smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C(N)=O)N1CCC[C@@H](C)C1 216197026 535451395 /nfs/dbraw/zinc/45/13/95/535451395.db2.gz PRVYMNOPRPEECO-BDAKNGLRSA-N 0 3 184.283 0.982 20 0 ACADHN CC(C)(C)[C@@H](CO)NCCF 18681670 537777879 /nfs/dbraw/zinc/77/78/79/537777879.db2.gz MQAYYDDLALXNRU-SSDOTTSWSA-N 0 3 163.236 0.953 20 0 ACADHN CC(C)(C)[C@H](CO)NCCF 18681672 537779438 /nfs/dbraw/zinc/77/94/38/537779438.db2.gz MQAYYDDLALXNRU-ZETCQYMHSA-N 0 3 163.236 0.953 20 0 ACADHN CCCNC(=O)[C@H](C)NCC 20314320 537784955 /nfs/dbraw/zinc/78/49/55/537784955.db2.gz YAZJBNHITRFYHO-ZETCQYMHSA-N 0 3 158.245 0.511 20 0 ACADHN CCCNC(=O)[C@@H](C)NCC 20314316 537784635 /nfs/dbraw/zinc/78/46/35/537784635.db2.gz YAZJBNHITRFYHO-SSDOTTSWSA-N 0 3 158.245 0.511 20 0 ACADHN CCN[C@@H](C)C(=O)NCC(C)C 20314309 537785025 /nfs/dbraw/zinc/78/50/25/537785025.db2.gz KAGKKYWESVWKOO-QMMMGPOBSA-N 0 3 172.272 0.757 20 0 ACADHN CCN[C@H](C)C(=O)NCC(C)C 20314312 537785392 /nfs/dbraw/zinc/78/53/92/537785392.db2.gz KAGKKYWESVWKOO-MRVPVSSYSA-N 0 3 172.272 0.757 20 0 ACADHN Cc1ccc(CN[C@H](C)C(N)=O)cc1 20309384 537785517 /nfs/dbraw/zinc/78/55/17/537785517.db2.gz QQFQJCQRGICHRJ-SECBINFHSA-N 0 3 192.262 0.958 20 0 ACADHN CCCCN(CC)CC(N)=O 32016259 537786059 /nfs/dbraw/zinc/78/60/59/537786059.db2.gz UUWGNJYQEXEOKR-UHFFFAOYSA-N 0 3 158.245 0.594 20 0 ACADHN CCN(CCOC)CCOC 32137267 537786962 /nfs/dbraw/zinc/78/69/62/537786962.db2.gz GPGSCEBBGUVLCN-UHFFFAOYSA-N 0 3 161.245 0.601 20 0 ACADHN CCCCN(CC)[C@H](C)C(N)=O 32023572 537787322 /nfs/dbraw/zinc/78/73/22/537787322.db2.gz AXRDUGKOSRWDOP-MRVPVSSYSA-N 0 3 172.272 0.982 20 0 ACADHN COCCN(CCOC)CCOC 31426673 537788259 /nfs/dbraw/zinc/78/82/59/537788259.db2.gz QYOCMIVPWWBWGX-UHFFFAOYSA-N 0 3 191.271 0.228 20 0 ACADHN CCCCN(CC)[C@@H](C)C(N)=O 32023569 537788685 /nfs/dbraw/zinc/78/86/85/537788685.db2.gz AXRDUGKOSRWDOP-QMMMGPOBSA-N 0 3 172.272 0.982 20 0 ACADHN CCCN(CCC)[C@@H](C)C(N)=O 32023564 537788812 /nfs/dbraw/zinc/78/88/12/537788812.db2.gz GHLGXENMMIAJSV-QMMMGPOBSA-N 0 3 172.272 0.982 20 0 ACADHN CNCC(=O)N(C)Cc1ccsc1 35124727 537798642 /nfs/dbraw/zinc/79/86/42/537798642.db2.gz WVIAXUKSJMXBQK-UHFFFAOYSA-N 0 3 198.291 0.926 20 0 ACADHN CCCN(CC1CC1)C(=O)CNC 35141383 537794568 /nfs/dbraw/zinc/79/45/68/537794568.db2.gz JUBGYMDRVKWGSS-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CN(CCCO)Cc1cccnc1 35141709 537795650 /nfs/dbraw/zinc/79/56/50/537795650.db2.gz NRGLWKWHZASUAY-UHFFFAOYSA-N 0 3 180.251 0.896 20 0 ACADHN Cc1ccccc1CN[C@H](C)C(N)=O 35141917 537797333 /nfs/dbraw/zinc/79/73/33/537797333.db2.gz ZATQGQKJHJYQAI-SECBINFHSA-N 0 3 192.262 0.958 20 0 ACADHN CN(CCCO)CCc1ccccn1 35116614 537798163 /nfs/dbraw/zinc/79/81/63/537798163.db2.gz NTHUKIBMUKRCPI-UHFFFAOYSA-N 0 3 194.278 0.938 20 0 ACADHN Cc1cccc(CN[C@H](C)C(N)=O)c1 35148784 537798203 /nfs/dbraw/zinc/79/82/03/537798203.db2.gz WKACHKJAPABDEM-SECBINFHSA-N 0 3 192.262 0.958 20 0 ACADHN NC(=O)CCNCc1ccc(O)cc1 36747084 537800223 /nfs/dbraw/zinc/80/02/23/537800223.db2.gz OIQOBACXOJIHRZ-UHFFFAOYSA-N 0 3 194.234 0.357 20 0 ACADHN NC(=O)CCNCc1ccsc1 36747041 537800697 /nfs/dbraw/zinc/80/06/97/537800697.db2.gz QJCGLBUAXMAEGP-UHFFFAOYSA-N 0 3 184.264 0.713 20 0 ACADHN NC(=O)CCNCc1cccc(O)c1 36746913 537800926 /nfs/dbraw/zinc/80/09/26/537800926.db2.gz BZAFCSJDAMUXKN-UHFFFAOYSA-N 0 3 194.234 0.357 20 0 ACADHN CC[C@@H](CO)NCc1c(C)n[nH]c1C 36864774 537803134 /nfs/dbraw/zinc/80/31/34/537803134.db2.gz NNGNVIYQXKPDAJ-VIFPVBQESA-N 0 3 197.282 0.887 20 0 ACADHN CC[C@H](CO)NCc1c(C)n[nH]c1C 36864775 537803275 /nfs/dbraw/zinc/80/32/75/537803275.db2.gz NNGNVIYQXKPDAJ-SECBINFHSA-N 0 3 197.282 0.887 20 0 ACADHN CCCN[C@@H](C)c1nncn1C 37017559 537805108 /nfs/dbraw/zinc/80/51/08/537805108.db2.gz WFROGTYRAOCCGQ-ZETCQYMHSA-N 0 3 168.244 0.876 20 0 ACADHN CC[C@@H](C)N(C)C(=O)CNC 37110290 537805831 /nfs/dbraw/zinc/80/58/31/537805831.db2.gz USRLVXSTXUAVKK-SSDOTTSWSA-N 0 3 158.245 0.463 20 0 ACADHN CNCC(=O)N(C)CC(C)C 37108601 537805950 /nfs/dbraw/zinc/80/59/50/537805950.db2.gz WKTOPSNZIANNPR-UHFFFAOYSA-N 0 3 158.245 0.320 20 0 ACADHN C[C@H](NCC1CC1)c1nncn1C 37017537 537806187 /nfs/dbraw/zinc/80/61/87/537806187.db2.gz FDVHUZTVADQCRK-ZETCQYMHSA-N 0 3 180.255 0.876 20 0 ACADHN C1Cc2nnc(CNCC3CC3)n2C1 36884471 537806918 /nfs/dbraw/zinc/80/69/18/537806918.db2.gz MLRAZGOBDKWTLF-UHFFFAOYSA-N 0 3 192.266 0.724 20 0 ACADHN CCCN(CC)C(=O)CNC 37095114 537807413 /nfs/dbraw/zinc/80/74/13/537807413.db2.gz NCRBTOHYEPJPBT-UHFFFAOYSA-N 0 3 158.245 0.464 20 0 ACADHN CCN(C)C(=O)CN[C@@H](C)COC 37223219 537810708 /nfs/dbraw/zinc/81/07/08/537810708.db2.gz KACQINGZIUTYGZ-QMMMGPOBSA-N 0 3 188.271 0.089 20 0 ACADHN CCN(C)C(=O)CN[C@H](C)COC 37223220 537812413 /nfs/dbraw/zinc/81/24/13/537812413.db2.gz KACQINGZIUTYGZ-MRVPVSSYSA-N 0 3 188.271 0.089 20 0 ACADHN CCC(=O)N[C@@H]1CCNC[C@H]1F 685946332 537815239 /nfs/dbraw/zinc/81/52/39/537815239.db2.gz PNSQIZPWGLAECT-RNFRBKRXSA-N 0 3 174.219 0.213 20 0 ACADHN O=C(N[C@H]1CCNC[C@@H]1F)C1CC1 685946516 537815280 /nfs/dbraw/zinc/81/52/80/537815280.db2.gz RWKZIQVOLMKBLE-YUMQZZPRSA-N 0 3 186.230 0.213 20 0 ACADHN CCC(=O)N[C@@H]1CCNC[C@@H]1F 685946331 537815438 /nfs/dbraw/zinc/81/54/38/537815438.db2.gz PNSQIZPWGLAECT-NKWVEPMBSA-N 0 3 174.219 0.213 20 0 ACADHN O=C(N[C@H]1CCNC[C@H]1F)C1CC1 685946515 537816213 /nfs/dbraw/zinc/81/62/13/537816213.db2.gz RWKZIQVOLMKBLE-SFYZADRCSA-N 0 3 186.230 0.213 20 0 ACADHN CCC(=O)N[C@H]1CCNC[C@@H]1F 685946330 537816453 /nfs/dbraw/zinc/81/64/53/537816453.db2.gz PNSQIZPWGLAECT-BQBZGAKWSA-N 0 3 174.219 0.213 20 0 ACADHN CCC(=O)N[C@H]1CCNC[C@H]1F 685946333 537816516 /nfs/dbraw/zinc/81/65/16/537816516.db2.gz PNSQIZPWGLAECT-RQJHMYQMSA-N 0 3 174.219 0.213 20 0 ACADHN O=C(N[C@@H]1CCNC[C@@H]1F)C1CC1 685946514 537817220 /nfs/dbraw/zinc/81/72/20/537817220.db2.gz RWKZIQVOLMKBLE-JGVFFNPUSA-N 0 3 186.230 0.213 20 0 ACADHN O=C(N[C@@H]1CCNC[C@H]1F)C1CC1 685946513 537817278 /nfs/dbraw/zinc/81/72/78/537817278.db2.gz RWKZIQVOLMKBLE-HTQZYQBOSA-N 0 3 186.230 0.213 20 0 ACADHN CNCC(=O)N(C)CC(F)(F)F 37664947 537820122 /nfs/dbraw/zinc/82/01/22/537820122.db2.gz GCHYDVSKGDALEF-UHFFFAOYSA-N 0 3 184.161 0.227 20 0 ACADHN C[C@H](CNCc1ccnn1C)N(C)C 38087804 537823649 /nfs/dbraw/zinc/82/36/49/537823649.db2.gz JHMLMYBDDZXZMW-SECBINFHSA-N 0 3 196.298 0.460 20 0 ACADHN C[C@@H](CNCc1ccnn1C)N(C)C 38087803 537823701 /nfs/dbraw/zinc/82/37/01/537823701.db2.gz JHMLMYBDDZXZMW-VIFPVBQESA-N 0 3 196.298 0.460 20 0 ACADHN CCc1ncc(CNCCO)s1 37924001 537823787 /nfs/dbraw/zinc/82/37/87/537823787.db2.gz DWRYELKMIKBVFQ-UHFFFAOYSA-N 0 3 186.280 0.787 20 0 ACADHN OC[C@@H](O)CNCc1cccc(F)c1 37884512 537824485 /nfs/dbraw/zinc/82/44/85/537824485.db2.gz UEYKNKQXIFLDCE-JTQLQIEISA-N 0 3 199.225 0.269 20 0 ACADHN C[C@H](CNCc1cnn(C)c1)N(C)C 38088046 537824860 /nfs/dbraw/zinc/82/48/60/537824860.db2.gz KHGKUTZAGLMIFM-SECBINFHSA-N 0 3 196.298 0.460 20 0 ACADHN CC(C)NCC(=O)N1CCC[C@@H]1C 37912070 537825178 /nfs/dbraw/zinc/82/51/78/537825178.db2.gz CMLGNINDJABMMM-VIFPVBQESA-N 0 3 184.283 0.995 20 0 ACADHN C[C@@H](CNCc1cnn(C)c1)N(C)C 38088045 537825340 /nfs/dbraw/zinc/82/53/40/537825340.db2.gz KHGKUTZAGLMIFM-VIFPVBQESA-N 0 3 196.298 0.460 20 0 ACADHN C[C@H](NCc1nncn1C)C1CC1 38007534 537825752 /nfs/dbraw/zinc/82/57/52/537825752.db2.gz UGRHFPHQSVQSFG-ZETCQYMHSA-N 0 3 180.255 0.703 20 0 ACADHN CC(C)NCC(=O)N1CCC[C@H]1C 37912069 537826917 /nfs/dbraw/zinc/82/69/17/537826917.db2.gz CMLGNINDJABMMM-SECBINFHSA-N 0 3 184.283 0.995 20 0 ACADHN CNCC(=O)NCCCC(C)C 38093891 537828407 /nfs/dbraw/zinc/82/84/07/537828407.db2.gz SKUJJZUNMHVKEB-UHFFFAOYSA-N 0 3 172.272 0.758 20 0 ACADHN CC(C)CN[C@@H](CO)c1cnn(C)c1 38122237 537829154 /nfs/dbraw/zinc/82/91/54/537829154.db2.gz KWJDLPGBYNDRNR-JTQLQIEISA-N 0 3 197.282 0.699 20 0 ACADHN CC(C)CN[C@H](CO)c1cnn(C)c1 38122238 537829952 /nfs/dbraw/zinc/82/99/52/537829952.db2.gz KWJDLPGBYNDRNR-SNVBAGLBSA-N 0 3 197.282 0.699 20 0 ACADHN CC[C@H](C)N[C@@H](CO)c1cnn(C)c1 38116621 537830111 /nfs/dbraw/zinc/83/01/11/537830111.db2.gz INMWOLXHHCSCND-WPRPVWTQSA-N 0 3 197.282 0.842 20 0 ACADHN Cn1cc([C@@H](CO)NCC2CC2)cn1 38125134 537831309 /nfs/dbraw/zinc/83/13/09/537831309.db2.gz VROAQUCMHDDULH-SNVBAGLBSA-N 0 3 195.266 0.453 20 0 ACADHN CC[C@H](C)N[C@H](CO)c1cnn(C)c1 38116623 537831329 /nfs/dbraw/zinc/83/13/29/537831329.db2.gz INMWOLXHHCSCND-WCBMZHEXSA-N 0 3 197.282 0.842 20 0 ACADHN OCCN[C@H](CO)c1ccccc1 38864236 537831343 /nfs/dbraw/zinc/83/13/43/537831343.db2.gz KEXGBOSJGWIYNE-SNVBAGLBSA-N 0 3 181.235 0.302 20 0 ACADHN CC[C@@H](C)N[C@H](CO)c1cnn(C)c1 38116622 537831355 /nfs/dbraw/zinc/83/13/55/537831355.db2.gz INMWOLXHHCSCND-PSASIEDQSA-N 0 3 197.282 0.842 20 0 ACADHN Cn1cc([C@H](CO)NCC2CC2)cn1 38125135 537831506 /nfs/dbraw/zinc/83/15/06/537831506.db2.gz VROAQUCMHDDULH-JTQLQIEISA-N 0 3 195.266 0.453 20 0 ACADHN CC(C)N[C@@H](CO)c1cnn(C)c1 38115811 537831576 /nfs/dbraw/zinc/83/15/76/537831576.db2.gz MKNWHLCZELZCKQ-VIFPVBQESA-N 0 3 183.255 0.452 20 0 ACADHN CC[C@@H](C)N[C@@H](CO)c1cnn(C)c1 38116620 537831901 /nfs/dbraw/zinc/83/19/01/537831901.db2.gz INMWOLXHHCSCND-SCZZXKLOSA-N 0 3 197.282 0.842 20 0 ACADHN OCCN[C@@H](CO)c1ccccc1 38864240 537832223 /nfs/dbraw/zinc/83/22/23/537832223.db2.gz KEXGBOSJGWIYNE-JTQLQIEISA-N 0 3 181.235 0.302 20 0 ACADHN CCCCOCCNC(=O)CNC 40507652 537835659 /nfs/dbraw/zinc/83/56/59/537835659.db2.gz SAURUPAJGOQYQY-UHFFFAOYSA-N 0 3 188.271 0.139 20 0 ACADHN CCOCCN1CCN(C)CC1 41363596 537839279 /nfs/dbraw/zinc/83/92/79/537839279.db2.gz ZHWWFCIIZYMJLZ-UHFFFAOYSA-N 0 3 172.272 0.270 20 0 ACADHN CC[C@H]1CO[C@@H](C)CN1CCCO 42224124 537840137 /nfs/dbraw/zinc/84/01/37/537840137.db2.gz KHLAGGUUXJDXOG-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H]1CO[C@H](C)CN1CCCO 42224118 537840779 /nfs/dbraw/zinc/84/07/79/537840779.db2.gz KHLAGGUUXJDXOG-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN CN(CCO)C[C@H]1CCCO1 42306880 537842106 /nfs/dbraw/zinc/84/21/06/537842106.db2.gz DJEGCQFFVSGMGE-MRVPVSSYSA-N 0 3 159.229 0.090 20 0 ACADHN CC[C@H]1CO[C@H](C)CN1CCCO 42224120 537842126 /nfs/dbraw/zinc/84/21/26/537842126.db2.gz KHLAGGUUXJDXOG-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H]1CO[C@@H](C)CN1CCCO 42224122 537842227 /nfs/dbraw/zinc/84/22/27/537842227.db2.gz KHLAGGUUXJDXOG-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN CN(CCO)C[C@@H]1CCCO1 42306877 537843887 /nfs/dbraw/zinc/84/38/87/537843887.db2.gz DJEGCQFFVSGMGE-QMMMGPOBSA-N 0 3 159.229 0.090 20 0 ACADHN C[C@H](NCCN(C)C)c1cnn(C)c1 44494185 537844792 /nfs/dbraw/zinc/84/47/92/537844792.db2.gz DWQJSIZUYPGRLB-VIFPVBQESA-N 0 3 196.298 0.632 20 0 ACADHN CCOC[C@H](C)NCC(=O)N(C)C 44724196 537853526 /nfs/dbraw/zinc/85/35/26/537853526.db2.gz HTTTYKYDTMOZAP-QMMMGPOBSA-N 0 3 188.271 0.089 20 0 ACADHN CCn1cc([C@@H](C)NC[C@@H](C)O)cn1 44495902 537850044 /nfs/dbraw/zinc/85/00/44/537850044.db2.gz KMCHNRWEMFDHON-RKDXNWHRSA-N 0 3 197.282 0.934 20 0 ACADHN CCn1cc([C@@H](C)N[C@@H](C)CO)cn1 44495912 537850221 /nfs/dbraw/zinc/85/02/21/537850221.db2.gz VPCYWKRUCCXQOX-DTWKUNHWSA-N 0 3 197.282 0.934 20 0 ACADHN CCn1cc([C@H](C)NCCO)cn1 44495729 537850426 /nfs/dbraw/zinc/85/04/26/537850426.db2.gz CMFUDXJQMPTCMY-QMMMGPOBSA-N 0 3 183.255 0.546 20 0 ACADHN CCn1cc([C@@H](C)N[C@H](C)CO)cn1 44495914 537851676 /nfs/dbraw/zinc/85/16/76/537851676.db2.gz VPCYWKRUCCXQOX-RKDXNWHRSA-N 0 3 197.282 0.934 20 0 ACADHN CCn1cc([C@H](C)NCCCO)cn1 44495446 537851760 /nfs/dbraw/zinc/85/17/60/537851760.db2.gz ZTXFOHJFJUZVKI-VIFPVBQESA-N 0 3 197.282 0.936 20 0 ACADHN CCn1cc([C@H](C)N[C@H](C)CO)cn1 44495915 537852090 /nfs/dbraw/zinc/85/20/90/537852090.db2.gz VPCYWKRUCCXQOX-BDAKNGLRSA-N 0 3 197.282 0.934 20 0 ACADHN CCn1cc([C@@H](C)NC[C@H](C)O)cn1 44495904 537852690 /nfs/dbraw/zinc/85/26/90/537852690.db2.gz KMCHNRWEMFDHON-DTWKUNHWSA-N 0 3 197.282 0.934 20 0 ACADHN CCn1cc([C@H](C)N[C@@H](C)CO)cn1 44495913 537853048 /nfs/dbraw/zinc/85/30/48/537853048.db2.gz VPCYWKRUCCXQOX-IUCAKERBSA-N 0 3 197.282 0.934 20 0 ACADHN CCn1cc([C@H](C)NC[C@@H](C)O)cn1 44495903 537853772 /nfs/dbraw/zinc/85/37/72/537853772.db2.gz KMCHNRWEMFDHON-BDAKNGLRSA-N 0 3 197.282 0.934 20 0 ACADHN CCn1cc([C@H](C)NC[C@H](C)O)cn1 44495905 537853969 /nfs/dbraw/zinc/85/39/69/537853969.db2.gz KMCHNRWEMFDHON-IUCAKERBSA-N 0 3 197.282 0.934 20 0 ACADHN CCn1cc([C@@H](C)NCCCO)cn1 44495445 537854561 /nfs/dbraw/zinc/85/45/61/537854561.db2.gz ZTXFOHJFJUZVKI-SECBINFHSA-N 0 3 197.282 0.936 20 0 ACADHN CCNC(=O)CN[C@H](C)COCC 44724188 537854852 /nfs/dbraw/zinc/85/48/52/537854852.db2.gz FEAZUGHTPMILSR-MRVPVSSYSA-N 0 3 188.271 0.137 20 0 ACADHN CN(CCCO)CCc1ccncc1 48260732 537857554 /nfs/dbraw/zinc/85/75/54/537857554.db2.gz RISIGAQDWGQOQR-UHFFFAOYSA-N 0 3 194.278 0.938 20 0 ACADHN C[C@H](O)CCCN1CCN(C)CC1 45619036 537858476 /nfs/dbraw/zinc/85/84/76/537858476.db2.gz KUZWWLAFIUYIGB-JTQLQIEISA-N 0 3 186.299 0.395 20 0 ACADHN CC(C)OCCN1CCC[C@H](O)C1 49773522 537858582 /nfs/dbraw/zinc/85/85/82/537858582.db2.gz WCWDVUHKZUOMFH-JTQLQIEISA-N 0 3 187.283 0.868 20 0 ACADHN CC(C)OCCN(C)CCO 49633832 537861064 /nfs/dbraw/zinc/86/10/64/537861064.db2.gz PJTCYVAAFHZAMI-UHFFFAOYSA-N 0 3 161.245 0.336 20 0 ACADHN Cn1nnc(CN)c1C1CCCC1 76604463 537869933 /nfs/dbraw/zinc/86/99/33/537869933.db2.gz LJCRKKHMKCLPQS-UHFFFAOYSA-N 0 3 180.255 0.931 20 0 ACADHN CC(C)C[C@H]1CS(=O)(=O)C[C@@H]1N 75119946 537870994 /nfs/dbraw/zinc/87/09/94/537870994.db2.gz NNNBHAXTUYOKBP-YUMQZZPRSA-N 0 3 191.296 0.404 20 0 ACADHN CNCc1cn(C)nc1OC 75067562 537871408 /nfs/dbraw/zinc/87/14/08/537871408.db2.gz SYCUIDHYMGQYSD-UHFFFAOYSA-N 0 3 155.201 0.148 20 0 ACADHN CC(C)C[C@H]1CS(=O)(=O)C[C@H]1N 75119952 537871669 /nfs/dbraw/zinc/87/16/69/537871669.db2.gz NNNBHAXTUYOKBP-JGVFFNPUSA-N 0 3 191.296 0.404 20 0 ACADHN CCC(=O)Nc1cccc(CN)n1 74379880 537872021 /nfs/dbraw/zinc/87/20/21/537872021.db2.gz KQRRHDZPVWNYGZ-UHFFFAOYSA-N 0 3 179.223 0.889 20 0 ACADHN CC(C)C[C@@H]1CS(=O)(=O)C[C@@H]1N 75119944 537872401 /nfs/dbraw/zinc/87/24/01/537872401.db2.gz NNNBHAXTUYOKBP-SFYZADRCSA-N 0 3 191.296 0.404 20 0 ACADHN O=Cc1cc(N2CCNCC2)cs1 75548236 537873209 /nfs/dbraw/zinc/87/32/09/537873209.db2.gz QAVJQBCMHZTGIW-UHFFFAOYSA-N 0 3 196.275 0.970 20 0 ACADHN CC(C)C[C@@H]1CS(=O)(=O)C[C@H]1N 75119950 537874075 /nfs/dbraw/zinc/87/40/75/537874075.db2.gz NNNBHAXTUYOKBP-HTQZYQBOSA-N 0 3 191.296 0.404 20 0 ACADHN CCS(=O)(=O)[C@H]1CCCC[C@@H]1N 81925756 537874728 /nfs/dbraw/zinc/87/47/28/537874728.db2.gz SOGSUCLNUSGHIV-YUMQZZPRSA-N 0 3 191.296 0.691 20 0 ACADHN CCS(=O)(=O)[C@@H]1CCCC[C@@H]1N 81925755 537875900 /nfs/dbraw/zinc/87/59/00/537875900.db2.gz SOGSUCLNUSGHIV-JGVFFNPUSA-N 0 3 191.296 0.691 20 0 ACADHN CCS(=O)(=O)[C@H]1CCCC[C@H]1N 81925760 537877093 /nfs/dbraw/zinc/87/70/93/537877093.db2.gz SOGSUCLNUSGHIV-SFYZADRCSA-N 0 3 191.296 0.691 20 0 ACADHN CCS(=O)(=O)[C@@H]1CCCC[C@H]1N 81925758 537878431 /nfs/dbraw/zinc/87/84/31/537878431.db2.gz SOGSUCLNUSGHIV-HTQZYQBOSA-N 0 3 191.296 0.691 20 0 ACADHN CCc1nocc1CN 82411403 537881861 /nfs/dbraw/zinc/88/18/61/537881861.db2.gz FQHQZIFLLOZBFI-UHFFFAOYSA-N 0 3 126.159 0.696 20 0 ACADHN NCc1ccc(C(N)=O)s1 82632136 537884641 /nfs/dbraw/zinc/88/46/41/537884641.db2.gz LGIOCFXHDCIQIW-UHFFFAOYSA-N 0 3 156.210 0.306 20 0 ACADHN COCc1nc2ccccn2c1CN 82636603 537884665 /nfs/dbraw/zinc/88/46/65/537884665.db2.gz QWGACMJZKQMIQH-UHFFFAOYSA-N 0 3 191.234 0.939 20 0 ACADHN C[C@H](O)CNCc1ccn(C)c1 82529131 537884763 /nfs/dbraw/zinc/88/47/63/537884763.db2.gz CMCNXTHYEBIIHW-QMMMGPOBSA-N 0 3 168.240 0.496 20 0 ACADHN CCNC(=O)c1ccc(CN)nc1 82634750 537885226 /nfs/dbraw/zinc/88/52/26/537885226.db2.gz OYBWMYHNFJHKMG-UHFFFAOYSA-N 0 3 179.223 0.290 20 0 ACADHN CN(C)CCN(C)C(=O)c1cn[nH]c1 82543575 537885444 /nfs/dbraw/zinc/88/54/44/537885444.db2.gz ZBAMWVKRBADLCP-UHFFFAOYSA-N 0 3 196.254 0.043 20 0 ACADHN C[C@H](CO)NCc1cc[nH]c1 82522500 537886285 /nfs/dbraw/zinc/88/62/85/537886285.db2.gz QVBVICUNOHVRIR-SSDOTTSWSA-N 0 3 154.213 0.485 20 0 ACADHN CC(C)NC(=O)c1ccc(CN)nc1 82637013 537886922 /nfs/dbraw/zinc/88/69/22/537886922.db2.gz OXSQMPPYUIXYGQ-UHFFFAOYSA-N 0 3 193.250 0.679 20 0 ACADHN C[C@H](N)C(=O)CC1CC1 82836176 537887877 /nfs/dbraw/zinc/88/78/77/537887877.db2.gz YKRABPYAJIYSLY-YFKPBYRVSA-N 0 3 127.187 0.703 20 0 ACADHN CNCC(=O)C1CCCC1 82838575 537888971 /nfs/dbraw/zinc/88/89/71/537888971.db2.gz CABBFPBEZRHTEX-UHFFFAOYSA-N 0 3 141.214 0.965 20 0 ACADHN NCc1cnc2n1CCS2 82844698 537888922 /nfs/dbraw/zinc/88/89/22/537888922.db2.gz XAPJCDOBECGJJZ-UHFFFAOYSA-N 0 3 155.226 0.448 20 0 ACADHN Cc1nn(C)nc1[C@@H](C)N 82838135 537889794 /nfs/dbraw/zinc/88/97/94/537889794.db2.gz SKOOSEMVQQPLSE-SCSAIBSYSA-N 0 3 140.190 0.143 20 0 ACADHN Cc1nn(C)nc1[C@H](C)N 82838136 537890972 /nfs/dbraw/zinc/89/09/72/537890972.db2.gz SKOOSEMVQQPLSE-BYPYZUCNSA-N 0 3 140.190 0.143 20 0 ACADHN CNCC(=O)C1CCOCC1 82846015 537891058 /nfs/dbraw/zinc/89/10/58/537891058.db2.gz IDXQDHZKFIWNBM-UHFFFAOYSA-N 0 3 157.213 0.202 20 0 ACADHN CNCC(=O)CC1CC1 82836174 537891187 /nfs/dbraw/zinc/89/11/87/537891187.db2.gz FWJBRLWPRGFCOQ-UHFFFAOYSA-N 0 3 127.187 0.575 20 0 ACADHN N[C@H]1c2ccccc2OC[C@H]1CO 82917927 537893421 /nfs/dbraw/zinc/89/34/21/537893421.db2.gz SHVSFODEFVZZHJ-GMSGAONNSA-N 0 3 179.219 0.687 20 0 ACADHN CCC(=O)CNC1CC1 83961969 537905064 /nfs/dbraw/zinc/90/50/64/537905064.db2.gz YLNPHKQNPWTLKK-UHFFFAOYSA-N 0 3 127.187 0.718 20 0 ACADHN CNCC(=O)Cc1ccco1 83962535 537906174 /nfs/dbraw/zinc/90/61/74/537906174.db2.gz DXEPQYHUNBVVNJ-UHFFFAOYSA-N 0 3 153.181 0.611 20 0 ACADHN NCc1ccc(CO)s1 84238821 537906405 /nfs/dbraw/zinc/90/64/05/537906405.db2.gz VFHIONCMFXMBCM-UHFFFAOYSA-N 0 3 143.211 0.699 20 0 ACADHN C[C@@H]1NCCc2ncn(C)c21 83962475 537906572 /nfs/dbraw/zinc/90/65/72/537906572.db2.gz SMMQECIARPWZTC-LURJTMIESA-N 0 3 151.213 0.627 20 0 ACADHN Cn1cnc2c1C(C)(C)NCC2 84259020 537906660 /nfs/dbraw/zinc/90/66/60/537906660.db2.gz ZMLQNZKQCOQMDR-UHFFFAOYSA-N 0 3 165.240 0.801 20 0 ACADHN O=C1CC2(CCCC2)NCCN1 84237238 537907177 /nfs/dbraw/zinc/90/71/77/537907177.db2.gz GWOXWDVUDPBEPO-UHFFFAOYSA-N 0 3 168.240 0.409 20 0 ACADHN C[C@H]1NCCc2ncn(C)c21 83962470 537907462 /nfs/dbraw/zinc/90/74/62/537907462.db2.gz SMMQECIARPWZTC-ZCFIWIBFSA-N 0 3 151.213 0.627 20 0 ACADHN Cn1cc(CN)c(Br)n1 84252900 537907603 /nfs/dbraw/zinc/90/76/03/537907603.db2.gz FAVWMQKRVQZDSN-UHFFFAOYSA-N 0 3 190.044 0.641 20 0 ACADHN NC(=O)[C@@H](N)C1CCCCCC1 84329677 537909047 /nfs/dbraw/zinc/90/90/47/537909047.db2.gz RSSASRXOSPLRDN-QMMMGPOBSA-N 0 3 170.256 0.769 20 0 ACADHN CC(=O)CNC1CC1 84425851 537909346 /nfs/dbraw/zinc/90/93/46/537909346.db2.gz GRPPKCFSKNPQLJ-UHFFFAOYSA-N 0 3 113.160 0.327 20 0 ACADHN NC(=O)[C@H](N)C1CCCCCC1 84329678 537911720 /nfs/dbraw/zinc/91/17/20/537911720.db2.gz RSSASRXOSPLRDN-MRVPVSSYSA-N 0 3 170.256 0.769 20 0 ACADHN Cc1cc(=O)n(CCN(C)C)cc1N 86237681 537930545 /nfs/dbraw/zinc/93/05/45/537930545.db2.gz NHHRSNIJMLGATO-UHFFFAOYSA-N 0 3 195.266 0.301 20 0 ACADHN Nc1cn(CCN2CCCCC2)nn1 86491492 537934840 /nfs/dbraw/zinc/93/48/40/537934840.db2.gz FGPSTTJXHOEZEC-UHFFFAOYSA-N 0 3 195.270 0.346 20 0 ACADHN C(=C1CNC1)C1CC1 86882184 537936741 /nfs/dbraw/zinc/93/67/41/537936741.db2.gz CYIUALCMDULUST-UHFFFAOYSA-N 0 3 109.172 0.926 20 0 ACADHN CCP1(=O)CCNCC1 88190032 537940653 /nfs/dbraw/zinc/94/06/53/537940653.db2.gz SXFMWXALCPNMDD-UHFFFAOYSA-N 0 3 147.158 0.973 20 0 ACADHN NC1(C(=O)N2CCCOCC2)CCC1 88051090 537942285 /nfs/dbraw/zinc/94/22/85/537942285.db2.gz NSMDJWZIMZZSPG-UHFFFAOYSA-N 0 3 198.266 0.117 20 0 ACADHN C[C@@H](CCO)NCc1ccccn1 96811750 537945648 /nfs/dbraw/zinc/94/56/48/537945648.db2.gz JXSDIOPVEBMREO-VIFPVBQESA-N 0 3 180.251 0.942 20 0 ACADHN C[C@H](CCO)NCc1ccccn1 96811751 537946413 /nfs/dbraw/zinc/94/64/13/537946413.db2.gz JXSDIOPVEBMREO-SECBINFHSA-N 0 3 180.251 0.942 20 0 ACADHN CC(=O)N[C@@H](C)CN(C)C 96578187 537946644 /nfs/dbraw/zinc/94/66/44/537946644.db2.gz AFVQXNYRIMCAAV-LURJTMIESA-N 0 3 144.218 0.073 20 0 ACADHN CC(=O)[C@@H](N)C1CC1 104675064 537955282 /nfs/dbraw/zinc/95/52/82/537955282.db2.gz DFKNWIILXKBMNL-ZCFIWIBFSA-N 0 3 113.160 0.313 20 0 ACADHN CC(=O)[C@H](N)C1CC1 104675060 537955557 /nfs/dbraw/zinc/95/55/57/537955557.db2.gz DFKNWIILXKBMNL-LURJTMIESA-N 0 3 113.160 0.313 20 0 ACADHN CC(=O)[C@@H](N)C1CCC1 104674399 537955962 /nfs/dbraw/zinc/95/59/62/537955962.db2.gz MXCJVVFAZMKMRT-SSDOTTSWSA-N 0 3 127.187 0.703 20 0 ACADHN CC(=O)[C@H](N)C1CCC1 104674394 537956012 /nfs/dbraw/zinc/95/60/12/537956012.db2.gz MXCJVVFAZMKMRT-ZETCQYMHSA-N 0 3 127.187 0.703 20 0 ACADHN F[C@H]1CNCC[C@@H]1N1CCOCC1 107272525 537957293 /nfs/dbraw/zinc/95/72/93/537957293.db2.gz JFXIERVQQQVKBH-IUCAKERBSA-N 0 3 188.246 0.019 20 0 ACADHN F[C@@H]1CNCC[C@H]1N1CCOCC1 107272522 537958144 /nfs/dbraw/zinc/95/81/44/537958144.db2.gz JFXIERVQQQVKBH-RKDXNWHRSA-N 0 3 188.246 0.019 20 0 ACADHN F[C@@H]1CNCC[C@@H]1N1CCOCC1 107272529 537958261 /nfs/dbraw/zinc/95/82/61/537958261.db2.gz JFXIERVQQQVKBH-BDAKNGLRSA-N 0 3 188.246 0.019 20 0 ACADHN CC(C)n1nc2c(c1N)CNCC2 107299945 537958290 /nfs/dbraw/zinc/95/82/90/537958290.db2.gz AZAVKMMEEBFQDI-UHFFFAOYSA-N 0 3 180.255 0.692 20 0 ACADHN COC[C@@H](CO)NCc1ccccc1 107138656 537958775 /nfs/dbraw/zinc/95/87/75/537958775.db2.gz LBOUOCCAFPDSJH-LLVKDONJSA-N 0 3 195.262 0.784 20 0 ACADHN COC[C@H](CO)NCc1ccccc1 107138658 537959529 /nfs/dbraw/zinc/95/95/29/537959529.db2.gz LBOUOCCAFPDSJH-NSHDSACASA-N 0 3 195.262 0.784 20 0 ACADHN CNCc1cccc2[nH]c(=O)oc12 107336854 537963989 /nfs/dbraw/zinc/96/39/89/537963989.db2.gz MXAIJAYSRWSAIX-UHFFFAOYSA-N 0 3 178.191 0.841 20 0 ACADHN CC(C)NCc1cn(C)cn1 113138443 537965689 /nfs/dbraw/zinc/96/56/89/537965689.db2.gz MKJDSKAWPOFVLL-UHFFFAOYSA-N 0 3 153.229 0.918 20 0 ACADHN CCCN1CCN(CCOC)CC1 114604129 537967414 /nfs/dbraw/zinc/96/74/14/537967414.db2.gz MOANZBCNSVRNTK-UHFFFAOYSA-N 0 3 186.299 0.660 20 0 ACADHN CCC(=O)[C@@H](N)C1CC1 114626402 537967566 /nfs/dbraw/zinc/96/75/66/537967566.db2.gz MHCDXCDUHMGWJL-ZETCQYMHSA-N 0 3 127.187 0.703 20 0 ACADHN OCC12CCN(CC1)C2 114171150 537967765 /nfs/dbraw/zinc/96/77/65/537967765.db2.gz JKHYDWDWUOPAFD-UHFFFAOYSA-N 0 3 127.187 0.075 20 0 ACADHN CCN1CCN(CCOC)CC1 114601586 537967950 /nfs/dbraw/zinc/96/79/50/537967950.db2.gz MDJNDNHSHADCSR-UHFFFAOYSA-N 0 3 172.272 0.270 20 0 ACADHN COC(=O)c1ccc2c(n1)CNCC2 114453415 537968562 /nfs/dbraw/zinc/96/85/62/537968562.db2.gz MDHWILCUHZPVHE-UHFFFAOYSA-N 0 3 192.218 0.514 20 0 ACADHN F[C@@H]1CNCC[C@@H]1N1CCCC1 117727145 537971173 /nfs/dbraw/zinc/97/11/73/537971173.db2.gz MVMMIILUFKFCNK-BDAKNGLRSA-N 0 3 172.247 0.782 20 0 ACADHN F[C@@H]1CNCC[C@H]1N1CCCC1 117727148 537971347 /nfs/dbraw/zinc/97/13/47/537971347.db2.gz MVMMIILUFKFCNK-RKDXNWHRSA-N 0 3 172.247 0.782 20 0 ACADHN CC(C)(C)OC(=O)N1C[C@@H](N)CO1 117785225 537972762 /nfs/dbraw/zinc/97/27/62/537972762.db2.gz UEMZDFXRHGXLOO-ZCFIWIBFSA-N 0 3 188.227 0.496 20 0 ACADHN CCC(=O)C[C@@H]1COCCN1 118769975 537974132 /nfs/dbraw/zinc/97/41/32/537974132.db2.gz ZPZBKUSHKWUHAL-SSDOTTSWSA-N 0 3 157.213 0.344 20 0 ACADHN CCC(=O)C[C@H]1COCCN1 118769978 537974832 /nfs/dbraw/zinc/97/48/32/537974832.db2.gz ZPZBKUSHKWUHAL-ZETCQYMHSA-N 0 3 157.213 0.344 20 0 ACADHN CCC(=O)C[C@H]1CNCCO1 124232594 537976062 /nfs/dbraw/zinc/97/60/62/537976062.db2.gz BXQWAMZVGJPGSP-QMMMGPOBSA-N 0 3 157.213 0.344 20 0 ACADHN CC(C)C(=O)C[C@@H]1COC[C@H](C)N1 124437128 537976086 /nfs/dbraw/zinc/97/60/86/537976086.db2.gz ASVFDXALQCXCLQ-DTWKUNHWSA-N 0 3 185.267 0.979 20 0 ACADHN CCC(=O)[C@H]1C[C@@H](OC)CN1 124089173 537978074 /nfs/dbraw/zinc/97/80/74/537978074.db2.gz SCCRJOMQOBJIMQ-RNFRBKRXSA-N 0 3 157.213 0.342 20 0 ACADHN CCC(=O)C1(N)CCOCC1 124318775 537978149 /nfs/dbraw/zinc/97/81/49/537978149.db2.gz QXURWHXTZNPNBZ-UHFFFAOYSA-N 0 3 157.213 0.473 20 0 ACADHN CCC(=O)C[C@@H]1CNCCO1 124232404 537978498 /nfs/dbraw/zinc/97/84/98/537978498.db2.gz BXQWAMZVGJPGSP-MRVPVSSYSA-N 0 3 157.213 0.344 20 0 ACADHN C[C@@H]1COC[C@@H](CC(=O)C2CC2)N1 124432311 537978562 /nfs/dbraw/zinc/97/85/62/537978562.db2.gz KRKDRPVKUPMSAB-VXNVDRBHSA-N 0 3 183.251 0.733 20 0 ACADHN CC(C)C(=O)C[C@@H]1COC[C@@H](C)N1 124436904 537978680 /nfs/dbraw/zinc/97/86/80/537978680.db2.gz ASVFDXALQCXCLQ-RKDXNWHRSA-N 0 3 185.267 0.979 20 0 ACADHN CC(C)C(=O)C[C@H]1COC[C@H](C)N1 124436727 537978878 /nfs/dbraw/zinc/97/88/78/537978878.db2.gz ASVFDXALQCXCLQ-IUCAKERBSA-N 0 3 185.267 0.979 20 0 ACADHN C[C@@H]1COC[C@H]([C@@H]2CCCC2=O)N1 124433715 537978920 /nfs/dbraw/zinc/97/89/20/537978920.db2.gz DYLXOFWCLHBMOE-HRDYMLBCSA-N 0 3 183.251 0.733 20 0 ACADHN CC(C)C(=O)C[C@H]1COC[C@@H](C)N1 124436478 537978941 /nfs/dbraw/zinc/97/89/41/537978941.db2.gz ASVFDXALQCXCLQ-BDAKNGLRSA-N 0 3 185.267 0.979 20 0 ACADHN CCC(=O)[C@H]1C[C@H](OC)CN1 124088703 537979004 /nfs/dbraw/zinc/97/90/04/537979004.db2.gz SCCRJOMQOBJIMQ-NKWVEPMBSA-N 0 3 157.213 0.342 20 0 ACADHN C[C@@H]1COC[C@H](CC(=O)C2CC2)N1 124432016 537979035 /nfs/dbraw/zinc/97/90/35/537979035.db2.gz KRKDRPVKUPMSAB-APPZFPTMSA-N 0 3 183.251 0.733 20 0 ACADHN CCC(=O)[C@@H]1C[C@H](OC)CN1 124088466 537979237 /nfs/dbraw/zinc/97/92/37/537979237.db2.gz SCCRJOMQOBJIMQ-BQBZGAKWSA-N 0 3 157.213 0.342 20 0 ACADHN CCC(=O)[C@@H]1C[C@@H](OC)CN1 124089017 537979463 /nfs/dbraw/zinc/97/94/63/537979463.db2.gz SCCRJOMQOBJIMQ-RQJHMYQMSA-N 0 3 157.213 0.342 20 0 ACADHN C[C@H]1COC[C@H](CC(=O)C2CC2)N1 124432224 537979698 /nfs/dbraw/zinc/97/96/98/537979698.db2.gz KRKDRPVKUPMSAB-CBAPKCEASA-N 0 3 183.251 0.733 20 0 ACADHN C[C@@H]1COC[C@@H]([C@@H]2CCCC2=O)N1 124434125 537979864 /nfs/dbraw/zinc/97/98/64/537979864.db2.gz DYLXOFWCLHBMOE-VGMNWLOBSA-N 0 3 183.251 0.733 20 0 ACADHN C[C@@H]1COC[C@@H]([C@@H](C)C(=O)C2CC2)N1 130351132 537984857 /nfs/dbraw/zinc/98/48/57/537984857.db2.gz FBNRZEPRAJDNDB-MRTMQBJTSA-N 0 3 197.278 0.979 20 0 ACADHN C[C@@H]1COC[C@H]([C@@H](C)C(=O)C2CC2)N1 130350724 537985906 /nfs/dbraw/zinc/98/59/06/537985906.db2.gz FBNRZEPRAJDNDB-NQMVMOMDSA-N 0 3 197.278 0.979 20 0 ACADHN Cc1cncc(NCCN(C)C)n1 141258373 537996308 /nfs/dbraw/zinc/99/63/08/537996308.db2.gz LPZWJUOJSZGCCJ-UHFFFAOYSA-N 0 3 180.255 0.759 20 0 ACADHN Cc1ccccc1[C@@H](CO)NCCO 145620712 537997923 /nfs/dbraw/zinc/99/79/23/537997923.db2.gz IUSJCJAINAJUGF-LLVKDONJSA-N 0 3 195.262 0.610 20 0 ACADHN Cc1ccccc1[C@H](CO)NCCO 145620903 537999859 /nfs/dbraw/zinc/99/98/59/537999859.db2.gz IUSJCJAINAJUGF-NSHDSACASA-N 0 3 195.262 0.610 20 0 ACADHN COCCN1CCN(C(C)C)CC1 145852828 537999962 /nfs/dbraw/zinc/99/99/62/537999962.db2.gz HTRVDNNUSRRHDG-UHFFFAOYSA-N 0 3 186.299 0.659 20 0 ACADHN CCCN(C)CC(=O)NC 147507049 538002469 /nfs/dbraw/zinc/00/24/69/538002469.db2.gz NCRBNAVDAXTTIY-UHFFFAOYSA-N 0 3 144.218 0.074 20 0 ACADHN CC(C)N1CCN(CCF)CC1 147312357 538003602 /nfs/dbraw/zinc/00/36/02/538003602.db2.gz STJHPRPABHMIBW-UHFFFAOYSA-N 0 3 174.263 0.982 20 0 ACADHN C[C@@H]1C[C@H]1C(=O)N1CCNC(C)(C)C1 148072051 538003934 /nfs/dbraw/zinc/00/39/34/538003934.db2.gz RZIDDKIDSMPFKM-RKDXNWHRSA-N 0 3 196.294 0.853 20 0 ACADHN CC(C)NCC(=O)NCC(F)F 147699624 538003950 /nfs/dbraw/zinc/00/39/50/538003950.db2.gz YRJANMSVJFTHSK-UHFFFAOYSA-N 0 3 180.198 0.366 20 0 ACADHN CNC1(C(C)=O)CCC1 147635317 538004110 /nfs/dbraw/zinc/00/41/10/538004110.db2.gz IIFHORAABXNHPD-UHFFFAOYSA-N 0 3 127.187 0.718 20 0 ACADHN CC(C)COCCN(C)CCO 147520565 538004449 /nfs/dbraw/zinc/00/44/49/538004449.db2.gz VQNZUAWBHDNCEQ-UHFFFAOYSA-N 0 3 175.272 0.583 20 0 ACADHN C[C@H]1C[C@H]1C(=O)N1CCNC(C)(C)C1 148072252 538005368 /nfs/dbraw/zinc/00/53/68/538005368.db2.gz RZIDDKIDSMPFKM-DTWKUNHWSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@@H]1C[C@@H]1C(=O)N1CCNC(C)(C)C1 148071654 538005401 /nfs/dbraw/zinc/00/54/01/538005401.db2.gz RZIDDKIDSMPFKM-BDAKNGLRSA-N 0 3 196.294 0.853 20 0 ACADHN CCCN1CCN(c2ncc[nH]2)CC1 148556713 538008122 /nfs/dbraw/zinc/00/81/22/538008122.db2.gz ARTCIAAHWDLSBQ-UHFFFAOYSA-N 0 3 194.282 0.942 20 0 ACADHN C[C@@H](CCCO)NCc1ccn(C)n1 149743052 538008499 /nfs/dbraw/zinc/00/84/99/538008499.db2.gz BLJMRFIHOVYIIB-VIFPVBQESA-N 0 3 197.282 0.671 20 0 ACADHN CN(CCO)[C@H](CO)c1ccccc1 149749373 538008574 /nfs/dbraw/zinc/00/85/74/538008574.db2.gz CJEPVYCITMECFM-LLVKDONJSA-N 0 3 195.262 0.644 20 0 ACADHN C[C@H](CCCO)NCc1ccn(C)n1 149743262 538008781 /nfs/dbraw/zinc/00/87/81/538008781.db2.gz BLJMRFIHOVYIIB-SECBINFHSA-N 0 3 197.282 0.671 20 0 ACADHN CN(CCO)[C@@H](CO)c1ccccc1 149749159 538010097 /nfs/dbraw/zinc/01/00/97/538010097.db2.gz CJEPVYCITMECFM-NSHDSACASA-N 0 3 195.262 0.644 20 0 ACADHN CC[C@H](C(=O)N(C)C)N(C)C 150073690 538014539 /nfs/dbraw/zinc/01/45/39/538014539.db2.gz FBSJWHDOIAYXFA-SSDOTTSWSA-N 0 3 158.245 0.415 20 0 ACADHN CC[C@@H](C(=O)N(C)C)N(C)C 150073903 538015718 /nfs/dbraw/zinc/01/57/18/538015718.db2.gz FBSJWHDOIAYXFA-ZETCQYMHSA-N 0 3 158.245 0.415 20 0 ACADHN Cc1n[nH]cc1CNC1(CO)CCC1 157492131 538022136 /nfs/dbraw/zinc/02/21/36/538022136.db2.gz UNEMRPAHDWJDHI-UHFFFAOYSA-N 0 3 195.266 0.723 20 0 ACADHN Cn1cc(CNC2(CO)CCC2)cn1 157490858 538024173 /nfs/dbraw/zinc/02/41/73/538024173.db2.gz MDLZODWFXBKFPS-UHFFFAOYSA-N 0 3 195.266 0.425 20 0 ACADHN Cn1cncc1CNC1(CO)CCC1 157499207 538025549 /nfs/dbraw/zinc/02/55/49/538025549.db2.gz SOTOFAZRANIESL-UHFFFAOYSA-N 0 3 195.266 0.425 20 0 ACADHN Cn1nccc1CNC1(CO)CCC1 157499375 538025823 /nfs/dbraw/zinc/02/58/23/538025823.db2.gz GSQSNQDPNWNKER-UHFFFAOYSA-N 0 3 195.266 0.425 20 0 ACADHN C[C@@H](CN(C)C)NCc1cnn(C)c1 159068226 538030020 /nfs/dbraw/zinc/03/00/20/538030020.db2.gz JHHXYQJOZDEGNH-VIFPVBQESA-N 0 3 196.298 0.460 20 0 ACADHN CN(C)CCNc1ncc(F)cn1 159219601 538030189 /nfs/dbraw/zinc/03/01/89/538030189.db2.gz FCZBFWOTYFSDAS-UHFFFAOYSA-N 0 3 184.218 0.589 20 0 ACADHN C[C@H](CO)N(C)CCc1cccnc1 159127818 538030443 /nfs/dbraw/zinc/03/04/43/538030443.db2.gz HXVZBYWETREJDN-SNVBAGLBSA-N 0 3 194.278 0.937 20 0 ACADHN C[C@@H](CN(C)C)NCc1cc[nH]n1 159083748 538030465 /nfs/dbraw/zinc/03/04/65/538030465.db2.gz SSEAFKSAGXAXBW-QMMMGPOBSA-N 0 3 182.271 0.449 20 0 ACADHN C[C@H](CO)N(C)Cc1ccncc1 159135612 538030649 /nfs/dbraw/zinc/03/06/49/538030649.db2.gz NHZHPIJXAHVBFZ-SECBINFHSA-N 0 3 180.251 0.894 20 0 ACADHN C[C@@H](CN(C)C)NCc1ccnn1C 159076280 538030740 /nfs/dbraw/zinc/03/07/40/538030740.db2.gz OCHYAWSEJQWMHC-VIFPVBQESA-N 0 3 196.298 0.460 20 0 ACADHN Cn1nncc1CNC1(C)CCC1 159991379 538038585 /nfs/dbraw/zinc/03/85/85/538038585.db2.gz PZTAINCMHJFWKP-UHFFFAOYSA-N 0 3 180.255 0.847 20 0 ACADHN C[C@H]1OCC[C@@H]1NCc1cnnn1C 160694257 538048025 /nfs/dbraw/zinc/04/80/25/538048025.db2.gz QGMMJPHSWUOVHD-APPZFPTMSA-N 0 3 196.254 0.082 20 0 ACADHN C[C@@H]1OCC[C@@H]1NCc1cnnn1C 160694367 538048306 /nfs/dbraw/zinc/04/83/06/538048306.db2.gz QGMMJPHSWUOVHD-CBAPKCEASA-N 0 3 196.254 0.082 20 0 ACADHN C[C@@H]1OCC[C@H]1NCc1cnnn1C 160694136 538050411 /nfs/dbraw/zinc/05/04/11/538050411.db2.gz QGMMJPHSWUOVHD-IONNQARKSA-N 0 3 196.254 0.082 20 0 ACADHN C[C@@](CO)(NCCO)c1ccccc1 162055730 538068090 /nfs/dbraw/zinc/06/80/90/538068090.db2.gz OMTIQPVKPSRJJJ-NSHDSACASA-N 0 3 195.262 0.476 20 0 ACADHN C[C@](CO)(NCCO)c1ccccc1 162055605 538068225 /nfs/dbraw/zinc/06/82/25/538068225.db2.gz OMTIQPVKPSRJJJ-LLVKDONJSA-N 0 3 195.262 0.476 20 0 ACADHN O[C@H]1CN([C@@H]2C=CCCC2)C[C@H]1O 162078833 538068857 /nfs/dbraw/zinc/06/88/57/538068857.db2.gz DNQPXWXIJYYMMR-BBBLOLIVSA-N 0 3 183.251 0.133 20 0 ACADHN CCS(=O)(=O)C[C@@H](C)NC(C)C 162215525 538069914 /nfs/dbraw/zinc/06/99/14/538069914.db2.gz VFJZWDNRJKSHHG-MRVPVSSYSA-N 0 3 193.312 0.808 20 0 ACADHN O[C@H]1CN([C@H]2C=CCCC2)C[C@H]1O 162078722 538070274 /nfs/dbraw/zinc/07/02/74/538070274.db2.gz DNQPXWXIJYYMMR-LPEHRKFASA-N 0 3 183.251 0.133 20 0 ACADHN CCS(=O)(=O)C[C@H](C)NC(C)C 162215651 538070626 /nfs/dbraw/zinc/07/06/26/538070626.db2.gz VFJZWDNRJKSHHG-QMMMGPOBSA-N 0 3 193.312 0.808 20 0 ACADHN CCn1nccc1CNC[C@@H](C)CO 162685884 538072360 /nfs/dbraw/zinc/07/23/60/538072360.db2.gz URUCCXDBJNNOBW-SECBINFHSA-N 0 3 197.282 0.621 20 0 ACADHN CCn1nccc1CN[C@H]1CCOC1 162713882 538073926 /nfs/dbraw/zinc/07/39/26/538073926.db2.gz UKGKKDGVRFESMQ-VIFPVBQESA-N 0 3 195.266 0.782 20 0 ACADHN CCn1nccc1CN[C@@H](C)CCO 162704578 538074613 /nfs/dbraw/zinc/07/46/13/538074613.db2.gz AJKZXGXNWFZOIP-VIFPVBQESA-N 0 3 197.282 0.764 20 0 ACADHN CCn1nccc1CNC[C@H](C)CO 162686018 538075094 /nfs/dbraw/zinc/07/50/94/538075094.db2.gz URUCCXDBJNNOBW-VIFPVBQESA-N 0 3 197.282 0.621 20 0 ACADHN CO[C@@H](C)[C@@H](C)NCC(=O)N(C)C 163003431 538076587 /nfs/dbraw/zinc/07/65/87/538076587.db2.gz MEDUXXIMYSJECH-SFYZADRCSA-N 0 3 188.271 0.088 20 0 ACADHN CCOC1CC(N[C@H](C)C(N)=O)C1 162840916 538076687 /nfs/dbraw/zinc/07/66/87/538076687.db2.gz KIJWSNRCVRHCCX-JECWYVHBSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@@H]1CC[C@@H](CN(C)CCO)O1 162890178 538076774 /nfs/dbraw/zinc/07/67/74/538076774.db2.gz JZNOYBUERSYLQO-BDAKNGLRSA-N 0 3 173.256 0.478 20 0 ACADHN CO[C@H](C)[C@@H](C)NCC(=O)N(C)C 163003212 538076952 /nfs/dbraw/zinc/07/69/52/538076952.db2.gz MEDUXXIMYSJECH-HTQZYQBOSA-N 0 3 188.271 0.088 20 0 ACADHN CO[C@H](C)[C@H](C)NCC(=O)N(C)C 163003131 538078026 /nfs/dbraw/zinc/07/80/26/538078026.db2.gz MEDUXXIMYSJECH-JGVFFNPUSA-N 0 3 188.271 0.088 20 0 ACADHN C[C@H]1CC[C@@H](CN(C)CCO)O1 162890320 538078241 /nfs/dbraw/zinc/07/82/41/538078241.db2.gz JZNOYBUERSYLQO-IUCAKERBSA-N 0 3 173.256 0.478 20 0 ACADHN CO[C@@H](C)[C@H](C)NCC(=O)N(C)C 163003320 538078349 /nfs/dbraw/zinc/07/83/49/538078349.db2.gz MEDUXXIMYSJECH-YUMQZZPRSA-N 0 3 188.271 0.088 20 0 ACADHN C[C@H]1CC[C@H](CN(C)CCO)O1 162890053 538078983 /nfs/dbraw/zinc/07/89/83/538078983.db2.gz JZNOYBUERSYLQO-DTWKUNHWSA-N 0 3 173.256 0.478 20 0 ACADHN C[C@@H]1CC[C@H](CN(C)CCO)O1 162889948 538079065 /nfs/dbraw/zinc/07/90/65/538079065.db2.gz JZNOYBUERSYLQO-RKDXNWHRSA-N 0 3 173.256 0.478 20 0 ACADHN CNC[C@@H](O)C(Cl)(Cl)Cl 163694473 538135634 /nfs/dbraw/zinc/13/56/34/538135634.db2.gz OCRQZETYESAYCR-GSVOUGTGSA-N 0 3 192.473 0.937 20 0 ACADHN C[C@@H](O)C[C@@H](C)NCc1cnnn1C 163958763 538135773 /nfs/dbraw/zinc/13/57/73/538135773.db2.gz YPUAHDYDDBQELI-HTQZYQBOSA-N 0 3 198.270 0.064 20 0 ACADHN CO[C@H](C)CN(CCO)C1CC1 164049479 538135929 /nfs/dbraw/zinc/13/59/29/538135929.db2.gz KWCCGJBXYNNTOE-MRVPVSSYSA-N 0 3 173.256 0.478 20 0 ACADHN CO[C@@H](C)CN(CCO)C1CC1 164049370 538136410 /nfs/dbraw/zinc/13/64/10/538136410.db2.gz KWCCGJBXYNNTOE-QMMMGPOBSA-N 0 3 173.256 0.478 20 0 ACADHN C[C@H](O)C[C@@H](C)NCc1cnnn1C 163958965 538136494 /nfs/dbraw/zinc/13/64/94/538136494.db2.gz YPUAHDYDDBQELI-SFYZADRCSA-N 0 3 198.270 0.064 20 0 ACADHN CNC[C@H](O)C(Cl)(Cl)Cl 163694356 538136652 /nfs/dbraw/zinc/13/66/52/538136652.db2.gz OCRQZETYESAYCR-VKHMYHEASA-N 0 3 192.473 0.937 20 0 ACADHN CO[C@H](C)C(=O)N[C@@H](C)CN(C)C 163958129 538137129 /nfs/dbraw/zinc/13/71/29/538137129.db2.gz SLKJITQEWKIJRY-JGVFFNPUSA-N 0 3 188.271 0.088 20 0 ACADHN C[C@@H](C[C@@H](C)O)NCc1cnnn1C 163958654 538138229 /nfs/dbraw/zinc/13/82/29/538138229.db2.gz YPUAHDYDDBQELI-JGVFFNPUSA-N 0 3 198.270 0.064 20 0 ACADHN CO[C@@H](C)C(=O)N[C@@H](C)CN(C)C 163958343 538138373 /nfs/dbraw/zinc/13/83/73/538138373.db2.gz SLKJITQEWKIJRY-YUMQZZPRSA-N 0 3 188.271 0.088 20 0 ACADHN C[C@H](O)C[C@H](C)NCc1cnnn1C 163958851 538138878 /nfs/dbraw/zinc/13/88/78/538138878.db2.gz YPUAHDYDDBQELI-YUMQZZPRSA-N 0 3 198.270 0.064 20 0 ACADHN CCC(=O)CNCC1CC1 164304634 538142319 /nfs/dbraw/zinc/14/23/19/538142319.db2.gz YRDVDUXFVFDLJS-UHFFFAOYSA-N 0 3 141.214 0.965 20 0 ACADHN CC[C@H](O)CN[C@@H](C)c1cnn(C)c1 164572355 538142972 /nfs/dbraw/zinc/14/29/72/538142972.db2.gz GILIHEJMGKMUPK-WPRPVWTQSA-N 0 3 197.282 0.842 20 0 ACADHN CC[C@@H](O)CN[C@H](C)c1cnn(C)c1 164572715 538143111 /nfs/dbraw/zinc/14/31/11/538143111.db2.gz GILIHEJMGKMUPK-PSASIEDQSA-N 0 3 197.282 0.842 20 0 ACADHN Cc1n[nH]cc1CN[C@@H](C)C[C@H](C)O 164525234 538143224 /nfs/dbraw/zinc/14/32/24/538143224.db2.gz IBIURLQXTPGXRZ-YUMQZZPRSA-N 0 3 197.282 0.967 20 0 ACADHN C[C@H](O)C[C@H](C)NCc1ccnn1C 164524699 538143291 /nfs/dbraw/zinc/14/32/91/538143291.db2.gz VGSRSAWKVMBGFV-IUCAKERBSA-N 0 3 197.282 0.669 20 0 ACADHN C[C@@H](O)C[C@@H](C)NCc1ccnn1C 164524560 538143641 /nfs/dbraw/zinc/14/36/41/538143641.db2.gz VGSRSAWKVMBGFV-RKDXNWHRSA-N 0 3 197.282 0.669 20 0 ACADHN Cc1n[nH]cc1CN[C@@H](C)C[C@@H](C)O 164524993 538143731 /nfs/dbraw/zinc/14/37/31/538143731.db2.gz IBIURLQXTPGXRZ-JGVFFNPUSA-N 0 3 197.282 0.967 20 0 ACADHN C[C@@H](C[C@@H](C)O)NCc1cnn(C)c1 164470737 538143871 /nfs/dbraw/zinc/14/38/71/538143871.db2.gz MWAXNRYAFYUONK-DTWKUNHWSA-N 0 3 197.282 0.669 20 0 ACADHN CC[C@@H](O)CN[C@@H](C)c1cnn(C)c1 164572474 538143926 /nfs/dbraw/zinc/14/39/26/538143926.db2.gz GILIHEJMGKMUPK-WCBMZHEXSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@@H](O)C[C@@H](C)NCc1cnn(C)c1 164470862 538144354 /nfs/dbraw/zinc/14/43/54/538144354.db2.gz MWAXNRYAFYUONK-RKDXNWHRSA-N 0 3 197.282 0.669 20 0 ACADHN CC[C@H](O)CN[C@H](C)c1cnn(C)c1 164572602 538144604 /nfs/dbraw/zinc/14/46/04/538144604.db2.gz GILIHEJMGKMUPK-SCZZXKLOSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@@H](C[C@@H](C)O)NCc1cncn1C 164587008 538144685 /nfs/dbraw/zinc/14/46/85/538144685.db2.gz FIIQOIDEOAGYAQ-DTWKUNHWSA-N 0 3 197.282 0.669 20 0 ACADHN C[C@H](O)C[C@@H](C)NCc1ccnn1C 164524829 538144886 /nfs/dbraw/zinc/14/48/86/538144886.db2.gz VGSRSAWKVMBGFV-BDAKNGLRSA-N 0 3 197.282 0.669 20 0 ACADHN C[C@H](O)C[C@H](C)NCc1cnn(C)c1 164470982 538144998 /nfs/dbraw/zinc/14/49/98/538144998.db2.gz MWAXNRYAFYUONK-IUCAKERBSA-N 0 3 197.282 0.669 20 0 ACADHN Cc1n[nH]cc1CN[C@H](C)C[C@@H](C)O 164525106 538144956 /nfs/dbraw/zinc/14/49/56/538144956.db2.gz IBIURLQXTPGXRZ-HTQZYQBOSA-N 0 3 197.282 0.967 20 0 ACADHN C[C@H](O)C[C@H](C)NCc1cncn1C 164587243 538145093 /nfs/dbraw/zinc/14/50/93/538145093.db2.gz FIIQOIDEOAGYAQ-IUCAKERBSA-N 0 3 197.282 0.669 20 0 ACADHN C[C@H](O)C[C@@H](C)NCc1cnn(C)c1 164471114 538145142 /nfs/dbraw/zinc/14/51/42/538145142.db2.gz MWAXNRYAFYUONK-BDAKNGLRSA-N 0 3 197.282 0.669 20 0 ACADHN C[C@H](O)C[C@@H](C)NCc1cncn1C 164587358 538145263 /nfs/dbraw/zinc/14/52/63/538145263.db2.gz FIIQOIDEOAGYAQ-BDAKNGLRSA-N 0 3 197.282 0.669 20 0 ACADHN C[C@@H](C[C@@H](C)O)NCc1ccnn1C 164524450 538145605 /nfs/dbraw/zinc/14/56/05/538145605.db2.gz VGSRSAWKVMBGFV-DTWKUNHWSA-N 0 3 197.282 0.669 20 0 ACADHN C[C@@H](O)C[C@@H](C)NCc1cncn1C 164587130 538145873 /nfs/dbraw/zinc/14/58/73/538145873.db2.gz FIIQOIDEOAGYAQ-RKDXNWHRSA-N 0 3 197.282 0.669 20 0 ACADHN Cc1n[nH]cc1CN[C@H](C)C[C@H](C)O 164525368 538145973 /nfs/dbraw/zinc/14/59/73/538145973.db2.gz IBIURLQXTPGXRZ-SFYZADRCSA-N 0 3 197.282 0.967 20 0 ACADHN CCOCCN1CC[C@H](O)[C@H](C)C1 164614752 538147053 /nfs/dbraw/zinc/14/70/53/538147053.db2.gz QTRGLPHTSXNZJY-ZJUUUORDSA-N 0 3 187.283 0.726 20 0 ACADHN CCOCCN1CC[C@@H](O)[C@H](C)C1 164614865 538147241 /nfs/dbraw/zinc/14/72/41/538147241.db2.gz QTRGLPHTSXNZJY-NXEZZACHSA-N 0 3 187.283 0.726 20 0 ACADHN C[C@@H]1CN([C@@H]2CCOC2)CC[C@@H]1O 164633378 538147507 /nfs/dbraw/zinc/14/75/07/538147507.db2.gz PZVUKJWENSPLHR-BBBLOLIVSA-N 0 3 185.267 0.478 20 0 ACADHN CCNC(=O)NCC1(N(C)C)CCC1 164954166 538150344 /nfs/dbraw/zinc/15/03/44/538150344.db2.gz DVNNLQMFTKQHSO-UHFFFAOYSA-N 0 3 199.298 0.790 20 0 ACADHN CN(C)C1(CNC(=O)C2CC2)CCC1 165271947 538151080 /nfs/dbraw/zinc/15/10/80/538151080.db2.gz CWUAAMMEGOOJNX-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CCC(=O)NCC1(N(C)C)CCC1 165272602 538151803 /nfs/dbraw/zinc/15/18/03/538151803.db2.gz GSPFMUOXSOPYBR-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN COC[C@H](CCO)NCc1cc[nH]c1 165679562 538153020 /nfs/dbraw/zinc/15/30/20/538153020.db2.gz SMZGBDBNBVUTQV-JTQLQIEISA-N 0 3 198.266 0.502 20 0 ACADHN COC[C@@H](CCO)NCc1cc[nH]c1 165679429 538154357 /nfs/dbraw/zinc/15/43/57/538154357.db2.gz SMZGBDBNBVUTQV-SNVBAGLBSA-N 0 3 198.266 0.502 20 0 ACADHN CC[C@H](NCCCO)c1cnn(C)c1 166247571 538158500 /nfs/dbraw/zinc/15/85/00/538158500.db2.gz FTVAFCXPGBPATQ-JTQLQIEISA-N 0 3 197.282 0.843 20 0 ACADHN CC[C@@H](NCCCO)c1cnn(C)c1 166247695 538159383 /nfs/dbraw/zinc/15/93/83/538159383.db2.gz FTVAFCXPGBPATQ-SNVBAGLBSA-N 0 3 197.282 0.843 20 0 ACADHN CCNC(=O)[C@@H](C)NC1CC(C)C1 166614811 538160778 /nfs/dbraw/zinc/16/07/78/538160778.db2.gz DTPYROUXMFBCSR-QJAFJHJLSA-N 0 3 184.283 0.899 20 0 ACADHN CN(CCO)C[C@H]1CCC(C)(C)O1 166283654 538160932 /nfs/dbraw/zinc/16/09/32/538160932.db2.gz CVTNGQIKLHDNBN-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN Cc1ncc([C@H](C)NCCO)c(C)n1 166481503 538160960 /nfs/dbraw/zinc/16/09/60/538160960.db2.gz WNVXIJIJJOKDCM-ZETCQYMHSA-N 0 3 195.266 0.736 20 0 ACADHN C[C@@H](NCCO)c1cncc(F)c1 166493762 538161226 /nfs/dbraw/zinc/16/12/26/538161226.db2.gz OOEMGCASAICPDE-SSDOTTSWSA-N 0 3 184.214 0.864 20 0 ACADHN C[C@H](NCCO)c1cncc(F)c1 166493640 538161424 /nfs/dbraw/zinc/16/14/24/538161424.db2.gz OOEMGCASAICPDE-ZETCQYMHSA-N 0 3 184.214 0.864 20 0 ACADHN COCCN1CC=CCC1 166625511 538161509 /nfs/dbraw/zinc/16/15/09/538161509.db2.gz NTKAIGKLOPOLEN-UHFFFAOYSA-N 0 3 141.214 0.895 20 0 ACADHN CC[C@@H](NCCO)c1cnn(C)c1 166472054 538162105 /nfs/dbraw/zinc/16/21/05/538162105.db2.gz DIIWFBIDWSWAFQ-SECBINFHSA-N 0 3 183.255 0.453 20 0 ACADHN Cc1ncc([C@@H](C)NCCO)c(C)n1 166481391 538162293 /nfs/dbraw/zinc/16/22/93/538162293.db2.gz WNVXIJIJJOKDCM-SSDOTTSWSA-N 0 3 195.266 0.736 20 0 ACADHN COCc1ccc(CNCCCO)o1 166655983 538162462 /nfs/dbraw/zinc/16/24/62/538162462.db2.gz PQUOZPOMNNFCKF-UHFFFAOYSA-N 0 3 199.250 0.898 20 0 ACADHN CC[C@H](NCCO)c1cnn(C)c1 166471949 538162573 /nfs/dbraw/zinc/16/25/73/538162573.db2.gz DIIWFBIDWSWAFQ-VIFPVBQESA-N 0 3 183.255 0.453 20 0 ACADHN CC1CC(NCC(=O)NCC2CC2)C1 166651499 538163102 /nfs/dbraw/zinc/16/31/02/538163102.db2.gz HZEMFZVTYLTQKF-UHFFFAOYSA-N 0 3 196.294 0.901 20 0 ACADHN CCNC(=O)[C@H](C)NC1CC(C)C1 166614904 538163341 /nfs/dbraw/zinc/16/33/41/538163341.db2.gz DTPYROUXMFBCSR-MGURRDGZSA-N 0 3 184.283 0.899 20 0 ACADHN CN(CCO)C[C@@H]1CCC(C)(C)O1 166283783 538163436 /nfs/dbraw/zinc/16/34/36/538163436.db2.gz CVTNGQIKLHDNBN-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H](N[C@H](C)CO)c1cnn(C)c1 166778120 538164506 /nfs/dbraw/zinc/16/45/06/538164506.db2.gz LLBPACAQOYLDRZ-PSASIEDQSA-N 0 3 197.282 0.842 20 0 ACADHN CC[C@H](N[C@H](C)CO)c1cnn(C)c1 166778002 538165729 /nfs/dbraw/zinc/16/57/29/538165729.db2.gz LLBPACAQOYLDRZ-SCZZXKLOSA-N 0 3 197.282 0.842 20 0 ACADHN CN1CCN(CCCCF)CC1 168181813 538175941 /nfs/dbraw/zinc/17/59/41/538175941.db2.gz QMLDFBOPZOFOFN-UHFFFAOYSA-N 0 3 174.263 0.984 20 0 ACADHN CCN1CCN(C2CCOCC2)CC1 168608068 538176290 /nfs/dbraw/zinc/17/62/90/538176290.db2.gz HTGOJXQGRQGNLX-UHFFFAOYSA-N 0 3 198.310 0.803 20 0 ACADHN CCN1CCN(C(C)(C)CO)CC1 168599290 538177147 /nfs/dbraw/zinc/17/71/47/538177147.db2.gz SVPLVOKPQPKAPS-UHFFFAOYSA-N 0 3 186.299 0.395 20 0 ACADHN CN(CCN1CCNC1=O)C1CC1 169108331 538179540 /nfs/dbraw/zinc/17/95/40/538179540.db2.gz LMVZWMCYIOWTQK-UHFFFAOYSA-N 0 3 183.255 0.106 20 0 ACADHN CCNCc1cn(C)cn1 198092402 538182431 /nfs/dbraw/zinc/18/24/31/538182431.db2.gz NJLOXLANFHALOR-UHFFFAOYSA-N 0 3 139.202 0.530 20 0 ACADHN CN(C)C(=O)[C@H]1CCCCN1C 200330556 538183793 /nfs/dbraw/zinc/18/37/93/538183793.db2.gz RUYFYIFEBAALHT-MRVPVSSYSA-N 0 3 170.256 0.559 20 0 ACADHN CC(C)OCCN1CCN(C)CC1 202952880 538185546 /nfs/dbraw/zinc/18/55/46/538185546.db2.gz HGAWXYXEIYMVCH-UHFFFAOYSA-N 0 3 186.299 0.659 20 0 ACADHN CC(C)CNC1CS(=O)(=O)C1 212735033 538190768 /nfs/dbraw/zinc/19/07/68/538190768.db2.gz UFASAYMKGQSCGU-UHFFFAOYSA-N 0 3 177.269 0.029 20 0 ACADHN Cc1nccn1CC(F)(F)CN 212608455 538191039 /nfs/dbraw/zinc/19/10/39/538191039.db2.gz OSGBXBFIIVXKCU-UHFFFAOYSA-N 0 3 175.182 0.786 20 0 ACADHN CCNC(=O)c1cc(CN)ccn1 212815151 538191720 /nfs/dbraw/zinc/19/17/20/538191720.db2.gz JEMUVAMIQPZLOR-UHFFFAOYSA-N 0 3 179.223 0.290 20 0 ACADHN CCC[C@H]1NCCCNC1=O 218622407 538193266 /nfs/dbraw/zinc/19/32/66/538193266.db2.gz ZMPVMIUXWVMFAF-SSDOTTSWSA-N 0 3 156.229 0.265 20 0 ACADHN CCC[C@@H]1NCCCNC1=O 218622491 538193442 /nfs/dbraw/zinc/19/34/42/538193442.db2.gz ZMPVMIUXWVMFAF-ZETCQYMHSA-N 0 3 156.229 0.265 20 0 ACADHN C[C@H](C(=O)C1CC1)[C@H]1COC[C@@H](C)N1 227195946 538199950 /nfs/dbraw/zinc/19/99/50/538199950.db2.gz FBNRZEPRAJDNDB-KHQFGBGNSA-N 0 3 197.278 0.979 20 0 ACADHN C[C@H](C(=O)C1CC1)[C@@H]1COC[C@@H](C)N1 227195943 538200030 /nfs/dbraw/zinc/20/00/30/538200030.db2.gz FBNRZEPRAJDNDB-WEDXCCLWSA-N 0 3 197.278 0.979 20 0 ACADHN CCCCN1C[C@H](C)O[C@@H](CO)C1 230009254 538201488 /nfs/dbraw/zinc/20/14/88/538201488.db2.gz WCFURFPMZVRLMI-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN CCCCN1C[C@@H](C)O[C@@H](CO)C1 230009249 538202003 /nfs/dbraw/zinc/20/20/03/538202003.db2.gz WCFURFPMZVRLMI-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@H](CO)N(C)CCc1cnn(C)c1 230075001 538202428 /nfs/dbraw/zinc/20/24/28/538202428.db2.gz BRHOAOZSUUDRNG-SECBINFHSA-N 0 3 197.282 0.275 20 0 ACADHN C[C@H]1CN(CCC2CC2)C[C@@H](CO)O1 230014488 538202677 /nfs/dbraw/zinc/20/26/77/538202677.db2.gz SDTPBMIFDDSCFK-ONGXEEELSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@@H]1CN(CCC2CC2)C[C@@H](CO)O1 230014484 538202944 /nfs/dbraw/zinc/20/29/44/538202944.db2.gz SDTPBMIFDDSCFK-KOLCDFICSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@@H](CO)CCCNCc1cc[nH]n1 230160836 538203764 /nfs/dbraw/zinc/20/37/64/538203764.db2.gz DTHJBVKOXAXLLL-SECBINFHSA-N 0 3 197.282 0.908 20 0 ACADHN c1cc(CNCC[C@H]2CCOC2)n[nH]1 230165915 538204358 /nfs/dbraw/zinc/20/43/58/538204358.db2.gz RMGIXEIKWKJAEG-VIFPVBQESA-N 0 3 195.266 0.926 20 0 ACADHN C[C@@H](CO)CCCNCc1ncc[nH]1 230160579 538204692 /nfs/dbraw/zinc/20/46/92/538204692.db2.gz RCJAVEIAGJJAAQ-SECBINFHSA-N 0 3 197.282 0.908 20 0 ACADHN c1c[nH]c(CNCC[C@H]2CCOC2)n1 230164803 538204787 /nfs/dbraw/zinc/20/47/87/538204787.db2.gz RBNWYTRXQMJVRF-VIFPVBQESA-N 0 3 195.266 0.926 20 0 ACADHN C[C@H](CO)CCCNCc1ncc[nH]1 230160582 538204805 /nfs/dbraw/zinc/20/48/05/538204805.db2.gz RCJAVEIAGJJAAQ-VIFPVBQESA-N 0 3 197.282 0.908 20 0 ACADHN C[C@H](CO)CCCNCc1cc[nH]n1 230160841 538204856 /nfs/dbraw/zinc/20/48/56/538204856.db2.gz DTHJBVKOXAXLLL-VIFPVBQESA-N 0 3 197.282 0.908 20 0 ACADHN c1c[nH]c(CNCC[C@@H]2CCOC2)n1 230164799 538205567 /nfs/dbraw/zinc/20/55/67/538205567.db2.gz RBNWYTRXQMJVRF-SECBINFHSA-N 0 3 195.266 0.926 20 0 ACADHN c1cc(CNCC[C@@H]2CCOC2)n[nH]1 230165909 538205801 /nfs/dbraw/zinc/20/58/01/538205801.db2.gz RMGIXEIKWKJAEG-SECBINFHSA-N 0 3 195.266 0.926 20 0 ACADHN CCN(CC1CCC1)[C@@H](C)C(N)=O 230329544 538207334 /nfs/dbraw/zinc/20/73/34/538207334.db2.gz OTQQGOGFXFLDND-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN CCN(CC1CCC1)[C@H](C)C(N)=O 230329546 538207386 /nfs/dbraw/zinc/20/73/86/538207386.db2.gz OTQQGOGFXFLDND-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN CC(C)CNC1(C(N)=O)CC1 230229685 538208313 /nfs/dbraw/zinc/20/83/13/538208313.db2.gz BOVMSQXVNCRJGE-UHFFFAOYSA-N 0 3 156.229 0.250 20 0 ACADHN NC(=O)C1(NCC2CC2)CC1 230618371 538210357 /nfs/dbraw/zinc/21/03/57/538210357.db2.gz FYALDRHDGSDZAG-UHFFFAOYSA-N 0 3 154.213 0.004 20 0 ACADHN CC(C)(CC(N)=O)NCCF 230652160 538212883 /nfs/dbraw/zinc/21/28/83/538212883.db2.gz SADBRNOJONBEOU-UHFFFAOYSA-N 0 3 162.208 0.200 20 0 ACADHN C[C@H](O)CN(C)CCc1ccnn1C 230886605 538216812 /nfs/dbraw/zinc/21/68/12/538216812.db2.gz NHFUZBSZMKVKOI-VIFPVBQESA-N 0 3 197.282 0.275 20 0 ACADHN C[C@H](CO)N(C)CCc1ccnn1C 230887055 538216982 /nfs/dbraw/zinc/21/69/82/538216982.db2.gz QUJMSYKJZRTUAU-SECBINFHSA-N 0 3 197.282 0.275 20 0 ACADHN CCN(CCO)CCc1ccnn1C 230886509 538217438 /nfs/dbraw/zinc/21/74/38/538217438.db2.gz DJOABUIGSKILIJ-UHFFFAOYSA-N 0 3 197.282 0.277 20 0 ACADHN C[C@H]1CC[C@H](CN2CC[C@H](O)C2)O1 232031182 538225238 /nfs/dbraw/zinc/22/52/38/538225238.db2.gz QUPLUFWKQKERME-LPEHRKFASA-N 0 3 185.267 0.621 20 0 ACADHN C[C@@H]1CC[C@H](CN2CC[C@H](O)C2)O1 232031179 538222879 /nfs/dbraw/zinc/22/28/79/538222879.db2.gz QUPLUFWKQKERME-KXUCPTDWSA-N 0 3 185.267 0.621 20 0 ACADHN CCN(CCO)C[C@H]1CC[C@@H](C)O1 232030688 538222935 /nfs/dbraw/zinc/22/29/35/538222935.db2.gz DFGVGYXSMLHFRR-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN C=Cn1cc(CNC(C)(C)CO)cn1 232516805 538223235 /nfs/dbraw/zinc/22/32/35/538223235.db2.gz KIMLYRLKAKJDPP-UHFFFAOYSA-N 0 3 195.266 0.844 20 0 ACADHN C[C@@H]1CC[C@@H](CN2CC[C@@H](O)C2)O1 232030946 538223547 /nfs/dbraw/zinc/22/35/47/538223547.db2.gz QUPLUFWKQKERME-BBBLOLIVSA-N 0 3 185.267 0.621 20 0 ACADHN C[C@H]1CC[C@H](CN2CC[C@@H](O)C2)O1 232030953 538223599 /nfs/dbraw/zinc/22/35/99/538223599.db2.gz QUPLUFWKQKERME-IVZWLZJFSA-N 0 3 185.267 0.621 20 0 ACADHN C[C@@H]1CC[C@H](CN2CC[C@@H](O)C2)O1 232030950 538223953 /nfs/dbraw/zinc/22/39/53/538223953.db2.gz QUPLUFWKQKERME-OPRDCNLKSA-N 0 3 185.267 0.621 20 0 ACADHN C[C@H]1CC[C@@H](CN2CC[C@H](O)C2)O1 232031177 538224382 /nfs/dbraw/zinc/22/43/82/538224382.db2.gz QUPLUFWKQKERME-GUBZILKMSA-N 0 3 185.267 0.621 20 0 ACADHN C[C@@H]1CC[C@@H](CN2CC[C@H](O)C2)O1 232031174 538224867 /nfs/dbraw/zinc/22/48/67/538224867.db2.gz QUPLUFWKQKERME-UTLUCORTSA-N 0 3 185.267 0.621 20 0 ACADHN C[C@@H]1CC[C@@H](CN(C)[C@H](C)CO)O1 232031419 538225167 /nfs/dbraw/zinc/22/51/67/538225167.db2.gz HIHSEJZYRCNZEJ-BBBLOLIVSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@H]1CC[C@@H](CN2CC[C@@H](O)C2)O1 232030949 538225402 /nfs/dbraw/zinc/22/54/02/538225402.db2.gz QUPLUFWKQKERME-AEJSXWLSSA-N 0 3 185.267 0.621 20 0 ACADHN CCN(CCO)C[C@@H]1CC[C@@H](C)O1 232030685 538225557 /nfs/dbraw/zinc/22/55/57/538225557.db2.gz DFGVGYXSMLHFRR-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@H](O)CN(C)C[C@@H]1CC[C@@H](C)O1 232030851 538225799 /nfs/dbraw/zinc/22/57/99/538225799.db2.gz QVYJMZDJSIPSOL-AEJSXWLSSA-N 0 3 187.283 0.867 20 0 ACADHN C=Cn1cc(CN[C@H]2CCOC2)cn1 232572895 538226540 /nfs/dbraw/zinc/22/65/40/538226540.db2.gz JNECJLJNFIASKQ-JTQLQIEISA-N 0 3 193.250 0.862 20 0 ACADHN CC(C)COCCN(C)C[C@H](C)O 232638455 538226610 /nfs/dbraw/zinc/22/66/10/538226610.db2.gz OUDNKOSZFMAIQS-JTQLQIEISA-N 0 3 189.299 0.972 20 0 ACADHN C=Cn1cc(CNCC(C)(C)O)cn1 232587586 538226764 /nfs/dbraw/zinc/22/67/64/538226764.db2.gz NXWDMOUQSAKZSX-UHFFFAOYSA-N 0 3 195.266 0.844 20 0 ACADHN CC(C)COCCN1CC[C@@H](O)C1 232672230 538227657 /nfs/dbraw/zinc/22/76/57/538227657.db2.gz YCRVHBSPBMFRBF-SNVBAGLBSA-N 0 3 187.283 0.726 20 0 ACADHN CC(C)COCCN1CC[C@H](O)C1 232673811 538228833 /nfs/dbraw/zinc/22/88/33/538228833.db2.gz YCRVHBSPBMFRBF-JTQLQIEISA-N 0 3 187.283 0.726 20 0 ACADHN CCC(=O)CCCN1CC[C@@H](O)C1 232862594 538229562 /nfs/dbraw/zinc/22/95/62/538229562.db2.gz WHSSKEDBNPONBS-SNVBAGLBSA-N 0 3 185.267 0.812 20 0 ACADHN CC(C)COCCN(C)[C@H](C)CO 232640980 538230084 /nfs/dbraw/zinc/23/00/84/538230084.db2.gz KPJHJMYYOSFCEO-SNVBAGLBSA-N 0 3 189.299 0.972 20 0 ACADHN CCC(=O)CCCN1CC[C@H](O)C1 232863900 538230132 /nfs/dbraw/zinc/23/01/32/538230132.db2.gz WHSSKEDBNPONBS-JTQLQIEISA-N 0 3 185.267 0.812 20 0 ACADHN CCN(CC(N)=O)CC1CCC1 233455591 538233716 /nfs/dbraw/zinc/23/37/16/538233716.db2.gz SUEZLTSVRNSCHB-UHFFFAOYSA-N 0 3 170.256 0.594 20 0 ACADHN CCN(CCO)CCOCC(C)C 233463270 538233912 /nfs/dbraw/zinc/23/39/12/538233912.db2.gz WVKQMUXLXIPZPN-UHFFFAOYSA-N 0 3 189.299 0.973 20 0 ACADHN CCOC[C@@H](C)N[C@@H](CO)COC 233740037 538233958 /nfs/dbraw/zinc/23/39/58/538233958.db2.gz NUBMMWRQCNRYFQ-BDAKNGLRSA-N 0 3 191.271 0.008 20 0 ACADHN C=Cn1cc(CN[C@H](CC)CO)cn1 234017725 538234420 /nfs/dbraw/zinc/23/44/20/538234420.db2.gz NTPHEKQSRRHSJR-SNVBAGLBSA-N 0 3 195.266 0.844 20 0 ACADHN CCOC[C@@H](C)N[C@H](CO)COC 233742115 538234506 /nfs/dbraw/zinc/23/45/06/538234506.db2.gz NUBMMWRQCNRYFQ-RKDXNWHRSA-N 0 3 191.271 0.008 20 0 ACADHN CC[C@@H](CO)N[C@H](C)c1ccnn1C 233882566 538234603 /nfs/dbraw/zinc/23/46/03/538234603.db2.gz IVBCWWFEXBPDDK-BDAKNGLRSA-N 0 3 197.282 0.842 20 0 ACADHN CC[C@H](COC)N[C@H](CO)COC 234025580 538234716 /nfs/dbraw/zinc/23/47/16/538234716.db2.gz WIKYRZAIBMHDNH-RKDXNWHRSA-N 0 3 191.271 0.008 20 0 ACADHN CC[C@H](COC)N[C@@H](CO)COC 234023314 538234806 /nfs/dbraw/zinc/23/48/06/538234806.db2.gz WIKYRZAIBMHDNH-BDAKNGLRSA-N 0 3 191.271 0.008 20 0 ACADHN CCOC[C@@H](NCC(N)=O)C(C)C 233725974 538235028 /nfs/dbraw/zinc/23/50/28/538235028.db2.gz IDBGPYCVBVDLPW-MRVPVSSYSA-N 0 3 188.271 0.122 20 0 ACADHN CC[C@@H](COC)N[C@H](CO)COC 233885027 538235099 /nfs/dbraw/zinc/23/50/99/538235099.db2.gz WIKYRZAIBMHDNH-DTWKUNHWSA-N 0 3 191.271 0.008 20 0 ACADHN CCOC[C@H](C)N[C@@H](CO)COC 233734133 538235132 /nfs/dbraw/zinc/23/51/32/538235132.db2.gz NUBMMWRQCNRYFQ-IUCAKERBSA-N 0 3 191.271 0.008 20 0 ACADHN C=Cn1cc(CN[C@@H](CC)CO)cn1 233878210 538235517 /nfs/dbraw/zinc/23/55/17/538235517.db2.gz NTPHEKQSRRHSJR-JTQLQIEISA-N 0 3 195.266 0.844 20 0 ACADHN CC[C@@H](CO)N[C@@H](C)c1ccnn1C 233880695 538235569 /nfs/dbraw/zinc/23/55/69/538235569.db2.gz IVBCWWFEXBPDDK-IUCAKERBSA-N 0 3 197.282 0.842 20 0 ACADHN CCOC[C@H](NCC(N)=O)C(C)C 233771351 538235648 /nfs/dbraw/zinc/23/56/48/538235648.db2.gz IDBGPYCVBVDLPW-QMMMGPOBSA-N 0 3 188.271 0.122 20 0 ACADHN CCOC[C@H](C)N[C@H](CO)COC 233736024 538235844 /nfs/dbraw/zinc/23/58/44/538235844.db2.gz NUBMMWRQCNRYFQ-DTWKUNHWSA-N 0 3 191.271 0.008 20 0 ACADHN CC[C@@H](COC)N[C@@H](CO)COC 233883798 538236087 /nfs/dbraw/zinc/23/60/87/538236087.db2.gz WIKYRZAIBMHDNH-IUCAKERBSA-N 0 3 191.271 0.008 20 0 ACADHN COC[C@H](CO)NCc1ccncc1 234797144 538237589 /nfs/dbraw/zinc/23/75/89/538237589.db2.gz BWWVLGUHHWXCKZ-JTQLQIEISA-N 0 3 196.250 0.179 20 0 ACADHN COC[C@H](CO)NCc1cc[nH]c1 234788459 538238016 /nfs/dbraw/zinc/23/80/16/538238016.db2.gz GVCADUQCAYHSLL-VIFPVBQESA-N 0 3 184.239 0.112 20 0 ACADHN COCCN[C@@H](C)c1ccnn1C 234649516 538238371 /nfs/dbraw/zinc/23/83/71/538238371.db2.gz NRINWUJZCRJEOQ-QMMMGPOBSA-N 0 3 183.255 0.717 20 0 ACADHN COC[C@H](CO)NCc1ccn(C)c1 234796959 538238947 /nfs/dbraw/zinc/23/89/47/538238947.db2.gz NPHKEQHNMQISHN-JTQLQIEISA-N 0 3 198.266 0.122 20 0 ACADHN COC[C@H](CO)N[C@@H](C)[C@@H](C)OC 234821956 538239153 /nfs/dbraw/zinc/23/91/53/538239153.db2.gz AIFYGMQGBIVSJL-YIZRAAEISA-N 0 3 191.271 0.007 20 0 ACADHN CC[C@H]1CN(C)CCCN1C(C)=O 234062418 538239207 /nfs/dbraw/zinc/23/92/07/538239207.db2.gz WTIARAVPBVGFTO-JTQLQIEISA-N 0 3 184.283 0.949 20 0 ACADHN C=Cn1cc(CNCCOC)cn1 234747160 538239261 /nfs/dbraw/zinc/23/92/61/538239261.db2.gz ZOXFEXYECRTJIM-UHFFFAOYSA-N 0 3 181.239 0.720 20 0 ACADHN COC[C@H](CO)NCc1cccn1C 234796781 538239307 /nfs/dbraw/zinc/23/93/07/538239307.db2.gz DDQLRNUETXTTRP-VIFPVBQESA-N 0 3 198.266 0.122 20 0 ACADHN COCCN[C@H](C)c1ccnn1C 234673804 538239623 /nfs/dbraw/zinc/23/96/23/538239623.db2.gz NRINWUJZCRJEOQ-MRVPVSSYSA-N 0 3 183.255 0.717 20 0 ACADHN C[C@@H](NCCCCO)c1cnn(C)c1 235210913 538241342 /nfs/dbraw/zinc/24/13/42/538241342.db2.gz FNMSNDLTBIABKN-SECBINFHSA-N 0 3 197.282 0.843 20 0 ACADHN C[C@@H](NCCN(C)C)c1ccnn1C 235190749 538241361 /nfs/dbraw/zinc/24/13/61/538241361.db2.gz QJTBDSNIOQSHOM-SECBINFHSA-N 0 3 196.298 0.632 20 0 ACADHN C=Cn1cc(CN[C@@H](C)CO)cn1 235129264 538242472 /nfs/dbraw/zinc/24/24/72/538242472.db2.gz RECUDMPFDXUNOP-QMMMGPOBSA-N 0 3 181.239 0.454 20 0 ACADHN C=Cn1cc(CNC[C@@H](C)O)cn1 235249165 538242535 /nfs/dbraw/zinc/24/25/35/538242535.db2.gz WQRQZSFFRKLJHD-MRVPVSSYSA-N 0 3 181.239 0.454 20 0 ACADHN COC[C@@H](CO)NCc1ccncc1 234873860 538242904 /nfs/dbraw/zinc/24/29/04/538242904.db2.gz BWWVLGUHHWXCKZ-SNVBAGLBSA-N 0 3 196.250 0.179 20 0 ACADHN C[C@@H](CO)N[C@@H](C)c1ccnn1C 235131827 538242929 /nfs/dbraw/zinc/24/29/29/538242929.db2.gz YUUYNGWNMLJEEZ-YUMQZZPRSA-N 0 3 183.255 0.452 20 0 ACADHN COC[C@H](CO)N[C@@H]1CCSC1 234833595 538242967 /nfs/dbraw/zinc/24/29/67/538242967.db2.gz YZUHLQIEUJVBDT-SFYZADRCSA-N 0 3 191.296 0.089 20 0 ACADHN COC[C@H](CO)N[C@H](C)[C@@H](C)OC 234837288 538243106 /nfs/dbraw/zinc/24/31/06/538243106.db2.gz AIFYGMQGBIVSJL-HLTSFMKQSA-N 0 3 191.271 0.007 20 0 ACADHN C[C@@H](CCO)N[C@@H](C)c1ccnn1C 235091328 538243429 /nfs/dbraw/zinc/24/34/29/538243429.db2.gz HPRZKNPYGIJAGO-IUCAKERBSA-N 0 3 197.282 0.842 20 0 ACADHN C=Cn1cc(CN[C@@H](C)CCO)cn1 235089282 538243550 /nfs/dbraw/zinc/24/35/50/538243550.db2.gz JAFYAEGUZMHWHT-VIFPVBQESA-N 0 3 195.266 0.844 20 0 ACADHN C[C@@H](NCCCCO)c1nccn1C 235211095 538243661 /nfs/dbraw/zinc/24/36/61/538243661.db2.gz QTQFGBQHWKSHDR-SECBINFHSA-N 0 3 197.282 0.843 20 0 ACADHN COC[C@H](CO)N[C@H]1CCSC1 234844822 538243848 /nfs/dbraw/zinc/24/38/48/538243848.db2.gz YZUHLQIEUJVBDT-YUMQZZPRSA-N 0 3 191.296 0.089 20 0 ACADHN C=Cn1cc(CNC[C@@H](C)CO)cn1 235126076 538243884 /nfs/dbraw/zinc/24/38/84/538243884.db2.gz CLBWUVHJGUAXLV-SECBINFHSA-N 0 3 195.266 0.702 20 0 ACADHN COC[C@@H](CO)NCc1cc[nH]c1 234868221 538244061 /nfs/dbraw/zinc/24/40/61/538244061.db2.gz GVCADUQCAYHSLL-SECBINFHSA-N 0 3 184.239 0.112 20 0 ACADHN COC[C@@H](CO)N[C@@H]1CCSC1 234895728 538244168 /nfs/dbraw/zinc/24/41/68/538244168.db2.gz YZUHLQIEUJVBDT-HTQZYQBOSA-N 0 3 191.296 0.089 20 0 ACADHN C[C@@H](CCO)N[C@H](C)c1ccnn1C 235093575 538244286 /nfs/dbraw/zinc/24/42/86/538244286.db2.gz HPRZKNPYGIJAGO-DTWKUNHWSA-N 0 3 197.282 0.842 20 0 ACADHN COC[C@@H](CO)NCc1cccn1C 234873633 538244322 /nfs/dbraw/zinc/24/43/22/538244322.db2.gz DDQLRNUETXTTRP-SECBINFHSA-N 0 3 198.266 0.122 20 0 ACADHN C[C@@H](CO)N[C@H](C)c1ccnn1C 235133295 538244482 /nfs/dbraw/zinc/24/44/82/538244482.db2.gz YUUYNGWNMLJEEZ-JGVFFNPUSA-N 0 3 183.255 0.452 20 0 ACADHN COC[C@@H](CO)N[C@H]1CCSC1 234904493 538244552 /nfs/dbraw/zinc/24/45/52/538244552.db2.gz YZUHLQIEUJVBDT-JGVFFNPUSA-N 0 3 191.296 0.089 20 0 ACADHN COC[C@@H](CO)NCc1ccn(C)c1 234873746 538244641 /nfs/dbraw/zinc/24/46/41/538244641.db2.gz NPHKEQHNMQISHN-SNVBAGLBSA-N 0 3 198.266 0.122 20 0 ACADHN C=Cn1cc(CNCC[C@H](C)O)cn1 235546094 538245381 /nfs/dbraw/zinc/24/53/81/538245381.db2.gz WDZPEBSFYHFYDO-VIFPVBQESA-N 0 3 195.266 0.844 20 0 ACADHN C[C@H](O)CCN[C@@H](C)c1ccnn1C 235549031 538245408 /nfs/dbraw/zinc/24/54/08/538245408.db2.gz TURIEOKHIFDGLB-IUCAKERBSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@H](NCCCCO)c1cnn(C)c1 235514326 538245467 /nfs/dbraw/zinc/24/54/67/538245467.db2.gz FNMSNDLTBIABKN-VIFPVBQESA-N 0 3 197.282 0.843 20 0 ACADHN C=Cn1cc(CNC[C@H](C)CO)cn1 235455236 538245513 /nfs/dbraw/zinc/24/55/13/538245513.db2.gz CLBWUVHJGUAXLV-VIFPVBQESA-N 0 3 195.266 0.702 20 0 ACADHN Cc1n[nH]c(C)c1CNCCCCO 235813166 538245778 /nfs/dbraw/zinc/24/57/78/538245778.db2.gz ZCYNYMYFSXWHQB-UHFFFAOYSA-N 0 3 197.282 0.889 20 0 ACADHN C=Cn1cc(CN[C@H](C)CO)cn1 235452835 538246011 /nfs/dbraw/zinc/24/60/11/538246011.db2.gz RECUDMPFDXUNOP-MRVPVSSYSA-N 0 3 181.239 0.454 20 0 ACADHN C[C@H](N[C@@]1(C)CCO[C@@H]1C)C(N)=O 235525341 538246131 /nfs/dbraw/zinc/24/61/31/538246131.db2.gz OBENUFLLYYEIIF-OOZYFLPDSA-N 0 3 186.255 0.017 20 0 ACADHN O[C@@H]1CC[C@H](CNCc2cc[nH]n2)C1 236549448 538251010 /nfs/dbraw/zinc/25/10/10/538251010.db2.gz WYVDYYYMYLPPNW-WCBMZHEXSA-N 0 3 195.266 0.660 20 0 ACADHN C[C@H](NCCCCO)c1nccn1C 235514371 538246563 /nfs/dbraw/zinc/24/65/63/538246563.db2.gz QTQFGBQHWKSHDR-VIFPVBQESA-N 0 3 197.282 0.843 20 0 ACADHN C[C@H](CCO)N[C@H](C)c1ccnn1C 235422368 538246734 /nfs/dbraw/zinc/24/67/34/538246734.db2.gz HPRZKNPYGIJAGO-RKDXNWHRSA-N 0 3 197.282 0.842 20 0 ACADHN C=Cn1cc(CN[C@H](C)CCO)cn1 235450785 538246823 /nfs/dbraw/zinc/24/68/23/538246823.db2.gz JAFYAEGUZMHWHT-SECBINFHSA-N 0 3 195.266 0.844 20 0 ACADHN C[C@H](N[C@H](C)CO)c1ccnn1C 235456464 538246974 /nfs/dbraw/zinc/24/69/74/538246974.db2.gz YUUYNGWNMLJEEZ-SFYZADRCSA-N 0 3 183.255 0.452 20 0 ACADHN C[C@H](NCCN(C)C)c1ccnn1C 235501437 538247033 /nfs/dbraw/zinc/24/70/33/538247033.db2.gz QJTBDSNIOQSHOM-VIFPVBQESA-N 0 3 196.298 0.632 20 0 ACADHN C[C@H](N[C@]1(C)CCO[C@@H]1C)C(N)=O 235516508 538247255 /nfs/dbraw/zinc/24/72/55/538247255.db2.gz OBENUFLLYYEIIF-LKEWCRSYSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H](N[C@H](C)CCO)c1ccnn1C 235453629 538247304 /nfs/dbraw/zinc/24/73/04/538247304.db2.gz HPRZKNPYGIJAGO-BDAKNGLRSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@H](O)CCN[C@H](C)c1ccnn1C 235550954 538247491 /nfs/dbraw/zinc/24/74/91/538247491.db2.gz TURIEOKHIFDGLB-DTWKUNHWSA-N 0 3 197.282 0.842 20 0 ACADHN C=Cn1cc(CNC[C@H](C)O)cn1 235543506 538247749 /nfs/dbraw/zinc/24/77/49/538247749.db2.gz WQRQZSFFRKLJHD-QMMMGPOBSA-N 0 3 181.239 0.454 20 0 ACADHN C[C@H](CO)N[C@H](C)c1ccnn1C 235458539 538248324 /nfs/dbraw/zinc/24/83/24/538248324.db2.gz YUUYNGWNMLJEEZ-HTQZYQBOSA-N 0 3 183.255 0.452 20 0 ACADHN Cc1n[nH]cc1CNCCCCO 235809977 538248734 /nfs/dbraw/zinc/24/87/34/538248734.db2.gz KJIVZXSXSFRSNS-UHFFFAOYSA-N 0 3 183.255 0.580 20 0 ACADHN C=Cn1cc(CNCCO)cn1 236503566 538249648 /nfs/dbraw/zinc/24/96/48/538249648.db2.gz YTKGQCPCHRRXTF-UHFFFAOYSA-N 0 3 167.212 0.066 20 0 ACADHN C=Cn1cc(CNCCCO)cn1 236493884 538250211 /nfs/dbraw/zinc/25/02/11/538250211.db2.gz DSDFBRGEYYKUMA-UHFFFAOYSA-N 0 3 181.239 0.456 20 0 ACADHN O[C@@H]1CC[C@@H](CNCc2ncc[nH]2)C1 236534782 538250276 /nfs/dbraw/zinc/25/02/76/538250276.db2.gz BQWCMYQEDMJGPQ-RKDXNWHRSA-N 0 3 195.266 0.660 20 0 ACADHN OCCCCNCc1ccc(CO)o1 236499644 538250475 /nfs/dbraw/zinc/25/04/75/538250475.db2.gz PXGJFHYWNDHUHX-UHFFFAOYSA-N 0 3 199.250 0.634 20 0 ACADHN O[C@H]1CC[C@H](CNCc2cc[nH]n2)C1 236577080 538250675 /nfs/dbraw/zinc/25/06/75/538250675.db2.gz WYVDYYYMYLPPNW-WPRPVWTQSA-N 0 3 195.266 0.660 20 0 ACADHN O[C@H]1CC[C@@H](CNCc2cc[nH]n2)C1 236564761 538250695 /nfs/dbraw/zinc/25/06/95/538250695.db2.gz WYVDYYYMYLPPNW-SCZZXKLOSA-N 0 3 195.266 0.660 20 0 ACADHN C=Cn1cc(CNCCCCO)cn1 236500401 538251206 /nfs/dbraw/zinc/25/12/06/538251206.db2.gz SWEDKHKJVSIIBI-UHFFFAOYSA-N 0 3 195.266 0.846 20 0 ACADHN O[C@H]1CC[C@@H](CNCc2ncc[nH]2)C1 236565491 538251292 /nfs/dbraw/zinc/25/12/92/538251292.db2.gz BQWCMYQEDMJGPQ-BDAKNGLRSA-N 0 3 195.266 0.660 20 0 ACADHN O[C@H]1CC[C@H](CNCc2ncc[nH]2)C1 236578004 538251307 /nfs/dbraw/zinc/25/13/07/538251307.db2.gz BQWCMYQEDMJGPQ-IUCAKERBSA-N 0 3 195.266 0.660 20 0 ACADHN O[C@@H]1CC[C@H](CNCc2ncc[nH]2)C1 236549967 538251474 /nfs/dbraw/zinc/25/14/74/538251474.db2.gz BQWCMYQEDMJGPQ-DTWKUNHWSA-N 0 3 195.266 0.660 20 0 ACADHN O[C@@H]1CC[C@@H](CNCc2cc[nH]n2)C1 236533965 538251868 /nfs/dbraw/zinc/25/18/68/538251868.db2.gz WYVDYYYMYLPPNW-PSASIEDQSA-N 0 3 195.266 0.660 20 0 ACADHN CCCCN1C[C@H](CO)OC[C@H]1C 249807719 538256148 /nfs/dbraw/zinc/25/61/48/538256148.db2.gz ATXVIIDVDLBKEY-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN CCCCN1C[C@@H](CO)OC[C@H]1C 249807723 538256454 /nfs/dbraw/zinc/25/64/54/538256454.db2.gz ATXVIIDVDLBKEY-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@H](O)CCN1C[C@H](C)OC[C@H]1C 251555110 538260934 /nfs/dbraw/zinc/26/09/34/538260934.db2.gz CIZKGYPUAXHGGV-UTLUCORTSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@H](O)CCN1C[C@@H](C)OC[C@H]1C 251555098 538261335 /nfs/dbraw/zinc/26/13/35/538261335.db2.gz CIZKGYPUAXHGGV-KXUCPTDWSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@H](O)CCN1C[C@H](C)OC[C@@H]1C 251555089 538261569 /nfs/dbraw/zinc/26/15/69/538261569.db2.gz CIZKGYPUAXHGGV-GUBZILKMSA-N 0 3 187.283 0.867 20 0 ACADHN CCN1CCN(CCCO)C[C@H]1C 252417637 538267471 /nfs/dbraw/zinc/26/74/71/538267471.db2.gz SKOCCOOBPYOKQB-SNVBAGLBSA-N 0 3 186.299 0.395 20 0 ACADHN CN(C[C@@H](O)C1CC1)C[C@H]1CCCO1 252459291 538269101 /nfs/dbraw/zinc/26/91/01/538269101.db2.gz BHIIGUQWYBDFEL-GHMZBOCLSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@H](CO)N(C)C[C@H]1CCCCO1 252711739 538270451 /nfs/dbraw/zinc/27/04/51/538270451.db2.gz KLOHSINZWRJLFD-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@H](CO)N(C)C[C@H]1CCCO1 252714381 538272162 /nfs/dbraw/zinc/27/21/62/538272162.db2.gz RVJFPHJQGCRPMK-RKDXNWHRSA-N 0 3 173.256 0.478 20 0 ACADHN C[C@H](O)CCN(C)[C@H]1CCOC1 252726130 538275804 /nfs/dbraw/zinc/27/58/04/538275804.db2.gz NRYXLURCZDCGOF-IUCAKERBSA-N 0 3 173.256 0.478 20 0 ACADHN C[C@@H](O)CCN(C)[C@H]1CCOC1 252726129 538277055 /nfs/dbraw/zinc/27/70/55/538277055.db2.gz NRYXLURCZDCGOF-BDAKNGLRSA-N 0 3 173.256 0.478 20 0 ACADHN C[C@@H]1CN([C@H]2CCOC2)CC[C@H]1O 253290686 538284098 /nfs/dbraw/zinc/28/40/98/538284098.db2.gz PZVUKJWENSPLHR-KXUCPTDWSA-N 0 3 185.267 0.478 20 0 ACADHN C[C@@H]1CN([C@@H]2CCOC2)CC[C@H]1O 253290687 538284246 /nfs/dbraw/zinc/28/42/46/538284246.db2.gz PZVUKJWENSPLHR-OPRDCNLKSA-N 0 3 185.267 0.478 20 0 ACADHN C[C@@H]1CN([C@H]2CCOC2)CC[C@@H]1O 253290688 538284394 /nfs/dbraw/zinc/28/43/94/538284394.db2.gz PZVUKJWENSPLHR-UTLUCORTSA-N 0 3 185.267 0.478 20 0 ACADHN OCC1(CNCc2ccco2)COC1 258778925 538288061 /nfs/dbraw/zinc/28/80/61/538288061.db2.gz ZMVTVMVBQWHJOP-UHFFFAOYSA-N 0 3 197.234 0.378 20 0 ACADHN CNC(=O)[C@@H](CN)c1cccc(C)c1 258691857 538288145 /nfs/dbraw/zinc/28/81/45/538288145.db2.gz XDHRQZMQTRLWHR-JTQLQIEISA-N 0 3 192.262 0.783 20 0 ACADHN Cc1cccc([C@H](CN)C(N)=O)c1 258497705 538288225 /nfs/dbraw/zinc/28/82/25/538288225.db2.gz CYGIRHSAEYMGCE-VIFPVBQESA-N 0 3 178.235 0.523 20 0 ACADHN NCc1cn(C2CCC2)c(=O)[nH]c1=O 257942621 538288507 /nfs/dbraw/zinc/28/85/07/538288507.db2.gz QZQBPOXPYNSSSX-UHFFFAOYSA-N 0 3 195.222 0.133 20 0 ACADHN Cc1cccc([C@@H](CN)C(N)=O)c1 258497703 538288582 /nfs/dbraw/zinc/28/85/82/538288582.db2.gz CYGIRHSAEYMGCE-SECBINFHSA-N 0 3 178.235 0.523 20 0 ACADHN CNC(=O)[C@H](CN)c1cccc(C)c1 258691862 538289059 /nfs/dbraw/zinc/28/90/59/538289059.db2.gz XDHRQZMQTRLWHR-SNVBAGLBSA-N 0 3 192.262 0.783 20 0 ACADHN CC(C)CCCN(C)CC(N)=O 259126152 538292550 /nfs/dbraw/zinc/29/25/50/538292550.db2.gz QHMQQOOZOLIDNB-UHFFFAOYSA-N 0 3 172.272 0.840 20 0 ACADHN CC(=O)N1CC[C@@]2(CCN(C)C2)C1 306148721 538298058 /nfs/dbraw/zinc/29/80/58/538298058.db2.gz BGLYWUNGJJRNEM-SNVBAGLBSA-N 0 3 182.267 0.561 20 0 ACADHN CC(=O)N1CC[C@]2(CCN(C)C2)C1 306148720 538298103 /nfs/dbraw/zinc/29/81/03/538298103.db2.gz BGLYWUNGJJRNEM-JTQLQIEISA-N 0 3 182.267 0.561 20 0 ACADHN NC[C@@H]1NCCOc2ccccc21 306423030 538303779 /nfs/dbraw/zinc/30/37/79/538303779.db2.gz FAPWADLYJVYQQG-VIFPVBQESA-N 0 3 178.235 0.668 20 0 ACADHN NC[C@H]1NCCOc2ccccc21 306423027 538303993 /nfs/dbraw/zinc/30/39/93/538303993.db2.gz FAPWADLYJVYQQG-SECBINFHSA-N 0 3 178.235 0.668 20 0 ACADHN Nc1ccncc1[C@@H](O)c1cn[nH]c1 306407967 538304166 /nfs/dbraw/zinc/30/41/66/538304166.db2.gz ZMDOPEQCKMSHQK-VIFPVBQESA-N 0 3 190.206 0.469 20 0 ACADHN Nc1ccncc1[C@H](O)c1cn[nH]c1 306407966 538304266 /nfs/dbraw/zinc/30/42/66/538304266.db2.gz ZMDOPEQCKMSHQK-SECBINFHSA-N 0 3 190.206 0.469 20 0 ACADHN Cc1nnc(NCCN(C)C)o1 306492439 538305584 /nfs/dbraw/zinc/30/55/84/538305584.db2.gz PLAVGPVIFZWWPG-UHFFFAOYSA-N 0 3 170.216 0.352 20 0 ACADHN CCn1ccc(NC(=O)[C@H]2CCN2)n1 306523987 538306312 /nfs/dbraw/zinc/30/63/12/538306312.db2.gz WNHQFDQKXGDBJT-SSDOTTSWSA-N 0 3 194.238 0.203 20 0 ACADHN COC1CC2(C1)NCCc1nc[nH]c12 306869883 538311120 /nfs/dbraw/zinc/31/11/20/538311120.db2.gz SQMQWGUAGAYZNT-UHFFFAOYSA-N 0 3 193.250 0.560 20 0 ACADHN Nc1ncn(CCN2CCCCC2)n1 307159536 538313616 /nfs/dbraw/zinc/31/36/16/538313616.db2.gz JJBMDWHJNVFNDO-UHFFFAOYSA-N 0 3 195.270 0.346 20 0 ACADHN Cc1cn(C[C@@H]2CCCN2C)nc1N 307290072 538313975 /nfs/dbraw/zinc/31/39/75/538313975.db2.gz ZUZNCNATHNYRPD-VIFPVBQESA-N 0 3 194.282 0.868 20 0 ACADHN Cc1cn(C[C@H]2CCCN2C)nc1N 307290071 538314243 /nfs/dbraw/zinc/31/42/43/538314243.db2.gz ZUZNCNATHNYRPD-SECBINFHSA-N 0 3 194.282 0.868 20 0 ACADHN O=C1NCCCNC12CCCC2 307272620 538314869 /nfs/dbraw/zinc/31/48/69/538314869.db2.gz GCMWRLUFIKNYQL-UHFFFAOYSA-N 0 3 168.240 0.409 20 0 ACADHN CCN1CCN([C@H]2CC[C@@H]2O)CC1 307463866 538315961 /nfs/dbraw/zinc/31/59/61/538315961.db2.gz GUOIVNPPXBEUPW-UWVGGRQHSA-N 0 3 184.283 0.147 20 0 ACADHN CCN1CCN([C@H]2CC[C@H]2O)CC1 307463869 538316169 /nfs/dbraw/zinc/31/61/69/538316169.db2.gz GUOIVNPPXBEUPW-VHSXEESVSA-N 0 3 184.283 0.147 20 0 ACADHN CCN1CCN([C@@H]2CC[C@H]2O)CC1 307463864 538316442 /nfs/dbraw/zinc/31/64/42/538316442.db2.gz GUOIVNPPXBEUPW-NXEZZACHSA-N 0 3 184.283 0.147 20 0 ACADHN CCN1CCN([C@@H]2CC[C@@H]2O)CC1 307463870 538316622 /nfs/dbraw/zinc/31/66/22/538316622.db2.gz GUOIVNPPXBEUPW-ZJUUUORDSA-N 0 3 184.283 0.147 20 0 ACADHN CCNC(=O)CN(C)[C@@H](C)CC 379313531 538336844 /nfs/dbraw/zinc/33/68/44/538336844.db2.gz ICVLCDUWAQYDRM-QMMMGPOBSA-N 0 3 172.272 0.853 20 0 ACADHN CCCC[C@H](C)N(C)CC(N)=O 379313720 538336866 /nfs/dbraw/zinc/33/68/66/538336866.db2.gz JKKXEUGIEIWJJV-QMMMGPOBSA-N 0 3 172.272 0.982 20 0 ACADHN CCNC(=O)CN(C)[C@H](C)CC 379313530 538337296 /nfs/dbraw/zinc/33/72/96/538337296.db2.gz ICVLCDUWAQYDRM-MRVPVSSYSA-N 0 3 172.272 0.853 20 0 ACADHN CCCC[C@@H](C)N(C)CC(N)=O 379313719 538337831 /nfs/dbraw/zinc/33/78/31/538337831.db2.gz JKKXEUGIEIWJJV-MRVPVSSYSA-N 0 3 172.272 0.982 20 0 ACADHN CCC(CC)CN(C)CC(N)=O 379310939 538338114 /nfs/dbraw/zinc/33/81/14/538338114.db2.gz DIBZJBDNUAAOQS-UHFFFAOYSA-N 0 3 172.272 0.840 20 0 ACADHN CC(C)N(C)CC(=O)NCCF 379316631 538342517 /nfs/dbraw/zinc/34/25/17/538342517.db2.gz BGUPSTSERLCKSY-UHFFFAOYSA-N 0 3 176.235 0.412 20 0 ACADHN CC(C)CCNC1(C(N)=O)CC1 379315630 538342688 /nfs/dbraw/zinc/34/26/88/538342688.db2.gz SWQWYWPACBLZNJ-UHFFFAOYSA-N 0 3 170.256 0.640 20 0 ACADHN CCN(CCC1CC1)CC(N)=O 379324497 538343201 /nfs/dbraw/zinc/34/32/01/538343201.db2.gz ZCERHKFGKNDCND-UHFFFAOYSA-N 0 3 170.256 0.594 20 0 ACADHN C[C@@H](CC(=O)N(C)C)NCCF 379322394 538343389 /nfs/dbraw/zinc/34/33/89/538343389.db2.gz IUVUCFYPYNXBDG-ZETCQYMHSA-N 0 3 176.235 0.412 20 0 ACADHN CN(CC1(CO)COC1)C1CC1 379323618 538343752 /nfs/dbraw/zinc/34/37/52/538343752.db2.gz ROQIIMIRNBOUPM-UHFFFAOYSA-N 0 3 171.240 0.090 20 0 ACADHN C[C@H](CC(=O)N(C)C)NCCF 379322393 538345130 /nfs/dbraw/zinc/34/51/30/538345130.db2.gz IUVUCFYPYNXBDG-SSDOTTSWSA-N 0 3 176.235 0.412 20 0 ACADHN CCN(CC(N)=O)CC(C)(C)C 379321504 538346023 /nfs/dbraw/zinc/34/60/23/538346023.db2.gz COOFXFGBDKOIKK-UHFFFAOYSA-N 0 3 172.272 0.840 20 0 ACADHN COCCOCCN(C)C1CC1 379327876 538346941 /nfs/dbraw/zinc/34/69/41/538346941.db2.gz MVVORFDRTMMEQS-UHFFFAOYSA-N 0 3 173.256 0.744 20 0 ACADHN CC[C@H](C(=O)NC1CC1)N(C)C 379327950 538346964 /nfs/dbraw/zinc/34/69/64/538346964.db2.gz NEYIPXZXAPFBLP-MRVPVSSYSA-N 0 3 170.256 0.605 20 0 ACADHN C[C@@H](CO)N[C@@H](C)c1cn[nH]c1 379328415 538347270 /nfs/dbraw/zinc/34/72/70/538347270.db2.gz PGWISIOZJLXYIA-BQBZGAKWSA-N 0 3 169.228 0.441 20 0 ACADHN C[C@@H](CO)N[C@H](C)c1cn[nH]c1 379328416 538347390 /nfs/dbraw/zinc/34/73/90/538347390.db2.gz PGWISIOZJLXYIA-NKWVEPMBSA-N 0 3 169.228 0.441 20 0 ACADHN CC[C@@H](C(=O)NC1CC1)N(C)C 379327951 538347594 /nfs/dbraw/zinc/34/75/94/538347594.db2.gz NEYIPXZXAPFBLP-QMMMGPOBSA-N 0 3 170.256 0.605 20 0 ACADHN CN(CCO)CCOCC(F)F 379326816 538347645 /nfs/dbraw/zinc/34/76/45/538347645.db2.gz JBLDTQOGQLPOMW-UHFFFAOYSA-N 0 3 183.198 0.192 20 0 ACADHN CCCN(CC(N)=O)C(C)(C)C 379326048 538349205 /nfs/dbraw/zinc/34/92/05/538349205.db2.gz GADOCQXBQXOONL-UHFFFAOYSA-N 0 3 172.272 0.982 20 0 ACADHN CC(=O)N(CCN(C)C)C1CC1 379329651 538349758 /nfs/dbraw/zinc/34/97/58/538349758.db2.gz VRQUEIXJLIKMQI-UHFFFAOYSA-N 0 3 170.256 0.559 20 0 ACADHN CC[C@H](C(=O)NC)N(CC)CC 379329881 538349788 /nfs/dbraw/zinc/34/97/88/538349788.db2.gz WJAMHLAPRHVXNW-MRVPVSSYSA-N 0 3 172.272 0.853 20 0 ACADHN CNC(=O)CN(C)CCC(C)C 379333085 538351633 /nfs/dbraw/zinc/35/16/33/538351633.db2.gz KZFDWLFJQSVJHE-UHFFFAOYSA-N 0 3 172.272 0.710 20 0 ACADHN CC[C@@H](C(=O)NC)N(CC)CC 379329882 538351815 /nfs/dbraw/zinc/35/18/15/538351815.db2.gz WJAMHLAPRHVXNW-QMMMGPOBSA-N 0 3 172.272 0.853 20 0 ACADHN OCCCN(CCO)CCCF 379336653 538353668 /nfs/dbraw/zinc/35/36/68/538353668.db2.gz RSOGKFAEYKXXFF-UHFFFAOYSA-N 0 3 179.235 0.023 20 0 ACADHN C[C@H](C(N)=O)N(C)CCC1CC1 379336139 538354825 /nfs/dbraw/zinc/35/48/25/538354825.db2.gz ZKOIXRVFCHSNDN-SSDOTTSWSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@@H](NCCN(C)C)c1cn[nH]c1 379346601 538357253 /nfs/dbraw/zinc/35/72/53/538357253.db2.gz FZEFTQLKBJSTOY-MRVPVSSYSA-N 0 3 182.271 0.622 20 0 ACADHN C[C@H](NCCN(C)C)c1cn[nH]c1 379346602 538357339 /nfs/dbraw/zinc/35/73/39/538357339.db2.gz FZEFTQLKBJSTOY-QMMMGPOBSA-N 0 3 182.271 0.622 20 0 ACADHN CC(C)N(CCO)Cc1cn[nH]c1 379345916 538357655 /nfs/dbraw/zinc/35/76/55/538357655.db2.gz DKUOWKLDENAYOG-UHFFFAOYSA-N 0 3 183.255 0.612 20 0 ACADHN Cc1cnn(C)c1CNC[C@H](C)O 379353174 538361259 /nfs/dbraw/zinc/36/12/59/538361259.db2.gz DXFYOPZQGXDNRG-QMMMGPOBSA-N 0 3 183.255 0.199 20 0 ACADHN O[C@@H]1CCN(CCOC2CCC2)C1 379356790 538361566 /nfs/dbraw/zinc/36/15/66/538361566.db2.gz PJJABKPVJNNRNM-SECBINFHSA-N 0 3 185.267 0.622 20 0 ACADHN CN(CCCCF)[C@@H]1CCNC1=O 379361472 538362292 /nfs/dbraw/zinc/36/22/92/538362292.db2.gz FIKUPAAZGUOLEV-MRVPVSSYSA-N 0 3 188.246 0.556 20 0 ACADHN Cc1c[nH]nc1CNC(C)(C)CO 379358068 538364126 /nfs/dbraw/zinc/36/41/26/538364126.db2.gz UIUDLZXFPFFJOH-UHFFFAOYSA-N 0 3 183.255 0.579 20 0 ACADHN CN(CCCCF)[C@H]1CCNC1=O 379361474 538364404 /nfs/dbraw/zinc/36/44/04/538364404.db2.gz FIKUPAAZGUOLEV-QMMMGPOBSA-N 0 3 188.246 0.556 20 0 ACADHN Cn1cc(C(C)(C)NCCO)cn1 379361262 538365237 /nfs/dbraw/zinc/36/52/37/538365237.db2.gz DYCYBTARVMOOFU-UHFFFAOYSA-N 0 3 183.255 0.237 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)NCCF 379367232 538365998 /nfs/dbraw/zinc/36/59/98/538365998.db2.gz ULIAGJLGQDWRJC-ZETCQYMHSA-N 0 3 191.250 0.205 20 0 ACADHN CC(C)=CCN(CCO)C[C@H](C)O 379364524 538366407 /nfs/dbraw/zinc/36/64/07/538366407.db2.gz HVIXNXRRBZNFKT-JTQLQIEISA-N 0 3 187.283 0.628 20 0 ACADHN CCN(CCCCCF)CC(N)=O 379365752 538367067 /nfs/dbraw/zinc/36/70/67/538367067.db2.gz PRYMRNJFBVSEOF-UHFFFAOYSA-N 0 3 190.262 0.933 20 0 ACADHN CC(C)=CCN(CCO)C[C@@H](C)O 379364525 538367329 /nfs/dbraw/zinc/36/73/29/538367329.db2.gz HVIXNXRRBZNFKT-SNVBAGLBSA-N 0 3 187.283 0.628 20 0 ACADHN Cc1c[nH]nc1CNCCCCO 379365939 538367595 /nfs/dbraw/zinc/36/75/95/538367595.db2.gz QKXSVCLRZXXTNI-UHFFFAOYSA-N 0 3 183.255 0.580 20 0 ACADHN CCOC[C@@H](C)NC1(C(N)=O)CC1 379377534 538370128 /nfs/dbraw/zinc/37/01/28/538370128.db2.gz YAQHMOCVYJZMOH-SSDOTTSWSA-N 0 3 186.255 0.019 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)C1CCC1 379377108 538370263 /nfs/dbraw/zinc/37/02/63/538370263.db2.gz WGVVJLQHVKUSCT-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN CCOC[C@H](C)NC1(C(N)=O)CC1 379377535 538371104 /nfs/dbraw/zinc/37/11/04/538371104.db2.gz YAQHMOCVYJZMOH-ZETCQYMHSA-N 0 3 186.255 0.019 20 0 ACADHN CCNC(=O)CNC1CC(C)(C)C1 379376241 538371268 /nfs/dbraw/zinc/37/12/68/538371268.db2.gz SKASDFSJLAHZPF-UHFFFAOYSA-N 0 3 184.283 0.901 20 0 ACADHN CCN(CC)CC(=O)NCC(F)F 379376650 538371937 /nfs/dbraw/zinc/37/19/37/538371937.db2.gz UKLKZFKVPHMJEA-UHFFFAOYSA-N 0 3 194.225 0.710 20 0 ACADHN CNC(=O)CN(C)[C@@H](C)CCOC 379382027 538372919 /nfs/dbraw/zinc/37/29/19/538372919.db2.gz DMDDETBIOYGTNG-QMMMGPOBSA-N 0 3 188.271 0.089 20 0 ACADHN CNC(=O)CN(C)[C@H](C)CCOC 379382025 538374640 /nfs/dbraw/zinc/37/46/40/538374640.db2.gz DMDDETBIOYGTNG-MRVPVSSYSA-N 0 3 188.271 0.089 20 0 ACADHN C[C@H](O)CN(C)CCOC1CCC1 379379874 538374907 /nfs/dbraw/zinc/37/49/07/538374907.db2.gz CTORAESSZWKBLC-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN c1ncc(CNCCN2CCC2)s1 379382174 538376311 /nfs/dbraw/zinc/37/63/11/538376311.db2.gz IEBAVDXIJTWRBQ-UHFFFAOYSA-N 0 3 197.307 0.938 20 0 ACADHN CCNC(=O)CN(C)C[C@@H]1C[C@H]1C 379383837 538378284 /nfs/dbraw/zinc/37/82/84/538378284.db2.gz LOYFZHPXYYFXAC-BDAKNGLRSA-N 0 3 184.283 0.710 20 0 ACADHN CCNC(=O)CN(C)C[C@@H]1C[C@@H]1C 379383839 538378872 /nfs/dbraw/zinc/37/88/72/538378872.db2.gz LOYFZHPXYYFXAC-IUCAKERBSA-N 0 3 184.283 0.710 20 0 ACADHN CCNC(=O)CN(C)C[C@H]1C[C@H]1C 379383840 538378958 /nfs/dbraw/zinc/37/89/58/538378958.db2.gz LOYFZHPXYYFXAC-RKDXNWHRSA-N 0 3 184.283 0.710 20 0 ACADHN NC(=O)[C@H]1CCCCN1CCCF 379384917 538379019 /nfs/dbraw/zinc/37/90/19/538379019.db2.gz QOYKDKPKUHLBQL-MRVPVSSYSA-N 0 3 188.246 0.686 20 0 ACADHN CCNC(=O)CN(C)C[C@H]1C[C@@H]1C 379383838 538379217 /nfs/dbraw/zinc/37/92/17/538379217.db2.gz LOYFZHPXYYFXAC-DTWKUNHWSA-N 0 3 184.283 0.710 20 0 ACADHN NC(=O)[C@@H]1CCCCN1CCCF 379384918 538379371 /nfs/dbraw/zinc/37/93/71/538379371.db2.gz QOYKDKPKUHLBQL-QMMMGPOBSA-N 0 3 188.246 0.686 20 0 ACADHN CC(C)[C@@H](C(=O)NCCF)N(C)C 379388764 538380942 /nfs/dbraw/zinc/38/09/42/538380942.db2.gz KBHNBZYQTRFYNM-QMMMGPOBSA-N 0 3 190.262 0.658 20 0 ACADHN CCN(CCO)CCOCC(F)F 379386221 538381039 /nfs/dbraw/zinc/38/10/39/538381039.db2.gz WVBQWTOISZBKND-UHFFFAOYSA-N 0 3 197.225 0.582 20 0 ACADHN C[C@H](O)CN(C)Cc1cccn1C 379385427 538382369 /nfs/dbraw/zinc/38/23/69/538382369.db2.gz SWSKDOMGVQQYTA-VIFPVBQESA-N 0 3 182.267 0.838 20 0 ACADHN CCn1ccc(CN(C)CCO)c1 379387573 538382467 /nfs/dbraw/zinc/38/24/67/538382467.db2.gz HSXGMQDIDNMYBY-UHFFFAOYSA-N 0 3 182.267 0.932 20 0 ACADHN CCCN(C)CC(=O)N1CC(F)C1 379389760 538384463 /nfs/dbraw/zinc/38/44/63/538384463.db2.gz MGGDULBCXLTAAW-UHFFFAOYSA-N 0 3 188.246 0.509 20 0 ACADHN Cc1c[nH]nc1CNC[C@H](C)CO 379392776 538385354 /nfs/dbraw/zinc/38/53/54/538385354.db2.gz SRCFPEUPCRMGEE-ZETCQYMHSA-N 0 3 183.255 0.436 20 0 ACADHN C[C@H](NCC1CC1)c1ncnn1C 379394740 538386103 /nfs/dbraw/zinc/38/61/03/538386103.db2.gz YADMVRWBDRHGJA-ZETCQYMHSA-N 0 3 180.255 0.876 20 0 ACADHN C[C@@H](NCC1CC1)c1ncnn1C 379394739 538386649 /nfs/dbraw/zinc/38/66/49/538386649.db2.gz YADMVRWBDRHGJA-SSDOTTSWSA-N 0 3 180.255 0.876 20 0 ACADHN Cc1c[nH]nc1CNC[C@@H](C)CO 379392775 538387174 /nfs/dbraw/zinc/38/71/74/538387174.db2.gz SRCFPEUPCRMGEE-SSDOTTSWSA-N 0 3 183.255 0.436 20 0 ACADHN CCCN(C)CC(=O)N1CCCC1 379393887 538387184 /nfs/dbraw/zinc/38/71/84/538387184.db2.gz VXCCPWFBAFEWQQ-UHFFFAOYSA-N 0 3 184.283 0.951 20 0 ACADHN CO[C@H]1CN(CCCF)C[C@H]1OC 379398386 538390608 /nfs/dbraw/zinc/39/06/08/538390608.db2.gz SWWZSXKTSXCZPK-DTORHVGOSA-N 0 3 191.246 0.692 20 0 ACADHN COCC1(N[C@H](C)CC(N)=O)CC1 379400902 538391607 /nfs/dbraw/zinc/39/16/07/538391607.db2.gz JRPJPINJISYWCR-SSDOTTSWSA-N 0 3 186.255 0.019 20 0 ACADHN COCC1(N[C@@H](C)CC(N)=O)CC1 379400903 538392569 /nfs/dbraw/zinc/39/25/69/538392569.db2.gz JRPJPINJISYWCR-ZETCQYMHSA-N 0 3 186.255 0.019 20 0 ACADHN COCCC(=O)N[C@@H](C)CN(C)C 379400689 538395038 /nfs/dbraw/zinc/39/50/38/538395038.db2.gz JETVYQLQSFWEDQ-QMMMGPOBSA-N 0 3 188.271 0.089 20 0 ACADHN COCCNC(=O)CN(C)C(C)C 379404472 538398026 /nfs/dbraw/zinc/39/80/26/538398026.db2.gz RPAKFGZTFNDPSU-UHFFFAOYSA-N 0 3 188.271 0.089 20 0 ACADHN COC[C@@H](C)N(C)Cc1cnc[nH]1 379407094 538401032 /nfs/dbraw/zinc/40/10/32/538401032.db2.gz YAGYJRZXXRMARF-MRVPVSSYSA-N 0 3 183.255 0.876 20 0 ACADHN COCCCCNC1(C(N)=O)CC1 379406379 538402487 /nfs/dbraw/zinc/40/24/87/538402487.db2.gz WFEDNTVDAIQEFJ-UHFFFAOYSA-N 0 3 186.255 0.021 20 0 ACADHN COC[C@H](C)N(C)Cc1cnc[nH]1 379407095 538402583 /nfs/dbraw/zinc/40/25/83/538402583.db2.gz YAGYJRZXXRMARF-QMMMGPOBSA-N 0 3 183.255 0.876 20 0 ACADHN CN(C)CCN(C)C(=O)CC1CC1 379413893 538405930 /nfs/dbraw/zinc/40/59/30/538405930.db2.gz MVDGKHMJWMAYAN-UHFFFAOYSA-N 0 3 184.283 0.807 20 0 ACADHN CC(C)N(C)C(=O)NCCN(C)C 379413829 538407532 /nfs/dbraw/zinc/40/75/32/538407532.db2.gz MQQDRXOYCJCLLY-UHFFFAOYSA-N 0 3 187.287 0.598 20 0 ACADHN CCC1(CO)CCN(CCO)CC1 379416632 538408052 /nfs/dbraw/zinc/40/80/52/538408052.db2.gz SCALPESOZYUDDI-UHFFFAOYSA-N 0 3 187.283 0.463 20 0 ACADHN CC[C@H]1CC[C@H]1NC1(C(N)=O)CC1 379415885 538408158 /nfs/dbraw/zinc/40/81/58/538408158.db2.gz QKLQKFLQBFMEGB-JGVFFNPUSA-N 0 3 182.267 0.783 20 0 ACADHN CC[C@@H]1CC[C@@H]1NC1(C(N)=O)CC1 379415886 538408574 /nfs/dbraw/zinc/40/85/74/538408574.db2.gz QKLQKFLQBFMEGB-SFYZADRCSA-N 0 3 182.267 0.783 20 0 ACADHN CC[C@@H](C(=O)NCCCF)N(C)C 379416218 538409158 /nfs/dbraw/zinc/40/91/58/538409158.db2.gz RHKKZXOLIMMXCC-QMMMGPOBSA-N 0 3 190.262 0.802 20 0 ACADHN CC[C@@H]1CC[C@H]1NC1(C(N)=O)CC1 379415884 538409176 /nfs/dbraw/zinc/40/91/76/538409176.db2.gz QKLQKFLQBFMEGB-HTQZYQBOSA-N 0 3 182.267 0.783 20 0 ACADHN CC[C@H](C(=O)NCCCF)N(C)C 379416217 538409202 /nfs/dbraw/zinc/40/92/02/538409202.db2.gz RHKKZXOLIMMXCC-MRVPVSSYSA-N 0 3 190.262 0.802 20 0 ACADHN CC[C@H]1CC[C@@H]1NC1(C(N)=O)CC1 379415887 538409852 /nfs/dbraw/zinc/40/98/52/538409852.db2.gz QKLQKFLQBFMEGB-YUMQZZPRSA-N 0 3 182.267 0.783 20 0 ACADHN CCCN1CCOC[C@@H]1C[C@H](C)O 379418821 538411120 /nfs/dbraw/zinc/41/11/20/538411120.db2.gz WUMJUWKVDBOJBE-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN CCCN1CCOC[C@H]1C[C@@H](C)O 379418820 538411285 /nfs/dbraw/zinc/41/12/85/538411285.db2.gz WUMJUWKVDBOJBE-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN CCCN1CCOC[C@H]1C[C@H](C)O 379418822 538411649 /nfs/dbraw/zinc/41/16/49/538411649.db2.gz WUMJUWKVDBOJBE-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN CCCN1CCOC[C@@H]1C[C@@H](C)O 379418823 538411762 /nfs/dbraw/zinc/41/17/62/538411762.db2.gz WUMJUWKVDBOJBE-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN CCN(CC(N)=O)CC1CCCC1 379419693 538411791 /nfs/dbraw/zinc/41/17/91/538411791.db2.gz YUJDNTRPWMKESA-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN C[C@H]1CC[C@H](CNC2(C(N)=O)CC2)O1 379573074 538415995 /nfs/dbraw/zinc/41/59/95/538415995.db2.gz HUVYXRXERDGHFK-JGVFFNPUSA-N 0 3 198.266 0.161 20 0 ACADHN C[C@@H]1CC[C@@H](CNC2(C(N)=O)CC2)O1 379573077 538416236 /nfs/dbraw/zinc/41/62/36/538416236.db2.gz HUVYXRXERDGHFK-SFYZADRCSA-N 0 3 198.266 0.161 20 0 ACADHN Cc1c[nH]nc1CNC(C)(C)CCO 379579448 538416424 /nfs/dbraw/zinc/41/64/24/538416424.db2.gz WQIBPEZKDKFEOA-UHFFFAOYSA-N 0 3 197.282 0.969 20 0 ACADHN NC(=O)C1(NCC[C@@H]2CCOC2)CC1 379576788 538416431 /nfs/dbraw/zinc/41/64/31/538416431.db2.gz ORPRALJCJUREKM-MRVPVSSYSA-N 0 3 198.266 0.021 20 0 ACADHN Cc1c[nH]nc1CNC[C@@H](O)C1CC1 379572135 538416572 /nfs/dbraw/zinc/41/65/72/538416572.db2.gz GKMHZEACWNSDNZ-SNVBAGLBSA-N 0 3 195.266 0.579 20 0 ACADHN CC(C)n1nccc1CNCCCO 379578222 538416476 /nfs/dbraw/zinc/41/64/76/538416476.db2.gz SVTJMIWNBVKDEU-UHFFFAOYSA-N 0 3 197.282 0.936 20 0 ACADHN CC[C@H](CNCc1cnnn1C)OC 379571443 538416618 /nfs/dbraw/zinc/41/66/18/538416618.db2.gz FAMAJMWAZWPCPG-SECBINFHSA-N 0 3 198.270 0.330 20 0 ACADHN C[C@H]1CC[C@@H](CNC2(C(N)=O)CC2)O1 379573078 538416660 /nfs/dbraw/zinc/41/66/60/538416660.db2.gz HUVYXRXERDGHFK-YUMQZZPRSA-N 0 3 198.266 0.161 20 0 ACADHN CC[C@H](O)CCNCc1n[nH]cc1C 379575435 538417058 /nfs/dbraw/zinc/41/70/58/538417058.db2.gz JWONJMSPAXLPLA-VIFPVBQESA-N 0 3 197.282 0.969 20 0 ACADHN C[C@@H]1CC[C@H](CNC2(C(N)=O)CC2)O1 379573068 538417091 /nfs/dbraw/zinc/41/70/91/538417091.db2.gz HUVYXRXERDGHFK-HTQZYQBOSA-N 0 3 198.266 0.161 20 0 ACADHN CC(C)n1nccc1CNC[C@H](C)O 379573032 538417224 /nfs/dbraw/zinc/41/72/24/538417224.db2.gz HSNUCYANXANQQW-VIFPVBQESA-N 0 3 197.282 0.934 20 0 ACADHN CC[C@@H](CNCc1cnnn1C)OC 379571444 538417246 /nfs/dbraw/zinc/41/72/46/538417246.db2.gz FAMAJMWAZWPCPG-VIFPVBQESA-N 0 3 198.270 0.330 20 0 ACADHN Cc1c[nH]nc1CNC[C@H](O)C1CC1 379572131 538417250 /nfs/dbraw/zinc/41/72/50/538417250.db2.gz GKMHZEACWNSDNZ-JTQLQIEISA-N 0 3 195.266 0.579 20 0 ACADHN CC[C@@H](O)CCNCc1n[nH]cc1C 379575432 538417296 /nfs/dbraw/zinc/41/72/96/538417296.db2.gz JWONJMSPAXLPLA-SECBINFHSA-N 0 3 197.282 0.969 20 0 ACADHN NC(=O)C1(NCC[C@H]2CCOC2)CC1 379576789 538417301 /nfs/dbraw/zinc/41/73/01/538417301.db2.gz ORPRALJCJUREKM-QMMMGPOBSA-N 0 3 198.266 0.021 20 0 ACADHN C[C@H](O)CCN(C)CCc1cn[nH]c1 379586820 538417763 /nfs/dbraw/zinc/41/77/63/538417763.db2.gz RNJPVWCGVBCYMA-VIFPVBQESA-N 0 3 197.282 0.655 20 0 ACADHN CC(C)[C@](C)(CO)NCc1cc[nH]n1 379584397 538417898 /nfs/dbraw/zinc/41/78/98/538417898.db2.gz OGTHWMJNITXBEJ-JTQLQIEISA-N 0 3 197.282 0.906 20 0 ACADHN COCC1(NCc2c[nH]nc2C)CC1 379589101 538417921 /nfs/dbraw/zinc/41/79/21/538417921.db2.gz UXBYALAFFXUEKK-UHFFFAOYSA-N 0 3 195.266 0.987 20 0 ACADHN COCC1(NCc2[nH]ncc2C)CC1 379584396 538418362 /nfs/dbraw/zinc/41/83/62/538418362.db2.gz OGSBJCGTBKFTNA-UHFFFAOYSA-N 0 3 195.266 0.987 20 0 ACADHN C[C@@H](O)CCN(C)CCc1cn[nH]c1 379586819 538418475 /nfs/dbraw/zinc/41/84/75/538418475.db2.gz RNJPVWCGVBCYMA-SECBINFHSA-N 0 3 197.282 0.655 20 0 ACADHN CC(C)[C@@](C)(CO)NCc1cc[nH]n1 379584398 538418789 /nfs/dbraw/zinc/41/87/89/538418789.db2.gz OGTHWMJNITXBEJ-SNVBAGLBSA-N 0 3 197.282 0.906 20 0 ACADHN Cc1c[nH]nc1CNCCC[C@@H](C)O 379598408 538419466 /nfs/dbraw/zinc/41/94/66/538419466.db2.gz HIVDIYDHBVFHRV-SECBINFHSA-N 0 3 197.282 0.969 20 0 ACADHN CN(C)C(=O)CNCC1=CCCOC1 379598512 538420143 /nfs/dbraw/zinc/42/01/43/538420143.db2.gz HOIIUDGKJQOHIA-UHFFFAOYSA-N 0 3 198.266 0.011 20 0 ACADHN Cc1c[nH]nc1CNCCC[C@H](C)O 379598413 538420683 /nfs/dbraw/zinc/42/06/83/538420683.db2.gz HIVDIYDHBVFHRV-VIFPVBQESA-N 0 3 197.282 0.969 20 0 ACADHN c1c[nH]c(CNCCc2cn[nH]c2)n1 379601747 538421369 /nfs/dbraw/zinc/42/13/69/538421369.db2.gz MEFODFZHANWJCC-UHFFFAOYSA-N 0 3 191.238 0.465 20 0 ACADHN C[C@H](NCc1cn(C)cn1)C(C)(C)O 379607773 538421658 /nfs/dbraw/zinc/42/16/58/538421658.db2.gz RJGAIOCCDRBFIO-QMMMGPOBSA-N 0 3 197.282 0.669 20 0 ACADHN CCOC1CC(NC2(C(N)=O)CC2)C1 379604914 538421846 /nfs/dbraw/zinc/42/18/46/538421846.db2.gz PLRDHPUPYBSPBG-UHFFFAOYSA-N 0 3 198.266 0.161 20 0 ACADHN CO[C@@H](C)[C@@H](C)NCc1cncn1C 379602938 538421962 /nfs/dbraw/zinc/42/19/62/538421962.db2.gz NBFYYXKPQSEDSC-BDAKNGLRSA-N 0 3 197.282 0.933 20 0 ACADHN OCCN(CCc1cn[nH]c1)C1CC1 379601803 538422008 /nfs/dbraw/zinc/42/20/08/538422008.db2.gz MFNVOYSXHIYMSA-UHFFFAOYSA-N 0 3 195.266 0.409 20 0 ACADHN Cn1nccc1CNCCN1CCC1 379602866 538422040 /nfs/dbraw/zinc/42/20/40/538422040.db2.gz MYFCDNOCCXUJJR-UHFFFAOYSA-N 0 3 194.282 0.215 20 0 ACADHN CC[C@H](NCCCO)c1ccn(C)n1 379609464 538422204 /nfs/dbraw/zinc/42/22/04/538422204.db2.gz SDQRYARGGBTWTC-VIFPVBQESA-N 0 3 197.282 0.843 20 0 ACADHN CC[C@@H](NCCCO)c1ccn(C)n1 379609463 538422262 /nfs/dbraw/zinc/42/22/62/538422262.db2.gz SDQRYARGGBTWTC-SECBINFHSA-N 0 3 197.282 0.843 20 0 ACADHN CO[C@H](C)[C@@H](C)NCc1cncn1C 379602940 538422292 /nfs/dbraw/zinc/42/22/92/538422292.db2.gz NBFYYXKPQSEDSC-RKDXNWHRSA-N 0 3 197.282 0.933 20 0 ACADHN CCNC(=O)CNCC1=CCCOC1 379610376 538422667 /nfs/dbraw/zinc/42/26/67/538422667.db2.gz SXZDBJLPDQWEHC-UHFFFAOYSA-N 0 3 198.266 0.059 20 0 ACADHN C[C@H](NCc1cnnn1C)C(C)(C)O 379615323 538422892 /nfs/dbraw/zinc/42/28/92/538422892.db2.gz YOWGUVFXHPWHGX-ZETCQYMHSA-N 0 3 198.270 0.064 20 0 ACADHN Cc1c[nH]nc1CNCC1(O)CCC1 379638775 538424296 /nfs/dbraw/zinc/42/42/96/538424296.db2.gz SPHSPAGLVHRTDP-UHFFFAOYSA-N 0 3 195.266 0.723 20 0 ACADHN OCC1(NCc2cn[nH]c2)CCCC1 379634268 538424738 /nfs/dbraw/zinc/42/47/38/538424738.db2.gz QDZTVUGLXSNQFB-UHFFFAOYSA-N 0 3 195.266 0.804 20 0 ACADHN OCCN[C@H](CO)c1ccc(F)cc1 379623981 538424862 /nfs/dbraw/zinc/42/48/62/538424862.db2.gz IJXLIMCBWNTJRO-SNVBAGLBSA-N 0 3 199.225 0.441 20 0 ACADHN O=C(CNC1(C2CC2)CC1)NC1CC1 379630488 538424877 /nfs/dbraw/zinc/42/48/77/538424877.db2.gz MVPYQXCDLQTCEO-UHFFFAOYSA-N 0 3 194.278 0.797 20 0 ACADHN Cc1n[nH]cc1[C@H](C)NCCN(C)C 379641231 538424909 /nfs/dbraw/zinc/42/49/09/538424909.db2.gz VCNNSILSGWOSMS-QMMMGPOBSA-N 0 3 196.298 0.930 20 0 ACADHN OC1CC(CCNCc2ncc[nH]2)C1 379632231 538424945 /nfs/dbraw/zinc/42/49/45/538424945.db2.gz ORZXRUQFAANIKC-UHFFFAOYSA-N 0 3 195.266 0.660 20 0 ACADHN OCCN[C@@H](CO)c1ccc(F)cc1 379623980 538425015 /nfs/dbraw/zinc/42/50/15/538425015.db2.gz IJXLIMCBWNTJRO-JTQLQIEISA-N 0 3 199.225 0.441 20 0 ACADHN Cc1n[nH]cc1[C@@H](C)NCCN(C)C 379641230 538425142 /nfs/dbraw/zinc/42/51/42/538425142.db2.gz VCNNSILSGWOSMS-MRVPVSSYSA-N 0 3 196.298 0.930 20 0 ACADHN CC[C@@H](CNCc1cncn1C)OC 379654302 538426195 /nfs/dbraw/zinc/42/61/95/538426195.db2.gz IUNXSKYCFHRJAA-JTQLQIEISA-N 0 3 197.282 0.935 20 0 ACADHN CC[C@H](CNCc1cncn1C)OC 379654305 538426468 /nfs/dbraw/zinc/42/64/68/538426468.db2.gz IUNXSKYCFHRJAA-SNVBAGLBSA-N 0 3 197.282 0.935 20 0 ACADHN NC(=O)C1(NC[C@H]2CCCCO2)CC1 379668220 538427265 /nfs/dbraw/zinc/42/72/65/538427265.db2.gz ZKZHXZPVYARVKC-MRVPVSSYSA-N 0 3 198.266 0.163 20 0 ACADHN NC(=O)C1(NC[C@@H]2CCCCO2)CC1 379668222 538427276 /nfs/dbraw/zinc/42/72/76/538427276.db2.gz ZKZHXZPVYARVKC-QMMMGPOBSA-N 0 3 198.266 0.163 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)C1(C)CC1 382006683 538427565 /nfs/dbraw/zinc/42/75/65/538427565.db2.gz JWXURAXIVZHBHS-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN CC[C@H](C(=O)N(C)C1CC1)N(C)C 382012013 538427649 /nfs/dbraw/zinc/42/76/49/538427649.db2.gz LLBAGNTURFZHCD-SECBINFHSA-N 0 3 184.283 0.947 20 0 ACADHN CCN(CC)CC(=O)N[C@H](C)CF 381910398 538427677 /nfs/dbraw/zinc/42/76/77/538427677.db2.gz GLAWOYKHVJCPDZ-MRVPVSSYSA-N 0 3 190.262 0.802 20 0 ACADHN CCNC(=O)CN1CC[C@H](CC)C1 381917764 538427704 /nfs/dbraw/zinc/42/77/04/538427704.db2.gz JGUOPPOMWFXHJO-VIFPVBQESA-N 0 3 184.283 0.854 20 0 ACADHN CCNC(=O)CN1CC[C@@H](CC)C1 381917763 538427832 /nfs/dbraw/zinc/42/78/32/538427832.db2.gz JGUOPPOMWFXHJO-SECBINFHSA-N 0 3 184.283 0.854 20 0 ACADHN CC[C@@H](C(=O)N(C)C1CC1)N(C)C 382012015 538427997 /nfs/dbraw/zinc/42/79/97/538427997.db2.gz LLBAGNTURFZHCD-VIFPVBQESA-N 0 3 184.283 0.947 20 0 ACADHN C[C@H](N(C)CC(N)=O)C1(C)CC1 388415624 538432113 /nfs/dbraw/zinc/43/21/13/538432113.db2.gz DYUWSWNTHDECDU-ZETCQYMHSA-N 0 3 170.256 0.592 20 0 ACADHN CNC(=O)CN(CC1CC1)C(C)C 388272945 538430973 /nfs/dbraw/zinc/43/09/73/538430973.db2.gz HHUSEYVJMXANTJ-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN CCOCCN1C[C@H](O)C(C)(C)C1 388230671 538430006 /nfs/dbraw/zinc/43/00/06/538430006.db2.gz MEPUMLUMYFWDCN-VIFPVBQESA-N 0 3 187.283 0.726 20 0 ACADHN NC(=O)C1(NCCCCCF)CC1 388262031 538430048 /nfs/dbraw/zinc/43/00/48/538430048.db2.gz BOKRYNZFQOSDLA-UHFFFAOYSA-N 0 3 188.246 0.734 20 0 ACADHN CC[C@H](N[C@H](C)[C@@H](C)OC)C(N)=O 388262324 538430109 /nfs/dbraw/zinc/43/01/09/538430109.db2.gz APYJEIJPRHZTMG-PRJMDXOYSA-N 0 3 188.271 0.263 20 0 ACADHN CCNC(=O)CN(C)CCCCF 388312018 538431189 /nfs/dbraw/zinc/43/11/89/538431189.db2.gz SFQJOTJIGKYEEX-UHFFFAOYSA-N 0 3 190.262 0.804 20 0 ACADHN CC[C@H](N[C@H](C)[C@H](C)OC)C(N)=O 388262298 538430381 /nfs/dbraw/zinc/43/03/81/538430381.db2.gz APYJEIJPRHZTMG-CSMHCCOUSA-N 0 3 188.271 0.263 20 0 ACADHN CCOCCN1C[C@@H](O)C(C)(C)C1 388230669 538430390 /nfs/dbraw/zinc/43/03/90/538430390.db2.gz MEPUMLUMYFWDCN-SECBINFHSA-N 0 3 187.283 0.726 20 0 ACADHN CC[C@@H](N[C@H](C)[C@@H](C)OC)C(N)=O 388262295 538430581 /nfs/dbraw/zinc/43/05/81/538430581.db2.gz APYJEIJPRHZTMG-BWZBUEFSSA-N 0 3 188.271 0.263 20 0 ACADHN CC[C@@H](N[C@H](C)[C@H](C)OC)C(N)=O 388262300 538430591 /nfs/dbraw/zinc/43/05/91/538430591.db2.gz APYJEIJPRHZTMG-GJMOJQLCSA-N 0 3 188.271 0.263 20 0 ACADHN COC[C@@H](C)N(C)C1CC(O)C1 388506198 538433167 /nfs/dbraw/zinc/43/31/67/538433167.db2.gz OTFDJYNLPFPEKJ-AFPNSQJFSA-N 0 3 173.256 0.476 20 0 ACADHN CC(C)CC[C@@H](O)CN(C)CCO 388756776 538437365 /nfs/dbraw/zinc/43/73/65/538437365.db2.gz CXVFUEYIXXABLU-SNVBAGLBSA-N 0 3 189.299 0.708 20 0 ACADHN CCN(CCC1CC1)[C@@H](C)C(N)=O 388295071 538431065 /nfs/dbraw/zinc/43/10/65/538431065.db2.gz ZRGFSRFYZFQGGA-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN CCN(CCC1CC1)[C@H](C)C(N)=O 388295069 538431112 /nfs/dbraw/zinc/43/11/12/538431112.db2.gz ZRGFSRFYZFQGGA-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN CCCNC(=O)[C@@H](CC)N(C)C 388394529 538431581 /nfs/dbraw/zinc/43/15/81/538431581.db2.gz GIYMPWHTWKEVFY-MRVPVSSYSA-N 0 3 172.272 0.853 20 0 ACADHN Cc1c[nH]nc1CNCCCO 388393171 538431750 /nfs/dbraw/zinc/43/17/50/538431750.db2.gz DWOSULVGDZMPJO-UHFFFAOYSA-N 0 3 169.228 0.190 20 0 ACADHN CC[C@H](C(=O)NCCF)N(C)C 388390477 538431758 /nfs/dbraw/zinc/43/17/58/538431758.db2.gz BMERJCGFWGQJIJ-SSDOTTSWSA-N 0 3 176.235 0.412 20 0 ACADHN CCCNC(=O)[C@H](CC)N(C)C 388394531 538431919 /nfs/dbraw/zinc/43/19/19/538431919.db2.gz GIYMPWHTWKEVFY-QMMMGPOBSA-N 0 3 172.272 0.853 20 0 ACADHN C[C@@H](N(C)CC(N)=O)C1(C)CC1 388415623 538432039 /nfs/dbraw/zinc/43/20/39/538432039.db2.gz DYUWSWNTHDECDU-SSDOTTSWSA-N 0 3 170.256 0.592 20 0 ACADHN CC(C)N(CCN(C)C)C(N)=O 388409810 538432276 /nfs/dbraw/zinc/43/22/76/538432276.db2.gz WXVUWTMDBLIMIA-UHFFFAOYSA-N 0 3 173.260 0.337 20 0 ACADHN C[C@@H](C(N)=O)N(C)CCC1CC1 388454728 538432649 /nfs/dbraw/zinc/43/26/49/538432649.db2.gz ZKOIXRVFCHSNDN-ZETCQYMHSA-N 0 3 170.256 0.592 20 0 ACADHN CCN1CC[C@H](OCCOC)C1 388476600 538432749 /nfs/dbraw/zinc/43/27/49/538432749.db2.gz RKNHPPPCZPEBGH-VIFPVBQESA-N 0 3 173.256 0.744 20 0 ACADHN CCN1CC[C@@H](OCCOC)C1 388476599 538432773 /nfs/dbraw/zinc/43/27/73/538432773.db2.gz RKNHPPPCZPEBGH-SECBINFHSA-N 0 3 173.256 0.744 20 0 ACADHN CN(CCCCCF)CC(N)=O 388504749 538433129 /nfs/dbraw/zinc/43/31/29/538433129.db2.gz NZVPWTVEWIYINZ-UHFFFAOYSA-N 0 3 176.235 0.543 20 0 ACADHN C[C@@H]1C[C@@H]1CNC1(C(N)=O)CC1 388499959 538433207 /nfs/dbraw/zinc/43/32/07/538433207.db2.gz LOILUDNPUKHWRK-RNFRBKRXSA-N 0 3 168.240 0.250 20 0 ACADHN CN(Cc1cnc[nH]1)C1(CO)CC1 388580671 538433410 /nfs/dbraw/zinc/43/34/10/538433410.db2.gz DUQHCLUSRQULIM-UHFFFAOYSA-N 0 3 181.239 0.366 20 0 ACADHN CCCN(C)CC(=O)NC(C)C 388504581 538433403 /nfs/dbraw/zinc/43/34/03/538433403.db2.gz NWBPLGLOJRBVJX-UHFFFAOYSA-N 0 3 172.272 0.853 20 0 ACADHN COC[C@H](C)N(C)C1CC(O)C1 388506199 538433584 /nfs/dbraw/zinc/43/35/84/538433584.db2.gz OTFDJYNLPFPEKJ-UEJVZZJDSA-N 0 3 173.256 0.476 20 0 ACADHN CNC(=O)N(C)CCN(C)C1CC1 388575422 538433591 /nfs/dbraw/zinc/43/35/91/538433591.db2.gz AWFKKDCNYZWIJH-UHFFFAOYSA-N 0 3 185.271 0.352 20 0 ACADHN CN(CCCF)[C@@]1(CO)CCOC1 388592531 538433667 /nfs/dbraw/zinc/43/36/67/538433667.db2.gz MFGOBTYJPCKVGP-SECBINFHSA-N 0 3 191.246 0.429 20 0 ACADHN CC[C@H](C(=O)NCC(F)F)N(C)C 388590862 538433858 /nfs/dbraw/zinc/43/38/58/538433858.db2.gz AOPNIUVHMCRUIF-ZCFIWIBFSA-N 0 3 194.225 0.708 20 0 ACADHN CC[C@@H](C(=O)NCCOC)N(C)C 388596642 538433838 /nfs/dbraw/zinc/43/38/38/538433838.db2.gz DAWCDHSFCXEZPV-QMMMGPOBSA-N 0 3 188.271 0.089 20 0 ACADHN CN(C[C@@H]1CCCO1)C1(CO)CC1 388594686 538433851 /nfs/dbraw/zinc/43/38/51/538433851.db2.gz CETMQWBRFVDWQD-VIFPVBQESA-N 0 3 185.267 0.622 20 0 ACADHN CC[C@@H](C(=O)NCC(F)F)N(C)C 388590860 538433917 /nfs/dbraw/zinc/43/39/17/538433917.db2.gz AOPNIUVHMCRUIF-LURJTMIESA-N 0 3 194.225 0.708 20 0 ACADHN CN(C[C@H]1CCCO1)C1(CO)CC1 388594684 538434137 /nfs/dbraw/zinc/43/41/37/538434137.db2.gz CETMQWBRFVDWQD-SECBINFHSA-N 0 3 185.267 0.622 20 0 ACADHN CN(C)CCN(C)c1cnccn1 388583387 538434200 /nfs/dbraw/zinc/43/42/00/538434200.db2.gz GJFJKXOPICAJPZ-UHFFFAOYSA-N 0 3 180.255 0.474 20 0 ACADHN COCCCNCc1n[nH]cc1C 388605961 538434655 /nfs/dbraw/zinc/43/46/55/538434655.db2.gz VLAMQOIYBOBZDQ-UHFFFAOYSA-N 0 3 183.255 0.844 20 0 ACADHN CN(C)CCN(C)c1ncccn1 388610240 538434770 /nfs/dbraw/zinc/43/47/70/538434770.db2.gz YATKCVSXZDFXMW-UHFFFAOYSA-N 0 3 180.255 0.474 20 0 ACADHN CC[C@@H](CO)N[C@@H](C)c1cn[nH]c1 388620700 538434877 /nfs/dbraw/zinc/43/48/77/538434877.db2.gz GZNFYFHLTDANNC-CBAPKCEASA-N 0 3 183.255 0.831 20 0 ACADHN CC(C)N(C)CC(=O)NCCCF 388630147 538434994 /nfs/dbraw/zinc/43/49/94/538434994.db2.gz KODZMCGDJUJASJ-UHFFFAOYSA-N 0 3 190.262 0.802 20 0 ACADHN CC[C@@H](CO)N[C@H](C)c1cn[nH]c1 388620698 538435050 /nfs/dbraw/zinc/43/50/50/538435050.db2.gz GZNFYFHLTDANNC-APPZFPTMSA-N 0 3 183.255 0.831 20 0 ACADHN CN(CC(=O)N(C)C)CC1(C)CC1 388620192 538435073 /nfs/dbraw/zinc/43/50/73/538435073.db2.gz GYBURIIVEXMHST-UHFFFAOYSA-N 0 3 184.283 0.807 20 0 ACADHN CN(CCCF)CC(C)(CO)CO 388676685 538436139 /nfs/dbraw/zinc/43/61/39/538436139.db2.gz ZDTULSCCBRAFAC-UHFFFAOYSA-N 0 3 193.262 0.269 20 0 ACADHN CNC(=O)CN(C)[C@H](C)C1(C)CC1 388647565 538435554 /nfs/dbraw/zinc/43/55/54/538435554.db2.gz QTUUPFFOYLIIGI-MRVPVSSYSA-N 0 3 184.283 0.853 20 0 ACADHN CNC(=O)CN(C)[C@@H](C)C1(C)CC1 388647567 538435659 /nfs/dbraw/zinc/43/56/59/538435659.db2.gz QTUUPFFOYLIIGI-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN COCCN(C)CCN(C)C1CC1 388640935 538435798 /nfs/dbraw/zinc/43/57/98/538435798.db2.gz OKXDQDGGFWGMPE-UHFFFAOYSA-N 0 3 186.299 0.659 20 0 ACADHN CCC(=O)N(C)CCN(C)C1CC1 388642067 538435837 /nfs/dbraw/zinc/43/58/37/538435837.db2.gz OYXYZWIBQMQEHA-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN CC[C@@H](NCC(N)=O)[C@@H]1CCCO1 388683068 538436062 /nfs/dbraw/zinc/43/60/62/538436062.db2.gz JBIAIPKZTNZAQP-SFYZADRCSA-N 0 3 186.255 0.019 20 0 ACADHN CC[C@H](NCC(N)=O)[C@@H]1CCCO1 388683070 538436216 /nfs/dbraw/zinc/43/62/16/538436216.db2.gz JBIAIPKZTNZAQP-YUMQZZPRSA-N 0 3 186.255 0.019 20 0 ACADHN CC(C)OCCN(C)C1(CO)CC1 388691680 538436245 /nfs/dbraw/zinc/43/62/45/538436245.db2.gz LBUVFDZUEGWBNA-UHFFFAOYSA-N 0 3 187.283 0.868 20 0 ACADHN CN(C)CCN(C)C(=O)C1(C)CC1 388678167 538436288 /nfs/dbraw/zinc/43/62/88/538436288.db2.gz ZNLCBFVVWQWUFY-UHFFFAOYSA-N 0 3 184.283 0.807 20 0 ACADHN CC[C@H](NCC(N)=O)[C@H]1CCCO1 388683066 538436356 /nfs/dbraw/zinc/43/63/56/538436356.db2.gz JBIAIPKZTNZAQP-JGVFFNPUSA-N 0 3 186.255 0.019 20 0 ACADHN CNC(=O)CN(C(C)C)C1CCC1 388674130 538436421 /nfs/dbraw/zinc/43/64/21/538436421.db2.gz YPJDUTHFKVSAJM-UHFFFAOYSA-N 0 3 184.283 0.995 20 0 ACADHN CC[C@@H](NCC(N)=O)[C@H]1CCCO1 388683064 538436456 /nfs/dbraw/zinc/43/64/56/538436456.db2.gz JBIAIPKZTNZAQP-HTQZYQBOSA-N 0 3 186.255 0.019 20 0 ACADHN COCC[C@]1(NCCF)CCOC1 388733853 538436807 /nfs/dbraw/zinc/43/68/07/538436807.db2.gz WCPGFKTXAHAFCN-VIFPVBQESA-N 0 3 191.246 0.741 20 0 ACADHN COCC[C@@]1(NCCF)CCOC1 388733851 538436895 /nfs/dbraw/zinc/43/68/95/538436895.db2.gz WCPGFKTXAHAFCN-SECBINFHSA-N 0 3 191.246 0.741 20 0 ACADHN CC/C=C\CCNC1(C(N)=O)CC1 388703150 538436953 /nfs/dbraw/zinc/43/69/53/538436953.db2.gz NSYZZWIEHJSDFK-ARJAWSKDSA-N 0 3 182.267 0.950 20 0 ACADHN CC/C=C/CCNC1(C(N)=O)CC1 388703151 538436975 /nfs/dbraw/zinc/43/69/75/538436975.db2.gz NSYZZWIEHJSDFK-ONEGZZNKSA-N 0 3 182.267 0.950 20 0 ACADHN CC(C)CC[C@H](O)CN(C)CCO 388756774 538437408 /nfs/dbraw/zinc/43/74/08/538437408.db2.gz CXVFUEYIXXABLU-JTQLQIEISA-N 0 3 189.299 0.708 20 0 ACADHN CCCN(C)CC(=O)NCCCF 388746538 538437468 /nfs/dbraw/zinc/43/74/68/538437468.db2.gz ZCTCLVSXALQFFW-UHFFFAOYSA-N 0 3 190.262 0.804 20 0 ACADHN CC(C)(C)N(CCCF)CC(N)=O 388786308 538437577 /nfs/dbraw/zinc/43/75/77/538437577.db2.gz KUPWVSZOKIUMPY-UHFFFAOYSA-N 0 3 190.262 0.932 20 0 ACADHN CN(C)CCNC(=O)C1(C)CCC1 388816455 538437746 /nfs/dbraw/zinc/43/77/46/538437746.db2.gz SKTMKMPSXHOGOL-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CC[C@@H](CNCc1cnn(C)c1)OC 389223683 538439237 /nfs/dbraw/zinc/43/92/37/538439237.db2.gz OQWHOFNUTCDWAO-JTQLQIEISA-N 0 3 197.282 0.935 20 0 ACADHN CC[C@H](CNCc1cnn(C)c1)OC 389223684 538439330 /nfs/dbraw/zinc/43/93/30/538439330.db2.gz OQWHOFNUTCDWAO-SNVBAGLBSA-N 0 3 197.282 0.935 20 0 ACADHN C[C@]1(NCC(N)=O)CCO[C@@H]1C1CC1 389242797 538439827 /nfs/dbraw/zinc/43/98/27/538439827.db2.gz ZDBKMCYXYLHDML-ZJUUUORDSA-N 0 3 198.266 0.019 20 0 ACADHN CC[C@@H](CNCc1ccnn1C)OC 389239551 538439926 /nfs/dbraw/zinc/43/99/26/538439926.db2.gz XQDJAFRZUCTRPS-JTQLQIEISA-N 0 3 197.282 0.935 20 0 ACADHN C[C@@]1(NCC(N)=O)CCO[C@H]1C1CC1 389242795 538439947 /nfs/dbraw/zinc/43/99/47/538439947.db2.gz ZDBKMCYXYLHDML-VHSXEESVSA-N 0 3 198.266 0.019 20 0 ACADHN Cc1c[nH]nc1CN[C@H](C)CCCO 389254058 538440054 /nfs/dbraw/zinc/44/00/54/538440054.db2.gz DJFWKVBGPQQBJG-SECBINFHSA-N 0 3 197.282 0.969 20 0 ACADHN CC[C@H](CNCc1ccnn1C)OC 389239555 538440065 /nfs/dbraw/zinc/44/00/65/538440065.db2.gz XQDJAFRZUCTRPS-SNVBAGLBSA-N 0 3 197.282 0.935 20 0 ACADHN C[C@]1(NCC(N)=O)CCO[C@H]1C1CC1 389242792 538440082 /nfs/dbraw/zinc/44/00/82/538440082.db2.gz ZDBKMCYXYLHDML-UWVGGRQHSA-N 0 3 198.266 0.019 20 0 ACADHN C[C@@]1(NCC(N)=O)CCO[C@@H]1C1CC1 389242790 538440092 /nfs/dbraw/zinc/44/00/92/538440092.db2.gz ZDBKMCYXYLHDML-NXEZZACHSA-N 0 3 198.266 0.019 20 0 ACADHN Cc1c[nH]nc1CN[C@@H](C)CCCO 389254059 538440102 /nfs/dbraw/zinc/44/01/02/538440102.db2.gz DJFWKVBGPQQBJG-VIFPVBQESA-N 0 3 197.282 0.969 20 0 ACADHN CC(C)CNCc1cc(C(N)=O)no1 389267690 538440653 /nfs/dbraw/zinc/44/06/53/538440653.db2.gz KGWDMYQUOZGXJN-UHFFFAOYSA-N 0 3 197.238 0.519 20 0 ACADHN C[C@@H](O)CNC(C)(C)c1cnn(C)c1 389294836 538440732 /nfs/dbraw/zinc/44/07/32/538440732.db2.gz FSGUGIFMXMQRIL-MRVPVSSYSA-N 0 3 197.282 0.626 20 0 ACADHN Cc1occc1CN[C@H](C)CC(N)=O 389347850 538440908 /nfs/dbraw/zinc/44/09/08/538440908.db2.gz MPXWVTDZNXCWGO-SSDOTTSWSA-N 0 3 196.250 0.942 20 0 ACADHN COCC(=O)NCC1=CCN(C)CC1 392267294 538441045 /nfs/dbraw/zinc/44/10/45/538441045.db2.gz IPFTUSCIDDALFV-UHFFFAOYSA-N 0 3 198.266 0.011 20 0 ACADHN Cc1occc1CN[C@@H](C)CC(N)=O 389347853 538441049 /nfs/dbraw/zinc/44/10/49/538441049.db2.gz MPXWVTDZNXCWGO-ZETCQYMHSA-N 0 3 196.250 0.942 20 0 ACADHN CO[C@H](C)CCNCc1cnnn1C 389352540 538441131 /nfs/dbraw/zinc/44/11/31/538441131.db2.gz OUVAJYBQMOSBIK-MRVPVSSYSA-N 0 3 198.270 0.330 20 0 ACADHN CO[C@@H](C)CCNCc1cnnn1C 389352541 538441135 /nfs/dbraw/zinc/44/11/35/538441135.db2.gz OUVAJYBQMOSBIK-QMMMGPOBSA-N 0 3 198.270 0.330 20 0 ACADHN Cc1cc(CN[C@@H](C)CC(N)=O)n[nH]1 389348446 538441142 /nfs/dbraw/zinc/44/11/42/538441142.db2.gz NBDOADVPCAKDCK-LURJTMIESA-N 0 3 196.254 0.072 20 0 ACADHN Cc1cc(CN[C@@H](C)CC(N)=O)[nH]n1 389348446 538441143 /nfs/dbraw/zinc/44/11/43/538441143.db2.gz NBDOADVPCAKDCK-LURJTMIESA-N 0 3 196.254 0.072 20 0 ACADHN Cc1cc(CN[C@H](C)CC(N)=O)n[nH]1 389348447 538441207 /nfs/dbraw/zinc/44/12/07/538441207.db2.gz NBDOADVPCAKDCK-ZCFIWIBFSA-N 0 3 196.254 0.072 20 0 ACADHN Cc1cc(CN[C@H](C)CC(N)=O)[nH]n1 389348447 538441208 /nfs/dbraw/zinc/44/12/08/538441208.db2.gz NBDOADVPCAKDCK-ZCFIWIBFSA-N 0 3 196.254 0.072 20 0 ACADHN O=C1CCNCCCCCN1 669371770 538442574 /nfs/dbraw/zinc/44/25/74/538442574.db2.gz ZZICGOVGFZMGGW-UHFFFAOYSA-N 0 3 156.229 0.266 20 0 ACADHN OCCNCc1cnn(C2CCC2)c1 675053233 538448341 /nfs/dbraw/zinc/44/83/41/538448341.db2.gz GFKMPGSBUZGLQW-UHFFFAOYSA-N 0 3 195.266 0.690 20 0 ACADHN CN(Cc1c(CN)cnn1C)C1CC1 675056872 538449538 /nfs/dbraw/zinc/44/95/38/538449538.db2.gz XYVXWJFTWDGJTE-UHFFFAOYSA-N 0 3 194.282 0.473 20 0 ACADHN CC[C@H](C)NC(=O)CNCCOC 20036148 541301195 /nfs/dbraw/zinc/30/11/95/541301195.db2.gz WMEQZHXCLIRRGX-QMMMGPOBSA-N 0 3 188.271 0.137 20 0 ACADHN CC[C@@H](C)NC(=O)CNCCOC 20036145 541301617 /nfs/dbraw/zinc/30/16/17/541301617.db2.gz WMEQZHXCLIRRGX-MRVPVSSYSA-N 0 3 188.271 0.137 20 0 ACADHN CCc1nn(C)cc1CNCCOC 157719930 541308151 /nfs/dbraw/zinc/30/81/51/541308151.db2.gz WSFPVJCQVUIRPO-UHFFFAOYSA-N 0 3 197.282 0.719 20 0 ACADHN CCc1nn(C)cc1CNCCCO 157719622 541308433 /nfs/dbraw/zinc/30/84/33/541308433.db2.gz KWZIWYZHZVESAT-UHFFFAOYSA-N 0 3 197.282 0.455 20 0 ACADHN CCc1nn(C)cc1CNCCO 157720678 541308443 /nfs/dbraw/zinc/30/84/43/541308443.db2.gz IHGJLDBUUHUGOJ-UHFFFAOYSA-N 0 3 183.255 0.064 20 0 ACADHN CC(C)CN(C)CC(=O)N(C)C 201021974 541314777 /nfs/dbraw/zinc/31/47/77/541314777.db2.gz JHMQOLVSXPYVDN-UHFFFAOYSA-N 0 3 172.272 0.662 20 0 ACADHN CN[C@@H](C)C(=O)N[C@@H]1CCC[C@@H]1C 216239917 541317108 /nfs/dbraw/zinc/31/71/08/541317108.db2.gz VCNBQGWNYUBOMQ-XHNCKOQMSA-N 0 3 184.283 0.899 20 0 ACADHN CN[C@@H](C)C(=O)N[C@H]1CCC[C@@H]1C 216239965 541317234 /nfs/dbraw/zinc/31/72/34/541317234.db2.gz VCNBQGWNYUBOMQ-CIUDSAMLSA-N 0 3 184.283 0.899 20 0 ACADHN COC(=O)C(C)C(=O)C(F)(F)F 219831591 541317849 /nfs/dbraw/zinc/31/78/49/541317849.db2.gz SHOKQWOGRHPXTL-GSVOUGTGSA-N 0 3 184.113 0.927 20 0 ACADHN COC(=O)C(C)C(=O)C(F)(F)F 219831554 541318022 /nfs/dbraw/zinc/31/80/22/541318022.db2.gz SHOKQWOGRHPXTL-VKHMYHEASA-N 0 3 184.113 0.927 20 0 ACADHN Cn1ncc2ncc(CN)cc21 219356514 541318200 /nfs/dbraw/zinc/31/82/00/541318200.db2.gz WLNHTOKNVLVRTG-UHFFFAOYSA-N 0 3 162.196 0.427 20 0 ACADHN CCOCC(=O)C1(N)CCC1 226778308 541319079 /nfs/dbraw/zinc/31/90/79/541319079.db2.gz FGUXCWUPAYVCMA-UHFFFAOYSA-N 0 3 157.213 0.473 20 0 ACADHN CC(C)c1nc2nccc(CN)n2n1 232814712 541323789 /nfs/dbraw/zinc/32/37/89/541323789.db2.gz LYGFKVZPIIHWBP-UHFFFAOYSA-N 0 3 191.238 0.706 20 0 ACADHN C[C@H](O)CN(C)C[C@H]1CC[C@H](C)O1 299996336 541326284 /nfs/dbraw/zinc/32/62/84/541326284.db2.gz QVYJMZDJSIPSOL-LPEHRKFASA-N 0 3 187.283 0.867 20 0 ACADHN C[C@H](O)CN(C)C[C@@H]1CC[C@H](C)O1 299996330 541326558 /nfs/dbraw/zinc/32/65/58/541326558.db2.gz QVYJMZDJSIPSOL-GUBZILKMSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@@H]1CN(CCC2CC2)C[C@H](CO)O1 299916358 541326647 /nfs/dbraw/zinc/32/66/47/541326647.db2.gz SDTPBMIFDDSCFK-MWLCHTKSSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@H]1CN(CCC2CC2)C[C@H](CO)O1 299916356 541326962 /nfs/dbraw/zinc/32/69/62/541326962.db2.gz SDTPBMIFDDSCFK-GXSJLCMTSA-N 0 3 199.294 0.868 20 0 ACADHN CCCCN1C[C@H](C)O[C@H](CO)C1 299919137 541326980 /nfs/dbraw/zinc/32/69/80/541326980.db2.gz WCFURFPMZVRLMI-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@H](O)CN(C)C[C@H]1CC[C@@H](C)O1 299996333 541326999 /nfs/dbraw/zinc/32/69/99/541326999.db2.gz QVYJMZDJSIPSOL-IVZWLZJFSA-N 0 3 187.283 0.867 20 0 ACADHN CCN(CCO)C[C@@H]1CC[C@H](C)O1 299991639 541327113 /nfs/dbraw/zinc/32/71/13/541327113.db2.gz DFGVGYXSMLHFRR-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN CCN(CCO)C[C@H]1CC[C@H](C)O1 299991640 541327179 /nfs/dbraw/zinc/32/71/79/541327179.db2.gz DFGVGYXSMLHFRR-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN CCCCN1C[C@@H](CO)O[C@H](C)C1 299919138 541327353 /nfs/dbraw/zinc/32/73/53/541327353.db2.gz WCFURFPMZVRLMI-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@@H]1CC[C@H](CN(C)[C@H](C)CO)O1 299992676 541327414 /nfs/dbraw/zinc/32/74/14/541327414.db2.gz HIHSEJZYRCNZEJ-OPRDCNLKSA-N 0 3 187.283 0.867 20 0 ACADHN COC[C@H](C)N[C@H](C)CF 306512219 541329612 /nfs/dbraw/zinc/32/96/12/541329612.db2.gz PCQKXWCUEVCOKU-RQJHMYQMSA-N 0 3 149.209 0.969 20 0 ACADHN COC[C@@H](C)N[C@H](C)CF 306512218 541329738 /nfs/dbraw/zinc/32/97/38/541329738.db2.gz PCQKXWCUEVCOKU-RNFRBKRXSA-N 0 3 149.209 0.969 20 0 ACADHN COCC(=O)[C@H](N)C1CCC1 307656936 541331335 /nfs/dbraw/zinc/33/13/35/541331335.db2.gz RGOBOBLDDPNPQR-MRVPVSSYSA-N 0 3 157.213 0.329 20 0 ACADHN COCC(=O)[C@@H](N)C1CCC1 307656937 541331712 /nfs/dbraw/zinc/33/17/12/541331712.db2.gz RGOBOBLDDPNPQR-QMMMGPOBSA-N 0 3 157.213 0.329 20 0 ACADHN C[C@H](CNC(=O)C1(C)CC1)N(C)C 308344136 541332713 /nfs/dbraw/zinc/33/27/13/541332713.db2.gz TVFAGZORJXZNIP-MRVPVSSYSA-N 0 3 184.283 0.853 20 0 ACADHN CCOCCCNC1(C(N)=O)CC1 379373095 541338431 /nfs/dbraw/zinc/33/84/31/541338431.db2.gz KOWLMXFRSVRUEU-UHFFFAOYSA-N 0 3 186.255 0.021 20 0 ACADHN C[C@H](CO)N(C)Cc1cccn1C 381827494 541340175 /nfs/dbraw/zinc/34/01/75/541340175.db2.gz ANEVABVXVBWEHI-SECBINFHSA-N 0 3 182.267 0.838 20 0 ACADHN Cc1c[nH]nc1CNC[C@H]1CCCO1 389310362 541343144 /nfs/dbraw/zinc/34/31/44/541343144.db2.gz OQASZMMCERJQOY-SECBINFHSA-N 0 3 195.266 0.987 20 0 ACADHN COC(=O)[C@@H]1C[Si]2(CCCC2)CN1 675060135 541351188 /nfs/dbraw/zinc/35/11/88/541351188.db2.gz BIZSEZFKUKIYJX-QMMMGPOBSA-N 0 3 199.326 0.913 20 0 ACADHN COC(=O)NCCN1CCCCC1 6179548 756961579 /nfs/dbraw/zinc/96/15/79/756961579.db2.gz DNCQGUGKEZHHGT-UHFFFAOYSA-N 0 3 186.255 0.828 20 0 ACADHN CSCCNCc1c[nH]cn1 68890410 756968459 /nfs/dbraw/zinc/96/84/59/756968459.db2.gz YXWYRGBHLCTZSS-UHFFFAOYSA-N 0 3 171.269 0.862 20 0 ACADHN OC[C@@H]1CCCCN1Cc1cn[nH]c1 74243470 756969369 /nfs/dbraw/zinc/96/93/69/756969369.db2.gz IXSTZFGKVUTCBM-JTQLQIEISA-N 0 3 195.266 0.757 20 0 ACADHN OC[C@H]1CCCCN1Cc1cn[nH]c1 74243469 756969491 /nfs/dbraw/zinc/96/94/91/756969491.db2.gz IXSTZFGKVUTCBM-SNVBAGLBSA-N 0 3 195.266 0.757 20 0 ACADHN CN(C)C(=O)[C@@H](N)C1CCCCC1 77271400 756972037 /nfs/dbraw/zinc/97/20/37/756972037.db2.gz SFPHQVMDWCZPNT-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN [O-]c1ccc(C[NH2+]CCO)cc1F 83341012 756975821 /nfs/dbraw/zinc/97/58/21/756975821.db2.gz JEGKFUXCXGCIIL-UHFFFAOYSA-N 0 3 185.198 0.613 20 0 ACADHN COC[C@H](C)NCc1cccnc1N 83342309 756977066 /nfs/dbraw/zinc/97/70/66/756977066.db2.gz QYRWGNTYBBLHPG-QMMMGPOBSA-N 0 3 195.266 0.788 20 0 ACADHN Cn1cncc1CN1CC[C@H](CO)C1 85191934 756979065 /nfs/dbraw/zinc/97/90/65/756979065.db2.gz LXLUHFHTPRWYIV-VIFPVBQESA-N 0 3 195.266 0.234 20 0 ACADHN Cn1cncc1CN1CC[C@@H](CO)C1 85191935 756980129 /nfs/dbraw/zinc/98/01/29/756980129.db2.gz LXLUHFHTPRWYIV-SECBINFHSA-N 0 3 195.266 0.234 20 0 ACADHN O=C(NCCNCCF)C1CC1 135073270 756990067 /nfs/dbraw/zinc/99/00/67/756990067.db2.gz AXLVMQCDHLBOCK-UHFFFAOYSA-N 0 3 174.219 0.072 20 0 ACADHN C[C@H](O)C[C@@H](C)CNCc1cc[nH]n1 164324188 757005111 /nfs/dbraw/zinc/00/51/11/757005111.db2.gz SODCRODQAIBHQM-BDAKNGLRSA-N 0 3 197.282 0.906 20 0 ACADHN C[C@H](O)C[C@H](C)CNCc1cc[nH]n1 164324058 757007159 /nfs/dbraw/zinc/00/71/59/757007159.db2.gz SODCRODQAIBHQM-IUCAKERBSA-N 0 3 197.282 0.906 20 0 ACADHN C[C@@H](O)C[C@@H](C)CNCc1cc[nH]n1 164323942 757007769 /nfs/dbraw/zinc/00/77/69/757007769.db2.gz SODCRODQAIBHQM-RKDXNWHRSA-N 0 3 197.282 0.906 20 0 ACADHN C[C@H](CNCc1cc[nH]n1)C[C@@H](C)O 164323821 757008127 /nfs/dbraw/zinc/00/81/27/757008127.db2.gz SODCRODQAIBHQM-DTWKUNHWSA-N 0 3 197.282 0.906 20 0 ACADHN C[C@@H](O)CN(C)Cc1cccc(=O)[nH]1 201071152 757028957 /nfs/dbraw/zinc/02/89/57/757028957.db2.gz GZFYCOWGIKTOIA-MRVPVSSYSA-N 0 3 196.250 0.188 20 0 ACADHN C[C@H](O)CN(C)Cc1cccc(=O)[nH]1 201071117 757028998 /nfs/dbraw/zinc/02/89/98/757028998.db2.gz GZFYCOWGIKTOIA-QMMMGPOBSA-N 0 3 196.250 0.188 20 0 ACADHN CC[C@H](N)c1cn(C[C@@H](C)O)nn1 229935916 757035708 /nfs/dbraw/zinc/03/57/08/757035708.db2.gz BWQMNVWAQFQPHN-RQJHMYQMSA-N 0 3 184.243 0.069 20 0 ACADHN CC[C@@H](N)c1cn(C[C@@H](C)O)nn1 229935912 757035771 /nfs/dbraw/zinc/03/57/71/757035771.db2.gz BWQMNVWAQFQPHN-RNFRBKRXSA-N 0 3 184.243 0.069 20 0 ACADHN CCCCCN1CCCNC(=O)C1 259460116 757042783 /nfs/dbraw/zinc/04/27/83/757042783.db2.gz WZRKDIPLEKIFNY-UHFFFAOYSA-N 0 3 184.283 0.999 20 0 ACADHN CC[C@@H](CO)N1CCN(C)CC1 259502981 757043120 /nfs/dbraw/zinc/04/31/20/757043120.db2.gz ZVTDCPKBCRDBSE-VIFPVBQESA-N 0 3 172.272 0.005 20 0 ACADHN CC[C@H](CO)N1CCN(C)CC1 259502980 757044798 /nfs/dbraw/zinc/04/47/98/757044798.db2.gz ZVTDCPKBCRDBSE-SECBINFHSA-N 0 3 172.272 0.005 20 0 ACADHN CC[C@@H]1CN(CCF)C[C@H]1O 306339100 757061645 /nfs/dbraw/zinc/06/16/45/757061645.db2.gz VLFNAXOGJACLAC-HTQZYQBOSA-N 0 3 161.220 0.659 20 0 ACADHN C[C@@H]1CN([C@@H]2CCOC2=O)C[C@H]1C 306338343 757062282 /nfs/dbraw/zinc/06/22/82/757062282.db2.gz UVZCIEGETIEDAZ-IWSPIJDZSA-N 0 3 183.251 0.890 20 0 ACADHN C[C@@H]1CN([C@H]2CCOC2=O)C[C@@H]1C 306338344 757062455 /nfs/dbraw/zinc/06/24/55/757062455.db2.gz UVZCIEGETIEDAZ-YIZRAAEISA-N 0 3 183.251 0.890 20 0 ACADHN CC[C@H]1CN(CCF)C[C@H]1O 306339105 757062578 /nfs/dbraw/zinc/06/25/78/757062578.db2.gz VLFNAXOGJACLAC-JGVFFNPUSA-N 0 3 161.220 0.659 20 0 ACADHN O[C@@]1(C2CC2)CCN(CCF)C1 306410345 757063077 /nfs/dbraw/zinc/06/30/77/757063077.db2.gz ZUHRRJBAEKVPRO-VIFPVBQESA-N 0 3 173.231 0.803 20 0 ACADHN O[C@]1(C2CC2)CCN(CCF)C1 306410344 757064734 /nfs/dbraw/zinc/06/47/34/757064734.db2.gz ZUHRRJBAEKVPRO-SECBINFHSA-N 0 3 173.231 0.803 20 0 ACADHN CCN1CCN(CCF)C[C@H]1C 306514578 757067889 /nfs/dbraw/zinc/06/78/89/757067889.db2.gz UUEYUMQQRCMALC-SECBINFHSA-N 0 3 174.263 0.982 20 0 ACADHN CCN1CCN(CCF)C[C@@H]1C 306514581 757067927 /nfs/dbraw/zinc/06/79/27/757067927.db2.gz UUEYUMQQRCMALC-VIFPVBQESA-N 0 3 174.263 0.982 20 0 ACADHN COC[C@@](C)(CO)NC/C=C/Cl 716884032 674026253 /nfs/dbraw/zinc/02/62/53/674026253.db2.gz HDXUEKPQJNKZMN-MPJRPATESA-N 0 3 193.674 0.726 20 0 ACADHN CC[C@H](C(N)=O)N(C)CCCF 716786940 674026300 /nfs/dbraw/zinc/02/63/00/674026300.db2.gz SPWLBMJMBUEHAJ-SSDOTTSWSA-N 0 3 176.235 0.542 20 0 ACADHN CC[C@@H](C(N)=O)N(C)CCCF 716786943 674026322 /nfs/dbraw/zinc/02/63/22/674026322.db2.gz SPWLBMJMBUEHAJ-ZETCQYMHSA-N 0 3 176.235 0.542 20 0 ACADHN COC[C@](C)(CO)NC/C=C/Cl 716884034 674026331 /nfs/dbraw/zinc/02/63/31/674026331.db2.gz HDXUEKPQJNKZMN-RTMURIBGSA-N 0 3 193.674 0.726 20 0 ACADHN CCNC(=O)Cc1nc[nH]c1C 306755205 757074485 /nfs/dbraw/zinc/07/44/85/757074485.db2.gz KXAGKASDPMRBIJ-UHFFFAOYSA-N 0 3 167.212 0.397 20 0 ACADHN Cc1c[nH]c(CNC[C@H]2C[C@H](O)C2)n1 720946629 674076161 /nfs/dbraw/zinc/07/61/61/674076161.db2.gz IVEXAKQWUDINBH-KYZUINATSA-N 0 3 195.266 0.579 20 0 ACADHN CCNCC(=O)N[C@@H](CC)COC 70626164 571704945 /nfs/dbraw/zinc/70/49/45/571704945.db2.gz WHBHQEZSVLXAAG-QMMMGPOBSA-N 0 3 188.271 0.137 20 0 ACADHN CN(C)C(=O)[C@@H](N)CC(F)F 307677326 757097489 /nfs/dbraw/zinc/09/74/89/757097489.db2.gz LIXGAHOKGKWPDF-BYPYZUCNSA-N 0 3 166.171 0.057 20 0 ACADHN CC[C@H](N)C(=O)NCCC(F)F 308152097 757100362 /nfs/dbraw/zinc/10/03/62/757100362.db2.gz NDESIJIJCOJGMT-YFKPBYRVSA-N 0 3 180.198 0.495 20 0 ACADHN COC1CC(NCC(=O)NC2CC2)C1 234677943 571875811 /nfs/dbraw/zinc/87/58/11/571875811.db2.gz XKQVZWLETMDWIM-UHFFFAOYSA-N 0 3 198.266 0.032 20 0 ACADHN O[C@@H](CNCc1c[nH]cn1)C1CCC1 315775037 757113544 /nfs/dbraw/zinc/11/35/44/757113544.db2.gz QMKVSRLOFXBFEU-JTQLQIEISA-N 0 3 195.266 0.660 20 0 ACADHN O[C@H](CNCc1c[nH]cn1)C1CCC1 315775039 757114539 /nfs/dbraw/zinc/11/45/39/757114539.db2.gz QMKVSRLOFXBFEU-SNVBAGLBSA-N 0 3 195.266 0.660 20 0 ACADHN C[C@H](N)C(=O)NCc1nccs1 41013401 571969105 /nfs/dbraw/zinc/96/91/05/571969105.db2.gz SVBFOPNRHUNXQU-YFKPBYRVSA-N 0 3 185.252 0.107 20 0 ACADHN COC(=O)CCN1CC[C@@H](OC)C1 234823905 571970738 /nfs/dbraw/zinc/97/07/38/571970738.db2.gz VKCUBXOQAKNXPJ-MRVPVSSYSA-N 0 3 187.239 0.270 20 0 ACADHN CC[C@@H](CO)N(C)CC[S@](C)=O 400568652 757132067 /nfs/dbraw/zinc/13/20/67/757132067.db2.gz BSQUKCIXOOERRO-UFBFGSQYSA-N 0 3 193.312 0.068 20 0 ACADHN CC[C@@H](CO)N(C)CC[S@@](C)=O 400568651 757135290 /nfs/dbraw/zinc/13/52/90/757135290.db2.gz BSQUKCIXOOERRO-QPUJVOFHSA-N 0 3 193.312 0.068 20 0 ACADHN CCN(CCCO)CC[S@](C)=O 400606555 757133801 /nfs/dbraw/zinc/13/38/01/757133801.db2.gz IBUADRACSRATBE-LBPRGKRZSA-N 0 3 193.312 0.069 20 0 ACADHN CC[C@H](C)C[C@H](N)C(=O)N(C)C 400793254 757134115 /nfs/dbraw/zinc/13/41/15/757134115.db2.gz MSIUAXXNZWYVIU-YUMQZZPRSA-N 0 3 172.272 0.838 20 0 ACADHN CN(CC[S@@](C)=O)C(C)(C)CO 400607176 757134239 /nfs/dbraw/zinc/13/42/39/757134239.db2.gz IGWPHKVYTQOSRO-GFCCVEGCSA-N 0 3 193.312 0.068 20 0 ACADHN CC[C@@H](C)C[C@@H](N)C(=O)N(C)C 400793249 757135694 /nfs/dbraw/zinc/13/56/94/757135694.db2.gz MSIUAXXNZWYVIU-HTQZYQBOSA-N 0 3 172.272 0.838 20 0 ACADHN CN(CC[S@](C)=O)C(C)(C)CO 400607177 757138707 /nfs/dbraw/zinc/13/87/07/757138707.db2.gz IGWPHKVYTQOSRO-LBPRGKRZSA-N 0 3 193.312 0.068 20 0 ACADHN CC[C@@H](C)C[C@H](N)C(=O)N(C)C 400793252 757140320 /nfs/dbraw/zinc/14/03/20/757140320.db2.gz MSIUAXXNZWYVIU-SFYZADRCSA-N 0 3 172.272 0.838 20 0 ACADHN CCCN(CCO)CC[S@@](C)=O 400648160 757140503 /nfs/dbraw/zinc/14/05/03/757140503.db2.gz RLRVVDMFAPFJQQ-GFCCVEGCSA-N 0 3 193.312 0.069 20 0 ACADHN CCN(CCCO)CC[S@@](C)=O 400606553 757140624 /nfs/dbraw/zinc/14/06/24/757140624.db2.gz IBUADRACSRATBE-GFCCVEGCSA-N 0 3 193.312 0.069 20 0 ACADHN CC[C@H](CO)N(C)CC[S@@](C)=O 400568650 757141853 /nfs/dbraw/zinc/14/18/53/757141853.db2.gz BSQUKCIXOOERRO-PRHODGIISA-N 0 3 193.312 0.068 20 0 ACADHN CC[C@H](CO)N(C)CC[S@](C)=O 400568649 757142487 /nfs/dbraw/zinc/14/24/87/757142487.db2.gz BSQUKCIXOOERRO-PELKAZGASA-N 0 3 193.312 0.068 20 0 ACADHN CC[C@H](C)C[C@@H](N)C(=O)N(C)C 400793251 757142575 /nfs/dbraw/zinc/14/25/75/757142575.db2.gz MSIUAXXNZWYVIU-JGVFFNPUSA-N 0 3 172.272 0.838 20 0 ACADHN CCCN(CCO)CC[S@](C)=O 400648163 757142806 /nfs/dbraw/zinc/14/28/06/757142806.db2.gz RLRVVDMFAPFJQQ-LBPRGKRZSA-N 0 3 193.312 0.069 20 0 ACADHN C[C@@H]1C[C@@H](NCc2c[nH]cn2)CO1 401815976 757154248 /nfs/dbraw/zinc/15/42/48/757154248.db2.gz AKCIXWBRZVVQRU-HTQZYQBOSA-N 0 3 181.239 0.677 20 0 ACADHN C[C@@H]1C[C@@H](NCc2cnc[nH]2)CO1 401815976 757154289 /nfs/dbraw/zinc/15/42/89/757154289.db2.gz AKCIXWBRZVVQRU-HTQZYQBOSA-N 0 3 181.239 0.677 20 0 ACADHN C[C@@H]1C[C@H](NCc2c[nH]cn2)CO1 401815981 757154893 /nfs/dbraw/zinc/15/48/93/757154893.db2.gz AKCIXWBRZVVQRU-SFYZADRCSA-N 0 3 181.239 0.677 20 0 ACADHN C[C@@H]1C[C@H](NCc2cnc[nH]2)CO1 401815981 757154936 /nfs/dbraw/zinc/15/49/36/757154936.db2.gz AKCIXWBRZVVQRU-SFYZADRCSA-N 0 3 181.239 0.677 20 0 ACADHN C[C@H]1C[C@@H](NCc2c[nH]cn2)CO1 401815979 757157725 /nfs/dbraw/zinc/15/77/25/757157725.db2.gz AKCIXWBRZVVQRU-JGVFFNPUSA-N 0 3 181.239 0.677 20 0 ACADHN C[C@H]1C[C@@H](NCc2cnc[nH]2)CO1 401815979 757157750 /nfs/dbraw/zinc/15/77/50/757157750.db2.gz AKCIXWBRZVVQRU-JGVFFNPUSA-N 0 3 181.239 0.677 20 0 ACADHN C[C@H]1C[C@H](NCc2c[nH]cn2)CO1 401815984 757158577 /nfs/dbraw/zinc/15/85/77/757158577.db2.gz AKCIXWBRZVVQRU-YUMQZZPRSA-N 0 3 181.239 0.677 20 0 ACADHN C[C@H]1C[C@H](NCc2cnc[nH]2)CO1 401815984 757158589 /nfs/dbraw/zinc/15/85/89/757158589.db2.gz AKCIXWBRZVVQRU-YUMQZZPRSA-N 0 3 181.239 0.677 20 0 ACADHN C[C@H](O)[C@H](C)NCc1ccncn1 235561506 571992968 /nfs/dbraw/zinc/99/29/68/571992968.db2.gz NBAFKZZCXUZFET-YUMQZZPRSA-N 0 3 181.239 0.336 20 0 ACADHN C=CC(=O)N[C@@H](C)C1=CCN(C)CC1 585086892 757244453 /nfs/dbraw/zinc/24/44/53/757244453.db2.gz NHRBHONHFNEQQC-VIFPVBQESA-N 0 3 194.278 0.939 20 0 ACADHN COCC[C@H](C)NCc1c[nH]cn1 82394891 572024552 /nfs/dbraw/zinc/02/45/52/572024552.db2.gz RDUFZRSNUKKMLP-QMMMGPOBSA-N 0 3 183.255 0.924 20 0 ACADHN COCC[C@H](C)NCc1cnc[nH]1 82394891 572024554 /nfs/dbraw/zinc/02/45/54/572024554.db2.gz RDUFZRSNUKKMLP-QMMMGPOBSA-N 0 3 183.255 0.924 20 0 ACADHN NCCC[N@@H+]1CCC[C@H]1CC(=O)[O-] 82508054 572035027 /nfs/dbraw/zinc/03/50/27/572035027.db2.gz ZHZBUDLACOFQAX-QMMMGPOBSA-N 0 3 186.255 0.274 20 0 ACADHN NCCC[N@H+]1CCC[C@H]1CC(=O)[O-] 82508054 572035029 /nfs/dbraw/zinc/03/50/29/572035029.db2.gz ZHZBUDLACOFQAX-QMMMGPOBSA-N 0 3 186.255 0.274 20 0 ACADHN CC[C@H](N)C(=O)N[C@H]1C=CCC1 642858892 757267310 /nfs/dbraw/zinc/26/73/10/757267310.db2.gz SMOKXLIMZUEEHH-YUMQZZPRSA-N 0 3 168.240 0.559 20 0 ACADHN C[C@H]1CN(CCF)C[C@]1(C)CO 642843471 757267769 /nfs/dbraw/zinc/26/77/69/757267769.db2.gz IUPRMAGGWHANFL-DTWKUNHWSA-N 0 3 175.247 0.906 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H]1C=CCC1 642858891 757271092 /nfs/dbraw/zinc/27/10/92/757271092.db2.gz SMOKXLIMZUEEHH-SFYZADRCSA-N 0 3 168.240 0.559 20 0 ACADHN C[C@H]1CN(CCF)C[C@@]1(C)CO 642843472 757271622 /nfs/dbraw/zinc/27/16/22/757271622.db2.gz IUPRMAGGWHANFL-IUCAKERBSA-N 0 3 175.247 0.906 20 0 ACADHN c1nc(CNC[C@@H]2CCCOC2)n[nH]1 82581103 572062455 /nfs/dbraw/zinc/06/24/55/572062455.db2.gz STUKNOCCHVPSTA-QMMMGPOBSA-N 0 3 196.254 0.321 20 0 ACADHN c1nnc(CNC[C@@H]2CCCOC2)[nH]1 82581103 572062457 /nfs/dbraw/zinc/06/24/57/572062457.db2.gz STUKNOCCHVPSTA-QMMMGPOBSA-N 0 3 196.254 0.321 20 0 ACADHN C[C@@H]1CN(CCF)C[C@@]1(C)CO 642843470 757273899 /nfs/dbraw/zinc/27/38/99/757273899.db2.gz IUPRMAGGWHANFL-BDAKNGLRSA-N 0 3 175.247 0.906 20 0 ACADHN C[C@@H]1CN(CCF)C[C@]1(C)CO 642843473 757277507 /nfs/dbraw/zinc/27/75/07/757277507.db2.gz IUPRMAGGWHANFL-RKDXNWHRSA-N 0 3 175.247 0.906 20 0 ACADHN Cc1ncc(CNCCCO)s1 37797117 572192402 /nfs/dbraw/zinc/19/24/02/572192402.db2.gz KSTRXALFPDFSPJ-UHFFFAOYSA-N 0 3 186.280 0.924 20 0 ACADHN Cc1nc(CN[C@@H]2COC[C@@H]2C)n[nH]1 688003962 757317890 /nfs/dbraw/zinc/31/78/90/757317890.db2.gz AWRAQRHPTCILRX-POYBYMJQSA-N 0 3 196.254 0.238 20 0 ACADHN Cc1nc(CN[C@H]2COC[C@@H]2C)n[nH]1 688003966 757319053 /nfs/dbraw/zinc/31/90/53/757319053.db2.gz AWRAQRHPTCILRX-XPUUQOCRSA-N 0 3 196.254 0.238 20 0 ACADHN Cc1nc(CN[C@H]2COC[C@H]2C)n[nH]1 688003964 757321051 /nfs/dbraw/zinc/32/10/51/757321051.db2.gz AWRAQRHPTCILRX-SVRRBLITSA-N 0 3 196.254 0.238 20 0 ACADHN Cc1nc(CN[C@@H]2COC[C@H]2C)n[nH]1 688003956 757321195 /nfs/dbraw/zinc/32/11/95/757321195.db2.gz AWRAQRHPTCILRX-HTRCEHHLSA-N 0 3 196.254 0.238 20 0 ACADHN C[C@@H]1COC[C@@H]1NCc1c[nH]cn1 688052121 757328838 /nfs/dbraw/zinc/32/88/38/757328838.db2.gz CFHQBNLGPFESBV-APPZFPTMSA-N 0 3 181.239 0.534 20 0 ACADHN C[C@H]1COC[C@@H]1NCc1c[nH]cn1 688052126 757329130 /nfs/dbraw/zinc/32/91/30/757329130.db2.gz CFHQBNLGPFESBV-CBAPKCEASA-N 0 3 181.239 0.534 20 0 ACADHN C[C@@H]1COC[C@@H]1NCc1cncn1C 688030744 757330212 /nfs/dbraw/zinc/33/02/12/757330212.db2.gz RLXAKKMQPJBMNQ-SCZZXKLOSA-N 0 3 195.266 0.545 20 0 ACADHN C[C@H]1COC[C@H]1NCc1c[nH]cn1 688052127 757331461 /nfs/dbraw/zinc/33/14/61/757331461.db2.gz CFHQBNLGPFESBV-IONNQARKSA-N 0 3 181.239 0.534 20 0 ACADHN C[C@H]1COC[C@H]1NCc1cncn1C 688030746 757331673 /nfs/dbraw/zinc/33/16/73/757331673.db2.gz RLXAKKMQPJBMNQ-WCBMZHEXSA-N 0 3 195.266 0.545 20 0 ACADHN C[C@H]1COC[C@@H]1NCc1cncn1C 688030748 757332807 /nfs/dbraw/zinc/33/28/07/757332807.db2.gz RLXAKKMQPJBMNQ-WPRPVWTQSA-N 0 3 195.266 0.545 20 0 ACADHN C[C@@H]1COC[C@H]1NCc1cncn1C 688030742 757332912 /nfs/dbraw/zinc/33/29/12/757332912.db2.gz RLXAKKMQPJBMNQ-PSASIEDQSA-N 0 3 195.266 0.545 20 0 ACADHN C[C@@H]1COC[C@H]1NCc1c[nH]cn1 688052129 757332985 /nfs/dbraw/zinc/33/29/85/757332985.db2.gz CFHQBNLGPFESBV-VXNVDRBHSA-N 0 3 181.239 0.534 20 0 ACADHN OCCOCCN1CCC(F)CC1 689388666 757341828 /nfs/dbraw/zinc/34/18/28/757341828.db2.gz LKGBLJLFCRXQPV-UHFFFAOYSA-N 0 3 191.246 0.429 20 0 ACADHN Cc1ncc(CNC2CSC2)n1C 689256683 757345746 /nfs/dbraw/zinc/34/57/46/757345746.db2.gz IZTHLUUQFQTLGZ-UHFFFAOYSA-N 0 3 197.307 0.934 20 0 ACADHN C[C@@H](N)c1cn(CC2(O)CCC2)nn1 691274676 757354574 /nfs/dbraw/zinc/35/45/74/757354574.db2.gz RYCSWTYMFVBZLV-SSDOTTSWSA-N 0 3 196.254 0.213 20 0 ACADHN C[C@H](N)c1cn(CC2(O)CCC2)nn1 691274677 757358956 /nfs/dbraw/zinc/35/89/56/757358956.db2.gz RYCSWTYMFVBZLV-ZETCQYMHSA-N 0 3 196.254 0.213 20 0 ACADHN CC[C@@H](C)NCCS(C)(=O)=O 37491415 572161811 /nfs/dbraw/zinc/16/18/11/572161811.db2.gz YATZFMNZNFNXMF-SSDOTTSWSA-N 0 3 179.285 0.419 20 0 ACADHN CC1CC(CN(C)CC(N)=O)C1 691961065 757370921 /nfs/dbraw/zinc/37/09/21/757370921.db2.gz XZESYLYIGMUTTB-UHFFFAOYSA-N 0 3 170.256 0.450 20 0 ACADHN CO[N-]C(=O)CC[C@@H]1CCC[NH2+]C1 83116404 572195268 /nfs/dbraw/zinc/19/52/68/572195268.db2.gz BTDDQFAVHLCLND-QMMMGPOBSA-N 0 3 186.255 0.444 20 0 ACADHN OCCNCc1cccc2c1OCC2 693177674 757388127 /nfs/dbraw/zinc/38/81/27/757388127.db2.gz ZMAHCBZXPRQONS-UHFFFAOYSA-N 0 3 193.246 0.703 20 0 ACADHN Cc1c[nH]c(CN[C@H]2CCN(C)C2)n1 693478169 757390144 /nfs/dbraw/zinc/39/01/44/757390144.db2.gz WSDYMWCMFZSYDD-VIFPVBQESA-N 0 3 194.282 0.512 20 0 ACADHN Cc1c[nH]c(CN[C@@H]2CCN(C)C2)n1 693478166 757394164 /nfs/dbraw/zinc/39/41/64/757394164.db2.gz WSDYMWCMFZSYDD-SECBINFHSA-N 0 3 194.282 0.512 20 0 ACADHN c1nc2n(c1CNC1CC1)CCOC2 694925220 757401731 /nfs/dbraw/zinc/40/17/31/757401731.db2.gz HYZWPUWPGRMKRB-UHFFFAOYSA-N 0 3 193.250 0.665 20 0 ACADHN CO[C@@]1(C)C[C@H]1NCc1cnc[nH]1 694377303 757405130 /nfs/dbraw/zinc/40/51/30/757405130.db2.gz ZNOWTMSYQYDNLH-BDAKNGLRSA-N 0 3 181.239 0.677 20 0 ACADHN Cc1ccsc1[C@@H](N)CC(N)=O 20578066 572225048 /nfs/dbraw/zinc/22/50/48/572225048.db2.gz RCVLUBWCYDSDKY-LURJTMIESA-N 0 3 184.264 0.932 20 0 ACADHN CC(F)(F)C(C)(C)CNC(=O)CN 696985725 757429835 /nfs/dbraw/zinc/42/98/35/757429835.db2.gz FQDKEPKLKHGOOJ-UHFFFAOYSA-N 0 3 194.225 0.743 20 0 ACADHN N[C@H](CC1CC1)C(=O)N[C@@H]1C=CCC1 698230204 757449108 /nfs/dbraw/zinc/44/91/08/757449108.db2.gz HNKZABAQSVAUDJ-NXEZZACHSA-N 0 3 194.278 0.949 20 0 ACADHN COCCNCC(=O)N[C@@H]1C=CCC1 698240491 757449394 /nfs/dbraw/zinc/44/93/94/757449394.db2.gz MSDYWXJNIMDUNI-SECBINFHSA-N 0 3 198.266 0.057 20 0 ACADHN N[C@@H](CC1CC1)C(=O)N[C@@H]1C=CCC1 698230209 757449529 /nfs/dbraw/zinc/44/95/29/757449529.db2.gz HNKZABAQSVAUDJ-ZJUUUORDSA-N 0 3 194.278 0.949 20 0 ACADHN CC[C@@H](N)C(=O)N[C@H]1C=CCC1 698222424 757450363 /nfs/dbraw/zinc/45/03/63/757450363.db2.gz SMOKXLIMZUEEHH-JGVFFNPUSA-N 0 3 168.240 0.559 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H]1C=CCC1 698222423 757450673 /nfs/dbraw/zinc/45/06/73/757450673.db2.gz SMOKXLIMZUEEHH-HTQZYQBOSA-N 0 3 168.240 0.559 20 0 ACADHN N[C@H](CC1CC1)C(=O)N[C@H]1C=CCC1 698230208 757451309 /nfs/dbraw/zinc/45/13/09/757451309.db2.gz HNKZABAQSVAUDJ-VHSXEESVSA-N 0 3 194.278 0.949 20 0 ACADHN COCCNCC(=O)N[C@H]1C=CCC1 698240494 757452298 /nfs/dbraw/zinc/45/22/98/757452298.db2.gz MSDYWXJNIMDUNI-VIFPVBQESA-N 0 3 198.266 0.057 20 0 ACADHN N[C@@H](CC1CC1)C(=O)N[C@H]1C=CCC1 698230206 757452564 /nfs/dbraw/zinc/45/25/64/757452564.db2.gz HNKZABAQSVAUDJ-UWVGGRQHSA-N 0 3 194.278 0.949 20 0 ACADHN N[C@@H](C(=O)N[C@@H]1C=CCC1)C1CCC1 698309984 757454613 /nfs/dbraw/zinc/45/46/13/757454613.db2.gz FLINMDBVDKXVKR-NXEZZACHSA-N 0 3 194.278 0.949 20 0 ACADHN COC[C@H](NCc1nnc[nH]1)C(C)C 87479102 572493722 /nfs/dbraw/zinc/49/37/22/572493722.db2.gz AFSYLDHKYUPKOO-QMMMGPOBSA-N 0 3 198.270 0.565 20 0 ACADHN COC[C@H]([NH2+]Cc1nnc[n-]1)C(C)C 87479102 572493724 /nfs/dbraw/zinc/49/37/24/572493724.db2.gz AFSYLDHKYUPKOO-QMMMGPOBSA-N 0 3 198.270 0.565 20 0 ACADHN N[C@H](C(=O)N[C@@H]1C=CCC1)C1CCC1 698309992 757460061 /nfs/dbraw/zinc/46/00/61/757460061.db2.gz FLINMDBVDKXVKR-ZJUUUORDSA-N 0 3 194.278 0.949 20 0 ACADHN N[C@H](C(=O)N[C@H]1C=CCC1)C1CCC1 698309987 757462356 /nfs/dbraw/zinc/46/23/56/757462356.db2.gz FLINMDBVDKXVKR-UWVGGRQHSA-N 0 3 194.278 0.949 20 0 ACADHN N[C@@H](C(=O)N[C@H]1C=CCC1)C1CCC1 698309989 757462481 /nfs/dbraw/zinc/46/24/81/757462481.db2.gz FLINMDBVDKXVKR-VHSXEESVSA-N 0 3 194.278 0.949 20 0 ACADHN CCCO[N-]C(=O)[C@H]1CC[N@H+](C)C1 699850386 757477212 /nfs/dbraw/zinc/47/72/12/757477212.db2.gz QGPWVNNATPARLU-QMMMGPOBSA-N 0 3 186.255 0.396 20 0 ACADHN CCCO[N-]C(=O)[C@H]1CC[N@@H+](C)C1 699850386 757477214 /nfs/dbraw/zinc/47/72/14/757477214.db2.gz QGPWVNNATPARLU-QMMMGPOBSA-N 0 3 186.255 0.396 20 0 ACADHN CC[C@@H](CO)NCc1nccnc1C 699834320 757477256 /nfs/dbraw/zinc/47/72/56/757477256.db2.gz DJVLRCFTQCMRSR-VIFPVBQESA-N 0 3 195.266 0.646 20 0 ACADHN CCCO[N-]C(=O)[C@@H]1CC[N@H+](C)C1 699850385 757478566 /nfs/dbraw/zinc/47/85/66/757478566.db2.gz QGPWVNNATPARLU-MRVPVSSYSA-N 0 3 186.255 0.396 20 0 ACADHN CCCO[N-]C(=O)[C@@H]1CC[N@@H+](C)C1 699850385 757478588 /nfs/dbraw/zinc/47/85/88/757478588.db2.gz QGPWVNNATPARLU-MRVPVSSYSA-N 0 3 186.255 0.396 20 0 ACADHN CC[C@H](CO)NCc1nccnc1C 699864413 757479120 /nfs/dbraw/zinc/47/91/20/757479120.db2.gz DJVLRCFTQCMRSR-SECBINFHSA-N 0 3 195.266 0.646 20 0 ACADHN CN(CCF)C[C@H]1C[C@@H](O)C1 703735754 757482887 /nfs/dbraw/zinc/48/28/87/757482887.db2.gz OFLUZLPWHZVANW-OCAPTIKFSA-N 0 3 161.220 0.659 20 0 ACADHN CO[N-]C(=O)CC[C@@H]1CCC[NH2+]1 308091093 572673878 /nfs/dbraw/zinc/67/38/78/572673878.db2.gz TUCKCQXGUHMCTK-ZETCQYMHSA-N 0 3 172.228 0.196 20 0 ACADHN CCn1cncc1CNC[C@H](C)O 85183125 572701205 /nfs/dbraw/zinc/70/12/05/572701205.db2.gz SGNUBBVQRDSHNU-QMMMGPOBSA-N 0 3 183.255 0.373 20 0 ACADHN CC1(C)COC[C@H](CCO)N1 108284556 573723366 /nfs/dbraw/zinc/72/33/66/573723366.db2.gz PBJAIXJGAOHMEW-ZETCQYMHSA-N 0 3 159.229 0.136 20 0 ACADHN CCCN(CCO)CC(OC)OC 85351316 572734183 /nfs/dbraw/zinc/73/41/83/572734183.db2.gz BDCPGPYTBDATKU-UHFFFAOYSA-N 0 3 191.271 0.310 20 0 ACADHN COC(CN1CCCOCC1)OC 85351479 572735879 /nfs/dbraw/zinc/73/58/79/572735879.db2.gz RNPPTSZCJOIOTI-UHFFFAOYSA-N 0 3 189.255 0.328 20 0 ACADHN CN1CC[C@H](N)[C@@H]1c1cncs1 76608243 573900169 /nfs/dbraw/zinc/90/01/69/573900169.db2.gz WAGKHVWHXZRBRN-POYBYMJQSA-N 0 3 183.280 0.847 20 0 ACADHN O=S1(=O)CC[C@]2(CCCCN2)C1 75119434 572820470 /nfs/dbraw/zinc/82/04/70/572820470.db2.gz BNIPKRCSVCAFFB-MRVPVSSYSA-N 0 3 189.280 0.317 20 0 ACADHN O[C@@H]1CC[C@H](CNCc2c[nH]cn2)C1 236549881 572831043 /nfs/dbraw/zinc/83/10/43/572831043.db2.gz AQOBDGLUXUVLDO-WCBMZHEXSA-N 0 3 195.266 0.660 20 0 ACADHN CN(C[C@@H]1CCOC1)Cn1cnnc1 1116482956 757595216 /nfs/dbraw/zinc/59/52/16/757595216.db2.gz PKUWKQHNINNPLH-VIFPVBQESA-N 0 3 196.254 0.204 20 0 ACADHN Cc1cc(CN2CCC[C@@H]2CO)n[nH]1 1116439804 757597950 /nfs/dbraw/zinc/59/79/50/757597950.db2.gz VBDRJIPIGIGPNQ-SNVBAGLBSA-N 0 3 195.266 0.675 20 0 ACADHN Cc1cc(CN2CCC[C@H]2CO)n[nH]1 1116440847 757601036 /nfs/dbraw/zinc/60/10/36/757601036.db2.gz VBDRJIPIGIGPNQ-JTQLQIEISA-N 0 3 195.266 0.675 20 0 ACADHN CN(C[C@H]1CCOC1)Cn1cnnc1 1116482943 757607356 /nfs/dbraw/zinc/60/73/56/757607356.db2.gz PKUWKQHNINNPLH-SECBINFHSA-N 0 3 196.254 0.204 20 0 ACADHN CCN(CC)C(=O)[C@@H](N)CC1CC1 308207016 572938550 /nfs/dbraw/zinc/93/85/50/572938550.db2.gz ZPOLAWIWLZSMTB-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN CCc1cc(CN[C@@H](C)[C@@H](C)O)[nH]n1 1118087521 757652731 /nfs/dbraw/zinc/65/27/31/757652731.db2.gz BCFOUTCOHLBLGC-JGVFFNPUSA-N 0 3 197.282 0.831 20 0 ACADHN Cc1noc(C)c1NC(=O)C1(N)CC1 1118081564 757656182 /nfs/dbraw/zinc/65/61/82/757656182.db2.gz DKFFAULHNHROHM-UHFFFAOYSA-N 0 3 195.222 0.721 20 0 ACADHN CCc1cc(CN[C@H](C)[C@H](C)O)[nH]n1 1118087522 757656287 /nfs/dbraw/zinc/65/62/87/757656287.db2.gz BCFOUTCOHLBLGC-SFYZADRCSA-N 0 3 197.282 0.831 20 0 ACADHN CC[C@H](O)CNCc1ccc(=O)[nH]n1 1118155995 757661117 /nfs/dbraw/zinc/66/11/17/757661117.db2.gz PBUJMCCRKDYOAK-QMMMGPOBSA-N 0 3 197.238 0.043 20 0 ACADHN CCc1cc(CN[C@H](C)[C@@H](C)O)[nH]n1 1118087520 757661158 /nfs/dbraw/zinc/66/11/58/757661158.db2.gz BCFOUTCOHLBLGC-HTQZYQBOSA-N 0 3 197.282 0.831 20 0 ACADHN CCc1cc(CN[C@@H](C)[C@H](C)O)[nH]n1 1118087523 757663191 /nfs/dbraw/zinc/66/31/91/757663191.db2.gz BCFOUTCOHLBLGC-YUMQZZPRSA-N 0 3 197.282 0.831 20 0 ACADHN CCN(CCO)CCc1cn[nH]c1 308218247 572996160 /nfs/dbraw/zinc/99/61/60/572996160.db2.gz NCXAZBWTPMYKMD-UHFFFAOYSA-N 0 3 183.255 0.266 20 0 ACADHN Cc1cc(CN[C@H]2C[C@H](O)C2)[nH]n1 1118487951 757681442 /nfs/dbraw/zinc/68/14/42/757681442.db2.gz WQKYYEAXIKFBJN-XWEPSHTISA-N 0 3 181.239 0.331 20 0 ACADHN CC[C@@]1(NCc2nnc[nH]2)CCOC1 1118497783 757692789 /nfs/dbraw/zinc/69/27/89/757692789.db2.gz ZOJIUYCRCKYQGL-SECBINFHSA-N 0 3 196.254 0.463 20 0 ACADHN COCC(C)(C)NCc1nnc[nH]1 1118494362 757693340 /nfs/dbraw/zinc/69/33/40/757693340.db2.gz FFARSFWUGKJHEZ-UHFFFAOYSA-N 0 3 184.243 0.319 20 0 ACADHN CC[C@]1(NCc2nnc[nH]2)CCOC1 1118497784 757694650 /nfs/dbraw/zinc/69/46/50/757694650.db2.gz ZOJIUYCRCKYQGL-VIFPVBQESA-N 0 3 196.254 0.463 20 0 ACADHN CCOCC(C)(C)NCc1nnc[nH]1 1118501594 757695234 /nfs/dbraw/zinc/69/52/34/757695234.db2.gz XHFGKBUKXGTCIH-UHFFFAOYSA-N 0 3 198.270 0.709 20 0 ACADHN CN[C@@H](C)C(=O)Nc1c(C)noc1C 1118568450 757701481 /nfs/dbraw/zinc/70/14/81/757701481.db2.gz AEESCUUXCGNSCO-LURJTMIESA-N 0 3 197.238 0.838 20 0 ACADHN CN(C)CCONC(=O)C1=CCCC1 1118762973 757712828 /nfs/dbraw/zinc/71/28/28/757712828.db2.gz IBFXACLCQJQIMI-UHFFFAOYSA-N 0 3 198.266 0.706 20 0 ACADHN CN(C)CCONC(=O)C1CC=CC1 1118765190 757712955 /nfs/dbraw/zinc/71/29/55/757712955.db2.gz WCNOLVDUWCNWIE-UHFFFAOYSA-N 0 3 198.266 0.562 20 0 ACADHN CCCN(C)C(=O)NCCN(C)C 308226654 573023070 /nfs/dbraw/zinc/02/30/70/573023070.db2.gz NCFOIIAUCBEJOU-UHFFFAOYSA-N 0 3 187.287 0.599 20 0 ACADHN Cc1noc([C@@H]2NC[C@@H]3C[C@@H]32)n1 1119061514 757731154 /nfs/dbraw/zinc/73/11/54/757731154.db2.gz ODIXBUODKGFRNS-LYFYHCNISA-N 0 3 165.196 0.658 20 0 ACADHN C[C@H](C(=O)[O-])[N@H+](C)CC(C)(C)CN 86638455 957974176 /nfs/dbraw/zinc/97/41/76/957974176.db2.gz SGYBCDMTRBIBCI-SSDOTTSWSA-N 0 3 188.271 0.376 20 0 ACADHN C[C@H](C(=O)[O-])[N@@H+](C)CC(C)(C)CN 86638455 957974189 /nfs/dbraw/zinc/97/41/89/957974189.db2.gz SGYBCDMTRBIBCI-SSDOTTSWSA-N 0 3 188.271 0.376 20 0 ACADHN C[C@@H](C(=O)[O-])[N@H+](C)CC(C)(C)CN 86638454 957974578 /nfs/dbraw/zinc/97/45/78/957974578.db2.gz SGYBCDMTRBIBCI-ZETCQYMHSA-N 0 3 188.271 0.376 20 0 ACADHN C[C@@H](C(=O)[O-])[N@@H+](C)CC(C)(C)CN 86638454 957974584 /nfs/dbraw/zinc/97/45/84/957974584.db2.gz SGYBCDMTRBIBCI-ZETCQYMHSA-N 0 3 188.271 0.376 20 0 ACADHN Cc1ncoc1CNC[C@H]1C[C@H](O)C1 1119449744 757768388 /nfs/dbraw/zinc/76/83/88/757768388.db2.gz DOWBWSLOTOVGLE-KYZUINATSA-N 0 3 196.250 0.844 20 0 ACADHN Cc1ncoc1CN1CCC[C@H]1CO 1119444576 757776015 /nfs/dbraw/zinc/77/60/15/757776015.db2.gz CAYOEAGDDLZPBW-VIFPVBQESA-N 0 3 196.250 0.940 20 0 ACADHN CC[C@H](C(=O)NC1(C)CC1)N(C)C 1119563392 757783644 /nfs/dbraw/zinc/78/36/44/757783644.db2.gz HUYOPNSNSWUPHN-MRVPVSSYSA-N 0 3 184.283 0.995 20 0 ACADHN NCC(=O)N1CCC[C@@H]1c1cc[nH]n1 1119617763 757790759 /nfs/dbraw/zinc/79/07/59/757790759.db2.gz QDOQXFAHRSZEBQ-MRVPVSSYSA-N 0 3 194.238 0.032 20 0 ACADHN NCC(=O)N1CCC[C@H]1c1cc[nH]n1 1119617764 757791925 /nfs/dbraw/zinc/79/19/25/757791925.db2.gz QDOQXFAHRSZEBQ-QMMMGPOBSA-N 0 3 194.238 0.032 20 0 ACADHN C=CC(=O)N1CCN(C)[C@@H](C(C)C)C1 1120462508 757808467 /nfs/dbraw/zinc/80/84/67/757808467.db2.gz QRZSVUFPOOGELZ-SNVBAGLBSA-N 0 3 196.294 0.971 20 0 ACADHN NC(=O)CCN[C@@H]1C[C@H]1C(F)(F)F 1120588834 757813176 /nfs/dbraw/zinc/81/31/76/757813176.db2.gz GHPSXGBMGJBGDO-RFZPGFLSSA-N 0 3 196.172 0.402 20 0 ACADHN CCn1[nH]cnc1=NC[C@@H](C)N(C)C 1120890994 757821733 /nfs/dbraw/zinc/82/17/33/757821733.db2.gz VQVKWWXSYWDYRN-MRVPVSSYSA-N 0 3 197.286 0.082 20 0 ACADHN CCn1[nH]cnc1=N[C@@H](C)CN(C)C 1120930941 757822259 /nfs/dbraw/zinc/82/22/59/757822259.db2.gz AKEQFTRDGFIYIS-QMMMGPOBSA-N 0 3 197.286 0.082 20 0 ACADHN CCn1[nH]cnc1=NC[C@H](C)N(C)C 1120890995 757823159 /nfs/dbraw/zinc/82/31/59/757823159.db2.gz VQVKWWXSYWDYRN-QMMMGPOBSA-N 0 3 197.286 0.082 20 0 ACADHN CC[C@H](CC(F)(F)F)NC(=O)CN 1122367826 757835719 /nfs/dbraw/zinc/83/57/19/757835719.db2.gz HWXQXGDGQJIZNT-RXMQYKEDSA-N 0 3 198.188 0.792 20 0 ACADHN CCC(=O)NCCNC[C@@H](F)CC 1122348921 757835743 /nfs/dbraw/zinc/83/57/43/757835743.db2.gz AVBJABYUNMQOSI-QMMMGPOBSA-N 0 3 190.262 0.850 20 0 ACADHN CCC(=O)NCCNC[C@H](F)CC 1122348919 757835805 /nfs/dbraw/zinc/83/58/05/757835805.db2.gz AVBJABYUNMQOSI-MRVPVSSYSA-N 0 3 190.262 0.850 20 0 ACADHN CCc1onc(C)c1CNC(=O)CN 1122340777 757835891 /nfs/dbraw/zinc/83/58/91/757835891.db2.gz PPMDYNJRUOKIMC-UHFFFAOYSA-N 0 3 197.238 0.120 20 0 ACADHN CC[C@H](F)CNCCNC(C)=O 1122380462 757836090 /nfs/dbraw/zinc/83/60/90/757836090.db2.gz ZRGZFNBJSBKMSD-QMMMGPOBSA-N 0 3 176.235 0.460 20 0 ACADHN CC(C)C[C@@H](N)C(=O)Nc1cn[nH]n1 1122417966 757836392 /nfs/dbraw/zinc/83/63/92/757836392.db2.gz BAOJAXZIXPPVSA-ZCFIWIBFSA-N 0 3 197.242 0.117 20 0 ACADHN NC1(C(=O)NC/C=C/Cl)CC1 1122328929 757836759 /nfs/dbraw/zinc/83/67/59/757836759.db2.gz ZNKAUHDZUNNQAO-DAFODLJHSA-N 0 3 174.631 0.346 20 0 ACADHN CC[C@@H](CC(F)(F)F)NC(=O)CN 1122367827 757836843 /nfs/dbraw/zinc/83/68/43/757836843.db2.gz HWXQXGDGQJIZNT-YFKPBYRVSA-N 0 3 198.188 0.792 20 0 ACADHN C[C@@H](N)C(=O)NC/C=C/Cl 1122414602 757836833 /nfs/dbraw/zinc/83/68/33/757836833.db2.gz TUELGBVQLOWXBY-WVSAJJKCSA-N 0 3 162.620 0.202 20 0 ACADHN NC1(C(=O)NC/C=C\Cl)CC1 1122328930 757837035 /nfs/dbraw/zinc/83/70/35/757837035.db2.gz ZNKAUHDZUNNQAO-RJRFIUFISA-N 0 3 174.631 0.346 20 0 ACADHN CC[C@@H](F)CNCCNC(C)=O 1122380460 757837141 /nfs/dbraw/zinc/83/71/41/757837141.db2.gz ZRGZFNBJSBKMSD-MRVPVSSYSA-N 0 3 176.235 0.460 20 0 ACADHN C[C@@H](N)C(=O)NC/C=C\Cl 1122414601 757837649 /nfs/dbraw/zinc/83/76/49/757837649.db2.gz TUELGBVQLOWXBY-RLUJCOFPSA-N 0 3 162.620 0.202 20 0 ACADHN O=C(NCCNCCF)C1CCC1 1122462747 757838024 /nfs/dbraw/zinc/83/80/24/757838024.db2.gz XGIJSLZBCKMJLA-UHFFFAOYSA-N 0 3 188.246 0.462 20 0 ACADHN O=C(CC1CC1)NCCNCCF 1122539787 757838471 /nfs/dbraw/zinc/83/84/71/757838471.db2.gz WJCBTWSWRUTNMD-UHFFFAOYSA-N 0 3 188.246 0.462 20 0 ACADHN CC(C)(F)C(=O)NCCNCCF 1122510892 757838480 /nfs/dbraw/zinc/83/84/80/757838480.db2.gz XFZYQWZBCPQTNM-UHFFFAOYSA-N 0 3 194.225 0.410 20 0 ACADHN CC(F)(F)C(=O)NCCNCCF 1122523114 757838564 /nfs/dbraw/zinc/83/85/64/757838564.db2.gz KZRPSWCRJLKCFE-UHFFFAOYSA-N 0 3 198.188 0.317 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 1122538696 757840498 /nfs/dbraw/zinc/84/04/98/757840498.db2.gz CCNPIDHKYOSHRO-RBXMUDONSA-N 0 3 198.266 0.160 20 0 ACADHN CC(C)C(NC(=O)CN)C(C)C 1122575511 757840541 /nfs/dbraw/zinc/84/05/41/757840541.db2.gz KVURPQGMQIVBNK-UHFFFAOYSA-N 0 3 172.272 0.742 20 0 ACADHN C[C@H](N)C(=O)N1CCCc2n[nH]cc21 1122483592 757840791 /nfs/dbraw/zinc/84/07/91/757840791.db2.gz ZLPVRLUSGZWACP-LURJTMIESA-N 0 3 194.238 0.036 20 0 ACADHN NCC(=O)NCCCc1ccsc1 1122552933 757840891 /nfs/dbraw/zinc/84/08/91/757840891.db2.gz NITQQQHORYGFKM-UHFFFAOYSA-N 0 3 198.291 0.756 20 0 ACADHN CC(C)CC(=O)NCCNCCF 1122795423 757842204 /nfs/dbraw/zinc/84/22/04/757842204.db2.gz YFLPWAUVCWCYMY-UHFFFAOYSA-N 0 3 190.262 0.708 20 0 ACADHN C[C@@H]1C[C@H]1C(=O)NCCNCCF 1122928622 757845090 /nfs/dbraw/zinc/84/50/90/757845090.db2.gz KJAFQXPQWSKIKL-HTQZYQBOSA-N 0 3 188.246 0.318 20 0 ACADHN C[C@H]1C[C@H]1C(=O)NCCNCCF 1122928628 757845109 /nfs/dbraw/zinc/84/51/09/757845109.db2.gz KJAFQXPQWSKIKL-JGVFFNPUSA-N 0 3 188.246 0.318 20 0 ACADHN C[C@H]1C[C@@H]1C(=O)NCCNCCF 1122928630 757845967 /nfs/dbraw/zinc/84/59/67/757845967.db2.gz KJAFQXPQWSKIKL-YUMQZZPRSA-N 0 3 188.246 0.318 20 0 ACADHN CC(C)=CC(=O)NCCNCCF 1123002880 757845980 /nfs/dbraw/zinc/84/59/80/757845980.db2.gz NXWUVEFRLASWAD-UHFFFAOYSA-N 0 3 188.246 0.628 20 0 ACADHN C[C@@H]1C[C@@H]1C(=O)NCCNCCF 1122928629 757846079 /nfs/dbraw/zinc/84/60/79/757846079.db2.gz KJAFQXPQWSKIKL-SFYZADRCSA-N 0 3 188.246 0.318 20 0 ACADHN O=C(NCCNCCF)c1ccc[nH]1 1123445627 757846855 /nfs/dbraw/zinc/84/68/55/757846855.db2.gz YKFWAIKYONNEIB-UHFFFAOYSA-N 0 3 199.229 0.304 20 0 ACADHN CSCC(=O)NCCNCCF 1123172894 757848243 /nfs/dbraw/zinc/84/82/43/757848243.db2.gz NKTFEIFIPDBVJP-UHFFFAOYSA-N 0 3 194.275 0.025 20 0 ACADHN CC[C@H](C)C(=O)NCCNCCF 1123738575 757854770 /nfs/dbraw/zinc/85/47/70/757854770.db2.gz JRYVVEJNWQMFNP-QMMMGPOBSA-N 0 3 190.262 0.708 20 0 ACADHN CCCCC(=O)NCCNCCF 1123670538 757853612 /nfs/dbraw/zinc/85/36/12/757853612.db2.gz GRENTMHWZWDWHD-UHFFFAOYSA-N 0 3 190.262 0.852 20 0 ACADHN CC[C@@H](C)C(=O)NCCNCCF 1123738574 757853965 /nfs/dbraw/zinc/85/39/65/757853965.db2.gz JRYVVEJNWQMFNP-MRVPVSSYSA-N 0 3 190.262 0.708 20 0 ACADHN C/C=C(\C)C(=O)NCCNCCF 1125443881 757862059 /nfs/dbraw/zinc/86/20/59/757862059.db2.gz QCKLPFFTGAHJHY-FPYGCLRLSA-N 0 3 188.246 0.628 20 0 ACADHN C/C=C(/C)C(=O)NCCNCCF 1125443875 757862723 /nfs/dbraw/zinc/86/27/23/757862723.db2.gz QCKLPFFTGAHJHY-BAQGIRSFSA-N 0 3 188.246 0.628 20 0 ACADHN CN1CCN(CCCCCO)CC1 49806142 573094080 /nfs/dbraw/zinc/09/40/80/573094080.db2.gz AWXNVEJQJAYQQL-UHFFFAOYSA-N 0 3 186.299 0.396 20 0 ACADHN CC[C@H](F)C(=O)NCCNCCF 1132436819 757864790 /nfs/dbraw/zinc/86/47/90/757864790.db2.gz KGCFJPOGUJNUNS-ZETCQYMHSA-N 0 3 194.225 0.410 20 0 ACADHN O=C(CCCF)NCCNCCF 1132459906 757865306 /nfs/dbraw/zinc/86/53/06/757865306.db2.gz DGRSSNLGYUZWKU-UHFFFAOYSA-N 0 3 194.225 0.411 20 0 ACADHN CC[C@@H](F)C(=O)NCCNCCF 1132436818 757866651 /nfs/dbraw/zinc/86/66/51/757866651.db2.gz KGCFJPOGUJNUNS-SSDOTTSWSA-N 0 3 194.225 0.410 20 0 ACADHN O[C@@H](CNC1CC1)C(F)(F)F 82680440 573157108 /nfs/dbraw/zinc/15/71/08/573157108.db2.gz WBTIYYFLOYMEDV-YFKPBYRVSA-N 0 3 169.146 0.662 20 0 ACADHN C[C@H](N)c1cccc(CO)n1 104674225 573163931 /nfs/dbraw/zinc/16/39/31/573163931.db2.gz HPJQMQIVOUELDI-LURJTMIESA-N 0 3 152.197 0.594 20 0 ACADHN CCC(=O)NCCN1CCC[C@@H]1C 308291065 573170850 /nfs/dbraw/zinc/17/08/50/573170850.db2.gz HEBITNRFWLHMMS-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN COC(=O)c1ccc2c(c1)OC[C@H]2N 104685210 573186562 /nfs/dbraw/zinc/18/65/62/573186562.db2.gz AIFFLXZRXCBASW-MRVPVSSYSA-N 0 3 193.202 0.865 20 0 ACADHN CCOC[C@H](O)CN1CCC1(C)C 308305852 573198947 /nfs/dbraw/zinc/19/89/47/573198947.db2.gz NYASDKYUVIWNDF-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN CNCC(=O)N(C)c1c(C)noc1C 393617768 573205032 /nfs/dbraw/zinc/20/50/32/573205032.db2.gz YISGXFBWWAWIDA-UHFFFAOYSA-N 0 3 197.238 0.474 20 0 ACADHN CCCN(C)CC(=O)NC1(C)CC1 388687287 573218384 /nfs/dbraw/zinc/21/83/84/573218384.db2.gz JYOKHOHWJOZFNN-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CC[C@H](N)C(=O)N1C[C@H](F)[C@H](F)C1 714657877 573224662 /nfs/dbraw/zinc/22/46/62/573224662.db2.gz KIVLTAOJIUYGSF-XVMARJQXSA-N 0 3 192.209 0.242 20 0 ACADHN CCC(=O)CCN1CC[C@@H](CO)C1 308311962 573228013 /nfs/dbraw/zinc/22/80/13/573228013.db2.gz RWJCHPFCZBOXIZ-SECBINFHSA-N 0 3 185.267 0.670 20 0 ACADHN c1nc(CNCCN2CCC2)c[nH]1 308323245 573239158 /nfs/dbraw/zinc/23/91/58/573239158.db2.gz CUELZTZIRNSNHD-UHFFFAOYSA-N 0 3 180.255 0.205 20 0 ACADHN c1ncc(CNCCN2CCC2)[nH]1 308323245 573239162 /nfs/dbraw/zinc/23/91/62/573239162.db2.gz CUELZTZIRNSNHD-UHFFFAOYSA-N 0 3 180.255 0.205 20 0 ACADHN OC[C@H](NCc1ccccn1)C1CC1 308523447 573245959 /nfs/dbraw/zinc/24/59/59/573245959.db2.gz VQAQLHZDTQWZFM-NSHDSACASA-N 0 3 192.262 0.942 20 0 ACADHN CN1CC[C@](CN)(C(F)(F)F)C1=O 642883147 573256870 /nfs/dbraw/zinc/25/68/70/573256870.db2.gz FJWJKGXLRHZMDZ-ZCFIWIBFSA-N 0 3 196.172 0.356 20 0 ACADHN NC(=O)C1(NCC2CCOCC2)CC1 308531085 573261346 /nfs/dbraw/zinc/26/13/46/573261346.db2.gz ZXBHHNBYESWEMK-UHFFFAOYSA-N 0 3 198.266 0.021 20 0 ACADHN CON(C)C(=O)[C@H](C(C)C)N(C)C 219758046 573272980 /nfs/dbraw/zinc/27/29/80/573272980.db2.gz NCAZSKRSIHRGSW-QMMMGPOBSA-N 0 3 188.271 0.592 20 0 ACADHN CCn1cncc1CN[C@H](C)CCO 132416729 573308309 /nfs/dbraw/zinc/30/83/09/573308309.db2.gz SDOLFKKBQYNXGE-SECBINFHSA-N 0 3 197.282 0.764 20 0 ACADHN C[C@H]1CCCN(C(=O)OC2CNC2)C1 86230765 573324048 /nfs/dbraw/zinc/32/40/48/573324048.db2.gz QFDRQZXJVFKIQU-QMMMGPOBSA-N 0 3 198.266 0.827 20 0 ACADHN CS(=O)(=O)CCNC1CC=CC1 132917250 573350770 /nfs/dbraw/zinc/35/07/70/573350770.db2.gz IPPLDTCMIMZHMC-UHFFFAOYSA-N 0 3 189.280 0.339 20 0 ACADHN C[C@@H](CCO)NC[C@@H](O)c1ccco1 132905080 573352002 /nfs/dbraw/zinc/35/20/02/573352002.db2.gz KQXPPLAGZNNEFG-DTWKUNHWSA-N 0 3 199.250 0.674 20 0 ACADHN CC1(C[C@H](N)C(N)=O)CCCC1 117651703 573359197 /nfs/dbraw/zinc/35/91/97/573359197.db2.gz GZUUKNVQJRUYTD-ZETCQYMHSA-N 0 3 170.256 0.769 20 0 ACADHN NC(=O)CCNC/C=C/Cl 236190869 573374983 /nfs/dbraw/zinc/37/49/83/573374983.db2.gz RAGFEWUBMJITPY-HNQUOIGGSA-N 0 3 162.620 0.204 20 0 ACADHN CC[C@H](O)CN(C)C1(COC)CC1 308379702 573393949 /nfs/dbraw/zinc/39/39/49/573393949.db2.gz ULBFZWBXISZAAI-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN COC(=O)NC[C@@H]1CCN(C)C1 74864425 573404538 /nfs/dbraw/zinc/40/45/38/573404538.db2.gz UZHXYEKZEWNCCL-ZETCQYMHSA-N 0 3 172.228 0.294 20 0 ACADHN c1nc2c([nH]1)[C@@H]([C@@H]1CCOC1)NCC2 257810544 573405311 /nfs/dbraw/zinc/40/53/11/573405311.db2.gz ALGHWGJCKVJPOE-VXNVDRBHSA-N 0 3 193.250 0.633 20 0 ACADHN C[C@H](N)c1cn(CCC[C@@H](C)O)nn1 308575374 573405665 /nfs/dbraw/zinc/40/56/65/573405665.db2.gz MIHWOLVHWJCUCH-SFYZADRCSA-N 0 3 198.270 0.459 20 0 ACADHN C[C@H](O)CCCn1cc([C@H](C)N)nn1 308575375 573406167 /nfs/dbraw/zinc/40/61/67/573406167.db2.gz MIHWOLVHWJCUCH-YUMQZZPRSA-N 0 3 198.270 0.459 20 0 ACADHN CCO[N-]C(=O)[C@@H]1CCCC[C@@H]1[NH3+] 83116774 573407896 /nfs/dbraw/zinc/40/78/96/573407896.db2.gz UPSKIVPPEHHYEI-SFYZADRCSA-N 0 3 186.255 0.572 20 0 ACADHN CO[N-]C(=O)[C@@H]1CCCC[C@@H]1[NH3+] 83116529 573408023 /nfs/dbraw/zinc/40/80/23/573408023.db2.gz XFIMPJIGPPMUAZ-RQJHMYQMSA-N 0 3 172.228 0.182 20 0 ACADHN CC[C@@](C)(O)CNCc1cn(C)cn1 308574410 573408051 /nfs/dbraw/zinc/40/80/51/573408051.db2.gz LWWSRKRLXDQMQF-SNVBAGLBSA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@H](C)C[C@@H](N)C(N)=O 83144528 573423153 /nfs/dbraw/zinc/42/31/53/573423153.db2.gz INMLFLYDBXKXKZ-NTSWFWBYSA-N 0 3 144.218 0.235 20 0 ACADHN C[C@@H](CN)NC(=O)C(=O)C(C)(C)C 308586353 573443499 /nfs/dbraw/zinc/44/34/99/573443499.db2.gz SBUNFMSZCKQVBT-LURJTMIESA-N 0 3 186.255 0.065 20 0 ACADHN OCCOCCN1CC[C@@H](CF)C1 711450177 571972715 /nfs/dbraw/zinc/97/27/15/571972715.db2.gz AHBLNQCIRICUFM-VIFPVBQESA-N 0 3 191.246 0.287 20 0 ACADHN CCOC[C@@H](C)NCc1cncn1C 82432833 572026764 /nfs/dbraw/zinc/02/67/64/572026764.db2.gz LKIBGRFMVXKKKR-SECBINFHSA-N 0 3 197.282 0.935 20 0 ACADHN C/C=C/C(=O)NCCN1CCCC1 82435434 572027858 /nfs/dbraw/zinc/02/78/58/572027858.db2.gz JSASMNLRYRUONQ-GORDUTHDSA-N 0 3 182.267 0.775 20 0 ACADHN C[C@@]1(C(=O)[O-])CC[N@H+](CCCN)C1 82505436 572036604 /nfs/dbraw/zinc/03/66/04/572036604.db2.gz RSBOIYPTYRSMCN-SECBINFHSA-N 0 3 186.255 0.132 20 0 ACADHN C[C@@]1(C(=O)[O-])CC[N@@H+](CCCN)C1 82505436 572036607 /nfs/dbraw/zinc/03/66/07/572036607.db2.gz RSBOIYPTYRSMCN-SECBINFHSA-N 0 3 186.255 0.132 20 0 ACADHN CO[N-]C(=O)CC1C[C@@H]2CC[C@H](C1)[NH2+]2 86573152 573493081 /nfs/dbraw/zinc/49/30/81/573493081.db2.gz BRPOTBJIZSKKST-CBLAIPOGSA-N 0 3 198.266 0.585 20 0 ACADHN CNCC(=O)Nc1ccc(OC)nc1 19516128 572187310 /nfs/dbraw/zinc/18/73/10/572187310.db2.gz GPXRTVVKUDXVSI-UHFFFAOYSA-N 0 3 195.222 0.248 20 0 ACADHN CN1CC(NC2CC2)C1 107395722 573554643 /nfs/dbraw/zinc/55/46/43/573554643.db2.gz SIBIUPLDELIITK-UHFFFAOYSA-N 0 3 126.203 0.052 20 0 ACADHN CC(C)COC[C@@H](O)CNCCF 308207058 572937964 /nfs/dbraw/zinc/93/79/64/572937964.db2.gz ZQYMNBKFRVIECG-VIFPVBQESA-N 0 3 193.262 0.579 20 0 ACADHN Nc1cc2c(s1)CCNC2 75464326 573576885 /nfs/dbraw/zinc/57/68/85/573576885.db2.gz IKLHYTSLISQQFA-UHFFFAOYSA-N 0 3 154.238 0.976 20 0 ACADHN Cc1ccc(CNCCC(N)=O)nc1 88135007 572968205 /nfs/dbraw/zinc/96/82/05/572968205.db2.gz CXPOKJMOKMNRRA-UHFFFAOYSA-N 0 3 193.250 0.355 20 0 ACADHN Cc1cc([C@@H](C)N)n(C)n1 82410458 573030010 /nfs/dbraw/zinc/03/00/10/573030010.db2.gz CXEIEACTYOVXOR-ZCFIWIBFSA-N 0 3 139.202 0.748 20 0 ACADHN COc1cccc(C)c1[C@H](N)CN 104580510 573028507 /nfs/dbraw/zinc/02/85/07/573028507.db2.gz NDOQYBATTZCKML-MRVPVSSYSA-N 0 3 180.251 0.962 20 0 ACADHN C[NH2+]CCc1nc(C)cc(=O)[n-]1 82425465 573029889 /nfs/dbraw/zinc/02/98/89/573029889.db2.gz ORUZZKQACSWFPT-UHFFFAOYSA-N 0 3 167.212 0.253 20 0 ACADHN C[C@H](O)CNCc1ccc(F)nc1 308248919 573051047 /nfs/dbraw/zinc/05/10/47/573051047.db2.gz GTFPIFMXJRPYCM-ZETCQYMHSA-N 0 3 184.214 0.691 20 0 ACADHN C[C@@H](O)CNCc1ccc(F)nc1 308248918 573051538 /nfs/dbraw/zinc/05/15/38/573051538.db2.gz GTFPIFMXJRPYCM-SSDOTTSWSA-N 0 3 184.214 0.691 20 0 ACADHN CC[C@H](O)CN1CCN(C)[C@H](C)C1 82484234 573069144 /nfs/dbraw/zinc/06/91/44/573069144.db2.gz TXRYGAKPSRTEBL-ZJUUUORDSA-N 0 3 186.299 0.393 20 0 ACADHN CC[C@@H](O)CN1CCN(C)[C@H](C)C1 82484235 573072323 /nfs/dbraw/zinc/07/23/23/573072323.db2.gz TXRYGAKPSRTEBL-NXEZZACHSA-N 0 3 186.299 0.393 20 0 ACADHN CC[C@@H](CO)NCc1cc(C)[nH]n1 308262574 573106973 /nfs/dbraw/zinc/10/69/73/573106973.db2.gz NMQBCLLZGAKLOG-QMMMGPOBSA-N 0 3 183.255 0.579 20 0 ACADHN CC[C@@H](CO)NCc1cc(C)n[nH]1 308262574 573106978 /nfs/dbraw/zinc/10/69/78/573106978.db2.gz NMQBCLLZGAKLOG-QMMMGPOBSA-N 0 3 183.255 0.579 20 0 ACADHN Nc1ccc2c(c1)OC[C@@H]2N 104659765 573137705 /nfs/dbraw/zinc/13/77/05/573137705.db2.gz NUBUAOZJUKDCCF-ZETCQYMHSA-N 0 3 150.181 0.661 20 0 ACADHN Nc1ccc2c(c1)OC[C@H]2N 104659768 573137877 /nfs/dbraw/zinc/13/78/77/573137877.db2.gz NUBUAOZJUKDCCF-SSDOTTSWSA-N 0 3 150.181 0.661 20 0 ACADHN NC(=O)C1(NC[C@@H]2CCC=CO2)CC1 308504793 573151131 /nfs/dbraw/zinc/15/11/31/573151131.db2.gz CZVXNXUHJQOMNP-QMMMGPOBSA-N 0 3 196.250 0.287 20 0 ACADHN C[C@@H](O)[C@H](N)c1ccccc1N 104672088 573161536 /nfs/dbraw/zinc/16/15/36/573161536.db2.gz VDWXMALBALMJRC-MUWHJKNJSA-N 0 3 166.224 0.649 20 0 ACADHN CO[C@@H](CN)C(=O)NCC1CC=CC1 717293655 573244662 /nfs/dbraw/zinc/24/46/62/573244662.db2.gz LVNZZPSMTFRGBI-VIFPVBQESA-N 0 3 198.266 0.043 20 0 ACADHN OCC[C@@H](NCc1ccno1)C1CC1 308531055 573262860 /nfs/dbraw/zinc/26/28/60/573262860.db2.gz ZVEGRJUQGYSRKR-SNVBAGLBSA-N 0 3 196.250 0.925 20 0 ACADHN C[C@@H](NC[C@H]1CCC=CO1)C(N)=O 50267939 573337154 /nfs/dbraw/zinc/33/71/54/573337154.db2.gz ZDLYSQAYIAJMLP-HTQZYQBOSA-N 0 3 184.239 0.143 20 0 ACADHN C[C@@H](NC[C@@H]1CCC=CO1)C(N)=O 50267937 573336863 /nfs/dbraw/zinc/33/68/63/573336863.db2.gz ZDLYSQAYIAJMLP-SFYZADRCSA-N 0 3 184.239 0.143 20 0 ACADHN C[C@H](CN)C(=O)N=c1sccn1C 308561992 573356191 /nfs/dbraw/zinc/35/61/91/573356191.db2.gz FVEMVLSJOUMRTE-ZCFIWIBFSA-N 0 3 199.279 0.109 20 0 ACADHN N[C@H]1c2ccc(F)cc2OC[C@H]1O 117693072 573363771 /nfs/dbraw/zinc/36/37/71/573363771.db2.gz JJFSXIINVCCISU-APPZFPTMSA-N 0 3 183.182 0.579 20 0 ACADHN Cc1cc(CN[C@H](C)CCO)n(C)n1 133046768 573368545 /nfs/dbraw/zinc/36/85/45/573368545.db2.gz GAVYFAJTCIHFBI-MRVPVSSYSA-N 0 3 197.282 0.589 20 0 ACADHN CCN(CCCOC)CC(=O)NC 308370879 573381887 /nfs/dbraw/zinc/38/18/87/573381887.db2.gz QDLYPZIFTPQHDD-UHFFFAOYSA-N 0 3 188.271 0.091 20 0 ACADHN Cn1cnc(CNC[C@H]2CCOC2)c1 308586349 573445212 /nfs/dbraw/zinc/44/52/12/573445212.db2.gz SBOOVGQNRKJLBG-SECBINFHSA-N 0 3 195.266 0.546 20 0 ACADHN Cn1cnc(CNCC2(C)COC2)c1 308606185 573521733 /nfs/dbraw/zinc/52/17/33/573521733.db2.gz HUSOSGDAAZYCFJ-UHFFFAOYSA-N 0 3 195.266 0.546 20 0 ACADHN CN(C)CC(C)(C)NCc1ncc[nH]1 308612885 573521989 /nfs/dbraw/zinc/52/19/89/573521989.db2.gz GKRBCZVDYMDBGJ-UHFFFAOYSA-N 0 3 196.298 0.840 20 0 ACADHN C[C@H](O)[C@@H](C)N1CC[C@@H](F)C1 689908170 573597424 /nfs/dbraw/zinc/59/74/24/573597424.db2.gz IHMQCIBWESOTKR-GJMOJQLCSA-N 0 3 161.220 0.800 20 0 ACADHN OCCN(CCF)C1CCOCC1 308406324 573611080 /nfs/dbraw/zinc/61/10/80/573611080.db2.gz MENHGIQYHIJHKE-UHFFFAOYSA-N 0 3 191.246 0.429 20 0 ACADHN C[C@@H](NCCCF)c1ccc(=O)[nH]n1 308642549 573616608 /nfs/dbraw/zinc/61/66/08/573616608.db2.gz FNBDSKIRANSNEW-SSDOTTSWSA-N 0 3 199.229 0.780 20 0 ACADHN C[C@H](NCCCF)c1ccc(=O)[nH]n1 308642551 573617053 /nfs/dbraw/zinc/61/70/53/573617053.db2.gz FNBDSKIRANSNEW-ZETCQYMHSA-N 0 3 199.229 0.780 20 0 ACADHN CCCNC(=O)[C@@](C)(N)CC 86800661 573625546 /nfs/dbraw/zinc/62/55/46/573625546.db2.gz BJVDYWBBZPDMGE-QMMMGPOBSA-N 0 3 158.245 0.640 20 0 ACADHN CC[C@](C)(N)C(=O)Nc1ccn(C)n1 86803199 573627679 /nfs/dbraw/zinc/62/76/79/573627679.db2.gz JNLDXBDQRFYQJN-VIFPVBQESA-N 0 3 196.254 0.486 20 0 ACADHN CCNC(=O)[C@](C)(N)CC 86800816 573627698 /nfs/dbraw/zinc/62/76/98/573627698.db2.gz NUFSWNQZNOIQNN-SSDOTTSWSA-N 0 3 144.218 0.250 20 0 ACADHN CCCNC(=O)[C@](C)(N)CC 86800660 573628479 /nfs/dbraw/zinc/62/84/79/573628479.db2.gz BJVDYWBBZPDMGE-MRVPVSSYSA-N 0 3 158.245 0.640 20 0 ACADHN Cc1n[nH]cc1CN[C@@H]1COC[C@@H]1C 687963873 573630067 /nfs/dbraw/zinc/63/00/67/573630067.db2.gz IHWRVMQXHLZAEQ-OIBJUYFYSA-N 0 3 195.266 0.843 20 0 ACADHN Cc1n[nH]cc1CN[C@H]1COC[C@@H]1C 687963879 573630300 /nfs/dbraw/zinc/63/03/00/573630300.db2.gz IHWRVMQXHLZAEQ-XVKPBYJWSA-N 0 3 195.266 0.843 20 0 ACADHN C[C@@H](NC1(C(N)=O)CC1)[C@@H]1CCOC1 308667308 573667588 /nfs/dbraw/zinc/66/75/88/573667588.db2.gz TUQIGGYHVUPKTG-HTQZYQBOSA-N 0 3 198.266 0.019 20 0 ACADHN Cc1cc(CNC(=O)C2(N)CC2)on1 83835684 573678650 /nfs/dbraw/zinc/67/86/50/573678650.db2.gz LKEINHBAQYXUFU-UHFFFAOYSA-N 0 3 195.222 0.091 20 0 ACADHN NC1(C(=O)NCC2CCOCC2)CC1 83836187 573678703 /nfs/dbraw/zinc/67/87/03/573678703.db2.gz IYKTWZRPDKDOIT-UHFFFAOYSA-N 0 3 198.266 0.021 20 0 ACADHN C(=C1CNC1)[C@@H]1CCCO1 86881899 573679023 /nfs/dbraw/zinc/67/90/23/573679023.db2.gz ZEALZCXLOKLCOJ-QMMMGPOBSA-N 0 3 139.198 0.695 20 0 ACADHN OC1(COC2CNC2)CCCCC1 236467690 573686034 /nfs/dbraw/zinc/68/60/34/573686034.db2.gz WJEQKZBUMXWSGN-UHFFFAOYSA-N 0 3 185.267 0.670 20 0 ACADHN Cc1cc(CO)c(CN)c(=O)[nH]1 238487408 573730602 /nfs/dbraw/zinc/73/06/02/573730602.db2.gz MFISCZAQHZPIHI-UHFFFAOYSA-N 0 3 168.196 0.047 20 0 ACADHN C[C@@H](N)c1cn([C@@H]2CCOC2)nn1 125004810 573738620 /nfs/dbraw/zinc/73/86/20/573738620.db2.gz ABHKFJSKVQDYDW-RNFRBKRXSA-N 0 3 182.227 0.259 20 0 ACADHN c1nc(CN[C@@H]2CCOC2)c[nH]1 84080864 573760389 /nfs/dbraw/zinc/76/03/89/573760389.db2.gz ZVNSOAILFXAWSU-SSDOTTSWSA-N 0 3 167.212 0.288 20 0 ACADHN c1ncc(CN[C@@H]2CCOC2)[nH]1 84080864 573760391 /nfs/dbraw/zinc/76/03/91/573760391.db2.gz ZVNSOAILFXAWSU-SSDOTTSWSA-N 0 3 167.212 0.288 20 0 ACADHN OC1(CNCc2cnccn2)CCC1 131142013 573770551 /nfs/dbraw/zinc/77/05/51/573770551.db2.gz BBQNBWMRHGYNLT-UHFFFAOYSA-N 0 3 193.250 0.481 20 0 ACADHN CN(CCO)c1ccnc(CO)c1 40879174 573772869 /nfs/dbraw/zinc/77/28/69/573772869.db2.gz PYEMQZVLGRZLJS-UHFFFAOYSA-N 0 3 182.223 0.002 20 0 ACADHN CCN(CCO)c1ccnc(CO)c1 40879137 573772391 /nfs/dbraw/zinc/77/23/91/573772391.db2.gz LUMVMWIUIAMDAL-UHFFFAOYSA-N 0 3 196.250 0.393 20 0 ACADHN Cc1cc([C@H](C)N[C@@H](C)CO)n(C)n1 308739529 573783026 /nfs/dbraw/zinc/78/30/26/573783026.db2.gz NPUIXHYFIJVPLI-IUCAKERBSA-N 0 3 197.282 0.760 20 0 ACADHN C[C@@H](O)[C@@H](C)N1CCSCC1 87137362 573792353 /nfs/dbraw/zinc/79/23/53/573792353.db2.gz LODCEDNNQRUEFS-HTQZYQBOSA-N 0 3 175.297 0.805 20 0 ACADHN Cc1n[nH]cc1CN[C@@H](CO)C1CC1 308729311 573792547 /nfs/dbraw/zinc/79/25/47/573792547.db2.gz IJWRMOKJLNYPQZ-JTQLQIEISA-N 0 3 195.266 0.579 20 0 ACADHN CCNCC(=O)NC1(C2CC2)CC1 308730182 573794128 /nfs/dbraw/zinc/79/41/28/573794128.db2.gz JACWQLZRFRZHBW-UHFFFAOYSA-N 0 3 182.267 0.655 20 0 ACADHN Cc1cc(CNCC[C@H](C)O)n(C)n1 84244735 573803258 /nfs/dbraw/zinc/80/32/58/573803258.db2.gz YMVNTAZXUKTUCZ-VIFPVBQESA-N 0 3 197.282 0.589 20 0 ACADHN Cc1cc(COC2CNC2)n(C)n1 84245406 573803327 /nfs/dbraw/zinc/80/33/27/573803327.db2.gz KFHNEEHNJVOMDP-UHFFFAOYSA-N 0 3 181.239 0.217 20 0 ACADHN CN[C@@H](C)c1nc([C@@H]2CCCN2)no1 258135727 573803720 /nfs/dbraw/zinc/80/37/20/573803720.db2.gz VBIOFKUCOMYECX-BQBZGAKWSA-N 0 3 196.254 0.775 20 0 ACADHN CCC[C@@H](O)CNCc1n[nH]cc1C 308744238 573811828 /nfs/dbraw/zinc/81/18/28/573811828.db2.gz QOIUECPATLOEDS-SECBINFHSA-N 0 3 197.282 0.969 20 0 ACADHN Oc1ccc(COC2CNC2)cc1 87178548 573812310 /nfs/dbraw/zinc/81/23/10/573812310.db2.gz CHLHHBOMLOHBNQ-UHFFFAOYSA-N 0 3 179.219 0.881 20 0 ACADHN Cc1cc(CNC[C@H]2CCCO2)n[nH]1 41050794 573819422 /nfs/dbraw/zinc/81/94/22/573819422.db2.gz WZHMJFAQFFUCNZ-SNVBAGLBSA-N 0 3 195.266 0.987 20 0 ACADHN Cc1cc(CNC[C@H]2CCCO2)[nH]n1 41050794 573819428 /nfs/dbraw/zinc/81/94/28/573819428.db2.gz WZHMJFAQFFUCNZ-SNVBAGLBSA-N 0 3 195.266 0.987 20 0 ACADHN COCC[C@@H](C)NCc1cn(C)cn1 393669158 573822475 /nfs/dbraw/zinc/82/24/75/573822475.db2.gz QUZZTPVGLSALFO-SECBINFHSA-N 0 3 197.282 0.935 20 0 ACADHN Cc1cc(CNC[C@@H]2CCCO2)n[nH]1 41050793 573822768 /nfs/dbraw/zinc/82/27/68/573822768.db2.gz WZHMJFAQFFUCNZ-JTQLQIEISA-N 0 3 195.266 0.987 20 0 ACADHN Cc1cc(CNC[C@@H]2CCCO2)[nH]n1 41050793 573822773 /nfs/dbraw/zinc/82/27/73/573822773.db2.gz WZHMJFAQFFUCNZ-JTQLQIEISA-N 0 3 195.266 0.987 20 0 ACADHN NC[C@@H](F)C1CC1 84305789 573822783 /nfs/dbraw/zinc/82/27/83/573822783.db2.gz MHWZPBFQOUQYNL-RXMQYKEDSA-N 0 3 103.140 0.693 20 0 ACADHN Cc1cc(CNCCCCCO)[nH]n1 308751757 573827282 /nfs/dbraw/zinc/82/72/82/573827282.db2.gz UROBQWKCJSDTDS-UHFFFAOYSA-N 0 3 197.282 0.970 20 0 ACADHN CCC[C@H](O)CNCc1cc(C)[nH]n1 308751058 573827377 /nfs/dbraw/zinc/82/73/77/573827377.db2.gz UMZRGYGDAMIPFA-JTQLQIEISA-N 0 3 197.282 0.969 20 0 ACADHN CCC[C@H](O)CNCc1cc(C)n[nH]1 308751058 573827382 /nfs/dbraw/zinc/82/73/82/573827382.db2.gz UMZRGYGDAMIPFA-JTQLQIEISA-N 0 3 197.282 0.969 20 0 ACADHN Cc1cc(CNC[C@@H]2CCOC2)[nH]n1 308761702 573840462 /nfs/dbraw/zinc/84/04/62/573840462.db2.gz YECTZOIDFPXWKQ-VIFPVBQESA-N 0 3 195.266 0.844 20 0 ACADHN CC(C)CN1CCCNC(=O)C1 238150345 573849133 /nfs/dbraw/zinc/84/91/33/573849133.db2.gz CIQIFCVIZXIYSM-UHFFFAOYSA-N 0 3 170.256 0.464 20 0 ACADHN C[C@H](CNCc1cnn(C)n1)C1CC1 308454143 573853172 /nfs/dbraw/zinc/85/31/72/573853172.db2.gz AXFHWELAZYHTRV-MRVPVSSYSA-N 0 3 194.282 0.951 20 0 ACADHN N[C@@H](CC1CC1)C(=O)N[C@@H]1CCOC1 308455571 573854703 /nfs/dbraw/zinc/85/47/03/573854703.db2.gz DTRAZVKOGFCQNU-BDAKNGLRSA-N 0 3 198.266 0.019 20 0 ACADHN CC(C)(O)[C@@H](N)c1ccccn1 84330989 573858003 /nfs/dbraw/zinc/85/80/03/573858003.db2.gz WXZGIOCMBZCJGO-QMMMGPOBSA-N 0 3 166.224 0.852 20 0 ACADHN CC(C)(O)[C@H](N)c1ccccn1 84330987 573858018 /nfs/dbraw/zinc/85/80/18/573858018.db2.gz WXZGIOCMBZCJGO-MRVPVSSYSA-N 0 3 166.224 0.852 20 0 ACADHN N[C@H](CC1CC1)C(=O)N[C@@H]1CCOC1 308455934 573858069 /nfs/dbraw/zinc/85/80/69/573858069.db2.gz DTRAZVKOGFCQNU-RKDXNWHRSA-N 0 3 198.266 0.019 20 0 ACADHN c1nc2c([nH]1)[C@]1(CCCOC1)NCC2 257890873 573860897 /nfs/dbraw/zinc/86/08/97/573860897.db2.gz XCMCZVOOMJUNGS-SNVBAGLBSA-N 0 3 193.250 0.561 20 0 ACADHN COCCCNCc1cc(C)n[nH]1 308460394 573874405 /nfs/dbraw/zinc/87/44/05/573874405.db2.gz HGVFNTBXNFDXCZ-UHFFFAOYSA-N 0 3 183.255 0.844 20 0 ACADHN CCNCC(=O)N(C)Cc1ccco1 44286234 573895450 /nfs/dbraw/zinc/89/54/50/573895450.db2.gz PDIQGPDMEQPANF-UHFFFAOYSA-N 0 3 196.250 0.848 20 0 ACADHN CCNCC(=O)NCCCOCC 44290715 573895706 /nfs/dbraw/zinc/89/57/06/573895706.db2.gz FEJFVLYBUVAYJM-UHFFFAOYSA-N 0 3 188.271 0.139 20 0 ACADHN CCCCN(C)C(=O)CNCC 44294258 573898021 /nfs/dbraw/zinc/89/80/21/573898021.db2.gz WSFFPTGHMCRMLD-UHFFFAOYSA-N 0 3 172.272 0.854 20 0 ACADHN CN1CC[C@@H](N)[C@@H]1c1cncs1 76608248 573902420 /nfs/dbraw/zinc/90/24/20/573902420.db2.gz WAGKHVWHXZRBRN-HTRCEHHLSA-N 0 3 183.280 0.847 20 0 ACADHN Cc1csc(COC2CNC2)n1 87391839 573904667 /nfs/dbraw/zinc/90/46/67/573904667.db2.gz PAHSYYRPTWLKJR-UHFFFAOYSA-N 0 3 184.264 0.940 20 0 ACADHN COC(=O)N1CCC[C@H](N(C)C)C1 123055601 573909133 /nfs/dbraw/zinc/90/91/33/573909133.db2.gz VPYDMINPXDHMCZ-QMMMGPOBSA-N 0 3 186.255 0.779 20 0 ACADHN CC1(C)C[C@@H]1NCCS(C)(=O)=O 44389281 573910260 /nfs/dbraw/zinc/91/02/60/573910260.db2.gz YDXHMMSAJSMOGU-ZETCQYMHSA-N 0 3 191.296 0.419 20 0 ACADHN C[C@@H]1COC[C@@H]1NCc1ccnn1C 687967482 573913491 /nfs/dbraw/zinc/91/34/91/573913491.db2.gz RGRVZRVBLLFCKS-SCZZXKLOSA-N 0 3 195.266 0.545 20 0 ACADHN C[C@@H]1COC[C@H]1NCc1ccnn1C 687967474 573913192 /nfs/dbraw/zinc/91/31/92/573913192.db2.gz RGRVZRVBLLFCKS-PSASIEDQSA-N 0 3 195.266 0.545 20 0 ACADHN CCNCC(=O)N(C)CC(F)(F)F 44649431 573920320 /nfs/dbraw/zinc/92/03/20/573920320.db2.gz NWOCCNTVODWGCS-UHFFFAOYSA-N 0 3 198.188 0.617 20 0 ACADHN CCCN(CC)C(=O)CNCC 44646952 573920357 /nfs/dbraw/zinc/92/03/57/573920357.db2.gz FFQZMHUTQPWKFJ-UHFFFAOYSA-N 0 3 172.272 0.854 20 0 ACADHN CCNCC(=O)NCC1CCC1 44647020 573921045 /nfs/dbraw/zinc/92/10/45/573921045.db2.gz PJCOQARRRKGZMG-UHFFFAOYSA-N 0 3 170.256 0.512 20 0 ACADHN CCNCC(=O)N(C)[C@H](C)C1CC1 44647307 573922365 /nfs/dbraw/zinc/92/23/65/573922365.db2.gz AOIQEYJQSVSHRV-MRVPVSSYSA-N 0 3 184.283 0.853 20 0 ACADHN CON(C)C(=O)[C@@H]1CCCCCN1 80998881 573922446 /nfs/dbraw/zinc/92/24/46/573922446.db2.gz PZPUUGHHCGHTJB-QMMMGPOBSA-N 0 3 186.255 0.538 20 0 ACADHN CCNCC(=O)Nc1cnn(CC)c1 44647231 573923728 /nfs/dbraw/zinc/92/37/28/573923728.db2.gz NXSGUQKJCXLPAW-UHFFFAOYSA-N 0 3 196.254 0.451 20 0 ACADHN CCCN(C)C(=O)CNCC 44646966 573923751 /nfs/dbraw/zinc/92/37/51/573923751.db2.gz LNVWHOCKGNFTFR-UHFFFAOYSA-N 0 3 158.245 0.464 20 0 ACADHN CN(C)CCN(C)C(=O)C(C)(F)F 308468346 573938883 /nfs/dbraw/zinc/93/88/83/573938883.db2.gz JTICMDGLDHLTAK-UHFFFAOYSA-N 0 3 194.225 0.662 20 0 ACADHN CCCC[C@H](N)C(=O)Nc1cc[nH]n1 42414834 573946046 /nfs/dbraw/zinc/94/60/46/573946046.db2.gz CUPVFSQLTPWOCQ-ZETCQYMHSA-N 0 3 196.254 0.866 20 0 ACADHN CCCC[C@@H](N)C(=O)Nc1cc[nH]n1 42414835 573945659 /nfs/dbraw/zinc/94/56/59/573945659.db2.gz CUPVFSQLTPWOCQ-SSDOTTSWSA-N 0 3 196.254 0.866 20 0 ACADHN CCC(=O)NC[C@H]1CCCCN1C 81559626 573951155 /nfs/dbraw/zinc/95/11/55/573951155.db2.gz LSGGXCTZIKHDTC-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN COC(=O)c1c[nH]c([C@@H](C)N)n1 206112156 573959114 /nfs/dbraw/zinc/95/91/14/573959114.db2.gz NYZJDNAWXKOWDN-SCSAIBSYSA-N 0 3 169.184 0.216 20 0 ACADHN N[C@H](CCO)c1ccc(F)nc1 104457204 573989576 /nfs/dbraw/zinc/98/95/76/573989576.db2.gz SBVMSJYNKBOPDB-SSDOTTSWSA-N 0 3 170.187 0.603 20 0 ACADHN COC(=O)N1CC[C@H](N2CCCC2)C1 82254753 573993783 /nfs/dbraw/zinc/99/37/83/573993783.db2.gz KFNQCDFELQDGNC-VIFPVBQESA-N 0 3 198.266 0.923 20 0 ACADHN COC(=O)N1CC[C@@H](N2CCCC2)C1 82254754 573993913 /nfs/dbraw/zinc/99/39/13/573993913.db2.gz KFNQCDFELQDGNC-SECBINFHSA-N 0 3 198.266 0.923 20 0 ACADHN C/C=C/C(=O)N[C@@H]1CCN(C2CC2)C1 82275387 573998170 /nfs/dbraw/zinc/99/81/70/573998170.db2.gz GIYXNQGDTCCQSS-GKQMSVHHSA-N 0 3 194.278 0.915 20 0 ACADHN Cc1coc(C(=O)NCCN(C)C)c1 82303043 574004187 /nfs/dbraw/zinc/00/41/87/574004187.db2.gz YRQCANDBXFSXJL-UHFFFAOYSA-N 0 3 196.250 0.879 20 0 ACADHN C[C@H](O)[C@H]([NH3+])c1cc([O-])cc(F)c1 104486424 574004951 /nfs/dbraw/zinc/00/49/51/574004951.db2.gz WTIWATGLMYUBBD-CDUCUWFYSA-N 0 3 185.198 0.912 20 0 ACADHN C[C@@H](O)[C@H]([NH3+])c1ccc(F)c([O-])c1 104499017 574014907 /nfs/dbraw/zinc/01/49/07/574014907.db2.gz FKBNNJMJRQQBOR-ANLVUFKYSA-N 0 3 185.198 0.912 20 0 ACADHN C[C@H](O)[C@H](N)c1cc(O)ccc1F 104502177 574016836 /nfs/dbraw/zinc/01/68/36/574016836.db2.gz KSGRMAZGPPJXMG-CDUCUWFYSA-N 0 3 185.198 0.912 20 0 ACADHN C[C@@H](O)[C@@H](N)c1cc(O)ccc1F 104503219 574017701 /nfs/dbraw/zinc/01/77/01/574017701.db2.gz KSGRMAZGPPJXMG-MLUIRONXSA-N 0 3 185.198 0.912 20 0 ACADHN Cc1ccnc(NC2CNC2)n1 85256661 574021402 /nfs/dbraw/zinc/02/14/02/574021402.db2.gz ITEUGWCSUXBKCR-UHFFFAOYSA-N 0 3 164.212 0.169 20 0 ACADHN Cc1ncccc1CNC[C@@H](C)O 128226436 574038770 /nfs/dbraw/zinc/03/87/70/574038770.db2.gz UPSSJTIDXFIKBC-MRVPVSSYSA-N 0 3 180.251 0.860 20 0 ACADHN CN1CC[C@H](NCc2ccn(C)n2)C1 112837576 574041647 /nfs/dbraw/zinc/04/16/47/574041647.db2.gz IHHSGODDZSVSQE-JTQLQIEISA-N 0 3 194.282 0.214 20 0 ACADHN CC(C)(C)C(=O)NCCNCCF 1148690582 760669313 /nfs/dbraw/zinc/66/93/13/760669313.db2.gz QNAHMOLHIFDJSN-UHFFFAOYSA-N 0 3 190.262 0.708 20 0 ACADHN CN1CC[C@H]2C[N@H+](CC(=O)[O-])CC[C@H]21 1329802149 961309965 /nfs/dbraw/zinc/30/99/65/961309965.db2.gz ZOSPYYRUCZHDSJ-DTWKUNHWSA-N 0 3 198.266 0.097 20 0 ACADHN CN1CC[C@H]2C[N@@H+](CC(=O)[O-])CC[C@H]21 1329802149 961309984 /nfs/dbraw/zinc/30/99/84/961309984.db2.gz ZOSPYYRUCZHDSJ-DTWKUNHWSA-N 0 3 198.266 0.097 20 0 ACADHN C[N@@H+]1CC[C@H]2CN(CC(=O)[O-])CC[C@H]21 1329802149 961310002 /nfs/dbraw/zinc/31/00/02/961310002.db2.gz ZOSPYYRUCZHDSJ-DTWKUNHWSA-N 0 3 198.266 0.097 20 0 ACADHN C[N@H+]1CC[C@H]2CN(CC(=O)[O-])CC[C@H]21 1329802149 961310018 /nfs/dbraw/zinc/31/00/18/961310018.db2.gz ZOSPYYRUCZHDSJ-DTWKUNHWSA-N 0 3 198.266 0.097 20 0 ACADHN CN1CC[C@H]2C[N@H+](CC(=O)[O-])CC[C@@H]21 1329802153 961310326 /nfs/dbraw/zinc/31/03/26/961310326.db2.gz ZOSPYYRUCZHDSJ-IUCAKERBSA-N 0 3 198.266 0.097 20 0 ACADHN CN1CC[C@H]2C[N@@H+](CC(=O)[O-])CC[C@@H]21 1329802153 961310341 /nfs/dbraw/zinc/31/03/41/961310341.db2.gz ZOSPYYRUCZHDSJ-IUCAKERBSA-N 0 3 198.266 0.097 20 0 ACADHN C[N@@H+]1CC[C@H]2CN(CC(=O)[O-])CC[C@@H]21 1329802153 961310362 /nfs/dbraw/zinc/31/03/62/961310362.db2.gz ZOSPYYRUCZHDSJ-IUCAKERBSA-N 0 3 198.266 0.097 20 0 ACADHN C[N@H+]1CC[C@H]2CN(CC(=O)[O-])CC[C@@H]21 1329802153 961310384 /nfs/dbraw/zinc/31/03/84/961310384.db2.gz ZOSPYYRUCZHDSJ-IUCAKERBSA-N 0 3 198.266 0.097 20 0 ACADHN CN1CC[C@@H]2C[N@H+](CC(=O)[O-])CC[C@@H]21 1329802146 961310522 /nfs/dbraw/zinc/31/05/22/961310522.db2.gz ZOSPYYRUCZHDSJ-BDAKNGLRSA-N 0 3 198.266 0.097 20 0 ACADHN CN1CC[C@@H]2C[N@@H+](CC(=O)[O-])CC[C@@H]21 1329802146 961310539 /nfs/dbraw/zinc/31/05/39/961310539.db2.gz ZOSPYYRUCZHDSJ-BDAKNGLRSA-N 0 3 198.266 0.097 20 0 ACADHN C[N@@H+]1CC[C@@H]2CN(CC(=O)[O-])CC[C@@H]21 1329802146 961310559 /nfs/dbraw/zinc/31/05/59/961310559.db2.gz ZOSPYYRUCZHDSJ-BDAKNGLRSA-N 0 3 198.266 0.097 20 0 ACADHN C[N@H+]1CC[C@@H]2CN(CC(=O)[O-])CC[C@@H]21 1329802146 961310577 /nfs/dbraw/zinc/31/05/77/961310577.db2.gz ZOSPYYRUCZHDSJ-BDAKNGLRSA-N 0 3 198.266 0.097 20 0 ACADHN CN1CC[C@@H]2C[N@H+](CC(=O)[O-])CC[C@H]21 1329802156 961311044 /nfs/dbraw/zinc/31/10/44/961311044.db2.gz ZOSPYYRUCZHDSJ-RKDXNWHRSA-N 0 3 198.266 0.097 20 0 ACADHN CN1CC[C@@H]2C[N@@H+](CC(=O)[O-])CC[C@H]21 1329802156 961311062 /nfs/dbraw/zinc/31/10/62/961311062.db2.gz ZOSPYYRUCZHDSJ-RKDXNWHRSA-N 0 3 198.266 0.097 20 0 ACADHN C[N@@H+]1CC[C@@H]2CN(CC(=O)[O-])CC[C@H]21 1329802156 961311081 /nfs/dbraw/zinc/31/10/81/961311081.db2.gz ZOSPYYRUCZHDSJ-RKDXNWHRSA-N 0 3 198.266 0.097 20 0 ACADHN C[N@H+]1CC[C@@H]2CN(CC(=O)[O-])CC[C@H]21 1329802156 961311103 /nfs/dbraw/zinc/31/11/03/961311103.db2.gz ZOSPYYRUCZHDSJ-RKDXNWHRSA-N 0 3 198.266 0.097 20 0 ACADHN CC(C)[C@@](C)(CO)NCc1nc[nH]n1 1170028137 760998183 /nfs/dbraw/zinc/99/81/83/760998183.db2.gz YVPZRBCXKQHVBG-SECBINFHSA-N 0 3 198.270 0.301 20 0 ACADHN CC(C)[C@@](C)(CO)[NH2+]Cc1nnc[n-]1 1170028137 760998203 /nfs/dbraw/zinc/99/82/03/760998203.db2.gz YVPZRBCXKQHVBG-SECBINFHSA-N 0 3 198.270 0.301 20 0 ACADHN CC(C)[C@](C)(CO)NCc1nc[nH]n1 1170028138 761004448 /nfs/dbraw/zinc/00/44/48/761004448.db2.gz YVPZRBCXKQHVBG-VIFPVBQESA-N 0 3 198.270 0.301 20 0 ACADHN CC(C)[C@](C)(CO)[NH2+]Cc1nnc[n-]1 1170028138 761004463 /nfs/dbraw/zinc/00/44/63/761004463.db2.gz YVPZRBCXKQHVBG-VIFPVBQESA-N 0 3 198.270 0.301 20 0 ACADHN C[C@H]1[C@@H](O)CCN1CC1=NOCC1 1170325306 761047254 /nfs/dbraw/zinc/04/72/54/761047254.db2.gz ZDRYADLORVUWGJ-CBAPKCEASA-N 0 3 184.239 0.218 20 0 ACADHN CC1(C)C[C@@H](NC2(C(N)=O)CC2)CO1 1172266206 761093817 /nfs/dbraw/zinc/09/38/17/761093817.db2.gz HPIWNYYJOFQJKV-SSDOTTSWSA-N 0 3 198.266 0.161 20 0 ACADHN CC1(C)C[C@H](NC2(C(N)=O)CC2)CO1 1172266207 761096966 /nfs/dbraw/zinc/09/69/66/761096966.db2.gz HPIWNYYJOFQJKV-ZETCQYMHSA-N 0 3 198.266 0.161 20 0 ACADHN CCn1nnc(C)c1CN[C@H](C)CO 1177476243 761459892 /nfs/dbraw/zinc/45/98/92/761459892.db2.gz ZWFORHZEUQRSLR-SSDOTTSWSA-N 0 3 198.270 0.077 20 0 ACADHN CC[C@@H](NCc1n[nH]cc1C)[C@H](C)O 1178710169 761463943 /nfs/dbraw/zinc/46/39/43/761463943.db2.gz VPLRRUKTPPAVTE-DTWKUNHWSA-N 0 3 197.282 0.967 20 0 ACADHN CC[C@@H](NCc1n[nH]cc1C)[C@@H](C)O 1178710322 761464275 /nfs/dbraw/zinc/46/42/75/761464275.db2.gz VPLRRUKTPPAVTE-RKDXNWHRSA-N 0 3 197.282 0.967 20 0 ACADHN CC[C@H](NCc1n[nH]cc1C)[C@@H](C)O 1178710164 761464470 /nfs/dbraw/zinc/46/44/70/761464470.db2.gz VPLRRUKTPPAVTE-BDAKNGLRSA-N 0 3 197.282 0.967 20 0 ACADHN CC[C@H](NCc1n[nH]cc1C)[C@H](C)O 1178710319 761465131 /nfs/dbraw/zinc/46/51/31/761465131.db2.gz VPLRRUKTPPAVTE-IUCAKERBSA-N 0 3 197.282 0.967 20 0 ACADHN O[C@H]1C[C@@H](NCc2cccnc2)C1 1178962623 761466695 /nfs/dbraw/zinc/46/66/95/761466695.db2.gz NEUPWROQOAHYEN-AOOOYVTPSA-N 0 3 178.235 0.695 20 0 ACADHN CCn1cc(CN[C@H]2C[C@@H](O)C2)cn1 1178962890 761467836 /nfs/dbraw/zinc/46/78/36/761467836.db2.gz VDQCCBMBONIJMF-AOOOYVTPSA-N 0 3 195.266 0.516 20 0 ACADHN CO[C@H](C)CNCc1cccnc1N 1182805691 761541087 /nfs/dbraw/zinc/54/10/87/761541087.db2.gz IASJENGTDHGSCQ-MRVPVSSYSA-N 0 3 195.266 0.788 20 0 ACADHN CO[C@@H](C)CN(C)C(C)(C)C(N)=O 1194633377 761671521 /nfs/dbraw/zinc/67/15/21/761671521.db2.gz SYHMDYQGKHQCKB-ZETCQYMHSA-N 0 3 188.271 0.217 20 0 ACADHN CO[C@H](C)CN(C)C(C)(C)C(N)=O 1194633376 761673853 /nfs/dbraw/zinc/67/38/53/761673853.db2.gz SYHMDYQGKHQCKB-SSDOTTSWSA-N 0 3 188.271 0.217 20 0 ACADHN C[C@H]1[C@@H](O)CCN1Cc1cnn(C)c1 1194385189 761674158 /nfs/dbraw/zinc/67/41/58/761674158.db2.gz PUEXVILMLHTTDX-WPRPVWTQSA-N 0 3 195.266 0.375 20 0 ACADHN CNC(=O)CCN1CC[C@@H](F)C1 1194525650 761675082 /nfs/dbraw/zinc/67/50/82/761675082.db2.gz RXPFQEZDQKAEBS-SSDOTTSWSA-N 0 3 174.219 0.166 20 0 ACADHN CON1CCC(N(C)CCF)CC1 1194922496 761678512 /nfs/dbraw/zinc/67/85/12/761678512.db2.gz VUDDVYFDUOJMRW-UHFFFAOYSA-N 0 3 190.262 0.914 20 0 ACADHN Cc1ccc(CNC(C)(C)CO)nn1 1200127053 761727105 /nfs/dbraw/zinc/72/71/05/761727105.db2.gz ONHVARJZPZCDMP-UHFFFAOYSA-N 0 3 195.266 0.646 20 0 ACADHN CCc1ncc(CNC[C@@H](C)O)cn1 1201512401 761770419 /nfs/dbraw/zinc/77/04/19/761770419.db2.gz PLVNDOAENOQNRN-MRVPVSSYSA-N 0 3 195.266 0.509 20 0 ACADHN CN(C)C(=O)CN1CC2CCC1CC2 1203014287 761831574 /nfs/dbraw/zinc/83/15/74/761831574.db2.gz FYNYFWVYFGEABI-UHFFFAOYSA-N 0 3 196.294 0.949 20 0 ACADHN Cc1cc(CN2C[C@H](C)[C@@H](O)C2)n[nH]1 1203070372 761832720 /nfs/dbraw/zinc/83/27/20/761832720.db2.gz QNKMQUYNACJPED-XVKPBYJWSA-N 0 3 195.266 0.531 20 0 ACADHN Cc1cc(CN2CC[C@@](C)(O)C2)n[nH]1 1203070519 761833113 /nfs/dbraw/zinc/83/31/13/761833113.db2.gz XIVBLCASXMMDNG-SNVBAGLBSA-N 0 3 195.266 0.675 20 0 ACADHN Cc1cc(CN2C[C@H](C)[C@H](O)C2)n[nH]1 1203070371 761833164 /nfs/dbraw/zinc/83/31/64/761833164.db2.gz QNKMQUYNACJPED-OIBJUYFYSA-N 0 3 195.266 0.531 20 0 ACADHN Cc1cc(CN2CCN(C)CC2)n[nH]1 1203066895 761833449 /nfs/dbraw/zinc/83/34/49/761833449.db2.gz JOGVISYJEJTGBV-UHFFFAOYSA-N 0 3 194.282 0.466 20 0 ACADHN Cc1cc(CN2CC[C@](C)(O)C2)n[nH]1 1203070518 761834754 /nfs/dbraw/zinc/83/47/54/761834754.db2.gz XIVBLCASXMMDNG-JTQLQIEISA-N 0 3 195.266 0.675 20 0 ACADHN COC(=O)N1[C@H]2CC[C@@H]1CN(C)CC2 1213709424 762375066 /nfs/dbraw/zinc/37/50/66/762375066.db2.gz RKGHMVCEGOVDMH-DTWKUNHWSA-N 0 3 198.266 0.921 20 0 ACADHN C[C@H](C(=O)[O-])[N@@H+]1CC[C@@](C)(CN)C1 306493799 963197108 /nfs/dbraw/zinc/19/71/08/963197108.db2.gz OPFAXOWGOZOPIV-APPZFPTMSA-N 0 3 186.255 0.130 20 0 ACADHN C[C@H](C(=O)[O-])[N@H+]1CC[C@@](C)(CN)C1 306493799 963197116 /nfs/dbraw/zinc/19/71/16/963197116.db2.gz OPFAXOWGOZOPIV-APPZFPTMSA-N 0 3 186.255 0.130 20 0 ACADHN C[C@@H](C(=O)[O-])[N@@H+]1CC[C@](C)(CN)C1 306493835 963197648 /nfs/dbraw/zinc/19/76/48/963197648.db2.gz OPFAXOWGOZOPIV-IONNQARKSA-N 0 3 186.255 0.130 20 0 ACADHN C[C@@H](C(=O)[O-])[N@H+]1CC[C@](C)(CN)C1 306493835 963197653 /nfs/dbraw/zinc/19/76/53/963197653.db2.gz OPFAXOWGOZOPIV-IONNQARKSA-N 0 3 186.255 0.130 20 0 ACADHN C[C@H](C(=O)[O-])[N@@H+]1CC[C@](C)(CN)C1 306493842 963197860 /nfs/dbraw/zinc/19/78/60/963197860.db2.gz OPFAXOWGOZOPIV-VXNVDRBHSA-N 0 3 186.255 0.130 20 0 ACADHN C[C@H](C(=O)[O-])[N@H+]1CC[C@](C)(CN)C1 306493842 963197864 /nfs/dbraw/zinc/19/78/64/963197864.db2.gz OPFAXOWGOZOPIV-VXNVDRBHSA-N 0 3 186.255 0.130 20 0 ACADHN C[C@@H](C(=O)[O-])[N@H+]1CC[C@@](C)(CN)C1 306493801 963198074 /nfs/dbraw/zinc/19/80/74/963198074.db2.gz OPFAXOWGOZOPIV-CBAPKCEASA-N 0 3 186.255 0.130 20 0 ACADHN C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@](C)(CN)C1 306493801 963198067 /nfs/dbraw/zinc/19/80/67/963198067.db2.gz OPFAXOWGOZOPIV-CBAPKCEASA-N 0 3 186.255 0.130 20 0 ACADHN C[NH2+]C1CCN([C@@H](C)C(=O)[O-])CC1 307505918 963218867 /nfs/dbraw/zinc/21/88/67/963218867.db2.gz QUYYCNVPAOQKGS-ZETCQYMHSA-N 0 3 186.255 0.143 20 0 ACADHN C[NH2+]C1CCN([C@H](C)C(=O)[O-])CC1 307505917 963219172 /nfs/dbraw/zinc/21/91/72/963219172.db2.gz QUYYCNVPAOQKGS-SSDOTTSWSA-N 0 3 186.255 0.143 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1CCCC[C@H]1F 1219671360 763993608 /nfs/dbraw/zinc/99/36/08/763993608.db2.gz FAZOHJKVSMRDSQ-BWZBUEFSSA-N 0 3 188.246 0.731 20 0 ACADHN CCC(=O)N(C)C[C@H]1CCN1CC 1230556297 764518325 /nfs/dbraw/zinc/51/83/25/764518325.db2.gz HFYWKRBKODJTOT-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CCC(=O)N(C)C[C@@H]1CCN1CC 1230556298 764522665 /nfs/dbraw/zinc/52/26/65/764522665.db2.gz HFYWKRBKODJTOT-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN COc1ccnc(CNC[C@H](C)O)c1 1251969776 767097178 /nfs/dbraw/zinc/09/71/78/767097178.db2.gz QFABYZXZWOJACQ-QMMMGPOBSA-N 0 3 196.250 0.561 20 0 ACADHN C[C@H](O)CN[C@H](CO)c1cccnc1 1251975474 767101937 /nfs/dbraw/zinc/10/19/37/767101937.db2.gz QSUMYZNSKMFNJW-WCBMZHEXSA-N 0 3 196.250 0.085 20 0 ACADHN C[C@H](O)CN[C@@H](CO)c1cccnc1 1251975475 767105045 /nfs/dbraw/zinc/10/50/45/767105045.db2.gz QSUMYZNSKMFNJW-WPRPVWTQSA-N 0 3 196.250 0.085 20 0 ACADHN Cc1cc(CN(CCO)C(C)C)n[nH]1 1253967881 767280853 /nfs/dbraw/zinc/28/08/53/767280853.db2.gz DONSJWOUURFVBA-UHFFFAOYSA-N 0 3 197.282 0.921 20 0 ACADHN Cc1[nH]nc2c1CN[C@H]2C 18736126 1169057609 /nfs/dbraw/zinc/05/76/09/1169057609.db2.gz SFJYIMWSNRYJDN-YFKPBYRVSA-N 0 3 137.186 0.882 20 0 ACADHN Cc1[nH]nc2c1CN[C@@H]2C 18736128 1169059204 /nfs/dbraw/zinc/05/92/04/1169059204.db2.gz SFJYIMWSNRYJDN-RXMQYKEDSA-N 0 3 137.186 0.882 20 0 ACADHN CCCNCc1cnccn1 36947886 1169073591 /nfs/dbraw/zinc/07/35/91/1169073591.db2.gz VOOOCWAYRGRFQK-UHFFFAOYSA-N 0 3 151.213 0.976 20 0 ACADHN Cc1nnc(CNCC2CC2)n1C 35695766 1169075979 /nfs/dbraw/zinc/07/59/79/1169075979.db2.gz NNCNMUVSVFEZSE-UHFFFAOYSA-N 0 3 180.255 0.623 20 0 ACADHN CC[C@H](C)CNCc1nc[nH]n1 37919565 1169077876 /nfs/dbraw/zinc/07/78/76/1169077876.db2.gz KDPTZYOWSJTAOM-ZETCQYMHSA-N 0 3 168.244 0.940 20 0 ACADHN CC[C@@H](C)CNCc1nc[nH]n1 37919564 1169078989 /nfs/dbraw/zinc/07/89/89/1169078989.db2.gz KDPTZYOWSJTAOM-SSDOTTSWSA-N 0 3 168.244 0.940 20 0 ACADHN Cc1n[nH]cc1CNCc1cnc[nH]1 54765120 1169093992 /nfs/dbraw/zinc/09/39/92/1169093992.db2.gz IARAFXKBZLNTGH-UHFFFAOYSA-N 0 3 191.238 0.731 20 0 ACADHN Cc1ncncc1NC(=O)[C@H](C)N 82247826 1169109096 /nfs/dbraw/zinc/10/90/96/1169109096.db2.gz WSMZMQCMEWPLMU-YFKPBYRVSA-N 0 3 180.211 0.071 20 0 ACADHN CC[C@@H](N)C(=O)Nc1cncnc1C 82247675 1169109681 /nfs/dbraw/zinc/10/96/81/1169109681.db2.gz SQIJNHBJUTYNLI-SSDOTTSWSA-N 0 3 194.238 0.461 20 0 ACADHN Cc1ncncc1NC(=O)C(C)(C)N 82247554 1169109703 /nfs/dbraw/zinc/10/97/03/1169109703.db2.gz WEPDPQVKGRWDOD-UHFFFAOYSA-N 0 3 194.238 0.461 20 0 ACADHN C[C@H](Cc1cccnc1)NC(=O)CN 83887986 1169115300 /nfs/dbraw/zinc/11/53/00/1169115300.db2.gz VRAFBOSVWRLTGT-MRVPVSSYSA-N 0 3 193.250 0.088 20 0 ACADHN C[C@@H](Cc1cccnc1)NC(=O)CN 83887985 1169115812 /nfs/dbraw/zinc/11/58/12/1169115812.db2.gz VRAFBOSVWRLTGT-QMMMGPOBSA-N 0 3 193.250 0.088 20 0 ACADHN CN(Cc1nccs1)C(=O)CN 83930281 1169117216 /nfs/dbraw/zinc/11/72/16/1169117216.db2.gz CQKVODASXBMMQH-UHFFFAOYSA-N 0 3 185.252 0.060 20 0 ACADHN C/C=C/C(=O)N(C)CCN(C)C 87198196 1169124215 /nfs/dbraw/zinc/12/42/15/1169124215.db2.gz MHFPCHJQXIZWHA-AATRIKPKSA-N 0 3 170.256 0.583 20 0 ACADHN Cc1ccc(CN[C@@H]2CCOC2)nn1 306863065 673915065 /nfs/dbraw/zinc/91/50/65/673915065.db2.gz JETCDHVXBFCULO-SNVBAGLBSA-N 0 3 193.250 0.664 20 0 ACADHN CC[C@H](C)NCc1nncn1C 38007370 673917088 /nfs/dbraw/zinc/91/70/88/673917088.db2.gz XGLSLOPRXWNTEA-ZETCQYMHSA-N 0 3 168.244 0.703 20 0 ACADHN Cc1ccc(N)cc1NC(=O)[C@@H](C)N 307296837 673918446 /nfs/dbraw/zinc/91/84/46/673918446.db2.gz PBHCCNUJHVFLNP-SSDOTTSWSA-N 0 3 193.250 0.863 20 0 ACADHN CCN(CC)CC[S@](C)=O 307422058 673919719 /nfs/dbraw/zinc/91/97/19/673919719.db2.gz OOSNFXPYMUBEEL-JTQLQIEISA-N 0 3 163.286 0.707 20 0 ACADHN CCN(CC)CC[S@@](C)=O 307422060 673919885 /nfs/dbraw/zinc/91/98/85/673919885.db2.gz OOSNFXPYMUBEEL-SNVBAGLBSA-N 0 3 163.286 0.707 20 0 ACADHN COC(=O)C[C@@H](NCCF)C1CC1 308498719 673931942 /nfs/dbraw/zinc/93/19/42/673931942.db2.gz VNBVKMNQDVVPOC-MRVPVSSYSA-N 0 3 189.230 0.887 20 0 ACADHN COC(=O)C[C@H](NCCF)C1CC1 308498720 673932391 /nfs/dbraw/zinc/93/23/91/673932391.db2.gz VNBVKMNQDVVPOC-QMMMGPOBSA-N 0 3 189.230 0.887 20 0 ACADHN CCN(CCF)CCC(=O)NC 933863790 673934064 /nfs/dbraw/zinc/93/40/64/673934064.db2.gz IPYUVKSWAOZCKR-UHFFFAOYSA-N 0 3 176.235 0.414 20 0 ACADHN CSCC[C@@H](C)NC(=O)[C@H](C)N 157689659 673939664 /nfs/dbraw/zinc/93/96/64/673939664.db2.gz JGANBFKODDTSDZ-RQJHMYQMSA-N 0 3 190.312 0.591 20 0 ACADHN C[C@H](N)C(=O)N[C@H](C)C1CCC1 124138501 1169166256 /nfs/dbraw/zinc/16/62/56/1169166256.db2.gz DHTLFQZMSQCTBX-NKWVEPMBSA-N 0 3 170.256 0.638 20 0 ACADHN CC(C)[C@@H](O)CNCc1c[nH]cn1 123924110 1169166958 /nfs/dbraw/zinc/16/69/58/1169166958.db2.gz OFWWQYYFNSUHPV-VIFPVBQESA-N 0 3 183.255 0.516 20 0 ACADHN C[C@H](N)C(=O)N[C@@H](C)C1CCC1 124138231 1169167295 /nfs/dbraw/zinc/16/72/95/1169167295.db2.gz DHTLFQZMSQCTBX-BQBZGAKWSA-N 0 3 170.256 0.638 20 0 ACADHN CC(C)[C@H](O)CNCc1c[nH]cn1 123923870 1169167472 /nfs/dbraw/zinc/16/74/72/1169167472.db2.gz OFWWQYYFNSUHPV-SECBINFHSA-N 0 3 183.255 0.516 20 0 ACADHN C[C@H](NC(=O)[C@@H](C)N)C1CCC1 124109935 1169167704 /nfs/dbraw/zinc/16/77/04/1169167704.db2.gz DHTLFQZMSQCTBX-RQJHMYQMSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@H](NC(=O)CN)C1CCC1 124145649 1169168377 /nfs/dbraw/zinc/16/83/77/1169168377.db2.gz LMVYMRLJEUJXQW-LURJTMIESA-N 0 3 156.229 0.250 20 0 ACADHN C[C@@H](NC(=O)CN)C1CCC1 124145886 1169168538 /nfs/dbraw/zinc/16/85/38/1169168538.db2.gz LMVYMRLJEUJXQW-ZCFIWIBFSA-N 0 3 156.229 0.250 20 0 ACADHN C[C@@H](N)C(=O)N[C@H](C)C1CCC1 124110162 1169168562 /nfs/dbraw/zinc/16/85/62/1169168562.db2.gz DHTLFQZMSQCTBX-RNFRBKRXSA-N 0 3 170.256 0.638 20 0 ACADHN CCNC(=O)NC[C@H]1CCCCN1C 127200071 1169175728 /nfs/dbraw/zinc/17/57/28/1169175728.db2.gz KGCQDABVJYSAKQ-SECBINFHSA-N 0 3 199.298 0.790 20 0 ACADHN C[C@H](CO)N(C)Cc1ccnc(N)c1 124711316 1169170329 /nfs/dbraw/zinc/17/03/29/1169170329.db2.gz IIAAJPOCRGUCKZ-MRVPVSSYSA-N 0 3 195.266 0.476 20 0 ACADHN C[C@@H](N)c1cn([C@H]2CCOC2)nn1 125005178 1169171104 /nfs/dbraw/zinc/17/11/04/1169171104.db2.gz ABHKFJSKVQDYDW-RQJHMYQMSA-N 0 3 182.227 0.259 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H](C)c1ncc[nH]1 125120674 1169171248 /nfs/dbraw/zinc/17/12/48/1169171248.db2.gz VMYIJWVOFHCMPZ-NKWVEPMBSA-N 0 3 196.254 0.324 20 0 ACADHN C[C@H](N)c1cn([C@@H]2CCOC2)nn1 125004575 1169171451 /nfs/dbraw/zinc/17/14/51/1169171451.db2.gz ABHKFJSKVQDYDW-NKWVEPMBSA-N 0 3 182.227 0.259 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H](C)c1ncc[nH]1 125120438 1169171616 /nfs/dbraw/zinc/17/16/16/1169171616.db2.gz VMYIJWVOFHCMPZ-BQBZGAKWSA-N 0 3 196.254 0.324 20 0 ACADHN [NH3+]C1(C(=O)Nc2ncccc2[O-])CC1 125562035 1169172674 /nfs/dbraw/zinc/17/26/74/1169172674.db2.gz CUSGQINDKKKFRE-UHFFFAOYSA-N 0 3 193.206 0.217 20 0 ACADHN NC1(C(=O)Nc2ncccc2O)CC1 125562035 1169172679 /nfs/dbraw/zinc/17/26/79/1169172679.db2.gz CUSGQINDKKKFRE-UHFFFAOYSA-N 0 3 193.206 0.217 20 0 ACADHN Cc1cc(N)nc(N[C@H]2C[C@@H](O)C2)n1 894117632 673953150 /nfs/dbraw/zinc/95/31/50/673953150.db2.gz CDGZLMXJRUYSQG-KNVOCYPGSA-N 0 3 194.238 0.302 20 0 ACADHN CN(C)C(=O)NC[C@@H]1CCCCN1C 127200614 1169174280 /nfs/dbraw/zinc/17/42/80/1169174280.db2.gz MAUNICLUJKNCLH-VIFPVBQESA-N 0 3 199.298 0.742 20 0 ACADHN COC(=O)NC[C@H]1CCCCN1C 127201868 1169175324 /nfs/dbraw/zinc/17/53/24/1169175324.db2.gz KPOWGXSCQCVJES-MRVPVSSYSA-N 0 3 186.255 0.827 20 0 ACADHN CN(C)C(=O)NC[C@H]1CCCCN1C 127200340 1169175361 /nfs/dbraw/zinc/17/53/61/1169175361.db2.gz MAUNICLUJKNCLH-SECBINFHSA-N 0 3 199.298 0.742 20 0 ACADHN CCNC(=O)NC[C@@H]1CCCCN1C 127199828 1169175597 /nfs/dbraw/zinc/17/55/97/1169175597.db2.gz KGCQDABVJYSAKQ-VIFPVBQESA-N 0 3 199.298 0.790 20 0 ACADHN CC[C@@H](C(=O)N1CC2(CC2)C1)N(C)C 334840780 673955411 /nfs/dbraw/zinc/95/54/11/673955411.db2.gz CGSAPFSJWODRQN-VIFPVBQESA-N 0 3 196.294 0.949 20 0 ACADHN CC[C@H](C(=O)N1CC2(CC2)C1)N(C)C 334840778 673955539 /nfs/dbraw/zinc/95/55/39/673955539.db2.gz CGSAPFSJWODRQN-SECBINFHSA-N 0 3 196.294 0.949 20 0 ACADHN COC(=O)NC[C@@H]1CCCCN1C 127202122 1169176143 /nfs/dbraw/zinc/17/61/43/1169176143.db2.gz KPOWGXSCQCVJES-QMMMGPOBSA-N 0 3 186.255 0.827 20 0 ACADHN CN(CCF)C[C@H]1CCOC1 307689518 673956710 /nfs/dbraw/zinc/95/67/10/673956710.db2.gz NHYOHGFLSFIFDT-MRVPVSSYSA-N 0 3 161.220 0.924 20 0 ACADHN CN([C@H]1C=CCCC1)[C@@H]1COC[C@H]1O 709595406 673957066 /nfs/dbraw/zinc/95/70/66/673957066.db2.gz UWUCHJKJZQWJGX-HBNTYKKESA-N 0 3 197.278 0.787 20 0 ACADHN CN(C)CCN(C)C(=O)NC1CC1 128817698 1169178231 /nfs/dbraw/zinc/17/82/31/1169178231.db2.gz JQHUURCDBXBZBL-UHFFFAOYSA-N 0 3 185.271 0.352 20 0 ACADHN CC[C@@](C)(CO)NCc1cnnn1C 129743414 1169180763 /nfs/dbraw/zinc/18/07/63/1169180763.db2.gz QZQUGAFWVPXACC-VIFPVBQESA-N 0 3 198.270 0.066 20 0 ACADHN FCCn1cc(CNCC2CC2)nn1 130786250 1169182299 /nfs/dbraw/zinc/18/22/99/1169182299.db2.gz WSPPWLRIYFDQSH-UHFFFAOYSA-N 0 3 198.245 0.747 20 0 ACADHN CC(C)CCN1CCCNC(=O)C1 259136660 673962189 /nfs/dbraw/zinc/96/21/89/673962189.db2.gz AWBQTYNPVUNCDW-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN Cn1nncc1CNC1(C)CC1 129770275 1169183430 /nfs/dbraw/zinc/18/34/30/1169183430.db2.gz CEDQFOSEVVCRRD-UHFFFAOYSA-N 0 3 166.228 0.457 20 0 ACADHN CC[C@](C)(CO)NCc1cnnn1C 129743643 1169183876 /nfs/dbraw/zinc/18/38/76/1169183876.db2.gz QZQUGAFWVPXACC-SECBINFHSA-N 0 3 198.270 0.066 20 0 ACADHN CC[C@@H](CO)N1CCOC(C)(C)C1 929118826 673962730 /nfs/dbraw/zinc/96/27/30/673962730.db2.gz TXIWJTCZDHFCJO-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H](CO)N1CCOC(C)(C)C1 929118825 673962919 /nfs/dbraw/zinc/96/29/19/673962919.db2.gz TXIWJTCZDHFCJO-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN CCOCCNCc1c[nH]cn1 54764136 673965356 /nfs/dbraw/zinc/96/53/56/673965356.db2.gz JGTRYUITAZXKDL-UHFFFAOYSA-N 0 3 169.228 0.536 20 0 ACADHN CCOCCNCc1cnc[nH]1 54764136 673965358 /nfs/dbraw/zinc/96/53/58/673965358.db2.gz JGTRYUITAZXKDL-UHFFFAOYSA-N 0 3 169.228 0.536 20 0 ACADHN c1cn(CCNCc2c[nH]cn2)cn1 54765189 673965495 /nfs/dbraw/zinc/96/54/95/673965495.db2.gz RSRDHYLOQYUWHY-UHFFFAOYSA-N 0 3 191.238 0.396 20 0 ACADHN CC[C@@H](CO)NCc1ccnc(C)n1 54790168 673965539 /nfs/dbraw/zinc/96/55/39/673965539.db2.gz XFANKBNQTJSSRN-VIFPVBQESA-N 0 3 195.266 0.646 20 0 ACADHN CC(C)C[C@@H](O)CNCc1c[nH]cn1 163819038 673965547 /nfs/dbraw/zinc/96/55/47/673965547.db2.gz XXJPQQVPEKQVCB-SNVBAGLBSA-N 0 3 197.282 0.906 20 0 ACADHN CC[C@H](CO)NCc1ccnc(C)n1 54790169 673965613 /nfs/dbraw/zinc/96/56/13/673965613.db2.gz XFANKBNQTJSSRN-SECBINFHSA-N 0 3 195.266 0.646 20 0 ACADHN COCCOCCNCc1c[nH]cn1 54765275 673965689 /nfs/dbraw/zinc/96/56/89/673965689.db2.gz PQNCBDBUXRUAII-UHFFFAOYSA-N 0 3 199.254 0.162 20 0 ACADHN COCCOCCNCc1cnc[nH]1 54765275 673965690 /nfs/dbraw/zinc/96/56/90/673965690.db2.gz PQNCBDBUXRUAII-UHFFFAOYSA-N 0 3 199.254 0.162 20 0 ACADHN CCNC(=O)[C@@H](C)NCc1cnc[nH]1 54764128 673965821 /nfs/dbraw/zinc/96/58/21/673965821.db2.gz JVLHYLKEENNMMC-SSDOTTSWSA-N 0 3 196.254 0.024 20 0 ACADHN CCNC(=O)[C@H](C)NCc1cnc[nH]1 54764131 673965941 /nfs/dbraw/zinc/96/59/41/673965941.db2.gz JVLHYLKEENNMMC-ZETCQYMHSA-N 0 3 196.254 0.024 20 0 ACADHN c1cnn(CCNCc2c[nH]cn2)c1 54765198 673965984 /nfs/dbraw/zinc/96/59/84/673965984.db2.gz YNSDCGSBGOSTPD-UHFFFAOYSA-N 0 3 191.238 0.396 20 0 ACADHN c1cnn(CCNCc2cnc[nH]2)c1 54765198 673965987 /nfs/dbraw/zinc/96/59/87/673965987.db2.gz YNSDCGSBGOSTPD-UHFFFAOYSA-N 0 3 191.238 0.396 20 0 ACADHN CC(C)C[C@H](O)CNCc1c[nH]cn1 163818914 673966012 /nfs/dbraw/zinc/96/60/12/673966012.db2.gz XXJPQQVPEKQVCB-JTQLQIEISA-N 0 3 197.282 0.906 20 0 ACADHN CC[C@@H](N)C(=O)Nc1ccc(F)nc1 225284000 673967468 /nfs/dbraw/zinc/96/74/68/673967468.db2.gz HLMCGDYYQPFPSF-SSDOTTSWSA-N 0 3 197.213 0.897 20 0 ACADHN C[C@@H](N)c1cn(C[C@@H]2CCCO2)nn1 167109147 673967701 /nfs/dbraw/zinc/96/77/01/673967701.db2.gz VHPTVPSXDBQODG-SFYZADRCSA-N 0 3 196.254 0.477 20 0 ACADHN C[C@H](N)c1cn(C[C@H]2CCCO2)nn1 167109242 673967704 /nfs/dbraw/zinc/96/77/04/673967704.db2.gz VHPTVPSXDBQODG-JGVFFNPUSA-N 0 3 196.254 0.477 20 0 ACADHN C[C@@H](N)c1cn(CCC(C)(C)O)nn1 167095611 673967708 /nfs/dbraw/zinc/96/77/08/673967708.db2.gz MKESCORNUHFGBJ-SSDOTTSWSA-N 0 3 198.270 0.459 20 0 ACADHN CO[C@H](C)Cn1cc([C@@H](C)N)nn1 167110802 673967710 /nfs/dbraw/zinc/96/77/10/673967710.db2.gz GPBCJTJBGUXZCD-RNFRBKRXSA-N 0 3 184.243 0.333 20 0 ACADHN COCCCCn1cc([C@@H](C)N)nn1 167094471 673967714 /nfs/dbraw/zinc/96/77/14/673967714.db2.gz KDVSZVBIHQPABF-MRVPVSSYSA-N 0 3 198.270 0.724 20 0 ACADHN C[C@H](N)c1cn(CCC(C)(C)O)nn1 167095508 673967727 /nfs/dbraw/zinc/96/77/27/673967727.db2.gz MKESCORNUHFGBJ-ZETCQYMHSA-N 0 3 198.270 0.459 20 0 ACADHN C[C@@H](N)c1cn(C[C@H]2CCCO2)nn1 167109351 673967731 /nfs/dbraw/zinc/96/77/31/673967731.db2.gz VHPTVPSXDBQODG-HTQZYQBOSA-N 0 3 196.254 0.477 20 0 ACADHN COCCCCn1cc([C@H](C)N)nn1 167094364 673967748 /nfs/dbraw/zinc/96/77/48/673967748.db2.gz KDVSZVBIHQPABF-QMMMGPOBSA-N 0 3 198.270 0.724 20 0 ACADHN CO[C@@H](C)Cn1cc([C@@H](C)N)nn1 167110693 673967756 /nfs/dbraw/zinc/96/77/56/673967756.db2.gz GPBCJTJBGUXZCD-NKWVEPMBSA-N 0 3 184.243 0.333 20 0 ACADHN CO[C@H](C)Cn1cc([C@H](C)N)nn1 167111020 673967761 /nfs/dbraw/zinc/96/77/61/673967761.db2.gz GPBCJTJBGUXZCD-RQJHMYQMSA-N 0 3 184.243 0.333 20 0 ACADHN CO[C@@H](C)Cn1cc([C@H](C)N)nn1 167110912 673967766 /nfs/dbraw/zinc/96/77/66/673967766.db2.gz GPBCJTJBGUXZCD-BQBZGAKWSA-N 0 3 184.243 0.333 20 0 ACADHN Cc1cccnc1CN[C@H](C)CO 134758652 1169189750 /nfs/dbraw/zinc/18/97/50/1169189750.db2.gz VJHPLXGJOKKCSO-SECBINFHSA-N 0 3 180.251 0.860 20 0 ACADHN Cc1cccnc1CN[C@@H](C)CO 134768761 1169190352 /nfs/dbraw/zinc/19/03/52/1169190352.db2.gz VJHPLXGJOKKCSO-VIFPVBQESA-N 0 3 180.251 0.860 20 0 ACADHN O[C@@H](CN[C@@H]1CCOC1)c1ccco1 87415939 673970499 /nfs/dbraw/zinc/97/04/99/673970499.db2.gz KZZAXGHNXOXBDY-BDAKNGLRSA-N 0 3 197.234 0.692 20 0 ACADHN O[C@H](CN[C@H]1CCOC1)c1ccco1 87415940 673970508 /nfs/dbraw/zinc/97/05/08/673970508.db2.gz KZZAXGHNXOXBDY-DTWKUNHWSA-N 0 3 197.234 0.692 20 0 ACADHN O[C@@H](CN[C@H]1CCOC1)c1ccco1 87415941 673970764 /nfs/dbraw/zinc/97/07/64/673970764.db2.gz KZZAXGHNXOXBDY-IUCAKERBSA-N 0 3 197.234 0.692 20 0 ACADHN COC[C@H](CNCc1c[nH]cn1)OC 227706987 673975864 /nfs/dbraw/zinc/97/58/64/673975864.db2.gz ACQQEOSJBCMUER-VIFPVBQESA-N 0 3 199.254 0.161 20 0 ACADHN COC[C@H](CNCc1cnc[nH]1)OC 227706987 673975865 /nfs/dbraw/zinc/97/58/65/673975865.db2.gz ACQQEOSJBCMUER-VIFPVBQESA-N 0 3 199.254 0.161 20 0 ACADHN COC[C@@H](CNCc1c[nH]cn1)OC 227706982 673975870 /nfs/dbraw/zinc/97/58/70/673975870.db2.gz ACQQEOSJBCMUER-SECBINFHSA-N 0 3 199.254 0.161 20 0 ACADHN COC[C@@H](CNCc1cnc[nH]1)OC 227706982 673975871 /nfs/dbraw/zinc/97/58/71/673975871.db2.gz ACQQEOSJBCMUER-SECBINFHSA-N 0 3 199.254 0.161 20 0 ACADHN C[C@H](CO)N(C)Cc1cccnc1 158861651 673977786 /nfs/dbraw/zinc/97/77/86/673977786.db2.gz BRWPGTXVTFMLJE-SECBINFHSA-N 0 3 180.251 0.894 20 0 ACADHN Cc1oncc1CN1CC[C@H](CO)C1 700768219 673978055 /nfs/dbraw/zinc/97/80/55/673978055.db2.gz LCVOCENGFBPMCT-VIFPVBQESA-N 0 3 196.250 0.797 20 0 ACADHN Cc1oncc1CN1CC[C@@H](CO)C1 700768218 673978234 /nfs/dbraw/zinc/97/82/34/673978234.db2.gz LCVOCENGFBPMCT-SECBINFHSA-N 0 3 196.250 0.797 20 0 ACADHN CC1CC(CNCc2cnn(C)n2)C1 700820639 673978334 /nfs/dbraw/zinc/97/83/34/673978334.db2.gz QWRGGCFPBSTRLM-UHFFFAOYSA-N 0 3 194.282 0.951 20 0 ACADHN FCCOCCNCc1c[nH]cn1 702575388 673979747 /nfs/dbraw/zinc/97/97/47/673979747.db2.gz UUZJIHWYVBTQOH-UHFFFAOYSA-N 0 3 187.218 0.485 20 0 ACADHN FCCOCCNCc1cnc[nH]1 702575388 673979749 /nfs/dbraw/zinc/97/97/49/673979749.db2.gz UUZJIHWYVBTQOH-UHFFFAOYSA-N 0 3 187.218 0.485 20 0 ACADHN CO[C@@H](CN)C(=O)NCC1=CCCC1 702336082 673980103 /nfs/dbraw/zinc/98/01/03/673980103.db2.gz IIYFEDUKAAHCKB-VIFPVBQESA-N 0 3 198.266 0.187 20 0 ACADHN CONC(=O)c1cccc2c1CNC2 703021432 673981398 /nfs/dbraw/zinc/98/13/98/673981398.db2.gz BGSSENFFZLCKNV-UHFFFAOYSA-N 0 3 192.218 0.581 20 0 ACADHN O[C@@H]1CC[C@H]1NCc1ccns1 704052626 673984256 /nfs/dbraw/zinc/98/42/56/673984256.db2.gz OCSWWNKBUKKVPT-HTQZYQBOSA-N 0 3 184.264 0.756 20 0 ACADHN Cc1ncc(CN[C@@H]2CC[C@H]2O)n1C 704099194 673984258 /nfs/dbraw/zinc/98/42/58/673984258.db2.gz HRDHWFWOUNPKIJ-NXEZZACHSA-N 0 3 195.266 0.341 20 0 ACADHN CON(C)C(=O)[C@H](N)CCC(C)C 704441977 673985162 /nfs/dbraw/zinc/98/51/62/673985162.db2.gz LOLKROGSZFFDGY-MRVPVSSYSA-N 0 3 188.271 0.770 20 0 ACADHN CON(C)C(=O)[C@@H](N)CCC(C)C 704441979 673985437 /nfs/dbraw/zinc/98/54/37/673985437.db2.gz LOLKROGSZFFDGY-QMMMGPOBSA-N 0 3 188.271 0.770 20 0 ACADHN CN(CC1=CCCC1)[C@@H]1COC[C@H]1O 708621532 673990575 /nfs/dbraw/zinc/99/05/75/673990575.db2.gz CLDMODLXBBLWPH-GHMZBOCLSA-N 0 3 197.278 0.788 20 0 ACADHN CN([C@@H]1C=CCCC1)[C@@H]1COC[C@H]1O 708746625 673991437 /nfs/dbraw/zinc/99/14/37/673991437.db2.gz UWUCHJKJZQWJGX-GMTAPVOTSA-N 0 3 197.278 0.787 20 0 ACADHN C[C@@H](NCC(C)(C)O)c1cn(C)cn1 709976792 673994433 /nfs/dbraw/zinc/99/44/33/673994433.db2.gz PINSYMTZYQRDSR-MRVPVSSYSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@H](NCCN(C)C)c1cn(C)cn1 709961397 673994520 /nfs/dbraw/zinc/99/45/20/673994520.db2.gz QBANHSOQPYCIKB-VIFPVBQESA-N 0 3 196.298 0.632 20 0 ACADHN C[C@H](NCC(C)(C)O)c1cn(C)cn1 709976795 673994860 /nfs/dbraw/zinc/99/48/60/673994860.db2.gz PINSYMTZYQRDSR-QMMMGPOBSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@@H](NCCN(C)C)c1cn(C)cn1 709961396 673994934 /nfs/dbraw/zinc/99/49/34/673994934.db2.gz QBANHSOQPYCIKB-SECBINFHSA-N 0 3 196.298 0.632 20 0 ACADHN C[C@H](O)CCN[C@H](C)c1cn(C)cn1 709976687 673995098 /nfs/dbraw/zinc/99/50/98/673995098.db2.gz OBMYJERYQMDUSN-DTWKUNHWSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@@H](CCO)N[C@H](C)c1cn(C)cn1 709958841 673995153 /nfs/dbraw/zinc/99/51/53/673995153.db2.gz AIIHSCFWMXNICC-DTWKUNHWSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@@H](CCO)N[C@@H](C)c1cn(C)cn1 709958843 673995174 /nfs/dbraw/zinc/99/51/74/673995174.db2.gz AIIHSCFWMXNICC-IUCAKERBSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@H](O)CCN[C@@H](C)c1cn(C)cn1 709976688 673995262 /nfs/dbraw/zinc/99/52/62/673995262.db2.gz OBMYJERYQMDUSN-IUCAKERBSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@@H](NCCCCO)c1cn(C)cn1 709959251 673995288 /nfs/dbraw/zinc/99/52/88/673995288.db2.gz DEVTYJHLLREROV-SECBINFHSA-N 0 3 197.282 0.843 20 0 ACADHN C[C@H](CCO)N[C@H](C)c1cn(C)cn1 709958845 673995294 /nfs/dbraw/zinc/99/52/94/673995294.db2.gz AIIHSCFWMXNICC-RKDXNWHRSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@H](NCCCCO)c1cn(C)cn1 709959252 673995494 /nfs/dbraw/zinc/99/54/94/673995494.db2.gz DEVTYJHLLREROV-VIFPVBQESA-N 0 3 197.282 0.843 20 0 ACADHN C[C@H](N[C@H](C)CCO)c1cn(C)cn1 709958839 673995555 /nfs/dbraw/zinc/99/55/55/673995555.db2.gz AIIHSCFWMXNICC-BDAKNGLRSA-N 0 3 197.282 0.842 20 0 ACADHN CCN1CC[C@@H]1CNC(C)=O 710183040 673996007 /nfs/dbraw/zinc/99/60/07/673996007.db2.gz GVPAAQGHFQABNL-MRVPVSSYSA-N 0 3 156.229 0.217 20 0 ACADHN CCN1CC[C@H]1CNC(C)=O 710183616 673996850 /nfs/dbraw/zinc/99/68/50/673996850.db2.gz GVPAAQGHFQABNL-QMMMGPOBSA-N 0 3 156.229 0.217 20 0 ACADHN C[C@H]1COC[C@H]1NCc1cn[nH]c1 710890656 673997227 /nfs/dbraw/zinc/99/72/27/673997227.db2.gz OSSZWLFCNSWENT-IONNQARKSA-N 0 3 181.239 0.534 20 0 ACADHN C[C@@H]1COC[C@@H]1NCc1cnn(C)c1 710843428 673997237 /nfs/dbraw/zinc/99/72/37/673997237.db2.gz KQBHXXJUUYMZDI-SCZZXKLOSA-N 0 3 195.266 0.545 20 0 ACADHN C[C@H]1COC[C@@H]1NCc1cnn(C)c1 710843433 673997426 /nfs/dbraw/zinc/99/74/26/673997426.db2.gz KQBHXXJUUYMZDI-WPRPVWTQSA-N 0 3 195.266 0.545 20 0 ACADHN C[C@@H]1COC[C@@H]1NCc1cn[nH]c1 710890652 673997498 /nfs/dbraw/zinc/99/74/98/673997498.db2.gz OSSZWLFCNSWENT-APPZFPTMSA-N 0 3 181.239 0.534 20 0 ACADHN C[C@@H]1COC[C@H]1NCc1cnn(C)c1 710843426 673997623 /nfs/dbraw/zinc/99/76/23/673997623.db2.gz KQBHXXJUUYMZDI-PSASIEDQSA-N 0 3 195.266 0.545 20 0 ACADHN C[C@H]1COC[C@H]1NCc1cnn(C)c1 710843430 673997772 /nfs/dbraw/zinc/99/77/72/673997772.db2.gz KQBHXXJUUYMZDI-WCBMZHEXSA-N 0 3 195.266 0.545 20 0 ACADHN C[C@H](C(N)=O)N1CC[C@@H](CF)C1 711398715 673998886 /nfs/dbraw/zinc/99/88/86/673998886.db2.gz JEUNAMSWMHLLBO-RQJHMYQMSA-N 0 3 174.219 0.152 20 0 ACADHN CC[C@H](C(N)=O)N1CC[C@H](CF)C1 711398396 673998931 /nfs/dbraw/zinc/99/89/31/673998931.db2.gz FXRPQGDPEWUZEV-HTQZYQBOSA-N 0 3 188.246 0.542 20 0 ACADHN C[C@@H](C(N)=O)N1CCC[C@@H](CF)C1 711399915 673998967 /nfs/dbraw/zinc/99/89/67/673998967.db2.gz NWXWCQRIJTZPHF-YUMQZZPRSA-N 0 3 188.246 0.542 20 0 ACADHN C[C@H](C(N)=O)N1CCC[C@@H](CF)C1 711399914 673999083 /nfs/dbraw/zinc/99/90/83/673999083.db2.gz NWXWCQRIJTZPHF-SFYZADRCSA-N 0 3 188.246 0.542 20 0 ACADHN CC[C@@H](C(N)=O)N1CC[C@@H](CF)C1 711398399 673999183 /nfs/dbraw/zinc/99/91/83/673999183.db2.gz FXRPQGDPEWUZEV-YUMQZZPRSA-N 0 3 188.246 0.542 20 0 ACADHN C[C@@H](C(N)=O)N1CCC[C@H](CF)C1 711399913 673999478 /nfs/dbraw/zinc/99/94/78/673999478.db2.gz NWXWCQRIJTZPHF-JGVFFNPUSA-N 0 3 188.246 0.542 20 0 ACADHN CC[C@H](C(N)=O)N1CC[C@@H](CF)C1 711398397 673999492 /nfs/dbraw/zinc/99/94/92/673999492.db2.gz FXRPQGDPEWUZEV-JGVFFNPUSA-N 0 3 188.246 0.542 20 0 ACADHN C[C@H](C(N)=O)N1CC[C@H](CF)C1 711398713 673999496 /nfs/dbraw/zinc/99/94/96/673999496.db2.gz JEUNAMSWMHLLBO-RNFRBKRXSA-N 0 3 174.219 0.152 20 0 ACADHN CC[C@@H](C(N)=O)N1CC[C@H](CF)C1 711398398 673999528 /nfs/dbraw/zinc/99/95/28/673999528.db2.gz FXRPQGDPEWUZEV-SFYZADRCSA-N 0 3 188.246 0.542 20 0 ACADHN C[C@H](C(N)=O)N1CCC[C@H](CF)C1 711399912 673999540 /nfs/dbraw/zinc/99/95/40/673999540.db2.gz NWXWCQRIJTZPHF-HTQZYQBOSA-N 0 3 188.246 0.542 20 0 ACADHN C[C@@H](C(N)=O)N1CC[C@H](CF)C1 711398712 673999547 /nfs/dbraw/zinc/99/95/47/673999547.db2.gz JEUNAMSWMHLLBO-NKWVEPMBSA-N 0 3 174.219 0.152 20 0 ACADHN C[C@@H](C(N)=O)N1CC[C@@H](CF)C1 711398705 673999561 /nfs/dbraw/zinc/99/95/61/673999561.db2.gz JEUNAMSWMHLLBO-BQBZGAKWSA-N 0 3 174.219 0.152 20 0 ACADHN CCO[C@H]1CCN(C(=O)C2(N)CC2)C1 143842436 1169218470 /nfs/dbraw/zinc/21/84/70/1169218470.db2.gz RKMASDSOLUOMHL-QMMMGPOBSA-N 0 3 198.266 0.115 20 0 ACADHN Cn1ncnc1CNC[C@H]1C=CCC1 711750404 674002522 /nfs/dbraw/zinc/00/25/22/674002522.db2.gz OSPVVJPPJXJBID-VIFPVBQESA-N 0 3 192.266 0.871 20 0 ACADHN CN1CCN(CCOC2CC2)CC1 711750869 674002903 /nfs/dbraw/zinc/00/29/03/674002903.db2.gz AZAGNDQOPRSMHL-UHFFFAOYSA-N 0 3 184.283 0.413 20 0 ACADHN Cn1ncnc1CNC[C@@H]1C=CCC1 711750400 674002927 /nfs/dbraw/zinc/00/29/27/674002927.db2.gz OSPVVJPPJXJBID-SECBINFHSA-N 0 3 192.266 0.871 20 0 ACADHN Cn1cc(CNC[C@@H]2C=CCC2)nn1 711776311 674003406 /nfs/dbraw/zinc/00/34/06/674003406.db2.gz FLCMFECOPCAYBV-SECBINFHSA-N 0 3 192.266 0.871 20 0 ACADHN Cn1cc(CNC[C@H]2C=CCC2)nn1 711776312 674003458 /nfs/dbraw/zinc/00/34/58/674003458.db2.gz FLCMFECOPCAYBV-VIFPVBQESA-N 0 3 192.266 0.871 20 0 ACADHN Cn1ncc(CNC[C@@H]2C=CCC2)n1 711779214 674003957 /nfs/dbraw/zinc/00/39/57/674003957.db2.gz UJEKLZCEPBGZMY-SECBINFHSA-N 0 3 192.266 0.871 20 0 ACADHN Cn1ncc(CNC[C@H]2C=CCC2)n1 711779217 674003984 /nfs/dbraw/zinc/00/39/84/674003984.db2.gz UJEKLZCEPBGZMY-VIFPVBQESA-N 0 3 192.266 0.871 20 0 ACADHN CN1CC[C@H]1CNCc1ccccn1 712587264 674010987 /nfs/dbraw/zinc/01/09/87/674010987.db2.gz RMHCRCRVSGPDKP-NSHDSACASA-N 0 3 191.278 0.875 20 0 ACADHN CN1CC[C@@H]1CNCc1cn(C)cn1 712585593 674011090 /nfs/dbraw/zinc/01/10/90/674011090.db2.gz GVCOGMMUEAWDBB-SNVBAGLBSA-N 0 3 194.282 0.214 20 0 ACADHN CN1CC[C@H]1CNCc1cn(C)cn1 712585591 674011232 /nfs/dbraw/zinc/01/12/32/674011232.db2.gz GVCOGMMUEAWDBB-JTQLQIEISA-N 0 3 194.282 0.214 20 0 ACADHN CN1CC[C@@H]1CNCc1ccccn1 712587263 674011250 /nfs/dbraw/zinc/01/12/50/674011250.db2.gz RMHCRCRVSGPDKP-LLVKDONJSA-N 0 3 191.278 0.875 20 0 ACADHN CC[C@@](C)(N)C(=O)NN1CCCCC1 147359308 1169236306 /nfs/dbraw/zinc/23/63/06/1169236306.db2.gz NKCUMNYAVQYTNI-SNVBAGLBSA-N 0 3 199.298 0.631 20 0 ACADHN CC[C@](C)(N)C(=O)NN1CCCCC1 147359060 1169237530 /nfs/dbraw/zinc/23/75/30/1169237530.db2.gz NKCUMNYAVQYTNI-JTQLQIEISA-N 0 3 199.298 0.631 20 0 ACADHN CC1(C)OC[C@H](CNCCF)O1 715142659 674020358 /nfs/dbraw/zinc/02/03/58/674020358.db2.gz YIZLSMSHEQQVGY-ZETCQYMHSA-N 0 3 177.219 0.697 20 0 ACADHN Cc1cc(CN[C@H]2COC[C@H]2C)[nH]n1 716457941 674024900 /nfs/dbraw/zinc/02/49/00/674024900.db2.gz FSZXMEFFXHJIDD-XCBNKYQSSA-N 0 3 195.266 0.843 20 0 ACADHN CCCC[C@H](N)C(=O)NCC(F)F 147666636 1169239593 /nfs/dbraw/zinc/23/95/93/1169239593.db2.gz RPKXWSDELWHPCY-LURJTMIESA-N 0 3 194.225 0.885 20 0 ACADHN OCCN1C[C@@H]2[C@H](C1)C2(F)F 715543853 674022002 /nfs/dbraw/zinc/02/20/02/674022002.db2.gz WKSZLEWGCPPBQL-OLQVQODUSA-N 0 3 163.167 0.176 20 0 ACADHN OCCCN1C[C@@H]2[C@H](C1)C2(F)F 715540806 674022012 /nfs/dbraw/zinc/02/20/12/674022012.db2.gz PTJUSIPRNDVQMS-KNVOCYPGSA-N 0 3 177.194 0.566 20 0 ACADHN Cc1cc(CN[C@@H]2COC[C@H]2C)[nH]n1 716457939 674024925 /nfs/dbraw/zinc/02/49/25/674024925.db2.gz FSZXMEFFXHJIDD-GMSGAONNSA-N 0 3 195.266 0.843 20 0 ACADHN C[C@@H](O)CN1C[C@@H]2[C@H](C1)C2(F)F 715542658 674022137 /nfs/dbraw/zinc/02/21/37/674022137.db2.gz SQTQZHYJULLSMH-QYNIQEEDSA-N 0 3 177.194 0.564 20 0 ACADHN C[C@H](O)CN1C[C@@H]2[C@H](C1)C2(F)F 715542657 674022187 /nfs/dbraw/zinc/02/21/87/674022187.db2.gz SQTQZHYJULLSMH-LYFYHCNISA-N 0 3 177.194 0.564 20 0 ACADHN Cc1cc(CN[C@H]2COC[C@@H]2C)[nH]n1 716457942 674024972 /nfs/dbraw/zinc/02/49/72/674024972.db2.gz FSZXMEFFXHJIDD-XVKPBYJWSA-N 0 3 195.266 0.843 20 0 ACADHN Cc1cc(CN[C@@H]2COC[C@@H]2C)[nH]n1 716457940 674024974 /nfs/dbraw/zinc/02/49/74/674024974.db2.gz FSZXMEFFXHJIDD-OIBJUYFYSA-N 0 3 195.266 0.843 20 0 ACADHN CCCC[C@@H](N)C(=O)NCC(F)F 147666875 1169240463 /nfs/dbraw/zinc/24/04/63/1169240463.db2.gz RPKXWSDELWHPCY-ZCFIWIBFSA-N 0 3 194.225 0.885 20 0 ACADHN C[C@@H](NCC1CC1)c1cn(C)nn1 715874522 674022827 /nfs/dbraw/zinc/02/28/27/674022827.db2.gz BEEPENWBDUXTQY-SSDOTTSWSA-N 0 3 180.255 0.876 20 0 ACADHN C[C@@H](NCCN(C)C)c1cn(C)nn1 715873361 674023076 /nfs/dbraw/zinc/02/30/76/674023076.db2.gz ADKXRMHTPGXEBG-MRVPVSSYSA-N 0 3 197.286 0.027 20 0 ACADHN C[C@H](NCC1CC1)c1cn(C)nn1 715874530 674023078 /nfs/dbraw/zinc/02/30/78/674023078.db2.gz BEEPENWBDUXTQY-ZETCQYMHSA-N 0 3 180.255 0.876 20 0 ACADHN C[C@H](NCCN(C)C)c1cn(C)nn1 715873362 674023373 /nfs/dbraw/zinc/02/33/73/674023373.db2.gz ADKXRMHTPGXEBG-QMMMGPOBSA-N 0 3 197.286 0.027 20 0 ACADHN c1cc(CNCC2OCCCO2)c[nH]1 716363135 674024735 /nfs/dbraw/zinc/02/47/35/674024735.db2.gz NYDWLIUQXPFKNI-UHFFFAOYSA-N 0 3 196.250 0.867 20 0 ACADHN COC[C@@](C)(CO)NC/C=C\Cl 716884038 674026080 /nfs/dbraw/zinc/02/60/80/674026080.db2.gz HDXUEKPQJNKZMN-TUUFMJSCSA-N 0 3 193.674 0.726 20 0 ACADHN COC[C@](C)(CO)NC/C=C\Cl 716884039 674026140 /nfs/dbraw/zinc/02/61/40/674026140.db2.gz HDXUEKPQJNKZMN-VEMNSZJBSA-N 0 3 193.674 0.726 20 0 ACADHN C=C=CCNC(=O)CN(CC)CC 816701323 674029324 /nfs/dbraw/zinc/02/93/24/674029324.db2.gz PFNDVUZGFLZQEV-UHFFFAOYSA-N 0 3 182.267 0.786 20 0 ACADHN Cc1cc(CN[C@@H](C)CO)[nH]n1 157344412 1169258394 /nfs/dbraw/zinc/25/83/94/1169258394.db2.gz MPXGIANYXYUORU-ZETCQYMHSA-N 0 3 169.228 0.189 20 0 ACADHN Cc1cc(CN[C@H](C)CO)[nH]n1 157344557 1169258765 /nfs/dbraw/zinc/25/87/65/1169258765.db2.gz MPXGIANYXYUORU-SSDOTTSWSA-N 0 3 169.228 0.189 20 0 ACADHN Cc1cc(CNCCCO)[nH]n1 157060786 1169259204 /nfs/dbraw/zinc/25/92/04/1169259204.db2.gz OIDIOZCCKMGKBG-UHFFFAOYSA-N 0 3 169.228 0.190 20 0 ACADHN COC(=O)N(C)[C@H]1CCCN(C)C1 126103477 674042401 /nfs/dbraw/zinc/04/24/01/674042401.db2.gz ZHMFIMVKGFXPJP-QMMMGPOBSA-N 0 3 186.255 0.779 20 0 ACADHN CCO[C@@H]1C[C@](N)(C(N)=O)C1(C)C 162520924 1169263707 /nfs/dbraw/zinc/26/37/07/1169263707.db2.gz LCGWLHMOQYCKBE-MUWHJKNJSA-N 0 3 186.255 0.004 20 0 ACADHN NC1(C(=O)Nc2cccc(F)n2)CC1 162477643 1169263998 /nfs/dbraw/zinc/26/39/98/1169263998.db2.gz PFXNCACQJUFSEH-UHFFFAOYSA-N 0 3 195.197 0.651 20 0 ACADHN CCN(CC)CC1OCCO1 37629760 674045299 /nfs/dbraw/zinc/04/52/99/674045299.db2.gz NLOUBGQMMANFSD-UHFFFAOYSA-N 0 3 159.229 0.701 20 0 ACADHN CCO[C@@H]1C[C@@](N)(C(N)=O)C1(C)C 162521179 1169264437 /nfs/dbraw/zinc/26/44/37/1169264437.db2.gz LCGWLHMOQYCKBE-HZGVNTEJSA-N 0 3 186.255 0.004 20 0 ACADHN CCO[C@H]1C[C@](N)(C(N)=O)C1(C)C 162521053 1169264477 /nfs/dbraw/zinc/26/44/77/1169264477.db2.gz LCGWLHMOQYCKBE-RCOVLWMOSA-N 0 3 186.255 0.004 20 0 ACADHN N[C@@H](CC1CC1)C(=O)N1CCCCN1 884379611 674045984 /nfs/dbraw/zinc/04/59/84/674045984.db2.gz DTWVDWVBHCVEDB-VIFPVBQESA-N 0 3 197.282 0.241 20 0 ACADHN N[C@H](CC1CC1)C(=O)N1CCCCN1 884379610 674046071 /nfs/dbraw/zinc/04/60/71/674046071.db2.gz DTWVDWVBHCVEDB-SECBINFHSA-N 0 3 197.282 0.241 20 0 ACADHN CCO[C@H]1C[C@@](N)(C(N)=O)C1(C)C 162521288 1169266522 /nfs/dbraw/zinc/26/65/22/1169266522.db2.gz LCGWLHMOQYCKBE-IMTBSYHQSA-N 0 3 186.255 0.004 20 0 ACADHN C[C@H](NC(=O)C1(N)CC1)C1CCC1 163287796 1169267096 /nfs/dbraw/zinc/26/70/96/1169267096.db2.gz YYHYWSLONWPIGG-ZETCQYMHSA-N 0 3 182.267 0.783 20 0 ACADHN C[C@H]1CN([C@H](C)[C@H](C)O)C[C@@H](C)O1 163219101 1169267864 /nfs/dbraw/zinc/26/78/64/1169267864.db2.gz CMQRDXPIDDGNNJ-RGOKHQFPSA-N 0 3 187.283 0.865 20 0 ACADHN C[C@@H](NC(=O)C1(N)CC1)C1CCC1 163287886 1169267978 /nfs/dbraw/zinc/26/79/78/1169267978.db2.gz YYHYWSLONWPIGG-SSDOTTSWSA-N 0 3 182.267 0.783 20 0 ACADHN C[C@H]1CN([C@@H](C)[C@H](C)O)C[C@@H](C)O1 163218979 1169268167 /nfs/dbraw/zinc/26/81/67/1169268167.db2.gz CMQRDXPIDDGNNJ-JXUBOQSCSA-N 0 3 187.283 0.865 20 0 ACADHN C[C@H]1CN([C@H](C)[C@@H](C)O)C[C@@H](C)O1 163218851 1169268655 /nfs/dbraw/zinc/26/86/55/1169268655.db2.gz CMQRDXPIDDGNNJ-UTINFBMNSA-N 0 3 187.283 0.865 20 0 ACADHN C[C@@H](N)C(=O)N(C)CCCF 164303476 1169269264 /nfs/dbraw/zinc/26/92/64/1169269264.db2.gz NLZOSKLLISLWPJ-ZCFIWIBFSA-N 0 3 162.208 0.152 20 0 ACADHN CSCCn1cc([C@@H](C)N)nn1 125006641 674052320 /nfs/dbraw/zinc/05/23/20/674052320.db2.gz JMRUPAHNCFSFLO-ZCFIWIBFSA-N 0 3 186.284 0.661 20 0 ACADHN CSCCn1cc([C@H](C)N)nn1 125006411 674052341 /nfs/dbraw/zinc/05/23/41/674052341.db2.gz JMRUPAHNCFSFLO-LURJTMIESA-N 0 3 186.284 0.661 20 0 ACADHN C[C@H](N)C(=O)N(C)CCCF 164303348 1169271752 /nfs/dbraw/zinc/27/17/52/1169271752.db2.gz NLZOSKLLISLWPJ-LURJTMIESA-N 0 3 162.208 0.152 20 0 ACADHN CC[C@H](CO)N1CC[C@H](F)C1 930603256 674054719 /nfs/dbraw/zinc/05/47/19/674054719.db2.gz KBFWKIZVCFCIBL-JGVFFNPUSA-N 0 3 161.220 0.801 20 0 ACADHN CC[C@@H](CO)N1CC[C@H](F)C1 930603258 674054991 /nfs/dbraw/zinc/05/49/91/674054991.db2.gz KBFWKIZVCFCIBL-YUMQZZPRSA-N 0 3 161.220 0.801 20 0 ACADHN CC[C@@H](CO)N1CC[C@@H](F)C1 930603257 674055006 /nfs/dbraw/zinc/05/50/06/674055006.db2.gz KBFWKIZVCFCIBL-SFYZADRCSA-N 0 3 161.220 0.801 20 0 ACADHN CC[C@H](CO)N1CC[C@@H](F)C1 930603255 674055294 /nfs/dbraw/zinc/05/52/94/674055294.db2.gz KBFWKIZVCFCIBL-HTQZYQBOSA-N 0 3 161.220 0.801 20 0 ACADHN Cc1nnc(CNC[C@H]2C[C@H]2C)n1C 166986094 1169279061 /nfs/dbraw/zinc/27/90/61/1169279061.db2.gz WGQSBHONYGKMGN-VXNVDRBHSA-N 0 3 194.282 0.869 20 0 ACADHN Cc1nnc(CNC[C@@H]2C[C@@H]2C)n1C 166985771 1169280171 /nfs/dbraw/zinc/28/01/71/1169280171.db2.gz WGQSBHONYGKMGN-CBAPKCEASA-N 0 3 194.282 0.869 20 0 ACADHN Cc1nnc(CNC[C@H]2C[C@@H]2C)n1C 166985880 1169280644 /nfs/dbraw/zinc/28/06/44/1169280644.db2.gz WGQSBHONYGKMGN-IONNQARKSA-N 0 3 194.282 0.869 20 0 ACADHN Cc1nnc(CNC[C@@H]2C[C@H]2C)n1C 166985981 1169280793 /nfs/dbraw/zinc/28/07/93/1169280793.db2.gz WGQSBHONYGKMGN-APPZFPTMSA-N 0 3 194.282 0.869 20 0 ACADHN C[C@H](O)CCn1cc([C@H](C)N)nn1 167105194 1169281103 /nfs/dbraw/zinc/28/11/03/1169281103.db2.gz IMTMPGOZYQQUBP-BQBZGAKWSA-N 0 3 184.243 0.069 20 0 ACADHN C[C@H](N)c1cn(CCCCCO)nn1 167098060 1169281187 /nfs/dbraw/zinc/28/11/87/1169281187.db2.gz FUFGOQDLXQOZFP-QMMMGPOBSA-N 0 3 198.270 0.460 20 0 ACADHN C[C@H](N)c1cn(CC(C)(C)O)nn1 167099195 1169281399 /nfs/dbraw/zinc/28/13/99/1169281399.db2.gz BBXHXFKRNSGHJF-LURJTMIESA-N 0 3 184.243 0.069 20 0 ACADHN C[C@H](N)c1cn(CC[C@@H](C)O)nn1 167105297 1169281445 /nfs/dbraw/zinc/28/14/45/1169281445.db2.gz IMTMPGOZYQQUBP-RQJHMYQMSA-N 0 3 184.243 0.069 20 0 ACADHN C[C@@H](N)c1cn(Cc2ccno2)nn1 167123413 1169281500 /nfs/dbraw/zinc/28/15/00/1169281500.db2.gz IZHSPWXAHZZRAF-ZCFIWIBFSA-N 0 3 193.210 0.334 20 0 ACADHN C[C@H](N)c1cn(C[C@H]2CCOC2)nn1 167115357 1169281943 /nfs/dbraw/zinc/28/19/43/1169281943.db2.gz MZDDQERBNHRAKW-JGVFFNPUSA-N 0 3 196.254 0.334 20 0 ACADHN C[C@H](N)c1cn([C@@H]2CCC[C@@H]2O)nn1 167113691 1169281998 /nfs/dbraw/zinc/28/19/98/1169281998.db2.gz PKIBWLJEDISWJJ-ZQARSLAVSA-N 0 3 196.254 0.384 20 0 ACADHN C[C@@H](N)c1cn(CCCCO)nn1 167138230 1169282337 /nfs/dbraw/zinc/28/23/37/1169282337.db2.gz GORZDIRETCYWDZ-SSDOTTSWSA-N 0 3 184.243 0.070 20 0 ACADHN C[C@H](N)c1cn(C2CCOCC2)nn1 167097620 1169282579 /nfs/dbraw/zinc/28/25/79/1169282579.db2.gz ZHUWWAFPWOTRSP-ZETCQYMHSA-N 0 3 196.254 0.649 20 0 ACADHN CC(=O)CN1[C@H]2CC[C@@H]1CN(C)CC2 718901960 674063591 /nfs/dbraw/zinc/06/35/91/674063591.db2.gz WFOOZAPNCYTWPV-WDEREUQCSA-N 0 3 196.294 0.744 20 0 ACADHN COC(=O)N1[C@H]2CC[C@@H]1CCN(C)C2 718872967 674063598 /nfs/dbraw/zinc/06/35/98/674063598.db2.gz RKGHMVCEGOVDMH-BDAKNGLRSA-N 0 3 198.266 0.921 20 0 ACADHN CC[C@@H](O)Cn1cc([C@@H](C)N)nn1 167137601 1169282700 /nfs/dbraw/zinc/28/27/00/1169282700.db2.gz AQTDKBRVXDGWEX-RNFRBKRXSA-N 0 3 184.243 0.069 20 0 ACADHN C[C@@H](N)c1cn(C[C@@H]2CCOC2)nn1 167115253 1169282719 /nfs/dbraw/zinc/28/27/19/1169282719.db2.gz MZDDQERBNHRAKW-SFYZADRCSA-N 0 3 196.254 0.334 20 0 ACADHN C[C@H](O)CCn1cc([C@@H](C)N)nn1 167105039 1169282797 /nfs/dbraw/zinc/28/27/97/1169282797.db2.gz IMTMPGOZYQQUBP-NKWVEPMBSA-N 0 3 184.243 0.069 20 0 ACADHN CC[C@H](O)Cn1cc([C@H](C)N)nn1 167137703 1169282852 /nfs/dbraw/zinc/28/28/52/1169282852.db2.gz AQTDKBRVXDGWEX-BQBZGAKWSA-N 0 3 184.243 0.069 20 0 ACADHN CC(C)[C@H](C)NCc1nncn1C 38007487 674063972 /nfs/dbraw/zinc/06/39/72/674063972.db2.gz WSWPYLUIHPCVPC-QMMMGPOBSA-N 0 3 182.271 0.949 20 0 ACADHN CC[C@H](O)Cn1cc([C@@H](C)N)nn1 167137494 1169283039 /nfs/dbraw/zinc/28/30/39/1169283039.db2.gz AQTDKBRVXDGWEX-RQJHMYQMSA-N 0 3 184.243 0.069 20 0 ACADHN C[C@H](N)c1cn(CCCCO)nn1 167138129 1169283316 /nfs/dbraw/zinc/28/33/16/1169283316.db2.gz GORZDIRETCYWDZ-ZETCQYMHSA-N 0 3 184.243 0.070 20 0 ACADHN CC[C@@H](C)CNCc1nncn1C 38007688 674064347 /nfs/dbraw/zinc/06/43/47/674064347.db2.gz UEXOYVGFXKEFJU-MRVPVSSYSA-N 0 3 182.271 0.951 20 0 ACADHN CC[C@H](C)CNCc1nncn1C 38007689 674064378 /nfs/dbraw/zinc/06/43/78/674064378.db2.gz UEXOYVGFXKEFJU-QMMMGPOBSA-N 0 3 182.271 0.951 20 0 ACADHN C[C@@H](N)c1cn(C[C@H]2CCOC2)nn1 167115461 1169283553 /nfs/dbraw/zinc/28/35/53/1169283553.db2.gz MZDDQERBNHRAKW-HTQZYQBOSA-N 0 3 196.254 0.334 20 0 ACADHN CC(C)[C@@H](C)NCc1nncn1C 38007486 674064515 /nfs/dbraw/zinc/06/45/15/674064515.db2.gz WSWPYLUIHPCVPC-MRVPVSSYSA-N 0 3 182.271 0.949 20 0 ACADHN C[C@H](N)c1cn([C@H]2CCC[C@@H]2O)nn1 167113873 1169283607 /nfs/dbraw/zinc/28/36/07/1169283607.db2.gz PKIBWLJEDISWJJ-XVYDVKMFSA-N 0 3 196.254 0.384 20 0 ACADHN CC[C@@H](C)NCc1nncn1C 38007369 674064735 /nfs/dbraw/zinc/06/47/35/674064735.db2.gz XGLSLOPRXWNTEA-SSDOTTSWSA-N 0 3 168.244 0.703 20 0 ACADHN C[C@@H](N)c1cn(C2CCOCC2)nn1 167097727 1169283749 /nfs/dbraw/zinc/28/37/49/1169283749.db2.gz ZHUWWAFPWOTRSP-SSDOTTSWSA-N 0 3 196.254 0.649 20 0 ACADHN CC[C@@H](O)Cn1cc([C@H](C)N)nn1 167137800 1169283783 /nfs/dbraw/zinc/28/37/83/1169283783.db2.gz AQTDKBRVXDGWEX-NKWVEPMBSA-N 0 3 184.243 0.069 20 0 ACADHN C[C@H](N)c1cn(C[C@@H]2CCOC2)nn1 167115157 1169284096 /nfs/dbraw/zinc/28/40/96/1169284096.db2.gz MZDDQERBNHRAKW-YUMQZZPRSA-N 0 3 196.254 0.334 20 0 ACADHN C[C@H](N)c1cn(Cc2ccno2)nn1 167123313 1169284337 /nfs/dbraw/zinc/28/43/37/1169284337.db2.gz IZHSPWXAHZZRAF-LURJTMIESA-N 0 3 193.210 0.334 20 0 ACADHN C[C@@H](O)CCn1cc([C@@H](C)N)nn1 167105102 1169284357 /nfs/dbraw/zinc/28/43/57/1169284357.db2.gz IMTMPGOZYQQUBP-RNFRBKRXSA-N 0 3 184.243 0.069 20 0 ACADHN C[C@@H](N)c1cn(CC(C)(C)O)nn1 167099309 1169284392 /nfs/dbraw/zinc/28/43/92/1169284392.db2.gz BBXHXFKRNSGHJF-ZCFIWIBFSA-N 0 3 184.243 0.069 20 0 ACADHN C[C@@H](N)c1cn(CCCCCO)nn1 167098151 1169284431 /nfs/dbraw/zinc/28/44/31/1169284431.db2.gz FUFGOQDLXQOZFP-MRVPVSSYSA-N 0 3 198.270 0.460 20 0 ACADHN C[C@]1(CO)CCCN1CCF 306414491 674072173 /nfs/dbraw/zinc/07/21/73/674072173.db2.gz OJCPPMJBBLVQMI-MRVPVSSYSA-N 0 3 161.220 0.803 20 0 ACADHN C[C@@]1(C(N)=O)CCN(CCF)C1 306374440 674072827 /nfs/dbraw/zinc/07/28/27/674072827.db2.gz LHRQUDTWSIKYAJ-MRVPVSSYSA-N 0 3 174.219 0.153 20 0 ACADHN C[C@]1(C(N)=O)CCN(CCF)C1 306374441 674072879 /nfs/dbraw/zinc/07/28/79/674072879.db2.gz LHRQUDTWSIKYAJ-QMMMGPOBSA-N 0 3 174.219 0.153 20 0 ACADHN C[C@@]1(CO)CCCN1CCF 306414492 674073104 /nfs/dbraw/zinc/07/31/04/674073104.db2.gz OJCPPMJBBLVQMI-QMMMGPOBSA-N 0 3 161.220 0.803 20 0 ACADHN CN(CCF)[C@@H]1CCC[C@H]1O 306507738 674073736 /nfs/dbraw/zinc/07/37/36/674073736.db2.gz YZADQOLHVURICD-HTQZYQBOSA-N 0 3 161.220 0.801 20 0 ACADHN O[C@H]1C[C@H](CNCc2cc[nH]n2)C1 720918074 674074548 /nfs/dbraw/zinc/07/45/48/674074548.db2.gz GBRGHFOGBZBPGT-XWEPSHTISA-N 0 3 181.239 0.270 20 0 ACADHN Cn1ccc(CNC[C@H]2C[C@H](O)C2)n1 720908007 674075107 /nfs/dbraw/zinc/07/51/07/674075107.db2.gz STSYBLPVKRIZHM-CZMCAQCFSA-N 0 3 195.266 0.281 20 0 ACADHN CC(=O)N1CC[C@@H](NCCF)C1 965981995 674076549 /nfs/dbraw/zinc/07/65/49/674076549.db2.gz QLMQETDDQIXOPJ-MRVPVSSYSA-N 0 3 174.219 0.166 20 0 ACADHN CC(=O)NC[C@H]1CCN1C(C)C 1037989877 674076552 /nfs/dbraw/zinc/07/65/52/674076552.db2.gz FMJFQUJJIRGMJL-SECBINFHSA-N 0 3 170.256 0.605 20 0 ACADHN CC(=O)NC[C@@H]1CCN1C(C)C 1037989878 674076574 /nfs/dbraw/zinc/07/65/74/674076574.db2.gz FMJFQUJJIRGMJL-VIFPVBQESA-N 0 3 170.256 0.605 20 0 ACADHN CC(C)N1CC[C@H]1CNC(=O)C1CC1 1037997800 674076826 /nfs/dbraw/zinc/07/68/26/674076826.db2.gz SLJZBWMSDHWPIN-JTQLQIEISA-N 0 3 196.294 0.995 20 0 ACADHN CCCCN1CC[C@H]1CNC(C)=O 1037980444 674077061 /nfs/dbraw/zinc/07/70/61/674077061.db2.gz MBCMXZQWHDDJLV-JTQLQIEISA-N 0 3 184.283 0.997 20 0 ACADHN CCCN1CC[C@@H]1CNC(=O)C1CC1 1037995386 674077159 /nfs/dbraw/zinc/07/71/59/674077159.db2.gz BVLYBKABFIEDDM-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CCCN1CC[C@H]1CNC(=O)C1CC1 1037995385 674077164 /nfs/dbraw/zinc/07/71/64/674077164.db2.gz BVLYBKABFIEDDM-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN CC(=O)NC[C@H]1CCN1CC1CC1 1037985535 674077188 /nfs/dbraw/zinc/07/71/88/674077188.db2.gz JAMYMENXGKSYEX-SNVBAGLBSA-N 0 3 182.267 0.607 20 0 ACADHN CCCN1CC[C@@H]1CNC(C)=O 1037991068 674077199 /nfs/dbraw/zinc/07/71/99/674077199.db2.gz KGHKGOHJRODUMG-SECBINFHSA-N 0 3 170.256 0.607 20 0 ACADHN CCCCN1CC[C@@H]1CNC(C)=O 1037980446 674077227 /nfs/dbraw/zinc/07/72/27/674077227.db2.gz MBCMXZQWHDDJLV-SNVBAGLBSA-N 0 3 184.283 0.997 20 0 ACADHN CC(=O)NC[C@@H]1CCN1CC1CC1 1037985532 674077257 /nfs/dbraw/zinc/07/72/57/674077257.db2.gz JAMYMENXGKSYEX-JTQLQIEISA-N 0 3 182.267 0.607 20 0 ACADHN CCC(=O)N1CC[C@@H](NCCF)C1 965965334 674077321 /nfs/dbraw/zinc/07/73/21/674077321.db2.gz VLIPRUSIQUPFBF-MRVPVSSYSA-N 0 3 188.246 0.556 20 0 ACADHN CC(C)N1CC[C@@H]1CNC(=O)C1CC1 1037997807 674077347 /nfs/dbraw/zinc/07/73/47/674077347.db2.gz SLJZBWMSDHWPIN-SNVBAGLBSA-N 0 3 196.294 0.995 20 0 ACADHN CCCN1CC[C@H]1CNC(C)=O 1037991069 674077415 /nfs/dbraw/zinc/07/74/15/674077415.db2.gz KGHKGOHJRODUMG-VIFPVBQESA-N 0 3 170.256 0.607 20 0 ACADHN CC(=O)N1C[C@H](C)[C@@H](NCCF)C1 1054303656 674082011 /nfs/dbraw/zinc/08/20/11/674082011.db2.gz QCGWMNRGPHYXJH-CBAPKCEASA-N 0 3 188.246 0.412 20 0 ACADHN CC(=O)N1C[C@@H](C)[C@@H](NCCF)C1 1054303655 674082034 /nfs/dbraw/zinc/08/20/34/674082034.db2.gz QCGWMNRGPHYXJH-APPZFPTMSA-N 0 3 188.246 0.412 20 0 ACADHN CC(=O)N1C[C@@H](NCCF)[C@H](C)C1 1054303658 674082132 /nfs/dbraw/zinc/08/21/32/674082132.db2.gz QCGWMNRGPHYXJH-VXNVDRBHSA-N 0 3 188.246 0.412 20 0 ACADHN CC(=O)N1C[C@H](C)[C@H](NCCF)C1 1054303657 674082168 /nfs/dbraw/zinc/08/21/68/674082168.db2.gz QCGWMNRGPHYXJH-IONNQARKSA-N 0 3 188.246 0.412 20 0 ACADHN C/C=C\C(=O)N[C@H]1CCN(C2CC2)C1 211205493 1169327621 /nfs/dbraw/zinc/32/76/21/1169327621.db2.gz GIYXNQGDTCCQSS-XADBCAIWSA-N 0 3 194.278 0.915 20 0 ACADHN C/C=C\C(=O)N[C@@H]1CCN(C2CC2)C1 211205436 1169328285 /nfs/dbraw/zinc/32/82/85/1169328285.db2.gz GIYXNQGDTCCQSS-PKRMOACSSA-N 0 3 194.278 0.915 20 0 ACADHN C[C@H](NC(=O)[C@@H](C)N)c1cnccn1 211783627 1169331034 /nfs/dbraw/zinc/33/10/34/1169331034.db2.gz HZMRDLPQBUPAKG-RQJHMYQMSA-N 0 3 194.238 0.001 20 0 ACADHN CN(C)C(=O)OCCN1CCCC1 213342337 1169334373 /nfs/dbraw/zinc/33/43/73/1169334373.db2.gz RDFLWBZUPRPUCB-UHFFFAOYSA-N 0 3 186.255 0.780 20 0 ACADHN C[C@@H]1NCCN(C(=O)NC2CC2)[C@H]1C 219600304 1169344977 /nfs/dbraw/zinc/34/49/77/1169344977.db2.gz MTPKRCVWIBGJOV-YUMQZZPRSA-N 0 3 197.282 0.541 20 0 ACADHN C[C@H]1NCCN(C(=O)NC2CC2)[C@@H]1C 219600376 1169346468 /nfs/dbraw/zinc/34/64/68/1169346468.db2.gz MTPKRCVWIBGJOV-HTQZYQBOSA-N 0 3 197.282 0.541 20 0 ACADHN C[C@H]1[C@@H](C)NCCN1C(=O)NC1CC1 219600229 1169346763 /nfs/dbraw/zinc/34/67/63/1169346763.db2.gz MTPKRCVWIBGJOV-SFYZADRCSA-N 0 3 197.282 0.541 20 0 ACADHN C[C@@H]1NCCN(C(=O)NC2CC2)[C@@H]1C 219600456 1169346786 /nfs/dbraw/zinc/34/67/86/1169346786.db2.gz MTPKRCVWIBGJOV-JGVFFNPUSA-N 0 3 197.282 0.541 20 0 ACADHN Cc1ccnc(N2CC(N(C)C)C2)n1 222759050 1169356451 /nfs/dbraw/zinc/35/64/51/1169356451.db2.gz KSINLBLHTRGFLU-UHFFFAOYSA-N 0 3 192.266 0.535 20 0 ACADHN CCC(=O)CNC(=O)[C@@H](N)C(C)C 221986319 1169356631 /nfs/dbraw/zinc/35/66/31/1169356631.db2.gz NKBKAMFVKSKYNL-QMMMGPOBSA-N 0 3 186.255 0.065 20 0 ACADHN c1nc(CNC[C@H]2CCSC2)n[nH]1 224391778 1169365393 /nfs/dbraw/zinc/36/53/93/1169365393.db2.gz UWTLPFACLHLQSM-SSDOTTSWSA-N 0 3 198.295 0.647 20 0 ACADHN c1nc(CNC[C@@H]2CCSC2)n[nH]1 224391736 1169365666 /nfs/dbraw/zinc/36/56/66/1169365666.db2.gz UWTLPFACLHLQSM-ZETCQYMHSA-N 0 3 198.295 0.647 20 0 ACADHN CCN1CC(CNC(C)=O)C1 224582064 1169365838 /nfs/dbraw/zinc/36/58/38/1169365838.db2.gz DOPOXHZKJCTMEK-UHFFFAOYSA-N 0 3 156.229 0.074 20 0 ACADHN CC(C)OCCCCNC(=O)CN 225297581 1169367903 /nfs/dbraw/zinc/36/79/03/1169367903.db2.gz AZWOFWXBCPTXPU-UHFFFAOYSA-N 0 3 188.271 0.267 20 0 ACADHN CC[C@@](C)(CCO)NC(=O)[C@@H](C)N 228738333 1169380521 /nfs/dbraw/zinc/38/05/21/1169380521.db2.gz SBQIJSBJMHSDPD-APPZFPTMSA-N 0 3 188.271 0.001 20 0 ACADHN Cn1cc(CNCCCCCO)nn1 228732987 1169381144 /nfs/dbraw/zinc/38/11/44/1169381144.db2.gz VKVPECSJKWZZCW-UHFFFAOYSA-N 0 3 198.270 0.067 20 0 ACADHN C[C@H](O)CCCNCc1cnnn1C 227958989 1169382737 /nfs/dbraw/zinc/38/27/37/1169382737.db2.gz LWIPIIHRANFQDL-QMMMGPOBSA-N 0 3 198.270 0.066 20 0 ACADHN CC[C@](C)(CCO)NC(=O)[C@@H](C)N 228738343 1169384252 /nfs/dbraw/zinc/38/42/52/1169384252.db2.gz SBQIJSBJMHSDPD-VXNVDRBHSA-N 0 3 188.271 0.001 20 0 ACADHN C[C@@H](NCc1nc[nH]n1)[C@@H]1CCOC1 229633404 1169391017 /nfs/dbraw/zinc/39/10/17/1169391017.db2.gz JVUJTNDHZXFESY-HTQZYQBOSA-N 0 3 196.254 0.319 20 0 ACADHN C[C@@H](NCc1nc[nH]n1)[C@H]1CCOC1 229633422 1169391419 /nfs/dbraw/zinc/39/14/19/1169391419.db2.gz JVUJTNDHZXFESY-SFYZADRCSA-N 0 3 196.254 0.319 20 0 ACADHN C[C@H](NCc1nc[nH]n1)[C@@H]1CCOC1 229633414 1169391775 /nfs/dbraw/zinc/39/17/75/1169391775.db2.gz JVUJTNDHZXFESY-JGVFFNPUSA-N 0 3 196.254 0.319 20 0 ACADHN C[C@H](NCc1nc[nH]n1)[C@H]1CCOC1 229633431 1169392002 /nfs/dbraw/zinc/39/20/02/1169392002.db2.gz JVUJTNDHZXFESY-YUMQZZPRSA-N 0 3 196.254 0.319 20 0 ACADHN CN1CCC[C@@H](NCc2ccno2)C1 231883070 1169406101 /nfs/dbraw/zinc/40/61/01/1169406101.db2.gz NSEWYJZJSISPNH-SECBINFHSA-N 0 3 195.266 0.858 20 0 ACADHN CN1CCC[C@H](NCc2ccno2)C1 231883073 1169407010 /nfs/dbraw/zinc/40/70/10/1169407010.db2.gz NSEWYJZJSISPNH-VIFPVBQESA-N 0 3 195.266 0.858 20 0 ACADHN CCC(C)(C)CNC(=O)CN 232895450 1169408781 /nfs/dbraw/zinc/40/87/81/1169408781.db2.gz DDHVXXCNQYHGEW-UHFFFAOYSA-N 0 3 158.245 0.498 20 0 ACADHN CCC(C)(C)CNC(=O)[C@H](C)N 232943059 1169409004 /nfs/dbraw/zinc/40/90/04/1169409004.db2.gz NGMAZHGVBRYVMV-ZETCQYMHSA-N 0 3 172.272 0.886 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1CCO[C@H]1C1CC1 235155944 1169415232 /nfs/dbraw/zinc/41/52/32/1169415232.db2.gz TWQVJAOUJQRWHI-VDAHYXPESA-N 0 3 198.266 0.017 20 0 ACADHN C[C@H](N)c1cn([C@H]2CCC[C@H]2O)nn1 253156911 1169436002 /nfs/dbraw/zinc/43/60/02/1169436002.db2.gz PKIBWLJEDISWJJ-CNUIFLNQSA-N 0 3 196.254 0.384 20 0 ACADHN C[C@H](N)c1cn([C@@H]2CCC[C@H]2O)nn1 253156912 1169437488 /nfs/dbraw/zinc/43/74/88/1169437488.db2.gz PKIBWLJEDISWJJ-NBEYISGCSA-N 0 3 196.254 0.384 20 0 ACADHN CCNCc1cnnn1CC 300736095 1169461311 /nfs/dbraw/zinc/46/13/11/1169461311.db2.gz LERZMTWOXQFOAT-UHFFFAOYSA-N 0 3 154.217 0.408 20 0 ACADHN CC(C)(N)c1nc([C@@H]2CCCN2)no1 306236649 1169468084 /nfs/dbraw/zinc/46/80/84/1169468084.db2.gz FCCBJFRASFZSGH-LURJTMIESA-N 0 3 196.254 0.688 20 0 ACADHN CC(C)(N)c1nc([C@H]2CCCN2)no1 306236650 1169468161 /nfs/dbraw/zinc/46/81/61/1169468161.db2.gz FCCBJFRASFZSGH-ZCFIWIBFSA-N 0 3 196.254 0.688 20 0 ACADHN NC1(C(=O)N2CC(C(F)F)C2)CC1 306366133 1169474202 /nfs/dbraw/zinc/47/42/02/1169474202.db2.gz CVJZEUNGCWNBOC-UHFFFAOYSA-N 0 3 190.193 0.201 20 0 ACADHN CNC1(C(=O)Nc2cc[nH]n2)CCC1 306383042 1169477659 /nfs/dbraw/zinc/47/76/59/1169477659.db2.gz XXKVNSXVHRPZGN-UHFFFAOYSA-N 0 3 194.238 0.490 20 0 ACADHN Cc1cc(NC(=O)[C@@H](C)N)c[nH]c1=O 306415202 1169478553 /nfs/dbraw/zinc/47/85/53/1169478553.db2.gz PMXLQDJLFYCUME-ZCFIWIBFSA-N 0 3 195.222 0.381 20 0 ACADHN CCc1onc(C)c1NC(=O)[C@@H](C)N 306669451 1169486022 /nfs/dbraw/zinc/48/60/22/1169486022.db2.gz LCEAQOACEOQRQN-RXMQYKEDSA-N 0 3 197.238 0.831 20 0 ACADHN C[C@@H]1CSC[C@H]1NCc1nc[nH]n1 306689244 1169486913 /nfs/dbraw/zinc/48/69/13/1169486913.db2.gz NVHPKUWZWWTODT-RNFRBKRXSA-N 0 3 198.295 0.646 20 0 ACADHN C[C@H]1CSC[C@@H]1NCc1nc[nH]n1 306689242 1169487059 /nfs/dbraw/zinc/48/70/59/1169487059.db2.gz NVHPKUWZWWTODT-BQBZGAKWSA-N 0 3 198.295 0.646 20 0 ACADHN C[C@H]1CSC[C@H]1NCc1nc[nH]n1 306689243 1169487369 /nfs/dbraw/zinc/48/73/69/1169487369.db2.gz NVHPKUWZWWTODT-NKWVEPMBSA-N 0 3 198.295 0.646 20 0 ACADHN CCc1onc(C)c1NC(=O)[C@H](C)N 306669452 1169487459 /nfs/dbraw/zinc/48/74/59/1169487459.db2.gz LCEAQOACEOQRQN-YFKPBYRVSA-N 0 3 197.238 0.831 20 0 ACADHN C[C@@H]1CSC[C@@H]1NCc1nc[nH]n1 306689245 1169487569 /nfs/dbraw/zinc/48/75/69/1169487569.db2.gz NVHPKUWZWWTODT-RQJHMYQMSA-N 0 3 198.295 0.646 20 0 ACADHN C1CN[C@@H](c2noc([C@H]3CCN3)n2)C1 306956640 1169495375 /nfs/dbraw/zinc/49/53/75/1169495375.db2.gz RWBHTKSBLWAHIR-RNFRBKRXSA-N 0 3 194.238 0.529 20 0 ACADHN C1CN[C@H](c2noc([C@H]3CCN3)n2)C1 306956639 1169496555 /nfs/dbraw/zinc/49/65/55/1169496555.db2.gz RWBHTKSBLWAHIR-NKWVEPMBSA-N 0 3 194.238 0.529 20 0 ACADHN NC1(C(=O)N[C@H]2CCCOCC2)CC1 307211213 1169508223 /nfs/dbraw/zinc/50/82/23/1169508223.db2.gz SHYKUTMFTNSAOG-QMMMGPOBSA-N 0 3 198.266 0.163 20 0 ACADHN NC1(C(=O)N[C@@H]2CCCOCC2)CC1 307211212 1169508266 /nfs/dbraw/zinc/50/82/66/1169508266.db2.gz SHYKUTMFTNSAOG-MRVPVSSYSA-N 0 3 198.266 0.163 20 0 ACADHN Nc1ncc(CN[C@@H]2CC[C@H]2O)s1 307224840 1169510170 /nfs/dbraw/zinc/51/01/70/1169510170.db2.gz BXVUCPZOEXJSIJ-RNFRBKRXSA-N 0 3 199.279 0.338 20 0 ACADHN CO[N-]C(=O)C[C@H]1CC[C@@H]([NH3+])C1 307374855 1169516321 /nfs/dbraw/zinc/51/63/21/1169516321.db2.gz UKUZWGKSQJEWJT-NKWVEPMBSA-N 0 3 172.228 0.182 20 0 ACADHN CCc1onc(C)c1NC(=O)CNC 307366425 1169517232 /nfs/dbraw/zinc/51/72/32/1169517232.db2.gz KQKQFUWPSZVDSZ-UHFFFAOYSA-N 0 3 197.238 0.703 20 0 ACADHN C[C@H](N)c1cn(Cc2ncc[nH]2)nn1 307413573 1169519509 /nfs/dbraw/zinc/51/95/09/1169519509.db2.gz IOHXUWDIJFSPAB-LURJTMIESA-N 0 3 192.226 0.069 20 0 ACADHN C[C@H]1[C@@H](CO)CCN1CCF 307571835 1169528601 /nfs/dbraw/zinc/52/86/01/1169528601.db2.gz FEWDKRBGIWMODP-JGVFFNPUSA-N 0 3 161.220 0.659 20 0 ACADHN C[C@H]1[C@H](CO)CCN1CCF 307571837 1169528735 /nfs/dbraw/zinc/52/87/35/1169528735.db2.gz FEWDKRBGIWMODP-YUMQZZPRSA-N 0 3 161.220 0.659 20 0 ACADHN C[C@@H]1[C@H](CO)CCN1CCF 307571836 1169529223 /nfs/dbraw/zinc/52/92/23/1169529223.db2.gz FEWDKRBGIWMODP-SFYZADRCSA-N 0 3 161.220 0.659 20 0 ACADHN C[C@@H]1[C@@H](CO)CCN1CCF 307571834 1169529463 /nfs/dbraw/zinc/52/94/63/1169529463.db2.gz FEWDKRBGIWMODP-HTQZYQBOSA-N 0 3 161.220 0.659 20 0 ACADHN CN1C[C@@H](CN(C)C2CC2)OC1=O 307622786 1169533265 /nfs/dbraw/zinc/53/32/65/1169533265.db2.gz HDGGUVBCEOEPJE-MRVPVSSYSA-N 0 3 184.239 0.531 20 0 ACADHN CN1C[C@H](CN(C)C2CC2)OC1=O 307622788 1169533582 /nfs/dbraw/zinc/53/35/82/1169533582.db2.gz HDGGUVBCEOEPJE-QMMMGPOBSA-N 0 3 184.239 0.531 20 0 ACADHN CC[C@@H]1C[C@H]1CNC(=O)CN 307646128 1169533993 /nfs/dbraw/zinc/53/39/93/1169533993.db2.gz BECYBKPYOZSWDP-RQJHMYQMSA-N 0 3 156.229 0.107 20 0 ACADHN CCNC(=O)[C@H](N)CC(F)F 307656832 1169535375 /nfs/dbraw/zinc/53/53/75/1169535375.db2.gz QYEIIABHNPFMMM-SCSAIBSYSA-N 0 3 166.171 0.105 20 0 ACADHN CCNC(=O)[C@@H](N)CC(F)F 307656831 1169535580 /nfs/dbraw/zinc/53/55/80/1169535580.db2.gz QYEIIABHNPFMMM-BYPYZUCNSA-N 0 3 166.171 0.105 20 0 ACADHN Nc1ncc(CN[C@H]2CCOC2)s1 307696681 1169536836 /nfs/dbraw/zinc/53/68/36/1169536836.db2.gz DVYPUXKVCYHYLY-LURJTMIESA-N 0 3 199.279 0.604 20 0 ACADHN Cc1nocc1CNC(=O)C1(N)CC1 307718706 1169540139 /nfs/dbraw/zinc/54/01/39/1169540139.db2.gz PSELWNJTNOTIAH-UHFFFAOYSA-N 0 3 195.222 0.091 20 0 ACADHN C[C@H](NC1(C)CC1)c1ccc(=O)[nH]n1 307746137 1169542080 /nfs/dbraw/zinc/54/20/80/1169542080.db2.gz UNEYVDGEEULCMU-ZETCQYMHSA-N 0 3 193.250 0.973 20 0 ACADHN C[C@@H](NC1(C)CC1)c1ccc(=O)[nH]n1 307746136 1169543028 /nfs/dbraw/zinc/54/30/28/1169543028.db2.gz UNEYVDGEEULCMU-SSDOTTSWSA-N 0 3 193.250 0.973 20 0 ACADHN CC(=O)NCCCNCc1ncc[nH]1 308542568 1169551539 /nfs/dbraw/zinc/55/15/39/1169551539.db2.gz UZZBMSKUHHRMBB-UHFFFAOYSA-N 0 3 196.254 0.026 20 0 ACADHN CC[C@@H](O)CCNCc1cc(C)n[nH]1 308597416 1169551551 /nfs/dbraw/zinc/55/15/51/1169551551.db2.gz NASXUFITXLYGAI-SNVBAGLBSA-N 0 3 197.282 0.969 20 0 ACADHN CC[C@H](O)CCNCc1cc(C)n[nH]1 308597415 1169551602 /nfs/dbraw/zinc/55/16/02/1169551602.db2.gz NASXUFITXLYGAI-JTQLQIEISA-N 0 3 197.282 0.969 20 0 ACADHN CCCC[C@H](N)C(=O)Nc1nc[nH]n1 309022538 1169552509 /nfs/dbraw/zinc/55/25/09/1169552509.db2.gz YCRQXGQNSFWUEJ-LURJTMIESA-N 0 3 197.242 0.261 20 0 ACADHN C[C@@H](N)C(=O)N(C)Cc1cccn1C 309012122 1169553158 /nfs/dbraw/zinc/55/31/58/1169553158.db2.gz SFWLASINUDGCOY-MRVPVSSYSA-N 0 3 195.266 0.331 20 0 ACADHN CC(C)N(C)CC(=O)N1CC2(CC2)C1 334858970 1169560235 /nfs/dbraw/zinc/56/02/35/1169560235.db2.gz GDQBHLLYQLBZBK-UHFFFAOYSA-N 0 3 196.294 0.949 20 0 ACADHN CCC(=O)CCN(C)CCO 379226162 1169565264 /nfs/dbraw/zinc/56/52/64/1169565264.db2.gz MJCMHEKBUWEATR-UHFFFAOYSA-N 0 3 159.229 0.280 20 0 ACADHN C[C@@H](N)C(=O)NCCC(C)(F)F 379274139 1169565623 /nfs/dbraw/zinc/56/56/23/1169565623.db2.gz XWZWEUFVJFDKKW-RXMQYKEDSA-N 0 3 180.198 0.495 20 0 ACADHN CC1(NC(=O)[C@@H](N)CC(F)F)CC1 379345457 1169572294 /nfs/dbraw/zinc/57/22/94/1169572294.db2.gz TUCHCIWZQGMYNH-YFKPBYRVSA-N 0 3 192.209 0.638 20 0 ACADHN CC1(NC(=O)[C@H](N)CC(F)F)CC1 379345456 1169572903 /nfs/dbraw/zinc/57/29/03/1169572903.db2.gz TUCHCIWZQGMYNH-RXMQYKEDSA-N 0 3 192.209 0.638 20 0 ACADHN CC1(NC(=O)[C@H](N)CC2CC2)CC1 379363691 1169575650 /nfs/dbraw/zinc/57/56/50/1169575650.db2.gz GPGNHCGIOWCAIY-MRVPVSSYSA-N 0 3 182.267 0.783 20 0 ACADHN Cn1cnc(CNCCCCO)c1 379409503 1169581884 /nfs/dbraw/zinc/58/18/84/1169581884.db2.gz DDAJOPXFICGRHT-UHFFFAOYSA-N 0 3 183.255 0.282 20 0 ACADHN COCCN(C)CCN(C)C(C)=O 379405002 1169584018 /nfs/dbraw/zinc/58/40/18/1169584018.db2.gz SHSMTJPOBBDDPC-UHFFFAOYSA-N 0 3 188.271 0.043 20 0 ACADHN COCCN[C@@H](C)c1ccc(=O)[nH]n1 379597150 1169588181 /nfs/dbraw/zinc/58/81/81/1169588181.db2.gz GFKAXGZGQQZJAF-ZETCQYMHSA-N 0 3 197.238 0.479 20 0 ACADHN COCCN[C@H](C)c1ccc(=O)[nH]n1 379597147 1169588236 /nfs/dbraw/zinc/58/82/36/1169588236.db2.gz GFKAXGZGQQZJAF-SSDOTTSWSA-N 0 3 197.238 0.479 20 0 ACADHN CN(C)c1ncccc1CNCCO 379571440 1169588842 /nfs/dbraw/zinc/58/88/42/1169588842.db2.gz HJGVSGWWSAGCGL-UHFFFAOYSA-N 0 3 195.266 0.230 20 0 ACADHN CCCC[C@@H](N)C(=O)N1C[C@H]2C[C@H]2C1 379574299 1169589580 /nfs/dbraw/zinc/58/95/80/1169589580.db2.gz XZWVRUZOVNCMGK-KXUCPTDWSA-N 0 3 196.294 0.982 20 0 ACADHN CCCC[C@H](N)C(=O)N1C[C@H]2C[C@H]2C1 379574296 1169590513 /nfs/dbraw/zinc/59/05/13/1169590513.db2.gz XZWVRUZOVNCMGK-AEJSXWLSSA-N 0 3 196.294 0.982 20 0 ACADHN Cc1cc(CNC[C@H](O)C(C)C)[nH]n1 379636711 1169591931 /nfs/dbraw/zinc/59/19/31/1169591931.db2.gz RLQUKIBWFNCSPG-JTQLQIEISA-N 0 3 197.282 0.825 20 0 ACADHN C[C@H](O)CN[C@@H](C)c1ccc(=O)[nH]n1 379652281 1169592371 /nfs/dbraw/zinc/59/23/71/1169592371.db2.gz GNLZVIMGAQSNIT-BQBZGAKWSA-N 0 3 197.238 0.214 20 0 ACADHN C[C@H](O)CCCn1cc([C@@H](C)N)nn1 379629776 1169592673 /nfs/dbraw/zinc/59/26/73/1169592673.db2.gz MIHWOLVHWJCUCH-JGVFFNPUSA-N 0 3 198.270 0.459 20 0 ACADHN C[C@H](O)CN[C@H](C)c1ccc(=O)[nH]n1 379652282 1169593171 /nfs/dbraw/zinc/59/31/71/1169593171.db2.gz GNLZVIMGAQSNIT-NKWVEPMBSA-N 0 3 197.238 0.214 20 0 ACADHN Cc1cc(CNC[C@@H](O)C(C)C)[nH]n1 379636721 1169593279 /nfs/dbraw/zinc/59/32/79/1169593279.db2.gz RLQUKIBWFNCSPG-SNVBAGLBSA-N 0 3 197.282 0.825 20 0 ACADHN C[C@@H](O)CCCn1cc([C@@H](C)N)nn1 379629775 1169593448 /nfs/dbraw/zinc/59/34/48/1169593448.db2.gz MIHWOLVHWJCUCH-HTQZYQBOSA-N 0 3 198.270 0.459 20 0 ACADHN C[C@@H](CCCO)CNCc1cc[nH]n1 384704767 1169607886 /nfs/dbraw/zinc/60/78/86/1169607886.db2.gz LAHATJQMSXNDDZ-VIFPVBQESA-N 0 3 197.282 0.908 20 0 ACADHN C[C@H](CCCO)CNCc1cc[nH]n1 384704766 1169608573 /nfs/dbraw/zinc/60/85/73/1169608573.db2.gz LAHATJQMSXNDDZ-SECBINFHSA-N 0 3 197.282 0.908 20 0 ACADHN CC(C)C[C@@H]1C[C@H]1NC(=O)CN 385284890 1169610538 /nfs/dbraw/zinc/61/05/38/1169610538.db2.gz HKXRGZBWMDHETL-HTQZYQBOSA-N 0 3 170.256 0.496 20 0 ACADHN CC(C)C[C@@H]1C[C@H]1NC(=O)[C@H](C)N 385137258 1169611395 /nfs/dbraw/zinc/61/13/95/1169611395.db2.gz BADXTDYIZPKLQK-DJLDLDEBSA-N 0 3 184.283 0.884 20 0 ACADHN CCN(CCC1CC1)C(=O)CN 385556191 1169612234 /nfs/dbraw/zinc/61/22/34/1169612234.db2.gz KPWGLNATZQMHHX-UHFFFAOYSA-N 0 3 170.256 0.594 20 0 ACADHN CC(C)N(CC(F)F)C(=O)[C@@H](C)N 386195445 1169612364 /nfs/dbraw/zinc/61/23/64/1169612364.db2.gz JBSAJPXTMHJPPO-ZCFIWIBFSA-N 0 3 194.225 0.836 20 0 ACADHN CC[C@H](NCc1cn(C)cn1)[C@@H](C)O 386939217 1169615928 /nfs/dbraw/zinc/61/59/28/1169615928.db2.gz VJEMTQIZNWFOSG-SCZZXKLOSA-N 0 3 197.282 0.669 20 0 ACADHN CC[C@@H](NCc1cn(C)cn1)[C@@H](C)O 386939216 1169615972 /nfs/dbraw/zinc/61/59/72/1169615972.db2.gz VJEMTQIZNWFOSG-PSASIEDQSA-N 0 3 197.282 0.669 20 0 ACADHN CC[C@H](NCc1cn(C)cn1)[C@H](C)O 386939220 1169617207 /nfs/dbraw/zinc/61/72/07/1169617207.db2.gz VJEMTQIZNWFOSG-WPRPVWTQSA-N 0 3 197.282 0.669 20 0 ACADHN CC[C@@H](NCc1cn(C)cn1)[C@H](C)O 386939219 1169617316 /nfs/dbraw/zinc/61/73/16/1169617316.db2.gz VJEMTQIZNWFOSG-WCBMZHEXSA-N 0 3 197.282 0.669 20 0 ACADHN CC[C@@H](N)C(=O)NC[C@@H]1C[C@H]1CC 387946233 1169618587 /nfs/dbraw/zinc/61/85/87/1169618587.db2.gz BBTYNSPHCLNAMJ-HRDYMLBCSA-N 0 3 184.283 0.886 20 0 ACADHN CC[C@@H]1C[C@H]1CNC(=O)[C@@H](C)N 387947202 1169618892 /nfs/dbraw/zinc/61/88/92/1169618892.db2.gz BELICFHKKCSASA-PRJMDXOYSA-N 0 3 170.256 0.496 20 0 ACADHN CC[C@@H]1C[C@H]1CNC(=O)[C@H](C)N 387947249 1169619249 /nfs/dbraw/zinc/61/92/49/1169619249.db2.gz BELICFHKKCSASA-RNJXMRFFSA-N 0 3 170.256 0.496 20 0 ACADHN CC[C@@H]1C[C@H]1CNC(=O)C1(N)CC1 387970650 1169619347 /nfs/dbraw/zinc/61/93/47/1169619347.db2.gz FZYPNXPVPATSBH-SFYZADRCSA-N 0 3 182.267 0.640 20 0 ACADHN CC[C@H](N)C(=O)NC[C@@H]1C[C@H]1CC 387946238 1169620431 /nfs/dbraw/zinc/62/04/31/1169620431.db2.gz BBTYNSPHCLNAMJ-VGMNWLOBSA-N 0 3 184.283 0.886 20 0 ACADHN Cc1cc(CNC(C)(C)CO)[nH]n1 388259689 1169623473 /nfs/dbraw/zinc/62/34/73/1169623473.db2.gz AWJJVJJMJRQKHA-UHFFFAOYSA-N 0 3 183.255 0.579 20 0 ACADHN CCOCCNCc1cc(C)n[nH]1 388280185 1169623786 /nfs/dbraw/zinc/62/37/86/1169623786.db2.gz LVPTXKFYYDIAAW-UHFFFAOYSA-N 0 3 183.255 0.844 20 0 ACADHN CCOCCNCc1cc(C)[nH]n1 388280185 1169623793 /nfs/dbraw/zinc/62/37/93/1169623793.db2.gz LVPTXKFYYDIAAW-UHFFFAOYSA-N 0 3 183.255 0.844 20 0 ACADHN N[C@H](CC(F)F)C(=O)NC1CC1 388402280 1169625078 /nfs/dbraw/zinc/62/50/78/1169625078.db2.gz PBCMHWQNHGCKPP-RXMQYKEDSA-N 0 3 178.182 0.248 20 0 ACADHN N[C@@H](CC(F)F)C(=O)NC1CC1 388402287 1169625365 /nfs/dbraw/zinc/62/53/65/1169625365.db2.gz PBCMHWQNHGCKPP-YFKPBYRVSA-N 0 3 178.182 0.248 20 0 ACADHN CCCC[C@@H](N)C(=O)N1CCC1 388476633 1169627924 /nfs/dbraw/zinc/62/79/24/1169627924.db2.gz RNEVYCLUWTWVQN-MRVPVSSYSA-N 0 3 170.256 0.736 20 0 ACADHN CO[C@@H](C)CNCc1cc(C)n[nH]1 388738687 1169633126 /nfs/dbraw/zinc/63/31/26/1169633126.db2.gz XHBIXXVDISMAFF-QMMMGPOBSA-N 0 3 183.255 0.843 20 0 ACADHN CO[C@H](C)CNCc1cc(C)n[nH]1 388738686 1169634069 /nfs/dbraw/zinc/63/40/69/1169634069.db2.gz XHBIXXVDISMAFF-MRVPVSSYSA-N 0 3 183.255 0.843 20 0 ACADHN C[C@@H](O)CN[C@H](C)c1ccc(=O)[nH]n1 388815300 1169635042 /nfs/dbraw/zinc/63/50/42/1169635042.db2.gz GNLZVIMGAQSNIT-RNFRBKRXSA-N 0 3 197.238 0.214 20 0 ACADHN C[C@H](NC[C@@H](C)O)c1ccc(=O)[nH]n1 388815302 1169635184 /nfs/dbraw/zinc/63/51/84/1169635184.db2.gz GNLZVIMGAQSNIT-RQJHMYQMSA-N 0 3 197.238 0.214 20 0 ACADHN COC[C@H](C)N[C@@H](C)c1n[nH]c(C)n1 392464711 1169641961 /nfs/dbraw/zinc/64/19/61/1169641961.db2.gz NHJUHKPBJANJQS-BQBZGAKWSA-N 0 3 198.270 0.799 20 0 ACADHN COC[C@H](C)N[C@H](C)c1n[nH]c(C)n1 392464712 1169642338 /nfs/dbraw/zinc/64/23/38/1169642338.db2.gz NHJUHKPBJANJQS-NKWVEPMBSA-N 0 3 198.270 0.799 20 0 ACADHN COC[C@@H](C)N[C@@H](C)c1n[nH]c(C)n1 392464714 1169642366 /nfs/dbraw/zinc/64/23/66/1169642366.db2.gz NHJUHKPBJANJQS-RQJHMYQMSA-N 0 3 198.270 0.799 20 0 ACADHN COC[C@@H](C)N[C@H](C)c1n[nH]c(C)n1 392464713 1169642498 /nfs/dbraw/zinc/64/24/98/1169642498.db2.gz NHJUHKPBJANJQS-RNFRBKRXSA-N 0 3 198.270 0.799 20 0 ACADHN CCC1(CNCc2ncc[nH]2)COC1 393993733 1169648279 /nfs/dbraw/zinc/64/82/79/1169648279.db2.gz ZNXXINQOBSCNTE-UHFFFAOYSA-N 0 3 195.266 0.926 20 0 ACADHN CN(CC(N)=O)CC1CC(F)(F)C1 394725622 1169650672 /nfs/dbraw/zinc/65/06/72/1169650672.db2.gz DZQUHYUPNXKIEH-UHFFFAOYSA-N 0 3 192.209 0.449 20 0 ACADHN Cc1cc(CN[C@H](C)[C@@H](C)O)n(C)n1 395697905 1169651910 /nfs/dbraw/zinc/65/19/10/1169651910.db2.gz FMEHIAPWQCPPRU-RKDXNWHRSA-N 0 3 197.282 0.587 20 0 ACADHN CC[C@H](NCc1cnnn1C)[C@@H](C)O 395631180 1169652063 /nfs/dbraw/zinc/65/20/63/1169652063.db2.gz CKQLEOBGISFAMQ-APPZFPTMSA-N 0 3 198.270 0.064 20 0 ACADHN CC[C@@H](NCc1cnnn1C)[C@H](C)O 395631182 1169652468 /nfs/dbraw/zinc/65/24/68/1169652468.db2.gz CKQLEOBGISFAMQ-IONNQARKSA-N 0 3 198.270 0.064 20 0 ACADHN Cc1cc(CN[C@H](C)[C@H](C)O)n(C)n1 395697900 1169653082 /nfs/dbraw/zinc/65/30/82/1169653082.db2.gz FMEHIAPWQCPPRU-BDAKNGLRSA-N 0 3 197.282 0.587 20 0 ACADHN Cc1cc(CN[C@@H](C)[C@H](C)O)n(C)n1 395697903 1169653446 /nfs/dbraw/zinc/65/34/46/1169653446.db2.gz FMEHIAPWQCPPRU-IUCAKERBSA-N 0 3 197.282 0.587 20 0 ACADHN Cc1cc(CN[C@@H](C)[C@@H](C)O)n(C)n1 395697902 1169653609 /nfs/dbraw/zinc/65/36/09/1169653609.db2.gz FMEHIAPWQCPPRU-DTWKUNHWSA-N 0 3 197.282 0.587 20 0 ACADHN CC[C@@H](NCc1cnnn1C)[C@@H](C)O 395631184 1169653657 /nfs/dbraw/zinc/65/36/57/1169653657.db2.gz CKQLEOBGISFAMQ-VXNVDRBHSA-N 0 3 198.270 0.064 20 0 ACADHN C[C@H](CCCO)CNCc1ncc[nH]1 395043154 1169653705 /nfs/dbraw/zinc/65/37/05/1169653705.db2.gz DYSCFGCTUSHTCD-SECBINFHSA-N 0 3 197.282 0.908 20 0 ACADHN CC[C@H](NCc1cnnn1C)[C@H](C)O 395631181 1169654396 /nfs/dbraw/zinc/65/43/96/1169654396.db2.gz CKQLEOBGISFAMQ-CBAPKCEASA-N 0 3 198.270 0.064 20 0 ACADHN C[C@@H](CCCO)CNCc1ncc[nH]1 395043155 1169654476 /nfs/dbraw/zinc/65/44/76/1169654476.db2.gz DYSCFGCTUSHTCD-VIFPVBQESA-N 0 3 197.282 0.908 20 0 ACADHN CCC(C)(C)NC(=O)OC1CNC1 395956511 1169657242 /nfs/dbraw/zinc/65/72/42/1169657242.db2.gz BCRIKJJIOPTYCX-UHFFFAOYSA-N 0 3 186.255 0.873 20 0 ACADHN C[C@@H](CCCCO)NC(=O)[C@H](C)N 398578533 1169665196 /nfs/dbraw/zinc/66/51/96/1169665196.db2.gz KPXWNIIPTPWZNS-YUMQZZPRSA-N 0 3 188.271 0.001 20 0 ACADHN C[C@H](N)C(=O)N[C@H](C)CCCCO 398578532 1169667785 /nfs/dbraw/zinc/66/77/85/1169667785.db2.gz KPXWNIIPTPWZNS-SFYZADRCSA-N 0 3 188.271 0.001 20 0 ACADHN CC[C@H](C)C[C@@H](N)C(=O)N(C)OC 400862079 1169676146 /nfs/dbraw/zinc/67/61/46/1169676146.db2.gz CYTGQWBBIKDUNB-JGVFFNPUSA-N 0 3 188.271 0.770 20 0 ACADHN CC[C@H](C)C[C@H](N)C(=O)N(C)OC 400862081 1169676701 /nfs/dbraw/zinc/67/67/01/1169676701.db2.gz CYTGQWBBIKDUNB-YUMQZZPRSA-N 0 3 188.271 0.770 20 0 ACADHN CC[C@@H](C)C[C@@H](N)C(=O)N(C)OC 400862078 1169676733 /nfs/dbraw/zinc/67/67/33/1169676733.db2.gz CYTGQWBBIKDUNB-HTQZYQBOSA-N 0 3 188.271 0.770 20 0 ACADHN CC[C@@H](C)C[C@H](N)C(=O)N(C)OC 400862080 1169677023 /nfs/dbraw/zinc/67/70/23/1169677023.db2.gz CYTGQWBBIKDUNB-SFYZADRCSA-N 0 3 188.271 0.770 20 0 ACADHN CCON(CC)C(=O)[C@@H](C)N 401428323 1169678297 /nfs/dbraw/zinc/67/82/97/1169678297.db2.gz VAEDTDOZLITMFT-ZCFIWIBFSA-N 0 3 160.217 0.134 20 0 ACADHN C[C@@H](N)C(=O)N(C)Cc1ccns1 404401065 1169683313 /nfs/dbraw/zinc/68/33/13/1169683313.db2.gz SPYXRSJVFUBHOP-ZCFIWIBFSA-N 0 3 199.279 0.449 20 0 ACADHN C[C@H](N)C(=O)N(C)Cc1ccns1 404401063 1169683583 /nfs/dbraw/zinc/68/35/83/1169683583.db2.gz SPYXRSJVFUBHOP-LURJTMIESA-N 0 3 199.279 0.449 20 0 ACADHN Cc1ccc(O)cc1NC(=O)[C@@H](C)N 606267620 1169693126 /nfs/dbraw/zinc/69/31/26/1169693126.db2.gz YKKRQMKJQCBDGA-SSDOTTSWSA-N 0 3 194.234 0.986 20 0 ACADHN COc1cccc(NC(=O)[C@H](C)N)n1 606270084 1169694495 /nfs/dbraw/zinc/69/44/95/1169694495.db2.gz KUIRAUFUXOGCFP-LURJTMIESA-N 0 3 195.222 0.376 20 0 ACADHN CN1C[C@@H](CN2CCCCC2)OC1=O 606273425 1169694514 /nfs/dbraw/zinc/69/45/14/1169694514.db2.gz UUPHLLJJKNPBLH-VIFPVBQESA-N 0 3 198.266 0.923 20 0 ACADHN CCC(=O)Nc1nn(C)c(C)c1CN 606271210 1169694696 /nfs/dbraw/zinc/69/46/96/1169694696.db2.gz VJVHPFSGQWAXGE-UHFFFAOYSA-N 0 3 196.254 0.536 20 0 ACADHN CN1C[C@H](CN2CCCCC2)OC1=O 606273424 1169695385 /nfs/dbraw/zinc/69/53/85/1169695385.db2.gz UUPHLLJJKNPBLH-SECBINFHSA-N 0 3 198.266 0.923 20 0 ACADHN C[C@@H](N)C(=O)NCCc1ccns1 709812892 1169727800 /nfs/dbraw/zinc/72/78/00/1169727800.db2.gz IJXPYPWLIRPNEC-ZCFIWIBFSA-N 0 3 199.279 0.149 20 0 ACADHN C[C@H](N)C(=O)NCCc1ccns1 709812891 1169727859 /nfs/dbraw/zinc/72/78/59/1169727859.db2.gz IJXPYPWLIRPNEC-LURJTMIESA-N 0 3 199.279 0.149 20 0 ACADHN CC[C@H](N)C(=O)NC[C@H]1C=CCC1 711681306 1169729934 /nfs/dbraw/zinc/72/99/34/1169729934.db2.gz VSWLWYVVSDFCHA-IUCAKERBSA-N 0 3 182.267 0.806 20 0 ACADHN CC[C@H](N)C(=O)NC[C@@H]1C=CCC1 711681302 1169729994 /nfs/dbraw/zinc/72/99/94/1169729994.db2.gz VSWLWYVVSDFCHA-BDAKNGLRSA-N 0 3 182.267 0.806 20 0 ACADHN CN(CCCF)C(=O)C1(N)CC1 716752036 1169742521 /nfs/dbraw/zinc/74/25/21/1169742521.db2.gz DEAZXQLNAKNNHY-UHFFFAOYSA-N 0 3 174.219 0.296 20 0 ACADHN CC[C@@H](N)C(=O)N(C)CCCF 716753096 1169743157 /nfs/dbraw/zinc/74/31/57/1169743157.db2.gz KTWGENRGCWLLQX-SSDOTTSWSA-N 0 3 176.235 0.542 20 0 ACADHN OCC=CCNCc1cnc[nH]1 717463071 1169745287 /nfs/dbraw/zinc/74/52/87/1169745287.db2.gz HHYHEWZFRFHQBH-UPHRSURJSA-N 0 3 167.212 0.048 20 0 ACADHN OCC=CCNCc1cnc[nH]1 717463069 1169746245 /nfs/dbraw/zinc/74/62/45/1169746245.db2.gz HHYHEWZFRFHQBH-OWOJBTEDSA-N 0 3 167.212 0.048 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1CC12CCC2 721200830 1169756878 /nfs/dbraw/zinc/75/68/78/1169756878.db2.gz KESDTPPIGUAHLD-RNFRBKRXSA-N 0 3 168.240 0.392 20 0 ACADHN O[C@H]1C[C@H](CNCc2ncc[nH]2)C1 720919784 1169757096 /nfs/dbraw/zinc/75/70/96/1169757096.db2.gz WRFUOZMZDGPGIJ-ZKCHVHJHSA-N 0 3 181.239 0.270 20 0 ACADHN NCC(=O)N[C@@H]1CC12CCC2 721202984 1169757173 /nfs/dbraw/zinc/75/71/73/1169757173.db2.gz PTIJAMQEYRRWEW-ZCFIWIBFSA-N 0 3 154.213 0.004 20 0 ACADHN NC1(C(=O)N[C@H]2CC23CCC3)CC1 721205641 1169757317 /nfs/dbraw/zinc/75/73/17/1169757317.db2.gz DGXILZAGHJPKQQ-ZETCQYMHSA-N 0 3 180.251 0.537 20 0 ACADHN NC1(C(=O)N[C@@H]2CC23CCC3)CC1 721205639 1169757524 /nfs/dbraw/zinc/75/75/24/1169757524.db2.gz DGXILZAGHJPKQQ-SSDOTTSWSA-N 0 3 180.251 0.537 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1CC12CCC2 721200829 1169758239 /nfs/dbraw/zinc/75/82/39/1169758239.db2.gz KESDTPPIGUAHLD-NKWVEPMBSA-N 0 3 168.240 0.392 20 0 ACADHN NCC(=O)N[C@H]1CC12CCC2 721202983 1169758789 /nfs/dbraw/zinc/75/87/89/1169758789.db2.gz PTIJAMQEYRRWEW-LURJTMIESA-N 0 3 154.213 0.004 20 0 ACADHN C[C@@H](N)C(=O)N[C@H]1CC12CCC2 721200831 1169758838 /nfs/dbraw/zinc/75/88/38/1169758838.db2.gz KESDTPPIGUAHLD-RQJHMYQMSA-N 0 3 168.240 0.392 20 0 ACADHN C[C@H](N)C(=O)N[C@H]1CC12CCC2 721200479 1169759407 /nfs/dbraw/zinc/75/94/07/1169759407.db2.gz KESDTPPIGUAHLD-BQBZGAKWSA-N 0 3 168.240 0.392 20 0 ACADHN Cn1cnc(CNC[C@H]2C[C@@H](O)C2)c1 720994746 1169759715 /nfs/dbraw/zinc/75/97/15/1169759715.db2.gz XZOICUJELZTZIN-WAAGHKOSSA-N 0 3 195.266 0.281 20 0 ACADHN CCO[N-]C(=O)CC(C)(C)C[NH3+] 721264113 1169762162 /nfs/dbraw/zinc/76/21/62/1169762162.db2.gz XORWFXYLKINNSH-UHFFFAOYSA-N 0 3 174.244 0.429 20 0 ACADHN C[C@@H](N)C(=O)NCCC1CC=CC1 724189083 1169768373 /nfs/dbraw/zinc/76/83/73/1169768373.db2.gz PSSWNVJHHRQSER-MRVPVSSYSA-N 0 3 182.267 0.806 20 0 ACADHN C[C@H]([NH2+][C@H]1C[C@H](N)C1(C)C)C(=O)[O-] 405303202 973822163 /nfs/dbraw/zinc/82/21/63/973822163.db2.gz UWJFUNAAQMEIJY-ACZMJKKPSA-N 0 3 186.255 0.175 20 0 ACADHN C[C@H]([NH2+][C@@H]1C[C@@H](N)C1(C)C)C(=O)[O-] 405303215 973821414 /nfs/dbraw/zinc/82/14/14/973821414.db2.gz UWJFUNAAQMEIJY-RRKCRQDMSA-N 0 3 186.255 0.175 20 0 ACADHN C[C@H]([NH2+][C@@H]1C[C@H](N)C1(C)C)C(=O)[O-] 405303210 973821978 /nfs/dbraw/zinc/82/19/78/973821978.db2.gz UWJFUNAAQMEIJY-LYFYHCNISA-N 0 3 186.255 0.175 20 0 ACADHN C[C@H]([NH2+][C@H]1C[C@@H](N)C1(C)C)C(=O)[O-] 405303219 973822303 /nfs/dbraw/zinc/82/23/03/973822303.db2.gz UWJFUNAAQMEIJY-XVMARJQXSA-N 0 3 186.255 0.175 20 0 ACADHN COCCN[C@](C)(C(N)=O)C(C)C 53256849 566257184 /nfs/dbraw/zinc/25/71/84/566257184.db2.gz DXVDHIPBTSTJOR-VIFPVBQESA-N 0 3 188.271 0.122 20 0 ACADHN C[C@H](O)CN(C)Cc1ccnc(N)c1 52731843 566257237 /nfs/dbraw/zinc/25/72/37/566257237.db2.gz SWBONVWEACPKOV-QMMMGPOBSA-N 0 3 195.266 0.476 20 0 ACADHN CC(C)NCC1(S(C)(=O)=O)CC1 53737749 566257331 /nfs/dbraw/zinc/25/73/31/566257331.db2.gz WIRMUFFBDXGNLX-UHFFFAOYSA-N 0 3 191.296 0.562 20 0 ACADHN CCN(CCO)Cc1ccnc(N)c1 52722815 566257593 /nfs/dbraw/zinc/25/75/93/566257593.db2.gz SOSWMZJSRFGDKH-UHFFFAOYSA-N 0 3 195.266 0.478 20 0 ACADHN COCCN[C@@](C)(C(N)=O)C(C)C 53256851 566258116 /nfs/dbraw/zinc/25/81/16/566258116.db2.gz DXVDHIPBTSTJOR-SECBINFHSA-N 0 3 188.271 0.122 20 0 ACADHN CN(CCO)Cc1ccnc(N)c1 52722762 566258337 /nfs/dbraw/zinc/25/83/37/566258337.db2.gz PFNUUGGMUKLBSY-UHFFFAOYSA-N 0 3 181.239 0.088 20 0 ACADHN CCN(CCC(C)C)CC(N)=O 143162002 566267184 /nfs/dbraw/zinc/26/71/84/566267184.db2.gz LGKQNEHWTCVPGU-UHFFFAOYSA-N 0 3 172.272 0.840 20 0 ACADHN CN(C)CCNC(=O)Nc1ccon1 170588638 566273747 /nfs/dbraw/zinc/27/37/47/566273747.db2.gz ZYKBTJQKBWDAMX-UHFFFAOYSA-N 0 3 198.226 0.358 20 0 ACADHN CN(CC(N)=O)C(C)(C)C 197443812 566275918 /nfs/dbraw/zinc/27/59/18/566275918.db2.gz XALREISZHFRYOA-UHFFFAOYSA-N 0 3 144.218 0.202 20 0 ACADHN CN(C[C@@H](O)C1CC1)[C@H]1CCOC1 253624943 566288077 /nfs/dbraw/zinc/28/80/77/566288077.db2.gz YMUAUGZFZBQIJT-VHSXEESVSA-N 0 3 185.267 0.478 20 0 ACADHN CN(C[C@H](O)C1CC1)[C@H]1CCOC1 253624942 566288356 /nfs/dbraw/zinc/28/83/56/566288356.db2.gz YMUAUGZFZBQIJT-UWVGGRQHSA-N 0 3 185.267 0.478 20 0 ACADHN CN1CCC(O)(C(F)(F)CN)CC1 257880161 566289602 /nfs/dbraw/zinc/28/96/02/566289602.db2.gz VGWHUJCQRLCSAQ-UHFFFAOYSA-N 0 3 194.225 0.037 20 0 ACADHN CNCC(=O)Nc1ccnc(OC)c1 306289861 566293015 /nfs/dbraw/zinc/29/30/15/566293015.db2.gz OWIUJFFGEOBDEM-UHFFFAOYSA-N 0 3 195.222 0.248 20 0 ACADHN CCn1cc(O[C@@H]2COC[C@H]2N)cn1 307183130 566295759 /nfs/dbraw/zinc/29/57/59/566295759.db2.gz PCRUUJHUFNVLOX-RKDXNWHRSA-N 0 3 197.238 0.008 20 0 ACADHN CCn1cc(O[C@H]2COC[C@H]2N)cn1 307183127 566296160 /nfs/dbraw/zinc/29/61/60/566296160.db2.gz PCRUUJHUFNVLOX-BDAKNGLRSA-N 0 3 197.238 0.008 20 0 ACADHN Cc1c(N)ccc(=O)n1CCN(C)C 307183906 566296954 /nfs/dbraw/zinc/29/69/54/566296954.db2.gz ALNPJWPBHBQGFO-UHFFFAOYSA-N 0 3 195.266 0.301 20 0 ACADHN CCn1cc(O[C@H]2COC[C@@H]2N)cn1 307183129 566297081 /nfs/dbraw/zinc/29/70/81/566297081.db2.gz PCRUUJHUFNVLOX-IUCAKERBSA-N 0 3 197.238 0.008 20 0 ACADHN O=C1CC[C@@H](CN2CCC(O)CC2)O1 1261252314 1170113296 /nfs/dbraw/zinc/11/32/96/1170113296.db2.gz GLKAUZLQJIWEFT-VIFPVBQESA-N 0 3 199.250 0.149 20 0 ACADHN O=C1CC[C@H](CN2CCC(O)CC2)O1 1261252313 1170113659 /nfs/dbraw/zinc/11/36/59/1170113659.db2.gz GLKAUZLQJIWEFT-SECBINFHSA-N 0 3 199.250 0.149 20 0 ACADHN C[C@H]1OCC[C@@]1(C)NCc1nnc[nH]1 1261638545 1170116534 /nfs/dbraw/zinc/11/65/34/1170116534.db2.gz FIOJAHHUXZUQPC-VXNVDRBHSA-N 0 3 196.254 0.462 20 0 ACADHN O=C1C[C@@H](CN2CC[C@H](F)C2)CN1 1261639861 1170116681 /nfs/dbraw/zinc/11/66/81/1170116681.db2.gz PISLJHSAIIUZBT-SFYZADRCSA-N 0 3 186.230 0.166 20 0 ACADHN C[C@@H]1OCC[C@@]1(C)NCc1nnc[nH]1 1261638544 1170117544 /nfs/dbraw/zinc/11/75/44/1170117544.db2.gz FIOJAHHUXZUQPC-IONNQARKSA-N 0 3 196.254 0.462 20 0 ACADHN O=C1C[C@H](CN2CC[C@H](F)C2)CN1 1261639862 1170117551 /nfs/dbraw/zinc/11/75/51/1170117551.db2.gz PISLJHSAIIUZBT-YUMQZZPRSA-N 0 3 186.230 0.166 20 0 ACADHN C[C@H]1OCC[C@]1(C)NCc1nnc[nH]1 1261638542 1170118044 /nfs/dbraw/zinc/11/80/44/1170118044.db2.gz FIOJAHHUXZUQPC-APPZFPTMSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@@H]1OCC[C@]1(C)NCc1nnc[nH]1 1261638543 1170118104 /nfs/dbraw/zinc/11/81/04/1170118104.db2.gz FIOJAHHUXZUQPC-CBAPKCEASA-N 0 3 196.254 0.462 20 0 ACADHN CCn1nncc1CN[C@H](C)[C@@H](C)O 1261836737 1170120124 /nfs/dbraw/zinc/12/01/24/1170120124.db2.gz KFSCDXIMQHVOMY-HTQZYQBOSA-N 0 3 198.270 0.157 20 0 ACADHN CCn1nncc1CN[C@@H](C)[C@@H](C)O 1261836738 1170120495 /nfs/dbraw/zinc/12/04/95/1170120495.db2.gz KFSCDXIMQHVOMY-JGVFFNPUSA-N 0 3 198.270 0.157 20 0 ACADHN CCn1nncc1CN[C@@H](C)[C@H](C)O 1261836740 1170120788 /nfs/dbraw/zinc/12/07/88/1170120788.db2.gz KFSCDXIMQHVOMY-YUMQZZPRSA-N 0 3 198.270 0.157 20 0 ACADHN CCn1nncc1CN[C@H](C)[C@H](C)O 1261836739 1170121582 /nfs/dbraw/zinc/12/15/82/1170121582.db2.gz KFSCDXIMQHVOMY-SFYZADRCSA-N 0 3 198.270 0.157 20 0 ACADHN C[C@H](N)c1cn(CC2(C)COC2)nn1 1262023466 1170122680 /nfs/dbraw/zinc/12/26/80/1170122680.db2.gz YAPGTPNIZMUJJN-ZETCQYMHSA-N 0 3 196.254 0.334 20 0 ACADHN C[C@@H](N)c1cn(CC2(C)COC2)nn1 1262023465 1170123133 /nfs/dbraw/zinc/12/31/33/1170123133.db2.gz YAPGTPNIZMUJJN-SSDOTTSWSA-N 0 3 196.254 0.334 20 0 ACADHN CO[C@@H](CN)C(=O)N[C@H]1C=CCCC1 1262035847 1170123429 /nfs/dbraw/zinc/12/34/29/1170123429.db2.gz XIKQQBSOJYDXOE-IUCAKERBSA-N 0 3 198.266 0.185 20 0 ACADHN CO[C@@H](CN)C(=O)N[C@@H]1C=CCCC1 1262035846 1170124016 /nfs/dbraw/zinc/12/40/16/1170124016.db2.gz XIKQQBSOJYDXOE-BDAKNGLRSA-N 0 3 198.266 0.185 20 0 ACADHN Cc1cc(N)nc(N[C@@H]2CC[C@H]2O)n1 1262370578 1170130343 /nfs/dbraw/zinc/13/03/43/1170130343.db2.gz LXZZSVSNTRHMIG-RNFRBKRXSA-N 0 3 194.238 0.302 20 0 ACADHN CCOCC[C@H](O)CNCCF 1262562198 1170132122 /nfs/dbraw/zinc/13/21/22/1170132122.db2.gz SLNKAVMWJASMKQ-QMMMGPOBSA-N 0 3 179.235 0.333 20 0 ACADHN CCOCC[C@@H](O)CNCCF 1262562197 1170133439 /nfs/dbraw/zinc/13/34/39/1170133439.db2.gz SLNKAVMWJASMKQ-MRVPVSSYSA-N 0 3 179.235 0.333 20 0 ACADHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NC(=O)C1(N)CC1 1263195875 1170141475 /nfs/dbraw/zinc/14/14/75/1170141475.db2.gz BLJZAUPKOAMMNS-LURQLKTLSA-N 0 3 194.278 0.638 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 1263196387 1170141580 /nfs/dbraw/zinc/14/15/80/1170141580.db2.gz QNONTDQNLPZYDW-HOTMZDKISA-N 0 3 196.294 0.884 20 0 ACADHN CC[C@@H](N)C(=O)NC/C=C\Cl 1263259633 1170143221 /nfs/dbraw/zinc/14/32/21/1170143221.db2.gz CRGBXPJQXLRBSV-KGJQDRRLSA-N 0 3 176.647 0.592 20 0 ACADHN CC[C@@H](N)C(=O)NC/C=C/Cl 1263259632 1170143356 /nfs/dbraw/zinc/14/33/56/1170143356.db2.gz CRGBXPJQXLRBSV-FCJGRKLLSA-N 0 3 176.647 0.592 20 0 ACADHN CC(C)(C)[C@H](N)C(=O)Nc1cn[nH]n1 1263261793 1170143529 /nfs/dbraw/zinc/14/35/29/1170143529.db2.gz OMLMAEKMJXLXSH-ZCFIWIBFSA-N 0 3 197.242 0.117 20 0 ACADHN CCC(=O)NCC1CN(CC)C1 1267673588 1170150706 /nfs/dbraw/zinc/15/07/06/1170150706.db2.gz JMFPPMNRPZVJNE-UHFFFAOYSA-N 0 3 170.256 0.464 20 0 ACADHN CC(=O)NC[C@H](NCCF)C1CC1 1266392597 1170151379 /nfs/dbraw/zinc/15/13/79/1170151379.db2.gz LESDCFLNKBGKHC-VIFPVBQESA-N 0 3 188.246 0.460 20 0 ACADHN CC(=O)NC[C@@H](NCCF)C1CC1 1266392596 1170152066 /nfs/dbraw/zinc/15/20/66/1170152066.db2.gz LESDCFLNKBGKHC-SECBINFHSA-N 0 3 188.246 0.460 20 0 ACADHN CCCN1CC[C@H]1CNC(=O)CC 1269188224 1170153948 /nfs/dbraw/zinc/15/39/48/1170153948.db2.gz AQMIMOUCOUQKKC-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CCCN1CC[C@@H]1CNC(=O)CC 1269188223 1170154442 /nfs/dbraw/zinc/15/44/42/1170154442.db2.gz AQMIMOUCOUQKKC-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CCC(=O)N(C)C[C@@H](C)NCCF 1277736220 1170161478 /nfs/dbraw/zinc/16/14/78/1170161478.db2.gz YOIMGPNHBHIAKX-MRVPVSSYSA-N 0 3 190.262 0.802 20 0 ACADHN CCC(=O)N(C)C[C@H](C)NCCF 1277736221 1170163805 /nfs/dbraw/zinc/16/38/05/1170163805.db2.gz YOIMGPNHBHIAKX-QMMMGPOBSA-N 0 3 190.262 0.802 20 0 ACADHN Cc1nccn1Cc1c[nH]nn1 1307320046 1170181151 /nfs/dbraw/zinc/18/11/51/1170181151.db2.gz SHWCFWJRKQIHIO-UHFFFAOYSA-N 0 3 163.184 0.358 20 0 ACADHN CC[C@@H]1OCC[C@H]1NCc1nnc[nH]1 1307831650 1170185460 /nfs/dbraw/zinc/18/54/60/1170185460.db2.gz QASGWHWNECAOFL-SFYZADRCSA-N 0 3 196.254 0.462 20 0 ACADHN CNC(=O)CCN1CC[C@H](F)C1 1307783725 1170187194 /nfs/dbraw/zinc/18/71/94/1170187194.db2.gz RXPFQEZDQKAEBS-ZETCQYMHSA-N 0 3 174.219 0.166 20 0 ACADHN Cc1ccc(CN[C@@H](C)CCO)nn1 1308275465 1170188767 /nfs/dbraw/zinc/18/87/67/1170188767.db2.gz CFYDFLNUVITZJQ-QMMMGPOBSA-N 0 3 195.266 0.646 20 0 ACADHN Cc1ccc(CN[C@H](C)CCO)nn1 1308275464 1170188862 /nfs/dbraw/zinc/18/88/62/1170188862.db2.gz CFYDFLNUVITZJQ-MRVPVSSYSA-N 0 3 195.266 0.646 20 0 ACADHN CO[C@@]1(C)C[C@H]1NCc1cc(C)[nH]n1 1308471015 1170190630 /nfs/dbraw/zinc/19/06/30/1170190630.db2.gz GSJWKVGUYDSCNE-ZJUUUORDSA-N 0 3 195.266 0.985 20 0 ACADHN Nc1ncccc1CN[C@H]1C[C@@H](O)C1 1308821224 1170191548 /nfs/dbraw/zinc/19/15/48/1170191548.db2.gz PZDFDHGIPMYLGW-DTORHVGOSA-N 0 3 193.250 0.277 20 0 ACADHN CC(=O)NC[C@H](C)NCCF 1317222757 1170191627 /nfs/dbraw/zinc/19/16/27/1170191627.db2.gz OJOIXITZKYVWOG-LURJTMIESA-N 0 3 162.208 0.070 20 0 ACADHN CC(=O)NC[C@@H](C)NCCF 1317222768 1170193355 /nfs/dbraw/zinc/19/33/55/1170193355.db2.gz OJOIXITZKYVWOG-ZCFIWIBFSA-N 0 3 162.208 0.070 20 0 ACADHN Nc1ncccc1CN[C@@H]1CC[C@H]1O 1308965903 1170193488 /nfs/dbraw/zinc/19/34/88/1170193488.db2.gz XNVQTIOVPGDAOG-RKDXNWHRSA-N 0 3 193.250 0.277 20 0 ACADHN CCC(=O)NCCN(C)CCCF 1317437308 1170195131 /nfs/dbraw/zinc/19/51/31/1170195131.db2.gz OHTHXQMYFRQPPL-UHFFFAOYSA-N 0 3 190.262 0.804 20 0 ACADHN CCNC(=O)CN1CC2CCC1CC2 1319757001 1170201156 /nfs/dbraw/zinc/20/11/56/1170201156.db2.gz ZEKZJIYMWLBKKT-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN Cc1cc(CN(C)CC(C)(C)O)n[nH]1 1319822210 1170205562 /nfs/dbraw/zinc/20/55/62/1170205562.db2.gz AAJCWWYTKKCUQT-UHFFFAOYSA-N 0 3 197.282 0.921 20 0 ACADHN CCN(Cc1cc(C)[nH]n1)[C@H](C)CO 1324157834 1170220600 /nfs/dbraw/zinc/22/06/00/1170220600.db2.gz DSZZJDJVNACHPT-SECBINFHSA-N 0 3 197.282 0.921 20 0 ACADHN CCCN(CCO)Cc1cc(C)[nH]n1 1324711935 1170225675 /nfs/dbraw/zinc/22/56/75/1170225675.db2.gz LCHAKWDCQORFOD-UHFFFAOYSA-N 0 3 197.282 0.922 20 0 ACADHN CCN(CCCO)Cc1cc(C)[nH]n1 1324746516 1170226269 /nfs/dbraw/zinc/22/62/69/1170226269.db2.gz MVPPUWSANZIQPA-UHFFFAOYSA-N 0 3 197.282 0.922 20 0 ACADHN OC[C@@H]1[C@H]2CN(Cc3cnc[nH]3)C[C@H]21 1324817250 1170228616 /nfs/dbraw/zinc/22/86/16/1170228616.db2.gz QFMPMCDDKAVQBE-MYJAWHEDSA-N 0 3 193.250 0.080 20 0 ACADHN CC[C@@H](O)CNCc1ccc(=O)[nH]n1 1325879495 1170235478 /nfs/dbraw/zinc/23/54/78/1170235478.db2.gz PBUJMCCRKDYOAK-MRVPVSSYSA-N 0 3 197.238 0.043 20 0 ACADHN Cc1cc(CN[C@H](C)[C@H](C)O)ncn1 1326155283 1170238276 /nfs/dbraw/zinc/23/82/76/1170238276.db2.gz CUDXDXYHNUMIKU-BDAKNGLRSA-N 0 3 195.266 0.644 20 0 ACADHN Cc1cc(CN[C@@H](C)[C@H](C)O)ncn1 1326155285 1170239230 /nfs/dbraw/zinc/23/92/30/1170239230.db2.gz CUDXDXYHNUMIKU-IUCAKERBSA-N 0 3 195.266 0.644 20 0 ACADHN Cc1cc(CN[C@H](C)[C@@H](C)O)ncn1 1326155286 1170239321 /nfs/dbraw/zinc/23/93/21/1170239321.db2.gz CUDXDXYHNUMIKU-RKDXNWHRSA-N 0 3 195.266 0.644 20 0 ACADHN Cc1cc(CN[C@@H](C)[C@@H](C)O)ncn1 1326155284 1170239307 /nfs/dbraw/zinc/23/93/07/1170239307.db2.gz CUDXDXYHNUMIKU-DTWKUNHWSA-N 0 3 195.266 0.644 20 0 ACADHN CCN(Cc1cc(C)[nH]n1)[C@@H](C)CO 1326341640 1170240751 /nfs/dbraw/zinc/24/07/51/1170240751.db2.gz DSZZJDJVNACHPT-VIFPVBQESA-N 0 3 197.282 0.921 20 0 ACADHN C[C@H](N)C(=O)N[C@H]1CCC[C@@H](F)C1 1326625573 1170241630 /nfs/dbraw/zinc/24/16/30/1170241630.db2.gz BEUWQFFNBFEXKZ-RNJXMRFFSA-N 0 3 188.246 0.731 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1CCC[C@H](F)C1 1326625571 1170242138 /nfs/dbraw/zinc/24/21/38/1170242138.db2.gz BEUWQFFNBFEXKZ-BIIVOSGPSA-N 0 3 188.246 0.731 20 0 ACADHN C[C@H](N)C(=O)N[C@H]1CCC[C@H](F)C1 1326625572 1170242799 /nfs/dbraw/zinc/24/27/99/1170242799.db2.gz BEUWQFFNBFEXKZ-FXQIFTODSA-N 0 3 188.246 0.731 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1CCC[C@@H](F)C1 1326625574 1170242868 /nfs/dbraw/zinc/24/28/68/1170242868.db2.gz BEUWQFFNBFEXKZ-XLPZGREQSA-N 0 3 188.246 0.731 20 0 ACADHN C[C@@H]1CN(Cc2nnc[nH]2)C[C@@H]1C 1327513623 1170250182 /nfs/dbraw/zinc/25/01/82/1170250182.db2.gz XVYNKCFGVKBDNV-OCAPTIKFSA-N 0 3 180.255 0.893 20 0 ACADHN C[C@H]1CN(Cc2nnc[nH]2)C[C@@H]1C 1327513624 1170250873 /nfs/dbraw/zinc/25/08/73/1170250873.db2.gz XVYNKCFGVKBDNV-YUMQZZPRSA-N 0 3 180.255 0.893 20 0 ACADHN C[C@@H]1CN(Cc2nnc[nH]2)C[C@H]1C 1327513602 1170251424 /nfs/dbraw/zinc/25/14/24/1170251424.db2.gz XVYNKCFGVKBDNV-HTQZYQBOSA-N 0 3 180.255 0.893 20 0 ACADHN OCC1(NCc2nc[nH]n2)CCCC1 1327553882 1170253032 /nfs/dbraw/zinc/25/30/32/1170253032.db2.gz JFAOZVDSMVRTOI-UHFFFAOYSA-N 0 3 196.254 0.199 20 0 ACADHN OC[C@@H]1[C@H]2CN(Cc3cn[nH]c3)C[C@H]21 1328398008 1170261810 /nfs/dbraw/zinc/26/18/10/1170261810.db2.gz DUDQXWNMMPETHZ-MYJAWHEDSA-N 0 3 193.250 0.080 20 0 ACADHN C[C@@H](N)C(=O)N[C@H]1CCC[C@H](F)C1 1328523419 1170264026 /nfs/dbraw/zinc/26/40/26/1170264026.db2.gz BEUWQFFNBFEXKZ-CSMHCCOUSA-N 0 3 188.246 0.731 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1CCC[C@@H](F)C1 1328523418 1170264047 /nfs/dbraw/zinc/26/40/47/1170264047.db2.gz BEUWQFFNBFEXKZ-BWZBUEFSSA-N 0 3 188.246 0.731 20 0 ACADHN C[C@@H](N)C(=O)N[C@H]1CCC[C@@H](F)C1 1328523423 1170264313 /nfs/dbraw/zinc/26/43/13/1170264313.db2.gz BEUWQFFNBFEXKZ-PRJMDXOYSA-N 0 3 188.246 0.731 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1CCC[C@H](F)C1 1328523421 1170264385 /nfs/dbraw/zinc/26/43/85/1170264385.db2.gz BEUWQFFNBFEXKZ-GJMOJQLCSA-N 0 3 188.246 0.731 20 0 ACADHN C[C@H](O)[C@@H](C)NCc1ccc(=O)[nH]n1 1329141278 1170265890 /nfs/dbraw/zinc/26/58/90/1170265890.db2.gz KBKLPCYIXKOQRE-RQJHMYQMSA-N 0 3 197.238 0.041 20 0 ACADHN C[C@@H](O)[C@@H](C)NCc1ccc(=O)[nH]n1 1329141277 1170266173 /nfs/dbraw/zinc/26/61/73/1170266173.db2.gz KBKLPCYIXKOQRE-RNFRBKRXSA-N 0 3 197.238 0.041 20 0 ACADHN C[C@H](O)[C@H](C)NCc1ccc(=O)[nH]n1 1329141274 1170266508 /nfs/dbraw/zinc/26/65/08/1170266508.db2.gz KBKLPCYIXKOQRE-BQBZGAKWSA-N 0 3 197.238 0.041 20 0 ACADHN C[C@H](NCc1ccc(=O)[nH]n1)[C@@H](C)O 1329141276 1170266936 /nfs/dbraw/zinc/26/69/36/1170266936.db2.gz KBKLPCYIXKOQRE-NKWVEPMBSA-N 0 3 197.238 0.041 20 0 ACADHN CCC[C@H](N)c1cn(C2COC2)nn1 1329691917 1170271179 /nfs/dbraw/zinc/27/11/79/1170271179.db2.gz CAEMVQCFNCNVSL-QMMMGPOBSA-N 0 3 196.254 0.649 20 0 ACADHN c1nc(CCNCc2ccon2)n[nH]1 1329743657 1170272847 /nfs/dbraw/zinc/27/28/47/1170272847.db2.gz SHUWMBPGEUNVLE-UHFFFAOYSA-N 0 3 193.210 0.125 20 0 ACADHN CCC[C@@H](N)c1cn(C2COC2)nn1 1329691915 1170272944 /nfs/dbraw/zinc/27/29/44/1170272944.db2.gz CAEMVQCFNCNVSL-MRVPVSSYSA-N 0 3 196.254 0.649 20 0 ACADHN OCC[C@H](NCc1nc[nH]n1)C1CC1 1330560889 1170279140 /nfs/dbraw/zinc/27/91/40/1170279140.db2.gz ZXYDWVZHWVNWLV-QMMMGPOBSA-N 0 3 196.254 0.055 20 0 ACADHN OCC[C@H](NCc1nnc[nH]1)C1CC1 1330560889 1170279142 /nfs/dbraw/zinc/27/91/42/1170279142.db2.gz ZXYDWVZHWVNWLV-QMMMGPOBSA-N 0 3 196.254 0.055 20 0 ACADHN CCn1ccnc1[C@@H](C)NC(=O)CN 1330594564 1170280041 /nfs/dbraw/zinc/28/00/41/1170280041.db2.gz MOSSEIDFLMBCLI-SSDOTTSWSA-N 0 3 196.254 0.039 20 0 ACADHN CCn1ccnc1[C@H](C)NC(=O)CN 1330594565 1170280363 /nfs/dbraw/zinc/28/03/63/1170280363.db2.gz MOSSEIDFLMBCLI-ZETCQYMHSA-N 0 3 196.254 0.039 20 0 ACADHN OCC[C@@H](NCc1nc[nH]n1)C1CC1 1330560887 1170280768 /nfs/dbraw/zinc/28/07/68/1170280768.db2.gz ZXYDWVZHWVNWLV-MRVPVSSYSA-N 0 3 196.254 0.055 20 0 ACADHN OCC[C@@H](NCc1nnc[nH]1)C1CC1 1330560887 1170280771 /nfs/dbraw/zinc/28/07/71/1170280771.db2.gz ZXYDWVZHWVNWLV-MRVPVSSYSA-N 0 3 196.254 0.055 20 0 ACADHN c1nc(CNC2(C3CC3)CC2)n[nH]1 1330560824 1170281197 /nfs/dbraw/zinc/28/11/97/1170281197.db2.gz YRVHMZIFCMXFFZ-UHFFFAOYSA-N 0 3 178.239 0.837 20 0 ACADHN c1nnc(C[NH2+]C2(C3CC3)CC2)[n-]1 1330560824 1170281199 /nfs/dbraw/zinc/28/11/99/1170281199.db2.gz YRVHMZIFCMXFFZ-UHFFFAOYSA-N 0 3 178.239 0.837 20 0 ACADHN C[C@H]1CCC(C)(C)N1C(=O)CN 1331334839 1170289155 /nfs/dbraw/zinc/28/91/55/1170289155.db2.gz IAPXGOAPJBUWCS-ZETCQYMHSA-N 0 3 170.256 0.735 20 0 ACADHN C[C@@H]1CCC(C)(C)N1C(=O)CN 1331334835 1170289685 /nfs/dbraw/zinc/28/96/85/1170289685.db2.gz IAPXGOAPJBUWCS-SSDOTTSWSA-N 0 3 170.256 0.735 20 0 ACADHN CN1C[C@@H](CN2C[C@H]3C[C@H]3C2)OC1=O 1331254982 1170291246 /nfs/dbraw/zinc/29/12/46/1170291246.db2.gz RIIVIBSUSCGKFX-YIZRAAEISA-N 0 3 196.250 0.389 20 0 ACADHN CN1C[C@H](CN2C[C@H]3C[C@H]3C2)OC1=O 1331254977 1170291557 /nfs/dbraw/zinc/29/15/57/1170291557.db2.gz RIIVIBSUSCGKFX-HRDYMLBCSA-N 0 3 196.250 0.389 20 0 ACADHN NCC(=O)N(CC(F)F)C1CCC1 1331473678 1170291939 /nfs/dbraw/zinc/29/19/39/1170291939.db2.gz HOUGTHHVBRHYRC-UHFFFAOYSA-N 0 3 192.209 0.591 20 0 ACADHN CC1(Nc2nc(N)nc(N)n2)CC1 1331533866 1170292438 /nfs/dbraw/zinc/29/24/38/1170292438.db2.gz QELRJPPVMNVBDB-UHFFFAOYSA-N 0 3 180.215 0.000 20 0 ACADHN NCC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 1332022694 1170297747 /nfs/dbraw/zinc/29/77/47/1170297747.db2.gz OBUQSYLHDNYGHF-DTWKUNHWSA-N 0 3 198.266 0.019 20 0 ACADHN NCC(=O)N[C@H]1CCO[C@H](C2CC2)C1 1332022695 1170298579 /nfs/dbraw/zinc/29/85/79/1170298579.db2.gz OBUQSYLHDNYGHF-IUCAKERBSA-N 0 3 198.266 0.019 20 0 ACADHN NCC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 1332022696 1170298843 /nfs/dbraw/zinc/29/88/43/1170298843.db2.gz OBUQSYLHDNYGHF-RKDXNWHRSA-N 0 3 198.266 0.019 20 0 ACADHN NCC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 1332022693 1170299086 /nfs/dbraw/zinc/29/90/86/1170299086.db2.gz OBUQSYLHDNYGHF-BDAKNGLRSA-N 0 3 198.266 0.019 20 0 ACADHN NCC(=O)NCc1cc(C2CC2)no1 1332105578 1170299535 /nfs/dbraw/zinc/29/95/35/1170299535.db2.gz MNOBJDFKVWHPIH-UHFFFAOYSA-N 0 3 195.222 0.127 20 0 ACADHN OC[C@H]1C[C@H](NCc2c[nH]cn2)C1 1332330278 1170303482 /nfs/dbraw/zinc/30/34/82/1170303482.db2.gz OHZLUTJELIOVLN-ZKCHVHJHSA-N 0 3 181.239 0.270 20 0 ACADHN CN(C(=O)C1(N)CCC1)c1cn[nH]c1 1332517375 1170309853 /nfs/dbraw/zinc/30/98/53/1170309853.db2.gz PTWJCYDNVTTXAR-UHFFFAOYSA-N 0 3 194.238 0.254 20 0 ACADHN CCN(CC(N)=O)CC1CC(C)C1 1332978810 1170314184 /nfs/dbraw/zinc/31/41/84/1170314184.db2.gz BGGQUFADPRPFJF-UHFFFAOYSA-N 0 3 184.283 0.840 20 0 ACADHN C[C@H](N)c1cn(Cc2c[nH]cn2)nn1 1333112657 1170316099 /nfs/dbraw/zinc/31/60/99/1170316099.db2.gz HCKIDXPNKSCDBM-LURJTMIESA-N 0 3 192.226 0.069 20 0 ACADHN C[C@@H](N)c1cn(Cc2c[nH]cn2)nn1 1333112658 1170318306 /nfs/dbraw/zinc/31/83/06/1170318306.db2.gz HCKIDXPNKSCDBM-ZCFIWIBFSA-N 0 3 192.226 0.069 20 0 ACADHN CC[C@@H]1C[C@H]1CN(CC)CC(N)=O 1333459908 1170324272 /nfs/dbraw/zinc/32/42/72/1170324272.db2.gz ARTDLJCBJMELNZ-BDAKNGLRSA-N 0 3 184.283 0.840 20 0 ACADHN Cc1cc(CNCC=CCO)n[nH]1 1333309498 1170322409 /nfs/dbraw/zinc/32/24/09/1170322409.db2.gz AHHIZENUEVULPC-NSCUHMNNSA-N 0 3 181.239 0.356 20 0 ACADHN Cc1cc(CNCC=CCO)n[nH]1 1333309495 1170322767 /nfs/dbraw/zinc/32/27/67/1170322767.db2.gz AHHIZENUEVULPC-IHWYPQMZSA-N 0 3 181.239 0.356 20 0 ACADHN OC[C@H]1CCN1CCOCC1CC1 1333451138 1170324934 /nfs/dbraw/zinc/32/49/34/1170324934.db2.gz LFNWJZPEEJEBMA-SNVBAGLBSA-N 0 3 185.267 0.480 20 0 ACADHN OC[C@@H]1CCN1CCOCC1CC1 1333451137 1170327095 /nfs/dbraw/zinc/32/70/95/1170327095.db2.gz LFNWJZPEEJEBMA-JTQLQIEISA-N 0 3 185.267 0.480 20 0 ACADHN C[C@H](NCCCCO)c1cnnn1C 1333594649 1170329497 /nfs/dbraw/zinc/32/94/97/1170329497.db2.gz ACTCVVVUYQZJKN-QMMMGPOBSA-N 0 3 198.270 0.238 20 0 ACADHN C[C@@H](NCCCCO)c1cnnn1C 1333594648 1170330268 /nfs/dbraw/zinc/33/02/68/1170330268.db2.gz ACTCVVVUYQZJKN-MRVPVSSYSA-N 0 3 198.270 0.238 20 0 ACADHN Cc1cc(CN2C[C@@H](C)[C@@H](O)C2)n[nH]1 1333827071 1170331557 /nfs/dbraw/zinc/33/15/57/1170331557.db2.gz QNKMQUYNACJPED-XCBNKYQSSA-N 0 3 195.266 0.531 20 0 ACADHN Cc1cc(CN2C[C@@H](O)[C@H](C)C2)n[nH]1 1333827069 1170332811 /nfs/dbraw/zinc/33/28/11/1170332811.db2.gz QNKMQUYNACJPED-GMSGAONNSA-N 0 3 195.266 0.531 20 0 ACADHN Cc1cc(CNC[C@@H]2COCO2)[nH]n1 1334285069 1170340234 /nfs/dbraw/zinc/34/02/34/1170340234.db2.gz HWAZCGJRIZXPJM-SECBINFHSA-N 0 3 197.238 0.181 20 0 ACADHN Cc1ncoc1CNC[C@H]1C[C@@H](O)C1 1334279595 1170340412 /nfs/dbraw/zinc/34/04/12/1170340412.db2.gz DOWBWSLOTOVGLE-DTORHVGOSA-N 0 3 196.250 0.844 20 0 ACADHN Cc1cc(N)nc(NC/C=C/CO)n1 1334287300 1170340710 /nfs/dbraw/zinc/34/07/10/1170340710.db2.gz KIYFFPQUZMVUOZ-NSCUHMNNSA-N 0 3 194.238 0.328 20 0 ACADHN Cc1cc(N)nc(NC/C=C\CO)n1 1334287292 1170340901 /nfs/dbraw/zinc/34/09/01/1170340901.db2.gz KIYFFPQUZMVUOZ-IHWYPQMZSA-N 0 3 194.238 0.328 20 0 ACADHN Cc1cc(CNC[C@H]2COCO2)[nH]n1 1334285070 1170341387 /nfs/dbraw/zinc/34/13/87/1170341387.db2.gz HWAZCGJRIZXPJM-VIFPVBQESA-N 0 3 197.238 0.181 20 0 ACADHN CO[C@H]1C[C@H](NCc2cc(C)n[nH]2)C1 1334907756 1170347584 /nfs/dbraw/zinc/34/75/84/1170347584.db2.gz RTBKUHZPMRZSBF-CZMCAQCFSA-N 0 3 195.266 0.985 20 0 ACADHN C=CC(=O)N[C@H]1CCN(CCOC)C1 1335316337 1170352350 /nfs/dbraw/zinc/35/23/50/1170352350.db2.gz BUEHKZGMGLOCIG-VIFPVBQESA-N 0 3 198.266 0.009 20 0 ACADHN C=CC(=O)N[C@@H]1CCN(CCOC)C1 1335316336 1170353151 /nfs/dbraw/zinc/35/31/51/1170353151.db2.gz BUEHKZGMGLOCIG-SECBINFHSA-N 0 3 198.266 0.009 20 0 ACADHN CCn1ncnc1N1CC(N(C)C)C1 1336561617 1170373179 /nfs/dbraw/zinc/37/31/79/1170373179.db2.gz GOUFKCOAANHMGI-UHFFFAOYSA-N 0 3 195.270 0.048 20 0 ACADHN C=CC(=O)N[C@@]1(C)CN2CCC1CC2 1336676858 1170375740 /nfs/dbraw/zinc/37/57/40/1170375740.db2.gz RQYJXLHKXYYPIQ-NSHDSACASA-N 0 3 194.278 0.773 20 0 ACADHN C=CC(=O)N[C@]1(C)CN2CCC1CC2 1336676857 1170377612 /nfs/dbraw/zinc/37/76/12/1170377612.db2.gz RQYJXLHKXYYPIQ-LLVKDONJSA-N 0 3 194.278 0.773 20 0 ACADHN CSC[C@@H](O)CNCCF 1336733243 1170378667 /nfs/dbraw/zinc/37/86/67/1170378667.db2.gz LKFZEBSDHVTRNH-LURJTMIESA-N 0 3 167.249 0.269 20 0 ACADHN CSC[C@H](O)CNCCF 1336733244 1170380022 /nfs/dbraw/zinc/38/00/22/1170380022.db2.gz LKFZEBSDHVTRNH-ZCFIWIBFSA-N 0 3 167.249 0.269 20 0 ACADHN CN(C)C(=O)OCCN1C[C@H]2C[C@H]2C1 1337586405 1170393522 /nfs/dbraw/zinc/39/35/22/1170393522.db2.gz SWDDWVVKOBGGGN-DTORHVGOSA-N 0 3 198.266 0.636 20 0 ACADHN C[C@@H](NCCCON)c1cnccn1 1337804199 1170399975 /nfs/dbraw/zinc/39/99/75/1170399975.db2.gz ANCIMLXNODLHRC-MRVPVSSYSA-N 0 3 196.254 0.408 20 0 ACADHN C[C@H](NCCCON)c1cnccn1 1337804201 1170400204 /nfs/dbraw/zinc/40/02/04/1170400204.db2.gz ANCIMLXNODLHRC-QMMMGPOBSA-N 0 3 196.254 0.408 20 0 ACADHN CO[N-]C(=O)CCSCCC[NH3+] 1340774287 1170431058 /nfs/dbraw/zinc/43/10/58/1170431058.db2.gz NLIIHRJRVPCOTJ-UHFFFAOYSA-N 0 3 192.284 0.136 20 0 ACADHN CCC[C@@H](O)CCNC(=O)[C@@H](C)N 1341088836 1170431967 /nfs/dbraw/zinc/43/19/67/1170431967.db2.gz PZQQBQMWICDECN-HTQZYQBOSA-N 0 3 188.271 0.001 20 0 ACADHN CCC[C@H](O)CCNC(=O)[C@H](C)N 1341088840 1170432364 /nfs/dbraw/zinc/43/23/64/1170432364.db2.gz PZQQBQMWICDECN-YUMQZZPRSA-N 0 3 188.271 0.001 20 0 ACADHN CCC[C@@H](O)CCNC(=O)[C@H](C)N 1341088837 1170432599 /nfs/dbraw/zinc/43/25/99/1170432599.db2.gz PZQQBQMWICDECN-JGVFFNPUSA-N 0 3 188.271 0.001 20 0 ACADHN CCC[C@H](O)CCNC(=O)[C@@H](C)N 1341088838 1170433319 /nfs/dbraw/zinc/43/33/19/1170433319.db2.gz PZQQBQMWICDECN-SFYZADRCSA-N 0 3 188.271 0.001 20 0 ACADHN NCC(=O)N1CCCC12CCC2 1340996161 1170433593 /nfs/dbraw/zinc/43/35/93/1170433593.db2.gz QNKGGAXSXGVLBV-UHFFFAOYSA-N 0 3 168.240 0.490 20 0 ACADHN C[C@@H](N)C(=O)N1CCCc2n[nH]cc21 1341727023 1170439339 /nfs/dbraw/zinc/43/93/39/1170439339.db2.gz ZLPVRLUSGZWACP-ZCFIWIBFSA-N 0 3 194.238 0.036 20 0 ACADHN NCC(=O)NC[C@@H]1C[C@H]1C1CCCC1 1341965650 1170441851 /nfs/dbraw/zinc/44/18/51/1170441851.db2.gz JRKAUWBKYVXAHJ-UWVGGRQHSA-N 0 3 196.294 0.888 20 0 ACADHN NCC(=O)NC[C@H]1C[C@@H]1C1CCCC1 1341965649 1170442075 /nfs/dbraw/zinc/44/20/75/1170442075.db2.gz JRKAUWBKYVXAHJ-NXEZZACHSA-N 0 3 196.294 0.888 20 0 ACADHN NCC(=O)NC[C@H]1C[C@H]1C1CCCC1 1341965655 1170442587 /nfs/dbraw/zinc/44/25/87/1170442587.db2.gz JRKAUWBKYVXAHJ-ZJUUUORDSA-N 0 3 196.294 0.888 20 0 ACADHN NCC(=O)NC[C@@H]1C[C@@H]1C1CCCC1 1341965654 1170442939 /nfs/dbraw/zinc/44/29/39/1170442939.db2.gz JRKAUWBKYVXAHJ-VHSXEESVSA-N 0 3 196.294 0.888 20 0 ACADHN C[C@H](N)C(=O)N1CCCC12CCC2 1342518814 1170446940 /nfs/dbraw/zinc/44/69/40/1170446940.db2.gz LGZYOFCXDCPXTC-QMMMGPOBSA-N 0 3 182.267 0.879 20 0 ACADHN CSCC(C)(C)NC(=O)[C@H](C)N 1342276929 1170447765 /nfs/dbraw/zinc/44/77/65/1170447765.db2.gz VPSRPJZNJKRQOR-LURJTMIESA-N 0 3 190.312 0.591 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 1342584867 1170447900 /nfs/dbraw/zinc/44/79/00/1170447900.db2.gz QNONTDQNLPZYDW-FHNUBNKASA-N 0 3 196.294 0.884 20 0 ACADHN C[C@@H](N)C(=O)N1CCCC12CCC2 1342518812 1170448382 /nfs/dbraw/zinc/44/83/82/1170448382.db2.gz LGZYOFCXDCPXTC-MRVPVSSYSA-N 0 3 182.267 0.879 20 0 ACADHN CO[C@@H](CN)C(=O)N[C@@]12CCC[C@@H]1C2 1342789437 1170449906 /nfs/dbraw/zinc/44/99/06/1170449906.db2.gz XKWCUCBFHLARAQ-KHQFGBGNSA-N 0 3 198.266 0.019 20 0 ACADHN C[C@H](N)C(=O)NC/C=C\Cl 1343037632 1170453840 /nfs/dbraw/zinc/45/38/40/1170453840.db2.gz TUELGBVQLOWXBY-KQLGLEPJSA-N 0 3 162.620 0.202 20 0 ACADHN CC[C@H](N)C(=O)NC/C=C\Cl 1343158004 1170453993 /nfs/dbraw/zinc/45/39/93/1170453993.db2.gz CRGBXPJQXLRBSV-SYDCGGLASA-N 0 3 176.647 0.592 20 0 ACADHN CC[C@H](N)C(=O)NC/C=C/Cl 1343158006 1170454688 /nfs/dbraw/zinc/45/46/88/1170454688.db2.gz CRGBXPJQXLRBSV-YUDCMIJISA-N 0 3 176.647 0.592 20 0 ACADHN C[C@H](N)C(=O)NC/C=C/Cl 1343037631 1170455065 /nfs/dbraw/zinc/45/50/65/1170455065.db2.gz TUELGBVQLOWXBY-HRJJCQLASA-N 0 3 162.620 0.202 20 0 ACADHN CSCC(C)(C)NC(=O)[C@@H](C)N 1343144108 1170455517 /nfs/dbraw/zinc/45/55/17/1170455517.db2.gz VPSRPJZNJKRQOR-ZCFIWIBFSA-N 0 3 190.312 0.591 20 0 ACADHN CC[C@@H](C(=O)NC1(C)CC1)N(C)C 1345065750 1170467024 /nfs/dbraw/zinc/46/70/24/1170467024.db2.gz HUYOPNSNSWUPHN-QMMMGPOBSA-N 0 3 184.283 0.995 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1C[C@H]1[C@@H]1C[C@H]1C 1344777310 1170467775 /nfs/dbraw/zinc/46/77/75/1170467775.db2.gz CLOCJLMYSNZXAJ-QKCLAQEOSA-N 0 3 182.267 0.494 20 0 ACADHN Cc1ncccc1CCNC(=O)CN 1345611021 1170472744 /nfs/dbraw/zinc/47/27/44/1170472744.db2.gz IEMHVLJPPFWXKW-UHFFFAOYSA-N 0 3 193.250 0.007 20 0 ACADHN NCC(=O)N1CCC[C@H]1c1ncc[nH]1 1346055628 1170476029 /nfs/dbraw/zinc/47/60/29/1170476029.db2.gz AJQPNJMRVSTJKE-ZETCQYMHSA-N 0 3 194.238 0.032 20 0 ACADHN C[C@H](O)[C@H](C)N[C@H](C)c1cnccn1 1346135056 1170476059 /nfs/dbraw/zinc/47/60/59/1170476059.db2.gz CRGYXLFNGSZHPU-YIZRAAEISA-N 0 3 195.266 0.897 20 0 ACADHN C[C@@H](N[C@H](C)[C@@H](C)O)c1cnccn1 1346135055 1170476117 /nfs/dbraw/zinc/47/61/17/1170476117.db2.gz CRGYXLFNGSZHPU-IWSPIJDZSA-N 0 3 195.266 0.897 20 0 ACADHN C[C@H](N[C@H](C)c1cnccn1)[C@@H](C)O 1346135053 1170477079 /nfs/dbraw/zinc/47/70/79/1170477079.db2.gz CRGYXLFNGSZHPU-DJLDLDEBSA-N 0 3 195.266 0.897 20 0 ACADHN NCC(=O)N1CCC[C@@H]1c1ncc[nH]1 1346055627 1170477657 /nfs/dbraw/zinc/47/76/57/1170477657.db2.gz AJQPNJMRVSTJKE-SSDOTTSWSA-N 0 3 194.238 0.032 20 0 ACADHN C[C@H](O)[C@@H](C)N[C@H](C)c1cnccn1 1346135054 1170477743 /nfs/dbraw/zinc/47/77/43/1170477743.db2.gz CRGYXLFNGSZHPU-HLTSFMKQSA-N 0 3 195.266 0.897 20 0 ACADHN CC(C)OCC[C@H](O)CNCCF 1346181868 1170478359 /nfs/dbraw/zinc/47/83/59/1170478359.db2.gz SLUKFBWURXJORI-VIFPVBQESA-N 0 3 193.262 0.722 20 0 ACADHN Cc1cc(CN(C)[C@@H](C)CCO)n[nH]1 1346208893 1170479027 /nfs/dbraw/zinc/47/90/27/1170479027.db2.gz PZIJNJLPFHQMOH-VIFPVBQESA-N 0 3 197.282 0.921 20 0 ACADHN Cc1cc(CN(C)[C@H](C)CCO)n[nH]1 1346208879 1170479247 /nfs/dbraw/zinc/47/92/47/1170479247.db2.gz PZIJNJLPFHQMOH-SECBINFHSA-N 0 3 197.282 0.921 20 0 ACADHN CC(C)OCC[C@@H](O)CNCCF 1346181831 1170479468 /nfs/dbraw/zinc/47/94/68/1170479468.db2.gz SLUKFBWURXJORI-SECBINFHSA-N 0 3 193.262 0.722 20 0 ACADHN FC[C@H]1CCN(Cn2cnnc2)C1 1349938206 1170515118 /nfs/dbraw/zinc/51/51/18/1170515118.db2.gz DPSRCJJYMPUIIZ-MRVPVSSYSA-N 0 3 184.218 0.527 20 0 ACADHN FC[C@@H]1CCN(Cn2cnnc2)C1 1349938210 1170515777 /nfs/dbraw/zinc/51/57/77/1170515777.db2.gz DPSRCJJYMPUIIZ-QMMMGPOBSA-N 0 3 184.218 0.527 20 0 ACADHN CC(C)[C@H](CCO)NCc1nc[nH]n1 1350371072 1170518033 /nfs/dbraw/zinc/51/80/33/1170518033.db2.gz HFIPGXFLAXSDSD-QMMMGPOBSA-N 0 3 198.270 0.301 20 0 ACADHN CC(C)[C@@H](CCO)NCc1nc[nH]n1 1350371071 1170519683 /nfs/dbraw/zinc/51/96/83/1170519683.db2.gz HFIPGXFLAXSDSD-MRVPVSSYSA-N 0 3 198.270 0.301 20 0 ACADHN C[C@](O)(CNC/C=C/CO)C(F)F 1353302085 1170536322 /nfs/dbraw/zinc/53/63/22/1170536322.db2.gz VXHZWQJRFPXCSF-SGJFDWMWSA-N 0 3 195.209 0.141 20 0 ACADHN C[C@@](O)(CNC/C=C/CO)C(F)F 1353302086 1170537476 /nfs/dbraw/zinc/53/74/76/1170537476.db2.gz VXHZWQJRFPXCSF-UFUPEUMYSA-N 0 3 195.209 0.141 20 0 ACADHN C[C@@](O)(CNC/C=C\CO)C(F)F 1353302088 1170538199 /nfs/dbraw/zinc/53/81/99/1170538199.db2.gz VXHZWQJRFPXCSF-YAJNLLPGSA-N 0 3 195.209 0.141 20 0 ACADHN C[C@](O)(CNC/C=C\CO)C(F)F 1353302083 1170538208 /nfs/dbraw/zinc/53/82/08/1170538208.db2.gz VXHZWQJRFPXCSF-KZUAUGPASA-N 0 3 195.209 0.141 20 0 ACADHN Cc1cc(CN[C@H]2C[C@H](CO)C2)[nH]n1 1354179776 1170545781 /nfs/dbraw/zinc/54/57/81/1170545781.db2.gz AEPZLWLGHCUWQV-KYZUINATSA-N 0 3 195.266 0.579 20 0 ACADHN CSCC(C)(C)NC(=O)CN 1355600841 1170554796 /nfs/dbraw/zinc/55/47/96/1170554796.db2.gz SELIVHFUVCAALQ-UHFFFAOYSA-N 0 3 176.285 0.203 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1O2 1357151879 1170560850 /nfs/dbraw/zinc/56/08/50/1170560850.db2.gz CCNPIDHKYOSHRO-JQCXWYLXSA-N 0 3 198.266 0.160 20 0 ACADHN CC[C@@H](F)C(=O)N(C)CCN(C)C 1358010939 1170561921 /nfs/dbraw/zinc/56/19/21/1170561921.db2.gz LOWZEYQJCSNIPM-MRVPVSSYSA-N 0 3 190.262 0.755 20 0 ACADHN CC[C@H](F)C(=O)N(C)CCN(C)C 1358010940 1170562656 /nfs/dbraw/zinc/56/26/56/1170562656.db2.gz LOWZEYQJCSNIPM-QMMMGPOBSA-N 0 3 190.262 0.755 20 0 ACADHN NCC(=O)NC[C@@H]1C[C@H]1C(F)(F)F 1358193549 1170564755 /nfs/dbraw/zinc/56/47/55/1170564755.db2.gz HHAMORWHBPCRAW-CRCLSJGQSA-N 0 3 196.172 0.260 20 0 ACADHN C[C@@H](O)[C@@H](C)N(C)Cc1cnc[nH]1 1460422388 1170578324 /nfs/dbraw/zinc/57/83/24/1170578324.db2.gz YUSOPMJFSGMAGI-HTQZYQBOSA-N 0 3 183.255 0.611 20 0 ACADHN C[C@H](O)[C@H](C)N(C)Cc1cnc[nH]1 1460422391 1170578975 /nfs/dbraw/zinc/57/89/75/1170578975.db2.gz YUSOPMJFSGMAGI-YUMQZZPRSA-N 0 3 183.255 0.611 20 0 ACADHN Cc1n[nH]cc1CN(C)[C@@H](C)[C@H](C)O 1460597913 1170579018 /nfs/dbraw/zinc/57/90/18/1170579018.db2.gz XJKSTRDXXFRCBW-IUCAKERBSA-N 0 3 197.282 0.919 20 0 ACADHN C[C@H](O)[C@@H](C)N(C)Cc1cnc[nH]1 1460422390 1170579622 /nfs/dbraw/zinc/57/96/22/1170579622.db2.gz YUSOPMJFSGMAGI-SFYZADRCSA-N 0 3 183.255 0.611 20 0 ACADHN Cc1n[nH]cc1CN(C)[C@H](C)[C@@H](C)O 1460597918 1170579822 /nfs/dbraw/zinc/57/98/22/1170579822.db2.gz XJKSTRDXXFRCBW-RKDXNWHRSA-N 0 3 197.282 0.919 20 0 ACADHN Cc1n[nH]cc1CN(C)[C@H](C)[C@H](C)O 1460597905 1170579981 /nfs/dbraw/zinc/57/99/81/1170579981.db2.gz XJKSTRDXXFRCBW-BDAKNGLRSA-N 0 3 197.282 0.919 20 0 ACADHN C[C@@H]([C@@H](C)O)N(C)Cc1cnc[nH]1 1460422389 1170580423 /nfs/dbraw/zinc/58/04/23/1170580423.db2.gz YUSOPMJFSGMAGI-JGVFFNPUSA-N 0 3 183.255 0.611 20 0 ACADHN Cc1n[nH]cc1CN(C)[C@@H](C)[C@@H](C)O 1460597909 1170580459 /nfs/dbraw/zinc/58/04/59/1170580459.db2.gz XJKSTRDXXFRCBW-DTWKUNHWSA-N 0 3 197.282 0.919 20 0 ACADHN Cn1cncc1CN[C@H]1C[C@@H](O)C1 1461582542 1170582225 /nfs/dbraw/zinc/58/22/25/1170582225.db2.gz WUZUOPIFFJEYLU-OTSSQURYSA-N 0 3 181.239 0.033 20 0 ACADHN CCc1ncc(CN[C@@H](C)CO)cn1 1461333783 1170583039 /nfs/dbraw/zinc/58/30/39/1170583039.db2.gz WHJZVABFNRJONR-QMMMGPOBSA-N 0 3 195.266 0.509 20 0 ACADHN C[C@H]1CCN1C(=O)CN1CC[C@@H](C)C1 1471723535 1170590989 /nfs/dbraw/zinc/59/09/89/1170590989.db2.gz NZAFRARQVYRNTE-ZJUUUORDSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@H]1CCN(CC(=O)N2CC[C@H]2C)C1 1471723533 1170591892 /nfs/dbraw/zinc/59/18/92/1170591892.db2.gz NZAFRARQVYRNTE-VHSXEESVSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@H]1CCN(CC(=O)N2CC[C@@H]2C)C1 1471723531 1170592110 /nfs/dbraw/zinc/59/21/10/1170592110.db2.gz NZAFRARQVYRNTE-UWVGGRQHSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@@H]1CCN(CC(=O)N2CC[C@H]2C)C1 1471723524 1170592616 /nfs/dbraw/zinc/59/26/16/1170592616.db2.gz NZAFRARQVYRNTE-NXEZZACHSA-N 0 3 196.294 0.949 20 0 ACADHN CC[C@@H]1OCC[C@H]1N[C@@H](C)C(N)=O 1473540600 1170596063 /nfs/dbraw/zinc/59/60/63/1170596063.db2.gz RPNFSBOCWYUFBN-RNJXMRFFSA-N 0 3 186.255 0.017 20 0 ACADHN CC[C@@H]1OCC[C@H]1N[C@H](C)C(N)=O 1473540599 1170596815 /nfs/dbraw/zinc/59/68/15/1170596815.db2.gz RPNFSBOCWYUFBN-PRJMDXOYSA-N 0 3 186.255 0.017 20 0 ACADHN Nc1ncccc1CN[C@H]1CCOC1 1474445695 1170597702 /nfs/dbraw/zinc/59/77/02/1170597702.db2.gz JCGNWSKZLXOBSQ-VIFPVBQESA-N 0 3 193.250 0.542 20 0 ACADHN CC[C@H](CO)NCc1ccc(C)nn1 1473918525 1170597931 /nfs/dbraw/zinc/59/79/31/1170597931.db2.gz ZECIBGKTHATLHB-SECBINFHSA-N 0 3 195.266 0.646 20 0 ACADHN Cc1cc(CN[C@H]2C[C@@H](O)C2)[nH]n1 1474183693 1170598205 /nfs/dbraw/zinc/59/82/05/1170598205.db2.gz WQKYYEAXIKFBJN-OTSSQURYSA-N 0 3 181.239 0.331 20 0 ACADHN Nc1ncccc1CN[C@@H]1CCOC1 1474445694 1170599587 /nfs/dbraw/zinc/59/95/87/1170599587.db2.gz JCGNWSKZLXOBSQ-SECBINFHSA-N 0 3 193.250 0.542 20 0 ACADHN CC[C@@H](CO)NCc1ccc(C)nn1 1473918526 1170599966 /nfs/dbraw/zinc/59/99/66/1170599966.db2.gz ZECIBGKTHATLHB-VIFPVBQESA-N 0 3 195.266 0.646 20 0 ACADHN Nc1ncccc1CN[C@H]1C[C@H](O)C1 1474643318 1170601670 /nfs/dbraw/zinc/60/16/70/1170601670.db2.gz PZDFDHGIPMYLGW-KYZUINATSA-N 0 3 193.250 0.277 20 0 ACADHN CCC(=O)NC[C@@H](CC)NCCF 1481780529 1170603713 /nfs/dbraw/zinc/60/37/13/1170603713.db2.gz IBEJVQOJWUAVHA-MRVPVSSYSA-N 0 3 190.262 0.850 20 0 ACADHN CCC(=O)NC[C@H](CC)NCCF 1481780530 1170603720 /nfs/dbraw/zinc/60/37/20/1170603720.db2.gz IBEJVQOJWUAVHA-QMMMGPOBSA-N 0 3 190.262 0.850 20 0 ACADHN CC(C)C(=O)NC[C@H](C)NCCF 1491397814 1170606277 /nfs/dbraw/zinc/60/62/77/1170606277.db2.gz QSLPNEGUKLVXDY-QMMMGPOBSA-N 0 3 190.262 0.706 20 0 ACADHN CC(C)C(=O)NC[C@@H](C)NCCF 1491397813 1170606931 /nfs/dbraw/zinc/60/69/31/1170606931.db2.gz QSLPNEGUKLVXDY-MRVPVSSYSA-N 0 3 190.262 0.706 20 0 ACADHN CN(C)CCN(C)C(=O)[C@@H]1C[C@@H]1F 1521177607 1170624175 /nfs/dbraw/zinc/62/41/75/1170624175.db2.gz MAGUGAXYRGWKMH-SFYZADRCSA-N 0 3 188.246 0.364 20 0 ACADHN CN(C)CCN(C)C(=O)[C@H]1C[C@@H]1F 1521177608 1170624444 /nfs/dbraw/zinc/62/44/44/1170624444.db2.gz MAGUGAXYRGWKMH-YUMQZZPRSA-N 0 3 188.246 0.364 20 0 ACADHN CN(C)CCN(C)C(=O)[C@H]1C[C@H]1F 1521177606 1170624913 /nfs/dbraw/zinc/62/49/13/1170624913.db2.gz MAGUGAXYRGWKMH-JGVFFNPUSA-N 0 3 188.246 0.364 20 0 ACADHN CN(C)CCN(C)C(=O)[C@@H]1C[C@H]1F 1521177605 1170625510 /nfs/dbraw/zinc/62/55/10/1170625510.db2.gz MAGUGAXYRGWKMH-HTQZYQBOSA-N 0 3 188.246 0.364 20 0 ACADHN Cc1cccnc1[C@H](C)NC(=O)CN 1523717573 1170630912 /nfs/dbraw/zinc/63/09/12/1170630912.db2.gz KSADZJJAKIANIV-QMMMGPOBSA-N 0 3 193.250 0.526 20 0 ACADHN Cc1cccnc1[C@@H](C)NC(=O)CN 1523717572 1170631502 /nfs/dbraw/zinc/63/15/02/1170631502.db2.gz KSADZJJAKIANIV-MRVPVSSYSA-N 0 3 193.250 0.526 20 0 ACADHN C[C@@H]1OCC[C@]1(C)NCc1cn[nH]n1 1559750955 1170656286 /nfs/dbraw/zinc/65/62/86/1170656286.db2.gz WOACWXVUWSAENL-CBAPKCEASA-N 0 3 196.254 0.462 20 0 ACADHN C[C@@H]1OCC[C@]1(C)NCc1c[nH]nn1 1559750955 1170656290 /nfs/dbraw/zinc/65/62/90/1170656290.db2.gz WOACWXVUWSAENL-CBAPKCEASA-N 0 3 196.254 0.462 20 0 ACADHN C[C@H]1OCC[C@@]1(C)NCc1cn[nH]n1 1559750957 1170657344 /nfs/dbraw/zinc/65/73/44/1170657344.db2.gz WOACWXVUWSAENL-VXNVDRBHSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@H]1OCC[C@@]1(C)NCc1c[nH]nn1 1559750957 1170657348 /nfs/dbraw/zinc/65/73/48/1170657348.db2.gz WOACWXVUWSAENL-VXNVDRBHSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@H]1OCC[C@]1(C)NCc1cn[nH]n1 1559750954 1170657889 /nfs/dbraw/zinc/65/78/89/1170657889.db2.gz WOACWXVUWSAENL-APPZFPTMSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@H]1OCC[C@]1(C)NCc1c[nH]nn1 1559750954 1170657892 /nfs/dbraw/zinc/65/78/92/1170657892.db2.gz WOACWXVUWSAENL-APPZFPTMSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@@H]1OCC[C@@]1(C)NCc1cn[nH]n1 1559750956 1170657983 /nfs/dbraw/zinc/65/79/83/1170657983.db2.gz WOACWXVUWSAENL-IONNQARKSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@@H]1OCC[C@@]1(C)NCc1c[nH]nn1 1559750956 1170657987 /nfs/dbraw/zinc/65/79/87/1170657987.db2.gz WOACWXVUWSAENL-IONNQARKSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@H]1C[C@@H](O)CN(CC2=NOCC2)C1 1559914769 1170658882 /nfs/dbraw/zinc/65/88/82/1170658882.db2.gz OHZXFZKSMQNESD-WCBMZHEXSA-N 0 3 198.266 0.465 20 0 ACADHN CC(=O)CN1C[C@H]2CC[C@@H](O)[C@H]2C1 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C[C@@H](N)C(=O)N(C)c1ccc(F)cn1 1573552668 1170677435 /nfs/dbraw/zinc/67/74/35/1170677435.db2.gz HBWYLGOXBQONNU-ZCFIWIBFSA-N 0 3 197.213 0.531 20 0 ACADHN C[C@@H](N)C(=O)N[C@H]1CCC[C@@H]2C[C@H]12 1573551799 1170677558 /nfs/dbraw/zinc/67/75/58/1170677558.db2.gz CCQAAJCKDDFUBX-HXFLIBJXSA-N 0 3 182.267 0.638 20 0 ACADHN CC[C@H]1CCN(C(=O)[C@H](C)N)[C@H]1C 1573711132 1170677874 /nfs/dbraw/zinc/67/78/74/1170677874.db2.gz GGZCEOCTSFGPPU-CIUDSAMLSA-N 0 3 184.283 0.981 20 0 ACADHN CNCC(=O)Nc1nocc1C1CC1 1573895347 1170678404 /nfs/dbraw/zinc/67/84/04/1170678404.db2.gz HUAGOGNBFVOPPS-UHFFFAOYSA-N 0 3 195.222 0.710 20 0 ACADHN CC(=O)[C@@H]1CCCCN1C(=O)[C@H](C)N 1574067815 1170679359 /nfs/dbraw/zinc/67/93/59/1170679359.db2.gz FNXADVSJQAEGAC-CBAPKCEASA-N 0 3 198.266 0.304 20 0 ACADHN C=C=CCNC(=O)[C@@H](N)C(C)(C)C 1574067128 1170679527 /nfs/dbraw/zinc/67/95/27/1170679527.db2.gz JWBQBOKXNKKQBM-MRVPVSSYSA-N 0 3 182.267 0.817 20 0 ACADHN CC(C)[C@H](N)C(=O)N1CCCCN1 1574067360 1170679633 /nfs/dbraw/zinc/67/96/33/1170679633.db2.gz QVWFXBKWMHPYHG-QMMMGPOBSA-N 0 3 185.271 0.097 20 0 ACADHN C=C=CCNC(=O)[C@H](N)CC(C)C 1574067591 1170680024 /nfs/dbraw/zinc/68/00/24/1170680024.db2.gz WCAXKHQKGICLHM-SECBINFHSA-N 0 3 182.267 0.817 20 0 ACADHN CNCC(=O)Nc1c[nH]nc1Cl 1573896787 1170680317 /nfs/dbraw/zinc/68/03/17/1170680317.db2.gz UELSQEOFAHBVEM-UHFFFAOYSA-N 0 3 188.618 0.221 20 0 ACADHN CCn1cc([C@@H](C)NC(=O)CN)cn1 1574080740 1170681006 /nfs/dbraw/zinc/68/10/06/1170681006.db2.gz LRZOUSGFIGWPRY-SSDOTTSWSA-N 0 3 196.254 0.039 20 0 ACADHN CCc1coc(NC(=O)C(C)(C)N)n1 1574080981 1170681105 /nfs/dbraw/zinc/68/11/05/1170681105.db2.gz YFJNWKHCJIIZMG-UHFFFAOYSA-N 0 3 197.238 0.913 20 0 ACADHN CCO[C@H]1C[C@@H](NC(=O)[C@@H](C)N)C1 1574080844 1170681135 /nfs/dbraw/zinc/68/11/35/1170681135.db2.gz NAVJBYNHDYLQIY-PRJMDXOYSA-N 0 3 186.255 0.017 20 0 ACADHN CCNCC(=O)Nc1nc(C)c(C)o1 1574080869 1170681142 /nfs/dbraw/zinc/68/11/42/1170681142.db2.gz QNLXZTHVFJJGNT-UHFFFAOYSA-N 0 3 197.238 0.839 20 0 ACADHN CCn1cc([C@H](C)NC(=O)CN)cn1 1574080741 1170681242 /nfs/dbraw/zinc/68/12/42/1170681242.db2.gz LRZOUSGFIGWPRY-ZETCQYMHSA-N 0 3 196.254 0.039 20 0 ACADHN C[C@@H](C(=O)[O-])N(C)CC(C)(C)[NH3+] 691951938 976392148 /nfs/dbraw/zinc/39/21/48/976392148.db2.gz ITCHRGLMDLLRHG-LURJTMIESA-N 0 3 174.244 0.129 20 0 ACADHN C[C@H](C(=O)[O-])N(C)CC(C)(C)[NH3+] 691951940 976392325 /nfs/dbraw/zinc/39/23/25/976392325.db2.gz ITCHRGLMDLLRHG-ZCFIWIBFSA-N 0 3 174.244 0.129 20 0 ACADHN NCC(=O)N1Cc2ccc(O)cc2C1 1574270427 1170682373 /nfs/dbraw/zinc/68/23/73/1170682373.db2.gz IRAIDRFMHAGOIJ-UHFFFAOYSA-N 0 3 192.218 0.193 20 0 ACADHN NCC(=O)N[C@@H]1CCC[C@]12CCCO2 1574270829 1170682526 /nfs/dbraw/zinc/68/25/26/1170682526.db2.gz WSFAHWNASZQSHA-SCZZXKLOSA-N 0 3 198.266 0.163 20 0 ACADHN NC1(C(=O)N[C@H]2CCC[C@@H]3C[C@H]23)CC1 1574264037 1170682605 /nfs/dbraw/zinc/68/26/05/1170682605.db2.gz JFUSUQGWJJESIR-VGMNWLOBSA-N 0 3 194.278 0.783 20 0 ACADHN NCC(=O)N[C@@H]1CCCC[C@H]1F 1574270269 1170683213 /nfs/dbraw/zinc/68/32/13/1170683213.db2.gz AJXDTBGSILGOLH-RNFRBKRXSA-N 0 3 174.219 0.342 20 0 ACADHN CC(C)(N)C(=O)NC[C@@H]1CCCC1=O 1575341798 1170687524 /nfs/dbraw/zinc/68/75/24/1170687524.db2.gz HVXRTYPEGKKFRM-ZETCQYMHSA-N 0 3 198.266 0.209 20 0 ACADHN CC(C)(N)C(=O)NC[C@H]1CCCC1=O 1575341797 1170688879 /nfs/dbraw/zinc/68/88/79/1170688879.db2.gz HVXRTYPEGKKFRM-SSDOTTSWSA-N 0 3 198.266 0.209 20 0 ACADHN CC(C)C1(NC(=O)OC2CNC2)CC1 1575496100 1170689043 /nfs/dbraw/zinc/68/90/43/1170689043.db2.gz LVPXQOTWDYFTGK-UHFFFAOYSA-N 0 3 198.266 0.873 20 0 ACADHN CC(C)[C@@H]1C[C@H]1CNC(=O)C1(N)CC1 1575828915 1170690312 /nfs/dbraw/zinc/69/03/12/1170690312.db2.gz RNCYFGUBQMQPRK-IUCAKERBSA-N 0 3 196.294 0.886 20 0 ACADHN CC(C)N(C(=O)OC1CNC1)C1CC1 1575680939 1170691166 /nfs/dbraw/zinc/69/11/66/1170691166.db2.gz DRUDTLMJDSSCTN-UHFFFAOYSA-N 0 3 198.266 0.968 20 0 ACADHN CC(C)CN(C)C(=O)OC1CNC1 1575591022 1170691319 /nfs/dbraw/zinc/69/13/19/1170691319.db2.gz DBYBYLQPFZRYOF-UHFFFAOYSA-N 0 3 186.255 0.683 20 0 ACADHN C[C@@H](C1CC1)N(C)C(=O)OC1CNC1 1575913739 1170691393 /nfs/dbraw/zinc/69/13/93/1170691393.db2.gz WWDAHQIVKKXDBZ-ZETCQYMHSA-N 0 3 198.266 0.825 20 0 ACADHN C[C@H](C1CC1)N(C)C(=O)OC1CNC1 1575913738 1170691461 /nfs/dbraw/zinc/69/14/61/1170691461.db2.gz WWDAHQIVKKXDBZ-SSDOTTSWSA-N 0 3 198.266 0.825 20 0 ACADHN CC(C)[C@@H]1C[C@H]1NC(=O)OC1CNC1 1575829156 1170691722 /nfs/dbraw/zinc/69/17/22/1170691722.db2.gz WUCKRLFYGSIYOI-DTWKUNHWSA-N 0 3 198.266 0.729 20 0 ACADHN CC(C)[C@@H]1C[C@H]1CNC(=O)[C@@H](C)N 1575828230 1170692147 /nfs/dbraw/zinc/69/21/47/1170692147.db2.gz HWUVEPKLIKQIDB-VGMNWLOBSA-N 0 3 184.283 0.742 20 0 ACADHN CC(C)CCNC(=O)OC1CNC1 1575574422 1170692281 /nfs/dbraw/zinc/69/22/81/1170692281.db2.gz JCHCKNGIAOOCIA-UHFFFAOYSA-N 0 3 186.255 0.731 20 0 ACADHN C[C@@H](CNC(=O)OC1CNC1)C1CC1 1576029564 1170693110 /nfs/dbraw/zinc/69/31/10/1170693110.db2.gz OCIZVHLUOSZEML-ZETCQYMHSA-N 0 3 198.266 0.731 20 0 ACADHN C[C@H](N)C(=O)N(C)C[Si](C)(C)C 1576085138 1170693635 /nfs/dbraw/zinc/69/36/35/1170693635.db2.gz IYPVNLLEPURMJI-ZETCQYMHSA-N 0 3 188.347 0.669 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 1576087531 1170693663 /nfs/dbraw/zinc/69/36/63/1170693663.db2.gz CPTSLUKNDKIXBG-KDXUFGMBSA-N 0 3 198.266 0.017 20 0 ACADHN CC1(CN[C@H](CO)c2cn[nH]n2)CC1 1575985845 1170693680 /nfs/dbraw/zinc/69/36/80/1170693680.db2.gz BMESVKVSUVNTMY-MRVPVSSYSA-N 0 3 196.254 0.228 20 0 ACADHN CC1(CN[C@@H](CO)c2cn[nH]n2)CC1 1575985846 1170693829 /nfs/dbraw/zinc/69/38/29/1170693829.db2.gz BMESVKVSUVNTMY-QMMMGPOBSA-N 0 3 196.254 0.228 20 0 ACADHN C[C@H](CNC(=O)OC1CNC1)C1CC1 1576029552 1170693930 /nfs/dbraw/zinc/69/39/30/1170693930.db2.gz OCIZVHLUOSZEML-SSDOTTSWSA-N 0 3 198.266 0.731 20 0 ACADHN C[C@@H](N)C(=O)N(C)C[Si](C)(C)C 1576085134 1170694088 /nfs/dbraw/zinc/69/40/88/1170694088.db2.gz IYPVNLLEPURMJI-SSDOTTSWSA-N 0 3 188.347 0.669 20 0 ACADHN C[C@@H](N)C(=O)NN1C[C@H]2CCC[C@H]2C1 1576088730 1170694102 /nfs/dbraw/zinc/69/41/02/1170694102.db2.gz SASRMJKTGNZDSM-HLTSFMKQSA-N 0 3 197.282 0.097 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1C[C@H]1[C@H]1CCCO1 1576087529 1170694465 /nfs/dbraw/zinc/69/44/65/1170694465.db2.gz CPTSLUKNDKIXBG-JQCXWYLXSA-N 0 3 198.266 0.017 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1C[C@H]1[C@H]1CCCO1 1576087527 1170694693 /nfs/dbraw/zinc/69/46/93/1170694693.db2.gz CPTSLUKNDKIXBG-FNCVBFRFSA-N 0 3 198.266 0.017 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 1576087526 1170694703 /nfs/dbraw/zinc/69/47/03/1170694703.db2.gz CPTSLUKNDKIXBG-BGZDPUMWSA-N 0 3 198.266 0.017 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1C[C@H]1c1ccco1 1576089701 1170694792 /nfs/dbraw/zinc/69/47/92/1170694792.db2.gz YKEWUQNYDPYFRJ-BWZBUEFSSA-N 0 3 194.234 0.599 20 0 ACADHN C[C@@H](N)C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 1576084817 1170694951 /nfs/dbraw/zinc/69/49/51/1170694951.db2.gz FMSHXOVAHHIMKN-BWZBUEFSSA-N 0 3 198.266 0.017 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1C[C@H]1c1ccco1 1576089705 1170695105 /nfs/dbraw/zinc/69/51/05/1170695105.db2.gz YKEWUQNYDPYFRJ-XLPZGREQSA-N 0 3 194.234 0.599 20 0 ACADHN C[C@@H](NC(=O)OC1CNC1)C1CCC1 1576217542 1170696291 /nfs/dbraw/zinc/69/62/91/1170696291.db2.gz PWIRIDJOOFBYLM-SSDOTTSWSA-N 0 3 198.266 0.873 20 0 ACADHN C[C@H](NC(=O)OC1CNC1)C1CCC1 1576217543 1170696965 /nfs/dbraw/zinc/69/69/65/1170696965.db2.gz PWIRIDJOOFBYLM-ZETCQYMHSA-N 0 3 198.266 0.873 20 0 ACADHN CC1(CCNC(=O)OC2CNC2)CC1 1576501616 1170699893 /nfs/dbraw/zinc/69/98/93/1170699893.db2.gz YBEGPMQQSCZWIW-UHFFFAOYSA-N 0 3 198.266 0.875 20 0 ACADHN CC1(C)C[C@@H]1CNC(=O)OC1CNC1 1576404870 1170700113 /nfs/dbraw/zinc/70/01/13/1170700113.db2.gz RTVSXDVMSFZPLM-SSDOTTSWSA-N 0 3 198.266 0.731 20 0 ACADHN CC1(C)C[C@H]1CNC(=O)OC1CNC1 1576404871 1170701093 /nfs/dbraw/zinc/70/10/93/1170701093.db2.gz RTVSXDVMSFZPLM-ZETCQYMHSA-N 0 3 198.266 0.731 20 0 ACADHN CC1(CNC(=O)OC2CNC2)CCC1 1576516627 1170702565 /nfs/dbraw/zinc/70/25/65/1170702565.db2.gz RMLKDKFJWODJAK-UHFFFAOYSA-N 0 3 198.266 0.875 20 0 ACADHN CC1CC(CNC(=O)OC2CNC2)C1 1576596863 1170703405 /nfs/dbraw/zinc/70/34/05/1170703405.db2.gz BDDQBYUBLUBMJZ-UHFFFAOYSA-N 0 3 198.266 0.731 20 0 ACADHN CC12CC(CN1C(=O)OC1CNC1)C2 1576553304 1170704723 /nfs/dbraw/zinc/70/47/23/1170704723.db2.gz KPRUCHLRVPSYLB-UHFFFAOYSA-N 0 3 196.250 0.579 20 0 ACADHN CCC1(CNC(=O)OC2CNC2)CC1 1577220697 1170712659 /nfs/dbraw/zinc/71/26/59/1170712659.db2.gz IAPYOBNVTRJEEY-UHFFFAOYSA-N 0 3 198.266 0.875 20 0 ACADHN CC[C@H](NC(=O)OC1CNC1)C1CC1 1577159378 1170712763 /nfs/dbraw/zinc/71/27/63/1170712763.db2.gz CZKPYNGQZZAIHZ-VIFPVBQESA-N 0 3 198.266 0.873 20 0 ACADHN CC[C@@H](NC(=O)OC1CNC1)C1CC1 1577159377 1170713033 /nfs/dbraw/zinc/71/30/33/1170713033.db2.gz CZKPYNGQZZAIHZ-SECBINFHSA-N 0 3 198.266 0.873 20 0 ACADHN CCC(CC)NC(=O)OC1CNC1 1577073955 1170713208 /nfs/dbraw/zinc/71/32/08/1170713208.db2.gz HVYCKKZHKYPMKA-UHFFFAOYSA-N 0 3 186.255 0.873 20 0 ACADHN CC[C@H]1CCN(C(=O)[C@@H](C)N)[C@H]1C 1577262304 1170714716 /nfs/dbraw/zinc/71/47/16/1170714716.db2.gz GGZCEOCTSFGPPU-VGMNWLOBSA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@@H]1CCN(C(=O)[C@@H](C)N)[C@@H]1C 1577262303 1170714760 /nfs/dbraw/zinc/71/47/60/1170714760.db2.gz GGZCEOCTSFGPPU-IWSPIJDZSA-N 0 3 184.283 0.981 20 0 ACADHN CCCC[C@@H](N)C(=O)N1CC(F)C1 1577400762 1170714827 /nfs/dbraw/zinc/71/48/27/1170714827.db2.gz IHXOIVKKNNPVMM-MRVPVSSYSA-N 0 3 188.246 0.684 20 0 ACADHN CCCC[C@H](N)C(=O)N1CC(F)C1 1577400763 1170715286 /nfs/dbraw/zinc/71/52/86/1170715286.db2.gz IHXOIVKKNNPVMM-QMMMGPOBSA-N 0 3 188.246 0.684 20 0 ACADHN CCCC[C@H](N)C(=O)Nc1cn[nH]n1 1577412211 1170715662 /nfs/dbraw/zinc/71/56/62/1170715662.db2.gz MIDJTPVNDPEVDK-LURJTMIESA-N 0 3 197.242 0.261 20 0 ACADHN CCCC[C@@H](N)C(=O)N1CCCCN1 1577404408 1170715697 /nfs/dbraw/zinc/71/56/97/1170715697.db2.gz WNDTVTUQDLXNIK-SECBINFHSA-N 0 3 199.298 0.631 20 0 ACADHN CCCN(CC)C(=O)OC1CNC1 1577507452 1170715722 /nfs/dbraw/zinc/71/57/22/1170715722.db2.gz VDITZASWMPIWAR-UHFFFAOYSA-N 0 3 186.255 0.827 20 0 ACADHN CC[C@@H]1CCN(C(=O)[C@@H](C)N)[C@H]1C 1577262302 1170715733 /nfs/dbraw/zinc/71/57/33/1170715733.db2.gz GGZCEOCTSFGPPU-HRDYMLBCSA-N 0 3 184.283 0.981 20 0 ACADHN CCCC[C@H](N)C(=O)N1CCOC1 1577403576 1170715896 /nfs/dbraw/zinc/71/58/96/1170715896.db2.gz CKICWFFWUCVVAW-QMMMGPOBSA-N 0 3 186.255 0.320 20 0 ACADHN CCCN(C)C(=O)OC1CNC1 1577495430 1170715961 /nfs/dbraw/zinc/71/59/61/1170715961.db2.gz KBYCKOQVICMMIV-UHFFFAOYSA-N 0 3 172.228 0.437 20 0 ACADHN CCCC[C@@H](N)C(=O)Nc1cn[nH]n1 1577412212 1170716010 /nfs/dbraw/zinc/71/60/10/1170716010.db2.gz MIDJTPVNDPEVDK-ZCFIWIBFSA-N 0 3 197.242 0.261 20 0 ACADHN CCCN(C(=O)OC1CNC1)C1CC1 1577492306 1170716144 /nfs/dbraw/zinc/71/61/44/1170716144.db2.gz OWQQOFUWAHQDIR-UHFFFAOYSA-N 0 3 198.266 0.969 20 0 ACADHN CCCC[C@H](N)C(=O)NC1CC(=O)C1 1577407773 1170716167 /nfs/dbraw/zinc/71/61/67/1170716167.db2.gz ZGWNLTJICYRETQ-VIFPVBQESA-N 0 3 198.266 0.352 20 0 ACADHN CCN(C(=O)OC1CNC1)C(C)C 1577641184 1170716222 /nfs/dbraw/zinc/71/62/22/1170716222.db2.gz IXCNJQZNCMHHJS-UHFFFAOYSA-N 0 3 186.255 0.825 20 0 ACADHN CCCC[C@H](N)C(=O)N1CCCCN1 1577404409 1170716615 /nfs/dbraw/zinc/71/66/15/1170716615.db2.gz WNDTVTUQDLXNIK-VIFPVBQESA-N 0 3 199.298 0.631 20 0 ACADHN CCCCN(C)C(=O)OC1CNC1 1577442006 1170716740 /nfs/dbraw/zinc/71/67/40/1170716740.db2.gz OWSKXSIPWYGPJR-UHFFFAOYSA-N 0 3 186.255 0.827 20 0 ACADHN CCCC[C@@H](N)C(=O)NC1CC(=O)C1 1577407772 1170716839 /nfs/dbraw/zinc/71/68/39/1170716839.db2.gz ZGWNLTJICYRETQ-SECBINFHSA-N 0 3 198.266 0.352 20 0 ACADHN CC[C@H]1CCN(C(=O)[C@@H](C)N)[C@@H]1C 1577262301 1170716911 /nfs/dbraw/zinc/71/69/11/1170716911.db2.gz GGZCEOCTSFGPPU-HLTSFMKQSA-N 0 3 184.283 0.981 20 0 ACADHN CCN(C(=O)OC1CNC1)C1CCC1 1577641361 1170716973 /nfs/dbraw/zinc/71/69/73/1170716973.db2.gz LIEYWFVKMJFWCN-UHFFFAOYSA-N 0 3 198.266 0.969 20 0 ACADHN CCC[C@@H]1C[C@H]1NC(=O)OC1CNC1 1577600842 1170717055 /nfs/dbraw/zinc/71/70/55/1170717055.db2.gz SJENWYJENRBZJQ-VXNVDRBHSA-N 0 3 198.266 0.873 20 0 ACADHN CCN(C(=O)OC1CNC1)C1CC1 1577641981 1170717146 /nfs/dbraw/zinc/71/71/46/1170717146.db2.gz YOFGERKPJCLSIV-UHFFFAOYSA-N 0 3 184.239 0.579 20 0 ACADHN CCCC[C@@H](N)C(=O)N1CCOC1 1577403575 1170717405 /nfs/dbraw/zinc/71/74/05/1170717405.db2.gz CKICWFFWUCVVAW-MRVPVSSYSA-N 0 3 186.255 0.320 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H]1C[C@H]1C(C)C 1578223329 1170718143 /nfs/dbraw/zinc/71/81/43/1170718143.db2.gz ZEAUUYRGWOQBEM-DJLDLDEBSA-N 0 3 184.283 0.884 20 0 ACADHN CC[C@@H](N)C(=O)Nc1n[nH]cc1OC 1578222704 1170718773 /nfs/dbraw/zinc/71/87/73/1170718773.db2.gz CGNWWXXDUFKXJD-RXMQYKEDSA-N 0 3 198.226 0.094 20 0 ACADHN CCNCC(=O)Nc1cc(CC)on1 1577831795 1170718783 /nfs/dbraw/zinc/71/87/83/1170718783.db2.gz ORLFXJIJPJLSPN-UHFFFAOYSA-N 0 3 197.238 0.785 20 0 ACADHN CC[C@@H](N)C(=O)Nc1nc(C)c(C)o1 1578224457 1170719567 /nfs/dbraw/zinc/71/95/67/1170719567.db2.gz TWNPSHSCQSZZOI-SSDOTTSWSA-N 0 3 197.238 0.967 20 0 ACADHN CC[C@@H](N)C(=O)NCc1cnoc1C 1578223274 1170719933 /nfs/dbraw/zinc/71/99/33/1170719933.db2.gz UWIICPAFUMXDMC-MRVPVSSYSA-N 0 3 197.238 0.337 20 0 ACADHN CCO[C@@]1(C)C[C@H]1NC(=O)[C@H](C)N 1578158587 1170720421 /nfs/dbraw/zinc/72/04/21/1170720421.db2.gz IFFMLFPHICMLTR-OOZYFLPDSA-N 0 3 186.255 0.017 20 0 ACADHN CCO[C@@]1(C)C[C@H]1NC(=O)C1(N)CC1 1578158921 1170720533 /nfs/dbraw/zinc/72/05/33/1170720533.db2.gz RSGPEFWOVFCFFU-APPZFPTMSA-N 0 3 198.266 0.161 20 0 ACADHN CCO[C@@]1(C)C[C@H]1NC(=O)[C@@H](C)N 1578158586 1170720558 /nfs/dbraw/zinc/72/05/58/1170720558.db2.gz IFFMLFPHICMLTR-BHNWBGBOSA-N 0 3 186.255 0.017 20 0 ACADHN CCN(CC1CC1)C(=O)OC1CNC1 1577704408 1170721059 /nfs/dbraw/zinc/72/10/59/1170721059.db2.gz MMWONFVAACYWTF-UHFFFAOYSA-N 0 3 198.266 0.827 20 0 ACADHN CC[C@@H](NC(=O)[C@H](C)N)C(F)(F)F 1578226033 1170721161 /nfs/dbraw/zinc/72/11/61/1170721161.db2.gz STYDARTYRPARIQ-CRCLSJGQSA-N 0 3 198.188 0.791 20 0 ACADHN CC[C@@H](NC(=O)CN)C(F)(F)F 1578223846 1170721241 /nfs/dbraw/zinc/72/12/41/1170721241.db2.gz IWBVNLREVPWRDY-SCSAIBSYSA-N 0 3 184.161 0.402 20 0 ACADHN CC[C@H](N)C(=O)NC[C@@H]1CCCC1=O 1578231211 1170721874 /nfs/dbraw/zinc/72/18/74/1170721874.db2.gz KPOUSLOKQVZERQ-YUMQZZPRSA-N 0 3 198.266 0.209 20 0 ACADHN CC[C@H](N)C(=O)N1CC2(CCC2)C1 1578231395 1170722042 /nfs/dbraw/zinc/72/20/42/1170722042.db2.gz WCKWTXOTLNJBBN-QMMMGPOBSA-N 0 3 182.267 0.736 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H]1C[C@H]1C(C)C 1578233355 1170722193 /nfs/dbraw/zinc/72/21/93/1170722193.db2.gz ZEAUUYRGWOQBEM-XHNCKOQMSA-N 0 3 184.283 0.884 20 0 ACADHN CC[C@H](N)C(=O)Nc1n[nH]cc1OC 1578232566 1170722366 /nfs/dbraw/zinc/72/23/66/1170722366.db2.gz CGNWWXXDUFKXJD-YFKPBYRVSA-N 0 3 198.226 0.094 20 0 ACADHN CC[C@@H]1OCC[C@H]1NC(=O)[C@H](C)N 1578228592 1170722632 /nfs/dbraw/zinc/72/26/32/1170722632.db2.gz CQOKNJOWMVYBBV-RNJXMRFFSA-N 0 3 186.255 0.017 20 0 ACADHN CCc1cn(C[C@H]2CNCCO2)cn1 1578281925 1170723085 /nfs/dbraw/zinc/72/30/85/1170723085.db2.gz AVOJSVQXSNCTGP-SNVBAGLBSA-N 0 3 195.266 0.434 20 0 ACADHN CC[C@H](N)C(=O)NC[C@H]1CCCC1=O 1578231210 1170723097 /nfs/dbraw/zinc/72/30/97/1170723097.db2.gz KPOUSLOKQVZERQ-SFYZADRCSA-N 0 3 198.266 0.209 20 0 ACADHN CC[C@@H]1OCC[C@H]1NC(=O)[C@@H](C)N 1578228591 1170723353 /nfs/dbraw/zinc/72/33/53/1170723353.db2.gz CQOKNJOWMVYBBV-PRJMDXOYSA-N 0 3 186.255 0.017 20 0 ACADHN CC[C@@H]1C[C@H]1CNC(=O)OC1CNC1 1578228016 1170723603 /nfs/dbraw/zinc/72/36/03/1170723603.db2.gz LMERLSPLFWNGHK-SFYZADRCSA-N 0 3 198.266 0.731 20 0 ACADHN CC[C@H](N)C(=O)NCc1cnoc1C 1578233187 1170723933 /nfs/dbraw/zinc/72/39/33/1170723933.db2.gz UWIICPAFUMXDMC-QMMMGPOBSA-N 0 3 197.238 0.337 20 0 ACADHN CCc1cn(C[C@@H]2CNCCO2)cn1 1578281924 1170724106 /nfs/dbraw/zinc/72/41/06/1170724106.db2.gz AVOJSVQXSNCTGP-JTQLQIEISA-N 0 3 195.266 0.434 20 0 ACADHN CC[C@H](N)C(=O)Nc1nc(C)c(C)o1 1578233158 1170724163 /nfs/dbraw/zinc/72/41/63/1170724163.db2.gz TWNPSHSCQSZZOI-ZETCQYMHSA-N 0 3 197.238 0.967 20 0 ACADHN CN(CC1CC1)C(=O)OC1CNC1 1578447396 1170724767 /nfs/dbraw/zinc/72/47/67/1170724767.db2.gz AHXFUTAVXQPBSM-UHFFFAOYSA-N 0 3 184.239 0.437 20 0 ACADHN CNCC(=O)N1CCc2cccnc21 1578616452 1170725529 /nfs/dbraw/zinc/72/55/29/1170725529.db2.gz PPXXPNRDTIDFOC-UHFFFAOYSA-N 0 3 191.234 0.190 20 0 ACADHN CN(CC1CCC1)C(=O)OC1CNC1 1578449824 1170726524 /nfs/dbraw/zinc/72/65/24/1170726524.db2.gz BCIPXNLIJUSBMW-UHFFFAOYSA-N 0 3 198.266 0.827 20 0 ACADHN CN[C@@H](C)C(=O)Nc1nc(C)c(C)o1 1578751697 1170728514 /nfs/dbraw/zinc/72/85/14/1170728514.db2.gz VGCBGEIPNJYEHX-LURJTMIESA-N 0 3 197.238 0.838 20 0 ACADHN CNCC(=O)Nc1nc(C)c(C)o1 1578622178 1170729323 /nfs/dbraw/zinc/72/93/23/1170729323.db2.gz PTTQEVSQPHRRKQ-UHFFFAOYSA-N 0 3 183.211 0.449 20 0 ACADHN CNCC(=O)Nc1cc(C(C)C)on1 1578621056 1170729609 /nfs/dbraw/zinc/72/96/09/1170729609.db2.gz CUHIIDUMRKRUKE-UHFFFAOYSA-N 0 3 197.238 0.956 20 0 ACADHN Cc1nc(NC(=O)[C@@H](C)N)oc1C 1579865252 1170740033 /nfs/dbraw/zinc/74/00/33/1170740033.db2.gz OOHMQEDTYGFORU-SCSAIBSYSA-N 0 3 183.211 0.577 20 0 ACADHN Cc1cc(NC(=O)[C@H](C)N)[nH]c(=O)c1 1579623242 1170740582 /nfs/dbraw/zinc/74/05/82/1170740582.db2.gz BIIKVXLHPCVURS-LURJTMIESA-N 0 3 195.222 0.381 20 0 ACADHN Cc1n[nH]nc1NC(=O)[C@H](N)C(C)C 1579895194 1170740801 /nfs/dbraw/zinc/74/08/01/1170740801.db2.gz VOBFXMCLMCRXAO-ZCFIWIBFSA-N 0 3 197.242 0.035 20 0 ACADHN Cc1nc(NC(=O)C(C)(C)N)oc1C 1579864234 1170740958 /nfs/dbraw/zinc/74/09/58/1170740958.db2.gz MHBNUBNEFAFTIR-UHFFFAOYSA-N 0 3 197.238 0.967 20 0 ACADHN Cc1n[nH]nc1NC(=O)CNC(C)C 1579894910 1170741096 /nfs/dbraw/zinc/74/10/96/1170741096.db2.gz MUAXASVIHKFSCQ-UHFFFAOYSA-N 0 3 197.242 0.050 20 0 ACADHN Cc1cc(NC(=O)[C@@H](C)N)[nH]c(=O)c1 1579623243 1170741148 /nfs/dbraw/zinc/74/11/48/1170741148.db2.gz BIIKVXLHPCVURS-ZCFIWIBFSA-N 0 3 195.222 0.381 20 0 ACADHN Cc1n[nH]nc1NC(=O)[C@@H](N)C(C)C 1579895193 1170742541 /nfs/dbraw/zinc/74/25/41/1170742541.db2.gz VOBFXMCLMCRXAO-LURJTMIESA-N 0 3 197.242 0.035 20 0 ACADHN NCC(=O)N[C@@H]1C[C@H]1c1ccco1 1580214058 1170749236 /nfs/dbraw/zinc/74/92/36/1170749236.db2.gz SATYBSRNGKZCSQ-RNFRBKRXSA-N 0 3 180.207 0.210 20 0 ACADHN N[C@@H]1CN(Cc2cn[nH]c2)CC[C@H]1F 1580395232 1170752963 /nfs/dbraw/zinc/75/29/63/1170752963.db2.gz KOKBVIWQTJOIDQ-RKDXNWHRSA-N 0 3 198.245 0.281 20 0 ACADHN N[C@@H]1CN(C(=O)C(F)F)CC[C@H]1F 1580389524 1170753488 /nfs/dbraw/zinc/75/34/88/1170753488.db2.gz MSIBOFUCBBANLN-RFZPGFLSSA-N 0 3 196.172 0.149 20 0 ACADHN N[C@@H]1CN(Cc2c[nH]cn2)CC[C@H]1F 1580395663 1170754742 /nfs/dbraw/zinc/75/47/42/1170754742.db2.gz UAWJOISCKFRYPR-RKDXNWHRSA-N 0 3 198.245 0.281 20 0 ACADHN N[C@@H]1CN(C(=O)CCF)CC[C@H]1F 1580390648 1170755676 /nfs/dbraw/zinc/75/56/76/1170755676.db2.gz BVGJTYQPVREJLY-RNFRBKRXSA-N 0 3 192.209 0.244 20 0 ACADHN [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ncccc1[O-] 1580400198 1170757626 /nfs/dbraw/zinc/75/76/26/1170757626.db2.gz PCDAWTIXFVURGG-NTSWFWBYSA-N 0 3 193.206 0.073 20 0 ACADHN O=C(NCCC1CCC1)OC1CNC1 1580675749 1170759949 /nfs/dbraw/zinc/75/99/49/1170759949.db2.gz AAZCFXGHBLDPLE-UHFFFAOYSA-N 0 3 198.266 0.875 20 0 ACADHN O=C(N1CCCO1)[C@]12C[C@H]1CCCN2 1580583599 1170760064 /nfs/dbraw/zinc/76/00/64/1170760064.db2.gz DKRUQTHECPESFK-SCZZXKLOSA-N 0 3 196.250 0.292 20 0 ACADHN O=C(NCC1CCCC1)OC1CNC1 1580650178 1170760171 /nfs/dbraw/zinc/76/01/71/1170760171.db2.gz SSNSGTBSFUUZCD-UHFFFAOYSA-N 0 3 198.266 0.875 20 0 ACADHN O=C(NCCC(F)F)OC1CNC1 1580671486 1170760561 /nfs/dbraw/zinc/76/05/61/1170760561.db2.gz IMOABVFLZVEBEP-UHFFFAOYSA-N 0 3 194.181 0.340 20 0 ACADHN O=C(CCF)N[C@@H]1CCNC[C@@H]1F 1580532756 1170761007 /nfs/dbraw/zinc/76/10/07/1170761007.db2.gz XYPZGEXXMGXMJT-NKWVEPMBSA-N 0 3 192.209 0.162 20 0 ACADHN O=C(N[C@@]12CCC[C@@H]1C2)OC1CNC1 1580751940 1170761861 /nfs/dbraw/zinc/76/18/61/1170761861.db2.gz VTNAPWJYQHPSKB-GMSGAONNSA-N 0 3 196.250 0.627 20 0 ACADHN O=C(CCF)N[C@@H]1CCNC[C@H]1F 1580532757 1170761888 /nfs/dbraw/zinc/76/18/88/1170761888.db2.gz XYPZGEXXMGXMJT-RNFRBKRXSA-N 0 3 192.209 0.162 20 0 ACADHN O=C(NCCCC1CC1)OC1CNC1 1580680154 1170762280 /nfs/dbraw/zinc/76/22/80/1170762280.db2.gz GAKKMNVBRYNLIF-UHFFFAOYSA-N 0 3 198.266 0.875 20 0 ACADHN O=C(CCF)N[C@H]1CCNC[C@@H]1F 1580532755 1170762542 /nfs/dbraw/zinc/76/25/42/1170762542.db2.gz XYPZGEXXMGXMJT-BQBZGAKWSA-N 0 3 192.209 0.162 20 0 ACADHN O=C(CCF)N[C@H]1CCNC[C@H]1F 1580532758 1170763124 /nfs/dbraw/zinc/76/31/24/1170763124.db2.gz XYPZGEXXMGXMJT-RQJHMYQMSA-N 0 3 192.209 0.162 20 0 ACADHN [NH3+]C[C@H]1CCCN1CCCC(=O)[O-] 1601190938 1170775482 /nfs/dbraw/zinc/77/54/82/1170775482.db2.gz YVZUCJOHFXKCOO-MRVPVSSYSA-N 0 3 186.255 0.274 20 0 ACADHN [NH3+]CC12CCC(CC1)CN2CC(=O)[O-] 1601185961 1170776020 /nfs/dbraw/zinc/77/60/20/1170776020.db2.gz UJLZCZYVRZQBMC-UHFFFAOYSA-N 0 3 198.266 0.274 20 0 ACADHN O=C([O-])C1(CN[C@H]2CCC[NH2+]C2)CC1 1601708131 1170776923 /nfs/dbraw/zinc/77/69/23/1170776923.db2.gz UUQODIPJTABCKN-QMMMGPOBSA-N 0 3 198.266 0.193 20 0 ACADHN O=C([O-])C1(CN[C@@H]2CCC[NH2+]C2)CC1 1601708130 1170777543 /nfs/dbraw/zinc/77/75/43/1170777543.db2.gz UUQODIPJTABCKN-MRVPVSSYSA-N 0 3 198.266 0.193 20 0 ACADHN C[C@H]([NH2+][C@@H]1CCNC12CCC2)C(=O)[O-] 1604330761 1170788116 /nfs/dbraw/zinc/78/81/16/1170788116.db2.gz ZBGIMMJVAYRTIR-JGVFFNPUSA-N 0 3 198.266 0.334 20 0 ACADHN C[C@@H]([NH3+])CN1CCCC[C@@H]1C(=O)[O-] 1604259649 1170788471 /nfs/dbraw/zinc/78/84/71/1170788471.db2.gz UAGVPUCLUYZPBP-HTQZYQBOSA-N 0 3 186.255 0.273 20 0 ACADHN C[C@H]([NH3+])CN1CCCC[C@@H]1C(=O)[O-] 1604259650 1170789474 /nfs/dbraw/zinc/78/94/74/1170789474.db2.gz UAGVPUCLUYZPBP-JGVFFNPUSA-N 0 3 186.255 0.273 20 0 ACADHN C[C@H]([NH2+][C@H]1CCNC12CCC2)C(=O)[O-] 1604330763 1170789958 /nfs/dbraw/zinc/78/99/58/1170789958.db2.gz ZBGIMMJVAYRTIR-YUMQZZPRSA-N 0 3 198.266 0.334 20 0 ACADHN C[C@@H]([NH2+][C@H]1CCNC12CCC2)C(=O)[O-] 1604330762 1170790301 /nfs/dbraw/zinc/79/03/01/1170790301.db2.gz ZBGIMMJVAYRTIR-SFYZADRCSA-N 0 3 198.266 0.334 20 0 ACADHN C[C@@H]([NH2+][C@@H]1CCNC12CCC2)C(=O)[O-] 1604330760 1170790980 /nfs/dbraw/zinc/79/09/80/1170790980.db2.gz ZBGIMMJVAYRTIR-HTQZYQBOSA-N 0 3 198.266 0.334 20 0 ACADHN O=C([O-])CN1CCC[C@]2(CC[NH2+]C2)C1 1608748856 1170800332 /nfs/dbraw/zinc/80/03/32/1170800332.db2.gz XIUKBKDBNBZNLO-SNVBAGLBSA-N 0 3 198.266 0.147 20 0 ACADHN O=C([O-])CN1CCC[C@@]2(CC[NH2+]C2)C1 1608748855 1170801781 /nfs/dbraw/zinc/80/17/81/1170801781.db2.gz XIUKBKDBNBZNLO-JTQLQIEISA-N 0 3 198.266 0.147 20 0 ACADHN C[C@H]1[C@@H](O)CCN1Cc1cn[nH]c1 1617955509 1170811256 /nfs/dbraw/zinc/81/12/56/1170811256.db2.gz QXGCGFAHGBLJRF-CBAPKCEASA-N 0 3 181.239 0.365 20 0 ACADHN C[C@H]1CCN(CC(=O)NC2(C)CC2)C1 1617539567 1170814080 /nfs/dbraw/zinc/81/40/80/1170814080.db2.gz DWQSZHOYYHDGTC-VIFPVBQESA-N 0 3 196.294 0.997 20 0 ACADHN Cc1[nH]cnc1CC(=O)NC1(C)CC1 1617541477 1170812890 /nfs/dbraw/zinc/81/28/90/1170812890.db2.gz SHZVCQHUDXUIRH-UHFFFAOYSA-N 0 3 193.250 0.929 20 0 ACADHN C[C@@H]1CCN(CC(=O)NC2(C)CC2)C1 1617539566 1170813393 /nfs/dbraw/zinc/81/33/93/1170813393.db2.gz DWQSZHOYYHDGTC-SECBINFHSA-N 0 3 196.294 0.997 20 0 ACADHN C[C@H]1[C@@H](O)CCN1CCF 1617955635 1170814494 /nfs/dbraw/zinc/81/44/94/1170814494.db2.gz VPTCAOVSKJKWND-BQBZGAKWSA-N 0 3 147.193 0.411 20 0 ACADHN CCN1CC[C@H]2COC(=O)N[C@@H]2C1 1619792557 1170816413 /nfs/dbraw/zinc/81/64/13/1170816413.db2.gz YURBQZATOQCYTO-JGVFFNPUSA-N 0 3 184.239 0.437 20 0 ACADHN Cc1nn(C)cc1CN[C@H]1C[C@@H](O)C1 1620973061 1170821103 /nfs/dbraw/zinc/82/11/03/1170821103.db2.gz SHDSNOHYLZWWHJ-AOOOYVTPSA-N 0 3 195.266 0.341 20 0 ACADHN Cc1cc(CN[C@H]2C[C@@H](O)C2)n(C)n1 1620972800 1170822417 /nfs/dbraw/zinc/82/24/17/1170822417.db2.gz KDUXWIKOOJNWCZ-WAAGHKOSSA-N 0 3 195.266 0.341 20 0 ACADHN C[C@@H](O)[C@@H](C)N1CC[C@@H](F)C1 1643161284 1170868059 /nfs/dbraw/zinc/86/80/59/1170868059.db2.gz IHMQCIBWESOTKR-BWZBUEFSSA-N 0 3 161.220 0.800 20 0 ACADHN C[C@@H]([C@@H](C)O)N1CC[C@@H](F)C1 1643161285 1170869729 /nfs/dbraw/zinc/86/97/29/1170869729.db2.gz IHMQCIBWESOTKR-XLPZGREQSA-N 0 3 161.220 0.800 20 0 ACADHN CC[C@H](CNC1(C(N)=O)CC1)OC 1645145884 1170875998 /nfs/dbraw/zinc/87/59/98/1170875998.db2.gz YDPNGYDBFAFVHI-SSDOTTSWSA-N 0 3 186.255 0.019 20 0 ACADHN CC[C@@H](CNC1(C(N)=O)CC1)OC 1645145885 1170876255 /nfs/dbraw/zinc/87/62/55/1170876255.db2.gz YDPNGYDBFAFVHI-ZETCQYMHSA-N 0 3 186.255 0.019 20 0 ACADHN CN(C)C(=O)CN1C[C@H]2CCCC[C@H]21 1647000125 1170880834 /nfs/dbraw/zinc/88/08/34/1170880834.db2.gz GYDKWOFDPKDGQD-NXEZZACHSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@H]1[C@@H](O)CCN1Cc1cnc[nH]1 1645675423 1170882706 /nfs/dbraw/zinc/88/27/06/1170882706.db2.gz NUWXMPSTLPRWGZ-CBAPKCEASA-N 0 3 181.239 0.365 20 0 ACADHN CCc1ncc(CNC[C@H](C)O)cn1 1648701197 1170883853 /nfs/dbraw/zinc/88/38/53/1170883853.db2.gz PLVNDOAENOQNRN-QMMMGPOBSA-N 0 3 195.266 0.509 20 0 ACADHN CO[C@@H]1COC[C@@H]1NCc1cc[nH]c1 1651194275 1170890268 /nfs/dbraw/zinc/89/02/68/1170890268.db2.gz QTHXBGDWLZXTET-VHSXEESVSA-N 0 3 196.250 0.518 20 0 ACADHN c1n[nH]cc1CCN1CCCOCC1 1653223502 1170904525 /nfs/dbraw/zinc/90/45/25/1170904525.db2.gz OEVROKDTPICTIJ-UHFFFAOYSA-N 0 3 195.266 0.675 20 0 ACADHN C[C@@H](O)[C@@H](C)N1CC[C@H](F)C1 1653655343 1170908173 /nfs/dbraw/zinc/90/81/73/1170908173.db2.gz IHMQCIBWESOTKR-PRJMDXOYSA-N 0 3 161.220 0.800 20 0 ACADHN CN(CCCF)C(C)(C)C(N)=O 1653706420 1170909869 /nfs/dbraw/zinc/90/98/69/1170909869.db2.gz GRVQSVHBGQGRJI-UHFFFAOYSA-N 0 3 176.235 0.542 20 0 ACADHN C[C@@H]([C@@H](C)O)N1CC[C@H](F)C1 1653655355 1170911539 /nfs/dbraw/zinc/91/15/39/1170911539.db2.gz IHMQCIBWESOTKR-RNJXMRFFSA-N 0 3 161.220 0.800 20 0 ACADHN C[C@@H]([C@@H](C)O)N1CCc2cn[nH]c2C1 1653846555 1170912250 /nfs/dbraw/zinc/91/22/50/1170912250.db2.gz GKJRCIAGQVSHPC-JGVFFNPUSA-N 0 3 195.266 0.537 20 0 ACADHN C[C@@H](O)[C@@H](C)N1CCc2cn[nH]c2C1 1653846554 1170912800 /nfs/dbraw/zinc/91/28/00/1170912800.db2.gz GKJRCIAGQVSHPC-HTQZYQBOSA-N 0 3 195.266 0.537 20 0 ACADHN C[C@H](O)[C@@H](C)N1CCc2cn[nH]c2C1 1653846556 1170915538 /nfs/dbraw/zinc/91/55/38/1170915538.db2.gz GKJRCIAGQVSHPC-SFYZADRCSA-N 0 3 195.266 0.537 20 0 ACADHN C[C@H](O)[C@H](C)N1CCc2cn[nH]c2C1 1653846557 1170915582 /nfs/dbraw/zinc/91/55/82/1170915582.db2.gz GKJRCIAGQVSHPC-YUMQZZPRSA-N 0 3 195.266 0.537 20 0 ACADHN CN(C)C(=O)[C@@H]1CCN(CCF)C1 1654719631 1170917455 /nfs/dbraw/zinc/91/74/55/1170917455.db2.gz FYSYPYWIZPACIV-MRVPVSSYSA-N 0 3 188.246 0.366 20 0 ACADHN CN(C)C(=O)[C@H]1CCN(CCF)C1 1654719632 1170919768 /nfs/dbraw/zinc/91/97/68/1170919768.db2.gz FYSYPYWIZPACIV-QMMMGPOBSA-N 0 3 188.246 0.366 20 0 ACADHN CC(=O)CN1C[C@H]2CC[C@@H](O)C[C@H]2C1 1655057442 1170920373 /nfs/dbraw/zinc/92/03/73/1170920373.db2.gz LZGGCODYCXRSRC-OUAUKWLOSA-N 0 3 197.278 0.668 20 0 ACADHN CCn1nnc(C)c1CNC1CC1 1655222629 1170921061 /nfs/dbraw/zinc/92/10/61/1170921061.db2.gz ZZXQTEQMPSAWMM-UHFFFAOYSA-N 0 3 180.255 0.858 20 0 ACADHN Cn1cc(CN[C@H]2C[C@@H](O)C2)cn1 1658139370 1170929686 /nfs/dbraw/zinc/92/96/86/1170929686.db2.gz QIHFTPXUIZYBHL-DTORHVGOSA-N 0 3 181.239 0.033 20 0 ACADHN C=Cn1cc(CN[C@H]2C[C@@H](O)C2)cn1 1658139501 1170930049 /nfs/dbraw/zinc/93/00/49/1170930049.db2.gz VNFLXXQFJVFZPY-AOOOYVTPSA-N 0 3 193.250 0.597 20 0 ACADHN Cc1n[nH]cc1CN[C@H]1C[C@@H](O)C1 1657546508 1170930244 /nfs/dbraw/zinc/93/02/44/1170930244.db2.gz HMJSYFFGTMETKT-DTORHVGOSA-N 0 3 181.239 0.331 20 0 ACADHN CO[C@@H](C)CNCc1cccnc1N 1660227273 1170942549 /nfs/dbraw/zinc/94/25/49/1170942549.db2.gz IASJENGTDHGSCQ-QMMMGPOBSA-N 0 3 195.266 0.788 20 0 ACADHN CCc1ncc(CN[C@H](C)CO)cn1 1661116504 1170945767 /nfs/dbraw/zinc/94/57/67/1170945767.db2.gz WHJZVABFNRJONR-MRVPVSSYSA-N 0 3 195.266 0.509 20 0 ACADHN Cc1n[nH]c(C)c1CN[C@H]1C[C@@H](O)C1 1662670615 1170949821 /nfs/dbraw/zinc/94/98/21/1170949821.db2.gz AALXMAPOBPDARJ-DTORHVGOSA-N 0 3 195.266 0.639 20 0 ACADHN CCCC(=O)NCC1CN(CC)C1 1665244657 1170954569 /nfs/dbraw/zinc/95/45/69/1170954569.db2.gz UGCVQAVIEYEYLK-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CN(C)C(=O)N1C[C@H]2CCN(C)[C@H]2C1 1669324852 1170957189 /nfs/dbraw/zinc/95/71/89/1170957189.db2.gz CCOYOMXZBDBROP-BDAKNGLRSA-N 0 3 197.282 0.304 20 0 ACADHN CC[C@@H](CNC(C)=O)NCCF 1698589280 1170961415 /nfs/dbraw/zinc/96/14/15/1170961415.db2.gz BTBCYZQTRLHXJR-QMMMGPOBSA-N 0 3 176.235 0.460 20 0 ACADHN CC[C@H](CNC(C)=O)NCCF 1698589274 1170962466 /nfs/dbraw/zinc/96/24/66/1170962466.db2.gz BTBCYZQTRLHXJR-MRVPVSSYSA-N 0 3 176.235 0.460 20 0 ACADHN CC(=O)NC[C@@H](C)NC/C=C\Cl 1713292688 1170963304 /nfs/dbraw/zinc/96/33/04/1170963304.db2.gz GXXZDTVBVCTBBE-KFOINNEUSA-N 0 3 190.674 0.853 20 0 ACADHN CCN1CC(CNC(=O)C(C)C)C1 1713888632 1170963535 /nfs/dbraw/zinc/96/35/35/1170963535.db2.gz XVINUUORLPLOGB-UHFFFAOYSA-N 0 3 184.283 0.710 20 0 ACADHN CC(=O)NC[C@H](C)NC/C=C\Cl 1713292682 1170963898 /nfs/dbraw/zinc/96/38/98/1170963898.db2.gz GXXZDTVBVCTBBE-AVALRIAPSA-N 0 3 190.674 0.853 20 0 ACADHN CC(=O)NC[C@H](C)NC/C=C/Cl 1713292692 1170964081 /nfs/dbraw/zinc/96/40/81/1170964081.db2.gz GXXZDTVBVCTBBE-SDLBARTOSA-N 0 3 190.674 0.853 20 0 ACADHN CC(=O)NC[C@@H](C)NC/C=C/Cl 1713292690 1170964867 /nfs/dbraw/zinc/96/48/67/1170964867.db2.gz GXXZDTVBVCTBBE-KGGZQZJCSA-N 0 3 190.674 0.853 20 0 ACADHN CCCC(=O)NC[C@@H](C)NCCF 1714202943 1170966191 /nfs/dbraw/zinc/96/61/91/1170966191.db2.gz HNRQXJNVRDKLAQ-MRVPVSSYSA-N 0 3 190.262 0.850 20 0 ACADHN CCCC(=O)NC[C@H](C)NCCF 1714202944 1170966457 /nfs/dbraw/zinc/96/64/57/1170966457.db2.gz HNRQXJNVRDKLAQ-QMMMGPOBSA-N 0 3 190.262 0.850 20 0 ACADHN CCC(=O)N[C@H](C)C1CN(CC)C1 1717543475 1170968758 /nfs/dbraw/zinc/96/87/58/1170968758.db2.gz ZBDKCIXYYZQDOI-MRVPVSSYSA-N 0 3 184.283 0.853 20 0 ACADHN CCC(=O)NC[C@@H]1CCN1C(C)C 1716642052 1170969644 /nfs/dbraw/zinc/96/96/44/1170969644.db2.gz GGBGLXBCJYLHBJ-VIFPVBQESA-N 0 3 184.283 0.995 20 0 ACADHN CCC(=O)NC[C@H]1CCN1C(C)C 1716642051 1170970100 /nfs/dbraw/zinc/97/01/00/1170970100.db2.gz GGBGLXBCJYLHBJ-SECBINFHSA-N 0 3 184.283 0.995 20 0 ACADHN CCC(=O)N[C@@H](C)C1CN(CC)C1 1717543476 1170970477 /nfs/dbraw/zinc/97/04/77/1170970477.db2.gz ZBDKCIXYYZQDOI-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN CC(=O)NCC1(NCCF)CCC1 1724780104 1170971260 /nfs/dbraw/zinc/97/12/60/1170971260.db2.gz MSMMRRVKTJQPIV-UHFFFAOYSA-N 0 3 188.246 0.604 20 0 ACADHN CCC(=O)NC[C@H](C)NCCF 1731574677 1170972698 /nfs/dbraw/zinc/97/26/98/1170972698.db2.gz BVXKACCGYSPOTG-ZETCQYMHSA-N 0 3 176.235 0.460 20 0 ACADHN CCN1CC(CNC(=O)C2(C)CC2)C1 1732126143 1170973869 /nfs/dbraw/zinc/97/38/69/1170973869.db2.gz CJAWMHNORIWSBE-UHFFFAOYSA-N 0 3 196.294 0.854 20 0 ACADHN CCC(=O)NC[C@@H](C)NCCF 1731574676 1170974371 /nfs/dbraw/zinc/97/43/71/1170974371.db2.gz BVXKACCGYSPOTG-SSDOTTSWSA-N 0 3 176.235 0.460 20 0 ACADHN COCCN(C)[C@H](C)CNC(C)=O 1734026110 1170974813 /nfs/dbraw/zinc/97/48/13/1170974813.db2.gz IXSLRYHNOAZFKV-MRVPVSSYSA-N 0 3 188.271 0.089 20 0 ACADHN COCCN(C)[C@@H](C)CNC(C)=O 1734026111 1170976476 /nfs/dbraw/zinc/97/64/76/1170976476.db2.gz IXSLRYHNOAZFKV-QMMMGPOBSA-N 0 3 188.271 0.089 20 0 ACADHN CCN1CC(CNC(=O)CC2CC2)C1 1753396487 1170977310 /nfs/dbraw/zinc/97/73/10/1170977310.db2.gz UNXJJALXLAWKFO-UHFFFAOYSA-N 0 3 196.294 0.854 20 0 ACADHN CC(C)C(=O)N[C@H](C)CNCCF 1754218195 1170977923 /nfs/dbraw/zinc/97/79/23/1170977923.db2.gz ONVSQMHAFFZNST-MRVPVSSYSA-N 0 3 190.262 0.706 20 0 ACADHN CC[C@H](F)CNC[C@@H](C)NC(C)=O 1754215624 1170978050 /nfs/dbraw/zinc/97/80/50/1170978050.db2.gz UVLMDVQXNRSMET-APPZFPTMSA-N 0 3 190.262 0.849 20 0 ACADHN CC[C@@H](F)CNC[C@@H](C)NC(C)=O 1754215625 1170979021 /nfs/dbraw/zinc/97/90/21/1170979021.db2.gz UVLMDVQXNRSMET-VXNVDRBHSA-N 0 3 190.262 0.849 20 0 ACADHN C[C@@]12C[NH2+]C[C@]1(C)CN(CC(=O)[O-])C2 702628060 977098319 /nfs/dbraw/zinc/09/83/19/977098319.db2.gz MXVDUVIPHYILAE-AOOOYVTPSA-N 0 3 198.266 0.002 20 0 ACADHN CN(CCC[NH3+])CCCCC(=O)[O-] 719377128 978000457 /nfs/dbraw/zinc/00/04/57/978000457.db2.gz MZKGOPWCHIUJHB-UHFFFAOYSA-N 0 3 188.271 0.522 20 0 ACADHN C[N@H+](CCCN)CCCCC(=O)[O-] 719377128 978000438 /nfs/dbraw/zinc/00/04/38/978000438.db2.gz MZKGOPWCHIUJHB-UHFFFAOYSA-N 0 3 188.271 0.522 20 0 ACADHN C[N@@H+](CCCN)CCCCC(=O)[O-] 719377128 978000449 /nfs/dbraw/zinc/00/04/49/978000449.db2.gz MZKGOPWCHIUJHB-UHFFFAOYSA-N 0 3 188.271 0.522 20 0 ACADHN C[C@H](C(=O)[O-])N1C[C@@H]([NH3+])C(C)(C)C1 720749888 978061066 /nfs/dbraw/zinc/06/10/66/978061066.db2.gz WLEICCHAMLDYLR-RNFRBKRXSA-N 0 3 186.255 0.129 20 0 ACADHN C[C@@H](C(=O)[O-])N1C[C@@H]([NH3+])C(C)(C)C1 720749885 978061143 /nfs/dbraw/zinc/06/11/43/978061143.db2.gz WLEICCHAMLDYLR-NKWVEPMBSA-N 0 3 186.255 0.129 20 0 ACADHN C[C@@H](C(=O)[O-])N1C[C@H]([NH3+])C(C)(C)C1 720749879 978061200 /nfs/dbraw/zinc/06/12/00/978061200.db2.gz WLEICCHAMLDYLR-BQBZGAKWSA-N 0 3 186.255 0.129 20 0 ACADHN C[C@H](C(=O)[O-])N1C[C@H]([NH3+])C(C)(C)C1 720749892 978061437 /nfs/dbraw/zinc/06/14/37/978061437.db2.gz WLEICCHAMLDYLR-RQJHMYQMSA-N 0 3 186.255 0.129 20 0 ACADHN C[C@@H]([NH3+])CN1CCC[C@H]1CC(=O)[O-] 1592957491 980052056 /nfs/dbraw/zinc/05/20/56/980052056.db2.gz DWKKTELXGNPKSY-SFYZADRCSA-N 0 3 186.255 0.273 20 0 ACADHN C[C@H]([NH3+])CN1CCC[C@@H]1CC(=O)[O-] 1592957490 980052204 /nfs/dbraw/zinc/05/22/04/980052204.db2.gz DWKKTELXGNPKSY-JGVFFNPUSA-N 0 3 186.255 0.273 20 0 ACADHN C[C@@H]([NH3+])CN1CCC[C@@H]1CC(=O)[O-] 1592957489 980052274 /nfs/dbraw/zinc/05/22/74/980052274.db2.gz DWKKTELXGNPKSY-HTQZYQBOSA-N 0 3 186.255 0.273 20 0 ACADHN C[C@H]([NH3+])CN1CCC[C@H]1CC(=O)[O-] 1592957492 980052626 /nfs/dbraw/zinc/05/26/26/980052626.db2.gz DWKKTELXGNPKSY-YUMQZZPRSA-N 0 3 186.255 0.273 20 0 ACADHN CCN(C)Cc1cn[nH]c1 687798435 571679461 /nfs/dbraw/zinc/67/94/61/571679461.db2.gz ASWAATPSHNGIGI-UHFFFAOYSA-N 0 3 139.202 0.861 20 0 ACADHN C[C@H](NCc1cccnn1)[C@@H](C)O 235226194 571684432 /nfs/dbraw/zinc/68/44/32/571684432.db2.gz GYSFOODDRXFNCC-JGVFFNPUSA-N 0 3 181.239 0.336 20 0 ACADHN C[C@H](NCc1ccncn1)[C@@H](C)O 235226233 571687664 /nfs/dbraw/zinc/68/76/64/571687664.db2.gz NBAFKZZCXUZFET-JGVFFNPUSA-N 0 3 181.239 0.336 20 0 ACADHN C[C@@H](O)[C@@H](C)NCc1cccnn1 235233555 571697265 /nfs/dbraw/zinc/69/72/65/571697265.db2.gz GYSFOODDRXFNCC-HTQZYQBOSA-N 0 3 181.239 0.336 20 0 ACADHN C[C@@H](O)[C@@H](C)NCc1ccncn1 235233593 571698429 /nfs/dbraw/zinc/69/84/29/571698429.db2.gz NBAFKZZCXUZFET-HTQZYQBOSA-N 0 3 181.239 0.336 20 0 ACADHN CC[C@@H](COC)NCc1c[nH]cn1 70625224 571702024 /nfs/dbraw/zinc/70/20/24/571702024.db2.gz DTPGNQZSHFNJDD-QMMMGPOBSA-N 0 3 183.255 0.924 20 0 ACADHN CC[C@@H](COC)NCc1cnc[nH]1 70625224 571702025 /nfs/dbraw/zinc/70/20/25/571702025.db2.gz DTPGNQZSHFNJDD-QMMMGPOBSA-N 0 3 183.255 0.924 20 0 ACADHN CC[C@H](COC)NCc1c[nH]cn1 70625225 571702729 /nfs/dbraw/zinc/70/27/29/571702729.db2.gz DTPGNQZSHFNJDD-MRVPVSSYSA-N 0 3 183.255 0.924 20 0 ACADHN CC[C@H](COC)NCc1cnc[nH]1 70625225 571702730 /nfs/dbraw/zinc/70/27/30/571702730.db2.gz DTPGNQZSHFNJDD-MRVPVSSYSA-N 0 3 183.255 0.924 20 0 ACADHN CCNCC(=O)N[C@H](CC)COC 70626165 571703687 /nfs/dbraw/zinc/70/36/87/571703687.db2.gz WHBHQEZSVLXAAG-MRVPVSSYSA-N 0 3 188.271 0.137 20 0 ACADHN CN(Cc1ncc[nH]1)C(=O)C(C)(C)N 70645731 571719630 /nfs/dbraw/zinc/71/96/30/571719630.db2.gz JXRFGNNSTPTAMG-UHFFFAOYSA-N 0 3 196.254 0.105 20 0 ACADHN CC[C@@]1(CN)CCCS1(=O)=O 214169542 571729087 /nfs/dbraw/zinc/72/90/87/571729087.db2.gz YRJLPSBZEDEHLG-ZETCQYMHSA-N 0 3 177.269 0.303 20 0 ACADHN CCNCC(=O)N[C@@H]1CCC[C@@H]1C 70834111 571729296 /nfs/dbraw/zinc/72/92/96/571729296.db2.gz OVDXEHVGWOORGD-DTWKUNHWSA-N 0 3 184.283 0.901 20 0 ACADHN CCNCC(=O)N[C@H]1CCC[C@@H]1C 70834115 571730383 /nfs/dbraw/zinc/73/03/83/571730383.db2.gz OVDXEHVGWOORGD-IUCAKERBSA-N 0 3 184.283 0.901 20 0 ACADHN CCNCC(=O)N[C@@H]1CCC[C@H]1C 70834117 571730839 /nfs/dbraw/zinc/73/08/39/571730839.db2.gz OVDXEHVGWOORGD-RKDXNWHRSA-N 0 3 184.283 0.901 20 0 ACADHN O[C@H](CNCc1c[nH]cn1)C1CC1 70882798 571735408 /nfs/dbraw/zinc/73/54/08/571735408.db2.gz QHKOVGZGBPVVGN-SECBINFHSA-N 0 3 181.239 0.270 20 0 ACADHN O[C@H](CNCc1cnc[nH]1)C1CC1 70882798 571735410 /nfs/dbraw/zinc/73/54/10/571735410.db2.gz QHKOVGZGBPVVGN-SECBINFHSA-N 0 3 181.239 0.270 20 0 ACADHN O[C@@H](CNCc1c[nH]cn1)C1CC1 70882791 571736298 /nfs/dbraw/zinc/73/62/98/571736298.db2.gz QHKOVGZGBPVVGN-VIFPVBQESA-N 0 3 181.239 0.270 20 0 ACADHN O[C@@H](CNCc1cnc[nH]1)C1CC1 70882791 571736301 /nfs/dbraw/zinc/73/63/01/571736301.db2.gz QHKOVGZGBPVVGN-VIFPVBQESA-N 0 3 181.239 0.270 20 0 ACADHN Cc1cccnc1CNC[C@H](C)O 70908626 571738455 /nfs/dbraw/zinc/73/84/55/571738455.db2.gz DEOJDDFMNGMVMM-VIFPVBQESA-N 0 3 180.251 0.860 20 0 ACADHN CC[C@](C)(CO)NCc1c[nH]cn1 70899685 571738744 /nfs/dbraw/zinc/73/87/44/571738744.db2.gz WNYHZQLARANDDI-SECBINFHSA-N 0 3 183.255 0.660 20 0 ACADHN CC[C@](C)(CO)NCc1cnc[nH]1 70899685 571738747 /nfs/dbraw/zinc/73/87/47/571738747.db2.gz WNYHZQLARANDDI-SECBINFHSA-N 0 3 183.255 0.660 20 0 ACADHN Cc1cccnc1CNC[C@@H](C)O 70908620 571738868 /nfs/dbraw/zinc/73/88/68/571738868.db2.gz DEOJDDFMNGMVMM-SECBINFHSA-N 0 3 180.251 0.860 20 0 ACADHN CC[C@@](C)(CO)NCc1c[nH]cn1 70899683 571739083 /nfs/dbraw/zinc/73/90/83/571739083.db2.gz WNYHZQLARANDDI-VIFPVBQESA-N 0 3 183.255 0.660 20 0 ACADHN CC[C@@](C)(CO)NCc1cnc[nH]1 70899683 571739086 /nfs/dbraw/zinc/73/90/86/571739086.db2.gz WNYHZQLARANDDI-VIFPVBQESA-N 0 3 183.255 0.660 20 0 ACADHN CCO[N-]C(=O)C[C@@H]1CCC[C@H]1[NH3+] 393421251 571748272 /nfs/dbraw/zinc/74/82/72/571748272.db2.gz DBPNBMWNDXYWNG-JGVFFNPUSA-N 0 3 186.255 0.572 20 0 ACADHN CC[C@@H](C)C[C@H](N)C(N)=O 83144521 571758307 /nfs/dbraw/zinc/75/83/07/571758307.db2.gz INMLFLYDBXKXKZ-RITPCOANSA-N 0 3 144.218 0.235 20 0 ACADHN CC[C@H](C)C[C@H](N)C(N)=O 83144522 571758479 /nfs/dbraw/zinc/75/84/79/571758479.db2.gz INMLFLYDBXKXKZ-WDSKDSINSA-N 0 3 144.218 0.235 20 0 ACADHN CO[N-]C(=O)CC(C)(C)C[NH3+] 17673357 571765052 /nfs/dbraw/zinc/76/50/52/571765052.db2.gz ZZJJBWAZGJEMBE-UHFFFAOYSA-N 0 3 160.217 0.039 20 0 ACADHN C[C@@H]1CNc2nccn2C1 18554793 571766597 /nfs/dbraw/zinc/76/65/97/571766597.db2.gz QCLDMRCFDBNMQF-ZCFIWIBFSA-N 0 3 137.186 0.945 20 0 ACADHN O[C@@]1(CF)CCNC[C@@H]1F 306923626 571769027 /nfs/dbraw/zinc/76/90/27/571769027.db2.gz GIRUODYPRXWZCI-NTSWFWBYSA-N 0 3 151.156 0.018 20 0 ACADHN C[C@H]1CNc2nccn2C1 18554794 571769280 /nfs/dbraw/zinc/76/92/80/571769280.db2.gz QCLDMRCFDBNMQF-LURJTMIESA-N 0 3 137.186 0.945 20 0 ACADHN Cc1cccnc1CNCCO 71340063 571784956 /nfs/dbraw/zinc/78/49/56/571784956.db2.gz DKXRIWSPMVFAKN-UHFFFAOYSA-N 0 3 166.224 0.472 20 0 ACADHN CC[C@H](O)CN1CCSCC1 37693665 571794922 /nfs/dbraw/zinc/79/49/22/571794922.db2.gz DHZNWXXGZCPVMG-QMMMGPOBSA-N 0 3 175.297 0.806 20 0 ACADHN Cc1nc(SCCN(C)C)n[nH]1 72262973 571798752 /nfs/dbraw/zinc/79/87/52/571798752.db2.gz PBNDZPMXUBWSJA-UHFFFAOYSA-N 0 3 186.284 0.767 20 0 ACADHN Cc1ccnc(NCCN(C)C)n1 61858813 571799100 /nfs/dbraw/zinc/79/91/00/571799100.db2.gz VAYNGTXTACMYKJ-UHFFFAOYSA-N 0 3 180.255 0.759 20 0 ACADHN CCc1nn(C)c2c1CCNC2 107221668 571800695 /nfs/dbraw/zinc/80/06/95/571800695.db2.gz YDLLCTMJPSKDRY-UHFFFAOYSA-N 0 3 165.240 0.628 20 0 ACADHN Cn1nc(C2CC2)c2c1CNCC2 107226261 571801278 /nfs/dbraw/zinc/80/12/78/571801278.db2.gz CVFPXVPOSMFGQU-UHFFFAOYSA-N 0 3 177.251 0.943 20 0 ACADHN Cc1ncc(CNCCO)s1 37797147 571801406 /nfs/dbraw/zinc/80/14/06/571801406.db2.gz HDDDJMUKDBEUCO-UHFFFAOYSA-N 0 3 172.253 0.533 20 0 ACADHN COC(CN1CC[C@@H](OC)C1)OC 234587426 571807413 /nfs/dbraw/zinc/80/74/13/571807413.db2.gz KKMCKADWPCIHIR-MRVPVSSYSA-N 0 3 189.255 0.326 20 0 ACADHN COC(CN1CC[C@H](OC)C1)OC 234587619 571809854 /nfs/dbraw/zinc/80/98/54/571809854.db2.gz KKMCKADWPCIHIR-QMMMGPOBSA-N 0 3 189.255 0.326 20 0 ACADHN CC(C)CNCc1nc[nH]n1 37919155 571816452 /nfs/dbraw/zinc/81/64/52/571816452.db2.gz LBZZPKNJGQPXRQ-UHFFFAOYSA-N 0 3 154.217 0.550 20 0 ACADHN CC(C)CNCc1nnc[nH]1 37919155 571816455 /nfs/dbraw/zinc/81/64/55/571816455.db2.gz LBZZPKNJGQPXRQ-UHFFFAOYSA-N 0 3 154.217 0.550 20 0 ACADHN COC(=O)N(C)CCN1CCCC1 74917682 571818201 /nfs/dbraw/zinc/81/82/01/571818201.db2.gz DKNGUSRXFJXMOQ-UHFFFAOYSA-N 0 3 186.255 0.780 20 0 ACADHN C[C@H](N)C(=O)NCc1cccc(N)c1 169809099 571827515 /nfs/dbraw/zinc/82/75/15/571827515.db2.gz KTRYVALAAZJQOW-ZETCQYMHSA-N 0 3 193.250 0.232 20 0 ACADHN CNCC(=O)NCc1cccc(N)c1 169809509 571828159 /nfs/dbraw/zinc/82/81/59/571828159.db2.gz DJANDWDJDVCIFY-UHFFFAOYSA-N 0 3 193.250 0.104 20 0 ACADHN C[C@@H](N)C(=O)NCc1cccc(N)c1 169809098 571829282 /nfs/dbraw/zinc/82/92/82/571829282.db2.gz KTRYVALAAZJQOW-SSDOTTSWSA-N 0 3 193.250 0.232 20 0 ACADHN C[C@H](O)CCNCc1c[nH]cn1 78780585 571841137 /nfs/dbraw/zinc/84/11/37/571841137.db2.gz TXGMJKJNAKQOBC-ZETCQYMHSA-N 0 3 169.228 0.270 20 0 ACADHN C[C@H](O)CCNCc1cnc[nH]1 78780585 571841141 /nfs/dbraw/zinc/84/11/41/571841141.db2.gz TXGMJKJNAKQOBC-ZETCQYMHSA-N 0 3 169.228 0.270 20 0 ACADHN CN1CC[C@H]1CNCc1cnn(C)c1 712586996 571846852 /nfs/dbraw/zinc/84/68/52/571846852.db2.gz QDWBDSPAEUPPRV-JTQLQIEISA-N 0 3 194.282 0.214 20 0 ACADHN CN1CC[C@@H]1CNCc1cnn(C)c1 712587012 571850189 /nfs/dbraw/zinc/85/01/89/571850189.db2.gz QDWBDSPAEUPPRV-SNVBAGLBSA-N 0 3 194.282 0.214 20 0 ACADHN N=C(N)Nc1nc2c(s1)CCC2 38671938 571855684 /nfs/dbraw/zinc/85/56/84/571855684.db2.gz UAIBRYGHVVYQBK-UHFFFAOYSA-N 0 3 182.252 0.937 20 0 ACADHN N=C(N)NN=Cc1ccc(Cl)nc1 379374354 571862654 /nfs/dbraw/zinc/86/26/54/571862654.db2.gz MSYMJGZLYLDWKF-UHFFFAOYSA-N 0 3 197.629 0.552 20 0 ACADHN CCC[C@H](CN[C@H](C)C(N)=O)OC 393438261 571867858 /nfs/dbraw/zinc/86/78/58/571867858.db2.gz MFRVDZBQWDJPQT-HTQZYQBOSA-N 0 3 188.271 0.265 20 0 ACADHN CCC[C@@H](CN[C@H](C)C(N)=O)OC 393438267 571869269 /nfs/dbraw/zinc/86/92/69/571869269.db2.gz MFRVDZBQWDJPQT-SFYZADRCSA-N 0 3 188.271 0.265 20 0 ACADHN CCn1nncc1CNC1CC1 300750400 571877020 /nfs/dbraw/zinc/87/70/20/571877020.db2.gz GIUWSXDPYPCGTO-UHFFFAOYSA-N 0 3 166.228 0.550 20 0 ACADHN C[C@@H](CCCO)NCc1cc[nH]n1 87358390 571881168 /nfs/dbraw/zinc/88/11/68/571881168.db2.gz VWUHSENZGBBCTG-QMMMGPOBSA-N 0 3 183.255 0.660 20 0 ACADHN CSCCCN(C)C[C@H](O)CO 300754288 571880716 /nfs/dbraw/zinc/88/07/16/571880716.db2.gz IVJHGEFJSRTZKJ-QMMMGPOBSA-N 0 3 193.312 0.025 20 0 ACADHN C[C@H](CCCO)NCc1cc[nH]n1 87358391 571882720 /nfs/dbraw/zinc/88/27/20/571882720.db2.gz VWUHSENZGBBCTG-MRVPVSSYSA-N 0 3 183.255 0.660 20 0 ACADHN C[C@H](CCCO)NCc1ncc[nH]1 87358279 571883061 /nfs/dbraw/zinc/88/30/61/571883061.db2.gz DDHWGPOOZNNINU-MRVPVSSYSA-N 0 3 183.255 0.660 20 0 ACADHN C[C@@H](CCCO)NCc1ncc[nH]1 87358278 571883200 /nfs/dbraw/zinc/88/32/00/571883200.db2.gz DDHWGPOOZNNINU-QMMMGPOBSA-N 0 3 183.255 0.660 20 0 ACADHN C[C@H](N)C(=O)NCC[C@@H]1C[C@H]1C1CC1 712649849 571888681 /nfs/dbraw/zinc/88/86/81/571888681.db2.gz FXYAYDAGJNTFSJ-SFGNSQDASA-N 0 3 196.294 0.886 20 0 ACADHN C[C@@H](N)C(=O)NCC[C@@H]1C[C@H]1C1CC1 712649845 571890233 /nfs/dbraw/zinc/89/02/33/571890233.db2.gz FXYAYDAGJNTFSJ-QNSHHTMESA-N 0 3 196.294 0.886 20 0 ACADHN CC[C@@](C)(O)COC1CNC1 233955336 571894918 /nfs/dbraw/zinc/89/49/18/571894918.db2.gz UNCDBAJIHPQXJC-MRVPVSSYSA-N 0 3 159.229 0.136 20 0 ACADHN CCN1CCc2ncncc2C1 147943353 571905190 /nfs/dbraw/zinc/90/51/90/571905190.db2.gz AWPYISHSXLAKAO-UHFFFAOYSA-N 0 3 163.224 0.855 20 0 ACADHN CC(C)=CC(=O)N(C)CCN(C)C 300766996 571905443 /nfs/dbraw/zinc/90/54/43/571905443.db2.gz UGVWFGDQFWSZPP-UHFFFAOYSA-N 0 3 184.283 0.973 20 0 ACADHN CC(C)N1CCCNC(=O)C1 39193232 571907480 /nfs/dbraw/zinc/90/74/80/571907480.db2.gz GEIBVLHBEDMOTA-UHFFFAOYSA-N 0 3 156.229 0.217 20 0 ACADHN C[C@H](CNC(=O)C(F)F)N(C)C 235461535 571916538 /nfs/dbraw/zinc/91/65/38/571916538.db2.gz KSMZJJVYRGAXTR-RXMQYKEDSA-N 0 3 180.198 0.318 20 0 ACADHN CC(C)[C@H]([NH3+])CCN(C)CC(=O)[O-] 227736060 571927462 /nfs/dbraw/zinc/92/74/62/571927462.db2.gz JNLNYGWFVWFLFA-MRVPVSSYSA-N 0 3 188.271 0.376 20 0 ACADHN C[C@H](CC(N)=O)NC/C=C/Cl 235501661 571935264 /nfs/dbraw/zinc/93/52/64/571935264.db2.gz RGYMNSUOHQPSKK-YRFDSLTASA-N 0 3 176.647 0.592 20 0 ACADHN C[C@H](NCCCCO)c1cnccn1 235514304 571940572 /nfs/dbraw/zinc/94/05/72/571940572.db2.gz BGBSVYJQHXIJLZ-VIFPVBQESA-N 0 3 195.266 0.900 20 0 ACADHN CCC(F)(F)C(=O)[N-][C@@H]1CC[NH2+]C1 205326628 571948654 /nfs/dbraw/zinc/94/86/54/571948654.db2.gz GAOOMAGQPVOUPW-ZCFIWIBFSA-N 0 3 192.209 0.510 20 0 ACADHN CC(C)(N)C(=O)N[C@@H]1CC12CC2 335277308 571947678 /nfs/dbraw/zinc/94/76/78/571947678.db2.gz NMUIMJFREQQIJY-ZCFIWIBFSA-N 0 3 168.240 0.392 20 0 ACADHN CCC(F)(F)C(=O)[N-][C@H]1CC[NH2+]C1 205326643 571950171 /nfs/dbraw/zinc/95/01/71/571950171.db2.gz GAOOMAGQPVOUPW-LURJTMIESA-N 0 3 192.209 0.510 20 0 ACADHN CN(CC(=O)[O-])C1C[C@@H]2CC[C@H](C1)[NH2+]2 40747102 571961196 /nfs/dbraw/zinc/96/11/96/571961196.db2.gz LZPURHNHVVEETP-JVHMLUBASA-N 0 3 198.266 0.286 20 0 ACADHN COC(=O)C[C@H]1CNCC(C)(C)O1 687762056 571964405 /nfs/dbraw/zinc/96/44/05/571964405.db2.gz OQUPZTYVRPLLSC-ZETCQYMHSA-N 0 3 187.239 0.317 20 0 ACADHN COC(=O)C[C@@H]1CNCC(C)(C)O1 687762055 571965295 /nfs/dbraw/zinc/96/52/95/571965295.db2.gz OQUPZTYVRPLLSC-SSDOTTSWSA-N 0 3 187.239 0.317 20 0 ACADHN Cc1nc(C)c(CNCCO)s1 80692900 571967511 /nfs/dbraw/zinc/96/75/11/571967511.db2.gz PHDNNYYGFCCBMU-UHFFFAOYSA-N 0 3 186.280 0.842 20 0 ACADHN CC1(C)NCCCO1 32218593 571971540 /nfs/dbraw/zinc/97/15/40/571971540.db2.gz SZIXSHHJKNYJGQ-UHFFFAOYSA-N 0 3 115.176 0.732 20 0 ACADHN OCCOCCN1CC[C@H](CF)C1 711450171 571972025 /nfs/dbraw/zinc/97/20/25/571972025.db2.gz AHBLNQCIRICUFM-SECBINFHSA-N 0 3 191.246 0.287 20 0 ACADHN CNc1ccccc1CNCCO 234479139 571977093 /nfs/dbraw/zinc/97/70/93/571977093.db2.gz MTBIPWAFRPXGRX-UHFFFAOYSA-N 0 3 180.251 0.810 20 0 ACADHN CCc1n[nH]c2c1CCNC2 24731259 571988349 /nfs/dbraw/zinc/98/83/49/571988349.db2.gz LVAVIFAXGVEQMZ-UHFFFAOYSA-N 0 3 151.213 0.618 20 0 ACADHN CCc1[nH]nc2c1CCNC2 24731259 571988351 /nfs/dbraw/zinc/98/83/51/571988351.db2.gz LVAVIFAXGVEQMZ-UHFFFAOYSA-N 0 3 151.213 0.618 20 0 ACADHN CCNC(=S)NCCN(C)C 13765485 571989350 /nfs/dbraw/zinc/98/93/50/571989350.db2.gz QLLLITOPPPZHGT-UHFFFAOYSA-N 0 3 175.301 0.032 20 0 ACADHN CCNCC(=O)N[C@H](C)CCOC 81711996 571991067 /nfs/dbraw/zinc/99/10/67/571991067.db2.gz ZTGKUTYJKXIAEJ-MRVPVSSYSA-N 0 3 188.271 0.137 20 0 ACADHN CCNCC(=O)N[C@@H](C)CCOC 81711992 571991375 /nfs/dbraw/zinc/99/13/75/571991375.db2.gz ZTGKUTYJKXIAEJ-QMMMGPOBSA-N 0 3 188.271 0.137 20 0 ACADHN COCC[C@H](C)NCc1cnccn1 81709093 571991590 /nfs/dbraw/zinc/99/15/90/571991590.db2.gz JTXREZITLYZTLR-VIFPVBQESA-N 0 3 195.266 0.991 20 0 ACADHN COCC[C@@H](C)NCc1cnccn1 81709095 571992082 /nfs/dbraw/zinc/99/20/82/571992082.db2.gz JTXREZITLYZTLR-SECBINFHSA-N 0 3 195.266 0.991 20 0 ACADHN C[C@H](O)[C@H](C)NCc1cccnn1 235561470 571992545 /nfs/dbraw/zinc/99/25/45/571992545.db2.gz GYSFOODDRXFNCC-YUMQZZPRSA-N 0 3 181.239 0.336 20 0 ACADHN C[C@H](O)[C@@H](C)NCc1ccncn1 235568350 571995636 /nfs/dbraw/zinc/99/56/36/571995636.db2.gz NBAFKZZCXUZFET-SFYZADRCSA-N 0 3 181.239 0.336 20 0 ACADHN C[C@H](O)[C@@H](C)NCc1cccnn1 235568310 571995757 /nfs/dbraw/zinc/99/57/57/571995757.db2.gz GYSFOODDRXFNCC-SFYZADRCSA-N 0 3 181.239 0.336 20 0 ACADHN CC(C)[C@H](O)Cn1cc([C@H](C)N)nn1 300870114 571998632 /nfs/dbraw/zinc/99/86/32/571998632.db2.gz KPEDKQCQKBASIJ-IONNQARKSA-N 0 3 198.270 0.315 20 0 ACADHN CC(C)[C@@H](O)Cn1cc([C@H](C)N)nn1 300870113 571998692 /nfs/dbraw/zinc/99/86/92/571998692.db2.gz KPEDKQCQKBASIJ-CBAPKCEASA-N 0 3 198.270 0.315 20 0 ACADHN CCNCC(=O)Nc1ccn(CC)n1 300877254 571999088 /nfs/dbraw/zinc/99/90/88/571999088.db2.gz LZQYBPPFHWUEER-UHFFFAOYSA-N 0 3 196.254 0.451 20 0 ACADHN CC(C)[C@H](O)Cn1cc([C@@H](C)N)nn1 300870115 571999140 /nfs/dbraw/zinc/99/91/40/571999140.db2.gz KPEDKQCQKBASIJ-VXNVDRBHSA-N 0 3 198.270 0.315 20 0 ACADHN CC(C)[C@@H](O)Cn1cc([C@@H](C)N)nn1 300870112 571999480 /nfs/dbraw/zinc/99/94/80/571999480.db2.gz KPEDKQCQKBASIJ-APPZFPTMSA-N 0 3 198.270 0.315 20 0 ACADHN CCNCC(=O)N(CC)CC1CC1 68947103 572001295 /nfs/dbraw/zinc/00/12/95/572001295.db2.gz NKBNYGKVQJPFHJ-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CCN1CCC[C@@H]1CNC(=O)OC 82346378 572017964 /nfs/dbraw/zinc/01/79/64/572017964.db2.gz XBSLPKFHLFGMHH-MRVPVSSYSA-N 0 3 186.255 0.827 20 0 ACADHN CCNCC(=O)NCCCSC 69013918 572020971 /nfs/dbraw/zinc/02/09/71/572020971.db2.gz MASHVTVAQXOPOJ-UHFFFAOYSA-N 0 3 190.312 0.465 20 0 ACADHN CCNCC(=O)NCCSC 69013628 572021813 /nfs/dbraw/zinc/02/18/13/572021813.db2.gz DKLGTNGEHBFPCA-UHFFFAOYSA-N 0 3 176.285 0.075 20 0 ACADHN COCC[C@@H](C)NCc1cnc[nH]1 82394893 572024916 /nfs/dbraw/zinc/02/49/16/572024916.db2.gz RDUFZRSNUKKMLP-MRVPVSSYSA-N 0 3 183.255 0.924 20 0 ACADHN COCC[C@@H](C)NCc1c[nH]cn1 82394893 572024913 /nfs/dbraw/zinc/02/49/13/572024913.db2.gz RDUFZRSNUKKMLP-MRVPVSSYSA-N 0 3 183.255 0.924 20 0 ACADHN Cc1nnc(CNCC(C)C)n1C 35695760 572032363 /nfs/dbraw/zinc/03/23/63/572032363.db2.gz INFGGGQLXQSXGX-UHFFFAOYSA-N 0 3 182.271 0.869 20 0 ACADHN CC(C)[N@H+](CCCN)CC(=O)[O-] 82505194 572034510 /nfs/dbraw/zinc/03/45/10/572034510.db2.gz AVJJTHKRJZLNAR-UHFFFAOYSA-N 0 3 174.244 0.130 20 0 ACADHN CC(C)[N@@H+](CCCN)CC(=O)[O-] 82505194 572034513 /nfs/dbraw/zinc/03/45/13/572034513.db2.gz AVJJTHKRJZLNAR-UHFFFAOYSA-N 0 3 174.244 0.130 20 0 ACADHN C[C@]1(C(=O)[O-])CC[N@H+](CCCN)C1 82505435 572035441 /nfs/dbraw/zinc/03/54/41/572035441.db2.gz RSBOIYPTYRSMCN-VIFPVBQESA-N 0 3 186.255 0.132 20 0 ACADHN C[C@]1(C(=O)[O-])CC[N@@H+](CCCN)C1 82505435 572035443 /nfs/dbraw/zinc/03/54/43/572035443.db2.gz RSBOIYPTYRSMCN-VIFPVBQESA-N 0 3 186.255 0.132 20 0 ACADHN NCCC[N@@H+]1CCC[C@@H]1CC(=O)[O-] 82508052 572035687 /nfs/dbraw/zinc/03/56/87/572035687.db2.gz ZHZBUDLACOFQAX-MRVPVSSYSA-N 0 3 186.255 0.274 20 0 ACADHN NCCC[N@H+]1CCC[C@@H]1CC(=O)[O-] 82508052 572035688 /nfs/dbraw/zinc/03/56/88/572035688.db2.gz ZHZBUDLACOFQAX-MRVPVSSYSA-N 0 3 186.255 0.274 20 0 ACADHN C[N@H+](CCCN)CCCC(=O)[O-] 82505245 572035761 /nfs/dbraw/zinc/03/57/61/572035761.db2.gz USUARTRMPYOKIN-UHFFFAOYSA-N 0 3 174.244 0.132 20 0 ACADHN C[N@@H+](CCCN)CCCC(=O)[O-] 82505245 572035763 /nfs/dbraw/zinc/03/57/63/572035763.db2.gz USUARTRMPYOKIN-UHFFFAOYSA-N 0 3 174.244 0.132 20 0 ACADHN CN(CCC[NH3+])CCCC(=O)[O-] 82505245 572035765 /nfs/dbraw/zinc/03/57/65/572035765.db2.gz USUARTRMPYOKIN-UHFFFAOYSA-N 0 3 174.244 0.132 20 0 ACADHN CC(C)[N@H+](CCCN)CCC(=O)[O-] 82505197 572036403 /nfs/dbraw/zinc/03/64/03/572036403.db2.gz QEYYQITVONWLCE-UHFFFAOYSA-N 0 3 188.271 0.520 20 0 ACADHN CC(C)[N@@H+](CCCN)CCC(=O)[O-] 82505197 572036406 /nfs/dbraw/zinc/03/64/06/572036406.db2.gz QEYYQITVONWLCE-UHFFFAOYSA-N 0 3 188.271 0.520 20 0 ACADHN c1nc(CNC[C@H]2CCCOC2)n[nH]1 82581104 572061229 /nfs/dbraw/zinc/06/12/29/572061229.db2.gz STUKNOCCHVPSTA-MRVPVSSYSA-N 0 3 196.254 0.321 20 0 ACADHN c1nnc(CNC[C@H]2CCCOC2)[nH]1 82581104 572061232 /nfs/dbraw/zinc/06/12/32/572061232.db2.gz STUKNOCCHVPSTA-MRVPVSSYSA-N 0 3 196.254 0.321 20 0 ACADHN C[C@@H](N)c1cn(CCOC2CC2)nn1 711658858 572062254 /nfs/dbraw/zinc/06/22/54/572062254.db2.gz URTBOKMTTZBRCA-SSDOTTSWSA-N 0 3 196.254 0.477 20 0 ACADHN C[C@H](N)c1cn(CCOC2CC2)nn1 711658860 572063614 /nfs/dbraw/zinc/06/36/14/572063614.db2.gz URTBOKMTTZBRCA-ZETCQYMHSA-N 0 3 196.254 0.477 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)C(F)F 235097778 572065182 /nfs/dbraw/zinc/06/51/82/572065182.db2.gz RMIYJCJMSWDSBU-YFKPBYRVSA-N 0 3 180.198 0.318 20 0 ACADHN CNCC(=O)NCc1ccc(C)n1C 36810626 572065967 /nfs/dbraw/zinc/06/59/67/572065967.db2.gz AWTOINBNYIVGJP-UHFFFAOYSA-N 0 3 195.266 0.169 20 0 ACADHN CC[C@H]1NCCCO1 34236425 572066559 /nfs/dbraw/zinc/06/65/59/572066559.db2.gz UALFXSSRCZUJJO-LURJTMIESA-N 0 3 115.176 0.732 20 0 ACADHN CC[C@@H]1NCCCO1 34236424 572068219 /nfs/dbraw/zinc/06/82/19/572068219.db2.gz UALFXSSRCZUJJO-ZCFIWIBFSA-N 0 3 115.176 0.732 20 0 ACADHN CC[C@@H](N)C(=O)N(CC)C(C)C 36871608 572068905 /nfs/dbraw/zinc/06/89/05/572068905.db2.gz VGCUSUGQYDSUJK-MRVPVSSYSA-N 0 3 172.272 0.981 20 0 ACADHN CC[C@H](N)C(=O)N(CC)C(C)C 36871607 572070628 /nfs/dbraw/zinc/07/06/28/572070628.db2.gz VGCUSUGQYDSUJK-QMMMGPOBSA-N 0 3 172.272 0.981 20 0 ACADHN C[C@@H](CN(C)C)NCc1cn(C)cn1 235113049 572079314 /nfs/dbraw/zinc/07/93/14/572079314.db2.gz BYXAKJIIQPMEBY-VIFPVBQESA-N 0 3 196.298 0.460 20 0 ACADHN OCC[C@@H]1NCCS1 34434333 572080603 /nfs/dbraw/zinc/08/06/03/572080603.db2.gz QVTWJRBSQNKYJE-RXMQYKEDSA-N 0 3 133.216 0.031 20 0 ACADHN CCN1CC=C(CNC(C)=O)CC1 34436448 572080789 /nfs/dbraw/zinc/08/07/89/572080789.db2.gz XUUWZYXUEFDFLD-UHFFFAOYSA-N 0 3 182.267 0.775 20 0 ACADHN OCC[C@H]1NCCS1 34434335 572080945 /nfs/dbraw/zinc/08/09/45/572080945.db2.gz QVTWJRBSQNKYJE-YFKPBYRVSA-N 0 3 133.216 0.031 20 0 ACADHN CC[C@@](C)(O)CNCc1c[nH]cn1 82687178 572084176 /nfs/dbraw/zinc/08/41/76/572084176.db2.gz CCBJDWQGIGZSAO-SECBINFHSA-N 0 3 183.255 0.660 20 0 ACADHN CC[C@@](C)(O)CNCc1cnc[nH]1 82687178 572084178 /nfs/dbraw/zinc/08/41/78/572084178.db2.gz CCBJDWQGIGZSAO-SECBINFHSA-N 0 3 183.255 0.660 20 0 ACADHN CC(C)(O)CNCc1c[nH]cn1 82687387 572084237 /nfs/dbraw/zinc/08/42/37/572084237.db2.gz JBBUPOVEHGNEQA-UHFFFAOYSA-N 0 3 169.228 0.270 20 0 ACADHN CC(C)(O)CNCc1cnc[nH]1 82687387 572084240 /nfs/dbraw/zinc/08/42/40/572084240.db2.gz JBBUPOVEHGNEQA-UHFFFAOYSA-N 0 3 169.228 0.270 20 0 ACADHN C[C@H](NCc1c[nH]cn1)C(C)(C)O 82717467 572085237 /nfs/dbraw/zinc/08/52/37/572085237.db2.gz NROOAVFHWMIMHY-ZETCQYMHSA-N 0 3 183.255 0.659 20 0 ACADHN C[C@H](NCc1cnc[nH]1)C(C)(C)O 82717467 572085240 /nfs/dbraw/zinc/08/52/40/572085240.db2.gz NROOAVFHWMIMHY-ZETCQYMHSA-N 0 3 183.255 0.659 20 0 ACADHN CC[C@](C)(O)CNCc1c[nH]cn1 82687177 572085044 /nfs/dbraw/zinc/08/50/44/572085044.db2.gz CCBJDWQGIGZSAO-VIFPVBQESA-N 0 3 183.255 0.660 20 0 ACADHN CC[C@](C)(O)CNCc1cnc[nH]1 82687177 572085046 /nfs/dbraw/zinc/08/50/46/572085046.db2.gz CCBJDWQGIGZSAO-VIFPVBQESA-N 0 3 183.255 0.660 20 0 ACADHN CCCN(C(=O)CN)C(C)C 37096245 572089230 /nfs/dbraw/zinc/08/92/30/572089230.db2.gz GOMGFMUHHGEQNG-UHFFFAOYSA-N 0 3 158.245 0.592 20 0 ACADHN Cc1csc([C@H](O)CN)n1 20438719 572104537 /nfs/dbraw/zinc/10/45/37/572104537.db2.gz FEWMXCQUFLMQBW-RXMQYKEDSA-N 0 3 158.226 0.444 20 0 ACADHN CC(C)CNCc1cnn(C)n1 393339294 572113368 /nfs/dbraw/zinc/11/33/68/572113368.db2.gz SYTAHMSAOMBEAX-UHFFFAOYSA-N 0 3 168.244 0.561 20 0 ACADHN C[C@H]1CN(CCOC2CC2)CC[C@@H]1O 711777910 572118354 /nfs/dbraw/zinc/11/83/54/572118354.db2.gz WWSRTHPHSBHYEJ-ONGXEEELSA-N 0 3 199.294 0.868 20 0 ACADHN CC[C@H](C)NCCS(=O)(=O)CC 37370396 572118513 /nfs/dbraw/zinc/11/85/13/572118513.db2.gz LOGOJZGUZFEROH-QMMMGPOBSA-N 0 3 193.312 0.809 20 0 ACADHN CCCCNCCS(=O)(=O)CC 37370790 572118706 /nfs/dbraw/zinc/11/87/06/572118706.db2.gz KMTDFSFTPCSFEC-UHFFFAOYSA-N 0 3 193.312 0.811 20 0 ACADHN CCS(=O)(=O)CCNC(C)C 37370381 572118975 /nfs/dbraw/zinc/11/89/75/572118975.db2.gz XPCQWVQAEAVZOK-UHFFFAOYSA-N 0 3 179.285 0.419 20 0 ACADHN CCS(=O)(=O)CCNCC1CC1 37370400 572119129 /nfs/dbraw/zinc/11/91/29/572119129.db2.gz ORTWDQFFHAJJQB-UHFFFAOYSA-N 0 3 191.296 0.421 20 0 ACADHN C[C@@H]1CN(CCOC2CC2)CC[C@@H]1O 711777908 572120364 /nfs/dbraw/zinc/12/03/64/572120364.db2.gz WWSRTHPHSBHYEJ-KOLCDFICSA-N 0 3 199.294 0.868 20 0 ACADHN CC[C@@H](C)NCCS(=O)(=O)CC 37370395 572120847 /nfs/dbraw/zinc/12/08/47/572120847.db2.gz LOGOJZGUZFEROH-MRVPVSSYSA-N 0 3 193.312 0.809 20 0 ACADHN C[C@@H]1CN(CCOC2CC2)CC[C@H]1O 711777909 572120924 /nfs/dbraw/zinc/12/09/24/572120924.db2.gz WWSRTHPHSBHYEJ-MWLCHTKSSA-N 0 3 199.294 0.868 20 0 ACADHN COC(=O)/C(C)=C\CN(C)C 214611238 572123339 /nfs/dbraw/zinc/12/33/39/572123339.db2.gz PIVSHEPPRKOSSW-ALCCZGGFSA-N 0 3 157.213 0.667 20 0 ACADHN C[C@@H](CNC(=O)C(F)F)N(C)C 235149749 572128778 /nfs/dbraw/zinc/12/87/78/572128778.db2.gz KSMZJJVYRGAXTR-YFKPBYRVSA-N 0 3 180.198 0.318 20 0 ACADHN NCC[C@@H]1CCCC[N@@H+]1CC(=O)[O-] 69721035 572136139 /nfs/dbraw/zinc/13/61/39/572136139.db2.gz REVADRQLSSLRGX-QMMMGPOBSA-N 0 3 186.255 0.274 20 0 ACADHN NCC[C@@H]1CCCC[N@H+]1CC(=O)[O-] 69721035 572136141 /nfs/dbraw/zinc/13/61/41/572136141.db2.gz REVADRQLSSLRGX-QMMMGPOBSA-N 0 3 186.255 0.274 20 0 ACADHN NCC[C@H]1CCCC[N@@H+]1CC(=O)[O-] 69721038 572136407 /nfs/dbraw/zinc/13/64/07/572136407.db2.gz REVADRQLSSLRGX-MRVPVSSYSA-N 0 3 186.255 0.274 20 0 ACADHN NCC[C@H]1CCCC[N@H+]1CC(=O)[O-] 69721038 572136411 /nfs/dbraw/zinc/13/64/11/572136411.db2.gz REVADRQLSSLRGX-MRVPVSSYSA-N 0 3 186.255 0.274 20 0 ACADHN CCNCC(=O)N(C)c1cccnc1 69764134 572144299 /nfs/dbraw/zinc/14/42/99/572144299.db2.gz VPFNUTALINAAJU-UHFFFAOYSA-N 0 3 193.250 0.654 20 0 ACADHN CCN(C(=O)CNC1CC1)C(C)C 37476932 572146087 /nfs/dbraw/zinc/14/60/87/572146087.db2.gz DTBYDTHIQYHZAK-UHFFFAOYSA-N 0 3 184.283 0.995 20 0 ACADHN CCCC[C@H](N)C(=O)NCCCO 37480549 572155062 /nfs/dbraw/zinc/15/50/62/572155062.db2.gz NYEQXAJYBRMPCF-QMMMGPOBSA-N 0 3 188.271 0.003 20 0 ACADHN CCCC[C@H](N)C(=O)N[C@H](C)CO 37480623 572154432 /nfs/dbraw/zinc/15/44/32/572154432.db2.gz KEMDVZLTJOWERD-SFYZADRCSA-N 0 3 188.271 0.001 20 0 ACADHN CCCC[C@@H](N)C(=O)N[C@H](C)CO 37480624 572154506 /nfs/dbraw/zinc/15/45/06/572154506.db2.gz KEMDVZLTJOWERD-HTQZYQBOSA-N 0 3 188.271 0.001 20 0 ACADHN CCCC[C@@H](N)C(=O)N[C@@H](C)CO 37480622 572155340 /nfs/dbraw/zinc/15/53/40/572155340.db2.gz KEMDVZLTJOWERD-JGVFFNPUSA-N 0 3 188.271 0.001 20 0 ACADHN CCCC[C@H](N)C(=O)NC[C@H](C)O 37480619 572155082 /nfs/dbraw/zinc/15/50/82/572155082.db2.gz OCCFZUWDAJBAIQ-YUMQZZPRSA-N 0 3 188.271 0.001 20 0 ACADHN CCCC[C@H](N)C(=O)N(C)CC 37480557 572155106 /nfs/dbraw/zinc/15/51/06/572155106.db2.gz ZGQCEUMMNBNGJI-QMMMGPOBSA-N 0 3 172.272 0.982 20 0 ACADHN CCCC[C@H](N)C(=O)NC[C@@H](C)O 37480617 572155230 /nfs/dbraw/zinc/15/52/30/572155230.db2.gz OCCFZUWDAJBAIQ-SFYZADRCSA-N 0 3 188.271 0.001 20 0 ACADHN CCCC[C@@H](N)C(=O)N(C)CC 37480558 572155348 /nfs/dbraw/zinc/15/53/48/572155348.db2.gz ZGQCEUMMNBNGJI-MRVPVSSYSA-N 0 3 172.272 0.982 20 0 ACADHN CCCC[C@H](N)C(=O)N[C@@H](C)CO 37480621 572155440 /nfs/dbraw/zinc/15/54/40/572155440.db2.gz KEMDVZLTJOWERD-YUMQZZPRSA-N 0 3 188.271 0.001 20 0 ACADHN CCCC[C@@H](N)C(=O)NC[C@@H](C)O 37480618 572155453 /nfs/dbraw/zinc/15/54/53/572155453.db2.gz OCCFZUWDAJBAIQ-HTQZYQBOSA-N 0 3 188.271 0.001 20 0 ACADHN CCCC[C@@H](N)C(=O)NC[C@H](C)O 37480620 572155795 /nfs/dbraw/zinc/15/57/95/572155795.db2.gz OCCFZUWDAJBAIQ-JGVFFNPUSA-N 0 3 188.271 0.001 20 0 ACADHN CCCC[C@@H](N)C(=O)NCCCO 37480550 572157098 /nfs/dbraw/zinc/15/70/98/572157098.db2.gz NYEQXAJYBRMPCF-MRVPVSSYSA-N 0 3 188.271 0.003 20 0 ACADHN CCC[C@@](C)(N)C(=O)NCCCO 37481332 572159204 /nfs/dbraw/zinc/15/92/04/572159204.db2.gz UFTZTEHMQFRZQE-SECBINFHSA-N 0 3 188.271 0.003 20 0 ACADHN CCC[C@](C)(N)C(=O)NCCCO 37481331 572160618 /nfs/dbraw/zinc/16/06/18/572160618.db2.gz UFTZTEHMQFRZQE-VIFPVBQESA-N 0 3 188.271 0.003 20 0 ACADHN CC[C@H](C)NCCS(C)(=O)=O 37491416 572162095 /nfs/dbraw/zinc/16/20/95/572162095.db2.gz YATZFMNZNFNXMF-ZETCQYMHSA-N 0 3 179.285 0.419 20 0 ACADHN CC(C)CCNCCS(C)(=O)=O 37489561 572162587 /nfs/dbraw/zinc/16/25/87/572162587.db2.gz LALNCNRKANFQHN-UHFFFAOYSA-N 0 3 193.312 0.667 20 0 ACADHN CCCCNCCS(C)(=O)=O 37489560 572163507 /nfs/dbraw/zinc/16/35/07/572163507.db2.gz WFEKALOWXQALJM-UHFFFAOYSA-N 0 3 179.285 0.421 20 0 ACADHN C[C@@H](CC(N)=O)NC/C=C/Cl 235163478 572172823 /nfs/dbraw/zinc/17/28/23/572172823.db2.gz RGYMNSUOHQPSKK-SZKDQXIBSA-N 0 3 176.647 0.592 20 0 ACADHN CCCNC(=O)CNCC 19276079 572181566 /nfs/dbraw/zinc/18/15/66/572181566.db2.gz SPVZIEKVFWHFFX-UHFFFAOYSA-N 0 3 144.218 0.122 20 0 ACADHN c1cncc(OC[C@H]2CNCCO2)c1 35863415 572186902 /nfs/dbraw/zinc/18/69/02/572186902.db2.gz QGKGVQBHCJUKSU-SNVBAGLBSA-N 0 3 194.234 0.449 20 0 ACADHN CCCN1C[C@H](CN)OC1=O 19668843 572190123 /nfs/dbraw/zinc/19/01/23/572190123.db2.gz MPJYNGDBNSZXAY-LURJTMIESA-N 0 3 158.201 0.176 20 0 ACADHN Cc1ncc(CNC[C@H](C)O)s1 37797175 572193035 /nfs/dbraw/zinc/19/30/35/572193035.db2.gz UUTSGNADEQHYQV-LURJTMIESA-N 0 3 186.280 0.922 20 0 ACADHN Cc1ncc(CN[C@H](C)CO)s1 37797177 572193504 /nfs/dbraw/zinc/19/35/04/572193504.db2.gz CAVSJZGMQASLFP-ZCFIWIBFSA-N 0 3 186.280 0.922 20 0 ACADHN Cc1ncc(CNC[C@@H](C)O)s1 37797174 572194612 /nfs/dbraw/zinc/19/46/12/572194612.db2.gz UUTSGNADEQHYQV-ZCFIWIBFSA-N 0 3 186.280 0.922 20 0 ACADHN CO[N-]C(=O)CCC1CC[NH2+]CC1 83116505 572193566 /nfs/dbraw/zinc/19/35/66/572193566.db2.gz BPNKOBCLYXZKIG-UHFFFAOYSA-N 0 3 186.255 0.444 20 0 ACADHN CC(=O)NCCNCCC(F)(F)F 70205505 572193738 /nfs/dbraw/zinc/19/37/38/572193738.db2.gz MFIZNXPUQZQGMZ-UHFFFAOYSA-N 0 3 198.188 0.665 20 0 ACADHN Cc1noc(C)c1CN(C)C(=O)CN 37819129 572193902 /nfs/dbraw/zinc/19/39/02/572193902.db2.gz GMFYQCCAQIYGMR-UHFFFAOYSA-N 0 3 197.238 0.209 20 0 ACADHN CONC(=O)C[C@H](N)c1ccccc1 83116381 572195025 /nfs/dbraw/zinc/19/50/25/572195025.db2.gz FXHIWYWIWDJWIV-VIFPVBQESA-N 0 3 194.234 0.754 20 0 ACADHN Cc1ncc(CN[C@@H](C)CO)s1 37797176 572194693 /nfs/dbraw/zinc/19/46/93/572194693.db2.gz CAVSJZGMQASLFP-LURJTMIESA-N 0 3 186.280 0.922 20 0 ACADHN CCO[N-]C(=O)CCC[NH2+]C 83116680 572194787 /nfs/dbraw/zinc/19/47/87/572194787.db2.gz XDWKKSWDMKYCFR-UHFFFAOYSA-N 0 3 160.217 0.054 20 0 ACADHN CO[N-]C(=O)CCCCC[NH3+] 83116398 572194872 /nfs/dbraw/zinc/19/48/72/572194872.db2.gz QKEJTKWWOXYBMR-UHFFFAOYSA-N 0 3 160.217 0.183 20 0 ACADHN CO[N-]C(=O)CC[C@H]1CCC[NH2+]C1 83116405 572194949 /nfs/dbraw/zinc/19/49/49/572194949.db2.gz BTDDQFAVHLCLND-MRVPVSSYSA-N 0 3 186.255 0.444 20 0 ACADHN CONC(=O)C[C@@H](N)c1ccccc1 83116382 572195055 /nfs/dbraw/zinc/19/50/55/572195055.db2.gz FXHIWYWIWDJWIV-SECBINFHSA-N 0 3 194.234 0.754 20 0 ACADHN CCO[N-]C(=O)CCCCC[NH3+] 83116642 572195105 /nfs/dbraw/zinc/19/51/05/572195105.db2.gz OASHBOFIOXMDPN-UHFFFAOYSA-N 0 3 174.244 0.573 20 0 ACADHN CCO[N-]C(=O)CCCCCC[NH3+] 83116742 572195510 /nfs/dbraw/zinc/19/55/10/572195510.db2.gz RZORDUNYUVQZHN-UHFFFAOYSA-N 0 3 188.271 0.963 20 0 ACADHN CCO[N-]C(=O)CCCC[NH3+] 83116593 572195791 /nfs/dbraw/zinc/19/57/91/572195791.db2.gz SCNQBVOMDSGVAJ-UHFFFAOYSA-N 0 3 160.217 0.183 20 0 ACADHN CCO[N-]C(=O)CC1CC[NH2+]CC1 83116683 572195803 /nfs/dbraw/zinc/19/58/03/572195803.db2.gz QVMNWGTUNPQEEB-UHFFFAOYSA-N 0 3 186.255 0.444 20 0 ACADHN CCO[N-]C(=O)CCC(C)(C)[NH3+] 83116592 572195816 /nfs/dbraw/zinc/19/58/16/572195816.db2.gz ORTOSLRKZIIGBB-UHFFFAOYSA-N 0 3 174.244 0.572 20 0 ACADHN CO[N-]C(=O)CCCCCC[NH3+] 83116493 572196162 /nfs/dbraw/zinc/19/61/62/572196162.db2.gz IYPOMOXLQIITCW-UHFFFAOYSA-N 0 3 174.244 0.573 20 0 ACADHN CC(=O)N[C@H](CN(C)C)C(C)C 70226843 572200446 /nfs/dbraw/zinc/20/04/46/572200446.db2.gz GDLAYXBRVFREDW-SECBINFHSA-N 0 3 172.272 0.709 20 0 ACADHN CC(=O)N[C@@H](CN(C)C)C(C)C 70226844 572200827 /nfs/dbraw/zinc/20/08/27/572200827.db2.gz GDLAYXBRVFREDW-VIFPVBQESA-N 0 3 172.272 0.709 20 0 ACADHN CCCC(=O)NCCN(C)CC 70232518 572200968 /nfs/dbraw/zinc/20/09/68/572200968.db2.gz CUQRCROKJNMHLI-UHFFFAOYSA-N 0 3 172.272 0.854 20 0 ACADHN CCN(C)CCNC(=O)C1CC1 70232522 572201683 /nfs/dbraw/zinc/20/16/83/572201683.db2.gz VQKJOJDBQMBYGL-UHFFFAOYSA-N 0 3 170.256 0.464 20 0 ACADHN CCOCC(=O)NCCN(C)CC 70232516 572201737 /nfs/dbraw/zinc/20/17/37/572201737.db2.gz JGHYPLUAUCGCDF-UHFFFAOYSA-N 0 3 188.271 0.091 20 0 ACADHN CCN(C)CCNC(=O)c1ccco1 70232520 572202141 /nfs/dbraw/zinc/20/21/41/572202141.db2.gz HJSPHEHSHKOSTR-UHFFFAOYSA-N 0 3 196.250 0.961 20 0 ACADHN CCC(O)(CC)CNC(=O)[C@H](C)N 83464903 572220043 /nfs/dbraw/zinc/22/00/43/572220043.db2.gz HXYSRXKMLRPQAM-ZETCQYMHSA-N 0 3 188.271 0.001 20 0 ACADHN COC[C@H](CCO)N[C@H](C)COC 168062565 572220864 /nfs/dbraw/zinc/22/08/64/572220864.db2.gz BSDDTUZZOHLCRV-BDAKNGLRSA-N 0 3 191.271 0.008 20 0 ACADHN COC[C@H](C)N[C@@H](CCO)COC 168062453 572222632 /nfs/dbraw/zinc/22/26/32/572222632.db2.gz BSDDTUZZOHLCRV-IUCAKERBSA-N 0 3 191.271 0.008 20 0 ACADHN Cc1cccc([C@@H](N)CC(N)=O)c1 20578236 572223856 /nfs/dbraw/zinc/22/38/56/572223856.db2.gz RPNUYMZPAGIRJF-VIFPVBQESA-N 0 3 178.235 0.870 20 0 ACADHN Cc1cccc([C@H](N)CC(N)=O)c1 20578239 572223809 /nfs/dbraw/zinc/22/38/09/572223809.db2.gz RPNUYMZPAGIRJF-SECBINFHSA-N 0 3 178.235 0.870 20 0 ACADHN CN1CCCN(C(=O)NC2CC2)CC1 20515040 572224434 /nfs/dbraw/zinc/22/44/34/572224434.db2.gz LJBVQVPCGZUFDH-UHFFFAOYSA-N 0 3 197.282 0.496 20 0 ACADHN Cc1ccc([C@H](N)CC(N)=O)cc1 20578045 572225383 /nfs/dbraw/zinc/22/53/83/572225383.db2.gz UIOAJTFHXCRDGM-SECBINFHSA-N 0 3 178.235 0.870 20 0 ACADHN Cc1ccsc1[C@H](N)CC(N)=O 20578068 572227276 /nfs/dbraw/zinc/22/72/76/572227276.db2.gz RCVLUBWCYDSDKY-ZCFIWIBFSA-N 0 3 184.264 0.932 20 0 ACADHN C[C@H](NC[C@H](O)CO)c1cccnc1 37888892 572228085 /nfs/dbraw/zinc/22/80/85/572228085.db2.gz DQJICVBSKOXYRM-WPRPVWTQSA-N 0 3 196.250 0.085 20 0 ACADHN C[C@@H](NCCCCO)c1cnccn1 235210831 572242663 /nfs/dbraw/zinc/24/26/63/572242663.db2.gz BGBSVYJQHXIJLZ-SECBINFHSA-N 0 3 195.266 0.900 20 0 ACADHN C[C@@H](NC1(C(N)=O)CC1)C1CC1 393371408 572244564 /nfs/dbraw/zinc/24/45/64/572244564.db2.gz NEXKBKNBIWAXJC-ZCFIWIBFSA-N 0 3 168.240 0.392 20 0 ACADHN CC(C)(CC(N)=O)NC/C=C\Cl 307975280 572326411 /nfs/dbraw/zinc/32/64/11/572326411.db2.gz FSTBTGVKWWOUJM-ARJAWSKDSA-N 0 3 190.674 0.983 20 0 ACADHN COC1CC(NCCF)C1 234662695 572326495 /nfs/dbraw/zinc/32/64/95/572326495.db2.gz NCWLQJKORKONRM-UHFFFAOYSA-N 0 3 147.193 0.723 20 0 ACADHN CN(C)CCNC(=O)C(C)(F)F 307976674 572328153 /nfs/dbraw/zinc/32/81/53/572328153.db2.gz LTPZXOHQDZPMAS-UHFFFAOYSA-N 0 3 180.198 0.319 20 0 ACADHN C[C@H]1CN([C@@H](C)[C@@H](C)O)C[C@@H](C)O1 44117399 572357266 /nfs/dbraw/zinc/35/72/66/572357266.db2.gz CMQRDXPIDDGNNJ-QCLAVDOMSA-N 0 3 187.283 0.865 20 0 ACADHN N[C@H](CCO)c1ccc(CO)cc1F 238674430 572373344 /nfs/dbraw/zinc/37/33/44/572373344.db2.gz ZKUCGXXKWSRMCJ-SNVBAGLBSA-N 0 3 199.225 0.700 20 0 ACADHN CCNCC(=O)NCc1ccco1 44288597 572383847 /nfs/dbraw/zinc/38/38/47/572383847.db2.gz YJEMIGDIHVWIRA-UHFFFAOYSA-N 0 3 182.223 0.505 20 0 ACADHN CCCCCNC(=O)CNCC 44294523 572384394 /nfs/dbraw/zinc/38/43/94/572384394.db2.gz PBNMXBSUAXCRHW-UHFFFAOYSA-N 0 3 172.272 0.902 20 0 ACADHN CCNCC(=O)Nc1ccc(O)cc1 44297169 572388706 /nfs/dbraw/zinc/38/87/06/572388706.db2.gz CGRYEQJYTGGTTE-UHFFFAOYSA-N 0 3 194.234 0.940 20 0 ACADHN C[C@H](CNC(N)=O)N1CCCCC1 44352017 572398628 /nfs/dbraw/zinc/39/86/28/572398628.db2.gz VLEMQVFJVYCWPU-MRVPVSSYSA-N 0 3 185.271 0.529 20 0 ACADHN CCCCN(C)[C@@H]1COC[C@H]1O 308014770 572402499 /nfs/dbraw/zinc/40/24/99/572402499.db2.gz QXDVIIBPEWYIIV-RKDXNWHRSA-N 0 3 173.256 0.478 20 0 ACADHN CCNCC(=O)N1CCC(C)(C)C1 87253394 572411146 /nfs/dbraw/zinc/41/11/46/572411146.db2.gz ZJRCGSIIHCHYRU-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN C1CCC(OC2CNC2)C1 60999551 572413810 /nfs/dbraw/zinc/41/38/10/572413810.db2.gz OFLBUDQKJCZBLG-UHFFFAOYSA-N 0 3 141.214 0.917 20 0 ACADHN CO[C@@H](C)[C@@]1(C)NCCc2nc[nH]c21 306590512 572414794 /nfs/dbraw/zinc/41/47/94/572414794.db2.gz XYFNNNJTEOWQNQ-OIBJUYFYSA-N 0 3 195.266 0.806 20 0 ACADHN CO[C@H](C)[C@]1(C)NCCc2nc[nH]c21 306590514 572415159 /nfs/dbraw/zinc/41/51/59/572415159.db2.gz XYFNNNJTEOWQNQ-XCBNKYQSSA-N 0 3 195.266 0.806 20 0 ACADHN CO[C@H](C)[C@@]1(C)NCCc2nc[nH]c21 306590511 572415376 /nfs/dbraw/zinc/41/53/76/572415376.db2.gz XYFNNNJTEOWQNQ-GMSGAONNSA-N 0 3 195.266 0.806 20 0 ACADHN CO[C@@H](C)[C@]1(C)NCCc2nc[nH]c21 306590515 572416336 /nfs/dbraw/zinc/41/63/36/572416336.db2.gz XYFNNNJTEOWQNQ-XVKPBYJWSA-N 0 3 195.266 0.806 20 0 ACADHN C[C@H](CCCO)NCc1c[nH]cn1 87358207 572425189 /nfs/dbraw/zinc/42/51/89/572425189.db2.gz QHELVSXHMGVABJ-MRVPVSSYSA-N 0 3 183.255 0.660 20 0 ACADHN C[C@H](CCCO)NCc1cnc[nH]1 87358207 572425193 /nfs/dbraw/zinc/42/51/93/572425193.db2.gz QHELVSXHMGVABJ-MRVPVSSYSA-N 0 3 183.255 0.660 20 0 ACADHN C[C@@H](CCCO)NCc1c[nH]cn1 87358206 572426288 /nfs/dbraw/zinc/42/62/88/572426288.db2.gz QHELVSXHMGVABJ-QMMMGPOBSA-N 0 3 183.255 0.660 20 0 ACADHN C[C@@H](CCCO)NCc1cnc[nH]1 87358206 572426290 /nfs/dbraw/zinc/42/62/90/572426290.db2.gz QHELVSXHMGVABJ-QMMMGPOBSA-N 0 3 183.255 0.660 20 0 ACADHN C[C@H](CCCO)NC(=O)C(C)(C)N 87360322 572427415 /nfs/dbraw/zinc/42/74/15/572427415.db2.gz FSXRUGIVHMLMIQ-SSDOTTSWSA-N 0 3 188.271 0.001 20 0 ACADHN C[C@@H](CCCO)NC(=O)C(C)(C)N 87360321 572427403 /nfs/dbraw/zinc/42/74/03/572427403.db2.gz FSXRUGIVHMLMIQ-ZETCQYMHSA-N 0 3 188.271 0.001 20 0 ACADHN C=CC(=O)N(C)[C@@H]1CCCN(C)C1 53245176 572430210 /nfs/dbraw/zinc/43/02/10/572430210.db2.gz JBHYJKAGDGCHHV-SECBINFHSA-N 0 3 182.267 0.725 20 0 ACADHN CCCC[C@H](N)C(=O)NCCF 308025246 572431057 /nfs/dbraw/zinc/43/10/57/572431057.db2.gz WZHYVQFCFZODOT-ZETCQYMHSA-N 0 3 176.235 0.590 20 0 ACADHN COCCCCNC(=O)C1(N)CC1 83835652 572431247 /nfs/dbraw/zinc/43/12/47/572431247.db2.gz OULDXJVFSMJJRR-UHFFFAOYSA-N 0 3 186.255 0.021 20 0 ACADHN C=CC(=O)N(C)[C@H]1CCCN(C)C1 53245175 572431923 /nfs/dbraw/zinc/43/19/23/572431923.db2.gz JBHYJKAGDGCHHV-VIFPVBQESA-N 0 3 182.267 0.725 20 0 ACADHN CN(C)CCN(C)c1ccnc(N)n1 83825696 572432056 /nfs/dbraw/zinc/43/20/56/572432056.db2.gz SGPKVIBSNJZALW-UHFFFAOYSA-N 0 3 195.270 0.057 20 0 ACADHN CC[C@H](CCO)CNCc1c[nH]cn1 87362536 572433010 /nfs/dbraw/zinc/43/30/10/572433010.db2.gz NCJNGKHLNWYZPI-SECBINFHSA-N 0 3 197.282 0.908 20 0 ACADHN CC[C@@H](CCO)CNCc1c[nH]cn1 87362535 572433581 /nfs/dbraw/zinc/43/35/81/572433581.db2.gz NCJNGKHLNWYZPI-VIFPVBQESA-N 0 3 197.282 0.908 20 0 ACADHN CN(C)CCNC(=S)N1CCC1 308026481 572435114 /nfs/dbraw/zinc/43/51/14/572435114.db2.gz ZOWHUENDLHYGMU-UHFFFAOYSA-N 0 3 187.312 0.128 20 0 ACADHN CN(CCC(F)(F)F)C(=O)CN 83879686 572437852 /nfs/dbraw/zinc/43/78/52/572437852.db2.gz OJWZBUMWFBWSJC-UHFFFAOYSA-N 0 3 184.161 0.356 20 0 ACADHN CNCC(=O)N(C)CCC(F)(F)F 83879701 572438491 /nfs/dbraw/zinc/43/84/91/572438491.db2.gz JWQHYGWZVDERIB-UHFFFAOYSA-N 0 3 198.188 0.617 20 0 ACADHN C[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](CN)C1 44531583 572438886 /nfs/dbraw/zinc/43/88/86/572438886.db2.gz XHOIZSVKFXHKDE-HTQZYQBOSA-N 0 3 186.255 0.130 20 0 ACADHN C[C@H](C(=O)[O-])[N@H+]1CCC[C@H](CN)C1 44531583 572438890 /nfs/dbraw/zinc/43/88/90/572438890.db2.gz XHOIZSVKFXHKDE-HTQZYQBOSA-N 0 3 186.255 0.130 20 0 ACADHN CCNCC(=O)NCCC1CC1 83894343 572439085 /nfs/dbraw/zinc/43/90/85/572439085.db2.gz CDFVIGZHQUVKKI-UHFFFAOYSA-N 0 3 170.256 0.512 20 0 ACADHN C[C@@H](N)C(=O)N(C)CCC(F)(F)F 83879725 572439333 /nfs/dbraw/zinc/43/93/33/572439333.db2.gz LITQPMPGBYFFPT-RXMQYKEDSA-N 0 3 198.188 0.744 20 0 ACADHN Cc1cc(N)nn1C[C@@H]1CCCN1C 306697515 572443392 /nfs/dbraw/zinc/44/33/92/572443392.db2.gz ZOIWAPNLCKABIO-VIFPVBQESA-N 0 3 194.282 0.868 20 0 ACADHN CS(=O)(=O)CCNCCC1CC1 83894764 572445782 /nfs/dbraw/zinc/44/57/82/572445782.db2.gz ZXINKVPWRXBVPH-UHFFFAOYSA-N 0 3 191.296 0.421 20 0 ACADHN C[C@H](NC(=O)CN)c1ccsc1 61366220 572446775 /nfs/dbraw/zinc/44/67/75/572446775.db2.gz FTRHASYEPXSHID-LURJTMIESA-N 0 3 184.264 0.884 20 0 ACADHN C=CC(=O)NC[C@H]1CCCCN1C 44564297 572447998 /nfs/dbraw/zinc/44/79/98/572447998.db2.gz OWVLIVHBALMNIL-SECBINFHSA-N 0 3 182.267 0.773 20 0 ACADHN CO[N-]C(=O)C[C@@H](C[NH3+])CC(C)C 83863053 572449269 /nfs/dbraw/zinc/44/92/69/572449269.db2.gz SGHWWSBDYFJSSA-QMMMGPOBSA-N 0 3 188.271 0.675 20 0 ACADHN C=CC(=O)NC[C@@H]1CCCCN1C 44564299 572449556 /nfs/dbraw/zinc/44/95/56/572449556.db2.gz OWVLIVHBALMNIL-VIFPVBQESA-N 0 3 182.267 0.773 20 0 ACADHN CCNCC(=O)Nc1ccncc1 44646767 572458739 /nfs/dbraw/zinc/45/87/39/572458739.db2.gz XTZVNHOENQSKQI-UHFFFAOYSA-N 0 3 179.223 0.630 20 0 ACADHN CCNCC(=O)Nc1ccc(C)cn1 44646813 572459913 /nfs/dbraw/zinc/45/99/13/572459913.db2.gz ZQGDYJXMKOXGLG-UHFFFAOYSA-N 0 3 193.250 0.938 20 0 ACADHN CCNCC(=O)Nc1cccnc1 44646615 572459963 /nfs/dbraw/zinc/45/99/63/572459963.db2.gz JAVIMIWTHYWGQX-UHFFFAOYSA-N 0 3 179.223 0.630 20 0 ACADHN CCNCC(=O)Nc1ccccn1 44646611 572460051 /nfs/dbraw/zinc/46/00/51/572460051.db2.gz WEGWYTOETFHPLS-UHFFFAOYSA-N 0 3 179.223 0.630 20 0 ACADHN CCNCC(=O)Nc1ncc(C)s1 44646725 572461241 /nfs/dbraw/zinc/46/12/41/572461241.db2.gz DCCXSVPFPMNDSC-UHFFFAOYSA-N 0 3 199.279 1.000 20 0 ACADHN CCNCC(=O)Nc1cccc(C)n1 44646809 572461657 /nfs/dbraw/zinc/46/16/57/572461657.db2.gz XZBOMHCZTFUCDF-UHFFFAOYSA-N 0 3 193.250 0.938 20 0 ACADHN CCNCC(=O)Nc1cc(C)ccn1 44646842 572462124 /nfs/dbraw/zinc/46/21/24/572462124.db2.gz VUCOWBCADGJZFZ-UHFFFAOYSA-N 0 3 193.250 0.938 20 0 ACADHN CCNCC(=O)Nc1cccc(O)c1 44651149 572463354 /nfs/dbraw/zinc/46/33/54/572463354.db2.gz UCLXFUMDUZSFLM-UHFFFAOYSA-N 0 3 194.234 0.940 20 0 ACADHN CCC(C)(C)N(C)C(=O)CN 69013228 572463440 /nfs/dbraw/zinc/46/34/40/572463440.db2.gz GXYAHEZQFHXWDH-UHFFFAOYSA-N 0 3 158.245 0.592 20 0 ACADHN CCNCC(=O)NCC1CCCC1 44647048 572463431 /nfs/dbraw/zinc/46/34/31/572463431.db2.gz FUWXERMLKROBFW-UHFFFAOYSA-N 0 3 184.283 0.902 20 0 ACADHN C=CC(=O)NCCN(C)C1CC1 61995661 572471721 /nfs/dbraw/zinc/47/17/21/572471721.db2.gz UPZCFYYBZTWSCQ-UHFFFAOYSA-N 0 3 168.240 0.383 20 0 ACADHN COC(CSCCN(C)C)OC 87417063 572479147 /nfs/dbraw/zinc/47/91/47/572479147.db2.gz MBEJMYPTGYLBLN-UHFFFAOYSA-N 0 3 193.312 0.900 20 0 ACADHN CC[C@@H](NC)C(=O)N(C)OC 197517107 572482431 /nfs/dbraw/zinc/48/24/31/572482431.db2.gz YLMOEPOBCDRPEG-ZCFIWIBFSA-N 0 3 160.217 0.004 20 0 ACADHN CC[C@H](NC)C(=O)N(C)OC 197517097 572483066 /nfs/dbraw/zinc/48/30/66/572483066.db2.gz YLMOEPOBCDRPEG-LURJTMIESA-N 0 3 160.217 0.004 20 0 ACADHN CO[C@@H]1CC[C@H](NC(=O)[C@@H](C)N)C1 234745802 572488796 /nfs/dbraw/zinc/48/87/96/572488796.db2.gz XZQVMIQWUPFVAV-GJMOJQLCSA-N 0 3 186.255 0.017 20 0 ACADHN COC[C@H](NCc1nnc[nH]1)C1CC1 87479104 572491004 /nfs/dbraw/zinc/49/10/04/572491004.db2.gz ODPWXKMQSCYWGJ-QMMMGPOBSA-N 0 3 196.254 0.319 20 0 ACADHN COC[C@H]([NH2+]Cc1nnc[n-]1)C1CC1 87479104 572491007 /nfs/dbraw/zinc/49/10/07/572491007.db2.gz ODPWXKMQSCYWGJ-QMMMGPOBSA-N 0 3 196.254 0.319 20 0 ACADHN COC[C@@H](NCc1nnc[nH]1)C1CC1 87479107 572492256 /nfs/dbraw/zinc/49/22/56/572492256.db2.gz ODPWXKMQSCYWGJ-MRVPVSSYSA-N 0 3 196.254 0.319 20 0 ACADHN COC[C@@H]([NH2+]Cc1nnc[n-]1)C1CC1 87479107 572492262 /nfs/dbraw/zinc/49/22/62/572492262.db2.gz ODPWXKMQSCYWGJ-MRVPVSSYSA-N 0 3 196.254 0.319 20 0 ACADHN CO[C@@H]1CC[C@H](NC(=O)[C@H](C)N)C1 234746998 572492599 /nfs/dbraw/zinc/49/25/99/572492599.db2.gz XZQVMIQWUPFVAV-BIIVOSGPSA-N 0 3 186.255 0.017 20 0 ACADHN COC[C@@H](NCc1nnc[nH]1)C(C)C 87479100 572492721 /nfs/dbraw/zinc/49/27/21/572492721.db2.gz AFSYLDHKYUPKOO-MRVPVSSYSA-N 0 3 198.270 0.565 20 0 ACADHN COC[C@@H]([NH2+]Cc1nnc[n-]1)C(C)C 87479100 572492725 /nfs/dbraw/zinc/49/27/25/572492725.db2.gz AFSYLDHKYUPKOO-MRVPVSSYSA-N 0 3 198.270 0.565 20 0 ACADHN CCNCC(=O)N[C@H]1CC=CCC1 84067109 572494331 /nfs/dbraw/zinc/49/43/31/572494331.db2.gz XCDQSDLNRSHWOI-VIFPVBQESA-N 0 3 182.267 0.821 20 0 ACADHN CCNCC(=O)N[C@@H]1CC=CCC1 84067110 572496128 /nfs/dbraw/zinc/49/61/28/572496128.db2.gz XCDQSDLNRSHWOI-SECBINFHSA-N 0 3 182.267 0.821 20 0 ACADHN C[NH2+]CCCN(C)[C@H](C)C(=O)[O-] 87472011 572505888 /nfs/dbraw/zinc/50/58/88/572505888.db2.gz JSVJDOKMRYOUHH-SSDOTTSWSA-N 0 3 174.244 0.001 20 0 ACADHN CNCCC[N@H+](C)[C@H](C)C(=O)[O-] 87472011 572505893 /nfs/dbraw/zinc/50/58/93/572505893.db2.gz JSVJDOKMRYOUHH-SSDOTTSWSA-N 0 3 174.244 0.001 20 0 ACADHN CNCCC[N@@H+](C)[C@H](C)C(=O)[O-] 87472011 572505895 /nfs/dbraw/zinc/50/58/95/572505895.db2.gz JSVJDOKMRYOUHH-SSDOTTSWSA-N 0 3 174.244 0.001 20 0 ACADHN C[NH2+]CCCN(C)[C@@H](C)C(=O)[O-] 87472010 572508870 /nfs/dbraw/zinc/50/88/70/572508870.db2.gz JSVJDOKMRYOUHH-ZETCQYMHSA-N 0 3 174.244 0.001 20 0 ACADHN CNCCC[N@H+](C)[C@@H](C)C(=O)[O-] 87472010 572508874 /nfs/dbraw/zinc/50/88/74/572508874.db2.gz JSVJDOKMRYOUHH-ZETCQYMHSA-N 0 3 174.244 0.001 20 0 ACADHN CNCCC[N@@H+](C)[C@@H](C)C(=O)[O-] 87472010 572508878 /nfs/dbraw/zinc/50/88/78/572508878.db2.gz JSVJDOKMRYOUHH-ZETCQYMHSA-N 0 3 174.244 0.001 20 0 ACADHN Cc1cc(COC2CNC2)no1 62809739 572512674 /nfs/dbraw/zinc/51/26/74/572512674.db2.gz BNKTYTHQQIKBLB-UHFFFAOYSA-N 0 3 168.196 0.471 20 0 ACADHN Cc1cc(COC2CNC2)on1 62809751 572513392 /nfs/dbraw/zinc/51/33/92/572513392.db2.gz HDIUQFIGWPUHAI-UHFFFAOYSA-N 0 3 168.196 0.471 20 0 ACADHN Cc1noc(C)c1COC1CNC1 62809738 572513617 /nfs/dbraw/zinc/51/36/17/572513617.db2.gz ZPAFPFJYYULCOT-UHFFFAOYSA-N 0 3 182.223 0.780 20 0 ACADHN c1cc(COC2CNC2)ccn1 62809836 572514462 /nfs/dbraw/zinc/51/44/62/572514462.db2.gz WOPZELOUQVDGSI-UHFFFAOYSA-N 0 3 164.208 0.570 20 0 ACADHN OCCN1CCNCc2ccccc21 62818741 572514504 /nfs/dbraw/zinc/51/45/04/572514504.db2.gz IOYHCKQTCDBMGA-UHFFFAOYSA-N 0 3 192.262 0.589 20 0 ACADHN c1cncc(COC2CNC2)c1 62809907 572515027 /nfs/dbraw/zinc/51/50/27/572515027.db2.gz UYLIQLLUPFKXAX-UHFFFAOYSA-N 0 3 164.208 0.570 20 0 ACADHN c1ccc(COC2CNC2)nc1 62809906 572515306 /nfs/dbraw/zinc/51/53/06/572515306.db2.gz SOUQYHJDYGQUGP-UHFFFAOYSA-N 0 3 164.208 0.570 20 0 ACADHN Cc1nc(COC2CNC2)oc1C 62809735 572516032 /nfs/dbraw/zinc/51/60/32/572516032.db2.gz RJSXLQXHIAZUBP-UHFFFAOYSA-N 0 3 182.223 0.780 20 0 ACADHN Cc1cc(CN[C@@H](C)CO)n(C)n1 84243931 572517459 /nfs/dbraw/zinc/51/74/59/572517459.db2.gz CEJQVDYKBJVDMJ-QMMMGPOBSA-N 0 3 183.255 0.199 20 0 ACADHN Cc1cc(CNCC(C)(C)O)n(C)n1 84244789 572517556 /nfs/dbraw/zinc/51/75/56/572517556.db2.gz ZOZUTWPBGLQOED-UHFFFAOYSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1cn(CCN2CCCC2)nc1N 235950412 572518056 /nfs/dbraw/zinc/51/80/56/572518056.db2.gz UVYNOFLNKXYTCT-UHFFFAOYSA-N 0 3 194.282 0.870 20 0 ACADHN CC[C@H](CO)NCc1cc(C)nn1C 84243879 572518125 /nfs/dbraw/zinc/51/81/25/572518125.db2.gz XQCZTJMIXHABNI-SECBINFHSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1cc(CN[C@H](C)CO)n(C)n1 84243934 572519341 /nfs/dbraw/zinc/51/93/41/572519341.db2.gz CEJQVDYKBJVDMJ-MRVPVSSYSA-N 0 3 183.255 0.199 20 0 ACADHN Cc1cc(CNC(C)(C)CO)n(C)n1 84243893 572519375 /nfs/dbraw/zinc/51/93/75/572519375.db2.gz CARQKPJVJAPCOE-UHFFFAOYSA-N 0 3 197.282 0.589 20 0 ACADHN CC[C@@H](CO)NCc1cc(C)nn1C 84243874 572520223 /nfs/dbraw/zinc/52/02/23/572520223.db2.gz XQCZTJMIXHABNI-VIFPVBQESA-N 0 3 197.282 0.589 20 0 ACADHN CCO[N-]C(=O)C[C@@H]1CC[NH2+]C1 84384165 572540140 /nfs/dbraw/zinc/54/01/40/572540140.db2.gz SCQNYAZNROEDHZ-ZETCQYMHSA-N 0 3 172.228 0.054 20 0 ACADHN Cc1cnn2c3c(cnc12)CNCC3 235971686 572555498 /nfs/dbraw/zinc/55/54/98/572555498.db2.gz HRAQEMOGWVYPKH-UHFFFAOYSA-N 0 3 188.234 0.683 20 0 ACADHN CC(C)(N)c1cn(CCCCO)nn1 69679287 572557850 /nfs/dbraw/zinc/55/78/50/572557850.db2.gz BXNZBSACUHQSST-UHFFFAOYSA-N 0 3 198.270 0.244 20 0 ACADHN C[C@H](N)C(=O)NC[C@H]1CC=CCC1 45647173 572562546 /nfs/dbraw/zinc/56/25/46/572562546.db2.gz NWFCXFQLFJCHJT-IUCAKERBSA-N 0 3 182.267 0.806 20 0 ACADHN C[C@H](N)C(=O)NC[C@@H]1CC=CCC1 45647177 572565518 /nfs/dbraw/zinc/56/55/18/572565518.db2.gz NWFCXFQLFJCHJT-DTWKUNHWSA-N 0 3 182.267 0.806 20 0 ACADHN COC[C@H](C)OC1CNC1 69736322 572567248 /nfs/dbraw/zinc/56/72/48/572567248.db2.gz IRXKOWAQVSZHAI-LURJTMIESA-N 0 3 145.202 0.010 20 0 ACADHN COC[C@@H](C)OC1CNC1 69736323 572569959 /nfs/dbraw/zinc/56/99/59/572569959.db2.gz IRXKOWAQVSZHAI-ZCFIWIBFSA-N 0 3 145.202 0.010 20 0 ACADHN CON(C)C(=O)[C@@H](N)CC1CC1 238343980 572579895 /nfs/dbraw/zinc/57/98/95/572579895.db2.gz XTKAQARWPITGNR-ZETCQYMHSA-N 0 3 172.228 0.134 20 0 ACADHN CON(C)C(=O)[C@H](N)CC1CC1 238345344 572583536 /nfs/dbraw/zinc/58/35/36/572583536.db2.gz XTKAQARWPITGNR-SSDOTTSWSA-N 0 3 172.228 0.134 20 0 ACADHN CO[C@H]1CCC[C@H](OC2CNC2)C1 69848815 572591791 /nfs/dbraw/zinc/59/17/91/572591791.db2.gz INWNFZDAADEOCT-IUCAKERBSA-N 0 3 185.267 0.932 20 0 ACADHN CO[C@H]1CCC[C@@H](OC2CNC2)C1 69848818 572593071 /nfs/dbraw/zinc/59/30/71/572593071.db2.gz INWNFZDAADEOCT-DTWKUNHWSA-N 0 3 185.267 0.932 20 0 ACADHN CO[C@@H]1CCC[C@@H](OC2CNC2)C1 69848816 572594015 /nfs/dbraw/zinc/59/40/15/572594015.db2.gz INWNFZDAADEOCT-RKDXNWHRSA-N 0 3 185.267 0.932 20 0 ACADHN CO[C@@H]1CCC[C@H](OC2CNC2)C1 69848813 572594279 /nfs/dbraw/zinc/59/42/79/572594279.db2.gz INWNFZDAADEOCT-BDAKNGLRSA-N 0 3 185.267 0.932 20 0 ACADHN Cn1cncc1CNCCCCO 236086664 572616161 /nfs/dbraw/zinc/61/61/61/572616161.db2.gz YYAZBRJAWIAPPY-UHFFFAOYSA-N 0 3 183.255 0.282 20 0 ACADHN NC(=O)CN1CCCCCCC1 47916403 572627366 /nfs/dbraw/zinc/62/73/66/572627366.db2.gz CBHSJGTZBATTFH-UHFFFAOYSA-N 0 3 170.256 0.738 20 0 ACADHN COc1cc(N)c(F)cc1CN 238373437 572642182 /nfs/dbraw/zinc/64/21/82/572642182.db2.gz JUVWTUZDHZDQHK-UHFFFAOYSA-N 0 3 170.187 0.875 20 0 ACADHN NC(=O)C[C@@H]1CCN(CCF)C1 308082817 572645572 /nfs/dbraw/zinc/64/55/72/572645572.db2.gz KZPHOTVAACFFDW-ZETCQYMHSA-N 0 3 174.219 0.153 20 0 ACADHN NC(=O)C[C@H]1CCN(CCF)C1 308082814 572648436 /nfs/dbraw/zinc/64/84/36/572648436.db2.gz KZPHOTVAACFFDW-SSDOTTSWSA-N 0 3 174.219 0.153 20 0 ACADHN O=c1cccc(CNC2CC2)[nH]1 236413357 572647497 /nfs/dbraw/zinc/64/74/97/572647497.db2.gz HZIIABIOXSKKIK-UHFFFAOYSA-N 0 3 164.208 0.627 20 0 ACADHN CNCc1c2c(n[nH]c1=O)CCCC2 77060272 572654109 /nfs/dbraw/zinc/65/41/09/572654109.db2.gz UUXWNYZKSZHHOI-UHFFFAOYSA-N 0 3 193.250 0.368 20 0 ACADHN C[C@@H](CCO)CNCc1cnccn1 85128061 572666948 /nfs/dbraw/zinc/66/69/48/572666948.db2.gz TVQVMARWBQVVLF-VIFPVBQESA-N 0 3 195.266 0.585 20 0 ACADHN C[C@H](CCO)CNCc1c[nH]cn1 85127819 572667274 /nfs/dbraw/zinc/66/72/74/572667274.db2.gz NVVXRHCDIOBADT-MRVPVSSYSA-N 0 3 183.255 0.518 20 0 ACADHN C[C@H](CCO)CNCc1cnc[nH]1 85127819 572667276 /nfs/dbraw/zinc/66/72/76/572667276.db2.gz NVVXRHCDIOBADT-MRVPVSSYSA-N 0 3 183.255 0.518 20 0 ACADHN C[C@@H](CCO)CNCc1c[nH]cn1 85127816 572667606 /nfs/dbraw/zinc/66/76/06/572667606.db2.gz NVVXRHCDIOBADT-QMMMGPOBSA-N 0 3 183.255 0.518 20 0 ACADHN C[C@@H](CCO)CNCc1cnc[nH]1 85127816 572667611 /nfs/dbraw/zinc/66/76/11/572667611.db2.gz NVVXRHCDIOBADT-QMMMGPOBSA-N 0 3 183.255 0.518 20 0 ACADHN C[C@H](CCO)CNCc1cnccn1 85128062 572668145 /nfs/dbraw/zinc/66/81/45/572668145.db2.gz TVQVMARWBQVVLF-SECBINFHSA-N 0 3 195.266 0.585 20 0 ACADHN COCCNC[C@](C)(O)C(F)F 87689556 572680900 /nfs/dbraw/zinc/68/09/00/572680900.db2.gz DDGZUZGELXVDRW-ZETCQYMHSA-N 0 3 183.198 0.239 20 0 ACADHN COCCNC[C@@](C)(O)C(F)F 87689555 572681335 /nfs/dbraw/zinc/68/13/35/572681335.db2.gz DDGZUZGELXVDRW-SSDOTTSWSA-N 0 3 183.198 0.239 20 0 ACADHN CCn1cncc1CNCC(C)(C)O 85184146 572689458 /nfs/dbraw/zinc/68/94/58/572689458.db2.gz DUQBUXBSKZRLTI-UHFFFAOYSA-N 0 3 197.282 0.764 20 0 ACADHN Cn1cncc1CNCc1cnc[nH]1 85169702 572698807 /nfs/dbraw/zinc/69/88/07/572698807.db2.gz UKULXHHBYRKQMD-UHFFFAOYSA-N 0 3 191.238 0.433 20 0 ACADHN CCn1cncc1CN[C@H](C)CO 85183128 572699598 /nfs/dbraw/zinc/69/95/98/572699598.db2.gz CZDBSBAFIJYCDB-MRVPVSSYSA-N 0 3 183.255 0.373 20 0 ACADHN CCn1cncc1CNC(C)(C)CO 85183054 572699725 /nfs/dbraw/zinc/69/97/25/572699725.db2.gz ZDUGNTDJGLBFLX-UHFFFAOYSA-N 0 3 197.282 0.764 20 0 ACADHN C[C@H]1CN(CCCO)CCN1C 70543119 572699792 /nfs/dbraw/zinc/69/97/92/572699792.db2.gz ZOATYSCPILWSCL-VIFPVBQESA-N 0 3 172.272 0.005 20 0 ACADHN CCn1cncc1CN[C@@H](C)CO 85183127 572700731 /nfs/dbraw/zinc/70/07/31/572700731.db2.gz CZDBSBAFIJYCDB-QMMMGPOBSA-N 0 3 183.255 0.373 20 0 ACADHN CC[C@@H](CO)NCc1cncn1CC 85183050 572700986 /nfs/dbraw/zinc/70/09/86/572700986.db2.gz POPXNDNAHBPWPQ-VIFPVBQESA-N 0 3 197.282 0.764 20 0 ACADHN C[C@@H]1CN(CCCO)CCN1C 70543118 572701253 /nfs/dbraw/zinc/70/12/53/572701253.db2.gz ZOATYSCPILWSCL-SECBINFHSA-N 0 3 172.272 0.005 20 0 ACADHN CC[C@H](CO)NCc1cncn1CC 85183052 572701308 /nfs/dbraw/zinc/70/13/08/572701308.db2.gz POPXNDNAHBPWPQ-SECBINFHSA-N 0 3 197.282 0.764 20 0 ACADHN CCn1cncc1CNC[C@@H](C)O 85183123 572702293 /nfs/dbraw/zinc/70/22/93/572702293.db2.gz SGNUBBVQRDSHNU-MRVPVSSYSA-N 0 3 183.255 0.373 20 0 ACADHN NCc1ccnc2nc(C(F)F)nn12 307316949 572702494 /nfs/dbraw/zinc/70/24/94/572702494.db2.gz NZRAAPWFMZOEEN-UHFFFAOYSA-N 0 3 199.164 0.521 20 0 ACADHN CCn1cncc1CN[C@H]1CCOC1 87784568 572716848 /nfs/dbraw/zinc/71/68/48/572716848.db2.gz DKEGLZLUNRFILF-VIFPVBQESA-N 0 3 195.266 0.782 20 0 ACADHN CCNCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 87790900 572718246 /nfs/dbraw/zinc/71/82/46/572718246.db2.gz YJHHCIGOBMITAI-HLTSFMKQSA-N 0 3 198.266 0.032 20 0 ACADHN CN1CC[C@@H](NCc2cnccn2)C1 54766643 572722949 /nfs/dbraw/zinc/72/29/49/572722949.db2.gz OZPRGYCYLPKMKK-SECBINFHSA-N 0 3 192.266 0.270 20 0 ACADHN c1nc(CNCC2CC2)c[nH]1 54762891 572723289 /nfs/dbraw/zinc/72/32/89/572723289.db2.gz IISDCPIILFHDHN-UHFFFAOYSA-N 0 3 151.213 0.909 20 0 ACADHN CN1CC[C@H](NCc2cnccn2)C1 54766642 572723685 /nfs/dbraw/zinc/72/36/85/572723685.db2.gz OZPRGYCYLPKMKK-VIFPVBQESA-N 0 3 192.266 0.270 20 0 ACADHN c1nc(CNC2CCOCC2)c[nH]1 54764139 572724362 /nfs/dbraw/zinc/72/43/62/572724362.db2.gz PGBWJAMWEYHOPG-UHFFFAOYSA-N 0 3 181.239 0.678 20 0 ACADHN CCCN(C)CC(OC)OC 85351015 572728648 /nfs/dbraw/zinc/72/86/48/572728648.db2.gz SGIZJDWKLXHSNS-UHFFFAOYSA-N 0 3 161.245 0.947 20 0 ACADHN NCc1cn(CCCCCCO)nn1 236182564 572730597 /nfs/dbraw/zinc/73/05/97/572730597.db2.gz RQILRPBEMUZNOJ-UHFFFAOYSA-N 0 3 198.270 0.290 20 0 ACADHN COC(CN(C)C1CC1)OC 85350997 572730908 /nfs/dbraw/zinc/73/09/08/572730908.db2.gz WCUGWVDCVCLKNH-UHFFFAOYSA-N 0 3 159.229 0.700 20 0 ACADHN CN(C)CCN(C)c1cc(N)ncn1 87830208 572731290 /nfs/dbraw/zinc/73/12/90/572731290.db2.gz OWHRCPOATBEEDD-UHFFFAOYSA-N 0 3 195.270 0.057 20 0 ACADHN COC(CN1CCC(O)CC1)OC 85351244 572731446 /nfs/dbraw/zinc/73/14/46/572731446.db2.gz IGTSEBIGRYFFOD-UHFFFAOYSA-N 0 3 189.255 0.062 20 0 ACADHN COC(CN1CCC[C@@H]1CO)OC 85351340 572732341 /nfs/dbraw/zinc/73/23/41/572732341.db2.gz ZIWBSMJSMQMOTR-MRVPVSSYSA-N 0 3 189.255 0.062 20 0 ACADHN CC(C)N1CCc2nnc(N)cc2C1 54930996 572732829 /nfs/dbraw/zinc/73/28/29/572732829.db2.gz ZTIOBIBASHTNFD-UHFFFAOYSA-N 0 3 192.266 0.825 20 0 ACADHN COC(CN1CCC[C@H]1CO)OC 85351341 572733375 /nfs/dbraw/zinc/73/33/75/572733375.db2.gz ZIWBSMJSMQMOTR-QMMMGPOBSA-N 0 3 189.255 0.062 20 0 ACADHN COC(CN1CCC[C@H](O)C1)OC 85351361 572733485 /nfs/dbraw/zinc/73/34/85/572733485.db2.gz BAXZXVJSVWSGGS-QMMMGPOBSA-N 0 3 189.255 0.062 20 0 ACADHN COC(CN(CCO)C1CC1)OC 85351398 572733998 /nfs/dbraw/zinc/73/39/98/572733998.db2.gz MMDPUFQDSOBZAE-UHFFFAOYSA-N 0 3 189.255 0.062 20 0 ACADHN COC(CN1CCC[C@@H](O)C1)OC 85351362 572734391 /nfs/dbraw/zinc/73/43/91/572734391.db2.gz BAXZXVJSVWSGGS-MRVPVSSYSA-N 0 3 189.255 0.062 20 0 ACADHN CC(=O)NCCNC/C=C\Cl 307888918 572735181 /nfs/dbraw/zinc/73/51/81/572735181.db2.gz BFADKMFIKHFTDQ-IHWYPQMZSA-N 0 3 176.647 0.465 20 0 ACADHN COCCCN(C)CC(OC)OC 85351502 572735502 /nfs/dbraw/zinc/73/55/02/572735502.db2.gz QPWVYKBREQRPLU-UHFFFAOYSA-N 0 3 191.271 0.574 20 0 ACADHN COC(CN(CCO)C(C)C)OC 85351396 572735968 /nfs/dbraw/zinc/73/59/68/572735968.db2.gz GIKFWGZCQUPMON-UHFFFAOYSA-N 0 3 191.271 0.308 20 0 ACADHN CCNCC(=O)N[C@H]1CCC[C@H]1C 70834122 572747032 /nfs/dbraw/zinc/74/70/32/572747032.db2.gz OVDXEHVGWOORGD-BDAKNGLRSA-N 0 3 184.283 0.901 20 0 ACADHN Cc1cccnc1CNCCCO 70908528 572751943 /nfs/dbraw/zinc/75/19/43/572751943.db2.gz HXKZXBUQNAQSBU-UHFFFAOYSA-N 0 3 180.251 0.862 20 0 ACADHN FC(F)(F)CCOC1CNC1 70914447 572752387 /nfs/dbraw/zinc/75/23/87/572752387.db2.gz NCOKETRYXYIQFG-UHFFFAOYSA-N 0 3 169.146 0.927 20 0 ACADHN C/C=C/C(=O)NC[C@H](C)N(C)C 85500947 572755412 /nfs/dbraw/zinc/75/54/12/572755412.db2.gz RNADNTPUQXXQLP-GJIOHYHPSA-N 0 3 170.256 0.629 20 0 ACADHN C/C=C/C(=O)NC[C@@H](C)N(C)C 85500946 572756431 /nfs/dbraw/zinc/75/64/31/572756431.db2.gz RNADNTPUQXXQLP-HQZHTGGTSA-N 0 3 170.256 0.629 20 0 ACADHN CO[C@H]1CC[C@@H](NC(=O)[C@@H](C)N)C1 234827632 572758505 /nfs/dbraw/zinc/75/85/05/572758505.db2.gz XZQVMIQWUPFVAV-PRJMDXOYSA-N 0 3 186.255 0.017 20 0 ACADHN CO[C@H]1CC[C@@H](NC(=O)[C@H](C)N)C1 234828433 572760209 /nfs/dbraw/zinc/76/02/09/572760209.db2.gz XZQVMIQWUPFVAV-RNJXMRFFSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H](NCc1cc[nH]c1)C(=O)N(C)C 85579062 572762687 /nfs/dbraw/zinc/76/26/87/572762687.db2.gz ZZUGZOCJASRMBG-QMMMGPOBSA-N 0 3 195.266 0.581 20 0 ACADHN CCOC[C@@H](O)CN1CC[C@H]1C 308122837 572766245 /nfs/dbraw/zinc/76/62/45/572766245.db2.gz RTCFVYIFNYYEPG-BDAKNGLRSA-N 0 3 173.256 0.478 20 0 ACADHN c1cc(CNC[C@H]2COCCO2)c[nH]1 85579435 572766756 /nfs/dbraw/zinc/76/67/56/572766756.db2.gz PSKCRRGHJZFQAB-JTQLQIEISA-N 0 3 196.250 0.520 20 0 ACADHN CCOC[C@@H](O)CN1CC[C@@H]1C 308122839 572767115 /nfs/dbraw/zinc/76/71/15/572767115.db2.gz RTCFVYIFNYYEPG-IUCAKERBSA-N 0 3 173.256 0.478 20 0 ACADHN CCCC[C@H](N)C(=O)N1CCC1 308122649 572767361 /nfs/dbraw/zinc/76/73/61/572767361.db2.gz RNEVYCLUWTWVQN-QMMMGPOBSA-N 0 3 170.256 0.736 20 0 ACADHN CCOC[C@H](O)CN1CC[C@@H]1C 308122838 572767616 /nfs/dbraw/zinc/76/76/16/572767616.db2.gz RTCFVYIFNYYEPG-DTWKUNHWSA-N 0 3 173.256 0.478 20 0 ACADHN c1cc(CNC[C@@H]2COCCO2)c[nH]1 85579431 572767921 /nfs/dbraw/zinc/76/79/21/572767921.db2.gz PSKCRRGHJZFQAB-SNVBAGLBSA-N 0 3 196.250 0.520 20 0 ACADHN CCCOC(=O)N[C@@H]1CCN(C)C1 308126077 572771917 /nfs/dbraw/zinc/77/19/17/572771917.db2.gz AYDNEQUSUXFQFJ-MRVPVSSYSA-N 0 3 186.255 0.827 20 0 ACADHN CCCOC(=O)N[C@H]1CCN(C)C1 308126078 572773005 /nfs/dbraw/zinc/77/30/05/572773005.db2.gz AYDNEQUSUXFQFJ-QMMMGPOBSA-N 0 3 186.255 0.827 20 0 ACADHN CCCN(C)C(=O)C1(NC)CCC1 308118852 572777526 /nfs/dbraw/zinc/77/75/26/572777526.db2.gz BVQXWRWPRRDQIK-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CN(CCO)CCC1OCCCO1 85705522 572784202 /nfs/dbraw/zinc/78/42/02/572784202.db2.gz ZBJFOHSOWDXIMF-UHFFFAOYSA-N 0 3 189.255 0.064 20 0 ACADHN CNC1(C(=O)COC)CCC1 307760802 572787228 /nfs/dbraw/zinc/78/72/28/572787228.db2.gz XAGXDMFYEZWDRA-UHFFFAOYSA-N 0 3 157.213 0.344 20 0 ACADHN CO[C@H]1CC[C@H](NC(=O)[C@H](C)N)C1 234844376 572790181 /nfs/dbraw/zinc/79/01/81/572790181.db2.gz XZQVMIQWUPFVAV-FXQIFTODSA-N 0 3 186.255 0.017 20 0 ACADHN CCC(=O)CCN1C[C@H](O)C[C@H]1C 308128164 572791187 /nfs/dbraw/zinc/79/11/87/572791187.db2.gz ANGSNESVDFXIQH-PSASIEDQSA-N 0 3 185.267 0.811 20 0 ACADHN CO[C@H]1CC[C@H](NC(=O)[C@@H](C)N)C1 234843630 572791401 /nfs/dbraw/zinc/79/14/01/572791401.db2.gz XZQVMIQWUPFVAV-CSMHCCOUSA-N 0 3 186.255 0.017 20 0 ACADHN OCCCCNCc1c[nH]cn1 236500330 572791664 /nfs/dbraw/zinc/79/16/64/572791664.db2.gz ORCKMTBJQJUBOA-UHFFFAOYSA-N 0 3 169.228 0.272 20 0 ACADHN OCCCCNCc1cnc[nH]1 236500330 572791665 /nfs/dbraw/zinc/79/16/65/572791665.db2.gz ORCKMTBJQJUBOA-UHFFFAOYSA-N 0 3 169.228 0.272 20 0 ACADHN CCC(=O)CCN1C[C@H](O)C[C@@H]1C 308128166 572791705 /nfs/dbraw/zinc/79/17/05/572791705.db2.gz ANGSNESVDFXIQH-WCBMZHEXSA-N 0 3 185.267 0.811 20 0 ACADHN CCC(=O)CCN1C[C@@H](O)C[C@H]1C 308128165 572792029 /nfs/dbraw/zinc/79/20/29/572792029.db2.gz ANGSNESVDFXIQH-SCZZXKLOSA-N 0 3 185.267 0.811 20 0 ACADHN CCC(=O)CCN1C[C@@H](O)C[C@@H]1C 308128167 572792515 /nfs/dbraw/zinc/79/25/15/572792515.db2.gz ANGSNESVDFXIQH-WPRPVWTQSA-N 0 3 185.267 0.811 20 0 ACADHN CO[C@@H]1CC[C@@H](NC(=O)[C@@H](C)N)C1 234849665 572795556 /nfs/dbraw/zinc/79/55/56/572795556.db2.gz XZQVMIQWUPFVAV-BWZBUEFSSA-N 0 3 186.255 0.017 20 0 ACADHN CO[C@@H]1CC[C@@H](NC(=O)[C@H](C)N)C1 234850513 572805087 /nfs/dbraw/zinc/80/50/87/572805087.db2.gz XZQVMIQWUPFVAV-XLPZGREQSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@@H]1CCn2cc(CN)nc2C1 49804839 572805400 /nfs/dbraw/zinc/80/54/00/572805400.db2.gz TVTMFDAUHYLGNY-SSDOTTSWSA-N 0 3 165.240 0.924 20 0 ACADHN c1c[nH]c(CNC2CCOCC2)n1 49714872 572805717 /nfs/dbraw/zinc/80/57/17/572805717.db2.gz VRHIZMMMQAOZMZ-UHFFFAOYSA-N 0 3 181.239 0.678 20 0 ACADHN CCCCCN(C)[C@@H]1COC[C@H]1O 308137234 572807701 /nfs/dbraw/zinc/80/77/01/572807701.db2.gz IXQMNRPNEODOHY-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN CSCCN(C)[C@@H]1COC[C@H]1O 308138035 572807718 /nfs/dbraw/zinc/80/77/18/572807718.db2.gz FNEQXGDQOZYNAP-HTQZYQBOSA-N 0 3 191.296 0.041 20 0 ACADHN N[C@H](CC1CC1)C(=O)NC1CC1 307942247 572810578 /nfs/dbraw/zinc/81/05/78/572810578.db2.gz DAVJZOCPQZRPEK-MRVPVSSYSA-N 0 3 168.240 0.392 20 0 ACADHN O=S1(=O)CC[C@@]2(CCCCN2)C1 75119433 572818640 /nfs/dbraw/zinc/81/86/40/572818640.db2.gz BNIPKRCSVCAFFB-QMMMGPOBSA-N 0 3 189.280 0.317 20 0 ACADHN OC1CCN(CCn2ccnc2)CC1 49856557 572822707 /nfs/dbraw/zinc/82/27/07/572822707.db2.gz DLVAZFKWTHENLR-UHFFFAOYSA-N 0 3 195.266 0.340 20 0 ACADHN O[C@@H]1CC[C@@H](CNCc2c[nH]cn2)C1 236534642 572825695 /nfs/dbraw/zinc/82/56/95/572825695.db2.gz AQOBDGLUXUVLDO-PSASIEDQSA-N 0 3 195.266 0.660 20 0 ACADHN O[C@@H](CNCCF)CC(F)(F)F 307950687 572825913 /nfs/dbraw/zinc/82/59/13/572825913.db2.gz NXDRXWJAXOTRTR-RXMQYKEDSA-N 0 3 189.152 0.859 20 0 ACADHN O[C@H](CNCCF)CC(F)(F)F 307950688 572826039 /nfs/dbraw/zinc/82/60/39/572826039.db2.gz NXDRXWJAXOTRTR-YFKPBYRVSA-N 0 3 189.152 0.859 20 0 ACADHN O[C@H]1CC[C@@H](CNCc2c[nH]cn2)C1 236565363 572835166 /nfs/dbraw/zinc/83/51/66/572835166.db2.gz AQOBDGLUXUVLDO-SCZZXKLOSA-N 0 3 195.266 0.660 20 0 ACADHN O[C@H]1CC[C@H](CNCc2c[nH]cn2)C1 236577853 572837624 /nfs/dbraw/zinc/83/76/24/572837624.db2.gz AQOBDGLUXUVLDO-WPRPVWTQSA-N 0 3 195.266 0.660 20 0 ACADHN CCN(C)C(=O)[C@@H](N)CC1CC1 307960352 572850815 /nfs/dbraw/zinc/85/08/15/572850815.db2.gz KEJNAGFEFUYGLD-QMMMGPOBSA-N 0 3 170.256 0.592 20 0 ACADHN CCNCC(=O)N1C[C@@H](C)[C@@H](C)C1 86014082 572854616 /nfs/dbraw/zinc/85/46/16/572854616.db2.gz NFHYWYNFOLLYPX-DTORHVGOSA-N 0 3 184.283 0.710 20 0 ACADHN CCNCC(=O)N1C[C@@H](C)[C@H](C)C1 86014085 572855462 /nfs/dbraw/zinc/85/54/62/572855462.db2.gz NFHYWYNFOLLYPX-RKDXNWHRSA-N 0 3 184.283 0.710 20 0 ACADHN CN(CCF)CCN(C)C1CC1 308147093 572855699 /nfs/dbraw/zinc/85/56/99/572855699.db2.gz KRLUDQAHHYZSOD-UHFFFAOYSA-N 0 3 174.263 0.982 20 0 ACADHN CCNCC(=O)N1C[C@H](C)[C@@H](C)C1 86014089 572856343 /nfs/dbraw/zinc/85/63/43/572856343.db2.gz NFHYWYNFOLLYPX-IUCAKERBSA-N 0 3 184.283 0.710 20 0 ACADHN COC(CN[C@H](CO)C(C)C)OC 86120636 572868718 /nfs/dbraw/zinc/86/87/18/572868718.db2.gz UVXHCAVTIBMXSH-MRVPVSSYSA-N 0 3 191.271 0.212 20 0 ACADHN CC(C)[C@@H](CO)NCc1c[nH]cn1 86121856 572869653 /nfs/dbraw/zinc/86/96/53/572869653.db2.gz CIGRNBGBZCPAES-SECBINFHSA-N 0 3 183.255 0.516 20 0 ACADHN CC(C)[C@@H](CO)NCc1cnc[nH]1 86121856 572869656 /nfs/dbraw/zinc/86/96/56/572869656.db2.gz CIGRNBGBZCPAES-SECBINFHSA-N 0 3 183.255 0.516 20 0 ACADHN CO[C@@H](C)CNC1COCCOC1 308161736 572873905 /nfs/dbraw/zinc/87/39/05/572873905.db2.gz XDLQYVDJQHGKII-QMMMGPOBSA-N 0 3 189.255 0.026 20 0 ACADHN CO[C@H](C)CNC1COCCOC1 308161735 572875347 /nfs/dbraw/zinc/87/53/47/572875347.db2.gz XDLQYVDJQHGKII-MRVPVSSYSA-N 0 3 189.255 0.026 20 0 ACADHN C=CC(=O)N(C)C[C@H]1CCCN1C 86188055 572879495 /nfs/dbraw/zinc/87/94/95/572879495.db2.gz SDACOVKRPPOYAQ-SECBINFHSA-N 0 3 182.267 0.725 20 0 ACADHN CCN(OC)C(=O)CNC(C)(C)C 308160411 572881612 /nfs/dbraw/zinc/88/16/12/572881612.db2.gz WKMKFTZWBXZQOL-UHFFFAOYSA-N 0 3 188.271 0.784 20 0 ACADHN CC(C)NC(=O)[C@@H](N)CC1CC1 307971923 572882751 /nfs/dbraw/zinc/88/27/51/572882751.db2.gz YNCIWUJFPXLMQX-QMMMGPOBSA-N 0 3 170.256 0.638 20 0 ACADHN CC(C)NC(=O)[C@H](N)CC1CC1 307971922 572882968 /nfs/dbraw/zinc/88/29/68/572882968.db2.gz YNCIWUJFPXLMQX-MRVPVSSYSA-N 0 3 170.256 0.638 20 0 ACADHN CNC(=O)CN(C)C[Si](C)(C)C 308169877 572889059 /nfs/dbraw/zinc/88/90/59/572889059.db2.gz WGNKMAVRYHXKLX-UHFFFAOYSA-N 0 3 188.347 0.542 20 0 ACADHN CN(CCO)CCC(=O)C1CC1 308172483 572892806 /nfs/dbraw/zinc/89/28/06/572892806.db2.gz XJBOHJLIAGDEJG-UHFFFAOYSA-N 0 3 171.240 0.280 20 0 ACADHN CO[N-]C(=O)CCCC[NH+](C)C 307973762 572893856 /nfs/dbraw/zinc/89/38/56/572893856.db2.gz JBTRUWJAJKLGHE-UHFFFAOYSA-N 0 3 174.244 0.396 20 0 ACADHN CN(CCF)CCN1CCCC1 308163705 572894744 /nfs/dbraw/zinc/89/47/44/572894744.db2.gz SWHKAEQDOVCOLL-UHFFFAOYSA-N 0 3 174.263 0.984 20 0 ACADHN COC(CN1CC=CCC1)OC 308164629 572896268 /nfs/dbraw/zinc/89/62/68/572896268.db2.gz UBQYWDVALAXIAE-UHFFFAOYSA-N 0 3 171.240 0.867 20 0 ACADHN CC(C)N(C)C(=O)[C@H](N)CC1CC1 308172967 572899605 /nfs/dbraw/zinc/89/96/05/572899605.db2.gz DEGPHFYMXOPQHH-SECBINFHSA-N 0 3 184.283 0.981 20 0 ACADHN CC(C)N(C)C(=O)[C@@H](N)CC1CC1 308172968 572901115 /nfs/dbraw/zinc/90/11/15/572901115.db2.gz DEGPHFYMXOPQHH-VIFPVBQESA-N 0 3 184.283 0.981 20 0 ACADHN COC(CN(C)CC(C)(C)O)OC 86274299 572904958 /nfs/dbraw/zinc/90/49/58/572904958.db2.gz UESNRDKGAXSPTR-UHFFFAOYSA-N 0 3 191.271 0.308 20 0 ACADHN CC1(NC(=O)[C@@H](N)CC2CC2)CC1 308179669 572905826 /nfs/dbraw/zinc/90/58/26/572905826.db2.gz GPGNHCGIOWCAIY-QMMMGPOBSA-N 0 3 182.267 0.783 20 0 ACADHN CCC(CC)(CNC(=O)CN)OC 308184707 572908777 /nfs/dbraw/zinc/90/87/77/572908777.db2.gz FHEJITWWZVNMDH-UHFFFAOYSA-N 0 3 188.271 0.267 20 0 ACADHN NC(=O)C[C@H]1CCCN(CCF)C1 308186248 572914743 /nfs/dbraw/zinc/91/47/43/572914743.db2.gz JHSYLIILTFRHNY-MRVPVSSYSA-N 0 3 188.246 0.543 20 0 ACADHN COC(CN(C)CCCF)OC 714604864 572918636 /nfs/dbraw/zinc/91/86/36/572918636.db2.gz BISKKQZFZQSPGU-UHFFFAOYSA-N 0 3 179.235 0.897 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)C(C)(F)F 308192662 572921151 /nfs/dbraw/zinc/92/11/51/572921151.db2.gz PFGWDGJPVPXUSH-LURJTMIESA-N 0 3 194.225 0.708 20 0 ACADHN CCCN1CCCNC(=O)C1 141205675 572923921 /nfs/dbraw/zinc/92/39/21/572923921.db2.gz XDNMLTYPOGNARB-UHFFFAOYSA-N 0 3 156.229 0.218 20 0 ACADHN CCC(=O)CCN(CCO)C1CC1 308191566 572925888 /nfs/dbraw/zinc/92/58/88/572925888.db2.gz OBGOTBBSIWJSJZ-UHFFFAOYSA-N 0 3 185.267 0.812 20 0 ACADHN OC[C@@H](NCc1cn[nH]c1)C1CC1 308200783 572928493 /nfs/dbraw/zinc/92/84/93/572928493.db2.gz XYNCQAGWGZQSQN-SECBINFHSA-N 0 3 181.239 0.270 20 0 ACADHN OC[C@H](NCc1cn[nH]c1)C1CC1 308200784 572928503 /nfs/dbraw/zinc/92/85/03/572928503.db2.gz XYNCQAGWGZQSQN-VIFPVBQESA-N 0 3 181.239 0.270 20 0 ACADHN N[C@@H](CC1CC1)C(=O)N1CCCC1 308202508 572930643 /nfs/dbraw/zinc/93/06/43/572930643.db2.gz WGEZYPOXPAYJMC-VIFPVBQESA-N 0 3 182.267 0.736 20 0 ACADHN CCC(=O)CCN1CCC[C@@H]1CO 308202492 572931802 /nfs/dbraw/zinc/93/18/02/572931802.db2.gz WESKYOQVJXSZCG-SECBINFHSA-N 0 3 185.267 0.812 20 0 ACADHN N[C@H](CC1CC1)C(=O)N1CCCC1 308202507 572931891 /nfs/dbraw/zinc/93/18/91/572931891.db2.gz WGEZYPOXPAYJMC-SECBINFHSA-N 0 3 182.267 0.736 20 0 ACADHN Cc1cnccc1CN[C@@H](C)CO 308203848 572933662 /nfs/dbraw/zinc/93/36/62/572933662.db2.gz XEHGUGNCOSWSTF-VIFPVBQESA-N 0 3 180.251 0.860 20 0 ACADHN Cc1cnccc1CN[C@H](C)CO 308203847 572934037 /nfs/dbraw/zinc/93/40/37/572934037.db2.gz XEHGUGNCOSWSTF-SECBINFHSA-N 0 3 180.251 0.860 20 0 ACADHN COC[C@@H](O)CN(C)CCCF 88026804 572934708 /nfs/dbraw/zinc/93/47/08/572934708.db2.gz MGAQFSPSVHHGLL-QMMMGPOBSA-N 0 3 179.235 0.285 20 0 ACADHN COC[C@H](O)CN(C)CCCF 88026805 572935907 /nfs/dbraw/zinc/93/59/07/572935907.db2.gz MGAQFSPSVHHGLL-MRVPVSSYSA-N 0 3 179.235 0.285 20 0 ACADHN CN(C)CCN(C)C(=O)C(C)(C)F 308207114 572937642 /nfs/dbraw/zinc/93/76/42/572937642.db2.gz ISOJUCNXMDTMRW-UHFFFAOYSA-N 0 3 190.262 0.755 20 0 ACADHN CC(C)COC[C@H](O)CNCCF 308207057 572938922 /nfs/dbraw/zinc/93/89/22/572938922.db2.gz ZQYMNBKFRVIECG-SECBINFHSA-N 0 3 193.262 0.579 20 0 ACADHN C[C@H](CNC(=O)C(C)(C)F)N(C)C 308211994 572943305 /nfs/dbraw/zinc/94/33/05/572943305.db2.gz LNJAWHCKQFDOPF-SSDOTTSWSA-N 0 3 190.262 0.801 20 0 ACADHN CCN(CCO)C[C@@H]1CCC=CO1 308212450 572944360 /nfs/dbraw/zinc/94/43/60/572944360.db2.gz HAMMLLPOVLDHJN-JTQLQIEISA-N 0 3 185.267 0.993 20 0 ACADHN C[C@@H](CNC(=O)C(C)(C)F)N(C)C 308211997 572944554 /nfs/dbraw/zinc/94/45/54/572944554.db2.gz LNJAWHCKQFDOPF-ZETCQYMHSA-N 0 3 190.262 0.801 20 0 ACADHN O=C(CNC1CC1)NCc1ccon1 88053146 572948186 /nfs/dbraw/zinc/94/81/86/572948186.db2.gz IAAIRFBWNSJBHN-UHFFFAOYSA-N 0 3 195.222 0.043 20 0 ACADHN C=C/C=C\CCN1C[C@H](O)[C@H](O)C1 713649886 572955795 /nfs/dbraw/zinc/95/57/95/572955795.db2.gz FAXUXVLGFAUACV-BZDJSAGESA-N 0 3 183.251 0.156 20 0 ACADHN C=C/C=C/CCN1C[C@H](O)[C@H](O)C1 713649887 572955997 /nfs/dbraw/zinc/95/59/97/572955997.db2.gz FAXUXVLGFAUACV-LDYOUVJNSA-N 0 3 183.251 0.156 20 0 ACADHN CCO[N-]C(=O)C[C@H]1CC[C@@H]([NH3+])C1 393486405 572956425 /nfs/dbraw/zinc/95/64/25/572956425.db2.gz FSAKKDBOUUARHF-JGVFFNPUSA-N 0 3 186.255 0.572 20 0 ACADHN CN(CCO)CCCF 59113559 572966237 /nfs/dbraw/zinc/96/62/37/572966237.db2.gz FGSFGHQDAOASHE-UHFFFAOYSA-N 0 3 135.182 0.270 20 0 ACADHN CC(C)(CO)CNCc1c[nH]cn1 88175080 572973042 /nfs/dbraw/zinc/97/30/42/572973042.db2.gz DWPODVIYCXJPBR-UHFFFAOYSA-N 0 3 183.255 0.518 20 0 ACADHN CC(C)(CO)CNCc1cnc[nH]1 88175080 572973045 /nfs/dbraw/zinc/97/30/45/572973045.db2.gz DWPODVIYCXJPBR-UHFFFAOYSA-N 0 3 183.255 0.518 20 0 ACADHN C[C@@H]1CCN(CCF)[C@H]1CO 299908852 572980138 /nfs/dbraw/zinc/98/01/38/572980138.db2.gz JDZKFBLGFQQKJT-SFYZADRCSA-N 0 3 161.220 0.659 20 0 ACADHN C[C@H]1CCN(CCF)[C@H]1CO 299908853 572980558 /nfs/dbraw/zinc/98/05/58/572980558.db2.gz JDZKFBLGFQQKJT-YUMQZZPRSA-N 0 3 161.220 0.659 20 0 ACADHN CC[C@H](CO)NC(=O)[C@](C)(N)CC 86802054 572981959 /nfs/dbraw/zinc/98/19/59/572981959.db2.gz UYIATGGBJQHIHE-VXNVDRBHSA-N 0 3 188.271 0.001 20 0 ACADHN CC[C@H](CO)NC(=O)[C@@](C)(N)CC 86802059 572981989 /nfs/dbraw/zinc/98/19/89/572981989.db2.gz UYIATGGBJQHIHE-APPZFPTMSA-N 0 3 188.271 0.001 20 0 ACADHN CC[C@@H](CO)NC(=O)[C@@](C)(N)CC 86802058 572982520 /nfs/dbraw/zinc/98/25/20/572982520.db2.gz UYIATGGBJQHIHE-CBAPKCEASA-N 0 3 188.271 0.001 20 0 ACADHN COC(=O)NC[C@@H]1CCN(C2CC2)C1 82358217 572993932 /nfs/dbraw/zinc/99/39/32/572993932.db2.gz JBLCQJGSBADJQZ-QMMMGPOBSA-N 0 3 198.266 0.827 20 0 ACADHN COC(=O)NC[C@H]1CCN(C2CC2)C1 82358218 572995673 /nfs/dbraw/zinc/99/56/73/572995673.db2.gz JBLCQJGSBADJQZ-MRVPVSSYSA-N 0 3 198.266 0.827 20 0 ACADHN C[C@@H](CNC(=O)N1CCC1)N(C)C 308218287 573000747 /nfs/dbraw/zinc/00/07/47/573000747.db2.gz AYGVILOVLFQULV-QMMMGPOBSA-N 0 3 185.271 0.352 20 0 ACADHN CCCN[C@@H](C)c1cnnn1C 128344322 573001982 /nfs/dbraw/zinc/00/19/82/573001982.db2.gz YRSJOZHMFLWXCI-ZETCQYMHSA-N 0 3 168.244 0.876 20 0 ACADHN COC[C@@H](O)CN1CC[C@H]1C 123427502 573008463 /nfs/dbraw/zinc/00/84/63/573008463.db2.gz TZBLEVVMEXZKLM-SFYZADRCSA-N 0 3 159.229 0.088 20 0 ACADHN CCOC(=O)CC1(N)CSC1 238257014 573012210 /nfs/dbraw/zinc/01/22/10/573012210.db2.gz NVHMSYJQAFHFMN-UHFFFAOYSA-N 0 3 175.253 0.384 20 0 ACADHN Cc1n[nH]cc1CN[C@@H](C)[C@@H](C)O 308223080 573012580 /nfs/dbraw/zinc/01/25/80/573012580.db2.gz CZISEGXEXZFWNC-POYBYMJQSA-N 0 3 183.255 0.577 20 0 ACADHN Cc1n[nH]cc1CN[C@@H](C)[C@H](C)O 308223569 573012991 /nfs/dbraw/zinc/01/29/91/573012991.db2.gz CZISEGXEXZFWNC-XPUUQOCRSA-N 0 3 183.255 0.577 20 0 ACADHN CC(C)(C)[C@H](N)C(=O)N1CCC1 113623807 573015790 /nfs/dbraw/zinc/01/57/90/573015790.db2.gz BTEWYVYQEYNZAY-SSDOTTSWSA-N 0 3 170.256 0.592 20 0 ACADHN Cc1n[nH]cc1CN[C@H](C)[C@H](C)O 308223081 573015823 /nfs/dbraw/zinc/01/58/23/573015823.db2.gz CZISEGXEXZFWNC-SVRRBLITSA-N 0 3 183.255 0.577 20 0 ACADHN Cc1n[nH]cc1CN[C@H](C)[C@@H](C)O 308223079 573016584 /nfs/dbraw/zinc/01/65/84/573016584.db2.gz CZISEGXEXZFWNC-HTRCEHHLSA-N 0 3 183.255 0.577 20 0 ACADHN Cc1cc([C@@H](C)NCCO)n(C)n1 308224082 573017008 /nfs/dbraw/zinc/01/70/08/573017008.db2.gz DFGLPKFRHKTANV-MRVPVSSYSA-N 0 3 183.255 0.371 20 0 ACADHN Cn1cncc1CNC1CCOCC1 82394419 573021764 /nfs/dbraw/zinc/02/17/64/573021764.db2.gz XLZKUCMULQYBCU-UHFFFAOYSA-N 0 3 195.266 0.689 20 0 ACADHN CC(C)(C)NCC(=O)Nc1cc[nH]n1 82397569 573022278 /nfs/dbraw/zinc/02/22/78/573022278.db2.gz DVXHSHXIBKULOQ-UHFFFAOYSA-N 0 3 196.254 0.736 20 0 ACADHN Cc1cc([C@H](C)N)n(C)n1 82410459 573032187 /nfs/dbraw/zinc/03/21/87/573032187.db2.gz CXEIEACTYOVXOR-LURJTMIESA-N 0 3 139.202 0.748 20 0 ACADHN COc1cccc(C)c1[C@@H](N)CN 104580514 573033678 /nfs/dbraw/zinc/03/36/78/573033678.db2.gz NDOQYBATTZCKML-QMMMGPOBSA-N 0 3 180.251 0.962 20 0 ACADHN CN1CC[C@@H](NCc2cncn2C)C1 82432842 573035946 /nfs/dbraw/zinc/03/59/46/573035946.db2.gz KJXFHEIHRGJLCD-SECBINFHSA-N 0 3 194.282 0.214 20 0 ACADHN CCN(CCCCF)CC(=O)NC 308237454 573037501 /nfs/dbraw/zinc/03/75/01/573037501.db2.gz RHWJPTXGVFGPJS-UHFFFAOYSA-N 0 3 190.262 0.804 20 0 ACADHN CN1CC[C@H](NCc2cncn2C)C1 82432843 573039608 /nfs/dbraw/zinc/03/96/08/573039608.db2.gz KJXFHEIHRGJLCD-VIFPVBQESA-N 0 3 194.282 0.214 20 0 ACADHN CCN(CC)CC(=O)NC1(C)CC1 308247627 573045119 /nfs/dbraw/zinc/04/51/19/573045119.db2.gz XXHHNSXYIDEGFD-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN COC(=O)NC1(CN(C)C)CCC1 308249488 573052536 /nfs/dbraw/zinc/05/25/36/573052536.db2.gz DUPSDWIUBINQKA-UHFFFAOYSA-N 0 3 186.255 0.827 20 0 ACADHN NC1(C(=O)NC2CCOCC2)CCC1 88050431 573052834 /nfs/dbraw/zinc/05/28/34/573052834.db2.gz MLHSYMIYHQOTRC-UHFFFAOYSA-N 0 3 198.266 0.163 20 0 ACADHN CC(C)(N)C(=O)NCc1ccon1 88053062 573053274 /nfs/dbraw/zinc/05/32/74/573053274.db2.gz NPIATVKAMZJIOV-UHFFFAOYSA-N 0 3 183.211 0.028 20 0 ACADHN NC1(C(=O)NCc2ccon2)CCC1 88052960 573053661 /nfs/dbraw/zinc/05/36/61/573053661.db2.gz ACDVOGUUNQSBSE-UHFFFAOYSA-N 0 3 195.222 0.172 20 0 ACADHN NC1(C(=O)NC[C@H]2CCOC2)CCC1 88050516 573054592 /nfs/dbraw/zinc/05/45/92/573054592.db2.gz RYVKIPWEVPQMDW-MRVPVSSYSA-N 0 3 198.266 0.021 20 0 ACADHN NC1(C(=O)Nc2nccs2)CCC1 88049943 573059085 /nfs/dbraw/zinc/05/90/85/573059085.db2.gz HRZMPTFFOLYSNM-UHFFFAOYSA-N 0 3 197.263 0.963 20 0 ACADHN NC1(C(=O)NC[C@@H]2CCOC2)CCC1 88050515 573059266 /nfs/dbraw/zinc/05/92/66/573059266.db2.gz RYVKIPWEVPQMDW-QMMMGPOBSA-N 0 3 198.266 0.021 20 0 ACADHN O=C1C[C@@H]2NCCC[C@H]2O1 104610963 573067830 /nfs/dbraw/zinc/06/78/30/573067830.db2.gz WNSHABHYIUVHKO-NTSWFWBYSA-N 0 3 141.170 0.054 20 0 ACADHN O=C1C[C@H]2NCCC[C@H]2O1 104610953 573068381 /nfs/dbraw/zinc/06/83/81/573068381.db2.gz WNSHABHYIUVHKO-PHDIDXHHSA-N 0 3 141.170 0.054 20 0 ACADHN C[C@H]1CN(CC[C@@H](C)O)CCN1C 82484405 573068415 /nfs/dbraw/zinc/06/84/15/573068415.db2.gz KTUXSGRNYDEZMA-VHSXEESVSA-N 0 3 186.299 0.393 20 0 ACADHN O=C1C[C@@H]2NCCC[C@@H]2O1 104610968 573068700 /nfs/dbraw/zinc/06/87/00/573068700.db2.gz WNSHABHYIUVHKO-WDSKDSINSA-N 0 3 141.170 0.054 20 0 ACADHN O=C1C[C@H]2NCCC[C@@H]2O1 104610959 573068884 /nfs/dbraw/zinc/06/88/84/573068884.db2.gz WNSHABHYIUVHKO-RITPCOANSA-N 0 3 141.170 0.054 20 0 ACADHN C[C@H]1CN(C[C@@H](C)O)CCN1C 82484231 573070341 /nfs/dbraw/zinc/07/03/41/573070341.db2.gz YZELFDBHTIQLLM-DTWKUNHWSA-N 0 3 172.272 0.003 20 0 ACADHN CO[C@@H](C)CC(=O)NCCN(C)C 308254151 573071349 /nfs/dbraw/zinc/07/13/49/573071349.db2.gz HWIHXAIAULUFIP-QMMMGPOBSA-N 0 3 188.271 0.089 20 0 ACADHN C[C@@H](O)CN1CCN(C)[C@H](C)C1 82484230 573074115 /nfs/dbraw/zinc/07/41/15/573074115.db2.gz YZELFDBHTIQLLM-RKDXNWHRSA-N 0 3 172.272 0.003 20 0 ACADHN C[C@@H](O)CCN1CCN(C)[C@H](C)C1 82484404 573074720 /nfs/dbraw/zinc/07/47/20/573074720.db2.gz KTUXSGRNYDEZMA-NXEZZACHSA-N 0 3 186.299 0.393 20 0 ACADHN COC(=O)N1CC(NCC2(C)CC2)C1 308492293 573079835 /nfs/dbraw/zinc/07/98/35/573079835.db2.gz CAZGDJPRCGGPAU-UHFFFAOYSA-N 0 3 198.266 0.827 20 0 ACADHN OCCNCc1cc[nH]c1 82522325 573085418 /nfs/dbraw/zinc/08/54/18/573085418.db2.gz RBFKLKYRZBZOFT-UHFFFAOYSA-N 0 3 140.186 0.097 20 0 ACADHN CCNCC(=O)Nc1ccncc1C 82523269 573085940 /nfs/dbraw/zinc/08/59/40/573085940.db2.gz FGXOIRNVQUGGSX-UHFFFAOYSA-N 0 3 193.250 0.938 20 0 ACADHN C/C=C/C(=O)N1CCCN(C)CC1 82551565 573096293 /nfs/dbraw/zinc/09/62/93/573096293.db2.gz WQWWKFGQGTZWPW-HWKANZROSA-N 0 3 182.267 0.727 20 0 ACADHN COCC1(NCc2cnc[nH]2)CC1 308255894 573097868 /nfs/dbraw/zinc/09/78/68/573097868.db2.gz JFOXZQQQZMIXMJ-UHFFFAOYSA-N 0 3 181.239 0.678 20 0 ACADHN CC[C@H](CO)NCc1cc(C)[nH]n1 308262573 573108335 /nfs/dbraw/zinc/10/83/35/573108335.db2.gz NMQBCLLZGAKLOG-MRVPVSSYSA-N 0 3 183.255 0.579 20 0 ACADHN CC[C@H](CO)NCc1cc(C)n[nH]1 308262573 573108340 /nfs/dbraw/zinc/10/83/40/573108340.db2.gz NMQBCLLZGAKLOG-MRVPVSSYSA-N 0 3 183.255 0.579 20 0 ACADHN C[C@@H](C[NH3+])NC(=O)c1ccccc1[O-] 82577081 573110787 /nfs/dbraw/zinc/11/07/87/573110787.db2.gz RHQJMHCEKCHIIX-ZETCQYMHSA-N 0 3 194.234 0.469 20 0 ACADHN O[C@]1(C(F)(F)F)CCNC[C@@H]1F 306481983 573119645 /nfs/dbraw/zinc/11/96/45/573119645.db2.gz KJZOLOJJHHQFKF-CRCLSJGQSA-N 0 3 187.136 0.611 20 0 ACADHN CC(C)(C)NCC(=O)Nc1cn[nH]c1 88442218 573120874 /nfs/dbraw/zinc/12/08/74/573120874.db2.gz POTZKPQLVPMNAW-UHFFFAOYSA-N 0 3 196.254 0.736 20 0 ACADHN CCNCC(=O)Nc1cccnc1C 85727883 573128917 /nfs/dbraw/zinc/12/89/17/573128917.db2.gz LVXXDICSOAEJOO-UHFFFAOYSA-N 0 3 193.250 0.938 20 0 ACADHN N[C@@H](CCO)c1ccncc1F 104660227 573136139 /nfs/dbraw/zinc/13/61/39/573136139.db2.gz IVNDWFRARHKBGY-QMMMGPOBSA-N 0 3 170.187 0.603 20 0 ACADHN CN(CCF)C1(CO)CCOCC1 308281291 573138500 /nfs/dbraw/zinc/13/85/00/573138500.db2.gz XYFMVALILLVBFS-UHFFFAOYSA-N 0 3 191.246 0.429 20 0 ACADHN CN(CC1CC1)C(=O)[C@H](N)CC1CC1 308502718 573145006 /nfs/dbraw/zinc/14/50/06/573145006.db2.gz XGFWOMLSAJADAA-SNVBAGLBSA-N 0 3 196.294 0.982 20 0 ACADHN N[C@@H](CCO)c1ccc(F)nc1 104668320 573148909 /nfs/dbraw/zinc/14/89/09/573148909.db2.gz SBVMSJYNKBOPDB-ZETCQYMHSA-N 0 3 170.187 0.603 20 0 ACADHN NC(=O)C1(NC[C@H]2CCC=CO2)CC1 308504792 573148951 /nfs/dbraw/zinc/14/89/51/573148951.db2.gz CZVXNXUHJQOMNP-MRVPVSSYSA-N 0 3 196.250 0.287 20 0 ACADHN CCNCC(=O)NCC[C@@H](C)OC 308288362 573149288 /nfs/dbraw/zinc/14/92/88/573149288.db2.gz BJICUZICWDZLBM-MRVPVSSYSA-N 0 3 188.271 0.137 20 0 ACADHN CCNCC(=O)NCC[C@H](C)OC 308288363 573150588 /nfs/dbraw/zinc/15/05/88/573150588.db2.gz BJICUZICWDZLBM-QMMMGPOBSA-N 0 3 188.271 0.137 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1CCO[C@H]1C1CC1 235501115 573151560 /nfs/dbraw/zinc/15/15/60/573151560.db2.gz TWQVJAOUJQRWHI-ZQARSLAVSA-N 0 3 198.266 0.017 20 0 ACADHN COC(=O)[C@H]1CCC[C@@H]1NCCF 308506774 573153493 /nfs/dbraw/zinc/15/34/93/573153493.db2.gz ZNURLDVYLYZDCK-YUMQZZPRSA-N 0 3 189.230 0.887 20 0 ACADHN C[C@H](O)[C@@H](N)c1ccccc1N 104666843 573155177 /nfs/dbraw/zinc/15/51/77/573155177.db2.gz VDWXMALBALMJRC-IMTBSYHQSA-N 0 3 166.224 0.649 20 0 ACADHN Cn1cncc1CN[C@@H](CO)C1CC1 308506700 573156408 /nfs/dbraw/zinc/15/64/08/573156408.db2.gz FUSXCGYWSPDZDA-JTQLQIEISA-N 0 3 195.266 0.281 20 0 ACADHN COC(=O)[C@@H]1CCC[C@H]1NCCF 308506764 573157763 /nfs/dbraw/zinc/15/77/63/573157763.db2.gz ZNURLDVYLYZDCK-HTQZYQBOSA-N 0 3 189.230 0.887 20 0 ACADHN Cn1cncc1CN[C@H](CO)C1CC1 308506702 573158102 /nfs/dbraw/zinc/15/81/02/573158102.db2.gz FUSXCGYWSPDZDA-SNVBAGLBSA-N 0 3 195.266 0.281 20 0 ACADHN Cc1ccc([C@H](N)CCO)nc1 82707499 573158850 /nfs/dbraw/zinc/15/88/50/573158850.db2.gz HMCAYXIXNVKGDQ-MRVPVSSYSA-N 0 3 166.224 0.772 20 0 ACADHN C[C@@H](O)[C@@H](N)c1ccccc1N 104672093 573159820 /nfs/dbraw/zinc/15/98/20/573159820.db2.gz VDWXMALBALMJRC-HZGVNTEJSA-N 0 3 166.224 0.649 20 0 ACADHN O[C@H](CNC1CC1)C(F)(F)F 82680441 573160189 /nfs/dbraw/zinc/16/01/89/573160189.db2.gz WBTIYYFLOYMEDV-RXMQYKEDSA-N 0 3 169.146 0.662 20 0 ACADHN Cc1ccc([C@@H](N)CCO)nc1 82707500 573161673 /nfs/dbraw/zinc/16/16/73/573161673.db2.gz HMCAYXIXNVKGDQ-QMMMGPOBSA-N 0 3 166.224 0.772 20 0 ACADHN CC(C)NC[C@H](O)C(F)(F)F 82680442 573162422 /nfs/dbraw/zinc/16/24/22/573162422.db2.gz FUCMZFYSCPTXCQ-YFKPBYRVSA-N 0 3 171.162 0.908 20 0 ACADHN CCC(=O)NCCN1CCC[C@H]1C 308291064 573171188 /nfs/dbraw/zinc/17/11/88/573171188.db2.gz HEBITNRFWLHMMS-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN COC(=O)c1cccc2c1OC[C@H]2N 104675532 573173158 /nfs/dbraw/zinc/17/31/58/573173158.db2.gz RKNYRLQHRNHEPV-MRVPVSSYSA-N 0 3 193.202 0.865 20 0 ACADHN OC[C@@H](NCc1ccncc1)C1CC1 308509818 573178372 /nfs/dbraw/zinc/17/83/72/573178372.db2.gz IRRSLSNTKGLLEE-LLVKDONJSA-N 0 3 192.262 0.942 20 0 ACADHN COC(=O)c1ccc2c(c1)OC[C@@H]2N 104682143 573178944 /nfs/dbraw/zinc/17/89/44/573178944.db2.gz AIFFLXZRXCBASW-QMMMGPOBSA-N 0 3 193.202 0.865 20 0 ACADHN NC(=O)C1(NC[C@@H]2CCCOC2)CC1 308513514 573180456 /nfs/dbraw/zinc/18/04/56/573180456.db2.gz LTXUOZNEXNBENR-QMMMGPOBSA-N 0 3 198.266 0.021 20 0 ACADHN NC(=O)C1(NC[C@H]2CCCOC2)CC1 308513512 573182470 /nfs/dbraw/zinc/18/24/70/573182470.db2.gz LTXUOZNEXNBENR-MRVPVSSYSA-N 0 3 198.266 0.021 20 0 ACADHN COC(=O)N(C)CCN(C)C1CC1 308301416 573193192 /nfs/dbraw/zinc/19/31/92/573193192.db2.gz KUOWXCSISAITPY-UHFFFAOYSA-N 0 3 186.255 0.779 20 0 ACADHN CCOC[C@@H](O)CN1CCC1(C)C 308305853 573196938 /nfs/dbraw/zinc/19/69/38/573196938.db2.gz NYASDKYUVIWNDF-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H](N)C(=O)N1C[C@H](F)[C@H](F)C1 714657857 573221441 /nfs/dbraw/zinc/22/14/41/573221441.db2.gz KIVLTAOJIUYGSF-DSYKOEDSSA-N 0 3 192.209 0.242 20 0 ACADHN CCNCC(=O)Nc1cc(CC)[nH]n1 129125612 573221750 /nfs/dbraw/zinc/22/17/50/573221750.db2.gz ZPLVYSMOPRAHBT-UHFFFAOYSA-N 0 3 196.254 0.520 20 0 ACADHN Cc1cnc([C@H](C)N)cn1 82837003 573223635 /nfs/dbraw/zinc/22/36/35/573223635.db2.gz IGKCRUAAZQAMEK-LURJTMIESA-N 0 3 137.186 0.805 20 0 ACADHN Cc1cn2c3c(cnc2n1)CNCC3 235992928 573223694 /nfs/dbraw/zinc/22/36/94/573223694.db2.gz YSTCSGFNKRIYTQ-UHFFFAOYSA-N 0 3 188.234 0.683 20 0 ACADHN Cn1cc(C2(N)CCC2)nn1 82841672 573226334 /nfs/dbraw/zinc/22/63/34/573226334.db2.gz ZSWKWWNHSUTEGM-UHFFFAOYSA-N 0 3 152.201 0.153 20 0 ACADHN COC(CN(C)CC[C@@H](C)O)OC 125950051 573232146 /nfs/dbraw/zinc/23/21/46/573232146.db2.gz ULXWXBBPNIDBAA-MRVPVSSYSA-N 0 3 191.271 0.308 20 0 ACADHN C=CC(=O)NC1(CN(C)C)CCC1 393512180 573246129 /nfs/dbraw/zinc/24/61/29/573246129.db2.gz UTKAYRJNAOYOJD-UHFFFAOYSA-N 0 3 182.267 0.773 20 0 ACADHN OC[C@@H](NCc1ccccn1)C1CC1 308523446 573249058 /nfs/dbraw/zinc/24/90/58/573249058.db2.gz VQAQLHZDTQWZFM-LLVKDONJSA-N 0 3 192.262 0.942 20 0 ACADHN CCN(C)CCNC(=O)[C@H]1C[C@@H]1C 308327793 573253323 /nfs/dbraw/zinc/25/33/23/573253323.db2.gz GRAWDEIXDSVBSB-IUCAKERBSA-N 0 3 184.283 0.710 20 0 ACADHN CCN(C)CCNC(=O)CC1CC1 308327795 573254068 /nfs/dbraw/zinc/25/40/68/573254068.db2.gz GRCIPRUVKOIBAC-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CCCCNC(=O)[C@@]1(F)CCNC1 308529456 573254209 /nfs/dbraw/zinc/25/42/09/573254209.db2.gz YUPQVOLHLOSWAN-SECBINFHSA-N 0 3 188.246 0.604 20 0 ACADHN OCC[C@H](NCc1ccno1)C1CC1 308531054 573261875 /nfs/dbraw/zinc/26/18/75/573261875.db2.gz ZVEGRJUQGYSRKR-JTQLQIEISA-N 0 3 196.250 0.925 20 0 ACADHN NC(=O)C1(N[C@H]2CC[C@H]2C2CC2)CC1 308532414 573266269 /nfs/dbraw/zinc/26/62/69/573266269.db2.gz BLXYGJZBJUODDS-IUCAKERBSA-N 0 3 194.278 0.783 20 0 ACADHN NC(=O)C1(N[C@@H]2CC[C@H]2C2CC2)CC1 308532410 573267915 /nfs/dbraw/zinc/26/79/15/573267915.db2.gz BLXYGJZBJUODDS-DTWKUNHWSA-N 0 3 194.278 0.783 20 0 ACADHN NC(=O)C1(N[C@H]2CC[C@@H]2C2CC2)CC1 308532408 573269561 /nfs/dbraw/zinc/26/95/61/573269561.db2.gz BLXYGJZBJUODDS-BDAKNGLRSA-N 0 3 194.278 0.783 20 0 ACADHN Cc1cccc(COC2CNC2)n1 86136464 573269733 /nfs/dbraw/zinc/26/97/33/573269733.db2.gz QVAMIHZSYNESAO-UHFFFAOYSA-N 0 3 178.235 0.878 20 0 ACADHN COCCN(C)C1(CO)CC1 393580422 573278627 /nfs/dbraw/zinc/27/86/27/573278627.db2.gz MAJGWDHGJBRUIL-UHFFFAOYSA-N 0 3 159.229 0.090 20 0 ACADHN C=CC(=O)N(C)C[C@@H]1CCCN1C 86188057 573287645 /nfs/dbraw/zinc/28/76/45/573287645.db2.gz SDACOVKRPPOYAQ-VIFPVBQESA-N 0 3 182.267 0.725 20 0 ACADHN OC[C@@H]1CCCN1CCF 86194685 573296361 /nfs/dbraw/zinc/29/63/61/573296361.db2.gz XRPVTUDBHHBGBM-ZETCQYMHSA-N 0 3 147.193 0.413 20 0 ACADHN CCn1cncc1CN[C@@H](C)CCO 132416532 573309327 /nfs/dbraw/zinc/30/93/27/573309327.db2.gz SDOLFKKBQYNXGE-VIFPVBQESA-N 0 3 197.282 0.764 20 0 ACADHN OC1(CCNCc2c[nH]cn2)CCC1 308551175 573317416 /nfs/dbraw/zinc/31/74/16/573317416.db2.gz XJSAVZDOFPWYID-UHFFFAOYSA-N 0 3 195.266 0.804 20 0 ACADHN OC1(CCNCc2cnc[nH]2)CCC1 308551175 573317418 /nfs/dbraw/zinc/31/74/18/573317418.db2.gz XJSAVZDOFPWYID-UHFFFAOYSA-N 0 3 195.266 0.804 20 0 ACADHN CC1CCN(C(=O)OC2CNC2)CC1 86230772 573320791 /nfs/dbraw/zinc/32/07/91/573320791.db2.gz MMRYVLRGCKGJAA-UHFFFAOYSA-N 0 3 198.266 0.827 20 0 ACADHN C[C@@H]1CCCN(C(=O)OC2CNC2)C1 86230763 573321689 /nfs/dbraw/zinc/32/16/89/573321689.db2.gz QFDRQZXJVFKIQU-MRVPVSSYSA-N 0 3 198.266 0.827 20 0 ACADHN CCNCC(=O)N(C)C(C)(C)C 258629367 573323420 /nfs/dbraw/zinc/32/34/20/573323420.db2.gz CUAKZMGQFADKRK-UHFFFAOYSA-N 0 3 172.272 0.853 20 0 ACADHN CN(C)C(=O)CNC[C@@H]1CCC=CO1 50267884 573336086 /nfs/dbraw/zinc/33/60/86/573336086.db2.gz OVXOIAKOILNLAI-VIFPVBQESA-N 0 3 198.266 0.357 20 0 ACADHN CCNC(=O)CNC[C@H]1CCC=CO1 50267951 573339765 /nfs/dbraw/zinc/33/97/65/573339765.db2.gz WXGYXYVMSMVFGO-SECBINFHSA-N 0 3 198.266 0.405 20 0 ACADHN C[C@H](CCO)NC[C@H](O)c1ccco1 132904900 573349486 /nfs/dbraw/zinc/34/94/86/573349486.db2.gz KQXPPLAGZNNEFG-BDAKNGLRSA-N 0 3 199.250 0.674 20 0 ACADHN C[C@H](CCO)NC[C@@H](O)c1ccco1 132905306 573351425 /nfs/dbraw/zinc/35/14/25/573351425.db2.gz KQXPPLAGZNNEFG-RKDXNWHRSA-N 0 3 199.250 0.674 20 0 ACADHN C[C@@H](CN)C(=O)N=c1sccn1C 308561991 573354696 /nfs/dbraw/zinc/35/46/96/573354696.db2.gz FVEMVLSJOUMRTE-LURJTMIESA-N 0 3 199.279 0.109 20 0 ACADHN CC1(C[C@@H](N)C(N)=O)CCCC1 117651702 573358133 /nfs/dbraw/zinc/35/81/33/573358133.db2.gz GZUUKNVQJRUYTD-SSDOTTSWSA-N 0 3 170.256 0.769 20 0 ACADHN CC(C)CN(CC[NH3+])CCC(=O)[O-] 259428358 573367867 /nfs/dbraw/zinc/36/78/67/573367867.db2.gz NTFHHILTTAGCNR-UHFFFAOYSA-N 0 3 188.271 0.378 20 0 ACADHN CCCCCCN1C[C@H](O)[C@H](O)C1 86331333 573367959 /nfs/dbraw/zinc/36/79/59/573367959.db2.gz CSTDHBFJDZUGMY-AOOOYVTPSA-N 0 3 187.283 0.604 20 0 ACADHN C[C@@H](O)CN(C)C[C@H]1CCC=CO1 308365546 573368066 /nfs/dbraw/zinc/36/80/66/573368066.db2.gz HIWKYYXLABQRIA-NXEZZACHSA-N 0 3 185.267 0.992 20 0 ACADHN C[C@@H](O)CN(C)C[C@@H]1CCC=CO1 308365563 573368085 /nfs/dbraw/zinc/36/80/85/573368085.db2.gz HIWKYYXLABQRIA-ZJUUUORDSA-N 0 3 185.267 0.992 20 0 ACADHN C[C@H](O)CN(C)C[C@H]1CCC=CO1 308365557 573368163 /nfs/dbraw/zinc/36/81/63/573368163.db2.gz HIWKYYXLABQRIA-VHSXEESVSA-N 0 3 185.267 0.992 20 0 ACADHN CN(C)CCNC(=O)c1ccns1 74704444 573375439 /nfs/dbraw/zinc/37/54/39/573375439.db2.gz KOUIAGLNGVQNBL-UHFFFAOYSA-N 0 3 199.279 0.435 20 0 ACADHN CCN(CC(=O)NC)C[C@@H]1C[C@H]1C 308375858 573375612 /nfs/dbraw/zinc/37/56/12/573375612.db2.gz SDSCKPCTVRZFFE-BDAKNGLRSA-N 0 3 184.283 0.710 20 0 ACADHN CCN(CC(=O)NC)C[C@H]1C[C@@H]1C 308375859 573377130 /nfs/dbraw/zinc/37/71/30/573377130.db2.gz SDSCKPCTVRZFFE-DTWKUNHWSA-N 0 3 184.283 0.710 20 0 ACADHN CCN(CC(=O)NC)C[C@@H]1C[C@@H]1C 308375860 573377169 /nfs/dbraw/zinc/37/71/69/573377169.db2.gz SDSCKPCTVRZFFE-IUCAKERBSA-N 0 3 184.283 0.710 20 0 ACADHN CCN(CC(=O)NC)C[C@H]1C[C@H]1C 308375861 573377582 /nfs/dbraw/zinc/37/75/82/573377582.db2.gz SDSCKPCTVRZFFE-RKDXNWHRSA-N 0 3 184.283 0.710 20 0 ACADHN CC[C@H](CO)NCc1cnc(C)cn1 308572493 573400603 /nfs/dbraw/zinc/40/06/03/573400603.db2.gz CLAIEKVJGFQDBI-SECBINFHSA-N 0 3 195.266 0.646 20 0 ACADHN CO[N-]C(=O)CCC(C)(C)[NH3+] 83116355 573404028 /nfs/dbraw/zinc/40/40/28/573404028.db2.gz GLPQFLOJSUWMLF-UHFFFAOYSA-N 0 3 160.217 0.182 20 0 ACADHN COC(=O)NC[C@H]1CCN(C)C1 74864423 573404561 /nfs/dbraw/zinc/40/45/61/573404561.db2.gz UZHXYEKZEWNCCL-SSDOTTSWSA-N 0 3 172.228 0.294 20 0 ACADHN C[C@H]1CN[C@H](C)CN1C(=O)NC1CC1 83118473 573406012 /nfs/dbraw/zinc/40/60/12/573406012.db2.gz LVUSLUBZQOICTC-SFYZADRCSA-N 0 3 197.282 0.541 20 0 ACADHN CCO[N-]C(=O)[C@@H]1CCC[C@@H]1[NH3+] 83116615 573407147 /nfs/dbraw/zinc/40/71/47/573407147.db2.gz PLIJHQHWXDCDKJ-RQJHMYQMSA-N 0 3 172.228 0.182 20 0 ACADHN CO[N-]C(=O)CC1CC[NH2+]CC1 83116444 573407707 /nfs/dbraw/zinc/40/77/07/573407707.db2.gz MNLSRXRWVBLGNG-UHFFFAOYSA-N 0 3 172.228 0.054 20 0 ACADHN C[C@H]1CN(C(=O)NC2CC2)[C@@H](C)CN1 83118475 573408696 /nfs/dbraw/zinc/40/86/96/573408696.db2.gz LVUSLUBZQOICTC-YUMQZZPRSA-N 0 3 197.282 0.541 20 0 ACADHN C[C@H]1CN(C(=O)NC2CC2)[C@H](C)CN1 83118474 573408723 /nfs/dbraw/zinc/40/87/23/573408723.db2.gz LVUSLUBZQOICTC-JGVFFNPUSA-N 0 3 197.282 0.541 20 0 ACADHN CC(C)[C@@H](CO)NCc1cn(C)cn1 308577769 573409738 /nfs/dbraw/zinc/40/97/38/573409738.db2.gz NOABNFJMUBWAAQ-SNVBAGLBSA-N 0 3 197.282 0.527 20 0 ACADHN COC(=O)NC1CCN(C2CC2)CC1 74910801 573414227 /nfs/dbraw/zinc/41/42/27/573414227.db2.gz QYRXDYSQLHVPSA-UHFFFAOYSA-N 0 3 198.266 0.969 20 0 ACADHN C[C@@H]1CCC[C@@H]([C@H](N)C(N)=O)C1 83144664 573422765 /nfs/dbraw/zinc/42/27/65/573422765.db2.gz BERMKDJKJVXDOA-PRJMDXOYSA-N 0 3 170.256 0.625 20 0 ACADHN Nc1nc2c([nH]1)COCC2 83141689 573422234 /nfs/dbraw/zinc/42/22/34/573422234.db2.gz RURXZFAARVJQJG-UHFFFAOYSA-N 0 3 139.158 0.065 20 0 ACADHN C[C@H]1CC([C@H](N)C(N)=O)C[C@H](C)C1 83144891 573422286 /nfs/dbraw/zinc/42/22/86/573422286.db2.gz IIQASSVVILIRMP-BHNWBGBOSA-N 0 3 184.283 0.871 20 0 ACADHN CO[C@@H]1CCC[C@@H]([C@H](N)C(N)=O)C1 83144481 573423035 /nfs/dbraw/zinc/42/30/35/573423035.db2.gz VOILNQALAIKTHT-PRJMDXOYSA-N 0 3 186.255 0.004 20 0 ACADHN CC(C)=CC[C@H](N)C(N)=O 83144829 573425542 /nfs/dbraw/zinc/42/55/42/573425542.db2.gz KNJMIVHAIOTUGI-LURJTMIESA-N 0 3 142.202 0.155 20 0 ACADHN CC1CCC([C@H](N)C(N)=O)CC1 83144671 573425739 /nfs/dbraw/zinc/42/57/39/573425739.db2.gz DXVWEUYYADFORE-RRQHEKLDSA-N 0 3 170.256 0.625 20 0 ACADHN Cc1cc(CN[C@H](C)CCO)ncn1 308585776 573443936 /nfs/dbraw/zinc/44/39/36/573443936.db2.gz RUGPQAOPPPTEBB-MRVPVSSYSA-N 0 3 195.266 0.646 20 0 ACADHN Cn1cnc(CNC[C@@H]2CCOC2)c1 308586350 573444177 /nfs/dbraw/zinc/44/41/77/573444177.db2.gz SBOOVGQNRKJLBG-VIFPVBQESA-N 0 3 195.266 0.546 20 0 ACADHN Cc1cc(CN[C@@H](C)CCO)ncn1 308585777 573444727 /nfs/dbraw/zinc/44/47/27/573444727.db2.gz RUGPQAOPPPTEBB-QMMMGPOBSA-N 0 3 195.266 0.646 20 0 ACADHN CCN(CC(=O)NC1CC1)C(C)C 308390130 573444692 /nfs/dbraw/zinc/44/46/92/573444692.db2.gz ZDITYJQFPLQSIR-UHFFFAOYSA-N 0 3 184.283 0.995 20 0 ACADHN Cn1cnc(CNC(C)(C)CCO)c1 308587708 573449726 /nfs/dbraw/zinc/44/97/26/573449726.db2.gz SYAFXKGVDBKGHK-UHFFFAOYSA-N 0 3 197.282 0.671 20 0 ACADHN CC(C)(N)C(=O)N1CC[C@@H](F)C1 107260929 573451038 /nfs/dbraw/zinc/45/10/38/573451038.db2.gz NQDJBJGRPVPKKU-ZCFIWIBFSA-N 0 3 174.219 0.294 20 0 ACADHN CCOCCCNCc1cn(C)cn1 308590162 573454999 /nfs/dbraw/zinc/45/49/99/573454999.db2.gz UVCPJHAJODLKND-UHFFFAOYSA-N 0 3 197.282 0.936 20 0 ACADHN C[C@@H]1NCC(C)(C)CO1 258364264 573455718 /nfs/dbraw/zinc/45/57/18/573455718.db2.gz GLPVIDPKKQHLTF-ZCFIWIBFSA-N 0 3 129.203 0.978 20 0 ACADHN C[C@H]1NCC(C)(C)CO1 258364260 573455875 /nfs/dbraw/zinc/45/58/75/573455875.db2.gz GLPVIDPKKQHLTF-LURJTMIESA-N 0 3 129.203 0.978 20 0 ACADHN C[C@@H](CO)NCc1ccc(F)nc1 308391122 573471191 /nfs/dbraw/zinc/47/11/91/573471191.db2.gz YIIRUOUYZAIJNC-ZETCQYMHSA-N 0 3 184.214 0.691 20 0 ACADHN Cc1cc([C@H](C)NC[C@@H](C)O)n(C)n1 308595213 573480265 /nfs/dbraw/zinc/48/02/65/573480265.db2.gz MDSAINIWWCCWBY-BDAKNGLRSA-N 0 3 197.282 0.760 20 0 ACADHN Cc1cc([C@@H](C)NC[C@@H](C)O)n(C)n1 308595216 573482852 /nfs/dbraw/zinc/48/28/52/573482852.db2.gz MDSAINIWWCCWBY-RKDXNWHRSA-N 0 3 197.282 0.760 20 0 ACADHN Cc1cc([C@H](C)NC[C@H](C)O)n(C)n1 308595215 573483266 /nfs/dbraw/zinc/48/32/66/573483266.db2.gz MDSAINIWWCCWBY-IUCAKERBSA-N 0 3 197.282 0.760 20 0 ACADHN C[C@@H](O)CNC[C@H](O)c1cccnc1 308597150 573484785 /nfs/dbraw/zinc/48/47/85/573484785.db2.gz ZKECPGFYCDGUGN-SCZZXKLOSA-N 0 3 196.250 0.085 20 0 ACADHN CO[C@H](CN)c1cnn(C)c1C 86553357 573487243 /nfs/dbraw/zinc/48/72/43/573487243.db2.gz UBSJWVYPIRSIJJ-MRVPVSSYSA-N 0 3 169.228 0.375 20 0 ACADHN CC[C@H](CCO)NCc1cn(C)cn1 308593396 573487515 /nfs/dbraw/zinc/48/75/15/573487515.db2.gz WXSWHLBBVXBQPF-SECBINFHSA-N 0 3 197.282 0.671 20 0 ACADHN CO[C@@H](CN)c1cnn(C)c1C 86553358 573488957 /nfs/dbraw/zinc/48/89/57/573488957.db2.gz UBSJWVYPIRSIJJ-QMMMGPOBSA-N 0 3 169.228 0.375 20 0 ACADHN C[C@@H](N)c1cccc2nncn12 107315612 573502006 /nfs/dbraw/zinc/50/20/06/573502006.db2.gz VHLFLVAFEZHJHF-ZCFIWIBFSA-N 0 3 162.196 0.749 20 0 ACADHN C[C@H](N)c1cccc2nncn12 107315608 573504082 /nfs/dbraw/zinc/50/40/82/573504082.db2.gz VHLFLVAFEZHJHF-LURJTMIESA-N 0 3 162.196 0.749 20 0 ACADHN CC(C)[C@@](C)(O)CNCc1c[nH]cn1 308610237 573509955 /nfs/dbraw/zinc/50/99/55/573509955.db2.gz LKNGUZAADJVLMX-JTQLQIEISA-N 0 3 197.282 0.906 20 0 ACADHN CC(C)[C@@](C)(O)CNCc1cnc[nH]1 308610237 573509964 /nfs/dbraw/zinc/50/99/64/573509964.db2.gz LKNGUZAADJVLMX-JTQLQIEISA-N 0 3 197.282 0.906 20 0 ACADHN CC(C)[C@](C)(O)CNCc1c[nH]cn1 308610241 573511622 /nfs/dbraw/zinc/51/16/22/573511622.db2.gz LKNGUZAADJVLMX-SNVBAGLBSA-N 0 3 197.282 0.906 20 0 ACADHN CC(C)[C@](C)(O)CNCc1cnc[nH]1 308610241 573511630 /nfs/dbraw/zinc/51/16/30/573511630.db2.gz LKNGUZAADJVLMX-SNVBAGLBSA-N 0 3 197.282 0.906 20 0 ACADHN CNCc1ccc2cncnn12 107327656 573521367 /nfs/dbraw/zinc/52/13/67/573521367.db2.gz NHDAHKNLJYLKKB-UHFFFAOYSA-N 0 3 162.196 0.449 20 0 ACADHN O=C1Nc2ccccc2C12CNC2 224283668 573543969 /nfs/dbraw/zinc/54/39/69/573543969.db2.gz NZHWYOLXENRFJZ-UHFFFAOYSA-N 0 3 174.203 0.480 20 0 ACADHN CO[C@@H](C)CCNCc1cn(C)cn1 308630712 573550479 /nfs/dbraw/zinc/55/04/79/573550479.db2.gz YTIQIZQWJDQVRZ-VIFPVBQESA-N 0 3 197.282 0.935 20 0 ACADHN CCc1cc(CN[C@H](C)CCO)n[nH]1 308628341 573551118 /nfs/dbraw/zinc/55/11/18/573551118.db2.gz XUSSFYUSFZNDRF-MRVPVSSYSA-N 0 3 197.282 0.833 20 0 ACADHN CCc1cc(CN[C@H](C)CCO)[nH]n1 308628341 573551120 /nfs/dbraw/zinc/55/11/20/573551120.db2.gz XUSSFYUSFZNDRF-MRVPVSSYSA-N 0 3 197.282 0.833 20 0 ACADHN CCc1cc(CN[C@@H](C)CCO)n[nH]1 308628343 573552197 /nfs/dbraw/zinc/55/21/97/573552197.db2.gz XUSSFYUSFZNDRF-QMMMGPOBSA-N 0 3 197.282 0.833 20 0 ACADHN CCc1cc(CN[C@@H](C)CCO)[nH]n1 308628343 573552208 /nfs/dbraw/zinc/55/22/08/573552208.db2.gz XUSSFYUSFZNDRF-QMMMGPOBSA-N 0 3 197.282 0.833 20 0 ACADHN CO[C@H](C)CCNCc1cn(C)cn1 308630711 573552860 /nfs/dbraw/zinc/55/28/60/573552860.db2.gz YTIQIZQWJDQVRZ-SECBINFHSA-N 0 3 197.282 0.935 20 0 ACADHN C[C@H](CCCO)NCc1cnnn1C 130360839 573554493 /nfs/dbraw/zinc/55/44/93/573554493.db2.gz SGSQLIHNPLDNPB-MRVPVSSYSA-N 0 3 198.270 0.066 20 0 ACADHN C[C@@H](CCCO)NCc1cnnn1C 130360653 573555625 /nfs/dbraw/zinc/55/56/25/573555625.db2.gz SGSQLIHNPLDNPB-QMMMGPOBSA-N 0 3 198.270 0.066 20 0 ACADHN CCCC1CCN(C(=O)CN)CC1 50906121 573558136 /nfs/dbraw/zinc/55/81/36/573558136.db2.gz ZOYNHEPWZAXWPL-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN N[C@@]1(CO)COc2ccccc21 107401860 573572531 /nfs/dbraw/zinc/57/25/31/573572531.db2.gz JXNIEJYIDVSMKZ-VIFPVBQESA-N 0 3 165.192 0.225 20 0 ACADHN Cc1cc(N)nc(NCC(C)(C)O)n1 238456420 573593733 /nfs/dbraw/zinc/59/37/33/573593733.db2.gz QGFLFPFSNRZTRD-UHFFFAOYSA-N 0 3 196.254 0.550 20 0 ACADHN C[C@H](O)[C@H](C)N1CC[C@@H](F)C1 689908153 573595615 /nfs/dbraw/zinc/59/56/15/573595615.db2.gz IHMQCIBWESOTKR-BIIVOSGPSA-N 0 3 161.220 0.800 20 0 ACADHN C[C@H](O)[C@@H](C)N1CC[C@H](F)C1 689908158 573596822 /nfs/dbraw/zinc/59/68/22/573596822.db2.gz IHMQCIBWESOTKR-CSMHCCOUSA-N 0 3 161.220 0.800 20 0 ACADHN C[C@H](O)[C@H](C)N1CC[C@H](F)C1 689908164 573596624 /nfs/dbraw/zinc/59/66/24/573596624.db2.gz IHMQCIBWESOTKR-FXQIFTODSA-N 0 3 161.220 0.800 20 0 ACADHN CC(C)(O)[C@@H](N)c1cccnc1 75547465 573607720 /nfs/dbraw/zinc/60/77/20/573607720.db2.gz SREXUISZDQPXDG-QMMMGPOBSA-N 0 3 166.224 0.852 20 0 ACADHN CC(C)C[C@@H]1C[C@H]1NC(=O)[C@@H](C)N 385137261 573623452 /nfs/dbraw/zinc/62/34/52/573623452.db2.gz BADXTDYIZPKLQK-IWSPIJDZSA-N 0 3 184.283 0.884 20 0 ACADHN CCNC(=O)[C@@](C)(N)CC 86800814 573624829 /nfs/dbraw/zinc/62/48/29/573624829.db2.gz NUFSWNQZNOIQNN-ZETCQYMHSA-N 0 3 144.218 0.250 20 0 ACADHN CC[C@@](C)(N)C(=O)Nc1ccn(C)n1 86803202 573626197 /nfs/dbraw/zinc/62/61/97/573626197.db2.gz JNLDXBDQRFYQJN-SECBINFHSA-N 0 3 196.254 0.486 20 0 ACADHN Cc1n[nH]cc1CN[C@@H]1COC[C@H]1C 687963865 573630644 /nfs/dbraw/zinc/63/06/44/573630644.db2.gz IHWRVMQXHLZAEQ-GMSGAONNSA-N 0 3 195.266 0.843 20 0 ACADHN Cc1n[nH]cc1CN[C@H]1COC[C@H]1C 687963877 573630723 /nfs/dbraw/zinc/63/07/23/573630723.db2.gz IHWRVMQXHLZAEQ-XCBNKYQSSA-N 0 3 195.266 0.843 20 0 ACADHN CN[C@@H](C)C(=O)N(C)CCCF 716752609 573643726 /nfs/dbraw/zinc/64/37/26/573643726.db2.gz HULWZUZMNVMJBB-ZETCQYMHSA-N 0 3 176.235 0.412 20 0 ACADHN Cc1sc(N)nc1CN 238472443 573660210 /nfs/dbraw/zinc/66/02/10/573660210.db2.gz ZQEXOGPBKKBORU-UHFFFAOYSA-N 0 3 143.215 0.492 20 0 ACADHN NC1(C(=O)NCc2nccs2)CC1 83835428 573670977 /nfs/dbraw/zinc/67/09/77/573670977.db2.gz MMSMGVPHZHYCPZ-UHFFFAOYSA-N 0 3 197.263 0.251 20 0 ACADHN NC1(C(=O)Nc2nccs2)CC1 83833702 573669592 /nfs/dbraw/zinc/66/95/92/573669592.db2.gz BGVMEWMGTIRODR-UHFFFAOYSA-N 0 3 183.236 0.573 20 0 ACADHN C[C@@H](NC1(C(N)=O)CC1)[C@H]1CCOC1 308667310 573669826 /nfs/dbraw/zinc/66/98/26/573669826.db2.gz TUQIGGYHVUPKTG-SFYZADRCSA-N 0 3 198.266 0.019 20 0 ACADHN C[C@H](NC1(C(N)=O)CC1)[C@@H]1CCOC1 308667309 573670411 /nfs/dbraw/zinc/67/04/11/573670411.db2.gz TUQIGGYHVUPKTG-JGVFFNPUSA-N 0 3 198.266 0.019 20 0 ACADHN OC/C=C\CNC[C@@H]1CCC=CO1 717525625 573673692 /nfs/dbraw/zinc/67/36/92/573673692.db2.gz PALMFZRSITUKJG-ZMWSMAPVSA-N 0 3 183.251 0.817 20 0 ACADHN CC=C1CNC1 86881815 573671963 /nfs/dbraw/zinc/67/19/63/573671963.db2.gz PUHYNUFSIJMUOD-UHFFFAOYSA-N 0 3 83.134 0.536 20 0 ACADHN CC(C)=C1CNC1 86881812 573672262 /nfs/dbraw/zinc/67/22/62/573672262.db2.gz JQMAYOPTQXFISB-UHFFFAOYSA-N 0 3 97.161 0.926 20 0 ACADHN NC1(C(=O)NC[C@@H]2CCCOC2)CC1 83835075 573672691 /nfs/dbraw/zinc/67/26/91/573672691.db2.gz OHTPLDNEMQAUNG-QMMMGPOBSA-N 0 3 198.266 0.021 20 0 ACADHN Cc1cc(CNC(=O)C2(N)CC2)no1 83835669 573672797 /nfs/dbraw/zinc/67/27/97/573672797.db2.gz CBGPNOJARHCCNF-UHFFFAOYSA-N 0 3 195.222 0.091 20 0 ACADHN CCC=C1CNC1 86881817 573672948 /nfs/dbraw/zinc/67/29/48/573672948.db2.gz LUTXKHZVFHPVLM-UHFFFAOYSA-N 0 3 97.161 0.926 20 0 ACADHN OC/C=C/CNC[C@H]1CCC=CO1 717525624 573673081 /nfs/dbraw/zinc/67/30/81/573673081.db2.gz PALMFZRSITUKJG-VMZHVLLKSA-N 0 3 183.251 0.817 20 0 ACADHN COC1CCN(C(=O)C2(N)CC2)CC1 83834146 573673237 /nfs/dbraw/zinc/67/32/37/573673237.db2.gz DNUISBYJHFGRTB-UHFFFAOYSA-N 0 3 198.266 0.115 20 0 ACADHN NC1(C(=O)NC[C@H]2CCCOC2)CC1 83835073 573674205 /nfs/dbraw/zinc/67/42/05/573674205.db2.gz OHTPLDNEMQAUNG-MRVPVSSYSA-N 0 3 198.266 0.021 20 0 ACADHN OC/C=C/CNC[C@@H]1CCC=CO1 717525623 573674472 /nfs/dbraw/zinc/67/44/72/573674472.db2.gz PALMFZRSITUKJG-PBKGFPTLSA-N 0 3 183.251 0.817 20 0 ACADHN C(=C1CNC1)C1CCOCC1 86881917 573677144 /nfs/dbraw/zinc/67/71/44/573677144.db2.gz HXVSKYNGLOVZOI-UHFFFAOYSA-N 0 3 153.225 0.943 20 0 ACADHN C(=C1CNC1)[C@H]1CCCO1 86881895 573678482 /nfs/dbraw/zinc/67/84/82/573678482.db2.gz ZEALZCXLOKLCOJ-MRVPVSSYSA-N 0 3 139.198 0.695 20 0 ACADHN CCNCC(=O)Nc1ccc(F)cn1 83853166 573685115 /nfs/dbraw/zinc/68/51/15/573685115.db2.gz ROGUQZARTAJQNG-UHFFFAOYSA-N 0 3 197.213 0.769 20 0 ACADHN C[C@H](N)C(=O)N(C)CCC(F)(F)F 83879653 573689980 /nfs/dbraw/zinc/68/99/80/573689980.db2.gz LITQPMPGBYFFPT-YFKPBYRVSA-N 0 3 198.188 0.744 20 0 ACADHN COC1(CNCCF)CCOCC1 308419144 573694139 /nfs/dbraw/zinc/69/41/39/573694139.db2.gz OEJOMAMJXPVOHS-UHFFFAOYSA-N 0 3 191.246 0.741 20 0 ACADHN CNCC(=O)N1CCC2(CCCC2)C1 83928511 573702080 /nfs/dbraw/zinc/70/20/80/573702080.db2.gz YHSFWNWVIVFTRK-UHFFFAOYSA-N 0 3 196.294 0.999 20 0 ACADHN COC(=O)NC(C)(C)CN(C)C 308691194 573705217 /nfs/dbraw/zinc/70/52/17/573705217.db2.gz BRQKQSRXGOPKEB-UHFFFAOYSA-N 0 3 174.244 0.683 20 0 ACADHN CCN(CC(=O)[O-])CC(C)(C)[NH3+] 1596224863 983615446 /nfs/dbraw/zinc/61/54/46/983615446.db2.gz GAPAUTCDWNHVPB-UHFFFAOYSA-N 0 3 174.244 0.130 20 0 ACADHN C[C@@H]1C[C@@H]1CNCCS(C)(=O)=O 130953088 573718138 /nfs/dbraw/zinc/71/81/38/573718138.db2.gz MMGHXXCDTYWODX-HTQZYQBOSA-N 0 3 191.296 0.277 20 0 ACADHN CCN1CCC2(CC1)COC(=O)N2 83965912 573720347 /nfs/dbraw/zinc/72/03/47/573720347.db2.gz MYLXUKCOEUTALN-UHFFFAOYSA-N 0 3 184.239 0.581 20 0 ACADHN CCN1CCC2(CC1)CNC(=O)O2 83967377 573724533 /nfs/dbraw/zinc/72/45/33/573724533.db2.gz JAOZUGHUNZPTIX-UHFFFAOYSA-N 0 3 184.239 0.581 20 0 ACADHN CC1(C)COC[C@@H](CCO)N1 108284559 573726232 /nfs/dbraw/zinc/72/62/32/573726232.db2.gz PBJAIXJGAOHMEW-SSDOTTSWSA-N 0 3 159.229 0.136 20 0 ACADHN CN(C)CC(C)(C)NC(=O)NC1CC1 308694014 573737151 /nfs/dbraw/zinc/73/71/51/573737151.db2.gz HLTZIWFOYOWCAF-UHFFFAOYSA-N 0 3 199.298 0.788 20 0 ACADHN COC(CN(C)C[C@@H](C)OC)OC 393589538 573740871 /nfs/dbraw/zinc/74/08/71/573740871.db2.gz KAGSTNMTKDWOGZ-MRVPVSSYSA-N 0 3 191.271 0.572 20 0 ACADHN COC(CN(C)C[C@H](C)OC)OC 393589539 573741981 /nfs/dbraw/zinc/74/19/81/573741981.db2.gz KAGSTNMTKDWOGZ-QMMMGPOBSA-N 0 3 191.271 0.572 20 0 ACADHN CCOC(=O)[C@@H]1CNC[C@@H]1F 257868998 573762802 /nfs/dbraw/zinc/76/28/02/573762802.db2.gz SPBFPAZZYQHVJF-RITPCOANSA-N 0 3 161.176 0.107 20 0 ACADHN CCOC(=O)[C@@H]1CNC[C@H]1F 257868997 573764784 /nfs/dbraw/zinc/76/47/84/573764784.db2.gz SPBFPAZZYQHVJF-PHDIDXHHSA-N 0 3 161.176 0.107 20 0 ACADHN CCOC(=O)[C@H]1CNC[C@@H]1F 257868999 573765267 /nfs/dbraw/zinc/76/52/67/573765267.db2.gz SPBFPAZZYQHVJF-WDSKDSINSA-N 0 3 161.176 0.107 20 0 ACADHN c1nc(CN[C@H]2CCOC2)c[nH]1 84080865 573765402 /nfs/dbraw/zinc/76/54/02/573765402.db2.gz ZVNSOAILFXAWSU-ZETCQYMHSA-N 0 3 167.212 0.288 20 0 ACADHN c1ncc(CN[C@H]2CCOC2)[nH]1 84080865 573765404 /nfs/dbraw/zinc/76/54/04/573765404.db2.gz ZVNSOAILFXAWSU-ZETCQYMHSA-N 0 3 167.212 0.288 20 0 ACADHN CCOC(=O)[C@H]1CNC[C@H]1F 257868995 573765413 /nfs/dbraw/zinc/76/54/13/573765413.db2.gz SPBFPAZZYQHVJF-NTSWFWBYSA-N 0 3 161.176 0.107 20 0 ACADHN Cc1cc(CNCC2(CO)CC2)n[nH]1 308741601 573782810 /nfs/dbraw/zinc/78/28/10/573782810.db2.gz PBVBPLXELXGELG-UHFFFAOYSA-N 0 3 195.266 0.580 20 0 ACADHN Cc1cc(CNCC2(CO)CC2)[nH]n1 308741601 573782814 /nfs/dbraw/zinc/78/28/14/573782814.db2.gz PBVBPLXELXGELG-UHFFFAOYSA-N 0 3 195.266 0.580 20 0 ACADHN Cc1cc([C@@H](C)N[C@@H](C)CO)n(C)n1 308739528 573785842 /nfs/dbraw/zinc/78/58/42/573785842.db2.gz NPUIXHYFIJVPLI-DTWKUNHWSA-N 0 3 197.282 0.760 20 0 ACADHN C[C@H](O)[C@H](C)N1CCSCC1 87137365 573791580 /nfs/dbraw/zinc/79/15/80/573791580.db2.gz LODCEDNNQRUEFS-YUMQZZPRSA-N 0 3 175.297 0.805 20 0 ACADHN C[C@@H]([C@@H](C)O)N1CCSCC1 87137361 573791699 /nfs/dbraw/zinc/79/16/99/573791699.db2.gz LODCEDNNQRUEFS-JGVFFNPUSA-N 0 3 175.297 0.805 20 0 ACADHN Cc1cc(CNCCC(C)(C)O)[nH]n1 308725849 573793348 /nfs/dbraw/zinc/79/33/48/573793348.db2.gz GMBSOTBVFFOKFW-UHFFFAOYSA-N 0 3 197.282 0.969 20 0 ACADHN C[C@H](O)[C@@H](C)N1CCSCC1 87137366 573793083 /nfs/dbraw/zinc/79/30/83/573793083.db2.gz LODCEDNNQRUEFS-SFYZADRCSA-N 0 3 175.297 0.805 20 0 ACADHN Cc1cc(CNCCC(C)(C)O)n[nH]1 308725849 573793353 /nfs/dbraw/zinc/79/33/53/573793353.db2.gz GMBSOTBVFFOKFW-UHFFFAOYSA-N 0 3 197.282 0.969 20 0 ACADHN CCNCC(=O)N(CC)C1CCC1 308743775 573813173 /nfs/dbraw/zinc/81/31/73/573813173.db2.gz QDRSRMWQHODUEE-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN NC[C@H](F)C1CC1 84305791 573821632 /nfs/dbraw/zinc/82/16/32/573821632.db2.gz MHWZPBFQOUQYNL-YFKPBYRVSA-N 0 3 103.140 0.693 20 0 ACADHN C[C@@H]1C[C@@H]1CNC(=O)[C@@H](N)CC1CC1 308445956 573824308 /nfs/dbraw/zinc/82/43/08/573824308.db2.gz AKXSGYYAYWTBGO-QNSHHTMESA-N 0 3 196.294 0.886 20 0 ACADHN CCC[C@@H](O)CNCc1cc(C)[nH]n1 308751059 573824190 /nfs/dbraw/zinc/82/41/90/573824190.db2.gz UMZRGYGDAMIPFA-SNVBAGLBSA-N 0 3 197.282 0.969 20 0 ACADHN CCC[C@@H](O)CNCc1cc(C)n[nH]1 308751059 573824197 /nfs/dbraw/zinc/82/41/97/573824197.db2.gz UMZRGYGDAMIPFA-SNVBAGLBSA-N 0 3 197.282 0.969 20 0 ACADHN C[C@@H]1C[C@H]1CNC(=O)[C@@H](N)CC1CC1 308445955 573824051 /nfs/dbraw/zinc/82/40/51/573824051.db2.gz AKXSGYYAYWTBGO-JEZHCXPESA-N 0 3 196.294 0.886 20 0 ACADHN CO[N-]C(=O)[C@@H]1CCCCC[C@@H]1[NH3+] 87222371 573834211 /nfs/dbraw/zinc/83/42/11/573834211.db2.gz PEBKKBJUOGWNRA-SFYZADRCSA-N 0 3 186.255 0.572 20 0 ACADHN Cc1cc(CNC[C@H]2CCOC2)[nH]n1 308761699 573843614 /nfs/dbraw/zinc/84/36/14/573843614.db2.gz YECTZOIDFPXWKQ-SECBINFHSA-N 0 3 195.266 0.844 20 0 ACADHN COC(=O)NCCN1CC[C@H](C)C1 308452408 573845382 /nfs/dbraw/zinc/84/53/82/573845382.db2.gz DXRYPIJKLIUBQF-QMMMGPOBSA-N 0 3 186.255 0.684 20 0 ACADHN COC(=O)NCCN1CC[C@@H](C)C1 308452407 573845479 /nfs/dbraw/zinc/84/54/79/573845479.db2.gz DXRYPIJKLIUBQF-MRVPVSSYSA-N 0 3 186.255 0.684 20 0 ACADHN C[C@@H](CNCc1cnn(C)n1)C1CC1 308454144 573851738 /nfs/dbraw/zinc/85/17/38/573851738.db2.gz AXFHWELAZYHTRV-QMMMGPOBSA-N 0 3 194.282 0.951 20 0 ACADHN CC(C)C1(O)CN(C[C@H]2CCOC2)C1 84376699 573863408 /nfs/dbraw/zinc/86/34/08/573863408.db2.gz MZUGGFIKOIHKBP-SNVBAGLBSA-N 0 3 199.294 0.726 20 0 ACADHN c1nc2c([nH]1)[C@@]1(CCCOC1)NCC2 257890868 573862400 /nfs/dbraw/zinc/86/24/00/573862400.db2.gz XCMCZVOOMJUNGS-JTQLQIEISA-N 0 3 193.250 0.561 20 0 ACADHN OCC1(CNCc2cc[nH]c2)COC1 258981628 573878990 /nfs/dbraw/zinc/87/89/90/573878990.db2.gz MFLJEVUQEVSJLO-UHFFFAOYSA-N 0 3 196.250 0.113 20 0 ACADHN C=CC(=O)N1CCC[C@@H](N(C)C)C1 84419743 573882112 /nfs/dbraw/zinc/88/21/12/573882112.db2.gz JCXOKBUYQHZSEY-SECBINFHSA-N 0 3 182.267 0.725 20 0 ACADHN COC(=O)NC[C@@H]1CCCN(C)C1 122982424 573883057 /nfs/dbraw/zinc/88/30/57/573883057.db2.gz FQMAVIXDMNLGCG-QMMMGPOBSA-N 0 3 186.255 0.684 20 0 ACADHN C=CC(=O)N1CCC[C@H](N(C)C)C1 84419746 573884991 /nfs/dbraw/zinc/88/49/91/573884991.db2.gz JCXOKBUYQHZSEY-VIFPVBQESA-N 0 3 182.267 0.725 20 0 ACADHN CCNCC(=O)NC(C)(C)CC 44291237 573897023 /nfs/dbraw/zinc/89/70/23/573897023.db2.gz QOMGVSWOAPRMGV-UHFFFAOYSA-N 0 3 172.272 0.901 20 0 ACADHN CC[C@@H](O)CCNCc1c[nH]cn1 131716398 573909498 /nfs/dbraw/zinc/90/94/98/573909498.db2.gz AAUJQFXWSSMXNA-SECBINFHSA-N 0 3 183.255 0.660 20 0 ACADHN CC[C@@H](O)CCNCc1cnc[nH]1 131716398 573909503 /nfs/dbraw/zinc/90/95/03/573909503.db2.gz AAUJQFXWSSMXNA-SECBINFHSA-N 0 3 183.255 0.660 20 0 ACADHN CCNCC(=O)N(C)[C@@H](C)C1CC1 44647304 573919965 /nfs/dbraw/zinc/91/99/65/573919965.db2.gz AOIQEYJQSVSHRV-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN CCCN(C(=O)CNCC)C1CC1 44646962 573921308 /nfs/dbraw/zinc/92/13/08/573921308.db2.gz NAWSDRMJXIULJK-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CCNCC(=O)N(C)C1CCCC1 44646948 573921947 /nfs/dbraw/zinc/92/19/47/573921947.db2.gz CFEKKRGDPIHBRU-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CCNCC(=O)NCc1ccncc1 44646873 573922944 /nfs/dbraw/zinc/92/29/44/573922944.db2.gz XQRVDAPAXODFAB-UHFFFAOYSA-N 0 3 193.250 0.307 20 0 ACADHN CCNCC(=O)N(CC)C(C)C 44646943 573924381 /nfs/dbraw/zinc/92/43/81/573924381.db2.gz AKZOLKCJACRIIL-UHFFFAOYSA-N 0 3 172.272 0.853 20 0 ACADHN CCNCC(=O)N(C)CC(C)C 44646971 573924501 /nfs/dbraw/zinc/92/45/01/573924501.db2.gz QLVKCFQWGNNMDQ-UHFFFAOYSA-N 0 3 172.272 0.710 20 0 ACADHN CCNCC(=O)NCc1cccnc1 44646868 573924642 /nfs/dbraw/zinc/92/46/42/573924642.db2.gz TWGMPFLAWUWLFW-UHFFFAOYSA-N 0 3 193.250 0.307 20 0 ACADHN CON(C)C(=O)[C@H]1CCCCCN1 80998884 573925313 /nfs/dbraw/zinc/92/53/13/573925313.db2.gz PZPUUGHHCGHTJB-MRVPVSSYSA-N 0 3 186.255 0.538 20 0 ACADHN NC[C@@H](F)Cc1cccnc1 103303414 573926129 /nfs/dbraw/zinc/92/61/29/573926129.db2.gz RADNBHADOSHCAE-QMMMGPOBSA-N 0 3 154.188 0.921 20 0 ACADHN NC[C@H](F)Cc1cccnc1 103303417 573927479 /nfs/dbraw/zinc/92/74/79/573927479.db2.gz RADNBHADOSHCAE-MRVPVSSYSA-N 0 3 154.188 0.921 20 0 ACADHN CCNCC(=O)NCc1cc(C)on1 44727098 573928382 /nfs/dbraw/zinc/92/83/82/573928382.db2.gz RVTUKGYMOWYLKB-UHFFFAOYSA-N 0 3 197.238 0.209 20 0 ACADHN CCNCC(=O)NCc1cc(C)no1 45007246 573935526 /nfs/dbraw/zinc/93/55/26/573935526.db2.gz JITYISPGSJKVBC-UHFFFAOYSA-N 0 3 197.238 0.209 20 0 ACADHN CC[C@@H](CO)NCc1cnoc1C 585365125 573944164 /nfs/dbraw/zinc/94/41/64/573944164.db2.gz HHHKTFQANMCERE-VIFPVBQESA-N 0 3 184.239 0.844 20 0 ACADHN C/C=C/C(=O)N[C@@H]1CN2CCC1CC2 87555467 573948905 /nfs/dbraw/zinc/94/89/05/573948905.db2.gz RPGRBXKSTNVRRC-VMZHVLLKSA-N 0 3 194.278 0.773 20 0 ACADHN CN1CCCC[C@H]1CNC(=O)C1CC1 81561719 573949291 /nfs/dbraw/zinc/94/92/91/573949291.db2.gz WWSPYQUTZOSOQX-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN CCC(=O)NC[C@@H]1CCCCN1C 81559622 573950166 /nfs/dbraw/zinc/95/01/66/573950166.db2.gz LSGGXCTZIKHDTC-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CC(=O)NC[C@@H]1CCCCN1C 81559154 573950701 /nfs/dbraw/zinc/95/07/01/573950701.db2.gz JZSLPUMSSCMFKL-VIFPVBQESA-N 0 3 170.256 0.607 20 0 ACADHN CN1CCCC[C@@H]1CNC(=O)C1CC1 81561712 573950795 /nfs/dbraw/zinc/95/07/95/573950795.db2.gz WWSPYQUTZOSOQX-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CC(=O)NC[C@H]1CCCCN1C 81559170 573953177 /nfs/dbraw/zinc/95/31/77/573953177.db2.gz JZSLPUMSSCMFKL-SECBINFHSA-N 0 3 170.256 0.607 20 0 ACADHN CN(C)CCN(C)C(=O)C(F)(F)F 81575773 573952929 /nfs/dbraw/zinc/95/29/29/573952929.db2.gz IXPPIBODHZVSGJ-UHFFFAOYSA-N 0 3 198.188 0.569 20 0 ACADHN OC1CCN(Cc2cnc[nH]2)CC1 104401678 573977495 /nfs/dbraw/zinc/97/74/95/573977495.db2.gz AVBAPTHCEZDAQW-UHFFFAOYSA-N 0 3 181.239 0.366 20 0 ACADHN NC(=O)[C@H]1CCCN1CCCF 238560993 573979423 /nfs/dbraw/zinc/97/94/23/573979423.db2.gz OMCIXBWKRPICJL-SSDOTTSWSA-N 0 3 174.219 0.296 20 0 ACADHN N[C@H](CCO)c1ccncc1F 104459256 573988350 /nfs/dbraw/zinc/98/83/50/573988350.db2.gz IVNDWFRARHKBGY-MRVPVSSYSA-N 0 3 170.187 0.603 20 0 ACADHN C/C=C/C(=O)NC1CCN(C)CC1 82237782 573994344 /nfs/dbraw/zinc/99/43/44/573994344.db2.gz FLKUOWLRMHLRQP-ONEGZZNKSA-N 0 3 182.267 0.773 20 0 ACADHN CO[C@@H](CN)c1cncn1C 85182796 573999496 /nfs/dbraw/zinc/99/94/96/573999496.db2.gz FSQSWDHYPGGKOA-ZETCQYMHSA-N 0 3 155.201 0.066 20 0 ACADHN CO[C@H](CN)c1cncn1C 85182794 573999756 /nfs/dbraw/zinc/99/97/56/573999756.db2.gz FSQSWDHYPGGKOA-SSDOTTSWSA-N 0 3 155.201 0.066 20 0 ACADHN C[C@H](O)[C@H]([NH3+])c1ccc(F)c([O-])c1 104486416 574006443 /nfs/dbraw/zinc/00/64/43/574006443.db2.gz FKBNNJMJRQQBOR-CDUCUWFYSA-N 0 3 185.198 0.912 20 0 ACADHN C[C@@H](O)[C@H]([NH3+])c1cc([O-])cc(F)c1 104499035 574012452 /nfs/dbraw/zinc/01/24/52/574012452.db2.gz WTIWATGLMYUBBD-ANLVUFKYSA-N 0 3 185.198 0.912 20 0 ACADHN C[C@@H](O)[C@@H]([NH3+])c1cc([O-])cc(F)c1 104499039 574013868 /nfs/dbraw/zinc/01/38/68/574013868.db2.gz WTIWATGLMYUBBD-MLUIRONXSA-N 0 3 185.198 0.912 20 0 ACADHN C[C@@H](O)[C@@H]([NH3+])c1ccc(F)c([O-])c1 104499022 574014261 /nfs/dbraw/zinc/01/42/61/574014261.db2.gz FKBNNJMJRQQBOR-MLUIRONXSA-N 0 3 185.198 0.912 20 0 ACADHN C[C@H](O)[C@@H](N)c1cc(O)ccc1F 104503214 574015797 /nfs/dbraw/zinc/01/57/97/574015797.db2.gz KSGRMAZGPPJXMG-SSDLBLMSSA-N 0 3 185.198 0.912 20 0 ACADHN OC[C@H]1CCCCN1CCF 87689882 574017659 /nfs/dbraw/zinc/01/76/59/574017659.db2.gz KIOLDSRPJHERMR-MRVPVSSYSA-N 0 3 161.220 0.803 20 0 ACADHN C[C@@H](O)[C@H](N)c1cc(O)ccc1F 104502180 574017574 /nfs/dbraw/zinc/01/75/74/574017574.db2.gz KSGRMAZGPPJXMG-ANLVUFKYSA-N 0 3 185.198 0.912 20 0 ACADHN CN(CCF)CC(C)(C)O 87689934 574019200 /nfs/dbraw/zinc/01/92/00/574019200.db2.gz MBCVWBWRDCKSIX-UHFFFAOYSA-N 0 3 149.209 0.659 20 0 ACADHN N[C@H](CO)c1cc(F)cnc1Cl 104504561 574019445 /nfs/dbraw/zinc/01/94/45/574019445.db2.gz GXEXGAJXVTUBBF-ZCFIWIBFSA-N 0 3 190.605 0.866 20 0 ACADHN C[C@@H](N)c1cccc(N)n1 104511433 574023433 /nfs/dbraw/zinc/02/34/33/574023433.db2.gz QLXUFEACGXTPSC-RXMQYKEDSA-N 0 3 137.186 0.684 20 0 ACADHN C[C@@H](N)c1cccc(CO)n1 104517082 574024722 /nfs/dbraw/zinc/02/47/22/574024722.db2.gz HPJQMQIVOUELDI-ZCFIWIBFSA-N 0 3 152.197 0.594 20 0 ACADHN C=CC(=O)N[C@H](CN(C)C)C(C)C 49202999 574026508 /nfs/dbraw/zinc/02/65/08/574026508.db2.gz CJROWZIYYOMQMV-SECBINFHSA-N 0 3 184.283 0.875 20 0 ACADHN C=CC(=O)N[C@@H](CN(C)C)C(C)C 49203002 574026835 /nfs/dbraw/zinc/02/68/35/574026835.db2.gz CJROWZIYYOMQMV-VIFPVBQESA-N 0 3 184.283 0.875 20 0 ACADHN O=S1(=O)CCC(NCCF)CC1 87774783 574030799 /nfs/dbraw/zinc/03/07/99/574030799.db2.gz KWOPXQBAIZTPJA-UHFFFAOYSA-N 0 3 195.259 0.123 20 0 ACADHN CC[C@H](CO)NCCF 87774742 574030970 /nfs/dbraw/zinc/03/09/70/574030970.db2.gz STCYRXUJABBSHZ-ZCFIWIBFSA-N 0 3 135.182 0.316 20 0 ACADHN CC[C@@H](CO)NCCF 87774741 574031071 /nfs/dbraw/zinc/03/10/71/574031071.db2.gz STCYRXUJABBSHZ-LURJTMIESA-N 0 3 135.182 0.316 20 0 ACADHN FCCN[C@H]1CCOC1 87786063 574034985 /nfs/dbraw/zinc/03/49/85/574034985.db2.gz ZZTAJYKCAFQYEO-LURJTMIESA-N 0 3 133.166 0.334 20 0 ACADHN CN1CC[C@@H](NCc2ccn(C)n2)C1 112837574 574040896 /nfs/dbraw/zinc/04/08/96/574040896.db2.gz IHHSGODDZSVSQE-SNVBAGLBSA-N 0 3 194.282 0.214 20 0 ACADHN CCCCC(=O)NCCN(C)C 11638522 486710458 /nfs/dbraw/zinc/71/04/58/486710458.db2.gz KGMQPNCFMNBLQB-UHFFFAOYSA-N 0 3 172.272 0.854 20 0 ACADHN CN(CCc1ccncc1)C(=O)CN 11805412 486710170 /nfs/dbraw/zinc/71/01/70/486710170.db2.gz LJLKEBNIHAWZAS-UHFFFAOYSA-N 0 3 193.250 0.041 20 0 ACADHN CC[C@H](C)[C@H](N)C(=O)N(C)CC 13529489 486711257 /nfs/dbraw/zinc/71/12/57/486711257.db2.gz IUVAYAARSQMGGM-YUMQZZPRSA-N 0 3 172.272 0.838 20 0 ACADHN CC(C)C(C)(C)NC(=O)CN 17503704 486711903 /nfs/dbraw/zinc/71/19/03/486711903.db2.gz LCIRGVSHTMQUNW-UHFFFAOYSA-N 0 3 158.245 0.496 20 0 ACADHN CC(=O)NC(C)(C)CN(C)C 17412526 486712114 /nfs/dbraw/zinc/71/21/14/486712114.db2.gz HWSHUDPMSWVRTO-UHFFFAOYSA-N 0 3 158.245 0.463 20 0 ACADHN C[C@@H]1CCCC[C@H]1NC(=O)CN 19518651 486712902 /nfs/dbraw/zinc/71/29/02/486712902.db2.gz WUVBOXNXHOSMEK-HTQZYQBOSA-N 0 3 170.256 0.640 20 0 ACADHN C[C@@H]1CCCC[C@@H]1NC(=O)CN 19518649 486713435 /nfs/dbraw/zinc/71/34/35/486713435.db2.gz WUVBOXNXHOSMEK-SFYZADRCSA-N 0 3 170.256 0.640 20 0 ACADHN C[C@H]1CCCC[C@@H]1NC(=O)CN 19518650 486713535 /nfs/dbraw/zinc/71/35/35/486713535.db2.gz WUVBOXNXHOSMEK-YUMQZZPRSA-N 0 3 170.256 0.640 20 0 ACADHN CCCCNC(=O)N1CCCNCC1 20253460 486714579 /nfs/dbraw/zinc/71/45/79/486714579.db2.gz YPNLWJIOZPIOJJ-UHFFFAOYSA-N 0 3 199.298 0.791 20 0 ACADHN CCCCN(C)C(C)(C)C(N)=O 32023580 486715668 /nfs/dbraw/zinc/71/56/68/486715668.db2.gz NAXGHJILSKPROS-UHFFFAOYSA-N 0 3 172.272 0.982 20 0 ACADHN CC[C@H](C)N(CC)C(=O)CNC 37113264 486719089 /nfs/dbraw/zinc/71/90/89/486719089.db2.gz TWAYUOPYSFTEQI-QMMMGPOBSA-N 0 3 172.272 0.853 20 0 ACADHN CC[C@H](C)N(CC)C(=O)[C@H](C)N 37113268 486719232 /nfs/dbraw/zinc/71/92/32/486719232.db2.gz QZIZYOPKWZKXNA-YUMQZZPRSA-N 0 3 172.272 0.981 20 0 ACADHN CC[C@H](C)N(CC)C(=O)CN 37113286 486719281 /nfs/dbraw/zinc/71/92/81/486719281.db2.gz UTYFIKLCWPUXHY-ZETCQYMHSA-N 0 3 158.245 0.592 20 0 ACADHN CC[C@@H](C)N(CC)C(=O)[C@H](C)N 37113267 486719297 /nfs/dbraw/zinc/71/92/97/486719297.db2.gz QZIZYOPKWZKXNA-SFYZADRCSA-N 0 3 172.272 0.981 20 0 ACADHN CC[C@@H](C)N(CC)C(=O)[C@@H](C)N 37113265 486719411 /nfs/dbraw/zinc/71/94/11/486719411.db2.gz QZIZYOPKWZKXNA-HTQZYQBOSA-N 0 3 172.272 0.981 20 0 ACADHN CC[C@@H](C)N(CC)C(=O)CNC 37113263 486719449 /nfs/dbraw/zinc/71/94/49/486719449.db2.gz TWAYUOPYSFTEQI-MRVPVSSYSA-N 0 3 172.272 0.853 20 0 ACADHN CC[C@H](C)N(CC)C(=O)[C@@H](C)N 37113266 486719456 /nfs/dbraw/zinc/71/94/56/486719456.db2.gz QZIZYOPKWZKXNA-JGVFFNPUSA-N 0 3 172.272 0.981 20 0 ACADHN CC[C@@H](C)N(CC)C(=O)CN 37113285 486719469 /nfs/dbraw/zinc/71/94/69/486719469.db2.gz UTYFIKLCWPUXHY-SSDOTTSWSA-N 0 3 158.245 0.592 20 0 ACADHN CCCN(C)C(=O)CNC(C)C 37477116 486719884 /nfs/dbraw/zinc/71/98/84/486719884.db2.gz JUZSCXUEHNSECP-UHFFFAOYSA-N 0 3 172.272 0.853 20 0 ACADHN CCN(C(=O)CNC(C)C)C1CC1 37654672 486720316 /nfs/dbraw/zinc/72/03/16/486720316.db2.gz FPCDMVULPFSGJD-UHFFFAOYSA-N 0 3 184.283 0.995 20 0 ACADHN CCOCCNC(=O)CNC(C)C 37477196 486720425 /nfs/dbraw/zinc/72/04/25/486720425.db2.gz ZINZCDHDUDVVRI-UHFFFAOYSA-N 0 3 188.271 0.137 20 0 ACADHN CC(C)NCC(=O)NCC1CCC1 37477125 486720554 /nfs/dbraw/zinc/72/05/54/486720554.db2.gz RJHXJSRJUDGOCX-UHFFFAOYSA-N 0 3 184.283 0.901 20 0 ACADHN CC(C)NCC(=O)N(C)C1CC1 37477111 486720569 /nfs/dbraw/zinc/72/05/69/486720569.db2.gz MQTCFJMQYZOZNU-UHFFFAOYSA-N 0 3 170.256 0.605 20 0 ACADHN CC(C)NCC(=O)Nc1cn[nH]c1 37477155 486720575 /nfs/dbraw/zinc/72/05/75/486720575.db2.gz RDTWPAVCFQINKW-UHFFFAOYSA-N 0 3 182.227 0.346 20 0 ACADHN CC(C)NCC(=O)N(C)CC1CC1 37816380 486721849 /nfs/dbraw/zinc/72/18/49/486721849.db2.gz SQUYDXQXTNHSJI-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN COCCN(C)C(=O)CNC(C)C 38101321 486722247 /nfs/dbraw/zinc/72/22/47/486722247.db2.gz KEBUSRQKQSDCAC-UHFFFAOYSA-N 0 3 188.271 0.089 20 0 ACADHN CC1(CN2CCC[C@@H]2C(N)=O)CC1 39116495 486723123 /nfs/dbraw/zinc/72/31/23/486723123.db2.gz AQAPUQSRQQQZRM-MRVPVSSYSA-N 0 3 182.267 0.736 20 0 ACADHN CCCN(C)C(=O)C(C)(C)N 40920556 486723501 /nfs/dbraw/zinc/72/35/01/486723501.db2.gz YIJKNFGFJNRXFY-UHFFFAOYSA-N 0 3 158.245 0.592 20 0 ACADHN CC(C)CN(C)C(=O)C(C)(C)N 40920559 486723789 /nfs/dbraw/zinc/72/37/89/486723789.db2.gz PGLQRKKCWDNNFY-UHFFFAOYSA-N 0 3 172.272 0.838 20 0 ACADHN CC(C)NCC(=O)N1CC[C@@H](C)C1 40724749 486724083 /nfs/dbraw/zinc/72/40/83/486724083.db2.gz PSPISEWHGNRQBD-SECBINFHSA-N 0 3 184.283 0.853 20 0 ACADHN CC(C)NCC(=O)NCc1cc[nH]n1 41016442 486724103 /nfs/dbraw/zinc/72/41/03/486724103.db2.gz SCFAXUIBXGOCNM-UHFFFAOYSA-N 0 3 196.254 0.024 20 0 ACADHN CC(C)NCC(=O)N1CC[C@H](C)C1 40724751 486724335 /nfs/dbraw/zinc/72/43/35/486724335.db2.gz PSPISEWHGNRQBD-VIFPVBQESA-N 0 3 184.283 0.853 20 0 ACADHN CCCN(CC)C(=O)C(C)(C)N 40920547 486724352 /nfs/dbraw/zinc/72/43/52/486724352.db2.gz GANWQTAOPPYBEO-UHFFFAOYSA-N 0 3 172.272 0.982 20 0 ACADHN CC[C@H](O)CNCc1cnn(C)c1 41054843 486724452 /nfs/dbraw/zinc/72/44/52/486724452.db2.gz JRFZGLNWRNYOMV-VIFPVBQESA-N 0 3 183.255 0.281 20 0 ACADHN CC[C@@H](C)[C@H](N)C(=O)Nc1cc[nH]n1 42414753 486725415 /nfs/dbraw/zinc/72/54/15/486725415.db2.gz YFFUWKIIHMFPPO-SVRRBLITSA-N 0 3 196.254 0.722 20 0 ACADHN CC(C)(N)C(=O)Nc1cc[nH]n1 42414758 486725274 /nfs/dbraw/zinc/72/52/74/486725274.db2.gz ZZKFSKWLWBZQLA-UHFFFAOYSA-N 0 3 168.200 0.086 20 0 ACADHN OCCN(CCn1ccnc1)C1CC1 50103913 486736955 /nfs/dbraw/zinc/73/69/55/486736955.db2.gz SNIYTZVOTFYGNU-UHFFFAOYSA-N 0 3 195.266 0.340 20 0 ACADHN CC[C@@H](C)N(CC)CC(N)=O 43639149 486728296 /nfs/dbraw/zinc/72/82/96/486728296.db2.gz XRBGEJDPHJFXES-SSDOTTSWSA-N 0 3 158.245 0.592 20 0 ACADHN CC[C@H](C)N(CC)CC(N)=O 43639150 486728748 /nfs/dbraw/zinc/72/87/48/486728748.db2.gz XRBGEJDPHJFXES-ZETCQYMHSA-N 0 3 158.245 0.592 20 0 ACADHN CC(C)NCC(=O)Nc1ccnn1C 44593725 486729395 /nfs/dbraw/zinc/72/93/95/486729395.db2.gz ZZZCZTHCOHLAFW-UHFFFAOYSA-N 0 3 196.254 0.357 20 0 ACADHN CCN(C[C@@H]1C[C@@H]1C)[C@@H]1CCNC1=O 669621394 486729542 /nfs/dbraw/zinc/72/95/42/486729542.db2.gz RAEIDRFXTSCCSR-LPEHRKFASA-N 0 3 196.294 0.853 20 0 ACADHN CCN(C[C@@H]1C[C@H]1C)[C@H]1CCNC1=O 669621395 486729638 /nfs/dbraw/zinc/72/96/38/486729638.db2.gz RAEIDRFXTSCCSR-UTLUCORTSA-N 0 3 196.294 0.853 20 0 ACADHN CCN(C[C@@H]1C[C@H]1C)[C@@H]1CCNC1=O 669621393 486729858 /nfs/dbraw/zinc/72/98/58/486729858.db2.gz RAEIDRFXTSCCSR-KXUCPTDWSA-N 0 3 196.294 0.853 20 0 ACADHN CCN(C[C@@H]1C[C@@H]1C)[C@H]1CCNC1=O 669621392 486729962 /nfs/dbraw/zinc/72/99/62/486729962.db2.gz RAEIDRFXTSCCSR-GUBZILKMSA-N 0 3 196.294 0.853 20 0 ACADHN CCC[C@H](C)N(C)[C@H]1CCNC1=O 669691563 486731160 /nfs/dbraw/zinc/73/11/60/486731160.db2.gz NTJFUGTZVLUJLE-IUCAKERBSA-N 0 3 184.283 0.995 20 0 ACADHN CCC[C@@H](C)N(C)[C@H]1CCNC1=O 669691561 486731583 /nfs/dbraw/zinc/73/15/83/486731583.db2.gz NTJFUGTZVLUJLE-BDAKNGLRSA-N 0 3 184.283 0.995 20 0 ACADHN CCC[C@H](C)N(C)[C@@H]1CCNC1=O 669691562 486731607 /nfs/dbraw/zinc/73/16/07/486731607.db2.gz NTJFUGTZVLUJLE-DTWKUNHWSA-N 0 3 184.283 0.995 20 0 ACADHN C[C@H]1CN(CCN(C)C2CC2)CCO1 669688367 486731702 /nfs/dbraw/zinc/73/17/02/486731702.db2.gz CYGQUWNBYDLKHY-JTQLQIEISA-N 0 3 198.310 0.801 20 0 ACADHN C[C@@H]1CN(CCN(C)C2CC2)CCO1 669688368 486731885 /nfs/dbraw/zinc/73/18/85/486731885.db2.gz CYGQUWNBYDLKHY-SNVBAGLBSA-N 0 3 198.310 0.801 20 0 ACADHN CCC[C@@H](C)N(C)[C@@H]1CCNC1=O 669691564 486732037 /nfs/dbraw/zinc/73/20/37/486732037.db2.gz NTJFUGTZVLUJLE-RKDXNWHRSA-N 0 3 184.283 0.995 20 0 ACADHN CCN(CCO)C[C@@H]1CCCO1 49754501 486733137 /nfs/dbraw/zinc/73/31/37/486733137.db2.gz WGHZTAXYMLBEDK-VIFPVBQESA-N 0 3 173.256 0.480 20 0 ACADHN CC(C)=CCN(CCO)CCO 49753704 486733415 /nfs/dbraw/zinc/73/34/15/486733415.db2.gz UXKDXTADALMRST-UHFFFAOYSA-N 0 3 173.256 0.239 20 0 ACADHN CCN(CCO)C[C@H]1CCCCO1 49754430 486733459 /nfs/dbraw/zinc/73/34/59/486733459.db2.gz UDFJEJIYPQRIGE-SNVBAGLBSA-N 0 3 187.283 0.870 20 0 ACADHN CN(CCO)C[C@@H]1CCCCO1 49633655 486734318 /nfs/dbraw/zinc/73/43/18/486734318.db2.gz OKNUODUGJPJKIK-VIFPVBQESA-N 0 3 173.256 0.480 20 0 ACADHN CCN(CCO)C[C@H]1CCCO1 49754503 486734396 /nfs/dbraw/zinc/73/43/96/486734396.db2.gz WGHZTAXYMLBEDK-SECBINFHSA-N 0 3 173.256 0.480 20 0 ACADHN CN(CCO)C[C@H]1CCCCO1 49633656 486734437 /nfs/dbraw/zinc/73/44/37/486734437.db2.gz OKNUODUGJPJKIK-SECBINFHSA-N 0 3 173.256 0.480 20 0 ACADHN CCN(CCO)C[C@@H]1CCCCO1 49754429 486734458 /nfs/dbraw/zinc/73/44/58/486734458.db2.gz UDFJEJIYPQRIGE-JTQLQIEISA-N 0 3 187.283 0.870 20 0 ACADHN CCCCN1CCN(CCO)CC1 49773758 486734462 /nfs/dbraw/zinc/73/44/62/486734462.db2.gz ONECAFFBSCAQDA-UHFFFAOYSA-N 0 3 186.299 0.396 20 0 ACADHN CCNC(=O)NCCN1CC[C@@H](C)C1 669838434 486734900 /nfs/dbraw/zinc/73/49/00/486734900.db2.gz LRNBSXPUKVSAGR-SECBINFHSA-N 0 3 199.298 0.647 20 0 ACADHN CCNC(=O)NCCN1CC[C@H](C)C1 669838435 486735033 /nfs/dbraw/zinc/73/50/33/486735033.db2.gz LRNBSXPUKVSAGR-VIFPVBQESA-N 0 3 199.298 0.647 20 0 ACADHN CCCN(CC(N)=O)CC1CC1 49800111 486735615 /nfs/dbraw/zinc/73/56/15/486735615.db2.gz BPMQYHLZPJSSMQ-UHFFFAOYSA-N 0 3 170.256 0.594 20 0 ACADHN COCCN(C)CCc1ccnn1C 670072827 486735811 /nfs/dbraw/zinc/73/58/11/486735811.db2.gz BKZVIEOVLQAUDO-UHFFFAOYSA-N 0 3 197.282 0.541 20 0 ACADHN CC(C)CCn1cc(CN)nn1 50224448 486736188 /nfs/dbraw/zinc/73/61/88/486736188.db2.gz JYTAXJDVRSWBFL-UHFFFAOYSA-N 0 3 168.244 0.783 20 0 ACADHN CC(C)CN(CC(N)=O)C(C)C 49943067 486736289 /nfs/dbraw/zinc/73/62/89/486736289.db2.gz FMZQVGBAZLVQBT-UHFFFAOYSA-N 0 3 172.272 0.838 20 0 ACADHN CCCN(CCO)Cc1cnn(C)c1 49826615 486736344 /nfs/dbraw/zinc/73/63/44/486736344.db2.gz QLPJJRCXBLHJGW-UHFFFAOYSA-N 0 3 197.282 0.624 20 0 ACADHN CC(C)N(CCO)Cc1cnn(C)c1 49826617 486736453 /nfs/dbraw/zinc/73/64/53/486736453.db2.gz WIBVFRFECMYVES-UHFFFAOYSA-N 0 3 197.282 0.623 20 0 ACADHN Cc1nccn1CCN(C)CCO 50104667 486736629 /nfs/dbraw/zinc/73/66/29/486736629.db2.gz KNYHQFQJMVYKQL-UHFFFAOYSA-N 0 3 183.255 0.116 20 0 ACADHN CNCC(=O)NCc1ccc(C)s1 50226608 486737073 /nfs/dbraw/zinc/73/70/73/486737073.db2.gz USQUEASZRXAGIZ-UHFFFAOYSA-N 0 3 198.291 0.892 20 0 ACADHN Cc1nccn1CCN(C)C[C@@H](C)O 51821966 486741229 /nfs/dbraw/zinc/74/12/29/486741229.db2.gz PZTRXPXKFSMCFI-SECBINFHSA-N 0 3 197.282 0.504 20 0 ACADHN C[C@H](O)CN(C)Cc1ccc(N)nc1 51840109 486741503 /nfs/dbraw/zinc/74/15/03/486741503.db2.gz CMXPRWWSSBRKPY-QMMMGPOBSA-N 0 3 195.266 0.476 20 0 ACADHN C[C@H](O)CN(C)CCn1ccnc1 51837893 486741627 /nfs/dbraw/zinc/74/16/27/486741627.db2.gz VIKHFBKPIAPFIK-VIFPVBQESA-N 0 3 183.255 0.196 20 0 ACADHN Cc1nccn1CCN(C)C[C@H](C)O 51821967 486741823 /nfs/dbraw/zinc/74/18/23/486741823.db2.gz PZTRXPXKFSMCFI-VIFPVBQESA-N 0 3 197.282 0.504 20 0 ACADHN CN(Cc1c[nH]nn1)C[C@H]1CCOC1 670991070 486742820 /nfs/dbraw/zinc/74/28/20/486742820.db2.gz ADJBFGCJAQTJJG-MRVPVSSYSA-N 0 3 196.254 0.273 20 0 ACADHN c1cc(CNCC2CCOCC2)n[nH]1 52178637 486742830 /nfs/dbraw/zinc/74/28/30/486742830.db2.gz BWYXZQHEEVPUMJ-UHFFFAOYSA-N 0 3 195.266 0.926 20 0 ACADHN CN(Cc1c[nH]nn1)C[C@@H]1CCOC1 670991071 486743078 /nfs/dbraw/zinc/74/30/78/486743078.db2.gz ADJBFGCJAQTJJG-QMMMGPOBSA-N 0 3 196.254 0.273 20 0 ACADHN CCN(Cc1c[nH]nn1)CC(C)(C)O 670991156 486743212 /nfs/dbraw/zinc/74/32/12/486743212.db2.gz LZHCUCAAIGGKQF-UHFFFAOYSA-N 0 3 198.270 0.398 20 0 ACADHN CC(C)NCC(=O)NC1CCC1 52211094 486743228 /nfs/dbraw/zinc/74/32/28/486743228.db2.gz NXBRPHMOKLJWMK-UHFFFAOYSA-N 0 3 170.256 0.653 20 0 ACADHN Cc1cn[nH]c1CN1CCC(O)CC1 671126137 486743260 /nfs/dbraw/zinc/74/32/60/486743260.db2.gz OZGCGZILJFUHRS-UHFFFAOYSA-N 0 3 195.266 0.675 20 0 ACADHN CCCN[C@@H](C)CS(C)(=O)=O 52789161 486746278 /nfs/dbraw/zinc/74/62/78/486746278.db2.gz KIDYPTGVFRLQMV-ZETCQYMHSA-N 0 3 179.285 0.419 20 0 ACADHN CCCN[C@H](C)CS(C)(=O)=O 52789162 486746690 /nfs/dbraw/zinc/74/66/90/486746690.db2.gz KIDYPTGVFRLQMV-SSDOTTSWSA-N 0 3 179.285 0.419 20 0 ACADHN COCCN[C@@H](CO)c1ccccc1 53292227 486748275 /nfs/dbraw/zinc/74/82/75/486748275.db2.gz RELSGGUELXMZJI-NSHDSACASA-N 0 3 195.262 0.956 20 0 ACADHN COCCN[C@H](CO)c1ccccc1 53292228 486748429 /nfs/dbraw/zinc/74/84/29/486748429.db2.gz RELSGGUELXMZJI-LLVKDONJSA-N 0 3 195.262 0.956 20 0 ACADHN COCCN[C@H](C(N)=O)C(C)(C)C 53256521 486748488 /nfs/dbraw/zinc/74/84/88/486748488.db2.gz BAKYJJQOZDOIPJ-SSDOTTSWSA-N 0 3 188.271 0.122 20 0 ACADHN CCn1cc(CCN(C)CCO)cn1 671623163 486748733 /nfs/dbraw/zinc/74/87/33/486748733.db2.gz RRXXIFPKXWRHEU-UHFFFAOYSA-N 0 3 197.282 0.370 20 0 ACADHN CCCN(CCN1CCCC1)C(N)=O 671646765 486751024 /nfs/dbraw/zinc/75/10/24/486751024.db2.gz MXKUIAFLHNEBSZ-UHFFFAOYSA-N 0 3 199.298 0.873 20 0 ACADHN CCCCN(C)C(=O)[C@H](C)NC 54071640 486752733 /nfs/dbraw/zinc/75/27/33/486752733.db2.gz WEPOQYATRJOJJG-QMMMGPOBSA-N 0 3 172.272 0.853 20 0 ACADHN CCCN(CC)C(=O)[C@H](C)NC 54071989 486752787 /nfs/dbraw/zinc/75/27/87/486752787.db2.gz NMSCKRWTHIQZBW-QMMMGPOBSA-N 0 3 172.272 0.853 20 0 ACADHN CC[C@H](C)N(C)C(=O)[C@H](C)NC 54072012 486752902 /nfs/dbraw/zinc/75/29/02/486752902.db2.gz DMIHJBALEBFLGX-YUMQZZPRSA-N 0 3 172.272 0.851 20 0 ACADHN FCCCCN1CCc2nn[nH]c2C1 671688793 486752914 /nfs/dbraw/zinc/75/29/14/486752914.db2.gz VQLRFKMUMUARDL-UHFFFAOYSA-N 0 3 198.245 0.913 20 0 ACADHN FCCCCN1CCc2n[nH]nc2C1 671688793 486752920 /nfs/dbraw/zinc/75/29/20/486752920.db2.gz VQLRFKMUMUARDL-UHFFFAOYSA-N 0 3 198.245 0.913 20 0 ACADHN CCC(=O)N1CCN[C@H](C(C)C)C1 62567021 486766742 /nfs/dbraw/zinc/76/67/42/486766742.db2.gz LQTKIHDRDRAKQW-VIFPVBQESA-N 0 3 184.283 0.853 20 0 ACADHN CCCN(C(=O)[C@H](C)NC)C1CC1 54071996 486753065 /nfs/dbraw/zinc/75/30/65/486753065.db2.gz WMIXTWXCAYRNOW-QMMMGPOBSA-N 0 3 184.283 0.995 20 0 ACADHN CCCN(C)C(=O)[C@H](C)NC 54072000 486753351 /nfs/dbraw/zinc/75/33/51/486753351.db2.gz GFSUNJZMQLOTKM-ZETCQYMHSA-N 0 3 158.245 0.463 20 0 ACADHN CC[C@@H](C)N(C)C(=O)[C@H](C)NC 54072010 486753419 /nfs/dbraw/zinc/75/34/19/486753419.db2.gz DMIHJBALEBFLGX-SFYZADRCSA-N 0 3 172.272 0.851 20 0 ACADHN CCn1cc(NC(=O)[C@H](C)NC)cn1 54072276 486753639 /nfs/dbraw/zinc/75/36/39/486753639.db2.gz IPKPTKZNHGVEHR-ZETCQYMHSA-N 0 3 196.254 0.449 20 0 ACADHN CN[C@@H](C)C(=O)N(C)CC(F)(F)F 54074470 486753723 /nfs/dbraw/zinc/75/37/23/486753723.db2.gz YSEVBGJUBSKWLM-YFKPBYRVSA-N 0 3 198.188 0.615 20 0 ACADHN CN[C@@H](C)C(=O)NCCCCOC 54076765 486754209 /nfs/dbraw/zinc/75/42/09/486754209.db2.gz XHFDWRKHRTVWAH-QMMMGPOBSA-N 0 3 188.271 0.137 20 0 ACADHN CC[C@@H]1CCCN1C(=O)[C@H](C)NC 54075621 486754490 /nfs/dbraw/zinc/75/44/90/486754490.db2.gz MFBBEUNMUGGRDX-DTWKUNHWSA-N 0 3 184.283 0.995 20 0 ACADHN CC[C@H]1CCCN1C(=O)[C@H](C)NC 54075622 486754500 /nfs/dbraw/zinc/75/45/00/486754500.db2.gz MFBBEUNMUGGRDX-IUCAKERBSA-N 0 3 184.283 0.995 20 0 ACADHN CN(CCn1cccn1)C1(CO)CC1 671727283 486754504 /nfs/dbraw/zinc/75/45/04/486754504.db2.gz DKNIHAQCXUQIPN-UHFFFAOYSA-N 0 3 195.266 0.340 20 0 ACADHN CN(CCOCC1CC1)C1(CO)CC1 671727590 486754551 /nfs/dbraw/zinc/75/45/51/486754551.db2.gz OPKKPBZREGFRMM-UHFFFAOYSA-N 0 3 199.294 0.870 20 0 ACADHN CN[C@@H](C)C(=O)NC(C1CC1)C1CC1 54076163 486754660 /nfs/dbraw/zinc/75/46/60/486754660.db2.gz MCTFRDBKFPYIHB-ZETCQYMHSA-N 0 3 196.294 0.899 20 0 ACADHN CN(CCn1ccnc1)C1(CO)CC1 671727608 486755214 /nfs/dbraw/zinc/75/52/14/486755214.db2.gz FQHHFKBGQBVCDR-UHFFFAOYSA-N 0 3 195.266 0.340 20 0 ACADHN CNC(=O)CN1CCC2(CCC2)CC1 671729332 486755434 /nfs/dbraw/zinc/75/54/34/486755434.db2.gz CWSYTUZGUUFQFQ-UHFFFAOYSA-N 0 3 196.294 0.999 20 0 ACADHN CO[C@H](C)CN(C)CCn1ccnc1 671737421 486756765 /nfs/dbraw/zinc/75/67/65/486756765.db2.gz UFVRRCOMYVJANY-SNVBAGLBSA-N 0 3 197.282 0.850 20 0 ACADHN CO[C@@H](C)CN(C)CCn1ccnc1 671737420 486756882 /nfs/dbraw/zinc/75/68/82/486756882.db2.gz UFVRRCOMYVJANY-JTQLQIEISA-N 0 3 197.282 0.850 20 0 ACADHN COC[C@H](C)NCc1c[nH]cn1 54763001 486760155 /nfs/dbraw/zinc/76/01/55/486760155.db2.gz HPZPWMIBVSQAFR-ZETCQYMHSA-N 0 3 169.228 0.534 20 0 ACADHN COC[C@H](C)NCc1cnc[nH]1 54763001 486760159 /nfs/dbraw/zinc/76/01/59/486760159.db2.gz HPZPWMIBVSQAFR-ZETCQYMHSA-N 0 3 169.228 0.534 20 0 ACADHN Cc1ccc(CNCCC(N)=O)cn1 58000200 486760200 /nfs/dbraw/zinc/76/02/00/486760200.db2.gz JWUKMTXHHGUPQF-UHFFFAOYSA-N 0 3 193.250 0.355 20 0 ACADHN COC[C@@H](C)NCc1c[nH]cn1 54763005 486760506 /nfs/dbraw/zinc/76/05/06/486760506.db2.gz HPZPWMIBVSQAFR-SSDOTTSWSA-N 0 3 169.228 0.534 20 0 ACADHN COC[C@@H](C)NCc1cnc[nH]1 54763005 486760512 /nfs/dbraw/zinc/76/05/12/486760512.db2.gz HPZPWMIBVSQAFR-SSDOTTSWSA-N 0 3 169.228 0.534 20 0 ACADHN COc1ccc(F)cc1CNCCO 57490523 486760526 /nfs/dbraw/zinc/76/05/26/486760526.db2.gz XHJDMKSYFOYEAI-UHFFFAOYSA-N 0 3 199.225 0.916 20 0 ACADHN CC[C@H](C(N)=O)N(CC)CCOC 61679306 486762157 /nfs/dbraw/zinc/76/21/57/486762157.db2.gz CFMBJDXWOLSABM-MRVPVSSYSA-N 0 3 188.271 0.219 20 0 ACADHN CCN(CC(C)C)[C@@H](C)C(N)=O 61678975 486762170 /nfs/dbraw/zinc/76/21/70/486762170.db2.gz UKZILQUJHCTCFX-QMMMGPOBSA-N 0 3 172.272 0.838 20 0 ACADHN CCCN(CC)[C@@H](C)C(N)=O 61678981 486762315 /nfs/dbraw/zinc/76/23/15/486762315.db2.gz JJMHJSWBRROTHU-ZETCQYMHSA-N 0 3 158.245 0.592 20 0 ACADHN CCN(CC(C)C)[C@H](C)C(N)=O 61678976 486762445 /nfs/dbraw/zinc/76/24/45/486762445.db2.gz UKZILQUJHCTCFX-MRVPVSSYSA-N 0 3 172.272 0.838 20 0 ACADHN CCCN(CC)[C@H](CC)C(N)=O 61678984 486762607 /nfs/dbraw/zinc/76/26/07/486762607.db2.gz JQLCKSNBUBQPEW-MRVPVSSYSA-N 0 3 172.272 0.982 20 0 ACADHN CC[C@@H](C(N)=O)N(CC)CCOC 61679305 486762826 /nfs/dbraw/zinc/76/28/26/486762826.db2.gz CFMBJDXWOLSABM-QMMMGPOBSA-N 0 3 188.271 0.219 20 0 ACADHN CCCN(CC)[C@@H](CC)C(N)=O 61678983 486762875 /nfs/dbraw/zinc/76/28/75/486762875.db2.gz JQLCKSNBUBQPEW-QMMMGPOBSA-N 0 3 172.272 0.982 20 0 ACADHN CCCN(CC)[C@H](C)C(N)=O 61678982 486762959 /nfs/dbraw/zinc/76/29/59/486762959.db2.gz JJMHJSWBRROTHU-SSDOTTSWSA-N 0 3 158.245 0.592 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)NCC1CC1 672249653 486763768 /nfs/dbraw/zinc/76/37/68/486763768.db2.gz YKBWBGYMZOWAFZ-QMMMGPOBSA-N 0 3 199.298 0.646 20 0 ACADHN CC[C@@H](N)C(=O)N(C)CCCOC 62033639 486763847 /nfs/dbraw/zinc/76/38/47/486763847.db2.gz XCJQGVLUVLGOCR-MRVPVSSYSA-N 0 3 188.271 0.219 20 0 ACADHN CCC[C@@H](O)CN1CCCOCC1 61932852 486763874 /nfs/dbraw/zinc/76/38/74/486763874.db2.gz KFOOFPLAYNTSFJ-SNVBAGLBSA-N 0 3 187.283 0.870 20 0 ACADHN C[C@@H](O)CCCN1CCCOCC1 61932861 486764123 /nfs/dbraw/zinc/76/41/23/486764123.db2.gz GVKVPJLGLAIOFX-SNVBAGLBSA-N 0 3 187.283 0.870 20 0 ACADHN CC[C@H](N)C(=O)N(C)CCCOC 62033638 486764163 /nfs/dbraw/zinc/76/41/63/486764163.db2.gz XCJQGVLUVLGOCR-QMMMGPOBSA-N 0 3 188.271 0.219 20 0 ACADHN CN[C@@H](C)C(=O)N(C)CCCOC 62033653 486764196 /nfs/dbraw/zinc/76/41/96/486764196.db2.gz DKAGIJWWVXRSTG-QMMMGPOBSA-N 0 3 188.271 0.089 20 0 ACADHN C[C@H](O)CCCN1CCCOCC1 61932860 486764743 /nfs/dbraw/zinc/76/47/43/486764743.db2.gz GVKVPJLGLAIOFX-JTQLQIEISA-N 0 3 187.283 0.870 20 0 ACADHN COCCCN(C)C(=O)C(C)(C)N 62033441 486764768 /nfs/dbraw/zinc/76/47/68/486764768.db2.gz ZDMAYLMFDHIPCH-UHFFFAOYSA-N 0 3 188.271 0.219 20 0 ACADHN CCC[C@H](O)CN1CCCOCC1 61932851 486764820 /nfs/dbraw/zinc/76/48/20/486764820.db2.gz KFOOFPLAYNTSFJ-JTQLQIEISA-N 0 3 187.283 0.870 20 0 ACADHN COCCNCc1ccc(OC)nc1 62070771 486765150 /nfs/dbraw/zinc/76/51/50/486765150.db2.gz JNNBTWYLDMUBLZ-UHFFFAOYSA-N 0 3 196.250 0.826 20 0 ACADHN COc1ccc(CNC[C@H](C)O)cn1 62070586 486765160 /nfs/dbraw/zinc/76/51/60/486765160.db2.gz KNYLHLOPLWUHLA-QMMMGPOBSA-N 0 3 196.250 0.561 20 0 ACADHN C[C@H](C(=O)NCCN(C)C)C1CC1 62065848 486765206 /nfs/dbraw/zinc/76/52/06/486765206.db2.gz KELANDRIVQBATD-QMMMGPOBSA-N 0 3 184.283 0.710 20 0 ACADHN C[C@@H](C(=O)NCCN(C)C)C1CC1 62065849 486765335 /nfs/dbraw/zinc/76/53/35/486765335.db2.gz KELANDRIVQBATD-MRVPVSSYSA-N 0 3 184.283 0.710 20 0 ACADHN COc1ccc(CNCCO)cn1 62070518 486765596 /nfs/dbraw/zinc/76/55/96/486765596.db2.gz WFUQQOTYOPEILG-UHFFFAOYSA-N 0 3 182.223 0.172 20 0 ACADHN COc1ccc(CNC[C@@H](C)O)cn1 62070587 486765751 /nfs/dbraw/zinc/76/57/51/486765751.db2.gz KNYLHLOPLWUHLA-MRVPVSSYSA-N 0 3 196.250 0.561 20 0 ACADHN COc1ccc(CNCCCO)cn1 62070531 486765891 /nfs/dbraw/zinc/76/58/91/486765891.db2.gz YVKPTYBHHOCVAU-UHFFFAOYSA-N 0 3 196.250 0.562 20 0 ACADHN CC(C)CNCc1ncnn1C 62743640 486767453 /nfs/dbraw/zinc/76/74/53/486767453.db2.gz ZDSNSAGDCJDOLE-UHFFFAOYSA-N 0 3 168.244 0.561 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)c1cnc[nH]1 672517007 486767944 /nfs/dbraw/zinc/76/79/44/486767944.db2.gz DFPPGDFDCSBARH-ZETCQYMHSA-N 0 3 196.254 0.090 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)c1cnco1 672516909 486767980 /nfs/dbraw/zinc/76/79/80/486767980.db2.gz HMJWPLXQVCNBBZ-ZETCQYMHSA-N 0 3 197.238 0.355 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)c1ccn[nH]1 672516738 486768025 /nfs/dbraw/zinc/76/80/25/486768025.db2.gz ZHILZTOMSJGBRS-ZETCQYMHSA-N 0 3 196.254 0.090 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)c1cocn1 672516849 486768155 /nfs/dbraw/zinc/76/81/55/486768155.db2.gz PRWKSLDOLNTWAS-ZETCQYMHSA-N 0 3 197.238 0.355 20 0 ACADHN CN1CCN(CCOC2CCC2)CC1 672535512 486768180 /nfs/dbraw/zinc/76/81/80/486768180.db2.gz AIQFJWZMOYUHAZ-UHFFFAOYSA-N 0 3 198.310 0.803 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)c1ccc[nH]1 672516850 486768371 /nfs/dbraw/zinc/76/83/71/486768371.db2.gz QLPLYJMGBZFVBQ-QMMMGPOBSA-N 0 3 195.266 0.695 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)c1ccoc1 672516797 486768380 /nfs/dbraw/zinc/76/83/80/486768380.db2.gz GMONMQFPJOPVNW-QMMMGPOBSA-N 0 3 196.250 0.960 20 0 ACADHN C[C@@H]1CN(CCOC2CCC2)C[C@H]1O 672552089 486769751 /nfs/dbraw/zinc/76/97/51/486769751.db2.gz DPPKKABNPUYIHO-MWLCHTKSSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)c1ccon1 672517006 486768646 /nfs/dbraw/zinc/76/86/46/486768646.db2.gz CGVLFNFWQQTFAR-ZETCQYMHSA-N 0 3 197.238 0.355 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)c1cc[nH]c1 672516597 486768655 /nfs/dbraw/zinc/76/86/55/486768655.db2.gz CVCIARRTVXABNA-QMMMGPOBSA-N 0 3 195.266 0.695 20 0 ACADHN OCCCN[C@@H](CO)c1ccccc1 63001803 486768664 /nfs/dbraw/zinc/76/86/64/486768664.db2.gz BDFHHRZJBNAKIW-NSHDSACASA-N 0 3 195.262 0.692 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)C1CC(=O)C1 672516768 486768785 /nfs/dbraw/zinc/76/87/85/486768785.db2.gz ZXTHUGUQLBFDAM-ZETCQYMHSA-N 0 3 198.266 0.032 20 0 ACADHN OCCCN[C@H](CO)c1ccccc1 63001802 486768837 /nfs/dbraw/zinc/76/88/37/486768837.db2.gz BDFHHRZJBNAKIW-LLVKDONJSA-N 0 3 195.262 0.692 20 0 ACADHN NC(=O)CCNCc1ccoc1 63046934 486768855 /nfs/dbraw/zinc/76/88/55/486768855.db2.gz RHPPQZOEXDPECN-UHFFFAOYSA-N 0 3 168.196 0.245 20 0 ACADHN CC[C@@H](N)C(=O)NCCC(F)(F)F 63101005 486769227 /nfs/dbraw/zinc/76/92/27/486769227.db2.gz TVSFXCRUFLDBGS-RXMQYKEDSA-N 0 3 198.188 0.792 20 0 ACADHN CNCC(=O)NCCc1nccs1 63135390 486769329 /nfs/dbraw/zinc/76/93/29/486769329.db2.gz UPPBMRXWACPSKH-UHFFFAOYSA-N 0 3 199.279 0.021 20 0 ACADHN C[C@H]1CN(CCOC2CCC2)C[C@@H]1O 672552090 486769357 /nfs/dbraw/zinc/76/93/57/486769357.db2.gz DPPKKABNPUYIHO-ONGXEEELSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@H](N)C(=O)NCCc1nccs1 63135096 486769363 /nfs/dbraw/zinc/76/93/63/486769363.db2.gz QQXMMJHAHKXPNY-LURJTMIESA-N 0 3 199.279 0.149 20 0 ACADHN NC(=O)CCNCCC(F)(F)F 63099940 486769427 /nfs/dbraw/zinc/76/94/27/486769427.db2.gz WVIXDHHKKOKIQY-UHFFFAOYSA-N 0 3 184.161 0.404 20 0 ACADHN CNCC(=O)NCCC(F)(F)F 63100976 486769464 /nfs/dbraw/zinc/76/94/64/486769464.db2.gz LAIYBVGYIJYPPV-UHFFFAOYSA-N 0 3 184.161 0.274 20 0 ACADHN C[C@H](N)C(=O)NCCC(F)(F)F 63100902 486769484 /nfs/dbraw/zinc/76/94/84/486769484.db2.gz JWBXFGIFTXUNFQ-BYPYZUCNSA-N 0 3 184.161 0.402 20 0 ACADHN CC(C)(N)C(=O)NCCC(F)(F)F 63100890 486769615 /nfs/dbraw/zinc/76/96/15/486769615.db2.gz NDSFKTMNFXYREY-UHFFFAOYSA-N 0 3 198.188 0.792 20 0 ACADHN Cc1csc(CCNC(=O)CN)n1 63134966 486769655 /nfs/dbraw/zinc/76/96/55/486769655.db2.gz XHHHXFFWWUBGAF-UHFFFAOYSA-N 0 3 199.279 0.069 20 0 ACADHN CN[C@@H](C)C(=O)NCCC(F)(F)F 63101018 486769793 /nfs/dbraw/zinc/76/97/93/486769793.db2.gz NGBVKBIGAQSVNO-YFKPBYRVSA-N 0 3 198.188 0.663 20 0 ACADHN C[C@@H](N)C(=O)NCCC(F)(F)F 63100930 486769835 /nfs/dbraw/zinc/76/98/35/486769835.db2.gz JWBXFGIFTXUNFQ-SCSAIBSYSA-N 0 3 184.161 0.402 20 0 ACADHN C[C@@H](N)C(=O)NCCc1nccs1 63135343 486769917 /nfs/dbraw/zinc/76/99/17/486769917.db2.gz QQXMMJHAHKXPNY-ZCFIWIBFSA-N 0 3 199.279 0.149 20 0 ACADHN C[C@H]1CN(CCOC2CCC2)C[C@H]1O 672552087 486769935 /nfs/dbraw/zinc/76/99/35/486769935.db2.gz DPPKKABNPUYIHO-GXSJLCMTSA-N 0 3 199.294 0.868 20 0 ACADHN CC[C@H](N)C(=O)NCCC(F)(F)F 63101004 486769959 /nfs/dbraw/zinc/76/99/59/486769959.db2.gz TVSFXCRUFLDBGS-YFKPBYRVSA-N 0 3 198.188 0.792 20 0 ACADHN C[C@@H]1CN(CCOC2CCC2)C[C@@H]1O 672552088 486770097 /nfs/dbraw/zinc/77/00/97/486770097.db2.gz DPPKKABNPUYIHO-KOLCDFICSA-N 0 3 199.294 0.868 20 0 ACADHN OC[C@@H](O)CNCc1ccsc1 63152915 486770426 /nfs/dbraw/zinc/77/04/26/486770426.db2.gz MPWWKFSSNRCEIY-QMMMGPOBSA-N 0 3 187.264 0.191 20 0 ACADHN C[C@H](O)CN(C)CCc1cccnc1 63224161 486770689 /nfs/dbraw/zinc/77/06/89/486770689.db2.gz LMXAGRAFZLEHCB-JTQLQIEISA-N 0 3 194.278 0.937 20 0 ACADHN CN[C@@H](C)C(=O)NCc1ccsc1 63154788 486770819 /nfs/dbraw/zinc/77/08/19/486770819.db2.gz KISZKWTYVHPITM-ZETCQYMHSA-N 0 3 198.291 0.972 20 0 ACADHN CCCN(CCC)CC(=O)NC 66216355 486771054 /nfs/dbraw/zinc/77/10/54/486771054.db2.gz BQNVZNVRBFNCMA-UHFFFAOYSA-N 0 3 172.272 0.854 20 0 ACADHN CC[C@H](C(N)=O)N(CC)CC1CC1 68947834 486771662 /nfs/dbraw/zinc/77/16/62/486771662.db2.gz XTSSINVBFCZFIC-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@@H](C(N)=O)N(CC)CC1CC1 68947832 486771742 /nfs/dbraw/zinc/77/17/42/486771742.db2.gz XTSSINVBFCZFIC-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN COCCN(C)C[C@@H](O)C1CC1 68908991 486771790 /nfs/dbraw/zinc/77/17/90/486771790.db2.gz LMHDIMBCEKMQIQ-SECBINFHSA-N 0 3 173.256 0.336 20 0 ACADHN COCCN(C)C[C@H](O)C1CC1 68908987 486771804 /nfs/dbraw/zinc/77/18/04/486771804.db2.gz LMHDIMBCEKMQIQ-VIFPVBQESA-N 0 3 173.256 0.336 20 0 ACADHN CN(C[C@@H]1CCCO1)C[C@H](O)C1CC1 68908834 486771887 /nfs/dbraw/zinc/77/18/87/486771887.db2.gz BHIIGUQWYBDFEL-QWRGUYRKSA-N 0 3 199.294 0.868 20 0 ACADHN CN(C[C@H]1CCCO1)C[C@H](O)C1CC1 68908839 486771903 /nfs/dbraw/zinc/77/19/03/486771903.db2.gz BHIIGUQWYBDFEL-MNOVXSKESA-N 0 3 199.294 0.868 20 0 ACADHN CCN(CC1CC1)[C@@H](C)C(N)=O 68947838 486771940 /nfs/dbraw/zinc/77/19/40/486771940.db2.gz NZQOMRZTUUKAJZ-ZETCQYMHSA-N 0 3 170.256 0.592 20 0 ACADHN CCN(CC1CC1)[C@H](C)C(N)=O 68947839 486772120 /nfs/dbraw/zinc/77/21/20/486772120.db2.gz NZQOMRZTUUKAJZ-SSDOTTSWSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@H]1C 673186388 486772443 /nfs/dbraw/zinc/77/24/43/486772443.db2.gz RKQUQWKGHHEMSB-DTWKUNHWSA-N 0 3 199.298 0.740 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)N(C)C1CC1 673186453 486772728 /nfs/dbraw/zinc/77/27/28/486772728.db2.gz RDNFERFHCPZHBZ-QMMMGPOBSA-N 0 3 199.298 0.740 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)N1CC[C@@H]1C 673186389 486772853 /nfs/dbraw/zinc/77/28/53/486772853.db2.gz RKQUQWKGHHEMSB-IUCAKERBSA-N 0 3 199.298 0.740 20 0 ACADHN COc1cccc(CNCCCO)n1 69637561 486773472 /nfs/dbraw/zinc/77/34/72/486773472.db2.gz VLMVZRNLULJJGR-UHFFFAOYSA-N 0 3 196.250 0.562 20 0 ACADHN COc1cccc(CN[C@H](C)CO)n1 69637559 486773710 /nfs/dbraw/zinc/77/37/10/486773710.db2.gz JYZQQVKFDDHNKF-MRVPVSSYSA-N 0 3 196.250 0.561 20 0 ACADHN COc1cccc(CN[C@@H](C)CO)n1 69637558 486773796 /nfs/dbraw/zinc/77/37/96/486773796.db2.gz JYZQQVKFDDHNKF-QMMMGPOBSA-N 0 3 196.250 0.561 20 0 ACADHN COc1cccc(CNC[C@@H](C)O)n1 69637556 486773964 /nfs/dbraw/zinc/77/39/64/486773964.db2.gz MCDVJYHPDOJYBA-MRVPVSSYSA-N 0 3 196.250 0.561 20 0 ACADHN COc1cccc(CNC[C@H](C)O)n1 69637554 486774020 /nfs/dbraw/zinc/77/40/20/486774020.db2.gz MCDVJYHPDOJYBA-QMMMGPOBSA-N 0 3 196.250 0.561 20 0 ACADHN CC(C)NCc1cnc(N(C)C)n1C 69717949 486775861 /nfs/dbraw/zinc/77/58/61/486775861.db2.gz BHWIRQHKMBIHKL-UHFFFAOYSA-N 0 3 196.298 0.984 20 0 ACADHN Cc1nccc(N(C)CCN(C)C)n1 673817102 486777643 /nfs/dbraw/zinc/77/76/43/486777643.db2.gz LEYMWEJQKPWSRF-UHFFFAOYSA-N 0 3 194.282 0.783 20 0 ACADHN CN(C)CCN(C)C(=O)c1ccoc1 673813426 486777802 /nfs/dbraw/zinc/77/78/02/486777802.db2.gz WDOFXNAEUBEALL-UHFFFAOYSA-N 0 3 196.250 0.913 20 0 ACADHN Cc1cc(N(C)CCN(C)C)ncn1 673816910 486778288 /nfs/dbraw/zinc/77/82/88/486778288.db2.gz FZTHXRUHHKTLRW-UHFFFAOYSA-N 0 3 194.282 0.783 20 0 ACADHN C[C@H](NCCN(C)C)c1nccn1C 70007154 486778662 /nfs/dbraw/zinc/77/86/62/486778662.db2.gz UQFRNJOPKWBAHW-VIFPVBQESA-N 0 3 196.298 0.632 20 0 ACADHN CN(C)CCN(C)C(=O)NCC1CC1 673876193 486779186 /nfs/dbraw/zinc/77/91/86/486779186.db2.gz PRCUWVYVXHSBJA-UHFFFAOYSA-N 0 3 199.298 0.599 20 0 ACADHN C[C@@H](NCCN(C)C)c1nccn1C 70007157 486779369 /nfs/dbraw/zinc/77/93/69/486779369.db2.gz UQFRNJOPKWBAHW-SECBINFHSA-N 0 3 196.298 0.632 20 0 ACADHN C[C@@H](NCCN(C)C)c1cnccn1 70024349 486781032 /nfs/dbraw/zinc/78/10/32/486781032.db2.gz XSUDMCHYQQJISI-SECBINFHSA-N 0 3 194.282 0.689 20 0 ACADHN C[C@H](NCCCO)c1cnccn1 70024788 486781356 /nfs/dbraw/zinc/78/13/56/486781356.db2.gz JFFXDMZIOILUQP-QMMMGPOBSA-N 0 3 181.239 0.510 20 0 ACADHN CCN(CCO)[C@H]1CCOC1 70072918 486781475 /nfs/dbraw/zinc/78/14/75/486781475.db2.gz AODRZYTZQIBVRW-QMMMGPOBSA-N 0 3 159.229 0.090 20 0 ACADHN CN(C)CCN(C)C(=O)c1cc[nH]n1 673917281 486781576 /nfs/dbraw/zinc/78/15/76/486781576.db2.gz BCVMIOFCTFUMBA-UHFFFAOYSA-N 0 3 196.254 0.043 20 0 ACADHN CN(C)CCN(C)C(=O)c1ccn[nH]1 673917281 486781579 /nfs/dbraw/zinc/78/15/79/486781579.db2.gz BCVMIOFCTFUMBA-UHFFFAOYSA-N 0 3 196.254 0.043 20 0 ACADHN CC[C@H](CO)N[C@@H](C)c1cnccn1 70024809 486781583 /nfs/dbraw/zinc/78/15/83/486781583.db2.gz BFTSLGNCUIKFNF-DTWKUNHWSA-N 0 3 195.266 0.898 20 0 ACADHN C[C@H](NCCN(C)C)c1cnccn1 70024348 486781647 /nfs/dbraw/zinc/78/16/47/486781647.db2.gz XSUDMCHYQQJISI-VIFPVBQESA-N 0 3 194.282 0.689 20 0 ACADHN CCN(CCO)[C@@H]1CCOC1 70072917 486781695 /nfs/dbraw/zinc/78/16/95/486781695.db2.gz AODRZYTZQIBVRW-MRVPVSSYSA-N 0 3 159.229 0.090 20 0 ACADHN C[C@@H](NCCCO)c1cnccn1 70024792 486781716 /nfs/dbraw/zinc/78/17/16/486781716.db2.gz JFFXDMZIOILUQP-MRVPVSSYSA-N 0 3 181.239 0.510 20 0 ACADHN CC[C@@H](CO)N[C@@H](C)c1cnccn1 70024805 486781790 /nfs/dbraw/zinc/78/17/90/486781790.db2.gz BFTSLGNCUIKFNF-IUCAKERBSA-N 0 3 195.266 0.898 20 0 ACADHN CC[C@H](CO)N[C@H](C)c1cnccn1 70024815 486781857 /nfs/dbraw/zinc/78/18/57/486781857.db2.gz BFTSLGNCUIKFNF-RKDXNWHRSA-N 0 3 195.266 0.898 20 0 ACADHN CC[C@@H](CO)N[C@H](C)c1cnccn1 70024814 486781948 /nfs/dbraw/zinc/78/19/48/486781948.db2.gz BFTSLGNCUIKFNF-BDAKNGLRSA-N 0 3 195.266 0.898 20 0 ACADHN CN(C)CCN(C)C(=O)c1ccon1 673943805 486782042 /nfs/dbraw/zinc/78/20/42/486782042.db2.gz GRWZLKAWMAWARA-UHFFFAOYSA-N 0 3 197.238 0.308 20 0 ACADHN CN(C)CCN(C)C(=O)C1CC=CC1 673945700 486782466 /nfs/dbraw/zinc/78/24/66/486782466.db2.gz WNHRJBRQYYIFOI-UHFFFAOYSA-N 0 3 196.294 0.973 20 0 ACADHN CN(C)CCN(C)C(=O)c1cocn1 673943867 486782788 /nfs/dbraw/zinc/78/27/88/486782788.db2.gz HPQSFYNWDSBHCJ-UHFFFAOYSA-N 0 3 197.238 0.308 20 0 ACADHN CN(C)CCN(C)C(=O)c1cc[nH]c1 673943756 486782922 /nfs/dbraw/zinc/78/29/22/486782922.db2.gz FSXODVRHZZILGJ-UHFFFAOYSA-N 0 3 195.266 0.648 20 0 ACADHN CN(C)CCN(C)C(=O)c1c[nH]cn1 673945671 486782957 /nfs/dbraw/zinc/78/29/57/486782957.db2.gz VXZLZCTYRQNBPJ-UHFFFAOYSA-N 0 3 196.254 0.043 20 0 ACADHN CN(C)CCN(C)Cc1ccon1 673926218 486783003 /nfs/dbraw/zinc/78/30/03/486783003.db2.gz HVBJABKDBACJLA-UHFFFAOYSA-N 0 3 183.255 0.668 20 0 ACADHN COC[C@H](O)CNCc1ccncc1 70558668 486783528 /nfs/dbraw/zinc/78/35/28/486783528.db2.gz HNGOUVDMZGYGFF-SNVBAGLBSA-N 0 3 196.250 0.179 20 0 ACADHN COC[C@H](O)CNCc1ccccn1 70558646 486783603 /nfs/dbraw/zinc/78/36/03/486783603.db2.gz RSYFRBCKJUFVAS-SNVBAGLBSA-N 0 3 196.250 0.179 20 0 ACADHN COC[C@H](O)CN[C@H](C)c1ccco1 70558731 486783661 /nfs/dbraw/zinc/78/36/61/486783661.db2.gz UHZJYFJPYOMVSX-RKDXNWHRSA-N 0 3 199.250 0.938 20 0 ACADHN COC[C@H](O)CN[C@@H](C)c1ccco1 70558730 486783746 /nfs/dbraw/zinc/78/37/46/486783746.db2.gz UHZJYFJPYOMVSX-DTWKUNHWSA-N 0 3 199.250 0.938 20 0 ACADHN COC[C@H](O)CNCc1ccc(C)o1 70558977 486783868 /nfs/dbraw/zinc/78/38/68/486783868.db2.gz FJMNKWQDFDOYJF-SECBINFHSA-N 0 3 199.250 0.685 20 0 ACADHN Cn1cc(CNCC2(C)COC2)cn1 70559477 486783999 /nfs/dbraw/zinc/78/39/99/486783999.db2.gz VJCIHTJJDPANQS-UHFFFAOYSA-N 0 3 195.266 0.546 20 0 ACADHN COC[C@H](O)CNCc1cccnc1 70558666 486783969 /nfs/dbraw/zinc/78/39/69/486783969.db2.gz YNRKUFHUPUZHOF-SNVBAGLBSA-N 0 3 196.250 0.179 20 0 ACADHN OCCN1CCC(OCC2CC2)CC1 674007811 486785352 /nfs/dbraw/zinc/78/53/52/486785352.db2.gz PSCOWLIIHKSPQO-UHFFFAOYSA-N 0 3 199.294 0.870 20 0 ACADHN C[C@@]1(O)CCN(CCOCC2CC2)C1 674010380 486785904 /nfs/dbraw/zinc/78/59/04/486785904.db2.gz QQMMFBITJAJDDK-LLVKDONJSA-N 0 3 199.294 0.870 20 0 ACADHN C[C@]1(O)CCN(CCOCC2CC2)C1 674010381 486786496 /nfs/dbraw/zinc/78/64/96/486786496.db2.gz QQMMFBITJAJDDK-NSHDSACASA-N 0 3 199.294 0.870 20 0 ACADHN Cn1nccc1CNCC1(C)COC1 70617543 486789066 /nfs/dbraw/zinc/78/90/66/486789066.db2.gz CGSMVPASXMYUIW-UHFFFAOYSA-N 0 3 195.266 0.546 20 0 ACADHN CC[C@H](COC)NCC(=O)N(C)C 70623820 486789454 /nfs/dbraw/zinc/78/94/54/486789454.db2.gz UAIRTTZWBVYEAM-MRVPVSSYSA-N 0 3 188.271 0.089 20 0 ACADHN CCNC(=O)CN[C@H](CC)COC 70623872 486789780 /nfs/dbraw/zinc/78/97/80/486789780.db2.gz KYDOOGFAFOZUHC-MRVPVSSYSA-N 0 3 188.271 0.137 20 0 ACADHN CC[C@@H](COC)NCC(=O)N(C)C 70623819 486789819 /nfs/dbraw/zinc/78/98/19/486789819.db2.gz UAIRTTZWBVYEAM-QMMMGPOBSA-N 0 3 188.271 0.089 20 0 ACADHN CCNC(=O)CN[C@@H](CC)COC 70623871 486789878 /nfs/dbraw/zinc/78/98/78/486789878.db2.gz KYDOOGFAFOZUHC-QMMMGPOBSA-N 0 3 188.271 0.137 20 0 ACADHN c1coc(CNCCc2nnc[nH]2)c1 70646030 486791672 /nfs/dbraw/zinc/79/16/72/486791672.db2.gz QHZJSSZXRRCSLX-UHFFFAOYSA-N 0 3 192.222 0.730 20 0 ACADHN CCN1CCN([C@H]2CCCOC2)CC1 674299526 486791863 /nfs/dbraw/zinc/79/18/63/486791863.db2.gz BTXXYHFCQHIZTN-NSHDSACASA-N 0 3 198.310 0.803 20 0 ACADHN COCCN(C)[C@@H]1CCCOC1 674301907 486792049 /nfs/dbraw/zinc/79/20/49/486792049.db2.gz WTQVZCVBAPHINN-SECBINFHSA-N 0 3 173.256 0.744 20 0 ACADHN CC(C)NCC(=O)NCc1ncc[nH]1 70646696 486792113 /nfs/dbraw/zinc/79/21/13/486792113.db2.gz WTEUGVFXYHFQOR-UHFFFAOYSA-N 0 3 196.254 0.024 20 0 ACADHN CCN1CCN([C@@H]2CCCOC2)CC1 674299525 486792218 /nfs/dbraw/zinc/79/22/18/486792218.db2.gz BTXXYHFCQHIZTN-LLVKDONJSA-N 0 3 198.310 0.803 20 0 ACADHN C1COC[C@@H](N2CCCOCC2)C1 674301744 486792268 /nfs/dbraw/zinc/79/22/68/486792268.db2.gz VFMCJTPHFYAFEF-JTQLQIEISA-N 0 3 185.267 0.888 20 0 ACADHN C1COC[C@H](N2CCCOCC2)C1 674301745 486792353 /nfs/dbraw/zinc/79/23/53/486792353.db2.gz VFMCJTPHFYAFEF-SNVBAGLBSA-N 0 3 185.267 0.888 20 0 ACADHN Cc1nc(NC(=O)[C@H](C)N(C)C)n[nH]1 674287885 486792471 /nfs/dbraw/zinc/79/24/71/486792471.db2.gz PMSSCWOEDVCWAG-YFKPBYRVSA-N 0 3 197.242 0.002 20 0 ACADHN COCCN(C)[C@H]1CCCOC1 674301908 486792683 /nfs/dbraw/zinc/79/26/83/486792683.db2.gz WTQVZCVBAPHINN-VIFPVBQESA-N 0 3 173.256 0.744 20 0 ACADHN COCC[C@H](C)NCc1ccnn1C 70797731 486793176 /nfs/dbraw/zinc/79/31/76/486793176.db2.gz ZCGDHLXWXBAOKW-VIFPVBQESA-N 0 3 197.282 0.935 20 0 ACADHN CCN(C[C@H]1COCCO1)C1CC1 674322593 486793433 /nfs/dbraw/zinc/79/34/33/486793433.db2.gz YPFQNTFLHRJGEL-JTQLQIEISA-N 0 3 185.267 0.886 20 0 ACADHN CCN(C[C@@H]1COCCO1)C1CC1 674322594 486793500 /nfs/dbraw/zinc/79/35/00/486793500.db2.gz YPFQNTFLHRJGEL-SNVBAGLBSA-N 0 3 185.267 0.886 20 0 ACADHN COCC[C@@H](C)NCc1ccnn1C 70797734 486793622 /nfs/dbraw/zinc/79/36/22/486793622.db2.gz ZCGDHLXWXBAOKW-SECBINFHSA-N 0 3 197.282 0.935 20 0 ACADHN Cc1occc1C(=O)NCCN(C)C 674308905 486793869 /nfs/dbraw/zinc/79/38/69/486793869.db2.gz IPYLEZRVJVVWOX-UHFFFAOYSA-N 0 3 196.250 0.879 20 0 ACADHN CNCC(=O)NCc1scnc1C 70837638 486795351 /nfs/dbraw/zinc/79/53/51/486795351.db2.gz KRZXDFCIPGSPPE-UHFFFAOYSA-N 0 3 199.279 0.287 20 0 ACADHN CN(C)CCNC(=O)[C@@H]1C[C@H]1C1CC1 674391892 486796667 /nfs/dbraw/zinc/79/66/67/486796667.db2.gz XALZVTFZKTUGMD-VHSXEESVSA-N 0 3 196.294 0.710 20 0 ACADHN CN(C)CCNC(=O)[C@@H]1C[C@@H]1C1CC1 674391890 486796754 /nfs/dbraw/zinc/79/67/54/486796754.db2.gz XALZVTFZKTUGMD-NXEZZACHSA-N 0 3 196.294 0.710 20 0 ACADHN NCc1cn(CCC(F)(F)F)nn1 70916185 486796859 /nfs/dbraw/zinc/79/68/59/486796859.db2.gz CTTAOXODQUPVOR-UHFFFAOYSA-N 0 3 194.160 0.689 20 0 ACADHN CN(C)CCNC(=O)[C@H]1C[C@H]1C1CC1 674391891 486796886 /nfs/dbraw/zinc/79/68/86/486796886.db2.gz XALZVTFZKTUGMD-UWVGGRQHSA-N 0 3 196.294 0.710 20 0 ACADHN Cc1cccnc1CNC(=O)[C@@H](C)N 70909446 486796990 /nfs/dbraw/zinc/79/69/90/486796990.db2.gz ANGIKRVEROTWQC-MRVPVSSYSA-N 0 3 193.250 0.353 20 0 ACADHN CC[C@@H](O)CNCc1ccnn1C 70904752 486797130 /nfs/dbraw/zinc/79/71/30/486797130.db2.gz KMKCHELLNFQDPX-SECBINFHSA-N 0 3 183.255 0.281 20 0 ACADHN CC[C@H](O)CNCc1ccnn1C 70904748 486797320 /nfs/dbraw/zinc/79/73/20/486797320.db2.gz KMKCHELLNFQDPX-VIFPVBQESA-N 0 3 183.255 0.281 20 0 ACADHN CNCC(=O)NCc1ncccc1C 70909489 486797383 /nfs/dbraw/zinc/79/73/83/486797383.db2.gz HBOHZKGCVUIOEA-UHFFFAOYSA-N 0 3 193.250 0.226 20 0 ACADHN Cc1cccnc1CNC(=O)[C@H](C)N 70909430 486797395 /nfs/dbraw/zinc/79/73/95/486797395.db2.gz ANGIKRVEROTWQC-QMMMGPOBSA-N 0 3 193.250 0.353 20 0 ACADHN CN1CCN(CCC2CC2)[C@H](CO)C1 74236917 486797820 /nfs/dbraw/zinc/79/78/20/486797820.db2.gz WIWXBXWOLAOYSC-NSHDSACASA-N 0 3 198.310 0.395 20 0 ACADHN Cc1n[nH]cc1CN[C@@H]1CCOC1 70967952 486798340 /nfs/dbraw/zinc/79/83/40/486798340.db2.gz WPMYTLLSVPNTTO-SECBINFHSA-N 0 3 181.239 0.597 20 0 ACADHN Cc1nc[nH]c1C(=O)NCCN(C)C 74672597 486798966 /nfs/dbraw/zinc/79/89/66/486798966.db2.gz WZJUTXAQFJYBJL-UHFFFAOYSA-N 0 3 196.254 0.010 20 0 ACADHN Cc1ccc(C(=O)NCCN(C)C)o1 74716939 486799954 /nfs/dbraw/zinc/79/99/54/486799954.db2.gz UXTBFCLNEAGPOA-UHFFFAOYSA-N 0 3 196.250 0.879 20 0 ACADHN Cc1ccoc1C(=O)NCCN(C)C 74716717 486799987 /nfs/dbraw/zinc/79/99/87/486799987.db2.gz GHSANINPTFQIDG-UHFFFAOYSA-N 0 3 196.250 0.879 20 0 ACADHN Cc1n[nH]c(C)c1CN[C@@H]1CCOC1 75122407 486800856 /nfs/dbraw/zinc/80/08/56/486800856.db2.gz MPVWPFLRCUPKRW-SECBINFHSA-N 0 3 195.266 0.905 20 0 ACADHN CN(C)CCNC(=O)NC1CCCC1 74921345 486801047 /nfs/dbraw/zinc/80/10/47/486801047.db2.gz UDXIEBKFLQSSPN-UHFFFAOYSA-N 0 3 199.298 0.790 20 0 ACADHN CN(C)CCNC(=O)C1CCC1 74921833 486801141 /nfs/dbraw/zinc/80/11/41/486801141.db2.gz AEMHDYWGLGRWQY-UHFFFAOYSA-N 0 3 170.256 0.464 20 0 ACADHN CC(=O)N(C)CCN1CCCCC1 74917204 486801208 /nfs/dbraw/zinc/80/12/08/486801208.db2.gz FDSFQXSTPAFWFZ-UHFFFAOYSA-N 0 3 184.283 0.951 20 0 ACADHN CN(C(=O)CNC1CC1)C(C)(C)C 77271626 486801663 /nfs/dbraw/zinc/80/16/63/486801663.db2.gz XGPZBFNPISYSLW-UHFFFAOYSA-N 0 3 184.283 0.995 20 0 ACADHN C[C@H](N)C(=O)N(C)C(C)(C)C 77261169 486801798 /nfs/dbraw/zinc/80/17/98/486801798.db2.gz ZLWGOXREBNKDHA-LURJTMIESA-N 0 3 158.245 0.591 20 0 ACADHN CN[C@@H](C)C(=O)N(C)C(C)(C)C 77265011 486802012 /nfs/dbraw/zinc/80/20/12/486802012.db2.gz IFMORKKZADVCAY-ZETCQYMHSA-N 0 3 172.272 0.851 20 0 ACADHN CN(C(=O)C(C)(C)N)C(C)(C)C 77265085 486802090 /nfs/dbraw/zinc/80/20/90/486802090.db2.gz LOMQVGQWAXJGBL-UHFFFAOYSA-N 0 3 172.272 0.981 20 0 ACADHN CO[C@H]1CCN(CCn2cccn2)C1 674466636 486802146 /nfs/dbraw/zinc/80/21/46/486802146.db2.gz LRLFVIBTJHWNLE-JTQLQIEISA-N 0 3 195.266 0.604 20 0 ACADHN OC[C@H](O)CNCc1cccs1 78222912 486803013 /nfs/dbraw/zinc/80/30/13/486803013.db2.gz VIZPBLQZOOKRHS-SSDOTTSWSA-N 0 3 187.264 0.191 20 0 ACADHN CC(C)CCN1CCC[C@H]1C(N)=O 78062956 486803733 /nfs/dbraw/zinc/80/37/33/486803733.db2.gz HAWUYXGRVLGODW-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN CC(C)(N)c1cn(CC2CC2)nn1 78474605 486803960 /nfs/dbraw/zinc/80/39/60/486803960.db2.gz VGVOGNYRRJPDDQ-UHFFFAOYSA-N 0 3 180.255 0.882 20 0 ACADHN CC[C@H](N)C(=O)N[C@H](C)CCOC 81711925 486805367 /nfs/dbraw/zinc/80/53/67/486805367.db2.gz REDIENLUADYAOH-SFYZADRCSA-N 0 3 188.271 0.265 20 0 ACADHN COCC[C@H](C)NC(=O)C(C)(C)N 81711079 486805655 /nfs/dbraw/zinc/80/56/55/486805655.db2.gz RYMKYWXPZSNQLF-ZETCQYMHSA-N 0 3 188.271 0.265 20 0 ACADHN COCC[C@@H](C)NC(=O)C(C)(C)N 81711083 486805793 /nfs/dbraw/zinc/80/57/93/486805793.db2.gz RYMKYWXPZSNQLF-SSDOTTSWSA-N 0 3 188.271 0.265 20 0 ACADHN CC[C@@H](N)C(=O)N[C@H](C)CCOC 81711929 486806164 /nfs/dbraw/zinc/80/61/64/486806164.db2.gz REDIENLUADYAOH-HTQZYQBOSA-N 0 3 188.271 0.265 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H](C)CCOC 81711922 486806184 /nfs/dbraw/zinc/80/61/84/486806184.db2.gz REDIENLUADYAOH-JGVFFNPUSA-N 0 3 188.271 0.265 20 0 ACADHN CN[C@@H](C)C(=O)N[C@@H](C)CCOC 81712013 486806202 /nfs/dbraw/zinc/80/62/02/486806202.db2.gz BJGIERHATZULRR-YUMQZZPRSA-N 0 3 188.271 0.136 20 0 ACADHN CN[C@@H](C)C(=O)N[C@H](C)CCOC 81712018 486806208 /nfs/dbraw/zinc/80/62/08/486806208.db2.gz BJGIERHATZULRR-SFYZADRCSA-N 0 3 188.271 0.136 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H](C)CCOC 81711919 486806231 /nfs/dbraw/zinc/80/62/31/486806231.db2.gz REDIENLUADYAOH-YUMQZZPRSA-N 0 3 188.271 0.265 20 0 ACADHN CC[C@@H](N)C(=O)Nc1ccnn1C 82238589 486806887 /nfs/dbraw/zinc/80/68/87/486806887.db2.gz SNHMSOFHJBPFEJ-ZCFIWIBFSA-N 0 3 182.227 0.096 20 0 ACADHN CN[C@@H](C)C(=O)Nc1cc(C)n(C)n1 82248290 486808305 /nfs/dbraw/zinc/80/83/05/486808305.db2.gz YKWPLKZKARKZNA-ZETCQYMHSA-N 0 3 196.254 0.275 20 0 ACADHN CC[C@@H](N)C(=O)Nc1ccccn1 82247605 486808334 /nfs/dbraw/zinc/80/83/34/486808334.db2.gz XPUUESGOHWZIKO-SSDOTTSWSA-N 0 3 179.223 0.757 20 0 ACADHN Cc1cc(NC(=O)[C@H](C)N)n[nH]1 82247808 486808350 /nfs/dbraw/zinc/80/83/50/486808350.db2.gz VLFBSIDOFOWBFY-YFKPBYRVSA-N 0 3 168.200 0.004 20 0 ACADHN CN[C@@H](C)C(=O)Nc1ccncc1C 82248326 486808467 /nfs/dbraw/zinc/80/84/67/486808467.db2.gz UNCAVIIPLPUCDL-QMMMGPOBSA-N 0 3 193.250 0.936 20 0 ACADHN Cc1ncc(NC(=O)[C@H](C)N)cn1 82247803 486808507 /nfs/dbraw/zinc/80/85/07/486808507.db2.gz PLTKYZLSHVTTKN-YFKPBYRVSA-N 0 3 180.211 0.071 20 0 ACADHN Cc1cnccc1NC(=O)CN 82247925 486808487 /nfs/dbraw/zinc/80/84/87/486808487.db2.gz CQGODGXRHCZIMP-UHFFFAOYSA-N 0 3 165.196 0.287 20 0 ACADHN CN[C@@H](C)C(=O)Nc1cncnc1 82248275 486808578 /nfs/dbraw/zinc/80/85/78/486808578.db2.gz IHNOGNZHUAZZTA-LURJTMIESA-N 0 3 180.211 0.023 20 0 ACADHN CC[C@@H](N)C(=O)Nc1cc(C)[nH]n1 82247619 486808605 /nfs/dbraw/zinc/80/86/05/486808605.db2.gz REVHTVDGJHXMPF-ZCFIWIBFSA-N 0 3 182.227 0.394 20 0 ACADHN Cc1cc(NC(=O)C(C)(C)N)n[nH]1 82247527 486808632 /nfs/dbraw/zinc/80/86/32/486808632.db2.gz ZNHLIUJQQUWHHE-UHFFFAOYSA-N 0 3 182.227 0.394 20 0 ACADHN Cc1cc(NC(=O)[C@@H](N)C(C)C)n[nH]1 82247944 486808670 /nfs/dbraw/zinc/80/86/70/486808670.db2.gz HBSZJSRYIGUNSH-QMMMGPOBSA-N 0 3 196.254 0.640 20 0 ACADHN CC[C@@H](N)C(=O)Nc1cc(C)nn1C 82247627 486808677 /nfs/dbraw/zinc/80/86/77/486808677.db2.gz UNEUFELXIWEYGG-SSDOTTSWSA-N 0 3 196.254 0.404 20 0 ACADHN CC[C@H](N)C(=O)Nc1cncnc1 82247606 486808686 /nfs/dbraw/zinc/80/86/86/486808686.db2.gz BMHLJKCPDOEDDG-ZETCQYMHSA-N 0 3 180.211 0.152 20 0 ACADHN CC(C)(N)C(=O)Nc1cncnc1 82247521 486808701 /nfs/dbraw/zinc/80/87/01/486808701.db2.gz COLOSEYJFWDLOE-UHFFFAOYSA-N 0 3 180.211 0.152 20 0 ACADHN CC[C@H](N)C(=O)Nc1cnc(C)nc1 82247608 486808756 /nfs/dbraw/zinc/80/87/56/486808756.db2.gz FONPJARXVAWVIE-QMMMGPOBSA-N 0 3 194.238 0.461 20 0 ACADHN CN[C@@H](C)C(=O)Nc1ccc(C)nc1 82248322 486808768 /nfs/dbraw/zinc/80/87/68/486808768.db2.gz UIEQMBPHXLENNR-QMMMGPOBSA-N 0 3 193.250 0.936 20 0 ACADHN Cc1cc(NC(=O)[C@H](C)N)nn1C 82247809 486808788 /nfs/dbraw/zinc/80/87/88/486808788.db2.gz CZWZQKNPCQBKLE-LURJTMIESA-N 0 3 182.227 0.014 20 0 ACADHN CC(C)[C@H](N)C(=O)Nc1cncnc1 82247938 486808842 /nfs/dbraw/zinc/80/88/42/486808842.db2.gz XBJGNNWFJRXYFZ-QMMMGPOBSA-N 0 3 194.238 0.398 20 0 ACADHN Cc1ncc(NC(=O)C(C)(C)N)cn1 82247522 486808869 /nfs/dbraw/zinc/80/88/69/486808869.db2.gz RXIQHUCWLJCOLY-UHFFFAOYSA-N 0 3 194.238 0.461 20 0 ACADHN CC[C@@H](N)C(=O)Nc1cnc(C)nc1 82247609 486808896 /nfs/dbraw/zinc/80/88/96/486808896.db2.gz FONPJARXVAWVIE-MRVPVSSYSA-N 0 3 194.238 0.461 20 0 ACADHN CN[C@@H](C)C(=O)Nc1cc(C)[nH]n1 82248288 486808913 /nfs/dbraw/zinc/80/89/13/486808913.db2.gz XKCCNVJYPYWCTB-LURJTMIESA-N 0 3 182.227 0.265 20 0 ACADHN CC[C@@H](N)C(=O)Nc1cncnc1 82247607 486808937 /nfs/dbraw/zinc/80/89/37/486808937.db2.gz BMHLJKCPDOEDDG-SSDOTTSWSA-N 0 3 180.211 0.152 20 0 ACADHN CNCC(=O)Nc1nnc(C)s1 82256308 486809372 /nfs/dbraw/zinc/80/93/72/486809372.db2.gz XFSBKPVJXPWVNU-UHFFFAOYSA-N 0 3 186.240 0.004 20 0 ACADHN CN[C@@H](C)C(=O)Nc1cnc(C)nc1 82248278 486808971 /nfs/dbraw/zinc/80/89/71/486808971.db2.gz XEATVHNHMIJUNQ-LURJTMIESA-N 0 3 194.238 0.331 20 0 ACADHN CC[C@H](N)C(=O)Nc1cc(C)[nH]n1 82247618 486808987 /nfs/dbraw/zinc/80/89/87/486808987.db2.gz REVHTVDGJHXMPF-LURJTMIESA-N 0 3 182.227 0.394 20 0 ACADHN CN(C)CCNC(=O)CC(F)(F)F 82268641 486809664 /nfs/dbraw/zinc/80/96/64/486809664.db2.gz BUHNDKDHYUBDAQ-UHFFFAOYSA-N 0 3 198.188 0.617 20 0 ACADHN CC(C)(NC(=O)CN)c1nccs1 82275003 486809789 /nfs/dbraw/zinc/80/97/89/486809789.db2.gz GLEYHERYNNHGTP-UHFFFAOYSA-N 0 3 199.279 0.453 20 0 ACADHN CNCC(=O)NCCc1cscn1 82276158 486809800 /nfs/dbraw/zinc/80/98/00/486809800.db2.gz UGBXNECISGJAQZ-UHFFFAOYSA-N 0 3 199.279 0.021 20 0 ACADHN CN(C)CCNC(=O)CC1CC1 82268372 486809999 /nfs/dbraw/zinc/80/99/99/486809999.db2.gz FRSFQMGXYVJZRQ-UHFFFAOYSA-N 0 3 170.256 0.464 20 0 ACADHN CN(Cc1cn[nH]c1)C[C@H]1CCOC1 674752301 486810505 /nfs/dbraw/zinc/81/05/05/486810505.db2.gz FOSRZYQLJGAIKI-SECBINFHSA-N 0 3 195.266 0.878 20 0 ACADHN CN1CCN(CCCO)CC1(C)C 82484278 486814269 /nfs/dbraw/zinc/81/42/69/486814269.db2.gz QVKNYHVLSWYHAE-UHFFFAOYSA-N 0 3 186.299 0.395 20 0 ACADHN CN(C)CCNC(=O)c1cncs1 82303893 486810698 /nfs/dbraw/zinc/81/06/98/486810698.db2.gz ZSTBRGNBSXINGR-UHFFFAOYSA-N 0 3 199.279 0.435 20 0 ACADHN COCCCN(C)Cc1cn[nH]c1 674752757 486810722 /nfs/dbraw/zinc/81/07/22/486810722.db2.gz GSFXYQWGNINMTL-UHFFFAOYSA-N 0 3 183.255 0.878 20 0 ACADHN CN(Cc1cn[nH]c1)CC1(C)COC1 674752397 486810804 /nfs/dbraw/zinc/81/08/04/486810804.db2.gz PGYNYJVQYYQKRQ-UHFFFAOYSA-N 0 3 195.266 0.878 20 0 ACADHN CN(Cc1cn[nH]c1)C[C@@H]1CCOC1 674752302 486810889 /nfs/dbraw/zinc/81/08/89/486810889.db2.gz FOSRZYQLJGAIKI-VIFPVBQESA-N 0 3 195.266 0.878 20 0 ACADHN Cc1nocc1C(=O)NCCN(C)C 82302972 486811095 /nfs/dbraw/zinc/81/10/95/486811095.db2.gz YZEZLIGUVRHSFV-UHFFFAOYSA-N 0 3 197.238 0.274 20 0 ACADHN Cc1conc1C(=O)NCCN(C)C 82302970 486811280 /nfs/dbraw/zinc/81/12/80/486811280.db2.gz IZWSCRBSPCTFFN-UHFFFAOYSA-N 0 3 197.238 0.274 20 0 ACADHN C[C@H](O)CN1CCN(C)C(C)(C)C1 82484280 486813520 /nfs/dbraw/zinc/81/35/20/486813520.db2.gz CVCMTMDSKNYIIG-VIFPVBQESA-N 0 3 186.299 0.393 20 0 ACADHN CNCC(=O)N(C)CC1CCCC1 82493088 486813988 /nfs/dbraw/zinc/81/39/88/486813988.db2.gz NEBQCAXETDPQNT-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN C[C@@H](O)CN1CCN(C)C(C)(C)C1 82484281 486814131 /nfs/dbraw/zinc/81/41/31/486814131.db2.gz CVCMTMDSKNYIIG-SECBINFHSA-N 0 3 186.299 0.393 20 0 ACADHN CCN1C[C@@H](NC(=O)C2CC2)[C@H](C)C1 674824508 486814384 /nfs/dbraw/zinc/81/43/84/486814384.db2.gz UPNXDKJMDAYNGF-PSASIEDQSA-N 0 3 196.294 0.853 20 0 ACADHN CCOCCN(CC)C(=O)CNC 82538487 486814819 /nfs/dbraw/zinc/81/48/19/486814819.db2.gz LZIIWQDCVSKJRJ-UHFFFAOYSA-N 0 3 188.271 0.091 20 0 ACADHN C[C@H]([NH3+])CNC(=O)c1ccccc1[O-] 82573739 486814845 /nfs/dbraw/zinc/81/48/45/486814845.db2.gz BEGUHLDXLOAZPY-ZETCQYMHSA-N 0 3 194.234 0.469 20 0 ACADHN CCOCCN(CC)C(=O)[C@@H](C)N 82538418 486814865 /nfs/dbraw/zinc/81/48/65/486814865.db2.gz RINXFQYPYJWBDX-MRVPVSSYSA-N 0 3 188.271 0.219 20 0 ACADHN CCOCCN(CC)C(=O)[C@H](C)N 82538349 486815018 /nfs/dbraw/zinc/81/50/18/486815018.db2.gz RINXFQYPYJWBDX-QMMMGPOBSA-N 0 3 188.271 0.219 20 0 ACADHN C[C@@H]([NH3+])CNC(=O)c1ccccc1[O-] 82573741 486815291 /nfs/dbraw/zinc/81/52/91/486815291.db2.gz BEGUHLDXLOAZPY-SSDOTTSWSA-N 0 3 194.234 0.469 20 0 ACADHN CC[C@@H]1CCN(CC(=O)NC2CC2)C1 674868127 486818916 /nfs/dbraw/zinc/81/89/16/486818916.db2.gz BVUGXMLFABDQSN-SECBINFHSA-N 0 3 196.294 0.997 20 0 ACADHN CC[C@H]1CCN(CC(=O)NC2CC2)C1 674868128 486819431 /nfs/dbraw/zinc/81/94/31/486819431.db2.gz BVUGXMLFABDQSN-VIFPVBQESA-N 0 3 196.294 0.997 20 0 ACADHN CNCC(=O)NCC1(C)CCCC1 82625694 486820209 /nfs/dbraw/zinc/82/02/09/486820209.db2.gz KKVYDHGCXMZMCP-UHFFFAOYSA-N 0 3 184.283 0.902 20 0 ACADHN C[C@@H](N)C(=O)NCCc1cscn1 82626709 486820348 /nfs/dbraw/zinc/82/03/48/486820348.db2.gz UURIJIPPLVAEKX-ZCFIWIBFSA-N 0 3 199.279 0.149 20 0 ACADHN Cc1cc(NC(=O)[C@H](N)C(C)C)n[nH]1 82617729 486820390 /nfs/dbraw/zinc/82/03/90/486820390.db2.gz HBSZJSRYIGUNSH-MRVPVSSYSA-N 0 3 196.254 0.640 20 0 ACADHN Cc1cc(NC(=O)CNC(C)C)n[nH]1 82617801 486820419 /nfs/dbraw/zinc/82/04/19/486820419.db2.gz MSMYDUSKURPWEL-UHFFFAOYSA-N 0 3 196.254 0.655 20 0 ACADHN C[C@H](N)C(=O)NCCc1cscn1 82626708 486820839 /nfs/dbraw/zinc/82/08/39/486820839.db2.gz UURIJIPPLVAEKX-LURJTMIESA-N 0 3 199.279 0.149 20 0 ACADHN NCC(=O)NCCOC1CCCC1 82627818 486821011 /nfs/dbraw/zinc/82/10/11/486821011.db2.gz MICGCLNDNYUWHD-UHFFFAOYSA-N 0 3 186.255 0.021 20 0 ACADHN Cc1cc(NC(=O)[C@@H](C)N)n[nH]1 82617731 486820895 /nfs/dbraw/zinc/82/08/95/486820895.db2.gz VLFBSIDOFOWBFY-RXMQYKEDSA-N 0 3 168.200 0.004 20 0 ACADHN Cc1cc(NC(=O)CNC2CC2)n[nH]1 82617741 486820983 /nfs/dbraw/zinc/82/09/83/486820983.db2.gz XALYXVAKSWXMAW-UHFFFAOYSA-N 0 3 194.238 0.409 20 0 ACADHN Cc1ncsc1CN(C)C(=O)CN 82632945 486821881 /nfs/dbraw/zinc/82/18/81/486821881.db2.gz QXXQEZUPGLJWJK-UHFFFAOYSA-N 0 3 199.279 0.369 20 0 ACADHN CCc1ccccc1CNC(=O)CN 82774802 486826262 /nfs/dbraw/zinc/82/62/62/486826262.db2.gz BXAWTEUBQRETPF-UHFFFAOYSA-N 0 3 192.262 0.824 20 0 ACADHN CN(Cc1cn[nH]c1)CC1(O)CCC1 675125184 486827620 /nfs/dbraw/zinc/82/76/20/486827620.db2.gz ZTNWWJXGCYTUMB-UHFFFAOYSA-N 0 3 195.266 0.757 20 0 ACADHN OCCN1CC[C@@H](c2ccncc2)C1 82891488 486828431 /nfs/dbraw/zinc/82/84/31/486828431.db2.gz BMKUTHKLMAJXSR-LLVKDONJSA-N 0 3 192.262 0.863 20 0 ACADHN CN(C)CCN(C(N)=O)C1CCCC1 675153669 486828729 /nfs/dbraw/zinc/82/87/29/486828729.db2.gz UNBFQFYUMWAEND-UHFFFAOYSA-N 0 3 199.298 0.871 20 0 ACADHN OCCN1CC[C@H](c2ccncc2)C1 82891489 486828836 /nfs/dbraw/zinc/82/88/36/486828836.db2.gz BMKUTHKLMAJXSR-NSHDSACASA-N 0 3 192.262 0.863 20 0 ACADHN CC[C@@H](CN1CCCC1)NC(=O)NC 675152868 486828858 /nfs/dbraw/zinc/82/88/58/486828858.db2.gz CLWQLWCDMZRJDW-VIFPVBQESA-N 0 3 199.298 0.790 20 0 ACADHN CC[C@H](CN1CCCC1)NC(=O)NC 675152861 486828872 /nfs/dbraw/zinc/82/88/72/486828872.db2.gz CLWQLWCDMZRJDW-SECBINFHSA-N 0 3 199.298 0.790 20 0 ACADHN CC(C)CC[C@@H](N)C(N)=O 83144428 486831433 /nfs/dbraw/zinc/83/14/33/486831433.db2.gz INYCBYBXYUVQCZ-ZCFIWIBFSA-N 0 3 144.218 0.235 20 0 ACADHN C[C@H]1CN[C@H](C)CN1C(=O)C1CCC1 83118410 486831505 /nfs/dbraw/zinc/83/15/05/486831505.db2.gz MFCPXUZRCDLEHD-BDAKNGLRSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@@H]1CN(C(=O)C2CCC2)[C@H](C)CN1 83118409 486831581 /nfs/dbraw/zinc/83/15/81/486831581.db2.gz MFCPXUZRCDLEHD-RKDXNWHRSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1CN(C(=O)C2CCC2)[C@@H](C)CN1 83118412 486831605 /nfs/dbraw/zinc/83/16/05/486831605.db2.gz MFCPXUZRCDLEHD-IUCAKERBSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1CN(C(=O)C2CCC2)[C@H](C)CN1 83118411 486831971 /nfs/dbraw/zinc/83/19/71/486831971.db2.gz MFCPXUZRCDLEHD-DTWKUNHWSA-N 0 3 196.294 0.995 20 0 ACADHN CC(C)CC[C@H](N)C(N)=O 83144426 486832163 /nfs/dbraw/zinc/83/21/63/486832163.db2.gz INYCBYBXYUVQCZ-LURJTMIESA-N 0 3 144.218 0.235 20 0 ACADHN COCCNCc1ccc(=O)[nH]c1 83340687 486832447 /nfs/dbraw/zinc/83/24/47/486832447.db2.gz JNXGYVRYENFVLU-UHFFFAOYSA-N 0 3 182.223 0.111 20 0 ACADHN CC(C)CO[C@H]1CCN(CCO)C1 675249780 486832507 /nfs/dbraw/zinc/83/25/07/486832507.db2.gz BTNDNHWWONXUFQ-JTQLQIEISA-N 0 3 187.283 0.726 20 0 ACADHN COC[C@H](C)NCc1ccc(=O)[nH]c1 83342515 486832530 /nfs/dbraw/zinc/83/25/30/486832530.db2.gz NGBBKPOHPUZNAP-QMMMGPOBSA-N 0 3 196.250 0.499 20 0 ACADHN CCCCCNC(=O)C1(N)CC1 83340016 486832588 /nfs/dbraw/zinc/83/25/88/486832588.db2.gz CYPCOPCLEKESKQ-UHFFFAOYSA-N 0 3 170.256 0.784 20 0 ACADHN CC(C)CO[C@@H]1CCN(CCO)C1 675249782 486832664 /nfs/dbraw/zinc/83/26/64/486832664.db2.gz BTNDNHWWONXUFQ-SNVBAGLBSA-N 0 3 187.283 0.726 20 0 ACADHN CC(C)CCNC(=O)C1(N)CC1 83340017 486832734 /nfs/dbraw/zinc/83/27/34/486832734.db2.gz CKWMSDYDYPWXOS-UHFFFAOYSA-N 0 3 170.256 0.640 20 0 ACADHN CCC(CC)CNC(=O)[C@H](C)N 83340109 486832774 /nfs/dbraw/zinc/83/27/74/486832774.db2.gz BWRWVPLDXVXYNT-ZETCQYMHSA-N 0 3 172.272 0.886 20 0 ACADHN CCCCNC(=O)C1(N)CC1 83339645 486833032 /nfs/dbraw/zinc/83/30/32/486833032.db2.gz UWOUDCRFQIBIEG-UHFFFAOYSA-N 0 3 156.229 0.394 20 0 ACADHN Cc1cc(C)cc(CNC(=O)CN)c1 83341789 486833155 /nfs/dbraw/zinc/83/31/55/486833155.db2.gz CEPLGLRXXPPCPU-UHFFFAOYSA-N 0 3 192.262 0.878 20 0 ACADHN COC[C@@H](C)NCc1ccc(=O)[nH]c1 83342516 486833194 /nfs/dbraw/zinc/83/31/94/486833194.db2.gz NGBBKPOHPUZNAP-MRVPVSSYSA-N 0 3 196.250 0.499 20 0 ACADHN CCC(CC)CNC(=O)CN 83339682 486833214 /nfs/dbraw/zinc/83/32/14/486833214.db2.gz VEFVHNQOCHGYDK-UHFFFAOYSA-N 0 3 158.245 0.498 20 0 ACADHN COc1ccc(CNCCO)c(F)c1 83343155 486833331 /nfs/dbraw/zinc/83/33/31/486833331.db2.gz XAHLVSSIMOOIQU-UHFFFAOYSA-N 0 3 199.225 0.916 20 0 ACADHN COC[C@H](NC(=O)[C@H](C)N)C(C)C 83398982 486833733 /nfs/dbraw/zinc/83/37/33/486833733.db2.gz BXDQNSQODYDKQF-YUMQZZPRSA-N 0 3 188.271 0.121 20 0 ACADHN COC[C@H](NC(=O)[C@@H](C)N)C(C)C 83409518 486833828 /nfs/dbraw/zinc/83/38/28/486833828.db2.gz BXDQNSQODYDKQF-SFYZADRCSA-N 0 3 188.271 0.121 20 0 ACADHN COC[C@@H](NC(=O)[C@H](C)N)C(C)C 83398985 486833949 /nfs/dbraw/zinc/83/39/49/486833949.db2.gz BXDQNSQODYDKQF-JGVFFNPUSA-N 0 3 188.271 0.121 20 0 ACADHN COC[C@@H](NC(=O)[C@@H](C)N)C(C)C 83409522 486834380 /nfs/dbraw/zinc/83/43/80/486834380.db2.gz BXDQNSQODYDKQF-HTQZYQBOSA-N 0 3 188.271 0.121 20 0 ACADHN CCCCN1CCC[C@@H]1C(N)=O 83428521 486835210 /nfs/dbraw/zinc/83/52/10/486835210.db2.gz DUWFKLLOEYCHRL-MRVPVSSYSA-N 0 3 170.256 0.736 20 0 ACADHN CN(C)CCNC(=O)[C@@H]1CC12CCC2 675358769 486835451 /nfs/dbraw/zinc/83/54/51/486835451.db2.gz PIWRJVFQFCRZTQ-VIFPVBQESA-N 0 3 196.294 0.854 20 0 ACADHN CN(C)CCNC(=O)[C@H]1CC12CCC2 675358764 486835562 /nfs/dbraw/zinc/83/55/62/486835562.db2.gz PIWRJVFQFCRZTQ-SECBINFHSA-N 0 3 196.294 0.854 20 0 ACADHN CCNCc1cnc(C)n1C 83534642 486836737 /nfs/dbraw/zinc/83/67/37/486836737.db2.gz NRCXLYQEUGQJNZ-UHFFFAOYSA-N 0 3 153.229 0.838 20 0 ACADHN CC1(C(=O)NCCN2CCCC2)CC1 675435214 486836988 /nfs/dbraw/zinc/83/69/88/486836988.db2.gz LTNCHXXDQVEOCI-UHFFFAOYSA-N 0 3 196.294 0.999 20 0 ACADHN COCCNCc1cnc(C)n1C 83534742 486837137 /nfs/dbraw/zinc/83/71/37/486837137.db2.gz VRCFZKYVYMTDNP-UHFFFAOYSA-N 0 3 183.255 0.465 20 0 ACADHN Cc1ncc(CNC2CC2)n1C 83534703 486837280 /nfs/dbraw/zinc/83/72/80/486837280.db2.gz YFFCVEVWRUWXCW-UHFFFAOYSA-N 0 3 165.240 0.981 20 0 ACADHN CN(CCNC(=O)C1(C)CC1)C1CC1 675445109 486837695 /nfs/dbraw/zinc/83/76/95/486837695.db2.gz QHORPFBXNADWPC-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CN(CCC(N)=O)Cc1cccn1C 675506380 486842348 /nfs/dbraw/zinc/84/23/48/486842348.db2.gz ZKQURMYQDCQQRV-UHFFFAOYSA-N 0 3 195.266 0.332 20 0 ACADHN C[C@@H]1C[C@@H](C)CN(C(=O)C2(N)CC2)C1 83833930 486842892 /nfs/dbraw/zinc/84/28/92/486842892.db2.gz MGTXRAIELRECFJ-RKDXNWHRSA-N 0 3 196.294 0.982 20 0 ACADHN CCN(CC1CC1)C(=O)C1(N)CC1 83836252 486842924 /nfs/dbraw/zinc/84/29/24/486842924.db2.gz PYAKPBRCPYUOMN-UHFFFAOYSA-N 0 3 182.267 0.736 20 0 ACADHN CCN(CC(C)C)C(=O)C1(N)CC1 83834112 486842935 /nfs/dbraw/zinc/84/29/35/486842935.db2.gz DMRDVCXUMSWWHG-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN Cc1ccc(CNC(=O)C2(N)CC2)o1 83835860 486842943 /nfs/dbraw/zinc/84/29/43/486842943.db2.gz LECGCPFOGXNAJW-UHFFFAOYSA-N 0 3 194.234 0.696 20 0 ACADHN C[C@H](C1CC1)N(C)C(=O)C1(N)CC1 83834314 486843319 /nfs/dbraw/zinc/84/33/19/486843319.db2.gz JVIMDXXVCLMUFS-SSDOTTSWSA-N 0 3 182.267 0.735 20 0 ACADHN C[C@H]1CO[C@H](C)CN1C(=O)C1(N)CC1 83834264 486843011 /nfs/dbraw/zinc/84/30/11/486843011.db2.gz YPBHHWBOXVJFSY-JGVFFNPUSA-N 0 3 198.266 0.114 20 0 ACADHN C[C@H]1CN(C(=O)C2(N)CC2)[C@@H](C)CO1 83834268 486843036 /nfs/dbraw/zinc/84/30/36/486843036.db2.gz YPBHHWBOXVJFSY-YUMQZZPRSA-N 0 3 198.266 0.114 20 0 ACADHN CC[C@H](C)CN(C)C(=O)C1(N)CC1 83834121 486843089 /nfs/dbraw/zinc/84/30/89/486843089.db2.gz IOVVTDUCLSALTN-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN Cc1cc(NC(=O)C2(N)CC2)n(C)n1 83833950 486843113 /nfs/dbraw/zinc/84/31/13/486843113.db2.gz HBURBAJYGHSAHA-UHFFFAOYSA-N 0 3 194.238 0.158 20 0 ACADHN NC1(C(=O)NCC(F)(F)F)CC1 83833985 486843139 /nfs/dbraw/zinc/84/31/39/486843139.db2.gz AFOGCSKSZUFPND-UHFFFAOYSA-N 0 3 182.145 0.156 20 0 ACADHN CC[C@@H](C)CN(C)C(=O)C1(N)CC1 83834119 486843181 /nfs/dbraw/zinc/84/31/81/486843181.db2.gz IOVVTDUCLSALTN-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H]1CN(C(=O)C2(N)CC2)[C@H](C)CO1 83834262 486843235 /nfs/dbraw/zinc/84/32/35/486843235.db2.gz YPBHHWBOXVJFSY-SFYZADRCSA-N 0 3 198.266 0.114 20 0 ACADHN CC[C@@H](COC)NC(=O)C1(N)CC1 83836361 486843287 /nfs/dbraw/zinc/84/32/87/486843287.db2.gz HJGDZQHVBSSTAD-ZETCQYMHSA-N 0 3 186.255 0.019 20 0 ACADHN CC[C@H](COC)NC(=O)C1(N)CC1 83836363 486843332 /nfs/dbraw/zinc/84/33/32/486843332.db2.gz HJGDZQHVBSSTAD-SSDOTTSWSA-N 0 3 186.255 0.019 20 0 ACADHN NC1(C(=O)Nc2ccncc2)CC1 83833957 486843405 /nfs/dbraw/zinc/84/34/05/486843405.db2.gz UTHADROPIHSBRR-UHFFFAOYSA-N 0 3 177.207 0.511 20 0 ACADHN C[C@H]1C[C@H](C)CN(C(=O)C2(N)CC2)C1 83833928 486843419 /nfs/dbraw/zinc/84/34/19/486843419.db2.gz MGTXRAIELRECFJ-IUCAKERBSA-N 0 3 196.294 0.982 20 0 ACADHN CC(C)CCN(C)C(=O)C1(N)CC1 83834932 486843574 /nfs/dbraw/zinc/84/35/74/486843574.db2.gz DGSCBLZNHAKJHZ-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN NC1(C(=O)NC(C2CC2)C2CC2)CC1 83835333 486843638 /nfs/dbraw/zinc/84/36/38/486843638.db2.gz JQZZUAMOJTXQTC-UHFFFAOYSA-N 0 3 194.278 0.783 20 0 ACADHN C[C@@H]1CN(C(=O)C2(N)CC2)CCCO1 83835971 486843682 /nfs/dbraw/zinc/84/36/82/486843682.db2.gz ZFNLDQHAVSJZKC-MRVPVSSYSA-N 0 3 198.266 0.115 20 0 ACADHN C[C@@H](C1CC1)N(C)C(=O)C1(N)CC1 83834311 486843697 /nfs/dbraw/zinc/84/36/97/486843697.db2.gz JVIMDXXVCLMUFS-ZETCQYMHSA-N 0 3 182.267 0.735 20 0 ACADHN C[C@@H]1CN(C(=O)C2(N)CC2)[C@H](C)CO1 83834259 486843754 /nfs/dbraw/zinc/84/37/54/486843754.db2.gz YPBHHWBOXVJFSY-HTQZYQBOSA-N 0 3 198.266 0.114 20 0 ACADHN NC1(C(=O)NCCC(F)(F)F)CC1 83836060 486843829 /nfs/dbraw/zinc/84/38/29/486843829.db2.gz IFEPVKZUOGVWKZ-UHFFFAOYSA-N 0 3 196.172 0.546 20 0 ACADHN C[C@H]1CN(C(=O)C2(N)CC2)CCCO1 83835973 486843840 /nfs/dbraw/zinc/84/38/40/486843840.db2.gz ZFNLDQHAVSJZKC-QMMMGPOBSA-N 0 3 198.266 0.115 20 0 ACADHN CCCN(CC)C(=O)C1(N)CC1 83834102 486843912 /nfs/dbraw/zinc/84/39/12/486843912.db2.gz SDQVTGRCVQDOQN-UHFFFAOYSA-N 0 3 170.256 0.736 20 0 ACADHN NC1(C(=O)N2CCCCC2)CC1 83833952 486843922 /nfs/dbraw/zinc/84/39/22/486843922.db2.gz URXJFXUCZMNSEE-UHFFFAOYSA-N 0 3 168.240 0.490 20 0 ACADHN C[C@H]1C[C@@H](C)CN(C(=O)C2(N)CC2)C1 83833927 486843958 /nfs/dbraw/zinc/84/39/58/486843958.db2.gz MGTXRAIELRECFJ-DTORHVGOSA-N 0 3 196.294 0.982 20 0 ACADHN CC1(C)CNCCN1C(=O)CC1CC1 83842555 486844539 /nfs/dbraw/zinc/84/45/39/486844539.db2.gz LSVXXRKDFUWLSL-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CN[C@@H](C)C(=O)Nc1ccc(F)cn1 83853155 486844707 /nfs/dbraw/zinc/84/47/07/486844707.db2.gz CFQRVEKCLSSAIX-LURJTMIESA-N 0 3 197.213 0.767 20 0 ACADHN CC1(C)CNCCN1C(=O)C1CCC1 83842517 486844849 /nfs/dbraw/zinc/84/48/49/486844849.db2.gz GKXNGWHRBJLDLA-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN C[C@H]1C[C@H]1C(=O)N1CCNCC1(C)C 83842522 486844905 /nfs/dbraw/zinc/84/49/05/486844905.db2.gz YYUPLWUNECVOSB-DTWKUNHWSA-N 0 3 196.294 0.853 20 0 ACADHN CC[C@@H](N)C(=O)Nc1ccc(F)cn1 83853152 486845070 /nfs/dbraw/zinc/84/50/70/486845070.db2.gz WSDKRVQLXXVENG-SSDOTTSWSA-N 0 3 197.213 0.897 20 0 ACADHN COCC[C@H](C)NC(=O)C1(N)CC1 83836427 486845104 /nfs/dbraw/zinc/84/51/04/486845104.db2.gz FXBBREYSQWBQOP-ZETCQYMHSA-N 0 3 186.255 0.019 20 0 ACADHN C[C@H]1C[C@@H]1C(=O)N1CCNCC1(C)C 83842520 486845137 /nfs/dbraw/zinc/84/51/37/486845137.db2.gz YYUPLWUNECVOSB-IUCAKERBSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@@H]1C[C@@H]1C(=O)N1CCNCC1(C)C 83842519 486845190 /nfs/dbraw/zinc/84/51/90/486845190.db2.gz YYUPLWUNECVOSB-BDAKNGLRSA-N 0 3 196.294 0.853 20 0 ACADHN COCC[C@@H](C)NC(=O)C1(N)CC1 83836429 486845201 /nfs/dbraw/zinc/84/52/01/486845201.db2.gz FXBBREYSQWBQOP-SSDOTTSWSA-N 0 3 186.255 0.019 20 0 ACADHN CCNC(=O)N1CCNCC1(C)C 83842588 486845215 /nfs/dbraw/zinc/84/52/15/486845215.db2.gz XDLNRYAZZGJZSW-UHFFFAOYSA-N 0 3 185.271 0.400 20 0 ACADHN C[C@@H]1C[C@H]1C(=O)N1CCNCC1(C)C 83842521 486845226 /nfs/dbraw/zinc/84/52/26/486845226.db2.gz YYUPLWUNECVOSB-RKDXNWHRSA-N 0 3 196.294 0.853 20 0 ACADHN CC(C)NC(=O)N1CCNCC1(C)C 83842583 486845243 /nfs/dbraw/zinc/84/52/43/486845243.db2.gz IZJRYYGDMGSXQR-UHFFFAOYSA-N 0 3 199.298 0.788 20 0 ACADHN COC[C@H]1CN(CC2CC2)CCO1 675639896 486845534 /nfs/dbraw/zinc/84/55/34/486845534.db2.gz IUCBPDNMVJYEHX-SNVBAGLBSA-N 0 3 185.267 0.744 20 0 ACADHN C[C@H](CNC(=O)CN)c1nccs1 83888674 486845750 /nfs/dbraw/zinc/84/57/50/486845750.db2.gz XEWOUUNMNGSWDG-ZCFIWIBFSA-N 0 3 199.279 0.322 20 0 ACADHN Cc1ncc([C@@H](C)NC(=O)CN)s1 83889528 486845786 /nfs/dbraw/zinc/84/57/86/486845786.db2.gz NUNJUSLJOMUSDE-RXMQYKEDSA-N 0 3 199.279 0.587 20 0 ACADHN CC[C@H](C)C[C@H](C)NC(=O)CN 83865879 486845835 /nfs/dbraw/zinc/84/58/35/486845835.db2.gz KOLJHSGUBZWAIX-YUMQZZPRSA-N 0 3 172.272 0.886 20 0 ACADHN NC(=O)N1CCCN(CC2CC2)CC1 675638979 486845859 /nfs/dbraw/zinc/84/58/59/486845859.db2.gz BFDZJHCZGVWZJU-UHFFFAOYSA-N 0 3 197.282 0.483 20 0 ACADHN Cc1cnc(CNC(=O)[C@@H](C)N)s1 83889349 486845908 /nfs/dbraw/zinc/84/59/08/486845908.db2.gz AUWYBYYGYHFTKX-ZCFIWIBFSA-N 0 3 199.279 0.415 20 0 ACADHN CCc1cnc(CNC(=O)CN)s1 83889322 486845917 /nfs/dbraw/zinc/84/59/17/486845917.db2.gz HVSIPSJQEHUWHC-UHFFFAOYSA-N 0 3 199.279 0.280 20 0 ACADHN Cc1cnc(CNC(=O)CN)s1 83889348 486845978 /nfs/dbraw/zinc/84/59/78/486845978.db2.gz LVNNNURVRBOYBH-UHFFFAOYSA-N 0 3 185.252 0.026 20 0 ACADHN Cc1ncc([C@H](C)NC(=O)CN)s1 83889529 486845989 /nfs/dbraw/zinc/84/59/89/486845989.db2.gz NUNJUSLJOMUSDE-YFKPBYRVSA-N 0 3 199.279 0.587 20 0 ACADHN COC[C@@H]1CN(CC2CC2)CCO1 675639895 486846013 /nfs/dbraw/zinc/84/60/13/486846013.db2.gz IUCBPDNMVJYEHX-JTQLQIEISA-N 0 3 185.267 0.744 20 0 ACADHN C[C@H](N)C(=O)N(C)C(C1CC1)C1CC1 83888356 486846092 /nfs/dbraw/zinc/84/60/92/486846092.db2.gz FXQFMKHTVGQKGO-ZETCQYMHSA-N 0 3 196.294 0.981 20 0 ACADHN C[C@@H](CNC(=O)CN)c1nccs1 83888673 486846103 /nfs/dbraw/zinc/84/61/03/486846103.db2.gz XEWOUUNMNGSWDG-LURJTMIESA-N 0 3 199.279 0.322 20 0 ACADHN CNCC(=O)NCc1ccncc1C 83884918 486846123 /nfs/dbraw/zinc/84/61/23/486846123.db2.gz CYTBGTJINQJMNR-UHFFFAOYSA-N 0 3 193.250 0.226 20 0 ACADHN CC[C@@H](C)C[C@H](C)NC(=O)CN 83865878 486846156 /nfs/dbraw/zinc/84/61/56/486846156.db2.gz KOLJHSGUBZWAIX-SFYZADRCSA-N 0 3 172.272 0.886 20 0 ACADHN Cc1cnc(CNC(=O)[C@H](C)N)s1 83889350 486846215 /nfs/dbraw/zinc/84/62/15/486846215.db2.gz AUWYBYYGYHFTKX-LURJTMIESA-N 0 3 199.279 0.415 20 0 ACADHN C[C@H](Cc1ccccn1)NC(=O)CN 83887978 486846375 /nfs/dbraw/zinc/84/63/75/486846375.db2.gz XWEHTGRIQBLRON-MRVPVSSYSA-N 0 3 193.250 0.088 20 0 ACADHN C[C@@H](N)C(=O)N(C)C(C1CC1)C1CC1 83888357 486846388 /nfs/dbraw/zinc/84/63/88/486846388.db2.gz FXQFMKHTVGQKGO-SSDOTTSWSA-N 0 3 196.294 0.981 20 0 ACADHN C[C@@H](Cc1ccccn1)NC(=O)CN 83887977 486846397 /nfs/dbraw/zinc/84/63/97/486846397.db2.gz XWEHTGRIQBLRON-QMMMGPOBSA-N 0 3 193.250 0.088 20 0 ACADHN CN(C(=O)CN)C(C1CC1)C1CC1 83888355 486846421 /nfs/dbraw/zinc/84/64/21/486846421.db2.gz ZLFOSTRUYHXQGO-UHFFFAOYSA-N 0 3 182.267 0.592 20 0 ACADHN CNCC(=O)NCc1ncc(C)s1 83889358 486846429 /nfs/dbraw/zinc/84/64/29/486846429.db2.gz GMWMNXAYGNSMJJ-UHFFFAOYSA-N 0 3 199.279 0.287 20 0 ACADHN Cc1cnc([C@H](C)NC(=O)CN)s1 83889362 486846501 /nfs/dbraw/zinc/84/65/01/486846501.db2.gz DILXARQMRPRVOR-LURJTMIESA-N 0 3 199.279 0.587 20 0 ACADHN CC[C@H](C)C[C@@H](C)NC(=O)CN 83865875 486846534 /nfs/dbraw/zinc/84/65/34/486846534.db2.gz KOLJHSGUBZWAIX-JGVFFNPUSA-N 0 3 172.272 0.886 20 0 ACADHN Cc1cnc([C@@H](C)NC(=O)CN)s1 83889361 486846703 /nfs/dbraw/zinc/84/67/03/486846703.db2.gz DILXARQMRPRVOR-ZCFIWIBFSA-N 0 3 199.279 0.587 20 0 ACADHN CC(C)c1cc(CNC(=O)CN)on1 83887526 486846800 /nfs/dbraw/zinc/84/68/00/486846800.db2.gz YMBUHHIVGCIANH-UHFFFAOYSA-N 0 3 197.238 0.373 20 0 ACADHN C[C@H](Cc1ccncc1)NC(=O)CN 83887994 486846830 /nfs/dbraw/zinc/84/68/30/486846830.db2.gz GTBGAIALBSWMMY-MRVPVSSYSA-N 0 3 193.250 0.088 20 0 ACADHN C[C@@H](Cc1ccncc1)NC(=O)CN 83887993 486846846 /nfs/dbraw/zinc/84/68/46/486846846.db2.gz GTBGAIALBSWMMY-QMMMGPOBSA-N 0 3 193.250 0.088 20 0 ACADHN CC[C@@H](C)C[C@@H](C)NC(=O)CN 83865873 486846858 /nfs/dbraw/zinc/84/68/58/486846858.db2.gz KOLJHSGUBZWAIX-HTQZYQBOSA-N 0 3 172.272 0.886 20 0 ACADHN CNCC(=O)NCCC1CC1 83894415 486847168 /nfs/dbraw/zinc/84/71/68/486847168.db2.gz DFVHSKUWJHGHES-UHFFFAOYSA-N 0 3 156.229 0.122 20 0 ACADHN CC(C)[C@@H](N)C(=O)NCCC1CC1 83894331 486847205 /nfs/dbraw/zinc/84/72/05/486847205.db2.gz YTLGNGHDLUEPGX-SECBINFHSA-N 0 3 184.283 0.886 20 0 ACADHN CC[C@H](N)C(=O)NCCC1CC1 83894416 486847230 /nfs/dbraw/zinc/84/72/30/486847230.db2.gz LSAFMNXYMLKBCV-QMMMGPOBSA-N 0 3 170.256 0.640 20 0 ACADHN C[C@H](N)C(=O)NCC(C1CC1)C1CC1 83894609 486847302 /nfs/dbraw/zinc/84/73/02/486847302.db2.gz QNUKQNUGSLHLQB-ZETCQYMHSA-N 0 3 196.294 0.886 20 0 ACADHN NC1(C(=O)NCCC2CC2)CC1 83894330 486847350 /nfs/dbraw/zinc/84/73/50/486847350.db2.gz IZBCYBZPACSLJN-UHFFFAOYSA-N 0 3 168.240 0.394 20 0 ACADHN CC[C@@H](N)C(=O)NCCC1CC1 83894417 486847429 /nfs/dbraw/zinc/84/74/29/486847429.db2.gz LSAFMNXYMLKBCV-MRVPVSSYSA-N 0 3 170.256 0.640 20 0 ACADHN C[C@@H](N)C(=O)NCC(C1CC1)C1CC1 83894628 486847442 /nfs/dbraw/zinc/84/74/42/486847442.db2.gz QNUKQNUGSLHLQB-SSDOTTSWSA-N 0 3 196.294 0.886 20 0 ACADHN O=C(CNC1CC1)NCCC1CC1 83894404 486847474 /nfs/dbraw/zinc/84/74/74/486847474.db2.gz OCOZCPWBSFVJPC-UHFFFAOYSA-N 0 3 182.267 0.655 20 0 ACADHN CC(C)[C@H](N)C(=O)NCCC1CC1 83894374 486847557 /nfs/dbraw/zinc/84/75/57/486847557.db2.gz YTLGNGHDLUEPGX-VIFPVBQESA-N 0 3 184.283 0.886 20 0 ACADHN CN[C@@H](C)C(=O)NCCC1CC1 83894423 486847587 /nfs/dbraw/zinc/84/75/87/486847587.db2.gz IRGFBRGDEOVBPK-ZETCQYMHSA-N 0 3 170.256 0.511 20 0 ACADHN C[C@@H](N)C(=O)NCCC1CC1 83894406 486847612 /nfs/dbraw/zinc/84/76/12/486847612.db2.gz JQOLBBHRXXCZTD-ZCFIWIBFSA-N 0 3 156.229 0.250 20 0 ACADHN NCC(=O)NCC(C1CC1)C1CC1 83894618 486847726 /nfs/dbraw/zinc/84/77/26/486847726.db2.gz MHEZODBSRIYJLE-UHFFFAOYSA-N 0 3 182.267 0.498 20 0 ACADHN C[C@H](N)C(=O)NCCC1CC1 83894362 486847797 /nfs/dbraw/zinc/84/77/97/486847797.db2.gz JQOLBBHRXXCZTD-LURJTMIESA-N 0 3 156.229 0.250 20 0 ACADHN CNCC(=O)NCC(C1CC1)C1CC1 83894632 486847839 /nfs/dbraw/zinc/84/78/39/486847839.db2.gz AVLPFYJEPPJYKY-UHFFFAOYSA-N 0 3 196.294 0.758 20 0 ACADHN CC(C)NCC(=O)NCCC1CC1 83894405 486847955 /nfs/dbraw/zinc/84/79/55/486847955.db2.gz KYXGLOVKTFFRHV-UHFFFAOYSA-N 0 3 184.283 0.901 20 0 ACADHN CC(C)(N)C(=O)NCCC1CC1 83894505 486848033 /nfs/dbraw/zinc/84/80/33/486848033.db2.gz DVBLLPRGSDMNAW-UHFFFAOYSA-N 0 3 170.256 0.640 20 0 ACADHN C[C@H](N)C(=O)N(C)Cc1nccs1 83930283 486848344 /nfs/dbraw/zinc/84/83/44/486848344.db2.gz ARMKIIAMCZAJDV-LURJTMIESA-N 0 3 199.279 0.449 20 0 ACADHN C[C@H](CNC(=O)C(C)(C)N)C1CC1 83908235 486848431 /nfs/dbraw/zinc/84/84/31/486848431.db2.gz UWISYNPQTBAFGN-SSDOTTSWSA-N 0 3 184.283 0.886 20 0 ACADHN Cc1noc(CCCN(C)CCO)n1 675642799 486848582 /nfs/dbraw/zinc/84/85/82/486848582.db2.gz BKRBMVAGVHJIIE-UHFFFAOYSA-N 0 3 199.254 0.235 20 0 ACADHN Cc1noc(C)c1CNC(=O)[C@H](C)N 83903138 486848473 /nfs/dbraw/zinc/84/84/73/486848473.db2.gz KOVCYTRBSYUGGV-YFKPBYRVSA-N 0 3 197.238 0.255 20 0 ACADHN C[C@@H](N)C(=O)N(C)Cc1nccs1 83930284 486848661 /nfs/dbraw/zinc/84/86/61/486848661.db2.gz ARMKIIAMCZAJDV-ZCFIWIBFSA-N 0 3 199.279 0.449 20 0 ACADHN C[C@H](CNC(=O)CN)c1ccccn1 83934355 486848671 /nfs/dbraw/zinc/84/86/71/486848671.db2.gz YPEMGFLCYFSGNY-MRVPVSSYSA-N 0 3 193.250 0.260 20 0 ACADHN CC(C)C(C)(C)NC(=O)[C@H](C)N 83906895 486848751 /nfs/dbraw/zinc/84/87/51/486848751.db2.gz UXPOJANFOQIDEY-ZETCQYMHSA-N 0 3 172.272 0.884 20 0 ACADHN CC1(C)CCN(C(=O)CNC2CC2)C1 83928731 486848893 /nfs/dbraw/zinc/84/88/93/486848893.db2.gz HMWOYJZBFCRZNM-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CNCC(=O)NC(C)(C)C(C)C 83906919 486848925 /nfs/dbraw/zinc/84/89/25/486848925.db2.gz LPOJKCAZLJZNNL-UHFFFAOYSA-N 0 3 172.272 0.757 20 0 ACADHN Cc1cc(CNC(=O)C(C)(C)N)[nH]n1 83904813 486848940 /nfs/dbraw/zinc/84/89/40/486848940.db2.gz MRGOYHAWXMSCOO-UHFFFAOYSA-N 0 3 196.254 0.072 20 0 ACADHN C[C@H](CNC(=O)CN)C1CC1 83908229 486849050 /nfs/dbraw/zinc/84/90/50/486849050.db2.gz WSYSJPSHELOGSI-ZCFIWIBFSA-N 0 3 156.229 0.107 20 0 ACADHN C[C@H](CNC(=O)CN)c1ccncc1 83934384 486849110 /nfs/dbraw/zinc/84/91/10/486849110.db2.gz CYGKKKYHJHRAKJ-MRVPVSSYSA-N 0 3 193.250 0.260 20 0 ACADHN C[C@@H](CNC(=O)CN)c1ccccn1 83934352 486849119 /nfs/dbraw/zinc/84/91/19/486849119.db2.gz YPEMGFLCYFSGNY-QMMMGPOBSA-N 0 3 193.250 0.260 20 0 ACADHN C[C@@H](CNC(=O)CN)c1ccncc1 83934382 486849146 /nfs/dbraw/zinc/84/91/46/486849146.db2.gz CYGKKKYHJHRAKJ-QMMMGPOBSA-N 0 3 193.250 0.260 20 0 ACADHN CC(C)C(C)(C)NC(=O)[C@@H](C)N 83906894 486849091 /nfs/dbraw/zinc/84/90/91/486849091.db2.gz UXPOJANFOQIDEY-SSDOTTSWSA-N 0 3 172.272 0.884 20 0 ACADHN C[C@@H](CNC(=O)C(C)(C)N)C1CC1 83908231 486849193 /nfs/dbraw/zinc/84/91/93/486849193.db2.gz UWISYNPQTBAFGN-ZETCQYMHSA-N 0 3 184.283 0.886 20 0 ACADHN C[C@@H](CNC(=O)CN)C1CC1 83908227 486849231 /nfs/dbraw/zinc/84/92/31/486849231.db2.gz WSYSJPSHELOGSI-LURJTMIESA-N 0 3 156.229 0.107 20 0 ACADHN Cc1noc(C)c1CNC(=O)[C@@H](C)N 83903136 486849249 /nfs/dbraw/zinc/84/92/49/486849249.db2.gz KOVCYTRBSYUGGV-RXMQYKEDSA-N 0 3 197.238 0.255 20 0 ACADHN CN(CCc1nccs1)C(=O)CN 83930750 486849258 /nfs/dbraw/zinc/84/92/58/486849258.db2.gz UWDZTEKZXZKHTG-UHFFFAOYSA-N 0 3 199.279 0.103 20 0 ACADHN CNCC(=O)N(C)Cc1nccs1 83930297 486849354 /nfs/dbraw/zinc/84/93/54/486849354.db2.gz YJCLSPRDRVKSCL-UHFFFAOYSA-N 0 3 199.279 0.321 20 0 ACADHN CCCCN(C)CCN1CCNC1=O 675799584 486849488 /nfs/dbraw/zinc/84/94/88/486849488.db2.gz MSDRTDVJQGFKFL-UHFFFAOYSA-N 0 3 199.298 0.744 20 0 ACADHN C[C@H](NCc1ncnn1C)C1CC1 83970599 486849800 /nfs/dbraw/zinc/84/98/00/486849800.db2.gz PEBIPBRLLUFMCL-ZETCQYMHSA-N 0 3 180.255 0.703 20 0 ACADHN NCC(=O)NCC[C@H]1CCCCO1 83956378 486849958 /nfs/dbraw/zinc/84/99/58/486849958.db2.gz FTTBKEYOMYAGKE-MRVPVSSYSA-N 0 3 186.255 0.021 20 0 ACADHN Cn1ncnc1CNCC1CCC1 83970532 486850050 /nfs/dbraw/zinc/85/00/50/486850050.db2.gz UQOMBKGHUNSASW-UHFFFAOYSA-N 0 3 180.255 0.705 20 0 ACADHN C[C@@H](NCc1ncnn1C)C1CC1 83970601 486850224 /nfs/dbraw/zinc/85/02/24/486850224.db2.gz PEBIPBRLLUFMCL-SSDOTTSWSA-N 0 3 180.255 0.703 20 0 ACADHN NCC(=O)NCC[C@@H]1CCCCO1 83956376 486850387 /nfs/dbraw/zinc/85/03/87/486850387.db2.gz FTTBKEYOMYAGKE-QMMMGPOBSA-N 0 3 186.255 0.021 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H]1CC=CCC1 84067351 486852187 /nfs/dbraw/zinc/85/21/87/486852187.db2.gz UCFGAHSPWJBBCY-RKDXNWHRSA-N 0 3 182.267 0.949 20 0 ACADHN NC1(C(=O)N[C@@H]2CC=CCC2)CC1 84067069 486852227 /nfs/dbraw/zinc/85/22/27/486852227.db2.gz OYMHRGLSNOVSRW-MRVPVSSYSA-N 0 3 180.251 0.703 20 0 ACADHN C[C@@H](N)C(=O)N[C@H]1CC=CCC1 84067306 486852263 /nfs/dbraw/zinc/85/22/63/486852263.db2.gz YDRSGLIIAQFWJR-SFYZADRCSA-N 0 3 168.240 0.559 20 0 ACADHN O=C(CNC1CC1)N[C@@H]1CC=CCC1 84067328 486852425 /nfs/dbraw/zinc/85/24/25/486852425.db2.gz KEZNUZPHTQQEIP-SNVBAGLBSA-N 0 3 194.278 0.963 20 0 ACADHN C[C@H](N)C(=O)N[C@H]1CC=CCC1 84067153 486852464 /nfs/dbraw/zinc/85/24/64/486852464.db2.gz YDRSGLIIAQFWJR-YUMQZZPRSA-N 0 3 168.240 0.559 20 0 ACADHN NC1(C(=O)N[C@H]2CC=CCC2)CC1 84067070 486852489 /nfs/dbraw/zinc/85/24/89/486852489.db2.gz OYMHRGLSNOVSRW-QMMMGPOBSA-N 0 3 180.251 0.703 20 0 ACADHN CNCC(=O)N[C@@H]1CC=CCC1 84067365 486852509 /nfs/dbraw/zinc/85/25/09/486852509.db2.gz JCFYFFYOZPAYME-MRVPVSSYSA-N 0 3 168.240 0.431 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H]1CC=CCC1 84067350 486852528 /nfs/dbraw/zinc/85/25/28/486852528.db2.gz UCFGAHSPWJBBCY-BDAKNGLRSA-N 0 3 182.267 0.949 20 0 ACADHN CN[C@@H](C)C(=O)N[C@@H]1CC=CCC1 84067387 486852538 /nfs/dbraw/zinc/85/25/38/486852538.db2.gz AUSHSGHBDORDNE-DTWKUNHWSA-N 0 3 182.267 0.819 20 0 ACADHN CNCC(=O)N[C@H]1CC=CCC1 84067364 486852566 /nfs/dbraw/zinc/85/25/66/486852566.db2.gz JCFYFFYOZPAYME-QMMMGPOBSA-N 0 3 168.240 0.431 20 0 ACADHN CC[C@@H](N)C(=O)N[C@H]1CC=CCC1 84067349 486852584 /nfs/dbraw/zinc/85/25/84/486852584.db2.gz UCFGAHSPWJBBCY-DTWKUNHWSA-N 0 3 182.267 0.949 20 0 ACADHN CC[C@H](N)C(=O)N[C@H]1CC=CCC1 84067348 486852652 /nfs/dbraw/zinc/85/26/52/486852652.db2.gz UCFGAHSPWJBBCY-IUCAKERBSA-N 0 3 182.267 0.949 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1CC=CCC1 84067154 486852684 /nfs/dbraw/zinc/85/26/84/486852684.db2.gz YDRSGLIIAQFWJR-JGVFFNPUSA-N 0 3 168.240 0.559 20 0 ACADHN NCC(=O)N[C@H]1CC=CCC1 84067228 486852732 /nfs/dbraw/zinc/85/27/32/486852732.db2.gz ZERVLCMDSJWENK-ZETCQYMHSA-N 0 3 154.213 0.170 20 0 ACADHN O=C(CNC1CC1)N[C@H]1CC=CCC1 84067329 486852789 /nfs/dbraw/zinc/85/27/89/486852789.db2.gz KEZNUZPHTQQEIP-JTQLQIEISA-N 0 3 194.278 0.963 20 0 ACADHN CN[C@@H](C)C(=O)N[C@H]1CC=CCC1 84067385 486852824 /nfs/dbraw/zinc/85/28/24/486852824.db2.gz AUSHSGHBDORDNE-IUCAKERBSA-N 0 3 182.267 0.819 20 0 ACADHN NCC(=O)N[C@@H]1CC=CCC1 84067227 486852838 /nfs/dbraw/zinc/85/28/38/486852838.db2.gz ZERVLCMDSJWENK-SSDOTTSWSA-N 0 3 154.213 0.170 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1CC=CCC1 84067307 486852873 /nfs/dbraw/zinc/85/28/73/486852873.db2.gz YDRSGLIIAQFWJR-HTQZYQBOSA-N 0 3 168.240 0.559 20 0 ACADHN CCCCN(C)[C@H]1CCCNC1=O 675947013 486853042 /nfs/dbraw/zinc/85/30/42/486853042.db2.gz DEBQIXRBLGBMFF-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CCCN(C)CCN1CCNC1=O 675943969 486853049 /nfs/dbraw/zinc/85/30/49/486853049.db2.gz ZPIFDGOMCQGYIN-UHFFFAOYSA-N 0 3 185.271 0.353 20 0 ACADHN CC(C)[C@@H](N)C(=O)NCc1c[nH]cn1 84081073 486853384 /nfs/dbraw/zinc/85/33/84/486853384.db2.gz MGBJXTMCODKXRN-MRVPVSSYSA-N 0 3 196.254 0.009 20 0 ACADHN CCCCN(C)[C@@H]1CCCNC1=O 675947006 486853327 /nfs/dbraw/zinc/85/33/27/486853327.db2.gz DEBQIXRBLGBMFF-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CC(C)[C@H](N)C(=O)NCc1c[nH]cn1 84081114 486853443 /nfs/dbraw/zinc/85/34/43/486853443.db2.gz MGBJXTMCODKXRN-QMMMGPOBSA-N 0 3 196.254 0.009 20 0 ACADHN CC(C)NCC(=O)NCc1c[nH]cn1 84081140 486853897 /nfs/dbraw/zinc/85/38/97/486853897.db2.gz VOQJWLYNDNJBSH-UHFFFAOYSA-N 0 3 196.254 0.024 20 0 ACADHN Cc1ncsc1CNCCC(N)=O 84149238 486854020 /nfs/dbraw/zinc/85/40/20/486854020.db2.gz QTIKFPBLSLMPCA-UHFFFAOYSA-N 0 3 199.279 0.417 20 0 ACADHN CC[C@H](N)C(=O)Nc1nncs1 84199909 486854943 /nfs/dbraw/zinc/85/49/43/486854943.db2.gz OCJAFTGOOCFXEQ-BYPYZUCNSA-N 0 3 186.240 0.214 20 0 ACADHN CC[C@@H](N)C(=O)Nc1nncs1 84199902 486854971 /nfs/dbraw/zinc/85/49/71/486854971.db2.gz OCJAFTGOOCFXEQ-SCSAIBSYSA-N 0 3 186.240 0.214 20 0 ACADHN CC[C@@H](N)C(=O)Nc1ccncc1 84199844 486855294 /nfs/dbraw/zinc/85/52/94/486855294.db2.gz QPRHAYXEQIJXPA-MRVPVSSYSA-N 0 3 179.223 0.757 20 0 ACADHN CN(CCN1CCNC1=O)C1CCC1 676192240 486857118 /nfs/dbraw/zinc/85/71/18/486857118.db2.gz ZJAPCRPNMULUJG-UHFFFAOYSA-N 0 3 197.282 0.496 20 0 ACADHN Cc1cc(CNC[C@@H](C)O)n(C)n1 84243906 486857304 /nfs/dbraw/zinc/85/73/04/486857304.db2.gz YEYOOONZZLLQNK-MRVPVSSYSA-N 0 3 183.255 0.199 20 0 ACADHN Cc1cc(CNC[C@H](C)O)n(C)n1 84243907 486857318 /nfs/dbraw/zinc/85/73/18/486857318.db2.gz YEYOOONZZLLQNK-QMMMGPOBSA-N 0 3 183.255 0.199 20 0 ACADHN CCCCN(C)[C@H]1CCNC1=O 676241782 486859426 /nfs/dbraw/zinc/85/94/26/486859426.db2.gz UUIKPOXOOFDKFK-QMMMGPOBSA-N 0 3 170.256 0.607 20 0 ACADHN CCCN1CCN([C@H]2CCOC2)CC1 676317766 486859496 /nfs/dbraw/zinc/85/94/96/486859496.db2.gz MKZBIPADHMGOOJ-NSHDSACASA-N 0 3 198.310 0.803 20 0 ACADHN CCCN1CCN([C@@H]2CCOC2)CC1 676317765 486859608 /nfs/dbraw/zinc/85/96/08/486859608.db2.gz MKZBIPADHMGOOJ-LLVKDONJSA-N 0 3 198.310 0.803 20 0 ACADHN CCCCN(C)[C@@H]1CCNC1=O 676241781 486859757 /nfs/dbraw/zinc/85/97/57/486859757.db2.gz UUIKPOXOOFDKFK-MRVPVSSYSA-N 0 3 170.256 0.607 20 0 ACADHN CC(=O)CN1CCC[C@@H](N(C)C)C1 84420209 486860868 /nfs/dbraw/zinc/86/08/68/486860868.db2.gz WTFPQLCTWAQDQW-SNVBAGLBSA-N 0 3 184.283 0.601 20 0 ACADHN CC(=O)CN1CCC[C@H](N(C)C)C1 84420207 486861625 /nfs/dbraw/zinc/86/16/25/486861625.db2.gz WTFPQLCTWAQDQW-JTQLQIEISA-N 0 3 184.283 0.601 20 0 ACADHN CN1CCCN(Cc2cn[nH]c2)CC1 676413171 486861884 /nfs/dbraw/zinc/86/18/84/486861884.db2.gz OFMDULTWLVKVTQ-UHFFFAOYSA-N 0 3 194.282 0.547 20 0 ACADHN CN1CCN(CC2=CCCOC2)CC1 676412602 486861940 /nfs/dbraw/zinc/86/19/40/486861940.db2.gz RRYHVIJKSMWOGQ-UHFFFAOYSA-N 0 3 196.294 0.581 20 0 ACADHN CC(C)n1cncc1CN[C@H](C)CO 85187857 486865042 /nfs/dbraw/zinc/86/50/42/486865042.db2.gz IUEKSEKFZGRRBB-SECBINFHSA-N 0 3 197.282 0.934 20 0 ACADHN CCCc1nsc([N-]C2C[NH2+]C2)n1 85256671 486865203 /nfs/dbraw/zinc/86/52/03/486865203.db2.gz VXRBJPGZRSWBHT-UHFFFAOYSA-N 0 3 198.295 0.874 20 0 ACADHN CCn1cncc1CNCC[C@H](C)O 85184130 486865375 /nfs/dbraw/zinc/86/53/75/486865375.db2.gz JVWMZKVYVJRGNJ-VIFPVBQESA-N 0 3 197.282 0.764 20 0 ACADHN CC(C)n1cncc1CNCCCO 85187763 486865475 /nfs/dbraw/zinc/86/54/75/486865475.db2.gz WGKRTOMNUCHVLZ-UHFFFAOYSA-N 0 3 197.282 0.936 20 0 ACADHN CC(C)n1cncc1CNC[C@@H](C)O 85187844 486865614 /nfs/dbraw/zinc/86/56/14/486865614.db2.gz MMOOSNXFEXFETO-SECBINFHSA-N 0 3 197.282 0.934 20 0 ACADHN CC(C)n1cncc1CN[C@@H](C)CO 85187855 486865686 /nfs/dbraw/zinc/86/56/86/486865686.db2.gz IUEKSEKFZGRRBB-VIFPVBQESA-N 0 3 197.282 0.934 20 0 ACADHN CN(C)CCN(C)c1ncc(F)cn1 676565333 486865743 /nfs/dbraw/zinc/86/57/43/486865743.db2.gz ZPNTYVNAFWLBKC-UHFFFAOYSA-N 0 3 198.245 0.614 20 0 ACADHN CC(C)n1cncc1CNC[C@H](C)O 85187846 486865951 /nfs/dbraw/zinc/86/59/51/486865951.db2.gz MMOOSNXFEXFETO-VIFPVBQESA-N 0 3 197.282 0.934 20 0 ACADHN CC(C)n1cncc1CNCCO 85187797 486865969 /nfs/dbraw/zinc/86/59/69/486865969.db2.gz MMAQKHWOOADEAT-UHFFFAOYSA-N 0 3 183.255 0.546 20 0 ACADHN O=C1CCC(=O)N1CCN1CCCC1 676703538 486866739 /nfs/dbraw/zinc/86/67/39/486866739.db2.gz QHXBKACRFAHPEQ-UHFFFAOYSA-N 0 3 196.250 0.231 20 0 ACADHN CNC(=O)CN(CC1CC1)CC1CC1 676701966 486866850 /nfs/dbraw/zinc/86/68/50/486866850.db2.gz NJGQTCSSAOPDGT-UHFFFAOYSA-N 0 3 196.294 0.854 20 0 ACADHN COCCN1CCCOC[C@@H]1C 676714095 486867309 /nfs/dbraw/zinc/86/73/09/486867309.db2.gz SWDKJFPGBOVVHO-VIFPVBQESA-N 0 3 173.256 0.744 20 0 ACADHN COCCN1CCCOC[C@H]1C 676714091 486868314 /nfs/dbraw/zinc/86/83/14/486868314.db2.gz SWDKJFPGBOVVHO-SECBINFHSA-N 0 3 173.256 0.744 20 0 ACADHN CN(CCC1CC1)[C@H]1CCCNC1=O 676716159 486869003 /nfs/dbraw/zinc/86/90/03/486869003.db2.gz LAMSLPSUZAXTBQ-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN CN(CCC1CC1)[C@@H]1CCCNC1=O 676716160 486869135 /nfs/dbraw/zinc/86/91/35/486869135.db2.gz LAMSLPSUZAXTBQ-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CN(CCC1CC1)CC(=O)N1CCC1 676716261 486869660 /nfs/dbraw/zinc/86/96/60/486869660.db2.gz YYEAMBLCCSYOLI-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN COC[C@H](C)N1CCc2cn[nH]c2C1 676797053 486870019 /nfs/dbraw/zinc/87/00/19/486870019.db2.gz OHRJQWCHWFZZSD-QMMMGPOBSA-N 0 3 195.266 0.803 20 0 ACADHN COCCCN1CCc2c[nH]nc2C1 676794673 486870065 /nfs/dbraw/zinc/87/00/65/486870065.db2.gz YVICWXNHXBPTPA-UHFFFAOYSA-N 0 3 195.266 0.804 20 0 ACADHN CC[C@H](O)CN1CCc2cn[nH]c2C1 676795382 486870424 /nfs/dbraw/zinc/87/04/24/486870424.db2.gz JFIGZTNBVJPSAY-VIFPVBQESA-N 0 3 195.266 0.539 20 0 ACADHN CN[C@@H](C)C(=O)Nc1cccnc1C 85727889 486870436 /nfs/dbraw/zinc/87/04/36/486870436.db2.gz IKSPMZAHAZQEBK-QMMMGPOBSA-N 0 3 193.250 0.936 20 0 ACADHN COC[C@@H](C)N1CCc2cn[nH]c2C1 676797052 486870598 /nfs/dbraw/zinc/87/05/98/486870598.db2.gz OHRJQWCHWFZZSD-MRVPVSSYSA-N 0 3 195.266 0.803 20 0 ACADHN OCCCCN1CCc2cn[nH]c2C1 676797764 486870730 /nfs/dbraw/zinc/87/07/30/486870730.db2.gz NBIVKEUPTZDTCO-UHFFFAOYSA-N 0 3 195.266 0.540 20 0 ACADHN CC[C@@H](O)CN1CCc2cn[nH]c2C1 676792472 486870763 /nfs/dbraw/zinc/87/07/63/486870763.db2.gz JFIGZTNBVJPSAY-SECBINFHSA-N 0 3 195.266 0.539 20 0 ACADHN CCN(C)C(=O)N1CCNCC1(C)C 85970108 486871033 /nfs/dbraw/zinc/87/10/33/486871033.db2.gz VMROZENQOGZDAY-UHFFFAOYSA-N 0 3 199.298 0.742 20 0 ACADHN C[C@H](N)C(=O)N1C[C@@H](C)[C@H](C)C1 86013874 486871232 /nfs/dbraw/zinc/87/12/32/486871232.db2.gz JBBMLZYOAGZNQJ-PRJMDXOYSA-N 0 3 170.256 0.448 20 0 ACADHN C[C@H](N)C(=O)N1C[C@H](C)[C@@H](C)C1 86013871 486871265 /nfs/dbraw/zinc/87/12/65/486871265.db2.gz JBBMLZYOAGZNQJ-FXQIFTODSA-N 0 3 170.256 0.448 20 0 ACADHN CC[C@@H](N)C(=O)N1C[C@@H](C)[C@@H](C)C1 86013716 486871382 /nfs/dbraw/zinc/87/13/82/486871382.db2.gz KQZKBBYROWPQTF-HRDYMLBCSA-N 0 3 184.283 0.838 20 0 ACADHN CC[C@@H](N)C(=O)N1C[C@H](C)[C@@H](C)C1 86013724 486871487 /nfs/dbraw/zinc/87/14/87/486871487.db2.gz KQZKBBYROWPQTF-XHNCKOQMSA-N 0 3 184.283 0.838 20 0 ACADHN C[C@@H]1CN(C(=O)[C@@H](C)N)C[C@@H]1C 86013986 486871556 /nfs/dbraw/zinc/87/15/56/486871556.db2.gz JBBMLZYOAGZNQJ-GJMOJQLCSA-N 0 3 170.256 0.448 20 0 ACADHN CC[C@@H](N)C(=O)N1C[C@@H](C)[C@H](C)C1 86013721 486871581 /nfs/dbraw/zinc/87/15/81/486871581.db2.gz KQZKBBYROWPQTF-IWSPIJDZSA-N 0 3 184.283 0.838 20 0 ACADHN C[C@H](N)C(=O)N1C[C@@H](C)[C@@H](C)C1 86013868 486871632 /nfs/dbraw/zinc/87/16/32/486871632.db2.gz JBBMLZYOAGZNQJ-RNJXMRFFSA-N 0 3 170.256 0.448 20 0 ACADHN CN(C)CCNC(=O)[C@@H]1[C@H]2CCC[C@H]21 676866674 486871672 /nfs/dbraw/zinc/87/16/72/486871672.db2.gz PBIIWDGADCMOMX-MYJAWHEDSA-N 0 3 196.294 0.710 20 0 ACADHN C[C@@H](N)C(=O)N1C[C@H](C)[C@@H](C)C1 86013989 486871687 /nfs/dbraw/zinc/87/16/87/486871687.db2.gz JBBMLZYOAGZNQJ-BIIVOSGPSA-N 0 3 170.256 0.448 20 0 ACADHN C[C@@H]1CN(C(=O)[C@@H](C)N)C[C@H]1C 86013993 486871748 /nfs/dbraw/zinc/87/17/48/486871748.db2.gz JBBMLZYOAGZNQJ-BWZBUEFSSA-N 0 3 170.256 0.448 20 0 ACADHN C[C@@H]1CN(C(=O)CNC2CC2)C[C@@H]1C 86014329 486872172 /nfs/dbraw/zinc/87/21/72/486872172.db2.gz NTDOCDCRDSDWKF-DTORHVGOSA-N 0 3 196.294 0.853 20 0 ACADHN CC[C@H](N)C(=O)N1C[C@@H](C)[C@@H](C)C1 86014031 486872328 /nfs/dbraw/zinc/87/23/28/486872328.db2.gz KQZKBBYROWPQTF-YIZRAAEISA-N 0 3 184.283 0.838 20 0 ACADHN C[C@@H]1CN(C(=O)CNC2CC2)C[C@H]1C 86014335 486872724 /nfs/dbraw/zinc/87/27/24/486872724.db2.gz NTDOCDCRDSDWKF-RKDXNWHRSA-N 0 3 196.294 0.853 20 0 ACADHN CC[C@H](N)C(=O)N1C[C@H](C)[C@@H](C)C1 86014038 486872774 /nfs/dbraw/zinc/87/27/74/486872774.db2.gz KQZKBBYROWPQTF-CIUDSAMLSA-N 0 3 184.283 0.838 20 0 ACADHN CC[C@H](N)C(=O)N1C[C@@H](C)[C@H](C)C1 86014035 486872805 /nfs/dbraw/zinc/87/28/05/486872805.db2.gz KQZKBBYROWPQTF-HLTSFMKQSA-N 0 3 184.283 0.838 20 0 ACADHN C[C@H]1CN(C(=O)CNC2CC2)C[C@@H]1C 86014332 486872798 /nfs/dbraw/zinc/87/27/98/486872798.db2.gz NTDOCDCRDSDWKF-IUCAKERBSA-N 0 3 196.294 0.853 20 0 ACADHN CCCN(C)C(=O)CNCCOC 86157927 486874234 /nfs/dbraw/zinc/87/42/34/486874234.db2.gz LLDWTMRZPNITGN-UHFFFAOYSA-N 0 3 188.271 0.091 20 0 ACADHN CC(=O)CN(C)C[C@@H]1CCCN1C 86189198 486874682 /nfs/dbraw/zinc/87/46/82/486874682.db2.gz SGJXJUZAPYTCDD-JTQLQIEISA-N 0 3 184.283 0.601 20 0 ACADHN CC(=O)CN(C)C[C@H]1CCCN1C 86189201 486874747 /nfs/dbraw/zinc/87/47/47/486874747.db2.gz SGJXJUZAPYTCDD-SNVBAGLBSA-N 0 3 184.283 0.601 20 0 ACADHN Cc1noc(C)c1[C@@H](C)NC(=O)CN 86110024 486874793 /nfs/dbraw/zinc/87/47/93/486874793.db2.gz YFLYTISZNLXJCA-RXMQYKEDSA-N 0 3 197.238 0.427 20 0 ACADHN Cc1noc(C)c1[C@H](C)NC(=O)CN 86110026 486874892 /nfs/dbraw/zinc/87/48/92/486874892.db2.gz YFLYTISZNLXJCA-YFKPBYRVSA-N 0 3 197.238 0.427 20 0 ACADHN CN(CCO)CCc1nccs1 677063405 486878240 /nfs/dbraw/zinc/87/82/40/486878240.db2.gz ZAQRABUCXUCMDF-UHFFFAOYSA-N 0 3 186.280 0.610 20 0 ACADHN CCN1CCN(CCOC)C[C@@H]1C 677196719 486880419 /nfs/dbraw/zinc/88/04/19/486880419.db2.gz VFTVDDSCDCFQEU-JTQLQIEISA-N 0 3 186.299 0.659 20 0 ACADHN CCN1CCN(CCOC)C[C@H]1C 677196749 486880597 /nfs/dbraw/zinc/88/05/97/486880597.db2.gz VFTVDDSCDCFQEU-SNVBAGLBSA-N 0 3 186.299 0.659 20 0 ACADHN CC[C@@H](C)CN(CC)C(=O)CN 86439508 486881317 /nfs/dbraw/zinc/88/13/17/486881317.db2.gz OYNCNKIBVUITMM-MRVPVSSYSA-N 0 3 172.272 0.840 20 0 ACADHN Cc1cccc(NC(=O)[C@H](C)N)c1O 86555912 486881403 /nfs/dbraw/zinc/88/14/03/486881403.db2.gz BAIGEJDDXKHCQC-ZETCQYMHSA-N 0 3 194.234 0.986 20 0 ACADHN Cc1cccc(NC(=O)[C@@H](C)N)c1O 86555788 486881691 /nfs/dbraw/zinc/88/16/91/486881691.db2.gz BAIGEJDDXKHCQC-SSDOTTSWSA-N 0 3 194.234 0.986 20 0 ACADHN CC[C@H](C)CN(CC)C(=O)CN 86439510 486882172 /nfs/dbraw/zinc/88/21/72/486882172.db2.gz OYNCNKIBVUITMM-QMMMGPOBSA-N 0 3 172.272 0.840 20 0 ACADHN CNCC(=O)Nc1cccc(C)c1O 86555914 486883220 /nfs/dbraw/zinc/88/32/20/486883220.db2.gz RJMQARYFIVYBSG-UHFFFAOYSA-N 0 3 194.234 0.859 20 0 ACADHN Cc1noc(C)c1CCN(C)CCO 677374735 486885230 /nfs/dbraw/zinc/88/52/30/486885230.db2.gz BPWOMFMJHKEVOG-UHFFFAOYSA-N 0 3 198.266 0.758 20 0 ACADHN CC1=CCN(CCOCCO)CC1 677379991 486885582 /nfs/dbraw/zinc/88/55/82/486885582.db2.gz PJGXHYUIDSWBRI-UHFFFAOYSA-N 0 3 185.267 0.647 20 0 ACADHN CC1=CCN(CC2(CO)COC2)CC1 677380346 486886025 /nfs/dbraw/zinc/88/60/25/486886025.db2.gz YMZUAACNCJMPGF-UHFFFAOYSA-N 0 3 197.278 0.647 20 0 ACADHN Cn1ccnc1[C@@H]1CCN(CCO)C1 677476395 486886751 /nfs/dbraw/zinc/88/67/51/486886751.db2.gz WZYUYYDWXGOUHJ-SECBINFHSA-N 0 3 195.266 0.202 20 0 ACADHN Cn1ccnc1[C@H]1CCN(CCO)C1 677476397 486886972 /nfs/dbraw/zinc/88/69/72/486886972.db2.gz WZYUYYDWXGOUHJ-VIFPVBQESA-N 0 3 195.266 0.202 20 0 ACADHN C[C@H](CNC(=O)c1cnco1)N(C)C 677513536 486888453 /nfs/dbraw/zinc/88/84/53/486888453.db2.gz CIYUMZYNSRZCSM-SSDOTTSWSA-N 0 3 197.238 0.355 20 0 ACADHN Cc1cnc(N(C)CCN(C)C)nc1 677509448 486888481 /nfs/dbraw/zinc/88/84/81/486888481.db2.gz YZXBCDAQEHUOEX-UHFFFAOYSA-N 0 3 194.282 0.783 20 0 ACADHN CN(C)CCN(C)C(=O)c1cnco1 677560179 486889013 /nfs/dbraw/zinc/88/90/13/486889013.db2.gz IUNKZKGQDGNRTJ-UHFFFAOYSA-N 0 3 197.238 0.308 20 0 ACADHN CN(C)CCN(C)Cc1cc[nH]n1 677684316 486892484 /nfs/dbraw/zinc/89/24/84/486892484.db2.gz CUCIUWWZHWSEBN-UHFFFAOYSA-N 0 3 182.271 0.403 20 0 ACADHN CCCN1CCNC(=O)C[C@@H]1C 677715621 486893758 /nfs/dbraw/zinc/89/37/58/486893758.db2.gz WLQSYQGKHCJCAJ-QMMMGPOBSA-N 0 3 170.256 0.607 20 0 ACADHN CC[C@@H](N)C(=O)N[C@H](C)CCCO 87360060 486894226 /nfs/dbraw/zinc/89/42/26/486894226.db2.gz UQKUYAVTZFQNIE-HTQZYQBOSA-N 0 3 188.271 0.001 20 0 ACADHN C[C@@H]1CC(=O)NCCN1CC1CC1 677714433 486894265 /nfs/dbraw/zinc/89/42/65/486894265.db2.gz BGKQDEHTSZEOGJ-MRVPVSSYSA-N 0 3 182.267 0.607 20 0 ACADHN C[C@@H]1CC(=O)NCCN1CCC1CC1 677715325 486894313 /nfs/dbraw/zinc/89/43/13/486894313.db2.gz PUEAYVAIPUNNMK-SECBINFHSA-N 0 3 196.294 0.997 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H](C)CCCO 87360057 486894328 /nfs/dbraw/zinc/89/43/28/486894328.db2.gz UQKUYAVTZFQNIE-YUMQZZPRSA-N 0 3 188.271 0.001 20 0 ACADHN CN(C)C(=O)CN1CCC2(CC1)CC2 677717225 486894331 /nfs/dbraw/zinc/89/43/31/486894331.db2.gz GWABTVHLMALPFO-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN C[C@H]1CC(=O)NCCN1CC1CC1 677714436 486894344 /nfs/dbraw/zinc/89/43/44/486894344.db2.gz BGKQDEHTSZEOGJ-QMMMGPOBSA-N 0 3 182.267 0.607 20 0 ACADHN Cc1n[nH]cc1CN[C@H](C)CCCO 87358772 486894374 /nfs/dbraw/zinc/89/43/74/486894374.db2.gz LEBHRYBDVKCKEH-MRVPVSSYSA-N 0 3 197.282 0.969 20 0 ACADHN C[C@H](CCCO)NCc1ccnn1C 87358770 486894506 /nfs/dbraw/zinc/89/45/06/486894506.db2.gz ZAKNFALUUJMOJL-SECBINFHSA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@H](N)C(=O)N[C@H](C)CCCO 87360059 486894557 /nfs/dbraw/zinc/89/45/57/486894557.db2.gz UQKUYAVTZFQNIE-SFYZADRCSA-N 0 3 188.271 0.001 20 0 ACADHN Cc1n[nH]cc1CN[C@@H](C)CCCO 87358771 486894569 /nfs/dbraw/zinc/89/45/69/486894569.db2.gz LEBHRYBDVKCKEH-QMMMGPOBSA-N 0 3 197.282 0.969 20 0 ACADHN CCCN1CCNC(=O)C[C@H]1C 677715620 486894584 /nfs/dbraw/zinc/89/45/84/486894584.db2.gz WLQSYQGKHCJCAJ-MRVPVSSYSA-N 0 3 170.256 0.607 20 0 ACADHN C[C@H]1CC(=O)NCCN1CCC1CC1 677715327 486894596 /nfs/dbraw/zinc/89/45/96/486894596.db2.gz PUEAYVAIPUNNMK-VIFPVBQESA-N 0 3 196.294 0.997 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H](C)CCCO 87360058 486894746 /nfs/dbraw/zinc/89/47/46/486894746.db2.gz UQKUYAVTZFQNIE-JGVFFNPUSA-N 0 3 188.271 0.001 20 0 ACADHN COCC1(N(C)CCCO)CC1 677727597 486894887 /nfs/dbraw/zinc/89/48/87/486894887.db2.gz CPQNZNLGAZOMDE-UHFFFAOYSA-N 0 3 173.256 0.480 20 0 ACADHN O[C@H](CN[C@@H]1CCOC1)C(F)(F)F 87415992 486895209 /nfs/dbraw/zinc/89/52/09/486895209.db2.gz JNXRQNOBOHMWDZ-PHDIDXHHSA-N 0 3 199.172 0.288 20 0 ACADHN COCCN(C)C1(COC)CC1 677728137 486895241 /nfs/dbraw/zinc/89/52/41/486895241.db2.gz QACJSZRYYDJRGP-UHFFFAOYSA-N 0 3 173.256 0.744 20 0 ACADHN CCn1cc(CN[C@@H]2CCOC2)cn1 87416151 486895371 /nfs/dbraw/zinc/89/53/71/486895371.db2.gz LAYQPRMPXPGUQC-SNVBAGLBSA-N 0 3 195.266 0.782 20 0 ACADHN C[C@H]1C[C@@H](O)CN1CCOCC1CC1 677728566 486895656 /nfs/dbraw/zinc/89/56/56/486895656.db2.gz JNOAOLHFRYYABZ-GXSJLCMTSA-N 0 3 199.294 0.868 20 0 ACADHN CC[C@]1(C)COCCN1CCCO 677729046 486895811 /nfs/dbraw/zinc/89/58/11/486895811.db2.gz UJRUHNZTHKDQKX-SNVBAGLBSA-N 0 3 187.283 0.870 20 0 ACADHN C[C@@H]1C[C@H](O)CN1CCOCC1CC1 677728567 486896004 /nfs/dbraw/zinc/89/60/04/486896004.db2.gz JNOAOLHFRYYABZ-KOLCDFICSA-N 0 3 199.294 0.868 20 0 ACADHN CC[C@@]1(C)COCCN1CCCO 677729045 486896041 /nfs/dbraw/zinc/89/60/41/486896041.db2.gz UJRUHNZTHKDQKX-JTQLQIEISA-N 0 3 187.283 0.870 20 0 ACADHN C[C@@H]1C[C@@H](O)CN1CCOCC1CC1 677728568 486896294 /nfs/dbraw/zinc/89/62/94/486896294.db2.gz JNOAOLHFRYYABZ-MWLCHTKSSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@H]1C[C@H](O)CN1CCOCC1CC1 677728569 486896409 /nfs/dbraw/zinc/89/64/09/486896409.db2.gz JNOAOLHFRYYABZ-ONGXEEELSA-N 0 3 199.294 0.868 20 0 ACADHN CC[C@H](O)CN1CCOC[C@H]1C1CC1 677737408 486896890 /nfs/dbraw/zinc/89/68/90/486896890.db2.gz VXNJEEBQOXGXDS-QWRGUYRKSA-N 0 3 199.294 0.868 20 0 ACADHN CC[C@H](O)CN1CCOC[C@@H]1C1CC1 677737409 486897126 /nfs/dbraw/zinc/89/71/26/486897126.db2.gz VXNJEEBQOXGXDS-WDEREUQCSA-N 0 3 199.294 0.868 20 0 ACADHN OCCCCN1CCOC[C@@H]1C1CC1 677737442 486897289 /nfs/dbraw/zinc/89/72/89/486897289.db2.gz ZEFDLGOFLPGRDD-LLVKDONJSA-N 0 3 199.294 0.870 20 0 ACADHN CC[C@@H](O)CN1CCOC[C@@H]1C1CC1 677737406 486897433 /nfs/dbraw/zinc/89/74/33/486897433.db2.gz VXNJEEBQOXGXDS-GHMZBOCLSA-N 0 3 199.294 0.868 20 0 ACADHN CC[C@@H](O)CN1CCOC[C@H]1C1CC1 677737407 486897527 /nfs/dbraw/zinc/89/75/27/486897527.db2.gz VXNJEEBQOXGXDS-MNOVXSKESA-N 0 3 199.294 0.868 20 0 ACADHN OCCCCN1CCOC[C@H]1C1CC1 677737443 486897597 /nfs/dbraw/zinc/89/75/97/486897597.db2.gz ZEFDLGOFLPGRDD-NSHDSACASA-N 0 3 199.294 0.870 20 0 ACADHN Cc1cnc(CN(C)CCN(C)C)o1 677800723 486898349 /nfs/dbraw/zinc/89/83/49/486898349.db2.gz GXVIISGNGMSSBA-UHFFFAOYSA-N 0 3 197.282 0.976 20 0 ACADHN CC1CC(NC(=O)NCCN(C)C)C1 677805038 486899614 /nfs/dbraw/zinc/89/96/14/486899614.db2.gz QOUQOVOMFBVFSB-UHFFFAOYSA-N 0 3 199.298 0.646 20 0 ACADHN CN(C)CCNC(=O)NC1CC=CC1 677804712 486899454 /nfs/dbraw/zinc/89/94/54/486899454.db2.gz MXRYXRTVUNVRGP-UHFFFAOYSA-N 0 3 197.282 0.566 20 0 ACADHN CN(C)CCNC(=O)NCC1(C)CC1 677804067 486899491 /nfs/dbraw/zinc/89/94/91/486899491.db2.gz AFTOEPIGOBKSRC-UHFFFAOYSA-N 0 3 199.298 0.647 20 0 ACADHN CN(C)CCNC(=O)NCCC1CC1 677805143 486899508 /nfs/dbraw/zinc/89/95/08/486899508.db2.gz USCFWUVKNGHFTC-UHFFFAOYSA-N 0 3 199.298 0.647 20 0 ACADHN CNCC(=O)NC[C@H]1CCCS1 87668638 486900155 /nfs/dbraw/zinc/90/01/55/486900155.db2.gz SQVSPAYQUZBVOW-SSDOTTSWSA-N 0 3 188.296 0.218 20 0 ACADHN CNCC(=O)NC[C@@H]1CCCS1 87668637 486900168 /nfs/dbraw/zinc/90/01/68/486900168.db2.gz SQVSPAYQUZBVOW-ZETCQYMHSA-N 0 3 188.296 0.218 20 0 ACADHN Cn1cncc1CN[C@@H]1CCOC1 87783179 486901586 /nfs/dbraw/zinc/90/15/86/486901586.db2.gz JKRVCMVHLBMRCS-MRVPVSSYSA-N 0 3 181.239 0.299 20 0 ACADHN c1cc(CN[C@@H]2CCOC2)c[nH]1 87784135 486902363 /nfs/dbraw/zinc/90/23/63/486902363.db2.gz NLQAICZRLJYWLZ-SECBINFHSA-N 0 3 166.224 0.893 20 0 ACADHN O=C(N[C@H]1CCOC1)[C@@H]1CCCCN1 87785085 486902460 /nfs/dbraw/zinc/90/24/60/486902460.db2.gz NHUCIGSMUXWUCP-IUCAKERBSA-N 0 3 198.266 0.034 20 0 ACADHN O=C(N[C@@H]1CCOC1)[C@H]1CCCCN1 87785083 486902612 /nfs/dbraw/zinc/90/26/12/486902612.db2.gz NHUCIGSMUXWUCP-RKDXNWHRSA-N 0 3 198.266 0.034 20 0 ACADHN CCn1cncc1CN[C@@H]1CCOC1 87784566 486902738 /nfs/dbraw/zinc/90/27/38/486902738.db2.gz DKEGLZLUNRFILF-SECBINFHSA-N 0 3 195.266 0.782 20 0 ACADHN O=C(N[C@H]1CCOC1)[C@H]1CCCCN1 87785087 486902790 /nfs/dbraw/zinc/90/27/90/486902790.db2.gz NHUCIGSMUXWUCP-DTWKUNHWSA-N 0 3 198.266 0.034 20 0 ACADHN NC1(C(=O)N[C@H]2CCOC2)CCCC1 87785211 486902798 /nfs/dbraw/zinc/90/27/98/486902798.db2.gz ZRPRNACUJCIICB-QMMMGPOBSA-N 0 3 198.266 0.163 20 0 ACADHN NC1(C(=O)N[C@@H]2CCOC2)CCCC1 87785209 486902834 /nfs/dbraw/zinc/90/28/34/486902834.db2.gz ZRPRNACUJCIICB-MRVPVSSYSA-N 0 3 198.266 0.163 20 0 ACADHN O=C(N[C@@H]1CCOC1)[C@@H]1CCCCN1 87785081 486902908 /nfs/dbraw/zinc/90/29/08/486902908.db2.gz NHUCIGSMUXWUCP-BDAKNGLRSA-N 0 3 198.266 0.034 20 0 ACADHN CC(C)(N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 87790938 486903409 /nfs/dbraw/zinc/90/34/09/486903409.db2.gz PUBPJFFBVZMTIS-PRJMDXOYSA-N 0 3 198.266 0.160 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 87790868 486903522 /nfs/dbraw/zinc/90/35/22/486903522.db2.gz CCNPIDHKYOSHRO-BGZDPUMWSA-N 0 3 198.266 0.160 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 87790923 486904006 /nfs/dbraw/zinc/90/40/06/486904006.db2.gz CCNPIDHKYOSHRO-XAVMHZPKSA-N 0 3 198.266 0.160 20 0 ACADHN CCOCCN(C)C[C@H](O)C(C)C 87978912 486904801 /nfs/dbraw/zinc/90/48/01/486904801.db2.gz QXALBEYLVHLPGZ-JTQLQIEISA-N 0 3 189.299 0.972 20 0 ACADHN CCOCCN(C)CC(C)(C)CO 87979476 486904847 /nfs/dbraw/zinc/90/48/47/486904847.db2.gz KSFOZUXKOZBQRA-UHFFFAOYSA-N 0 3 189.299 0.973 20 0 ACADHN CCOCCN(C)C[C@@H](O)C(C)C 87978913 486904973 /nfs/dbraw/zinc/90/49/73/486904973.db2.gz QXALBEYLVHLPGZ-SNVBAGLBSA-N 0 3 189.299 0.972 20 0 ACADHN CCCN(CC)[C@H]1CCNC1=O 677887383 486905289 /nfs/dbraw/zinc/90/52/89/486905289.db2.gz IQSLPPRUDZWBLQ-QMMMGPOBSA-N 0 3 170.256 0.607 20 0 ACADHN CCCN(CC)[C@@H]1CCNC1=O 677887379 486905411 /nfs/dbraw/zinc/90/54/11/486905411.db2.gz IQSLPPRUDZWBLQ-MRVPVSSYSA-N 0 3 170.256 0.607 20 0 ACADHN CCCN(CC)[C@@H]1CCN(C)C1=O 677888872 486906248 /nfs/dbraw/zinc/90/62/48/486906248.db2.gz ZFAKLIQXCJFXFD-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CCN(CC1CC1)[C@H]1CCN(C)C1=O 677890260 486906418 /nfs/dbraw/zinc/90/64/18/486906418.db2.gz KDEIBDOWBCLVDN-JTQLQIEISA-N 0 3 196.294 0.949 20 0 ACADHN CCN(CC1CC1)[C@@H]1CCN(C)C1=O 677890261 486906471 /nfs/dbraw/zinc/90/64/71/486906471.db2.gz KDEIBDOWBCLVDN-SNVBAGLBSA-N 0 3 196.294 0.949 20 0 ACADHN CCNC(=O)CN1CC[C@@H](C2CC2)C1 677905209 486906605 /nfs/dbraw/zinc/90/66/05/486906605.db2.gz AZCNJGNEOIOBDD-SNVBAGLBSA-N 0 3 196.294 0.854 20 0 ACADHN CCCN(CC)[C@H]1CCN(C)C1=O 677888873 486907030 /nfs/dbraw/zinc/90/70/30/486907030.db2.gz ZFAKLIQXCJFXFD-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN CCNC(=O)CN1CC[C@H](C2CC2)C1 677905208 486907172 /nfs/dbraw/zinc/90/71/72/486907172.db2.gz AZCNJGNEOIOBDD-JTQLQIEISA-N 0 3 196.294 0.854 20 0 ACADHN COCCCNC(=O)C1(N)CCC1 88050209 486907931 /nfs/dbraw/zinc/90/79/31/486907931.db2.gz PUPCDXRJULCTMY-UHFFFAOYSA-N 0 3 186.255 0.021 20 0 ACADHN NC1(C(=O)Nc2nncs2)CCC1 88050172 486907989 /nfs/dbraw/zinc/90/79/89/486907989.db2.gz JQQSTQQPFVLGCI-UHFFFAOYSA-N 0 3 198.251 0.358 20 0 ACADHN CCCCNC(=O)C1(N)CCC1 88050034 486908049 /nfs/dbraw/zinc/90/80/49/486908049.db2.gz BZMOUIMSCBBNKG-UHFFFAOYSA-N 0 3 170.256 0.784 20 0 ACADHN NC1(C(=O)Nc2cc[nH]n2)CCC1 88050805 486908064 /nfs/dbraw/zinc/90/80/64/486908064.db2.gz ZCXGAMSNZGVXLU-UHFFFAOYSA-N 0 3 180.211 0.230 20 0 ACADHN COC[C@@H](C)NC(=O)C1(N)CCC1 88050025 486908258 /nfs/dbraw/zinc/90/82/58/486908258.db2.gz KSGQGZCVWAHWEX-SSDOTTSWSA-N 0 3 186.255 0.019 20 0 ACADHN COC[C@H](C)NC(=O)C1(N)CCC1 88050024 486908316 /nfs/dbraw/zinc/90/83/16/486908316.db2.gz KSGQGZCVWAHWEX-ZETCQYMHSA-N 0 3 186.255 0.019 20 0 ACADHN NC1(C(=O)NCCC2CC2)CCC1 88051410 486908323 /nfs/dbraw/zinc/90/83/23/486908323.db2.gz ASNBEEBSAJLTST-UHFFFAOYSA-N 0 3 182.267 0.784 20 0 ACADHN Cn1ccc(NC(=O)C2(N)CCC2)n1 88050498 486908395 /nfs/dbraw/zinc/90/83/95/486908395.db2.gz VJMGRHUJIRQYDU-UHFFFAOYSA-N 0 3 194.238 0.240 20 0 ACADHN CCOCCNC(=O)C1(N)CCC1 88050428 486908666 /nfs/dbraw/zinc/90/86/66/486908666.db2.gz OZRJHAHJZZJHPR-UHFFFAOYSA-N 0 3 186.255 0.021 20 0 ACADHN Cc1cc(NC(=O)C2(N)CCC2)n[nH]1 88051186 486908712 /nfs/dbraw/zinc/90/87/12/486908712.db2.gz QMYKXLYYCITZLS-UHFFFAOYSA-N 0 3 194.238 0.538 20 0 ACADHN CN(C)CCCNC(=O)C1CC(=O)C1 677946897 486908905 /nfs/dbraw/zinc/90/89/05/486908905.db2.gz YIXCSGLHQKDTSO-UHFFFAOYSA-N 0 3 198.266 0.033 20 0 ACADHN COCCN(C)CCn1ccnc1C 677980973 486910231 /nfs/dbraw/zinc/91/02/31/486910231.db2.gz PORPTLWNKROLKZ-UHFFFAOYSA-N 0 3 197.282 0.770 20 0 ACADHN CN(CCn1ccnc1)[C@@H]1CCOC1 677983149 486910305 /nfs/dbraw/zinc/91/03/05/486910305.db2.gz JKGBORFPDPWMFV-SNVBAGLBSA-N 0 3 195.266 0.604 20 0 ACADHN CO[C@H]1CCN(CCn2ccnc2)C1 677983563 486910532 /nfs/dbraw/zinc/91/05/32/486910532.db2.gz DKXPIDYAPUUCNS-JTQLQIEISA-N 0 3 195.266 0.604 20 0 ACADHN CN(CCn1ccnc1)[C@H]1CCOC1 677983148 486910617 /nfs/dbraw/zinc/91/06/17/486910617.db2.gz JKGBORFPDPWMFV-JTQLQIEISA-N 0 3 195.266 0.604 20 0 ACADHN COCCN(C)CCn1ccnc1 677981123 486910877 /nfs/dbraw/zinc/91/08/77/486910877.db2.gz VLDFWTWYDBBBSF-UHFFFAOYSA-N 0 3 183.255 0.461 20 0 ACADHN O=c1ccccn1CCN1CCCC1 96547407 486913054 /nfs/dbraw/zinc/91/30/54/486913054.db2.gz JFLATOUTCLPFRE-UHFFFAOYSA-N 0 3 192.262 0.944 20 0 ACADHN CN1C(=O)C[C@H](NC(C)(C)C)C1=O 102664648 486916585 /nfs/dbraw/zinc/91/65/85/486916585.db2.gz WWVHRKFZTKTOGV-LURJTMIESA-N 0 3 184.239 0.132 20 0 ACADHN CC(C)N[C@@H]1CC(=O)N(C2CC2)C1=O 102665166 486916629 /nfs/dbraw/zinc/91/66/29/486916629.db2.gz XXCPEWMXZVQEJY-MRVPVSSYSA-N 0 3 196.250 0.274 20 0 ACADHN CN1C(=O)C[C@H](NC2CCCC2)C1=O 102664669 486916639 /nfs/dbraw/zinc/91/66/39/486916639.db2.gz QSIRUNLMDXSIDP-QMMMGPOBSA-N 0 3 196.250 0.276 20 0 ACADHN Cc1n[nH]cc1CN(CCO)C(C)C 678122933 486918689 /nfs/dbraw/zinc/91/86/89/486918689.db2.gz LAKJFWLNYMFJQD-UHFFFAOYSA-N 0 3 197.282 0.921 20 0 ACADHN CCCN(CCO)Cc1c[nH]nc1C 678122696 486918832 /nfs/dbraw/zinc/91/88/32/486918832.db2.gz FRJGCTIWTTXVQA-UHFFFAOYSA-N 0 3 197.282 0.922 20 0 ACADHN OC1CCN(CC2=CCCOC2)CC1 678124301 486919077 /nfs/dbraw/zinc/91/90/77/486919077.db2.gz VUXXMYRHDLCDDG-UHFFFAOYSA-N 0 3 197.278 0.790 20 0 ACADHN OC1CCN([C@@H]2CCCOC2)CC1 107172717 486920563 /nfs/dbraw/zinc/92/05/63/486920563.db2.gz IGHNBIPNLJSYOW-SECBINFHSA-N 0 3 185.267 0.622 20 0 ACADHN OC1CCN([C@H]2CCCOC2)CC1 107172715 486920625 /nfs/dbraw/zinc/92/06/25/486920625.db2.gz IGHNBIPNLJSYOW-VIFPVBQESA-N 0 3 185.267 0.622 20 0 ACADHN CC1(C)CN(C(=O)C2CCC2)CCN1 106873533 486920764 /nfs/dbraw/zinc/92/07/64/486920764.db2.gz YIQXBLWRTQTSPS-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN COC[C@](C)(F)CN 107257469 486921386 /nfs/dbraw/zinc/92/13/86/486921386.db2.gz ISEKIPXDTNWDPZ-RXMQYKEDSA-N 0 3 121.155 0.320 20 0 ACADHN COC[C@@](C)(F)CN 107257472 486921487 /nfs/dbraw/zinc/92/14/87/486921487.db2.gz ISEKIPXDTNWDPZ-YFKPBYRVSA-N 0 3 121.155 0.320 20 0 ACADHN F[C@H]1CNCC[C@H]1N1CCOCC1 107272518 486921692 /nfs/dbraw/zinc/92/16/92/486921692.db2.gz JFXIERVQQQVKBH-DTWKUNHWSA-N 0 3 188.246 0.019 20 0 ACADHN C[C@@H](O)CN1CC(C)(C)C1 108281514 486922304 /nfs/dbraw/zinc/92/23/04/486922304.db2.gz UOPZLYAVUPNYKL-SSDOTTSWSA-N 0 3 143.230 0.709 20 0 ACADHN C[C@H](O)CN1CC(C)(C)C1 108281511 486922842 /nfs/dbraw/zinc/92/28/42/486922842.db2.gz UOPZLYAVUPNYKL-ZETCQYMHSA-N 0 3 143.230 0.709 20 0 ACADHN Cn1ccc(CNC2CCOCC2)n1 112342349 486923664 /nfs/dbraw/zinc/92/36/64/486923664.db2.gz FRSBLWSZRYAWTA-UHFFFAOYSA-N 0 3 195.266 0.689 20 0 ACADHN C[C@H]1CN(CCOCC2CC2)C[C@@H]1O 678172232 486924319 /nfs/dbraw/zinc/92/43/19/486924319.db2.gz VQAAXSNOZYFOQF-ONGXEEELSA-N 0 3 199.294 0.726 20 0 ACADHN C[C@H]1CN(CCOCC2CC2)C[C@H]1O 678172223 486924562 /nfs/dbraw/zinc/92/45/62/486924562.db2.gz VQAAXSNOZYFOQF-GXSJLCMTSA-N 0 3 199.294 0.726 20 0 ACADHN C[C@@H]1CN(CCOCC2CC2)C[C@H]1O 678172229 486924805 /nfs/dbraw/zinc/92/48/05/486924805.db2.gz VQAAXSNOZYFOQF-MWLCHTKSSA-N 0 3 199.294 0.726 20 0 ACADHN C[C@@H]1CN(CCOCC2CC2)C[C@@H]1O 678172225 486924901 /nfs/dbraw/zinc/92/49/01/486924901.db2.gz VQAAXSNOZYFOQF-KOLCDFICSA-N 0 3 199.294 0.726 20 0 ACADHN CNCC(=O)N(C)c1nccs1 114947505 486925667 /nfs/dbraw/zinc/92/56/67/486925667.db2.gz XIYONUQNPFIBSJ-UHFFFAOYSA-N 0 3 185.252 0.325 20 0 ACADHN OCCN(Cc1cn[nH]c1)CC1CC1 678214695 486926133 /nfs/dbraw/zinc/92/61/33/486926133.db2.gz BPBSMPDJMWRUIV-UHFFFAOYSA-N 0 3 195.266 0.614 20 0 ACADHN C[C@@H](CN(C)C)Nc1ncccn1 116320697 486926760 /nfs/dbraw/zinc/92/67/60/486926760.db2.gz BAKJRHAFNHYVMJ-QMMMGPOBSA-N 0 3 180.255 0.839 20 0 ACADHN Cc1n[nH]cc1CN1CC[C@H](CO)C1 678225672 486926963 /nfs/dbraw/zinc/92/69/63/486926963.db2.gz QEQBSAATIVQRDY-VIFPVBQESA-N 0 3 195.266 0.532 20 0 ACADHN Cc1n[nH]cc1CN1CC[C@@H](CO)C1 678225671 486927219 /nfs/dbraw/zinc/92/72/19/486927219.db2.gz QEQBSAATIVQRDY-SECBINFHSA-N 0 3 195.266 0.532 20 0 ACADHN F[C@H]1CNCC[C@@H]1N1CCCC1 117727144 486927663 /nfs/dbraw/zinc/92/76/63/486927663.db2.gz MVMMIILUFKFCNK-IUCAKERBSA-N 0 3 172.247 0.782 20 0 ACADHN COC[C@H]1CCN(Cc2cn[nH]c2)C1 678260158 486928521 /nfs/dbraw/zinc/92/85/21/486928521.db2.gz ABAVVTUYGYNWTG-VIFPVBQESA-N 0 3 195.266 0.878 20 0 ACADHN Cc1n[nH]cc1CN(C)CC(C)(C)O 678267853 486928624 /nfs/dbraw/zinc/92/86/24/486928624.db2.gz SMCCCVWMEQNEQB-UHFFFAOYSA-N 0 3 197.282 0.921 20 0 ACADHN COC[C@@H]1CCN(Cc2cn[nH]c2)C1 678260151 486928782 /nfs/dbraw/zinc/92/87/82/486928782.db2.gz ABAVVTUYGYNWTG-SECBINFHSA-N 0 3 195.266 0.878 20 0 ACADHN Cn1cccc1CNCC1(CO)CC1 118906843 486928892 /nfs/dbraw/zinc/92/88/92/486928892.db2.gz VELOQQPZKFKFQZ-UHFFFAOYSA-N 0 3 194.278 0.887 20 0 ACADHN OCC1(CNCc2ccccn2)CC1 118907083 486928987 /nfs/dbraw/zinc/92/89/87/486928987.db2.gz ANKIWKNWQABGNJ-UHFFFAOYSA-N 0 3 192.262 0.944 20 0 ACADHN Cn1cc(CNCC2(CO)CC2)cn1 118907002 486929039 /nfs/dbraw/zinc/92/90/39/486929039.db2.gz OETOHWDAKAIZIO-UHFFFAOYSA-N 0 3 195.266 0.282 20 0 ACADHN C[C@H](CCO)NCc1ccnn1C 118906409 486929159 /nfs/dbraw/zinc/92/91/59/486929159.db2.gz LMMBRTIQEGXMKV-MRVPVSSYSA-N 0 3 183.255 0.281 20 0 ACADHN Cn1nccc1CNCC1(CO)CC1 118907207 486929343 /nfs/dbraw/zinc/92/93/43/486929343.db2.gz ZIDIOWHNPFCSOW-UHFFFAOYSA-N 0 3 195.266 0.282 20 0 ACADHN C[C@@H](CCO)NCc1ccnn1C 118906406 486929476 /nfs/dbraw/zinc/92/94/76/486929476.db2.gz LMMBRTIQEGXMKV-QMMMGPOBSA-N 0 3 183.255 0.281 20 0 ACADHN Cn1cncc1CNCC1(CO)CC1 118906951 486929484 /nfs/dbraw/zinc/92/94/84/486929484.db2.gz PUMPHMOMQPOIQQ-UHFFFAOYSA-N 0 3 195.266 0.282 20 0 ACADHN Cc1n[nH]cc1CNCC1(CO)CC1 118906856 486929582 /nfs/dbraw/zinc/92/95/82/486929582.db2.gz GEMBFKBENVMVFM-UHFFFAOYSA-N 0 3 195.266 0.580 20 0 ACADHN OCC1(CNCc2cccnc2)CC1 118906992 486929681 /nfs/dbraw/zinc/92/96/81/486929681.db2.gz VAFKJCPPWLQJDR-UHFFFAOYSA-N 0 3 192.262 0.944 20 0 ACADHN OCC1(CNCc2ccncc2)CC1 118906720 486929749 /nfs/dbraw/zinc/92/97/49/486929749.db2.gz WLTVPRIUDMBROJ-UHFFFAOYSA-N 0 3 192.262 0.944 20 0 ACADHN CCS(=O)(=O)C[C@H](C)NC1CC1 123224528 486938429 /nfs/dbraw/zinc/93/84/29/486938429.db2.gz NHWJSIUWZHXKGU-ZETCQYMHSA-N 0 3 191.296 0.562 20 0 ACADHN CCN(CCCO)Cc1c[nH]nc1C 678278915 486931332 /nfs/dbraw/zinc/93/13/32/486931332.db2.gz FXIVSPXNFSZEGD-UHFFFAOYSA-N 0 3 197.282 0.922 20 0 ACADHN CCN1CCN([C@@H]2CCOC2)CC1 678348828 486933731 /nfs/dbraw/zinc/93/37/31/486933731.db2.gz CEXOSUNNHZARSW-SNVBAGLBSA-N 0 3 184.283 0.413 20 0 ACADHN CCN1CCN([C@H]2CCOC2)CC1 678348827 486933769 /nfs/dbraw/zinc/93/37/69/486933769.db2.gz CEXOSUNNHZARSW-JTQLQIEISA-N 0 3 184.283 0.413 20 0 ACADHN CC(C)[C@@H](N)C(=O)N(C)CC(F)F 122467909 486933653 /nfs/dbraw/zinc/93/36/53/486933653.db2.gz VBXMKEVMZNNSBM-SSDOTTSWSA-N 0 3 194.225 0.693 20 0 ACADHN CC(C)NCC(=O)N(C)CC(F)F 122482109 486933939 /nfs/dbraw/zinc/93/39/39/486933939.db2.gz IZRGIGDJTHUILI-UHFFFAOYSA-N 0 3 194.225 0.708 20 0 ACADHN CN[C@@H](C)C(=O)N(C)CC(F)F 122495975 486934716 /nfs/dbraw/zinc/93/47/16/486934716.db2.gz QNBWTWLTGOLSGC-YFKPBYRVSA-N 0 3 180.198 0.318 20 0 ACADHN CC[C@@H](N)C(=O)N(C)CC(F)F 122489191 486934943 /nfs/dbraw/zinc/93/49/43/486934943.db2.gz HDGSLISWYISJNH-RXMQYKEDSA-N 0 3 180.198 0.447 20 0 ACADHN COCCN(C)CCc1cnccn1 678466373 486936265 /nfs/dbraw/zinc/93/62/65/486936265.db2.gz NJHBPBGFAXCOPO-UHFFFAOYSA-N 0 3 195.266 0.597 20 0 ACADHN C[C@H](N[C@H](C)CCO)c1cnn(C)c1 122848353 486936435 /nfs/dbraw/zinc/93/64/35/486936435.db2.gz NOKPMHMCICLRCD-BDAKNGLRSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@@H](CCO)N[C@H](C)c1cnccn1 122840724 486936463 /nfs/dbraw/zinc/93/64/63/486936463.db2.gz LQSBLGDNIBXNCT-DTWKUNHWSA-N 0 3 195.266 0.898 20 0 ACADHN C[C@@H](CCO)N[C@@H](C)c1cnccn1 122840307 486936520 /nfs/dbraw/zinc/93/65/20/486936520.db2.gz LQSBLGDNIBXNCT-IUCAKERBSA-N 0 3 195.266 0.898 20 0 ACADHN C[C@H](CCO)N[C@H](C)c1cnn(C)c1 122848793 486936571 /nfs/dbraw/zinc/93/65/71/486936571.db2.gz NOKPMHMCICLRCD-RKDXNWHRSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@@H](CCO)N[C@H](C)c1cnn(C)c1 122848561 486936633 /nfs/dbraw/zinc/93/66/33/486936633.db2.gz NOKPMHMCICLRCD-DTWKUNHWSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@H](CCO)N[C@H](C)c1cnccn1 122840971 486936991 /nfs/dbraw/zinc/93/69/91/486936991.db2.gz LQSBLGDNIBXNCT-RKDXNWHRSA-N 0 3 195.266 0.898 20 0 ACADHN C[C@@H](CCO)N[C@@H](C)c1cnn(C)c1 122848134 486937080 /nfs/dbraw/zinc/93/70/80/486937080.db2.gz NOKPMHMCICLRCD-IUCAKERBSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@H](N[C@H](C)CCO)c1cnccn1 122840518 486937052 /nfs/dbraw/zinc/93/70/52/486937052.db2.gz LQSBLGDNIBXNCT-BDAKNGLRSA-N 0 3 195.266 0.898 20 0 ACADHN CCS(=O)(=O)C[C@@H](C)NC1CC1 123224301 486938597 /nfs/dbraw/zinc/93/85/97/486938597.db2.gz NHWJSIUWZHXKGU-SSDOTTSWSA-N 0 3 191.296 0.562 20 0 ACADHN CC[C@@H](N[C@@H](C)CO)c1cnn(C)c1 123296033 486938621 /nfs/dbraw/zinc/93/86/21/486938621.db2.gz LLBPACAQOYLDRZ-WCBMZHEXSA-N 0 3 197.282 0.842 20 0 ACADHN CC[C@H](N[C@@H](C)CO)c1cnn(C)c1 123295821 486938901 /nfs/dbraw/zinc/93/89/01/486938901.db2.gz LLBPACAQOYLDRZ-WPRPVWTQSA-N 0 3 197.282 0.842 20 0 ACADHN CCOCCN(C)CCn1ccnc1 678537050 486939877 /nfs/dbraw/zinc/93/98/77/486939877.db2.gz ZMIUVNOHIRCOLF-UHFFFAOYSA-N 0 3 197.282 0.851 20 0 ACADHN CCN(C)C(=O)CNC1CC(C)C1 123412394 486939995 /nfs/dbraw/zinc/93/99/95/486939995.db2.gz BQGAJAAKSDNAOA-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN CCOCCN(C)CCn1cncn1 678536805 486939997 /nfs/dbraw/zinc/93/99/97/486939997.db2.gz VFUBPQLKVZNOOC-UHFFFAOYSA-N 0 3 198.270 0.246 20 0 ACADHN CC1CC(NCC(=O)NC2CC2)C1 123432534 486940332 /nfs/dbraw/zinc/94/03/32/486940332.db2.gz OLNBHOVYLZDFBF-UHFFFAOYSA-N 0 3 182.267 0.653 20 0 ACADHN CN[C@@H](C)C(=O)NC1CC(C)C1 123456019 486940294 /nfs/dbraw/zinc/94/02/94/486940294.db2.gz UMZQPZWRAQVQNQ-WTIBDHCWSA-N 0 3 170.256 0.509 20 0 ACADHN CC1CC(NC(=O)CNC(C)C)C1 123462827 486940706 /nfs/dbraw/zinc/94/07/06/486940706.db2.gz RLSMASKZYWOXAO-UHFFFAOYSA-N 0 3 184.283 0.899 20 0 ACADHN CC[C@H](N)C(=O)NC(C)(C)COC 135076219 486942565 /nfs/dbraw/zinc/94/25/65/486942565.db2.gz AMFHAUKSKCUABF-ZETCQYMHSA-N 0 3 188.271 0.265 20 0 ACADHN CCC[C@H](O)CN(C)[C@@H]1CCOC1 134754429 486942765 /nfs/dbraw/zinc/94/27/65/486942765.db2.gz OMWDKFVVTBWJKS-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN CCC[C@@H](O)CN(C)[C@@H]1CCOC1 134754453 486943117 /nfs/dbraw/zinc/94/31/17/486943117.db2.gz OMWDKFVVTBWJKS-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@@H](CNC(=O)NC1CC1)N(C)C 135989390 486944259 /nfs/dbraw/zinc/94/42/59/486944259.db2.gz JPOUFWAEYKSHJQ-ZETCQYMHSA-N 0 3 185.271 0.398 20 0 ACADHN C[C@@H](CNC(=O)N(C)C)N(C)C 135989306 486944411 /nfs/dbraw/zinc/94/44/11/486944411.db2.gz PRSFRCDQZKPNIR-ZETCQYMHSA-N 0 3 173.260 0.208 20 0 ACADHN CCNC(=O)NC[C@@H](C)N1CCCC1 136011753 486944921 /nfs/dbraw/zinc/94/49/21/486944921.db2.gz INKBOXFWJHCSAH-SECBINFHSA-N 0 3 199.298 0.790 20 0 ACADHN CC(C)NC(=O)NC[C@H](C)N(C)C 136004493 486945045 /nfs/dbraw/zinc/94/50/45/486945045.db2.gz OZRALWWVFIDPOZ-QMMMGPOBSA-N 0 3 187.287 0.644 20 0 ACADHN CCNC(=O)NC[C@H](C)N1CCCC1 136011790 486945086 /nfs/dbraw/zinc/94/50/86/486945086.db2.gz INKBOXFWJHCSAH-VIFPVBQESA-N 0 3 199.298 0.790 20 0 ACADHN CCNC(=O)NC[C@H](C)N(C)C 136012838 486945362 /nfs/dbraw/zinc/94/53/62/486945362.db2.gz CDCIDEBXELKJDM-ZETCQYMHSA-N 0 3 173.260 0.256 20 0 ACADHN CCCNC(=O)NC[C@H](C)N(C)C 136007419 486945371 /nfs/dbraw/zinc/94/53/71/486945371.db2.gz GRJDBIRYHGKGQA-QMMMGPOBSA-N 0 3 187.287 0.646 20 0 ACADHN Cc1cnc(N2CC(N(C)C)C2)nc1 678823528 486946645 /nfs/dbraw/zinc/94/66/45/486946645.db2.gz UTEOIJDOQQUACG-UHFFFAOYSA-N 0 3 192.266 0.535 20 0 ACADHN Cc1cc(N2CC(N(C)C)C2)ncn1 678822394 486946830 /nfs/dbraw/zinc/94/68/30/486946830.db2.gz CURHQGRAUNDOFA-UHFFFAOYSA-N 0 3 192.266 0.535 20 0 ACADHN CN(C)C1CN(c2ncc(F)cn2)C1 678822803 486946858 /nfs/dbraw/zinc/94/68/58/486946858.db2.gz HVFPZMLRERMJFI-UHFFFAOYSA-N 0 3 196.229 0.366 20 0 ACADHN Cc1nccc(N2CC(N(C)C)C2)n1 678823352 486946867 /nfs/dbraw/zinc/94/68/67/486946867.db2.gz QGJVMHBVLMERPW-UHFFFAOYSA-N 0 3 192.266 0.535 20 0 ACADHN CC(C)CCN1CCC[C@@H]1C(N)=O 138638977 486947007 /nfs/dbraw/zinc/94/70/07/486947007.db2.gz HAWUYXGRVLGODW-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN CC(C)CN1CCOC[C@H]1CO 142652342 486948980 /nfs/dbraw/zinc/94/89/80/486948980.db2.gz YJWQDZZFVWDYOW-SECBINFHSA-N 0 3 173.256 0.336 20 0 ACADHN CC(=O)CN(C)CCN1CCCCC1 144366419 486950553 /nfs/dbraw/zinc/95/05/53/486950553.db2.gz OLTOLYZIQFYGAG-UHFFFAOYSA-N 0 3 198.310 0.993 20 0 ACADHN CCC[C@@H](C)Nc1nc(N)nc(N)n1 146490329 486951937 /nfs/dbraw/zinc/95/19/37/486951937.db2.gz HJXMVUDTFCTVON-RXMQYKEDSA-N 0 3 196.258 0.637 20 0 ACADHN CCC[C@H](C)Nc1nc(N)nc(N)n1 146490523 486952257 /nfs/dbraw/zinc/95/22/57/486952257.db2.gz HJXMVUDTFCTVON-YFKPBYRVSA-N 0 3 196.258 0.637 20 0 ACADHN COCCN1CCCOCC1 146350632 486952472 /nfs/dbraw/zinc/95/24/72/486952472.db2.gz VPXVMNVOYLRJGN-UHFFFAOYSA-N 0 3 159.229 0.355 20 0 ACADHN CCCCN(C)c1nc(N)nc(N)n1 146896816 486953113 /nfs/dbraw/zinc/95/31/13/486953113.db2.gz PERDHQYKTKYMOU-UHFFFAOYSA-N 0 3 196.258 0.272 20 0 ACADHN CCCCS(=O)(=O)C(C)C(N)=O 147020878 486953901 /nfs/dbraw/zinc/95/39/01/486953901.db2.gz IJXIMULOMRMPHM-ZCFIWIBFSA-N 0 3 193.268 0.075 20 0 ACADHN CCCCS(=O)(=O)C(C)C(N)=O 147020678 486954107 /nfs/dbraw/zinc/95/41/07/486954107.db2.gz IJXIMULOMRMPHM-LURJTMIESA-N 0 3 193.268 0.075 20 0 ACADHN CN1CC[C@@H]2[C@@H](CCCN2C(N)=O)C1 679271588 486955491 /nfs/dbraw/zinc/95/54/91/486955491.db2.gz IWCJHJNXJHFECF-DTWKUNHWSA-N 0 3 197.282 0.481 20 0 ACADHN C[C@H](CNC(=O)C1CC(=O)C1)N(C)C 679267368 486955500 /nfs/dbraw/zinc/95/55/00/486955500.db2.gz DAIPHXBCDOFMPF-SSDOTTSWSA-N 0 3 198.266 0.032 20 0 ACADHN CN1CC[C@H]2[C@H](CCCN2C(N)=O)C1 679271587 486955533 /nfs/dbraw/zinc/95/55/33/486955533.db2.gz IWCJHJNXJHFECF-BDAKNGLRSA-N 0 3 197.282 0.481 20 0 ACADHN CN1CC[C@@H]2[C@H](CCCN2C(N)=O)C1 679271590 486955568 /nfs/dbraw/zinc/95/55/68/486955568.db2.gz IWCJHJNXJHFECF-RKDXNWHRSA-N 0 3 197.282 0.481 20 0 ACADHN CN1CC[C@H]2[C@@H](CCCN2C(N)=O)C1 679271589 486955716 /nfs/dbraw/zinc/95/57/16/486955716.db2.gz IWCJHJNXJHFECF-IUCAKERBSA-N 0 3 197.282 0.481 20 0 ACADHN O=C(CNC1CC1)NCC(F)F 147677463 486955976 /nfs/dbraw/zinc/95/59/76/486955976.db2.gz QWTYXGXZHFHBHY-UHFFFAOYSA-N 0 3 178.182 0.120 20 0 ACADHN CCOC(=O)CCCN(C)CCO 147935182 486957737 /nfs/dbraw/zinc/95/77/37/486957737.db2.gz LVWIUBVBDKEGPJ-UHFFFAOYSA-N 0 3 189.255 0.254 20 0 ACADHN C1=CCN(CCN2CCOCC2)CC1 679322045 486958157 /nfs/dbraw/zinc/95/81/57/486958157.db2.gz SWYBPQFSADYWEA-UHFFFAOYSA-N 0 3 196.294 0.581 20 0 ACADHN CCCCN(C)CC(=O)N(C)C 147908732 486958166 /nfs/dbraw/zinc/95/81/66/486958166.db2.gz SWXIBIXRJJHAAV-UHFFFAOYSA-N 0 3 172.272 0.807 20 0 ACADHN CN1CCC[C@H](N2CC=CCC2)C1=O 679323428 486958484 /nfs/dbraw/zinc/95/84/84/486958484.db2.gz IKTOEMPKCIWTEH-JTQLQIEISA-N 0 3 194.278 0.869 20 0 ACADHN O=C1CCCN1CCN1CC=CCC1 679323380 486958639 /nfs/dbraw/zinc/95/86/39/486958639.db2.gz WMZCPSZMTCETBX-UHFFFAOYSA-N 0 3 194.278 0.871 20 0 ACADHN OCCOCCN1CC=CCC1 679322211 486958753 /nfs/dbraw/zinc/95/87/53/486958753.db2.gz VTHKUIWKFYAIEN-UHFFFAOYSA-N 0 3 171.240 0.257 20 0 ACADHN CCC[C@@H](O)CNC(=O)[C@@H](N)CC 157623438 486965643 /nfs/dbraw/zinc/96/56/43/486965643.db2.gz HNDHBGOBUQCZNY-SFYZADRCSA-N 0 3 188.271 0.001 20 0 ACADHN CN1CCC[C@@H](N2CC=CCC2)C1=O 679323430 486959066 /nfs/dbraw/zinc/95/90/66/486959066.db2.gz IKTOEMPKCIWTEH-SNVBAGLBSA-N 0 3 194.278 0.869 20 0 ACADHN OCC1(CN2CC=CCC2)COC1 679324588 486959885 /nfs/dbraw/zinc/95/98/85/486959885.db2.gz XSWXCORVPNFRIN-UHFFFAOYSA-N 0 3 183.251 0.257 20 0 ACADHN CN1CCC[C@H]1C(=O)N1CC=CCC1 679325264 486960408 /nfs/dbraw/zinc/96/04/08/486960408.db2.gz TWRFOPPYDNCHCE-JTQLQIEISA-N 0 3 194.278 0.869 20 0 ACADHN CN1CCC[C@@H]1C(=O)N1CC=CCC1 679325265 486960505 /nfs/dbraw/zinc/96/05/05/486960505.db2.gz TWRFOPPYDNCHCE-SNVBAGLBSA-N 0 3 194.278 0.869 20 0 ACADHN CC[C@H](C)[C@H](N)C(=O)N1C[C@H]2C[C@H]2C1 150121009 486960822 /nfs/dbraw/zinc/96/08/22/486960822.db2.gz YPWXHPFYZZWSEM-QEYWKRMJSA-N 0 3 196.294 0.838 20 0 ACADHN CC[C@@H](C)[C@H](N)C(=O)N1C[C@H]2C[C@H]2C1 150120825 486961215 /nfs/dbraw/zinc/96/12/15/486961215.db2.gz YPWXHPFYZZWSEM-IMSYWVGJSA-N 0 3 196.294 0.838 20 0 ACADHN CN(C)CCN(C)Cc1cnn(C)c1 679412008 486962395 /nfs/dbraw/zinc/96/23/95/486962395.db2.gz GHLFTIBWXAPAQY-UHFFFAOYSA-N 0 3 196.298 0.414 20 0 ACADHN C[C@H]1C[C@H]1CNC(=O)[C@@H]1CCCCN1 157532001 486963263 /nfs/dbraw/zinc/96/32/63/486963263.db2.gz PRROEJZWSUUDPX-GUBZILKMSA-N 0 3 196.294 0.901 20 0 ACADHN C[C@@H]1C[C@H]1CNC(=O)[C@@H]1CCCCN1 157531865 486963282 /nfs/dbraw/zinc/96/32/82/486963282.db2.gz PRROEJZWSUUDPX-UTLUCORTSA-N 0 3 196.294 0.901 20 0 ACADHN CCC(CC)CNC(=O)[C@@H](C)N 157526806 486963362 /nfs/dbraw/zinc/96/33/62/486963362.db2.gz BWRWVPLDXVXYNT-SSDOTTSWSA-N 0 3 172.272 0.886 20 0 ACADHN C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1CCCCN1 157531577 486963785 /nfs/dbraw/zinc/96/37/85/486963785.db2.gz PRROEJZWSUUDPX-BBBLOLIVSA-N 0 3 196.294 0.901 20 0 ACADHN C[C@H]1C[C@@H]1CNC(=O)[C@@H]1CCCCN1 157531737 486963936 /nfs/dbraw/zinc/96/39/36/486963936.db2.gz PRROEJZWSUUDPX-AEJSXWLSSA-N 0 3 196.294 0.901 20 0 ACADHN CN[C@@H](C)C(=O)NCCCC1CC1 157307991 486964013 /nfs/dbraw/zinc/96/40/13/486964013.db2.gz VZWJTTRGQAAREG-QMMMGPOBSA-N 0 3 184.283 0.901 20 0 ACADHN CC(C)[C@@H](N)C(=O)NC[C@H]1C[C@@H]1C 157541387 486964383 /nfs/dbraw/zinc/96/43/83/486964383.db2.gz SIUKEUYLINPEQL-DJLDLDEBSA-N 0 3 184.283 0.742 20 0 ACADHN CC[C@H](O)CCNC(=O)C(C)(C)N 157582891 486964402 /nfs/dbraw/zinc/96/44/02/486964402.db2.gz RHVPVOLTRFRASH-ZETCQYMHSA-N 0 3 188.271 0.001 20 0 ACADHN CC[C@@H](N)C(=O)NC[C@H]1C[C@@H]1C 157538915 486964432 /nfs/dbraw/zinc/96/44/32/486964432.db2.gz WOKOADDHEZDEGB-XLPZGREQSA-N 0 3 170.256 0.496 20 0 ACADHN CC(C)[C@H](N)C(=O)NC[C@@H]1C[C@@H]1C 157542809 486964445 /nfs/dbraw/zinc/96/44/45/486964445.db2.gz SIUKEUYLINPEQL-CIUDSAMLSA-N 0 3 184.283 0.742 20 0 ACADHN C[C@H](N)C(=O)NC[C@@H](C)C1CC1 157552622 486964467 /nfs/dbraw/zinc/96/44/67/486964467.db2.gz XOLMYNSSAKWMIX-RQJHMYQMSA-N 0 3 170.256 0.496 20 0 ACADHN CC[C@H](N)C(=O)NCC[C@H](O)CC 157586113 486964536 /nfs/dbraw/zinc/96/45/36/486964536.db2.gz XGESMTGYXVPJBU-SFYZADRCSA-N 0 3 188.271 0.001 20 0 ACADHN C[C@H](N)C(=O)NC[C@H](C)C1CC1 157552771 486964547 /nfs/dbraw/zinc/96/45/47/486964547.db2.gz XOLMYNSSAKWMIX-BQBZGAKWSA-N 0 3 170.256 0.496 20 0 ACADHN CC[C@H](O)CCNC(=O)[C@H](N)CC 157585688 486964558 /nfs/dbraw/zinc/96/45/58/486964558.db2.gz XGESMTGYXVPJBU-JGVFFNPUSA-N 0 3 188.271 0.001 20 0 ACADHN CC(C)[C@H](N)C(=O)NC[C@H]1C[C@@H]1C 157542530 486964638 /nfs/dbraw/zinc/96/46/38/486964638.db2.gz SIUKEUYLINPEQL-YIZRAAEISA-N 0 3 184.283 0.742 20 0 ACADHN CC[C@@H](N)C(=O)NC[C@@H]1C[C@@H]1C 157538637 486964715 /nfs/dbraw/zinc/96/47/15/486964715.db2.gz WOKOADDHEZDEGB-BIIVOSGPSA-N 0 3 170.256 0.496 20 0 ACADHN CC[C@H](N)C(=O)NC[C@@H]1C[C@@H]1C 157538483 486964730 /nfs/dbraw/zinc/96/47/30/486964730.db2.gz WOKOADDHEZDEGB-FXQIFTODSA-N 0 3 170.256 0.496 20 0 ACADHN CC[C@H](N)C(=O)NC[C@H]1C[C@@H]1C 157538772 486964756 /nfs/dbraw/zinc/96/47/56/486964756.db2.gz WOKOADDHEZDEGB-RNJXMRFFSA-N 0 3 170.256 0.496 20 0 ACADHN CC[C@H](N)C(=O)NC[C@@H]1C[C@H]1C 157540958 486964771 /nfs/dbraw/zinc/96/47/71/486964771.db2.gz WOKOADDHEZDEGB-CSMHCCOUSA-N 0 3 170.256 0.496 20 0 ACADHN CC(C)[C@@H](N)C(=O)NC[C@H]1C[C@H]1C 157541237 486964682 /nfs/dbraw/zinc/96/46/82/486964682.db2.gz SIUKEUYLINPEQL-IWSPIJDZSA-N 0 3 184.283 0.742 20 0 ACADHN CC(C)[C@H](N)C(=O)NC[C@H]1C[C@H]1C 157542378 486964865 /nfs/dbraw/zinc/96/48/65/486964865.db2.gz SIUKEUYLINPEQL-HLTSFMKQSA-N 0 3 184.283 0.742 20 0 ACADHN C[C@H](N)C(=O)N(C)CC(F)F 157558325 486964894 /nfs/dbraw/zinc/96/48/94/486964894.db2.gz FHSSSZQEZJKJAA-BYPYZUCNSA-N 0 3 166.171 0.057 20 0 ACADHN CN(CC(F)F)C(=O)C(C)(C)N 157558488 486964929 /nfs/dbraw/zinc/96/49/29/486964929.db2.gz YBIKALZDNQJTNC-UHFFFAOYSA-N 0 3 180.198 0.447 20 0 ACADHN CC(C)[C@H](N)C(=O)NC[C@@H]1C[C@H]1C 157542675 486964942 /nfs/dbraw/zinc/96/49/42/486964942.db2.gz SIUKEUYLINPEQL-VGMNWLOBSA-N 0 3 184.283 0.742 20 0 ACADHN CC[C@H](N)C(=O)N(C)CC(F)F 157559560 486964996 /nfs/dbraw/zinc/96/49/96/486964996.db2.gz HDGSLISWYISJNH-YFKPBYRVSA-N 0 3 180.198 0.447 20 0 ACADHN CC[C@H](N)C(=O)NC[C@H]1C[C@H]1C 157541082 486965100 /nfs/dbraw/zinc/96/51/00/486965100.db2.gz WOKOADDHEZDEGB-PRJMDXOYSA-N 0 3 170.256 0.496 20 0 ACADHN CC(C)[C@H](N)C(=O)N(C)CC(F)F 157560252 486965139 /nfs/dbraw/zinc/96/51/39/486965139.db2.gz VBXMKEVMZNNSBM-ZETCQYMHSA-N 0 3 194.225 0.693 20 0 ACADHN C[C@@H](N)C(=O)NC[C@H](C)C1CC1 157553648 486965165 /nfs/dbraw/zinc/96/51/65/486965165.db2.gz XOLMYNSSAKWMIX-NKWVEPMBSA-N 0 3 170.256 0.496 20 0 ACADHN CC[C@@H](O)CCNC(=O)C(C)(C)N 157583041 486965176 /nfs/dbraw/zinc/96/51/76/486965176.db2.gz RHVPVOLTRFRASH-SSDOTTSWSA-N 0 3 188.271 0.001 20 0 ACADHN CC(C)[C@@H](N)C(=O)NC[C@@H]1C[C@@H]1C 157541677 486965195 /nfs/dbraw/zinc/96/51/95/486965195.db2.gz SIUKEUYLINPEQL-XHNCKOQMSA-N 0 3 184.283 0.742 20 0 ACADHN C[C@H](CNC(=O)[C@@H](C)N)C1CC1 157553804 486965202 /nfs/dbraw/zinc/96/52/02/486965202.db2.gz XOLMYNSSAKWMIX-RNFRBKRXSA-N 0 3 170.256 0.496 20 0 ACADHN CC[C@H](N)C(=O)NC[C@@H](C)C1CC1 157554597 486965211 /nfs/dbraw/zinc/96/52/11/486965211.db2.gz VPHUMAWXNNUHQI-APPZFPTMSA-N 0 3 184.283 0.886 20 0 ACADHN C[C@@H](N)C(=O)N(C)CC(F)F 157559114 486965221 /nfs/dbraw/zinc/96/52/21/486965221.db2.gz FHSSSZQEZJKJAA-SCSAIBSYSA-N 0 3 166.171 0.057 20 0 ACADHN CCCC(C)(C)NC(=O)CN 157567972 486965231 /nfs/dbraw/zinc/96/52/31/486965231.db2.gz GXVLUWCAWJYHPQ-UHFFFAOYSA-N 0 3 158.245 0.640 20 0 ACADHN CC(C)[C@@H](N)C(=O)NC[C@@H]1C[C@H]1C 157541530 486965238 /nfs/dbraw/zinc/96/52/38/486965238.db2.gz SIUKEUYLINPEQL-HRDYMLBCSA-N 0 3 184.283 0.742 20 0 ACADHN CC[C@H](O)CCNC(=O)[C@@H](N)CC 157585962 486965246 /nfs/dbraw/zinc/96/52/46/486965246.db2.gz XGESMTGYXVPJBU-YUMQZZPRSA-N 0 3 188.271 0.001 20 0 ACADHN CC[C@@H](O)CCNC(=O)[C@H](N)CC 157585821 486965262 /nfs/dbraw/zinc/96/52/62/486965262.db2.gz XGESMTGYXVPJBU-HTQZYQBOSA-N 0 3 188.271 0.001 20 0 ACADHN CC[C@H](N)C(=O)NC[C@H](C)C1CC1 157554742 486965267 /nfs/dbraw/zinc/96/52/67/486965267.db2.gz VPHUMAWXNNUHQI-CBAPKCEASA-N 0 3 184.283 0.886 20 0 ACADHN CCC[C@H](O)CNC(=O)[C@@H](N)CC 157623308 486965488 /nfs/dbraw/zinc/96/54/88/486965488.db2.gz HNDHBGOBUQCZNY-YUMQZZPRSA-N 0 3 188.271 0.001 20 0 ACADHN CCC[C@@H](O)CNC(=O)[C@H](N)CC 157623171 486966189 /nfs/dbraw/zinc/96/61/89/486966189.db2.gz HNDHBGOBUQCZNY-HTQZYQBOSA-N 0 3 188.271 0.001 20 0 ACADHN CC[C@@H](N)C(=O)N1C[C@H](C)C[C@@H]1C 157748510 486966618 /nfs/dbraw/zinc/96/66/18/486966618.db2.gz YBDHFQXSFDBCBL-HRDYMLBCSA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@H](N)C(=O)N1C[C@H](C)C[C@H]1C 157750749 486966647 /nfs/dbraw/zinc/96/66/47/486966647.db2.gz YBDHFQXSFDBCBL-HLTSFMKQSA-N 0 3 184.283 0.981 20 0 ACADHN NCC(=O)NCCCC1CC1 157743284 486966688 /nfs/dbraw/zinc/96/66/88/486966688.db2.gz MCYXYWGPZUJFTK-UHFFFAOYSA-N 0 3 156.229 0.252 20 0 ACADHN C[C@H](N)C(=O)NCCCC1CC1 157742821 486966753 /nfs/dbraw/zinc/96/67/53/486966753.db2.gz NYLJXIHXQFQIBO-ZETCQYMHSA-N 0 3 170.256 0.640 20 0 ACADHN CC[C@H](N)C(=O)N1C[C@@H](C)C[C@H]1C 157750886 486966803 /nfs/dbraw/zinc/96/68/03/486966803.db2.gz YBDHFQXSFDBCBL-YIZRAAEISA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@H](N)C(=O)N1C[C@H](C)C[C@@H]1C 157748351 486966879 /nfs/dbraw/zinc/96/68/79/486966879.db2.gz YBDHFQXSFDBCBL-VGMNWLOBSA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@@H](N)C(=O)N1C[C@@H](C)C[C@@H]1C 157748788 486966948 /nfs/dbraw/zinc/96/69/48/486966948.db2.gz YBDHFQXSFDBCBL-XHNCKOQMSA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@H](N)C(=O)N1C[C@@H](C)C[C@@H]1C 157748639 486967023 /nfs/dbraw/zinc/96/70/23/486967023.db2.gz YBDHFQXSFDBCBL-CIUDSAMLSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@@H](N)C(=O)NCCCC1CC1 157743730 486967065 /nfs/dbraw/zinc/96/70/65/486967065.db2.gz NYLJXIHXQFQIBO-SSDOTTSWSA-N 0 3 170.256 0.640 20 0 ACADHN C[C@H]1C[C@H]1CNC(=O)[C@H]1CCCCN1 157968387 486967580 /nfs/dbraw/zinc/96/75/80/486967580.db2.gz PRROEJZWSUUDPX-LPEHRKFASA-N 0 3 196.294 0.901 20 0 ACADHN CCC(CC)CNC(=O)CNC 157960786 486967597 /nfs/dbraw/zinc/96/75/97/486967597.db2.gz NQDROWQWLGCIBY-UHFFFAOYSA-N 0 3 172.272 0.758 20 0 ACADHN C[C@H]1C[C@@H]1CNC(=O)[C@H]1CCCCN1 157968075 486967647 /nfs/dbraw/zinc/96/76/47/486967647.db2.gz PRROEJZWSUUDPX-IVZWLZJFSA-N 0 3 196.294 0.901 20 0 ACADHN C[C@@H]1C[C@H]1CNC(=O)[C@H]1CCCCN1 157968229 486967756 /nfs/dbraw/zinc/96/77/56/486967756.db2.gz PRROEJZWSUUDPX-KXUCPTDWSA-N 0 3 196.294 0.901 20 0 ACADHN C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCCCN1 157967924 486967772 /nfs/dbraw/zinc/96/77/72/486967772.db2.gz PRROEJZWSUUDPX-OPRDCNLKSA-N 0 3 196.294 0.901 20 0 ACADHN CNCC(=O)NC[C@H](C)C1CC1 158008900 486968081 /nfs/dbraw/zinc/96/80/81/486968081.db2.gz JIWDWEYSRGYYGP-ZETCQYMHSA-N 0 3 170.256 0.368 20 0 ACADHN CNCC(=O)NC[C@@H](C)C1CC1 158009041 486968234 /nfs/dbraw/zinc/96/82/34/486968234.db2.gz JIWDWEYSRGYYGP-SSDOTTSWSA-N 0 3 170.256 0.368 20 0 ACADHN C[C@H](CNC(=O)C1(N)CC1)C1CC1 158003733 486968282 /nfs/dbraw/zinc/96/82/82/486968282.db2.gz XJOMHKLWVZEGON-SSDOTTSWSA-N 0 3 182.267 0.640 20 0 ACADHN C[C@@H](CNC(=O)C1(N)CC1)C1CC1 158003586 486968303 /nfs/dbraw/zinc/96/83/03/486968303.db2.gz XJOMHKLWVZEGON-ZETCQYMHSA-N 0 3 182.267 0.640 20 0 ACADHN COCCN(C)C[C@@H](C)OC 679851439 486970353 /nfs/dbraw/zinc/97/03/53/486970353.db2.gz UCSXZFQEHMAFRT-MRVPVSSYSA-N 0 3 161.245 0.600 20 0 ACADHN C[C@@H](CNc1ncc(F)cn1)N(C)C 158600177 486970652 /nfs/dbraw/zinc/97/06/52/486970652.db2.gz OWYNXSVMBVWNDL-ZETCQYMHSA-N 0 3 198.245 0.978 20 0 ACADHN COCCN(C)C[C@H](C)OC 679851440 486970734 /nfs/dbraw/zinc/97/07/34/486970734.db2.gz UCSXZFQEHMAFRT-QMMMGPOBSA-N 0 3 161.245 0.600 20 0 ACADHN CN[C@@H](C)C(=O)NCCOC(C)C 159131515 486971493 /nfs/dbraw/zinc/97/14/93/486971493.db2.gz CLEXIZGBSXEBLK-QMMMGPOBSA-N 0 3 188.271 0.136 20 0 ACADHN CC(C)OCCNC(=O)C(C)(C)N 159153654 486971574 /nfs/dbraw/zinc/97/15/74/486971574.db2.gz TWCMDAKYYOSSEV-UHFFFAOYSA-N 0 3 188.271 0.265 20 0 ACADHN OC[C@@H]1COCCN1CC1CCCC1 159251721 486971767 /nfs/dbraw/zinc/97/17/67/486971767.db2.gz XIMGUKQSXMUFHT-LLVKDONJSA-N 0 3 199.294 0.870 20 0 ACADHN CC(C)OCCNC(=O)C1(N)CC1 159151002 486971855 /nfs/dbraw/zinc/97/18/55/486971855.db2.gz AKLNNTZGUJGLLT-UHFFFAOYSA-N 0 3 186.255 0.019 20 0 ACADHN CC[C@H](N)C(=O)NCCOC(C)C 159126078 486971888 /nfs/dbraw/zinc/97/18/88/486971888.db2.gz SBPMLJBVLIZMTH-QMMMGPOBSA-N 0 3 188.271 0.265 20 0 ACADHN CC[C@@H](N)C(=O)NCCOC(C)C 159132494 486971909 /nfs/dbraw/zinc/97/19/09/486971909.db2.gz SBPMLJBVLIZMTH-MRVPVSSYSA-N 0 3 188.271 0.265 20 0 ACADHN CN[C@@H](C)C(=O)NCC(C)(C)OC 159164673 486972289 /nfs/dbraw/zinc/97/22/89/486972289.db2.gz XJKDPYZFKXLKQT-ZETCQYMHSA-N 0 3 188.271 0.136 20 0 ACADHN CO[C@@H](C)CN(C)[C@H]1CCOC1 679853129 486972420 /nfs/dbraw/zinc/97/24/20/486972420.db2.gz HYHYOBQLRVXEOQ-IUCAKERBSA-N 0 3 173.256 0.742 20 0 ACADHN CO[C@H](C)CN(C)[C@H]1CCOC1 679853127 486972667 /nfs/dbraw/zinc/97/26/67/486972667.db2.gz HYHYOBQLRVXEOQ-BDAKNGLRSA-N 0 3 173.256 0.742 20 0 ACADHN CO[C@@H](C)CN(C)[C@@H]1CCOC1 679853128 486972717 /nfs/dbraw/zinc/97/27/17/486972717.db2.gz HYHYOBQLRVXEOQ-DTWKUNHWSA-N 0 3 173.256 0.742 20 0 ACADHN CO[C@H](C)CN(C)[C@@H]1CCOC1 679853130 486972843 /nfs/dbraw/zinc/97/28/43/486972843.db2.gz HYHYOBQLRVXEOQ-RKDXNWHRSA-N 0 3 173.256 0.742 20 0 ACADHN CCOCCN(C)C[C@@H](C)OC 679861643 486976131 /nfs/dbraw/zinc/97/61/31/486976131.db2.gz LTPUDKPSHJRNBI-SECBINFHSA-N 0 3 175.272 0.990 20 0 ACADHN CO[C@H](C)CN1CCc2cn[nH]c2C1 679854907 486974509 /nfs/dbraw/zinc/97/45/09/486974509.db2.gz LWPCTKOTGDVEMJ-MRVPVSSYSA-N 0 3 195.266 0.803 20 0 ACADHN CO[C@@H](C)CN1CCc2cn[nH]c2C1 679854908 486974734 /nfs/dbraw/zinc/97/47/34/486974734.db2.gz LWPCTKOTGDVEMJ-QMMMGPOBSA-N 0 3 195.266 0.803 20 0 ACADHN C[C@H]1C[C@H](C)N(C(=O)CNC2CC2)C1 159625140 486974921 /nfs/dbraw/zinc/97/49/21/486974921.db2.gz GFJABIDLPKUIRR-IUCAKERBSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@@H]1C[C@@H](C)N(C(=O)CNC2CC2)C1 159625284 486975025 /nfs/dbraw/zinc/97/50/25/486975025.db2.gz GFJABIDLPKUIRR-RKDXNWHRSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1C[C@@H](C)N(C(=O)CNC2CC2)C1 159625422 486975305 /nfs/dbraw/zinc/97/53/05/486975305.db2.gz GFJABIDLPKUIRR-DTWKUNHWSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1C[C@@H](C)CN1C(=O)CNC1CC1 159624964 486975472 /nfs/dbraw/zinc/97/54/72/486975472.db2.gz GFJABIDLPKUIRR-BDAKNGLRSA-N 0 3 196.294 0.995 20 0 ACADHN CCOCCN(C)C[C@H](C)OC 679861644 486975752 /nfs/dbraw/zinc/97/57/52/486975752.db2.gz LTPUDKPSHJRNBI-VIFPVBQESA-N 0 3 175.272 0.990 20 0 ACADHN C[C@H]1OCC[C@H]1NCc1cnnn1C 160693977 486977586 /nfs/dbraw/zinc/97/75/86/486977586.db2.gz QGMMJPHSWUOVHD-VXNVDRBHSA-N 0 3 196.254 0.082 20 0 ACADHN COCCN1CCSC[C@H]1CO 680072445 486979522 /nfs/dbraw/zinc/97/95/22/486979522.db2.gz AENRLNADQPZQNW-MRVPVSSYSA-N 0 3 191.296 0.043 20 0 ACADHN OCCN1CCC([C@H]2CCOC2)CC1 680088973 486979840 /nfs/dbraw/zinc/97/98/40/486979840.db2.gz XKBLJLQLVGTKOP-NSHDSACASA-N 0 3 199.294 0.727 20 0 ACADHN OCCN1CCC([C@@H]2CCOC2)CC1 680088972 486980050 /nfs/dbraw/zinc/98/00/50/486980050.db2.gz XKBLJLQLVGTKOP-LLVKDONJSA-N 0 3 199.294 0.727 20 0 ACADHN COCCN1CCSC[C@@H]1CO 680072446 486980355 /nfs/dbraw/zinc/98/03/55/486980355.db2.gz AENRLNADQPZQNW-QMMMGPOBSA-N 0 3 191.296 0.043 20 0 ACADHN CCn1nccc1CN[C@@H]1CCOC1 162713761 486984309 /nfs/dbraw/zinc/98/43/09/486984309.db2.gz UKGKKDGVRFESMQ-SECBINFHSA-N 0 3 195.266 0.782 20 0 ACADHN C[C@@]1(NC(=O)CNC2CC2)CCOC1 163294200 486984888 /nfs/dbraw/zinc/98/48/88/486984888.db2.gz BMQBKGXBDCDYFS-SNVBAGLBSA-N 0 3 198.266 0.034 20 0 ACADHN C[C@]1(NC(=O)CNC2CC2)CCOC1 163294093 486985600 /nfs/dbraw/zinc/98/56/00/486985600.db2.gz BMQBKGXBDCDYFS-JTQLQIEISA-N 0 3 198.266 0.034 20 0 ACADHN CN(CCOCC1CC1)C1CC(O)C1 680581259 486987898 /nfs/dbraw/zinc/98/78/98/486987898.db2.gz QLBSIGVGVUVCHF-UHFFFAOYSA-N 0 3 199.294 0.868 20 0 ACADHN CN(CCn1cccn1)C1CC(O)C1 680580649 486987947 /nfs/dbraw/zinc/98/79/47/486987947.db2.gz AOHBSPVBTHMNAF-UHFFFAOYSA-N 0 3 195.266 0.338 20 0 ACADHN CN(CCn1ccnc1)C1CC(O)C1 680581206 486987999 /nfs/dbraw/zinc/98/79/99/486987999.db2.gz OZGSHUYHFWFQJK-UHFFFAOYSA-N 0 3 195.266 0.338 20 0 ACADHN CC[C@@H](O)CNCc1ccnn1CC 164869363 486988888 /nfs/dbraw/zinc/98/88/88/486988888.db2.gz CTEJZTJYQNGPNV-SNVBAGLBSA-N 0 3 197.282 0.764 20 0 ACADHN CCCn1nccc1CN[C@H](C)CO 164831561 486988923 /nfs/dbraw/zinc/98/89/23/486988923.db2.gz QLJWJKWVNMDNGI-SECBINFHSA-N 0 3 197.282 0.764 20 0 ACADHN CCCn1nccc1CN[C@@H](C)CO 164831449 486989080 /nfs/dbraw/zinc/98/90/80/486989080.db2.gz QLJWJKWVNMDNGI-VIFPVBQESA-N 0 3 197.282 0.764 20 0 ACADHN CCCn1nccc1CNC[C@@H](C)O 164831196 486989609 /nfs/dbraw/zinc/98/96/09/486989609.db2.gz ZSZGMOFVVJQCDQ-SECBINFHSA-N 0 3 197.282 0.764 20 0 ACADHN CC[C@H](O)CNCc1ccnn1CC 164869235 486989779 /nfs/dbraw/zinc/98/97/79/486989779.db2.gz CTEJZTJYQNGPNV-JTQLQIEISA-N 0 3 197.282 0.764 20 0 ACADHN CCCn1nccc1CNC[C@H](C)O 164831307 486989837 /nfs/dbraw/zinc/98/98/37/486989837.db2.gz ZSZGMOFVVJQCDQ-VIFPVBQESA-N 0 3 197.282 0.764 20 0 ACADHN CCN(CCC1CC1)[C@@H]1CCNC1=O 680636760 486989893 /nfs/dbraw/zinc/98/98/93/486989893.db2.gz WLCLOPKXKSSRDX-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CCN(CCC1CC1)[C@H]1CCNC1=O 680636757 486990518 /nfs/dbraw/zinc/99/05/18/486990518.db2.gz WLCLOPKXKSSRDX-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN CC(C)(C)CCCNC(=O)CN 165319714 486990565 /nfs/dbraw/zinc/99/05/65/486990565.db2.gz XCUPVXFCHWTCNE-UHFFFAOYSA-N 0 3 172.272 0.888 20 0 ACADHN Cc1n[nH]c(C)c1CN(C)C[C@H](C)O 680672075 486991161 /nfs/dbraw/zinc/99/11/61/486991161.db2.gz PDFOHYQFPNMVOL-ZETCQYMHSA-N 0 3 197.282 0.839 20 0 ACADHN CCN1CCn2cncc2C1 165457199 486991552 /nfs/dbraw/zinc/99/15/52/486991552.db2.gz YUQLIIGAGQVKMB-UHFFFAOYSA-N 0 3 151.213 0.719 20 0 ACADHN Cc1cncc(N(C)CCN(C)C)n1 680829443 486993987 /nfs/dbraw/zinc/99/39/87/486993987.db2.gz KNJWHIZQHWNQLY-UHFFFAOYSA-N 0 3 194.282 0.783 20 0 ACADHN CC[C@@H]1CCN(C(=O)[C@H](C)NC)C1 166150583 486994220 /nfs/dbraw/zinc/99/42/20/486994220.db2.gz AXKGZWAPHQBTEA-DTWKUNHWSA-N 0 3 184.283 0.853 20 0 ACADHN CC[C@H]1CCN(C(=O)[C@H](C)NC)C1 166150702 486994231 /nfs/dbraw/zinc/99/42/31/486994231.db2.gz AXKGZWAPHQBTEA-IUCAKERBSA-N 0 3 184.283 0.853 20 0 ACADHN Cc1cncc(N2CC(N(C)C)C2)n1 680830602 486994286 /nfs/dbraw/zinc/99/42/86/486994286.db2.gz WSDSNOUGTKBINK-UHFFFAOYSA-N 0 3 192.266 0.535 20 0 ACADHN CC[C@@H](N)C(=O)NC[C@@H]1C[C@H]1C 167023153 486997015 /nfs/dbraw/zinc/99/70/15/486997015.db2.gz WOKOADDHEZDEGB-GJMOJQLCSA-N 0 3 170.256 0.496 20 0 ACADHN CO[C@@H](C)CNCc1cnn(C)c1 167027802 486997059 /nfs/dbraw/zinc/99/70/59/486997059.db2.gz AKRBUEWISNIAIB-QMMMGPOBSA-N 0 3 183.255 0.545 20 0 ACADHN CC(C)NCC(=O)NC[C@H]1C[C@@H]1C 167009352 486997104 /nfs/dbraw/zinc/99/71/04/486997104.db2.gz KAHNFTXBCHGFMJ-DTWKUNHWSA-N 0 3 184.283 0.757 20 0 ACADHN CC(C)NCC(=O)NC[C@H]1C[C@H]1C 167009244 486997157 /nfs/dbraw/zinc/99/71/57/486997157.db2.gz KAHNFTXBCHGFMJ-RKDXNWHRSA-N 0 3 184.283 0.757 20 0 ACADHN CO[C@H](C)CNCc1cnn(C)c1 167027909 486997166 /nfs/dbraw/zinc/99/71/66/486997166.db2.gz AKRBUEWISNIAIB-MRVPVSSYSA-N 0 3 183.255 0.545 20 0 ACADHN CC(C)NCC(=O)NC[C@@H]1C[C@H]1C 167009433 486997247 /nfs/dbraw/zinc/99/72/47/486997247.db2.gz KAHNFTXBCHGFMJ-BDAKNGLRSA-N 0 3 184.283 0.757 20 0 ACADHN CC[C@@H](N)C(=O)NC[C@H]1C[C@H]1C 167023243 486997330 /nfs/dbraw/zinc/99/73/30/486997330.db2.gz WOKOADDHEZDEGB-BWZBUEFSSA-N 0 3 170.256 0.496 20 0 ACADHN CC(C)NCC(=O)NC[C@@H]1C[C@@H]1C 167009520 486997394 /nfs/dbraw/zinc/99/73/94/486997394.db2.gz KAHNFTXBCHGFMJ-IUCAKERBSA-N 0 3 184.283 0.757 20 0 ACADHN CO[C@@H](C)CNCc1ccnn1C 167073624 486998092 /nfs/dbraw/zinc/99/80/92/486998092.db2.gz ACDYAIVDGOHXCU-QMMMGPOBSA-N 0 3 183.255 0.545 20 0 ACADHN CO[C@H](C)CNCc1ccnn1C 167073740 486998142 /nfs/dbraw/zinc/99/81/42/486998142.db2.gz ACDYAIVDGOHXCU-MRVPVSSYSA-N 0 3 183.255 0.545 20 0 ACADHN CO[C@H](C)CNCc1cn(C)nc1C 167137021 486999042 /nfs/dbraw/zinc/99/90/42/486999042.db2.gz IWMPBFYBZCEHFN-MRVPVSSYSA-N 0 3 197.282 0.853 20 0 ACADHN CO[C@@H](C)CNCc1cn(C)nc1C 167137130 486999383 /nfs/dbraw/zinc/99/93/83/486999383.db2.gz IWMPBFYBZCEHFN-QMMMGPOBSA-N 0 3 197.282 0.853 20 0 ACADHN CN(C)C(=O)CN(C)C(C)(C)C 167714258 487000816 /nfs/dbraw/zinc/00/08/16/487000816.db2.gz PTDLZELENDGTSA-UHFFFAOYSA-N 0 3 172.272 0.805 20 0 ACADHN C[C@@H](O)C[C@@H]1COCCN1CC1CC1 680990392 487002185 /nfs/dbraw/zinc/00/21/85/487002185.db2.gz SOFPCEIYHXXVPA-MWLCHTKSSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@@H](O)C[C@H]1COCCN1CC1CC1 680990391 487002203 /nfs/dbraw/zinc/00/22/03/487002203.db2.gz SOFPCEIYHXXVPA-KOLCDFICSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@H](O)C[C@H]1COCCN1CC1CC1 680990394 487002317 /nfs/dbraw/zinc/00/23/17/487002317.db2.gz SOFPCEIYHXXVPA-ONGXEEELSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@H](O)C[C@@H]1COCCN1CC1CC1 680990389 487002388 /nfs/dbraw/zinc/00/23/88/487002388.db2.gz SOFPCEIYHXXVPA-GXSJLCMTSA-N 0 3 199.294 0.868 20 0 ACADHN CN(C)CCNC(=O)C1=CCOCC1 681126122 487010488 /nfs/dbraw/zinc/01/04/88/487010488.db2.gz UOEFSAXXARRFDL-UHFFFAOYSA-N 0 3 198.266 0.011 20 0 ACADHN CCNC(=O)N(C)CCN(C)C1CC1 681127699 487011517 /nfs/dbraw/zinc/01/15/17/487011517.db2.gz MOYPKRNTDVGXKU-UHFFFAOYSA-N 0 3 199.298 0.742 20 0 ACADHN CN(C)C(=O)N(C)CCN(C)C1CC1 681137023 487011754 /nfs/dbraw/zinc/01/17/54/487011754.db2.gz CZYCIPHLKNOLRY-UHFFFAOYSA-N 0 3 199.298 0.694 20 0 ACADHN OCCOCCN1CCCC2(CC2)C1 681169005 487012586 /nfs/dbraw/zinc/01/25/86/487012586.db2.gz KRGSVHUJIFVTPT-UHFFFAOYSA-N 0 3 199.294 0.871 20 0 ACADHN CN(CCN(C)C1CC1)C(=O)C1CC1 681202204 487013296 /nfs/dbraw/zinc/01/32/96/487013296.db2.gz MGEPIDDEQSFEQN-UHFFFAOYSA-N 0 3 196.294 0.949 20 0 ACADHN CN(C)CCNC(=O)Cc1ccoc1 681223245 487014474 /nfs/dbraw/zinc/01/44/74/487014474.db2.gz QMOWDZNEAAISHA-UHFFFAOYSA-N 0 3 196.250 0.500 20 0 ACADHN COCCN1CCC(OC)CC1 200981398 487016772 /nfs/dbraw/zinc/01/67/72/487016772.db2.gz LLWAZJSMQLITGQ-UHFFFAOYSA-N 0 3 173.256 0.744 20 0 ACADHN CC(C)CN1CC(N2CC[C@@H](O)C2)C1 201475214 487017272 /nfs/dbraw/zinc/01/72/72/487017272.db2.gz ZDKSKXGUORECHL-LLVKDONJSA-N 0 3 198.310 0.393 20 0 ACADHN CC(C)CC[C@@H](N)C(=O)N(C)C 211332270 487021034 /nfs/dbraw/zinc/02/10/34/487021034.db2.gz ICFWWWOVLFZUKU-MRVPVSSYSA-N 0 3 172.272 0.838 20 0 ACADHN CC[C@H](C(=O)N(C)CC)N(C)C 209884207 487021079 /nfs/dbraw/zinc/02/10/79/487021079.db2.gz BIELQIAXNBOKLW-MRVPVSSYSA-N 0 3 172.272 0.805 20 0 ACADHN CC(C)CC[C@H](N)C(=O)N(C)C 211332202 487021269 /nfs/dbraw/zinc/02/12/69/487021269.db2.gz ICFWWWOVLFZUKU-QMMMGPOBSA-N 0 3 172.272 0.838 20 0 ACADHN CC[C@@H](N)C(=O)Nc1cc(C)n(C)n1 211298903 487021508 /nfs/dbraw/zinc/02/15/08/487021508.db2.gz QYSMFQIMLHYCER-SSDOTTSWSA-N 0 3 196.254 0.404 20 0 ACADHN COCC1=CCN(CCO)CC1 681471899 487024203 /nfs/dbraw/zinc/02/42/03/487024203.db2.gz MOWBWWGSDUGKHX-UHFFFAOYSA-N 0 3 171.240 0.257 20 0 ACADHN CNC(=O)c1cc2c(s1)CCNC2 213959360 487024257 /nfs/dbraw/zinc/02/42/57/487024257.db2.gz OXSVZNWPIYKGIK-UHFFFAOYSA-N 0 3 196.275 0.753 20 0 ACADHN COCC1=CCN(CCCO)CC1 681471506 487024548 /nfs/dbraw/zinc/02/45/48/487024548.db2.gz DOQXRXOEZDQJQF-UHFFFAOYSA-N 0 3 185.267 0.647 20 0 ACADHN COCCN1CC=C(COC)CC1 681471807 487024603 /nfs/dbraw/zinc/02/46/03/487024603.db2.gz KPJWHMBSHAMRNI-UHFFFAOYSA-N 0 3 185.267 0.911 20 0 ACADHN Cc1nccnc1NCCN(C)C 214433943 487024735 /nfs/dbraw/zinc/02/47/35/487024735.db2.gz IWTSCNRDPDGOCR-UHFFFAOYSA-N 0 3 180.255 0.759 20 0 ACADHN CN(Cc1cnc[nH]1)C[C@@H]1CCOC1 681507359 487025264 /nfs/dbraw/zinc/02/52/64/487025264.db2.gz OYQQTLRCVHIEHN-VIFPVBQESA-N 0 3 195.266 0.878 20 0 ACADHN OCCN1CCOCC2(CCCC2)C1 681476191 487025499 /nfs/dbraw/zinc/02/54/99/487025499.db2.gz NTLYIWQBBYCARM-UHFFFAOYSA-N 0 3 199.294 0.871 20 0 ACADHN CN(Cc1cnc[nH]1)C[C@H]1CCOC1 681507358 487025671 /nfs/dbraw/zinc/02/56/71/487025671.db2.gz OYQQTLRCVHIEHN-SECBINFHSA-N 0 3 195.266 0.878 20 0 ACADHN CN1CCNc2ncccc2C1 214959284 487026115 /nfs/dbraw/zinc/02/61/15/487026115.db2.gz SSOGRSKWGKSPAX-UHFFFAOYSA-N 0 3 163.224 0.939 20 0 in-vitro ACADHN Cc1nc(C(=O)NCCN(C)C)co1 681579252 487026551 /nfs/dbraw/zinc/02/65/51/487026551.db2.gz WLISTZZWOIFMRQ-UHFFFAOYSA-N 0 3 197.238 0.274 20 0 ACADHN FCCCN1CC[C@H](n2cncn2)C1 681604262 487027144 /nfs/dbraw/zinc/02/71/44/487027144.db2.gz SCFOODAFBLZYLP-VIFPVBQESA-N 0 3 198.245 0.885 20 0 ACADHN COCCN1CC[C@H](n2cncn2)C1 681604450 487027307 /nfs/dbraw/zinc/02/73/07/487027307.db2.gz DIWXOICSLCWAOC-VIFPVBQESA-N 0 3 196.254 0.171 20 0 ACADHN FCCCN1CC[C@@H](n2cncn2)C1 681604261 487027695 /nfs/dbraw/zinc/02/76/95/487027695.db2.gz SCFOODAFBLZYLP-SECBINFHSA-N 0 3 198.245 0.885 20 0 ACADHN COCCN1CC[C@@H](n2cncn2)C1 681604449 487027756 /nfs/dbraw/zinc/02/77/56/487027756.db2.gz DIWXOICSLCWAOC-SECBINFHSA-N 0 3 196.254 0.171 20 0 ACADHN Cc1nnnn1CCN1CCCCC1 681649124 487028625 /nfs/dbraw/zinc/02/86/25/487028625.db2.gz MJIMZGWKYSXJDL-UHFFFAOYSA-N 0 3 195.270 0.467 20 0 ACADHN OCCN1CCC[C@@H](OCC2CC2)C1 681696910 487032351 /nfs/dbraw/zinc/03/23/51/487032351.db2.gz XLPHHZWWISXZTP-LLVKDONJSA-N 0 3 199.294 0.870 20 0 ACADHN O[C@]1(CN2CCC2)CCCOC1 221240964 487031953 /nfs/dbraw/zinc/03/19/53/487031953.db2.gz MQJRUPSTOZVGEJ-VIFPVBQESA-N 0 3 171.240 0.234 20 0 ACADHN OCCN1CCC[C@H](OCC2CC2)C1 681696912 487032210 /nfs/dbraw/zinc/03/22/10/487032210.db2.gz XLPHHZWWISXZTP-NSHDSACASA-N 0 3 199.294 0.870 20 0 ACADHN O[C@@]1(CN2CCC2)CCCOC1 221241029 487032158 /nfs/dbraw/zinc/03/21/58/487032158.db2.gz MQJRUPSTOZVGEJ-SECBINFHSA-N 0 3 171.240 0.234 20 0 ACADHN OC1(CN2CCC2)CCSCC1 221371107 487032890 /nfs/dbraw/zinc/03/28/90/487032890.db2.gz ZKPNGQQDKZDGRN-UHFFFAOYSA-N 0 3 187.308 0.950 20 0 ACADHN CN[C@@H](C)C(=O)N1C[C@H](C)C[C@@H]1C 222565901 487033949 /nfs/dbraw/zinc/03/39/49/487033949.db2.gz FDUVEJUYABEXCF-VGMNWLOBSA-N 0 3 184.283 0.851 20 0 ACADHN CN[C@@H](C)C(=O)N1C[C@@H](C)C[C@@H]1C 222565821 487034020 /nfs/dbraw/zinc/03/40/20/487034020.db2.gz FDUVEJUYABEXCF-CIUDSAMLSA-N 0 3 184.283 0.851 20 0 ACADHN CC(C)CNC(=O)[C@@H](N)CC1CC1 222889170 487034295 /nfs/dbraw/zinc/03/42/95/487034295.db2.gz PYHVLINKJOLNTC-VIFPVBQESA-N 0 3 184.283 0.886 20 0 ACADHN CO[C@@H](C)CNCc1cncn1C 223875127 487035710 /nfs/dbraw/zinc/03/57/10/487035710.db2.gz JEKLVGOHELENOK-QMMMGPOBSA-N 0 3 183.255 0.545 20 0 ACADHN CO[C@H](C)CNC(=O)CNC(C)C 223738842 487035718 /nfs/dbraw/zinc/03/57/18/487035718.db2.gz MLAOJHLXPUMYGI-MRVPVSSYSA-N 0 3 188.271 0.136 20 0 ACADHN CO[C@H](C)CNCc1cncn1C 223875180 487035732 /nfs/dbraw/zinc/03/57/32/487035732.db2.gz JEKLVGOHELENOK-MRVPVSSYSA-N 0 3 183.255 0.545 20 0 ACADHN CO[C@@H](C)CNC(=O)CNC(C)C 223738788 487035976 /nfs/dbraw/zinc/03/59/76/487035976.db2.gz MLAOJHLXPUMYGI-QMMMGPOBSA-N 0 3 188.271 0.136 20 0 ACADHN CO[C@@H](C)CNCc1ccc(CO)o1 223967420 487036795 /nfs/dbraw/zinc/03/67/95/487036795.db2.gz PMBUHNGJHOFSQQ-QMMMGPOBSA-N 0 3 199.250 0.896 20 0 ACADHN CO[C@H](C)CNCc1ccc(CO)o1 223967476 487036912 /nfs/dbraw/zinc/03/69/12/487036912.db2.gz PMBUHNGJHOFSQQ-MRVPVSSYSA-N 0 3 199.250 0.896 20 0 ACADHN CO[C@@H](C)CNCc1c[nH]nc1C 223907608 487037078 /nfs/dbraw/zinc/03/70/78/487037078.db2.gz UJCFLLODBYSSGC-ZETCQYMHSA-N 0 3 183.255 0.843 20 0 ACADHN CO[C@H](C)CNCc1c[nH]nc1C 223907663 487037358 /nfs/dbraw/zinc/03/73/58/487037358.db2.gz UJCFLLODBYSSGC-SSDOTTSWSA-N 0 3 183.255 0.843 20 0 ACADHN CC[C@@]1(O)CCN(Cc2cn[nH]c2)C1 681754708 487038544 /nfs/dbraw/zinc/03/85/44/487038544.db2.gz IPSFQPKESOXCLJ-SNVBAGLBSA-N 0 3 195.266 0.757 20 0 ACADHN CC[C@]1(O)CCN(Cc2cn[nH]c2)C1 681754707 487038884 /nfs/dbraw/zinc/03/88/84/487038884.db2.gz IPSFQPKESOXCLJ-JTQLQIEISA-N 0 3 195.266 0.757 20 0 ACADHN Cc1cc(C(=O)NCCN(C)C)co1 681945316 487039639 /nfs/dbraw/zinc/03/96/39/487039639.db2.gz XFUAOJVXUREBIH-UHFFFAOYSA-N 0 3 196.250 0.879 20 0 ACADHN CC[C@@H](N)C(=O)NC[C@@H]1CC1(C)C 225286474 487041814 /nfs/dbraw/zinc/04/18/14/487041814.db2.gz DGELIFPPADNTFN-JGVFFNPUSA-N 0 3 184.283 0.886 20 0 ACADHN COCCCCCNC(=O)[C@@H](C)N 225403736 487042281 /nfs/dbraw/zinc/04/22/81/487042281.db2.gz UJGHTFRPQYRDEJ-MRVPVSSYSA-N 0 3 188.271 0.267 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H]1C[C@H]1CC 225286344 487042286 /nfs/dbraw/zinc/04/22/86/487042286.db2.gz VOVCDKWDMOUQFY-BWZBUEFSSA-N 0 3 170.256 0.638 20 0 ACADHN CC[C@@H](N)C(=O)NC[C@H]1CC1(C)C 225286486 487042306 /nfs/dbraw/zinc/04/23/06/487042306.db2.gz DGELIFPPADNTFN-HTQZYQBOSA-N 0 3 184.283 0.886 20 0 ACADHN COCCCCCNC(=O)[C@H](C)N 225403486 487042385 /nfs/dbraw/zinc/04/23/85/487042385.db2.gz UJGHTFRPQYRDEJ-QMMMGPOBSA-N 0 3 188.271 0.267 20 0 ACADHN CC[C@H](N)C(=O)N[C@H]1CCSC1 225490503 487042911 /nfs/dbraw/zinc/04/29/11/487042911.db2.gz RVGICEFFSWWSAU-BQBZGAKWSA-N 0 3 188.296 0.345 20 0 ACADHN CC[C@H](N)C(=O)NC[C@H]1CC1(C)C 225470889 487042923 /nfs/dbraw/zinc/04/29/23/487042923.db2.gz DGELIFPPADNTFN-SFYZADRCSA-N 0 3 184.283 0.886 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H]1C[C@H]1CC 225467124 487042943 /nfs/dbraw/zinc/04/29/43/487042943.db2.gz VOVCDKWDMOUQFY-GJMOJQLCSA-N 0 3 170.256 0.638 20 0 ACADHN CCC1(CNC(=O)CN)CCC1 225453968 487042961 /nfs/dbraw/zinc/04/29/61/487042961.db2.gz ORQHVNACYCKQEH-UHFFFAOYSA-N 0 3 170.256 0.642 20 0 ACADHN CCC1(CNC(=O)[C@@H](C)N)CC1 225452049 487043021 /nfs/dbraw/zinc/04/30/21/487043021.db2.gz WUKAAWQPRBTUHA-SSDOTTSWSA-N 0 3 170.256 0.640 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H]1CCSC1 225490466 487043180 /nfs/dbraw/zinc/04/31/80/487043180.db2.gz RVGICEFFSWWSAU-RQJHMYQMSA-N 0 3 188.296 0.345 20 0 ACADHN CC(C)[C@H](N)C(=O)NCC1(C)CC1 225528702 487043233 /nfs/dbraw/zinc/04/32/33/487043233.db2.gz KLVLBTANRBZWQS-QMMMGPOBSA-N 0 3 184.283 0.886 20 0 ACADHN CCC1(CNC(=O)[C@H](C)N)CC1 225451759 487043263 /nfs/dbraw/zinc/04/32/63/487043263.db2.gz WUKAAWQPRBTUHA-ZETCQYMHSA-N 0 3 170.256 0.640 20 0 ACADHN CC(C)[C@@H](N)C(=O)NCC1(C)CC1 225528671 487043274 /nfs/dbraw/zinc/04/32/74/487043274.db2.gz KLVLBTANRBZWQS-MRVPVSSYSA-N 0 3 184.283 0.886 20 0 ACADHN CC[C@@H]1C[C@H]1NC(=O)[C@@H](N)C(C)C 225467274 487043349 /nfs/dbraw/zinc/04/33/49/487043349.db2.gz QMXAWTXPUBVNIL-HLTSFMKQSA-N 0 3 184.283 0.884 20 0 ACADHN CC[C@H](N)C(=O)NC[C@@H]1CC1(C)C 225470852 487043493 /nfs/dbraw/zinc/04/34/93/487043493.db2.gz DGELIFPPADNTFN-YUMQZZPRSA-N 0 3 184.283 0.886 20 0 ACADHN CC(C)C1(CNC(=O)[C@H](C)N)CC1 225520988 487043572 /nfs/dbraw/zinc/04/35/72/487043572.db2.gz UKZKYNOZIFMGDE-QMMMGPOBSA-N 0 3 184.283 0.886 20 0 ACADHN CC(C)C1(CNC(=O)[C@@H](C)N)CC1 225521265 487043370 /nfs/dbraw/zinc/04/33/70/487043370.db2.gz UKZKYNOZIFMGDE-MRVPVSSYSA-N 0 3 184.283 0.886 20 0 ACADHN CCCC1(CNC(=O)CN)CC1 225561756 487044369 /nfs/dbraw/zinc/04/43/69/487044369.db2.gz GYSHAMOSOJKYQX-UHFFFAOYSA-N 0 3 170.256 0.642 20 0 ACADHN CCC[C@@H]1C[C@H]1NC(=O)[C@H](C)N 225543081 487044380 /nfs/dbraw/zinc/04/43/80/487044380.db2.gz MEJGRUXNYXKKOA-XLPZGREQSA-N 0 3 170.256 0.638 20 0 ACADHN CCC1(CNC(=O)CNC)CCC1 226344175 487049605 /nfs/dbraw/zinc/04/96/05/487049605.db2.gz VXMQQSSSUSWWAY-UHFFFAOYSA-N 0 3 184.283 0.902 20 0 ACADHN CCC[C@@H]1C[C@H]1NC(=O)[C@@H](C)N 225543979 487044495 /nfs/dbraw/zinc/04/44/95/487044495.db2.gz MEJGRUXNYXKKOA-BWZBUEFSSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@H]1C[C@H]1C(=O)N1C[C@@H](C)NC[C@@H]1C 226116549 487045348 /nfs/dbraw/zinc/04/53/48/487045348.db2.gz ZNNOORVDDFAKQT-QCLAVDOMSA-N 0 3 196.294 0.851 20 0 ACADHN CN(CC1(CO)CC1)[C@H]1CCCOC1 682090675 487045416 /nfs/dbraw/zinc/04/54/16/487045416.db2.gz VDACZIPVCBEUFG-JTQLQIEISA-N 0 3 199.294 0.870 20 0 ACADHN CN(CC1(CO)CC1)[C@@H]1CCCOC1 682090676 487045439 /nfs/dbraw/zinc/04/54/39/487045439.db2.gz VDACZIPVCBEUFG-SNVBAGLBSA-N 0 3 199.294 0.870 20 0 ACADHN C[C@H]1CN[C@H](C)CN1C(=O)[C@@H]1C[C@H]1C 226116542 487045478 /nfs/dbraw/zinc/04/54/78/487045478.db2.gz ZNNOORVDDFAKQT-DOLQZWNJSA-N 0 3 196.294 0.851 20 0 ACADHN CNCC(=O)NCCCCCOC 226327122 487048492 /nfs/dbraw/zinc/04/84/92/487048492.db2.gz ZLHDNRJKBSHLGN-UHFFFAOYSA-N 0 3 188.271 0.139 20 0 ACADHN CCC1(CNC(=O)CNC)CC1 226343608 487048736 /nfs/dbraw/zinc/04/87/36/487048736.db2.gz KNLNPZVHMRJBEJ-UHFFFAOYSA-N 0 3 170.256 0.512 20 0 ACADHN CN1CCN(C[C@H]2CCOC2)CC1 226318308 487048827 /nfs/dbraw/zinc/04/88/27/487048827.db2.gz WMLKGVTXOYISKH-SNVBAGLBSA-N 0 3 184.283 0.270 20 0 ACADHN CN1CCN(C[C@@H]2CCOC2)CC1 226318300 487048895 /nfs/dbraw/zinc/04/88/95/487048895.db2.gz WMLKGVTXOYISKH-JTQLQIEISA-N 0 3 184.283 0.270 20 0 ACADHN CC[C@@H]1C[C@H]1NC(=O)CNC 226349856 487048907 /nfs/dbraw/zinc/04/89/07/487048907.db2.gz SPETVDPXSJWPSU-RNFRBKRXSA-N 0 3 156.229 0.121 20 0 ACADHN NC1(C(=O)NCCOCC2CC2)CC1 226325762 487049066 /nfs/dbraw/zinc/04/90/66/487049066.db2.gz LFCMFIJUBLYFSW-UHFFFAOYSA-N 0 3 198.266 0.021 20 0 ACADHN CCC1(CNC(=O)C2(N)CC2)CC1 226343377 487049239 /nfs/dbraw/zinc/04/92/39/487049239.db2.gz MJNVHWKIYOQNSM-UHFFFAOYSA-N 0 3 182.267 0.784 20 0 ACADHN CC[C@@H]1C[C@H]1NC(=O)C1(N)CC1 226349215 487049622 /nfs/dbraw/zinc/04/96/22/487049622.db2.gz UKCUBXQUARFZQE-RNFRBKRXSA-N 0 3 168.240 0.392 20 0 ACADHN CNCC(=O)NC[C@H]1CC1(C)C 226351164 487049917 /nfs/dbraw/zinc/04/99/17/487049917.db2.gz YGYYDQBHLYQHLS-SSDOTTSWSA-N 0 3 170.256 0.368 20 0 ACADHN CNCC(=O)NCC1(C)CC1 226372951 487050003 /nfs/dbraw/zinc/05/00/03/487050003.db2.gz NAMQVIIZGBDNIF-UHFFFAOYSA-N 0 3 156.229 0.122 20 0 ACADHN CNCC(=O)NC[C@@H]1CC1(C)C 226351159 487050108 /nfs/dbraw/zinc/05/01/08/487050108.db2.gz YGYYDQBHLYQHLS-ZETCQYMHSA-N 0 3 170.256 0.368 20 0 ACADHN CCC[C@@H]1C[C@H]1NC(=O)C1(N)CC1 226378678 487050203 /nfs/dbraw/zinc/05/02/03/487050203.db2.gz XMUQJRYDEAMRRV-HTQZYQBOSA-N 0 3 182.267 0.783 20 0 ACADHN CNCC(=O)NCC1(C(C)C)CC1 226371169 487050417 /nfs/dbraw/zinc/05/04/17/487050417.db2.gz XFIDGFXNSNUVRJ-UHFFFAOYSA-N 0 3 184.283 0.758 20 0 ACADHN CCCC1(CNC(=O)CNC)CC1 226384956 487051037 /nfs/dbraw/zinc/05/10/37/487051037.db2.gz OQQUQNLKEWUBCQ-UHFFFAOYSA-N 0 3 184.283 0.902 20 0 ACADHN CCC[C@@H]1C[C@H]1NC(=O)CNC 226379185 487051299 /nfs/dbraw/zinc/05/12/99/487051299.db2.gz RGEFWRWOVABZEU-HTQZYQBOSA-N 0 3 170.256 0.511 20 0 ACADHN CC(=O)CN1CC[C@H](C)[C@@H]1CO 227056207 487053720 /nfs/dbraw/zinc/05/37/20/487053720.db2.gz RBJBJANYDMUKKK-CBAPKCEASA-N 0 3 171.240 0.278 20 0 ACADHN CCc1nn(C)cc1NC(=O)[C@@H](C)N 226705137 487053855 /nfs/dbraw/zinc/05/38/55/487053855.db2.gz HMPRSPSMAXLZSN-ZCFIWIBFSA-N 0 3 196.254 0.268 20 0 ACADHN CC(=O)CN1CC[C@@H](C)[C@@H]1CO 227056204 487054002 /nfs/dbraw/zinc/05/40/02/487054002.db2.gz RBJBJANYDMUKKK-APPZFPTMSA-N 0 3 171.240 0.278 20 0 ACADHN Cc1cncc(CNC[C@H](C)O)c1 228681867 487060547 /nfs/dbraw/zinc/06/05/47/487060547.db2.gz GSRVSIKPIUZTPL-VIFPVBQESA-N 0 3 180.251 0.860 20 0 ACADHN Cc1cncc(CNC[C@@H](C)O)c1 228681854 487060687 /nfs/dbraw/zinc/06/06/87/487060687.db2.gz GSRVSIKPIUZTPL-SECBINFHSA-N 0 3 180.251 0.860 20 0 ACADHN Cc1cncc(CNCCC(N)=O)c1 228681940 487060948 /nfs/dbraw/zinc/06/09/48/487060948.db2.gz GWHYCLKIJQQKHY-UHFFFAOYSA-N 0 3 193.250 0.355 20 0 ACADHN CN[C@@H](C)C(=O)NC[C@@H]1C[C@@H]1C 228717605 487061322 /nfs/dbraw/zinc/06/13/22/487061322.db2.gz MSXSSGYWIKZZKQ-FXQIFTODSA-N 0 3 170.256 0.367 20 0 ACADHN CN[C@@H](C)C(=O)NC[C@H]1C[C@@H]1C 228717625 487061422 /nfs/dbraw/zinc/06/14/22/487061422.db2.gz MSXSSGYWIKZZKQ-BIIVOSGPSA-N 0 3 170.256 0.367 20 0 ACADHN CC1(C)C[C@@H]1CNC(=O)CNC1CC1 229086622 487063956 /nfs/dbraw/zinc/06/39/56/487063956.db2.gz ZLKOVHHHUWDZMG-MRVPVSSYSA-N 0 3 196.294 0.901 20 0 ACADHN CC1(C)C[C@H]1CNC(=O)CNC1CC1 229086636 487064112 /nfs/dbraw/zinc/06/41/12/487064112.db2.gz ZLKOVHHHUWDZMG-QMMMGPOBSA-N 0 3 196.294 0.901 20 0 ACADHN CC(C)=CCNC(=O)C(C)(C)N 229053952 487064600 /nfs/dbraw/zinc/06/46/00/487064600.db2.gz AOLSJKRSHKWMQD-UHFFFAOYSA-N 0 3 170.256 0.806 20 0 ACADHN CC[C@@H]1C[C@H]1NC(=O)CNC1CC1 229086587 487064744 /nfs/dbraw/zinc/06/47/44/487064744.db2.gz UBDXNCUNGCTDCL-VXNVDRBHSA-N 0 3 182.267 0.653 20 0 ACADHN C[C@@H]1C[C@H]1CN1CCCC[C@@H]1C(N)=O 682672407 487064757 /nfs/dbraw/zinc/06/47/57/487064757.db2.gz CABZHOMVTNPELD-KXUCPTDWSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@@H]1C[C@@H]1CN1CCCC[C@@H]1C(N)=O 682672408 487064887 /nfs/dbraw/zinc/06/48/87/487064887.db2.gz CABZHOMVTNPELD-OPRDCNLKSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@@H]1C[C@H]1CN1CCCC[C@H]1C(N)=O 682672409 487064986 /nfs/dbraw/zinc/06/49/86/487064986.db2.gz CABZHOMVTNPELD-UTLUCORTSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@@H]1C[C@@H]1CN1CCCC[C@H]1C(N)=O 682672405 487065266 /nfs/dbraw/zinc/06/52/66/487065266.db2.gz CABZHOMVTNPELD-BBBLOLIVSA-N 0 3 196.294 0.982 20 0 ACADHN CC[C@@H](N)C(=O)N[C@]1(C)CCOC1 229459839 487066393 /nfs/dbraw/zinc/06/63/93/487066393.db2.gz CCIPZBVQODQRMR-VXNVDRBHSA-N 0 3 186.255 0.019 20 0 ACADHN COCCCN1CCc2nn[nH]c2C1 682674428 487066415 /nfs/dbraw/zinc/06/64/15/487066415.db2.gz GRHKYWPVDFURBG-UHFFFAOYSA-N 0 3 196.254 0.199 20 0 ACADHN COCCCN1CCc2n[nH]nc2C1 682674428 487066419 /nfs/dbraw/zinc/06/64/19/487066419.db2.gz GRHKYWPVDFURBG-UHFFFAOYSA-N 0 3 196.254 0.199 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@]1(C)CCOC1 229459830 487066917 /nfs/dbraw/zinc/06/69/17/487066917.db2.gz CCIPZBVQODQRMR-APPZFPTMSA-N 0 3 186.255 0.019 20 0 ACADHN CCOCCn1cc([C@H](N)CC)nn1 229933302 487068731 /nfs/dbraw/zinc/06/87/31/487068731.db2.gz YNEBOVLPJMCINP-MRVPVSSYSA-N 0 3 198.270 0.724 20 0 ACADHN CCOCCn1cc([C@@H](N)CC)nn1 229933295 487068866 /nfs/dbraw/zinc/06/88/66/487068866.db2.gz YNEBOVLPJMCINP-QMMMGPOBSA-N 0 3 198.270 0.724 20 0 ACADHN CC[C@@H](N)c1cn([C@@H](C)COC)nn1 229941789 487069367 /nfs/dbraw/zinc/06/93/67/487069367.db2.gz PSNMUCOFLSKYQC-JGVFFNPUSA-N 0 3 198.270 0.895 20 0 ACADHN CC[C@@H](N)c1cn([C@H](C)COC)nn1 229941804 487069389 /nfs/dbraw/zinc/06/93/89/487069389.db2.gz PSNMUCOFLSKYQC-HTQZYQBOSA-N 0 3 198.270 0.895 20 0 ACADHN CC[C@H](N)c1cn(CC(F)F)nn1 229933553 487069422 /nfs/dbraw/zinc/06/94/22/487069422.db2.gz SAIVWFIABIKVRF-YFKPBYRVSA-N 0 3 190.197 0.953 20 0 ACADHN CCC[C@@H](N)c1cn(CCO)nn1 229953393 487069501 /nfs/dbraw/zinc/06/95/01/487069501.db2.gz BFJXYPKMHNFREZ-SSDOTTSWSA-N 0 3 184.243 0.070 20 0 ACADHN CC[C@H](N)c1cn(C[C@H](C)OC)nn1 229948718 487069602 /nfs/dbraw/zinc/06/96/02/487069602.db2.gz BTFJOHVFTHHSNN-YUMQZZPRSA-N 0 3 198.270 0.723 20 0 ACADHN CCC[C@@H](N)c1cn(C[C@@H](C)O)nn1 229957441 487069569 /nfs/dbraw/zinc/06/95/69/487069569.db2.gz LLBRMEZURQTCFM-HTQZYQBOSA-N 0 3 198.270 0.459 20 0 ACADHN CC[C@@H](N)c1cn(CC(C)(C)O)nn1 229949587 487069585 /nfs/dbraw/zinc/06/95/85/487069585.db2.gz DKZXCXSAVRSXST-SSDOTTSWSA-N 0 3 198.270 0.459 20 0 ACADHN CCC[C@@H](N)c1cn(C[C@H](C)O)nn1 229957450 487069676 /nfs/dbraw/zinc/06/96/76/487069676.db2.gz LLBRMEZURQTCFM-JGVFFNPUSA-N 0 3 198.270 0.459 20 0 ACADHN CCC[C@@H](N)c1cn(CCOC)nn1 229956031 487069709 /nfs/dbraw/zinc/06/97/09/487069709.db2.gz DUGCASMQBPGYNX-MRVPVSSYSA-N 0 3 198.270 0.724 20 0 ACADHN CC[C@H](N)c1cn(CCCOC)nn1 229934756 487069754 /nfs/dbraw/zinc/06/97/54/487069754.db2.gz QZXKHJUJEVFTPO-QMMMGPOBSA-N 0 3 198.270 0.724 20 0 ACADHN CC[C@H](N)c1cn(C[C@@H](C)OC)nn1 229948712 487069876 /nfs/dbraw/zinc/06/98/76/487069876.db2.gz BTFJOHVFTHHSNN-SFYZADRCSA-N 0 3 198.270 0.723 20 0 ACADHN CC[C@H](N)c1cn([C@H](C)COC)nn1 229941808 487069891 /nfs/dbraw/zinc/06/98/91/487069891.db2.gz PSNMUCOFLSKYQC-SFYZADRCSA-N 0 3 198.270 0.895 20 0 ACADHN CCC[C@H](N)c1cn(C[C@H](C)O)nn1 229957458 487069925 /nfs/dbraw/zinc/06/99/25/487069925.db2.gz LLBRMEZURQTCFM-YUMQZZPRSA-N 0 3 198.270 0.459 20 0 ACADHN CC[C@@H](N)c1cn(CCCOC)nn1 229934752 487069938 /nfs/dbraw/zinc/06/99/38/487069938.db2.gz QZXKHJUJEVFTPO-MRVPVSSYSA-N 0 3 198.270 0.724 20 0 ACADHN CC[C@H](N)c1cn(C[C@H](O)CC)nn1 229942574 487069975 /nfs/dbraw/zinc/06/99/75/487069975.db2.gz WQDIYJQQUJSCNN-SFYZADRCSA-N 0 3 198.270 0.459 20 0 ACADHN CC[C@H](N)c1cn(CCOC)nn1 229935167 487070037 /nfs/dbraw/zinc/07/00/37/487070037.db2.gz WYZOVORXXCQXTC-ZETCQYMHSA-N 0 3 184.243 0.334 20 0 ACADHN CC[C@@H](O)Cn1cc([C@H](N)CC)nn1 229942571 487070063 /nfs/dbraw/zinc/07/00/63/487070063.db2.gz WQDIYJQQUJSCNN-HTQZYQBOSA-N 0 3 198.270 0.459 20 0 ACADHN CC[C@H](N)c1cn([C@H]2CCOC2)nn1 229934446 487070086 /nfs/dbraw/zinc/07/00/86/487070086.db2.gz BDXYVSSCBSLZDY-YUMQZZPRSA-N 0 3 196.254 0.649 20 0 ACADHN CC[C@@H](N)c1cn(C[C@H](C)OC)nn1 229948714 487070144 /nfs/dbraw/zinc/07/01/44/487070144.db2.gz BTFJOHVFTHHSNN-JGVFFNPUSA-N 0 3 198.270 0.723 20 0 ACADHN CC[C@H](N)c1cn(CC[C@@H](C)O)nn1 229951645 487070168 /nfs/dbraw/zinc/07/01/68/487070168.db2.gz GPNHPELSMPGVEP-SFYZADRCSA-N 0 3 198.270 0.459 20 0 ACADHN CCC[C@H](N)c1cn(CCOC)nn1 229956038 487070187 /nfs/dbraw/zinc/07/01/87/487070187.db2.gz DUGCASMQBPGYNX-QMMMGPOBSA-N 0 3 198.270 0.724 20 0 ACADHN CC[C@H](O)Cn1cc([C@@H](N)CC)nn1 229942566 487070220 /nfs/dbraw/zinc/07/02/20/487070220.db2.gz WQDIYJQQUJSCNN-YUMQZZPRSA-N 0 3 198.270 0.459 20 0 ACADHN CCC[C@H](N)c1cn(CCO)nn1 229953398 487070237 /nfs/dbraw/zinc/07/02/37/487070237.db2.gz BFJXYPKMHNFREZ-ZETCQYMHSA-N 0 3 184.243 0.070 20 0 ACADHN CCC[C@H](N)c1cn(C[C@@H](C)O)nn1 229957445 487070243 /nfs/dbraw/zinc/07/02/43/487070243.db2.gz LLBRMEZURQTCFM-SFYZADRCSA-N 0 3 198.270 0.459 20 0 ACADHN CC[C@H](N)c1cn([C@@H](C)COC)nn1 229941795 487070272 /nfs/dbraw/zinc/07/02/72/487070272.db2.gz PSNMUCOFLSKYQC-YUMQZZPRSA-N 0 3 198.270 0.895 20 0 ACADHN CC[C@@H](N)c1cn([C@@H]2CCOC2)nn1 229934433 487070284 /nfs/dbraw/zinc/07/02/84/487070284.db2.gz BDXYVSSCBSLZDY-HTQZYQBOSA-N 0 3 196.254 0.649 20 0 ACADHN CC[C@@H](N)c1cn(C[C@@H](C)OC)nn1 229948707 487070301 /nfs/dbraw/zinc/07/03/01/487070301.db2.gz BTFJOHVFTHHSNN-HTQZYQBOSA-N 0 3 198.270 0.723 20 0 ACADHN CC[C@H](N)c1cn(CC[C@H](C)O)nn1 229951653 487070321 /nfs/dbraw/zinc/07/03/21/487070321.db2.gz GPNHPELSMPGVEP-YUMQZZPRSA-N 0 3 198.270 0.459 20 0 ACADHN CC[C@@H](N)c1cn([C@H]2CCOC2)nn1 229934442 487070326 /nfs/dbraw/zinc/07/03/26/487070326.db2.gz BDXYVSSCBSLZDY-JGVFFNPUSA-N 0 3 196.254 0.649 20 0 ACADHN CC[C@@H](N)c1cn(CC[C@H](C)O)nn1 229951648 487070380 /nfs/dbraw/zinc/07/03/80/487070380.db2.gz GPNHPELSMPGVEP-JGVFFNPUSA-N 0 3 198.270 0.459 20 0 ACADHN CC[C@@H](N)c1cn(CC[C@@H](C)O)nn1 229951641 487070368 /nfs/dbraw/zinc/07/03/68/487070368.db2.gz GPNHPELSMPGVEP-HTQZYQBOSA-N 0 3 198.270 0.459 20 0 ACADHN CC[C@@H](N)c1cn(CC(F)F)nn1 229933550 487070401 /nfs/dbraw/zinc/07/04/01/487070401.db2.gz SAIVWFIABIKVRF-RXMQYKEDSA-N 0 3 190.197 0.953 20 0 ACADHN CC[C@@H](N)c1cn(CCOC)nn1 229935165 487070414 /nfs/dbraw/zinc/07/04/14/487070414.db2.gz WYZOVORXXCQXTC-SSDOTTSWSA-N 0 3 184.243 0.334 20 0 ACADHN CC[C@H](N)c1cn(CC(C)(C)O)nn1 229949592 487070420 /nfs/dbraw/zinc/07/04/20/487070420.db2.gz DKZXCXSAVRSXST-ZETCQYMHSA-N 0 3 198.270 0.459 20 0 ACADHN CC[C@H](O)Cn1cc([C@H](N)CC)nn1 229942561 487070426 /nfs/dbraw/zinc/07/04/26/487070426.db2.gz WQDIYJQQUJSCNN-JGVFFNPUSA-N 0 3 198.270 0.459 20 0 ACADHN CC[C@H](N)c1cn([C@@H]2CCOC2)nn1 229934437 487070447 /nfs/dbraw/zinc/07/04/47/487070447.db2.gz BDXYVSSCBSLZDY-SFYZADRCSA-N 0 3 196.254 0.649 20 0 ACADHN CC[C@H](O)CNCc1cnn(C)c1C 229967923 487071210 /nfs/dbraw/zinc/07/12/10/487071210.db2.gz HGWMSSUJZLCMMF-JTQLQIEISA-N 0 3 197.282 0.589 20 0 ACADHN CC[C@@H](O)CNCc1c[nH]nc1C 229967756 487071260 /nfs/dbraw/zinc/07/12/60/487071260.db2.gz ROTHIGBXUCOWAV-SECBINFHSA-N 0 3 183.255 0.579 20 0 ACADHN C[C@]1(CO)CCCN1Cc1cn[nH]c1 682782584 487071307 /nfs/dbraw/zinc/07/13/07/487071307.db2.gz LJCOASQGVNEPFC-SNVBAGLBSA-N 0 3 195.266 0.757 20 0 ACADHN C[C@@]1(CO)CCCN1Cc1cn[nH]c1 682782583 487071333 /nfs/dbraw/zinc/07/13/33/487071333.db2.gz LJCOASQGVNEPFC-JTQLQIEISA-N 0 3 195.266 0.757 20 0 ACADHN CC[C@H](O)CNCc1ccncn1 229964766 487071341 /nfs/dbraw/zinc/07/13/41/487071341.db2.gz CBONFSMHLGGGCP-VIFPVBQESA-N 0 3 181.239 0.337 20 0 ACADHN CCC[C@@H](N)c1cn(CCCO)nn1 229968508 487071351 /nfs/dbraw/zinc/07/13/51/487071351.db2.gz GTBAQESSKIZVQN-MRVPVSSYSA-N 0 3 198.270 0.460 20 0 ACADHN CCC[C@H](N)c1cn(CCCO)nn1 229968512 487071375 /nfs/dbraw/zinc/07/13/75/487071375.db2.gz GTBAQESSKIZVQN-QMMMGPOBSA-N 0 3 198.270 0.460 20 0 ACADHN CC[C@H](O)CNCc1c[nH]nc1C 229967764 487071383 /nfs/dbraw/zinc/07/13/83/487071383.db2.gz ROTHIGBXUCOWAV-VIFPVBQESA-N 0 3 183.255 0.579 20 0 ACADHN CC[C@H](O)CNCc1c(C)n[nH]c1C 229962839 487071395 /nfs/dbraw/zinc/07/13/95/487071395.db2.gz PKBXLGXFGZORLW-VIFPVBQESA-N 0 3 197.282 0.887 20 0 ACADHN CC[C@H](O)CNCc1cncn1C 229966714 487071431 /nfs/dbraw/zinc/07/14/31/487071431.db2.gz ZXTHWOMXBUFMJS-VIFPVBQESA-N 0 3 183.255 0.281 20 0 ACADHN CC[C@@H](O)CNCc1cnn(C)c1C 229967919 487071440 /nfs/dbraw/zinc/07/14/40/487071440.db2.gz HGWMSSUJZLCMMF-SNVBAGLBSA-N 0 3 197.282 0.589 20 0 ACADHN CC[C@@H](O)CNCc1cncn1C 229966711 487071449 /nfs/dbraw/zinc/07/14/49/487071449.db2.gz ZXTHWOMXBUFMJS-SECBINFHSA-N 0 3 183.255 0.281 20 0 ACADHN CC[C@@H](O)CNCc1c(C)n[nH]c1C 229962832 487071467 /nfs/dbraw/zinc/07/14/67/487071467.db2.gz PKBXLGXFGZORLW-SECBINFHSA-N 0 3 197.282 0.887 20 0 ACADHN CC[C@@H](O)CNCc1ccncn1 229964761 487071557 /nfs/dbraw/zinc/07/15/57/487071557.db2.gz CBONFSMHLGGGCP-SECBINFHSA-N 0 3 181.239 0.337 20 0 ACADHN CC[C@@H](O)CNCc1cncn1CC 229963229 487071585 /nfs/dbraw/zinc/07/15/85/487071585.db2.gz IVGXAHKUUSNTAN-SNVBAGLBSA-N 0 3 197.282 0.764 20 0 ACADHN CC[C@@H](O)CNCc1cc(C)nn1C 229979313 487071743 /nfs/dbraw/zinc/07/17/43/487071743.db2.gz XQALZHJDERKXOD-SNVBAGLBSA-N 0 3 197.282 0.589 20 0 ACADHN CC[C@@H](O)CNCc1ccc(CO)o1 229969902 487072009 /nfs/dbraw/zinc/07/20/09/487072009.db2.gz KBMPOTGYTOCDSV-MRVPVSSYSA-N 0 3 199.250 0.632 20 0 ACADHN CC[C@H](O)CNCc1cc(C)nn1C 229979320 487072212 /nfs/dbraw/zinc/07/22/12/487072212.db2.gz XQALZHJDERKXOD-JTQLQIEISA-N 0 3 197.282 0.589 20 0 ACADHN CC[C@H](O)CNCc1ccc(CO)o1 229969905 487072322 /nfs/dbraw/zinc/07/23/22/487072322.db2.gz KBMPOTGYTOCDSV-QMMMGPOBSA-N 0 3 199.250 0.632 20 0 ACADHN CC[C@H](O)CNCc1cnn(CC)c1 229976784 487072342 /nfs/dbraw/zinc/07/23/42/487072342.db2.gz NWNYTVBPFCXJGF-JTQLQIEISA-N 0 3 197.282 0.764 20 0 ACADHN CC[C@@H](O)CNCc1cnn(CC)c1 229976779 487072417 /nfs/dbraw/zinc/07/24/17/487072417.db2.gz NWNYTVBPFCXJGF-SNVBAGLBSA-N 0 3 197.282 0.764 20 0 ACADHN CC(C)=CCNC(=O)NCCN(C)C 682886410 487073528 /nfs/dbraw/zinc/07/35/28/487073528.db2.gz FEIRXIOWWQLXHX-UHFFFAOYSA-N 0 3 199.298 0.813 20 0 ACADHN CN[C@@H](C)C(=O)Nc1cncc(C)c1 232077386 487081013 /nfs/dbraw/zinc/08/10/13/487081013.db2.gz YUAZXZALSSWZRY-QMMMGPOBSA-N 0 3 193.250 0.936 20 0 ACADHN CNC(=O)[C@]1(C)CCN(CC(C)=O)C1 230908828 487076054 /nfs/dbraw/zinc/07/60/54/487076054.db2.gz LPGVJWSXNZINKF-SNVBAGLBSA-N 0 3 198.266 0.033 20 0 ACADHN CNC(=O)[C@@]1(C)CCN(CC(C)=O)C1 230908823 487076066 /nfs/dbraw/zinc/07/60/66/487076066.db2.gz LPGVJWSXNZINKF-JTQLQIEISA-N 0 3 198.266 0.033 20 0 ACADHN CCc1nn(C)cc1NC(=O)CNC 231085134 487076763 /nfs/dbraw/zinc/07/67/63/487076763.db2.gz SAIFJOKRLWNBIE-UHFFFAOYSA-N 0 3 196.254 0.140 20 0 ACADHN C[C@@H](O)CN(C)CCc1ccnn1C 230886603 487076983 /nfs/dbraw/zinc/07/69/83/487076983.db2.gz NHFUZBSZMKVKOI-SECBINFHSA-N 0 3 197.282 0.275 20 0 ACADHN CCc1cnc(CNC(=O)CNC)o1 231645755 487078210 /nfs/dbraw/zinc/07/82/10/487078210.db2.gz SEIPJIUDYJMFMH-UHFFFAOYSA-N 0 3 197.238 0.073 20 0 ACADHN CCc1cnc(CNC(=O)[C@@H](C)N)o1 231645365 487078525 /nfs/dbraw/zinc/07/85/25/487078525.db2.gz KIPVSMMEPQHTMF-ZCFIWIBFSA-N 0 3 197.238 0.200 20 0 ACADHN CCc1cnc(CNC(=O)[C@H](C)N)o1 231645899 487078568 /nfs/dbraw/zinc/07/85/68/487078568.db2.gz KIPVSMMEPQHTMF-LURJTMIESA-N 0 3 197.238 0.200 20 0 ACADHN CCN[C@H](C)C(=O)N(C)CC 231842905 487079450 /nfs/dbraw/zinc/07/94/50/487079450.db2.gz KBEVFEHLPJOCAI-SSDOTTSWSA-N 0 3 158.245 0.463 20 0 ACADHN O=C(CNC1CC1)NCc1ccno1 231892256 487079469 /nfs/dbraw/zinc/07/94/69/487079469.db2.gz UOHIYNDDBUZZKM-UHFFFAOYSA-N 0 3 195.222 0.043 20 0 ACADHN CC(C)[C@H](N)C(=O)NCc1ccno1 231893096 487079655 /nfs/dbraw/zinc/07/96/55/487079655.db2.gz BLMVTCQFEXCCDN-QMMMGPOBSA-N 0 3 197.238 0.274 20 0 ACADHN CCN[C@@H](C)C(=O)N(C)CC 231842903 487079722 /nfs/dbraw/zinc/07/97/22/487079722.db2.gz KBEVFEHLPJOCAI-ZETCQYMHSA-N 0 3 158.245 0.463 20 0 ACADHN c1cc(CNC2CCOCC2)on1 231882656 487079740 /nfs/dbraw/zinc/07/97/40/487079740.db2.gz ZLRFDLGPHBWCOK-UHFFFAOYSA-N 0 3 182.223 0.943 20 0 ACADHN CC(C)[C@@H](N)C(=O)NCc1ccno1 231892047 487080034 /nfs/dbraw/zinc/08/00/34/487080034.db2.gz BLMVTCQFEXCCDN-MRVPVSSYSA-N 0 3 197.238 0.274 20 0 ACADHN C[C@@H]1C[C@H]1CN1CCN(CCO)CC1 683108048 487080035 /nfs/dbraw/zinc/08/00/35/487080035.db2.gz ZTZDAWCHAMKOBB-MNOVXSKESA-N 0 3 198.310 0.252 20 0 ACADHN C[C@H]1C[C@@H]1CN1CCN(CCO)CC1 683108050 487080270 /nfs/dbraw/zinc/08/02/70/487080270.db2.gz ZTZDAWCHAMKOBB-WDEREUQCSA-N 0 3 198.310 0.252 20 0 ACADHN C[C@H]1C[C@H]1CN1CCN(CCO)CC1 683108049 487080497 /nfs/dbraw/zinc/08/04/97/487080497.db2.gz ZTZDAWCHAMKOBB-QWRGUYRKSA-N 0 3 198.310 0.252 20 0 ACADHN C[C@@H]1C[C@@H]1CN1CCN(CCO)CC1 683108047 487080635 /nfs/dbraw/zinc/08/06/35/487080635.db2.gz ZTZDAWCHAMKOBB-GHMZBOCLSA-N 0 3 198.310 0.252 20 0 ACADHN CC(C)NCC(=O)NCc1ccno1 231893415 487080724 /nfs/dbraw/zinc/08/07/24/487080724.db2.gz KHWWYLQCIMXOQX-UHFFFAOYSA-N 0 3 197.238 0.289 20 0 ACADHN CC[C@@H](N)C(=O)NCc1ccno1 231894258 487080793 /nfs/dbraw/zinc/08/07/93/487080793.db2.gz GBGSVLGWJCOQKJ-SSDOTTSWSA-N 0 3 183.211 0.028 20 0 ACADHN C[C@@H](O)CN(C)C[C@@H]1CC[C@@H](C)O1 232030849 487080898 /nfs/dbraw/zinc/08/08/98/487080898.db2.gz QVYJMZDJSIPSOL-BBBLOLIVSA-N 0 3 187.283 0.867 20 0 ACADHN CC(C)NCC(=O)Nc1cncnc1 232089483 487080968 /nfs/dbraw/zinc/08/09/68/487080968.db2.gz PCYXWNZXCIQHTG-UHFFFAOYSA-N 0 3 194.238 0.413 20 0 ACADHN CC[C@H](N)C(=O)NCc1ccno1 231893994 487080979 /nfs/dbraw/zinc/08/09/79/487080979.db2.gz GBGSVLGWJCOQKJ-ZETCQYMHSA-N 0 3 183.211 0.028 20 0 ACADHN NC1(C(=O)NCc2ccno2)CCC1 231893241 487080993 /nfs/dbraw/zinc/08/09/93/487080993.db2.gz RLDZITKANWZYMZ-UHFFFAOYSA-N 0 3 195.222 0.172 20 0 ACADHN O=C(CNC1CC1)Nc1cncnc1 232088938 487081024 /nfs/dbraw/zinc/08/10/24/487081024.db2.gz YKPGODMFDKJKNW-UHFFFAOYSA-N 0 3 192.222 0.167 20 0 ACADHN C[C@H]1C[C@H]1CN1C[C@@H](CO)O[C@H](C)C1 683109520 487081385 /nfs/dbraw/zinc/08/13/85/487081385.db2.gz SFTKKAJWFAQDRI-VLEAKVRGSA-N 0 3 199.294 0.724 20 0 ACADHN C[C@@H]1CN(C[C@@H]2C[C@H]2C)C[C@@H](CO)O1 683109523 487081288 /nfs/dbraw/zinc/08/12/88/487081288.db2.gz SFTKKAJWFAQDRI-ZNSHCXBVSA-N 0 3 199.294 0.724 20 0 ACADHN C[C@@H]1CN(C[C@@H]2C[C@H]2C)C[C@H](CO)O1 683109518 487081527 /nfs/dbraw/zinc/08/15/27/487081527.db2.gz SFTKKAJWFAQDRI-CHWFTXMASA-N 0 3 199.294 0.724 20 0 ACADHN C[C@H]1C[C@H]1CN1C[C@@H](C)O[C@@H](CO)C1 683109527 487081561 /nfs/dbraw/zinc/08/15/61/487081561.db2.gz SFTKKAJWFAQDRI-ZRUFSTJUSA-N 0 3 199.294 0.724 20 0 ACADHN C[C@@H]1C[C@@H]1CN(C)[C@@H]1CCN(C)C1=O 683110927 487082294 /nfs/dbraw/zinc/08/22/94/487082294.db2.gz VWMRROZBKODYKN-OPRDCNLKSA-N 0 3 196.294 0.805 20 0 ACADHN C[C@@H]1C[C@@H]1CN(C)[C@H]1CCN(C)C1=O 683110925 487082330 /nfs/dbraw/zinc/08/23/30/487082330.db2.gz VWMRROZBKODYKN-BBBLOLIVSA-N 0 3 196.294 0.805 20 0 ACADHN C[C@@H]1C[C@H]1CN(C)[C@H]1CCN(C)C1=O 683110928 487083244 /nfs/dbraw/zinc/08/32/44/487083244.db2.gz VWMRROZBKODYKN-UTLUCORTSA-N 0 3 196.294 0.805 20 0 ACADHN C[C@@H]1C[C@H]1CN(C)[C@@H]1CCN(C)C1=O 683110926 487083290 /nfs/dbraw/zinc/08/32/90/487083290.db2.gz VWMRROZBKODYKN-KXUCPTDWSA-N 0 3 196.294 0.805 20 0 ACADHN C=Cn1cc(CN[C@@H]2CCOC2)cn1 232572478 487083491 /nfs/dbraw/zinc/08/34/91/487083491.db2.gz JNECJLJNFIASKQ-SNVBAGLBSA-N 0 3 193.250 0.862 20 0 ACADHN CC(C)COCCN(C)C[C@@H](C)O 232637805 487084685 /nfs/dbraw/zinc/08/46/85/487084685.db2.gz OUDNKOSZFMAIQS-SNVBAGLBSA-N 0 3 189.299 0.972 20 0 ACADHN CC(C)NCC(=O)NCC1(C)CC1 232663454 487084899 /nfs/dbraw/zinc/08/48/99/487084899.db2.gz MVMVSOKIEJTKGR-UHFFFAOYSA-N 0 3 184.283 0.901 20 0 ACADHN C1CC(CN2CCc3nn[nH]c3C2)C1 683223759 487086835 /nfs/dbraw/zinc/08/68/35/487086835.db2.gz UYCWJXADNFDWOY-UHFFFAOYSA-N 0 3 192.266 0.963 20 0 ACADHN C1CC(CN2CCc3n[nH]nc3C2)C1 683223759 487086836 /nfs/dbraw/zinc/08/68/36/487086836.db2.gz UYCWJXADNFDWOY-UHFFFAOYSA-N 0 3 192.266 0.963 20 0 ACADHN C1CN(CCC2CC2)Cc2[nH]nnc21 683223175 487086855 /nfs/dbraw/zinc/08/68/55/487086855.db2.gz PVMJOPOUDDRLQG-UHFFFAOYSA-N 0 3 192.266 0.963 20 0 ACADHN C1CN(CCC2CC2)Cc2n[nH]nc21 683223175 487086857 /nfs/dbraw/zinc/08/68/57/487086857.db2.gz PVMJOPOUDDRLQG-UHFFFAOYSA-N 0 3 192.266 0.963 20 0 ACADHN CCC1(CNC(=O)[C@H](C)NC)CC1 232934179 487086998 /nfs/dbraw/zinc/08/69/98/487086998.db2.gz QGYVCQVUDTZLNV-QMMMGPOBSA-N 0 3 184.283 0.901 20 0 ACADHN CCOC[C@@H](NC(=O)CN)C(C)C 233795676 487092284 /nfs/dbraw/zinc/09/22/84/487092284.db2.gz LWJVMZRSERBTPB-MRVPVSSYSA-N 0 3 188.271 0.122 20 0 ACADHN CCOC[C@H](NC(=O)CN)C(C)C 233747342 487092981 /nfs/dbraw/zinc/09/29/81/487092981.db2.gz LWJVMZRSERBTPB-QMMMGPOBSA-N 0 3 188.271 0.122 20 0 ACADHN C=Cn1cc(CNC[C@H](O)CC)cn1 233900836 487093432 /nfs/dbraw/zinc/09/34/32/487093432.db2.gz KIYPZAINVYOXFC-SNVBAGLBSA-N 0 3 195.266 0.844 20 0 ACADHN CC[C@@H]1C[C@H]1NC(=O)[C@H](N)C(C)C 233942350 487093780 /nfs/dbraw/zinc/09/37/80/487093780.db2.gz QMXAWTXPUBVNIL-IWSPIJDZSA-N 0 3 184.283 0.884 20 0 ACADHN CC[C@@H]1C[C@H]1NC(=O)CNC(C)C 233938412 487094005 /nfs/dbraw/zinc/09/40/05/487094005.db2.gz ROTQYMWVBJBQSP-RKDXNWHRSA-N 0 3 184.283 0.899 20 0 ACADHN C=Cn1cc(CNC[C@@H](O)CC)cn1 234026457 487094379 /nfs/dbraw/zinc/09/43/79/487094379.db2.gz KIYPZAINVYOXFC-JTQLQIEISA-N 0 3 195.266 0.844 20 0 ACADHN CN[C@@H](C)C(=O)NC[C@@H]1CC1(C)C 234425044 487095455 /nfs/dbraw/zinc/09/54/55/487095455.db2.gz XDHZDTSVLCYMFJ-YUMQZZPRSA-N 0 3 184.283 0.757 20 0 ACADHN CN[C@@H](C)C(=O)NC[C@H]1CC1(C)C 234425429 487095652 /nfs/dbraw/zinc/09/56/52/487095652.db2.gz XDHZDTSVLCYMFJ-JGVFFNPUSA-N 0 3 184.283 0.757 20 0 ACADHN COCCC(C)(C)CNC(=O)CN 234655402 487098374 /nfs/dbraw/zinc/09/83/74/487098374.db2.gz FHUDKRGCFSPFBJ-UHFFFAOYSA-N 0 3 188.271 0.124 20 0 ACADHN CCN(CCOC)[C@@H]1CCOC1 683802434 487098726 /nfs/dbraw/zinc/09/87/26/487098726.db2.gz RKIULGWDGAFBLK-SECBINFHSA-N 0 3 173.256 0.744 20 0 ACADHN CCN(CCOC)[C@H]1CCOC1 683802435 487098825 /nfs/dbraw/zinc/09/88/25/487098825.db2.gz RKIULGWDGAFBLK-VIFPVBQESA-N 0 3 173.256 0.744 20 0 ACADHN CC1(CN2CCN(CCO)CC2)CC1 683823693 487099023 /nfs/dbraw/zinc/09/90/23/487099023.db2.gz NJWXXNHHJWBJMA-UHFFFAOYSA-N 0 3 198.310 0.396 20 0 ACADHN Cc1[nH]cnc1CC(=O)NCCCF 683919655 487104700 /nfs/dbraw/zinc/10/47/00/487104700.db2.gz KDCINNOBXDWYKB-UHFFFAOYSA-N 0 3 199.229 0.736 20 0 ACADHN Cc1[nH]cnc1CC(=O)NCC1CC1 683916870 487104756 /nfs/dbraw/zinc/10/47/56/487104756.db2.gz GMXWOWSXZHSCMC-UHFFFAOYSA-N 0 3 193.250 0.787 20 0 ACADHN COCCNC(=O)Cc1nc[nH]c1C 683917784 487104852 /nfs/dbraw/zinc/10/48/52/487104852.db2.gz PPNIGMMGICVQJN-UHFFFAOYSA-N 0 3 197.238 0.023 20 0 ACADHN COCC1(C)CN(CC2(O)CCC2)C1 683925868 487106111 /nfs/dbraw/zinc/10/61/11/487106111.db2.gz ZCXZLSPDTHYFIX-UHFFFAOYSA-N 0 3 199.294 0.870 20 0 ACADHN Cn1ncnc1CNC[C@H]1CC1(C)C 236106499 487107020 /nfs/dbraw/zinc/10/70/20/487107020.db2.gz ZRBPHBDYOJYXTM-MRVPVSSYSA-N 0 3 194.282 0.951 20 0 ACADHN Cn1ncnc1CNC[C@@H]1CC1(C)C 236106334 487107089 /nfs/dbraw/zinc/10/70/89/487107089.db2.gz ZRBPHBDYOJYXTM-QMMMGPOBSA-N 0 3 194.282 0.951 20 0 ACADHN OCC(CO)N[C@H]1C=CCCC1 236472316 487108360 /nfs/dbraw/zinc/10/83/60/487108360.db2.gz OKFDUMRSVIGWQO-QMMMGPOBSA-N 0 3 171.240 0.038 20 0 ACADHN OCC(CO)N[C@@H]1C=CCCC1 236472585 487108656 /nfs/dbraw/zinc/10/86/56/487108656.db2.gz OKFDUMRSVIGWQO-MRVPVSSYSA-N 0 3 171.240 0.038 20 0 ACADHN C[C@@H]1CN(CCCO)C[C@@H](C2CC2)O1 684208111 487111556 /nfs/dbraw/zinc/11/15/56/487111556.db2.gz RUSUHMOXHLFAMO-KOLCDFICSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@H]1CN(CCCO)C[C@@H](C2CC2)O1 684208113 487111930 /nfs/dbraw/zinc/11/19/30/487111930.db2.gz RUSUHMOXHLFAMO-ONGXEEELSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@@H]1CN(CCCO)C[C@H](C2CC2)O1 684208112 487112092 /nfs/dbraw/zinc/11/20/92/487112092.db2.gz RUSUHMOXHLFAMO-MWLCHTKSSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@H]1CN(CCCO)C[C@H](C2CC2)O1 684208109 487112278 /nfs/dbraw/zinc/11/22/78/487112278.db2.gz RUSUHMOXHLFAMO-GXSJLCMTSA-N 0 3 199.294 0.868 20 0 ACADHN CN(C)CCN(C)Cc1ccnn1C 684213818 487113924 /nfs/dbraw/zinc/11/39/24/487113924.db2.gz WMIBGWMOEOWBNK-UHFFFAOYSA-N 0 3 196.298 0.414 20 0 ACADHN CCC[C@@H](O)CN(C)[C@H]1CCOC1 251160568 487115581 /nfs/dbraw/zinc/11/55/81/487115581.db2.gz OMWDKFVVTBWJKS-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN CCC[C@H](O)CN(C)[C@H]1CCOC1 251160566 487115741 /nfs/dbraw/zinc/11/57/41/487115741.db2.gz OMWDKFVVTBWJKS-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN CC(C)[C@H](O)CN(C)[C@H]1CCOC1 251314805 487117038 /nfs/dbraw/zinc/11/70/38/487117038.db2.gz KZMKIRHABDSJMW-VHSXEESVSA-N 0 3 187.283 0.724 20 0 ACADHN CC(C)[C@@H](O)CN(C)[C@H]1CCOC1 251314804 487117257 /nfs/dbraw/zinc/11/72/57/487117257.db2.gz KZMKIRHABDSJMW-UWVGGRQHSA-N 0 3 187.283 0.724 20 0 ACADHN CC[C@@H]1COCCN1CC[C@H](C)O 251635064 487119340 /nfs/dbraw/zinc/11/93/40/487119340.db2.gz FQOYECKYAQPVIG-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H]1COCCN1CC[C@H](C)O 251635060 487119683 /nfs/dbraw/zinc/11/96/83/487119683.db2.gz FQOYECKYAQPVIG-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C)[C@H](C)CN1 252217496 487123992 /nfs/dbraw/zinc/12/39/92/487123992.db2.gz ZNNOORVDDFAKQT-ZYUZMQFOSA-N 0 3 196.294 0.851 20 0 ACADHN C[C@H]1C[C@H]1C(=O)N1C[C@@H](C)NC[C@H]1C 252217495 487124274 /nfs/dbraw/zinc/12/42/74/487124274.db2.gz ZNNOORVDDFAKQT-SGIHWFKDSA-N 0 3 196.294 0.851 20 0 ACADHN C[C@H](O)[C@H]1CCN(Cc2cnc[nH]2)C1 684619871 487125260 /nfs/dbraw/zinc/12/52/60/487125260.db2.gz SZNJMXXOUKIAJG-IUCAKERBSA-N 0 3 195.266 0.612 20 0 ACADHN OCCCN(Cc1cnc[nH]1)C1CC1 684617519 487125497 /nfs/dbraw/zinc/12/54/97/487125497.db2.gz MUFCHQFZJKIAOX-UHFFFAOYSA-N 0 3 195.266 0.757 20 0 ACADHN CN(Cc1cnc[nH]1)C[C@@H](O)C1CC1 684618132 487125692 /nfs/dbraw/zinc/12/56/92/487125692.db2.gz JZVNJGHTSYHFFO-SNVBAGLBSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@H](O)[C@@H]1CCN(Cc2cnc[nH]2)C1 684619870 487125614 /nfs/dbraw/zinc/12/56/14/487125614.db2.gz SZNJMXXOUKIAJG-DTWKUNHWSA-N 0 3 195.266 0.612 20 0 ACADHN COC[C@@H]1CCN(Cc2cnc[nH]2)C1 684617416 487125668 /nfs/dbraw/zinc/12/56/68/487125668.db2.gz MAQHXMQQMKLPKG-SECBINFHSA-N 0 3 195.266 0.878 20 0 ACADHN COC[C@@H]1CCN(Cc2c[nH]cn2)C1 684617416 487125666 /nfs/dbraw/zinc/12/56/66/487125666.db2.gz MAQHXMQQMKLPKG-SECBINFHSA-N 0 3 195.266 0.878 20 0 ACADHN C[C@@H](O)[C@H]1CCN(Cc2cnc[nH]2)C1 684619869 487125727 /nfs/dbraw/zinc/12/57/27/487125727.db2.gz SZNJMXXOUKIAJG-BDAKNGLRSA-N 0 3 195.266 0.612 20 0 ACADHN COC[C@H]1CCN(Cc2c[nH]cn2)C1 684617417 487125803 /nfs/dbraw/zinc/12/58/03/487125803.db2.gz MAQHXMQQMKLPKG-VIFPVBQESA-N 0 3 195.266 0.878 20 0 ACADHN COC[C@H]1CCN(Cc2cnc[nH]2)C1 684617417 487125806 /nfs/dbraw/zinc/12/58/06/487125806.db2.gz MAQHXMQQMKLPKG-VIFPVBQESA-N 0 3 195.266 0.878 20 0 ACADHN CN[C@H](C)C(=O)N1C[C@@H]2CCC[C@H]2C1 252707910 487126126 /nfs/dbraw/zinc/12/61/26/487126126.db2.gz YOZRHXPWXBQBAS-UTLUCORTSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@@H](O)[C@@H]1CCN(Cc2cnc[nH]2)C1 684619872 487126187 /nfs/dbraw/zinc/12/61/87/487126187.db2.gz SZNJMXXOUKIAJG-RKDXNWHRSA-N 0 3 195.266 0.612 20 0 ACADHN CN(Cc1cnc[nH]1)C[C@H](O)C1CC1 684618131 487126490 /nfs/dbraw/zinc/12/64/90/487126490.db2.gz JZVNJGHTSYHFFO-JTQLQIEISA-N 0 3 195.266 0.612 20 0 ACADHN CC1(O)CCN(Cc2cnc[nH]2)CC1 684618464 487126525 /nfs/dbraw/zinc/12/65/25/487126525.db2.gz PXFDXWSTTWDHNA-UHFFFAOYSA-N 0 3 195.266 0.757 20 0 ACADHN C[C@@H]1CN(Cc2cnc[nH]2)CC[C@@H]1O 684620758 487126821 /nfs/dbraw/zinc/12/68/21/487126821.db2.gz YGHOOBYVDVCVJJ-SCZZXKLOSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@]1(CO)CCCN1Cc1c[nH]cn1 684620740 487126879 /nfs/dbraw/zinc/12/68/79/487126879.db2.gz XZVHMSFOTXMTRM-SNVBAGLBSA-N 0 3 195.266 0.757 20 0 ACADHN C[C@]1(CO)CCCN1Cc1cnc[nH]1 684620740 487126880 /nfs/dbraw/zinc/12/68/80/487126880.db2.gz XZVHMSFOTXMTRM-SNVBAGLBSA-N 0 3 195.266 0.757 20 0 ACADHN OCC[C@@H]1CCCN1Cc1c[nH]cn1 684620380 487126937 /nfs/dbraw/zinc/12/69/37/487126937.db2.gz OSSYFIVQPNXBGN-JTQLQIEISA-N 0 3 195.266 0.757 20 0 ACADHN OCC[C@@H]1CCCN1Cc1cnc[nH]1 684620380 487126940 /nfs/dbraw/zinc/12/69/40/487126940.db2.gz OSSYFIVQPNXBGN-JTQLQIEISA-N 0 3 195.266 0.757 20 0 ACADHN C[C@@H]1CN(Cc2cnc[nH]2)CC[C@H]1O 684620756 487127078 /nfs/dbraw/zinc/12/70/78/487127078.db2.gz YGHOOBYVDVCVJJ-PSASIEDQSA-N 0 3 195.266 0.612 20 0 ACADHN CN(Cc1cnc[nH]1)CC1(O)CCC1 684620163 487127181 /nfs/dbraw/zinc/12/71/81/487127181.db2.gz JZQCRKXMINKIHP-UHFFFAOYSA-N 0 3 195.266 0.757 20 0 ACADHN CC(=O)CN1CC[C@@H](C)[C@H]1CO 299913728 487140153 /nfs/dbraw/zinc/14/01/53/487140153.db2.gz RBJBJANYDMUKKK-VXNVDRBHSA-N 0 3 171.240 0.278 20 0 ACADHN OCC[C@H]1CCCN1Cc1c[nH]cn1 684620381 487127354 /nfs/dbraw/zinc/12/73/54/487127354.db2.gz OSSYFIVQPNXBGN-SNVBAGLBSA-N 0 3 195.266 0.757 20 0 ACADHN OCC[C@H]1CCCN1Cc1cnc[nH]1 684620381 487127356 /nfs/dbraw/zinc/12/73/56/487127356.db2.gz OSSYFIVQPNXBGN-SNVBAGLBSA-N 0 3 195.266 0.757 20 0 ACADHN OCCN(Cc1cnc[nH]1)C1CCC1 684620343 487127509 /nfs/dbraw/zinc/12/75/09/487127509.db2.gz NJKARYQCFMLAHV-UHFFFAOYSA-N 0 3 195.266 0.757 20 0 ACADHN NC(=O)CN(CC1CCC1)CC1CC1 684627809 487127630 /nfs/dbraw/zinc/12/76/30/487127630.db2.gz AOTXDCXFQKYKKO-UHFFFAOYSA-N 0 3 196.294 0.984 20 0 ACADHN C[C@H]1CN(Cc2cnc[nH]2)CC[C@@H]1O 684620761 487127728 /nfs/dbraw/zinc/12/77/28/487127728.db2.gz YGHOOBYVDVCVJJ-WPRPVWTQSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@H]1CN(Cc2cnc[nH]2)CC[C@H]1O 684620760 487127789 /nfs/dbraw/zinc/12/77/89/487127789.db2.gz YGHOOBYVDVCVJJ-WCBMZHEXSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@@]1(CO)CCCN1Cc1c[nH]cn1 684620739 487127875 /nfs/dbraw/zinc/12/78/75/487127875.db2.gz XZVHMSFOTXMTRM-JTQLQIEISA-N 0 3 195.266 0.757 20 0 ACADHN C[C@@]1(CO)CCCN1Cc1cnc[nH]1 684620739 487127878 /nfs/dbraw/zinc/12/78/78/487127878.db2.gz XZVHMSFOTXMTRM-JTQLQIEISA-N 0 3 195.266 0.757 20 0 ACADHN CNC(=O)CN(CC1CC1)C1CCC1 684628247 487128951 /nfs/dbraw/zinc/12/89/51/487128951.db2.gz LOHAJLWHRRQHSX-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CC[C@H](C)CN1CCOC[C@H]1CO 253059424 487130299 /nfs/dbraw/zinc/13/02/99/487130299.db2.gz CIBNKBZYJLLKMF-VHSXEESVSA-N 0 3 187.283 0.726 20 0 ACADHN CC[C@@H](C)CN1CCOC[C@H]1CO 253059423 487130325 /nfs/dbraw/zinc/13/03/25/487130325.db2.gz CIBNKBZYJLLKMF-NXEZZACHSA-N 0 3 187.283 0.726 20 0 ACADHN CC1=CCCN(CCOCCO)C1 684774275 487131657 /nfs/dbraw/zinc/13/16/57/487131657.db2.gz XOAJNKIJUSUJOT-UHFFFAOYSA-N 0 3 185.267 0.647 20 0 ACADHN CN(C)C(=O)c1cccc2c1CNC2 258163412 487134207 /nfs/dbraw/zinc/13/42/07/487134207.db2.gz NVQYHMXRQZYCPT-UHFFFAOYSA-N 0 3 190.246 0.992 20 0 ACADHN CC[C@@H]1C[C@H]1NC(=O)NCCN(C)C 684816038 487135552 /nfs/dbraw/zinc/13/55/52/487135552.db2.gz WUYLDZSLBOMZIA-RKDXNWHRSA-N 0 3 199.298 0.646 20 0 ACADHN Cc1ccsc1CCNC(=O)CN 258770470 487135960 /nfs/dbraw/zinc/13/59/60/487135960.db2.gz KVQOAIXIIUUSKW-UHFFFAOYSA-N 0 3 198.291 0.674 20 0 ACADHN CN(CCC(C)(C)C)C(=O)CN 258848152 487136141 /nfs/dbraw/zinc/13/61/41/487136141.db2.gz QZUCMTLKUGFICJ-UHFFFAOYSA-N 0 3 172.272 0.840 20 0 ACADHN OC[C@@H]1[C@H]2CN(Cc3ccco3)C[C@H]21 259465787 487138395 /nfs/dbraw/zinc/13/83/95/487138395.db2.gz WHXFMQFVMIOKNC-URLYPYJESA-N 0 3 193.246 0.950 20 0 ACADHN CN(CCC1CCC1)CC(N)=O 259251278 487138684 /nfs/dbraw/zinc/13/86/84/487138684.db2.gz ZUQBMUITULQVHV-UHFFFAOYSA-N 0 3 170.256 0.594 20 0 ACADHN COCC1=CCN(C[C@@H](C)O)CC1 685003625 487139693 /nfs/dbraw/zinc/13/96/93/487139693.db2.gz NINKKKHHTDVZDB-SECBINFHSA-N 0 3 185.267 0.646 20 0 ACADHN CC(=O)CN1CC[C@H](C)[C@H]1CO 299913726 487140064 /nfs/dbraw/zinc/14/00/64/487140064.db2.gz RBJBJANYDMUKKK-IONNQARKSA-N 0 3 171.240 0.278 20 0 ACADHN COCC1=CCN(C[C@H](C)O)CC1 685003626 487140123 /nfs/dbraw/zinc/14/01/23/487140123.db2.gz NINKKKHHTDVZDB-VIFPVBQESA-N 0 3 185.267 0.646 20 0 ACADHN CN(C)CCN(C)Cc1ccn(C)n1 685451889 487144498 /nfs/dbraw/zinc/14/44/98/487144498.db2.gz OLNXMDZZLOFXDZ-UHFFFAOYSA-N 0 3 196.298 0.414 20 0 ACADHN CCC[C@@H]1C[C@H]1NC(=O)[C@H](C)NC 300388956 487143565 /nfs/dbraw/zinc/14/35/65/487143565.db2.gz RKVUIXHOIKIYRV-DJLDLDEBSA-N 0 3 184.283 0.899 20 0 ACADHN C1C[C@@H](CN(C2CC2)C2COC2)CO1 685417319 487143626 /nfs/dbraw/zinc/14/36/26/487143626.db2.gz ABMNOWLLEKQKAX-VIFPVBQESA-N 0 3 197.278 0.886 20 0 ACADHN C1C[C@H](CN(C2CC2)C2COC2)CO1 685417318 487143693 /nfs/dbraw/zinc/14/36/93/487143693.db2.gz ABMNOWLLEKQKAX-SECBINFHSA-N 0 3 197.278 0.886 20 0 ACADHN CN(Cc1cn[nH]c1)[C@@H]1CCC[C@H]1O 685440047 487144435 /nfs/dbraw/zinc/14/44/35/487144435.db2.gz DUAAPZQJCVGMCA-NXEZZACHSA-N 0 3 195.266 0.755 20 0 ACADHN CN(C)CCN(C)Cc1cncn1C 685452057 487144522 /nfs/dbraw/zinc/14/45/22/487144522.db2.gz MKHLRFFKCQLLIO-UHFFFAOYSA-N 0 3 196.298 0.414 20 0 ACADHN Cc1n[nH]cc1CN(C)CCN(C)C 685452076 487144652 /nfs/dbraw/zinc/14/46/52/487144652.db2.gz UUAVRRHJCHLJME-UHFFFAOYSA-N 0 3 196.298 0.712 20 0 ACADHN CN(CCC(N)=O)Cc1ccn(C)c1 685447206 487144693 /nfs/dbraw/zinc/14/46/93/487144693.db2.gz MIHNQHJGMMWQOH-UHFFFAOYSA-N 0 3 195.266 0.332 20 0 ACADHN CN(CCC(N)=O)CC1=CCCOC1 685447248 487144932 /nfs/dbraw/zinc/14/49/32/487144932.db2.gz KXDNAULZNVIQGL-UHFFFAOYSA-N 0 3 198.266 0.140 20 0 ACADHN CCn1ccc(NC(=O)C(C)(C)N)n1 300830243 487145284 /nfs/dbraw/zinc/14/52/84/487145284.db2.gz CFZKKNSPIBOLPX-UHFFFAOYSA-N 0 3 196.254 0.579 20 0 ACADHN CCn1ccc(NC(=O)CNC)n1 300833545 487145453 /nfs/dbraw/zinc/14/54/53/487145453.db2.gz CVDORRGBXYLERY-UHFFFAOYSA-N 0 3 182.227 0.061 20 0 ACADHN CC(C)[C@@H](N)c1cn(CCCO)nn1 300835316 487145570 /nfs/dbraw/zinc/14/55/70/487145570.db2.gz INFKILORMHQFLE-SECBINFHSA-N 0 3 198.270 0.316 20 0 ACADHN CC(C)[C@@H](N)c1cn(CCF)nn1 300849685 487145693 /nfs/dbraw/zinc/14/56/93/487145693.db2.gz FCSYSBKYKHPLGI-MRVPVSSYSA-N 0 3 186.234 0.903 20 0 ACADHN CC(C)[C@H](N)c1cn(CCCO)nn1 300835321 487145708 /nfs/dbraw/zinc/14/57/08/487145708.db2.gz INFKILORMHQFLE-VIFPVBQESA-N 0 3 198.270 0.316 20 0 ACADHN CC[C@H](N)C(=O)Nc1ccn(CC)n1 300867848 487145784 /nfs/dbraw/zinc/14/57/84/487145784.db2.gz KCRRNWQRXWLFPO-ZETCQYMHSA-N 0 3 196.254 0.579 20 0 ACADHN CC[C@@H](N)C(=O)Nc1ccn(CC)n1 300867847 487145792 /nfs/dbraw/zinc/14/57/92/487145792.db2.gz KCRRNWQRXWLFPO-SSDOTTSWSA-N 0 3 196.254 0.579 20 0 ACADHN CC(C)[C@H](N)c1cn(CCF)nn1 300849688 487145804 /nfs/dbraw/zinc/14/58/04/487145804.db2.gz FCSYSBKYKHPLGI-QMMMGPOBSA-N 0 3 186.234 0.903 20 0 ACADHN COCCn1cc([C@@H](N)C(C)C)nn1 300956734 487147025 /nfs/dbraw/zinc/14/70/25/487147025.db2.gz QKFQBQPIUXGUTL-VIFPVBQESA-N 0 3 198.270 0.580 20 0 ACADHN COCCn1cc([C@H](N)C(C)C)nn1 300956733 487147087 /nfs/dbraw/zinc/14/70/87/487147087.db2.gz QKFQBQPIUXGUTL-SECBINFHSA-N 0 3 198.270 0.580 20 0 ACADHN CC(C)=CCN(C)CCOCCO 300939407 487147428 /nfs/dbraw/zinc/14/74/28/487147428.db2.gz DFAWZDUMXWVXIN-UHFFFAOYSA-N 0 3 187.283 0.893 20 0 ACADHN CN(CCCF)CCOCCO 301050654 487149016 /nfs/dbraw/zinc/14/90/16/487149016.db2.gz SOFLHKPKDLVVNS-UHFFFAOYSA-N 0 3 179.235 0.287 20 0 ACADHN Cc1c[nH]nc1CN(C)CCN(C)C 685847733 487149891 /nfs/dbraw/zinc/14/98/91/487149891.db2.gz AWRNVMMJTFYADA-UHFFFAOYSA-N 0 3 196.298 0.712 20 0 ACADHN O[C@@H]1CCCC[C@H]1NCc1cn[nH]c1 306169181 487150414 /nfs/dbraw/zinc/15/04/14/487150414.db2.gz ADNRWSLKDRMYKY-NXEZZACHSA-N 0 3 195.266 0.803 20 0 ACADHN O[C@H]1CN([C@H]2CCOC2)CC12CC2 306155046 487150553 /nfs/dbraw/zinc/15/05/53/487150553.db2.gz CRRXKSSYSOQWJL-IUCAKERBSA-N 0 3 183.251 0.232 20 0 ACADHN O[C@@H]1CN([C@H]2CCOC2)CC12CC2 306155044 487150670 /nfs/dbraw/zinc/15/06/70/487150670.db2.gz CRRXKSSYSOQWJL-DTWKUNHWSA-N 0 3 183.251 0.232 20 0 ACADHN O[C@@H]1CN([C@@H]2CCOC2)CC12CC2 306155049 487150691 /nfs/dbraw/zinc/15/06/91/487150691.db2.gz CRRXKSSYSOQWJL-RKDXNWHRSA-N 0 3 183.251 0.232 20 0 ACADHN Cc1nccnc1N(C)CCN(C)C 685909572 487151192 /nfs/dbraw/zinc/15/11/92/487151192.db2.gz VSRWENLXSOGZGE-UHFFFAOYSA-N 0 3 194.282 0.783 20 0 ACADHN Cc1nccnc1N1CC(N(C)C)C1 685912523 487151406 /nfs/dbraw/zinc/15/14/06/487151406.db2.gz ARHAWPFHXXDJFE-UHFFFAOYSA-N 0 3 192.266 0.535 20 0 ACADHN C[C@H]1CCC[C@H]1NCc1nnnn1C 306273885 487152744 /nfs/dbraw/zinc/15/27/44/487152744.db2.gz CFWANKNEQUKMAL-JGVFFNPUSA-N 0 3 195.270 0.488 20 0 ACADHN C[C@H]1CCC[C@@H]1NCc1nnnn1C 306273896 487152837 /nfs/dbraw/zinc/15/28/37/487152837.db2.gz CFWANKNEQUKMAL-YUMQZZPRSA-N 0 3 195.270 0.488 20 0 ACADHN C[C@@H]1CCC[C@H]1NCc1nnnn1C 306273879 487152878 /nfs/dbraw/zinc/15/28/78/487152878.db2.gz CFWANKNEQUKMAL-HTQZYQBOSA-N 0 3 195.270 0.488 20 0 ACADHN C[C@@H]1CCC[C@@H]1NCc1nnnn1C 306273890 487152896 /nfs/dbraw/zinc/15/28/96/487152896.db2.gz CFWANKNEQUKMAL-SFYZADRCSA-N 0 3 195.270 0.488 20 0 ACADHN C[C@@H]([NH3+])CC(=O)Nc1ccncc1[O-] 306340296 487153831 /nfs/dbraw/zinc/15/38/31/487153831.db2.gz WFLVPKAGACEKRK-ZCFIWIBFSA-N 0 3 195.222 0.463 20 0 ACADHN CN[C@@H](C)C(=O)N1C[C@@H]2CCC[C@H]2C1 306358078 487154562 /nfs/dbraw/zinc/15/45/62/487154562.db2.gz YOZRHXPWXBQBAS-GUBZILKMSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@@H](NC1CC2(CCC2)C1)C(N)=O 306401722 487155031 /nfs/dbraw/zinc/15/50/31/487155031.db2.gz PZVQIRNOVQJWFZ-SSDOTTSWSA-N 0 3 182.267 0.783 20 0 ACADHN CC(C)=CCN1CCC(O)(CO)CC1 306400752 487155229 /nfs/dbraw/zinc/15/52/29/487155229.db2.gz BIMRNGOCCGPJSS-UHFFFAOYSA-N 0 3 199.294 0.772 20 0 ACADHN COc1cccnc1NC(=O)[C@@H](C)N 306444172 487156428 /nfs/dbraw/zinc/15/64/28/487156428.db2.gz OIZGKKDHXOZUEF-ZCFIWIBFSA-N 0 3 195.222 0.376 20 0 ACADHN C[C@H](CF)N[C@@H]1CCOC1 306477625 487157679 /nfs/dbraw/zinc/15/76/79/487157679.db2.gz ALRZGCCUCAIWTD-RNFRBKRXSA-N 0 3 147.193 0.723 20 0 ACADHN C[C@H](CF)N[C@H]1CCOC1 306477630 487157708 /nfs/dbraw/zinc/15/77/08/487157708.db2.gz ALRZGCCUCAIWTD-RQJHMYQMSA-N 0 3 147.193 0.723 20 0 ACADHN COc1ccnc(NC(=O)[C@@H](C)N)c1 306490139 487158676 /nfs/dbraw/zinc/15/86/76/487158676.db2.gz MMOPGLMTJRMRQT-ZCFIWIBFSA-N 0 3 195.222 0.376 20 0 ACADHN CCCNC(=O)[C@H]1NCC1(C)C 306503485 487159005 /nfs/dbraw/zinc/15/90/05/487159005.db2.gz HXRFDKYJLPHARJ-SSDOTTSWSA-N 0 3 170.256 0.511 20 0 ACADHN CCCNC(=O)[C@@H]1NCC1(C)C 306503486 487159178 /nfs/dbraw/zinc/15/91/78/487159178.db2.gz HXRFDKYJLPHARJ-ZETCQYMHSA-N 0 3 170.256 0.511 20 0 ACADHN O=C(Nc1ccc[nH]c1=O)[C@H]1CCN1 306562133 487160824 /nfs/dbraw/zinc/16/08/24/487160824.db2.gz NUKWECJFDDFDBJ-ZCFIWIBFSA-N 0 3 193.206 0.088 20 0 ACADHN CC(C)N(C)C(=O)[C@@H]1NCC1(C)C 306585447 487161603 /nfs/dbraw/zinc/16/16/03/487161603.db2.gz KCTNOSTUDLNUFM-QMMMGPOBSA-N 0 3 184.283 0.851 20 0 ACADHN CC(C)N(C)C(=O)[C@H]1NCC1(C)C 306585445 487161634 /nfs/dbraw/zinc/16/16/34/487161634.db2.gz KCTNOSTUDLNUFM-MRVPVSSYSA-N 0 3 184.283 0.851 20 0 ACADHN CN(CCO)[C@H]1COC(C)(C)C1 306607327 487162320 /nfs/dbraw/zinc/16/23/20/487162320.db2.gz HYWUEJYTSUAIFU-MRVPVSSYSA-N 0 3 173.256 0.478 20 0 ACADHN CN(CCO)[C@@H]1COC(C)(C)C1 306607328 487162409 /nfs/dbraw/zinc/16/24/09/487162409.db2.gz HYWUEJYTSUAIFU-QMMMGPOBSA-N 0 3 173.256 0.478 20 0 ACADHN CC[C@@H](N)C(=O)N1CC[C@H](C)[C@H]1C 306645492 487162642 /nfs/dbraw/zinc/16/26/42/487162642.db2.gz FALLRFHQITUDGC-DJLDLDEBSA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@@H](N)C(=O)N1CC[C@H](C)[C@@H]1C 306645496 487162670 /nfs/dbraw/zinc/16/26/70/487162670.db2.gz FALLRFHQITUDGC-XHNCKOQMSA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@@H](N)C(=O)N1CC[C@@H](C)[C@@H]1C 306645493 487162796 /nfs/dbraw/zinc/16/27/96/487162796.db2.gz FALLRFHQITUDGC-HRDYMLBCSA-N 0 3 184.283 0.981 20 0 ACADHN COc1cc(NC(=O)[C@H](C)N)ccn1 306646856 487163097 /nfs/dbraw/zinc/16/30/97/487163097.db2.gz BBXNYWOHICADMA-LURJTMIESA-N 0 3 195.222 0.376 20 0 ACADHN CC[C@@H](N)C(=O)N1CC[C@@H](C)[C@H]1C 306645494 487163209 /nfs/dbraw/zinc/16/32/09/487163209.db2.gz FALLRFHQITUDGC-IWSPIJDZSA-N 0 3 184.283 0.981 20 0 ACADHN O=C(Nc1c[nH]ccc1=O)[C@H]1CCN1 306658876 487164044 /nfs/dbraw/zinc/16/40/44/487164044.db2.gz KYGFQLYKFNVARR-ZCFIWIBFSA-N 0 3 193.206 0.088 20 0 ACADHN CC[C@H](N)C(=O)N1CC[C@H](C)[C@@H]1C 306670847 487164190 /nfs/dbraw/zinc/16/41/90/487164190.db2.gz FALLRFHQITUDGC-CIUDSAMLSA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@H](N)C(=O)N1CC[C@@H](C)[C@@H]1C 306670849 487164388 /nfs/dbraw/zinc/16/43/88/487164388.db2.gz FALLRFHQITUDGC-VGMNWLOBSA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@H](N)C(=O)N1CC[C@H](C)[C@H]1C 306670850 487164520 /nfs/dbraw/zinc/16/45/20/487164520.db2.gz FALLRFHQITUDGC-YIZRAAEISA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@H](N)C(=O)N1CC[C@@H](C)[C@H]1C 306670848 487164557 /nfs/dbraw/zinc/16/45/57/487164557.db2.gz FALLRFHQITUDGC-HLTSFMKQSA-N 0 3 184.283 0.981 20 0 ACADHN CNC(=O)NC(C)(C)CN(C)C 306732808 487165999 /nfs/dbraw/zinc/16/59/99/487165999.db2.gz SKOWBYUQFUHWQP-UHFFFAOYSA-N 0 3 173.260 0.256 20 0 ACADHN C[C@H](O)CN(C)[C@@H]1COC(C)(C)C1 306830744 487166998 /nfs/dbraw/zinc/16/69/98/487166998.db2.gz JLWFVVFHYLHDHB-IUCAKERBSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@H](O)CN(C)[C@H]1COC(C)(C)C1 306830743 487167524 /nfs/dbraw/zinc/16/75/24/487167524.db2.gz JLWFVVFHYLHDHB-DTWKUNHWSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@@H](N)c1nc(C2(N)CCCC2)no1 306990750 487171252 /nfs/dbraw/zinc/17/12/52/487171252.db2.gz JIWUFDOXDMPPQV-ZCFIWIBFSA-N 0 3 196.254 0.817 20 0 ACADHN COc1ccncc1NC(=O)[C@@H](C)N 306991801 487171532 /nfs/dbraw/zinc/17/15/32/487171532.db2.gz KTLQCPFORWAVMX-ZCFIWIBFSA-N 0 3 195.222 0.376 20 0 ACADHN C[C@@H](O)CN(C)[C@H]1COC(C)(C)C1 307010383 487172114 /nfs/dbraw/zinc/17/21/14/487172114.db2.gz JLWFVVFHYLHDHB-RKDXNWHRSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@@H](O)CN(C)[C@@H]1COC(C)(C)C1 307010381 487172241 /nfs/dbraw/zinc/17/22/41/487172241.db2.gz JLWFVVFHYLHDHB-BDAKNGLRSA-N 0 3 187.283 0.867 20 0 ACADHN CCC1(NC(=O)CN)CCOCC1 307027687 487172666 /nfs/dbraw/zinc/17/26/66/487172666.db2.gz BCMMGBXYBYYABW-UHFFFAOYSA-N 0 3 186.255 0.021 20 0 ACADHN COc1cc(NC(=O)[C@@H](C)N)ccn1 307125876 487174311 /nfs/dbraw/zinc/17/43/11/487174311.db2.gz BBXNYWOHICADMA-ZCFIWIBFSA-N 0 3 195.222 0.376 20 0 ACADHN C[C@H](N)C(=O)N(C)c1nccs1 307188144 487175417 /nfs/dbraw/zinc/17/54/17/487175417.db2.gz AXUVSSWNEPPTDL-YFKPBYRVSA-N 0 3 185.252 0.453 20 0 ACADHN CN[C@@H](C)C(=O)N1CCC2(CCC2)C1 307215756 487176812 /nfs/dbraw/zinc/17/68/12/487176812.db2.gz SOJWMLNYLPTBSK-VIFPVBQESA-N 0 3 196.294 0.997 20 0 ACADHN CN[C@@H](C)C(=O)N1C[C@H](C)C[C@H]1C 307257353 487177592 /nfs/dbraw/zinc/17/75/92/487177592.db2.gz FDUVEJUYABEXCF-HLTSFMKQSA-N 0 3 184.283 0.851 20 0 ACADHN CN[C@@H](C)C(=O)N1C[C@@H](C)C[C@H]1C 307257363 487177902 /nfs/dbraw/zinc/17/79/02/487177902.db2.gz FDUVEJUYABEXCF-YIZRAAEISA-N 0 3 184.283 0.851 20 0 ACADHN CN[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1C 307307356 487178731 /nfs/dbraw/zinc/17/87/31/487178731.db2.gz VCNBQGWNYUBOMQ-HRDYMLBCSA-N 0 3 184.283 0.899 20 0 ACADHN CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]1C 307307357 487178807 /nfs/dbraw/zinc/17/88/07/487178807.db2.gz VCNBQGWNYUBOMQ-VGMNWLOBSA-N 0 3 184.283 0.899 20 0 ACADHN CN[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C 307322117 487178817 /nfs/dbraw/zinc/17/88/17/487178817.db2.gz XTVAPYHGLKHXQY-XHNCKOQMSA-N 0 3 196.294 0.709 20 0 ACADHN C[C@H]1COC(C)(C)CN1CCCO 307309504 487179068 /nfs/dbraw/zinc/17/90/68/487179068.db2.gz FMLKRZALGQNFTQ-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN O[C@@H]1CCC[C@H]1NCc1cn[nH]c1 307325800 487179092 /nfs/dbraw/zinc/17/90/92/487179092.db2.gz MGZODLDXYWXVRS-RKDXNWHRSA-N 0 3 181.239 0.413 20 0 ACADHN CC[C@H](C)NC(=O)[C@H]1NCC1(C)C 307374168 487180379 /nfs/dbraw/zinc/18/03/79/487180379.db2.gz TUVLHMPJRSYSNY-JGVFFNPUSA-N 0 3 184.283 0.899 20 0 ACADHN CC[C@H](C)NC(=O)[C@@H]1NCC1(C)C 307374170 487180532 /nfs/dbraw/zinc/18/05/32/487180532.db2.gz TUVLHMPJRSYSNY-YUMQZZPRSA-N 0 3 184.283 0.899 20 0 ACADHN CC[C@@H](C)NC(=O)[C@@H]1NCC1(C)C 307374169 487180563 /nfs/dbraw/zinc/18/05/63/487180563.db2.gz TUVLHMPJRSYSNY-SFYZADRCSA-N 0 3 184.283 0.899 20 0 ACADHN CC[C@@H](C)NC(=O)[C@H]1NCC1(C)C 307374167 487180620 /nfs/dbraw/zinc/18/06/20/487180620.db2.gz TUVLHMPJRSYSNY-HTQZYQBOSA-N 0 3 184.283 0.899 20 0 ACADHN CN[C@@H](C)C(=O)N1CC[C@@H](C)[C@H]1C 307459613 487181695 /nfs/dbraw/zinc/18/16/95/487181695.db2.gz CIVHJWLDZOBZMI-HRDYMLBCSA-N 0 3 184.283 0.851 20 0 ACADHN CN[C@@H](C)C(=O)N1CC[C@@H](C)[C@@H]1C 307459616 487181821 /nfs/dbraw/zinc/18/18/21/487181821.db2.gz CIVHJWLDZOBZMI-VGMNWLOBSA-N 0 3 184.283 0.851 20 0 ACADHN CN[C@@H](C)C(=O)N1CC[C@H](C)[C@H]1C 307459620 487181903 /nfs/dbraw/zinc/18/19/03/487181903.db2.gz CIVHJWLDZOBZMI-XHNCKOQMSA-N 0 3 184.283 0.851 20 0 ACADHN CN[C@@H](C)C(=O)N1CC[C@H](C)[C@@H]1C 307459611 487181925 /nfs/dbraw/zinc/18/19/25/487181925.db2.gz CIVHJWLDZOBZMI-CIUDSAMLSA-N 0 3 184.283 0.851 20 0 ACADHN C[C@H]1CCN(C(=O)[C@H]2NCC2(C)C)C1 307695179 487188166 /nfs/dbraw/zinc/18/81/66/487188166.db2.gz ZROYDTKPNKJPQP-DTWKUNHWSA-N 0 3 196.294 0.853 20 0 ACADHN CC(C)C(=O)NC[C@@H]1C[C@H](F)CN1 307695872 487188193 /nfs/dbraw/zinc/18/81/93/487188193.db2.gz FWFGPVHIUUSVRD-YUMQZZPRSA-N 0 3 188.246 0.459 20 0 ACADHN C[C@@H]1CCN(C(=O)[C@@H]2NCC2(C)C)C1 307695178 487188410 /nfs/dbraw/zinc/18/84/10/487188410.db2.gz ZROYDTKPNKJPQP-BDAKNGLRSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@@H]1CCN(C(=O)[C@H]2NCC2(C)C)C1 307695181 487188466 /nfs/dbraw/zinc/18/84/66/487188466.db2.gz ZROYDTKPNKJPQP-RKDXNWHRSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@H]1CCN(C(=O)[C@@H]2NCC2(C)C)C1 307695180 487188524 /nfs/dbraw/zinc/18/85/24/487188524.db2.gz ZROYDTKPNKJPQP-IUCAKERBSA-N 0 3 196.294 0.853 20 0 ACADHN Nc1ccccc1NC(=O)[C@H]1CCN1 307718487 487189702 /nfs/dbraw/zinc/18/97/02/487189702.db2.gz LJAXDGDPZGZJQC-SECBINFHSA-N 0 3 191.234 0.569 20 0 ACADHN CCC[C@](C)(N)C(=O)Nc1nc[nH]n1 307726584 487190411 /nfs/dbraw/zinc/19/04/11/487190411.db2.gz CGPWVAODRIFCJC-QMMMGPOBSA-N 0 3 197.242 0.261 20 0 ACADHN CCC[C@@](C)(N)C(=O)Nc1nc[nH]n1 307726583 487190448 /nfs/dbraw/zinc/19/04/48/487190448.db2.gz CGPWVAODRIFCJC-MRVPVSSYSA-N 0 3 197.242 0.261 20 0 ACADHN CC[C@@H](C)N(CC)CC(=O)NC 308046753 487193255 /nfs/dbraw/zinc/19/32/55/487193255.db2.gz PSVUQUGPXYCGIN-MRVPVSSYSA-N 0 3 172.272 0.853 20 0 ACADHN CC[C@H](C)N(CC)CC(=O)NC 308046762 487193364 /nfs/dbraw/zinc/19/33/64/487193364.db2.gz PSVUQUGPXYCGIN-QMMMGPOBSA-N 0 3 172.272 0.853 20 0 ACADHN CC[C@H](CO)NCc1n[nH]cc1C 308279350 487198186 /nfs/dbraw/zinc/19/81/86/487198186.db2.gz XCDWIUNLLFDPFV-MRVPVSSYSA-N 0 3 183.255 0.579 20 0 ACADHN C[C@@H](CNC(=O)C1(C)CC1)N(C)C 308344139 487199717 /nfs/dbraw/zinc/19/97/17/487199717.db2.gz TVFAGZORJXZNIP-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN CN(CCCO)CC1=CCCOC1 308419719 487200671 /nfs/dbraw/zinc/20/06/71/487200671.db2.gz OHZXBPLQANPXSM-UHFFFAOYSA-N 0 3 185.267 0.647 20 0 ACADHN CC[C@@H](CO)NCc1n[nH]cc1C 308501510 487202062 /nfs/dbraw/zinc/20/20/62/487202062.db2.gz XCDWIUNLLFDPFV-QMMMGPOBSA-N 0 3 183.255 0.579 20 0 ACADHN CC[C@](C)(O)CNCc1n[nH]cc1C 308624111 487205202 /nfs/dbraw/zinc/20/52/02/487205202.db2.gz VHEMUSWXDPXQQE-JTQLQIEISA-N 0 3 197.282 0.969 20 0 ACADHN CC[C@@](C)(O)CNCc1n[nH]cc1C 308624112 487205220 /nfs/dbraw/zinc/20/52/20/487205220.db2.gz VHEMUSWXDPXQQE-SNVBAGLBSA-N 0 3 197.282 0.969 20 0 ACADHN CNC(=O)CCNCc1ccoc1C 321137536 487212200 /nfs/dbraw/zinc/21/22/00/487212200.db2.gz XYPUNVVJCIUEIN-UHFFFAOYSA-N 0 3 196.250 0.814 20 0 ACADHN Cc1occc1CNCCOCCO 321243407 487213314 /nfs/dbraw/zinc/21/33/14/487213314.db2.gz NFFRPLXBXRMYFJ-UHFFFAOYSA-N 0 3 199.250 0.687 20 0 ACADHN CN1CCC(C(=O)NC2CCC2)CC1 334840499 487229199 /nfs/dbraw/zinc/22/91/99/487229199.db2.gz ORQGBGICMWNQPM-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CCCC(=O)NC[C@@H]1C[C@H](F)CN1 378688344 487234420 /nfs/dbraw/zinc/23/44/20/487234420.db2.gz GPDFBDSUOXYVQB-YUMQZZPRSA-N 0 3 188.246 0.603 20 0 ACADHN CN[C@@H](C)C(=O)NC[C@H]1C[C@H]1C 379318741 487237625 /nfs/dbraw/zinc/23/76/25/487237625.db2.gz MSXSSGYWIKZZKQ-GJMOJQLCSA-N 0 3 170.256 0.367 20 0 ACADHN CN[C@@H](C)C(=O)NC[C@@H]1C[C@H]1C 379318740 487237739 /nfs/dbraw/zinc/23/77/39/487237739.db2.gz MSXSSGYWIKZZKQ-CSMHCCOUSA-N 0 3 170.256 0.367 20 0 ACADHN CNCC(=O)N(C(C)C)C1CC1 379372574 487240124 /nfs/dbraw/zinc/24/01/24/487240124.db2.gz JOWMZMHPDLGZST-UHFFFAOYSA-N 0 3 170.256 0.605 20 0 ACADHN CCNC(=O)CN(CC)CC1CC1 379370653 487240463 /nfs/dbraw/zinc/24/04/63/487240463.db2.gz GNTPRBDAUUFIIA-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN C[C@@H](O)CN(C)Cc1ccn(C)c1 379372918 487240678 /nfs/dbraw/zinc/24/06/78/487240678.db2.gz KGNSFXXXWPMGCV-SECBINFHSA-N 0 3 182.267 0.838 20 0 ACADHN CC(C)N(CC(=O)N(C)C)C1CC1 379391201 487242097 /nfs/dbraw/zinc/24/20/97/487242097.db2.gz PDNNNJQUOJHMCR-UHFFFAOYSA-N 0 3 184.283 0.947 20 0 ACADHN CCOCCN1C[C@@H]2[C@@H](CO)[C@@H]2C1 379390637 487242242 /nfs/dbraw/zinc/24/22/42/487242242.db2.gz JVAQFFJVKVLMBV-MYJAWHEDSA-N 0 3 185.267 0.193 20 0 ACADHN CC[C@@H](O)CN1CC(C(C)(C)O)C1 379412556 487243513 /nfs/dbraw/zinc/24/35/13/487243513.db2.gz KMMPILUFMSDVHF-SECBINFHSA-N 0 3 187.283 0.460 20 0 ACADHN COCCCN1CC[C@](F)(CO)C1 379403978 487243570 /nfs/dbraw/zinc/24/35/70/487243570.db2.gz QMKKSHUFWLWBCG-SECBINFHSA-N 0 3 191.246 0.429 20 0 ACADHN COCCCN1CC[C@@](F)(CO)C1 379403979 487243730 /nfs/dbraw/zinc/24/37/30/487243730.db2.gz QMKKSHUFWLWBCG-VIFPVBQESA-N 0 3 191.246 0.429 20 0 ACADHN CC[C@@H](O)CN1CC(C)(COC)C1 379409952 487243796 /nfs/dbraw/zinc/24/37/96/487243796.db2.gz FBDYJMOMZAMMOV-SECBINFHSA-N 0 3 187.283 0.726 20 0 ACADHN CC[C@H](O)CN1CC(C(C)(C)O)C1 379412557 487244033 /nfs/dbraw/zinc/24/40/33/487244033.db2.gz KMMPILUFMSDVHF-VIFPVBQESA-N 0 3 187.283 0.460 20 0 ACADHN CC[C@H](O)CN1CC(C)(COC)C1 379409953 487244085 /nfs/dbraw/zinc/24/40/85/487244085.db2.gz FBDYJMOMZAMMOV-VIFPVBQESA-N 0 3 187.283 0.726 20 0 ACADHN CO[C@@H](C)CNCc1c(C)cnn1C 379601111 487246383 /nfs/dbraw/zinc/24/63/83/487246383.db2.gz LJEMFRLECADLGI-VIFPVBQESA-N 0 3 197.282 0.853 20 0 ACADHN CO[C@H](C)CNCc1c(C)cnn1C 379601110 487246550 /nfs/dbraw/zinc/24/65/50/487246550.db2.gz LJEMFRLECADLGI-SECBINFHSA-N 0 3 197.282 0.853 20 0 ACADHN C[C@H]1C[C@@H]1C(=O)NC[C@H](C)N(C)C 382222745 487249885 /nfs/dbraw/zinc/24/98/85/487249885.db2.gz NLVOAGISCPDZGC-CIUDSAMLSA-N 0 3 184.283 0.709 20 0 ACADHN C=C1CCN(C(=O)CNC2CC2)CC1 382556123 487250846 /nfs/dbraw/zinc/25/08/46/487250846.db2.gz JQZXJQIKJWBVDF-UHFFFAOYSA-N 0 3 194.278 0.917 20 0 ACADHN CC[C@](C)(N)c1cn(CCCO)nn1 384210781 487252296 /nfs/dbraw/zinc/25/22/96/487252296.db2.gz OSUBSWJMIYZWJQ-VIFPVBQESA-N 0 3 198.270 0.244 20 0 ACADHN CC[C@](C)(N)c1cn(CCF)nn1 384229616 487252326 /nfs/dbraw/zinc/25/23/26/487252326.db2.gz WPFFVRJWSOUSRW-QMMMGPOBSA-N 0 3 186.234 0.832 20 0 ACADHN CC[C@@](C)(N)c1cn(CCF)nn1 384229615 487252480 /nfs/dbraw/zinc/25/24/80/487252480.db2.gz WPFFVRJWSOUSRW-MRVPVSSYSA-N 0 3 186.234 0.832 20 0 ACADHN CC[C@@](C)(N)c1cn(CCCO)nn1 384210778 487252559 /nfs/dbraw/zinc/25/25/59/487252559.db2.gz OSUBSWJMIYZWJQ-SECBINFHSA-N 0 3 198.270 0.244 20 0 ACADHN CCN(CC(F)F)C(=O)[C@H](C)NC 386176014 487256081 /nfs/dbraw/zinc/25/60/81/487256081.db2.gz FMBDNDBXIKODJV-LURJTMIESA-N 0 3 194.225 0.708 20 0 ACADHN CCN(CC(F)F)C(=O)C(C)(C)N 386581093 487256219 /nfs/dbraw/zinc/25/62/19/487256219.db2.gz SKNQQTCQGRHYMW-UHFFFAOYSA-N 0 3 194.225 0.837 20 0 ACADHN CN[C@@H](C)C(=O)N(C)CCC1CC1 388222274 487258827 /nfs/dbraw/zinc/25/88/27/487258827.db2.gz IUPSKSRPZZRJDR-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN NCc1cn(CCCCF)nn1 388484702 487260056 /nfs/dbraw/zinc/26/00/56/487260056.db2.gz YOYXMLPUTZQYGY-UHFFFAOYSA-N 0 3 172.207 0.487 20 0 ACADHN CCCC(=O)N[C@H]1CCN(CC)C1 389257700 487262759 /nfs/dbraw/zinc/26/27/59/487262759.db2.gz HPLBQYICXCXCBC-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CCCC(=O)N[C@@H]1CCN(CC)C1 389257699 487263146 /nfs/dbraw/zinc/26/31/46/487263146.db2.gz HPLBQYICXCXCBC-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CCCN1CC[C@@H](NC(=O)NCC)C1 389851973 487264193 /nfs/dbraw/zinc/26/41/93/487264193.db2.gz UZCIDIMYMIJXMT-SECBINFHSA-N 0 3 199.298 0.790 20 0 ACADHN CCCN1CC[C@@H](NC(=O)N(C)C)C1 389714578 487264101 /nfs/dbraw/zinc/26/41/01/487264101.db2.gz NJQUZFUVZFNUDY-SECBINFHSA-N 0 3 199.298 0.742 20 0 ACADHN CCCN1CC[C@H](NC(=O)N(C)C)C1 389714579 487264267 /nfs/dbraw/zinc/26/42/67/487264267.db2.gz NJQUZFUVZFNUDY-VIFPVBQESA-N 0 3 199.298 0.742 20 0 ACADHN CC[C@H](NCc1nnnn1C)C1CC1 389328798 487264327 /nfs/dbraw/zinc/26/43/27/487264327.db2.gz BALPDGFXHRUVKS-QMMMGPOBSA-N 0 3 195.270 0.488 20 0 ACADHN CCCN1CC[C@H](NC(=O)NCC)C1 389851974 487264382 /nfs/dbraw/zinc/26/43/82/487264382.db2.gz UZCIDIMYMIJXMT-VIFPVBQESA-N 0 3 199.298 0.790 20 0 ACADHN CC[C@@H](NCc1nnnn1C)C1CC1 389328796 487264509 /nfs/dbraw/zinc/26/45/09/487264509.db2.gz BALPDGFXHRUVKS-MRVPVSSYSA-N 0 3 195.270 0.488 20 0 ACADHN CCc1nc(CN[C@@H](C)COC)n[nH]1 392368615 487264764 /nfs/dbraw/zinc/26/47/64/487264764.db2.gz WWODATAPGYCSSF-ZETCQYMHSA-N 0 3 198.270 0.492 20 0 ACADHN CCc1nc(CN[C@H](C)COC)n[nH]1 392368294 487264858 /nfs/dbraw/zinc/26/48/58/487264858.db2.gz WWODATAPGYCSSF-SSDOTTSWSA-N 0 3 198.270 0.492 20 0 ACADHN CC[C@H](CO)N(C)Cc1cn[nH]c1 393318599 487266067 /nfs/dbraw/zinc/26/60/67/487266067.db2.gz YTFBSQINKUZQNP-SECBINFHSA-N 0 3 183.255 0.612 20 0 ACADHN CNCC(=O)NCC1(C2CC2)CCC1 393322079 487266203 /nfs/dbraw/zinc/26/62/03/487266203.db2.gz MMTHAHPIJGKAGO-UHFFFAOYSA-N 0 3 196.294 0.902 20 0 ACADHN CC[C@@H](CO)N(C)Cc1cn[nH]c1 393318602 487266379 /nfs/dbraw/zinc/26/63/79/487266379.db2.gz YTFBSQINKUZQNP-VIFPVBQESA-N 0 3 183.255 0.612 20 0 ACADHN CN(CCC1CC1)C(=O)CN 393658370 487267981 /nfs/dbraw/zinc/26/79/81/487267981.db2.gz WGXFGFABZHFSSE-UHFFFAOYSA-N 0 3 156.229 0.204 20 0 ACADHN CCN(CC)C(=O)[C@H]1NCC1(C)C 393661866 487268180 /nfs/dbraw/zinc/26/81/80/487268180.db2.gz VVQGJWCDIGTAFZ-MRVPVSSYSA-N 0 3 184.283 0.853 20 0 ACADHN CCN(CC)C(=O)[C@@H]1NCC1(C)C 393661869 487268478 /nfs/dbraw/zinc/26/84/78/487268478.db2.gz VVQGJWCDIGTAFZ-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN CC[C@@H](O)CNCc1c(C)cnn1C 394058657 487270047 /nfs/dbraw/zinc/27/00/47/487270047.db2.gz HZLHWJWYRZKOPT-SECBINFHSA-N 0 3 197.282 0.589 20 0 ACADHN CC[C@@](C)(N)c1cn(CCOC)nn1 395260142 487272044 /nfs/dbraw/zinc/27/20/44/487272044.db2.gz IOLHFVJRNFZAGM-SECBINFHSA-N 0 3 198.270 0.508 20 0 ACADHN CC[C@](C)(N)c1cn(CCOC)nn1 395260143 487272301 /nfs/dbraw/zinc/27/23/01/487272301.db2.gz IOLHFVJRNFZAGM-VIFPVBQESA-N 0 3 198.270 0.508 20 0 ACADHN C[C@H](O)CCN[C@H](C)c1ccncn1 395945914 487273706 /nfs/dbraw/zinc/27/37/06/487273706.db2.gz WVQQKASGCYPVHD-DTWKUNHWSA-N 0 3 195.266 0.898 20 0 ACADHN CC[C@@H](O)CN[C@@H](C)c1ccncn1 396055797 487273679 /nfs/dbraw/zinc/27/36/79/487273679.db2.gz WCTXRHCQCNWWGP-DTWKUNHWSA-N 0 3 195.266 0.898 20 0 ACADHN CC[C@@H](O)CN[C@H](C)c1ccncn1 396055799 487273802 /nfs/dbraw/zinc/27/38/02/487273802.db2.gz WCTXRHCQCNWWGP-RKDXNWHRSA-N 0 3 195.266 0.898 20 0 ACADHN C[C@H](O)CCN[C@@H](C)c1ccncn1 395945916 487274253 /nfs/dbraw/zinc/27/42/53/487274253.db2.gz WVQQKASGCYPVHD-IUCAKERBSA-N 0 3 195.266 0.898 20 0 ACADHN CN(CCCO)[C@@H]1COC(C)(C)C1 396584905 487274716 /nfs/dbraw/zinc/27/47/16/487274716.db2.gz MNEJQQOCAAEMMR-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN CN(CCCO)[C@H]1COC(C)(C)C1 396584903 487274793 /nfs/dbraw/zinc/27/47/93/487274793.db2.gz MNEJQQOCAAEMMR-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN COCCN(C)CCC1(O)CCC1 396790194 487274864 /nfs/dbraw/zinc/27/48/64/487274864.db2.gz QZNBQWJXBZXHRH-UHFFFAOYSA-N 0 3 187.283 0.870 20 0 ACADHN OCCN(CCC1(O)CCC1)C1CC1 396930844 487276725 /nfs/dbraw/zinc/27/67/25/487276725.db2.gz XUMONOXVCUQAJN-UHFFFAOYSA-N 0 3 199.294 0.748 20 0 ACADHN Cc1cnccc1CCN(C)CCO 397651746 487277818 /nfs/dbraw/zinc/27/78/18/487277818.db2.gz YZKKWFFTVOMHCP-UHFFFAOYSA-N 0 3 194.278 0.857 20 0 ACADHN CCN(C)C(=O)NCC1(N(C)C)CC1 397838222 487280470 /nfs/dbraw/zinc/28/04/70/487280470.db2.gz PLOHUGJFPAUFJO-UHFFFAOYSA-N 0 3 199.298 0.742 20 0 ACADHN CC[C@@H](O)CNCc1conc1C 397883313 487280653 /nfs/dbraw/zinc/28/06/53/487280653.db2.gz OAHNOGSQTGZYKV-SECBINFHSA-N 0 3 184.239 0.844 20 0 ACADHN OCC(CO)NCC1=CCCC1 401147242 487288397 /nfs/dbraw/zinc/28/83/97/487288397.db2.gz BZCHNESSCUUPEV-UHFFFAOYSA-N 0 3 171.240 0.040 20 0 ACADHN CO[C@@H]1COC[C@H]1NCCSC 592151669 487299694 /nfs/dbraw/zinc/29/96/94/487299694.db2.gz KIUTZSFVSOPRHM-HTQZYQBOSA-N 0 3 191.296 0.353 20 0 ACADHN CCN1CC[C@@H](N2CCCC2)C1=O 606257131 487303332 /nfs/dbraw/zinc/30/33/32/487303332.db2.gz IAIBHQHMPVAJPU-SECBINFHSA-N 0 3 182.267 0.703 20 0 ACADHN CCN1CC[C@H](N2CCCC2)C1=O 606257132 487303549 /nfs/dbraw/zinc/30/35/49/487303549.db2.gz IAIBHQHMPVAJPU-VIFPVBQESA-N 0 3 182.267 0.703 20 0 ACADHN CNCC(=O)Nc1cc(C)cc(O)c1 606267281 487304868 /nfs/dbraw/zinc/30/48/68/487304868.db2.gz IDNUVEXHKUJYTL-UHFFFAOYSA-N 0 3 194.234 0.859 20 0 ACADHN Cc1cc(O)cc(NC(=O)[C@@H](C)N)c1 606267538 487305032 /nfs/dbraw/zinc/30/50/32/487305032.db2.gz WGPVIBZXPNSBRB-SSDOTTSWSA-N 0 3 194.234 0.986 20 0 ACADHN Cc1cc(O)cc(NC(=O)[C@H](C)N)c1 606267542 487305106 /nfs/dbraw/zinc/30/51/06/487305106.db2.gz WGPVIBZXPNSBRB-ZETCQYMHSA-N 0 3 194.234 0.986 20 0 ACADHN C[C@@H](N)C(=O)N1CCOCC12CCC2 606273441 487305744 /nfs/dbraw/zinc/30/57/44/487305744.db2.gz WYMIWGQDITYOPF-MRVPVSSYSA-N 0 3 198.266 0.115 20 0 ACADHN C[C@H](N)C(=O)N1CCOCC12CCC2 606273442 487305836 /nfs/dbraw/zinc/30/58/36/487305836.db2.gz WYMIWGQDITYOPF-QMMMGPOBSA-N 0 3 198.266 0.115 20 0 ACADHN CC(F)(F)CNC(=O)C1(N)CC1 642818711 487308982 /nfs/dbraw/zinc/30/89/82/487308982.db2.gz FBGPBGRHHYTRPD-UHFFFAOYSA-N 0 3 178.182 0.249 20 0 ACADHN C[C@@]1(CNC(=O)CN)CC1(F)F 642833219 487309379 /nfs/dbraw/zinc/30/93/79/487309379.db2.gz GLQINWQVRFIDBE-LURJTMIESA-N 0 3 178.182 0.107 20 0 ACADHN CC(C)(N)C(=O)NCC1=CCCC1 642826386 487309394 /nfs/dbraw/zinc/30/93/94/487309394.db2.gz QWHCYHLVHADVNV-UHFFFAOYSA-N 0 3 182.267 0.950 20 0 ACADHN NC1(C(=O)NCC2=CCCC2)CC1 642849649 487309504 /nfs/dbraw/zinc/30/95/04/487309504.db2.gz LMZUIWCRIBKFPV-UHFFFAOYSA-N 0 3 180.251 0.704 20 0 ACADHN C[C@]1(CNC(=O)CN)CC1(F)F 642833220 487309563 /nfs/dbraw/zinc/30/95/63/487309563.db2.gz GLQINWQVRFIDBE-ZCFIWIBFSA-N 0 3 178.182 0.107 20 0 ACADHN CNCC(=O)NC1CC2(CCC2)C1 642840716 487309843 /nfs/dbraw/zinc/30/98/43/487309843.db2.gz BYXVYLUXMKVPPV-UHFFFAOYSA-N 0 3 182.267 0.655 20 0 ACADHN CO[C@@]1(C)C[C@H]1NC(=O)C(C)(C)N 642860852 487310282 /nfs/dbraw/zinc/31/02/82/487310282.db2.gz FQQIPFCFBWAVPF-MUWHJKNJSA-N 0 3 186.255 0.017 20 0 ACADHN CN[C@@H](C)C(=O)N[C@@]1(C)CC1(C)C 642853998 487310339 /nfs/dbraw/zinc/31/03/39/487310339.db2.gz BABPZUCMZKGXFY-XVKPBYJWSA-N 0 3 184.283 0.899 20 0 ACADHN CN[C@@H](C)C(=O)N[C@]1(C)CC1(C)C 642853997 487310388 /nfs/dbraw/zinc/31/03/88/487310388.db2.gz BABPZUCMZKGXFY-OIBJUYFYSA-N 0 3 184.283 0.899 20 0 ACADHN C[C@@H](N)C(=O)NCC1=CCCC1 642862588 487310495 /nfs/dbraw/zinc/31/04/95/487310495.db2.gz ZFXNYBBVWWJUBV-SSDOTTSWSA-N 0 3 168.240 0.560 20 0 ACADHN CNCC(=O)N[C@]1(C)CC1(C)C 642861166 487310533 /nfs/dbraw/zinc/31/05/33/487310533.db2.gz HCJOTIRYIOEAOJ-SECBINFHSA-N 0 3 170.256 0.511 20 0 ACADHN C[C@H](N)C(=O)NCC1=CCCC1 642862589 487310576 /nfs/dbraw/zinc/31/05/76/487310576.db2.gz ZFXNYBBVWWJUBV-ZETCQYMHSA-N 0 3 168.240 0.560 20 0 ACADHN CNCC(=O)N[C@@]1(C)CC1(C)C 642861167 487310644 /nfs/dbraw/zinc/31/06/44/487310644.db2.gz HCJOTIRYIOEAOJ-VIFPVBQESA-N 0 3 170.256 0.511 20 0 ACADHN C[C@H](CNC(=O)CCCF)N(C)C 666243165 487325824 /nfs/dbraw/zinc/32/58/24/487325824.db2.gz CJUDRBAXYKZYNT-MRVPVSSYSA-N 0 3 190.262 0.802 20 0 ACADHN C[C@H](CNC(=O)c1ncc[nH]1)N(C)C 666243910 487325944 /nfs/dbraw/zinc/32/59/44/487325944.db2.gz PWACDRKBPPXMIT-SSDOTTSWSA-N 0 3 196.254 0.090 20 0 ACADHN C[C@@H]1C[C@@H]1C(=O)NCC1(N(C)C)CC1 668046578 487358851 /nfs/dbraw/zinc/35/88/51/487358851.db2.gz VNINEAYIUUXOPZ-BDAKNGLRSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@H]1C[C@H]1C(=O)NCC1(N(C)C)CC1 668046579 487358894 /nfs/dbraw/zinc/35/88/94/487358894.db2.gz VNINEAYIUUXOPZ-DTWKUNHWSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@@H]1C[C@H]1C(=O)NCC1(N(C)C)CC1 668046581 487359017 /nfs/dbraw/zinc/35/90/17/487359017.db2.gz VNINEAYIUUXOPZ-RKDXNWHRSA-N 0 3 196.294 0.853 20 0 ACADHN CN(C)C1(CNC(=O)CC2CC2)CC1 668049083 487359024 /nfs/dbraw/zinc/35/90/24/487359024.db2.gz QZLDMYUHQCOTCM-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CN(C)C1(CNC(=O)C2(C)CC2)CC1 668050795 487359064 /nfs/dbraw/zinc/35/90/64/487359064.db2.gz RAWDPAQJRIGHCW-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN C[C@H]1C[C@@H]1C(=O)NCC1(N(C)C)CC1 668046580 487359110 /nfs/dbraw/zinc/35/91/10/487359110.db2.gz VNINEAYIUUXOPZ-IUCAKERBSA-N 0 3 196.294 0.853 20 0 ACADHN CN(C)C1(CNC(=O)C2CCC2)CC1 668047384 487359143 /nfs/dbraw/zinc/35/91/43/487359143.db2.gz WMIRQGMRQAVFQZ-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN OC[C@@H]1CC[C@H](NCc2cn[nH]c2)C1 668208915 487360954 /nfs/dbraw/zinc/36/09/54/487360954.db2.gz NQDBVWOZIXAWIF-SCZZXKLOSA-N 0 3 195.266 0.660 20 0 ACADHN C[C@H](O)C1(NCc2ccnn2C)CC1 668694984 487366145 /nfs/dbraw/zinc/36/61/45/487366145.db2.gz AVTJBTRBVMJRGA-QMMMGPOBSA-N 0 3 195.266 0.423 20 0 ACADHN C[C@@H](O)C1(NCc2cncn2C)CC1 668697388 487366159 /nfs/dbraw/zinc/36/61/59/487366159.db2.gz FAMDBINKQNMNLS-MRVPVSSYSA-N 0 3 195.266 0.423 20 0 ACADHN C[C@H](O)C1(NCc2cnn(C)c2)CC1 668696454 487366284 /nfs/dbraw/zinc/36/62/84/487366284.db2.gz QIKSLNLEKWIIRD-QMMMGPOBSA-N 0 3 195.266 0.423 20 0 ACADHN Cc1n[nH]cc1CNC1([C@@H](C)O)CC1 668696466 487366309 /nfs/dbraw/zinc/36/63/09/487366309.db2.gz QOLOMJKUFYVIGN-MRVPVSSYSA-N 0 3 195.266 0.721 20 0 ACADHN Cc1n[nH]cc1CNC1([C@H](C)O)CC1 668696467 487366346 /nfs/dbraw/zinc/36/63/46/487366346.db2.gz QOLOMJKUFYVIGN-QMMMGPOBSA-N 0 3 195.266 0.721 20 0 ACADHN C[C@H](O)C1(NCc2cncn2C)CC1 668697389 487366435 /nfs/dbraw/zinc/36/64/35/487366435.db2.gz FAMDBINKQNMNLS-QMMMGPOBSA-N 0 3 195.266 0.423 20 0 ACADHN C[C@@H](O)C1(NCc2ccnn2C)CC1 668694982 487366447 /nfs/dbraw/zinc/36/64/47/487366447.db2.gz AVTJBTRBVMJRGA-MRVPVSSYSA-N 0 3 195.266 0.423 20 0 ACADHN C[C@@H](O)C1(NCc2cnn(C)c2)CC1 668696453 487366582 /nfs/dbraw/zinc/36/65/82/487366582.db2.gz QIKSLNLEKWIIRD-MRVPVSSYSA-N 0 3 195.266 0.423 20 0 ACADHN CNC(=O)CN(C)C[C@H]1C[C@H]1C 668788662 487368363 /nfs/dbraw/zinc/36/83/63/487368363.db2.gz RODBSMQDLNKKTK-HTQZYQBOSA-N 0 3 170.256 0.320 20 0 ACADHN CNC(=O)CN(C)C[C@@H]1C[C@H]1C 668788665 487368378 /nfs/dbraw/zinc/36/83/78/487368378.db2.gz RODBSMQDLNKKTK-SFYZADRCSA-N 0 3 170.256 0.320 20 0 ACADHN CNC(=O)CN(C)C[C@H]1C[C@@H]1C 668788664 487368443 /nfs/dbraw/zinc/36/84/43/487368443.db2.gz RODBSMQDLNKKTK-JGVFFNPUSA-N 0 3 170.256 0.320 20 0 ACADHN CNC(=O)CN(C)C[C@@H]1C[C@@H]1C 668788666 487368485 /nfs/dbraw/zinc/36/84/85/487368485.db2.gz RODBSMQDLNKKTK-YUMQZZPRSA-N 0 3 170.256 0.320 20 0 ACADHN C[C@H]1C[C@@H]1CN1CCc2nn[nH]c2C1 668791681 487368923 /nfs/dbraw/zinc/36/89/23/487368923.db2.gz VWCAZGCEQHVBFL-JGVFFNPUSA-N 0 3 192.266 0.819 20 0 ACADHN C[C@H]1C[C@@H]1CN1CCc2n[nH]nc2C1 668791681 487368926 /nfs/dbraw/zinc/36/89/26/487368926.db2.gz VWCAZGCEQHVBFL-JGVFFNPUSA-N 0 3 192.266 0.819 20 0 ACADHN C[C@@H]1C[C@@H]1CN1CCc2nn[nH]c2C1 668791680 487368961 /nfs/dbraw/zinc/36/89/61/487368961.db2.gz VWCAZGCEQHVBFL-HTQZYQBOSA-N 0 3 192.266 0.819 20 0 ACADHN C[C@@H]1C[C@@H]1CN1CCc2n[nH]nc2C1 668791680 487368963 /nfs/dbraw/zinc/36/89/63/487368963.db2.gz VWCAZGCEQHVBFL-HTQZYQBOSA-N 0 3 192.266 0.819 20 0 ACADHN CN(Cc1cccn1C)C1(CO)CC1 668801915 487368906 /nfs/dbraw/zinc/36/89/06/487368906.db2.gz ZITCXIYFDFWHCD-UHFFFAOYSA-N 0 3 194.278 0.982 20 0 ACADHN Cc1cn[nH]c1CN(C)C1(CO)CC1 668798106 487369218 /nfs/dbraw/zinc/36/92/18/487369218.db2.gz LFDXIKQGOMRCJL-UHFFFAOYSA-N 0 3 195.266 0.675 20 0 ACADHN CN(Cc1ccn(C)c1)C1(CO)CC1 668801248 487369313 /nfs/dbraw/zinc/36/93/13/487369313.db2.gz OOLHAILGLRONKA-UHFFFAOYSA-N 0 3 194.278 0.982 20 0 ACADHN C[C@@H]1C[C@H]1CN1CCc2nn[nH]c2C1 668791682 487369361 /nfs/dbraw/zinc/36/93/61/487369361.db2.gz VWCAZGCEQHVBFL-SFYZADRCSA-N 0 3 192.266 0.819 20 0 ACADHN C[C@@H]1C[C@H]1CN1CCc2n[nH]nc2C1 668791682 487369365 /nfs/dbraw/zinc/36/93/65/487369365.db2.gz VWCAZGCEQHVBFL-SFYZADRCSA-N 0 3 192.266 0.819 20 0 ACADHN CN(CC1=CCCOC1)C1(CO)CC1 668800764 487369399 /nfs/dbraw/zinc/36/93/99/487369399.db2.gz AAXXSWFDCNDOLP-UHFFFAOYSA-N 0 3 197.278 0.790 20 0 ACADHN C[C@H]1C[C@H]1CN1CCc2nn[nH]c2C1 668791683 487369424 /nfs/dbraw/zinc/36/94/24/487369424.db2.gz VWCAZGCEQHVBFL-YUMQZZPRSA-N 0 3 192.266 0.819 20 0 ACADHN C[C@H]1C[C@H]1CN1CCc2n[nH]nc2C1 668791683 487369425 /nfs/dbraw/zinc/36/94/25/487369425.db2.gz VWCAZGCEQHVBFL-YUMQZZPRSA-N 0 3 192.266 0.819 20 0 ACADHN C[C@@H](N[C@H]1C[C@@](C)(O)C1)c1cn[nH]c1 669426956 487372504 /nfs/dbraw/zinc/37/25/04/487372504.db2.gz DYLXGZPRHVNRKY-QNSHHTMESA-N 0 3 195.266 0.974 20 0 ACADHN C[C@H](N[C@H]1C[C@@](C)(O)C1)c1cn[nH]c1 669426957 487372544 /nfs/dbraw/zinc/37/25/44/487372544.db2.gz DYLXGZPRHVNRKY-UJNFCWOMSA-N 0 3 195.266 0.974 20 0 ACADHN CO[N-]C(=O)C1CC[NH+](C)CC1 145838589 582456358 /nfs/dbraw/zinc/45/63/58/582456358.db2.gz YLMSZELJOKOCAM-UHFFFAOYSA-N 0 3 172.228 0.006 20 0 ACADHN CONC(=O)C1CCN(C)CC1 145838589 582456359 /nfs/dbraw/zinc/45/63/59/582456359.db2.gz YLMSZELJOKOCAM-UHFFFAOYSA-N 0 3 172.228 0.006 20 0 ACADHN CON(C)C(=O)[C@@H](C)NC(C)C 858587297 582456440 /nfs/dbraw/zinc/45/64/40/582456440.db2.gz QAYWVMCNESFWMX-SSDOTTSWSA-N 0 3 174.244 0.393 20 0 ACADHN C#CCN1CCN(CCCCO)CC1 142127090 582472488 /nfs/dbraw/zinc/47/24/88/582472488.db2.gz VIDFJHMBJVRMKU-UHFFFAOYSA-N 0 3 196.294 0.010 20 0 ACADHN CN(C)CCN(C)C(=O)c1ccc[nH]1 169812491 582474362 /nfs/dbraw/zinc/47/43/62/582474362.db2.gz QHMPPHRCJKMDMB-UHFFFAOYSA-N 0 3 195.266 0.648 20 0 ACADHN Cc1nc2ncc3c(n2n1)CCNC3 236006720 582475563 /nfs/dbraw/zinc/47/55/63/582475563.db2.gz MBFUDEMNVFRPLZ-UHFFFAOYSA-N 0 3 189.222 0.078 20 0 ACADHN Cc1cc(N)nc(NCCCO)n1 891409846 582477699 /nfs/dbraw/zinc/47/76/99/582477699.db2.gz LQEQFVFZSDCDMG-UHFFFAOYSA-N 0 3 182.227 0.162 20 0 ACADHN CC[C@H](CO)Nc1nc(C)cc(N)n1 891413419 582477858 /nfs/dbraw/zinc/47/78/58/582477858.db2.gz QFVBJCSUONVNMB-SSDOTTSWSA-N 0 3 196.254 0.550 20 0 ACADHN CC[C@@H](CO)Nc1nc(C)cc(N)n1 891413420 582477942 /nfs/dbraw/zinc/47/79/42/582477942.db2.gz QFVBJCSUONVNMB-ZETCQYMHSA-N 0 3 196.254 0.550 20 0 ACADHN COC[C@H](C)Nc1nc(C)cc(N)n1 891438535 582478279 /nfs/dbraw/zinc/47/82/79/582478279.db2.gz OJGOZDLEBOKDQL-ZETCQYMHSA-N 0 3 196.254 0.814 20 0 ACADHN COC[C@@H](C)Nc1nc(C)cc(N)n1 891438534 582478285 /nfs/dbraw/zinc/47/82/85/582478285.db2.gz OJGOZDLEBOKDQL-SSDOTTSWSA-N 0 3 196.254 0.814 20 0 ACADHN Cc1cc(N)nc(NC[C@@H](C)O)n1 891437609 582478323 /nfs/dbraw/zinc/47/83/23/582478323.db2.gz VAQBCTBJKSFQGQ-ZCFIWIBFSA-N 0 3 182.227 0.160 20 0 ACADHN Cc1cc(N)nc(NC[C@H](C)O)n1 891437606 582478340 /nfs/dbraw/zinc/47/83/40/582478340.db2.gz VAQBCTBJKSFQGQ-LURJTMIESA-N 0 3 182.227 0.160 20 0 ACADHN CCNCC(=O)NCC(C)(C)OC 133466725 582479200 /nfs/dbraw/zinc/47/92/00/582479200.db2.gz XELSAOZYOHEQLH-UHFFFAOYSA-N 0 3 188.271 0.137 20 0 ACADHN CNC(=O)NCCN1CCC(C)(C)C1 891943325 582479284 /nfs/dbraw/zinc/47/92/84/582479284.db2.gz GMVZHUVFFBHTIB-UHFFFAOYSA-N 0 3 199.298 0.647 20 0 ACADHN CCOCCNc1nc(C)cc(N)n1 891883825 582479287 /nfs/dbraw/zinc/47/92/87/582479287.db2.gz FTXRLWZQHHPIOY-UHFFFAOYSA-N 0 3 196.254 0.816 20 0 ACADHN C[C@H]1CCN(CCN2CCOC2=O)C1 725803061 582484024 /nfs/dbraw/zinc/48/40/24/582484024.db2.gz DDAAYRPMRIADLJ-VIFPVBQESA-N 0 3 198.266 0.780 20 0 ACADHN C[C@@H]1CCN(CCN2CCOC2=O)C1 725803060 582484083 /nfs/dbraw/zinc/48/40/83/582484083.db2.gz DDAAYRPMRIADLJ-SECBINFHSA-N 0 3 198.266 0.780 20 0 ACADHN O=Cc1ccc(N2CCNCC2)cn1 200539251 582484571 /nfs/dbraw/zinc/48/45/71/582484571.db2.gz XWADDXVQSVMSFE-UHFFFAOYSA-N 0 3 191.234 0.304 20 0 ACADHN O[C@H]1CCN(CC2=CCCOC2)C1 306210014 582485752 /nfs/dbraw/zinc/48/57/52/582485752.db2.gz BVDABRZNEMOPGL-JTQLQIEISA-N 0 3 183.251 0.400 20 0 ACADHN CCn1cc(CNC[C@H](C)O)c(C)n1 892442009 582489213 /nfs/dbraw/zinc/48/92/13/582489213.db2.gz XKYPAOYISVNRJG-QMMMGPOBSA-N 0 3 197.282 0.682 20 0 ACADHN COC[C@@H](C)N[C@H](C)COC(C)=O 892443141 582489316 /nfs/dbraw/zinc/48/93/16/582489316.db2.gz AUBBBMLDSNQPGJ-HTQZYQBOSA-N 0 3 189.255 0.563 20 0 ACADHN Cc1cc(F)ncc1CNC[C@@H](C)O 892441059 582489263 /nfs/dbraw/zinc/48/92/63/582489263.db2.gz IROLXGWHCRCWKK-MRVPVSSYSA-N 0 3 198.241 1.000 20 0 ACADHN CCn1cc(CNC[C@@H](C)O)c(C)n1 892442008 582489368 /nfs/dbraw/zinc/48/93/68/582489368.db2.gz XKYPAOYISVNRJG-MRVPVSSYSA-N 0 3 197.282 0.682 20 0 ACADHN COCCN[C@@H](C)COC(C)=O 892429437 582489414 /nfs/dbraw/zinc/48/94/14/582489414.db2.gz JYTOJFGQTXIWRN-ZETCQYMHSA-N 0 3 175.228 0.174 20 0 ACADHN Cc1cc(F)ncc1CNC[C@H](C)O 892441060 582489426 /nfs/dbraw/zinc/48/94/26/582489426.db2.gz IROLXGWHCRCWKK-QMMMGPOBSA-N 0 3 198.241 1.000 20 0 ACADHN Cc1cc(CNC[C@H](C)O)cnc1F 892440543 582489432 /nfs/dbraw/zinc/48/94/32/582489432.db2.gz DLRILZZOXCDZHB-QMMMGPOBSA-N 0 3 198.241 1.000 20 0 ACADHN Cc1cc(CNC[C@@H](C)O)cnc1F 892440539 582489512 /nfs/dbraw/zinc/48/95/12/582489512.db2.gz DLRILZZOXCDZHB-MRVPVSSYSA-N 0 3 198.241 1.000 20 0 ACADHN COC[C@@H](C)N[C@@H](C)COC(C)=O 892443143 582489630 /nfs/dbraw/zinc/48/96/30/582489630.db2.gz AUBBBMLDSNQPGJ-SFYZADRCSA-N 0 3 189.255 0.563 20 0 ACADHN COC[C@H](C)N[C@@H](C)COC(C)=O 892443144 582489532 /nfs/dbraw/zinc/48/95/32/582489532.db2.gz AUBBBMLDSNQPGJ-YUMQZZPRSA-N 0 3 189.255 0.563 20 0 ACADHN COC[C@H](C)N[C@H](C)COC(C)=O 892443142 582489549 /nfs/dbraw/zinc/48/95/49/582489549.db2.gz AUBBBMLDSNQPGJ-JGVFFNPUSA-N 0 3 189.255 0.563 20 0 ACADHN CCN1CCN(CCCO)C[C@@H]1C 82484246 582490678 /nfs/dbraw/zinc/49/06/78/582490678.db2.gz SKOCCOOBPYOKQB-JTQLQIEISA-N 0 3 186.299 0.395 20 0 ACADHN CN1CCN(CCO)CC1(C)C 82484275 582490780 /nfs/dbraw/zinc/49/07/80/582490780.db2.gz LTEUPRATGSLSLD-UHFFFAOYSA-N 0 3 172.272 0.005 20 0 ACADHN Cc1cc(N)nc(NCC[C@H](C)O)n1 892541089 582491148 /nfs/dbraw/zinc/49/11/48/582491148.db2.gz YCYFNWYRZQLHNO-ZETCQYMHSA-N 0 3 196.254 0.550 20 0 ACADHN CCOCCN(C)C1CC(O)C1 393328876 582492212 /nfs/dbraw/zinc/49/22/12/582492212.db2.gz YCEMKMGSYJTDDT-UHFFFAOYSA-N 0 3 173.256 0.478 20 0 ACADHN OCCN[C@H](CCO)c1ccccc1 393692780 582492905 /nfs/dbraw/zinc/49/29/05/582492905.db2.gz YTEZPBUNMXYXQY-LLVKDONJSA-N 0 3 195.262 0.692 20 0 ACADHN C[C@@H](NCc1cn[nH]n1)[C@@H]1CCCO1 393689231 582493153 /nfs/dbraw/zinc/49/31/53/582493153.db2.gz ZHWYEHBPEMRHDB-APPZFPTMSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@@H](NCc1c[nH]nn1)[C@@H]1CCCO1 393689231 582493156 /nfs/dbraw/zinc/49/31/56/582493156.db2.gz ZHWYEHBPEMRHDB-APPZFPTMSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@@H](NCc1cn[nH]n1)[C@H]1CCCO1 393689236 582493419 /nfs/dbraw/zinc/49/34/19/582493419.db2.gz ZHWYEHBPEMRHDB-VXNVDRBHSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@@H](NCc1c[nH]nn1)[C@H]1CCCO1 393689236 582493421 /nfs/dbraw/zinc/49/34/21/582493421.db2.gz ZHWYEHBPEMRHDB-VXNVDRBHSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@H](NCc1cn[nH]n1)[C@@H]1CCCO1 393689233 582493441 /nfs/dbraw/zinc/49/34/41/582493441.db2.gz ZHWYEHBPEMRHDB-CBAPKCEASA-N 0 3 196.254 0.462 20 0 ACADHN C[C@H](NCc1c[nH]nn1)[C@@H]1CCCO1 393689233 582493442 /nfs/dbraw/zinc/49/34/42/582493442.db2.gz ZHWYEHBPEMRHDB-CBAPKCEASA-N 0 3 196.254 0.462 20 0 ACADHN C[C@H](NCc1cn[nH]n1)[C@H]1CCCO1 393689234 582493610 /nfs/dbraw/zinc/49/36/10/582493610.db2.gz ZHWYEHBPEMRHDB-IONNQARKSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@H](NCc1c[nH]nn1)[C@H]1CCCO1 393689234 582493612 /nfs/dbraw/zinc/49/36/12/582493612.db2.gz ZHWYEHBPEMRHDB-IONNQARKSA-N 0 3 196.254 0.462 20 0 ACADHN OCCN[C@@H](CCO)c1ccccc1 393692784 582493715 /nfs/dbraw/zinc/49/37/15/582493715.db2.gz YTEZPBUNMXYXQY-NSHDSACASA-N 0 3 195.262 0.692 20 0 ACADHN COC[C@@H](C)N[C@@H](CO)CC(F)F 393720796 582494601 /nfs/dbraw/zinc/49/46/01/582494601.db2.gz FTBUMJGPCSSXMK-RNFRBKRXSA-N 0 3 197.225 0.627 20 0 ACADHN COC[C@H](C)N[C@H](CO)CC(F)F 393720794 582494694 /nfs/dbraw/zinc/49/46/94/582494694.db2.gz FTBUMJGPCSSXMK-BQBZGAKWSA-N 0 3 197.225 0.627 20 0 ACADHN COC[C@H](C)N[C@@H](CO)CC(F)F 393720795 582494713 /nfs/dbraw/zinc/49/47/13/582494713.db2.gz FTBUMJGPCSSXMK-NKWVEPMBSA-N 0 3 197.225 0.627 20 0 ACADHN COC[C@@H](C)N[C@H](CO)CC(F)F 393720797 582494771 /nfs/dbraw/zinc/49/47/71/582494771.db2.gz FTBUMJGPCSSXMK-RQJHMYQMSA-N 0 3 197.225 0.627 20 0 ACADHN Cc1cc(CN[C@H](C)CO)cnc1F 892668237 582495792 /nfs/dbraw/zinc/49/57/92/582495792.db2.gz DNTRLNYIEVMAFV-MRVPVSSYSA-N 0 3 198.241 1.000 20 0 ACADHN COc1ccc(CN[C@H](C)CO)nc1 892669384 582495808 /nfs/dbraw/zinc/49/58/08/582495808.db2.gz SFROOLLQPZTTCC-MRVPVSSYSA-N 0 3 196.250 0.561 20 0 ACADHN CCn1cc(CN[C@H](C)CO)c(C)n1 892670020 582495837 /nfs/dbraw/zinc/49/58/37/582495837.db2.gz ZJEWXWUXWQBHHY-MRVPVSSYSA-N 0 3 197.282 0.682 20 0 ACADHN Cc1cc(F)ncc1CN[C@H](C)CO 892669512 582495915 /nfs/dbraw/zinc/49/59/15/582495915.db2.gz SLWZQQLWNDRZDM-MRVPVSSYSA-N 0 3 198.241 1.000 20 0 ACADHN CCNC(=O)NC[C@@H]1CCCN1CC 135723413 582496447 /nfs/dbraw/zinc/49/64/47/582496447.db2.gz BSMHYAIBHKINPR-VIFPVBQESA-N 0 3 199.298 0.790 20 0 ACADHN CCNC(=O)NC[C@H]1CCCN1CC 135723460 582496672 /nfs/dbraw/zinc/49/66/72/582496672.db2.gz BSMHYAIBHKINPR-SECBINFHSA-N 0 3 199.298 0.790 20 0 ACADHN CCN[C@H](C)C(=O)NCC(F)(F)F 135780925 582496863 /nfs/dbraw/zinc/49/68/63/582496863.db2.gz PYLWESPYILKCQU-RXMQYKEDSA-N 0 3 198.188 0.663 20 0 ACADHN CCN[C@@H](C)C(=O)NCC(F)(F)F 135780887 582497351 /nfs/dbraw/zinc/49/73/51/582497351.db2.gz PYLWESPYILKCQU-YFKPBYRVSA-N 0 3 198.188 0.663 20 0 ACADHN Cc1cc(N)nc(N[C@@H]2CCOC2)n1 892953888 582497535 /nfs/dbraw/zinc/49/75/35/582497535.db2.gz MVIHTBOLCISQKK-SSDOTTSWSA-N 0 3 194.238 0.568 20 0 ACADHN CNCC(=O)N1C[C@H](C)C[C@@H](C)C1 19518109 582501936 /nfs/dbraw/zinc/50/19/36/582501936.db2.gz GQLWCJPVCWFLRO-RKDXNWHRSA-N 0 3 184.283 0.710 20 0 ACADHN Cc1cc(N)nc(N[C@H]2CCOC2)n1 892953889 582497938 /nfs/dbraw/zinc/49/79/38/582497938.db2.gz MVIHTBOLCISQKK-ZETCQYMHSA-N 0 3 194.238 0.568 20 0 ACADHN CCn1cc(CN[C@@H](C)CO)c(C)n1 893096001 582498599 /nfs/dbraw/zinc/49/85/99/582498599.db2.gz ZJEWXWUXWQBHHY-QMMMGPOBSA-N 0 3 197.282 0.682 20 0 ACADHN COc1ccc(CN[C@@H](C)CO)nc1 893095745 582498604 /nfs/dbraw/zinc/49/86/04/582498604.db2.gz SFROOLLQPZTTCC-QMMMGPOBSA-N 0 3 196.250 0.561 20 0 ACADHN Cc1cc(F)ncc1CN[C@@H](C)CO 893095757 582498882 /nfs/dbraw/zinc/49/88/82/582498882.db2.gz SLWZQQLWNDRZDM-QMMMGPOBSA-N 0 3 198.241 1.000 20 0 ACADHN Cc1cc(CN[C@@H](C)CO)cnc1F 893094907 582498893 /nfs/dbraw/zinc/49/88/93/582498893.db2.gz DNTRLNYIEVMAFV-QMMMGPOBSA-N 0 3 198.241 1.000 20 0 ACADHN CC(=O)OC[C@@H](C)N[C@@H]1CCOC1 893183609 582500107 /nfs/dbraw/zinc/50/01/07/582500107.db2.gz YJOQSCCBUBSQKK-VXNVDRBHSA-N 0 3 187.239 0.317 20 0 ACADHN CC(=O)OC[C@H](C)N[C@@H]1CCOC1 893183608 582500116 /nfs/dbraw/zinc/50/01/16/582500116.db2.gz YJOQSCCBUBSQKK-IONNQARKSA-N 0 3 187.239 0.317 20 0 ACADHN CC(=O)OC[C@@H](C)N[C@H]1CCOC1 893183605 582500164 /nfs/dbraw/zinc/50/01/64/582500164.db2.gz YJOQSCCBUBSQKK-APPZFPTMSA-N 0 3 187.239 0.317 20 0 ACADHN CC(=O)OC[C@H](C)N[C@H]1CCOC1 893183606 582500397 /nfs/dbraw/zinc/50/03/97/582500397.db2.gz YJOQSCCBUBSQKK-CBAPKCEASA-N 0 3 187.239 0.317 20 0 ACADHN CNCC(=O)N1C[C@@H](C)C[C@@H](C)C1 19518108 582501856 /nfs/dbraw/zinc/50/18/56/582501856.db2.gz GQLWCJPVCWFLRO-DTORHVGOSA-N 0 3 184.283 0.710 20 0 ACADHN CNCC(=O)N1C[C@@H](C)C[C@H](C)C1 19518110 582502085 /nfs/dbraw/zinc/50/20/85/582502085.db2.gz GQLWCJPVCWFLRO-IUCAKERBSA-N 0 3 184.283 0.710 20 0 ACADHN Cc1cc(F)ncc1CNCCO 893324322 582502298 /nfs/dbraw/zinc/50/22/98/582502298.db2.gz SJLWWKKXDYXJJZ-UHFFFAOYSA-N 0 3 184.214 0.611 20 0 ACADHN Cn1cc(CNCCO)c(C2CC2)n1 893323963 582502356 /nfs/dbraw/zinc/50/23/56/582502356.db2.gz MEKIJKUSYQXQCK-UHFFFAOYSA-N 0 3 195.266 0.379 20 0 ACADHN Cn1ncc(CNCCO)c1C1CC1 893323334 582502369 /nfs/dbraw/zinc/50/23/69/582502369.db2.gz BUVKVQSLMRUMEQ-UHFFFAOYSA-N 0 3 195.266 0.379 20 0 ACADHN Cc1cc(CNCCO)cnc1F 893324564 582502399 /nfs/dbraw/zinc/50/23/99/582502399.db2.gz VLDPXDXRISRLOX-UHFFFAOYSA-N 0 3 184.214 0.611 20 0 ACADHN COc1ccc(CNCCO)nc1 893324041 582502407 /nfs/dbraw/zinc/50/24/07/582502407.db2.gz NIMPPBXFVXXIOU-UHFFFAOYSA-N 0 3 182.223 0.172 20 0 ACADHN O=C1CCN1CN1CC[C@H](C2CC2)C1 857235197 582504883 /nfs/dbraw/zinc/50/48/83/582504883.db2.gz ZRYNECHPVQFCBT-JTQLQIEISA-N 0 3 194.278 0.908 20 0 ACADHN O=C1CCN1CN1CC[C@@H](C2CC2)C1 857235198 582504838 /nfs/dbraw/zinc/50/48/38/582504838.db2.gz ZRYNECHPVQFCBT-SNVBAGLBSA-N 0 3 194.278 0.908 20 0 ACADHN CO[C@@H](C)CNc1nc(C)cc(N)n1 893397241 582504852 /nfs/dbraw/zinc/50/48/52/582504852.db2.gz PMZXJAQEWFKAMK-ZETCQYMHSA-N 0 3 196.254 0.814 20 0 ACADHN CO[C@H](C)CNc1nc(C)cc(N)n1 893397240 582504898 /nfs/dbraw/zinc/50/48/98/582504898.db2.gz PMZXJAQEWFKAMK-SSDOTTSWSA-N 0 3 196.254 0.814 20 0 ACADHN OCCN1CCOCC12CCCC2 307581846 582506079 /nfs/dbraw/zinc/50/60/79/582506079.db2.gz SMVAYXQXLGNXKC-UHFFFAOYSA-N 0 3 185.267 0.624 20 0 ACADHN COC(=O)[C@@H]1CCC[C@@H]1NCC(C)=O 602837331 582506295 /nfs/dbraw/zinc/50/62/95/582506295.db2.gz UOACQJIQFKJYHE-BDAKNGLRSA-N 0 3 199.250 0.507 20 0 ACADHN COCCN1CC[C@@H](OC)C1 219445634 582506501 /nfs/dbraw/zinc/50/65/01/582506501.db2.gz VCSFHVPSXHSAHE-MRVPVSSYSA-N 0 3 159.229 0.354 20 0 ACADHN Cc1ncoc1CN1CC[C@@H](CO)C1 893985515 582508550 /nfs/dbraw/zinc/50/85/50/582508550.db2.gz FLINRKUCFKYNCX-SECBINFHSA-N 0 3 196.250 0.797 20 0 ACADHN Cc1ncoc1CN1CC[C@H](CO)C1 893985516 582508987 /nfs/dbraw/zinc/50/89/87/582508987.db2.gz FLINRKUCFKYNCX-VIFPVBQESA-N 0 3 196.250 0.797 20 0 ACADHN CCCN(C)[C@@H]1CCCCNC1=O 726866835 582511763 /nfs/dbraw/zinc/51/17/63/582511763.db2.gz QMQNDZHKZAFYSL-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CCCN(C)[C@H]1CCCCNC1=O 726866846 582511777 /nfs/dbraw/zinc/51/17/77/582511777.db2.gz QMQNDZHKZAFYSL-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN O=C1CN(CC2CCCC2)CCCN1 726843349 582511983 /nfs/dbraw/zinc/51/19/83/582511983.db2.gz BPKVXBWHBJWAIG-UHFFFAOYSA-N 0 3 196.294 0.999 20 0 ACADHN COCCOC[C@H](C)NCCF 894223208 582512274 /nfs/dbraw/zinc/51/22/74/582512274.db2.gz SMQDBLUAEGZGCP-QMMMGPOBSA-N 0 3 179.235 0.597 20 0 ACADHN COCCOC[C@@H](C)NCCF 894223203 582512410 /nfs/dbraw/zinc/51/24/10/582512410.db2.gz SMQDBLUAEGZGCP-MRVPVSSYSA-N 0 3 179.235 0.597 20 0 ACADHN Cc1ncoc1CNCC(C)(C)O 894262322 582512711 /nfs/dbraw/zinc/51/27/11/582512711.db2.gz ZDVQORJKUPAZBC-UHFFFAOYSA-N 0 3 184.239 0.844 20 0 ACADHN Cc1ncoc1CNCC1(O)CCC1 894262243 582513046 /nfs/dbraw/zinc/51/30/46/582513046.db2.gz XULRPEBVIBEOOJ-UHFFFAOYSA-N 0 3 196.250 0.988 20 0 ACADHN Cc1ncoc1CN[C@@H](C)CCO 894283844 582513519 /nfs/dbraw/zinc/51/35/19/582513519.db2.gz KMWUYZDDLMEUCL-ZETCQYMHSA-N 0 3 184.239 0.844 20 0 ACADHN Cc1ncoc1CN[C@H](CO)C1CC1 894270714 582513604 /nfs/dbraw/zinc/51/36/04/582513604.db2.gz YRZSLFPVSWINSE-SECBINFHSA-N 0 3 196.250 0.844 20 0 ACADHN c1cnc(N2CCN3CC[C@H]2C3)nc1 307163873 582513702 /nfs/dbraw/zinc/51/37/02/582513702.db2.gz DBVSXERYKWQLNH-VIFPVBQESA-N 0 3 190.250 0.371 20 0 ACADHN Cc1ncoc1CN[C@H](C)CCO 894283843 582513753 /nfs/dbraw/zinc/51/37/53/582513753.db2.gz KMWUYZDDLMEUCL-SSDOTTSWSA-N 0 3 184.239 0.844 20 0 ACADHN Cc1ncoc1CN[C@@H](CO)C1CC1 894270715 582513818 /nfs/dbraw/zinc/51/38/18/582513818.db2.gz YRZSLFPVSWINSE-VIFPVBQESA-N 0 3 196.250 0.844 20 0 ACADHN Cc1ncoc1CNCC[C@H](C)O 894273649 582513897 /nfs/dbraw/zinc/51/38/97/582513897.db2.gz QPOIKSPLWCKIJZ-ZETCQYMHSA-N 0 3 184.239 0.844 20 0 ACADHN CSCC[C@@H](C)NC(=O)CN 147370064 582515689 /nfs/dbraw/zinc/51/56/89/582515689.db2.gz VEDPILUGGGHSEB-ZCFIWIBFSA-N 0 3 176.285 0.203 20 0 ACADHN Cc1nc([C@H](C)N[C@H](C)CCO)n[nH]1 894468139 582515824 /nfs/dbraw/zinc/51/58/24/582515824.db2.gz UBMGTTQHJIRTLH-RQJHMYQMSA-N 0 3 198.270 0.535 20 0 ACADHN Cc1nc([C@@H](C)N[C@@H](C)CCO)n[nH]1 894468136 582516014 /nfs/dbraw/zinc/51/60/14/582516014.db2.gz UBMGTTQHJIRTLH-NKWVEPMBSA-N 0 3 198.270 0.535 20 0 ACADHN CSCC[C@H](C)NC(=O)CN 147370277 582516255 /nfs/dbraw/zinc/51/62/55/582516255.db2.gz VEDPILUGGGHSEB-LURJTMIESA-N 0 3 176.285 0.203 20 0 ACADHN Cc1nc([C@@H](C)N[C@H](C)CCO)n[nH]1 894468137 582516281 /nfs/dbraw/zinc/51/62/81/582516281.db2.gz UBMGTTQHJIRTLH-RNFRBKRXSA-N 0 3 198.270 0.535 20 0 ACADHN Cc1nc([C@H](C)N[C@@H](C)CCO)n[nH]1 894468129 582516305 /nfs/dbraw/zinc/51/63/05/582516305.db2.gz UBMGTTQHJIRTLH-BQBZGAKWSA-N 0 3 198.270 0.535 20 0 ACADHN Cc1ncoc1CNCCCCO 894579794 582516629 /nfs/dbraw/zinc/51/66/29/582516629.db2.gz OTWJTBFOSXRCDQ-UHFFFAOYSA-N 0 3 184.239 0.845 20 0 ACADHN c1cc(CNC[C@@H]2COCO2)ccn1 894869752 582520468 /nfs/dbraw/zinc/52/04/68/582520468.db2.gz DSXAXRPYBQSVDS-SNVBAGLBSA-N 0 3 194.234 0.544 20 0 ACADHN Cn1cccc1CNC[C@H]1COCO1 894872124 582520588 /nfs/dbraw/zinc/52/05/88/582520588.db2.gz YSEBFZBLZDHZNL-JTQLQIEISA-N 0 3 196.250 0.488 20 0 ACADHN CC[C@@H](O)CNc1nc(C)cc(N)n1 894552026 582516815 /nfs/dbraw/zinc/51/68/15/582516815.db2.gz XYINPOIODRBMOU-SSDOTTSWSA-N 0 3 196.254 0.550 20 0 ACADHN Cc1cc(N)nc(N[C@H]2C[C@H](O)C2)n1 894640407 582517258 /nfs/dbraw/zinc/51/72/58/582517258.db2.gz CDGZLMXJRUYSQG-LJGSYFOKSA-N 0 3 194.238 0.302 20 0 ACADHN CC(=O)OC[C@@H](C)N[C@H]1C[C@@H](O)C1 894779372 582517727 /nfs/dbraw/zinc/51/77/27/582517727.db2.gz XFKIVNWXGKLMOZ-VDAHYXPESA-N 0 3 187.239 0.051 20 0 ACADHN CC(=O)OC[C@H](C)N[C@H]1C[C@@H](O)C1 894779371 582517901 /nfs/dbraw/zinc/51/79/01/582517901.db2.gz XFKIVNWXGKLMOZ-CNUIFLNQSA-N 0 3 187.239 0.051 20 0 ACADHN Cc1ncoc1CN(C)CCN(C)C 894762461 582517960 /nfs/dbraw/zinc/51/79/60/582517960.db2.gz GSKIJNXOTPCRTO-UHFFFAOYSA-N 0 3 197.282 0.976 20 0 ACADHN FC1CCN(CCn2cncn2)CC1 880239533 582518120 /nfs/dbraw/zinc/51/81/20/582518120.db2.gz KGWXZOHUXLGMTM-UHFFFAOYSA-N 0 3 198.245 0.712 20 0 ACADHN Cc1cc(N)nn1C[C@H]1CCCN1C 306697514 582519969 /nfs/dbraw/zinc/51/99/69/582519969.db2.gz ZOIWAPNLCKABIO-SECBINFHSA-N 0 3 194.282 0.868 20 0 ACADHN c1ccc(CNC[C@@H]2COCO2)nc1 894872090 582520231 /nfs/dbraw/zinc/52/02/31/582520231.db2.gz XQLCYNIJCHUWON-SNVBAGLBSA-N 0 3 194.234 0.544 20 0 ACADHN Cc1n[nH]cc1CNC[C@H]1COCO1 894870835 582520238 /nfs/dbraw/zinc/52/02/38/582520238.db2.gz NPPNADAYMZXIJG-VIFPVBQESA-N 0 3 197.238 0.181 20 0 ACADHN Cn1cccc1CNC[C@@H]1COCO1 894872125 582520379 /nfs/dbraw/zinc/52/03/79/582520379.db2.gz YSEBFZBLZDHZNL-SNVBAGLBSA-N 0 3 196.250 0.488 20 0 ACADHN c1cncc(CNC[C@@H]2COCO2)c1 894869789 582520435 /nfs/dbraw/zinc/52/04/35/582520435.db2.gz FASQGWTWOVHCGD-SNVBAGLBSA-N 0 3 194.234 0.544 20 0 ACADHN c1cncc(CNC[C@H]2COCO2)c1 894869788 582520438 /nfs/dbraw/zinc/52/04/38/582520438.db2.gz FASQGWTWOVHCGD-JTQLQIEISA-N 0 3 194.234 0.544 20 0 ACADHN CC[C@@H](N)c1nc(C2(N)CCC2)no1 306929222 582520594 /nfs/dbraw/zinc/52/05/94/582520594.db2.gz CJXJZAADDPESFD-ZCFIWIBFSA-N 0 3 196.254 0.817 20 0 ACADHN c1cc(CNC[C@H]2COCO2)ccn1 894869749 582520633 /nfs/dbraw/zinc/52/06/33/582520633.db2.gz DSXAXRPYBQSVDS-JTQLQIEISA-N 0 3 194.234 0.544 20 0 ACADHN c1ccc(CNC[C@H]2COCO2)nc1 894872088 582520687 /nfs/dbraw/zinc/52/06/87/582520687.db2.gz XQLCYNIJCHUWON-JTQLQIEISA-N 0 3 194.234 0.544 20 0 ACADHN Cn1ccc(CNC[C@H]2COCO2)c1 894877293 582520724 /nfs/dbraw/zinc/52/07/24/582520724.db2.gz YTCCSMMKVVFTCQ-JTQLQIEISA-N 0 3 196.250 0.488 20 0 ACADHN Cc1n[nH]cc1CNC[C@@H]1COCO1 894870834 582520758 /nfs/dbraw/zinc/52/07/58/582520758.db2.gz NPPNADAYMZXIJG-SECBINFHSA-N 0 3 197.238 0.181 20 0 ACADHN CCc1cc(NC(=O)CNC)n(C)n1 306929335 582520781 /nfs/dbraw/zinc/52/07/81/582520781.db2.gz BOIAJLQACMKUHF-UHFFFAOYSA-N 0 3 196.254 0.140 20 0 ACADHN Cn1ccc(CNC[C@@H]2COCO2)c1 894877294 582521213 /nfs/dbraw/zinc/52/12/13/582521213.db2.gz YTCCSMMKVVFTCQ-SNVBAGLBSA-N 0 3 196.250 0.488 20 0 ACADHN O[C@H]1C[C@@H](NCc2c[nH]cn2)C1 894942686 582521758 /nfs/dbraw/zinc/52/17/58/582521758.db2.gz YZWZIPCMBDUBNH-WRXNHJIOSA-N 0 3 167.212 0.023 20 0 ACADHN O[C@H]1C[C@@H](NCc2cnc[nH]2)C1 894942686 582521759 /nfs/dbraw/zinc/52/17/59/582521759.db2.gz YZWZIPCMBDUBNH-WRXNHJIOSA-N 0 3 167.212 0.023 20 0 ACADHN COC(=O)N1CCC[C@@H](N(C)C)C1 123055403 582522006 /nfs/dbraw/zinc/52/20/06/582522006.db2.gz VPYDMINPXDHMCZ-MRVPVSSYSA-N 0 3 186.255 0.779 20 0 ACADHN Cc1ncoc1CN[C@@H]1CCC[C@H]1O 894969233 582522089 /nfs/dbraw/zinc/52/20/89/582522089.db2.gz ALICFONZSOSPCL-RKDXNWHRSA-N 0 3 196.250 0.986 20 0 ACADHN CSCCCOC1CNC1 129543513 582522892 /nfs/dbraw/zinc/52/28/92/582522892.db2.gz JXKXYTKDJOHSQY-UHFFFAOYSA-N 0 3 161.270 0.728 20 0 ACADHN OC[C@H](CCF)NCc1c[nH]cn1 895148392 582523909 /nfs/dbraw/zinc/52/39/09/582523909.db2.gz GXLKFWABOCMDGK-ZETCQYMHSA-N 0 3 187.218 0.220 20 0 ACADHN OC[C@H](CCF)NCc1cnc[nH]1 895148392 582523911 /nfs/dbraw/zinc/52/39/11/582523911.db2.gz GXLKFWABOCMDGK-ZETCQYMHSA-N 0 3 187.218 0.220 20 0 ACADHN OC[C@@H](CCF)NCc1c[nH]cn1 895148391 582523923 /nfs/dbraw/zinc/52/39/23/582523923.db2.gz GXLKFWABOCMDGK-SSDOTTSWSA-N 0 3 187.218 0.220 20 0 ACADHN OC[C@@H](CCF)NCc1cnc[nH]1 895148391 582523924 /nfs/dbraw/zinc/52/39/24/582523924.db2.gz GXLKFWABOCMDGK-SSDOTTSWSA-N 0 3 187.218 0.220 20 0 ACADHN CC1=NO[C@H](CN[C@@H]2CO[C@H](C)C2)C1 895300720 582526623 /nfs/dbraw/zinc/52/66/23/582526623.db2.gz RSAGPWCOQUKEAX-UTLUCORTSA-N 0 3 198.266 0.918 20 0 ACADHN CC1=NO[C@H](CN[C@H]2CCO[C@@H]2C)C1 895308052 582526627 /nfs/dbraw/zinc/52/66/27/582526627.db2.gz GYBYUTSVJYUWIS-UTLUCORTSA-N 0 3 198.266 0.918 20 0 ACADHN CC1=NO[C@H](CN[C@H]2CO[C@@H](C)C2)C1 895300717 582526631 /nfs/dbraw/zinc/52/66/31/582526631.db2.gz RSAGPWCOQUKEAX-AEJSXWLSSA-N 0 3 198.266 0.918 20 0 ACADHN COC1CC(NC[C@@H]2CC(C)=NO2)C1 895302838 582526668 /nfs/dbraw/zinc/52/66/68/582526668.db2.gz BQCKCTWLOUCAMK-RTBKNWGFSA-N 0 3 198.266 0.918 20 0 ACADHN CC1=NO[C@H](CN[C@@H]2CO[C@@H](C)C2)C1 895300719 582526678 /nfs/dbraw/zinc/52/66/78/582526678.db2.gz RSAGPWCOQUKEAX-GUBZILKMSA-N 0 3 198.266 0.918 20 0 ACADHN CC(C)NC(=O)c1cc(CN)ccn1 213714463 582525906 /nfs/dbraw/zinc/52/59/06/582525906.db2.gz WVIAPHJJZQQNBL-UHFFFAOYSA-N 0 3 193.250 0.679 20 0 ACADHN CO[C@@H](C)CN1CCCOCC1 335520420 582526187 /nfs/dbraw/zinc/52/61/87/582526187.db2.gz ZDRFLINORVCFAU-VIFPVBQESA-N 0 3 173.256 0.744 20 0 ACADHN CO[C@H](C)CN1CCCOCC1 335520407 582526214 /nfs/dbraw/zinc/52/62/14/582526214.db2.gz ZDRFLINORVCFAU-SECBINFHSA-N 0 3 173.256 0.744 20 0 ACADHN CC1=NO[C@H](CN[C@H]2CCO[C@H]2C)C1 895308049 582526400 /nfs/dbraw/zinc/52/64/00/582526400.db2.gz GYBYUTSVJYUWIS-GUBZILKMSA-N 0 3 198.266 0.918 20 0 ACADHN CC1=NO[C@H](CN[C@H]2CO[C@H](C)C2)C1 895300718 582526404 /nfs/dbraw/zinc/52/64/04/582526404.db2.gz RSAGPWCOQUKEAX-BBBLOLIVSA-N 0 3 198.266 0.918 20 0 ACADHN CC1=NO[C@H](CN[C@@H]2CCO[C@H]2C)C1 895308051 582526411 /nfs/dbraw/zinc/52/64/11/582526411.db2.gz GYBYUTSVJYUWIS-LPEHRKFASA-N 0 3 198.266 0.918 20 0 ACADHN COC1CC(NC[C@H]2CC(C)=NO2)C1 895302839 582526422 /nfs/dbraw/zinc/52/64/22/582526422.db2.gz BQCKCTWLOUCAMK-UDNWOFFPSA-N 0 3 198.266 0.918 20 0 ACADHN CC1=NO[C@H](CN[C@@H]2CCO[C@@H]2C)C1 895308050 582526764 /nfs/dbraw/zinc/52/67/64/582526764.db2.gz GYBYUTSVJYUWIS-KXUCPTDWSA-N 0 3 198.266 0.918 20 0 ACADHN CC1=NO[C@H](CN[C@@H]2CCOC2)C1 895307570 582526951 /nfs/dbraw/zinc/52/69/51/582526951.db2.gz BTTQAINEMLNTMC-BDAKNGLRSA-N 0 3 184.239 0.530 20 0 ACADHN Cc1cnn([C@@H]2CCN(CCO)C2)c1 335894614 582527074 /nfs/dbraw/zinc/52/70/74/582527074.db2.gz OYAJRKMAEKPHDD-SNVBAGLBSA-N 0 3 195.266 0.431 20 0 ACADHN CC(=O)OC[C@@H](C)NC/C=C\CO 895339033 582527117 /nfs/dbraw/zinc/52/71/17/582527117.db2.gz JGVJKEIMZAAGEG-TUUFMJSCSA-N 0 3 187.239 0.076 20 0 ACADHN CC(=O)OC[C@H](C)NC/C=C/CO 895339032 582527132 /nfs/dbraw/zinc/52/71/32/582527132.db2.gz JGVJKEIMZAAGEG-RTMURIBGSA-N 0 3 187.239 0.076 20 0 ACADHN CC1=NO[C@H](CN[C@H]2CCOC2)C1 895307572 582527180 /nfs/dbraw/zinc/52/71/80/582527180.db2.gz BTTQAINEMLNTMC-IUCAKERBSA-N 0 3 184.239 0.530 20 0 ACADHN CC(=O)OC[C@@H](C)NC/C=C/CO 895339031 582527182 /nfs/dbraw/zinc/52/71/82/582527182.db2.gz JGVJKEIMZAAGEG-MPJRPATESA-N 0 3 187.239 0.076 20 0 ACADHN Cc1cnn([C@H]2CCN(CCO)C2)c1 335894613 582527187 /nfs/dbraw/zinc/52/71/87/582527187.db2.gz OYAJRKMAEKPHDD-JTQLQIEISA-N 0 3 195.266 0.431 20 0 ACADHN CC(=O)OC[C@H](C)NC/C=C\CO 895339034 582527281 /nfs/dbraw/zinc/52/72/81/582527281.db2.gz JGVJKEIMZAAGEG-VEMNSZJBSA-N 0 3 187.239 0.076 20 0 ACADHN CC1(C)CNC(=O)[C@@H]1NC1CCC1 895315585 582527305 /nfs/dbraw/zinc/52/73/05/582527305.db2.gz HQIVISWKDBWDKQ-QMMMGPOBSA-N 0 3 182.267 0.653 20 0 ACADHN CC1=NO[C@@H](CN[C@@H]2CCOC2)C1 895307573 582527329 /nfs/dbraw/zinc/52/73/29/582527329.db2.gz BTTQAINEMLNTMC-RKDXNWHRSA-N 0 3 184.239 0.530 20 0 ACADHN CC1=NO[C@@H](CN[C@H]2CCOC2)C1 895307571 582527392 /nfs/dbraw/zinc/52/73/92/582527392.db2.gz BTTQAINEMLNTMC-DTWKUNHWSA-N 0 3 184.239 0.530 20 0 ACADHN CC1(C)CNC(=O)[C@H]1NC1CCC1 895315478 582527407 /nfs/dbraw/zinc/52/74/07/582527407.db2.gz HQIVISWKDBWDKQ-MRVPVSSYSA-N 0 3 182.267 0.653 20 0 ACADHN CC1=NO[C@@H](CN[C@H](C)CCO)C1 895427668 582527677 /nfs/dbraw/zinc/52/76/77/582527677.db2.gz CUOITGKVCCCVLG-VXNVDRBHSA-N 0 3 186.255 0.512 20 0 ACADHN O[C@H]1C[C@H](NCc2c[nH]cn2)C1 895351897 582527743 /nfs/dbraw/zinc/52/77/43/582527743.db2.gz YZWZIPCMBDUBNH-FKQCQYRASA-N 0 3 167.212 0.023 20 0 ACADHN O[C@H]1C[C@H](NCc2cnc[nH]2)C1 895351897 582527745 /nfs/dbraw/zinc/52/77/45/582527745.db2.gz YZWZIPCMBDUBNH-FKQCQYRASA-N 0 3 167.212 0.023 20 0 ACADHN CC1=NO[C@H](CN[C@H](C)CCO)C1 895427662 582527972 /nfs/dbraw/zinc/52/79/72/582527972.db2.gz CUOITGKVCCCVLG-APPZFPTMSA-N 0 3 186.255 0.512 20 0 ACADHN CC1=NO[C@@H](CN[C@@H](C)CCO)C1 895427667 582528016 /nfs/dbraw/zinc/52/80/16/582528016.db2.gz CUOITGKVCCCVLG-IONNQARKSA-N 0 3 186.255 0.512 20 0 ACADHN CC1=NO[C@H](CN[C@@H](C)CCO)C1 895427666 582528162 /nfs/dbraw/zinc/52/81/62/582528162.db2.gz CUOITGKVCCCVLG-CBAPKCEASA-N 0 3 186.255 0.512 20 0 ACADHN CC(=O)OC[C@@H](C)NC1CSC1 895432733 582528402 /nfs/dbraw/zinc/52/84/02/582528402.db2.gz FWEKZRCLHATUCU-ZCFIWIBFSA-N 0 3 189.280 0.643 20 0 ACADHN CC(=O)OC[C@H](C)NC1CSC1 895432732 582528487 /nfs/dbraw/zinc/52/84/87/582528487.db2.gz FWEKZRCLHATUCU-LURJTMIESA-N 0 3 189.280 0.643 20 0 ACADHN CC(C)N1CCC[C@H]1C(=O)N(C)C 143992708 582540400 /nfs/dbraw/zinc/54/04/00/582540400.db2.gz VEWOSUROPLYGKV-VIFPVBQESA-N 0 3 184.283 0.947 20 0 ACADHN C[C@H](O)CN1CCN(C)[C@H](C)C1 145512977 582542412 /nfs/dbraw/zinc/54/24/12/582542412.db2.gz YZELFDBHTIQLLM-BDAKNGLRSA-N 0 3 172.272 0.003 20 0 ACADHN CC(C)c1nc(N2CCNCC2)no1 204921065 582548224 /nfs/dbraw/zinc/54/82/24/582548224.db2.gz CKIXSYAXCGXRKU-UHFFFAOYSA-N 0 3 196.254 0.603 20 0 ACADHN C1CN(c2noc(C3CC3)n2)CCN1 204922308 582548285 /nfs/dbraw/zinc/54/82/85/582548285.db2.gz BMSMGEQTBLPQCG-UHFFFAOYSA-N 0 3 194.238 0.357 20 0 ACADHN Cc1n[nH]cc1CN1C[C@H](C)[C@H](O)C1 897685035 582548427 /nfs/dbraw/zinc/54/84/27/582548427.db2.gz ZFWPOGKHTFBKBQ-OIBJUYFYSA-N 0 3 195.266 0.531 20 0 ACADHN C[C@@H]1CN(Cc2cccn2C)C[C@@H]1O 897684026 582548457 /nfs/dbraw/zinc/54/84/57/582548457.db2.gz JIUAXIZQRTUYHY-KOLCDFICSA-N 0 3 194.278 0.838 20 0 ACADHN C[C@@H]1CN(Cc2cccn2C)C[C@H]1O 897684027 582548509 /nfs/dbraw/zinc/54/85/09/582548509.db2.gz JIUAXIZQRTUYHY-MWLCHTKSSA-N 0 3 194.278 0.838 20 0 ACADHN Cc1n[nH]cc1CN1C[C@H](C)[C@@H](O)C1 897685037 582548721 /nfs/dbraw/zinc/54/87/21/582548721.db2.gz ZFWPOGKHTFBKBQ-XVKPBYJWSA-N 0 3 195.266 0.531 20 0 ACADHN Cc1n[nH]cc1CN1C[C@@H](O)[C@H](C)C1 897685034 582548831 /nfs/dbraw/zinc/54/88/31/582548831.db2.gz ZFWPOGKHTFBKBQ-GMSGAONNSA-N 0 3 195.266 0.531 20 0 ACADHN C[C@H]1CN(Cc2cccn2C)C[C@@H]1O 897684028 582548849 /nfs/dbraw/zinc/54/88/49/582548849.db2.gz JIUAXIZQRTUYHY-ONGXEEELSA-N 0 3 194.278 0.838 20 0 ACADHN C[C@H]1CN(Cc2cccn2C)C[C@H]1O 897684025 582548874 /nfs/dbraw/zinc/54/88/74/582548874.db2.gz JIUAXIZQRTUYHY-GXSJLCMTSA-N 0 3 194.278 0.838 20 0 ACADHN C[C@H]1CN(Cc2ccn(C)c2)C[C@@H]1O 897681114 582548947 /nfs/dbraw/zinc/54/89/47/582548947.db2.gz PCGOGWDRZXDUCW-ONGXEEELSA-N 0 3 194.278 0.838 20 0 ACADHN Cc1n[nH]cc1CN1C[C@@H](C)[C@@H](O)C1 897685036 582548987 /nfs/dbraw/zinc/54/89/87/582548987.db2.gz ZFWPOGKHTFBKBQ-XCBNKYQSSA-N 0 3 195.266 0.531 20 0 ACADHN C[C@@H]1CN(Cc2ccn(C)c2)C[C@H]1O 897681113 582548998 /nfs/dbraw/zinc/54/89/98/582548998.db2.gz PCGOGWDRZXDUCW-MWLCHTKSSA-N 0 3 194.278 0.838 20 0 ACADHN C[C@@H]1CN(Cc2ccn(C)c2)C[C@@H]1O 897681112 582549055 /nfs/dbraw/zinc/54/90/55/582549055.db2.gz PCGOGWDRZXDUCW-KOLCDFICSA-N 0 3 194.278 0.838 20 0 ACADHN C[C@H]1CN(Cc2ccn(C)c2)C[C@H]1O 897681111 582549091 /nfs/dbraw/zinc/54/90/91/582549091.db2.gz PCGOGWDRZXDUCW-GXSJLCMTSA-N 0 3 194.278 0.838 20 0 ACADHN O[C@H](CCNCc1c[nH]cn1)C1CC1 898199789 582550914 /nfs/dbraw/zinc/55/09/14/582550914.db2.gz QQDGNZHUDYFMLG-SNVBAGLBSA-N 0 3 195.266 0.660 20 0 ACADHN O[C@H](CCNCc1cnc[nH]1)C1CC1 898199789 582550915 /nfs/dbraw/zinc/55/09/15/582550915.db2.gz QQDGNZHUDYFMLG-SNVBAGLBSA-N 0 3 195.266 0.660 20 0 ACADHN O[C@@H](CCNCc1c[nH]cn1)C1CC1 898199788 582551330 /nfs/dbraw/zinc/55/13/30/582551330.db2.gz QQDGNZHUDYFMLG-JTQLQIEISA-N 0 3 195.266 0.660 20 0 ACADHN O[C@@H](CCNCc1cnc[nH]1)C1CC1 898199788 582551333 /nfs/dbraw/zinc/55/13/33/582551333.db2.gz QQDGNZHUDYFMLG-JTQLQIEISA-N 0 3 195.266 0.660 20 0 ACADHN NC(=O)CN(CC1CC1)C1CCC1 379370688 582552843 /nfs/dbraw/zinc/55/28/43/582552843.db2.gz GPGOQKKCQVSUBR-UHFFFAOYSA-N 0 3 182.267 0.736 20 0 ACADHN CC(C)OCC[C@@H](O)CN1CCC1 379391527 582554058 /nfs/dbraw/zinc/55/40/58/582554058.db2.gz PUQYOBCHXUJWGP-SNVBAGLBSA-N 0 3 187.283 0.868 20 0 ACADHN CC(C)OCC[C@H](O)CN1CCC1 379391526 582554130 /nfs/dbraw/zinc/55/41/30/582554130.db2.gz PUQYOBCHXUJWGP-JTQLQIEISA-N 0 3 187.283 0.868 20 0 ACADHN CCO[C@H]1CCCN(CCO)C1 42424387 582557475 /nfs/dbraw/zinc/55/74/75/582557475.db2.gz MQHAPWAGIGZCRG-VIFPVBQESA-N 0 3 173.256 0.480 20 0 ACADHN CCO[C@@H]1CCCN(CCO)C1 42424386 582557928 /nfs/dbraw/zinc/55/79/28/582557928.db2.gz MQHAPWAGIGZCRG-SECBINFHSA-N 0 3 173.256 0.480 20 0 ACADHN NC(=O)N[C@@H]1Cc2ccccc2[C@H]1N 899245924 582559639 /nfs/dbraw/zinc/55/96/39/582559639.db2.gz WZGJNCWCPCGWPG-RKDXNWHRSA-N 0 3 191.234 0.279 20 0 ACADHN C[C@@H](N)c1cn(-c2ncccn2)nn1 899745110 582563860 /nfs/dbraw/zinc/56/38/60/582563860.db2.gz IZALMOSASLCUBK-ZCFIWIBFSA-N 0 3 190.210 0.077 20 0 ACADHN Cc1[n-]n(C2CC[NH2+]CC2)c(=O)c1F 899364238 582561487 /nfs/dbraw/zinc/56/14/87/582561487.db2.gz OJUMWJGHUBKTPJ-MRVPVSSYSA-N 0 3 199.229 0.295 20 0 ACADHN Cc1[n-]n(C2CC[NH2+]CC2)c(=O)c1F 899364239 582561525 /nfs/dbraw/zinc/56/15/25/582561525.db2.gz OJUMWJGHUBKTPJ-QMMMGPOBSA-N 0 3 199.229 0.295 20 0 ACADHN CC1(C)CCN(CCNC(N)=O)C1 899462831 582562071 /nfs/dbraw/zinc/56/20/71/582562071.db2.gz MUZZNHDDEDLYKG-UHFFFAOYSA-N 0 3 185.271 0.387 20 0 ACADHN C[C@H](N)c1cn(-c2ncccn2)nn1 899745109 582563732 /nfs/dbraw/zinc/56/37/32/582563732.db2.gz IZALMOSASLCUBK-LURJTMIESA-N 0 3 190.210 0.077 20 0 ACADHN CCC[C@@H](O)CNC(=O)C(C)(C)N 157619891 582564234 /nfs/dbraw/zinc/56/42/34/582564234.db2.gz DPZLXCKOLCJQRV-SSDOTTSWSA-N 0 3 188.271 0.001 20 0 ACADHN C/C(Cl)=C/C(=O)NCCN(C)C 899921028 582566340 /nfs/dbraw/zinc/56/63/40/582566340.db2.gz YNTWZOYLUPZKRN-SREVYHEPSA-N 0 3 190.674 0.807 20 0 ACADHN C/C(Cl)=C\C(=O)NCCN(C)C 899921029 582566716 /nfs/dbraw/zinc/56/67/16/582566716.db2.gz YNTWZOYLUPZKRN-VOTSOKGWSA-N 0 3 190.674 0.807 20 0 ACADHN CCCC(C)(C)NC(=O)CNC 158048895 582572949 /nfs/dbraw/zinc/57/29/49/582572949.db2.gz VCAJONFHIJNJRW-UHFFFAOYSA-N 0 3 172.272 0.901 20 0 ACADHN Cc1ccc(CN[C@H](C)CC(N)=O)o1 158617327 582578225 /nfs/dbraw/zinc/57/82/25/582578225.db2.gz UQNLGVOMGHISFX-SSDOTTSWSA-N 0 3 196.250 0.942 20 0 ACADHN C[C@@H]1CCCN1CN1C[C@@H]2C[C@@H]2C1=O 902167957 582593859 /nfs/dbraw/zinc/59/38/59/582593859.db2.gz ZLMZOEXEEBHGFA-UTLUCORTSA-N 0 3 194.278 0.907 20 0 ACADHN C[C@@H]1CCN(CN2C[C@@H]3C[C@@H]3C2=O)C1 902107186 582594017 /nfs/dbraw/zinc/59/40/17/582594017.db2.gz BQTRFJDDXOTNKK-UTLUCORTSA-N 0 3 194.278 0.764 20 0 ACADHN C[C@H]1CCCN1CN1C[C@@H]2C[C@@H]2C1=O 902167956 582594167 /nfs/dbraw/zinc/59/41/67/582594167.db2.gz ZLMZOEXEEBHGFA-GUBZILKMSA-N 0 3 194.278 0.907 20 0 ACADHN C[C@@H]1CN(CN2CCOC2=O)C[C@@H]1C 902167811 582594173 /nfs/dbraw/zinc/59/41/73/582594173.db2.gz YFIWREJGNXMXPF-DTORHVGOSA-N 0 3 198.266 0.984 20 0 ACADHN C[C@@H]1CN(CN2CCOC2=O)C[C@H]1C 902167813 582594420 /nfs/dbraw/zinc/59/44/20/582594420.db2.gz YFIWREJGNXMXPF-RKDXNWHRSA-N 0 3 198.266 0.984 20 0 ACADHN C[C@H]1CCN(CN2C[C@@H]3C[C@@H]3C2=O)C1 902107185 582594444 /nfs/dbraw/zinc/59/44/44/582594444.db2.gz BQTRFJDDXOTNKK-GUBZILKMSA-N 0 3 194.278 0.764 20 0 ACADHN C[C@H]1CN(CN2CCOC2=O)C[C@@H]1C 902167812 582594467 /nfs/dbraw/zinc/59/44/67/582594467.db2.gz YFIWREJGNXMXPF-IUCAKERBSA-N 0 3 198.266 0.984 20 0 ACADHN Cc1n[nH]cc1[C@@H](C)NCCCON 902417210 582603465 /nfs/dbraw/zinc/60/34/65/582603465.db2.gz HCFRMBUYELFFGM-SSDOTTSWSA-N 0 3 198.270 0.649 20 0 ACADHN Cc1n[nH]cc1[C@H](C)NCCCON 902417211 582603788 /nfs/dbraw/zinc/60/37/88/582603788.db2.gz HCFRMBUYELFFGM-ZETCQYMHSA-N 0 3 198.270 0.649 20 0 ACADHN C[C@H](NCCCON)c1cnn(C)c1 902419749 582604288 /nfs/dbraw/zinc/60/42/88/582604288.db2.gz STZWYZUOYDZWEV-QMMMGPOBSA-N 0 3 198.270 0.351 20 0 ACADHN C[C@H](NCCCON)c1nccn1C 902420500 582604326 /nfs/dbraw/zinc/60/43/26/582604326.db2.gz XNZYNHSIJADULR-QMMMGPOBSA-N 0 3 198.270 0.351 20 0 ACADHN C[C@@H](NCCCON)c1cnn(C)c1 902419746 582604343 /nfs/dbraw/zinc/60/43/43/582604343.db2.gz STZWYZUOYDZWEV-MRVPVSSYSA-N 0 3 198.270 0.351 20 0 ACADHN C[C@@H](NCCCON)c1ccnn1C 902422987 582604550 /nfs/dbraw/zinc/60/45/50/582604550.db2.gz IBSHNCIDMIHUCV-MRVPVSSYSA-N 0 3 198.270 0.351 20 0 ACADHN C[C@H](NCCCON)c1ccnn1C 902422988 582604575 /nfs/dbraw/zinc/60/45/75/582604575.db2.gz IBSHNCIDMIHUCV-QMMMGPOBSA-N 0 3 198.270 0.351 20 0 ACADHN C[C@@H](NCCCON)c1nccn1C 902420499 582604728 /nfs/dbraw/zinc/60/47/28/582604728.db2.gz XNZYNHSIJADULR-MRVPVSSYSA-N 0 3 198.270 0.351 20 0 ACADHN C[C@H](NCCCON)c1ncc[nH]1 902414477 582605205 /nfs/dbraw/zinc/60/52/05/582605205.db2.gz BGYINZOOAZYSMH-ZETCQYMHSA-N 0 3 184.243 0.341 20 0 ACADHN C[C@H](NCCCON)c1ccn(C)n1 902414846 582605557 /nfs/dbraw/zinc/60/55/57/582605557.db2.gz DPBNRAAQMIXZKJ-QMMMGPOBSA-N 0 3 198.270 0.351 20 0 ACADHN C[C@@H](NCCCON)c1ccn(C)n1 902414845 582605603 /nfs/dbraw/zinc/60/56/03/582605603.db2.gz DPBNRAAQMIXZKJ-MRVPVSSYSA-N 0 3 198.270 0.351 20 0 ACADHN C[C@@H](NCCCON)c1ncc[nH]1 902414476 582605606 /nfs/dbraw/zinc/60/56/06/582605606.db2.gz BGYINZOOAZYSMH-SSDOTTSWSA-N 0 3 184.243 0.341 20 0 ACADHN Cl/C=C/CN[C@H]1CNCCOC1 902521406 582609148 /nfs/dbraw/zinc/60/91/48/582609148.db2.gz SJUXRBNDNYEGQT-CMLYIYFCSA-N 0 3 190.674 0.317 20 0 ACADHN Cl/C=C/CN[C@@H]1CNCCOC1 902521407 582609212 /nfs/dbraw/zinc/60/92/12/582609212.db2.gz SJUXRBNDNYEGQT-FHKCNRDCSA-N 0 3 190.674 0.317 20 0 ACADHN Cl/C=C\CN[C@H]1CNCCOC1 902521408 582609359 /nfs/dbraw/zinc/60/93/59/582609359.db2.gz SJUXRBNDNYEGQT-JQSQLHRZSA-N 0 3 190.674 0.317 20 0 ACADHN Cl/C=C\CN[C@@H]1CNCCOC1 902521409 582609459 /nfs/dbraw/zinc/60/94/59/582609459.db2.gz SJUXRBNDNYEGQT-SLYZXXNYSA-N 0 3 190.674 0.317 20 0 ACADHN O=C1CCN1CN1C[C@H]2CCC[C@H]2C1 902654710 582611211 /nfs/dbraw/zinc/61/12/11/582611211.db2.gz VNVUYYAONMNNGL-AOOOYVTPSA-N 0 3 194.278 0.908 20 0 ACADHN c1nncn1CN1C[C@H]2CCC[C@H]2C1 902654288 582611417 /nfs/dbraw/zinc/61/14/17/582611417.db2.gz KGNLOYALPPSJSS-AOOOYVTPSA-N 0 3 192.266 0.968 20 0 ACADHN N=C(CO)NOCc1ccns1 902763885 582612520 /nfs/dbraw/zinc/61/25/20/582612520.db2.gz LZKDJBGRHKPFFC-UHFFFAOYSA-N 0 3 187.224 0.134 20 0 ACADHN C[C@@H](NC[C@@H]1CCN1C)c1ncc[nH]1 903317387 582623377 /nfs/dbraw/zinc/62/33/77/582623377.db2.gz KFXSMTOWNITPEO-BDAKNGLRSA-N 0 3 194.282 0.764 20 0 ACADHN C[C@H](NC[C@H]1CCN1C)c1ncc[nH]1 903317391 582623557 /nfs/dbraw/zinc/62/35/57/582623557.db2.gz KFXSMTOWNITPEO-DTWKUNHWSA-N 0 3 194.282 0.764 20 0 ACADHN C[C@@H](NC[C@H]1CCN1C)c1ncc[nH]1 903317394 582623708 /nfs/dbraw/zinc/62/37/08/582623708.db2.gz KFXSMTOWNITPEO-RKDXNWHRSA-N 0 3 194.282 0.764 20 0 ACADHN C[C@H](NC[C@@H]1CCN1C)c1ncc[nH]1 903317392 582623744 /nfs/dbraw/zinc/62/37/44/582623744.db2.gz KFXSMTOWNITPEO-IUCAKERBSA-N 0 3 194.282 0.764 20 0 ACADHN CO[C@@H](CN)c1nc([C@H]2C[C@H]2C)no1 904097116 582632027 /nfs/dbraw/zinc/63/20/27/582632027.db2.gz NYXYLFZAWNVQGV-VQVTYTSYSA-N 0 3 197.238 0.839 20 0 ACADHN CO[C@@H](CN)c1nc([C@@H]2C[C@H]2C)no1 904097115 582632145 /nfs/dbraw/zinc/63/21/45/582632145.db2.gz NYXYLFZAWNVQGV-QYNIQEEDSA-N 0 3 197.238 0.839 20 0 ACADHN CCn1cc(CNCCCON)cn1 904455752 582638865 /nfs/dbraw/zinc/63/88/65/582638865.db2.gz AUVCRUMGYYPKBN-UHFFFAOYSA-N 0 3 198.270 0.273 20 0 ACADHN Cc1nn(C)cc1CNCCCON 904457841 582638951 /nfs/dbraw/zinc/63/89/51/582638951.db2.gz UABWMYYLSQEXCW-UHFFFAOYSA-N 0 3 198.270 0.099 20 0 ACADHN NOCCCNCc1cccnc1 904456644 582638958 /nfs/dbraw/zinc/63/89/58/582638958.db2.gz JZHLQDDBXKJJJV-UHFFFAOYSA-N 0 3 181.239 0.452 20 0 ACADHN Cc1c[nH]nc1CNCCCON 904457889 582639055 /nfs/dbraw/zinc/63/90/55/582639055.db2.gz TYHDNIZPSUYSAL-UHFFFAOYSA-N 0 3 184.243 0.088 20 0 ACADHN NOCCCNCc1cncs1 904458198 582639275 /nfs/dbraw/zinc/63/92/75/582639275.db2.gz VHANRDIHEOBFBX-UHFFFAOYSA-N 0 3 187.268 0.513 20 0 ACADHN Cc1noc(C)c1CNCCCON 904458434 582639343 /nfs/dbraw/zinc/63/93/43/582639343.db2.gz YUFHYGVOSAZORP-UHFFFAOYSA-N 0 3 199.254 0.661 20 0 ACADHN Cc1ccc(CNCCCON)nc1 904456801 582639357 /nfs/dbraw/zinc/63/93/57/582639357.db2.gz MKUZSQLRPUAYLU-UHFFFAOYSA-N 0 3 195.266 0.760 20 0 ACADHN Cc1n[nH]cc1CNCCCON 904456025 582639403 /nfs/dbraw/zinc/63/94/03/582639403.db2.gz FGSZLFDMMWLQHF-UHFFFAOYSA-N 0 3 184.243 0.088 20 0 ACADHN Cc1cc(CNCCCON)nn1C 904457455 582639448 /nfs/dbraw/zinc/63/94/48/582639448.db2.gz PPMQPPDRGGHRPE-UHFFFAOYSA-N 0 3 198.270 0.099 20 0 ACADHN CCn1nccc1CNCCCON 904458618 582639473 /nfs/dbraw/zinc/63/94/73/582639473.db2.gz YWMOXVNCBUSINN-UHFFFAOYSA-N 0 3 198.270 0.273 20 0 ACADHN NOCCCNCc1ccccn1 904458009 582639500 /nfs/dbraw/zinc/63/95/00/582639500.db2.gz XNERZYQEKPXZTP-UHFFFAOYSA-N 0 3 181.239 0.452 20 0 ACADHN CCn1ccnc1CNCCCON 904458633 582639559 /nfs/dbraw/zinc/63/95/59/582639559.db2.gz ZORSPPCGEFGVNH-UHFFFAOYSA-N 0 3 198.270 0.273 20 0 ACADHN C[C@](O)(CN[C@H]1C[C@H](O)C1)C(F)F 905380372 582648200 /nfs/dbraw/zinc/64/82/00/582648200.db2.gz FTVOOWXCSNEDOQ-HAFWLYHUSA-N 0 3 195.209 0.115 20 0 ACADHN C[C@@](O)(CN[C@H]1C[C@H](O)C1)C(F)F 905380371 582648247 /nfs/dbraw/zinc/64/82/47/582648247.db2.gz FTVOOWXCSNEDOQ-ATRFCDNQSA-N 0 3 195.209 0.115 20 0 ACADHN C[C@@](O)(CN[C@H]1C[C@@H](O)C1)C(F)F 905358851 582648282 /nfs/dbraw/zinc/64/82/82/582648282.db2.gz FTVOOWXCSNEDOQ-GKROBHDKSA-N 0 3 195.209 0.115 20 0 ACADHN C[C@](O)(CN[C@H]1C[C@@H](O)C1)C(F)F 905358846 582648345 /nfs/dbraw/zinc/64/83/45/582648345.db2.gz FTVOOWXCSNEDOQ-BBVRLYRLSA-N 0 3 195.209 0.115 20 0 ACADHN CON(C)C(=O)CCN1CC[C@@H]1C 905973383 582653255 /nfs/dbraw/zinc/65/32/55/582653255.db2.gz HXQRXKZGXSEJPL-QMMMGPOBSA-N 0 3 186.255 0.491 20 0 ACADHN CCOCC[C@@H](O)CN1CC[C@H]1C 905974969 582653372 /nfs/dbraw/zinc/65/33/72/582653372.db2.gz NNODBYVZWNCMPL-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H](O)CN1CC(COC)C1 905973848 582653466 /nfs/dbraw/zinc/65/34/66/582653466.db2.gz YWABYLYGEULYAW-SECBINFHSA-N 0 3 173.256 0.336 20 0 ACADHN CCOCC[C@H](O)CN1CC[C@H]1C 905974974 582653501 /nfs/dbraw/zinc/65/35/01/582653501.db2.gz NNODBYVZWNCMPL-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H](O)CN1CC(COC)C1 905973850 582653530 /nfs/dbraw/zinc/65/35/30/582653530.db2.gz YWABYLYGEULYAW-VIFPVBQESA-N 0 3 173.256 0.336 20 0 ACADHN CCOCC[C@H](O)CN1CC[C@@H]1C 905974971 582653638 /nfs/dbraw/zinc/65/36/38/582653638.db2.gz NNODBYVZWNCMPL-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN CON(C)C(=O)CCN1CC[C@H]1C 905973382 582653644 /nfs/dbraw/zinc/65/36/44/582653644.db2.gz HXQRXKZGXSEJPL-MRVPVSSYSA-N 0 3 186.255 0.491 20 0 ACADHN COCC1CN(CC2(O)CCC2)C1 905973240 582653651 /nfs/dbraw/zinc/65/36/51/582653651.db2.gz VPXVCUFNRBOYHY-UHFFFAOYSA-N 0 3 185.267 0.480 20 0 ACADHN CCOCC[C@@H](O)CN1CC[C@@H]1C 905974972 582653709 /nfs/dbraw/zinc/65/37/09/582653709.db2.gz NNODBYVZWNCMPL-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN COCC1CN(CC(C)(C)O)C1 905973222 582653659 /nfs/dbraw/zinc/65/36/59/582653659.db2.gz VDOCAEWAEGAIPI-UHFFFAOYSA-N 0 3 173.256 0.336 20 0 ACADHN NCC(=O)NCc1cc(Cl)ccn1 906091747 582654213 /nfs/dbraw/zinc/65/42/13/582654213.db2.gz ROTXYGIYALDQOX-UHFFFAOYSA-N 0 3 199.641 0.310 20 0 ACADHN CCCCN1CC(N2CC[C@@H](O)C2)C1 906534497 582657333 /nfs/dbraw/zinc/65/73/33/582657333.db2.gz SCRZGUAHUYPUJF-LLVKDONJSA-N 0 3 198.310 0.537 20 0 ACADHN CCCCN[C@H](C)C(=O)N(C)OC 906534832 582657879 /nfs/dbraw/zinc/65/78/79/582657879.db2.gz UYFVZMXMNVGKFS-MRVPVSSYSA-N 0 3 188.271 0.784 20 0 ACADHN CCCCN[C@@H](C)C(=O)N(C)OC 906534835 582657968 /nfs/dbraw/zinc/65/79/68/582657968.db2.gz UYFVZMXMNVGKFS-QMMMGPOBSA-N 0 3 188.271 0.784 20 0 ACADHN CC(C)[C@H](N)C(=O)NC/C=C\Cl 906640318 582658199 /nfs/dbraw/zinc/65/81/99/582658199.db2.gz RDPCRFWXVGUVNF-AVALRIAPSA-N 0 3 190.674 0.838 20 0 ACADHN CC(C)(N)C(=O)NC/C=C\Cl 906638521 582658229 /nfs/dbraw/zinc/65/82/29/582658229.db2.gz BPAAPCXDBYYODI-ARJAWSKDSA-N 0 3 176.647 0.592 20 0 ACADHN CC(C)(N)C(=O)NC/C=C/Cl 906638522 582658246 /nfs/dbraw/zinc/65/82/46/582658246.db2.gz BPAAPCXDBYYODI-ONEGZZNKSA-N 0 3 176.647 0.592 20 0 ACADHN CC(C)[C@H](N)C(=O)NC/C=C/Cl 906640319 582658343 /nfs/dbraw/zinc/65/83/43/582658343.db2.gz RDPCRFWXVGUVNF-SDLBARTOSA-N 0 3 190.674 0.838 20 0 ACADHN CN(C)CCNC(=O)c1ccoc1 169918380 582661659 /nfs/dbraw/zinc/66/16/59/582661659.db2.gz WZFAVWROTVNEOF-UHFFFAOYSA-N 0 3 182.223 0.571 20 0 ACADHN Cc1cnc(C(=O)NCCN(C)C)o1 169999512 582661943 /nfs/dbraw/zinc/66/19/43/582661943.db2.gz PIERUGKHLMLLDO-UHFFFAOYSA-N 0 3 197.238 0.274 20 0 ACADHN CCC[C@H](O)CNC(=O)C(C)(C)N 157619744 582662383 /nfs/dbraw/zinc/66/23/83/582662383.db2.gz DPZLXCKOLCJQRV-ZETCQYMHSA-N 0 3 188.271 0.001 20 0 ACADHN COC(=O)NC[C@@H]1C[C@H](F)CN1 876500402 582662547 /nfs/dbraw/zinc/66/25/47/582662547.db2.gz ALAVJRUZZMCFNF-WDSKDSINSA-N 0 3 176.191 0.042 20 0 ACADHN CCC[C@H](O)CNC(=O)[C@H](N)CC 157623023 582662600 /nfs/dbraw/zinc/66/26/00/582662600.db2.gz HNDHBGOBUQCZNY-JGVFFNPUSA-N 0 3 188.271 0.001 20 0 ACADHN CC[C@@H](N)C(=O)N1C[C@@H](C)C[C@H]1C 157784655 582662617 /nfs/dbraw/zinc/66/26/17/582662617.db2.gz YBDHFQXSFDBCBL-DJLDLDEBSA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@@H](N)C(=O)N1C[C@H](C)C[C@H]1C 157784508 582662628 /nfs/dbraw/zinc/66/26/28/582662628.db2.gz YBDHFQXSFDBCBL-IWSPIJDZSA-N 0 3 184.283 0.981 20 0 ACADHN CNCC(=O)NCCCC1CC1 158449083 582663683 /nfs/dbraw/zinc/66/36/83/582663683.db2.gz JCUIYTMPRXRFLJ-UHFFFAOYSA-N 0 3 170.256 0.512 20 0 ACADHN CC[C@@H]1CCN(C(=O)CNC2CC2)C1 158731184 582663769 /nfs/dbraw/zinc/66/37/69/582663769.db2.gz GUVLYYITJGJHCX-SECBINFHSA-N 0 3 196.294 0.997 20 0 ACADHN CC[C@H]1CCN(C(=O)CNC2CC2)C1 158731318 582663797 /nfs/dbraw/zinc/66/37/97/582663797.db2.gz GUVLYYITJGJHCX-VIFPVBQESA-N 0 3 196.294 0.997 20 0 ACADHN NC1(C(=O)NCCCC2CC2)CC1 158445324 582663865 /nfs/dbraw/zinc/66/38/65/582663865.db2.gz RYEJBNDVHKLXGO-UHFFFAOYSA-N 0 3 182.267 0.784 20 0 ACADHN CCN1CC[C@H](NC(C)=O)C1 200721404 582665720 /nfs/dbraw/zinc/66/57/20/582665720.db2.gz QRUQNGVSCYNOAY-QMMMGPOBSA-N 0 3 156.229 0.217 20 0 ACADHN COC(=O)N[C@@H]1CCN(CC2CC2)C1 731019916 582672846 /nfs/dbraw/zinc/67/28/46/582672846.db2.gz MFHHRWWWFOQFSO-SECBINFHSA-N 0 3 198.266 0.827 20 0 ACADHN CN(CCN1CCOC1=O)C1CC1 731104238 582673122 /nfs/dbraw/zinc/67/31/22/582673122.db2.gz WVNBGAXBNUJNIV-UHFFFAOYSA-N 0 3 184.239 0.533 20 0 ACADHN CCN(CCN1CCOC1=O)C1CC1 731104113 582673132 /nfs/dbraw/zinc/67/31/32/582673132.db2.gz BUFXBOQVLBSAAW-UHFFFAOYSA-N 0 3 198.266 0.923 20 0 ACADHN COC(=O)N[C@H]1CCN(CC2CC2)C1 731019917 582673209 /nfs/dbraw/zinc/67/32/09/582673209.db2.gz MFHHRWWWFOQFSO-VIFPVBQESA-N 0 3 198.266 0.827 20 0 ACADHN COC(=O)N1CC[C@@H](F)[C@H](N)C1 214911305 582674247 /nfs/dbraw/zinc/67/42/47/582674247.db2.gz GXBIJEPNGXELAR-PHDIDXHHSA-N 0 3 176.191 0.124 20 0 ACADHN C[C@H](NC1(C(N)=O)CC1)C1CC1 393371407 582674918 /nfs/dbraw/zinc/67/49/18/582674918.db2.gz NEXKBKNBIWAXJC-LURJTMIESA-N 0 3 168.240 0.392 20 0 ACADHN C[C@@H](CC1CC1)NC1(C(N)=O)CC1 393718569 582675983 /nfs/dbraw/zinc/67/59/83/582675983.db2.gz XVABARSDBGJHQV-ZETCQYMHSA-N 0 3 182.267 0.783 20 0 ACADHN COC[C@H]1CCN(Cc2c[nH]nn2)C1 734783819 582682401 /nfs/dbraw/zinc/68/24/01/582682401.db2.gz UKZIMXITYCJSSR-QMMMGPOBSA-N 0 3 196.254 0.273 20 0 ACADHN COC[C@@H]1CCN(Cc2c[nH]nn2)C1 734783818 582682571 /nfs/dbraw/zinc/68/25/71/582682571.db2.gz UKZIMXITYCJSSR-MRVPVSSYSA-N 0 3 196.254 0.273 20 0 ACADHN CCC(=O)NC[C@@H]1C[C@H](F)CN1 306929061 582691506 /nfs/dbraw/zinc/69/15/06/582691506.db2.gz ATLISZFEZBDHEJ-BQBZGAKWSA-N 0 3 174.219 0.213 20 0 ACADHN COc1ccc(CN[C@@H](C)CO)cn1 158046014 582696183 /nfs/dbraw/zinc/69/61/83/582696183.db2.gz PAGUUQYGOBQOIS-QMMMGPOBSA-N 0 3 196.250 0.561 20 0 ACADHN COc1ccc(CN[C@H](C)CO)cn1 158046150 582696218 /nfs/dbraw/zinc/69/62/18/582696218.db2.gz PAGUUQYGOBQOIS-MRVPVSSYSA-N 0 3 196.250 0.561 20 0 ACADHN COc1ccsc1CNCCO 158251143 582696286 /nfs/dbraw/zinc/69/62/86/582696286.db2.gz KPUDXZMNLKEGHO-UHFFFAOYSA-N 0 3 187.264 0.839 20 0 ACADHN Cc1ccc(CN[C@@H](C)CC(N)=O)o1 158617190 582696810 /nfs/dbraw/zinc/69/68/10/582696810.db2.gz UQNLGVOMGHISFX-ZETCQYMHSA-N 0 3 196.250 0.942 20 0 ACADHN C[C@H](CNc1ncc(F)cn1)N(C)C 158600333 582697360 /nfs/dbraw/zinc/69/73/60/582697360.db2.gz OWYNXSVMBVWNDL-SSDOTTSWSA-N 0 3 198.245 0.978 20 0 ACADHN CCN(CCNC(=O)N(C)C)C1CC1 227552442 582698424 /nfs/dbraw/zinc/69/84/24/582698424.db2.gz LQEOWCLOERDHKA-UHFFFAOYSA-N 0 3 199.298 0.742 20 0 ACADHN CC[C@H](C)NC(=O)CNC1CC1 19404214 582702987 /nfs/dbraw/zinc/70/29/87/582702987.db2.gz TZHFABKFXLHHOL-ZETCQYMHSA-N 0 3 170.256 0.653 20 0 ACADHN CNCC(=O)Nc1ccnn1C(C)C 19512462 582702991 /nfs/dbraw/zinc/70/29/91/582702991.db2.gz XYCCJUVOWXKIIO-UHFFFAOYSA-N 0 3 196.254 0.622 20 0 ACADHN CC[C@@H](C)NC(=O)CNC(C)C 19397804 582703001 /nfs/dbraw/zinc/70/30/01/582703001.db2.gz DSDTVHHMRPYZEZ-MRVPVSSYSA-N 0 3 172.272 0.899 20 0 ACADHN CC(C)NCC(=O)N(C)C(C)C 19817278 582703037 /nfs/dbraw/zinc/70/30/37/582703037.db2.gz AWNCDXCGKYGDMN-UHFFFAOYSA-N 0 3 172.272 0.851 20 0 ACADHN CC[C@H](C)NC(=O)CNC(C)C 19397807 582703286 /nfs/dbraw/zinc/70/32/86/582703286.db2.gz DSDTVHHMRPYZEZ-QMMMGPOBSA-N 0 3 172.272 0.899 20 0 ACADHN CC[C@@H](C)NC(=O)CNC1CC1 19404209 582703093 /nfs/dbraw/zinc/70/30/93/582703093.db2.gz TZHFABKFXLHHOL-SSDOTTSWSA-N 0 3 170.256 0.653 20 0 ACADHN CNCC(=O)N(C)C(C)C 19802627 582703169 /nfs/dbraw/zinc/70/31/69/582703169.db2.gz UMLRHQDCRGSKDB-UHFFFAOYSA-N 0 3 144.218 0.073 20 0 ACADHN CCCCN(CC)C(=O)CNC 19433903 582703331 /nfs/dbraw/zinc/70/33/31/582703331.db2.gz RHZKLQKKNJTPQG-UHFFFAOYSA-N 0 3 172.272 0.854 20 0 ACADHN CC(C)[C@H](CCO)NCc1c[nH]cn1 164862298 582704789 /nfs/dbraw/zinc/70/47/89/582704789.db2.gz IPMWVXRMYMIUMD-JTQLQIEISA-N 0 3 197.282 0.906 20 0 ACADHN CC(C)[C@@H](CCO)NCc1c[nH]cn1 164862177 582705072 /nfs/dbraw/zinc/70/50/72/582705072.db2.gz IPMWVXRMYMIUMD-SNVBAGLBSA-N 0 3 197.282 0.906 20 0 ACADHN CC[C@]1(CN)CCCS1(=O)=O 214169488 582705814 /nfs/dbraw/zinc/70/58/14/582705814.db2.gz YRJLPSBZEDEHLG-SSDOTTSWSA-N 0 3 177.269 0.303 20 0 ACADHN COC[C@@H](C)N[C@H](CCO)COC 168062763 582706314 /nfs/dbraw/zinc/70/63/14/582706314.db2.gz BSDDTUZZOHLCRV-RKDXNWHRSA-N 0 3 191.271 0.008 20 0 ACADHN CC[C@@H](C(=O)N(C)CC)N(C)C 201598850 582706970 /nfs/dbraw/zinc/70/69/70/582706970.db2.gz BIELQIAXNBOKLW-QMMMGPOBSA-N 0 3 172.272 0.805 20 0 ACADHN Cc1ccnc(N(C)CCN(C)C)n1 202078867 582707429 /nfs/dbraw/zinc/70/74/29/582707429.db2.gz XLBIQDRDBXWHKX-UHFFFAOYSA-N 0 3 194.282 0.783 20 0 ACADHN CCN(C)CCF 200656021 582707781 /nfs/dbraw/zinc/70/77/81/582707781.db2.gz ZSQYAHBFDXODJE-UHFFFAOYSA-N 0 3 105.156 0.908 20 0 ACADHN Cc1cccc([C@@H](O)CNCCO)c1 204281614 582708117 /nfs/dbraw/zinc/70/81/17/582708117.db2.gz ZUWFOVXMWKIUCD-NSHDSACASA-N 0 3 195.262 0.610 20 0 ACADHN Cc1cccc([C@H](O)CNCCO)c1 204281591 582708708 /nfs/dbraw/zinc/70/87/08/582708708.db2.gz ZUWFOVXMWKIUCD-LLVKDONJSA-N 0 3 195.262 0.610 20 0 ACADHN CC(C)OC1CCN(CCO)CC1 205765273 582709558 /nfs/dbraw/zinc/70/95/58/582709558.db2.gz OSFOVNYFLXUADM-UHFFFAOYSA-N 0 3 187.283 0.868 20 0 ACADHN COC(=O)c1c[nH]c([C@H](C)N)n1 206105258 582710359 /nfs/dbraw/zinc/71/03/59/582710359.db2.gz NYZJDNAWXKOWDN-BYPYZUCNSA-N 0 3 169.184 0.216 20 0 ACADHN Cc1cccc(CNC[C@H](O)CO)c1 37859833 582710766 /nfs/dbraw/zinc/71/07/66/582710766.db2.gz XSPFATPATOXLGF-NSHDSACASA-N 0 3 195.262 0.438 20 0 ACADHN CCCCN(C(=O)CNC)C1CC1 37810325 582710948 /nfs/dbraw/zinc/71/09/48/582710948.db2.gz ZEGMGUBPQMQAAF-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CCOC[C@H](O)CN1CCC1 378974873 582711838 /nfs/dbraw/zinc/71/18/38/582711838.db2.gz MYWWWMMESRPMEJ-MRVPVSSYSA-N 0 3 159.229 0.090 20 0 ACADHN C[C@@H](O)CN1CCN(CC2CC2)CC1 42490919 582711777 /nfs/dbraw/zinc/71/17/77/582711777.db2.gz PJEIGZHLGQNFTD-SNVBAGLBSA-N 0 3 198.310 0.395 20 0 ACADHN C[C@H](O)CN1CCN(CC2CC2)CC1 42490918 582712015 /nfs/dbraw/zinc/71/20/15/582712015.db2.gz PJEIGZHLGQNFTD-JTQLQIEISA-N 0 3 198.310 0.395 20 0 ACADHN COCCN(C[C@H](C)O)C1CC1 42519145 582712494 /nfs/dbraw/zinc/71/24/94/582712494.db2.gz MOHTVIKCKRZWQA-QMMMGPOBSA-N 0 3 173.256 0.478 20 0 ACADHN CCOC[C@@H](O)CN1CCC1 378974874 582712820 /nfs/dbraw/zinc/71/28/20/582712820.db2.gz MYWWWMMESRPMEJ-QMMMGPOBSA-N 0 3 159.229 0.090 20 0 ACADHN C[C@@H]1CCCN1CCNC(=O)C1CC1 742239824 582733899 /nfs/dbraw/zinc/73/38/99/582733899.db2.gz HWPIWICWXWFFJT-SECBINFHSA-N 0 3 196.294 0.997 20 0 ACADHN C[C@H]1CCCN1CCNC(=O)C1CC1 742239825 582734390 /nfs/dbraw/zinc/73/43/90/582734390.db2.gz HWPIWICWXWFFJT-VIFPVBQESA-N 0 3 196.294 0.997 20 0 ACADHN O=C(CN1C[C@H]2C[C@H]2C1)N1CCC1 886330184 582735545 /nfs/dbraw/zinc/73/55/45/582735545.db2.gz OWCQGVPQEWLWIT-DTORHVGOSA-N 0 3 180.251 0.170 20 0 ACADHN C[C@](O)(CN1C[C@H]2C[C@H]2C1)C(F)F 886349022 582736945 /nfs/dbraw/zinc/73/69/45/582736945.db2.gz XJSFXUYQDPOXHE-OOZYFLPDSA-N 0 3 191.221 0.954 20 0 ACADHN C[C@@](O)(CN1C[C@H]2C[C@H]2C1)C(F)F 886349021 582737056 /nfs/dbraw/zinc/73/70/56/582737056.db2.gz XJSFXUYQDPOXHE-BKPPORCPSA-N 0 3 191.221 0.954 20 0 ACADHN CN(CCN1CCOC1=O)C1CCC1 743852879 582737654 /nfs/dbraw/zinc/73/76/54/582737654.db2.gz KFEIESVCJBLQJX-UHFFFAOYSA-N 0 3 198.266 0.923 20 0 ACADHN C[C@@H](NCCN(C)C)c1ncco1 886530368 582738947 /nfs/dbraw/zinc/73/89/47/582738947.db2.gz ITWRDRNIYUNNBE-MRVPVSSYSA-N 0 3 183.255 0.887 20 0 ACADHN C[C@H](NCCN(C)C)c1ncco1 886530369 582739404 /nfs/dbraw/zinc/73/94/04/582739404.db2.gz ITWRDRNIYUNNBE-QMMMGPOBSA-N 0 3 183.255 0.887 20 0 ACADHN CNC(=O)CN1CCC2(CCCC2)C1 743863616 582739677 /nfs/dbraw/zinc/73/96/77/582739677.db2.gz KQRIKAKUDGEDEH-UHFFFAOYSA-N 0 3 196.294 0.999 20 0 ACADHN CC1(C)CCN1CCC(=O)NC(N)=O 746461632 582747619 /nfs/dbraw/zinc/74/76/19/582747619.db2.gz AUWLOTMQVQEWGP-UHFFFAOYSA-N 0 3 199.254 0.056 20 0 ACADHN CCCN(C)C(=O)N[C@@H]1CCN(C)C1 746950878 582748288 /nfs/dbraw/zinc/74/82/88/582748288.db2.gz RGVHMGCRRAMANC-SECBINFHSA-N 0 3 199.298 0.742 20 0 ACADHN CCCN(C)C(=O)N[C@H]1CCN(C)C1 746950879 582748592 /nfs/dbraw/zinc/74/85/92/582748592.db2.gz RGVHMGCRRAMANC-VIFPVBQESA-N 0 3 199.298 0.742 20 0 ACADHN CN(C)CCNC(=O)C1=CCCCO1 751527631 582764145 /nfs/dbraw/zinc/76/41/45/582764145.db2.gz WUOCQZKFIIDUEC-UHFFFAOYSA-N 0 3 198.266 0.359 20 0 ACADHN C[C@@H]1CCCN1CCN1CCOC1=O 752075636 582767927 /nfs/dbraw/zinc/76/79/27/582767927.db2.gz MIXSBVBTMPDORP-SECBINFHSA-N 0 3 198.266 0.923 20 0 ACADHN C[C@H]1CCCN1CCN1CCOC1=O 752075638 582767946 /nfs/dbraw/zinc/76/79/46/582767946.db2.gz MIXSBVBTMPDORP-VIFPVBQESA-N 0 3 198.266 0.923 20 0 ACADHN COC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 753707902 582774751 /nfs/dbraw/zinc/77/47/51/582774751.db2.gz QVQMGNWWUPIZBR-YUMQZZPRSA-N 0 3 198.266 0.968 20 0 ACADHN COC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 753707900 582774763 /nfs/dbraw/zinc/77/47/63/582774763.db2.gz QVQMGNWWUPIZBR-SFYZADRCSA-N 0 3 198.266 0.968 20 0 ACADHN COC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 753707899 582775215 /nfs/dbraw/zinc/77/52/15/582775215.db2.gz QVQMGNWWUPIZBR-JGVFFNPUSA-N 0 3 198.266 0.968 20 0 ACADHN COC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 753707897 582775473 /nfs/dbraw/zinc/77/54/73/582775473.db2.gz QVQMGNWWUPIZBR-HTQZYQBOSA-N 0 3 198.266 0.968 20 0 ACADHN CONC(=O)N[C@H]1CCN(C2CC2)C1 753825219 582775921 /nfs/dbraw/zinc/77/59/21/582775921.db2.gz NMYXYHJYDRBWMN-ZETCQYMHSA-N 0 3 199.254 0.084 20 0 ACADHN CONC(=O)N[C@@H]1CCN(C2CC2)C1 753825218 582776351 /nfs/dbraw/zinc/77/63/51/582776351.db2.gz NMYXYHJYDRBWMN-SSDOTTSWSA-N 0 3 199.254 0.084 20 0 ACADHN CN(C)CCN(C)C(=O)C1=COCC1 754353498 582780484 /nfs/dbraw/zinc/78/04/84/582780484.db2.gz IIBFTZMXOPXTSX-UHFFFAOYSA-N 0 3 198.266 0.311 20 0 ACADHN CCOCCN1CCOC[C@H](C)C1 754386367 582781508 /nfs/dbraw/zinc/78/15/08/582781508.db2.gz WSYRWLZIGZYQGS-SNVBAGLBSA-N 0 3 187.283 0.991 20 0 ACADHN CCOCCN1CCOC[C@@H](C)C1 754386366 582781684 /nfs/dbraw/zinc/78/16/84/582781684.db2.gz WSYRWLZIGZYQGS-JTQLQIEISA-N 0 3 187.283 0.991 20 0 ACADHN COC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C 758333700 582798961 /nfs/dbraw/zinc/79/89/61/582798961.db2.gz JFMVXVMMDHFAAT-IONNQARKSA-N 0 3 198.266 0.825 20 0 ACADHN COC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C 758333702 582798984 /nfs/dbraw/zinc/79/89/84/582798984.db2.gz JFMVXVMMDHFAAT-VXNVDRBHSA-N 0 3 198.266 0.825 20 0 ACADHN COC(=O)N[C@H]1CN(C2CC2)C[C@H]1C 758333695 582799079 /nfs/dbraw/zinc/79/90/79/582799079.db2.gz JFMVXVMMDHFAAT-APPZFPTMSA-N 0 3 198.266 0.825 20 0 ACADHN COC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C 758333698 582799356 /nfs/dbraw/zinc/79/93/56/582799356.db2.gz JFMVXVMMDHFAAT-CBAPKCEASA-N 0 3 198.266 0.825 20 0 ACADHN FCCN1CCC(c2nc[nH]n2)CC1 759347638 582803349 /nfs/dbraw/zinc/80/33/49/582803349.db2.gz XDDCCFJBRBUFNC-UHFFFAOYSA-N 0 3 198.245 0.954 20 0 ACADHN CN(CCC(=O)C1CC1)C1CC(O)C1 759875168 582805302 /nfs/dbraw/zinc/80/53/02/582805302.db2.gz YEPZUSAKYXRNPA-UHFFFAOYSA-N 0 3 197.278 0.811 20 0 ACADHN C[C@H]1CN(C[C@@H]2CCCO2)CCN1C 761075028 582808760 /nfs/dbraw/zinc/80/87/60/582808760.db2.gz CBEVGRZDIBNGTC-QWRGUYRKSA-N 0 3 198.310 0.801 20 0 ACADHN COCCCN1CCN(C)[C@H](C)C1 761079318 582808959 /nfs/dbraw/zinc/80/89/59/582808959.db2.gz QPLFAWAUBCRWHH-SNVBAGLBSA-N 0 3 186.299 0.659 20 0 ACADHN C[C@H]1CN(C[C@H]2CCCO2)CCN1C 761075031 582809093 /nfs/dbraw/zinc/80/90/93/582809093.db2.gz CBEVGRZDIBNGTC-WDEREUQCSA-N 0 3 198.310 0.801 20 0 ACADHN C[C@H]1CN(CC2(C)COC2)CCN1C 761075518 582809118 /nfs/dbraw/zinc/80/91/18/582809118.db2.gz FOTUBWXRWSVEIQ-JTQLQIEISA-N 0 3 198.310 0.659 20 0 ACADHN C[C@@H]1CN(C[C@H]2CCCO2)CCN1C 761075023 582809156 /nfs/dbraw/zinc/80/91/56/582809156.db2.gz CBEVGRZDIBNGTC-GHMZBOCLSA-N 0 3 198.310 0.801 20 0 ACADHN C[C@@H]1CN(C[C@@H]2CCCO2)CCN1C 761075026 582809224 /nfs/dbraw/zinc/80/92/24/582809224.db2.gz CBEVGRZDIBNGTC-MNOVXSKESA-N 0 3 198.310 0.801 20 0 ACADHN COC[C@@H](C)N1CCN(C)[C@H](C)C1 761074684 582809261 /nfs/dbraw/zinc/80/92/61/582809261.db2.gz DWOQGTBGESLZCY-NXEZZACHSA-N 0 3 186.299 0.657 20 0 ACADHN CCOCCN1CCN(C)[C@@H](C)C1 761066258 582809292 /nfs/dbraw/zinc/80/92/92/582809292.db2.gz BIZDUODXNUILEC-JTQLQIEISA-N 0 3 186.299 0.659 20 0 ACADHN COC[C@@H](C)N1CCN(C)[C@@H](C)C1 761074688 582809414 /nfs/dbraw/zinc/80/94/14/582809414.db2.gz DWOQGTBGESLZCY-VHSXEESVSA-N 0 3 186.299 0.657 20 0 ACADHN COCCCN1CCN(C)[C@@H](C)C1 761079314 582809518 /nfs/dbraw/zinc/80/95/18/582809518.db2.gz QPLFAWAUBCRWHH-JTQLQIEISA-N 0 3 186.299 0.659 20 0 ACADHN C[C@@H]1CN(CC2(C)COC2)CCN1C 761075519 582809634 /nfs/dbraw/zinc/80/96/34/582809634.db2.gz FOTUBWXRWSVEIQ-SNVBAGLBSA-N 0 3 198.310 0.659 20 0 ACADHN COC[C@H](C)N1CCN(C)[C@H](C)C1 761074690 582809766 /nfs/dbraw/zinc/80/97/66/582809766.db2.gz DWOQGTBGESLZCY-ZJUUUORDSA-N 0 3 186.299 0.657 20 0 ACADHN CCOCCN1CCN(C)[C@H](C)C1 761066272 582809822 /nfs/dbraw/zinc/80/98/22/582809822.db2.gz BIZDUODXNUILEC-SNVBAGLBSA-N 0 3 186.299 0.659 20 0 ACADHN COC[C@H](C)N1CCN(C)[C@@H](C)C1 761074686 582809874 /nfs/dbraw/zinc/80/98/74/582809874.db2.gz DWOQGTBGESLZCY-UWVGGRQHSA-N 0 3 186.299 0.657 20 0 ACADHN CN(C)C1(C(=O)NCC2CC2)CCC1 762970683 582817607 /nfs/dbraw/zinc/81/76/07/582817607.db2.gz BBLZMIZOVZWJEE-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CCCCN1CCN2C(=O)OC[C@@H]2C1 763458149 582817948 /nfs/dbraw/zinc/81/79/48/582817948.db2.gz DIQZYCSDUJVLKA-VIFPVBQESA-N 0 3 198.266 0.923 20 0 ACADHN CC(C)CN1CCN2C(=O)OC[C@H]2C1 763458586 582818075 /nfs/dbraw/zinc/81/80/75/582818075.db2.gz MIBRERKLYXPRJV-SECBINFHSA-N 0 3 198.266 0.779 20 0 ACADHN CCCCN1CCN2C(=O)OC[C@H]2C1 763458147 582818328 /nfs/dbraw/zinc/81/83/28/582818328.db2.gz DIQZYCSDUJVLKA-SECBINFHSA-N 0 3 198.266 0.923 20 0 ACADHN CC(C)CN1CCN2C(=O)OC[C@@H]2C1 763458587 582818438 /nfs/dbraw/zinc/81/84/38/582818438.db2.gz MIBRERKLYXPRJV-VIFPVBQESA-N 0 3 198.266 0.779 20 0 ACADHN CN(CC1CC1)[C@H]1CCCCNC1=O 763522502 582819303 /nfs/dbraw/zinc/81/93/03/582819303.db2.gz ZBZFDEPDUMJSTE-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN CN(CC1CC1)[C@@H]1CCCCNC1=O 763522503 582819377 /nfs/dbraw/zinc/81/93/77/582819377.db2.gz ZBZFDEPDUMJSTE-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CN(CCO)C[C@@H]1CC2(CC2)C(=O)O1 763659603 582819550 /nfs/dbraw/zinc/81/95/50/582819550.db2.gz JCVQMPGZXHCKHB-QMMMGPOBSA-N 0 3 199.250 0.006 20 0 ACADHN CN(CCO)C[C@H]1CC2(CC2)C(=O)O1 763659602 582819617 /nfs/dbraw/zinc/81/96/17/582819617.db2.gz JCVQMPGZXHCKHB-MRVPVSSYSA-N 0 3 199.250 0.006 20 0 ACADHN CCCCN(C)[C@@H]1CCC(=O)NC1=O 765960444 582826483 /nfs/dbraw/zinc/82/64/83/582826483.db2.gz OLEWFQMQHKSOTQ-MRVPVSSYSA-N 0 3 198.266 0.524 20 0 ACADHN C[C@@H]1CCN([C@H]2CCC(=O)NC2=O)C1 765964341 582826523 /nfs/dbraw/zinc/82/65/23/582826523.db2.gz MSHPZTPMPXUGBL-SFYZADRCSA-N 0 3 196.250 0.133 20 0 ACADHN C[C@H]1CCN([C@H]2CCC(=O)NC2=O)C1 765964344 582826770 /nfs/dbraw/zinc/82/67/70/582826770.db2.gz MSHPZTPMPXUGBL-YUMQZZPRSA-N 0 3 196.250 0.133 20 0 ACADHN CCCCN(C)[C@H]1CCC(=O)NC1=O 765960445 582826821 /nfs/dbraw/zinc/82/68/21/582826821.db2.gz OLEWFQMQHKSOTQ-QMMMGPOBSA-N 0 3 198.266 0.524 20 0 ACADHN C[C@H]1CCN([C@@H]2CCC(=O)NC2=O)C1 765964339 582826870 /nfs/dbraw/zinc/82/68/70/582826870.db2.gz MSHPZTPMPXUGBL-JGVFFNPUSA-N 0 3 196.250 0.133 20 0 ACADHN C[C@@H]1CCN([C@@H]2CCC(=O)NC2=O)C1 765964338 582826914 /nfs/dbraw/zinc/82/69/14/582826914.db2.gz MSHPZTPMPXUGBL-HTQZYQBOSA-N 0 3 196.250 0.133 20 0 ACADHN CO[C@@H]1CCN(CCn2ccnc2)C1 766246610 582827936 /nfs/dbraw/zinc/82/79/36/582827936.db2.gz DKXPIDYAPUUCNS-SNVBAGLBSA-N 0 3 195.266 0.604 20 0 ACADHN O=C(CCN1CC[C@@H](CO)C1)C1CC1 767404919 582830822 /nfs/dbraw/zinc/83/08/22/582830822.db2.gz JUOKQJGFEBCJEF-SECBINFHSA-N 0 3 197.278 0.670 20 0 ACADHN O=C(CCN1CCC[C@@H](O)C1)C1CC1 767363816 582830854 /nfs/dbraw/zinc/83/08/54/582830854.db2.gz ZMJWILIXEZFFIJ-SNVBAGLBSA-N 0 3 197.278 0.812 20 0 ACADHN O=C(CCN1CCC[C@H]1CO)C1CC1 767370671 582830871 /nfs/dbraw/zinc/83/08/71/582830871.db2.gz OQDRUTOOOHFMLM-JTQLQIEISA-N 0 3 197.278 0.812 20 0 ACADHN O=C(CCN1CCC(O)CC1)C1CC1 767355941 582831038 /nfs/dbraw/zinc/83/10/38/582831038.db2.gz ZBZALKBOLZQKQE-UHFFFAOYSA-N 0 3 197.278 0.812 20 0 ACADHN O=C(CCN1CCC[C@H](O)C1)C1CC1 767363815 582831046 /nfs/dbraw/zinc/83/10/46/582831046.db2.gz ZMJWILIXEZFFIJ-JTQLQIEISA-N 0 3 197.278 0.812 20 0 ACADHN O=C(CCN1CCC[C@@H]1CO)C1CC1 767350722 582831053 /nfs/dbraw/zinc/83/10/53/582831053.db2.gz OQDRUTOOOHFMLM-SNVBAGLBSA-N 0 3 197.278 0.812 20 0 ACADHN O=C(CCN1CC[C@H](CO)C1)C1CC1 767404926 582831056 /nfs/dbraw/zinc/83/10/56/582831056.db2.gz JUOKQJGFEBCJEF-VIFPVBQESA-N 0 3 197.278 0.670 20 0 ACADHN O=C(CCN(CCO)C1CC1)C1CC1 767350348 582831412 /nfs/dbraw/zinc/83/14/12/582831412.db2.gz JRYJXQYVZXUONT-UHFFFAOYSA-N 0 3 197.278 0.812 20 0 ACADHN C[C@]1(O)CCN(CCC(=O)C2CC2)C1 767415025 582831660 /nfs/dbraw/zinc/83/16/60/582831660.db2.gz NYLRTAJRRHOJIJ-NSHDSACASA-N 0 3 197.278 0.812 20 0 ACADHN C[C@@]1(O)CCN(CCC(=O)C2CC2)C1 767415024 582831666 /nfs/dbraw/zinc/83/16/66/582831666.db2.gz NYLRTAJRRHOJIJ-LLVKDONJSA-N 0 3 197.278 0.812 20 0 ACADHN CO[C@H](CN)c1ncc(Cl)n1C 300750036 582832131 /nfs/dbraw/zinc/83/21/31/582832131.db2.gz GEJGNOQQHNLFCI-RXMQYKEDSA-N 0 3 189.646 0.720 20 0 ACADHN CO[C@@H](CN)c1ncc(Cl)n1C 300750037 582832494 /nfs/dbraw/zinc/83/24/94/582832494.db2.gz GEJGNOQQHNLFCI-YFKPBYRVSA-N 0 3 189.646 0.720 20 0 ACADHN C[C@H]1CN(CCC(=O)C2CC2)C[C@H]1O 768764749 582835479 /nfs/dbraw/zinc/83/54/79/582835479.db2.gz AVLVHZNCKZVOIN-GZMMTYOYSA-N 0 3 197.278 0.668 20 0 ACADHN C[C@H]1CN(CCC(=O)C2CC2)C[C@@H]1O 768764752 582835737 /nfs/dbraw/zinc/83/57/37/582835737.db2.gz AVLVHZNCKZVOIN-KWQFWETISA-N 0 3 197.278 0.668 20 0 ACADHN C[C@@H]1CN(CCC(=O)C2CC2)C[C@@H]1O 768764750 582836347 /nfs/dbraw/zinc/83/63/47/582836347.db2.gz AVLVHZNCKZVOIN-KCJUWKMLSA-N 0 3 197.278 0.668 20 0 ACADHN C[C@@H]1CN(CCC(=O)C2CC2)C[C@H]1O 768764753 582836390 /nfs/dbraw/zinc/83/63/90/582836390.db2.gz AVLVHZNCKZVOIN-LDYMZIIASA-N 0 3 197.278 0.668 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)C1=COCC1 805426770 582845162 /nfs/dbraw/zinc/84/51/62/582845162.db2.gz UFXKNFARFFVGLH-QMMMGPOBSA-N 0 3 198.266 0.357 20 0 ACADHN CC[C@H](C)OC(=O)C1CCN(C)C1=O 772510195 582849655 /nfs/dbraw/zinc/84/96/55/582849655.db2.gz KRJOGYCJQILNDS-YUMQZZPRSA-N 0 3 199.250 0.806 20 0 ACADHN CC[C@@H](C)OC(=O)C1CCN(C)C1=O 772510192 582849818 /nfs/dbraw/zinc/84/98/18/582849818.db2.gz KRJOGYCJQILNDS-SFYZADRCSA-N 0 3 199.250 0.806 20 0 ACADHN CC[C@@H](C)OC(=O)C1CCN(C)C1=O 772510188 582849839 /nfs/dbraw/zinc/84/98/39/582849839.db2.gz KRJOGYCJQILNDS-HTQZYQBOSA-N 0 3 199.250 0.806 20 0 ACADHN CC[C@H](C)OC(=O)C1CCN(C)C1=O 772510190 582850391 /nfs/dbraw/zinc/85/03/91/582850391.db2.gz KRJOGYCJQILNDS-JGVFFNPUSA-N 0 3 199.250 0.806 20 0 ACADHN CN1CCC(ONC(=O)C2CC2)CC1 773548386 582854410 /nfs/dbraw/zinc/85/44/10/582854410.db2.gz WYOSSMBPZUBIGZ-UHFFFAOYSA-N 0 3 198.266 0.538 20 0 ACADHN Cc1noc(OCCN2CCCC2)n1 776433029 582865748 /nfs/dbraw/zinc/86/57/48/582865748.db2.gz JQZGRACYOWDRJZ-UHFFFAOYSA-N 0 3 197.238 0.853 20 0 ACADHN COC[C@@H]1CCCN1Cn1cnnc1 776764336 582866721 /nfs/dbraw/zinc/86/67/21/582866721.db2.gz NAYVMJLERMBVIZ-VIFPVBQESA-N 0 3 196.254 0.346 20 0 ACADHN c1nncn1CN1CC[C@@H](C2CC2)C1 776762227 582866729 /nfs/dbraw/zinc/86/67/29/582866729.db2.gz KLUYIWIOXGXYMZ-SNVBAGLBSA-N 0 3 192.266 0.968 20 0 ACADHN c1nncn1CN1CC[C@H](C2CC2)C1 776762223 582866766 /nfs/dbraw/zinc/86/67/66/582866766.db2.gz KLUYIWIOXGXYMZ-JTQLQIEISA-N 0 3 192.266 0.968 20 0 ACADHN COC[C@H]1CCCN1Cn1cnnc1 776764335 582867042 /nfs/dbraw/zinc/86/70/42/582867042.db2.gz NAYVMJLERMBVIZ-SECBINFHSA-N 0 3 196.254 0.346 20 0 ACADHN CC1(C)[C@H]2CN(Cn3cnnc3)C[C@H]21 776761033 582867061 /nfs/dbraw/zinc/86/70/61/582867061.db2.gz ZPRRDNGOKGADJR-DTORHVGOSA-N 0 3 192.266 0.823 20 0 ACADHN CN(C)CCNC(=O)[C@H]1CCC=CO1 777839452 582867909 /nfs/dbraw/zinc/86/79/09/582867909.db2.gz YVDMHGPMDRSPBD-SECBINFHSA-N 0 3 198.266 0.357 20 0 ACADHN CN(C)CCNC(=O)[C@@H]1CCC=CO1 777839453 582868100 /nfs/dbraw/zinc/86/81/00/582868100.db2.gz YVDMHGPMDRSPBD-VIFPVBQESA-N 0 3 198.266 0.357 20 0 ACADHN CC[C@@H](C)N1CCN2C(=O)OC[C@H]2C1 782187788 582883084 /nfs/dbraw/zinc/88/30/84/582883084.db2.gz NPWBSULXZPHGCO-RKDXNWHRSA-N 0 3 198.266 0.921 20 0 ACADHN CC[C@H](C)N1CCN2C(=O)OC[C@@H]2C1 782187787 582883379 /nfs/dbraw/zinc/88/33/79/582883379.db2.gz NPWBSULXZPHGCO-IUCAKERBSA-N 0 3 198.266 0.921 20 0 ACADHN CC[C@H](C)N1CCN2C(=O)OC[C@H]2C1 782187785 582883585 /nfs/dbraw/zinc/88/35/85/582883585.db2.gz NPWBSULXZPHGCO-DTWKUNHWSA-N 0 3 198.266 0.921 20 0 ACADHN CC[C@@H](C)N1CCN2C(=O)OC[C@@H]2C1 782187782 582883832 /nfs/dbraw/zinc/88/38/32/582883832.db2.gz NPWBSULXZPHGCO-BDAKNGLRSA-N 0 3 198.266 0.921 20 0 ACADHN CO[C@@H](C)CN1CCN(C)[C@H](C)C1 782486407 582884056 /nfs/dbraw/zinc/88/40/56/582884056.db2.gz JDNLDYPPXNJUKI-ZJUUUORDSA-N 0 3 186.299 0.657 20 0 ACADHN CO[C@H](C)CN1CCN(C)[C@H](C)C1 782486404 582884077 /nfs/dbraw/zinc/88/40/77/582884077.db2.gz JDNLDYPPXNJUKI-NXEZZACHSA-N 0 3 186.299 0.657 20 0 ACADHN CO[C@@H](C)CN1CCN(C)[C@@H](C)C1 782486405 582884173 /nfs/dbraw/zinc/88/41/73/582884173.db2.gz JDNLDYPPXNJUKI-UWVGGRQHSA-N 0 3 186.299 0.657 20 0 ACADHN CO[C@H](C)CN1CCN(C)[C@@H](C)C1 782486406 582884871 /nfs/dbraw/zinc/88/48/71/582884871.db2.gz JDNLDYPPXNJUKI-VHSXEESVSA-N 0 3 186.299 0.657 20 0 ACADHN OC[C@]12C[C@H]1CN(C[C@@H]1CCCO1)C2 782607482 582885027 /nfs/dbraw/zinc/88/50/27/582885027.db2.gz JJTYNPMIYQIVGD-GARJFASQSA-N 0 3 197.278 0.480 20 0 ACADHN OC[C@]12C[C@H]1CN(C[C@H]1CCCO1)C2 782607486 582885304 /nfs/dbraw/zinc/88/53/04/582885304.db2.gz JJTYNPMIYQIVGD-HBNTYKKESA-N 0 3 197.278 0.480 20 0 ACADHN CN1CC[C@H](NC(=O)OCC2CC2)C1 784957307 582891855 /nfs/dbraw/zinc/89/18/55/582891855.db2.gz XXLIMQOIMKGPCQ-VIFPVBQESA-N 0 3 198.266 0.827 20 0 ACADHN CN1CC[C@@H](NC(=O)OCC2CC2)C1 784957306 582891927 /nfs/dbraw/zinc/89/19/27/582891927.db2.gz XXLIMQOIMKGPCQ-SECBINFHSA-N 0 3 198.266 0.827 20 0 ACADHN CO[N-]C(=O)C1CC[NH+](C2CC2)CC1 786862335 582896875 /nfs/dbraw/zinc/89/68/75/582896875.db2.gz NGGIZCCVMPFSPG-UHFFFAOYSA-N 0 3 198.266 0.538 20 0 ACADHN C[C@H]1C[C@H](O)CN1CCC(=O)C1CC1 788275254 582901504 /nfs/dbraw/zinc/90/15/04/582901504.db2.gz LSMMONMTVGSIBB-WPRPVWTQSA-N 0 3 197.278 0.811 20 0 ACADHN C[C@H]1C[C@@H](O)CN1CCC(=O)C1CC1 788275253 582901984 /nfs/dbraw/zinc/90/19/84/582901984.db2.gz LSMMONMTVGSIBB-WCBMZHEXSA-N 0 3 197.278 0.811 20 0 ACADHN C[C@@H]1C[C@@H](O)CN1CCC(=O)C1CC1 788275249 582901975 /nfs/dbraw/zinc/90/19/75/582901975.db2.gz LSMMONMTVGSIBB-PSASIEDQSA-N 0 3 197.278 0.811 20 0 ACADHN CN1CCN(C[C@@H]2CCC=CO2)CC1 788443234 582902565 /nfs/dbraw/zinc/90/25/65/582902565.db2.gz OCMJEDHOCWSAAF-NSHDSACASA-N 0 3 196.294 0.927 20 0 ACADHN CN1CCN(C[C@H]2CCC=CO2)CC1 788443233 582902968 /nfs/dbraw/zinc/90/29/68/582902968.db2.gz OCMJEDHOCWSAAF-LLVKDONJSA-N 0 3 196.294 0.927 20 0 ACADHN CN(C)CCCOC(=O)C1CC(=O)C1 792089047 582915442 /nfs/dbraw/zinc/91/54/42/582915442.db2.gz RCFSVYCCBRJFIJ-UHFFFAOYSA-N 0 3 199.250 0.460 20 0 ACADHN CCC(=O)CCN1C[C@@H]2[C@@H](CO)[C@@H]2C1 794843213 582921948 /nfs/dbraw/zinc/92/19/48/582921948.db2.gz PAYSGTHPXKJANY-URLYPYJESA-N 0 3 197.278 0.526 20 0 ACADHN OC[C@@]12C[C@@H]1CN(Cc1cnc[nH]1)C2 796457029 582925825 /nfs/dbraw/zinc/92/58/25/582925825.db2.gz TURQUFQYTYZQKO-SCZZXKLOSA-N 0 3 193.250 0.224 20 0 ACADHN OC[C@]12C[C@H]1CN(Cc1cnc[nH]1)C2 796457031 582925856 /nfs/dbraw/zinc/92/58/56/582925856.db2.gz TURQUFQYTYZQKO-WCBMZHEXSA-N 0 3 193.250 0.224 20 0 ACADHN Cc1cc[nH]c1C(=O)NCCN(C)C 797786618 582929371 /nfs/dbraw/zinc/92/93/71/582929371.db2.gz DSCOGQRDRHWMBL-UHFFFAOYSA-N 0 3 195.266 0.615 20 0 ACADHN CCNC(=O)NCCN1CCC[C@H]1C 800937523 582935194 /nfs/dbraw/zinc/93/51/94/582935194.db2.gz XKWDFINGTWJEOV-SECBINFHSA-N 0 3 199.298 0.790 20 0 ACADHN CCNC(=O)NCCN1CCC[C@@H]1C 800937524 582935204 /nfs/dbraw/zinc/93/52/04/582935204.db2.gz XKWDFINGTWJEOV-VIFPVBQESA-N 0 3 199.298 0.790 20 0 ACADHN CC(C)C(=O)CCN1CC[C@@H](CO)C1 808729402 582958861 /nfs/dbraw/zinc/95/88/61/582958861.db2.gz ZTDKSFULDGPHSR-SNVBAGLBSA-N 0 3 199.294 0.916 20 0 ACADHN CC(C)C(=O)CCN1CC[C@H](CO)C1 808729396 582959229 /nfs/dbraw/zinc/95/92/29/582959229.db2.gz ZTDKSFULDGPHSR-JTQLQIEISA-N 0 3 199.294 0.916 20 0 ACADHN CC(C)C(=O)CCN1C[C@@H](O)[C@H](C)C1 808741919 582959284 /nfs/dbraw/zinc/95/92/84/582959284.db2.gz UJPDOEPSQCPRKG-MWLCHTKSSA-N 0 3 199.294 0.914 20 0 ACADHN CC(C)C(=O)CCN1C[C@H](C)[C@@H](O)C1 808741920 582960211 /nfs/dbraw/zinc/96/02/11/582960211.db2.gz UJPDOEPSQCPRKG-ONGXEEELSA-N 0 3 199.294 0.914 20 0 ACADHN CC(C)C(=O)CCN1C[C@H](C)[C@H](O)C1 808741917 582960267 /nfs/dbraw/zinc/96/02/67/582960267.db2.gz UJPDOEPSQCPRKG-GXSJLCMTSA-N 0 3 199.294 0.914 20 0 ACADHN CC(C)C(=O)CCN1C[C@@H](C)[C@@H](O)C1 808741918 582960355 /nfs/dbraw/zinc/96/03/55/582960355.db2.gz UJPDOEPSQCPRKG-KOLCDFICSA-N 0 3 199.294 0.914 20 0 ACADHN CN(CCC(N)=O)C[C@H]1CCC=CO1 809713942 582962585 /nfs/dbraw/zinc/96/25/85/582962585.db2.gz RLIARMPFUWHHOX-SECBINFHSA-N 0 3 198.266 0.486 20 0 ACADHN CN(CCC(N)=O)C[C@@H]1CCC=CO1 809713943 582962617 /nfs/dbraw/zinc/96/26/17/582962617.db2.gz RLIARMPFUWHHOX-VIFPVBQESA-N 0 3 198.266 0.486 20 0 ACADHN CN(CCO)Cc1ccc(O)c(F)c1 813334576 582974632 /nfs/dbraw/zinc/97/46/32/582974632.db2.gz QJPAZJSLCXJGIR-UHFFFAOYSA-N 0 3 199.225 0.955 20 0 ACADHN CCO/C=C/C(=O)NCCN(C)C 816816880 582990025 /nfs/dbraw/zinc/99/00/25/582990025.db2.gz LGLXHNOEQACHSJ-VMPITWQZSA-N 0 3 186.255 0.214 20 0 ACADHN CCO/C=C\C(=O)NCCN(C)C 816816881 582990131 /nfs/dbraw/zinc/99/01/31/582990131.db2.gz LGLXHNOEQACHSJ-YVMONPNESA-N 0 3 186.255 0.214 20 0 ACADHN CN(CCF)C[C@@H]1CCCN1C 817291549 582993991 /nfs/dbraw/zinc/99/39/91/582993991.db2.gz OFHMWAJYULGNDV-VIFPVBQESA-N 0 3 174.263 0.982 20 0 ACADHN CN(CCF)C[C@H]1CCCN1C 817291541 582994003 /nfs/dbraw/zinc/99/40/03/582994003.db2.gz OFHMWAJYULGNDV-SECBINFHSA-N 0 3 174.263 0.982 20 0 ACADHN C[N@@H+]1CC[C@H](C(=O)[N-]OCC2CC2)C1 817334771 582994662 /nfs/dbraw/zinc/99/46/62/582994662.db2.gz QIJIQDAIVPIEQW-VIFPVBQESA-N 0 3 198.266 0.396 20 0 ACADHN C[N@H+]1CC[C@H](C(=O)[N-]OCC2CC2)C1 817334771 582994663 /nfs/dbraw/zinc/99/46/63/582994663.db2.gz QIJIQDAIVPIEQW-VIFPVBQESA-N 0 3 198.266 0.396 20 0 ACADHN C[N@@H+]1CC[C@@H](C(=O)[N-]OCC2CC2)C1 817334770 582994959 /nfs/dbraw/zinc/99/49/59/582994959.db2.gz QIJIQDAIVPIEQW-SECBINFHSA-N 0 3 198.266 0.396 20 0 ACADHN C[N@H+]1CC[C@@H](C(=O)[N-]OCC2CC2)C1 817334770 582994961 /nfs/dbraw/zinc/99/49/61/582994961.db2.gz QIJIQDAIVPIEQW-SECBINFHSA-N 0 3 198.266 0.396 20 0 ACADHN C[C@@H]1C[C@H]1CNC(=O)[C@@H]1C[C@@H]1N 818065095 583002159 /nfs/dbraw/zinc/00/21/59/583002159.db2.gz BKKUJELCQSMGNN-CWKFCGSDSA-N 0 3 168.240 0.106 20 0 ACADHN C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1N 818065098 583002465 /nfs/dbraw/zinc/00/24/65/583002465.db2.gz BKKUJELCQSMGNN-XUTVFYLZSA-N 0 3 168.240 0.106 20 0 ACADHN C[C@H]1C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1N 818065097 583002578 /nfs/dbraw/zinc/00/25/78/583002578.db2.gz BKKUJELCQSMGNN-OSMVPFSASA-N 0 3 168.240 0.106 20 0 ACADHN CCC(CC)CNC(=O)[C@@H]1C[C@@H]1N 818056892 583002613 /nfs/dbraw/zinc/00/26/13/583002613.db2.gz IGSSEEGOEXUTSX-BDAKNGLRSA-N 0 3 184.283 0.886 20 0 ACADHN C[C@H]1C[C@H]1CNC(=O)[C@@H]1C[C@@H]1N 818065096 583002639 /nfs/dbraw/zinc/00/26/39/583002639.db2.gz BKKUJELCQSMGNN-HSNKUXOKSA-N 0 3 168.240 0.106 20 0 ACADHN CC(C)(C)CCNC(=O)[C@@H]1C[C@@H]1N 818057803 583002648 /nfs/dbraw/zinc/00/26/48/583002648.db2.gz QISIVGNLSHEKEE-SFYZADRCSA-N 0 3 184.283 0.886 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)nc1 818056080 583002688 /nfs/dbraw/zinc/00/26/88/583002688.db2.gz PGGCYKXQDSDUGY-NKWVEPMBSA-N 0 3 195.197 0.506 20 0 ACADHN Cc1nnc(NC(=O)[C@@H]2C[C@@H]2N)s1 818046976 583002741 /nfs/dbraw/zinc/00/27/41/583002741.db2.gz NCTJTYIHQIKIES-UHNVWZDZSA-N 0 3 198.251 0.132 20 0 ACADHN CC1(C)C[C@@H]1CNC(=O)[C@@H]1C[C@@H]1N 818120431 583003559 /nfs/dbraw/zinc/00/35/59/583003559.db2.gz JGGZJSOODUSYDK-PRJMDXOYSA-N 0 3 182.267 0.496 20 0 ACADHN C[C@H](CNC(=O)[C@@H]1C[C@@H]1N)C1CC1 818094673 583003603 /nfs/dbraw/zinc/00/36/03/583003603.db2.gz URGVKVMPKAISMV-VDAHYXPESA-N 0 3 182.267 0.496 20 0 ACADHN C[C@@H](CNC(=O)[C@@H]1C[C@@H]1N)C1CC1 818094674 583003690 /nfs/dbraw/zinc/00/36/90/583003690.db2.gz URGVKVMPKAISMV-ZQARSLAVSA-N 0 3 182.267 0.496 20 0 ACADHN C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)CC1 818102305 583003791 /nfs/dbraw/zinc/00/37/91/583003791.db2.gz PMLLGGXJFWQJIW-BBBLOLIVSA-N 0 3 196.294 0.982 20 0 ACADHN CCC1(CNC(=O)[C@@H]2C[C@@H]2N)CC1 818118840 583003805 /nfs/dbraw/zinc/00/38/05/583003805.db2.gz RBCFAHPDUZEHEM-SFYZADRCSA-N 0 3 182.267 0.640 20 0 ACADHN CC1(C)[C@H]2CN(C(=O)[C@@H]3C[C@@H]3N)C[C@H]21 818140010 583004337 /nfs/dbraw/zinc/00/43/37/583004337.db2.gz UCTPIERNEDLILU-HXFLIBJXSA-N 0 3 194.278 0.448 20 0 ACADHN CC1(C)C[C@H]1CNC(=O)[C@@H]1C[C@@H]1N 818120432 583004358 /nfs/dbraw/zinc/00/43/58/583004358.db2.gz JGGZJSOODUSYDK-RNJXMRFFSA-N 0 3 182.267 0.496 20 0 ACADHN C[C@]1(CNC(=O)[C@@H]2C[C@@H]2N)CCCO1 818119112 583004369 /nfs/dbraw/zinc/00/43/69/583004369.db2.gz UWDANWRLZWWNSW-KHQFGBGNSA-N 0 3 198.266 0.019 20 0 ACADHN C[C@@]1(CNC(=O)[C@@H]2C[C@@H]2N)CCCO1 818119113 583004404 /nfs/dbraw/zinc/00/44/04/583004404.db2.gz UWDANWRLZWWNSW-WEDXCCLWSA-N 0 3 198.266 0.019 20 0 ACADHN C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2N)CC1 818102304 583004425 /nfs/dbraw/zinc/00/44/25/583004425.db2.gz PMLLGGXJFWQJIW-AEJSXWLSSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C[C@@H]1C 818217529 583004813 /nfs/dbraw/zinc/00/48/13/583004813.db2.gz PFYWIYDATUUXJH-RGOKHQFPSA-N 0 3 196.294 0.838 20 0 ACADHN CC[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 818160831 583004830 /nfs/dbraw/zinc/00/48/30/583004830.db2.gz ZBWUGFNBADVOLO-YIZRAAEISA-N 0 3 182.267 0.592 20 0 ACADHN C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2N)CCO1 818217851 583004854 /nfs/dbraw/zinc/00/48/54/583004854.db2.gz TVVIPKQNKAXXMT-MAUMQABQSA-N 0 3 198.266 0.017 20 0 ACADHN CC[C@H]1C[C@H](C)CN1C(=O)[C@@H]1C[C@@H]1N 818130722 583004876 /nfs/dbraw/zinc/00/48/76/583004876.db2.gz UABRIRWVQQASLO-QEYWKRMJSA-N 0 3 196.294 0.981 20 0 ACADHN C[C@H]1CC[C@H](C)N1C(=O)[C@@H]1C[C@@H]1N 818159519 583004890 /nfs/dbraw/zinc/00/48/90/583004890.db2.gz OPKBWSMJDAJKSP-MAUMQABQSA-N 0 3 182.267 0.733 20 0 ACADHN C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)[C@H]1C 818154353 583004899 /nfs/dbraw/zinc/00/48/99/583004899.db2.gz RKPPJJMSTCVVAS-MAUMQABQSA-N 0 3 182.267 0.591 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)NCCCC1CC1 818133938 583004943 /nfs/dbraw/zinc/00/49/43/583004943.db2.gz UNELFHUHKRNRSZ-DTWKUNHWSA-N 0 3 182.267 0.640 20 0 ACADHN C[C@H]1CCCCN(C(=O)[C@@H]2C[C@@H]2N)C1 818224715 583004969 /nfs/dbraw/zinc/00/49/69/583004969.db2.gz PAJOXTJHOXAPGU-AEJSXWLSSA-N 0 3 196.294 0.982 20 0 ACADHN CS[C@H](C)CNC(=O)[C@@H]1C[C@@H]1N 818196059 583005038 /nfs/dbraw/zinc/00/50/38/583005038.db2.gz IJFBKAKMSJWWBY-QYNIQEEDSA-N 0 3 188.296 0.201 20 0 ACADHN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H]1C[C@@H]1N 818130721 583005043 /nfs/dbraw/zinc/00/50/43/583005043.db2.gz UABRIRWVQQASLO-KYXWUPHJSA-N 0 3 196.294 0.981 20 0 ACADHN C[C@@H]1CC[C@@H](C)N1C(=O)[C@@H]1C[C@@H]1N 818159517 583005047 /nfs/dbraw/zinc/00/50/47/583005047.db2.gz OPKBWSMJDAJKSP-BGZDPUMWSA-N 0 3 182.267 0.733 20 0 ACADHN C[C@H]1[C@H](C)CCN1C(=O)[C@@H]1C[C@@H]1N 818154354 583005052 /nfs/dbraw/zinc/00/50/52/583005052.db2.gz RKPPJJMSTCVVAS-XAVMHZPKSA-N 0 3 182.267 0.591 20 0 ACADHN C[C@@H](N(C)C(=O)[C@@H]1C[C@@H]1N)C1(C)CC1 818159427 583005076 /nfs/dbraw/zinc/00/50/76/583005076.db2.gz RFTBANVPVMVXLZ-HLTSFMKQSA-N 0 3 196.294 0.981 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCOCC1 818215562 583005098 /nfs/dbraw/zinc/00/50/98/583005098.db2.gz KJBNKOZJENLEPW-XHNCKOQMSA-N 0 3 198.266 0.019 20 0 ACADHN C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2N)CCO1 818217849 583005121 /nfs/dbraw/zinc/00/51/21/583005121.db2.gz TVVIPKQNKAXXMT-KDXUFGMBSA-N 0 3 198.266 0.017 20 0 ACADHN CSC[C@H](C)NC(=O)[C@@H]1C[C@@H]1N 818133574 583005171 /nfs/dbraw/zinc/00/51/71/583005171.db2.gz KCTMDSNMVOELAK-XVMARJQXSA-N 0 3 188.296 0.201 20 0 ACADHN C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2N)CCO1 818217836 583005183 /nfs/dbraw/zinc/00/51/83/583005183.db2.gz TVVIPKQNKAXXMT-BGZDPUMWSA-N 0 3 198.266 0.017 20 0 ACADHN CC[C@H]1C[C@@H](C)CN1C(=O)[C@@H]1C[C@@H]1N 818130723 583005199 /nfs/dbraw/zinc/00/51/99/583005199.db2.gz UABRIRWVQQASLO-RGOKHQFPSA-N 0 3 196.294 0.981 20 0 ACADHN CSC[C@@H](C)NC(=O)[C@@H]1C[C@@H]1N 818133573 583005230 /nfs/dbraw/zinc/00/52/30/583005230.db2.gz KCTMDSNMVOELAK-QYNIQEEDSA-N 0 3 188.296 0.201 20 0 ACADHN CC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C1 818160829 583005255 /nfs/dbraw/zinc/00/52/55/583005255.db2.gz ZBWUGFNBADVOLO-HLTSFMKQSA-N 0 3 182.267 0.592 20 0 ACADHN C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2N)CC[C@H]1C 818217526 583005268 /nfs/dbraw/zinc/00/52/68/583005268.db2.gz PFYWIYDATUUXJH-KYXWUPHJSA-N 0 3 196.294 0.838 20 0 ACADHN CS[C@@H](C)CNC(=O)[C@@H]1C[C@@H]1N 818196060 583005307 /nfs/dbraw/zinc/00/53/07/583005307.db2.gz IJFBKAKMSJWWBY-XVMARJQXSA-N 0 3 188.296 0.201 20 0 ACADHN C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)[C@@H]1C 818154351 583005347 /nfs/dbraw/zinc/00/53/47/583005347.db2.gz RKPPJJMSTCVVAS-BGZDPUMWSA-N 0 3 182.267 0.591 20 0 ACADHN C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C[C@H]1C 818217507 583005363 /nfs/dbraw/zinc/00/53/63/583005363.db2.gz PFYWIYDATUUXJH-JLIMGVALSA-N 0 3 196.294 0.838 20 0 ACADHN C[C@@H]1CCCCN(C(=O)[C@@H]2C[C@@H]2N)C1 818224716 583005380 /nfs/dbraw/zinc/00/53/80/583005380.db2.gz PAJOXTJHOXAPGU-BBBLOLIVSA-N 0 3 196.294 0.982 20 0 ACADHN CCN(CC(F)F)C(=O)[C@@H]1C[C@@H]1N 818215847 583005412 /nfs/dbraw/zinc/00/54/12/583005412.db2.gz POSKJBXJDQYMEW-RITPCOANSA-N 0 3 192.209 0.447 20 0 ACADHN C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2N)CCO1 818217853 583005436 /nfs/dbraw/zinc/00/54/36/583005436.db2.gz TVVIPKQNKAXXMT-XAVMHZPKSA-N 0 3 198.266 0.017 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)NCCC1CC1 818128355 583005449 /nfs/dbraw/zinc/00/54/49/583005449.db2.gz JVJNNIFQGRGONU-JGVFFNPUSA-N 0 3 168.240 0.250 20 0 ACADHN C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)[C@@H]1C 818154352 583005479 /nfs/dbraw/zinc/00/54/79/583005479.db2.gz RKPPJJMSTCVVAS-KDXUFGMBSA-N 0 3 182.267 0.591 20 0 ACADHN CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H]1C[C@@H]1N 818130720 583005514 /nfs/dbraw/zinc/00/55/14/583005514.db2.gz UABRIRWVQQASLO-JLIMGVALSA-N 0 3 196.294 0.981 20 0 ACADHN C[C@H]1CCN(C(=O)[C@@H]2C[C@@H]2N)C[C@@H]1C 818217527 583005565 /nfs/dbraw/zinc/00/55/65/583005565.db2.gz PFYWIYDATUUXJH-QEYWKRMJSA-N 0 3 196.294 0.838 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCOCC1 818215561 583005614 /nfs/dbraw/zinc/00/56/14/583005614.db2.gz KJBNKOZJENLEPW-HRDYMLBCSA-N 0 3 198.266 0.019 20 0 ACADHN C[C@H]1CC[C@@H](C)N1C(=O)[C@@H]1C[C@@H]1N 818159652 583005706 /nfs/dbraw/zinc/00/57/06/583005706.db2.gz OPKBWSMJDAJKSP-XAVMHZPKSA-N 0 3 182.267 0.733 20 0 ACADHN C[C@H](N(C)C(=O)[C@@H]1C[C@@H]1N)C1(C)CC1 818159428 583005655 /nfs/dbraw/zinc/00/56/55/583005655.db2.gz RFTBANVPVMVXLZ-YIZRAAEISA-N 0 3 196.294 0.981 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]1C1CCC1 818287308 583005964 /nfs/dbraw/zinc/00/59/64/583005964.db2.gz VDTVHDYHMVLNKR-AXTSPUMRSA-N 0 3 194.278 0.638 20 0 ACADHN CCn1cncc1CN[C@@H]1CC[C@H]1O 818231339 583006324 /nfs/dbraw/zinc/00/63/24/583006324.db2.gz OOKPYVYLOQTXPU-NXEZZACHSA-N 0 3 195.266 0.516 20 0 ACADHN CCNCC(=O)N[C@@H](C)[C@@H](C)OC 818610550 583007842 /nfs/dbraw/zinc/00/78/42/583007842.db2.gz JAJNORDMEXSCOW-JGVFFNPUSA-N 0 3 188.271 0.136 20 0 ACADHN CCNCC(=O)N[C@@H](C)[C@H](C)OC 818610553 583007596 /nfs/dbraw/zinc/00/75/96/583007596.db2.gz JAJNORDMEXSCOW-YUMQZZPRSA-N 0 3 188.271 0.136 20 0 ACADHN CCc1cc(CNC[C@H](O)CC)n[nH]1 819052918 583009560 /nfs/dbraw/zinc/00/95/60/583009560.db2.gz FXUCRGINIVTGEX-SNVBAGLBSA-N 0 3 197.282 0.833 20 0 ACADHN CCc1cc(CNC[C@H](O)CC)[nH]n1 819052918 583009561 /nfs/dbraw/zinc/00/95/61/583009561.db2.gz FXUCRGINIVTGEX-SNVBAGLBSA-N 0 3 197.282 0.833 20 0 ACADHN CCc1cc(CNC[C@H](C)O)n[nH]1 819053167 583009949 /nfs/dbraw/zinc/00/99/49/583009949.db2.gz GRQBDDVZVKJFNX-ZETCQYMHSA-N 0 3 183.255 0.443 20 0 ACADHN CCc1cc(CNC[C@H](C)O)[nH]n1 819053167 583009950 /nfs/dbraw/zinc/00/99/50/583009950.db2.gz GRQBDDVZVKJFNX-ZETCQYMHSA-N 0 3 183.255 0.443 20 0 ACADHN CCc1cc(CNC[C@@H](C)O)n[nH]1 819053166 583010189 /nfs/dbraw/zinc/01/01/89/583010189.db2.gz GRQBDDVZVKJFNX-SSDOTTSWSA-N 0 3 183.255 0.443 20 0 ACADHN CCc1cc(CNC[C@@H](C)O)[nH]n1 819053166 583010191 /nfs/dbraw/zinc/01/01/91/583010191.db2.gz GRQBDDVZVKJFNX-SSDOTTSWSA-N 0 3 183.255 0.443 20 0 ACADHN CCc1cc(CNC[C@@H](O)CC)n[nH]1 819052916 583010205 /nfs/dbraw/zinc/01/02/05/583010205.db2.gz FXUCRGINIVTGEX-JTQLQIEISA-N 0 3 197.282 0.833 20 0 ACADHN CCc1cc(CNC[C@@H](O)CC)[nH]n1 819052916 583010209 /nfs/dbraw/zinc/01/02/09/583010209.db2.gz FXUCRGINIVTGEX-JTQLQIEISA-N 0 3 197.282 0.833 20 0 ACADHN COC[C@H](O)CN[C@H](C)c1ccc[nH]1 819193941 583010616 /nfs/dbraw/zinc/01/06/16/583010616.db2.gz MTHSDPHJVOLIEW-RKDXNWHRSA-N 0 3 198.266 0.673 20 0 ACADHN COC[C@@H](O)CN[C@@H](C)c1ccc[nH]1 819193940 583010676 /nfs/dbraw/zinc/01/06/76/583010676.db2.gz MTHSDPHJVOLIEW-IUCAKERBSA-N 0 3 198.266 0.673 20 0 ACADHN C[C@H](O)CNCc1cccc(F)n1 819182951 583010823 /nfs/dbraw/zinc/01/08/23/583010823.db2.gz JTVSYSXWTIFJSA-ZETCQYMHSA-N 0 3 184.214 0.691 20 0 ACADHN C[C@@H](NCCC(N)=O)c1ccc[nH]1 819194420 583010867 /nfs/dbraw/zinc/01/08/67/583010867.db2.gz RCBAHMNRCDYZCR-SSDOTTSWSA-N 0 3 181.239 0.541 20 0 ACADHN C[C@H](NCCC(N)=O)c1ccc[nH]1 819194421 583010871 /nfs/dbraw/zinc/01/08/71/583010871.db2.gz RCBAHMNRCDYZCR-ZETCQYMHSA-N 0 3 181.239 0.541 20 0 ACADHN COC[C@@H](O)CN[C@H](C)c1ccc[nH]1 819193937 583011199 /nfs/dbraw/zinc/01/11/99/583011199.db2.gz MTHSDPHJVOLIEW-BDAKNGLRSA-N 0 3 198.266 0.673 20 0 ACADHN COC[C@H](O)CN[C@@H](C)c1ccc[nH]1 819193938 583011211 /nfs/dbraw/zinc/01/12/11/583011211.db2.gz MTHSDPHJVOLIEW-DTWKUNHWSA-N 0 3 198.266 0.673 20 0 ACADHN C[C@@H](O)CNCc1cccc(F)n1 819182950 583011235 /nfs/dbraw/zinc/01/12/35/583011235.db2.gz JTVSYSXWTIFJSA-SSDOTTSWSA-N 0 3 184.214 0.691 20 0 ACADHN C=C=CCNC(=O)CN(C)C(C)C 820193696 583018089 /nfs/dbraw/zinc/01/80/89/583018089.db2.gz JEJMTKQCGGQBKL-UHFFFAOYSA-N 0 3 182.267 0.784 20 0 ACADHN C[C@H](NC1CC1)c1cnnn1C 820803367 583024725 /nfs/dbraw/zinc/02/47/25/583024725.db2.gz NKVMAOWRUMHXGJ-LURJTMIESA-N 0 3 166.228 0.628 20 0 ACADHN C[C@@H](CCO)N[C@@H](C)c1cnnn1C 820811425 583024733 /nfs/dbraw/zinc/02/47/33/583024733.db2.gz PZSUMZDQTJQEAS-YUMQZZPRSA-N 0 3 198.270 0.237 20 0 ACADHN C[C@@H](NCC(C)(C)O)c1cnnn1C 820810027 583024978 /nfs/dbraw/zinc/02/49/78/583024978.db2.gz NHECKHSZLDQPCW-SSDOTTSWSA-N 0 3 198.270 0.237 20 0 ACADHN COCCCN[C@H](C)c1cnnn1C 820805053 583025021 /nfs/dbraw/zinc/02/50/21/583025021.db2.gz DORLDWPGHPJIIY-MRVPVSSYSA-N 0 3 198.270 0.502 20 0 ACADHN C[C@@H](CCO)N[C@H](C)c1cnnn1C 820811423 583025212 /nfs/dbraw/zinc/02/52/12/583025212.db2.gz PZSUMZDQTJQEAS-JGVFFNPUSA-N 0 3 198.270 0.237 20 0 ACADHN COCCCN[C@@H](C)c1cnnn1C 820805054 583025222 /nfs/dbraw/zinc/02/52/22/583025222.db2.gz DORLDWPGHPJIIY-QMMMGPOBSA-N 0 3 198.270 0.502 20 0 ACADHN C[C@H](CCO)N[C@H](C)c1cnnn1C 820811422 583025282 /nfs/dbraw/zinc/02/52/82/583025282.db2.gz PZSUMZDQTJQEAS-HTQZYQBOSA-N 0 3 198.270 0.237 20 0 ACADHN C[C@H](NCC(C)(C)O)c1cnnn1C 820810028 583025296 /nfs/dbraw/zinc/02/52/96/583025296.db2.gz NHECKHSZLDQPCW-ZETCQYMHSA-N 0 3 198.270 0.237 20 0 ACADHN C[C@@H](NC1CC1)c1cnnn1C 820803368 583025301 /nfs/dbraw/zinc/02/53/01/583025301.db2.gz NKVMAOWRUMHXGJ-ZCFIWIBFSA-N 0 3 166.228 0.628 20 0 ACADHN C[C@H](N[C@H](C)CCO)c1cnnn1C 820811424 583025308 /nfs/dbraw/zinc/02/53/08/583025308.db2.gz PZSUMZDQTJQEAS-SFYZADRCSA-N 0 3 198.270 0.237 20 0 ACADHN CN(C)CCNC(=O)N[C@H]1C=CCC1 821074853 583026578 /nfs/dbraw/zinc/02/65/78/583026578.db2.gz NOEGXWNAWBIJOU-VIFPVBQESA-N 0 3 197.282 0.566 20 0 ACADHN CN(C)CCNC(=O)N[C@@H]1C=CCC1 821074852 583027286 /nfs/dbraw/zinc/02/72/86/583027286.db2.gz NOEGXWNAWBIJOU-SECBINFHSA-N 0 3 197.282 0.566 20 0 ACADHN CCCN1CCCN(C=O)CC1 821279972 583027963 /nfs/dbraw/zinc/02/79/63/583027963.db2.gz QKQDTVYINVFZMW-UHFFFAOYSA-N 0 3 170.256 0.561 20 0 ACADHN CO[C@H]1CC[C@H](N2CCOCC2)C1 821337135 583028006 /nfs/dbraw/zinc/02/80/06/583028006.db2.gz TVSZYFXZJMIBPA-UWVGGRQHSA-N 0 3 185.267 0.886 20 0 ACADHN CO[C@@H]1CC[C@H](N2CCOCC2)C1 821337137 583028010 /nfs/dbraw/zinc/02/80/10/583028010.db2.gz TVSZYFXZJMIBPA-VHSXEESVSA-N 0 3 185.267 0.886 20 0 ACADHN CO[C@@H]1CC[C@@H](N2CCOCC2)C1 821337134 583028036 /nfs/dbraw/zinc/02/80/36/583028036.db2.gz TVSZYFXZJMIBPA-NXEZZACHSA-N 0 3 185.267 0.886 20 0 ACADHN CO[C@H]1CC[C@@H](N2CCOCC2)C1 821337138 583028089 /nfs/dbraw/zinc/02/80/89/583028089.db2.gz TVSZYFXZJMIBPA-ZJUUUORDSA-N 0 3 185.267 0.886 20 0 ACADHN O=C1CC[C@H](CN2CCC[C@@H]2CO)O1 821369931 583028667 /nfs/dbraw/zinc/02/86/67/583028667.db2.gz YJCMOBMJCNZTHH-RKDXNWHRSA-N 0 3 199.250 0.149 20 0 ACADHN O=C1CC[C@@H](CN2CCC[C@H]2CO)O1 821369929 583028770 /nfs/dbraw/zinc/02/87/70/583028770.db2.gz YJCMOBMJCNZTHH-IUCAKERBSA-N 0 3 199.250 0.149 20 0 ACADHN O=C1CC[C@H](CN2CCC[C@H]2CO)O1 821369927 583028809 /nfs/dbraw/zinc/02/88/09/583028809.db2.gz YJCMOBMJCNZTHH-DTWKUNHWSA-N 0 3 199.250 0.149 20 0 ACADHN CCN(CCO)C[C@@H]1CCC(=O)O1 821367968 583028878 /nfs/dbraw/zinc/02/88/78/583028878.db2.gz IGEWSWLCBGUOKW-QMMMGPOBSA-N 0 3 187.239 0.006 20 0 ACADHN O=C1CC[C@@H](CN2CCC[C@@H](O)C2)O1 821349118 583028931 /nfs/dbraw/zinc/02/89/31/583028931.db2.gz UATZTRPDKKGHOM-BDAKNGLRSA-N 0 3 199.250 0.149 20 0 ACADHN O=C1CC[C@@H](CN(CCO)C2CC2)O1 821355310 583028992 /nfs/dbraw/zinc/02/89/92/583028992.db2.gz QRXCEURFYODUBB-VIFPVBQESA-N 0 3 199.250 0.149 20 0 ACADHN O=C1CC[C@H](CN2CCC[C@H](O)C2)O1 821349119 583029130 /nfs/dbraw/zinc/02/91/30/583029130.db2.gz UATZTRPDKKGHOM-DTWKUNHWSA-N 0 3 199.250 0.149 20 0 ACADHN O=C1CC[C@H](CN2CCC[C@@H](O)C2)O1 821349121 583029155 /nfs/dbraw/zinc/02/91/55/583029155.db2.gz UATZTRPDKKGHOM-RKDXNWHRSA-N 0 3 199.250 0.149 20 0 ACADHN O=C1CC[C@@H](CN2CCC[C@H](O)C2)O1 821349120 583029245 /nfs/dbraw/zinc/02/92/45/583029245.db2.gz UATZTRPDKKGHOM-IUCAKERBSA-N 0 3 199.250 0.149 20 0 ACADHN O=C1CC[C@@H](CN2CCC[C@@H]2CO)O1 821369926 583029612 /nfs/dbraw/zinc/02/96/12/583029612.db2.gz YJCMOBMJCNZTHH-BDAKNGLRSA-N 0 3 199.250 0.149 20 0 ACADHN CCN(CCO)C[C@H]1CCC(=O)O1 821367967 583029618 /nfs/dbraw/zinc/02/96/18/583029618.db2.gz IGEWSWLCBGUOKW-MRVPVSSYSA-N 0 3 187.239 0.006 20 0 ACADHN O=C1CC[C@H](CN(CCO)C2CC2)O1 821355309 583029631 /nfs/dbraw/zinc/02/96/31/583029631.db2.gz QRXCEURFYODUBB-SECBINFHSA-N 0 3 199.250 0.149 20 0 ACADHN O=C(CN1CCCC1)N1CC=CCC1 821770635 583032233 /nfs/dbraw/zinc/03/22/33/583032233.db2.gz WZTLCLRLYSWBQK-UHFFFAOYSA-N 0 3 194.278 0.871 20 0 ACADHN CC[C@@H]1CN(C)CCN1CCF 823195237 583039717 /nfs/dbraw/zinc/03/97/17/583039717.db2.gz SKNAPCWUWPDDGD-SECBINFHSA-N 0 3 174.263 0.982 20 0 ACADHN CC[C@H]1CN(C)CCN1CCF 823195238 583039532 /nfs/dbraw/zinc/03/95/32/583039532.db2.gz SKNAPCWUWPDDGD-VIFPVBQESA-N 0 3 174.263 0.982 20 0 ACADHN CCC1CN(C(=O)CN2CCCC2)C1 823499128 583041130 /nfs/dbraw/zinc/04/11/30/583041130.db2.gz IPFSQWWMGSUEHA-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN Cc1cc(NC(=O)[C@@H]2C[C@@H]2N)n[nH]1 827202185 583053878 /nfs/dbraw/zinc/05/38/78/583053878.db2.gz YCQOZJRDGWOXPW-RITPCOANSA-N 0 3 180.211 0.004 20 0 ACADHN CC(C)CN(C)CC[S@@](C)=O 827516458 583054942 /nfs/dbraw/zinc/05/49/42/583054942.db2.gz XIDGDIBLVOGMII-LLVKDONJSA-N 0 3 177.313 0.953 20 0 ACADHN CC(C)CN(C)CC[S@](C)=O 827516459 583055130 /nfs/dbraw/zinc/05/51/30/583055130.db2.gz XIDGDIBLVOGMII-NSHDSACASA-N 0 3 177.313 0.953 20 0 ACADHN O=C(Nc1cc[nH]n1)[C@]1(F)CCNC1 827650943 583055325 /nfs/dbraw/zinc/05/53/25/583055325.db2.gz VIBJKWJYCMUOQH-QMMMGPOBSA-N 0 3 198.201 0.050 20 0 ACADHN O=C(Nc1cc[nH]n1)[C@@]1(F)CCNC1 827650939 583055511 /nfs/dbraw/zinc/05/55/11/583055511.db2.gz VIBJKWJYCMUOQH-MRVPVSSYSA-N 0 3 198.201 0.050 20 0 ACADHN CCCONC(=O)NCCN(C)C 828301774 583057773 /nfs/dbraw/zinc/05/77/73/583057773.db2.gz OLPVBAOCRMTQJG-UHFFFAOYSA-N 0 3 189.259 0.189 20 0 ACADHN CCN(CC[S@](C)=O)[C@H](C)CO 828566803 583059811 /nfs/dbraw/zinc/05/98/11/583059811.db2.gz UMQUQSQIEGSDRR-PELKAZGASA-N 0 3 193.312 0.068 20 0 ACADHN CCN(CC[S@@](C)=O)[C@H](C)CO 828566804 583059829 /nfs/dbraw/zinc/05/98/29/583059829.db2.gz UMQUQSQIEGSDRR-PRHODGIISA-N 0 3 193.312 0.068 20 0 ACADHN CCN(CC[S@@](C)=O)[C@@H](C)CO 828581823 583060168 /nfs/dbraw/zinc/06/01/68/583060168.db2.gz UMQUQSQIEGSDRR-QPUJVOFHSA-N 0 3 193.312 0.068 20 0 ACADHN CCN(CC[S@](C)=O)[C@@H](C)CO 828581825 583060382 /nfs/dbraw/zinc/06/03/82/583060382.db2.gz UMQUQSQIEGSDRR-UFBFGSQYSA-N 0 3 193.312 0.068 20 0 ACADHN CN(C)CCNC(=O)OC1CCC1 829628225 583063654 /nfs/dbraw/zinc/06/36/54/583063654.db2.gz PWFZSALKFJARLN-UHFFFAOYSA-N 0 3 186.255 0.827 20 0 ACADHN CN1CC[C@H](NC(=O)OC2CCC2)C1 830160580 583065750 /nfs/dbraw/zinc/06/57/50/583065750.db2.gz DRLIFHLBPPRVEC-QMMMGPOBSA-N 0 3 198.266 0.969 20 0 ACADHN CN1CC[C@@H](NC(=O)OC2CCC2)C1 830160579 583066464 /nfs/dbraw/zinc/06/64/64/583066464.db2.gz DRLIFHLBPPRVEC-MRVPVSSYSA-N 0 3 198.266 0.969 20 0 ACADHN CCN1CC[C@H](OC(=O)N(C)C)C1 830497960 583067793 /nfs/dbraw/zinc/06/77/93/583067793.db2.gz CVICASPHCGWGCO-QMMMGPOBSA-N 0 3 186.255 0.779 20 0 ACADHN CCN1CC[C@@H](OC(=O)N(C)C)C1 830497959 583067847 /nfs/dbraw/zinc/06/78/47/583067847.db2.gz CVICASPHCGWGCO-MRVPVSSYSA-N 0 3 186.255 0.779 20 0 ACADHN Cc1nsc(NC(=O)[C@@H]2C[C@@H]2N)n1 830689733 583069399 /nfs/dbraw/zinc/06/93/99/583069399.db2.gz YATTXVMKUQVCGA-UHNVWZDZSA-N 0 3 198.251 0.132 20 0 ACADHN CCCN1CC[C@@H]2COC(=O)N[C@H]2C1 830954398 583071252 /nfs/dbraw/zinc/07/12/52/583071252.db2.gz JFGTWBLGLOLHQV-BDAKNGLRSA-N 0 3 198.266 0.827 20 0 ACADHN CC(C)N1CC[C@@H]2COC(=O)N[C@H]2C1 830954406 583071634 /nfs/dbraw/zinc/07/16/34/583071634.db2.gz JXJZVAZPVGCKCU-BDAKNGLRSA-N 0 3 198.266 0.825 20 0 ACADHN C[C@@H]1[C@H](O)CCN1CCC(=O)C1CC1 832220247 583077193 /nfs/dbraw/zinc/07/71/93/583077193.db2.gz PWJQPSKADWMPDV-PSASIEDQSA-N 0 3 197.278 0.811 20 0 ACADHN CCC(=O)CCN1CC[C@@H](O)[C@H]1C 832225022 583077240 /nfs/dbraw/zinc/07/72/40/583077240.db2.gz IYMZAVQRIDPFLH-PSASIEDQSA-N 0 3 185.267 0.811 20 0 ACADHN CCN(CC)CC(=O)N1CC2(CC2)C1 833323096 583081309 /nfs/dbraw/zinc/08/13/09/583081309.db2.gz XXWSZXJXRGHRAE-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN CCCN(C)CC(=O)N1CC2(CC2)C1 833322685 583081843 /nfs/dbraw/zinc/08/18/43/583081843.db2.gz KJKIRDKDCOZQPR-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN C/C=C/C=C\C(=O)NOCCN(C)C 833859894 583083840 /nfs/dbraw/zinc/08/38/40/583083840.db2.gz VVIRTNKKQLUZKX-DEQVHDEQSA-N 0 3 198.266 0.728 20 0 ACADHN C/C=C/C=C/C(=O)NOCCN(C)C 833859896 583083861 /nfs/dbraw/zinc/08/38/61/583083861.db2.gz VVIRTNKKQLUZKX-YTXTXJHMSA-N 0 3 198.266 0.728 20 0 ACADHN C[C@H](C[NH3+])[N-]C(=O)C(C)(Cl)Cl 834521446 583086627 /nfs/dbraw/zinc/08/66/27/583086627.db2.gz JCVHDTBKSYUWMO-SCSAIBSYSA-N 0 3 199.081 0.644 20 0 ACADHN COC(=O)NCCN1CCC[C@H]1C 867148319 583101016 /nfs/dbraw/zinc/10/10/16/583101016.db2.gz QBAUEZJSYWJWOA-MRVPVSSYSA-N 0 3 186.255 0.827 20 0 ACADHN COC(=O)NCCN1CCC[C@@H]1C 867148324 583101035 /nfs/dbraw/zinc/10/10/35/583101035.db2.gz QBAUEZJSYWJWOA-QMMMGPOBSA-N 0 3 186.255 0.827 20 0 ACADHN CNC(=S)N1C[C@@H]2CCN(C)[C@@H]2C1 840800476 583111342 /nfs/dbraw/zinc/11/13/42/583111342.db2.gz SJSQDXBTHYNJHW-JGVFFNPUSA-N 0 3 199.323 0.127 20 0 ACADHN CN(C)CCNC(=O)OCCCF 841473638 583114224 /nfs/dbraw/zinc/11/42/24/583114224.db2.gz DKLHLZBPIYTZRX-UHFFFAOYSA-N 0 3 192.234 0.634 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1 842515561 583123842 /nfs/dbraw/zinc/12/38/42/583123842.db2.gz SUPNZDNRXRCFKQ-GRDBIXFFSA-N 0 3 194.278 0.638 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 842515560 583124379 /nfs/dbraw/zinc/12/43/79/583124379.db2.gz SUPNZDNRXRCFKQ-GENCIFFESA-N 0 3 194.278 0.638 20 0 ACADHN CN(C)CCSCC[S@@](C)=O 842567444 583127942 /nfs/dbraw/zinc/12/79/42/583127942.db2.gz YFCXUPRWVQXXKK-LLVKDONJSA-N 0 3 195.353 0.660 20 0 ACADHN CN(C)CCSCC[S@](C)=O 842567456 583128161 /nfs/dbraw/zinc/12/81/61/583128161.db2.gz YFCXUPRWVQXXKK-NSHDSACASA-N 0 3 195.353 0.660 20 0 ACADHN CCCN(C)C(=O)N1CCCNCC1 842682728 583128978 /nfs/dbraw/zinc/12/89/78/583128978.db2.gz KLZBOINLJWAPEJ-UHFFFAOYSA-N 0 3 199.298 0.744 20 0 ACADHN CCc1cc(NC(=O)[C@H](C)N)nn1C 843502075 583132761 /nfs/dbraw/zinc/13/27/61/583132761.db2.gz XJZZSGAGACOSLX-LURJTMIESA-N 0 3 196.254 0.268 20 0 ACADHN CCNCC(=O)N[C@@H]1C[C@H]1C1CCC1 843504779 583133059 /nfs/dbraw/zinc/13/30/59/583133059.db2.gz HIBPYDDYCFTOQT-VHSXEESVSA-N 0 3 196.294 0.901 20 0 ACADHN CCc1cc(NC(=O)CNC)nn1C 843502336 583133246 /nfs/dbraw/zinc/13/32/46/583133246.db2.gz ZHRYFAUPONCGFD-UHFFFAOYSA-N 0 3 196.254 0.140 20 0 ACADHN CCc1cc(NC(=O)[C@@H](C)N)nn1C 843502076 583133410 /nfs/dbraw/zinc/13/34/10/583133410.db2.gz XJZZSGAGACOSLX-ZCFIWIBFSA-N 0 3 196.254 0.268 20 0 ACADHN C[C@@H](CCO)N(C)CC[S@](C)=O 844449585 583141283 /nfs/dbraw/zinc/14/12/83/583141283.db2.gz LPZLBAMSFQXUDW-UFBFGSQYSA-N 0 3 193.312 0.068 20 0 ACADHN C[C@@H](CCO)N(C)CC[S@@](C)=O 844449583 583141390 /nfs/dbraw/zinc/14/13/90/583141390.db2.gz LPZLBAMSFQXUDW-QPUJVOFHSA-N 0 3 193.312 0.068 20 0 ACADHN C[C@H](CCO)N(C)CC[S@@](C)=O 844449582 583141513 /nfs/dbraw/zinc/14/15/13/583141513.db2.gz LPZLBAMSFQXUDW-PRHODGIISA-N 0 3 193.312 0.068 20 0 ACADHN COC(CN(C)[C@H](C)CCO)OC 844451728 583141574 /nfs/dbraw/zinc/14/15/74/583141574.db2.gz UBSNSBVMKFVCTL-MRVPVSSYSA-N 0 3 191.271 0.308 20 0 ACADHN COCCN1C[C@@H]2[C@H](C1)C2(F)F 844450742 583141785 /nfs/dbraw/zinc/14/17/85/583141785.db2.gz IMVKNYLCXGIWBU-KNVOCYPGSA-N 0 3 177.194 0.830 20 0 ACADHN COC(CN(C)[C@@H](C)CCO)OC 844451729 583141938 /nfs/dbraw/zinc/14/19/38/583141938.db2.gz UBSNSBVMKFVCTL-QMMMGPOBSA-N 0 3 191.271 0.308 20 0 ACADHN C[C@H](CCO)N(C)CC[S@](C)=O 844449575 583142069 /nfs/dbraw/zinc/14/20/69/583142069.db2.gz LPZLBAMSFQXUDW-PELKAZGASA-N 0 3 193.312 0.068 20 0 ACADHN C[C@H](CCO)N(C)CCF 844450053 583142075 /nfs/dbraw/zinc/14/20/75/583142075.db2.gz NXFNZGHXVGWOJD-SSDOTTSWSA-N 0 3 149.209 0.659 20 0 ACADHN C[C@@H](CCO)N(C)CCF 844450064 583142150 /nfs/dbraw/zinc/14/21/50/583142150.db2.gz NXFNZGHXVGWOJD-ZETCQYMHSA-N 0 3 149.209 0.659 20 0 ACADHN FC1(F)[C@@H]2CN([C@H]3CCOC3)C[C@@H]21 844457530 583142441 /nfs/dbraw/zinc/14/24/41/583142441.db2.gz LDEGUFOMMALNOT-BIIVOSGPSA-N 0 3 189.205 0.972 20 0 ACADHN FC1(F)[C@@H]2CN([C@@H]3CCOC3)C[C@@H]21 844457532 583142803 /nfs/dbraw/zinc/14/28/03/583142803.db2.gz LDEGUFOMMALNOT-PRJMDXOYSA-N 0 3 189.205 0.972 20 0 ACADHN C[C@@H](NC1CC1)C(=O)N1CCCCN1 846685055 583159032 /nfs/dbraw/zinc/15/90/32/583159032.db2.gz YQBIOYCQMLRZPX-MRVPVSSYSA-N 0 3 197.282 0.254 20 0 ACADHN C[C@H](NC1CC1)C(=O)N1CCCCN1 846685056 583159113 /nfs/dbraw/zinc/15/91/13/583159113.db2.gz YQBIOYCQMLRZPX-QMMMGPOBSA-N 0 3 197.282 0.254 20 0 ACADHN CN1CCN(CCF)CC1(C)C 846889468 583160853 /nfs/dbraw/zinc/16/08/53/583160853.db2.gz NWFFZQYWRNZPFP-UHFFFAOYSA-N 0 3 174.263 0.982 20 0 ACADHN C=C=CCNC(=O)Cc1nc[nH]c1C 848113924 583165880 /nfs/dbraw/zinc/16/58/80/583165880.db2.gz CJWUELYMXFOLSM-UHFFFAOYSA-N 0 3 191.234 0.718 20 0 ACADHN C=C=CCNC(=O)[C@@H]1CCCN1C 848116712 583166568 /nfs/dbraw/zinc/16/65/68/583166568.db2.gz WGRUKMNCIHEPDG-VIFPVBQESA-N 0 3 180.251 0.538 20 0 ACADHN C=C=CCNC(=O)[C@H]1CCCN1C 848116711 583166621 /nfs/dbraw/zinc/16/66/21/583166621.db2.gz WGRUKMNCIHEPDG-SECBINFHSA-N 0 3 180.251 0.538 20 0 ACADHN C=C=CCNC(=O)[C@H](CC)N(C)C 848115915 583166742 /nfs/dbraw/zinc/16/67/42/583166742.db2.gz WKVDLKGQICVZMG-VIFPVBQESA-N 0 3 182.267 0.784 20 0 ACADHN C=C=CCNC(=O)[C@@H](CC)N(C)C 848115914 583166882 /nfs/dbraw/zinc/16/68/82/583166882.db2.gz WKVDLKGQICVZMG-SECBINFHSA-N 0 3 182.267 0.784 20 0 ACADHN C=C=CCNC(=O)CN(C)CCC 848116713 583166900 /nfs/dbraw/zinc/16/69/00/583166900.db2.gz WHBCQMVMZJGCDE-UHFFFAOYSA-N 0 3 182.267 0.786 20 0 ACADHN C=C=CCNC(=O)C1CCN(C)CC1 848116457 583166993 /nfs/dbraw/zinc/16/69/93/583166993.db2.gz MZGXYBPXUXTZDN-UHFFFAOYSA-N 0 3 194.278 0.786 20 0 ACADHN CO[N-]C(=O)[C@H]1C[C@]12CCC[NH2+]C2 848406113 583168245 /nfs/dbraw/zinc/16/82/45/583168245.db2.gz BDCKLXCGIYQRLA-APPZFPTMSA-N 0 3 184.239 0.054 20 0 ACADHN CO[N-]C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 848406115 583168397 /nfs/dbraw/zinc/16/83/97/583168397.db2.gz BDCKLXCGIYQRLA-IONNQARKSA-N 0 3 184.239 0.054 20 0 ACADHN CO[N-]C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 848406116 583168426 /nfs/dbraw/zinc/16/84/26/583168426.db2.gz BDCKLXCGIYQRLA-VXNVDRBHSA-N 0 3 184.239 0.054 20 0 ACADHN CCO[N-]C(=O)[C@H]1C[C@]12CCC[NH2+]C2 848406809 583168448 /nfs/dbraw/zinc/16/84/48/583168448.db2.gz JQYUCWWPHVHFST-SCZZXKLOSA-N 0 3 198.266 0.444 20 0 ACADHN CCO[N-]C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 848406810 583168467 /nfs/dbraw/zinc/16/84/67/583168467.db2.gz JQYUCWWPHVHFST-WCBMZHEXSA-N 0 3 198.266 0.444 20 0 ACADHN CCO[N-]C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 848406811 583168578 /nfs/dbraw/zinc/16/85/78/583168578.db2.gz JQYUCWWPHVHFST-WPRPVWTQSA-N 0 3 198.266 0.444 20 0 ACADHN CO[N-]C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 848406114 583168668 /nfs/dbraw/zinc/16/86/68/583168668.db2.gz BDCKLXCGIYQRLA-CBAPKCEASA-N 0 3 184.239 0.054 20 0 ACADHN CCO[N-]C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 848406808 583168678 /nfs/dbraw/zinc/16/86/78/583168678.db2.gz JQYUCWWPHVHFST-PSASIEDQSA-N 0 3 198.266 0.444 20 0 ACADHN C=CC(=O)NCCN1CC=C(C)CC1 848979136 583170977 /nfs/dbraw/zinc/17/09/77/583170977.db2.gz FUPUCQAEDRIXEF-UHFFFAOYSA-N 0 3 194.278 0.941 20 0 ACADHN CNC(=[NH2+])NCc1ccc([O-])c(F)c1 849082231 583178796 /nfs/dbraw/zinc/17/87/96/583178796.db2.gz NJZFOLUAMIICLX-UHFFFAOYSA-N 0 3 197.213 0.775 20 0 ACADHN NC(=[NH2+])NCc1ccc([O-])c(F)c1 849082040 583179258 /nfs/dbraw/zinc/17/92/58/583179258.db2.gz LISQJTLSCZMMIJ-UHFFFAOYSA-N 0 3 183.186 0.514 20 0 ACADHN CC[C@@H](O)CNCc1n[nH]cc1C 850373254 583185352 /nfs/dbraw/zinc/18/53/52/583185352.db2.gz FTDDUPVKYYLGGD-MRVPVSSYSA-N 0 3 183.255 0.579 20 0 ACADHN O[C@H]1C[C@H](NCc2ccc(F)nc2)C1 850417490 583185687 /nfs/dbraw/zinc/18/56/87/583185687.db2.gz ADRGWQBBBRBFDO-KYZUINATSA-N 0 3 196.225 0.834 20 0 ACADHN Cc1cc(CN[C@H]2C[C@H](O)C2)n(C)n1 850417743 583185767 /nfs/dbraw/zinc/18/57/67/583185767.db2.gz KDUXWIKOOJNWCZ-CZMCAQCFSA-N 0 3 195.266 0.341 20 0 ACADHN CO[C@H]1CC[C@H](N2CCN(C)CC2)C1 851721618 583188979 /nfs/dbraw/zinc/18/89/79/583188979.db2.gz NZHMRESAAMSJES-QWRGUYRKSA-N 0 3 198.310 0.801 20 0 ACADHN CO[C@@H]1CC[C@H](N2CCN(C)CC2)C1 851721619 583189114 /nfs/dbraw/zinc/18/91/14/583189114.db2.gz NZHMRESAAMSJES-WDEREUQCSA-N 0 3 198.310 0.801 20 0 ACADHN CO[C@H]1CC[C@@H](N2CCN(C)CC2)C1 851721617 583189455 /nfs/dbraw/zinc/18/94/55/583189455.db2.gz NZHMRESAAMSJES-MNOVXSKESA-N 0 3 198.310 0.801 20 0 ACADHN CO[C@@H]1CC[C@@H](N2CCN(C)CC2)C1 851721616 583189975 /nfs/dbraw/zinc/18/99/75/583189975.db2.gz NZHMRESAAMSJES-GHMZBOCLSA-N 0 3 198.310 0.801 20 0 ACADHN CN1CCCN(Cc2cnon2)CC1 851720631 583190259 /nfs/dbraw/zinc/19/02/59/583190259.db2.gz PDEYDEACZDXRON-UHFFFAOYSA-N 0 3 196.254 0.207 20 0 ACADHN COCCN(C)C[C@H]1CCC(=O)O1 851733243 583191337 /nfs/dbraw/zinc/19/13/37/583191337.db2.gz OUHILHGHRXBNHA-MRVPVSSYSA-N 0 3 187.239 0.270 20 0 ACADHN O=C1CC[C@@H](CN2CCCOCC2)O1 851740536 583191372 /nfs/dbraw/zinc/19/13/72/583191372.db2.gz ZAHSRLLNKKJPOF-VIFPVBQESA-N 0 3 199.250 0.414 20 0 ACADHN O=C1CC[C@H](CN2CCCOCC2)O1 851740535 583191643 /nfs/dbraw/zinc/19/16/43/583191643.db2.gz ZAHSRLLNKKJPOF-SECBINFHSA-N 0 3 199.250 0.414 20 0 ACADHN COCCN(C)C[C@@H]1CCC(=O)O1 851733244 583191946 /nfs/dbraw/zinc/19/19/46/583191946.db2.gz OUHILHGHRXBNHA-QMMMGPOBSA-N 0 3 187.239 0.270 20 0 ACADHN C[C@H](O)CN(C)C[C@@H]1CCC(=O)O1 851783270 583192521 /nfs/dbraw/zinc/19/25/21/583192521.db2.gz LGRDQSMCIUVVHJ-YUMQZZPRSA-N 0 3 187.239 0.005 20 0 ACADHN O=C1CN(CCC2CCC2)CCCN1 851749045 583192769 /nfs/dbraw/zinc/19/27/69/583192769.db2.gz ZYTCEVACKFLTQB-UHFFFAOYSA-N 0 3 196.294 0.999 20 0 ACADHN C[C@H](O)CN(C)C[C@H]1CCC(=O)O1 851783268 583192788 /nfs/dbraw/zinc/19/27/88/583192788.db2.gz LGRDQSMCIUVVHJ-JGVFFNPUSA-N 0 3 187.239 0.005 20 0 ACADHN CN(C[C@H]1CCC(=O)O1)[C@H]1CCOC1 851762173 583192846 /nfs/dbraw/zinc/19/28/46/583192846.db2.gz LEPWZXKBARAPHB-DTWKUNHWSA-N 0 3 199.250 0.413 20 0 ACADHN CN(C[C@@H]1CCC(=O)O1)[C@H]1CCOC1 851762174 583193039 /nfs/dbraw/zinc/19/30/39/583193039.db2.gz LEPWZXKBARAPHB-IUCAKERBSA-N 0 3 199.250 0.413 20 0 ACADHN O=C1CN(CC2CC=CC2)CCCN1 851748903 583193394 /nfs/dbraw/zinc/19/33/94/583193394.db2.gz XSMOARQESDCTHN-UHFFFAOYSA-N 0 3 194.278 0.775 20 0 ACADHN CN(C[C@@H]1CCC(=O)O1)[C@@H]1CCOC1 851762172 583193428 /nfs/dbraw/zinc/19/34/28/583193428.db2.gz LEPWZXKBARAPHB-BDAKNGLRSA-N 0 3 199.250 0.413 20 0 ACADHN C[C@@H](O)CN(C)C[C@@H]1CCC(=O)O1 851783269 583193450 /nfs/dbraw/zinc/19/34/50/583193450.db2.gz LGRDQSMCIUVVHJ-SFYZADRCSA-N 0 3 187.239 0.005 20 0 ACADHN CN(C[C@H]1CCC(=O)O1)[C@@H]1CCOC1 851762175 583193456 /nfs/dbraw/zinc/19/34/56/583193456.db2.gz LEPWZXKBARAPHB-RKDXNWHRSA-N 0 3 199.250 0.413 20 0 ACADHN CO[C@H]1CCN(C[C@@H]2CCC(=O)O2)C1 851800328 583193967 /nfs/dbraw/zinc/19/39/67/583193967.db2.gz ZJSAMFRFCWLLMB-IUCAKERBSA-N 0 3 199.250 0.413 20 0 ACADHN C[C@]1(O)CCN(C[C@@H]2CCC(=O)O2)C1 851800527 583194059 /nfs/dbraw/zinc/19/40/59/583194059.db2.gz KSENOHKIWPCHLF-WPRPVWTQSA-N 0 3 199.250 0.149 20 0 ACADHN C[C@@H](O)CN(C)C[C@H]1CCC(=O)O1 851783167 583194247 /nfs/dbraw/zinc/19/42/47/583194247.db2.gz LGRDQSMCIUVVHJ-HTQZYQBOSA-N 0 3 187.239 0.005 20 0 ACADHN CO[C@@H]1CCN(CCc2cn[nH]n2)C1 851800550 583195792 /nfs/dbraw/zinc/19/57/92/583195792.db2.gz KZJTWYXDOKJSDQ-SECBINFHSA-N 0 3 196.254 0.068 20 0 ACADHN C[C@@]1(O)CCN(C[C@H]2CCC(=O)O2)C1 851800521 583195820 /nfs/dbraw/zinc/19/58/20/583195820.db2.gz KSENOHKIWPCHLF-PSASIEDQSA-N 0 3 199.250 0.149 20 0 ACADHN C[C@]1(O)CCN(C[C@H]2CCC(=O)O2)C1 851800523 583196060 /nfs/dbraw/zinc/19/60/60/583196060.db2.gz KSENOHKIWPCHLF-SCZZXKLOSA-N 0 3 199.250 0.149 20 0 ACADHN CO[C@@H]1CCN(C[C@H]2CCC(=O)O2)C1 851801054 583196075 /nfs/dbraw/zinc/19/60/75/583196075.db2.gz ZJSAMFRFCWLLMB-RKDXNWHRSA-N 0 3 199.250 0.413 20 0 ACADHN C[C@@]1(O)CCN(C[C@@H]2CCC(=O)O2)C1 851800525 583196136 /nfs/dbraw/zinc/19/61/36/583196136.db2.gz KSENOHKIWPCHLF-WCBMZHEXSA-N 0 3 199.250 0.149 20 0 ACADHN CO[C@@H]1CCN(C[C@@H]2CCC(=O)O2)C1 851801053 583196235 /nfs/dbraw/zinc/19/62/35/583196235.db2.gz ZJSAMFRFCWLLMB-BDAKNGLRSA-N 0 3 199.250 0.413 20 0 ACADHN CO[C@H]1CCN(C[C@H]2CCC(=O)O2)C1 851800327 583196678 /nfs/dbraw/zinc/19/66/78/583196678.db2.gz ZJSAMFRFCWLLMB-DTWKUNHWSA-N 0 3 199.250 0.413 20 0 ACADHN O=C1CC[C@H](CN2CC=CCC2)O1 851910274 583198840 /nfs/dbraw/zinc/19/88/40/583198840.db2.gz NPKQCJDVKPTEPN-SECBINFHSA-N 0 3 181.235 0.954 20 0 ACADHN C[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@H]1O 851887988 583198881 /nfs/dbraw/zinc/19/88/81/583198881.db2.gz YXJRDNZFJMAFSB-HRDYMLBCSA-N 0 3 199.250 0.005 20 0 ACADHN C[C@@H]1C[C@@H](O)CN1C[C@@H]1CCC(=O)O1 851882062 583198884 /nfs/dbraw/zinc/19/88/84/583198884.db2.gz SMQFGRLWIUCPNY-HLTSFMKQSA-N 0 3 199.250 0.147 20 0 ACADHN C[C@@H]1C[C@H](O)CN1C[C@H]1CCC(=O)O1 851882067 583198908 /nfs/dbraw/zinc/19/89/08/583198908.db2.gz SMQFGRLWIUCPNY-HRDYMLBCSA-N 0 3 199.250 0.147 20 0 ACADHN C[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@@H]1O 851887987 583198913 /nfs/dbraw/zinc/19/89/13/583198913.db2.gz YXJRDNZFJMAFSB-HLTSFMKQSA-N 0 3 199.250 0.005 20 0 ACADHN C[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@H]1O 851887989 583198941 /nfs/dbraw/zinc/19/89/41/583198941.db2.gz YXJRDNZFJMAFSB-IWSPIJDZSA-N 0 3 199.250 0.005 20 0 ACADHN O=C1CC[C@@H](CN2CC=CCC2)O1 851910276 583199169 /nfs/dbraw/zinc/19/91/69/583199169.db2.gz NPKQCJDVKPTEPN-VIFPVBQESA-N 0 3 181.235 0.954 20 0 ACADHN C[C@@H]1C[C@@H](O)CN1C[C@H]1CCC(=O)O1 851882118 583199352 /nfs/dbraw/zinc/19/93/52/583199352.db2.gz SMQFGRLWIUCPNY-IWSPIJDZSA-N 0 3 199.250 0.147 20 0 ACADHN C[C@@H]1C[C@H](O)CN1C[C@@H]1CCC(=O)O1 851882119 583199377 /nfs/dbraw/zinc/19/93/77/583199377.db2.gz SMQFGRLWIUCPNY-VGMNWLOBSA-N 0 3 199.250 0.147 20 0 ACADHN C[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@@H]1O 851887990 583199414 /nfs/dbraw/zinc/19/94/14/583199414.db2.gz YXJRDNZFJMAFSB-VGMNWLOBSA-N 0 3 199.250 0.005 20 0 ACADHN CN(C[C@H]1CCC(=O)O1)C1CC(O)C1 851934199 583199742 /nfs/dbraw/zinc/19/97/42/583199742.db2.gz GFCFPBAXGVRAGV-AMDVSUOASA-N 0 3 199.250 0.147 20 0 ACADHN CN(C[C@@H]1CCC(=O)O1)C1CC(O)C1 851934200 583200494 /nfs/dbraw/zinc/20/04/94/583200494.db2.gz GFCFPBAXGVRAGV-HACHORDNSA-N 0 3 199.250 0.147 20 0 ACADHN C[C@H](CO)N(C)C[C@H]1CCC(=O)O1 852024400 583201961 /nfs/dbraw/zinc/20/19/61/583201961.db2.gz VZYUKYJVEVMIOU-HTQZYQBOSA-N 0 3 187.239 0.005 20 0 ACADHN CN(CCCO)C[C@@H]1CCC(=O)O1 852012449 583202728 /nfs/dbraw/zinc/20/27/28/583202728.db2.gz JSLRSURKFPMFCR-QMMMGPOBSA-N 0 3 187.239 0.006 20 0 ACADHN C[C@H](CO)N(C)C[C@@H]1CCC(=O)O1 852024402 583202877 /nfs/dbraw/zinc/20/28/77/583202877.db2.gz VZYUKYJVEVMIOU-SFYZADRCSA-N 0 3 187.239 0.005 20 0 ACADHN CN(CCCO)C[C@H]1CCC(=O)O1 852012445 583202952 /nfs/dbraw/zinc/20/29/52/583202952.db2.gz JSLRSURKFPMFCR-MRVPVSSYSA-N 0 3 187.239 0.006 20 0 ACADHN CO[C@@H](C)CN(C)CCc1cn[nH]n1 852045415 583203527 /nfs/dbraw/zinc/20/35/27/583203527.db2.gz MAKBWJJCACLREL-QMMMGPOBSA-N 0 3 198.270 0.314 20 0 ACADHN CO[C@H](C)CN(C)CCc1cn[nH]n1 852045414 583203564 /nfs/dbraw/zinc/20/35/64/583203564.db2.gz MAKBWJJCACLREL-MRVPVSSYSA-N 0 3 198.270 0.314 20 0 ACADHN CN(C[C@@H]1CCC(=O)O1)C1(CO)CC1 852045707 583204106 /nfs/dbraw/zinc/20/41/06/583204106.db2.gz ZNKQJTAJOAHWGQ-QMMMGPOBSA-N 0 3 199.250 0.149 20 0 ACADHN CN(C[C@H]1CCC(=O)O1)C1(CO)CC1 852045705 583204398 /nfs/dbraw/zinc/20/43/98/583204398.db2.gz ZNKQJTAJOAHWGQ-MRVPVSSYSA-N 0 3 199.250 0.149 20 0 ACADHN CCN1CC[C@@H](N2CCOC2=O)C1 852431613 583206963 /nfs/dbraw/zinc/20/69/63/583206963.db2.gz DQPFXTKIYMBFID-MRVPVSSYSA-N 0 3 184.239 0.533 20 0 ACADHN CCCN1CC[C@H](N2CCOC2=O)C1 852433579 583207133 /nfs/dbraw/zinc/20/71/33/583207133.db2.gz VVRIHFKRLMHZFQ-VIFPVBQESA-N 0 3 198.266 0.923 20 0 ACADHN CC(C)N1CC[C@H](N2CCOC2=O)C1 852433156 583207148 /nfs/dbraw/zinc/20/71/48/583207148.db2.gz SXHJMBSMLRMBHN-VIFPVBQESA-N 0 3 198.266 0.921 20 0 ACADHN CCCN1CC[C@@H](N2CCOC2=O)C1 852433578 583207306 /nfs/dbraw/zinc/20/73/06/583207306.db2.gz VVRIHFKRLMHZFQ-SECBINFHSA-N 0 3 198.266 0.923 20 0 ACADHN CC(C)N1CC[C@@H](N2CCOC2=O)C1 852433155 583207472 /nfs/dbraw/zinc/20/74/72/583207472.db2.gz SXHJMBSMLRMBHN-SECBINFHSA-N 0 3 198.266 0.921 20 0 ACADHN CCN1CC[C@H](N2CCOC2=O)C1 852431614 583207786 /nfs/dbraw/zinc/20/77/86/583207786.db2.gz DQPFXTKIYMBFID-QMMMGPOBSA-N 0 3 184.239 0.533 20 0 ACADHN Cn1ncc(CN2CC[C@@H]3C[C@@H]3C2)n1 852633972 583208314 /nfs/dbraw/zinc/20/83/14/583208314.db2.gz JSHWIFYOFOJZSV-RKDXNWHRSA-N 0 3 192.266 0.657 20 0 ACADHN C[S@](=O)CCN1CC[C@@H]2C[C@@H]2C1 852634471 583208318 /nfs/dbraw/zinc/20/83/18/583208318.db2.gz NOCJDXLZEFCTKO-LNLATYFQSA-N 0 3 187.308 0.707 20 0 ACADHN Cn1ncc(CN2CC[C@H]3C[C@H]3C2)n1 852633940 583208697 /nfs/dbraw/zinc/20/86/97/583208697.db2.gz JSHWIFYOFOJZSV-IUCAKERBSA-N 0 3 192.266 0.657 20 0 ACADHN C[S@](=O)CCN1CC[C@H]2C[C@H]2C1 852634470 583208931 /nfs/dbraw/zinc/20/89/31/583208931.db2.gz NOCJDXLZEFCTKO-AUTRQRHGSA-N 0 3 187.308 0.707 20 0 ACADHN C1COC(CN2CC[C@H]3C[C@H]3C2)O1 852635463 583209982 /nfs/dbraw/zinc/20/99/82/583209982.db2.gz NCKUKVJWNNYSLG-IUCAKERBSA-N 0 3 183.251 0.701 20 0 ACADHN C1COC(CN2CC[C@@H]3C[C@@H]3C2)O1 852635464 583210193 /nfs/dbraw/zinc/21/01/93/583210193.db2.gz NCKUKVJWNNYSLG-RKDXNWHRSA-N 0 3 183.251 0.701 20 0 ACADHN CCN1CCC(N2CCOC2=O)CC1 852723475 583211113 /nfs/dbraw/zinc/21/11/13/583211113.db2.gz YDQAIPNSNKHUCW-UHFFFAOYSA-N 0 3 198.266 0.923 20 0 ACADHN CC[C@@H](NC)C(=O)N(C)c1cn[nH]c1 852872693 583213221 /nfs/dbraw/zinc/21/32/21/583213221.db2.gz PYGOAFQFFYDUHV-MRVPVSSYSA-N 0 3 196.254 0.371 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)N1CC[C@H]2C[C@H]2C1 852864424 583213618 /nfs/dbraw/zinc/21/36/18/583213618.db2.gz VFPZHAGPMKLQPO-XSPKLOCKSA-N 0 3 180.251 0.202 20 0 ACADHN O=C(N[C@@H]1C=CCC1)[C@@]1(F)CCNC1 852847660 583213632 /nfs/dbraw/zinc/21/36/32/583213632.db2.gz RRZUEUJMYFLIKN-PSASIEDQSA-N 0 3 198.241 0.523 20 0 ACADHN O=C(N[C@@H]1C=CCC1)[C@]1(F)CCNC1 852847661 583213635 /nfs/dbraw/zinc/21/36/35/583213635.db2.gz RRZUEUJMYFLIKN-SCZZXKLOSA-N 0 3 198.241 0.523 20 0 ACADHN O=C(N[C@H]1C=CCC1)[C@]1(F)CCNC1 852847663 583213654 /nfs/dbraw/zinc/21/36/54/583213654.db2.gz RRZUEUJMYFLIKN-WPRPVWTQSA-N 0 3 198.241 0.523 20 0 ACADHN CC[C@H](NC)C(=O)N(C)c1cn[nH]c1 852872702 583213790 /nfs/dbraw/zinc/21/37/90/583213790.db2.gz PYGOAFQFFYDUHV-QMMMGPOBSA-N 0 3 196.254 0.371 20 0 ACADHN CC(C)NCC(=O)N(C)c1cn[nH]c1 852872823 583214008 /nfs/dbraw/zinc/21/40/08/583214008.db2.gz RUGFIXUCLYPUMG-UHFFFAOYSA-N 0 3 196.254 0.371 20 0 ACADHN O=C(N[C@H]1C=CCC1)[C@@]1(F)CCNC1 852847662 583214016 /nfs/dbraw/zinc/21/40/16/583214016.db2.gz RRZUEUJMYFLIKN-WCBMZHEXSA-N 0 3 198.241 0.523 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]2C[C@@H]2C1 852864421 583214022 /nfs/dbraw/zinc/21/40/22/583214022.db2.gz VFPZHAGPMKLQPO-LURQLKTLSA-N 0 3 180.251 0.202 20 0 ACADHN CC(C(N)=O)S(=O)(=O)C(C)(C)C 853020514 583215318 /nfs/dbraw/zinc/21/53/18/583215318.db2.gz GGWOPBVKKXDURP-YFKPBYRVSA-N 0 3 193.268 0.074 20 0 ACADHN CC(C(N)=O)S(=O)(=O)C(C)(C)C 853020506 583215345 /nfs/dbraw/zinc/21/53/45/583215345.db2.gz GGWOPBVKKXDURP-RXMQYKEDSA-N 0 3 193.268 0.074 20 0 ACADHN CN(C)CCN(C)c1cnc(F)cn1 853398440 583223402 /nfs/dbraw/zinc/22/34/02/583223402.db2.gz CTONWSBJTWLPQI-UHFFFAOYSA-N 0 3 198.245 0.614 20 0 ACADHN CN(C)C1CN(c2cnc(F)cn2)C1 853460858 583225599 /nfs/dbraw/zinc/22/55/99/583225599.db2.gz QCOLREIKIRLTFK-UHFFFAOYSA-N 0 3 196.229 0.366 20 0 ACADHN c1nncn1CN1CC[C@H]2C[C@H]2C1 853575286 583226139 /nfs/dbraw/zinc/22/61/39/583226139.db2.gz DCWJJRNVYUDOGM-IUCAKERBSA-N 0 3 178.239 0.577 20 0 ACADHN c1nncn1CN1CC[C@@H]2C[C@@H]2C1 853575287 583226254 /nfs/dbraw/zinc/22/62/54/583226254.db2.gz DCWJJRNVYUDOGM-RKDXNWHRSA-N 0 3 178.239 0.577 20 0 ACADHN C[C@@H](CN(C)C)Nc1cnc(F)cn1 853625453 583226630 /nfs/dbraw/zinc/22/66/30/583226630.db2.gz XCCHDKOORLAPHP-ZETCQYMHSA-N 0 3 198.245 0.978 20 0 ACADHN Cc1cc(NC(=O)[C@@H](C)N)ccc1N 854014471 583233149 /nfs/dbraw/zinc/23/31/49/583233149.db2.gz WNKZXMUIAQRYIU-SSDOTTSWSA-N 0 3 193.250 0.863 20 0 ACADHN CNCC(=O)Nc1ccc(N)c(C)c1 854013694 583233363 /nfs/dbraw/zinc/23/33/63/583233363.db2.gz CGLDGTRHFRXLSV-UHFFFAOYSA-N 0 3 193.250 0.735 20 0 ACADHN Cc1cc(NC(=O)[C@H](C)N)ccc1N 854014472 583234060 /nfs/dbraw/zinc/23/40/60/583234060.db2.gz WNKZXMUIAQRYIU-ZETCQYMHSA-N 0 3 193.250 0.863 20 0 ACADHN C/C=C/C(=O)NOC1CCN(C)CC1 854356890 583235406 /nfs/dbraw/zinc/23/54/06/583235406.db2.gz KKCFLLTYRJSLBB-ONEGZZNKSA-N 0 3 198.266 0.705 20 0 ACADHN C/C=C\C(=O)NOC1CCN(C)CC1 854356889 583235500 /nfs/dbraw/zinc/23/55/00/583235500.db2.gz KKCFLLTYRJSLBB-ARJAWSKDSA-N 0 3 198.266 0.705 20 0 ACADHN CN(C)CCONC(=O)c1cc[nH]c1 854945101 583243669 /nfs/dbraw/zinc/24/36/69/583243669.db2.gz AYUKGOQYJILQSJ-UHFFFAOYSA-N 0 3 197.238 0.238 20 0 ACADHN C[C@@H]1C[C@@H](C)N(CN2CCC2=O)C1 857232997 583262334 /nfs/dbraw/zinc/26/23/34/583262334.db2.gz RYYRNSIHMYAWFM-RKDXNWHRSA-N 0 3 182.267 0.907 20 0 ACADHN C[C@H]1C[C@H](C)N(CN2CCC2=O)C1 857232996 583262958 /nfs/dbraw/zinc/26/29/58/583262958.db2.gz RYYRNSIHMYAWFM-IUCAKERBSA-N 0 3 182.267 0.907 20 0 ACADHN C[C@@H]1CCN(CN2CCC2=O)[C@@H]1C 857235238 583262993 /nfs/dbraw/zinc/26/29/93/583262993.db2.gz PRAKOPTVDBUAHI-RKDXNWHRSA-N 0 3 182.267 0.907 20 0 ACADHN C[C@H]1CCN(CN2CCC2=O)[C@H]1C 857235237 583263019 /nfs/dbraw/zinc/26/30/19/583263019.db2.gz PRAKOPTVDBUAHI-IUCAKERBSA-N 0 3 182.267 0.907 20 0 ACADHN C[C@H]1CN(CN2CCC2=O)C[C@@H]1C 857235993 583263080 /nfs/dbraw/zinc/26/30/80/583263080.db2.gz WAWUWERSSUCIBZ-IUCAKERBSA-N 0 3 182.267 0.764 20 0 ACADHN C[C@H]1C[C@@H](C)N(CN2CCC2=O)C1 857232995 583263086 /nfs/dbraw/zinc/26/30/86/583263086.db2.gz RYYRNSIHMYAWFM-DTWKUNHWSA-N 0 3 182.267 0.907 20 0 ACADHN CC[C@H]1CCN(CN2CCC2=O)C1 857236039 583263124 /nfs/dbraw/zinc/26/31/24/583263124.db2.gz WXEIGKHXGUWJMM-VIFPVBQESA-N 0 3 182.267 0.908 20 0 ACADHN CC[C@@H]1CCN(CN2CCC2=O)C1 857236038 583263407 /nfs/dbraw/zinc/26/34/07/583263407.db2.gz WXEIGKHXGUWJMM-SECBINFHSA-N 0 3 182.267 0.908 20 0 ACADHN C[C@H]1C[C@@H](C)CN1CN1CCC1=O 857232994 583263424 /nfs/dbraw/zinc/26/34/24/583263424.db2.gz RYYRNSIHMYAWFM-BDAKNGLRSA-N 0 3 182.267 0.907 20 0 ACADHN C[C@@H]1CN(CN2CCC2=O)C[C@@H]1C 857235991 583263529 /nfs/dbraw/zinc/26/35/29/583263529.db2.gz WAWUWERSSUCIBZ-DTORHVGOSA-N 0 3 182.267 0.764 20 0 ACADHN C[C@@H]1CN(CN2CCC2=O)C[C@H]1C 857235994 583263533 /nfs/dbraw/zinc/26/35/33/583263533.db2.gz WAWUWERSSUCIBZ-RKDXNWHRSA-N 0 3 182.267 0.764 20 0 ACADHN C[C@H]1CCN(CN2CCC2=O)[C@@H]1C 857235236 583263624 /nfs/dbraw/zinc/26/36/24/583263624.db2.gz PRAKOPTVDBUAHI-DTWKUNHWSA-N 0 3 182.267 0.907 20 0 ACADHN C[C@H]1[C@H](C)CCN1CN1CCC1=O 857235235 583263725 /nfs/dbraw/zinc/26/37/25/583263725.db2.gz PRAKOPTVDBUAHI-BDAKNGLRSA-N 0 3 182.267 0.907 20 0 ACADHN CCN(c1nc(N)nc(N)n1)C(C)C 858356990 583269430 /nfs/dbraw/zinc/26/94/30/583269430.db2.gz JKENRVGTENAJMA-UHFFFAOYSA-N 0 3 196.258 0.271 20 0 ACADHN CON(C)C(=O)[C@@H](C)NCC1CC1 858324751 583269586 /nfs/dbraw/zinc/26/95/86/583269586.db2.gz DOFMJIDSPBGJGY-SSDOTTSWSA-N 0 3 186.255 0.394 20 0 ACADHN CC(C)(O)CNc1ccnc(CO)c1 858389050 583269615 /nfs/dbraw/zinc/26/96/15/583269615.db2.gz PJOAIQPAADGXJE-UHFFFAOYSA-N 0 3 196.250 0.757 20 0 ACADHN C[C@H](CO)Nc1ccnc(CO)c1 858339076 583269632 /nfs/dbraw/zinc/26/96/32/583269632.db2.gz YTGXFLUSQLHCIX-SSDOTTSWSA-N 0 3 182.223 0.367 20 0 ACADHN CC[C@@H](CO)Nc1ccnc(CO)c1 858309494 583269666 /nfs/dbraw/zinc/26/96/66/583269666.db2.gz BTNGVBVGQZOWHS-QMMMGPOBSA-N 0 3 196.250 0.757 20 0 ACADHN C[C@@H](CO)Nc1ccnc(CO)c1 858339077 583269760 /nfs/dbraw/zinc/26/97/60/583269760.db2.gz YTGXFLUSQLHCIX-ZETCQYMHSA-N 0 3 182.223 0.367 20 0 ACADHN OCCCNc1ccnc(CO)c1 858309293 583269928 /nfs/dbraw/zinc/26/99/28/583269928.db2.gz LIBDLMXQJVYPNX-UHFFFAOYSA-N 0 3 182.223 0.368 20 0 ACADHN C[C@@H](O)CNc1ccnc(CO)c1 858312331 583269961 /nfs/dbraw/zinc/26/99/61/583269961.db2.gz VBJSSZAIAYUDFQ-SSDOTTSWSA-N 0 3 182.223 0.367 20 0 ACADHN CC[C@H](CO)Nc1ccnc(CO)c1 858309493 583269998 /nfs/dbraw/zinc/26/99/98/583269998.db2.gz BTNGVBVGQZOWHS-MRVPVSSYSA-N 0 3 196.250 0.757 20 0 ACADHN C[C@H](O)CNc1ccnc(CO)c1 858312332 583270079 /nfs/dbraw/zinc/27/00/79/583270079.db2.gz VBJSSZAIAYUDFQ-ZETCQYMHSA-N 0 3 182.223 0.367 20 0 ACADHN OCc1cc(N[C@@H]2CCOC2)ccn1 858455878 583270845 /nfs/dbraw/zinc/27/08/45/583270845.db2.gz YIKAQTLUIDYLFM-SECBINFHSA-N 0 3 194.234 0.775 20 0 ACADHN CCn1nncc1CN[C@H](C)CCO 858439777 583270857 /nfs/dbraw/zinc/27/08/57/583270857.db2.gz HNIUYIRODZLCOC-MRVPVSSYSA-N 0 3 198.270 0.159 20 0 ACADHN OCCCCNc1ccnc(CO)c1 858518816 583271015 /nfs/dbraw/zinc/27/10/15/583271015.db2.gz XPFXZMSBWXKUGP-UHFFFAOYSA-N 0 3 196.250 0.758 20 0 ACADHN CCn1nncc1CN[C@@H](C)CCO 858439778 583271022 /nfs/dbraw/zinc/27/10/22/583271022.db2.gz HNIUYIRODZLCOC-QMMMGPOBSA-N 0 3 198.270 0.159 20 0 ACADHN C[C@@H](CCO)Nc1ccnc(CO)c1 858418536 583271201 /nfs/dbraw/zinc/27/12/01/583271201.db2.gz UCTRKCCHHMEPDA-QMMMGPOBSA-N 0 3 196.250 0.757 20 0 ACADHN C[C@H](CCO)Nc1ccnc(CO)c1 858418535 583271473 /nfs/dbraw/zinc/27/14/73/583271473.db2.gz UCTRKCCHHMEPDA-MRVPVSSYSA-N 0 3 196.250 0.757 20 0 ACADHN OCc1cc(N[C@H]2CCOC2)ccn1 858455879 583271540 /nfs/dbraw/zinc/27/15/40/583271540.db2.gz YIKAQTLUIDYLFM-VIFPVBQESA-N 0 3 194.234 0.775 20 0 ACADHN C[C@H](O)CCNc1ccnc(CO)c1 858411508 583271584 /nfs/dbraw/zinc/27/15/84/583271584.db2.gz BERUPKUUKJFEJM-QMMMGPOBSA-N 0 3 196.250 0.757 20 0 ACADHN CC[C@@H](O)CNc1ccnc(CO)c1 858628097 583271787 /nfs/dbraw/zinc/27/17/87/583271787.db2.gz XCWGELWNMSIBIW-SNVBAGLBSA-N 0 3 196.250 0.757 20 0 ACADHN OCc1cc(N[C@H]2C[C@@H](O)C2)ccn1 858564657 583271867 /nfs/dbraw/zinc/27/18/67/583271867.db2.gz SJVNADWIVQRSGB-WAAGHKOSSA-N 0 3 194.234 0.509 20 0 ACADHN Nc1nc(N)nc(N[C@@H]2C=CCC2)n1 858625597 583271906 /nfs/dbraw/zinc/27/19/06/583271906.db2.gz WYZUVSNIAHSGLN-RXMQYKEDSA-N 0 3 192.226 0.167 20 0 ACADHN C[C@H](NC[C@H]1C[C@@H](O)C1)c1ncc[nH]1 858543547 583271974 /nfs/dbraw/zinc/27/19/74/583271974.db2.gz LGHVWBNARJFCPV-XHNCKOQMSA-N 0 3 195.266 0.831 20 0 ACADHN C[C@@H](NC[C@H]1C[C@@H](O)C1)c1ncc[nH]1 858543546 583272021 /nfs/dbraw/zinc/27/20/21/583272021.db2.gz LGHVWBNARJFCPV-HLTSFMKQSA-N 0 3 195.266 0.831 20 0 ACADHN OCc1cc(N[C@H]2C[C@H](O)C2)ccn1 858635804 583272207 /nfs/dbraw/zinc/27/22/07/583272207.db2.gz SJVNADWIVQRSGB-CZMCAQCFSA-N 0 3 194.234 0.509 20 0 ACADHN OC/C=C\CNc1ccnc(CO)c1 858624897 583272278 /nfs/dbraw/zinc/27/22/78/583272278.db2.gz MMXWCNUCMBYVAF-UPHRSURJSA-N 0 3 194.234 0.534 20 0 ACADHN CON(C)C(=O)[C@H](C)NC(C)C 858579475 583272290 /nfs/dbraw/zinc/27/22/90/583272290.db2.gz QAYWVMCNESFWMX-ZETCQYMHSA-N 0 3 174.244 0.393 20 0 ACADHN OC/C=C/CNc1ccnc(CO)c1 858624895 583272479 /nfs/dbraw/zinc/27/24/79/583272479.db2.gz MMXWCNUCMBYVAF-OWOJBTEDSA-N 0 3 194.234 0.534 20 0 ACADHN Nc1nc(N)nc(N[C@H]2C=CCC2)n1 858625598 583272667 /nfs/dbraw/zinc/27/26/67/583272667.db2.gz WYZUVSNIAHSGLN-YFKPBYRVSA-N 0 3 192.226 0.167 20 0 ACADHN OCc1cc(N[C@@H]2CC[C@H]2O)ccn1 858583453 583272746 /nfs/dbraw/zinc/27/27/46/583272746.db2.gz JQTGJTHPPYJGHV-NXEZZACHSA-N 0 3 194.234 0.509 20 0 ACADHN CN(C)CCNC(=O)OCCF 858875029 583273365 /nfs/dbraw/zinc/27/33/65/583273365.db2.gz KBQYJZFADDCXEH-UHFFFAOYSA-N 0 3 178.207 0.244 20 0 ACADHN CON(C)C(=O)c1cccc(CN)c1 200772072 583279316 /nfs/dbraw/zinc/27/93/16/583279316.db2.gz NGVRJFINGJQNMM-UHFFFAOYSA-N 0 3 194.234 0.779 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)OCCF 859161455 583276737 /nfs/dbraw/zinc/27/67/37/583276737.db2.gz XLRBCCAGZXGQKO-ZETCQYMHSA-N 0 3 192.234 0.632 20 0 ACADHN CCN1CCCN(C=O)CC1 203337985 583301396 /nfs/dbraw/zinc/30/13/96/583301396.db2.gz KYXNFGQNKXANFD-UHFFFAOYSA-N 0 3 156.229 0.170 20 0 ACADHN CNC(=S)NNc1ccnc(C)c1 863205696 583307119 /nfs/dbraw/zinc/30/71/19/583307119.db2.gz MYRCOQXBWVAFPI-UHFFFAOYSA-N 0 3 196.279 0.233 20 0 ACADHN COC(=O)[C@@H](C)n1cc([C@H](C)N)nn1 864643854 583320994 /nfs/dbraw/zinc/32/09/94/583320994.db2.gz AWDXMRYYXUWODN-NTSWFWBYSA-N 0 3 198.226 0.032 20 0 ACADHN CC[C@H](N)c1cn(CCC(C)=O)nn1 864643268 583320622 /nfs/dbraw/zinc/32/06/22/583320622.db2.gz KIWMAYCBFVQUIY-QMMMGPOBSA-N 0 3 196.254 0.667 20 0 ACADHN COC(=O)[C@H](C)n1cc([C@@H](C)N)nn1 864643857 583320765 /nfs/dbraw/zinc/32/07/65/583320765.db2.gz AWDXMRYYXUWODN-RITPCOANSA-N 0 3 198.226 0.032 20 0 ACADHN CC[C@@H](N)c1cn(CCC(C)=O)nn1 864643267 583320910 /nfs/dbraw/zinc/32/09/10/583320910.db2.gz KIWMAYCBFVQUIY-MRVPVSSYSA-N 0 3 196.254 0.667 20 0 ACADHN CC(=O)C(C)(C)n1cc([C@H](C)N)nn1 864641939 583321004 /nfs/dbraw/zinc/32/10/04/583321004.db2.gz NHANPRSOBZATFH-LURJTMIESA-N 0 3 196.254 0.622 20 0 ACADHN COC(=O)[C@H](C)n1cc([C@H](C)N)nn1 864643858 583321124 /nfs/dbraw/zinc/32/11/24/583321124.db2.gz AWDXMRYYXUWODN-WDSKDSINSA-N 0 3 198.226 0.032 20 0 ACADHN CC(=O)C(C)(C)n1cc([C@@H](C)N)nn1 864641940 583321147 /nfs/dbraw/zinc/32/11/47/583321147.db2.gz NHANPRSOBZATFH-ZCFIWIBFSA-N 0 3 196.254 0.622 20 0 ACADHN CC(=O)CCn1cc(C(C)(C)N)nn1 864643967 583321360 /nfs/dbraw/zinc/32/13/60/583321360.db2.gz VMAOLAXRKQPTEQ-UHFFFAOYSA-N 0 3 196.254 0.451 20 0 ACADHN COC(=O)[C@@H](C)n1cc([C@@H](C)N)nn1 864643856 583321398 /nfs/dbraw/zinc/32/13/98/583321398.db2.gz AWDXMRYYXUWODN-PHDIDXHHSA-N 0 3 198.226 0.032 20 0 ACADHN CN(C)CCNc1ccc(F)nn1 865401348 583325728 /nfs/dbraw/zinc/32/57/28/583325728.db2.gz QIXHMRBVGVMQTB-UHFFFAOYSA-N 0 3 184.218 0.589 20 0 ACADHN O=c1ccc(CN[C@@H]2CC[C@H]2O)c[nH]1 865609660 583326923 /nfs/dbraw/zinc/32/69/23/583326923.db2.gz OEFFLKBJWCOFNG-RKDXNWHRSA-N 0 3 194.234 0.400 20 0 ACADHN CN(C)C1CN(c2ccc(F)nn2)C1 865650003 583327554 /nfs/dbraw/zinc/32/75/54/583327554.db2.gz ZJFPXTIEANVSQQ-UHFFFAOYSA-N 0 3 196.229 0.366 20 0 ACADHN CN(C)CCN(C)c1ccc(F)nn1 865577563 583327625 /nfs/dbraw/zinc/32/76/25/583327625.db2.gz NPWYQFGBEZSIAI-UHFFFAOYSA-N 0 3 198.245 0.614 20 0 ACADHN C[C@@H](CN(C)C)Nc1ccc(F)nn1 865807509 583328297 /nfs/dbraw/zinc/32/82/97/583328297.db2.gz SPMUHFPDYGFJJM-ZETCQYMHSA-N 0 3 198.245 0.978 20 0 ACADHN CCNCC(=O)NC[C@H](C)SC 122325606 583339304 /nfs/dbraw/zinc/33/93/04/583339304.db2.gz KFYNROXPKPAXIO-ZETCQYMHSA-N 0 3 190.312 0.464 20 0 ACADHN CCNCC(=O)NC[C@@H](C)SC 122325392 583340237 /nfs/dbraw/zinc/34/02/37/583340237.db2.gz KFYNROXPKPAXIO-SSDOTTSWSA-N 0 3 190.312 0.464 20 0 ACADHN COC(=O)N[C@H]1CCN(C2CC2)C1 122945774 583345545 /nfs/dbraw/zinc/34/55/45/583345545.db2.gz NTOWWYUTGUQENN-ZETCQYMHSA-N 0 3 184.239 0.579 20 0 ACADHN COC(=O)NC[C@H]1CCCN(C)C1 122982175 583345592 /nfs/dbraw/zinc/34/55/92/583345592.db2.gz FQMAVIXDMNLGCG-MRVPVSSYSA-N 0 3 186.255 0.684 20 0 ACADHN COC(=O)N[C@@H]1CCN(C2CC2)C1 122945547 583345697 /nfs/dbraw/zinc/34/56/97/583345697.db2.gz NTOWWYUTGUQENN-SSDOTTSWSA-N 0 3 184.239 0.579 20 0 ACADHN COC(=O)N1CCC[C@H]2CN(C)C[C@H]21 208239853 583347537 /nfs/dbraw/zinc/34/75/37/583347537.db2.gz KSHAWARWETYPSN-DTWKUNHWSA-N 0 3 198.266 0.779 20 0 ACADHN C[C@@H](NC[C@H]1C[C@H](O)C1)c1ncc[nH]1 872126165 583360633 /nfs/dbraw/zinc/36/06/33/583360633.db2.gz LGHVWBNARJFCPV-IWSPIJDZSA-N 0 3 195.266 0.831 20 0 ACADHN C[C@H](NC[C@H]1C[C@H](O)C1)c1ncc[nH]1 872126164 583360637 /nfs/dbraw/zinc/36/06/37/583360637.db2.gz LGHVWBNARJFCPV-CIUDSAMLSA-N 0 3 195.266 0.831 20 0 ACADHN CNCC(=O)N[C@]12CCC[C@H]1OCC2 872308270 583361451 /nfs/dbraw/zinc/36/14/51/583361451.db2.gz VELHLLRJIXEJID-SCZZXKLOSA-N 0 3 198.266 0.034 20 0 ACADHN C[C@@H](N)C(=O)N[C@]12CCC[C@H]1OCC2 872308039 583361529 /nfs/dbraw/zinc/36/15/29/583361529.db2.gz RKMUYCJPEHBQJB-MRTMQBJTSA-N 0 3 198.266 0.161 20 0 ACADHN FCCN1C[C@H]2COC[C@H]2C1 872320499 583361860 /nfs/dbraw/zinc/36/18/60/583361860.db2.gz ZNWKBECILFWXJA-OCAPTIKFSA-N 0 3 159.204 0.534 20 0 ACADHN C[S@@](=O)CCNCc1cccnc1 124196123 583370205 /nfs/dbraw/zinc/37/02/05/583370205.db2.gz BBZJJIDJGKIZML-ZDUSSCGKSA-N 0 3 198.291 0.550 20 0 ACADHN C[S@](=O)CCNCc1cccnc1 124196417 583370227 /nfs/dbraw/zinc/37/02/27/583370227.db2.gz BBZJJIDJGKIZML-CYBMUJFWSA-N 0 3 198.291 0.550 20 0 ACADHN C[C@H]1CN(c2cc(F)ncn2)CCN1 872773918 583370292 /nfs/dbraw/zinc/37/02/92/583370292.db2.gz ZQOHZAJNPONXJX-ZETCQYMHSA-N 0 3 196.229 0.414 20 0 ACADHN C[S@](=O)CCNCc1ccncc1 124189422 583370890 /nfs/dbraw/zinc/37/08/90/583370890.db2.gz AUFZHUURRGSMLY-CYBMUJFWSA-N 0 3 198.291 0.550 20 0 ACADHN C[S@@](=O)CCNCc1ccncc1 124189183 583370899 /nfs/dbraw/zinc/37/08/99/583370899.db2.gz AUFZHUURRGSMLY-ZDUSSCGKSA-N 0 3 198.291 0.550 20 0 ACADHN C[C@@H]1CN(c2cc(F)ncn2)CCN1 872772720 583371063 /nfs/dbraw/zinc/37/10/63/583371063.db2.gz ZQOHZAJNPONXJX-SSDOTTSWSA-N 0 3 196.229 0.414 20 0 ACADHN C[C@H](CO)N(C)c1ccnc(CO)c1 124593004 583374848 /nfs/dbraw/zinc/37/48/48/583374848.db2.gz SPJOCBNRQPQGLY-MRVPVSSYSA-N 0 3 196.250 0.391 20 0 ACADHN C[C@H](N[C@H]1CCN(C)C1)c1ncc[nH]1 124810005 583379563 /nfs/dbraw/zinc/37/95/63/583379563.db2.gz MORFCIBXXXWMOQ-IUCAKERBSA-N 0 3 194.282 0.764 20 0 ACADHN C[C@@H](N[C@@H]1CCN(C)C1)c1ncc[nH]1 124809827 583379111 /nfs/dbraw/zinc/37/91/11/583379111.db2.gz MORFCIBXXXWMOQ-RKDXNWHRSA-N 0 3 194.282 0.764 20 0 ACADHN C[C@H](N[C@@H]1CCN(C)C1)c1ncc[nH]1 124809637 583379270 /nfs/dbraw/zinc/37/92/70/583379270.db2.gz MORFCIBXXXWMOQ-DTWKUNHWSA-N 0 3 194.282 0.764 20 0 ACADHN C[C@@H](N[C@H]1CCN(C)C1)c1ncc[nH]1 124810232 583379477 /nfs/dbraw/zinc/37/94/77/583379477.db2.gz MORFCIBXXXWMOQ-BDAKNGLRSA-N 0 3 194.282 0.764 20 0 ACADHN C[C@H](NC1CC1)C(=O)NC1CC1 20308660 583380237 /nfs/dbraw/zinc/38/02/37/583380237.db2.gz HUBUFMBPLOKWQH-LURJTMIESA-N 0 3 168.240 0.406 20 0 ACADHN CCCN(C)C(=O)CN1CCCC1 874248323 583380348 /nfs/dbraw/zinc/38/03/48/583380348.db2.gz NWERUBFHFGQGSS-UHFFFAOYSA-N 0 3 184.283 0.951 20 0 ACADHN C[C@H]1CCN(C(=O)CN2CCCC2)C1 874268542 583380414 /nfs/dbraw/zinc/38/04/14/583380414.db2.gz OFOVKRKPMBDEEW-JTQLQIEISA-N 0 3 196.294 0.951 20 0 ACADHN C[C@H](N)c1cn(CC(F)(F)F)nn1 125006856 583380658 /nfs/dbraw/zinc/38/06/58/583380658.db2.gz GWXMCMKSWROQJH-BYPYZUCNSA-N 0 3 194.160 0.860 20 0 ACADHN CC(C)CNC(=O)[C@H](C)NC1CC1 20315318 583380801 /nfs/dbraw/zinc/38/08/01/583380801.db2.gz TYIQLUZUUPOIQO-QMMMGPOBSA-N 0 3 184.283 0.899 20 0 ACADHN CC(C)CNC(=O)[C@@H](C)NC1CC1 20315313 583380891 /nfs/dbraw/zinc/38/08/91/583380891.db2.gz TYIQLUZUUPOIQO-MRVPVSSYSA-N 0 3 184.283 0.899 20 0 ACADHN C[C@@H]1CCN(C(=O)CN2CCCC2)C1 874268544 583380924 /nfs/dbraw/zinc/38/09/24/583380924.db2.gz OFOVKRKPMBDEEW-SNVBAGLBSA-N 0 3 196.294 0.951 20 0 ACADHN CCN(CC)C(=O)[C@H](C)NC1CC1 20365372 583381002 /nfs/dbraw/zinc/38/10/02/583381002.db2.gz GFGALCKNJMFWDR-QMMMGPOBSA-N 0 3 184.283 0.995 20 0 ACADHN CCN(CC)C(=O)[C@@H](C)NC1CC1 20365370 583381079 /nfs/dbraw/zinc/38/10/79/583381079.db2.gz GFGALCKNJMFWDR-MRVPVSSYSA-N 0 3 184.283 0.995 20 0 ACADHN C[C@@H](N)c1cn(CC(F)(F)F)nn1 125007027 583381840 /nfs/dbraw/zinc/38/18/40/583381840.db2.gz GWXMCMKSWROQJH-SCSAIBSYSA-N 0 3 194.160 0.860 20 0 ACADHN CC(C)Cn1cc([C@@H](C)N)nn1 125007230 583382011 /nfs/dbraw/zinc/38/20/11/583382011.db2.gz MUVHUQUJJSMPSL-SSDOTTSWSA-N 0 3 168.244 0.954 20 0 ACADHN CCN[C@H](C)C(=O)N(C)c1cn[nH]c1 876778468 583388862 /nfs/dbraw/zinc/38/88/62/583388862.db2.gz FZVMOBLYMISQDZ-SSDOTTSWSA-N 0 3 196.254 0.371 20 0 ACADHN CCN[C@@H](C)C(=O)N(C)c1cn[nH]c1 876778469 583389065 /nfs/dbraw/zinc/38/90/65/583389065.db2.gz FZVMOBLYMISQDZ-ZETCQYMHSA-N 0 3 196.254 0.371 20 0 ACADHN O=C(N1C[C@H]2C[C@H]2C1)[C@]1(F)CCNC1 876995185 583389462 /nfs/dbraw/zinc/38/94/62/583389462.db2.gz XDHMSYXGKGEUQN-XKSSXDPKSA-N 0 3 198.241 0.166 20 0 ACADHN O=C(N1C[C@H]2C[C@H]2C1)[C@@]1(F)CCNC1 876995179 583389868 /nfs/dbraw/zinc/38/98/68/583389868.db2.gz XDHMSYXGKGEUQN-KHQFGBGNSA-N 0 3 198.241 0.166 20 0 ACADHN CCNCC(=O)N(C1CC1)C1CC1 877023260 583390687 /nfs/dbraw/zinc/39/06/87/583390687.db2.gz KSKVRRWKMZSQHG-UHFFFAOYSA-N 0 3 182.267 0.749 20 0 ACADHN COc1cncc(NC(=O)[C@@H](C)N)c1 877132089 583392031 /nfs/dbraw/zinc/39/20/31/583392031.db2.gz UGXHBWRYHWIKSM-ZCFIWIBFSA-N 0 3 195.222 0.376 20 0 ACADHN CNCC(=O)N[C@@H]1CCCC[C@@H]1F 877179568 583392120 /nfs/dbraw/zinc/39/21/20/583392120.db2.gz WWGKYLKPDFGONE-JGVFFNPUSA-N 0 3 188.246 0.603 20 0 ACADHN NCC(=O)N[C@@H]1CCCC[C@@H]1F 877178829 583392132 /nfs/dbraw/zinc/39/21/32/583392132.db2.gz AJXDTBGSILGOLH-NKWVEPMBSA-N 0 3 174.219 0.342 20 0 ACADHN COc1cncc(NC(=O)[C@H](C)N)c1 877132088 583392138 /nfs/dbraw/zinc/39/21/38/583392138.db2.gz UGXHBWRYHWIKSM-LURJTMIESA-N 0 3 195.222 0.376 20 0 ACADHN CCNCC(=O)Nc1nc(C)c[nH]1 877145311 583392227 /nfs/dbraw/zinc/39/22/27/583392227.db2.gz DRIGQQHYBALGCY-UHFFFAOYSA-N 0 3 182.227 0.266 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1CCCC[C@@H]1F 877174864 583392505 /nfs/dbraw/zinc/39/25/05/583392505.db2.gz FAZOHJKVSMRDSQ-GJMOJQLCSA-N 0 3 188.246 0.731 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1F 877174863 583392637 /nfs/dbraw/zinc/39/26/37/583392637.db2.gz FAZOHJKVSMRDSQ-BIIVOSGPSA-N 0 3 188.246 0.731 20 0 ACADHN CNCC(=O)Nc1cncc(OC)c1 877132303 583392858 /nfs/dbraw/zinc/39/28/58/583392858.db2.gz ZWLVMYDRQVLMMT-UHFFFAOYSA-N 0 3 195.222 0.248 20 0 ACADHN CO[C@]1(CN2CC3(CC3)C2)CCOC1 877557567 583395064 /nfs/dbraw/zinc/39/50/64/583395064.db2.gz UHSNQHOUDCAOPM-NSHDSACASA-N 0 3 197.278 0.888 20 0 ACADHN CO[C@@]1(CN2CC3(CC3)C2)CCOC1 877557566 583395227 /nfs/dbraw/zinc/39/52/27/583395227.db2.gz UHSNQHOUDCAOPM-LLVKDONJSA-N 0 3 197.278 0.888 20 0 ACADHN CC1(NC[C@@H]2CCCOC2)COC1 877691752 583397539 /nfs/dbraw/zinc/39/75/39/583397539.db2.gz VEPBDPSYGHACTM-VIFPVBQESA-N 0 3 185.267 0.792 20 0 ACADHN CC1(NC[C@H]2CCCOC2)COC1 877691751 583397732 /nfs/dbraw/zinc/39/77/32/583397732.db2.gz VEPBDPSYGHACTM-SECBINFHSA-N 0 3 185.267 0.792 20 0 ACADHN CNC(=O)CN(C)CCCC1CC1 877957492 583400915 /nfs/dbraw/zinc/40/09/15/583400915.db2.gz LZIUPYZJXXOKLF-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN O=C1CN(CCCC2CC2)CCCN1 878038501 583404191 /nfs/dbraw/zinc/40/41/91/583404191.db2.gz BJQBUYFZYALRKO-UHFFFAOYSA-N 0 3 196.294 0.999 20 0 ACADHN C=C/C=C\CCN(C)[C@@H]1CCNC1=O 878307985 583408302 /nfs/dbraw/zinc/40/83/02/583408302.db2.gz WRRDCYXWAADJRI-UMCURTJPSA-N 0 3 194.278 0.939 20 0 ACADHN C=C/C=C\CCN(C)[C@H]1CCNC1=O 878307983 583408315 /nfs/dbraw/zinc/40/83/15/583408315.db2.gz WRRDCYXWAADJRI-LWTINBJPSA-N 0 3 194.278 0.939 20 0 ACADHN C=C/C=C/CCN(C)[C@H]1CCNC1=O 878307986 583408820 /nfs/dbraw/zinc/40/88/20/583408820.db2.gz WRRDCYXWAADJRI-YEZKRMTDSA-N 0 3 194.278 0.939 20 0 ACADHN C=C/C=C/CCN(C)[C@@H]1CCNC1=O 878307984 583408674 /nfs/dbraw/zinc/40/86/74/583408674.db2.gz WRRDCYXWAADJRI-ORAHPGNNSA-N 0 3 194.278 0.939 20 0 ACADHN CN(CCCC1CC1)[C@@H]1CCNC1=O 878307586 583409021 /nfs/dbraw/zinc/40/90/21/583409021.db2.gz QRMQRCVTSNCWTQ-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CN(CCCC1CC1)[C@H]1CCNC1=O 878307585 583409036 /nfs/dbraw/zinc/40/90/36/583409036.db2.gz QRMQRCVTSNCWTQ-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN C=C/C=C\CCNC1(C(N)=O)CC1 878386096 583409545 /nfs/dbraw/zinc/40/95/45/583409545.db2.gz VDXJXOFTHMULGX-ARJAWSKDSA-N 0 3 180.251 0.726 20 0 ACADHN C=C/C=C/CCNC1(C(N)=O)CC1 878386098 583409775 /nfs/dbraw/zinc/40/97/75/583409775.db2.gz VDXJXOFTHMULGX-ONEGZZNKSA-N 0 3 180.251 0.726 20 0 ACADHN NC(=O)C1(NCCCC2CC2)CC1 878386503 583410130 /nfs/dbraw/zinc/41/01/30/583410130.db2.gz ZZFBTXNPOSEQRM-UHFFFAOYSA-N 0 3 182.267 0.784 20 0 ACADHN CC(=O)CN[C@@H](CCO)C1CC1 878420195 583410775 /nfs/dbraw/zinc/41/07/75/583410775.db2.gz NARRBXRBKFRAST-VIFPVBQESA-N 0 3 171.240 0.326 20 0 ACADHN CC(=O)CN[C@H](CCO)C1CC1 878420194 583411147 /nfs/dbraw/zinc/41/11/47/583411147.db2.gz NARRBXRBKFRAST-SECBINFHSA-N 0 3 171.240 0.326 20 0 ACADHN C=C/C=C\CCN(CC)CC(N)=O 878498204 583411808 /nfs/dbraw/zinc/41/18/08/583411808.db2.gz CKZZABUDAXCQLG-WAYWQWQTSA-N 0 3 182.267 0.926 20 0 ACADHN C=C/C=C/CCN(CC)CC(N)=O 878498202 583411843 /nfs/dbraw/zinc/41/18/43/583411843.db2.gz CKZZABUDAXCQLG-AATRIKPKSA-N 0 3 182.267 0.926 20 0 ACADHN CCN(CCCC1CC1)CC(N)=O 878500427 583412250 /nfs/dbraw/zinc/41/22/50/583412250.db2.gz ZHPXDPBOFPCPKI-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN C[C@H]1C[C@@H](O)CN(Cc2cnc[nH]2)C1 878691095 583413329 /nfs/dbraw/zinc/41/33/29/583413329.db2.gz JZYDFLBQAYDDMF-WCBMZHEXSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@@H]1[C@H](O)CCN1Cc1cnc[nH]1 878684927 583413449 /nfs/dbraw/zinc/41/34/49/583413449.db2.gz NUWXMPSTLPRWGZ-VXNVDRBHSA-N 0 3 181.239 0.365 20 0 ACADHN C[C@@H]1C[C@H](O)CN(Cc2cnc[nH]2)C1 878691094 583413655 /nfs/dbraw/zinc/41/36/55/583413655.db2.gz JZYDFLBQAYDDMF-SCZZXKLOSA-N 0 3 195.266 0.612 20 0 ACADHN C/C=C\C(=O)N(C)CCN(C)C 209661338 583415295 /nfs/dbraw/zinc/41/52/95/583415295.db2.gz MHFPCHJQXIZWHA-WAYWQWQTSA-N 0 3 170.256 0.583 20 0 ACADHN COC(=O)N(C)C[C@@H]1CCCN1C 127553105 583416843 /nfs/dbraw/zinc/41/68/43/583416843.db2.gz QCADJFUYFYPSEE-QMMMGPOBSA-N 0 3 186.255 0.779 20 0 ACADHN COC(=O)N(C)C[C@H]1CCCN1C 127552890 583417370 /nfs/dbraw/zinc/41/73/70/583417370.db2.gz QCADJFUYFYPSEE-MRVPVSSYSA-N 0 3 186.255 0.779 20 0 ACADHN COC(=O)N[C@@H](C)CN(C)C 127668118 583418213 /nfs/dbraw/zinc/41/82/13/583418213.db2.gz KYWILBXJTHGNGF-LURJTMIESA-N 0 3 160.217 0.293 20 0 ACADHN CNC(=O)CN1C[C@H]2CC=CC[C@H]2C1 879528744 583420745 /nfs/dbraw/zinc/42/07/45/583420745.db2.gz LQGVBFMBACSNRK-AOOOYVTPSA-N 0 3 194.278 0.630 20 0 ACADHN OC[C@@H]1CCCCN1Cc1cnc[nH]1 127940410 583421403 /nfs/dbraw/zinc/42/14/03/583421403.db2.gz WIASPYDTNOJCGX-JTQLQIEISA-N 0 3 195.266 0.757 20 0 ACADHN OC[C@H]1CCCCN1Cc1cnc[nH]1 127940188 583422329 /nfs/dbraw/zinc/42/23/29/583422329.db2.gz WIASPYDTNOJCGX-SNVBAGLBSA-N 0 3 195.266 0.757 20 0 ACADHN CCN1CCC(CO)(CO)CC1 879968703 583424867 /nfs/dbraw/zinc/42/48/67/583424867.db2.gz UEUFLBKGONQAFG-UHFFFAOYSA-N 0 3 173.256 0.073 20 0 ACADHN FC1CCN(CCc2cn[nH]n2)CC1 880239970 583428645 /nfs/dbraw/zinc/42/86/45/583428645.db2.gz UYMRNQJVCVFPML-UHFFFAOYSA-N 0 3 198.245 0.781 20 0 ACADHN C[S@](=O)CCN1CC[C@H](CF)C1 880298589 583428889 /nfs/dbraw/zinc/42/88/89/583428889.db2.gz FQVBJWRBDMDVCN-PELKAZGASA-N 0 3 193.287 0.656 20 0 ACADHN C[S@@](=O)CCN1CC[C@@H](CF)C1 880298591 583429007 /nfs/dbraw/zinc/42/90/07/583429007.db2.gz FQVBJWRBDMDVCN-QPUJVOFHSA-N 0 3 193.287 0.656 20 0 ACADHN FC[C@@H]1CCN(CC2OCCO2)C1 880298712 583429118 /nfs/dbraw/zinc/42/91/18/583429118.db2.gz IRPAAVPVYHKJRM-QMMMGPOBSA-N 0 3 189.230 0.651 20 0 ACADHN CN(C)C(=O)CN1CC[C@H](CF)C1 880291125 583429144 /nfs/dbraw/zinc/42/91/44/583429144.db2.gz JEBUVAQLVNEMJL-MRVPVSSYSA-N 0 3 188.246 0.366 20 0 ACADHN C[S@@](=O)CCN1CC[C@H](CF)C1 880298590 583429152 /nfs/dbraw/zinc/42/91/52/583429152.db2.gz FQVBJWRBDMDVCN-PRHODGIISA-N 0 3 193.287 0.656 20 0 ACADHN CNC(=O)CN1CC[C@@H](CF)C1 880292848 583429168 /nfs/dbraw/zinc/42/91/68/583429168.db2.gz XENHGEDXZLDVDZ-ZETCQYMHSA-N 0 3 174.219 0.024 20 0 ACADHN FC[C@H]1CCN(CC2OCCO2)C1 880298711 583429221 /nfs/dbraw/zinc/42/92/21/583429221.db2.gz IRPAAVPVYHKJRM-MRVPVSSYSA-N 0 3 189.230 0.651 20 0 ACADHN FC[C@H]1CCN(CCn2cncn2)C1 880294343 583429310 /nfs/dbraw/zinc/42/93/10/583429310.db2.gz UCQIGMDADPNKQP-SECBINFHSA-N 0 3 198.245 0.570 20 0 ACADHN CNC(=O)CN1CC[C@H](CF)C1 880292847 583429339 /nfs/dbraw/zinc/42/93/39/583429339.db2.gz XENHGEDXZLDVDZ-SSDOTTSWSA-N 0 3 174.219 0.024 20 0 ACADHN FC[C@@H]1CCN(CCn2cncn2)C1 880294344 583429484 /nfs/dbraw/zinc/42/94/84/583429484.db2.gz UCQIGMDADPNKQP-VIFPVBQESA-N 0 3 198.245 0.570 20 0 ACADHN C[S@](=O)CCN1CC[C@@H](CF)C1 880298592 583429579 /nfs/dbraw/zinc/42/95/79/583429579.db2.gz FQVBJWRBDMDVCN-UFBFGSQYSA-N 0 3 193.287 0.656 20 0 ACADHN CN(C)C(=O)CN1CC[C@@H](CF)C1 880291126 583429726 /nfs/dbraw/zinc/42/97/26/583429726.db2.gz JEBUVAQLVNEMJL-QMMMGPOBSA-N 0 3 188.246 0.366 20 0 ACADHN C/C=C\C(=O)NC1CCN(C)CC1 211394264 583440942 /nfs/dbraw/zinc/44/09/42/583440942.db2.gz FLKUOWLRMHLRQP-ARJAWSKDSA-N 0 3 182.267 0.773 20 0 ACADHN CN(C)CCN(C)C(=O)N1CCCC1 128917066 583442063 /nfs/dbraw/zinc/44/20/63/583442063.db2.gz OGWWQHSXZSKOFF-UHFFFAOYSA-N 0 3 199.298 0.696 20 0 ACADHN CCn1nc(C)c2c1CNCC2 211530419 583443412 /nfs/dbraw/zinc/44/34/12/583443412.db2.gz GWVKUSTXNJHUOT-UHFFFAOYSA-N 0 3 165.240 0.857 20 0 ACADHN C[C@H]1CCN1C(=O)[C@@H]1CCCN1C 881480248 583443732 /nfs/dbraw/zinc/44/37/32/583443732.db2.gz QCUKYMTUVVAEOR-IUCAKERBSA-N 0 3 182.267 0.701 20 0 ACADHN C[C@H]1CCN1C(=O)C1CCN(C)CC1 881480353 583444002 /nfs/dbraw/zinc/44/40/02/583444002.db2.gz RUZWSKLFZBYQKV-VIFPVBQESA-N 0 3 196.294 0.949 20 0 ACADHN C[C@@H]1CCN1C(=O)[C@H]1CCCN1C 881480249 583444220 /nfs/dbraw/zinc/44/42/20/583444220.db2.gz QCUKYMTUVVAEOR-RKDXNWHRSA-N 0 3 182.267 0.701 20 0 ACADHN C[C@@H]1CCN1C(=O)C1CCN(C)CC1 881480352 583444249 /nfs/dbraw/zinc/44/42/49/583444249.db2.gz RUZWSKLFZBYQKV-SECBINFHSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@H]1CCN1C(=O)[C@H]1CCCN1C 881480247 583444303 /nfs/dbraw/zinc/44/43/03/583444303.db2.gz QCUKYMTUVVAEOR-DTWKUNHWSA-N 0 3 182.267 0.701 20 0 ACADHN C[C@@H]1CCN1C(=O)[C@@H]1CCCN1C 881480246 583444354 /nfs/dbraw/zinc/44/43/54/583444354.db2.gz QCUKYMTUVVAEOR-BDAKNGLRSA-N 0 3 182.267 0.701 20 0 ACADHN CC(F)(F)COC1CNC1 211863308 583446795 /nfs/dbraw/zinc/44/67/95/583446795.db2.gz KCPSXLAIVPNFDI-UHFFFAOYSA-N 0 3 151.156 0.630 20 0 ACADHN NCc1cc(=O)c(O)cn1C1CC1 211776049 583447045 /nfs/dbraw/zinc/44/70/45/583447045.db2.gz FGGWDHJCWVAWAE-UHFFFAOYSA-N 0 3 180.207 0.348 20 0 ACADHN CC(C)n1cc(O)c(=O)cc1CN 211776161 583447194 /nfs/dbraw/zinc/44/71/94/583447194.db2.gz HZNCFQXGYALNCV-UHFFFAOYSA-N 0 3 182.223 0.594 20 0 ACADHN CSCCOC1CNC1 129543067 583451427 /nfs/dbraw/zinc/45/14/27/583451427.db2.gz VGERUHNCEWHGJJ-UHFFFAOYSA-N 0 3 147.243 0.338 20 0 ACADHN C[S@](=O)CCNCc1cc[nH]c1 129985183 583455729 /nfs/dbraw/zinc/45/57/29/583455729.db2.gz IXTPOOIEYWDGGI-GFCCVEGCSA-N 0 3 186.280 0.483 20 0 ACADHN C[S@@](=O)CCNCc1cc[nH]c1 129984980 583456289 /nfs/dbraw/zinc/45/62/89/583456289.db2.gz IXTPOOIEYWDGGI-LBPRGKRZSA-N 0 3 186.280 0.483 20 0 ACADHN C[C@H]1C[C@@H]1CNCCS(C)(=O)=O 130953295 583462001 /nfs/dbraw/zinc/46/20/01/583462001.db2.gz MMGHXXCDTYWODX-JGVFFNPUSA-N 0 3 191.296 0.277 20 0 ACADHN CN(CCF)C(C)(C)CO 130980685 583462110 /nfs/dbraw/zinc/46/21/10/583462110.db2.gz MWBOFLBYEBXEOG-UHFFFAOYSA-N 0 3 149.209 0.659 20 0 ACADHN C[C@H]1C[C@H]1CNCCS(C)(=O)=O 130953690 583462157 /nfs/dbraw/zinc/46/21/57/583462157.db2.gz MMGHXXCDTYWODX-YUMQZZPRSA-N 0 3 191.296 0.277 20 0 ACADHN CON(C)CCNCc1ccnn1C 883172848 583462703 /nfs/dbraw/zinc/46/27/03/583462703.db2.gz VPZPQWOHQJCMTQ-UHFFFAOYSA-N 0 3 198.270 0.003 20 0 ACADHN CON(C)CCNCc1ccncc1 883172470 583462732 /nfs/dbraw/zinc/46/27/32/583462732.db2.gz ICGWVWMIMNSKEK-UHFFFAOYSA-N 0 3 195.266 0.664 20 0 ACADHN CON(C)CCNCc1cncn1C 883172283 583462924 /nfs/dbraw/zinc/46/29/24/583462924.db2.gz CEGUWBOHCUFZHN-UHFFFAOYSA-N 0 3 198.270 0.003 20 0 ACADHN CON(C)CCNCc1ccn(C)c1 883172167 583462975 /nfs/dbraw/zinc/46/29/75/583462975.db2.gz YOBJVVNZQBJYRO-UHFFFAOYSA-N 0 3 197.282 0.608 20 0 ACADHN CON(C)CCNCc1cc[nH]c1 883171674 583463015 /nfs/dbraw/zinc/46/30/15/583463015.db2.gz FMNXSDUNXXPKFW-UHFFFAOYSA-N 0 3 183.255 0.598 20 0 ACADHN CON(C)CCNCc1c[nH]nc1C 883172836 583463316 /nfs/dbraw/zinc/46/33/16/583463316.db2.gz VBKMJFWXXMDFOM-UHFFFAOYSA-N 0 3 198.270 0.301 20 0 ACADHN CON(C)CCNCc1cnn(C)c1 883172854 583463663 /nfs/dbraw/zinc/46/36/63/583463663.db2.gz VXPZJZGZKDSECQ-UHFFFAOYSA-N 0 3 198.270 0.003 20 0 ACADHN CON(C)CCNCc1cccnc1 883172941 583463787 /nfs/dbraw/zinc/46/37/87/583463787.db2.gz YHBPXGGQOIGWIG-UHFFFAOYSA-N 0 3 195.266 0.664 20 0 ACADHN CN[C@@H](CC(C)C)C(=O)N(C)OC 884174889 583473816 /nfs/dbraw/zinc/47/38/16/583473816.db2.gz AQTOQAYPNCLUMR-QMMMGPOBSA-N 0 3 188.271 0.640 20 0 ACADHN CO[C@@H](CN)C(=O)N(C1CC1)C1CC1 884434836 583476328 /nfs/dbraw/zinc/47/63/28/583476328.db2.gz ZBSKASBVGLEJQH-VIFPVBQESA-N 0 3 198.266 0.114 20 0 ACADHN CC(C)C[C@H](C)[C@H](N)C(N)=O 215287744 583477001 /nfs/dbraw/zinc/47/70/01/583477001.db2.gz PLFRVGZTEXPXCF-BQBZGAKWSA-N 0 3 158.245 0.481 20 0 ACADHN CC(C)C[C@@H](C)[C@@H](N)C(N)=O 215287788 583477207 /nfs/dbraw/zinc/47/72/07/583477207.db2.gz PLFRVGZTEXPXCF-RNFRBKRXSA-N 0 3 158.245 0.481 20 0 ACADHN NC(=O)[C@H](N)C[C@H]1CC=CCC1 215301199 583477290 /nfs/dbraw/zinc/47/72/90/583477290.db2.gz JJLRGQPKMBYQJG-JGVFFNPUSA-N 0 3 168.240 0.545 20 0 ACADHN CC(C)C[C@H](C)[C@@H](N)C(N)=O 215287836 583477301 /nfs/dbraw/zinc/47/73/01/583477301.db2.gz PLFRVGZTEXPXCF-NKWVEPMBSA-N 0 3 158.245 0.481 20 0 ACADHN NC(=O)[C@@H](N)C[C@@H]1CC=CCC1 215301062 583477324 /nfs/dbraw/zinc/47/73/24/583477324.db2.gz JJLRGQPKMBYQJG-SFYZADRCSA-N 0 3 168.240 0.545 20 0 ACADHN CCO[N-]C(=O)CC[C@H]1CC[NH2+]C1 134575567 583477596 /nfs/dbraw/zinc/47/75/96/583477596.db2.gz UDAUFSHIZBXRGX-QMMMGPOBSA-N 0 3 186.255 0.444 20 0 ACADHN CO[N-]C(=O)CC[C@@H]1CC[NH2+]C1 134575441 583477643 /nfs/dbraw/zinc/47/76/43/583477643.db2.gz ARIUCGKWWJQWSB-SSDOTTSWSA-N 0 3 172.228 0.054 20 0 ACADHN NC(=O)[C@H](N)C[C@@H]1CC=CCC1 215301154 583477767 /nfs/dbraw/zinc/47/77/67/583477767.db2.gz JJLRGQPKMBYQJG-HTQZYQBOSA-N 0 3 168.240 0.545 20 0 ACADHN CO[N-]C(=O)CC[C@H]1CC[NH2+]C1 134575463 583477772 /nfs/dbraw/zinc/47/77/72/583477772.db2.gz ARIUCGKWWJQWSB-ZETCQYMHSA-N 0 3 172.228 0.054 20 0 ACADHN CCO[N-]C(=O)CC[C@@H]1CC[NH2+]C1 134575547 583477778 /nfs/dbraw/zinc/47/77/78/583477778.db2.gz UDAUFSHIZBXRGX-MRVPVSSYSA-N 0 3 186.255 0.444 20 0 ACADHN COCC(C)(C)NCC(OC)OC 135144404 583481700 /nfs/dbraw/zinc/48/17/00/583481700.db2.gz PTJLCFJAPJXQMQ-UHFFFAOYSA-N 0 3 191.271 0.620 20 0 ACADHN CC[C@@H](O)CN1CCN(C)[C@@H](C)C1 216587492 583485717 /nfs/dbraw/zinc/48/57/17/583485717.db2.gz TXRYGAKPSRTEBL-VHSXEESVSA-N 0 3 186.299 0.393 20 0 ACADHN CCNC(=S)NC[C@H](C)N(C)C 135954118 583487141 /nfs/dbraw/zinc/48/71/41/583487141.db2.gz VBEBALPGYLGEJU-ZETCQYMHSA-N 0 3 189.328 0.421 20 0 ACADHN COC(=O)NC[C@H](C)N(C)C 136235789 583487619 /nfs/dbraw/zinc/48/76/19/583487619.db2.gz YHQVGHNWGYTGRH-LURJTMIESA-N 0 3 160.217 0.293 20 0 ACADHN C[C@@](O)(CN1CCC1)C(F)F 886008653 583488960 /nfs/dbraw/zinc/48/89/60/583488960.db2.gz RTUGRMZHWNIZKC-SSDOTTSWSA-N 0 3 165.183 0.708 20 0 ACADHN C[C@](O)(CN1CCC1)C(F)F 886008654 583489005 /nfs/dbraw/zinc/48/90/05/583489005.db2.gz RTUGRMZHWNIZKC-ZETCQYMHSA-N 0 3 165.183 0.708 20 0 ACADHN C[C@](O)(CN1CC[C@H](O)C1)C(F)F 885988899 583489035 /nfs/dbraw/zinc/48/90/35/583489035.db2.gz RIBRUMDHZRDLKX-XPUUQOCRSA-N 0 3 195.209 0.069 20 0 ACADHN CCN(CCO)C[C@@](C)(O)C(F)F 885985274 583489077 /nfs/dbraw/zinc/48/90/77/583489077.db2.gz CWMMIEBEWZQTHT-MRVPVSSYSA-N 0 3 197.225 0.317 20 0 ACADHN C[C@@](O)(CN1CC[C@H](O)C1)C(F)F 885988898 583489140 /nfs/dbraw/zinc/48/91/40/583489140.db2.gz RIBRUMDHZRDLKX-POYBYMJQSA-N 0 3 195.209 0.069 20 0 ACADHN CCN(CCO)C[C@](C)(O)C(F)F 885985275 583489228 /nfs/dbraw/zinc/48/92/28/583489228.db2.gz CWMMIEBEWZQTHT-QMMMGPOBSA-N 0 3 197.225 0.317 20 0 ACADHN COCCN(C)C[C@@](C)(O)C(F)F 885963414 583489663 /nfs/dbraw/zinc/48/96/63/583489663.db2.gz NLKAUUNRSCSJJN-MRVPVSSYSA-N 0 3 197.225 0.581 20 0 ACADHN COCCN(C)C[C@](C)(O)C(F)F 885963419 583489678 /nfs/dbraw/zinc/48/96/78/583489678.db2.gz NLKAUUNRSCSJJN-QMMMGPOBSA-N 0 3 197.225 0.581 20 0 ACADHN C[C@@H](O)CN(C)C[C@](C)(O)C(F)F 886021515 583489982 /nfs/dbraw/zinc/48/99/82/583489982.db2.gz XYICDLCOUFDFSB-SVRRBLITSA-N 0 3 197.225 0.315 20 0 ACADHN C[C@H](O)CN(C)C[C@@](C)(O)C(F)F 886021514 583490396 /nfs/dbraw/zinc/49/03/96/583490396.db2.gz XYICDLCOUFDFSB-POYBYMJQSA-N 0 3 197.225 0.315 20 0 ACADHN C[C@@H](O)CN(C)C[C@@](C)(O)C(F)F 886021513 583490607 /nfs/dbraw/zinc/49/06/07/583490607.db2.gz XYICDLCOUFDFSB-HTRCEHHLSA-N 0 3 197.225 0.315 20 0 ACADHN C[C@H](O)CN(C)C[C@](C)(O)C(F)F 886021516 583490628 /nfs/dbraw/zinc/49/06/28/583490628.db2.gz XYICDLCOUFDFSB-XPUUQOCRSA-N 0 3 197.225 0.315 20 0 ACADHN CN(CCCO)C[C@@](C)(O)C(F)F 886188259 583492956 /nfs/dbraw/zinc/49/29/56/583492956.db2.gz OKJVIAOMJJDWJI-MRVPVSSYSA-N 0 3 197.225 0.317 20 0 ACADHN CN(CCCO)C[C@](C)(O)C(F)F 886188260 583493288 /nfs/dbraw/zinc/49/32/88/583493288.db2.gz OKJVIAOMJJDWJI-QMMMGPOBSA-N 0 3 197.225 0.317 20 0 ACADHN CCN(C)C(=O)CN1C[C@H]2C[C@H]2C1 886332726 583495596 /nfs/dbraw/zinc/49/55/96/583495596.db2.gz XZHOXNUJEGHWPL-DTORHVGOSA-N 0 3 182.267 0.416 20 0 ACADHN C[C@H](C(=O)NC1CC1)N1C[C@H]2C[C@H]2C1 886328216 583495666 /nfs/dbraw/zinc/49/56/66/583495666.db2.gz CDNYTDILLXOKGB-HLTSFMKQSA-N 0 3 194.278 0.605 20 0 ACADHN CCCNC(=O)[C@@H](C)N1C[C@H]2C[C@H]2C1 886328292 583495713 /nfs/dbraw/zinc/49/57/13/583495713.db2.gz FMUHHYOUDRUAMH-BBBLOLIVSA-N 0 3 196.294 0.853 20 0 ACADHN CN(C)C(=O)CN1C[C@H]2C[C@H]2C1 886326916 583495723 /nfs/dbraw/zinc/49/57/23/583495723.db2.gz WKEZVINRWOBOOU-OCAPTIKFSA-N 0 3 168.240 0.026 20 0 ACADHN O=C1OCCN1CCN1C[C@H]2C[C@H]2C1 886332362 583495900 /nfs/dbraw/zinc/49/59/00/583495900.db2.gz SNAAONZYDNORRD-DTORHVGOSA-N 0 3 196.250 0.390 20 0 ACADHN O=C(CN1C[C@H]2C[C@H]2C1)N1CCCC1 886328674 583495923 /nfs/dbraw/zinc/49/59/23/583495923.db2.gz OQCCIDCTVNFVLX-AOOOYVTPSA-N 0 3 194.278 0.561 20 0 ACADHN C[C@@H](C(=O)NC1CC1)N1C[C@H]2C[C@H]2C1 886328219 583495926 /nfs/dbraw/zinc/49/59/26/583495926.db2.gz CDNYTDILLXOKGB-XHNCKOQMSA-N 0 3 194.278 0.605 20 0 ACADHN CCCNC(=O)[C@H](C)N1C[C@H]2C[C@H]2C1 886328295 583495951 /nfs/dbraw/zinc/49/59/51/583495951.db2.gz FMUHHYOUDRUAMH-LPEHRKFASA-N 0 3 196.294 0.853 20 0 ACADHN CCN(CC)C(=O)CN1C[C@H]2C[C@H]2C1 886326966 583495960 /nfs/dbraw/zinc/49/59/60/583495960.db2.gz XRHKSDPYPHMSTN-AOOOYVTPSA-N 0 3 196.294 0.807 20 0 ACADHN CN(C(=O)CN1C[C@H]2C[C@H]2C1)C1CC1 886331624 583495969 /nfs/dbraw/zinc/49/59/69/583495969.db2.gz IMUMWQOTZMNDKL-DTORHVGOSA-N 0 3 194.278 0.559 20 0 ACADHN O=C1CCCN1CCN1C[C@H]2C[C@H]2C1 886332155 583495974 /nfs/dbraw/zinc/49/59/74/583495974.db2.gz PPNBZBOCHVIHLY-AOOOYVTPSA-N 0 3 194.278 0.561 20 0 ACADHN C[S@](=O)CCN1C[C@H]2C[C@H]2C1 886346867 583496888 /nfs/dbraw/zinc/49/68/88/583496888.db2.gz TUWRFYYGYJNQIL-RNSXUZJQSA-N 0 3 173.281 0.317 20 0 ACADHN C[S@@](=O)CCN1C[C@H]2C[C@H]2C1 886346868 583497241 /nfs/dbraw/zinc/49/72/41/583497241.db2.gz TUWRFYYGYJNQIL-VHSKPIJISA-N 0 3 173.281 0.317 20 0 ACADHN CON(C)C(=O)[C@@H](C(C)C)N(C)C 219758126 583498916 /nfs/dbraw/zinc/49/89/16/583498916.db2.gz NCAZSKRSIHRGSW-MRVPVSSYSA-N 0 3 188.271 0.592 20 0 ACADHN CCN(CC)C(=O)[C@@]1(F)CCNC1 219684607 583499020 /nfs/dbraw/zinc/49/90/20/583499020.db2.gz YFRPXVCZJXMKLA-SECBINFHSA-N 0 3 188.246 0.556 20 0 ACADHN CCN(CC)C(=O)[C@]1(F)CCNC1 219684523 583499152 /nfs/dbraw/zinc/49/91/52/583499152.db2.gz YFRPXVCZJXMKLA-VIFPVBQESA-N 0 3 188.246 0.556 20 0 ACADHN CCCN(C)CC[S@@](C)=O 220537685 583501207 /nfs/dbraw/zinc/50/12/07/583501207.db2.gz KEEWRDXVLSZDRH-SNVBAGLBSA-N 0 3 163.286 0.707 20 0 ACADHN CCCN(C)CC[S@](C)=O 220537627 583501222 /nfs/dbraw/zinc/50/12/22/583501222.db2.gz KEEWRDXVLSZDRH-JTQLQIEISA-N 0 3 163.286 0.707 20 0 ACADHN COCCN1CCN(C)[C@H](C)C1 220810848 583502463 /nfs/dbraw/zinc/50/24/63/583502463.db2.gz JWNBILSJZCFVFM-SECBINFHSA-N 0 3 172.272 0.269 20 0 ACADHN COCCN1CCN(C)[C@@H](C)C1 220810893 583502817 /nfs/dbraw/zinc/50/28/17/583502817.db2.gz JWNBILSJZCFVFM-VIFPVBQESA-N 0 3 172.272 0.269 20 0 ACADHN CN(CCCF)CCc1cn[nH]n1 887142349 583505739 /nfs/dbraw/zinc/50/57/39/583505739.db2.gz GPBDMQFAFOPIOV-UHFFFAOYSA-N 0 3 186.234 0.639 20 0 ACADHN CN(CCCF)C[C@H]1CCC(=O)O1 887142765 583505799 /nfs/dbraw/zinc/50/57/99/583505799.db2.gz ZANDKMFCVWGLQZ-MRVPVSSYSA-N 0 3 189.230 0.983 20 0 ACADHN CN(CCCF)C[C@@H]1CCC(=O)N1 887142547 583506356 /nfs/dbraw/zinc/50/63/56/583506356.db2.gz PBDDFIDGMBGQFV-QMMMGPOBSA-N 0 3 188.246 0.556 20 0 ACADHN CN(CCCF)C[C@@H]1CCC(=O)O1 887142766 583506632 /nfs/dbraw/zinc/50/66/32/583506632.db2.gz ZANDKMFCVWGLQZ-QMMMGPOBSA-N 0 3 189.230 0.983 20 0 ACADHN CCN(CCNC(=O)OC)C1CC1 221951254 583507036 /nfs/dbraw/zinc/50/70/36/583507036.db2.gz JYHRWPBNBCERQN-UHFFFAOYSA-N 0 3 186.255 0.827 20 0 ACADHN C[C@H](NCCN(C)C)c1ncc[nH]1 222071566 583507317 /nfs/dbraw/zinc/50/73/17/583507317.db2.gz NBYPSJCBFMWZEE-QMMMGPOBSA-N 0 3 182.271 0.622 20 0 ACADHN OCCCCCNCc1cnccn1 107786305 583513451 /nfs/dbraw/zinc/51/34/51/583513451.db2.gz VOECXHJEJMVCTR-UHFFFAOYSA-N 0 3 195.266 0.729 20 0 ACADHN CN(CC(=O)[O-])C[C@]1(C)CC[NH2+]C1 1598412064 991736927 /nfs/dbraw/zinc/73/69/27/991736927.db2.gz YEIBZIPAUMDCQT-SECBINFHSA-N 0 3 186.255 0.002 20 0 ACADHN CN(CC(=O)[O-])C[C@@]1(C)CC[NH2+]C1 1598412065 991737300 /nfs/dbraw/zinc/73/73/00/991737300.db2.gz YEIBZIPAUMDCQT-VIFPVBQESA-N 0 3 186.255 0.002 20 0 ACADHN CC(C)C[C@@H](N)C[N@H+](C)CC(=O)[O-] 1591162430 991921799 /nfs/dbraw/zinc/92/17/99/991921799.db2.gz SSZVIQVEUPHCAG-MRVPVSSYSA-N 0 3 188.271 0.376 20 0 ACADHN CC(C)C[C@@H](N)C[N@@H+](C)CC(=O)[O-] 1591162430 991921807 /nfs/dbraw/zinc/92/18/07/991921807.db2.gz SSZVIQVEUPHCAG-MRVPVSSYSA-N 0 3 188.271 0.376 20 0 ACADHN CC(C)C[C@H](N)C[N@H+](C)CC(=O)[O-] 1591162431 991922327 /nfs/dbraw/zinc/92/23/27/991922327.db2.gz SSZVIQVEUPHCAG-QMMMGPOBSA-N 0 3 188.271 0.376 20 0 ACADHN CC(C)C[C@H](N)C[N@@H+](C)CC(=O)[O-] 1591162431 991922333 /nfs/dbraw/zinc/92/23/33/991922333.db2.gz SSZVIQVEUPHCAG-QMMMGPOBSA-N 0 3 188.271 0.376 20 0 ACADHN CC[C@H](C)[C@H](C)NC(=O)[C@@H](C)N 42477004 490015196 /nfs/dbraw/zinc/01/51/96/490015196.db2.gz NQKMWGUKWOJLQG-RNJXMRFFSA-N 0 3 172.272 0.884 20 0 ACADHN CC[C@@H](C)[C@H](C)NC(=O)[C@@H](C)N 42477002 490015255 /nfs/dbraw/zinc/01/52/55/490015255.db2.gz NQKMWGUKWOJLQG-PRJMDXOYSA-N 0 3 172.272 0.884 20 0 ACADHN CC[C@@H](C)[C@@H](C)NC(=O)[C@@H](C)N 42476998 490015364 /nfs/dbraw/zinc/01/53/64/490015364.db2.gz NQKMWGUKWOJLQG-BWZBUEFSSA-N 0 3 172.272 0.884 20 0 ACADHN CC[C@H](C)[C@@H](C)NC(=O)[C@@H](C)N 42477000 490015371 /nfs/dbraw/zinc/01/53/71/490015371.db2.gz NQKMWGUKWOJLQG-XLPZGREQSA-N 0 3 172.272 0.884 20 0 ACADHN Cc1cccc(CCNC(=O)CN)c1 51670820 490015896 /nfs/dbraw/zinc/01/58/96/490015896.db2.gz OBMNKCRONQYFCY-UHFFFAOYSA-N 0 3 192.262 0.612 20 0 ACADHN CCc1ccc(CNCCO)o1 51722074 490015971 /nfs/dbraw/zinc/01/59/71/490015971.db2.gz WWCRAGXEPCHSKG-UHFFFAOYSA-N 0 3 169.224 0.924 20 0 ACADHN CNCC(=O)N1CC[C@@H](C)C[C@H]1C 51732968 490015990 /nfs/dbraw/zinc/01/59/90/490015990.db2.gz GFNAUBDRHBEKPC-RKDXNWHRSA-N 0 3 184.283 0.853 20 0 ACADHN Cn1nccc1CNC[C@H](O)C1CC1 70881756 490017483 /nfs/dbraw/zinc/01/74/83/490017483.db2.gz FVSWLZXETLRLTO-JTQLQIEISA-N 0 3 195.266 0.281 20 0 ACADHN Cn1nccc1CNC[C@@H](O)C1CC1 70881760 490017632 /nfs/dbraw/zinc/01/76/32/490017632.db2.gz FVSWLZXETLRLTO-SNVBAGLBSA-N 0 3 195.266 0.281 20 0 ACADHN Cn1nccc1CNCCCCCO 70904765 490018008 /nfs/dbraw/zinc/01/80/08/490018008.db2.gz FEBLELJAIKXQBK-UHFFFAOYSA-N 0 3 197.282 0.672 20 0 ACADHN CC[C@](C)(CO)NCc1ccnn1C 70898438 490018155 /nfs/dbraw/zinc/01/81/55/490018155.db2.gz MKWOKCBBNXOEHH-SNVBAGLBSA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@@](C)(CO)NCc1ccnn1C 70898434 490018164 /nfs/dbraw/zinc/01/81/64/490018164.db2.gz MKWOKCBBNXOEHH-JTQLQIEISA-N 0 3 197.282 0.671 20 0 ACADHN CC(C)OCCNCc1ccnn1C 70904649 490018300 /nfs/dbraw/zinc/01/83/00/490018300.db2.gz DSXVJBHHDGMLOZ-UHFFFAOYSA-N 0 3 197.282 0.935 20 0 ACADHN Cc1n[nH]cc1CN[C@H]1CCOC1 70967956 490019137 /nfs/dbraw/zinc/01/91/37/490019137.db2.gz WPMYTLLSVPNTTO-VIFPVBQESA-N 0 3 181.239 0.597 20 0 ACADHN Cc1cccnc1CNCCC(N)=O 71340089 490020300 /nfs/dbraw/zinc/02/03/00/490020300.db2.gz NGQHMATWXGNLQX-UHFFFAOYSA-N 0 3 193.250 0.355 20 0 ACADHN CN(C)CCSc1c[nH]nn1 72263017 490020497 /nfs/dbraw/zinc/02/04/97/490020497.db2.gz ZVKHNYREKJUXDR-UHFFFAOYSA-N 0 3 172.257 0.458 20 0 ACADHN CN(C)CCSc1cn[nH]n1 72263017 490020499 /nfs/dbraw/zinc/02/04/99/490020499.db2.gz ZVKHNYREKJUXDR-UHFFFAOYSA-N 0 3 172.257 0.458 20 0 ACADHN Cc1ncoc1C(=O)NCCN(C)C 74686194 490020936 /nfs/dbraw/zinc/02/09/36/490020936.db2.gz FXZYLBOJEJLVDP-UHFFFAOYSA-N 0 3 197.238 0.274 20 0 ACADHN CN(C)CCNC(=O)Cc1ccco1 74696794 490020944 /nfs/dbraw/zinc/02/09/44/490020944.db2.gz QKKZEVMQGOJKCD-UHFFFAOYSA-N 0 3 196.250 0.500 20 0 ACADHN Cc1[nH]ccc1C(=O)NCCN(C)C 74716758 490021310 /nfs/dbraw/zinc/02/13/10/490021310.db2.gz VJSJKHHNQMDVQA-UHFFFAOYSA-N 0 3 195.266 0.615 20 0 ACADHN CN(C)CCNC(=O)c1nccs1 74717032 490021717 /nfs/dbraw/zinc/02/17/17/490021717.db2.gz MSWGVVVBQMXPOR-UHFFFAOYSA-N 0 3 199.279 0.435 20 0 ACADHN Cc1n[nH]c(C)c1CN[C@H]1CCOC1 75122411 490022373 /nfs/dbraw/zinc/02/23/73/490022373.db2.gz MPVWPFLRCUPKRW-VIFPVBQESA-N 0 3 195.266 0.905 20 0 ACADHN CN(C)CCNC(=O)c1ccn(C)c1 74949648 490022505 /nfs/dbraw/zinc/02/25/05/490022505.db2.gz QCDJRZKVDPXISJ-UHFFFAOYSA-N 0 3 195.266 0.317 20 0 ACADHN CCCN(CC(C)C)C(=O)CN 76580296 490023134 /nfs/dbraw/zinc/02/31/34/490023134.db2.gz STUBZWNWIYDDKS-UHFFFAOYSA-N 0 3 172.272 0.840 20 0 ACADHN CN(CCO)Cc1cccc(O)c1 77253436 490023196 /nfs/dbraw/zinc/02/31/96/490023196.db2.gz GVZHDWQRZMJHOT-UHFFFAOYSA-N 0 3 181.235 0.816 20 0 ACADHN CNCC(=O)N(C)C(C)(C)C 77261167 490023542 /nfs/dbraw/zinc/02/35/42/490023542.db2.gz QXSYTKDTKOPQBJ-UHFFFAOYSA-N 0 3 158.245 0.463 20 0 ACADHN CN(CCO)Cc1ccc(O)cc1 77253373 490023687 /nfs/dbraw/zinc/02/36/87/490023687.db2.gz XFTMWKDTZZICNU-UHFFFAOYSA-N 0 3 181.235 0.816 20 0 ACADHN C[C@@H](CS(C)(=O)=O)NCC1CC1 78639612 490024748 /nfs/dbraw/zinc/02/47/48/490024748.db2.gz VGQMOZWCKVOIHH-ZETCQYMHSA-N 0 3 191.296 0.419 20 0 ACADHN C[C@H](CS(C)(=O)=O)NCC1CC1 78639615 490024792 /nfs/dbraw/zinc/02/47/92/490024792.db2.gz VGQMOZWCKVOIHH-SSDOTTSWSA-N 0 3 191.296 0.419 20 0 ACADHN Cc1nn(C)cc1CN[C@H](C)CCO 123842699 490028310 /nfs/dbraw/zinc/02/83/10/490028310.db2.gz PRLBJVYNZWYEHH-MRVPVSSYSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1c(CN[C@@H](C)CCO)cnn1C 123843707 490028742 /nfs/dbraw/zinc/02/87/42/490028742.db2.gz OQMDFQSPZQZYTO-QMMMGPOBSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1nn(C)cc1CN[C@@H](C)CCO 123842474 490028802 /nfs/dbraw/zinc/02/88/02/490028802.db2.gz PRLBJVYNZWYEHH-QMMMGPOBSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1c(CN[C@H](C)CCO)cnn1C 123843858 490028820 /nfs/dbraw/zinc/02/88/20/490028820.db2.gz OQMDFQSPZQZYTO-MRVPVSSYSA-N 0 3 197.282 0.589 20 0 ACADHN CCc1nn(C)cc1CN[C@@H](C)CO 124041879 490029114 /nfs/dbraw/zinc/02/91/14/490029114.db2.gz MCIHFYCCYHIRHX-QMMMGPOBSA-N 0 3 197.282 0.453 20 0 ACADHN CCc1nn(C)cc1CN[C@H](C)CO 124042055 490029163 /nfs/dbraw/zinc/02/91/63/490029163.db2.gz MCIHFYCCYHIRHX-MRVPVSSYSA-N 0 3 197.282 0.453 20 0 ACADHN C[C@H](CO)N(C)CCc1ccccn1 124691235 490032187 /nfs/dbraw/zinc/03/21/87/490032187.db2.gz CUSVTPQWVDIWDV-SNVBAGLBSA-N 0 3 194.278 0.937 20 0 ACADHN Cn1ccc(CNCCCCCO)n1 124737191 490032322 /nfs/dbraw/zinc/03/23/22/490032322.db2.gz WZHXGPPYUDMCQU-UHFFFAOYSA-N 0 3 197.282 0.672 20 0 ACADHN CN[C@@H](C)C(=O)NC(C)(C)COC 125401034 490033561 /nfs/dbraw/zinc/03/35/61/490033561.db2.gz DNPVAGJRTIZNTR-ZETCQYMHSA-N 0 3 188.271 0.136 20 0 ACADHN Cc1nn(C)cc1CNCCCO 125918803 490035015 /nfs/dbraw/zinc/03/50/15/490035015.db2.gz MTXWIPQYMKSNAD-UHFFFAOYSA-N 0 3 183.255 0.201 20 0 ACADHN COC[C@@H](C)NCc1cn(C)nc1C 125910770 490035106 /nfs/dbraw/zinc/03/51/06/490035106.db2.gz KKIVTRSAFOVNBL-MRVPVSSYSA-N 0 3 197.282 0.853 20 0 ACADHN CC[C@H](CO)NCc1cn(C)nc1C 125919403 490035150 /nfs/dbraw/zinc/03/51/50/490035150.db2.gz JDTNJQOKIPLZQG-SNVBAGLBSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1nn(C)cc1CNC[C@@H](C)O 125908538 490035208 /nfs/dbraw/zinc/03/52/08/490035208.db2.gz QYPXTICLCJSNRG-SSDOTTSWSA-N 0 3 183.255 0.199 20 0 ACADHN COC[C@H](C)NCc1cn(C)nc1C 125910569 490035337 /nfs/dbraw/zinc/03/53/37/490035337.db2.gz KKIVTRSAFOVNBL-QMMMGPOBSA-N 0 3 197.282 0.853 20 0 ACADHN CC[C@@H](CO)NCc1cn(C)nc1C 125919254 490035369 /nfs/dbraw/zinc/03/53/69/490035369.db2.gz JDTNJQOKIPLZQG-JTQLQIEISA-N 0 3 197.282 0.589 20 0 ACADHN Cc1nn(C)cc1CNC[C@H](C)O 125908741 490035431 /nfs/dbraw/zinc/03/54/31/490035431.db2.gz QYPXTICLCJSNRG-ZETCQYMHSA-N 0 3 183.255 0.199 20 0 ACADHN Cc1nn(C)cc1CNC[C@@H](C)CO 125995617 490035826 /nfs/dbraw/zinc/03/58/26/490035826.db2.gz WHTZPLUMFVSJHX-MRVPVSSYSA-N 0 3 197.282 0.447 20 0 ACADHN Cc1nn(C)cc1CN[C@H](C)CO 126061778 490035879 /nfs/dbraw/zinc/03/58/79/490035879.db2.gz IIGPWXIPTBZCEZ-SSDOTTSWSA-N 0 3 183.255 0.199 20 0 ACADHN Cc1nn(C)cc1CN[C@@H](C)CO 126061546 490035925 /nfs/dbraw/zinc/03/59/25/490035925.db2.gz IIGPWXIPTBZCEZ-ZETCQYMHSA-N 0 3 183.255 0.199 20 0 ACADHN Cc1nn(C)cc1CN[C@@H]1CCOC1 126082516 490035953 /nfs/dbraw/zinc/03/59/53/490035953.db2.gz AQVGLUNDZSOBLM-SNVBAGLBSA-N 0 3 195.266 0.607 20 0 ACADHN CCn1nccc1CN[C@@H](C)CO 125974392 490035961 /nfs/dbraw/zinc/03/59/61/490035961.db2.gz HEKZOUVDSPPMTL-QMMMGPOBSA-N 0 3 183.255 0.373 20 0 ACADHN Cc1nn(C)cc1CNC[C@H](C)CO 125995847 490035991 /nfs/dbraw/zinc/03/59/91/490035991.db2.gz WHTZPLUMFVSJHX-QMMMGPOBSA-N 0 3 197.282 0.447 20 0 ACADHN CCOCCNCc1cn(C)nc1C 125969803 490036025 /nfs/dbraw/zinc/03/60/25/490036025.db2.gz MNWFXSYACCZZNJ-UHFFFAOYSA-N 0 3 197.282 0.855 20 0 ACADHN Cc1nn(C)cc1CNCC[C@H](C)O 126044679 490036036 /nfs/dbraw/zinc/03/60/36/490036036.db2.gz XNYYEUHMCWORCG-QMMMGPOBSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1nn(C)cc1CN[C@H]1CCOC1 126082736 490036062 /nfs/dbraw/zinc/03/60/62/490036062.db2.gz AQVGLUNDZSOBLM-JTQLQIEISA-N 0 3 195.266 0.607 20 0 ACADHN Cc1nn(C)cc1CNCC(C)(C)O 126035941 490036071 /nfs/dbraw/zinc/03/60/71/490036071.db2.gz GHJYMKXOVPEXDO-UHFFFAOYSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1nn(C)cc1CNC(C)(C)CO 126036205 490036094 /nfs/dbraw/zinc/03/60/94/490036094.db2.gz QNWLVPDXBQHZLS-UHFFFAOYSA-N 0 3 197.282 0.589 20 0 ACADHN CC(C)[C@H](N)C(=O)N1CC=CCC1 126208029 490036625 /nfs/dbraw/zinc/03/66/25/490036625.db2.gz VTCDHHFAENBMOK-VIFPVBQESA-N 0 3 182.267 0.758 20 0 ACADHN CN[C@@H](C)C(=O)N1C[C@H]2CCC[C@@H]2C1 126207954 490036708 /nfs/dbraw/zinc/03/67/08/490036708.db2.gz YOZRHXPWXBQBAS-IVZWLZJFSA-N 0 3 196.294 0.853 20 0 ACADHN O[C@]1(CNCc2ccco2)CCOC1 126177401 490036723 /nfs/dbraw/zinc/03/67/23/490036723.db2.gz JCXKAKVFXOYEAW-JTQLQIEISA-N 0 3 197.234 0.521 20 0 ACADHN CN[C@H](C)C(=O)N1C[C@H]2CCC[C@H]2C1 126207768 490036832 /nfs/dbraw/zinc/03/68/32/490036832.db2.gz YOZRHXPWXBQBAS-BBBLOLIVSA-N 0 3 196.294 0.853 20 0 ACADHN O[C@@]1(CNCc2ccco2)CCOC1 126177211 490036956 /nfs/dbraw/zinc/03/69/56/490036956.db2.gz JCXKAKVFXOYEAW-SNVBAGLBSA-N 0 3 197.234 0.521 20 0 ACADHN CN[C@H](C)C(=O)N1C[C@H]2CCC[C@@H]2C1 126208176 490036983 /nfs/dbraw/zinc/03/69/83/490036983.db2.gz YOZRHXPWXBQBAS-OPRDCNLKSA-N 0 3 196.294 0.853 20 0 ACADHN CN[C@@H](C)C(=O)N1C[C@H]2CCC[C@H]2C1 126207639 490037034 /nfs/dbraw/zinc/03/70/34/490037034.db2.gz YOZRHXPWXBQBAS-LPEHRKFASA-N 0 3 196.294 0.853 20 0 ACADHN CCn1nccc1CN[C@H](C)CCO 126696151 490037830 /nfs/dbraw/zinc/03/78/30/490037830.db2.gz AJKZXGXNWFZOIP-SECBINFHSA-N 0 3 197.282 0.764 20 0 ACADHN C[C@@H](NCCO)c1cccc(CO)c1 126825334 490039194 /nfs/dbraw/zinc/03/91/94/490039194.db2.gz JAJDOVNROJSNIR-SECBINFHSA-N 0 3 195.262 0.822 20 0 ACADHN C[C@H](NCCO)c1cccc(CO)c1 126825105 490039343 /nfs/dbraw/zinc/03/93/43/490039343.db2.gz JAJDOVNROJSNIR-VIFPVBQESA-N 0 3 195.262 0.822 20 0 ACADHN CCN(C)C(=O)NCCN(C)C 126876025 490040343 /nfs/dbraw/zinc/04/03/43/490040343.db2.gz GCMBGNVPIKOCEU-UHFFFAOYSA-N 0 3 173.260 0.209 20 0 ACADHN COC[C@H](O)CNCc1occc1C 126897226 490040526 /nfs/dbraw/zinc/04/05/26/490040526.db2.gz XMDBVSOIZSTZQV-SECBINFHSA-N 0 3 199.250 0.685 20 0 ACADHN C[C@@H](NCc1c[nH]cn1)[C@@H]1CCOC1 127053452 490041017 /nfs/dbraw/zinc/04/10/17/490041017.db2.gz BUZKHTGMPBBDAU-RKDXNWHRSA-N 0 3 195.266 0.924 20 0 ACADHN C[C@H](NCc1c[nH]cn1)[C@@H]1CCOC1 127053211 490041476 /nfs/dbraw/zinc/04/14/76/490041476.db2.gz BUZKHTGMPBBDAU-DTWKUNHWSA-N 0 3 195.266 0.924 20 0 ACADHN C[C@H](NCc1c[nH]cn1)[C@H]1CCOC1 127053713 490041568 /nfs/dbraw/zinc/04/15/68/490041568.db2.gz BUZKHTGMPBBDAU-IUCAKERBSA-N 0 3 195.266 0.924 20 0 ACADHN C[C@@H](NCc1c[nH]cn1)[C@H]1CCOC1 127053960 490041618 /nfs/dbraw/zinc/04/16/18/490041618.db2.gz BUZKHTGMPBBDAU-BDAKNGLRSA-N 0 3 195.266 0.924 20 0 ACADHN COC[C@H](O)CCNCc1ccco1 127474156 490041969 /nfs/dbraw/zinc/04/19/69/490041969.db2.gz URSDCUMUVZBJBY-SECBINFHSA-N 0 3 199.250 0.767 20 0 ACADHN CCN(C)C(=O)N(C)CCN(C)C 127394476 490041979 /nfs/dbraw/zinc/04/19/79/490041979.db2.gz AZQBHLLOLFOWIS-UHFFFAOYSA-N 0 3 187.287 0.552 20 0 ACADHN COC[C@@H](O)CCNCc1ccco1 127474395 490041999 /nfs/dbraw/zinc/04/19/99/490041999.db2.gz URSDCUMUVZBJBY-VIFPVBQESA-N 0 3 199.250 0.767 20 0 ACADHN CC(C)NCC(=O)N(C)C1CCC1 127418849 490042333 /nfs/dbraw/zinc/04/23/33/490042333.db2.gz XGWCVOICSUTEOO-UHFFFAOYSA-N 0 3 184.283 0.995 20 0 ACADHN CN[C@@H](C)C(=O)N(C)C1CCC1 127411842 490042501 /nfs/dbraw/zinc/04/25/01/490042501.db2.gz OTPXMNHQZIXNMN-ZETCQYMHSA-N 0 3 170.256 0.605 20 0 ACADHN CCN(C)C(=O)N[C@@H](C)CN(C)C 127667203 490043047 /nfs/dbraw/zinc/04/30/47/490043047.db2.gz AYNRCEZWXMJJAR-QMMMGPOBSA-N 0 3 187.287 0.598 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)N(C)C 127665313 490043115 /nfs/dbraw/zinc/04/31/15/490043115.db2.gz FAACCFCHBWOASS-ZETCQYMHSA-N 0 3 173.260 0.208 20 0 ACADHN CC(C)NC(=O)N[C@@H](C)CN(C)C 127661140 490043149 /nfs/dbraw/zinc/04/31/49/490043149.db2.gz MYJOXSSNURHIEL-QMMMGPOBSA-N 0 3 187.287 0.644 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)NC1CC1 127661583 490043160 /nfs/dbraw/zinc/04/31/60/490043160.db2.gz SYVLGFMARJSQEU-ZETCQYMHSA-N 0 3 185.271 0.398 20 0 ACADHN CCNC(=O)N[C@@H](C)CN(C)C 127664460 490043169 /nfs/dbraw/zinc/04/31/69/490043169.db2.gz JQCUBTLGTJVIDT-ZETCQYMHSA-N 0 3 173.260 0.256 20 0 ACADHN CCCNC(=O)N[C@@H](C)CN(C)C 127660697 490043205 /nfs/dbraw/zinc/04/32/05/490043205.db2.gz FCHNNZHYZAZLGD-QMMMGPOBSA-N 0 3 187.287 0.646 20 0 ACADHN CCN(CCO)Cc1cnc[nH]1 127959414 490043895 /nfs/dbraw/zinc/04/38/95/490043895.db2.gz OOGDGPZPOTYBRH-UHFFFAOYSA-N 0 3 169.228 0.224 20 0 ACADHN CCN(CCO)CC1=CCCOC1 127969863 490044069 /nfs/dbraw/zinc/04/40/69/490044069.db2.gz OTZKWVVCQCFOPT-UHFFFAOYSA-N 0 3 185.267 0.647 20 0 ACADHN COCc1ccc(CNC[C@H](C)O)o1 128212164 490044080 /nfs/dbraw/zinc/04/40/80/490044080.db2.gz XILLSRQGPDKKSY-QMMMGPOBSA-N 0 3 199.250 0.896 20 0 ACADHN CCCN(CCO)Cc1cnc[nH]1 128031837 490044164 /nfs/dbraw/zinc/04/41/64/490044164.db2.gz BEVYSAYUSASMID-UHFFFAOYSA-N 0 3 183.255 0.614 20 0 ACADHN CN(CCO)Cc1ccn(C)c1 127915425 490044326 /nfs/dbraw/zinc/04/43/26/490044326.db2.gz VEWWAQCFTIXXGX-UHFFFAOYSA-N 0 3 168.240 0.449 20 0 ACADHN Cn1ccc(CN(CCO)C2CC2)c1 128119579 490044342 /nfs/dbraw/zinc/04/43/42/490044342.db2.gz JHRNMCYPIGIPKW-UHFFFAOYSA-N 0 3 194.278 0.982 20 0 ACADHN OCCN(CC1=CCCOC1)C1CC1 128126112 490044443 /nfs/dbraw/zinc/04/44/43/490044443.db2.gz ZNDYPQAGPJFXAB-UHFFFAOYSA-N 0 3 197.278 0.790 20 0 ACADHN CCN(CCO)Cc1ccn(C)c1 127957694 490044459 /nfs/dbraw/zinc/04/44/59/490044459.db2.gz XAIKGTRGNZWCCU-UHFFFAOYSA-N 0 3 182.267 0.839 20 0 ACADHN CC(C)N(CCO)Cc1cnc[nH]1 128047967 490044550 /nfs/dbraw/zinc/04/45/50/490044550.db2.gz STOANKVYMKNMJU-UHFFFAOYSA-N 0 3 183.255 0.612 20 0 ACADHN C[C@@H](O)CCN(C)Cc1cnc[nH]1 128433045 490045448 /nfs/dbraw/zinc/04/54/48/490045448.db2.gz CAABBNINKCPRME-MRVPVSSYSA-N 0 3 183.255 0.612 20 0 ACADHN OCCN(Cc1cnc[nH]1)CC1CC1 128346940 490045471 /nfs/dbraw/zinc/04/54/71/490045471.db2.gz IMQDKTDJDKUSLF-UHFFFAOYSA-N 0 3 195.266 0.614 20 0 ACADHN COCc1ccc(CNC[C@@H](C)O)o1 128231420 490045549 /nfs/dbraw/zinc/04/55/49/490045549.db2.gz XILLSRQGPDKKSY-MRVPVSSYSA-N 0 3 199.250 0.896 20 0 ACADHN C[C@H](O)CCN(C)Cc1cnc[nH]1 128432815 490045802 /nfs/dbraw/zinc/04/58/02/490045802.db2.gz CAABBNINKCPRME-QMMMGPOBSA-N 0 3 183.255 0.612 20 0 ACADHN CC(C)NC(=O)N(C)CCN(C)C 128817460 490046118 /nfs/dbraw/zinc/04/61/18/490046118.db2.gz COBCBVCYLUCZFB-UHFFFAOYSA-N 0 3 187.287 0.598 20 0 ACADHN Cn1nccc1CNCC1(O)CCC1 128846959 490046202 /nfs/dbraw/zinc/04/62/02/490046202.db2.gz PFNLBJBYOFMAFX-UHFFFAOYSA-N 0 3 195.266 0.425 20 0 ACADHN CCC[C@@H](O)CNCc1ccnn1C 128848569 490046263 /nfs/dbraw/zinc/04/62/63/490046263.db2.gz DJRXPMCJSDZYQK-SNVBAGLBSA-N 0 3 197.282 0.671 20 0 ACADHN CC(C)[C@H](O)CNCc1ccnn1C 128849097 490046274 /nfs/dbraw/zinc/04/62/74/490046274.db2.gz SBBUPYSJTRVPBB-SNVBAGLBSA-N 0 3 197.282 0.527 20 0 ACADHN CCc1nn(C)cc1CNC[C@H](C)O 128750817 490046348 /nfs/dbraw/zinc/04/63/48/490046348.db2.gz UXXOWOCOCQHZLV-QMMMGPOBSA-N 0 3 197.282 0.453 20 0 ACADHN CC[C@H](CCO)NCc1ccnn1C 128853824 490046385 /nfs/dbraw/zinc/04/63/85/490046385.db2.gz FUMATCUZJODZFC-SECBINFHSA-N 0 3 197.282 0.671 20 0 ACADHN CC(C)[C@@H](O)CNCc1ccnn1C 128849334 490046434 /nfs/dbraw/zinc/04/64/34/490046434.db2.gz SBBUPYSJTRVPBB-JTQLQIEISA-N 0 3 197.282 0.527 20 0 ACADHN CC[C@@H](CCO)NCc1ccnn1C 128853624 490046536 /nfs/dbraw/zinc/04/65/36/490046536.db2.gz FUMATCUZJODZFC-VIFPVBQESA-N 0 3 197.282 0.671 20 0 ACADHN CCNC(=O)N(C)CCN(C)C 128817229 490046583 /nfs/dbraw/zinc/04/65/83/490046583.db2.gz BLACHFOJGFLILZ-UHFFFAOYSA-N 0 3 173.260 0.209 20 0 ACADHN Cn1nccc1CNC(C)(C)CCO 128855950 490046624 /nfs/dbraw/zinc/04/66/24/490046624.db2.gz BSIQAJXYYJZXOL-UHFFFAOYSA-N 0 3 197.282 0.671 20 0 ACADHN CCC[C@H](O)CNCc1ccnn1C 128848374 490046664 /nfs/dbraw/zinc/04/66/64/490046664.db2.gz DJRXPMCJSDZYQK-JTQLQIEISA-N 0 3 197.282 0.671 20 0 ACADHN CCc1nn(C)cc1CNC[C@@H](C)O 128751035 490046678 /nfs/dbraw/zinc/04/66/78/490046678.db2.gz UXXOWOCOCQHZLV-MRVPVSSYSA-N 0 3 197.282 0.453 20 0 ACADHN CN(C)CCN(C)C(=O)N(C)C 128917290 490047047 /nfs/dbraw/zinc/04/70/47/490047047.db2.gz PZIINKKAGFZIRH-UHFFFAOYSA-N 0 3 173.260 0.161 20 0 ACADHN C[C@@H](CC(N)=O)NCc1ccoc1 129297757 490049391 /nfs/dbraw/zinc/04/93/91/490049391.db2.gz ZUKCCEYWXKWZQM-ZETCQYMHSA-N 0 3 182.223 0.633 20 0 ACADHN C[C@H](CC(N)=O)NCc1ccoc1 129297991 490049400 /nfs/dbraw/zinc/04/94/00/490049400.db2.gz ZUKCCEYWXKWZQM-SSDOTTSWSA-N 0 3 182.223 0.633 20 0 ACADHN Cc1n[nH]cc1CN[C@H](C)CC(N)=O 129453937 490050875 /nfs/dbraw/zinc/05/08/75/490050875.db2.gz AEIYFZXVJAEPAU-ZCFIWIBFSA-N 0 3 196.254 0.072 20 0 ACADHN C[C@@H](CC(N)=O)NCc1cccn1C 129482319 490050887 /nfs/dbraw/zinc/05/08/87/490050887.db2.gz OFJMISSURKAQBK-QMMMGPOBSA-N 0 3 195.266 0.379 20 0 ACADHN C[C@@H](CC(N)=O)NCCC(F)(F)F 129472743 490051112 /nfs/dbraw/zinc/05/11/12/490051112.db2.gz VFBKABZKTQDCFF-YFKPBYRVSA-N 0 3 198.188 0.792 20 0 ACADHN Cc1n[nH]cc1CN[C@@H](C)CC(N)=O 129453721 490051202 /nfs/dbraw/zinc/05/12/02/490051202.db2.gz AEIYFZXVJAEPAU-LURJTMIESA-N 0 3 196.254 0.072 20 0 ACADHN C[C@H](CC(N)=O)NCc1cccn1C 129482549 490051237 /nfs/dbraw/zinc/05/12/37/490051237.db2.gz OFJMISSURKAQBK-MRVPVSSYSA-N 0 3 195.266 0.379 20 0 ACADHN C[C@H](CC(N)=O)NCCC(F)(F)F 129472960 490051273 /nfs/dbraw/zinc/05/12/73/490051273.db2.gz VFBKABZKTQDCFF-RXMQYKEDSA-N 0 3 198.188 0.792 20 0 ACADHN CCCNCc1cnnn1C 129672829 490051870 /nfs/dbraw/zinc/05/18/70/490051870.db2.gz OXZAFLDUXPWYPP-UHFFFAOYSA-N 0 3 154.217 0.315 20 0 ACADHN C[C@@H](CC(N)=O)NCc1ccn(C)c1 129487936 490052332 /nfs/dbraw/zinc/05/23/32/490052332.db2.gz YAECKXWRWWMGRI-QMMMGPOBSA-N 0 3 195.266 0.379 20 0 ACADHN CCOCCCNCc1cnnn1C 129672606 490052373 /nfs/dbraw/zinc/05/23/73/490052373.db2.gz UKYBBCAEXLYQFD-UHFFFAOYSA-N 0 3 198.270 0.331 20 0 ACADHN CC(C)CNCc1cnnn1C 129676974 490052388 /nfs/dbraw/zinc/05/23/88/490052388.db2.gz OQSBNSATICXVCF-UHFFFAOYSA-N 0 3 168.244 0.561 20 0 ACADHN C[C@H](CC(N)=O)NCc1ccn(C)c1 129488175 490052393 /nfs/dbraw/zinc/05/23/93/490052393.db2.gz YAECKXWRWWMGRI-MRVPVSSYSA-N 0 3 195.266 0.379 20 0 ACADHN CCCCNCc1cnnn1C 129677186 490052496 /nfs/dbraw/zinc/05/24/96/490052496.db2.gz SZHRHUFOGPXTFZ-UHFFFAOYSA-N 0 3 168.244 0.705 20 0 ACADHN C[C@H](NCc1cnnn1C)C1CC1 129695767 490052772 /nfs/dbraw/zinc/05/27/72/490052772.db2.gz WFSAXPZMUNPJLT-ZETCQYMHSA-N 0 3 180.255 0.703 20 0 ACADHN Cn1nncc1CNCC(C)(C)C 129727462 490052801 /nfs/dbraw/zinc/05/28/01/490052801.db2.gz JNFZWGOLPLRWMY-UHFFFAOYSA-N 0 3 182.271 0.951 20 0 ACADHN CC[C@H](CCO)NCc1cnnn1C 129778326 490053188 /nfs/dbraw/zinc/05/31/88/490053188.db2.gz HIHWNFGQUVFCQO-MRVPVSSYSA-N 0 3 198.270 0.066 20 0 ACADHN CC[C@@H](COC)NCc1cnnn1C 129775486 490052835 /nfs/dbraw/zinc/05/28/35/490052835.db2.gz RYFZWYIYNMEJQX-QMMMGPOBSA-N 0 3 198.270 0.330 20 0 ACADHN CC(C)[C@H](C)NCc1cnnn1C 129694164 490052959 /nfs/dbraw/zinc/05/29/59/490052959.db2.gz PPDKOSJWSDURCL-QMMMGPOBSA-N 0 3 182.271 0.949 20 0 ACADHN Cn1nncc1CNC[C@@H]1CCCO1 129686655 490052986 /nfs/dbraw/zinc/05/29/86/490052986.db2.gz CILXZNFVKLGYGH-VIFPVBQESA-N 0 3 196.254 0.084 20 0 ACADHN C[C@@H]1C[C@H]1CNCc1cnnn1C 129712729 490053009 /nfs/dbraw/zinc/05/30/09/490053009.db2.gz DZOLCBURYMXLQS-SFYZADRCSA-N 0 3 180.255 0.561 20 0 ACADHN Cn1nncc1CNCC1CCC1 129732669 490053020 /nfs/dbraw/zinc/05/30/20/490053020.db2.gz CNJZTSHOVVSLTD-UHFFFAOYSA-N 0 3 180.255 0.705 20 0 ACADHN C[C@H]1C[C@H]1CNCc1cnnn1C 129712974 490053036 /nfs/dbraw/zinc/05/30/36/490053036.db2.gz DZOLCBURYMXLQS-YUMQZZPRSA-N 0 3 180.255 0.561 20 0 ACADHN CC[C@@H](C)NCc1cnnn1C 129683657 490053046 /nfs/dbraw/zinc/05/30/46/490053046.db2.gz TZZUHQLLVVRPOU-SSDOTTSWSA-N 0 3 168.244 0.703 20 0 ACADHN CC[C@H](COC)NCc1cnnn1C 129775716 490053052 /nfs/dbraw/zinc/05/30/52/490053052.db2.gz RYFZWYIYNMEJQX-MRVPVSSYSA-N 0 3 198.270 0.330 20 0 ACADHN CC(C)CCNCc1cnnn1C 129680995 490053067 /nfs/dbraw/zinc/05/30/67/490053067.db2.gz OFLVBLIOGDQMAI-UHFFFAOYSA-N 0 3 182.271 0.951 20 0 ACADHN COC[C@@H](C)CNCc1cnnn1C 129731974 490053077 /nfs/dbraw/zinc/05/30/77/490053077.db2.gz VRFWTNQJKLDZKM-QMMMGPOBSA-N 0 3 198.270 0.187 20 0 ACADHN COCCCCNCc1cnnn1C 129713622 490053095 /nfs/dbraw/zinc/05/30/95/490053095.db2.gz HXQCOPJTAHFSQU-UHFFFAOYSA-N 0 3 198.270 0.331 20 0 ACADHN C[C@@H](NCc1cnnn1C)C1CC1 129695986 490053178 /nfs/dbraw/zinc/05/31/78/490053178.db2.gz WFSAXPZMUNPJLT-SSDOTTSWSA-N 0 3 180.255 0.703 20 0 ACADHN C[C@H]1C[C@@H]1CNCc1cnnn1C 129712499 490053242 /nfs/dbraw/zinc/05/32/42/490053242.db2.gz DZOLCBURYMXLQS-JGVFFNPUSA-N 0 3 180.255 0.561 20 0 ACADHN C[C@H](CNCc1cnnn1C)C1CC1 129729252 490053272 /nfs/dbraw/zinc/05/32/72/490053272.db2.gz ZFOAHBHALDJIOV-MRVPVSSYSA-N 0 3 194.282 0.951 20 0 ACADHN CC(C)[C@@H](C)NCc1cnnn1C 129693976 490053287 /nfs/dbraw/zinc/05/32/87/490053287.db2.gz PPDKOSJWSDURCL-MRVPVSSYSA-N 0 3 182.271 0.949 20 0 ACADHN CC[C@H](C)NCc1cnnn1C 129683857 490053320 /nfs/dbraw/zinc/05/33/20/490053320.db2.gz TZZUHQLLVVRPOU-ZETCQYMHSA-N 0 3 168.244 0.703 20 0 ACADHN Cn1nncc1CNCC1CC1 129705944 490053361 /nfs/dbraw/zinc/05/33/61/490053361.db2.gz GZQCMYSSCOTLCB-UHFFFAOYSA-N 0 3 166.228 0.315 20 0 ACADHN COCC[C@H](C)NCc1cnnn1C 129739467 490053341 /nfs/dbraw/zinc/05/33/41/490053341.db2.gz XAJYKPIZBOYAFZ-QMMMGPOBSA-N 0 3 198.270 0.330 20 0 ACADHN CC[C@](C)(O)CNCc1cnnn1C 129755671 490053350 /nfs/dbraw/zinc/05/33/50/490053350.db2.gz OTPUJXSUKJKUEP-VIFPVBQESA-N 0 3 198.270 0.066 20 0 ACADHN C[C@@H](CNCc1cnnn1C)C1CC1 129729056 490053394 /nfs/dbraw/zinc/05/33/94/490053394.db2.gz ZFOAHBHALDJIOV-QMMMGPOBSA-N 0 3 194.282 0.951 20 0 ACADHN C[C@@H]1C[C@@H]1CNCc1cnnn1C 129712248 490053400 /nfs/dbraw/zinc/05/34/00/490053400.db2.gz DZOLCBURYMXLQS-HTQZYQBOSA-N 0 3 180.255 0.561 20 0 ACADHN COCC(C)(C)NCc1cnnn1C 129742313 490053441 /nfs/dbraw/zinc/05/34/41/490053441.db2.gz CJCUTPMHIADWJM-UHFFFAOYSA-N 0 3 198.270 0.330 20 0 ACADHN COC[C@H](C)CNCc1cnnn1C 129732187 490053447 /nfs/dbraw/zinc/05/34/47/490053447.db2.gz VRFWTNQJKLDZKM-MRVPVSSYSA-N 0 3 198.270 0.187 20 0 ACADHN CCC[C@@H](O)CNCc1cnnn1C 129760147 490053457 /nfs/dbraw/zinc/05/34/57/490053457.db2.gz OTKPUBFRTCBQPV-SECBINFHSA-N 0 3 198.270 0.066 20 0 ACADHN CC[C@@H](CCO)NCc1cnnn1C 129778104 490053468 /nfs/dbraw/zinc/05/34/68/490053468.db2.gz HIHWNFGQUVFCQO-QMMMGPOBSA-N 0 3 198.270 0.066 20 0 ACADHN CCC[C@H](O)CNCc1cnnn1C 129759950 490053489 /nfs/dbraw/zinc/05/34/89/490053489.db2.gz OTKPUBFRTCBQPV-VIFPVBQESA-N 0 3 198.270 0.066 20 0 ACADHN CC[C@@](C)(O)CNCc1cnnn1C 129755891 490053496 /nfs/dbraw/zinc/05/34/96/490053496.db2.gz OTPUJXSUKJKUEP-SECBINFHSA-N 0 3 198.270 0.066 20 0 ACADHN Cn1nncc1CNC[C@H]1CCCO1 129686872 490053509 /nfs/dbraw/zinc/05/35/09/490053509.db2.gz CILXZNFVKLGYGH-SECBINFHSA-N 0 3 196.254 0.084 20 0 ACADHN COCC[C@@H](C)NCc1cnnn1C 129739683 490053560 /nfs/dbraw/zinc/05/35/60/490053560.db2.gz XAJYKPIZBOYAFZ-MRVPVSSYSA-N 0 3 198.270 0.330 20 0 ACADHN Cn1nncc1CNC(C)(C)CCO 129784976 490054035 /nfs/dbraw/zinc/05/40/35/490054035.db2.gz CBGBWNLNMYMDFN-UHFFFAOYSA-N 0 3 198.270 0.066 20 0 ACADHN COC(C)(C)CNCc1cnnn1C 129786063 490054235 /nfs/dbraw/zinc/05/42/35/490054235.db2.gz BWTZEQYRFLJSHK-UHFFFAOYSA-N 0 3 198.270 0.330 20 0 ACADHN Cn1nncc1CNCCC1CC1 129788260 490054421 /nfs/dbraw/zinc/05/44/21/490054421.db2.gz MXWQKTLFAPLJFX-UHFFFAOYSA-N 0 3 180.255 0.705 20 0 ACADHN C[C@@H](CN(C)C)NCc1cncn1C 130082011 490055020 /nfs/dbraw/zinc/05/50/20/490055020.db2.gz RYZWUNHPZOZBFW-VIFPVBQESA-N 0 3 196.298 0.460 20 0 ACADHN C[C@@H](CN(C)C)NCc1ncc[nH]1 130176264 490055342 /nfs/dbraw/zinc/05/53/42/490055342.db2.gz CDNYBJRHGFFVCD-QMMMGPOBSA-N 0 3 182.271 0.449 20 0 ACADHN CC(C)NC(=O)NCCN1CCCC1 135877762 490056412 /nfs/dbraw/zinc/05/64/12/490056412.db2.gz CQLOBDQXVUGPPG-UHFFFAOYSA-N 0 3 199.298 0.790 20 0 ACADHN CC[C@@H]1CCN(C(=O)[C@H](N)CC)C1 158321824 490058381 /nfs/dbraw/zinc/05/83/81/490058381.db2.gz DGAHCQOIQVXYLG-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@H]1CCN(C(=O)[C@H](N)CC)C1 158321969 490058391 /nfs/dbraw/zinc/05/83/91/490058391.db2.gz DGAHCQOIQVXYLG-DTWKUNHWSA-N 0 3 184.283 0.982 20 0 ACADHN CCCn1nccc1CNCCCO 164828117 490059375 /nfs/dbraw/zinc/05/93/75/490059375.db2.gz ILRIIPHQBIQKLV-UHFFFAOYSA-N 0 3 197.282 0.765 20 0 ACADHN C[C@H](O)CCN1C[C@@H](C)OC[C@@H]1C 216920728 490067624 /nfs/dbraw/zinc/06/76/24/490067624.db2.gz CIZKGYPUAXHGGV-LPEHRKFASA-N 0 3 187.283 0.867 20 0 ACADHN COCCN1CC[C@H](OC)C1 219445560 490072365 /nfs/dbraw/zinc/07/23/65/490072365.db2.gz VCSFHVPSXHSAHE-QMMMGPOBSA-N 0 3 159.229 0.354 20 0 ACADHN CCCN(C)CC(=O)NCCOC 219582094 490073531 /nfs/dbraw/zinc/07/35/31/490073531.db2.gz BVUSFQIIJVDZCY-UHFFFAOYSA-N 0 3 188.271 0.091 20 0 ACADHN COCCN1CCN(C)C(C)(C)C1 220810991 490075864 /nfs/dbraw/zinc/07/58/64/490075864.db2.gz HVAWDTASAGGYBQ-UHFFFAOYSA-N 0 3 186.299 0.659 20 0 ACADHN CCN(CCN1CCNC1=O)C1CC1 221352450 490080825 /nfs/dbraw/zinc/08/08/25/490080825.db2.gz QPCGABAGZNUHOE-UHFFFAOYSA-N 0 3 197.282 0.496 20 0 ACADHN CO[C@H](C)CNC(=O)[C@@H](N)C(C)C 223705931 490082216 /nfs/dbraw/zinc/08/22/16/490082216.db2.gz QVJLHMXBQYEZRJ-SFYZADRCSA-N 0 3 188.271 0.121 20 0 ACADHN CO[C@@H](C)CNC(=O)[C@H](N)C(C)C 223714498 490082276 /nfs/dbraw/zinc/08/22/76/490082276.db2.gz QVJLHMXBQYEZRJ-JGVFFNPUSA-N 0 3 188.271 0.121 20 0 ACADHN CO[C@@H](C)CNC(=O)C1(N)CCC1 223725552 490082533 /nfs/dbraw/zinc/08/25/33/490082533.db2.gz ZXTYOJDRGAXBEK-ZETCQYMHSA-N 0 3 186.255 0.019 20 0 ACADHN CO[C@@H](C)CNC(=O)[C@@H](N)C(C)C 223705877 490082582 /nfs/dbraw/zinc/08/25/82/490082582.db2.gz QVJLHMXBQYEZRJ-YUMQZZPRSA-N 0 3 188.271 0.121 20 0 ACADHN CO[C@H](C)CNC(=O)C1(N)CCC1 223725618 490082615 /nfs/dbraw/zinc/08/26/15/490082615.db2.gz ZXTYOJDRGAXBEK-SSDOTTSWSA-N 0 3 186.255 0.019 20 0 ACADHN CO[C@H](C)CNC(=O)[C@H](N)C(C)C 223714561 490082864 /nfs/dbraw/zinc/08/28/64/490082864.db2.gz QVJLHMXBQYEZRJ-HTQZYQBOSA-N 0 3 188.271 0.121 20 0 ACADHN CN[C@@H](C)C(=O)N[C@H]1CCSC1 231352770 490085221 /nfs/dbraw/zinc/08/52/21/490085221.db2.gz WWJMEMYKERDUIY-BQBZGAKWSA-N 0 3 188.296 0.216 20 0 ACADHN CN[C@@H](C)C(=O)N[C@@H]1CCSC1 231352763 490085277 /nfs/dbraw/zinc/08/52/77/490085277.db2.gz WWJMEMYKERDUIY-NKWVEPMBSA-N 0 3 188.296 0.216 20 0 ACADHN CC[C@@H]1CN(C)CCCN1C(C)=O 300356022 490092604 /nfs/dbraw/zinc/09/26/04/490092604.db2.gz WTIARAVPBVGFTO-SNVBAGLBSA-N 0 3 184.283 0.949 20 0 ACADHN C[C@H](N[C@@]1(C)CCO[C@H]1C)C(N)=O 300368028 490096566 /nfs/dbraw/zinc/09/65/66/490096566.db2.gz OBENUFLLYYEIIF-ZKWXMUAHSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H](N[C@]1(C)CCO[C@H]1C)C(N)=O 300368027 490096582 /nfs/dbraw/zinc/09/65/82/490096582.db2.gz OBENUFLLYYEIIF-ACLDMZEESA-N 0 3 186.255 0.017 20 0 ACADHN COC[C@H](CO)N[C@H](C)[C@H](C)OC 300397718 490097834 /nfs/dbraw/zinc/09/78/34/490097834.db2.gz AIFYGMQGBIVSJL-VGMNWLOBSA-N 0 3 191.271 0.007 20 0 ACADHN COC[C@H](CO)N[C@@H](C)[C@H](C)OC 300397717 490098196 /nfs/dbraw/zinc/09/81/96/490098196.db2.gz AIFYGMQGBIVSJL-CIUDSAMLSA-N 0 3 191.271 0.007 20 0 ACADHN CN(CCCO)[C@@H]1CCCOC1 300749251 490098949 /nfs/dbraw/zinc/09/89/49/490098949.db2.gz FQZGJVSNWHLXHP-SECBINFHSA-N 0 3 173.256 0.480 20 0 ACADHN CN(CCCO)[C@H]1CCCOC1 300749252 490098969 /nfs/dbraw/zinc/09/89/69/490098969.db2.gz FQZGJVSNWHLXHP-VIFPVBQESA-N 0 3 173.256 0.480 20 0 ACADHN COCC[C@@H](CO)NCc1ccco1 300807744 490102450 /nfs/dbraw/zinc/10/24/50/490102450.db2.gz FLFWXSXZFVLHIP-VIFPVBQESA-N 0 3 199.250 0.767 20 0 ACADHN COCC[C@H](CO)NCc1ccco1 300807742 490103053 /nfs/dbraw/zinc/10/30/53/490103053.db2.gz FLFWXSXZFVLHIP-SECBINFHSA-N 0 3 199.250 0.767 20 0 ACADHN CN(CCCO)CCn1ccnc1 300863720 490105153 /nfs/dbraw/zinc/10/51/53/490105153.db2.gz VUTSPHVXRVQCHX-UHFFFAOYSA-N 0 3 183.255 0.197 20 0 ACADHN COCC[C@H](CO)NCc1cc[nH]c1 300971380 490111689 /nfs/dbraw/zinc/11/16/89/490111689.db2.gz ZYKXLMZCTWCZAZ-SNVBAGLBSA-N 0 3 198.266 0.502 20 0 ACADHN COCC[C@@H](CO)NCc1cc[nH]c1 300971378 490111696 /nfs/dbraw/zinc/11/16/96/490111696.db2.gz ZYKXLMZCTWCZAZ-JTQLQIEISA-N 0 3 198.266 0.502 20 0 ACADHN O[C@H]1CN([C@@H]2CCOC2)CC12CC2 306155040 490115134 /nfs/dbraw/zinc/11/51/34/490115134.db2.gz CRRXKSSYSOQWJL-BDAKNGLRSA-N 0 3 183.251 0.232 20 0 ACADHN CC[C@@H]1CC[C@@H](C)N(C(=O)CN)C1 306258761 490118622 /nfs/dbraw/zinc/11/86/22/490118622.db2.gz RESVKIHFVYKRDC-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@@H](N)C(=O)Nc1ccc(N)nc1 306516775 490122893 /nfs/dbraw/zinc/12/28/93/490122893.db2.gz ZBUJVMXWKLGTDR-SSDOTTSWSA-N 0 3 194.238 0.340 20 0 ACADHN C[C@@]1(CNC(=O)C2(N)CC2)CCOC1 306580313 490126108 /nfs/dbraw/zinc/12/61/08/490126108.db2.gz OJMKXYRUFMZJMG-VIFPVBQESA-N 0 3 198.266 0.021 20 0 ACADHN CCN(C)C(=O)[C@H]1NCC1(C)C 307372663 490131433 /nfs/dbraw/zinc/13/14/33/490131433.db2.gz RHVFNJIIQMMGQQ-SSDOTTSWSA-N 0 3 170.256 0.463 20 0 ACADHN CCN(C)C(=O)[C@@H]1NCC1(C)C 307372664 490132029 /nfs/dbraw/zinc/13/20/29/490132029.db2.gz RHVFNJIIQMMGQQ-ZETCQYMHSA-N 0 3 170.256 0.463 20 0 ACADHN Cc1nocc1CNC[C@H](C)O 378804088 490138759 /nfs/dbraw/zinc/13/87/59/490138759.db2.gz WSWLOMPARILJBC-LURJTMIESA-N 0 3 170.212 0.453 20 0 ACADHN C[C@H](O)CN(C)CCc1cnccn1 402888302 490147946 /nfs/dbraw/zinc/14/79/46/490147946.db2.gz DCCBUFSWBPSOBJ-VIFPVBQESA-N 0 3 195.266 0.332 20 0 ACADHN CN(CCCO)CCc1cnccn1 402890740 490148108 /nfs/dbraw/zinc/14/81/08/490148108.db2.gz FHJCMDGLHNEHSK-UHFFFAOYSA-N 0 3 195.266 0.333 20 0 ACADHN N[C@H]1CCO[C@H]1c1nc(C2CC2)no1 521402231 490151639 /nfs/dbraw/zinc/15/16/39/490151639.db2.gz YIASTJOJYNQZQQ-NKWVEPMBSA-N 0 3 195.222 0.736 20 0 ACADHN N[C@@H]1CCO[C@@H]1c1nc(C2CC2)no1 521402233 490151725 /nfs/dbraw/zinc/15/17/25/490151725.db2.gz YIASTJOJYNQZQQ-RQJHMYQMSA-N 0 3 195.222 0.736 20 0 ACADHN N[C@@H]1CCO[C@H]1c1nc(C2CC2)no1 521402232 490151816 /nfs/dbraw/zinc/15/18/16/490151816.db2.gz YIASTJOJYNQZQQ-RNFRBKRXSA-N 0 3 195.222 0.736 20 0 ACADHN N[C@H]1CCO[C@@H]1c1nc(C2CC2)no1 521402230 490151851 /nfs/dbraw/zinc/15/18/51/490151851.db2.gz YIASTJOJYNQZQQ-BQBZGAKWSA-N 0 3 195.222 0.736 20 0 ACADHN CN1CCN(C[C@@H]2CCCOC2)CC1 606275133 490165110 /nfs/dbraw/zinc/16/51/10/490165110.db2.gz YWGWZMXXYDPYNN-NSHDSACASA-N 0 3 198.310 0.660 20 0 ACADHN CN1CCCN(Cc2ncc[nH]2)CC1 606268515 490165150 /nfs/dbraw/zinc/16/51/50/490165150.db2.gz QIJUFTYXZBQSLU-UHFFFAOYSA-N 0 3 194.282 0.547 20 0 ACADHN CN1CCN(C[C@H]2CCCOC2)CC1 606275132 490165386 /nfs/dbraw/zinc/16/53/86/490165386.db2.gz YWGWZMXXYDPYNN-LLVKDONJSA-N 0 3 198.310 0.660 20 0 ACADHN C[C@@H]1C[C@@H]1CN1C[C@@H](CO)OC[C@H]1C 683110047 490173043 /nfs/dbraw/zinc/17/30/43/490173043.db2.gz ORLYFOFQHHYNSW-DBIOUOCHSA-N 0 3 199.294 0.724 20 0 ACADHN COC[C@@H]1CN(C[C@@H]2C[C@@H]2C)CCO1 683110501 490173089 /nfs/dbraw/zinc/17/30/89/490173089.db2.gz ROFULUOSNMFOSV-DCAQKATOSA-N 0 3 199.294 0.990 20 0 ACADHN C[C@H]1CO[C@H](CO)CN1C[C@H]1C[C@H]1C 683110052 490173200 /nfs/dbraw/zinc/17/32/00/490173200.db2.gz ORLYFOFQHHYNSW-YTWAJWBKSA-N 0 3 199.294 0.724 20 0 ACADHN COC[C@@H]1CN(C[C@H]2C[C@H]2C)CCO1 683110502 490173219 /nfs/dbraw/zinc/17/32/19/490173219.db2.gz ROFULUOSNMFOSV-MXWKQRLJSA-N 0 3 199.294 0.990 20 0 ACADHN COC[C@@H]1CN(C[C@@H]2C[C@H]2C)CCO1 683110503 490173295 /nfs/dbraw/zinc/17/32/95/490173295.db2.gz ROFULUOSNMFOSV-VWYCJHECSA-N 0 3 199.294 0.990 20 0 ACADHN C[C@@H]1C[C@@H]1CN1C[C@H](CO)OC[C@H]1C 683110049 490173523 /nfs/dbraw/zinc/17/35/23/490173523.db2.gz ORLYFOFQHHYNSW-GWOFURMSSA-N 0 3 199.294 0.724 20 0 ACADHN C[C@H]1C[C@H]1CN(C)CC(=O)NC1CC1 683110282 490173648 /nfs/dbraw/zinc/17/36/48/490173648.db2.gz LPFNBFFTSSNLJT-IUCAKERBSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@H]1CO[C@@H](CO)CN1C[C@H]1C[C@H]1C 683110051 490173689 /nfs/dbraw/zinc/17/36/89/490173689.db2.gz ORLYFOFQHHYNSW-LMLFDSFASA-N 0 3 199.294 0.724 20 0 ACADHN C[C@@H]1C[C@H]1CN(C)CC(=O)NC1CC1 683110278 490173910 /nfs/dbraw/zinc/17/39/10/490173910.db2.gz LPFNBFFTSSNLJT-BDAKNGLRSA-N 0 3 196.294 0.853 20 0 ACADHN COC[C@@H]1CN(C[C@H]2C[C@@H]2C)CCO1 683110500 490174011 /nfs/dbraw/zinc/17/40/11/490174011.db2.gz ROFULUOSNMFOSV-AXFHLTTASA-N 0 3 199.294 0.990 20 0 ACADHN C[C@H]1C[C@@H]1CN(C)CC(=O)NC1CC1 683110280 490174108 /nfs/dbraw/zinc/17/41/08/490174108.db2.gz LPFNBFFTSSNLJT-DTWKUNHWSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@@H]1C[C@@H]1CN(C)CC(=O)NC1CC1 683110283 490174156 /nfs/dbraw/zinc/17/41/56/490174156.db2.gz LPFNBFFTSSNLJT-RKDXNWHRSA-N 0 3 196.294 0.853 20 0 ACADHN CC[C@@H](C)N[C@H](C)CS(C)(=O)=O 81898606 491021768 /nfs/dbraw/zinc/02/17/68/491021768.db2.gz WTRKXDRTWCTWBG-HTQZYQBOSA-N 0 3 193.312 0.808 20 0 ACADHN Cc1n[nH]cc1CNCC1(C)COC1 82694123 491022605 /nfs/dbraw/zinc/02/26/05/491022605.db2.gz HJKREESBXFGBDF-UHFFFAOYSA-N 0 3 195.266 0.844 20 0 ACADHN Cc1cccc(CNC[C@@H](O)CO)c1 82730707 491022610 /nfs/dbraw/zinc/02/26/10/491022610.db2.gz XSPFATPATOXLGF-LLVKDONJSA-N 0 3 195.262 0.438 20 0 ACADHN CC1(CNCc2cc[nH]n2)COC1 82694162 491022688 /nfs/dbraw/zinc/02/26/88/491022688.db2.gz UOTQBWYLNYHLAX-UHFFFAOYSA-N 0 3 181.239 0.536 20 0 ACADHN CC(C)NC[C@@H](O)C(F)(F)F 82680443 491022702 /nfs/dbraw/zinc/02/27/02/491022702.db2.gz FUCMZFYSCPTXCQ-RXMQYKEDSA-N 0 3 171.162 0.908 20 0 ACADHN C[C@H](N)C(=O)NCCc1ccccn1 19427371 491020959 /nfs/dbraw/zinc/02/09/59/491020959.db2.gz MXLBGBLKEYAPLX-QMMMGPOBSA-N 0 3 193.250 0.088 20 0 ACADHN CCCC(=O)NCCN(C)C 3643558 491020924 /nfs/dbraw/zinc/02/09/24/491020924.db2.gz GXQRNXRDAOAFDO-UHFFFAOYSA-N 0 3 158.245 0.464 20 0 ACADHN C[C@H](NCCC(N)=O)c1ccccn1 35127019 491021188 /nfs/dbraw/zinc/02/11/88/491021188.db2.gz DLFBMFWHFPUDRD-QMMMGPOBSA-N 0 3 193.250 0.608 20 0 ACADHN CC[C@H]1CO[C@H](C)CN1C[C@@H](C)O 42451407 491021230 /nfs/dbraw/zinc/02/12/30/491021230.db2.gz ZGTOLZKJMRILCE-BBBLOLIVSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H]1CO[C@@H](C)CN1C[C@@H](C)O 42451411 491021273 /nfs/dbraw/zinc/02/12/73/491021273.db2.gz ZGTOLZKJMRILCE-UTLUCORTSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@H](O)CCN[C@H](C)c1cnccn1 82993085 491023069 /nfs/dbraw/zinc/02/30/69/491023069.db2.gz KAYKUUJEEUDFLV-DTWKUNHWSA-N 0 3 195.266 0.898 20 0 ACADHN OC[C@H](O)CNCc1cccc(F)c1 80822973 491021497 /nfs/dbraw/zinc/02/14/97/491021497.db2.gz UEYKNKQXIFLDCE-SNVBAGLBSA-N 0 3 199.225 0.269 20 0 ACADHN CC(=O)N(C)CCN(C)C 81559083 491021528 /nfs/dbraw/zinc/02/15/28/491021528.db2.gz QRKPMDXHLSPLDS-UHFFFAOYSA-N 0 3 144.218 0.026 20 0 ACADHN CCC(=O)N(C)CCN(C)C 81559544 491021540 /nfs/dbraw/zinc/02/15/40/491021540.db2.gz IGMZIXDBNAPSFR-UHFFFAOYSA-N 0 3 158.245 0.416 20 0 ACADHN CCCC(=O)N(C)CCN(C)C 81561492 491021643 /nfs/dbraw/zinc/02/16/43/491021643.db2.gz LRUDVHZDBOAWPM-UHFFFAOYSA-N 0 3 172.272 0.807 20 0 ACADHN CC(C)C(=O)N(C)CCN(C)C 81561497 491021669 /nfs/dbraw/zinc/02/16/69/491021669.db2.gz DUZHQYNUKCUJEP-UHFFFAOYSA-N 0 3 172.272 0.662 20 0 ACADHN CCOCC(=O)N(C)CCN(C)C 81566072 491021686 /nfs/dbraw/zinc/02/16/86/491021686.db2.gz QLLDNKFIZGDBKZ-UHFFFAOYSA-N 0 3 188.271 0.043 20 0 ACADHN CN(C)CCN(C)C(=O)C1CC1 81561494 491021711 /nfs/dbraw/zinc/02/17/11/491021711.db2.gz YORRVWHSSUVWET-UHFFFAOYSA-N 0 3 170.256 0.416 20 0 ACADHN CN(C)CCN(C)C(=O)c1ccco1 81567056 491021742 /nfs/dbraw/zinc/02/17/42/491021742.db2.gz YHCCIOPYBZFRGV-UHFFFAOYSA-N 0 3 196.250 0.913 20 0 ACADHN CCCCN[C@H](C)CS(C)(=O)=O 81898719 491021763 /nfs/dbraw/zinc/02/17/63/491021763.db2.gz BHLKSUMYYHUHMC-MRVPVSSYSA-N 0 3 193.312 0.809 20 0 ACADHN CC[C@H](C)N[C@H](C)CS(C)(=O)=O 81898607 491021780 /nfs/dbraw/zinc/02/17/80/491021780.db2.gz WTRKXDRTWCTWBG-JGVFFNPUSA-N 0 3 193.312 0.808 20 0 ACADHN C[C@@H]1C[C@H]1CN(C)CC(N)=O 82649551 491022420 /nfs/dbraw/zinc/02/24/20/491022420.db2.gz MRHCMSITNCMLKT-RQJHMYQMSA-N 0 3 156.229 0.060 20 0 ACADHN C[C@@H](CS(C)(=O)=O)NC1CCC1 81901076 491021792 /nfs/dbraw/zinc/02/17/92/491021792.db2.gz DVICDDTYFUPJCR-ZETCQYMHSA-N 0 3 191.296 0.562 20 0 ACADHN C[C@H](CS(C)(=O)=O)NC1CCC1 81901077 491021801 /nfs/dbraw/zinc/02/18/01/491021801.db2.gz DVICDDTYFUPJCR-SSDOTTSWSA-N 0 3 191.296 0.562 20 0 ACADHN CC[C@@H](C)N[C@@H](C)CS(C)(=O)=O 81898604 491021806 /nfs/dbraw/zinc/02/18/06/491021806.db2.gz WTRKXDRTWCTWBG-SFYZADRCSA-N 0 3 193.312 0.808 20 0 ACADHN C[C@@H]1C[C@@H]1CN(C)CC(N)=O 82649549 491022429 /nfs/dbraw/zinc/02/24/29/491022429.db2.gz MRHCMSITNCMLKT-RNFRBKRXSA-N 0 3 156.229 0.060 20 0 ACADHN CCCN[C@@H](C)CS(=O)(=O)CC 81925951 491021817 /nfs/dbraw/zinc/02/18/17/491021817.db2.gz UQTHPXQBJAEHIA-QMMMGPOBSA-N 0 3 193.312 0.809 20 0 ACADHN CCCN[C@H](C)CS(=O)(=O)CC 81925953 491021819 /nfs/dbraw/zinc/02/18/19/491021819.db2.gz UQTHPXQBJAEHIA-MRVPVSSYSA-N 0 3 193.312 0.809 20 0 ACADHN CC[C@H](C)N[C@@H](C)CS(C)(=O)=O 81898605 491021834 /nfs/dbraw/zinc/02/18/34/491021834.db2.gz WTRKXDRTWCTWBG-YUMQZZPRSA-N 0 3 193.312 0.808 20 0 ACADHN CCCCN[C@@H](C)CS(C)(=O)=O 81898718 491021856 /nfs/dbraw/zinc/02/18/56/491021856.db2.gz BHLKSUMYYHUHMC-QMMMGPOBSA-N 0 3 193.312 0.809 20 0 ACADHN C[C@H]1C[C@@H]1CN(C)CC(N)=O 82649550 491022441 /nfs/dbraw/zinc/02/24/41/491022441.db2.gz MRHCMSITNCMLKT-NKWVEPMBSA-N 0 3 156.229 0.060 20 0 ACADHN Cc1ncc(C(=O)NCCN(C)C)[nH]1 82268133 491021892 /nfs/dbraw/zinc/02/18/92/491021892.db2.gz FXSSAWOEQPDWFC-UHFFFAOYSA-N 0 3 196.254 0.010 20 0 ACADHN Cc1cc(C(=O)NCCN(C)C)on1 82303035 491022003 /nfs/dbraw/zinc/02/20/03/491022003.db2.gz MADLFWMFZUKMJJ-UHFFFAOYSA-N 0 3 197.238 0.274 20 0 ACADHN C[C@H]1C[C@H]1CN(C)CC(N)=O 82649552 491022490 /nfs/dbraw/zinc/02/24/90/491022490.db2.gz MRHCMSITNCMLKT-BQBZGAKWSA-N 0 3 156.229 0.060 20 0 ACADHN Cc1c[nH]nc1C(=O)NCCN(C)C 82302976 491022008 /nfs/dbraw/zinc/02/20/08/491022008.db2.gz WVSPYJKCXHIMOP-UHFFFAOYSA-N 0 3 196.254 0.010 20 0 ACADHN CCOC[C@H](C)NCc1cncn1C 82432834 491022126 /nfs/dbraw/zinc/02/21/26/491022126.db2.gz LKIBGRFMVXKKKR-VIFPVBQESA-N 0 3 197.282 0.935 20 0 ACADHN Cc1nsc(NCCN(C)C)n1 83647843 491024791 /nfs/dbraw/zinc/02/47/91/491024791.db2.gz CKMJLODZUFILML-UHFFFAOYSA-N 0 3 186.284 0.820 20 0 ACADHN C[C@@H]1CN([C@@H](C)C(N)=O)C[C@H]1C 85697424 491028114 /nfs/dbraw/zinc/02/81/14/491028114.db2.gz ZCJDQTHPIQDPML-PRJMDXOYSA-N 0 3 170.256 0.448 20 0 ACADHN C[C@H](O)CCN[C@@H](C)c1cnccn1 82993082 491023182 /nfs/dbraw/zinc/02/31/82/491023182.db2.gz KAYKUUJEEUDFLV-IUCAKERBSA-N 0 3 195.266 0.898 20 0 ACADHN C[C@H](NC[C@@H](C)CO)c1cnccn1 83218055 491023775 /nfs/dbraw/zinc/02/37/75/491023775.db2.gz UDDLFRRYCCXRFO-BDAKNGLRSA-N 0 3 195.266 0.756 20 0 ACADHN C[C@H](CO)CN[C@H](C)c1nccn1C 83218045 491023809 /nfs/dbraw/zinc/02/38/09/491023809.db2.gz OUVJOQKDFWBEOT-DTWKUNHWSA-N 0 3 197.282 0.699 20 0 ACADHN C[C@H](NC[C@@H](C)CO)c1nccn1C 83218043 491023826 /nfs/dbraw/zinc/02/38/26/491023826.db2.gz OUVJOQKDFWBEOT-BDAKNGLRSA-N 0 3 197.282 0.699 20 0 ACADHN C[C@H](CO)CN[C@H](C)c1cnccn1 83218058 491023840 /nfs/dbraw/zinc/02/38/40/491023840.db2.gz UDDLFRRYCCXRFO-DTWKUNHWSA-N 0 3 195.266 0.756 20 0 ACADHN C[C@@H](CO)CN[C@H](C)c1nccn1C 83218046 491023848 /nfs/dbraw/zinc/02/38/48/491023848.db2.gz OUVJOQKDFWBEOT-RKDXNWHRSA-N 0 3 197.282 0.699 20 0 ACADHN C[C@H](CO)CN[C@@H](C)c1nccn1C 83218042 491023871 /nfs/dbraw/zinc/02/38/71/491023871.db2.gz OUVJOQKDFWBEOT-IUCAKERBSA-N 0 3 197.282 0.699 20 0 ACADHN C[C@H](CO)CN[C@@H](C)c1cnccn1 83218053 491023878 /nfs/dbraw/zinc/02/38/78/491023878.db2.gz UDDLFRRYCCXRFO-IUCAKERBSA-N 0 3 195.266 0.756 20 0 ACADHN C[C@@H](CO)CN[C@H](C)c1cnccn1 83218064 491023882 /nfs/dbraw/zinc/02/38/82/491023882.db2.gz UDDLFRRYCCXRFO-RKDXNWHRSA-N 0 3 195.266 0.756 20 0 ACADHN C[C@H](CO)CNCc1cncs1 83220231 491023935 /nfs/dbraw/zinc/02/39/35/491023935.db2.gz NTRIBMJEWUYAFI-ZETCQYMHSA-N 0 3 186.280 0.861 20 0 ACADHN C[C@@H](CO)CNCc1cncs1 83220232 491023944 /nfs/dbraw/zinc/02/39/44/491023944.db2.gz NTRIBMJEWUYAFI-SSDOTTSWSA-N 0 3 186.280 0.861 20 0 ACADHN C[C@@H](CO)CN[C@H](C)c1cnn(C)c1 83220059 491023953 /nfs/dbraw/zinc/02/39/53/491023953.db2.gz QUTAZAKVFWWXCO-RKDXNWHRSA-N 0 3 197.282 0.699 20 0 ACADHN C[C@H](CO)CN[C@H](C)c1cnn(C)c1 83220058 491023976 /nfs/dbraw/zinc/02/39/76/491023976.db2.gz QUTAZAKVFWWXCO-DTWKUNHWSA-N 0 3 197.282 0.699 20 0 ACADHN C[C@H](NC[C@@H](C)CO)c1cnn(C)c1 83220057 491023978 /nfs/dbraw/zinc/02/39/78/491023978.db2.gz QUTAZAKVFWWXCO-BDAKNGLRSA-N 0 3 197.282 0.699 20 0 ACADHN C[C@H](CO)CN[C@@H](C)c1cnn(C)c1 83220056 491023982 /nfs/dbraw/zinc/02/39/82/491023982.db2.gz QUTAZAKVFWWXCO-IUCAKERBSA-N 0 3 197.282 0.699 20 0 ACADHN OCCCCCNCc1ncc[nH]1 83340844 491024037 /nfs/dbraw/zinc/02/40/37/491024037.db2.gz NNTLCTYBXHRFTO-UHFFFAOYSA-N 0 3 183.255 0.662 20 0 ACADHN COC[C@@H](N[C@H](C)C(N)=O)C(C)C 83399694 491024237 /nfs/dbraw/zinc/02/42/37/491024237.db2.gz ZHATVMKSCYXIEG-HTQZYQBOSA-N 0 3 188.271 0.121 20 0 ACADHN COC[C@H](N[C@@H](C)C(N)=O)C(C)C 83399691 491024247 /nfs/dbraw/zinc/02/42/47/491024247.db2.gz ZHATVMKSCYXIEG-YUMQZZPRSA-N 0 3 188.271 0.121 20 0 ACADHN COC[C@H](N[C@H](C)C(N)=O)C(C)C 83399696 491024294 /nfs/dbraw/zinc/02/42/94/491024294.db2.gz ZHATVMKSCYXIEG-SFYZADRCSA-N 0 3 188.271 0.121 20 0 ACADHN COC[C@@H](N[C@@H](C)C(N)=O)C(C)C 83399687 491024357 /nfs/dbraw/zinc/02/43/57/491024357.db2.gz ZHATVMKSCYXIEG-JGVFFNPUSA-N 0 3 188.271 0.121 20 0 ACADHN C[C@@H](NCC(C)(C)O)c1cnccn1 83461239 491024405 /nfs/dbraw/zinc/02/44/05/491024405.db2.gz JAMCAVVNGBXEGX-MRVPVSSYSA-N 0 3 195.266 0.898 20 0 ACADHN C[C@H](NCC(C)(C)O)c1cnn(C)c1 83461063 491024407 /nfs/dbraw/zinc/02/44/07/491024407.db2.gz KAXSYIDKCCQFHM-QMMMGPOBSA-N 0 3 197.282 0.842 20 0 ACADHN CC[C@@](C)(O)CNCc1ccnn1C 83462002 491024412 /nfs/dbraw/zinc/02/44/12/491024412.db2.gz PIXNAAYPUSOOET-SNVBAGLBSA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@](C)(O)CNCc1ccnn1C 83462001 491024423 /nfs/dbraw/zinc/02/44/23/491024423.db2.gz PIXNAAYPUSOOET-JTQLQIEISA-N 0 3 197.282 0.671 20 0 ACADHN C[C@@H](NCC(C)(C)O)c1cnn(C)c1 83461065 491024446 /nfs/dbraw/zinc/02/44/46/491024446.db2.gz KAXSYIDKCCQFHM-MRVPVSSYSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@H](NCC(C)(C)O)c1cnccn1 83461237 491024459 /nfs/dbraw/zinc/02/44/59/491024459.db2.gz JAMCAVVNGBXEGX-QMMMGPOBSA-N 0 3 195.266 0.898 20 0 ACADHN CC[C@@](C)(O)CNCc1cnccn1 83463023 491024511 /nfs/dbraw/zinc/02/45/11/491024511.db2.gz FIXJYNSTLAKQMR-SNVBAGLBSA-N 0 3 195.266 0.727 20 0 ACADHN CC[C@](C)(O)CNCc1cnccn1 83463020 491024536 /nfs/dbraw/zinc/02/45/36/491024536.db2.gz FIXJYNSTLAKQMR-JTQLQIEISA-N 0 3 195.266 0.727 20 0 ACADHN Cc1nn(C)cc1[C@H](C)NC[C@H](C)O 83569473 491024584 /nfs/dbraw/zinc/02/45/84/491024584.db2.gz GIWLSVCHJUSRLX-YUMQZZPRSA-N 0 3 197.282 0.760 20 0 ACADHN Cc1nn(C)cc1[C@H](C)N[C@@H](C)CO 83569477 491024591 /nfs/dbraw/zinc/02/45/91/491024591.db2.gz JZKIEFUBISEXHM-YUMQZZPRSA-N 0 3 197.282 0.760 20 0 ACADHN CC(C)[C@@H](CO)NCc1cnn(C)c1 86122536 491028286 /nfs/dbraw/zinc/02/82/86/491028286.db2.gz SFCZYUHNNCPFPK-SNVBAGLBSA-N 0 3 197.282 0.527 20 0 ACADHN Cc1nn(C)cc1[C@H](C)NCCCO 83569402 491024601 /nfs/dbraw/zinc/02/46/01/491024601.db2.gz CNNDDTULNSMXLG-QMMMGPOBSA-N 0 3 197.282 0.762 20 0 ACADHN Cc1nn(C)cc1[C@H](C)NC[C@@H](C)O 83569469 491024625 /nfs/dbraw/zinc/02/46/25/491024625.db2.gz GIWLSVCHJUSRLX-SFYZADRCSA-N 0 3 197.282 0.760 20 0 ACADHN Cc1nn(C)cc1[C@@H](C)NCCCO 83569400 491024636 /nfs/dbraw/zinc/02/46/36/491024636.db2.gz CNNDDTULNSMXLG-MRVPVSSYSA-N 0 3 197.282 0.762 20 0 ACADHN Cc1nn(C)cc1[C@@H](C)N[C@@H](C)CO 83569476 491024640 /nfs/dbraw/zinc/02/46/40/491024640.db2.gz JZKIEFUBISEXHM-JGVFFNPUSA-N 0 3 197.282 0.760 20 0 ACADHN Cc1nn(C)cc1[C@@H](C)N[C@H](C)CO 83569479 491024644 /nfs/dbraw/zinc/02/46/44/491024644.db2.gz JZKIEFUBISEXHM-HTQZYQBOSA-N 0 3 197.282 0.760 20 0 ACADHN Cc1nn(C)cc1[C@@H](C)NCCO 83569430 491024647 /nfs/dbraw/zinc/02/46/47/491024647.db2.gz LRZKJFOTNJAMKH-SSDOTTSWSA-N 0 3 183.255 0.371 20 0 ACADHN Cc1nn(C)cc1[C@H](C)N[C@H](C)CO 83569482 491024651 /nfs/dbraw/zinc/02/46/51/491024651.db2.gz JZKIEFUBISEXHM-SFYZADRCSA-N 0 3 197.282 0.760 20 0 ACADHN Cc1nn(C)cc1[C@H](C)NCCO 83569431 491024688 /nfs/dbraw/zinc/02/46/88/491024688.db2.gz LRZKJFOTNJAMKH-ZETCQYMHSA-N 0 3 183.255 0.371 20 0 ACADHN Cc1nn(C)cc1[C@@H](C)NC[C@@H](C)O 83569467 491024697 /nfs/dbraw/zinc/02/46/97/491024697.db2.gz GIWLSVCHJUSRLX-HTQZYQBOSA-N 0 3 197.282 0.760 20 0 ACADHN Cc1n[nH]cc1CN[C@H](CO)C(C)C 86122586 491028303 /nfs/dbraw/zinc/02/83/03/491028303.db2.gz XRPNZKISUFQOER-SNVBAGLBSA-N 0 3 197.282 0.825 20 0 ACADHN Cc1nn(C)cc1[C@@H](C)NC[C@H](C)O 83569471 491024712 /nfs/dbraw/zinc/02/47/12/491024712.db2.gz GIWLSVCHJUSRLX-JGVFFNPUSA-N 0 3 197.282 0.760 20 0 ACADHN Cc1nnc(NCCN(C)C)s1 83583746 491024781 /nfs/dbraw/zinc/02/47/81/491024781.db2.gz ZWNPWTGUGBMGQC-UHFFFAOYSA-N 0 3 186.284 0.820 20 0 ACADHN CC(C)[C@@H](CO)NCc1cncn1C 86120672 491028321 /nfs/dbraw/zinc/02/83/21/491028321.db2.gz IQSPWHIBSWXVOO-SNVBAGLBSA-N 0 3 197.282 0.527 20 0 ACADHN Cc1noc(C)c1[C@@H](C)NCCO 86110472 491028331 /nfs/dbraw/zinc/02/83/31/491028331.db2.gz UEURLYXPGHIBBR-ZCFIWIBFSA-N 0 3 184.239 0.934 20 0 ACADHN C[C@H](NCc1ccnn1C)C(C)(C)O 83728106 491025131 /nfs/dbraw/zinc/02/51/31/491025131.db2.gz MAXCRWCFMBIUSO-QMMMGPOBSA-N 0 3 197.282 0.669 20 0 ACADHN CCC[C@H](C)NC(=O)C1(N)CC1 83833785 491025188 /nfs/dbraw/zinc/02/51/88/491025188.db2.gz AQNHPEIVCTYJJX-ZETCQYMHSA-N 0 3 170.256 0.783 20 0 ACADHN CC1CCN(C(=O)C2(N)CC2)CC1 83833693 491025197 /nfs/dbraw/zinc/02/51/97/491025197.db2.gz ZZOAHWTYJCPOPJ-UHFFFAOYSA-N 0 3 182.267 0.736 20 0 ACADHN CCC[C@@H](C)NC(=O)C1(N)CC1 83833782 491025202 /nfs/dbraw/zinc/02/52/02/491025202.db2.gz AQNHPEIVCTYJJX-SSDOTTSWSA-N 0 3 170.256 0.783 20 0 ACADHN CC[C@@H](C)NC(=O)C1(N)CC1 83833718 491025205 /nfs/dbraw/zinc/02/52/05/491025205.db2.gz RMBGUWPEGXKJFD-ZCFIWIBFSA-N 0 3 156.229 0.392 20 0 ACADHN C[C@@H]1CCCN(C(=O)C2(N)CC2)C1 83833739 491025223 /nfs/dbraw/zinc/02/52/23/491025223.db2.gz MCGXPEYYQMMWQV-MRVPVSSYSA-N 0 3 182.267 0.736 20 0 ACADHN C[C@H](O)CN(C)CCOCC1CC1 83825878 491025233 /nfs/dbraw/zinc/02/52/33/491025233.db2.gz VOKVOECUPYILCU-VIFPVBQESA-N 0 3 187.283 0.726 20 0 ACADHN C[C@H]1CCCN(C(=O)C2(N)CC2)C1 83833742 491025235 /nfs/dbraw/zinc/02/52/35/491025235.db2.gz MCGXPEYYQMMWQV-QMMMGPOBSA-N 0 3 182.267 0.736 20 0 ACADHN NC1(C(=O)N2CCCC2)CC1 83833695 491025240 /nfs/dbraw/zinc/02/52/40/491025240.db2.gz GRVDUVPVNFPQGH-UHFFFAOYSA-N 0 3 154.213 0.100 20 0 ACADHN C[C@@H]1CCCCN1C(=O)C1(N)CC1 83833710 491025243 /nfs/dbraw/zinc/02/52/43/491025243.db2.gz HNLKUEDPJPWULL-MRVPVSSYSA-N 0 3 182.267 0.879 20 0 ACADHN NC1(C(=O)NC2CCCCC2)CC1 83833696 491025254 /nfs/dbraw/zinc/02/52/54/491025254.db2.gz GXMHVYGFAJAWKL-UHFFFAOYSA-N 0 3 182.267 0.927 20 0 ACADHN C[C@@H](O)CN(C)CCOCC1CC1 83825879 491025257 /nfs/dbraw/zinc/02/52/57/491025257.db2.gz VOKVOECUPYILCU-SECBINFHSA-N 0 3 187.283 0.726 20 0 ACADHN C[C@H]1CCCCN1C(=O)C1(N)CC1 83833711 491025280 /nfs/dbraw/zinc/02/52/80/491025280.db2.gz HNLKUEDPJPWULL-QMMMGPOBSA-N 0 3 182.267 0.879 20 0 ACADHN C[C@H]1CN(C(=O)C2(N)CC2)C[C@@H](C)O1 83833732 491025282 /nfs/dbraw/zinc/02/52/82/491025282.db2.gz JRZNZVUJTRRYTN-OCAPTIKFSA-N 0 3 198.266 0.114 20 0 ACADHN NC1(C(=O)N2CCCCCC2)CC1 83833745 491025293 /nfs/dbraw/zinc/02/52/93/491025293.db2.gz XNNNGRHJWJEQCY-UHFFFAOYSA-N 0 3 182.267 0.880 20 0 ACADHN NC1(C(=O)Nc2cccnc2)CC1 83833749 491025296 /nfs/dbraw/zinc/02/52/96/491025296.db2.gz KUBHCABPZZZUBF-UHFFFAOYSA-N 0 3 177.207 0.511 20 0 ACADHN CCC(CC)NC(=O)C1(N)CC1 83833725 491025303 /nfs/dbraw/zinc/02/53/03/491025303.db2.gz ZIFQNBPSAOLBHD-UHFFFAOYSA-N 0 3 170.256 0.783 20 0 ACADHN NC1(C(=O)Nc2ccccn2)CC1 83833730 491025305 /nfs/dbraw/zinc/02/53/05/491025305.db2.gz NUGZMEGEEGKULN-UHFFFAOYSA-N 0 3 177.207 0.511 20 0 ACADHN NC1(C(=O)NC2CCCC2)CC1 83833723 491025310 /nfs/dbraw/zinc/02/53/10/491025310.db2.gz YRIUPHQVHNYSFC-UHFFFAOYSA-N 0 3 168.240 0.537 20 0 ACADHN NC1(C(=O)NCC2CC2)CC1 83833752 491025332 /nfs/dbraw/zinc/02/53/32/491025332.db2.gz TZCNXZZGISKHFT-UHFFFAOYSA-N 0 3 154.213 0.004 20 0 ACADHN CCN(CC)C(=O)C1(N)CC1 83833706 491025345 /nfs/dbraw/zinc/02/53/45/491025345.db2.gz RFRYWRYLTBATBE-UHFFFAOYSA-N 0 3 156.229 0.346 20 0 ACADHN Cc1noc(C)c1[C@H](C)NCCO 86110474 491028394 /nfs/dbraw/zinc/02/83/94/491028394.db2.gz UEURLYXPGHIBBR-LURJTMIESA-N 0 3 184.239 0.934 20 0 ACADHN Cc1cnc(NC(=O)C2(N)CC2)s1 83833885 491025358 /nfs/dbraw/zinc/02/53/58/491025358.db2.gz KKYVZFMZROZSQZ-UHFFFAOYSA-N 0 3 197.263 0.881 20 0 ACADHN CC(C)N(C)C(=O)C1(N)CC1 83833865 491025375 /nfs/dbraw/zinc/02/53/75/491025375.db2.gz ZXGQXPSHESXFJI-UHFFFAOYSA-N 0 3 156.229 0.345 20 0 ACADHN CCCCN(C)C(=O)C1(N)CC1 83833845 491025462 /nfs/dbraw/zinc/02/54/62/491025462.db2.gz MLSKMZWDHGSMJF-UHFFFAOYSA-N 0 3 170.256 0.736 20 0 ACADHN CNCC(=O)NCc1c(C)noc1C 83903150 491025678 /nfs/dbraw/zinc/02/56/78/491025678.db2.gz NAYQFZHNTLNGOI-UHFFFAOYSA-N 0 3 197.238 0.127 20 0 ACADHN CNCC(=O)NCc1sccc1C 83944197 491025877 /nfs/dbraw/zinc/02/58/77/491025877.db2.gz QEHREWYRYMCVEN-UHFFFAOYSA-N 0 3 198.291 0.892 20 0 ACADHN CC(C)[C@H](C)NCc1ncnn1C 83970516 491025946 /nfs/dbraw/zinc/02/59/46/491025946.db2.gz FLNADKHRRHXOIN-QMMMGPOBSA-N 0 3 182.271 0.949 20 0 ACADHN CC(C)(O)CCN(CCO)C1CC1 86194661 491028465 /nfs/dbraw/zinc/02/84/65/491028465.db2.gz CFNZQFLPLGLALK-UHFFFAOYSA-N 0 3 187.283 0.604 20 0 ACADHN CC(C)[C@@H](C)NCc1ncnn1C 83970514 491026048 /nfs/dbraw/zinc/02/60/48/491026048.db2.gz FLNADKHRRHXOIN-MRVPVSSYSA-N 0 3 182.271 0.949 20 0 ACADHN COC[C@H](C)NCc1cc(C)nn1C 84243653 491026283 /nfs/dbraw/zinc/02/62/83/491026283.db2.gz YYKGJBVUCRHEOF-VIFPVBQESA-N 0 3 197.282 0.853 20 0 ACADHN COC[C@@H](C)NCc1cc(C)nn1C 84243657 491026318 /nfs/dbraw/zinc/02/63/18/491026318.db2.gz YYKGJBVUCRHEOF-SECBINFHSA-N 0 3 197.282 0.853 20 0 ACADHN CCN1CCN(c2ncc[nH]2)CC1 84446451 491026565 /nfs/dbraw/zinc/02/65/65/491026565.db2.gz CTQZPSXFGQOVLN-UHFFFAOYSA-N 0 3 180.255 0.552 20 0 ACADHN COCCN(C)CCC(C)(C)O 86234074 491028566 /nfs/dbraw/zinc/02/85/66/491028566.db2.gz GOCLWIQPNHXVET-UHFFFAOYSA-N 0 3 175.272 0.726 20 0 ACADHN CC(C)CN1CC(C)(O)C1 84356188 491026687 /nfs/dbraw/zinc/02/66/87/491026687.db2.gz LNCIKPUXHDVIHB-UHFFFAOYSA-N 0 3 143.230 0.709 20 0 ACADHN CN(CCO)Cc1ccc(CO)cc1 84896450 491026763 /nfs/dbraw/zinc/02/67/63/491026763.db2.gz COVKLGNTBWCXQD-UHFFFAOYSA-N 0 3 195.262 0.603 20 0 ACADHN C[C@H](CCO)CNCc1ccnn1C 85125740 491026960 /nfs/dbraw/zinc/02/69/60/491026960.db2.gz ANLRDLZIAHAACO-SECBINFHSA-N 0 3 197.282 0.528 20 0 ACADHN C[C@@H](CCO)CNCc1ccnn1C 85125738 491027021 /nfs/dbraw/zinc/02/70/21/491027021.db2.gz ANLRDLZIAHAACO-VIFPVBQESA-N 0 3 197.282 0.528 20 0 ACADHN CN(CCO)CCC(C)(C)O 86234013 491028666 /nfs/dbraw/zinc/02/86/66/491028666.db2.gz INHJGWPHJBNHGO-UHFFFAOYSA-N 0 3 161.245 0.072 20 0 ACADHN OC[C@H](O)CNCc1ccsc1 85247462 491027427 /nfs/dbraw/zinc/02/74/27/491027427.db2.gz MPWWKFSSNRCEIY-MRVPVSSYSA-N 0 3 187.264 0.191 20 0 ACADHN COC[C@H](O)CNCc1cc[nH]c1 85579962 491027744 /nfs/dbraw/zinc/02/77/44/491027744.db2.gz ACVBEIGDPMMOPZ-SECBINFHSA-N 0 3 184.239 0.112 20 0 ACADHN OCCOCCNCc1cc[nH]c1 85578926 491027753 /nfs/dbraw/zinc/02/77/53/491027753.db2.gz UKPJJCYGMGJNQV-UHFFFAOYSA-N 0 3 184.239 0.113 20 0 ACADHN COCCNCc1cc[nH]c1 85578619 491027818 /nfs/dbraw/zinc/02/78/18/491027818.db2.gz UKDVQSZPWZSZNJ-UHFFFAOYSA-N 0 3 154.213 0.751 20 0 ACADHN COCCOCCNCc1cc[nH]c1 85579656 491027827 /nfs/dbraw/zinc/02/78/27/491027827.db2.gz PVPOHJMXFUOOMK-UHFFFAOYSA-N 0 3 198.266 0.767 20 0 ACADHN CN(C)C(=O)CCNCc1cc[nH]c1 85579350 491027851 /nfs/dbraw/zinc/02/78/51/491027851.db2.gz VVHHOSPTPNUWJK-UHFFFAOYSA-N 0 3 195.266 0.583 20 0 ACADHN CNC(=O)CCNCc1cc[nH]c1 85579672 491027868 /nfs/dbraw/zinc/02/78/68/491027868.db2.gz NGNFVCNDIUECJD-UHFFFAOYSA-N 0 3 181.239 0.240 20 0 ACADHN CNC(=O)CCNCc1ccn(C)c1 85604094 491027923 /nfs/dbraw/zinc/02/79/23/491027923.db2.gz DXJKGGYZTCDKFS-UHFFFAOYSA-N 0 3 195.266 0.251 20 0 ACADHN Cn1ccc(CNCCOCCO)c1 85590295 491027929 /nfs/dbraw/zinc/02/79/29/491027929.db2.gz WFDMEQQZCKDVGD-UHFFFAOYSA-N 0 3 198.266 0.124 20 0 ACADHN COCCNCc1ccn(C)c1 85586051 491027951 /nfs/dbraw/zinc/02/79/51/491027951.db2.gz VEKDNBVLGHOIPI-UHFFFAOYSA-N 0 3 168.240 0.761 20 0 ACADHN COC[C@H](O)CNCc1ccn(C)c1 85604405 491027986 /nfs/dbraw/zinc/02/79/86/491027986.db2.gz VUKSUHWDCQYXSG-SNVBAGLBSA-N 0 3 198.266 0.122 20 0 ACADHN C[C@@H]1CN([C@@H](C)C(N)=O)C[C@@H]1C 85697417 491028049 /nfs/dbraw/zinc/02/80/49/491028049.db2.gz ZCJDQTHPIQDPML-RNJXMRFFSA-N 0 3 170.256 0.448 20 0 ACADHN Cc1c(CNC[C@H](C)CO)cnn1C 86552149 491029097 /nfs/dbraw/zinc/02/90/97/491029097.db2.gz CGVLGLNHVWDBNS-QMMMGPOBSA-N 0 3 197.282 0.447 20 0 ACADHN Cn1cc(CNCCC(C)(C)O)cn1 86235478 491028779 /nfs/dbraw/zinc/02/87/79/491028779.db2.gz FITKZSRIMHAZRL-UHFFFAOYSA-N 0 3 197.282 0.671 20 0 ACADHN Cn1nccc1CNCCC(C)(C)O 86235966 491028787 /nfs/dbraw/zinc/02/87/87/491028787.db2.gz DVKAFIRKDUATMG-UHFFFAOYSA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@H](C)CN(CC)CC(N)=O 86438475 491028954 /nfs/dbraw/zinc/02/89/54/491028954.db2.gz KQLYIRCHOUTYHV-QMMMGPOBSA-N 0 3 172.272 0.840 20 0 ACADHN CC[C@@H](C)CN(CC)CC(N)=O 86438473 491028976 /nfs/dbraw/zinc/02/89/76/491028976.db2.gz KQLYIRCHOUTYHV-MRVPVSSYSA-N 0 3 172.272 0.840 20 0 ACADHN Cc1c(CNC[C@@H](C)CO)cnn1C 86552148 491029089 /nfs/dbraw/zinc/02/90/89/491029089.db2.gz CGVLGLNHVWDBNS-MRVPVSSYSA-N 0 3 197.282 0.447 20 0 ACADHN CN1CCC(NCc2ccon2)CC1 86690545 491029241 /nfs/dbraw/zinc/02/92/41/491029241.db2.gz CMCXRKFMYAWWFR-UHFFFAOYSA-N 0 3 195.266 0.858 20 0 ACADHN CCOCCN(C)C[C@H](O)C1CC1 86895676 491029697 /nfs/dbraw/zinc/02/96/97/491029697.db2.gz OWLFSUMJUWQHFZ-JTQLQIEISA-N 0 3 187.283 0.726 20 0 ACADHN CCOCCN(C)C[C@@H](O)C1CC1 86895678 491029700 /nfs/dbraw/zinc/02/97/00/491029700.db2.gz OWLFSUMJUWQHFZ-SNVBAGLBSA-N 0 3 187.283 0.726 20 0 ACADHN CN[C@@H](C)C(=O)N1CCC(C)(C)C1 87253396 491030066 /nfs/dbraw/zinc/03/00/66/491030066.db2.gz QXWPIXFIXHGLRP-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN CC[C@@H](N)C(=O)N1CCC(C)(C)C1 87253554 491030109 /nfs/dbraw/zinc/03/01/09/491030109.db2.gz WHDHIHQMYIHIBO-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN CCC1(CC)CCN(CC(N)=O)C1 87257842 491030298 /nfs/dbraw/zinc/03/02/98/491030298.db2.gz WKOXRCOMAQUHJD-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN C[C@@H](NCCOCCO)c1ccoc1 87289643 491030398 /nfs/dbraw/zinc/03/03/98/491030398.db2.gz NOCFRDNVFVSRSI-SECBINFHSA-N 0 3 199.250 0.939 20 0 ACADHN COC[C@H](O)CN[C@H](C)c1ccoc1 87290301 491030404 /nfs/dbraw/zinc/03/04/04/491030404.db2.gz CQDVXMUGHWALDH-PSASIEDQSA-N 0 3 199.250 0.938 20 0 ACADHN C[C@H](NCCO)c1ccoc1 87289686 491030417 /nfs/dbraw/zinc/03/04/17/491030417.db2.gz HXADFMBAHMOTFQ-ZETCQYMHSA-N 0 3 155.197 0.923 20 0 ACADHN C[C@H](NCCOCCO)c1ccoc1 87289642 491030449 /nfs/dbraw/zinc/03/04/49/491030449.db2.gz NOCFRDNVFVSRSI-VIFPVBQESA-N 0 3 199.250 0.939 20 0 ACADHN COC[C@H](O)CN[C@@H](C)c1ccoc1 87290300 491030460 /nfs/dbraw/zinc/03/04/60/491030460.db2.gz CQDVXMUGHWALDH-WCBMZHEXSA-N 0 3 199.250 0.938 20 0 ACADHN C[C@@H](NCCO)c1ccoc1 87289687 491030484 /nfs/dbraw/zinc/03/04/84/491030484.db2.gz HXADFMBAHMOTFQ-SSDOTTSWSA-N 0 3 155.197 0.923 20 0 ACADHN C[C@@H](CN(C)C)NCc1ccn(C)n1 130562409 491034169 /nfs/dbraw/zinc/03/41/69/491034169.db2.gz QCTJMRLDQXJHKU-VIFPVBQESA-N 0 3 196.298 0.460 20 0 ACADHN CC[C@H](CCO)CNCc1cc[nH]n1 87362704 491030800 /nfs/dbraw/zinc/03/08/00/491030800.db2.gz SGSWQWDNHSNIRN-SECBINFHSA-N 0 3 197.282 0.908 20 0 ACADHN CCn1cc(CN[C@H]2CCOC2)cn1 87416152 491030809 /nfs/dbraw/zinc/03/08/09/491030809.db2.gz LAYQPRMPXPGUQC-JTQLQIEISA-N 0 3 195.266 0.782 20 0 ACADHN CC[C@@H](CCO)CNCc1ncc[nH]1 87362609 491030822 /nfs/dbraw/zinc/03/08/22/491030822.db2.gz CACFXUONLVCMKX-VIFPVBQESA-N 0 3 197.282 0.908 20 0 ACADHN CN(CCCO)CCOCC1CC1 87400060 491030846 /nfs/dbraw/zinc/03/08/46/491030846.db2.gz RSPUCYBEFZFGRH-UHFFFAOYSA-N 0 3 187.283 0.727 20 0 ACADHN O[C@H](CN[C@H]1CCOC1)C(F)(F)F 87415993 491030862 /nfs/dbraw/zinc/03/08/62/491030862.db2.gz JNXRQNOBOHMWDZ-NTSWFWBYSA-N 0 3 199.172 0.288 20 0 ACADHN CC[C@H](CCO)CNCc1ncc[nH]1 87362610 491030898 /nfs/dbraw/zinc/03/08/98/491030898.db2.gz CACFXUONLVCMKX-SECBINFHSA-N 0 3 197.282 0.908 20 0 ACADHN CC[C@@H](CCO)CNCc1cc[nH]n1 87362703 491030904 /nfs/dbraw/zinc/03/09/04/491030904.db2.gz SGSWQWDNHSNIRN-VIFPVBQESA-N 0 3 197.282 0.908 20 0 ACADHN CCOCC(=O)N[C@@H](C)CN(C)C 130754897 491034233 /nfs/dbraw/zinc/03/42/33/491034233.db2.gz QOAIJNDZRMKTBF-QMMMGPOBSA-N 0 3 188.271 0.089 20 0 ACADHN COC[C@H](NCc1cn[nH]c1)C1CC1 87479111 491031304 /nfs/dbraw/zinc/03/13/04/491031304.db2.gz SAYRWAGEMNCTLF-JTQLQIEISA-N 0 3 195.266 0.924 20 0 ACADHN COC[C@@H](NCc1cn[nH]c1)C1CC1 87479118 491031345 /nfs/dbraw/zinc/03/13/45/491031345.db2.gz SAYRWAGEMNCTLF-SNVBAGLBSA-N 0 3 195.266 0.924 20 0 ACADHN CCC(=O)N[C@@H](C)CN(C)C 130754037 491034243 /nfs/dbraw/zinc/03/42/43/491034243.db2.gz MAZLZXNCCYXKHR-ZETCQYMHSA-N 0 3 158.245 0.463 20 0 ACADHN COC[C@H](NCc1c[nH]cn1)C1CC1 87481391 491031413 /nfs/dbraw/zinc/03/14/13/491031413.db2.gz NWIUVDJIBIDJRT-JTQLQIEISA-N 0 3 195.266 0.924 20 0 ACADHN COC[C@H](NCc1cnc[nH]1)C1CC1 87481391 491031414 /nfs/dbraw/zinc/03/14/14/491031414.db2.gz NWIUVDJIBIDJRT-JTQLQIEISA-N 0 3 195.266 0.924 20 0 ACADHN CC(C)C(=O)N[C@@H](C)CN(C)C 130754487 491034259 /nfs/dbraw/zinc/03/42/59/491034259.db2.gz LMZWTULWGZFPQK-QMMMGPOBSA-N 0 3 172.272 0.709 20 0 ACADHN COC[C@@H](NCc1c[nH]cn1)C1CC1 87481394 491031499 /nfs/dbraw/zinc/03/14/99/491031499.db2.gz NWIUVDJIBIDJRT-SNVBAGLBSA-N 0 3 195.266 0.924 20 0 ACADHN COC[C@@H](NCc1cnc[nH]1)C1CC1 87481394 491031500 /nfs/dbraw/zinc/03/15/00/491031500.db2.gz NWIUVDJIBIDJRT-SNVBAGLBSA-N 0 3 195.266 0.924 20 0 ACADHN CCCC(=O)N[C@@H](C)CN(C)C 130751876 491034274 /nfs/dbraw/zinc/03/42/74/491034274.db2.gz FZPDVEAAMVNZMN-QMMMGPOBSA-N 0 3 172.272 0.853 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)c1cn[nH]c1 130685513 491034288 /nfs/dbraw/zinc/03/42/88/491034288.db2.gz WVEWJALMSAZRPE-ZETCQYMHSA-N 0 3 196.254 0.090 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)c1ccco1 130752289 491034292 /nfs/dbraw/zinc/03/42/92/491034292.db2.gz MPSONUBVPFFWJN-QMMMGPOBSA-N 0 3 196.250 0.960 20 0 ACADHN C[C@H](Cn1cccn1)NCCF 87689918 491031772 /nfs/dbraw/zinc/03/17/72/491031772.db2.gz NPYXBFKIASTIGG-MRVPVSSYSA-N 0 3 171.219 0.831 20 0 ACADHN C[C@@H](Cn1cccn1)NCCF 87689917 491031785 /nfs/dbraw/zinc/03/17/85/491031785.db2.gz NPYXBFKIASTIGG-QMMMGPOBSA-N 0 3 171.219 0.831 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)C1CC1 130750194 491034302 /nfs/dbraw/zinc/03/43/02/491034302.db2.gz FYUAUOSKCXAVEQ-ZETCQYMHSA-N 0 3 170.256 0.463 20 0 ACADHN CCOC[C@@H](C)NCCF 87775007 491031942 /nfs/dbraw/zinc/03/19/42/491031942.db2.gz NUPPWJXNMTYYNY-SSDOTTSWSA-N 0 3 149.209 0.971 20 0 ACADHN FCCNC1CCOCC1 87774782 491032032 /nfs/dbraw/zinc/03/20/32/491032032.db2.gz KQXODSBSEGZYFF-UHFFFAOYSA-N 0 3 147.193 0.725 20 0 ACADHN CCOC[C@H](C)NCCF 87775008 491032062 /nfs/dbraw/zinc/03/20/62/491032062.db2.gz NUPPWJXNMTYYNY-ZETCQYMHSA-N 0 3 149.209 0.971 20 0 ACADHN CCOCCN1CCC(C)(O)CC1 87781188 491032124 /nfs/dbraw/zinc/03/21/24/491032124.db2.gz LTSNPJQUWOKYBD-UHFFFAOYSA-N 0 3 187.283 0.870 20 0 ACADHN COCC[C@H](C)NCCF 87775240 491032132 /nfs/dbraw/zinc/03/21/32/491032132.db2.gz ABBFXMNIZCDJIH-ZETCQYMHSA-N 0 3 149.209 0.971 20 0 ACADHN Cc1ccc(CNC[C@H](C)O)nc1 87782030 491032155 /nfs/dbraw/zinc/03/21/55/491032155.db2.gz GRNATEBFMZZIGT-VIFPVBQESA-N 0 3 180.251 0.860 20 0 ACADHN CC[C@@H](COC)NCCF 87775217 491032177 /nfs/dbraw/zinc/03/21/77/491032177.db2.gz HVPNRLZFMLYYOE-ZETCQYMHSA-N 0 3 149.209 0.971 20 0 ACADHN COCC[C@@H](C)NCCF 87775241 491032192 /nfs/dbraw/zinc/03/21/92/491032192.db2.gz ABBFXMNIZCDJIH-SSDOTTSWSA-N 0 3 149.209 0.971 20 0 ACADHN Cc1ccc(CNC[C@@H](C)O)nc1 87782028 491032210 /nfs/dbraw/zinc/03/22/10/491032210.db2.gz GRNATEBFMZZIGT-SECBINFHSA-N 0 3 180.251 0.860 20 0 ACADHN CC[C@H](COC)NCCF 87775218 491032224 /nfs/dbraw/zinc/03/22/24/491032224.db2.gz HVPNRLZFMLYYOE-SSDOTTSWSA-N 0 3 149.209 0.971 20 0 ACADHN CC(C)OCCN(C)CCC(N)=O 87782634 491032286 /nfs/dbraw/zinc/03/22/86/491032286.db2.gz QNKAKXCOPIRDMT-UHFFFAOYSA-N 0 3 188.271 0.219 20 0 ACADHN Cc1ccc(CN[C@H](C)CO)nc1 87782589 491032291 /nfs/dbraw/zinc/03/22/91/491032291.db2.gz JIELBAFNOXIOBZ-SECBINFHSA-N 0 3 180.251 0.860 20 0 ACADHN c1cc(CN[C@H]2CCOC2)c[nH]1 87784137 491032317 /nfs/dbraw/zinc/03/23/17/491032317.db2.gz NLQAICZRLJYWLZ-VIFPVBQESA-N 0 3 166.224 0.893 20 0 ACADHN Cc1ccc(CNCCO)nc1 87782162 491032344 /nfs/dbraw/zinc/03/23/44/491032344.db2.gz HMBZNFJZJRTQIR-UHFFFAOYSA-N 0 3 166.224 0.472 20 0 ACADHN Cc1ccc(CN[C@@H](C)CO)nc1 87782587 491032351 /nfs/dbraw/zinc/03/23/51/491032351.db2.gz JIELBAFNOXIOBZ-VIFPVBQESA-N 0 3 180.251 0.860 20 0 ACADHN Cc1ccc(CNCCCO)nc1 87782079 491032369 /nfs/dbraw/zinc/03/23/69/491032369.db2.gz JGLLSGKWPCNQRK-UHFFFAOYSA-N 0 3 180.251 0.862 20 0 ACADHN Cn1cncc1CN[C@H]1CCOC1 87783181 491032387 /nfs/dbraw/zinc/03/23/87/491032387.db2.gz JKRVCMVHLBMRCS-QMMMGPOBSA-N 0 3 181.239 0.299 20 0 ACADHN CCOCCN(C)C[C@@H](O)CC 87978644 491032448 /nfs/dbraw/zinc/03/24/48/491032448.db2.gz ZWSXBFGDVYERDU-VIFPVBQESA-N 0 3 175.272 0.726 20 0 ACADHN CCOCCN(C)CCCO 87978641 491032470 /nfs/dbraw/zinc/03/24/70/491032470.db2.gz LDKUORFDHWLRSG-UHFFFAOYSA-N 0 3 161.245 0.337 20 0 ACADHN CCOCCN(C)C[C@H](O)CC 87978645 491032508 /nfs/dbraw/zinc/03/25/08/491032508.db2.gz ZWSXBFGDVYERDU-SECBINFHSA-N 0 3 175.272 0.726 20 0 ACADHN Cn1cc(CNCCCF)cn1 88024645 491032659 /nfs/dbraw/zinc/03/26/59/491032659.db2.gz KATXUYKPUPZKPJ-UHFFFAOYSA-N 0 3 171.219 0.869 20 0 ACADHN Cn1nccc1CNCCCF 88024939 491032705 /nfs/dbraw/zinc/03/27/05/491032705.db2.gz UQAWHOOKPGCOKQ-UHFFFAOYSA-N 0 3 171.219 0.869 20 0 ACADHN C[C@H](CS(C)(=O)=O)NCCCF 88025022 491032711 /nfs/dbraw/zinc/03/27/11/491032711.db2.gz NZFFFUUFRCNAON-SSDOTTSWSA-N 0 3 197.275 0.369 20 0 ACADHN C[C@@H](CS(C)(=O)=O)NCCCF 88025021 491032750 /nfs/dbraw/zinc/03/27/50/491032750.db2.gz NZFFFUUFRCNAON-ZETCQYMHSA-N 0 3 197.275 0.369 20 0 ACADHN CC(C)CN1C[C@@H](CO)OC[C@H]1C 88094255 491032990 /nfs/dbraw/zinc/03/29/90/491032990.db2.gz WCLVRXNSIQUKAJ-ZJUUUORDSA-N 0 3 187.283 0.724 20 0 ACADHN C[C@H]1CO[C@@H](CO)CN1CCC1CC1 88094564 491032993 /nfs/dbraw/zinc/03/29/93/491032993.db2.gz VLFGTGDJNRXFJS-GXSJLCMTSA-N 0 3 199.294 0.868 20 0 ACADHN CC(C)CN1C[C@@H](CO)OC[C@@H]1C 88094256 491032999 /nfs/dbraw/zinc/03/29/99/491032999.db2.gz WCLVRXNSIQUKAJ-UWVGGRQHSA-N 0 3 187.283 0.724 20 0 ACADHN C[C@H]1CO[C@H](CO)CN1CCC1CC1 88094562 491033028 /nfs/dbraw/zinc/03/30/28/491033028.db2.gz VLFGTGDJNRXFJS-ONGXEEELSA-N 0 3 199.294 0.868 20 0 ACADHN CCCCN1C[C@H](CO)OC[C@@H]1C 88094329 491033065 /nfs/dbraw/zinc/03/30/65/491033065.db2.gz ATXVIIDVDLBKEY-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@@H]1CO[C@@H](CO)CN1CC1CC1 88094275 491033068 /nfs/dbraw/zinc/03/30/68/491033068.db2.gz HBVBKDZRYYUFDF-PSASIEDQSA-N 0 3 185.267 0.478 20 0 ACADHN CCCCN1C[C@@H](CO)OC[C@@H]1C 88094330 491033074 /nfs/dbraw/zinc/03/30/74/491033074.db2.gz ATXVIIDVDLBKEY-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN CC(C)CN1C[C@H](CO)OC[C@@H]1C 88094258 491033081 /nfs/dbraw/zinc/03/30/81/491033081.db2.gz WCLVRXNSIQUKAJ-VHSXEESVSA-N 0 3 187.283 0.724 20 0 ACADHN C[C@H]1CO[C@@H](CO)CN1CC1CC1 88094276 491033099 /nfs/dbraw/zinc/03/30/99/491033099.db2.gz HBVBKDZRYYUFDF-WCBMZHEXSA-N 0 3 185.267 0.478 20 0 ACADHN C[C@H]1CO[C@H](CO)CN1CC1CCC1 88094250 491033149 /nfs/dbraw/zinc/03/31/49/491033149.db2.gz VSQGBPFZMGQOFQ-ONGXEEELSA-N 0 3 199.294 0.868 20 0 ACADHN CC(C)CN1C[C@H](CO)OC[C@H]1C 88094257 491033152 /nfs/dbraw/zinc/03/31/52/491033152.db2.gz WCLVRXNSIQUKAJ-NXEZZACHSA-N 0 3 187.283 0.724 20 0 ACADHN C[C@@H]1CO[C@@H](CO)CN1CC1CCC1 88094251 491033156 /nfs/dbraw/zinc/03/31/56/491033156.db2.gz VSQGBPFZMGQOFQ-MWLCHTKSSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@@H]1CO[C@@H](CO)CN1CCC1CC1 88094563 491033159 /nfs/dbraw/zinc/03/31/59/491033159.db2.gz VLFGTGDJNRXFJS-MWLCHTKSSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@H]1CO[C@@H](CO)CN1CC1CCC1 88094252 491033167 /nfs/dbraw/zinc/03/31/67/491033167.db2.gz VSQGBPFZMGQOFQ-GXSJLCMTSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@@H]1CO[C@H](CO)CN1CC1CC1 88094273 491033171 /nfs/dbraw/zinc/03/31/71/491033171.db2.gz HBVBKDZRYYUFDF-SCZZXKLOSA-N 0 3 185.267 0.478 20 0 ACADHN C[C@H]1CO[C@H](CO)CN1CC1CC1 88094274 491033177 /nfs/dbraw/zinc/03/31/77/491033177.db2.gz HBVBKDZRYYUFDF-WPRPVWTQSA-N 0 3 185.267 0.478 20 0 ACADHN C[C@@H]1CO[C@H](CO)CN1CCC1CC1 88094561 491033185 /nfs/dbraw/zinc/03/31/85/491033185.db2.gz VLFGTGDJNRXFJS-KOLCDFICSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@@H]1CO[C@H](CO)CN1CC1CCC1 88094249 491033216 /nfs/dbraw/zinc/03/32/16/491033216.db2.gz VSQGBPFZMGQOFQ-KOLCDFICSA-N 0 3 199.294 0.868 20 0 ACADHN Cn1nccc1CNCC(C)(C)CO 88170737 491033346 /nfs/dbraw/zinc/03/33/46/491033346.db2.gz OTQWKAMRLJJXFW-UHFFFAOYSA-N 0 3 197.282 0.528 20 0 ACADHN Cn1cc(CNCC(C)(C)CO)cn1 88170547 491033352 /nfs/dbraw/zinc/03/33/52/491033352.db2.gz CZUPPLZZMXXSOB-UHFFFAOYSA-N 0 3 197.282 0.528 20 0 ACADHN Cc1n[nH]cc1CNCC(C)(C)CO 88170499 491033380 /nfs/dbraw/zinc/03/33/80/491033380.db2.gz ODLYWXKCELDSCR-UHFFFAOYSA-N 0 3 197.282 0.826 20 0 ACADHN Cn1nncc1CNC1CC=CC1 131184443 491034534 /nfs/dbraw/zinc/03/45/34/491034534.db2.gz ZCYYPLSYJQIXKH-UHFFFAOYSA-N 0 3 178.239 0.623 20 0 ACADHN CC[C@@H](NC[C@@H](C)O)c1cnn(C)c1 131844537 491035427 /nfs/dbraw/zinc/03/54/27/491035427.db2.gz WLEQCDKDDDFOQO-PSASIEDQSA-N 0 3 197.282 0.842 20 0 ACADHN CCNC(=O)CN[C@@H](C)[C@H](C)OC 132162867 491036036 /nfs/dbraw/zinc/03/60/36/491036036.db2.gz XMDZNLGSCPONFP-YUMQZZPRSA-N 0 3 188.271 0.136 20 0 ACADHN CC[C@H](O)CCNCc1c[nH]nc1C 131715281 491035160 /nfs/dbraw/zinc/03/51/60/491035160.db2.gz ZWPUUGQTUOUYLJ-JTQLQIEISA-N 0 3 197.282 0.969 20 0 ACADHN CC[C@H](NC[C@@H](C)O)c1cnn(C)c1 131844350 491035388 /nfs/dbraw/zinc/03/53/88/491035388.db2.gz WLEQCDKDDDFOQO-SCZZXKLOSA-N 0 3 197.282 0.842 20 0 ACADHN CC[C@@H](O)CCNCc1ccnn1C 131709570 491035056 /nfs/dbraw/zinc/03/50/56/491035056.db2.gz RSUOBTCKJCPEBD-SNVBAGLBSA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@H](O)CCNCc1ccnn1C 131709374 491035088 /nfs/dbraw/zinc/03/50/88/491035088.db2.gz RSUOBTCKJCPEBD-JTQLQIEISA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@@H](O)CCNCc1cnnn1C 131705176 491035093 /nfs/dbraw/zinc/03/50/93/491035093.db2.gz ADDCNFPJLMBKLT-SECBINFHSA-N 0 3 198.270 0.066 20 0 ACADHN CC[C@@H](O)CCNCc1cncn1C 131708300 491035101 /nfs/dbraw/zinc/03/51/01/491035101.db2.gz CNMYXXLWUQDCFG-SNVBAGLBSA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@H](O)CCNCc1cncn1C 131708121 491035121 /nfs/dbraw/zinc/03/51/21/491035121.db2.gz CNMYXXLWUQDCFG-JTQLQIEISA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@H](O)CCNCc1cnnn1C 131704958 491035123 /nfs/dbraw/zinc/03/51/23/491035123.db2.gz ADDCNFPJLMBKLT-VIFPVBQESA-N 0 3 198.270 0.066 20 0 ACADHN CC[C@@H](O)CCNCc1c[nH]nc1C 131715483 491035154 /nfs/dbraw/zinc/03/51/54/491035154.db2.gz ZWPUUGQTUOUYLJ-SNVBAGLBSA-N 0 3 197.282 0.969 20 0 ACADHN CC[C@H](O)CCNCc1cnn(C)c1 131727255 491035252 /nfs/dbraw/zinc/03/52/52/491035252.db2.gz JFIFLPKQMPKUJN-JTQLQIEISA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@@H](NC[C@H](C)O)c1cnn(C)c1 131755224 491035275 /nfs/dbraw/zinc/03/52/75/491035275.db2.gz WLEQCDKDDDFOQO-WCBMZHEXSA-N 0 3 197.282 0.842 20 0 ACADHN CC[C@H](NC[C@H](C)O)c1cnn(C)c1 131754999 491035309 /nfs/dbraw/zinc/03/53/09/491035309.db2.gz WLEQCDKDDDFOQO-WPRPVWTQSA-N 0 3 197.282 0.842 20 0 ACADHN CC[C@@H](O)CCNCc1cnn(C)c1 131727489 491035314 /nfs/dbraw/zinc/03/53/14/491035314.db2.gz JFIFLPKQMPKUJN-SNVBAGLBSA-N 0 3 197.282 0.671 20 0 ACADHN C[C@H](CO)N(C)C[C@@H]1CCCCO1 133432620 491037731 /nfs/dbraw/zinc/03/77/31/491037731.db2.gz KLOHSINZWRJLFD-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H](NCCCO)c1nccn1C 132077943 491035898 /nfs/dbraw/zinc/03/58/98/491035898.db2.gz QVSHFNJERFUMLQ-VIFPVBQESA-N 0 3 197.282 0.843 20 0 ACADHN CC[C@@H](NCCCO)c1nccn1C 132078156 491035978 /nfs/dbraw/zinc/03/59/78/491035978.db2.gz QVSHFNJERFUMLQ-SECBINFHSA-N 0 3 197.282 0.843 20 0 ACADHN CCNC(=O)CN[C@@H](C)[C@@H](C)OC 132162492 491036010 /nfs/dbraw/zinc/03/60/10/491036010.db2.gz XMDZNLGSCPONFP-JGVFFNPUSA-N 0 3 188.271 0.136 20 0 ACADHN CCNC(=O)CN[C@H](C)[C@H](C)OC 132163064 491036017 /nfs/dbraw/zinc/03/60/17/491036017.db2.gz XMDZNLGSCPONFP-SFYZADRCSA-N 0 3 188.271 0.136 20 0 ACADHN CCNC(=O)CN[C@H](C)[C@@H](C)OC 132162681 491036097 /nfs/dbraw/zinc/03/60/97/491036097.db2.gz XMDZNLGSCPONFP-HTQZYQBOSA-N 0 3 188.271 0.136 20 0 ACADHN C[C@@H](NCCO)c1cncs1 132212309 491036142 /nfs/dbraw/zinc/03/61/42/491036142.db2.gz MKSSMZTUFDDFCF-ZCFIWIBFSA-N 0 3 172.253 0.786 20 0 ACADHN C[C@H](NCCO)c1cncs1 132212112 491036154 /nfs/dbraw/zinc/03/61/54/491036154.db2.gz MKSSMZTUFDDFCF-LURJTMIESA-N 0 3 172.253 0.786 20 0 ACADHN CO[C@@H](C)[C@@H](C)NCc1ccnn1C 132361336 491036249 /nfs/dbraw/zinc/03/62/49/491036249.db2.gz WCKQJVASBCJJDL-BDAKNGLRSA-N 0 3 197.282 0.933 20 0 ACADHN CO[C@H](C)[C@@H](C)NCc1ccnn1C 132360969 491036276 /nfs/dbraw/zinc/03/62/76/491036276.db2.gz WCKQJVASBCJJDL-RKDXNWHRSA-N 0 3 197.282 0.933 20 0 ACADHN CO[C@@H](C)[C@H](C)NCc1cnn(C)c1 132610150 491036585 /nfs/dbraw/zinc/03/65/85/491036585.db2.gz CXMYWMNWIITQMB-IUCAKERBSA-N 0 3 197.282 0.933 20 0 ACADHN CO[C@H](C)[C@@H](C)NCc1cnn(C)c1 132609966 491036594 /nfs/dbraw/zinc/03/65/94/491036594.db2.gz CXMYWMNWIITQMB-RKDXNWHRSA-N 0 3 197.282 0.933 20 0 ACADHN CO[C@H](C)[C@H](C)NCc1cnn(C)c1 132609766 491036604 /nfs/dbraw/zinc/03/66/04/491036604.db2.gz CXMYWMNWIITQMB-DTWKUNHWSA-N 0 3 197.282 0.933 20 0 ACADHN C[C@H](CO)N(C)C[C@@H]1CCCO1 132634878 491036607 /nfs/dbraw/zinc/03/66/07/491036607.db2.gz RVJFPHJQGCRPMK-BDAKNGLRSA-N 0 3 173.256 0.478 20 0 ACADHN CO[C@@H](C)[C@@H](C)NCc1cnn(C)c1 132610346 491036610 /nfs/dbraw/zinc/03/66/10/491036610.db2.gz CXMYWMNWIITQMB-BDAKNGLRSA-N 0 3 197.282 0.933 20 0 ACADHN COC(C)(C)CNCc1ccnn1C 133106559 491037267 /nfs/dbraw/zinc/03/72/67/491037267.db2.gz ZFARHRZNPPBIAN-UHFFFAOYSA-N 0 3 197.282 0.935 20 0 ACADHN CN1CCN(CCn2ccnc2)CC1 132727119 491036819 /nfs/dbraw/zinc/03/68/19/491036819.db2.gz KNMPLSCJUCMFEP-UHFFFAOYSA-N 0 3 194.282 0.131 20 0 ACADHN CC(C)NCc1ccc(C(N)=O)nc1 132824586 491036948 /nfs/dbraw/zinc/03/69/48/491036948.db2.gz QEAQNDNUGSDFBF-UHFFFAOYSA-N 0 3 193.250 0.679 20 0 ACADHN Cn1cncc1CNCC(C)(C)CO 133522599 491037788 /nfs/dbraw/zinc/03/77/88/491037788.db2.gz KVGZQYKGCFGQRS-UHFFFAOYSA-N 0 3 197.282 0.528 20 0 ACADHN CCN1CC[C@@H](NC(C)=O)C1 204351457 491040362 /nfs/dbraw/zinc/04/03/62/491040362.db2.gz QRUQNGVSCYNOAY-MRVPVSSYSA-N 0 3 156.229 0.217 20 0 ACADHN C[C@@H](O)CCN(C)[C@@H]1CCOC1 133759449 491038027 /nfs/dbraw/zinc/03/80/27/491038027.db2.gz NRYXLURCZDCGOF-RKDXNWHRSA-N 0 3 173.256 0.478 20 0 ACADHN C[C@H](O)CCN(C)[C@@H]1CCOC1 133759258 491038043 /nfs/dbraw/zinc/03/80/43/491038043.db2.gz NRYXLURCZDCGOF-DTWKUNHWSA-N 0 3 173.256 0.478 20 0 ACADHN CN(C[C@@H](O)C1CC1)[C@@H]1CCOC1 133749692 491038081 /nfs/dbraw/zinc/03/80/81/491038081.db2.gz YMUAUGZFZBQIJT-NXEZZACHSA-N 0 3 185.267 0.478 20 0 ACADHN CN(C[C@H](O)C1CC1)[C@@H]1CCOC1 133749485 491038116 /nfs/dbraw/zinc/03/81/16/491038116.db2.gz YMUAUGZFZBQIJT-ZJUUUORDSA-N 0 3 185.267 0.478 20 0 ACADHN CN(CCC(C)(C)O)[C@@H]1CCOC1 133759124 491038136 /nfs/dbraw/zinc/03/81/36/491038136.db2.gz CYTAKYXHOTYCRE-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN CN(CCC(C)(C)O)[C@H]1CCOC1 133759328 491038139 /nfs/dbraw/zinc/03/81/39/491038139.db2.gz CYTAKYXHOTYCRE-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN COCCN(CCO)CCCF 133782689 491038239 /nfs/dbraw/zinc/03/82/39/491038239.db2.gz MVQKYBIHZLHZQJ-UHFFFAOYSA-N 0 3 179.235 0.287 20 0 ACADHN CC(C)OCCNCc1cncn1C 134125888 491038590 /nfs/dbraw/zinc/03/85/90/491038590.db2.gz CAMCIACMYMZWRM-UHFFFAOYSA-N 0 3 197.282 0.935 20 0 ACADHN C[C@H]1OCC[C@H]1NCC(=O)NC1CC1 134382234 491038837 /nfs/dbraw/zinc/03/88/37/491038837.db2.gz NGOWFFOGMRUEMW-VXNVDRBHSA-N 0 3 198.266 0.032 20 0 ACADHN C[C@@H]1OCC[C@@H]1NCC(=O)NC1CC1 134382294 491038902 /nfs/dbraw/zinc/03/89/02/491038902.db2.gz NGOWFFOGMRUEMW-CBAPKCEASA-N 0 3 198.266 0.032 20 0 ACADHN C[C@H]1OCC[C@@H]1NCC(=O)NC1CC1 134382273 491038904 /nfs/dbraw/zinc/03/89/04/491038904.db2.gz NGOWFFOGMRUEMW-APPZFPTMSA-N 0 3 198.266 0.032 20 0 ACADHN C[C@@H]1OCC[C@H]1NCC(=O)NC1CC1 134382254 491038923 /nfs/dbraw/zinc/03/89/23/491038923.db2.gz NGOWFFOGMRUEMW-IONNQARKSA-N 0 3 198.266 0.032 20 0 ACADHN Cc1n[nH]cc1[C@H](C)NCCCO 134541842 491038941 /nfs/dbraw/zinc/03/89/41/491038941.db2.gz HUNWFGJVVGWKHQ-ZETCQYMHSA-N 0 3 183.255 0.751 20 0 ACADHN Cc1n[nH]cc1[C@@H](C)NC[C@@H](C)CO 134550928 491038950 /nfs/dbraw/zinc/03/89/50/491038950.db2.gz NYYWCHRWFCMIQZ-HTQZYQBOSA-N 0 3 197.282 0.997 20 0 ACADHN Cc1n[nH]cc1[C@@H](C)NCCCO 134541824 491038956 /nfs/dbraw/zinc/03/89/56/491038956.db2.gz HUNWFGJVVGWKHQ-SSDOTTSWSA-N 0 3 183.255 0.751 20 0 ACADHN Cc1n[nH]cc1[C@H](C)N[C@H](C)CO 134550286 491038959 /nfs/dbraw/zinc/03/89/59/491038959.db2.gz YVUSAGBZURHQAL-RQJHMYQMSA-N 0 3 183.255 0.750 20 0 ACADHN Cc1n[nH]cc1[C@@H](C)NC[C@H](C)CO 134550975 491038971 /nfs/dbraw/zinc/03/89/71/491038971.db2.gz NYYWCHRWFCMIQZ-JGVFFNPUSA-N 0 3 197.282 0.997 20 0 ACADHN Cc1n[nH]cc1[C@@H](C)NCCO 134545896 491038988 /nfs/dbraw/zinc/03/89/88/491038988.db2.gz NQFOCHFXBBSBAL-ZCFIWIBFSA-N 0 3 169.228 0.361 20 0 ACADHN Cc1n[nH]cc1[C@H](C)NC[C@H](C)O 134539507 491039058 /nfs/dbraw/zinc/03/90/58/491039058.db2.gz MSSKALTXSQZIRG-BQBZGAKWSA-N 0 3 183.255 0.750 20 0 ACADHN Cc1n[nH]cc1[C@@H](C)NC[C@@H](C)O 134539446 491039066 /nfs/dbraw/zinc/03/90/66/491039066.db2.gz MSSKALTXSQZIRG-RNFRBKRXSA-N 0 3 183.255 0.750 20 0 ACADHN Cc1n[nH]cc1[C@H](C)NCCO 134545914 491039070 /nfs/dbraw/zinc/03/90/70/491039070.db2.gz NQFOCHFXBBSBAL-LURJTMIESA-N 0 3 169.228 0.361 20 0 ACADHN Cc1n[nH]cc1[C@@H](C)NC[C@H](C)O 134539486 491039081 /nfs/dbraw/zinc/03/90/81/491039081.db2.gz MSSKALTXSQZIRG-NKWVEPMBSA-N 0 3 183.255 0.750 20 0 ACADHN Cc1n[nH]cc1[C@H](C)NC[C@H](C)CO 134550997 491039089 /nfs/dbraw/zinc/03/90/89/491039089.db2.gz NYYWCHRWFCMIQZ-YUMQZZPRSA-N 0 3 197.282 0.997 20 0 ACADHN Cc1n[nH]cc1[C@@H](C)N[C@H](C)CO 134550260 491039095 /nfs/dbraw/zinc/03/90/95/491039095.db2.gz YVUSAGBZURHQAL-RNFRBKRXSA-N 0 3 183.255 0.750 20 0 ACADHN Cc1n[nH]cc1[C@H](C)NC[C@@H](C)O 134539464 491039106 /nfs/dbraw/zinc/03/91/06/491039106.db2.gz MSSKALTXSQZIRG-RQJHMYQMSA-N 0 3 183.255 0.750 20 0 ACADHN Cc1n[nH]cc1[C@H](C)NC[C@@H](C)CO 134550953 491039111 /nfs/dbraw/zinc/03/91/11/491039111.db2.gz NYYWCHRWFCMIQZ-SFYZADRCSA-N 0 3 197.282 0.997 20 0 ACADHN Cc1n[nH]cc1[C@@H](C)N[C@@H](C)CO 134574481 491039233 /nfs/dbraw/zinc/03/92/33/491039233.db2.gz YVUSAGBZURHQAL-NKWVEPMBSA-N 0 3 183.255 0.750 20 0 ACADHN Cc1n[nH]cc1[C@H](C)N[C@@H](C)CO 134574505 491039261 /nfs/dbraw/zinc/03/92/61/491039261.db2.gz YVUSAGBZURHQAL-BQBZGAKWSA-N 0 3 183.255 0.750 20 0 ACADHN OCCOCCCNCc1ccco1 134667934 491039356 /nfs/dbraw/zinc/03/93/56/491039356.db2.gz WMLQHTAUUYEUFP-UHFFFAOYSA-N 0 3 199.250 0.768 20 0 ACADHN CC(=O)N(CCN(C)C)C(C)C 221913166 491040727 /nfs/dbraw/zinc/04/07/27/491040727.db2.gz ODIHRRNGUGTORB-UHFFFAOYSA-N 0 3 172.272 0.805 20 0 ACADHN COC[C@@H](C)N[C@@H]1C=C[C@H](CO)C1 134810132 491039477 /nfs/dbraw/zinc/03/94/77/491039477.db2.gz SRGUKMQOFLXJDX-KXUCPTDWSA-N 0 3 185.267 0.548 20 0 ACADHN COC[C@H](C)N[C@@H]1C=C[C@H](CO)C1 134810108 491039483 /nfs/dbraw/zinc/03/94/83/491039483.db2.gz SRGUKMQOFLXJDX-LPEHRKFASA-N 0 3 185.267 0.548 20 0 ACADHN COCC(C)(C)NCc1ccnn1C 135069801 491039559 /nfs/dbraw/zinc/03/95/59/491039559.db2.gz WQFHDZIIUCNJHB-UHFFFAOYSA-N 0 3 197.282 0.935 20 0 ACADHN Cc1ccncc1CNCCC(N)=O 135438100 491039694 /nfs/dbraw/zinc/03/96/94/491039694.db2.gz VWDMJLCTIVABKP-UHFFFAOYSA-N 0 3 193.250 0.355 20 0 ACADHN CC[C@H]1CO[C@H](C)CN1C[C@H](C)O 158496452 491039956 /nfs/dbraw/zinc/03/99/56/491039956.db2.gz ZGTOLZKJMRILCE-AEJSXWLSSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H]1CO[C@@H](C)CN1C[C@H](C)O 158496738 491040009 /nfs/dbraw/zinc/04/00/09/491040009.db2.gz ZGTOLZKJMRILCE-GUBZILKMSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H](O)CNCc1cn(C)nc1C 163487336 491040040 /nfs/dbraw/zinc/04/00/40/491040040.db2.gz MEMQXYVXOGHPQC-SNVBAGLBSA-N 0 3 197.282 0.589 20 0 ACADHN CC[C@H](O)CNCc1cn(C)nc1C 163487212 491040072 /nfs/dbraw/zinc/04/00/72/491040072.db2.gz MEMQXYVXOGHPQC-JTQLQIEISA-N 0 3 197.282 0.589 20 0 ACADHN C[C@@H](N[C@H](C)[C@@H]1CCCO1)C(N)=O 222459884 491041045 /nfs/dbraw/zinc/04/10/45/491041045.db2.gz KXDYBFBLSSEYOT-PRJMDXOYSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H](N[C@H](C)C(N)=O)[C@@H]1CCCO1 222459822 491041091 /nfs/dbraw/zinc/04/10/91/491041091.db2.gz KXDYBFBLSSEYOT-RNJXMRFFSA-N 0 3 186.255 0.017 20 0 ACADHN CN1CCN([C@@H]2CCCOC2)CC1 223197230 491041248 /nfs/dbraw/zinc/04/12/48/491041248.db2.gz FFDQXUNRWBVZJE-SNVBAGLBSA-N 0 3 184.283 0.413 20 0 ACADHN CN1CCN([C@H]2CCCOC2)CC1 223197279 491041320 /nfs/dbraw/zinc/04/13/20/491041320.db2.gz FFDQXUNRWBVZJE-JTQLQIEISA-N 0 3 184.283 0.413 20 0 ACADHN CCCCN(CC)CC(=O)NC 224129233 491041582 /nfs/dbraw/zinc/04/15/82/491041582.db2.gz XKOSFFPNEBDRQR-UHFFFAOYSA-N 0 3 172.272 0.854 20 0 ACADHN CN(C[C@@H]1CCCO1)C[C@@H](O)C1CC1 225547011 491042254 /nfs/dbraw/zinc/04/22/54/491042254.db2.gz BHIIGUQWYBDFEL-WDEREUQCSA-N 0 3 199.294 0.868 20 0 ACADHN CCC(=O)NCCOCCN(C)C 226265519 491042581 /nfs/dbraw/zinc/04/25/81/491042581.db2.gz NSVQEBAZVIMZFR-UHFFFAOYSA-N 0 3 188.271 0.091 20 0 ACADHN CCCNC(=O)CNCC1(C)CC1 226372906 491042644 /nfs/dbraw/zinc/04/26/44/491042644.db2.gz ONRHYOCLYQFDSO-UHFFFAOYSA-N 0 3 184.283 0.902 20 0 ACADHN CC1(CNCC(=O)NC2CC2)CC1 226373869 491042711 /nfs/dbraw/zinc/04/27/11/491042711.db2.gz CXXILNDAKUNNCP-UHFFFAOYSA-N 0 3 182.267 0.655 20 0 ACADHN CC(C)NC(=O)CNCC1(C)CC1 226373000 491042741 /nfs/dbraw/zinc/04/27/41/491042741.db2.gz SNCPSZXJZYHWFO-UHFFFAOYSA-N 0 3 184.283 0.901 20 0 ACADHN CC1(CNCC(=O)NCC2CC2)CC1 226387054 491042854 /nfs/dbraw/zinc/04/28/54/491042854.db2.gz VGEUDYYWFDZUQF-UHFFFAOYSA-N 0 3 196.294 0.902 20 0 ACADHN C[C@H](O)CCCNCc1ccnn1C 227960719 491044102 /nfs/dbraw/zinc/04/41/02/491044102.db2.gz NTYXLGVODJHTJO-VIFPVBQESA-N 0 3 197.282 0.671 20 0 ACADHN Cc1n[nH]cc1CNCCC[C@@H](C)O 227963750 491044110 /nfs/dbraw/zinc/04/41/10/491044110.db2.gz QQMADVNGJYXSDB-MRVPVSSYSA-N 0 3 197.282 0.969 20 0 ACADHN Cn1nncc1CNC[C@@H]1CC1(C)C 227125692 491043343 /nfs/dbraw/zinc/04/33/43/491043343.db2.gz GTSXHVCGXGDZHU-QMMMGPOBSA-N 0 3 194.282 0.951 20 0 ACADHN Cn1nncc1CNCC1(C)CC1 227127395 491043390 /nfs/dbraw/zinc/04/33/90/491043390.db2.gz JXDMGDYPYYMTAQ-UHFFFAOYSA-N 0 3 180.255 0.705 20 0 ACADHN Cn1nncc1CNC[C@H]1CC1(C)C 227125699 491043416 /nfs/dbraw/zinc/04/34/16/491043416.db2.gz GTSXHVCGXGDZHU-MRVPVSSYSA-N 0 3 194.282 0.951 20 0 ACADHN C[C@H](O)CCCNCc1cncn1C 227961019 491044133 /nfs/dbraw/zinc/04/41/33/491044133.db2.gz IONLDJFKYRCFHM-VIFPVBQESA-N 0 3 197.282 0.671 20 0 ACADHN C[C@@H](O)CCCNCc1ccnn1C 227960707 491044164 /nfs/dbraw/zinc/04/41/64/491044164.db2.gz NTYXLGVODJHTJO-SECBINFHSA-N 0 3 197.282 0.671 20 0 ACADHN C[C@@H](O)CCCNCc1cnn(C)c1 227963573 491044172 /nfs/dbraw/zinc/04/41/72/491044172.db2.gz IGTVPJUNPICAOJ-SECBINFHSA-N 0 3 197.282 0.671 20 0 ACADHN Cc1n[nH]cc1CNCCC[C@H](C)O 227963759 491044184 /nfs/dbraw/zinc/04/41/84/491044184.db2.gz QQMADVNGJYXSDB-QMMMGPOBSA-N 0 3 197.282 0.969 20 0 ACADHN C[C@H](O)CNCc1cccc(CO)c1 227468055 491043670 /nfs/dbraw/zinc/04/36/70/491043670.db2.gz KMPSIVDHIHLWDX-VIFPVBQESA-N 0 3 195.262 0.649 20 0 ACADHN C[C@@H](O)CCCNCc1cncn1C 227961006 491044204 /nfs/dbraw/zinc/04/42/04/491044204.db2.gz IONLDJFKYRCFHM-SECBINFHSA-N 0 3 197.282 0.671 20 0 ACADHN C[C@@H](O)CNCc1cccc(CO)c1 227468049 491043737 /nfs/dbraw/zinc/04/37/37/491043737.db2.gz KMPSIVDHIHLWDX-SECBINFHSA-N 0 3 195.262 0.649 20 0 ACADHN COC[C@H](CNCc1cc[nH]c1)OC 227704112 491043773 /nfs/dbraw/zinc/04/37/73/491043773.db2.gz ZRPIDNDFOSIQSC-JTQLQIEISA-N 0 3 198.266 0.766 20 0 ACADHN COC[C@@H](CNCc1cc[nH]c1)OC 227704110 491043856 /nfs/dbraw/zinc/04/38/56/491043856.db2.gz ZRPIDNDFOSIQSC-SNVBAGLBSA-N 0 3 198.266 0.766 20 0 ACADHN C[C@H](O)CCCNCc1cnn(C)c1 227963582 491044087 /nfs/dbraw/zinc/04/40/87/491044087.db2.gz IGTVPJUNPICAOJ-VIFPVBQESA-N 0 3 197.282 0.671 20 0 ACADHN C[C@@H](NC1CC(C)(C)C1)C(N)=O 306260282 491047360 /nfs/dbraw/zinc/04/73/60/491047360.db2.gz JYNNMKQEEUQEOW-ZCFIWIBFSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@@H]1NCCN(C(=O)[C@H]2C[C@H]2C)[C@H]1C 306327123 491048547 /nfs/dbraw/zinc/04/85/47/491048547.db2.gz WVSQYRJOLBCALC-KATARQTJSA-N 0 3 196.294 0.851 20 0 ACADHN C[C@@H]1NCCN(C(=O)[C@H]2C[C@H]2C)[C@@H]1C 306327125 491048562 /nfs/dbraw/zinc/04/85/62/491048562.db2.gz WVSQYRJOLBCALC-RGOKHQFPSA-N 0 3 196.294 0.851 20 0 ACADHN C[C@@H]1C[C@@H]1C(=O)N1CCN[C@H](C)[C@H]1C 306327124 491048583 /nfs/dbraw/zinc/04/85/83/491048583.db2.gz WVSQYRJOLBCALC-KYXWUPHJSA-N 0 3 196.294 0.851 20 0 ACADHN OCCCCCNCc1cc[nH]n1 228732223 491044910 /nfs/dbraw/zinc/04/49/10/491044910.db2.gz ZSKFDOHZEPSAMO-UHFFFAOYSA-N 0 3 183.255 0.662 20 0 ACADHN CCOCCN1CC[C@@H](O)[C@@H](C)C1 229572377 491045472 /nfs/dbraw/zinc/04/54/72/491045472.db2.gz QTRGLPHTSXNZJY-VHSXEESVSA-N 0 3 187.283 0.726 20 0 ACADHN CCOCCN1CC[C@H](O)[C@@H](C)C1 229572383 491045481 /nfs/dbraw/zinc/04/54/81/491045481.db2.gz QTRGLPHTSXNZJY-UWVGGRQHSA-N 0 3 187.283 0.726 20 0 ACADHN CCC(=O)N[C@@H]1CN(CC)C[C@H]1C 306172452 491046282 /nfs/dbraw/zinc/04/62/82/491046282.db2.gz BBVMKEHOVDSYSQ-RKDXNWHRSA-N 0 3 184.283 0.853 20 0 ACADHN C[C@@]1(O)CCCN(Cc2cn[nH]c2)C1 306198966 491046530 /nfs/dbraw/zinc/04/65/30/491046530.db2.gz YYUCXAMZNXMUHX-SNVBAGLBSA-N 0 3 195.266 0.757 20 0 ACADHN C[C@]1(O)CCCN(Cc2cn[nH]c2)C1 306198965 491046583 /nfs/dbraw/zinc/04/65/83/491046583.db2.gz YYUCXAMZNXMUHX-JTQLQIEISA-N 0 3 195.266 0.757 20 0 ACADHN CC[C@@H](O)CN1CCO[C@@H](C)[C@@H]1C 306205825 491046614 /nfs/dbraw/zinc/04/66/14/491046614.db2.gz PCPABQFOWBENJK-LPEHRKFASA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H](O)CN1CCO[C@H](C)[C@@H]1C 306205823 491046626 /nfs/dbraw/zinc/04/66/26/491046626.db2.gz PCPABQFOWBENJK-IVZWLZJFSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H](O)CN1CCO[C@H](C)[C@H]1C 306205826 491046690 /nfs/dbraw/zinc/04/66/90/491046690.db2.gz PCPABQFOWBENJK-OPRDCNLKSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H](O)CN1CCO[C@@H](C)[C@H]1C 306205824 491046696 /nfs/dbraw/zinc/04/66/96/491046696.db2.gz PCPABQFOWBENJK-KXUCPTDWSA-N 0 3 187.283 0.867 20 0 ACADHN O=C1NCCN1CCN1CC=CCC1 306232017 491046964 /nfs/dbraw/zinc/04/69/64/491046964.db2.gz KGAAKOFCTJOVGM-UHFFFAOYSA-N 0 3 195.266 0.274 20 0 ACADHN C[C@H](N[C@@H]1CSC[C@@H]1C)C(N)=O 306257112 491047339 /nfs/dbraw/zinc/04/73/39/491047339.db2.gz QAFSAILTLCWNKN-LYFYHCNISA-N 0 3 188.296 0.201 20 0 ACADHN C[C@H](N[C@H]1CSC[C@@H]1C)C(N)=O 306257110 491047404 /nfs/dbraw/zinc/04/74/04/491047404.db2.gz QAFSAILTLCWNKN-ACZMJKKPSA-N 0 3 188.296 0.201 20 0 ACADHN C[C@H](N[C@H]1CSC[C@H]1C)C(N)=O 306257113 491047408 /nfs/dbraw/zinc/04/74/08/491047408.db2.gz QAFSAILTLCWNKN-VQVTYTSYSA-N 0 3 188.296 0.201 20 0 ACADHN C[C@H](N[C@@H]1CSC[C@H]1C)C(N)=O 306257111 491047424 /nfs/dbraw/zinc/04/74/24/491047424.db2.gz QAFSAILTLCWNKN-DSYKOEDSSA-N 0 3 188.296 0.201 20 0 ACADHN CC[C@@H]1CC[C@@H](C)N(CC(N)=O)C1 306282173 491047912 /nfs/dbraw/zinc/04/79/12/491047912.db2.gz YUKZDZUUPMNTRT-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H]1[C@@H](C)NCCN1C(=O)[C@H]1C[C@H]1C 306327122 491048534 /nfs/dbraw/zinc/04/85/34/491048534.db2.gz WVSQYRJOLBCALC-IMSYWVGJSA-N 0 3 196.294 0.851 20 0 ACADHN Cc1cnn(C)c1CN[C@H]1CCOC1 306385402 491049809 /nfs/dbraw/zinc/04/98/09/491049809.db2.gz WZSZHGNDAPTDOB-VIFPVBQESA-N 0 3 195.266 0.607 20 0 ACADHN CCN1CCN(CCO)C(C)(C)C1 306387922 491049959 /nfs/dbraw/zinc/04/99/59/491049959.db2.gz UOHBSMNOGGCPLR-UHFFFAOYSA-N 0 3 186.299 0.395 20 0 ACADHN Cc1[nH]cnc1CC(=O)NC1CC1 306401143 491050060 /nfs/dbraw/zinc/05/00/60/491050060.db2.gz LUQHWLUGOAAEEJ-UHFFFAOYSA-N 0 3 179.223 0.539 20 0 ACADHN CN1CC[C@@H](NC2(C3CC3)CC2)C1=O 306452857 491051339 /nfs/dbraw/zinc/05/13/39/491051339.db2.gz XNLCJEQQMSOEOD-SECBINFHSA-N 0 3 194.278 0.749 20 0 ACADHN CN1CC[C@H](NC2(C3CC3)CC2)C1=O 306452858 491051468 /nfs/dbraw/zinc/05/14/68/491051468.db2.gz XNLCJEQQMSOEOD-VIFPVBQESA-N 0 3 194.278 0.749 20 0 ACADHN CN1CCC(NCc2cocn2)CC1 306457602 491051494 /nfs/dbraw/zinc/05/14/94/491051494.db2.gz VTWSXFZWWUADFM-UHFFFAOYSA-N 0 3 195.266 0.858 20 0 ACADHN OC[C@H]1CCN(Cc2cn[nH]c2)C1 306456939 491051511 /nfs/dbraw/zinc/05/15/11/491051511.db2.gz XJJHNEXHXVNQCF-QMMMGPOBSA-N 0 3 181.239 0.224 20 0 ACADHN CN1CCC(C(=O)NCCF)CC1 306625775 491054162 /nfs/dbraw/zinc/05/41/62/491054162.db2.gz HDEYNCLANUPXSU-UHFFFAOYSA-N 0 3 188.246 0.414 20 0 ACADHN COC[C@@H]1CCN1[C@H]1CCCOC1 306485535 491052116 /nfs/dbraw/zinc/05/21/16/491052116.db2.gz NROVSPNCBSFQMO-UWVGGRQHSA-N 0 3 185.267 0.886 20 0 ACADHN COC[C@H]1CCN1[C@@H]1CCCOC1 306485534 491052129 /nfs/dbraw/zinc/05/21/29/491052129.db2.gz NROVSPNCBSFQMO-NXEZZACHSA-N 0 3 185.267 0.886 20 0 ACADHN COC[C@H]1CCN1[C@H]1CCCOC1 306485536 491052137 /nfs/dbraw/zinc/05/21/37/491052137.db2.gz NROVSPNCBSFQMO-VHSXEESVSA-N 0 3 185.267 0.886 20 0 ACADHN COC[C@@H]1CCN1[C@@H]1CCCOC1 306485537 491052195 /nfs/dbraw/zinc/05/21/95/491052195.db2.gz NROVSPNCBSFQMO-ZJUUUORDSA-N 0 3 185.267 0.886 20 0 ACADHN Cc1c[nH]nc1CNC1CCOCC1 306505379 491052300 /nfs/dbraw/zinc/05/23/00/491052300.db2.gz FKSMVHGLZKSYPG-UHFFFAOYSA-N 0 3 195.266 0.987 20 0 ACADHN CCN1CC[C@@H](n2cncn2)C1 306648512 491054300 /nfs/dbraw/zinc/05/43/00/491054300.db2.gz COPUJNYVEUATGM-MRVPVSSYSA-N 0 3 166.228 0.545 20 0 ACADHN CCN1CC[C@H](n2cncn2)C1 306649202 491054335 /nfs/dbraw/zinc/05/43/35/491054335.db2.gz COPUJNYVEUATGM-QMMMGPOBSA-N 0 3 166.228 0.545 20 0 ACADHN OCCCN1CCc2cn[nH]c2C1 306578561 491053640 /nfs/dbraw/zinc/05/36/40/491053640.db2.gz WDBYDVZRGUHBKB-UHFFFAOYSA-N 0 3 181.239 0.150 20 0 ACADHN Cc1nnc(NC[C@H](C)N(C)C)o1 306701091 491054669 /nfs/dbraw/zinc/05/46/69/491054669.db2.gz GDAOBVBURLMMIM-LURJTMIESA-N 0 3 184.243 0.740 20 0 ACADHN Cc1nnc(NC[C@@H](C)N(C)C)o1 306701095 491054765 /nfs/dbraw/zinc/05/47/65/491054765.db2.gz GDAOBVBURLMMIM-ZCFIWIBFSA-N 0 3 184.243 0.740 20 0 ACADHN C[C@H]1CN(Cc2cnn(C)c2)C[C@@H]1O 306739200 491055042 /nfs/dbraw/zinc/05/50/42/491055042.db2.gz APKSTBZUNOJRDC-WPRPVWTQSA-N 0 3 195.266 0.233 20 0 ACADHN C[C@H]1CN(Cc2cnn(C)c2)C[C@H]1O 306739198 491055083 /nfs/dbraw/zinc/05/50/83/491055083.db2.gz APKSTBZUNOJRDC-WCBMZHEXSA-N 0 3 195.266 0.233 20 0 ACADHN C[C@@H]1CN(Cc2cnn(C)c2)C[C@H]1O 306739195 491055097 /nfs/dbraw/zinc/05/50/97/491055097.db2.gz APKSTBZUNOJRDC-PSASIEDQSA-N 0 3 195.266 0.233 20 0 ACADHN C[C@@H]1CN(Cc2cnn(C)c2)C[C@@H]1O 306739197 491055170 /nfs/dbraw/zinc/05/51/70/491055170.db2.gz APKSTBZUNOJRDC-SCZZXKLOSA-N 0 3 195.266 0.233 20 0 ACADHN CC1(C)CN(Cc2cn[nH]c2)C[C@@H]1O 306841749 491056229 /nfs/dbraw/zinc/05/62/29/491056229.db2.gz AWUNNQSYVPBNMC-VIFPVBQESA-N 0 3 195.266 0.612 20 0 ACADHN CC1(C)CN(Cc2cn[nH]c2)C[C@H]1O 306841748 491056232 /nfs/dbraw/zinc/05/62/32/491056232.db2.gz AWUNNQSYVPBNMC-SECBINFHSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@@H]1CN(Cc2ccncc2)C[C@@H]1O 306883273 491056373 /nfs/dbraw/zinc/05/63/73/491056373.db2.gz OVZWGPSHOJUYMG-KOLCDFICSA-N 0 3 192.262 0.894 20 0 ACADHN C[C@@H]1CN(Cc2ccncc2)C[C@H]1O 306883274 491056379 /nfs/dbraw/zinc/05/63/79/491056379.db2.gz OVZWGPSHOJUYMG-MWLCHTKSSA-N 0 3 192.262 0.894 20 0 ACADHN C[C@H]1CN(Cc2ccncc2)C[C@H]1O 306883272 491056396 /nfs/dbraw/zinc/05/63/96/491056396.db2.gz OVZWGPSHOJUYMG-GXSJLCMTSA-N 0 3 192.262 0.894 20 0 ACADHN C[C@H]1CN(Cc2ccncc2)C[C@@H]1O 306883275 491056443 /nfs/dbraw/zinc/05/64/43/491056443.db2.gz OVZWGPSHOJUYMG-ONGXEEELSA-N 0 3 192.262 0.894 20 0 ACADHN C[C@H](O)CN1C[C@@H](C)N(C)C[C@H]1C 306921227 491056498 /nfs/dbraw/zinc/05/64/98/491056498.db2.gz PMUVLNSDYFUYNB-BBBLOLIVSA-N 0 3 186.299 0.392 20 0 ACADHN C[C@H](O)CN1C[C@H](C)N(C)C[C@@H]1C 306921228 491056564 /nfs/dbraw/zinc/05/65/64/491056564.db2.gz PMUVLNSDYFUYNB-GUBZILKMSA-N 0 3 186.299 0.392 20 0 ACADHN C[C@H](O)CN1C[C@H](C)N(C)C[C@H]1C 306921226 491056568 /nfs/dbraw/zinc/05/65/68/491056568.db2.gz PMUVLNSDYFUYNB-AEJSXWLSSA-N 0 3 186.299 0.392 20 0 ACADHN C[C@H](O)CN1C[C@@H](C)N(C)C[C@@H]1C 306921229 491056571 /nfs/dbraw/zinc/05/65/71/491056571.db2.gz PMUVLNSDYFUYNB-UTLUCORTSA-N 0 3 186.299 0.392 20 0 ACADHN CC[C@@H]1CN(Cc2cn[nH]c2)C[C@@H]1O 306951508 491056935 /nfs/dbraw/zinc/05/69/35/491056935.db2.gz CMIVLSHHSFGBAP-ZJUUUORDSA-N 0 3 195.266 0.612 20 0 ACADHN CC[C@@H]1CN(Cc2cn[nH]c2)C[C@H]1O 306951499 491057004 /nfs/dbraw/zinc/05/70/04/491057004.db2.gz CMIVLSHHSFGBAP-NXEZZACHSA-N 0 3 195.266 0.612 20 0 ACADHN CC[C@H]1CN(Cc2cn[nH]c2)C[C@@H]1O 306951502 491057040 /nfs/dbraw/zinc/05/70/40/491057040.db2.gz CMIVLSHHSFGBAP-UWVGGRQHSA-N 0 3 195.266 0.612 20 0 ACADHN CC[C@H]1CN(Cc2cn[nH]c2)C[C@H]1O 306951506 491057054 /nfs/dbraw/zinc/05/70/54/491057054.db2.gz CMIVLSHHSFGBAP-VHSXEESVSA-N 0 3 195.266 0.612 20 0 ACADHN CN[C@@H](C)C(=O)N1C[C@@H](C)[C@H](C)C1 306973703 491057284 /nfs/dbraw/zinc/05/72/84/491057284.db2.gz LPMUDWLZURPXLM-HLTSFMKQSA-N 0 3 184.283 0.709 20 0 ACADHN C[C@@H]1C[C@@H]1CN(C)[C@H]1CCNC1=O 307019768 491057865 /nfs/dbraw/zinc/05/78/65/491057865.db2.gz SJLQPHAGWPBMTA-HLTSFMKQSA-N 0 3 182.267 0.463 20 0 ACADHN C[C@@H]1C[C@H]1CN(C)[C@@H]1CCNC1=O 307019769 491057893 /nfs/dbraw/zinc/05/78/93/491057893.db2.gz SJLQPHAGWPBMTA-HRDYMLBCSA-N 0 3 182.267 0.463 20 0 ACADHN C[C@@H]1C[C@@H]1CN(C)[C@@H]1CCNC1=O 307019770 491057935 /nfs/dbraw/zinc/05/79/35/491057935.db2.gz SJLQPHAGWPBMTA-IWSPIJDZSA-N 0 3 182.267 0.463 20 0 ACADHN C[C@@H]1C[C@H]1CN(C)[C@H]1CCNC1=O 307020041 491057949 /nfs/dbraw/zinc/05/79/49/491057949.db2.gz SJLQPHAGWPBMTA-VGMNWLOBSA-N 0 3 182.267 0.463 20 0 ACADHN CCCCN1CCc2nn[nH]c2C1 307060364 491058210 /nfs/dbraw/zinc/05/82/10/491058210.db2.gz NHALVVRDEHNHFA-UHFFFAOYSA-N 0 3 180.255 0.963 20 0 ACADHN CO[C@@H](C)[C@H](C)NCCF 307078518 491058285 /nfs/dbraw/zinc/05/82/85/491058285.db2.gz QLJZLNRJGFPOBJ-BQBZGAKWSA-N 0 3 149.209 0.969 20 0 ACADHN CO[C@H](C)[C@H](C)NCCF 307078522 491058305 /nfs/dbraw/zinc/05/83/05/491058305.db2.gz QLJZLNRJGFPOBJ-NKWVEPMBSA-N 0 3 149.209 0.969 20 0 ACADHN CO[C@H](C)[C@@H](C)NCCF 307078526 491058371 /nfs/dbraw/zinc/05/83/71/491058371.db2.gz QLJZLNRJGFPOBJ-RNFRBKRXSA-N 0 3 149.209 0.969 20 0 ACADHN CO[C@@H](C)[C@@H](C)NCCF 307078530 491058381 /nfs/dbraw/zinc/05/83/81/491058381.db2.gz QLJZLNRJGFPOBJ-RQJHMYQMSA-N 0 3 149.209 0.969 20 0 ACADHN C[C@@H](NC1CC1)c1ccc(=O)[nH]n1 307107107 491058572 /nfs/dbraw/zinc/05/85/72/491058572.db2.gz FLQYKDSLRPIIMA-ZCFIWIBFSA-N 0 3 179.223 0.583 20 0 ACADHN C[C@H](NC1CC1)c1ccc(=O)[nH]n1 307107106 491058580 /nfs/dbraw/zinc/05/85/80/491058580.db2.gz FLQYKDSLRPIIMA-LURJTMIESA-N 0 3 179.223 0.583 20 0 ACADHN OC1CCN(CCc2cn[nH]c2)CC1 307107089 491058690 /nfs/dbraw/zinc/05/86/90/491058690.db2.gz FJTBGJNJHUXVFS-UHFFFAOYSA-N 0 3 195.266 0.409 20 0 ACADHN COC[C@H](C)NC1CSC1 307192386 491059116 /nfs/dbraw/zinc/05/91/16/491059116.db2.gz LUQJADDYQDLTDR-LURJTMIESA-N 0 3 161.270 0.726 20 0 ACADHN Cc1nnc(N[C@@H](C)CN(C)C)o1 307188713 491059151 /nfs/dbraw/zinc/05/91/51/491059151.db2.gz BUTBDSDMRHLKMW-LURJTMIESA-N 0 3 184.243 0.740 20 0 ACADHN COC[C@@H](C)NC1CSC1 307192387 491059175 /nfs/dbraw/zinc/05/91/75/491059175.db2.gz LUQJADDYQDLTDR-ZCFIWIBFSA-N 0 3 161.270 0.726 20 0 ACADHN C[C@@H]1CN(Cc2ccccn2)C[C@@H]1O 307603555 491064689 /nfs/dbraw/zinc/06/46/89/491064689.db2.gz ZXKSPCACOICPAQ-KOLCDFICSA-N 0 3 192.262 0.894 20 0 ACADHN C[C@@H]1CN(Cc2ccccn2)C[C@H]1O 307603556 491064704 /nfs/dbraw/zinc/06/47/04/491064704.db2.gz ZXKSPCACOICPAQ-MWLCHTKSSA-N 0 3 192.262 0.894 20 0 ACADHN CN1CCC(Nc2ncnn2C)CC1 307409864 491061403 /nfs/dbraw/zinc/06/14/03/491061403.db2.gz OFFLLQCUOVUXHQ-UHFFFAOYSA-N 0 3 195.270 0.321 20 0 ACADHN OC[C@@H]1CCCN(Cc2cn[nH]c2)C1 307406771 491061425 /nfs/dbraw/zinc/06/14/25/491061425.db2.gz FLPWDYKBGPQMMC-SECBINFHSA-N 0 3 195.266 0.614 20 0 ACADHN OC[C@H]1CCCN(Cc2cn[nH]c2)C1 307406778 491061432 /nfs/dbraw/zinc/06/14/32/491061432.db2.gz FLPWDYKBGPQMMC-VIFPVBQESA-N 0 3 195.266 0.614 20 0 ACADHN C[C@H]1CN(Cc2ccccn2)C[C@@H]1O 307603557 491064782 /nfs/dbraw/zinc/06/47/82/491064782.db2.gz ZXKSPCACOICPAQ-ONGXEEELSA-N 0 3 192.262 0.894 20 0 ACADHN CN1CCC[C@H](N2CCCC2)C1=O 307441570 491061753 /nfs/dbraw/zinc/06/17/53/491061753.db2.gz AKWCNXFRALUZLO-VIFPVBQESA-N 0 3 182.267 0.703 20 0 ACADHN CN1CCC[C@@H](N2CCCC2)C1=O 307441568 491061797 /nfs/dbraw/zinc/06/17/97/491061797.db2.gz AKWCNXFRALUZLO-SECBINFHSA-N 0 3 182.267 0.703 20 0 ACADHN CN1CCCN(CC(F)F)CC1 307440491 491061871 /nfs/dbraw/zinc/06/18/71/491061871.db2.gz YQPXRXJNEABCCC-UHFFFAOYSA-N 0 3 178.226 0.889 20 0 ACADHN C[C@H]1CN(Cc2ccccn2)C[C@H]1O 307603554 491064866 /nfs/dbraw/zinc/06/48/66/491064866.db2.gz ZXKSPCACOICPAQ-GXSJLCMTSA-N 0 3 192.262 0.894 20 0 ACADHN CC[C@@H](NC)C(=O)Nc1cc(C)on1 307501230 491062932 /nfs/dbraw/zinc/06/29/32/491062932.db2.gz UWNIFILQZZAAFZ-SSDOTTSWSA-N 0 3 197.238 0.920 20 0 ACADHN CC[C@H](NC)C(=O)Nc1cc(C)on1 307501232 491062996 /nfs/dbraw/zinc/06/29/96/491062996.db2.gz UWNIFILQZZAAFZ-ZETCQYMHSA-N 0 3 197.238 0.920 20 0 ACADHN CCCCN1CCNC(=O)C[C@H]1C 307520917 491063425 /nfs/dbraw/zinc/06/34/25/491063425.db2.gz YNEMXUGUQSKPBN-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CCCCN1CCNC(=O)C[C@@H]1C 307520919 491063463 /nfs/dbraw/zinc/06/34/63/491063463.db2.gz YNEMXUGUQSKPBN-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CN(C1CC(O)C1)[C@H]1CCCOC1 307532888 491063552 /nfs/dbraw/zinc/06/35/52/491063552.db2.gz ZXPRBMAPVGZKRW-IDKOKCKLSA-N 0 3 185.267 0.621 20 0 ACADHN CN(C1CC(O)C1)[C@@H]1CCCOC1 307532889 491063628 /nfs/dbraw/zinc/06/36/28/491063628.db2.gz ZXPRBMAPVGZKRW-XNWIYYODSA-N 0 3 185.267 0.621 20 0 ACADHN CCCN(C)[C@@H]1CCCN(C)C1=O 307580130 491064392 /nfs/dbraw/zinc/06/43/92/491064392.db2.gz QXIHAGDBHJRFMT-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CCCN(C)[C@H]1CCCN(C)C1=O 307580131 491064405 /nfs/dbraw/zinc/06/44/05/491064405.db2.gz QXIHAGDBHJRFMT-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN C[C@@H]1CN(Cc2cccnc2)C[C@@H]1O 307584597 491064533 /nfs/dbraw/zinc/06/45/33/491064533.db2.gz IUPYAKXYSCOYKI-KOLCDFICSA-N 0 3 192.262 0.894 20 0 ACADHN C[C@@H]1CN(Cc2cccnc2)C[C@H]1O 307584598 491064554 /nfs/dbraw/zinc/06/45/54/491064554.db2.gz IUPYAKXYSCOYKI-MWLCHTKSSA-N 0 3 192.262 0.894 20 0 ACADHN C[C@H]1CN(Cc2cccnc2)C[C@@H]1O 307584599 491064575 /nfs/dbraw/zinc/06/45/75/491064575.db2.gz IUPYAKXYSCOYKI-ONGXEEELSA-N 0 3 192.262 0.894 20 0 ACADHN C[C@H]1CN(Cc2cccnc2)C[C@H]1O 307584596 491064607 /nfs/dbraw/zinc/06/46/07/491064607.db2.gz IUPYAKXYSCOYKI-GXSJLCMTSA-N 0 3 192.262 0.894 20 0 ACADHN CC[C@H](O)CN1CCO[C@@H](C)[C@H]1C 307621475 491065545 /nfs/dbraw/zinc/06/55/45/491065545.db2.gz PCPABQFOWBENJK-UTLUCORTSA-N 0 3 187.283 0.867 20 0 ACADHN CNC(=O)CN(C)CC(C)C 307614040 491065322 /nfs/dbraw/zinc/06/53/22/491065322.db2.gz MPLFINGWIOMBMJ-UHFFFAOYSA-N 0 3 158.245 0.320 20 0 ACADHN CC[C@H](O)CN1CCO[C@H](C)[C@@H]1C 307621472 491065428 /nfs/dbraw/zinc/06/54/28/491065428.db2.gz PCPABQFOWBENJK-AEJSXWLSSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@H](CF)NCC1(C)COC1 307624521 491065448 /nfs/dbraw/zinc/06/54/48/491065448.db2.gz FVRLMUIAJHNQJO-SSDOTTSWSA-N 0 3 161.220 0.971 20 0 ACADHN CC[C@H](O)CN1CCO[C@H](C)[C@H]1C 307621473 491065532 /nfs/dbraw/zinc/06/55/32/491065532.db2.gz PCPABQFOWBENJK-BBBLOLIVSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H](O)CN1CCO[C@@H](C)[C@@H]1C 307621474 491065553 /nfs/dbraw/zinc/06/55/53/491065553.db2.gz PCPABQFOWBENJK-GUBZILKMSA-N 0 3 187.283 0.867 20 0 ACADHN CCNC(=O)CN(C)C(C)C 307635471 491066077 /nfs/dbraw/zinc/06/60/77/491066077.db2.gz RQRAHKZYMUIWSM-UHFFFAOYSA-N 0 3 158.245 0.463 20 0 ACADHN CC[C@H](C)N(C)CC(=O)NC 307645628 491066273 /nfs/dbraw/zinc/06/62/73/491066273.db2.gz ZRPMNMJEEWMJPW-ZETCQYMHSA-N 0 3 158.245 0.463 20 0 ACADHN CC[C@@H](C)N(C)CC(=O)NC 307645627 491066373 /nfs/dbraw/zinc/06/63/73/491066373.db2.gz ZRPMNMJEEWMJPW-SSDOTTSWSA-N 0 3 158.245 0.463 20 0 ACADHN C[C@H](O)CN1CCN(C)[C@@H](C)[C@@H]1C 307679546 491067242 /nfs/dbraw/zinc/06/72/42/491067242.db2.gz MRVGXHQIJNVLBI-GUBZILKMSA-N 0 3 186.299 0.392 20 0 ACADHN C[C@H](O)CN1CCN(C)[C@@H](C)[C@H]1C 307679548 491067282 /nfs/dbraw/zinc/06/72/82/491067282.db2.gz MRVGXHQIJNVLBI-LPEHRKFASA-N 0 3 186.299 0.392 20 0 ACADHN C[C@H](O)CN1CCN(C)[C@H](C)[C@H]1C 307679547 491067307 /nfs/dbraw/zinc/06/73/07/491067307.db2.gz MRVGXHQIJNVLBI-IVZWLZJFSA-N 0 3 186.299 0.392 20 0 ACADHN C[C@H](O)CN1CCN(C)[C@H](C)[C@@H]1C 307679545 491067310 /nfs/dbraw/zinc/06/73/10/491067310.db2.gz MRVGXHQIJNVLBI-AEJSXWLSSA-N 0 3 186.299 0.392 20 0 ACADHN CC[C@H](C(N)=O)N1CCC=C(C)C1 307698664 491068268 /nfs/dbraw/zinc/06/82/68/491068268.db2.gz NEXIVORVGYAGOC-SECBINFHSA-N 0 3 182.267 0.902 20 0 ACADHN COCCN(C)C1CC(O)C1 307686295 491067784 /nfs/dbraw/zinc/06/77/84/491067784.db2.gz JVMZSJKLHVYZDZ-UHFFFAOYSA-N 0 3 159.229 0.088 20 0 ACADHN Cc1cn[nH]c1CNCCF 307692285 491067902 /nfs/dbraw/zinc/06/79/02/491067902.db2.gz RDSWAGZJCFZSIA-UHFFFAOYSA-N 0 3 157.192 0.777 20 0 ACADHN FCCNCC1=CCCOC1 307688634 491068019 /nfs/dbraw/zinc/06/80/19/491068019.db2.gz MAOUEPKNGNBTRQ-UHFFFAOYSA-N 0 3 159.204 0.892 20 0 ACADHN CC[C@@H](C(N)=O)N1CCC=C(C)C1 307698666 491068299 /nfs/dbraw/zinc/06/82/99/491068299.db2.gz NEXIVORVGYAGOC-VIFPVBQESA-N 0 3 182.267 0.902 20 0 ACADHN NC(=O)CNC1(C2CC2)CC1 307759302 491070550 /nfs/dbraw/zinc/07/05/50/491070550.db2.gz REMFMMLEOPSFAX-UHFFFAOYSA-N 0 3 154.213 0.004 20 0 ACADHN C[C@H](CO)CNCC1(F)CC1 307876337 491070716 /nfs/dbraw/zinc/07/07/16/491070716.db2.gz OCIZCAGHVHKGDG-ZETCQYMHSA-N 0 3 161.220 0.707 20 0 ACADHN C[C@@H](CO)CNCC1(F)CC1 307876336 491070802 /nfs/dbraw/zinc/07/08/02/491070802.db2.gz OCIZCAGHVHKGDG-SSDOTTSWSA-N 0 3 161.220 0.707 20 0 ACADHN CCCCNC1(C(N)=O)CC1 307881000 491071062 /nfs/dbraw/zinc/07/10/62/491071062.db2.gz QLZSEBNABZQQJM-UHFFFAOYSA-N 0 3 156.229 0.394 20 0 ACADHN C[C@@H](O)CNCc1cnc(N)s1 307933051 491071583 /nfs/dbraw/zinc/07/15/83/491071583.db2.gz JIGRQROQNWDNCE-RXMQYKEDSA-N 0 3 187.268 0.196 20 0 ACADHN Cc1c[nH]nc1CNC[C@@H](C)O 307932978 491071599 /nfs/dbraw/zinc/07/15/99/491071599.db2.gz IVXRHHULDUOZRG-SSDOTTSWSA-N 0 3 169.228 0.189 20 0 ACADHN Cc1c[nH]nc1CNC[C@H](C)O 307945834 491072056 /nfs/dbraw/zinc/07/20/56/491072056.db2.gz IVXRHHULDUOZRG-ZETCQYMHSA-N 0 3 169.228 0.189 20 0 ACADHN CCC(C)(C)N(C)CC(=O)NC 307945917 491072076 /nfs/dbraw/zinc/07/20/76/491072076.db2.gz IZRMJZYRFSCHBF-UHFFFAOYSA-N 0 3 172.272 0.853 20 0 ACADHN CCCCN(CC(N)=O)C(C)C 307949249 491072629 /nfs/dbraw/zinc/07/26/29/491072629.db2.gz BBLRRLADZNYWNS-UHFFFAOYSA-N 0 3 172.272 0.982 20 0 ACADHN CC[C@H](C)CNC1(C(N)=O)CC1 307949786 491072639 /nfs/dbraw/zinc/07/26/39/491072639.db2.gz MYHQBHZILBGAKY-ZETCQYMHSA-N 0 3 170.256 0.640 20 0 ACADHN CC[C@@H](C)CNC1(C(N)=O)CC1 307949785 491072676 /nfs/dbraw/zinc/07/26/76/491072676.db2.gz MYHQBHZILBGAKY-SSDOTTSWSA-N 0 3 170.256 0.640 20 0 ACADHN C[C@H](NC1(C2CC2)CC1)C(N)=O 307955353 491072773 /nfs/dbraw/zinc/07/27/73/491072773.db2.gz QXDMRYLODBHPKG-LURJTMIESA-N 0 3 168.240 0.392 20 0 ACADHN C[C@@H](NC1(C2CC2)CC1)C(N)=O 307955356 491072780 /nfs/dbraw/zinc/07/27/80/491072780.db2.gz QXDMRYLODBHPKG-ZCFIWIBFSA-N 0 3 168.240 0.392 20 0 ACADHN CC(C)=CCNC1(C(N)=O)CC1 307960813 491073164 /nfs/dbraw/zinc/07/31/64/491073164.db2.gz KSUOMONHDBGHCU-UHFFFAOYSA-N 0 3 168.240 0.560 20 0 ACADHN CCC(CC)N(CC)CC(N)=O 307972033 491073981 /nfs/dbraw/zinc/07/39/81/491073981.db2.gz HTVKMSVRADLATI-UHFFFAOYSA-N 0 3 172.272 0.982 20 0 ACADHN CCN(C)CCc1cnccn1 308012540 491076059 /nfs/dbraw/zinc/07/60/59/491076059.db2.gz NWJPCMITDNGSGL-UHFFFAOYSA-N 0 3 165.240 0.971 20 0 ACADHN CCN(CCCCF)CC(N)=O 307978627 491074338 /nfs/dbraw/zinc/07/43/38/491074338.db2.gz NGFCIBXMVWIBIQ-UHFFFAOYSA-N 0 3 176.235 0.543 20 0 ACADHN CCCCCNC1(C(N)=O)CC1 307980807 491074498 /nfs/dbraw/zinc/07/44/98/491074498.db2.gz OPNZQZBITGLQTQ-UHFFFAOYSA-N 0 3 170.256 0.784 20 0 ACADHN CN(C)CCNC(=O)C1(C)CC1 307984435 491074687 /nfs/dbraw/zinc/07/46/87/491074687.db2.gz QODPMEJXTSJSNR-UHFFFAOYSA-N 0 3 170.256 0.464 20 0 ACADHN CCCN(CC(=O)NC)C(C)C 307988586 491074701 /nfs/dbraw/zinc/07/47/01/491074701.db2.gz SEQIUFADOFOOHA-UHFFFAOYSA-N 0 3 172.272 0.853 20 0 ACADHN CCN(CC(N)=O)CC1(C)CC1 307992578 491074898 /nfs/dbraw/zinc/07/48/98/491074898.db2.gz UNQHYYAAYSHQMG-UHFFFAOYSA-N 0 3 170.256 0.594 20 0 ACADHN CC(=O)N(C)CCN(C)C1CC1 307990382 491075033 /nfs/dbraw/zinc/07/50/33/491075033.db2.gz STMPBOLFVSKMNX-UHFFFAOYSA-N 0 3 170.256 0.559 20 0 ACADHN CCN(CC(N)=O)C[C@H]1C[C@@H]1C 308018582 491076220 /nfs/dbraw/zinc/07/62/20/491076220.db2.gz SAEYLENSXSBGGE-JGVFFNPUSA-N 0 3 170.256 0.450 20 0 ACADHN CCN(CC(N)=O)C[C@@H]1C[C@@H]1C 308018585 491076231 /nfs/dbraw/zinc/07/62/31/491076231.db2.gz SAEYLENSXSBGGE-YUMQZZPRSA-N 0 3 170.256 0.450 20 0 ACADHN CN(CCN(C)C1CC1)C(N)=O 307997253 491075244 /nfs/dbraw/zinc/07/52/44/491075244.db2.gz WZVLPBJHKYWLGJ-UHFFFAOYSA-N 0 3 171.244 0.091 20 0 ACADHN CO[C@H](C)CN(C)C1CC(O)C1 308017863 491076246 /nfs/dbraw/zinc/07/62/46/491076246.db2.gz RJIQSDHGRIFLAI-AFPNSQJFSA-N 0 3 173.256 0.476 20 0 ACADHN CC[C@H](C(=O)NC(C)C)N(C)C 308000500 491075345 /nfs/dbraw/zinc/07/53/45/491075345.db2.gz ZGDSXYITIQWCMQ-MRVPVSSYSA-N 0 3 172.272 0.851 20 0 ACADHN CC[C@@H](C(=O)NC(C)C)N(C)C 308000501 491075392 /nfs/dbraw/zinc/07/53/92/491075392.db2.gz ZGDSXYITIQWCMQ-QMMMGPOBSA-N 0 3 172.272 0.851 20 0 ACADHN CCN(CC(N)=O)C[C@@H]1C[C@H]1C 308018583 491076259 /nfs/dbraw/zinc/07/62/59/491076259.db2.gz SAEYLENSXSBGGE-SFYZADRCSA-N 0 3 170.256 0.450 20 0 ACADHN CO[C@@H](C)CN(C)C1(CO)CC1 308003685 491075603 /nfs/dbraw/zinc/07/56/03/491075603.db2.gz DCRRDZWVFDPPGQ-QMMMGPOBSA-N 0 3 173.256 0.478 20 0 ACADHN CO[C@H](C)CN(C)C1(CO)CC1 308003683 491075670 /nfs/dbraw/zinc/07/56/70/491075670.db2.gz DCRRDZWVFDPPGQ-MRVPVSSYSA-N 0 3 173.256 0.478 20 0 ACADHN CO[C@@H](C)CN(C)C1CC(O)C1 308017864 491076310 /nfs/dbraw/zinc/07/63/10/491076310.db2.gz RJIQSDHGRIFLAI-UEJVZZJDSA-N 0 3 173.256 0.476 20 0 ACADHN CCN[C@@H](C)C(=O)N(C)C(C)C 308005315 491075906 /nfs/dbraw/zinc/07/59/06/491075906.db2.gz CWXDJFDCOYQITA-QMMMGPOBSA-N 0 3 172.272 0.851 20 0 ACADHN CCN[C@H](C)C(=O)N(C)C(C)C 308005314 491075922 /nfs/dbraw/zinc/07/59/22/491075922.db2.gz CWXDJFDCOYQITA-MRVPVSSYSA-N 0 3 172.272 0.851 20 0 ACADHN CCN(CC(N)=O)C[C@H]1C[C@H]1C 308018580 491076318 /nfs/dbraw/zinc/07/63/18/491076318.db2.gz SAEYLENSXSBGGE-HTQZYQBOSA-N 0 3 170.256 0.450 20 0 ACADHN NC(=O)C1(NCCCCF)CC1 308070115 491077353 /nfs/dbraw/zinc/07/73/53/491077353.db2.gz BCYQOUCFLCFYPB-UHFFFAOYSA-N 0 3 174.219 0.344 20 0 ACADHN C[C@H](CO)N(C)Cc1cnc[nH]1 308040753 491076792 /nfs/dbraw/zinc/07/67/92/491076792.db2.gz NHVSYFMGOKOAAL-SSDOTTSWSA-N 0 3 169.228 0.222 20 0 ACADHN CCN(CC)CC(=O)NCCF 308058783 491077108 /nfs/dbraw/zinc/07/71/08/491077108.db2.gz VMJCSSFLCKKEHF-UHFFFAOYSA-N 0 3 176.235 0.414 20 0 ACADHN CCCNC(=O)CN(C)CCC 308064313 491077460 /nfs/dbraw/zinc/07/74/60/491077460.db2.gz XVIIUUBHTUHPCG-UHFFFAOYSA-N 0 3 172.272 0.854 20 0 ACADHN CCOCC[C@H](O)CN1CCC1 308070596 491077520 /nfs/dbraw/zinc/07/75/20/491077520.db2.gz AVVHCHXKFJUHNI-VIFPVBQESA-N 0 3 173.256 0.480 20 0 ACADHN CCOCC[C@@H](O)CN1CCC1 308070595 491077646 /nfs/dbraw/zinc/07/76/46/491077646.db2.gz AVVHCHXKFJUHNI-SECBINFHSA-N 0 3 173.256 0.480 20 0 ACADHN NC(=O)C1(NCC2CCC2)CC1 308071212 491077656 /nfs/dbraw/zinc/07/76/56/491077656.db2.gz BQGYQTNTGUWSBS-UHFFFAOYSA-N 0 3 168.240 0.394 20 0 ACADHN CN(Cc1cn[nH]c1)CC(C)(C)O 308080291 491077910 /nfs/dbraw/zinc/07/79/10/491077910.db2.gz BRJAPJMVVVLFJU-UHFFFAOYSA-N 0 3 183.255 0.612 20 0 ACADHN C[C@H](CO)N(C)CCOCC1CC1 308095022 491078052 /nfs/dbraw/zinc/07/80/52/491078052.db2.gz LJGPXXCLIRPENV-SECBINFHSA-N 0 3 187.283 0.726 20 0 ACADHN OC[C@@H]1CSCCN1CCCF 308096818 491078101 /nfs/dbraw/zinc/07/81/01/491078101.db2.gz ZGSPLBQJAGEGDF-MRVPVSSYSA-N 0 3 193.287 0.756 20 0 ACADHN OC[C@H]1CSCCN1CCCF 308096819 491078107 /nfs/dbraw/zinc/07/81/07/491078107.db2.gz ZGSPLBQJAGEGDF-QMMMGPOBSA-N 0 3 193.287 0.756 20 0 ACADHN NC(=O)C1(NCCC2CC2)CC1 308093972 491078162 /nfs/dbraw/zinc/07/81/62/491078162.db2.gz WLMOQCUQTDEPHE-UHFFFAOYSA-N 0 3 168.240 0.394 20 0 ACADHN C[C@H]1OCCN(CCCCO)[C@@H]1C 308108439 491078391 /nfs/dbraw/zinc/07/83/91/491078391.db2.gz LGGFFZWAXXYNME-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@H]1[C@@H](C)OCCN1CCCCO 308108443 491078402 /nfs/dbraw/zinc/07/84/02/491078402.db2.gz LGGFFZWAXXYNME-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@@H]1OCCN(CCCCO)[C@H]1C 308108441 491078406 /nfs/dbraw/zinc/07/84/06/491078406.db2.gz LGGFFZWAXXYNME-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@@H]1OCCN(CCCCO)[C@@H]1C 308108444 491078443 /nfs/dbraw/zinc/07/84/43/491078443.db2.gz LGGFFZWAXXYNME-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN CN(CCCCO)Cc1cn[nH]c1 308108626 491078458 /nfs/dbraw/zinc/07/84/58/491078458.db2.gz LSAPMYLFMIHCQB-UHFFFAOYSA-N 0 3 183.255 0.614 20 0 ACADHN O[C@H]1CN(CCCCCF)C[C@H]1O 308135281 491079512 /nfs/dbraw/zinc/07/95/12/491079512.db2.gz HTXVUVMWRWGALS-DTORHVGOSA-N 0 3 191.246 0.164 20 0 ACADHN CC(C)CN(CC(N)=O)CC1CC1 308137734 491079812 /nfs/dbraw/zinc/07/98/12/491079812.db2.gz GLQJTFWUQJOFIY-UHFFFAOYSA-N 0 3 184.283 0.840 20 0 ACADHN CC(C)N(C)CC(=O)NCC(F)F 308140614 491079971 /nfs/dbraw/zinc/07/99/71/491079971.db2.gz IHUMOBISHAEFRB-UHFFFAOYSA-N 0 3 194.225 0.708 20 0 ACADHN CC(C)CN(C)CC(=O)NC1CC1 308141794 491080245 /nfs/dbraw/zinc/08/02/45/491080245.db2.gz JCMXNMYCKSXKFD-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN CC(C)COC[C@H](O)CN1CCC1 308144992 491080515 /nfs/dbraw/zinc/08/05/15/491080515.db2.gz LGWIUAYUTYYSMW-SNVBAGLBSA-N 0 3 187.283 0.726 20 0 ACADHN CC(C)COC[C@@H](O)CN1CCC1 308144991 491080530 /nfs/dbraw/zinc/08/05/30/491080530.db2.gz LGWIUAYUTYYSMW-JTQLQIEISA-N 0 3 187.283 0.726 20 0 ACADHN CC(C)[C@H](C(=O)NCCF)N(C)C 308143342 491080627 /nfs/dbraw/zinc/08/06/27/491080627.db2.gz KBHNBZYQTRFYNM-MRVPVSSYSA-N 0 3 190.262 0.658 20 0 ACADHN CC[C@@H](C(=O)NCC1CC1)N(C)C 308145787 491080709 /nfs/dbraw/zinc/08/07/09/491080709.db2.gz ABCRMKNMTXVRQW-VIFPVBQESA-N 0 3 184.283 0.853 20 0 ACADHN CC(C)[C@@H](CO)NCc1cn[nH]c1 308145959 491080715 /nfs/dbraw/zinc/08/07/15/491080715.db2.gz LRHQCWJTNVBOKE-SECBINFHSA-N 0 3 183.255 0.516 20 0 ACADHN CC[C@H](C(=O)NCC1CC1)N(C)C 308145786 491080734 /nfs/dbraw/zinc/08/07/34/491080734.db2.gz ABCRMKNMTXVRQW-SECBINFHSA-N 0 3 184.283 0.853 20 0 ACADHN CC(C)N(C)CC(=O)N[C@H](C)CF 308162713 491081931 /nfs/dbraw/zinc/08/19/31/491081931.db2.gz WAZKLKBGSGOXAP-MRVPVSSYSA-N 0 3 190.262 0.801 20 0 ACADHN CCOCCN(C)C1(CO)CC1 308150199 491081055 /nfs/dbraw/zinc/08/10/55/491081055.db2.gz MHFYPPUWPHHZCU-UHFFFAOYSA-N 0 3 173.256 0.480 20 0 ACADHN CC(C)(C)N(CC(N)=O)CC1CC1 308164411 491081956 /nfs/dbraw/zinc/08/19/56/491081956.db2.gz WUSNACDNEBFCJZ-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN CN(C)CCSc1ncnn1C 308154461 491081402 /nfs/dbraw/zinc/08/14/02/491081402.db2.gz OCRCDYBPNPYJDY-UHFFFAOYSA-N 0 3 186.284 0.469 20 0 ACADHN C[C@H](CO)N[C@H](C)c1cn[nH]c1 308156844 491081507 /nfs/dbraw/zinc/08/15/07/491081507.db2.gz PGWISIOZJLXYIA-RNFRBKRXSA-N 0 3 169.228 0.441 20 0 ACADHN C[C@H](N[C@H](C)CO)c1cn[nH]c1 308156845 491081633 /nfs/dbraw/zinc/08/16/33/491081633.db2.gz PGWISIOZJLXYIA-RQJHMYQMSA-N 0 3 169.228 0.441 20 0 ACADHN CC(C)[C@@H](CO)NCc1ccno1 308164429 491082022 /nfs/dbraw/zinc/08/20/22/491082022.db2.gz WWKTWJLJPYDGCA-SECBINFHSA-N 0 3 184.239 0.781 20 0 ACADHN CCN(CC)CC(=O)NCCCF 308169828 491082381 /nfs/dbraw/zinc/08/23/81/491082381.db2.gz AYGSYZMJPGAQEG-UHFFFAOYSA-N 0 3 190.262 0.804 20 0 ACADHN CCNC(=O)CN(C)C1CCCC1 308168697 491082392 /nfs/dbraw/zinc/08/23/92/491082392.db2.gz ANYHILDYCGSYHM-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CCN(CCCCOC)CC(N)=O 308172929 491082549 /nfs/dbraw/zinc/08/25/49/491082549.db2.gz CBKKMKKIGHKMGH-UHFFFAOYSA-N 0 3 188.271 0.220 20 0 ACADHN CCN(CCO)CCOC1CCC1 308171690 491082605 /nfs/dbraw/zinc/08/26/05/491082605.db2.gz BRKNYBNAGDIBKN-UHFFFAOYSA-N 0 3 187.283 0.870 20 0 ACADHN CN(CCCO)Cc1cnc[nH]1 308173748 491082649 /nfs/dbraw/zinc/08/26/49/491082649.db2.gz XZYQJNGGPKKKHS-UHFFFAOYSA-N 0 3 169.228 0.224 20 0 ACADHN CN(CCO)CCN(C)C1CC1 308174585 491082656 /nfs/dbraw/zinc/08/26/56/491082656.db2.gz YPWLQCFWQBGNQE-UHFFFAOYSA-N 0 3 172.272 0.005 20 0 ACADHN CCN(CCCO)Cc1cn[nH]c1 308180355 491082830 /nfs/dbraw/zinc/08/28/30/491082830.db2.gz BZIRZIQLQMQVCZ-UHFFFAOYSA-N 0 3 183.255 0.614 20 0 ACADHN CN(C[C@@H](O)CN1CCC1)C1CC1 308181777 491082923 /nfs/dbraw/zinc/08/29/23/491082923.db2.gz DEFVEYHWTRILPU-SNVBAGLBSA-N 0 3 184.283 0.147 20 0 ACADHN CN(C[C@H](O)CN1CCC1)C1CC1 308181776 491082941 /nfs/dbraw/zinc/08/29/41/491082941.db2.gz DEFVEYHWTRILPU-JTQLQIEISA-N 0 3 184.283 0.147 20 0 ACADHN OC[C@H](NCCF)C1CCOCC1 308186411 491083106 /nfs/dbraw/zinc/08/31/06/491083106.db2.gz JIGXWIODYLIZRK-VIFPVBQESA-N 0 3 191.246 0.333 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)[C@H]1C[C@@H]1C 308185430 491083131 /nfs/dbraw/zinc/08/31/31/491083131.db2.gz IXEOHWMGCPGNGJ-CIUDSAMLSA-N 0 3 184.283 0.709 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@H]1C 308185432 491083136 /nfs/dbraw/zinc/08/31/36/491083136.db2.gz IXEOHWMGCPGNGJ-HRDYMLBCSA-N 0 3 184.283 0.709 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)[C@H]1C[C@H]1C 308185434 491083180 /nfs/dbraw/zinc/08/31/80/491083180.db2.gz IXEOHWMGCPGNGJ-VGMNWLOBSA-N 0 3 184.283 0.709 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1C[C@@H]1C 308185437 491083203 /nfs/dbraw/zinc/08/32/03/491083203.db2.gz IXEOHWMGCPGNGJ-XHNCKOQMSA-N 0 3 184.283 0.709 20 0 ACADHN OC[C@@H](NCCF)C1CCOCC1 308186410 491083231 /nfs/dbraw/zinc/08/32/31/491083231.db2.gz JIGXWIODYLIZRK-SECBINFHSA-N 0 3 191.246 0.333 20 0 ACADHN CCN(CC)CC(=O)N1CC(F)C1 308248026 491087849 /nfs/dbraw/zinc/08/78/49/491087849.db2.gz YRJMWXSAVQOVMR-UHFFFAOYSA-N 0 3 188.246 0.509 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)CC1CC1 308195130 491083622 /nfs/dbraw/zinc/08/36/22/491083622.db2.gz RRHYLUNYYYEXAZ-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN CCCCCN(C)[C@@H]1CCNC1=O 308248462 491087866 /nfs/dbraw/zinc/08/78/66/491087866.db2.gz ZKPFYDIOJUTNCK-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN C[C@@H](CCO)N[C@@H](C)c1cn[nH]c1 308207110 491084116 /nfs/dbraw/zinc/08/41/16/491084116.db2.gz ZTMKORPDXHIAHF-YUMQZZPRSA-N 0 3 183.255 0.831 20 0 ACADHN C[C@H](CCO)N[C@H](C)c1cn[nH]c1 308207106 491084157 /nfs/dbraw/zinc/08/41/57/491084157.db2.gz ZTMKORPDXHIAHF-HTQZYQBOSA-N 0 3 183.255 0.831 20 0 ACADHN CCN(CCCF)[C@@H]1CCNC1=O 308248682 491087902 /nfs/dbraw/zinc/08/79/02/491087902.db2.gz ZWAGRDUSTKQUOG-MRVPVSSYSA-N 0 3 188.246 0.556 20 0 ACADHN C[C@@H](CCO)N[C@H](C)c1cn[nH]c1 308207107 491084235 /nfs/dbraw/zinc/08/42/35/491084235.db2.gz ZTMKORPDXHIAHF-JGVFFNPUSA-N 0 3 183.255 0.831 20 0 ACADHN C[C@H](N[C@H](C)CCO)c1cn[nH]c1 308207109 491084258 /nfs/dbraw/zinc/08/42/58/491084258.db2.gz ZTMKORPDXHIAHF-SFYZADRCSA-N 0 3 183.255 0.831 20 0 ACADHN CCOC[C@H](O)CN1CC(C)(C)C1 308213307 491084560 /nfs/dbraw/zinc/08/45/60/491084560.db2.gz XRVWYKAYLJIDDD-SECBINFHSA-N 0 3 187.283 0.726 20 0 ACADHN CCCNC(=O)Cc1nc[nH]c1C 308212182 491084599 /nfs/dbraw/zinc/08/45/99/491084599.db2.gz GZHLSSCZSNZQLL-UHFFFAOYSA-N 0 3 181.239 0.787 20 0 ACADHN CCOC[C@@H](O)CN1CC(C)(C)C1 308213308 491084653 /nfs/dbraw/zinc/08/46/53/491084653.db2.gz XRVWYKAYLJIDDD-VIFPVBQESA-N 0 3 187.283 0.726 20 0 ACADHN CCC[C@]1(NCC(N)=O)CCOC1 308214425 491084897 /nfs/dbraw/zinc/08/48/97/491084897.db2.gz IETWCYLNXZFFRJ-VIFPVBQESA-N 0 3 186.255 0.021 20 0 ACADHN CCC[C@@]1(NCC(N)=O)CCOC1 308214424 491084950 /nfs/dbraw/zinc/08/49/50/491084950.db2.gz IETWCYLNXZFFRJ-SECBINFHSA-N 0 3 186.255 0.021 20 0 ACADHN CCCN1CC[C@H](NC(=O)CC)C1 308216941 491085115 /nfs/dbraw/zinc/08/51/15/491085115.db2.gz JTJKANQNHHHBKA-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN COCCOCCN(C)CCCF 308216715 491085140 /nfs/dbraw/zinc/08/51/40/491085140.db2.gz AJEKLXUPKKSSAJ-UHFFFAOYSA-N 0 3 193.262 0.941 20 0 ACADHN CCCN1CC[C@@H](NC(=O)CC)C1 308216938 491085204 /nfs/dbraw/zinc/08/52/04/491085204.db2.gz JTJKANQNHHHBKA-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CCN(CCO)Cc1[nH]ncc1C 308220297 491085380 /nfs/dbraw/zinc/08/53/80/491085380.db2.gz KWUUNKWLPCXYLX-UHFFFAOYSA-N 0 3 183.255 0.532 20 0 ACADHN CCCCN(CCCF)CC(N)=O 308219086 491085396 /nfs/dbraw/zinc/08/53/96/491085396.db2.gz KLFJRTVNYSXIFK-UHFFFAOYSA-N 0 3 190.262 0.933 20 0 ACADHN Cc1c[nH]nc1CN[C@@H](C)CCO 308225695 491085994 /nfs/dbraw/zinc/08/59/94/491085994.db2.gz DSIUIEZSYGKECI-QMMMGPOBSA-N 0 3 183.255 0.579 20 0 ACADHN Cc1c[nH]nc1CN[C@H](C)CCO 308225691 491086059 /nfs/dbraw/zinc/08/60/59/491086059.db2.gz DSIUIEZSYGKECI-MRVPVSSYSA-N 0 3 183.255 0.579 20 0 ACADHN CC[C@H](C(N)=O)N(C)C[C@@H](C)OC 308231944 491086400 /nfs/dbraw/zinc/08/64/00/491086400.db2.gz TZRNVECJRGJNPD-HTQZYQBOSA-N 0 3 188.271 0.217 20 0 ACADHN CCCN(CCO)Cc1cn[nH]c1 308231918 491086411 /nfs/dbraw/zinc/08/64/11/491086411.db2.gz TXBRZLHYFGUSEX-UHFFFAOYSA-N 0 3 183.255 0.614 20 0 ACADHN CC[C@@H](C(N)=O)N(C)C[C@H](C)OC 308231947 491086445 /nfs/dbraw/zinc/08/64/45/491086445.db2.gz TZRNVECJRGJNPD-YUMQZZPRSA-N 0 3 188.271 0.217 20 0 ACADHN CC[C@@H](C(N)=O)N(C)C[C@@H](C)OC 308231946 491086508 /nfs/dbraw/zinc/08/65/08/491086508.db2.gz TZRNVECJRGJNPD-SFYZADRCSA-N 0 3 188.271 0.217 20 0 ACADHN CC[C@H](C(N)=O)N(C)C[C@H](C)OC 308231945 491086551 /nfs/dbraw/zinc/08/65/51/491086551.db2.gz TZRNVECJRGJNPD-JGVFFNPUSA-N 0 3 188.271 0.217 20 0 ACADHN CC[C@@]1(C)CN(CCCO)CCO1 308233055 491086691 /nfs/dbraw/zinc/08/66/91/491086691.db2.gz PSUOUKJBAWDAQQ-JTQLQIEISA-N 0 3 187.283 0.870 20 0 ACADHN CC[C@]1(C)CN(CCCO)CCO1 308233056 491086702 /nfs/dbraw/zinc/08/67/02/491086702.db2.gz PSUOUKJBAWDAQQ-SNVBAGLBSA-N 0 3 187.283 0.870 20 0 ACADHN CC[C@H](COC)NC1(C(N)=O)CC1 308235838 491086724 /nfs/dbraw/zinc/08/67/24/491086724.db2.gz QSZGJKXYSGAUJL-SSDOTTSWSA-N 0 3 186.255 0.019 20 0 ACADHN CC[C@@H](COC)NC1(C(N)=O)CC1 308235840 491086826 /nfs/dbraw/zinc/08/68/26/491086826.db2.gz QSZGJKXYSGAUJL-ZETCQYMHSA-N 0 3 186.255 0.019 20 0 ACADHN CCN(CCO)Cc1cccn1C 308245191 491087181 /nfs/dbraw/zinc/08/71/81/491087181.db2.gz VARAJLUDBUMTAZ-UHFFFAOYSA-N 0 3 182.267 0.839 20 0 ACADHN CCNC(=O)CCN1CC=CCC1 308245473 491087285 /nfs/dbraw/zinc/08/72/85/491087285.db2.gz VGVYENKCQGYYPA-UHFFFAOYSA-N 0 3 182.267 0.775 20 0 ACADHN CCCCCN(C)[C@H]1CCNC1=O 308248463 491087699 /nfs/dbraw/zinc/08/76/99/491087699.db2.gz ZKPFYDIOJUTNCK-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CCN(CCCF)[C@H]1CCNC1=O 308248683 491088129 /nfs/dbraw/zinc/08/81/29/491088129.db2.gz ZWAGRDUSTKQUOG-QMMMGPOBSA-N 0 3 188.246 0.556 20 0 ACADHN CNC(=O)CN(C)CCCCCF 308251582 491088669 /nfs/dbraw/zinc/08/86/69/491088669.db2.gz FTVQDNXIRJYUQB-UHFFFAOYSA-N 0 3 190.262 0.804 20 0 ACADHN CNC(=O)[C@@H]1CCCN1CCCF 308255649 491089219 /nfs/dbraw/zinc/08/92/19/491089219.db2.gz IZRGFRKJMLBDER-QMMMGPOBSA-N 0 3 188.246 0.556 20 0 ACADHN CNC(=O)[C@H]1CCCN1CCCF 308255648 491089230 /nfs/dbraw/zinc/08/92/30/491089230.db2.gz IZRGFRKJMLBDER-MRVPVSSYSA-N 0 3 188.246 0.556 20 0 ACADHN CNC(=O)N(CCN(C)C)C(C)C 308257774 491089422 /nfs/dbraw/zinc/08/94/22/491089422.db2.gz KTNNTRRHXWOBEW-UHFFFAOYSA-N 0 3 187.287 0.598 20 0 ACADHN CC(C)OCCN(C)C1CC(O)C1 308258030 491089465 /nfs/dbraw/zinc/08/94/65/491089465.db2.gz MAPWKDTWBAVNMV-UHFFFAOYSA-N 0 3 187.283 0.867 20 0 ACADHN CN(C)CCNC(=O)[C@H]1CC1(C)C 308264256 491090131 /nfs/dbraw/zinc/09/01/31/491090131.db2.gz OHTMIKAUZVHJSP-MRVPVSSYSA-N 0 3 184.283 0.710 20 0 ACADHN CN(Cc1cnc[nH]1)CC(C)(C)O 308271393 491090579 /nfs/dbraw/zinc/09/05/79/491090579.db2.gz SFWXPGKLLZHXGM-UHFFFAOYSA-N 0 3 183.255 0.612 20 0 ACADHN COCCCCN(C)[C@@H](C)C(N)=O 308270287 491090693 /nfs/dbraw/zinc/09/06/93/491090693.db2.gz RPZCKCAQQPGZAG-QMMMGPOBSA-N 0 3 188.271 0.219 20 0 ACADHN COCCCCN(C)[C@H](C)C(N)=O 308270286 491090699 /nfs/dbraw/zinc/09/06/99/491090699.db2.gz RPZCKCAQQPGZAG-MRVPVSSYSA-N 0 3 188.271 0.219 20 0 ACADHN CC(C)N(CCCCF)CC(N)=O 308274429 491091195 /nfs/dbraw/zinc/09/11/95/491091195.db2.gz UNSWUNJYAJEWGD-UHFFFAOYSA-N 0 3 190.262 0.932 20 0 ACADHN CN(C)CCNC(=O)C1=CCCC1 308274314 491091282 /nfs/dbraw/zinc/09/12/82/491091282.db2.gz UQIPUWSWFJYIAO-UHFFFAOYSA-N 0 3 182.267 0.775 20 0 ACADHN C[C@H](Cn1cccn1)NC1CSC1 308276276 491091487 /nfs/dbraw/zinc/09/14/87/491091487.db2.gz VEMQLJKFMZCLCK-MRVPVSSYSA-N 0 3 197.307 0.977 20 0 ACADHN C[C@@H](Cn1cccn1)NC1CSC1 308276277 491091637 /nfs/dbraw/zinc/09/16/37/491091637.db2.gz VEMQLJKFMZCLCK-QMMMGPOBSA-N 0 3 197.307 0.977 20 0 ACADHN CCC(=O)NC1(CN(C)C)CCC1 308296822 491094155 /nfs/dbraw/zinc/09/41/55/491094155.db2.gz KIKVWELZBMAOQM-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CCC(=O)N(CCN(C)C)C1CC1 308302556 491094501 /nfs/dbraw/zinc/09/45/01/491094501.db2.gz MRECUDVXEJVIND-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN C[C@H]1C[C@@H]1C(=O)N(C)CCN(C)C 308310008 491095366 /nfs/dbraw/zinc/09/53/66/491095366.db2.gz QRLIJMDCJBFPGB-IUCAKERBSA-N 0 3 184.283 0.662 20 0 ACADHN C[C@@H]1C[C@H]1C(=O)N(C)CCN(C)C 308310010 491095383 /nfs/dbraw/zinc/09/53/83/491095383.db2.gz QRLIJMDCJBFPGB-RKDXNWHRSA-N 0 3 184.283 0.662 20 0 ACADHN C[C@H]1C[C@H]1C(=O)N(C)CCN(C)C 308310007 491095415 /nfs/dbraw/zinc/09/54/15/491095415.db2.gz QRLIJMDCJBFPGB-DTWKUNHWSA-N 0 3 184.283 0.662 20 0 ACADHN C[C@@H]1C[C@@H]1C(=O)N(C)CCN(C)C 308310006 491095431 /nfs/dbraw/zinc/09/54/31/491095431.db2.gz QRLIJMDCJBFPGB-BDAKNGLRSA-N 0 3 184.283 0.662 20 0 ACADHN CCOCCCCNC(=O)CNC 308311740 491095647 /nfs/dbraw/zinc/09/56/47/491095647.db2.gz SDSYBCWGSIXQSU-UHFFFAOYSA-N 0 3 188.271 0.139 20 0 ACADHN CCOC[C@H](O)CN1CC=CCC1 308314509 491095714 /nfs/dbraw/zinc/09/57/14/491095714.db2.gz VPBQMWBXUZSEEV-SNVBAGLBSA-N 0 3 185.267 0.646 20 0 ACADHN CCOC[C@@H](O)CN1CC=CCC1 308314508 491095941 /nfs/dbraw/zinc/09/59/41/491095941.db2.gz VPBQMWBXUZSEEV-JTQLQIEISA-N 0 3 185.267 0.646 20 0 ACADHN CCOCCCN(CC)CC(N)=O 308317114 491096055 /nfs/dbraw/zinc/09/60/55/491096055.db2.gz XTKRXDPGLDUFTL-UHFFFAOYSA-N 0 3 188.271 0.220 20 0 ACADHN CN(CC(N)=O)C[C@H]1CC=CCC1 308319213 491096393 /nfs/dbraw/zinc/09/63/93/491096393.db2.gz ZJFXSSWXZUBILK-VIFPVBQESA-N 0 3 182.267 0.760 20 0 ACADHN CN(CC(N)=O)C[C@@H]1CC=CCC1 308319211 491096418 /nfs/dbraw/zinc/09/64/18/491096418.db2.gz ZJFXSSWXZUBILK-SECBINFHSA-N 0 3 182.267 0.760 20 0 ACADHN CC/C=C/CCN1C[C@H](O)[C@H](O)C1 308323266 491096646 /nfs/dbraw/zinc/09/66/46/491096646.db2.gz CWQUQEGGCGGRGE-LDYOUVJNSA-N 0 3 185.267 0.380 20 0 ACADHN CC/C=C\CCN1C[C@H](O)[C@H](O)C1 308323259 491096672 /nfs/dbraw/zinc/09/66/72/491096672.db2.gz CWQUQEGGCGGRGE-BZDJSAGESA-N 0 3 185.267 0.380 20 0 ACADHN CO[C@H](C)CN(C)Cc1cnc[nH]1 308325855 491097090 /nfs/dbraw/zinc/09/70/90/491097090.db2.gz FHGBAWHHINASFU-MRVPVSSYSA-N 0 3 183.255 0.876 20 0 ACADHN CO[C@@H](C)CN(C)Cc1cnc[nH]1 308325856 491097226 /nfs/dbraw/zinc/09/72/26/491097226.db2.gz FHGBAWHHINASFU-QMMMGPOBSA-N 0 3 183.255 0.876 20 0 ACADHN CC[C@H](C(=O)NC1CCC1)N(C)C 308328234 491097360 /nfs/dbraw/zinc/09/73/60/491097360.db2.gz HAWGZOOEMHZAAG-SECBINFHSA-N 0 3 184.283 0.995 20 0 ACADHN CC[C@@H](C(=O)NC1CCC1)N(C)C 308328235 491097388 /nfs/dbraw/zinc/09/73/88/491097388.db2.gz HAWGZOOEMHZAAG-VIFPVBQESA-N 0 3 184.283 0.995 20 0 ACADHN C[C@H]1CC[C@H](CN(C)[C@H](C)CO)O1 308365468 491099184 /nfs/dbraw/zinc/09/91/84/491099184.db2.gz HIHSEJZYRCNZEJ-KXUCPTDWSA-N 0 3 187.283 0.867 20 0 ACADHN Cc1cnn(C)c1CN[C@@H](C)CO 308346792 491098309 /nfs/dbraw/zinc/09/83/09/491098309.db2.gz VXSLDSOHACXHOH-QMMMGPOBSA-N 0 3 183.255 0.199 20 0 ACADHN Cc1cnn(C)c1CN[C@H](C)CO 308346791 491098312 /nfs/dbraw/zinc/09/83/12/491098312.db2.gz VXSLDSOHACXHOH-MRVPVSSYSA-N 0 3 183.255 0.199 20 0 ACADHN C[C@H](CO)N(C)CCOC1CCC1 308390208 491100585 /nfs/dbraw/zinc/10/05/85/491100585.db2.gz XRZKFKSKJZCXTB-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN CCCN(C)CC(=O)N[C@H](C)CF 308360147 491098616 /nfs/dbraw/zinc/09/86/16/491098616.db2.gz LXIZIFBYRAJSGV-MRVPVSSYSA-N 0 3 190.262 0.802 20 0 ACADHN CCCN(CCCF)CC(=O)NC 308355853 491098625 /nfs/dbraw/zinc/09/86/25/491098625.db2.gz KREUQBDOIAKSTM-UHFFFAOYSA-N 0 3 190.262 0.804 20 0 ACADHN Cc1cn[nH]c1CN(C)[C@H](C)CO 308357607 491098716 /nfs/dbraw/zinc/09/87/16/491098716.db2.gz BUVLJMQBBMVOBJ-MRVPVSSYSA-N 0 3 183.255 0.531 20 0 ACADHN Cc1cnn(C)c1CNC[C@@H](C)O 308361613 491098907 /nfs/dbraw/zinc/09/89/07/491098907.db2.gz DXFYOPZQGXDNRG-MRVPVSSYSA-N 0 3 183.255 0.199 20 0 ACADHN Cc1cnn(C)c1CNCCCO 308361677 491098932 /nfs/dbraw/zinc/09/89/32/491098932.db2.gz FAOITMWMAPKZDP-UHFFFAOYSA-N 0 3 183.255 0.201 20 0 ACADHN C[C@H](O)CN(C)CCOCC(F)F 308363671 491098955 /nfs/dbraw/zinc/09/89/55/491098955.db2.gz FWLHBMNLXRNTSR-ZETCQYMHSA-N 0 3 197.225 0.581 20 0 ACADHN C[C@H]1CC[C@@H](CN(C)[C@H](C)CO)O1 308365475 491099030 /nfs/dbraw/zinc/09/90/30/491099030.db2.gz HIHSEJZYRCNZEJ-UTLUCORTSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@H](CO)N(C)CC1=CCCOC1 308368023 491099152 /nfs/dbraw/zinc/09/91/52/491099152.db2.gz IVGBBDZAOOOKOK-SECBINFHSA-N 0 3 185.267 0.646 20 0 ACADHN Cc1c[nH]nc1CNCC(C)(C)O 308372228 491099246 /nfs/dbraw/zinc/09/92/46/491099246.db2.gz LKEZGXAXYGWBMR-UHFFFAOYSA-N 0 3 183.255 0.579 20 0 ACADHN CC[C@@H](C(=O)N[C@H](C)CF)N(C)C 308371436 491099252 /nfs/dbraw/zinc/09/92/52/491099252.db2.gz QJRQUPOARAVQPK-SFYZADRCSA-N 0 3 190.262 0.801 20 0 ACADHN CC[C@H](C(=O)N[C@H](C)CF)N(C)C 308371422 491099307 /nfs/dbraw/zinc/09/93/07/491099307.db2.gz QJRQUPOARAVQPK-HTQZYQBOSA-N 0 3 190.262 0.801 20 0 ACADHN C[C@H](O)CN(C)Cc1ccn(C)c1 308370043 491099350 /nfs/dbraw/zinc/09/93/50/491099350.db2.gz KGNSFXXXWPMGCV-VIFPVBQESA-N 0 3 182.267 0.838 20 0 ACADHN CCCN(C)CC(=O)NCC(F)F 308373094 491099356 /nfs/dbraw/zinc/09/93/56/491099356.db2.gz QYSTZIVLHUSFGU-UHFFFAOYSA-N 0 3 194.225 0.710 20 0 ACADHN CCCCN(CC(N)=O)CC1CC1 308373587 491099422 /nfs/dbraw/zinc/09/94/22/491099422.db2.gz RBKHILGTVJTDFA-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN C[C@H](CO)N(C)CCOCC(F)F 308376755 491099534 /nfs/dbraw/zinc/09/95/34/491099534.db2.gz OEQFSUZLMQJGHH-SSDOTTSWSA-N 0 3 197.225 0.581 20 0 ACADHN CCN(CCCO)Cc1cnc[nH]1 308376146 491099573 /nfs/dbraw/zinc/09/95/73/491099573.db2.gz SGYUFTSCCUHTGR-UHFFFAOYSA-N 0 3 183.255 0.614 20 0 ACADHN Cc1c[nH]nc1CNCC[C@H](C)O 308376181 491099733 /nfs/dbraw/zinc/09/97/33/491099733.db2.gz NQIAHPKVODECTM-QMMMGPOBSA-N 0 3 183.255 0.579 20 0 ACADHN O[C@H]1CCN(CCOC2CCC2)C1 308379377 491099875 /nfs/dbraw/zinc/09/98/75/491099875.db2.gz PJJABKPVJNNRNM-VIFPVBQESA-N 0 3 185.267 0.622 20 0 ACADHN C[C@H](CO)N(C)Cc1ccn(C)c1 308379441 491099993 /nfs/dbraw/zinc/09/99/93/491099993.db2.gz PLGCYJIPPIYVEY-SECBINFHSA-N 0 3 182.267 0.838 20 0 ACADHN CCC[C@H]1CCCN(CC(N)=O)C1 308385602 491100175 /nfs/dbraw/zinc/10/01/75/491100175.db2.gz WSWQBJCHYOZXNG-VIFPVBQESA-N 0 3 184.283 0.984 20 0 ACADHN CCC[C@@H]1CCCN(CC(N)=O)C1 308385601 491100262 /nfs/dbraw/zinc/10/02/62/491100262.db2.gz WSWQBJCHYOZXNG-SECBINFHSA-N 0 3 184.283 0.984 20 0 ACADHN COC(C)(C)CN(C)[C@H](C)C(N)=O 308392419 491100718 /nfs/dbraw/zinc/10/07/18/491100718.db2.gz BRTOCPZIXJXQGF-SSDOTTSWSA-N 0 3 188.271 0.217 20 0 ACADHN CN(CCO)CCOCC1CCC1 308392088 491100759 /nfs/dbraw/zinc/10/07/59/491100759.db2.gz BLONFXGFAHFMKC-UHFFFAOYSA-N 0 3 187.283 0.727 20 0 ACADHN COC(C)(C)CN(C)[C@@H](C)C(N)=O 308392425 491100800 /nfs/dbraw/zinc/10/08/00/491100800.db2.gz BRTOCPZIXJXQGF-ZETCQYMHSA-N 0 3 188.271 0.217 20 0 ACADHN CCN1CCN(CCCO)[C@H](C)C1 308398165 491101179 /nfs/dbraw/zinc/10/11/79/491101179.db2.gz FRRRUBQCHUOSMG-SNVBAGLBSA-N 0 3 186.299 0.395 20 0 ACADHN CCN1CCN(CCCO)[C@@H](C)C1 308398164 491101235 /nfs/dbraw/zinc/10/12/35/491101235.db2.gz FRRRUBQCHUOSMG-JTQLQIEISA-N 0 3 186.299 0.395 20 0 ACADHN CN(C)C(=O)CNC1(C2CC2)CC1 308398562 491101253 /nfs/dbraw/zinc/10/12/53/491101253.db2.gz FXQAKIIYMUSRNS-UHFFFAOYSA-N 0 3 182.267 0.607 20 0 ACADHN OCCCN1CCOC[C@H]1C1CC1 308405733 491101841 /nfs/dbraw/zinc/10/18/41/491101841.db2.gz LTEVCQVGARVPJR-JTQLQIEISA-N 0 3 185.267 0.480 20 0 ACADHN CN(C)CCNC(=O)NCC1CC1 308405015 491101897 /nfs/dbraw/zinc/10/18/97/491101897.db2.gz JFNWJWYXYQGNLP-UHFFFAOYSA-N 0 3 185.271 0.257 20 0 ACADHN OCCCN1CCOC[C@@H]1C1CC1 308405734 491102078 /nfs/dbraw/zinc/10/20/78/491102078.db2.gz LTEVCQVGARVPJR-SNVBAGLBSA-N 0 3 185.267 0.480 20 0 ACADHN COCC1(C)CN(CC(C)(C)O)C1 308405417 491102090 /nfs/dbraw/zinc/10/20/90/491102090.db2.gz JKNKZRVIFPOMLU-UHFFFAOYSA-N 0 3 187.283 0.726 20 0 ACADHN OC[C@@H](CC(F)F)N[C@@H]1CCOC1 308413610 491102200 /nfs/dbraw/zinc/10/22/00/491102200.db2.gz PRGHTRGOAGQZLR-RNFRBKRXSA-N 0 3 195.209 0.381 20 0 ACADHN OC[C@@H](CC(F)F)N[C@H]1CCOC1 308413608 491102261 /nfs/dbraw/zinc/10/22/61/491102261.db2.gz PRGHTRGOAGQZLR-NKWVEPMBSA-N 0 3 195.209 0.381 20 0 ACADHN COCCN(CCCF)CCOC 308412238 491102266 /nfs/dbraw/zinc/10/22/66/491102266.db2.gz LWRORXAOYJZSDU-UHFFFAOYSA-N 0 3 193.262 0.941 20 0 ACADHN OC[C@H](CC(F)F)N[C@H]1CCOC1 308413607 491102269 /nfs/dbraw/zinc/10/22/69/491102269.db2.gz PRGHTRGOAGQZLR-BQBZGAKWSA-N 0 3 195.209 0.381 20 0 ACADHN OC[C@H](CC(F)F)N[C@@H]1CCOC1 308413611 491102295 /nfs/dbraw/zinc/10/22/95/491102295.db2.gz PRGHTRGOAGQZLR-RQJHMYQMSA-N 0 3 195.209 0.381 20 0 ACADHN COCCN(CC(N)=O)C(C)(C)C 308413598 491102346 /nfs/dbraw/zinc/10/23/46/491102346.db2.gz MHFBULKDEYRKME-UHFFFAOYSA-N 0 3 188.271 0.219 20 0 ACADHN CC[C@@H](C(N)=O)N(C)CCC1CC1 308429961 491103555 /nfs/dbraw/zinc/10/35/55/491103555.db2.gz STHWSMSTNOPLLT-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN OCC1(NCc2cn[nH]c2)CCC1 308418106 491102452 /nfs/dbraw/zinc/10/24/52/491102452.db2.gz RMMZWBROROZOQY-UHFFFAOYSA-N 0 3 181.239 0.414 20 0 ACADHN CN(C)CCNC(=O)CC1(C)CC1 308413652 491102529 /nfs/dbraw/zinc/10/25/29/491102529.db2.gz MJPLYKXQFWITGE-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CC[C@H](C(N)=O)N(C)CCC1CC1 308429956 491103588 /nfs/dbraw/zinc/10/35/88/491103588.db2.gz STHWSMSTNOPLLT-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN NC(=O)C1(NCC2CCCC2)CC1 308424841 491103123 /nfs/dbraw/zinc/10/31/23/491103123.db2.gz VVPIUJHYCDWJHG-UHFFFAOYSA-N 0 3 182.267 0.784 20 0 ACADHN CCCN(C)CCNC(=O)N(C)C 308428474 491103350 /nfs/dbraw/zinc/10/33/50/491103350.db2.gz SGOBPRASGJIUPQ-UHFFFAOYSA-N 0 3 187.287 0.599 20 0 ACADHN CC[C@@H](O)CN(C)C1(COC)CC1 308432453 491103717 /nfs/dbraw/zinc/10/37/17/491103717.db2.gz ULBFZWBXISZAAI-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN CN(C)CCNC(=O)CC(C)(F)F 308442588 491104358 /nfs/dbraw/zinc/10/43/58/491104358.db2.gz ZNHDHMMAISJKAK-UHFFFAOYSA-N 0 3 194.225 0.710 20 0 ACADHN CCCN[C@H](C)c1ccc(=O)[nH]n1 308444285 491104491 /nfs/dbraw/zinc/10/44/91/491104491.db2.gz AMUJZWPXLQXRQA-SSDOTTSWSA-N 0 3 181.239 0.831 20 0 ACADHN CCCN[C@@H](C)c1ccc(=O)[nH]n1 308444286 491104640 /nfs/dbraw/zinc/10/46/40/491104640.db2.gz AMUJZWPXLQXRQA-ZETCQYMHSA-N 0 3 181.239 0.831 20 0 ACADHN Cn1cncc1CNCCC(C)(C)O 308449587 491105074 /nfs/dbraw/zinc/10/50/74/491105074.db2.gz ATVBESZMSYVGLQ-UHFFFAOYSA-N 0 3 197.282 0.671 20 0 ACADHN Cc1nnc(N(C)CCN(C)C)o1 308462810 491105829 /nfs/dbraw/zinc/10/58/29/491105829.db2.gz ICPGJJRJZIAABJ-UHFFFAOYSA-N 0 3 184.243 0.376 20 0 ACADHN Cn1nncc1CNCCC(C)(C)O 308512192 491109436 /nfs/dbraw/zinc/10/94/36/491109436.db2.gz SPDFOPNIAIHSDO-UHFFFAOYSA-N 0 3 198.270 0.066 20 0 ACADHN COCC[C@@H](C)NC1(C(N)=O)CC1 308477391 491106180 /nfs/dbraw/zinc/10/61/80/491106180.db2.gz MHEKLLWFNXZUNV-SSDOTTSWSA-N 0 3 186.255 0.019 20 0 ACADHN COCC[C@H](C)NC1(C(N)=O)CC1 308477392 491106263 /nfs/dbraw/zinc/10/62/63/491106263.db2.gz MHEKLLWFNXZUNV-ZETCQYMHSA-N 0 3 186.255 0.019 20 0 ACADHN OCCN(Cc1cn[nH]c1)C1CCC1 308476372 491106334 /nfs/dbraw/zinc/10/63/34/491106334.db2.gz KQOULSZLFQCOHV-UHFFFAOYSA-N 0 3 195.266 0.757 20 0 ACADHN CCC1(C(=O)NCCN(C)C)CC1 308481065 491106538 /nfs/dbraw/zinc/10/65/38/491106538.db2.gz NIKWJKOMOHBVQX-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CN(C)CCN(C)C(=O)C1CCC1 308484301 491106844 /nfs/dbraw/zinc/10/68/44/491106844.db2.gz OKTFVKQSYLCDON-UHFFFAOYSA-N 0 3 184.283 0.807 20 0 ACADHN CNC(=O)[C@H]1CCC[C@H]1NCCF 308490960 491107277 /nfs/dbraw/zinc/10/72/77/491107277.db2.gz RBZWXGKDLRABEH-JGVFFNPUSA-N 0 3 188.246 0.460 20 0 ACADHN CC[C@H](C)[C@@H](C)NCc1nnnn1C 308491761 491107288 /nfs/dbraw/zinc/10/72/88/491107288.db2.gz BXDIKRPFJMVQJW-JGVFFNPUSA-N 0 3 197.286 0.734 20 0 ACADHN CC[C@@H](C)[C@@H](C)NCc1nnnn1C 308491760 491107305 /nfs/dbraw/zinc/10/73/05/491107305.db2.gz BXDIKRPFJMVQJW-HTQZYQBOSA-N 0 3 197.286 0.734 20 0 ACADHN CNC(=O)[C@H]1CCC[C@@H]1NCCF 308490962 491107317 /nfs/dbraw/zinc/10/73/17/491107317.db2.gz RBZWXGKDLRABEH-YUMQZZPRSA-N 0 3 188.246 0.460 20 0 ACADHN CC[C@@H](C)[C@H](C)NCc1nnnn1C 308491762 491107320 /nfs/dbraw/zinc/10/73/20/491107320.db2.gz BXDIKRPFJMVQJW-SFYZADRCSA-N 0 3 197.286 0.734 20 0 ACADHN CNC(=O)[C@@H]1CCC[C@H]1NCCF 308490959 491107329 /nfs/dbraw/zinc/10/73/29/491107329.db2.gz RBZWXGKDLRABEH-HTQZYQBOSA-N 0 3 188.246 0.460 20 0 ACADHN CC[C@H](C)[C@H](C)NCc1nnnn1C 308491763 491107345 /nfs/dbraw/zinc/10/73/45/491107345.db2.gz BXDIKRPFJMVQJW-YUMQZZPRSA-N 0 3 197.286 0.734 20 0 ACADHN CNC(=O)[C@@H]1CCC[C@@H]1NCCF 308490961 491107400 /nfs/dbraw/zinc/10/74/00/491107400.db2.gz RBZWXGKDLRABEH-SFYZADRCSA-N 0 3 188.246 0.460 20 0 ACADHN OC[C@@]1(NCc2cc[nH]c2)CCOC1 308507585 491109100 /nfs/dbraw/zinc/10/91/00/491109100.db2.gz GPSHCUGUHDAKBC-JTQLQIEISA-N 0 3 196.250 0.256 20 0 ACADHN OC[C@]1(NCc2cc[nH]c2)CCOC1 308507586 491109138 /nfs/dbraw/zinc/10/91/38/491109138.db2.gz GPSHCUGUHDAKBC-SNVBAGLBSA-N 0 3 196.250 0.256 20 0 ACADHN OCC[C@H]1CCCN1Cc1cn[nH]c1 308508673 491109148 /nfs/dbraw/zinc/10/91/48/491109148.db2.gz QTRVFFFTJPEGIV-SNVBAGLBSA-N 0 3 195.266 0.757 20 0 ACADHN CN(C)C(=O)CCN1CC=CCC1 308498700 491108045 /nfs/dbraw/zinc/10/80/45/491108045.db2.gz VLUWUIINSCSJOQ-UHFFFAOYSA-N 0 3 182.267 0.727 20 0 ACADHN COCCCN(C)Cc1cnc[nH]1 308499325 491108168 /nfs/dbraw/zinc/10/81/68/491108168.db2.gz VVMMBEOYJFHXOX-UHFFFAOYSA-N 0 3 183.255 0.878 20 0 ACADHN OCC[C@@H]1CCCN1Cc1cn[nH]c1 308508672 491109175 /nfs/dbraw/zinc/10/91/75/491109175.db2.gz QTRVFFFTJPEGIV-JTQLQIEISA-N 0 3 195.266 0.757 20 0 ACADHN CC(C)[C@H](CO)CNCc1ncc[nH]1 308502915 491108627 /nfs/dbraw/zinc/10/86/27/491108627.db2.gz HLMGTGOTYLIIMW-VIFPVBQESA-N 0 3 197.282 0.764 20 0 ACADHN CC(C)[C@@H](CO)CNCc1ncc[nH]1 308502914 491108725 /nfs/dbraw/zinc/10/87/25/491108725.db2.gz HLMGTGOTYLIIMW-SECBINFHSA-N 0 3 197.282 0.764 20 0 ACADHN Cn1cncc1CNCCN1CCC1 308502324 491108838 /nfs/dbraw/zinc/10/88/38/491108838.db2.gz AVFXUQDTJWEDTM-UHFFFAOYSA-N 0 3 194.282 0.215 20 0 ACADHN Cn1cc(C(C)(C)NCCCO)cn1 308504865 491108922 /nfs/dbraw/zinc/10/89/22/491108922.db2.gz DGRZJYUNSWRLNV-UHFFFAOYSA-N 0 3 197.282 0.627 20 0 ACADHN OC[C@@H]1C[C@H]1NCc1ccc(O)cc1 308505717 491108939 /nfs/dbraw/zinc/10/89/39/491108939.db2.gz DYDSFPVWVRLOOC-GXSJLCMTSA-N 0 3 193.246 0.863 20 0 ACADHN NC(=O)C1(NCC[C@H]2CCCO2)CC1 308516179 491109812 /nfs/dbraw/zinc/10/98/12/491109812.db2.gz NTNPVJLTIMFUMU-MRVPVSSYSA-N 0 3 198.266 0.163 20 0 ACADHN OCCCN[C@H](CCO)c1ccco1 308517111 491109820 /nfs/dbraw/zinc/10/98/20/491109820.db2.gz OFSGOCHGRXLYNE-SECBINFHSA-N 0 3 199.250 0.675 20 0 ACADHN CO[C@@H](C)[C@H](C)NCc1cncn1C 308517007 491109827 /nfs/dbraw/zinc/10/98/27/491109827.db2.gz NBFYYXKPQSEDSC-IUCAKERBSA-N 0 3 197.282 0.933 20 0 ACADHN NC(=O)C1(NCC[C@@H]2CCCO2)CC1 308516180 491109839 /nfs/dbraw/zinc/10/98/39/491109839.db2.gz NTNPVJLTIMFUMU-QMMMGPOBSA-N 0 3 198.266 0.163 20 0 ACADHN Cc1n[nH]cc1CNCCC(C)(C)O 308516513 491109868 /nfs/dbraw/zinc/10/98/68/491109868.db2.gz VEZSNDCPAZSIPL-UHFFFAOYSA-N 0 3 197.282 0.969 20 0 ACADHN CO[C@H](C)[C@H](C)NCc1cncn1C 308517006 491109908 /nfs/dbraw/zinc/10/99/08/491109908.db2.gz NBFYYXKPQSEDSC-DTWKUNHWSA-N 0 3 197.282 0.933 20 0 ACADHN OCCCN[C@@H](CCO)c1ccco1 308517112 491109916 /nfs/dbraw/zinc/10/99/16/491109916.db2.gz OFSGOCHGRXLYNE-VIFPVBQESA-N 0 3 199.250 0.675 20 0 ACADHN O=C(CNC1(C2CC2)CC1)N1CCC1 308520397 491110179 /nfs/dbraw/zinc/11/01/79/491110179.db2.gz RLEKRRXIGFLZKH-UHFFFAOYSA-N 0 3 194.278 0.751 20 0 ACADHN OC1CC(CCNCc2cc[nH]n2)C1 308525245 491110299 /nfs/dbraw/zinc/11/02/99/491110299.db2.gz XCEHSINZXGSZCD-UHFFFAOYSA-N 0 3 195.266 0.660 20 0 ACADHN C[C@H](NCC1(CO)CC1)c1cn[nH]c1 308527888 491110325 /nfs/dbraw/zinc/11/03/25/491110325.db2.gz JIBOACCPWIRKDY-QMMMGPOBSA-N 0 3 195.266 0.833 20 0 ACADHN Cn1nncc1CNC1(C2CC2)CC1 308523412 491110344 /nfs/dbraw/zinc/11/03/44/491110344.db2.gz VMXYIRRMKPDTNX-UHFFFAOYSA-N 0 3 192.266 0.847 20 0 ACADHN c1cncc(CNCCN2CCC2)c1 308526937 491110387 /nfs/dbraw/zinc/11/03/87/491110387.db2.gz JMCOJUKNFDRCIX-UHFFFAOYSA-N 0 3 191.278 0.877 20 0 ACADHN C[C@@H](NCC1(CO)CC1)c1cn[nH]c1 308527886 491110405 /nfs/dbraw/zinc/11/04/05/491110405.db2.gz JIBOACCPWIRKDY-MRVPVSSYSA-N 0 3 195.266 0.833 20 0 ACADHN CC(C)(C)[C@@H](CO)NCc1c[nH]cn1 308528840 491110581 /nfs/dbraw/zinc/11/05/81/491110581.db2.gz RHGPDNJHQQSYHH-SECBINFHSA-N 0 3 197.282 0.906 20 0 ACADHN CC(C)(C)[C@@H](CO)NCc1cnc[nH]1 308528840 491110582 /nfs/dbraw/zinc/11/05/82/491110582.db2.gz RHGPDNJHQQSYHH-SECBINFHSA-N 0 3 197.282 0.906 20 0 ACADHN c1cc(CNCCc2cn[nH]c2)n[nH]1 308532526 491110592 /nfs/dbraw/zinc/11/05/92/491110592.db2.gz RXRHPSKTNNHOBF-UHFFFAOYSA-N 0 3 191.238 0.465 20 0 ACADHN CC(C)(C)[C@H](CO)NCc1c[nH]cn1 308528844 491110604 /nfs/dbraw/zinc/11/06/04/491110604.db2.gz RHGPDNJHQQSYHH-VIFPVBQESA-N 0 3 197.282 0.906 20 0 ACADHN CC(C)(C)[C@H](CO)NCc1cnc[nH]1 308528844 491110605 /nfs/dbraw/zinc/11/06/05/491110605.db2.gz RHGPDNJHQQSYHH-VIFPVBQESA-N 0 3 197.282 0.906 20 0 ACADHN CC[C@H](CO)NCc1c(C)cnn1C 308540827 491110787 /nfs/dbraw/zinc/11/07/87/491110787.db2.gz UNFXHVACKOARPD-SECBINFHSA-N 0 3 197.282 0.589 20 0 ACADHN Cn1cccc1CNCCN1CCC1 308535771 491110895 /nfs/dbraw/zinc/11/08/95/491110895.db2.gz DOTCFDHLNZWLTE-UHFFFAOYSA-N 0 3 193.294 0.820 20 0 ACADHN Cc1c[nH]nc1CNC[C@H](O)C(C)C 308545600 491111041 /nfs/dbraw/zinc/11/10/41/491111041.db2.gz VSWALOJUGARLSE-JTQLQIEISA-N 0 3 197.282 0.825 20 0 ACADHN c1ccc(CNCCN2CCC2)nc1 308546789 491111101 /nfs/dbraw/zinc/11/11/01/491111101.db2.gz PYFYRXKOJJOHRD-UHFFFAOYSA-N 0 3 191.278 0.877 20 0 ACADHN Cc1c[nH]nc1CNC[C@@H](O)C(C)C 308545601 491111150 /nfs/dbraw/zinc/11/11/50/491111150.db2.gz VSWALOJUGARLSE-SNVBAGLBSA-N 0 3 197.282 0.825 20 0 ACADHN c1cc(CNCCN2CCC2)ccn1 308553898 491111576 /nfs/dbraw/zinc/11/15/76/491111576.db2.gz YOQGRXUCPBXAEM-UHFFFAOYSA-N 0 3 191.278 0.877 20 0 ACADHN COC[C@@H](C)NCc1c(C)cnn1C 308553940 491111604 /nfs/dbraw/zinc/11/16/04/491111604.db2.gz YPWDRVAXXHBXAJ-SECBINFHSA-N 0 3 197.282 0.853 20 0 ACADHN COCC1(NCc2cncn2C)CC1 308566270 491111820 /nfs/dbraw/zinc/11/18/20/491111820.db2.gz ATQAUSBQUIIQTO-UHFFFAOYSA-N 0 3 195.266 0.689 20 0 ACADHN COCC1(NCc2cnn(C)c2)CC1 308572443 491112073 /nfs/dbraw/zinc/11/20/73/491112073.db2.gz CJYUQTMITHQNFU-UHFFFAOYSA-N 0 3 195.266 0.689 20 0 ACADHN CCC1(CNCc2cc[nH]n2)COC1 308631195 491115011 /nfs/dbraw/zinc/11/50/11/491115011.db2.gz YYWCIBIHNBMILV-UHFFFAOYSA-N 0 3 195.266 0.926 20 0 ACADHN Cc1ccoc1CN(C)CCC(N)=O 308582398 491112663 /nfs/dbraw/zinc/11/26/63/491112663.db2.gz PZMZFQXNHYTUSG-UHFFFAOYSA-N 0 3 196.250 0.895 20 0 ACADHN Cc1c[nH]nc1CN[C@H](C)C[C@@H](C)O 308622208 491114565 /nfs/dbraw/zinc/11/45/65/491114565.db2.gz ULQUMWHYPJPQLQ-RKDXNWHRSA-N 0 3 197.282 0.967 20 0 ACADHN Cc1c[nH]nc1CN[C@@H](C)C[C@@H](C)O 308622206 491114574 /nfs/dbraw/zinc/11/45/74/491114574.db2.gz ULQUMWHYPJPQLQ-DTWKUNHWSA-N 0 3 197.282 0.967 20 0 ACADHN Cc1c[nH]nc1CN[C@@H](C)C[C@H](C)O 308622207 491114602 /nfs/dbraw/zinc/11/46/02/491114602.db2.gz ULQUMWHYPJPQLQ-IUCAKERBSA-N 0 3 197.282 0.967 20 0 ACADHN CC(C)n1nccc1CN[C@H](C)CO 308589251 491113059 /nfs/dbraw/zinc/11/30/59/491113059.db2.gz UJOCVMMULCUELZ-SECBINFHSA-N 0 3 197.282 0.934 20 0 ACADHN CCN(C)C(=O)CNC1(C2CC2)CC1 308585634 491113119 /nfs/dbraw/zinc/11/31/19/491113119.db2.gz IFXDMWOWGFTWOS-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CC(C)n1nccc1CN[C@@H](C)CO 308589252 491113190 /nfs/dbraw/zinc/11/31/90/491113190.db2.gz UJOCVMMULCUELZ-VIFPVBQESA-N 0 3 197.282 0.934 20 0 ACADHN Cc1c[nH]nc1CN[C@@H](C)CN(C)C 308592809 491113331 /nfs/dbraw/zinc/11/33/31/491113331.db2.gz LBMCFZMJGIWBBP-VIFPVBQESA-N 0 3 196.298 0.758 20 0 ACADHN Cc1cnn(C)c1CNCC[C@H](C)O 308592783 491113333 /nfs/dbraw/zinc/11/33/33/491113333.db2.gz LAFMHKGLVBFGFQ-VIFPVBQESA-N 0 3 197.282 0.589 20 0 ACADHN CC[C@@H](CO)NCc1c(C)cnn1C 308622232 491114648 /nfs/dbraw/zinc/11/46/48/491114648.db2.gz UNFXHVACKOARPD-VIFPVBQESA-N 0 3 197.282 0.589 20 0 ACADHN COCCNC(C)(C)c1cnn(C)c1 308595032 491113448 /nfs/dbraw/zinc/11/34/48/491113448.db2.gz MBQVAOCONWBOTF-UHFFFAOYSA-N 0 3 197.282 0.891 20 0 ACADHN CCOCCNCc1c(C)cnn1C 308594458 491113550 /nfs/dbraw/zinc/11/35/50/491113550.db2.gz LVQMWIPSUXVOAK-UHFFFAOYSA-N 0 3 197.282 0.855 20 0 ACADHN Cc1c[nH]nc1CN[C@H](C)C[C@H](C)O 308622204 491114695 /nfs/dbraw/zinc/11/46/95/491114695.db2.gz ULQUMWHYPJPQLQ-BDAKNGLRSA-N 0 3 197.282 0.967 20 0 ACADHN CN[C@@H](Cc1ccc(F)cc1)C(N)=O 308595886 491113643 /nfs/dbraw/zinc/11/36/43/491113643.db2.gz MMLPBBKASXSYHU-VIFPVBQESA-N 0 3 196.225 0.442 20 0 ACADHN CN[C@H](Cc1ccc(F)cc1)C(N)=O 308595885 491113656 /nfs/dbraw/zinc/11/36/56/491113656.db2.gz MMLPBBKASXSYHU-SECBINFHSA-N 0 3 196.225 0.442 20 0 ACADHN Cc1c[nH]nc1CN[C@@H](C)C(C)(C)O 308600031 491113802 /nfs/dbraw/zinc/11/38/02/491113802.db2.gz OAMWIRYLAZCGCM-QMMMGPOBSA-N 0 3 197.282 0.967 20 0 ACADHN CO[C@H](C)[C@@H](C)NCc1cnnn1C 308602376 491113950 /nfs/dbraw/zinc/11/39/50/491113950.db2.gz ORRABSXWBJBKPH-HTQZYQBOSA-N 0 3 198.270 0.328 20 0 ACADHN CO[C@@H](C)[C@H](C)NCc1cnnn1C 308602379 491113952 /nfs/dbraw/zinc/11/39/52/491113952.db2.gz ORRABSXWBJBKPH-YUMQZZPRSA-N 0 3 198.270 0.328 20 0 ACADHN CO[C@H](C)[C@H](C)NCc1cnnn1C 308602377 491113978 /nfs/dbraw/zinc/11/39/78/491113978.db2.gz ORRABSXWBJBKPH-JGVFFNPUSA-N 0 3 198.270 0.328 20 0 ACADHN C[C@@H](CCCO)NCc1cn(C)cn1 308624684 491114748 /nfs/dbraw/zinc/11/47/48/491114748.db2.gz ZUBCUUPEFIPLNO-VIFPVBQESA-N 0 3 197.282 0.671 20 0 ACADHN CO[C@@H](C)[C@@H](C)NCc1cnnn1C 308602378 491114006 /nfs/dbraw/zinc/11/40/06/491114006.db2.gz ORRABSXWBJBKPH-SFYZADRCSA-N 0 3 198.270 0.328 20 0 ACADHN C[C@H](CCCO)NCc1cn(C)cn1 308624683 491114760 /nfs/dbraw/zinc/11/47/60/491114760.db2.gz ZUBCUUPEFIPLNO-SECBINFHSA-N 0 3 197.282 0.671 20 0 ACADHN COCCCCNCc1cn(C)cn1 308606161 491114130 /nfs/dbraw/zinc/11/41/30/491114130.db2.gz HRUWKLVHVCTNTR-UHFFFAOYSA-N 0 3 197.282 0.936 20 0 ACADHN CCCCN[C@H](CO)c1cnn(C)c1 308623660 491114774 /nfs/dbraw/zinc/11/47/74/491114774.db2.gz VBXITCMWXWFBEH-SNVBAGLBSA-N 0 3 197.282 0.843 20 0 ACADHN CN(C)CCNc1nnc(C2CC2)o1 308610895 491114160 /nfs/dbraw/zinc/11/41/60/491114160.db2.gz QQWYRLXYGYRMGA-UHFFFAOYSA-N 0 3 196.254 0.921 20 0 ACADHN CCCCN[C@@H](CO)c1cnn(C)c1 308623658 491114784 /nfs/dbraw/zinc/11/47/84/491114784.db2.gz VBXITCMWXWFBEH-JTQLQIEISA-N 0 3 197.282 0.843 20 0 ACADHN Cc1c[nH]nc1CNCC1(CO)CC1 308760937 491119001 /nfs/dbraw/zinc/11/90/01/491119001.db2.gz YAOVYOZIKHMYHN-UHFFFAOYSA-N 0 3 195.266 0.580 20 0 ACADHN Cc1nnc(NCCN(C)C2CC2)o1 308626612 491115116 /nfs/dbraw/zinc/11/51/16/491115116.db2.gz WXFSDENKYZNRRZ-UHFFFAOYSA-N 0 3 196.254 0.884 20 0 ACADHN Cc1c[nH]nc1CN[C@H](CO)C(C)C 308634484 491115201 /nfs/dbraw/zinc/11/52/01/491115201.db2.gz BXRVQUZEKNIJTA-SNVBAGLBSA-N 0 3 197.282 0.825 20 0 ACADHN CC(C)n1nccc1CNC[C@@H](C)O 308646178 491115908 /nfs/dbraw/zinc/11/59/08/491115908.db2.gz HSNUCYANXANQQW-SECBINFHSA-N 0 3 197.282 0.934 20 0 ACADHN Cc1cnn(C)c1CNC[C@H](C)CO 308650425 491115988 /nfs/dbraw/zinc/11/59/88/491115988.db2.gz KBNFIDVHPPZAGE-QMMMGPOBSA-N 0 3 197.282 0.447 20 0 ACADHN Cc1c[nH]nc1CNC[C@@H](C)N(C)C 308650651 491116061 /nfs/dbraw/zinc/11/60/61/491116061.db2.gz KGBCBWFYGGLSEM-SECBINFHSA-N 0 3 196.298 0.758 20 0 ACADHN Cc1cnn(C)c1CNC[C@@H](C)CO 308650424 491116074 /nfs/dbraw/zinc/11/60/74/491116074.db2.gz KBNFIDVHPPZAGE-MRVPVSSYSA-N 0 3 197.282 0.447 20 0 ACADHN C[C@H](NC1(C2CC2)CC1)C(=O)N(C)C 308663063 491116453 /nfs/dbraw/zinc/11/64/53/491116453.db2.gz RBYDHCDHVSOSEM-QMMMGPOBSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@@H](NC1(C2CC2)CC1)C(=O)N(C)C 308663061 491116602 /nfs/dbraw/zinc/11/66/02/491116602.db2.gz RBYDHCDHVSOSEM-MRVPVSSYSA-N 0 3 196.294 0.995 20 0 ACADHN CC(C)[C@@H](CO)CNCc1cc[nH]n1 308665103 491116729 /nfs/dbraw/zinc/11/67/29/491116729.db2.gz SAOAAJPUKOMSHN-SECBINFHSA-N 0 3 197.282 0.764 20 0 ACADHN CC(C)[C@H](CO)CNCc1cc[nH]n1 308665105 491116746 /nfs/dbraw/zinc/11/67/46/491116746.db2.gz SAOAAJPUKOMSHN-VIFPVBQESA-N 0 3 197.282 0.764 20 0 ACADHN Cc1c[nH]nc1CNC[C@H](C)CCO 308664699 491116753 /nfs/dbraw/zinc/11/67/53/491116753.db2.gz RWHUUHHHTQIDIB-MRVPVSSYSA-N 0 3 197.282 0.826 20 0 ACADHN Cc1c[nH]nc1CNC[C@@H](C)CCO 308664700 491116781 /nfs/dbraw/zinc/11/67/81/491116781.db2.gz RWHUUHHHTQIDIB-QMMMGPOBSA-N 0 3 197.282 0.826 20 0 ACADHN CC(C)(C)[C@H](CO)NCc1cn[nH]c1 308667335 491116799 /nfs/dbraw/zinc/11/67/99/491116799.db2.gz TVQBYACBIYUKEF-VIFPVBQESA-N 0 3 197.282 0.906 20 0 ACADHN CC(C)(C)[C@@H](CO)NCc1cn[nH]c1 308667334 491116801 /nfs/dbraw/zinc/11/68/01/491116801.db2.gz TVQBYACBIYUKEF-SECBINFHSA-N 0 3 197.282 0.906 20 0 ACADHN Cc1cnn(C)c1CN[C@@H](C)CCO 308715802 491117765 /nfs/dbraw/zinc/11/77/65/491117765.db2.gz BBFQKENQKBKCLF-VIFPVBQESA-N 0 3 197.282 0.589 20 0 ACADHN Cc1cnn(C)c1CN[C@H](C)CCO 308715800 491117786 /nfs/dbraw/zinc/11/77/86/491117786.db2.gz BBFQKENQKBKCLF-SECBINFHSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1cnn(C)c1CNC(C)(C)CO 308715241 491117817 /nfs/dbraw/zinc/11/78/17/491117817.db2.gz AXAQFRFDENKOOB-UHFFFAOYSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1c[nH]nc1CNCC1(C)COC1 308714752 491117829 /nfs/dbraw/zinc/11/78/29/491117829.db2.gz AVFGDGDXURORSN-UHFFFAOYSA-N 0 3 195.266 0.844 20 0 ACADHN Cc1c[nH]nc1CNC[C@H]1CCOC1 308724043 491117995 /nfs/dbraw/zinc/11/79/95/491117995.db2.gz FSCIKMIOKOCHNK-SECBINFHSA-N 0 3 195.266 0.844 20 0 ACADHN Cc1c[nH]nc1CNCCC(C)(C)O 308724657 491118015 /nfs/dbraw/zinc/11/80/15/491118015.db2.gz FWUOQLASJIUEPI-UHFFFAOYSA-N 0 3 197.282 0.969 20 0 ACADHN Cn1cc(CNCCN2CCC2)cn1 308725330 491118061 /nfs/dbraw/zinc/11/80/61/491118061.db2.gz GHSJRWNBISIDKB-UHFFFAOYSA-N 0 3 194.282 0.215 20 0 ACADHN Cc1cnn(C)c1CNCC(C)(C)O 308721036 491118089 /nfs/dbraw/zinc/11/80/89/491118089.db2.gz DDPMREPGYMZGFU-UHFFFAOYSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1c[nH]nc1CNC[C@@H]1CCOC1 308724046 491118108 /nfs/dbraw/zinc/11/81/08/491118108.db2.gz FSCIKMIOKOCHNK-VIFPVBQESA-N 0 3 195.266 0.844 20 0 ACADHN Cc1c[nH]nc1CNCCN1CCC1 308736333 491118445 /nfs/dbraw/zinc/11/84/45/491118445.db2.gz LNDDFZSCFBASHZ-UHFFFAOYSA-N 0 3 194.282 0.513 20 0 ACADHN Cc1c[nH]nc1CNCC(C)(C)CO 308740627 491118606 /nfs/dbraw/zinc/11/86/06/491118606.db2.gz ONOWNDYDMCDIDB-UHFFFAOYSA-N 0 3 197.282 0.826 20 0 ACADHN Cc1c[nH]nc1CNCCCCCO 308739026 491118645 /nfs/dbraw/zinc/11/86/45/491118645.db2.gz NIOOHEHSGCNQBR-UHFFFAOYSA-N 0 3 197.282 0.970 20 0 ACADHN CC[C@](C)(CO)NCc1n[nH]cc1C 308749691 491118738 /nfs/dbraw/zinc/11/87/38/491118738.db2.gz SZTBVZRCRIEBRC-SNVBAGLBSA-N 0 3 197.282 0.969 20 0 ACADHN CC[C@@](C)(CO)NCc1n[nH]cc1C 308749687 491118775 /nfs/dbraw/zinc/11/87/75/491118775.db2.gz SZTBVZRCRIEBRC-JTQLQIEISA-N 0 3 197.282 0.969 20 0 ACADHN Cc1n[nH]cc1CNCCN1CCC1 308745182 491118849 /nfs/dbraw/zinc/11/88/49/491118849.db2.gz QXRWMCXDKFMAEY-UHFFFAOYSA-N 0 3 194.282 0.513 20 0 ACADHN CC[C@@H](CCO)NCc1n[nH]cc1C 308746429 491118855 /nfs/dbraw/zinc/11/88/55/491118855.db2.gz RFTNGLFMMNYTFD-VIFPVBQESA-N 0 3 197.282 0.969 20 0 ACADHN CC[C@H](CCO)NCc1n[nH]cc1C 308746428 491118861 /nfs/dbraw/zinc/11/88/61/491118861.db2.gz RFTNGLFMMNYTFD-SECBINFHSA-N 0 3 197.282 0.969 20 0 ACADHN C[C@@H](O)CN(C)CCOCC(F)F 379370160 491119342 /nfs/dbraw/zinc/11/93/42/491119342.db2.gz FWLHBMNLXRNTSR-SSDOTTSWSA-N 0 3 197.225 0.581 20 0 ACADHN CCCN(CCCOC)CC(N)=O 388350041 491119442 /nfs/dbraw/zinc/11/94/42/491119442.db2.gz ODAADOTUYPZHMS-UHFFFAOYSA-N 0 3 188.271 0.220 20 0 ACADHN Cc1c[nH]nc1CNC[C@@H]1CCCO1 389310384 491119587 /nfs/dbraw/zinc/11/95/87/491119587.db2.gz OQASZMMCERJQOY-VIFPVBQESA-N 0 3 195.266 0.987 20 0 ACADHN CC1CCC(NC(=O)CN)CC1 19429914 1188767069 /nfs/dbraw/zinc/76/70/69/1188767069.db2.gz XYZAGHBRGZBIJR-UHFFFAOYSA-N 0 3 170.256 0.640 20 0 ACADHN CCCCNC(=O)[C@@H](N)CCOC 52790810 1188769823 /nfs/dbraw/zinc/76/98/23/1188769823.db2.gz AYDUZMYQKILZHU-QMMMGPOBSA-N 0 3 188.271 0.267 20 0 ACADHN CCCCNC(=O)[C@H](N)CCOC 52790809 1188769950 /nfs/dbraw/zinc/76/99/50/1188769950.db2.gz AYDUZMYQKILZHU-MRVPVSSYSA-N 0 3 188.271 0.267 20 0 ACADHN COCCNCc1cc(C)n[nH]1 53292989 1188770367 /nfs/dbraw/zinc/77/03/67/1188770367.db2.gz WEFOPQJIPWYKSQ-UHFFFAOYSA-N 0 3 169.228 0.454 20 0 ACADHN COCCNCc1cc(C)[nH]n1 53292989 1188770370 /nfs/dbraw/zinc/77/03/70/1188770370.db2.gz WEFOPQJIPWYKSQ-UHFFFAOYSA-N 0 3 169.228 0.454 20 0 ACADHN CC[C@@H](N)C(=O)N(C)CC1CCC1 61480582 1188771072 /nfs/dbraw/zinc/77/10/72/1188771072.db2.gz XMTNACRWNPWDCR-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@H](N)C(=O)N(C)CC1CCC1 61480576 1188771782 /nfs/dbraw/zinc/77/17/82/1188771782.db2.gz XMTNACRWNPWDCR-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN CNC(=O)[C@@H](N)C1CCCCC1 77263904 1188774327 /nfs/dbraw/zinc/77/43/27/1188774327.db2.gz YIFZDPYZBLEARM-QMMMGPOBSA-N 0 3 170.256 0.640 20 0 ACADHN CN(C)C(=O)[C@H](N)C1CCCCC1 77271395 1188774820 /nfs/dbraw/zinc/77/48/20/1188774820.db2.gz SFPHQVMDWCZPNT-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN CNC(=O)[C@H](N)C1CCCCC1 77263900 1188775316 /nfs/dbraw/zinc/77/53/16/1188775316.db2.gz YIFZDPYZBLEARM-MRVPVSSYSA-N 0 3 170.256 0.640 20 0 ACADHN CSCC[C@@H](C)NC(=O)[C@@H](C)N 157691012 1188779279 /nfs/dbraw/zinc/77/92/79/1188779279.db2.gz JGANBFKODDTSDZ-RNFRBKRXSA-N 0 3 190.312 0.591 20 0 ACADHN CSCC[C@H](C)NC(=O)[C@@H](C)N 157690870 1188779348 /nfs/dbraw/zinc/77/93/48/1188779348.db2.gz JGANBFKODDTSDZ-NKWVEPMBSA-N 0 3 190.312 0.591 20 0 ACADHN C[C@@H](N)C(=O)NCCC1CCC1 157680672 1188779359 /nfs/dbraw/zinc/77/93/59/1188779359.db2.gz JBSHILZCAKSEJZ-SSDOTTSWSA-N 0 3 170.256 0.640 20 0 ACADHN CSC(C)(C)CNC(=O)[C@H](C)N 157666654 1188779393 /nfs/dbraw/zinc/77/93/93/1188779393.db2.gz NMMHRPMDIMTLOQ-LURJTMIESA-N 0 3 190.312 0.591 20 0 ACADHN CSC(C)(C)CNC(=O)[C@@H](C)N 157667556 1188779474 /nfs/dbraw/zinc/77/94/74/1188779474.db2.gz NMMHRPMDIMTLOQ-ZCFIWIBFSA-N 0 3 190.312 0.591 20 0 ACADHN C[C@H](N)C(=O)NCCC1CCC1 157679803 1188779770 /nfs/dbraw/zinc/77/97/70/1188779770.db2.gz JBSHILZCAKSEJZ-ZETCQYMHSA-N 0 3 170.256 0.640 20 0 ACADHN COCCC(=O)N(C)CCN(C)C 169811671 1188782197 /nfs/dbraw/zinc/78/21/97/1188782197.db2.gz GNXGJPAEJADANI-UHFFFAOYSA-N 0 3 188.271 0.043 20 0 ACADHN CCN(C)Cc1cnc[nH]1 203094771 1188785032 /nfs/dbraw/zinc/78/50/32/1188785032.db2.gz XSZAWSAEZKWKIO-UHFFFAOYSA-N 0 3 139.202 0.861 20 0 ACADHN COc1cc(CN)nc(OC)c1 214900827 1188785666 /nfs/dbraw/zinc/78/56/66/1188785666.db2.gz XLNCTEMHCWZXJZ-UHFFFAOYSA-N 0 3 168.196 0.558 20 0 ACADHN FCCN1C[C@H]2C[C@H]2C1 222773297 1188786774 /nfs/dbraw/zinc/78/67/74/1188786774.db2.gz QOKDOYWLVYJYCV-KNVOCYPGSA-N 0 3 129.178 0.908 20 0 ACADHN C[C@@H](O)CCCNCc1cnnn1C 227958981 1188789265 /nfs/dbraw/zinc/78/92/65/1188789265.db2.gz LWIPIIHRANFQDL-MRVPVSSYSA-N 0 3 198.270 0.066 20 0 ACADHN CC[C@H](N)c1cn(CCCCO)nn1 229936233 1188791392 /nfs/dbraw/zinc/79/13/92/1188791392.db2.gz XXVWYVHUPURBDR-QMMMGPOBSA-N 0 3 198.270 0.460 20 0 ACADHN CC[C@H](N)c1cn(C[C@H](C)O)nn1 229935924 1188791609 /nfs/dbraw/zinc/79/16/09/1188791609.db2.gz BWQMNVWAQFQPHN-BQBZGAKWSA-N 0 3 184.243 0.069 20 0 ACADHN CC[C@@H](N)c1cn(CCCCO)nn1 229936229 1188791871 /nfs/dbraw/zinc/79/18/71/1188791871.db2.gz XXVWYVHUPURBDR-MRVPVSSYSA-N 0 3 198.270 0.460 20 0 ACADHN CC[C@@H](N)c1cn(CCCO)nn1 229943886 1188791907 /nfs/dbraw/zinc/79/19/07/1188791907.db2.gz NJNRPNMIGLZZOC-SSDOTTSWSA-N 0 3 184.243 0.070 20 0 ACADHN OCC1(NCCF)CCOCC1 229958964 1188791999 /nfs/dbraw/zinc/79/19/99/1188791999.db2.gz NAMICOKBHRGVOO-UHFFFAOYSA-N 0 3 177.219 0.087 20 0 ACADHN CC[C@H](N)c1cn(CCCO)nn1 229943891 1188792059 /nfs/dbraw/zinc/79/20/59/1188792059.db2.gz NJNRPNMIGLZZOC-ZETCQYMHSA-N 0 3 184.243 0.070 20 0 ACADHN CC[C@@H](N)c1cn(C[C@H](C)O)nn1 229935920 1188792168 /nfs/dbraw/zinc/79/21/68/1188792168.db2.gz BWQMNVWAQFQPHN-NKWVEPMBSA-N 0 3 184.243 0.069 20 0 ACADHN CC(=O)NCCNC/C=C/Cl 232578202 1188793295 /nfs/dbraw/zinc/79/32/95/1188793295.db2.gz BFADKMFIKHFTDQ-NSCUHMNNSA-N 0 3 176.647 0.465 20 0 ACADHN CC[C@@H]1CC[C@H](C)N(C(=O)CN)C1 306240831 1188796834 /nfs/dbraw/zinc/79/68/34/1188796834.db2.gz RESVKIHFVYKRDC-DTWKUNHWSA-N 0 3 184.283 0.982 20 0 ACADHN Cc1cc(CN[C@@]2(C)CCOC2)[nH]n1 306244397 1188796855 /nfs/dbraw/zinc/79/68/55/1188796855.db2.gz ARKAWGNNEOCNQI-JTQLQIEISA-N 0 3 195.266 0.987 20 0 ACADHN Cc1cc(CN[C@]2(C)CCOC2)[nH]n1 306244399 1188796915 /nfs/dbraw/zinc/79/69/15/1188796915.db2.gz ARKAWGNNEOCNQI-SNVBAGLBSA-N 0 3 195.266 0.987 20 0 ACADHN CC(=O)CN1CC[C@@H](CO)[C@H]1C 306777986 1188801338 /nfs/dbraw/zinc/80/13/38/1188801338.db2.gz OCZGEBXFYRSGEA-BDAKNGLRSA-N 0 3 171.240 0.278 20 0 ACADHN CC(=O)CN1CC[C@@H](CO)[C@@H]1C 306777988 1188801787 /nfs/dbraw/zinc/80/17/87/1188801787.db2.gz OCZGEBXFYRSGEA-IUCAKERBSA-N 0 3 171.240 0.278 20 0 ACADHN CC(=O)CN1CC[C@H](CO)[C@H]1C 306778060 1188801884 /nfs/dbraw/zinc/80/18/84/1188801884.db2.gz OCZGEBXFYRSGEA-RKDXNWHRSA-N 0 3 171.240 0.278 20 0 ACADHN CC(=O)CN1CC[C@H](CO)[C@@H]1C 306777987 1188801944 /nfs/dbraw/zinc/80/19/44/1188801944.db2.gz OCZGEBXFYRSGEA-DTWKUNHWSA-N 0 3 171.240 0.278 20 0 ACADHN NC1(c2noc([C@H]3CCN3)n2)CCC1 307282626 1188807117 /nfs/dbraw/zinc/80/71/17/1188807117.db2.gz ISECFGMNQXISGY-ZCFIWIBFSA-N 0 3 194.238 0.442 20 0 ACADHN Cc1c(NC(=O)C2(N)CC2)cnn1C 307522956 1188807789 /nfs/dbraw/zinc/80/77/89/1188807789.db2.gz YICNHGRXJQKDRT-UHFFFAOYSA-N 0 3 194.238 0.158 20 0 ACADHN C[C@H](O)[C@H](C)N1CC[C@@](F)(CO)C1 307673904 1188808201 /nfs/dbraw/zinc/80/82/01/1188808201.db2.gz DGDYYMHVLCWXJJ-CIUDSAMLSA-N 0 3 191.246 0.162 20 0 ACADHN C[C@H](O)[C@@H](C)N1CC[C@](F)(CO)C1 307673906 1188808212 /nfs/dbraw/zinc/80/82/12/1188808212.db2.gz DGDYYMHVLCWXJJ-HRDYMLBCSA-N 0 3 191.246 0.162 20 0 ACADHN CN(C)C(=O)[C@H](N)CC(F)F 307677327 1188808516 /nfs/dbraw/zinc/80/85/16/1188808516.db2.gz LIXGAHOKGKWPDF-SCSAIBSYSA-N 0 3 166.171 0.057 20 0 ACADHN C[C@H](O)[C@@H](C)N1CC[C@@](F)(CO)C1 307673908 1188808595 /nfs/dbraw/zinc/80/85/95/1188808595.db2.gz DGDYYMHVLCWXJJ-VGMNWLOBSA-N 0 3 191.246 0.162 20 0 ACADHN C[C@H](O)[C@H](C)N1CC[C@](F)(CO)C1 307673910 1188808680 /nfs/dbraw/zinc/80/86/80/1188808680.db2.gz DGDYYMHVLCWXJJ-XHNCKOQMSA-N 0 3 191.246 0.162 20 0 ACADHN CC[C@@H](N)C(=O)NCCC(F)F 308152096 1188810846 /nfs/dbraw/zinc/81/08/46/1188810846.db2.gz NDESIJIJCOJGMT-RXMQYKEDSA-N 0 3 180.198 0.495 20 0 ACADHN COCC(C)(C)N(C)C(=O)[C@@H](C)N 308323487 1188811208 /nfs/dbraw/zinc/81/12/08/1188811208.db2.gz CZXZELXASPELCC-SSDOTTSWSA-N 0 3 188.271 0.217 20 0 ACADHN CC[C@@H](CNCc1c[nH]cn1)OC 308429509 1188812008 /nfs/dbraw/zinc/81/20/08/1188812008.db2.gz YXFKUUWBDISZTQ-VIFPVBQESA-N 0 3 183.255 0.924 20 0 ACADHN CC[C@H](CNCc1c[nH]cn1)OC 308429508 1188812123 /nfs/dbraw/zinc/81/21/23/1188812123.db2.gz YXFKUUWBDISZTQ-SECBINFHSA-N 0 3 183.255 0.924 20 0 ACADHN OCCCCN[C@H]1CCn2ccnc21 379085448 1188815459 /nfs/dbraw/zinc/81/54/59/1188815459.db2.gz ISILGSOXXPQROI-VIFPVBQESA-N 0 3 195.266 0.690 20 0 ACADHN OCCCCN[C@@H]1CCn2ccnc21 379085440 1188815497 /nfs/dbraw/zinc/81/54/97/1188815497.db2.gz ISILGSOXXPQROI-SECBINFHSA-N 0 3 195.266 0.690 20 0 ACADHN C[NH+](C)CCO[N-]C(=O)CC1CC1 382165358 1188819826 /nfs/dbraw/zinc/81/98/26/1188819826.db2.gz JJHMTFVUMRQGSZ-UHFFFAOYSA-N 0 3 186.255 0.396 20 0 ACADHN CN(C)C(=O)OCCN(C)C1CC1 393700791 1188821344 /nfs/dbraw/zinc/82/13/44/1188821344.db2.gz CIPBAKKLBNYTID-UHFFFAOYSA-N 0 3 186.255 0.779 20 0 ACADHN Cc1cc(CNCCN2CCC2)[nH]n1 393681453 1188821767 /nfs/dbraw/zinc/82/17/67/1188821767.db2.gz FOIZICNJJZJNMI-UHFFFAOYSA-N 0 3 194.282 0.513 20 0 ACADHN COCC1(NCc2cc(C)[nH]n2)CC1 393679756 1188821987 /nfs/dbraw/zinc/82/19/87/1188821987.db2.gz URVMBKGJZHKHAC-UHFFFAOYSA-N 0 3 195.266 0.987 20 0 ACADHN CNC(=O)CCCNCc1ncc[nH]1 393686603 1188822003 /nfs/dbraw/zinc/82/20/03/1188822003.db2.gz SMWAASZKQCMYTE-UHFFFAOYSA-N 0 3 196.254 0.026 20 0 ACADHN CCC[C@@H]1CCCN1C(=O)CN 396772888 1188822796 /nfs/dbraw/zinc/82/27/96/1188822796.db2.gz LBOUFVKSSXEWCZ-MRVPVSSYSA-N 0 3 170.256 0.736 20 0 ACADHN CCC[C@H]1CCCN1C(=O)CN 396772891 1188823062 /nfs/dbraw/zinc/82/30/62/1188823062.db2.gz LBOUFVKSSXEWCZ-QMMMGPOBSA-N 0 3 170.256 0.736 20 0 ACADHN COc1ccnc(CNC[C@@H](C)O)c1 1335460665 1188837412 /nfs/dbraw/zinc/83/74/12/1188837412.db2.gz QFABYZXZWOJACQ-MRVPVSSYSA-N 0 3 196.250 0.561 20 0 ACADHN Cc1cc(CN[C@H]2C[C@@H](CO)C2)[nH]n1 1335496681 1188838030 /nfs/dbraw/zinc/83/80/30/1188838030.db2.gz AEPZLWLGHCUWQV-DTORHVGOSA-N 0 3 195.266 0.579 20 0 ACADHN NCC(=O)N1CCC[C@H]1C(F)(F)F 1343562657 1188839787 /nfs/dbraw/zinc/83/97/87/1188839787.db2.gz FBZIYOSZZNFVIX-YFKPBYRVSA-N 0 3 196.172 0.498 20 0 ACADHN c1nc(CNC[C@@H]2CCCO2)c[nH]1 54763369 697622426 /nfs/dbraw/zinc/62/24/26/697622426.db2.gz XAVXXSRCRQKUSE-VIFPVBQESA-N 0 3 181.239 0.678 20 0 ACADHN CC[C@@H](CO)NCc1c[nH]cn1 54763819 697622674 /nfs/dbraw/zinc/62/26/74/697622674.db2.gz ONUYUYYGEGZDTI-ZETCQYMHSA-N 0 3 169.228 0.270 20 0 ACADHN CC[C@H](CO)NCc1c[nH]cn1 54763822 697622686 /nfs/dbraw/zinc/62/26/86/697622686.db2.gz ONUYUYYGEGZDTI-SSDOTTSWSA-N 0 3 169.228 0.270 20 0 ACADHN c1nc(CNC[C@H]2CCCO2)c[nH]1 54763372 697622733 /nfs/dbraw/zinc/62/27/33/697622733.db2.gz XAVXXSRCRQKUSE-SECBINFHSA-N 0 3 181.239 0.678 20 0 ACADHN COCCNCc1c[nH]cn1 54762868 697622776 /nfs/dbraw/zinc/62/27/76/697622776.db2.gz WEQGBWVXSVXWQN-UHFFFAOYSA-N 0 3 155.201 0.146 20 0 ACADHN COCCNCc1cnc[nH]1 54762868 697622780 /nfs/dbraw/zinc/62/27/80/697622780.db2.gz WEQGBWVXSVXWQN-UHFFFAOYSA-N 0 3 155.201 0.146 20 0 ACADHN Cc1cccc(C)c1CNC(=O)CN 83341790 697627768 /nfs/dbraw/zinc/62/77/68/697627768.db2.gz OYMDFOPCFNQOHM-UHFFFAOYSA-N 0 3 192.262 0.878 20 0 ACADHN COCCCNc1nc(C)cc(N)n1 106873341 697634422 /nfs/dbraw/zinc/63/44/22/697634422.db2.gz QNHBCGWTRQMXPJ-UHFFFAOYSA-N 0 3 196.254 0.816 20 0 ACADHN COC(=O)N(C)CCN(C)C 113889702 697636658 /nfs/dbraw/zinc/63/66/58/697636658.db2.gz HOXRPGFTHISLLP-UHFFFAOYSA-N 0 3 160.217 0.246 20 0 ACADHN COCC(C)(C)NCc1c[nH]cn1 122244685 697637757 /nfs/dbraw/zinc/63/77/57/697637757.db2.gz HZFAHAKAOGLUKJ-UHFFFAOYSA-N 0 3 183.255 0.924 20 0 ACADHN CCC[C@@H](O)CNCc1c[nH]cn1 123293332 697638777 /nfs/dbraw/zinc/63/87/77/697638777.db2.gz XBBWQVGCOCUFIF-SECBINFHSA-N 0 3 183.255 0.660 20 0 ACADHN CC[C@H](O)CCNCc1c[nH]cn1 131716214 697641892 /nfs/dbraw/zinc/64/18/92/697641892.db2.gz AAUJQFXWSSMXNA-VIFPVBQESA-N 0 3 183.255 0.660 20 0 ACADHN COC(C)(C)CNCc1c[nH]cn1 133029100 697642480 /nfs/dbraw/zinc/64/24/80/697642480.db2.gz HMINOWKSWSDIJR-UHFFFAOYSA-N 0 3 183.255 0.924 20 0 ACADHN CC(C)OCCNCc1c[nH]cn1 134121456 697643527 /nfs/dbraw/zinc/64/35/27/697643527.db2.gz NMCJLWPENSDYMN-UHFFFAOYSA-N 0 3 183.255 0.924 20 0 ACADHN CC(C)OCCNCc1cnc[nH]1 134121456 697643531 /nfs/dbraw/zinc/64/35/31/697643531.db2.gz NMCJLWPENSDYMN-UHFFFAOYSA-N 0 3 183.255 0.924 20 0 ACADHN COC(=O)NCCN1CCCC1 135863785 697644131 /nfs/dbraw/zinc/64/41/31/697644131.db2.gz VBTMKQSNJSJCFW-UHFFFAOYSA-N 0 3 172.228 0.438 20 0 ACADHN CCN(CC)CC[N+](=O)[O-] 140743109 697649214 /nfs/dbraw/zinc/64/92/14/697649214.db2.gz LPHSMBAFNXTBPI-UHFFFAOYSA-N 0 3 146.190 0.605 20 0 ACADHN CCN1C[C@@H]2C[C@H]1CN2C(C)=O 148118949 697654581 /nfs/dbraw/zinc/65/45/81/697654581.db2.gz XKWFKHUZRKPHDL-IUCAKERBSA-N 0 3 168.240 0.311 20 0 ACADHN OCC1(NCc2c[nH]cn2)CCC1 157499055 697658081 /nfs/dbraw/zinc/65/80/81/697658081.db2.gz UBTIVNISSVLZCE-UHFFFAOYSA-N 0 3 181.239 0.414 20 0 ACADHN OCC1(NCc2cnc[nH]2)CCC1 157499055 697658085 /nfs/dbraw/zinc/65/80/85/697658085.db2.gz UBTIVNISSVLZCE-UHFFFAOYSA-N 0 3 181.239 0.414 20 0 ACADHN C1CCN(CC2OCCO2)CC1 163049728 697668526 /nfs/dbraw/zinc/66/85/26/697668526.db2.gz QAKTXXJXOAONHH-UHFFFAOYSA-N 0 3 171.240 0.845 20 0 ACADHN C[C@@H]1C[C@H]1CNCc1nncn1C 166977520 697674866 /nfs/dbraw/zinc/67/48/66/697674866.db2.gz HIPMCUGHCYDBRC-SFYZADRCSA-N 0 3 180.255 0.561 20 0 ACADHN CCO[N-]C(=O)[C@H](C)[C@H](C)[NH3+] 165505079 697670145 /nfs/dbraw/zinc/67/01/45/697670145.db2.gz FBMCDKCIHWAOQH-RITPCOANSA-N 0 3 160.217 0.037 20 0 ACADHN C[C@H]1C[C@@H]1CNCc1nncn1C 166977417 697674585 /nfs/dbraw/zinc/67/45/85/697674585.db2.gz HIPMCUGHCYDBRC-JGVFFNPUSA-N 0 3 180.255 0.561 20 0 ACADHN C[C@@H]1C[C@@H]1CNCc1nncn1C 166977313 697674716 /nfs/dbraw/zinc/67/47/16/697674716.db2.gz HIPMCUGHCYDBRC-HTQZYQBOSA-N 0 3 180.255 0.561 20 0 ACADHN C[C@H]1C[C@H]1CNCc1nncn1C 166977637 697674729 /nfs/dbraw/zinc/67/47/29/697674729.db2.gz HIPMCUGHCYDBRC-YUMQZZPRSA-N 0 3 180.255 0.561 20 0 ACADHN COCC[C@H](C)n1cc([C@@H](C)N)nn1 167143243 697675333 /nfs/dbraw/zinc/67/53/33/697675333.db2.gz IREYQEZTULPTJH-JGVFFNPUSA-N 0 3 198.270 0.895 20 0 ACADHN COCCCn1cc([C@@H](C)N)nn1 167140175 697675342 /nfs/dbraw/zinc/67/53/42/697675342.db2.gz JBYCZVOBDJUWSK-SSDOTTSWSA-N 0 3 184.243 0.334 20 0 ACADHN COCC[C@@H](C)n1cc([C@@H](C)N)nn1 167143355 697675357 /nfs/dbraw/zinc/67/53/57/697675357.db2.gz IREYQEZTULPTJH-HTQZYQBOSA-N 0 3 198.270 0.895 20 0 ACADHN C[C@@H](N)c1cn(-c2cnn(C)c2)nn1 167090807 697675502 /nfs/dbraw/zinc/67/55/02/697675502.db2.gz YCCOERIELVIDFN-ZCFIWIBFSA-N 0 3 192.226 0.021 20 0 ACADHN COC[C@H](C)n1cc([C@H](C)N)nn1 167138994 697675511 /nfs/dbraw/zinc/67/55/11/697675511.db2.gz MLVKQHSECCZZDS-BQBZGAKWSA-N 0 3 184.243 0.505 20 0 ACADHN COCC[C@@H](C)n1cc([C@H](C)N)nn1 167143560 697675454 /nfs/dbraw/zinc/67/54/54/697675454.db2.gz IREYQEZTULPTJH-SFYZADRCSA-N 0 3 198.270 0.895 20 0 ACADHN COC[C@H](C)n1cc([C@@H](C)N)nn1 167138776 697675609 /nfs/dbraw/zinc/67/56/09/697675609.db2.gz MLVKQHSECCZZDS-NKWVEPMBSA-N 0 3 184.243 0.505 20 0 ACADHN COC[C@@H](C)n1cc([C@H](C)N)nn1 167139091 697675621 /nfs/dbraw/zinc/67/56/21/697675621.db2.gz MLVKQHSECCZZDS-RQJHMYQMSA-N 0 3 184.243 0.505 20 0 ACADHN COCC[C@H](C)n1cc([C@H](C)N)nn1 167143451 697675669 /nfs/dbraw/zinc/67/56/69/697675669.db2.gz IREYQEZTULPTJH-YUMQZZPRSA-N 0 3 198.270 0.895 20 0 ACADHN COC[C@@H](C)n1cc([C@@H](C)N)nn1 167138891 697675684 /nfs/dbraw/zinc/67/56/84/697675684.db2.gz MLVKQHSECCZZDS-RNFRBKRXSA-N 0 3 184.243 0.505 20 0 ACADHN CC(C)OCCn1cc([C@@H](C)N)nn1 167145226 697676030 /nfs/dbraw/zinc/67/60/30/697676030.db2.gz ZBGDGONCHIAYGQ-MRVPVSSYSA-N 0 3 198.270 0.723 20 0 ACADHN CCOCCCn1cc([C@H](C)N)nn1 167148744 697676140 /nfs/dbraw/zinc/67/61/40/697676140.db2.gz GGOBPMMCZPQBJS-QMMMGPOBSA-N 0 3 198.270 0.724 20 0 ACADHN CCOCCCn1cc([C@@H](C)N)nn1 167148640 697676328 /nfs/dbraw/zinc/67/63/28/697676328.db2.gz GGOBPMMCZPQBJS-MRVPVSSYSA-N 0 3 198.270 0.724 20 0 ACADHN CN(CCF)CC1(O)CCOCC1 167212737 697676364 /nfs/dbraw/zinc/67/63/64/697676364.db2.gz RJSBLJYZRYCJSH-UHFFFAOYSA-N 0 3 191.246 0.429 20 0 ACADHN CC(C)OCCn1cc([C@H](C)N)nn1 167145330 697676293 /nfs/dbraw/zinc/67/62/93/697676293.db2.gz ZBGDGONCHIAYGQ-QMMMGPOBSA-N 0 3 198.270 0.723 20 0 ACADHN CONC(=O)c1ccc2c(c1)CNC2 169153445 697678141 /nfs/dbraw/zinc/67/81/41/697678141.db2.gz GVCBWMLJQJDKEQ-UHFFFAOYSA-N 0 3 192.218 0.581 20 0 ACADHN NC(=O)[C@@H](N)C[C@H]1CC=CCC1 215301105 697683714 /nfs/dbraw/zinc/68/37/14/697683714.db2.gz JJLRGQPKMBYQJG-YUMQZZPRSA-N 0 3 168.240 0.545 20 0 ACADHN C[C@@H](NCCN(C)C)c1ncc[nH]1 222071631 697686722 /nfs/dbraw/zinc/68/67/22/697686722.db2.gz NBYPSJCBFMWZEE-MRVPVSSYSA-N 0 3 182.271 0.622 20 0 ACADHN CO[C@@H](C)CNCc1c[nH]cn1 223936746 697687612 /nfs/dbraw/zinc/68/76/12/697687612.db2.gz CHHHJWHDIGPNLC-ZETCQYMHSA-N 0 3 169.228 0.534 20 0 ACADHN CO[C@@H](C)CNCc1cnc[nH]1 223936746 697687615 /nfs/dbraw/zinc/68/76/15/697687615.db2.gz CHHHJWHDIGPNLC-ZETCQYMHSA-N 0 3 169.228 0.534 20 0 ACADHN CO[C@H](C)CNCc1c[nH]cn1 223936803 697687946 /nfs/dbraw/zinc/68/79/46/697687946.db2.gz CHHHJWHDIGPNLC-SSDOTTSWSA-N 0 3 169.228 0.534 20 0 ACADHN CO[C@H](C)CNCc1cnc[nH]1 223936803 697687948 /nfs/dbraw/zinc/68/79/48/697687948.db2.gz CHHHJWHDIGPNLC-SSDOTTSWSA-N 0 3 169.228 0.534 20 0 ACADHN CS[C@@H]1CC[C@H](NC(=O)CN)C1 225531514 697690701 /nfs/dbraw/zinc/69/07/01/697690701.db2.gz GOAHVJXNPDOJJR-NKWVEPMBSA-N 0 3 188.296 0.345 20 0 ACADHN CS[C@@H]1CC[C@@H](NC(=O)CN)C1 225531451 697690710 /nfs/dbraw/zinc/69/07/10/697690710.db2.gz GOAHVJXNPDOJJR-RNFRBKRXSA-N 0 3 188.296 0.345 20 0 ACADHN CCN(C)[C@@H]1CCCCNC1=O 225712631 697690943 /nfs/dbraw/zinc/69/09/43/697690943.db2.gz ZUGQRFRBLFLIQT-MRVPVSSYSA-N 0 3 170.256 0.607 20 0 ACADHN CS[C@H]1CC[C@@H](NC(=O)CN)C1 225531480 697691088 /nfs/dbraw/zinc/69/10/88/697691088.db2.gz GOAHVJXNPDOJJR-RQJHMYQMSA-N 0 3 188.296 0.345 20 0 ACADHN COC(=O)NC[C@H]1CCCN1C 226518970 697692750 /nfs/dbraw/zinc/69/27/50/697692750.db2.gz CCOKHXCLDIHJEJ-SSDOTTSWSA-N 0 3 172.228 0.437 20 0 ACADHN CO[C@@H](CN)c1nc(CC2CC2)no1 227300232 697695496 /nfs/dbraw/zinc/69/54/96/697695496.db2.gz KSGACOYDTKAPKF-ZETCQYMHSA-N 0 3 197.238 0.668 20 0 ACADHN CO[C@@H](CN)c1nc([C@@H]2C[C@@H]2C)no1 227299607 697695533 /nfs/dbraw/zinc/69/55/33/697695533.db2.gz NYXYLFZAWNVQGV-XVMARJQXSA-N 0 3 197.238 0.839 20 0 ACADHN CO[C@@H](CN)C(=O)NCCC(C)C 227343385 697695567 /nfs/dbraw/zinc/69/55/67/697695567.db2.gz SKRHIKBHWBPSIO-QMMMGPOBSA-N 0 3 188.271 0.122 20 0 ACADHN CCC[C@H](C)NC(=O)[C@H](CN)OC 227342280 697695577 /nfs/dbraw/zinc/69/55/77/697695577.db2.gz SPZINGKQIQHKRG-YUMQZZPRSA-N 0 3 188.271 0.265 20 0 ACADHN CO[C@@H](CN)C(=O)Nc1ccccc1 227341438 697695597 /nfs/dbraw/zinc/69/55/97/697695597.db2.gz PDLKSSYZYMPZCN-VIFPVBQESA-N 0 3 194.234 0.599 20 0 ACADHN CCC(C)(C)NC(=O)[C@H](CN)OC 227341476 697695622 /nfs/dbraw/zinc/69/56/22/697695622.db2.gz HGRSBBLCSZIVSJ-ZETCQYMHSA-N 0 3 188.271 0.265 20 0 ACADHN CCCCCNC(=O)[C@H](CN)OC 227343032 697695639 /nfs/dbraw/zinc/69/56/39/697695639.db2.gz GFPHGGZVYRQDPC-QMMMGPOBSA-N 0 3 188.271 0.267 20 0 ACADHN CO[C@@H](CN)c1nc(C2CC2)no1 227297513 697695663 /nfs/dbraw/zinc/69/56/63/697695663.db2.gz XQWXAVQAXIOQRB-LURJTMIESA-N 0 3 183.211 0.593 20 0 ACADHN CO[C@@H](CN)c1nc(CC(C)C)no1 227297374 697695677 /nfs/dbraw/zinc/69/56/77/697695677.db2.gz CLYBCXKSCRWJAF-ZETCQYMHSA-N 0 3 199.254 0.914 20 0 ACADHN CO[C@@H](CN)C(=O)NC1CCCC1 227341702 697695716 /nfs/dbraw/zinc/69/57/16/697695716.db2.gz HXYWSQYLHINFRE-QMMMGPOBSA-N 0 3 186.255 0.019 20 0 ACADHN CO[C@@H](CN)c1nc(C(C)C)no1 227297412 697695783 /nfs/dbraw/zinc/69/57/83/697695783.db2.gz IYCWZHZBDZLEQG-LURJTMIESA-N 0 3 185.227 0.839 20 0 ACADHN CO[C@@H](CN)c1nc([C@H]2C[C@@H]2C)no1 227299619 697695866 /nfs/dbraw/zinc/69/58/66/697695866.db2.gz NYXYLFZAWNVQGV-ACZMJKKPSA-N 0 3 197.238 0.839 20 0 ACADHN CCC[C@@H](C)NC(=O)[C@H](CN)OC 227342274 697695926 /nfs/dbraw/zinc/69/59/26/697695926.db2.gz SPZINGKQIQHKRG-SFYZADRCSA-N 0 3 188.271 0.265 20 0 ACADHN CCCCN(C)C(=O)[C@H](CN)OC 227343981 697695966 /nfs/dbraw/zinc/69/59/66/697695966.db2.gz OHXCQPBJLIQCEJ-QMMMGPOBSA-N 0 3 188.271 0.219 20 0 ACADHN CO[C@@H](CN)C(=O)N(C)CC(C)C 227348038 697696325 /nfs/dbraw/zinc/69/63/25/697696325.db2.gz HAHZFPPIKYGMNM-QMMMGPOBSA-N 0 3 188.271 0.075 20 0 ACADHN CCCN(CC)C(=O)[C@H](CN)OC 227347971 697696403 /nfs/dbraw/zinc/69/64/03/697696403.db2.gz JKKFYIBDMIMIFY-QMMMGPOBSA-N 0 3 188.271 0.219 20 0 ACADHN CCN(C(=O)[C@H](CN)OC)C(C)C 227347918 697696451 /nfs/dbraw/zinc/69/64/51/697696451.db2.gz BXFTTWFAMRAQRG-QMMMGPOBSA-N 0 3 188.271 0.217 20 0 ACADHN CN(C)CCSc1nccnc1N 227562465 697697535 /nfs/dbraw/zinc/69/75/35/697697535.db2.gz STKRWBJFARWQCC-UHFFFAOYSA-N 0 3 198.295 0.713 20 0 ACADHN CC[C@@H](CO)N(C)CCF 306489078 697728774 /nfs/dbraw/zinc/72/87/74/697728774.db2.gz STDMFCMUVAKQOM-ZETCQYMHSA-N 0 3 149.209 0.659 20 0 ACADHN CC[C@H](CO)N(C)CCF 306489077 697728967 /nfs/dbraw/zinc/72/89/67/697728967.db2.gz STDMFCMUVAKQOM-SSDOTTSWSA-N 0 3 149.209 0.659 20 0 ACADHN Cc1ccc(N)cc1NC(=O)[C@H](C)N 307320590 697742194 /nfs/dbraw/zinc/74/21/94/697742194.db2.gz PBHCCNUJHVFLNP-ZETCQYMHSA-N 0 3 193.250 0.863 20 0 ACADHN CN(C)C1CN(c2cc(F)ncn2)C1 307408668 697743871 /nfs/dbraw/zinc/74/38/71/697743871.db2.gz DEHFUPNRTDZTSM-UHFFFAOYSA-N 0 3 196.229 0.366 20 0 ACADHN CNCC(=O)Nc1cc(N)ccc1C 307529614 697746356 /nfs/dbraw/zinc/74/63/56/697746356.db2.gz UQUYHRHFQSAUAZ-UHFFFAOYSA-N 0 3 193.250 0.735 20 0 ACADHN CC1(CNCc2cc[nH]c2)OCCO1 307681703 697749199 /nfs/dbraw/zinc/74/91/99/697749199.db2.gz YJAGKIKGYIHLAK-UHFFFAOYSA-N 0 3 196.250 0.867 20 0 ACADHN CN(CCF)C[C@@H]1CCOC1 307689519 697750354 /nfs/dbraw/zinc/75/03/54/697750354.db2.gz NHYOHGFLSFIFDT-QMMMGPOBSA-N 0 3 161.220 0.924 20 0 ACADHN CCCN(C)C(=O)[C@@H](N)CC1CC1 308204883 697760325 /nfs/dbraw/zinc/76/03/25/697760325.db2.gz XZRXACIZIGRKMR-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN CCCN(C)C(=O)[C@H](N)CC1CC1 308204882 697760390 /nfs/dbraw/zinc/76/03/90/697760390.db2.gz XZRXACIZIGRKMR-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN CCN(CC(=O)NC)CC1(C)CC1 308287256 697765533 /nfs/dbraw/zinc/76/55/33/697765533.db2.gz CJXUVYOQJZZYOQ-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CC[C@@H](CCO)NCc1cn(C)cn1 308593397 697774717 /nfs/dbraw/zinc/77/47/17/697774717.db2.gz WXSWHLBBVXBQPF-VIFPVBQESA-N 0 3 197.282 0.671 20 0 ACADHN NCC(=O)NCCNc1ccccc1 309535127 697776460 /nfs/dbraw/zinc/77/64/60/697776460.db2.gz FDGSURXBNVXMRE-UHFFFAOYSA-N 0 3 193.250 0.173 20 0 ACADHN CC(C)[C@H](N)C(=O)N(C)c1cn[nH]c1 309643742 697776476 /nfs/dbraw/zinc/77/64/76/697776476.db2.gz VJVTYXULVLXJDQ-QMMMGPOBSA-N 0 3 196.254 0.356 20 0 ACADHN C=Cn1cc(CN[C@@H]2CC[C@H]2O)cn1 378701864 697784295 /nfs/dbraw/zinc/78/42/95/697784295.db2.gz NTYQZQASKCDBJR-NXEZZACHSA-N 0 3 193.250 0.597 20 0 ACADHN Cc1nocc1CN[C@H](CO)C1CC1 378864425 697792116 /nfs/dbraw/zinc/79/21/16/697792116.db2.gz XIIUWPTXEBDXDU-SNVBAGLBSA-N 0 3 196.250 0.844 20 0 ACADHN Cc1nocc1CN[C@@H](CO)C1CC1 378864424 697792450 /nfs/dbraw/zinc/79/24/50/697792450.db2.gz XIIUWPTXEBDXDU-JTQLQIEISA-N 0 3 196.250 0.844 20 0 ACADHN NC(=O)CCNC/C=C\Cl 378973183 697796291 /nfs/dbraw/zinc/79/62/91/697796291.db2.gz RAGFEWUBMJITPY-IWQZZHSRSA-N 0 3 162.620 0.204 20 0 ACADHN CC(C)=CC(=O)NOCCN(C)C 379013502 697796839 /nfs/dbraw/zinc/79/68/39/697796839.db2.gz PIMWAMSZZBWIET-UHFFFAOYSA-N 0 3 186.255 0.562 20 0 ACADHN C/C=C/C(=O)NOCCN(C)C 379018237 697797021 /nfs/dbraw/zinc/79/70/21/697797021.db2.gz RJRBJEPPUSIREF-SNAWJCMRSA-N 0 3 172.228 0.172 20 0 ACADHN C/C=C\C(=O)NOCCN(C)C 379018236 697797058 /nfs/dbraw/zinc/79/70/58/697797058.db2.gz RJRBJEPPUSIREF-PLNGDYQASA-N 0 3 172.228 0.172 20 0 ACADHN CC(C)CC(=O)[N-]OCC[NH+](C)C 379080090 697797556 /nfs/dbraw/zinc/79/75/56/697797556.db2.gz GCFFHBWBJRSQBM-UHFFFAOYSA-N 0 3 188.271 0.642 20 0 ACADHN CN(C)CCONC(=O)C1CC1 379095766 697797668 /nfs/dbraw/zinc/79/76/68/697797668.db2.gz MXYQXRZQHDXICN-UHFFFAOYSA-N 0 3 172.228 0.006 20 0 ACADHN CN(C)CCONC(=O)c1ccco1 379121541 697798133 /nfs/dbraw/zinc/79/81/33/697798133.db2.gz WMBMLQGJULKMAF-UHFFFAOYSA-N 0 3 198.222 0.503 20 0 ACADHN CN(C)CCONC(=O)C1(C)CC1 379105985 697798345 /nfs/dbraw/zinc/79/83/45/697798345.db2.gz QJVOCNFFZBTFLL-UHFFFAOYSA-N 0 3 186.255 0.396 20 0 ACADHN CN(C)CCONC(=O)C(C)(C)C 379111810 697798377 /nfs/dbraw/zinc/79/83/77/697798377.db2.gz SGRISKYQSXSEHH-UHFFFAOYSA-N 0 3 188.271 0.642 20 0 ACADHN CCCCN(C)CC[N+](=O)[O-] 379200797 697799659 /nfs/dbraw/zinc/79/96/59/697799659.db2.gz YODARLFTQQNXGU-UHFFFAOYSA-N 0 3 160.217 0.995 20 0 ACADHN CC[C@H](C)N(C)CCS(N)(=O)=O 379312281 697806496 /nfs/dbraw/zinc/80/64/96/697806496.db2.gz YCHBQKHXEJCDEG-ZETCQYMHSA-N 0 3 194.300 0.005 20 0 ACADHN CC[C@@H](C)N(C)CCS(N)(=O)=O 379312280 697806566 /nfs/dbraw/zinc/80/65/66/697806566.db2.gz YCHBQKHXEJCDEG-SSDOTTSWSA-N 0 3 194.300 0.005 20 0 ACADHN OCCNCc1ccc(F)nc1 379329044 697822494 /nfs/dbraw/zinc/82/24/94/697822494.db2.gz SEZZXAWYGLSBAH-UHFFFAOYSA-N 0 3 170.187 0.303 20 0 ACADHN CNC(=O)CCCN(C)CCF 379332998 697826867 /nfs/dbraw/zinc/82/68/67/697826867.db2.gz IVVOARBXJVRGET-UHFFFAOYSA-N 0 3 176.235 0.414 20 0 ACADHN CCCNC(=O)[C@@H](N)CC1CC1 379336143 697829530 /nfs/dbraw/zinc/82/95/30/697829530.db2.gz ZMDOYDUNELDTEB-QMMMGPOBSA-N 0 3 170.256 0.640 20 0 ACADHN CN(CCCC1CC1)CC(N)=O 379337254 697830753 /nfs/dbraw/zinc/83/07/53/697830753.db2.gz WCWLEJHYHREDNZ-UHFFFAOYSA-N 0 3 170.256 0.594 20 0 ACADHN CC(C)[C@H](C)NCc1cnn(C)n1 379345934 697833488 /nfs/dbraw/zinc/83/34/88/697833488.db2.gz DMEQOBCKDRBAQQ-QMMMGPOBSA-N 0 3 182.271 0.949 20 0 ACADHN CC(C)[C@@H](C)NCc1cnn(C)n1 379345933 697833453 /nfs/dbraw/zinc/83/34/53/697833453.db2.gz DMEQOBCKDRBAQQ-MRVPVSSYSA-N 0 3 182.271 0.949 20 0 ACADHN Cn1ncc(CNCC2CCC2)n1 379349709 697833931 /nfs/dbraw/zinc/83/39/31/697833931.db2.gz QARYOWDTKBSJKM-UHFFFAOYSA-N 0 3 180.255 0.705 20 0 ACADHN N[C@@H](CC1CC1)C(=O)NCC1CC1 379352805 697834878 /nfs/dbraw/zinc/83/48/78/697834878.db2.gz CTAAFGHNGBBVTC-VIFPVBQESA-N 0 3 182.267 0.640 20 0 ACADHN N[C@H](CC1CC1)C(=O)NCC1CC1 379352804 697835102 /nfs/dbraw/zinc/83/51/02/697835102.db2.gz CTAAFGHNGBBVTC-SECBINFHSA-N 0 3 182.267 0.640 20 0 ACADHN CCN(CC)C(=O)[C@H](N)CC1CC1 379374752 697850409 /nfs/dbraw/zinc/85/04/09/697850409.db2.gz ZPOLAWIWLZSMTB-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN OC[C@@H](NCc1c[nH]cn1)C1CC1 379378032 697853746 /nfs/dbraw/zinc/85/37/46/697853746.db2.gz ZUMKCMHZSPAGCB-SECBINFHSA-N 0 3 181.239 0.270 20 0 ACADHN OC[C@H](NCc1c[nH]cn1)C1CC1 379378033 697853958 /nfs/dbraw/zinc/85/39/58/697853958.db2.gz ZUMKCMHZSPAGCB-VIFPVBQESA-N 0 3 181.239 0.270 20 0 ACADHN C[C@H](NCCCCO)c1ncc[nH]1 379385567 697861273 /nfs/dbraw/zinc/86/12/73/697861273.db2.gz UHMBTSIBHGWLRD-QMMMGPOBSA-N 0 3 183.255 0.833 20 0 ACADHN C[C@@H](NCCCCO)c1ncc[nH]1 379385566 697861326 /nfs/dbraw/zinc/86/13/26/697861326.db2.gz UHMBTSIBHGWLRD-MRVPVSSYSA-N 0 3 183.255 0.833 20 0 ACADHN COC(CN(C)C1CC(O)C1)OC 379390509 697866231 /nfs/dbraw/zinc/86/62/31/697866231.db2.gz OCZQMMNXBKFYFO-UHFFFAOYSA-N 0 3 189.255 0.060 20 0 ACADHN CN(C)CCSc1cccc[n+]1[O-] 379397169 697872029 /nfs/dbraw/zinc/87/20/29/697872029.db2.gz DLBULMJUILQGCK-UHFFFAOYSA-N 0 3 198.291 0.974 20 0 ACADHN CCN(CC(=O)N1CCC1)C(C)C 379399097 697873963 /nfs/dbraw/zinc/87/39/63/697873963.db2.gz GLWDTHPDGNQJCY-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN COCCN(C)CCC(=O)C1CC1 379401981 697876497 /nfs/dbraw/zinc/87/64/97/697876497.db2.gz LYXLTNYPCAQSGH-UHFFFAOYSA-N 0 3 185.267 0.934 20 0 ACADHN COCCNCc1ccc(F)nc1 379411887 697887287 /nfs/dbraw/zinc/88/72/87/697887287.db2.gz JBNIOKLMEOYOGR-UHFFFAOYSA-N 0 3 184.214 0.957 20 0 ACADHN CCCNC(=O)C1(N(C)C)CCC1 379412001 697887741 /nfs/dbraw/zinc/88/77/41/697887741.db2.gz JJVSCBUFAFBJDX-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN C[C@H]1CCN(C(=O)[C@H](N)CC2CC2)C1 379488695 697896258 /nfs/dbraw/zinc/89/62/58/697896258.db2.gz MKANEOSGJBGZBU-WCBMZHEXSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@H]1CCN(C(=O)[C@@H](N)CC2CC2)C1 379488697 697896324 /nfs/dbraw/zinc/89/63/24/697896324.db2.gz MKANEOSGJBGZBU-WPRPVWTQSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@@H]1CCN(C(=O)[C@H](N)CC2CC2)C1 379488686 697896495 /nfs/dbraw/zinc/89/64/95/697896495.db2.gz MKANEOSGJBGZBU-PSASIEDQSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@@H]1CCN(C(=O)[C@@H](N)CC2CC2)C1 379488693 697896675 /nfs/dbraw/zinc/89/66/75/697896675.db2.gz MKANEOSGJBGZBU-SCZZXKLOSA-N 0 3 196.294 0.982 20 0 ACADHN Cc1c[nH]nc1CN[C@H](CO)C1CC1 379577137 697900743 /nfs/dbraw/zinc/90/07/43/697900743.db2.gz QBFWSLPYUBEORJ-SNVBAGLBSA-N 0 3 195.266 0.579 20 0 ACADHN N[C@@H](CC1CC1)C(=O)N1C[C@H]2C[C@H]2C1 379541908 697898883 /nfs/dbraw/zinc/89/88/83/697898883.db2.gz QPQHXXCBBWWZLA-AEJSXWLSSA-N 0 3 194.278 0.592 20 0 ACADHN N[C@H](CC1CC1)C(=O)N1C[C@H]2C[C@H]2C1 379541912 697898948 /nfs/dbraw/zinc/89/89/48/697898948.db2.gz QPQHXXCBBWWZLA-KXUCPTDWSA-N 0 3 194.278 0.592 20 0 ACADHN C1=C(CNCc2c[nH]cn2)COCC1 379556804 697899216 /nfs/dbraw/zinc/89/92/16/697899216.db2.gz AOAXLRVOFDDLFI-UHFFFAOYSA-N 0 3 193.250 0.846 20 0 ACADHN C1=C(CNCc2cnc[nH]2)COCC1 379556804 697899217 /nfs/dbraw/zinc/89/92/17/697899217.db2.gz AOAXLRVOFDDLFI-UHFFFAOYSA-N 0 3 193.250 0.846 20 0 ACADHN CCNCC(=O)N(C)c1nccs1 379576028 697900762 /nfs/dbraw/zinc/90/07/62/697900762.db2.gz NCARKDBELKEWMI-UHFFFAOYSA-N 0 3 199.279 0.715 20 0 ACADHN Cc1c[nH]nc1CN[C@@H](CO)C1CC1 379577136 697900866 /nfs/dbraw/zinc/90/08/66/697900866.db2.gz QBFWSLPYUBEORJ-JTQLQIEISA-N 0 3 195.266 0.579 20 0 ACADHN C[C@H](O)CCCNCc1cn(C)cn1 379577582 697901560 /nfs/dbraw/zinc/90/15/60/697901560.db2.gz RGEJLPJZBZLJAK-VIFPVBQESA-N 0 3 197.282 0.671 20 0 ACADHN C[C@@H](O)CCCNCc1cn(C)cn1 379577579 697901579 /nfs/dbraw/zinc/90/15/79/697901579.db2.gz RGEJLPJZBZLJAK-SECBINFHSA-N 0 3 197.282 0.671 20 0 ACADHN Cn1cnc(CNCCCCCO)c1 379647845 697907703 /nfs/dbraw/zinc/90/77/03/697907703.db2.gz BAKPXSZCNSVXED-UHFFFAOYSA-N 0 3 197.282 0.672 20 0 ACADHN C[C@@H](C[C@@H](C)O)NCc1cn(C)cn1 379653683 697908266 /nfs/dbraw/zinc/90/82/66/697908266.db2.gz IIDCCMGSJIRSKJ-DTWKUNHWSA-N 0 3 197.282 0.669 20 0 ACADHN C[C@H](O)C[C@H](C)NCc1cn(C)cn1 379653684 697908313 /nfs/dbraw/zinc/90/83/13/697908313.db2.gz IIDCCMGSJIRSKJ-IUCAKERBSA-N 0 3 197.282 0.669 20 0 ACADHN C[C@H](O)C[C@@H](C)NCc1cn(C)cn1 379653682 697908478 /nfs/dbraw/zinc/90/84/78/697908478.db2.gz IIDCCMGSJIRSKJ-BDAKNGLRSA-N 0 3 197.282 0.669 20 0 ACADHN C[C@@H](O)C[C@@H](C)NCc1cn(C)cn1 379653685 697908503 /nfs/dbraw/zinc/90/85/03/697908503.db2.gz IIDCCMGSJIRSKJ-RKDXNWHRSA-N 0 3 197.282 0.669 20 0 ACADHN Cc1cc([C@@H](C)N[C@H](C)CO)n(C)n1 379658588 697908925 /nfs/dbraw/zinc/90/89/25/697908925.db2.gz NPUIXHYFIJVPLI-RKDXNWHRSA-N 0 3 197.282 0.760 20 0 ACADHN Cc1cc([C@H](C)N[C@H](C)CO)n(C)n1 379658587 697909035 /nfs/dbraw/zinc/90/90/35/697909035.db2.gz NPUIXHYFIJVPLI-BDAKNGLRSA-N 0 3 197.282 0.760 20 0 ACADHN Cc1cc(CNC[C@@H](O)CO)c(C)o1 379667673 697909471 /nfs/dbraw/zinc/90/94/71/697909471.db2.gz YXAJRFYAJKNMGQ-SNVBAGLBSA-N 0 3 199.250 0.339 20 0 ACADHN COC[C@H](C)CNCc1cn(C)cn1 379667916 697909491 /nfs/dbraw/zinc/90/94/91/697909491.db2.gz ZFCZSRSSOFSXNE-SECBINFHSA-N 0 3 197.282 0.792 20 0 ACADHN CCO[N-]C(=O)CC[C@@H]1CCC[NH2+]1 379667944 697909494 /nfs/dbraw/zinc/90/94/94/697909494.db2.gz ZHZZPNQSQZPHFE-QMMMGPOBSA-N 0 3 186.255 0.586 20 0 ACADHN Cc1cc(CNC[C@H](O)CO)c(C)o1 379667672 697909504 /nfs/dbraw/zinc/90/95/04/697909504.db2.gz YXAJRFYAJKNMGQ-JTQLQIEISA-N 0 3 199.250 0.339 20 0 ACADHN COC[C@@H](C)CNCc1cn(C)cn1 379667917 697909513 /nfs/dbraw/zinc/90/95/13/697909513.db2.gz ZFCZSRSSOFSXNE-VIFPVBQESA-N 0 3 197.282 0.792 20 0 ACADHN CC[C@H](N)C(=O)N(C)c1cn[nH]c1 380102439 697910922 /nfs/dbraw/zinc/91/09/22/697910922.db2.gz PYKPAJNTSDXSFP-ZETCQYMHSA-N 0 3 182.227 0.110 20 0 ACADHN CCNCc1nc([C@H]2CCCN2)no1 380290095 697911108 /nfs/dbraw/zinc/91/11/08/697911108.db2.gz BIQZATJILIAWMK-SSDOTTSWSA-N 0 3 196.254 0.604 20 0 ACADHN CC[C@@H](N)C(=O)N(C)c1cn[nH]c1 380254542 697911463 /nfs/dbraw/zinc/91/14/63/697911463.db2.gz PYKPAJNTSDXSFP-SSDOTTSWSA-N 0 3 182.227 0.110 20 0 ACADHN CCNCc1nc([C@@H]2CCCN2)no1 380290103 697911528 /nfs/dbraw/zinc/91/15/28/697911528.db2.gz BIQZATJILIAWMK-ZETCQYMHSA-N 0 3 196.254 0.604 20 0 ACADHN CC(C)[C@@H](N)C(=O)N(C)c1cn[nH]c1 381523154 697912978 /nfs/dbraw/zinc/91/29/78/697912978.db2.gz VJVTYXULVLXJDQ-MRVPVSSYSA-N 0 3 196.254 0.356 20 0 ACADHN CCC(=O)CCN(C)C1CC(O)C1 381873296 697915802 /nfs/dbraw/zinc/91/58/02/697915802.db2.gz ZLJJRUNKDOZNGU-UHFFFAOYSA-N 0 3 185.267 0.811 20 0 ACADHN CCn1nccc1CN[C@@H]1CC[C@H]1O 382020162 697917705 /nfs/dbraw/zinc/91/77/05/697917705.db2.gz PUIKMUGLZRTRHH-NXEZZACHSA-N 0 3 195.266 0.516 20 0 ACADHN CO[C@@H](CN)C(=O)N(C)C(C)(C)C 382116752 697919082 /nfs/dbraw/zinc/91/90/82/697919082.db2.gz LWVWCAPJDBLLPW-ZETCQYMHSA-N 0 3 188.271 0.217 20 0 ACADHN CN(C)CCONC(=O)c1ccc[nH]1 382145638 697919330 /nfs/dbraw/zinc/91/93/30/697919330.db2.gz BXWOEFJSAIKYLX-UHFFFAOYSA-N 0 3 197.238 0.238 20 0 ACADHN CO[C@H](CNCc1c[nH]cn1)C1CC1 382164644 697919725 /nfs/dbraw/zinc/91/97/25/697919725.db2.gz UNLFHBDJOIXDPF-SNVBAGLBSA-N 0 3 195.266 0.924 20 0 ACADHN CN(C)CCONC(=O)C1CCC1 382163661 697919851 /nfs/dbraw/zinc/91/98/51/697919851.db2.gz IXBUERCWBQGXPE-UHFFFAOYSA-N 0 3 186.255 0.396 20 0 ACADHN CO[C@@H](CNCc1c[nH]cn1)C1CC1 382164642 697919971 /nfs/dbraw/zinc/91/99/71/697919971.db2.gz UNLFHBDJOIXDPF-JTQLQIEISA-N 0 3 195.266 0.924 20 0 ACADHN CCn1cc(CN[C@@H]2CC[C@H]2O)cn1 382179319 697920719 /nfs/dbraw/zinc/92/07/19/697920719.db2.gz YYZDTPXJAKEKGI-NXEZZACHSA-N 0 3 195.266 0.516 20 0 ACADHN CCCCC(=O)[N-]OCC[NH+](C)C 382213550 697921356 /nfs/dbraw/zinc/92/13/56/697921356.db2.gz WUFHUGYIVVZMIS-UHFFFAOYSA-N 0 3 188.271 0.786 20 0 ACADHN OC[C@H]1C=C[C@@H](NCc2cnc[nH]2)C1 382336831 697923121 /nfs/dbraw/zinc/92/31/21/697923121.db2.gz YHRWNLHZVLCQEC-DTWKUNHWSA-N 0 3 193.250 0.436 20 0 ACADHN C=C1CCN(C(=O)[C@H](CN)OC)CC1 382584866 697925527 /nfs/dbraw/zinc/92/55/27/697925527.db2.gz RLVNWMNWODPGGK-VIFPVBQESA-N 0 3 198.266 0.139 20 0 ACADHN CON(C)C(=O)[C@@H](C)NC1CC1 383072617 697926166 /nfs/dbraw/zinc/92/61/66/697926166.db2.gz RBFMIDRUVHDJCT-ZCFIWIBFSA-N 0 3 172.228 0.147 20 0 ACADHN CON(C)C(=O)[C@H](C)NC1CC1 383072616 697926211 /nfs/dbraw/zinc/92/62/11/697926211.db2.gz RBFMIDRUVHDJCT-LURJTMIESA-N 0 3 172.228 0.147 20 0 ACADHN C#C[C@](C)(CC)NCC(=O)NCC#N 384183543 697928483 /nfs/dbraw/zinc/92/84/83/697928483.db2.gz RDOXMTADJZCDMS-SNVBAGLBSA-N 0 3 193.250 0.018 20 0 ACADHN C#C[C@@](C)(CC)NCC(=O)NCC#N 384183520 697928670 /nfs/dbraw/zinc/92/86/70/697928670.db2.gz RDOXMTADJZCDMS-JTQLQIEISA-N 0 3 193.250 0.018 20 0 ACADHN CC/C=C\CNCCS(C)(=O)=O 384898280 697932309 /nfs/dbraw/zinc/93/23/09/697932309.db2.gz MZSHGEAEYNOTBO-PLNGDYQASA-N 0 3 191.296 0.587 20 0 ACADHN CC/C=C/CNCCS(C)(=O)=O 384898284 697932266 /nfs/dbraw/zinc/93/22/66/697932266.db2.gz MZSHGEAEYNOTBO-SNAWJCMRSA-N 0 3 191.296 0.587 20 0 ACADHN CCN(CCOC)Cc1cnc[nH]1 388338146 697953516 /nfs/dbraw/zinc/95/35/16/697953516.db2.gz IHZQEWZLHZDGRZ-UHFFFAOYSA-N 0 3 183.255 0.878 20 0 ACADHN COCC(COC)NCc1cnc[nH]1 388392188 697958457 /nfs/dbraw/zinc/95/84/57/697958457.db2.gz CZCPDKJAHYYDJV-UHFFFAOYSA-N 0 3 199.254 0.161 20 0 ACADHN CC(C)CN(C)Cn1cnnc1 388440486 697965442 /nfs/dbraw/zinc/96/54/42/697965442.db2.gz SCCQUHHKTSJXIA-UHFFFAOYSA-N 0 3 168.244 0.823 20 0 ACADHN CCN(C)C(=O)[C@H](N)CC1CC1 388467528 697967950 /nfs/dbraw/zinc/96/79/50/697967950.db2.gz KEJNAGFEFUYGLD-MRVPVSSYSA-N 0 3 170.256 0.592 20 0 ACADHN CCC(=O)CCN(C)CCOC 388520829 697972802 /nfs/dbraw/zinc/97/28/02/697972802.db2.gz XBMWNAPILDHJER-UHFFFAOYSA-N 0 3 173.256 0.934 20 0 ACADHN CCN(C)C(=O)C1(N(C)C)CCC1 388594867 697976515 /nfs/dbraw/zinc/97/65/15/697976515.db2.gz CIOMDCDLZIGJIG-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN C/C=C(\C)C(=O)N(C)CCN(C)C 388627982 697982213 /nfs/dbraw/zinc/98/22/13/697982213.db2.gz JTWQBHYLIMWJEF-RMKNXTFCSA-N 0 3 184.283 0.973 20 0 ACADHN C/C=C(/C)C(=O)N(C)CCN(C)C 388627983 697982317 /nfs/dbraw/zinc/98/23/17/697982317.db2.gz JTWQBHYLIMWJEF-TWGQIWQCSA-N 0 3 184.283 0.973 20 0 ACADHN COC(CN(C)C1(CO)CC1)OC 388630501 697983104 /nfs/dbraw/zinc/98/31/04/697983104.db2.gz KUMYAYUVJSNAOQ-UHFFFAOYSA-N 0 3 189.255 0.062 20 0 ACADHN CN(CC[N+](=O)[O-])C[C@H]1CCOC1 388647425 697984501 /nfs/dbraw/zinc/98/45/01/697984501.db2.gz QQRXMPOEGKJYFS-MRVPVSSYSA-N 0 3 188.227 0.231 20 0 ACADHN CN(CC[N+](=O)[O-])C[C@@H]1CCOC1 388647426 697984597 /nfs/dbraw/zinc/98/45/97/697984597.db2.gz QQRXMPOEGKJYFS-QMMMGPOBSA-N 0 3 188.227 0.231 20 0 ACADHN Cn1ncc(CNC[C@@H]2CC2(C)C)n1 388689027 697987275 /nfs/dbraw/zinc/98/72/75/697987275.db2.gz JXWKGXDLNMEVQK-QMMMGPOBSA-N 0 3 194.282 0.951 20 0 ACADHN Cn1ncc(CNC[C@H]2CC2(C)C)n1 388689025 697987623 /nfs/dbraw/zinc/98/76/23/697987623.db2.gz JXWKGXDLNMEVQK-MRVPVSSYSA-N 0 3 194.282 0.951 20 0 ACADHN c1nc(SCCN2CCCC2)n[nH]1 388741266 697991806 /nfs/dbraw/zinc/99/18/06/697991806.db2.gz XYTVYAPYWCANOM-UHFFFAOYSA-N 0 3 198.295 0.993 20 0 ACADHN COCCCNCc1cn(C)cn1 388747621 697992431 /nfs/dbraw/zinc/99/24/31/697992431.db2.gz ZKHFCHJSZIHYTD-UHFFFAOYSA-N 0 3 183.255 0.546 20 0 ACADHN Cc1oncc1CN[C@H](CO)C1CC1 388763870 697993657 /nfs/dbraw/zinc/99/36/57/697993657.db2.gz WVHDLBKQLUMMJC-SNVBAGLBSA-N 0 3 196.250 0.844 20 0 ACADHN Cc1oncc1CN[C@@H](CO)C1CC1 388763869 697993746 /nfs/dbraw/zinc/99/37/46/697993746.db2.gz WVHDLBKQLUMMJC-JTQLQIEISA-N 0 3 196.250 0.844 20 0 ACADHN N[C@@H](CC1CC1)C(=O)NC1CCC1 388779617 697994816 /nfs/dbraw/zinc/99/48/16/697994816.db2.gz JGKSRLMMONWNHU-VIFPVBQESA-N 0 3 182.267 0.783 20 0 ACADHN CN(CCC1CC1)Cn1cnnc1 388783984 697995259 /nfs/dbraw/zinc/99/52/59/697995259.db2.gz KFOUSJXUTIKKCR-UHFFFAOYSA-N 0 3 180.255 0.968 20 0 ACADHN N[C@H](CC1CC1)C(=O)NCC(F)F 388813668 697997652 /nfs/dbraw/zinc/99/76/52/697997652.db2.gz RSCJAGGWKUAEMG-ZCFIWIBFSA-N 0 3 192.209 0.495 20 0 ACADHN C[C@H](CCO)CNCc1cn(C)cn1 389319757 698008877 /nfs/dbraw/zinc/00/88/77/698008877.db2.gz REGGFOFTGCFISJ-SECBINFHSA-N 0 3 197.282 0.528 20 0 ACADHN C[C@@H](CCO)CNCc1cn(C)cn1 389319761 698009123 /nfs/dbraw/zinc/00/91/23/698009123.db2.gz REGGFOFTGCFISJ-VIFPVBQESA-N 0 3 197.282 0.528 20 0 ACADHN CN(CCCF)[C@@H]1COC[C@H]1O 393196182 698013769 /nfs/dbraw/zinc/01/37/69/698013769.db2.gz UGWCKQFFNDGRJL-HTQZYQBOSA-N 0 3 177.219 0.038 20 0 ACADHN C[C@H]1C[C@@H]1C(=O)NOCCN(C)C 393305960 698014314 /nfs/dbraw/zinc/01/43/14/698014314.db2.gz MLZYRIDBSDGDOW-YUMQZZPRSA-N 0 3 186.255 0.252 20 0 ACADHN C[C@H]1C[C@H]1C(=O)NOCCN(C)C 393305957 698014344 /nfs/dbraw/zinc/01/43/44/698014344.db2.gz MLZYRIDBSDGDOW-JGVFFNPUSA-N 0 3 186.255 0.252 20 0 ACADHN C[C@@H]1C[C@H]1C(=O)NOCCN(C)C 393305955 698014400 /nfs/dbraw/zinc/01/44/00/698014400.db2.gz MLZYRIDBSDGDOW-HTQZYQBOSA-N 0 3 186.255 0.252 20 0 ACADHN CN(C)CCONC(=O)c1ccoc1 393310764 698014420 /nfs/dbraw/zinc/01/44/20/698014420.db2.gz RGBNNGOWBOOOSG-UHFFFAOYSA-N 0 3 198.222 0.503 20 0 ACADHN C[C@@H]1C[C@@H]1C(=O)NOCCN(C)C 393305959 698014528 /nfs/dbraw/zinc/01/45/28/698014528.db2.gz MLZYRIDBSDGDOW-SFYZADRCSA-N 0 3 186.255 0.252 20 0 ACADHN Cn1cnc(CNCCCF)c1 393323672 698015398 /nfs/dbraw/zinc/01/53/98/698015398.db2.gz TWMBBKXGPRCKTL-UHFFFAOYSA-N 0 3 171.219 0.869 20 0 ACADHN CNC(=O)[C@H](C)CN(C)CCF 393332704 698016475 /nfs/dbraw/zinc/01/64/75/698016475.db2.gz QUBUWPKTKBNPQH-SSDOTTSWSA-N 0 3 176.235 0.270 20 0 ACADHN CNC(=O)[C@@H](C)CN(C)CCF 393332705 698016653 /nfs/dbraw/zinc/01/66/53/698016653.db2.gz QUBUWPKTKBNPQH-ZETCQYMHSA-N 0 3 176.235 0.270 20 0 ACADHN CN(C(=O)[C@H](N)CC1CC1)C1CC1 393586068 698019725 /nfs/dbraw/zinc/01/97/25/698019725.db2.gz SMUSYFDUMYKPHV-SECBINFHSA-N 0 3 182.267 0.735 20 0 ACADHN COCC[C@H](C)NCc1cn(C)cn1 393669161 698020066 /nfs/dbraw/zinc/02/00/66/698020066.db2.gz QUZZTPVGLSALFO-VIFPVBQESA-N 0 3 197.282 0.935 20 0 ACADHN CO[C@@H](C)CCNCc1cnccn1 393679847 698021575 /nfs/dbraw/zinc/02/15/75/698021575.db2.gz VJNJFRLQKLGSME-VIFPVBQESA-N 0 3 195.266 0.991 20 0 ACADHN CO[C@H](C)CCNCc1cnccn1 393679846 698021676 /nfs/dbraw/zinc/02/16/76/698021676.db2.gz VJNJFRLQKLGSME-SECBINFHSA-N 0 3 195.266 0.991 20 0 ACADHN C[C@H](NCc1cnccn1)C(C)(C)O 393989060 698029464 /nfs/dbraw/zinc/02/94/64/698029464.db2.gz NJGOZRJDORNUPQ-QMMMGPOBSA-N 0 3 195.266 0.726 20 0 ACADHN CC[C@@H](O)CNCc1ccc(C)nn1 396723939 698037513 /nfs/dbraw/zinc/03/75/13/698037513.db2.gz XQGUVWRHACWNQY-SNVBAGLBSA-N 0 3 195.266 0.646 20 0 ACADHN CC[C@H](Cn1cc([C@H](C)N)nn1)OC 396963507 698038214 /nfs/dbraw/zinc/03/82/14/698038214.db2.gz DRAGPIPNLYMIOC-JGVFFNPUSA-N 0 3 198.270 0.723 20 0 ACADHN CC[C@@H](Cn1cc([C@@H](C)N)nn1)OC 396968811 698038281 /nfs/dbraw/zinc/03/82/81/698038281.db2.gz DRAGPIPNLYMIOC-SFYZADRCSA-N 0 3 198.270 0.723 20 0 ACADHN CC[C@H](Cn1cc([C@@H](C)N)nn1)OC 396968810 698038404 /nfs/dbraw/zinc/03/84/04/698038404.db2.gz DRAGPIPNLYMIOC-HTQZYQBOSA-N 0 3 198.270 0.723 20 0 ACADHN CC[C@@H](Cn1cc([C@H](C)N)nn1)OC 396963510 698038429 /nfs/dbraw/zinc/03/84/29/698038429.db2.gz DRAGPIPNLYMIOC-YUMQZZPRSA-N 0 3 198.270 0.723 20 0 ACADHN CC(C)(C)SCCNC(=O)CN 397483191 698039060 /nfs/dbraw/zinc/03/90/60/698039060.db2.gz QSZXERMKUNRVSK-UHFFFAOYSA-N 0 3 190.312 0.593 20 0 ACADHN CON(C)C(=O)[C@@H](N)C1CCC1 399076321 698042749 /nfs/dbraw/zinc/04/27/49/698042749.db2.gz OBTLBVZUPNQMOA-ZETCQYMHSA-N 0 3 172.228 0.134 20 0 ACADHN CON(C)C(=O)[C@H](N)C1CCC1 399076319 698043204 /nfs/dbraw/zinc/04/32/04/698043204.db2.gz OBTLBVZUPNQMOA-SSDOTTSWSA-N 0 3 172.228 0.134 20 0 ACADHN CO[N-]C(=O)[C@@H](C(C)C)[C@H](C)[NH3+] 399432388 698043485 /nfs/dbraw/zinc/04/34/85/698043485.db2.gz JHNLNMRMFKTRGA-BQBZGAKWSA-N 0 3 174.244 0.283 20 0 ACADHN CO[N-]C(=O)[C@H](C(C)C)[C@H](C)[NH3+] 399432389 698043702 /nfs/dbraw/zinc/04/37/02/698043702.db2.gz JHNLNMRMFKTRGA-NKWVEPMBSA-N 0 3 174.244 0.283 20 0 ACADHN CO[N-]C(=O)[C@H](C(C)C)[C@@H](C)[NH3+] 399432391 698043771 /nfs/dbraw/zinc/04/37/71/698043771.db2.gz JHNLNMRMFKTRGA-RNFRBKRXSA-N 0 3 174.244 0.283 20 0 ACADHN CO[N-]C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] 399432392 698043836 /nfs/dbraw/zinc/04/38/36/698043836.db2.gz JHNLNMRMFKTRGA-RQJHMYQMSA-N 0 3 174.244 0.283 20 0 ACADHN COc1cncc(CNC[C@H](C)O)c1 700088979 698051438 /nfs/dbraw/zinc/05/14/38/698051438.db2.gz UYYWKPDBSUNJNR-QMMMGPOBSA-N 0 3 196.250 0.561 20 0 ACADHN COc1cncc(CN[C@H](C)CO)c1 700089539 698051494 /nfs/dbraw/zinc/05/14/94/698051494.db2.gz ZCJXXOHDXQSUMH-MRVPVSSYSA-N 0 3 196.250 0.561 20 0 ACADHN COc1cncc(CN[C@@H](C)CO)c1 700089540 698051551 /nfs/dbraw/zinc/05/15/51/698051551.db2.gz ZCJXXOHDXQSUMH-QMMMGPOBSA-N 0 3 196.250 0.561 20 0 ACADHN COc1cncc(CNCCO)c1 700087698 698051642 /nfs/dbraw/zinc/05/16/42/698051642.db2.gz JDNVDPGXNUDHPT-UHFFFAOYSA-N 0 3 182.223 0.172 20 0 ACADHN CO[C@H]1C[C@H](NCc2c[nH]cn2)C1 706509890 698055235 /nfs/dbraw/zinc/05/52/35/698055235.db2.gz NISYGEVQUWZEBY-XWEPSHTISA-N 0 3 181.239 0.677 20 0 ACADHN C[C@H]1COC[C@@H]1NCc1cn[nH]c1 710890654 698058200 /nfs/dbraw/zinc/05/82/00/698058200.db2.gz OSSZWLFCNSWENT-CBAPKCEASA-N 0 3 181.239 0.534 20 0 ACADHN C[C@@H]1COC[C@H]1NCc1cn[nH]c1 710890658 698058240 /nfs/dbraw/zinc/05/82/40/698058240.db2.gz OSSZWLFCNSWENT-VXNVDRBHSA-N 0 3 181.239 0.534 20 0 ACADHN CN1CC[C@H]1CNCc1cncs1 712581707 698059829 /nfs/dbraw/zinc/05/98/29/698059829.db2.gz PBSYHKOWPFBMID-QMMMGPOBSA-N 0 3 197.307 0.937 20 0 ACADHN CN1CC[C@@H]1CNCc1cncs1 712581705 698059895 /nfs/dbraw/zinc/05/98/95/698059895.db2.gz PBSYHKOWPFBMID-MRVPVSSYSA-N 0 3 197.307 0.937 20 0 ACADHN O=C1CC[C@@H](N2CCCCC2)C(=O)N1 799112835 698099034 /nfs/dbraw/zinc/09/90/34/698099034.db2.gz XTIWISLWWFVRIF-MRVPVSSYSA-N 0 3 196.250 0.278 20 0 ACADHN O=C1CC[C@H](N2CCCCC2)C(=O)N1 799112836 698099146 /nfs/dbraw/zinc/09/91/46/698099146.db2.gz XTIWISLWWFVRIF-QMMMGPOBSA-N 0 3 196.250 0.278 20 0 ACADHN CCO[N-]C(=O)CC1(C[NH3+])CC1 826098282 698109758 /nfs/dbraw/zinc/10/97/58/698109758.db2.gz ZIXZZZPDUSKVCX-UHFFFAOYSA-N 0 3 172.228 0.183 20 0 ACADHN CCN(CC[S@@](C)=O)C1CC1 827777717 698110440 /nfs/dbraw/zinc/11/04/40/698110440.db2.gz VYYVLRKDWORNCE-LLVKDONJSA-N 0 3 175.297 0.849 20 0 ACADHN CCN(CC[S@](C)=O)C1CC1 827777718 698110424 /nfs/dbraw/zinc/11/04/24/698110424.db2.gz VYYVLRKDWORNCE-NSHDSACASA-N 0 3 175.297 0.849 20 0 ACADHN CN(CC[S@](C)=O)CC1CC1 827793227 698110458 /nfs/dbraw/zinc/11/04/58/698110458.db2.gz VMNAJJLRVIONGI-NSHDSACASA-N 0 3 175.297 0.707 20 0 ACADHN CN(CC[S@@](C)=O)CC1CC1 827793226 698110481 /nfs/dbraw/zinc/11/04/81/698110481.db2.gz VMNAJJLRVIONGI-LLVKDONJSA-N 0 3 175.297 0.707 20 0 ACADHN CON1CCN(CCC2CC2)CC1 846971714 698122982 /nfs/dbraw/zinc/12/29/82/698122982.db2.gz NLXUINIOKKLZCB-UHFFFAOYSA-N 0 3 184.283 0.966 20 0 ACADHN CC[C@@H](C)N1CCN(OC)CC1 846971639 698123349 /nfs/dbraw/zinc/12/33/49/698123349.db2.gz MPAPMQWLQAPIIZ-SECBINFHSA-N 0 3 172.272 0.964 20 0 ACADHN CCCCN1CCN(OC)CC1 846978527 698123371 /nfs/dbraw/zinc/12/33/71/698123371.db2.gz UQFDKFMMOPXZGV-UHFFFAOYSA-N 0 3 172.272 0.966 20 0 ACADHN CC[C@H](C)N1CCN(OC)CC1 846971641 698123406 /nfs/dbraw/zinc/12/34/06/698123406.db2.gz MPAPMQWLQAPIIZ-VIFPVBQESA-N 0 3 172.272 0.964 20 0 ACADHN CON1CCN(CC2CC2)CC1 846978868 698123424 /nfs/dbraw/zinc/12/34/24/698123424.db2.gz ZKVXAGNFIIKSCZ-UHFFFAOYSA-N 0 3 170.256 0.575 20 0 ACADHN CON1CCN(C(C)C)CC1 846986503 698123599 /nfs/dbraw/zinc/12/35/99/698123599.db2.gz UFPLGXVXKTWSMW-UHFFFAOYSA-N 0 3 158.245 0.574 20 0 ACADHN C=C=CCNC(=O)C1(N(C)C)CCC1 848114432 698125581 /nfs/dbraw/zinc/12/55/81/698125581.db2.gz KBJFVPHMXFLGRP-UHFFFAOYSA-N 0 3 194.278 0.928 20 0 ACADHN C[NH+](C)CCO[N-]C(=O)CCCF 854690367 698129733 /nfs/dbraw/zinc/12/97/33/698129733.db2.gz ABMAELHZABLMFQ-UHFFFAOYSA-N 0 3 192.234 0.346 20 0 ACADHN CN(C)CCN(C)C(=O)OCCF 859049594 698134067 /nfs/dbraw/zinc/13/40/67/698134067.db2.gz QBTAAUFPMYZFQH-UHFFFAOYSA-N 0 3 192.234 0.586 20 0 ACADHN Cc1c[nH]nc1CNC[C@H]1C[C@H](O)C1 873177885 698142000 /nfs/dbraw/zinc/14/20/00/698142000.db2.gz BKMAXKAGWAPJRW-KYZUINATSA-N 0 3 195.266 0.579 20 0 ACADHN CN(Cc1cnc[nH]1)CC(C)(C)CO 878664465 698144468 /nfs/dbraw/zinc/14/44/68/698144468.db2.gz IQUGNWLHXXKETF-UHFFFAOYSA-N 0 3 197.282 0.860 20 0 ACADHN CC[C@H](CO)N(C)Cc1cnc[nH]1 878658450 698144671 /nfs/dbraw/zinc/14/46/71/698144671.db2.gz CLXCKECDYJNHEK-SECBINFHSA-N 0 3 183.255 0.612 20 0 ACADHN CC[C@@H](CO)N(C)Cc1cnc[nH]1 878658451 698144796 /nfs/dbraw/zinc/14/47/96/698144796.db2.gz CLXCKECDYJNHEK-VIFPVBQESA-N 0 3 183.255 0.612 20 0 ACADHN Cc1cc(N)nc(N[C@H](C)CO)n1 891684760 698153404 /nfs/dbraw/zinc/15/34/04/698153404.db2.gz OUJAWXRWQZTTTG-ZCFIWIBFSA-N 0 3 182.227 0.160 20 0 ACADHN Cc1cc(N)nc(N[C@@H](C)CO)n1 891684754 698153569 /nfs/dbraw/zinc/15/35/69/698153569.db2.gz OUJAWXRWQZTTTG-LURJTMIESA-N 0 3 182.227 0.160 20 0 ACADHN Cc1cc(N)nc(NCCCCO)n1 893545666 698156402 /nfs/dbraw/zinc/15/64/02/698156402.db2.gz VZLMBOAEMBGRHE-UHFFFAOYSA-N 0 3 196.254 0.552 20 0 ACADHN CN(C)C(=O)[C@@H]1CCN1C(C)(C)C 895506857 698160770 /nfs/dbraw/zinc/16/07/70/698160770.db2.gz BDTOXWQAKQHSJF-QMMMGPOBSA-N 0 3 184.283 0.947 20 0 ACADHN CN(C)C(=O)[C@H]1CCN1C(C)(C)C 895506856 698160818 /nfs/dbraw/zinc/16/08/18/698160818.db2.gz BDTOXWQAKQHSJF-MRVPVSSYSA-N 0 3 184.283 0.947 20 0 ACADHN O=C(CO)OCCN1CCCCC1 909117927 698168272 /nfs/dbraw/zinc/16/82/72/698168272.db2.gz XQKQYPMEUFYOPA-UHFFFAOYSA-N 0 3 187.239 0.008 20 0 ACADHN CCN1CC([C@H](C)NC(=O)C2CC2)C1 969182885 698191044 /nfs/dbraw/zinc/19/10/44/698191044.db2.gz GEJIVEQOADEOIX-QMMMGPOBSA-N 0 3 196.294 0.853 20 0 ACADHN CC[C@@H]1C(=O)NCCCN1CC 933220638 698183519 /nfs/dbraw/zinc/18/35/19/698183519.db2.gz HYIFFZAWIQPPMO-MRVPVSSYSA-N 0 3 170.256 0.607 20 0 ACADHN COC[C@H]1COCCN1CC(C)C 933332571 698184235 /nfs/dbraw/zinc/18/42/35/698184235.db2.gz JQERDSSKPUONFR-JTQLQIEISA-N 0 3 187.283 0.990 20 0 ACADHN COC[C@@H]1COCCN1CC(C)C 933332572 698184344 /nfs/dbraw/zinc/18/43/44/698184344.db2.gz JQERDSSKPUONFR-SNVBAGLBSA-N 0 3 187.283 0.990 20 0 ACADHN CCN1CC([C@@H](C)NC(=O)C2CC2)C1 969182884 698190936 /nfs/dbraw/zinc/19/09/36/698190936.db2.gz GEJIVEQOADEOIX-MRVPVSSYSA-N 0 3 196.294 0.853 20 0 ACADHN CCN1CC([C@H](C)NC(C)=O)C1 969179499 698190947 /nfs/dbraw/zinc/19/09/47/698190947.db2.gz BEXUFORDNMILDZ-ZETCQYMHSA-N 0 3 170.256 0.463 20 0 ACADHN CCN1CC([C@@H](C)NC(C)=O)C1 969179497 698190950 /nfs/dbraw/zinc/19/09/50/698190950.db2.gz BEXUFORDNMILDZ-SSDOTTSWSA-N 0 3 170.256 0.463 20 0 ACADHN CC(=O)N1C[C@@H](NCCF)C[C@@H]1C 987645728 698191308 /nfs/dbraw/zinc/19/13/08/698191308.db2.gz PQSAOVJDERHZKP-CBAPKCEASA-N 0 3 188.246 0.555 20 0 ACADHN CC(=O)N1C[C@H](NCCF)C[C@@H]1C 987645729 698191373 /nfs/dbraw/zinc/19/13/73/698191373.db2.gz PQSAOVJDERHZKP-IONNQARKSA-N 0 3 188.246 0.555 20 0 ACADHN CC(=O)N1C[C@@H](NCCF)C[C@H]1C 987645727 698191420 /nfs/dbraw/zinc/19/14/20/698191420.db2.gz PQSAOVJDERHZKP-APPZFPTMSA-N 0 3 188.246 0.555 20 0 ACADHN CC(=O)N1C[C@H](NCCF)C[C@H]1C 987645730 698191580 /nfs/dbraw/zinc/19/15/80/698191580.db2.gz PQSAOVJDERHZKP-VXNVDRBHSA-N 0 3 188.246 0.555 20 0 ACADHN CC(=O)N1CC[C@H](NCCF)C1 1018384389 698192190 /nfs/dbraw/zinc/19/21/90/698192190.db2.gz QLMQETDDQIXOPJ-QMMMGPOBSA-N 0 3 174.219 0.166 20 0 ACADHN CC(=O)N(C)C[C@H]1CCN1C(C)C 1085447926 698194378 /nfs/dbraw/zinc/19/43/78/698194378.db2.gz NHGGHEVSDLREHT-SNVBAGLBSA-N 0 3 184.283 0.947 20 0 ACADHN CCC(=O)N1C[C@H]2CCN(CC)C[C@H]21 1084138546 698194418 /nfs/dbraw/zinc/19/44/18/698194418.db2.gz PMKATASLJHKKRR-NXEZZACHSA-N 0 3 196.294 0.949 20 0 ACADHN CC(=O)N(C)C[C@@H]1CCN1C(C)C 1085447925 698194684 /nfs/dbraw/zinc/19/46/84/698194684.db2.gz NHGGHEVSDLREHT-JTQLQIEISA-N 0 3 184.283 0.947 20 0 ACADHN CCN1CC[C@H]1CN(C)C(C)=O 1085447664 698194722 /nfs/dbraw/zinc/19/47/22/698194722.db2.gz HLUAKRUGMDZFCP-VIFPVBQESA-N 0 3 170.256 0.559 20 0 ACADHN CCN1CC[C@@H]1CN(C)C(C)=O 1085447663 698194861 /nfs/dbraw/zinc/19/48/61/698194861.db2.gz HLUAKRUGMDZFCP-SECBINFHSA-N 0 3 170.256 0.559 20 0 ACADHN CCCN1CC[C@H]1CN(C)C(C)=O 1085445037 698194872 /nfs/dbraw/zinc/19/48/72/698194872.db2.gz WEUJFQISQPJYBD-JTQLQIEISA-N 0 3 184.283 0.949 20 0 ACADHN CCCN1CC[C@@H]1CN(C)C(C)=O 1085445038 698194877 /nfs/dbraw/zinc/19/48/77/698194877.db2.gz WEUJFQISQPJYBD-SNVBAGLBSA-N 0 3 184.283 0.949 20 0 ACADHN NCc1cc2c(=O)[nH][nH]c2cn1 521400981 325645293 /nfs/dbraw/zinc/64/52/93/325645293.db2.gz DPAKJNKSDGBXFX-UHFFFAOYSA-N 0 3 164.168 0.122 20 0 ACADHN CN1C(=O)c2c(F)cccc2[C@@H]1CN 536953892 325669837 /nfs/dbraw/zinc/66/98/37/325669837.db2.gz HXVSMHSSYMKFID-QMMMGPOBSA-N 0 3 194.209 0.911 20 0 ACADHN C[C@H]1CNCCN1c1ccccn1 39114065 132189135 /nfs/dbraw/zinc/18/91/35/132189135.db2.gz UPMQBOMVBDJTML-VIFPVBQESA-N 0 3 177.251 0.880 20 0 ACADHN C[C@@H]1CNCCN1c1ccccn1 39114064 132189393 /nfs/dbraw/zinc/18/93/93/132189393.db2.gz UPMQBOMVBDJTML-SECBINFHSA-N 0 3 177.251 0.880 20 0 ACADHN O=C1CN(c2ccncc2)CCN1 39114040 132189586 /nfs/dbraw/zinc/18/95/86/132189586.db2.gz WCDFJPZJXVQWQQ-UHFFFAOYSA-N 0 3 177.207 0.018 20 0 ACADHN C[C@H]1CN(c2ncccn2)C[C@@H](C)N1 39648562 132190246 /nfs/dbraw/zinc/19/02/46/132190246.db2.gz UZNRWNAFZKBCMS-DTORHVGOSA-N 0 3 192.266 0.663 20 0 ACADHN CC(=O)N1CCN(C)c2ccncc21 39115462 132191578 /nfs/dbraw/zinc/19/15/78/132191578.db2.gz STYBLUMAPSMCCI-UHFFFAOYSA-N 0 3 191.234 0.884 20 0 ACADHN Cc1cc(N2CCN[C@@H](C)C2)ncn1 52783541 132192039 /nfs/dbraw/zinc/19/20/39/132192039.db2.gz QOOJOJBJMZWEMW-VIFPVBQESA-N 0 3 192.266 0.583 20 0 ACADHN Cc1cc(N2CCN[C@H](C)C2)ncn1 52783540 132192156 /nfs/dbraw/zinc/19/21/56/132192156.db2.gz QOOJOJBJMZWEMW-SECBINFHSA-N 0 3 192.266 0.583 20 0 ACADHN C[C@@H]1CN(c2cnccn2)CCN1 52783331 132192373 /nfs/dbraw/zinc/19/23/73/132192373.db2.gz ZNYZOCZLFGQDEK-MRVPVSSYSA-N 0 3 178.239 0.275 20 0 ACADHN C[C@H]1CN(c2cnccn2)CCN1 52783332 132192399 /nfs/dbraw/zinc/19/23/99/132192399.db2.gz ZNYZOCZLFGQDEK-QMMMGPOBSA-N 0 3 178.239 0.275 20 0 ACADHN Cc1nccc(N2CCNC[C@H]2C)n1 54936911 132192640 /nfs/dbraw/zinc/19/26/40/132192640.db2.gz VYHOCFYYVUJOHP-MRVPVSSYSA-N 0 3 192.266 0.583 20 0 ACADHN Cc1nccc(N2CCNC[C@@H]2C)n1 54936908 132192725 /nfs/dbraw/zinc/19/27/25/132192725.db2.gz VYHOCFYYVUJOHP-QMMMGPOBSA-N 0 3 192.266 0.583 20 0 ACADHN NCc1ccnc(N2CCCCC2)n1 54791121 132192732 /nfs/dbraw/zinc/19/27/32/132192732.db2.gz VNTOGTSCGVKRIN-UHFFFAOYSA-N 0 3 192.266 0.926 20 0 ACADHN Cc1cc(N2CCNC[C@@H]2C)ncn1 54375381 132192790 /nfs/dbraw/zinc/19/27/90/132192790.db2.gz ANMAJNVXZAKVEL-VIFPVBQESA-N 0 3 192.266 0.583 20 0 ACADHN C[C@H]1CNCCN1c1ccncn1 54375415 132192822 /nfs/dbraw/zinc/19/28/22/132192822.db2.gz BVMCJOVDJGZLOR-QMMMGPOBSA-N 0 3 178.239 0.275 20 0 ACADHN C[C@@H]1CNCCN1c1ccncn1 54375413 132192847 /nfs/dbraw/zinc/19/28/47/132192847.db2.gz BVMCJOVDJGZLOR-MRVPVSSYSA-N 0 3 178.239 0.275 20 0 ACADHN Cc1nccc(N2CCN[C@@H](C)C2)n1 54935537 132192907 /nfs/dbraw/zinc/19/29/07/132192907.db2.gz KAQZCLCHCWZGAE-QMMMGPOBSA-N 0 3 192.266 0.583 20 0 ACADHN Cc1cc(N2CCNC[C@H]2C)ncn1 54375383 132192934 /nfs/dbraw/zinc/19/29/34/132192934.db2.gz ANMAJNVXZAKVEL-SECBINFHSA-N 0 3 192.266 0.583 20 0 ACADHN C[C@@H]1CNCCN1c1cccnn1 54375372 132192957 /nfs/dbraw/zinc/19/29/57/132192957.db2.gz ADZDGIDBCGBZPK-MRVPVSSYSA-N 0 3 178.239 0.275 20 0 ACADHN C[C@H]1CNCCN1c1cccnn1 54375374 132193000 /nfs/dbraw/zinc/19/30/00/132193000.db2.gz ADZDGIDBCGBZPK-QMMMGPOBSA-N 0 3 178.239 0.275 20 0 ACADHN C[C@H]1CN(c2cnccn2)C[C@@H](C)N1 53711586 132193027 /nfs/dbraw/zinc/19/30/27/132193027.db2.gz NNCRZVBTJPLETF-DTORHVGOSA-N 0 3 192.266 0.663 20 0 ACADHN Cc1nccc(N2CCN[C@H](C)C2)n1 54935535 132193097 /nfs/dbraw/zinc/19/30/97/132193097.db2.gz KAQZCLCHCWZGAE-MRVPVSSYSA-N 0 3 192.266 0.583 20 0 ACADHN CCc1nccc(N2CCNCC2)n1 60174934 132193705 /nfs/dbraw/zinc/19/37/05/132193705.db2.gz MCHHEAIWMOESOU-UHFFFAOYSA-N 0 3 192.266 0.449 20 0 ACADHN C[C@H]1CN(CC2CCC2)C[C@H](CO)O1 299904919 133426126 /nfs/dbraw/zinc/42/61/26/133426126.db2.gz FQFVWJOBUBSULP-GXSJLCMTSA-N 0 3 199.294 0.868 20 0 ACADHN CNCC(=O)N[C@H]1CCCC1(C)C 86877039 136411807 /nfs/dbraw/zinc/41/18/07/136411807.db2.gz YIVUDHCEKRVFHV-QMMMGPOBSA-N 0 3 184.283 0.901 20 0 ACADHN CNCC(=O)N1[C@@H](C)CCC[C@@H]1C 19519794 343057719 /nfs/dbraw/zinc/05/77/19/343057719.db2.gz GDXMQTSXDUTGLQ-IUCAKERBSA-N 0 3 184.283 0.995 20 0 ACADHN C[C@H]1C[C@@H](C)CN(C(=O)CN)C1 19473600 343055659 /nfs/dbraw/zinc/05/56/59/343055659.db2.gz HXDDYMWEWOFXKX-OCAPTIKFSA-N 0 3 170.256 0.450 20 0 ACADHN Cc1ccc(CNC(=O)[C@@H](C)N)cc1 19484905 343056076 /nfs/dbraw/zinc/05/60/76/343056076.db2.gz KYVYBUUMXKYYSV-SECBINFHSA-N 0 3 192.262 0.958 20 0 ACADHN CNCC(=O)NCc1ccc(C)cc1 19511972 343057246 /nfs/dbraw/zinc/05/72/46/343057246.db2.gz JZNHRRVPXCZJDF-UHFFFAOYSA-N 0 3 192.262 0.831 20 0 ACADHN CNCC(=O)NCc1cccc(F)c1 20473660 343073944 /nfs/dbraw/zinc/07/39/44/343073944.db2.gz JBCPZCUISKCWSC-UHFFFAOYSA-N 0 3 196.225 0.661 20 0 ACADHN CC(C)NC(=O)N1CCCN(C)CC1 20515044 343073957 /nfs/dbraw/zinc/07/39/57/343073957.db2.gz AMPPECYRKUZWFW-UHFFFAOYSA-N 0 3 199.298 0.742 20 0 ACADHN CCCCCNC(=O)[C@H](C)NC 20363857 343072510 /nfs/dbraw/zinc/07/25/10/343072510.db2.gz FKXDUDLFDRTYHR-QMMMGPOBSA-N 0 3 172.272 0.901 20 0 ACADHN CCN[C@H](C)C(=O)N[C@@H](C)CC 20363965 343072526 /nfs/dbraw/zinc/07/25/26/343072526.db2.gz ZDHQOLMIFRZAPA-JGVFFNPUSA-N 0 3 172.272 0.899 20 0 ACADHN CCC[C@@H](C)NC(=O)[C@H](C)NC 20363876 343072529 /nfs/dbraw/zinc/07/25/29/343072529.db2.gz FLKXMGWNJQCNKU-SFYZADRCSA-N 0 3 172.272 0.899 20 0 ACADHN CN(C)C(=O)[C@H](N)C(C)(C)C 21304385 343075199 /nfs/dbraw/zinc/07/51/99/343075199.db2.gz WQLVEAXQSUHALO-LURJTMIESA-N 0 3 158.245 0.448 20 0 ACADHN CN(C)C(=O)[C@@H](N)C(C)(C)C 21304381 343075218 /nfs/dbraw/zinc/07/52/18/343075218.db2.gz WQLVEAXQSUHALO-ZCFIWIBFSA-N 0 3 158.245 0.448 20 0 in-vitro ACADHN CCCCN(C)[C@@H](C)C(N)=O 32016261 343097150 /nfs/dbraw/zinc/09/71/50/343097150.db2.gz BEAOTXCYENZODS-ZETCQYMHSA-N 0 3 158.245 0.592 20 0 ACADHN Cc1noc(C)c1CNC[C@@H](C)O 35112569 343128125 /nfs/dbraw/zinc/12/81/25/343128125.db2.gz VAYDQPUOMXDGIN-ZCFIWIBFSA-N 0 3 184.239 0.762 20 0 ACADHN CC[C@@H]1CCCN(C(=O)CNC)C1 36169754 343141105 /nfs/dbraw/zinc/14/11/05/343141105.db2.gz CHSPOMYIGZBKCQ-SECBINFHSA-N 0 3 184.283 0.854 20 0 ACADHN CC[C@@H]1CCCN(C(=O)[C@H](C)N)C1 36169718 343141118 /nfs/dbraw/zinc/14/11/18/343141118.db2.gz ZIDGKTBXTQZMPY-DTWKUNHWSA-N 0 3 184.283 0.982 20 0 ACADHN CNCC(=O)N(C)Cc1cc(C)on1 36200406 343141665 /nfs/dbraw/zinc/14/16/65/343141665.db2.gz LKEJAABHPLBFSR-UHFFFAOYSA-N 0 3 197.238 0.161 20 0 ACADHN Cc1cc(CN(C)C(=O)[C@H](C)N)no1 36200380 343141728 /nfs/dbraw/zinc/14/17/28/343141728.db2.gz MXWLUOMWUIWUNL-ZETCQYMHSA-N 0 3 197.238 0.289 20 0 ACADHN CCOCCNC(=O)[C@H](N)C(C)C 36230165 343142318 /nfs/dbraw/zinc/14/23/18/343142318.db2.gz MSUHFHFSBDVHRQ-MRVPVSSYSA-N 0 3 188.271 0.122 20 0 ACADHN CC1(C)CN(CCCCO)CCO1 36232941 343142326 /nfs/dbraw/zinc/14/23/26/343142326.db2.gz VBZFHNPWEJODQB-UHFFFAOYSA-N 0 3 187.283 0.870 20 0 ACADHN COCCCNCc1cc[nH]n1 36900200 343153466 /nfs/dbraw/zinc/15/34/66/343153466.db2.gz RUDACTXJKKYECE-UHFFFAOYSA-N 0 3 169.228 0.536 20 0 ACADHN Cc1n[nH]cc1CNC[C@H]1CCCO1 36901538 343153973 /nfs/dbraw/zinc/15/39/73/343153973.db2.gz PTLQRNQKQYURMM-SNVBAGLBSA-N 0 3 195.266 0.987 20 0 ACADHN Cc1n[nH]cc1CNC(C)(C)CO 36901679 343153976 /nfs/dbraw/zinc/15/39/76/343153976.db2.gz YOOXQWXKWRWBSC-UHFFFAOYSA-N 0 3 183.255 0.579 20 0 ACADHN Cc1n[nH]cc1CNC[C@@H]1CCCO1 36901537 343154037 /nfs/dbraw/zinc/15/40/37/343154037.db2.gz PTLQRNQKQYURMM-JTQLQIEISA-N 0 3 195.266 0.987 20 0 ACADHN Cc1ccc([C@@H](N)CC(N)=O)s1 36906778 343154044 /nfs/dbraw/zinc/15/40/44/343154044.db2.gz PYTVBKRXSYQMNC-LURJTMIESA-N 0 3 184.264 0.932 20 0 ACADHN C[C@H](N)C(=O)N(C)[C@H]1CCSC1 37175068 343162092 /nfs/dbraw/zinc/16/20/92/343162092.db2.gz FJKPJYSZKGENHM-BQBZGAKWSA-N 0 3 188.296 0.298 20 0 ACADHN C[C@H](N)C(=O)N(C)C1CCCC1 37092827 343159160 /nfs/dbraw/zinc/15/91/60/343159160.db2.gz GAWLBGGTOBFUIF-ZETCQYMHSA-N 0 3 170.256 0.735 20 0 ACADHN CNCC(=O)N(C)C1CCCC1 37092826 343159208 /nfs/dbraw/zinc/15/92/08/343159208.db2.gz PSEMWDJWDYDLCA-UHFFFAOYSA-N 0 3 170.256 0.607 20 0 ACADHN CCCN(CC)C(=O)CN 37095125 343159215 /nfs/dbraw/zinc/15/92/15/343159215.db2.gz HYAUDGAMQMIQFZ-UHFFFAOYSA-N 0 3 144.218 0.204 20 0 ACADHN CC(C)(C)n1cc(CNCCO)cn1 37250688 343164448 /nfs/dbraw/zinc/16/44/48/343164448.db2.gz CAFWAXDBRYLEJM-UHFFFAOYSA-N 0 3 197.282 0.720 20 0 ACADHN CC(C)COCCCNC(=O)CN 37468844 343170055 /nfs/dbraw/zinc/17/00/55/343170055.db2.gz YQJMNMHUOSEWPL-UHFFFAOYSA-N 0 3 188.271 0.124 20 0 ACADHN CCC1CCN(C(=O)CNC)CC1 37822548 343178417 /nfs/dbraw/zinc/17/84/17/343178417.db2.gz NNFBWMIBGICMQR-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CN(CC1CCCCC1)C(=O)CN 37818831 343178433 /nfs/dbraw/zinc/17/84/33/343178433.db2.gz RPUHAFCYCAQTNT-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN CCC1CCN(C(=O)[C@@H](C)N)CC1 37822532 343178501 /nfs/dbraw/zinc/17/85/01/343178501.db2.gz XVRFATMJYLKQRK-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN CCC1CCN(C(=O)CN)CC1 37822510 343178544 /nfs/dbraw/zinc/17/85/44/343178544.db2.gz PMFRXKUOQMRSLF-UHFFFAOYSA-N 0 3 170.256 0.594 20 0 ACADHN Cc1ncc(CN(C)C(=O)CN)s1 37816139 343178552 /nfs/dbraw/zinc/17/85/52/343178552.db2.gz DRJFRFAPIOSCHW-UHFFFAOYSA-N 0 3 199.279 0.369 20 0 ACADHN CC(C)[C@H](N)C(=O)N1CCC[C@H]1C 37911984 343181023 /nfs/dbraw/zinc/18/10/23/343181023.db2.gz YUECXGJFICRLIN-BDAKNGLRSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H](CNC(=O)c1cn[nH]c1)N(C)C 38089385 343184631 /nfs/dbraw/zinc/18/46/31/343184631.db2.gz MRHQIGSJBWFJCY-SSDOTTSWSA-N 0 3 196.254 0.090 20 0 ACADHN CN1CCN(C[C@@H]2CCCO2)CC1 38846186 343191100 /nfs/dbraw/zinc/19/11/00/343191100.db2.gz XRRHJIQQGPDFNE-JTQLQIEISA-N 0 3 184.283 0.413 20 0 ACADHN CN1CCN(C[C@H]2CCCO2)CC1 38846187 343191106 /nfs/dbraw/zinc/19/11/06/343191106.db2.gz XRRHJIQQGPDFNE-SNVBAGLBSA-N 0 3 184.283 0.413 20 0 ACADHN CN1CCN(CC2CC2)CC1 39080530 343196927 /nfs/dbraw/zinc/19/69/27/343196927.db2.gz LHSHAIPEBMXBTA-UHFFFAOYSA-N 0 3 154.257 0.644 20 0 ACADHN C[C@H](N)C(=O)NCC(C)(C)C 40494329 343219741 /nfs/dbraw/zinc/21/97/41/343219741.db2.gz IDPDGASGTZDVLF-LURJTMIESA-N 0 3 158.245 0.496 20 0 ACADHN CC[C@H](N)C(=O)N1CC[C@@H](C)C1 40724726 343222449 /nfs/dbraw/zinc/22/24/49/343222449.db2.gz HRDDRTKTGPPUIH-SFYZADRCSA-N 0 3 170.256 0.592 20 0 ACADHN CC(C)OCCCNC(=O)[C@H](C)N 40830502 343223248 /nfs/dbraw/zinc/22/32/48/343223248.db2.gz HUIAGSGAEYOCSX-QMMMGPOBSA-N 0 3 188.271 0.265 20 0 ACADHN OCc1cc(N2CCOCC2)ccn1 40863890 343223636 /nfs/dbraw/zinc/22/36/36/343223636.db2.gz QIUKZHLIXUTWLL-UHFFFAOYSA-N 0 3 194.234 0.411 20 0 ACADHN C[C@H]1CCCN1C(=O)C(C)(C)N 40924252 343223973 /nfs/dbraw/zinc/22/39/73/343223973.db2.gz PQIJBDHSCWTTFJ-ZETCQYMHSA-N 0 3 170.256 0.735 20 0 ACADHN CNC(=O)CN1CCCC[C@@H]1C 41362572 343233329 /nfs/dbraw/zinc/23/33/29/343233329.db2.gz CMJPWAFXWOZGRS-QMMMGPOBSA-N 0 3 170.256 0.607 20 0 ACADHN CNC(=O)[C@@H](C)N1CCCCCC1 41363203 343233627 /nfs/dbraw/zinc/23/36/27/343233627.db2.gz DUGNWGRGSCKFLN-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CN(C)C(=O)CN1CCCCCC1 41363191 343233658 /nfs/dbraw/zinc/23/36/58/343233658.db2.gz HENAMSAYXIUOAH-UHFFFAOYSA-N 0 3 184.283 0.951 20 0 ACADHN CNC(=O)[C@H](C)N1CCCCCC1 41363201 343233691 /nfs/dbraw/zinc/23/36/91/343233691.db2.gz DUGNWGRGSCKFLN-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN COCCSCCN(C)C 41366476 343234143 /nfs/dbraw/zinc/23/41/43/343234143.db2.gz OYTMGVYWEKLSBG-UHFFFAOYSA-N 0 3 163.286 0.928 20 0 ACADHN CNC(=O)CN1CCCC[C@H]1C 41362570 343233161 /nfs/dbraw/zinc/23/31/61/343233161.db2.gz CMJPWAFXWOZGRS-MRVPVSSYSA-N 0 3 170.256 0.607 20 0 ACADHN COCCN(C)C[C@H](C)C(=O)OC 42338028 343240711 /nfs/dbraw/zinc/24/07/11/343240711.db2.gz NQNZLZPKVJQTBC-QMMMGPOBSA-N 0 3 189.255 0.374 20 0 ACADHN CN(CCCO)C[C@@H]1CCCO1 42338145 343240718 /nfs/dbraw/zinc/24/07/18/343240718.db2.gz IPOQSMIBWFBBBJ-VIFPVBQESA-N 0 3 173.256 0.480 20 0 ACADHN CN(CCCO)C[C@@H]1CCCCO1 42372366 343241155 /nfs/dbraw/zinc/24/11/55/343241155.db2.gz JRSRSYZFWMQGAR-JTQLQIEISA-N 0 3 187.283 0.870 20 0 ACADHN C[C@H](N)C(=O)NC(C1CC1)C1CC1 42372478 343241201 /nfs/dbraw/zinc/24/12/01/343241201.db2.gz KBOJIVQMNRWIJN-LURJTMIESA-N 0 3 182.267 0.638 20 0 ACADHN CC(C)[C@H](N)C(=O)Nc1cc[nH]n1 42414746 343241658 /nfs/dbraw/zinc/24/16/58/343241658.db2.gz GJQDKAQBGIMAIH-ZETCQYMHSA-N 0 3 182.227 0.332 20 0 ACADHN CN(C)CCSCC(=O)N(C)C 41364783 343234203 /nfs/dbraw/zinc/23/42/03/343234203.db2.gz LLSRYGRDHUYJNJ-UHFFFAOYSA-N 0 3 190.312 0.369 20 0 ACADHN CC[C@@H]1CO[C@H](C)CN1C[C@@H](C)O 42451405 343243445 /nfs/dbraw/zinc/24/34/45/343243445.db2.gz ZGTOLZKJMRILCE-OPRDCNLKSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H](O)CN(C)CCOC 42459990 343243472 /nfs/dbraw/zinc/24/34/72/343243472.db2.gz ONAIDJFTOTYHKQ-QMMMGPOBSA-N 0 3 161.245 0.336 20 0 ACADHN C[C@H](O)CN1CCOCC1(C)C 42462728 343243955 /nfs/dbraw/zinc/24/39/55/343243955.db2.gz XKOYVVBRPVBCJH-QMMMGPOBSA-N 0 3 173.256 0.478 20 0 ACADHN OCCN1CCN(CC2CC2)CC1 42490915 343244317 /nfs/dbraw/zinc/24/43/17/343244317.db2.gz UQHHBGRTMGOAKC-UHFFFAOYSA-N 0 3 184.283 0.006 20 0 ACADHN CN1CC[C@H](NCc2ccccn2)C1 42544819 343245738 /nfs/dbraw/zinc/24/57/38/343245738.db2.gz SLFSMJLXSJHUSP-NSHDSACASA-N 0 3 191.278 0.875 20 0 ACADHN C[C@H]1CCCC[C@H]1CNC(=O)CN 42868030 343250261 /nfs/dbraw/zinc/25/02/61/343250261.db2.gz BEVUYNBWTZUYPW-IUCAKERBSA-N 0 3 184.283 0.888 20 0 ACADHN C[C@H](N)C(=O)NC[C@H]1CCCCO1 42823318 343250264 /nfs/dbraw/zinc/25/02/64/343250264.db2.gz PSBSBUZJVCTHAG-JGVFFNPUSA-N 0 3 186.255 0.019 20 0 ACADHN CC[C@H](C)N(C)CC(N)=O 43639147 343257841 /nfs/dbraw/zinc/25/78/41/343257841.db2.gz MQXOJAGQJJBMQO-LURJTMIESA-N 0 3 144.218 0.202 20 0 ACADHN C[C@@H](O)CCN(C)C[C@@H]1CCCO1 44171218 343261422 /nfs/dbraw/zinc/26/14/22/343261422.db2.gz GAOJUSCVVJMUIU-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@H](O)CCN1CCOC(C)(C)C1 44159977 343261431 /nfs/dbraw/zinc/26/14/31/343261431.db2.gz XLWHQCSCIDUDFZ-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN COCCN(C)CC[C@@H](C)O 44177606 343261468 /nfs/dbraw/zinc/26/14/68/343261468.db2.gz XOYXYLNXBBNFPC-MRVPVSSYSA-N 0 3 161.245 0.336 20 0 ACADHN CCNCC(=O)Nc1cc(C)nn1C 44297764 343263652 /nfs/dbraw/zinc/26/36/52/343263652.db2.gz VNWSGVKNNKSYCX-UHFFFAOYSA-N 0 3 196.254 0.277 20 0 ACADHN CNC(=O)CCNCc1ccsc1 44987891 343270182 /nfs/dbraw/zinc/27/01/82/343270182.db2.gz DZWROLKFSXRPHQ-UHFFFAOYSA-N 0 3 198.291 0.974 20 0 ACADHN CC1CCC(N(C)CC(N)=O)CC1 48583432 343274598 /nfs/dbraw/zinc/27/45/98/343274598.db2.gz IMJFJACVAULLEO-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN Cc1ccc(CNC(=O)CN)s1 50226555 343280224 /nfs/dbraw/zinc/28/02/24/343280224.db2.gz WUEIOFYNKOEHGK-UHFFFAOYSA-N 0 3 184.264 0.631 20 0 ACADHN CNCC(=O)N1CCC[C@@H](C)[C@H]1C 50565641 343284736 /nfs/dbraw/zinc/28/47/36/343284736.db2.gz IUIFDTOJOMGWNA-RKDXNWHRSA-N 0 3 184.283 0.853 20 0 ACADHN OC[C@H]1CCN(CCn2cccn2)C1 51887116 343294979 /nfs/dbraw/zinc/29/49/79/343294979.db2.gz WKCYJLLWGKHABX-JTQLQIEISA-N 0 3 195.266 0.197 20 0 ACADHN OC[C@@H]1CCN(CCn2cccn2)C1 51887117 343295047 /nfs/dbraw/zinc/29/50/47/343295047.db2.gz WKCYJLLWGKHABX-SNVBAGLBSA-N 0 3 195.266 0.197 20 0 ACADHN C[C@H](N)C(=O)NC1CCC1 52210858 343302417 /nfs/dbraw/zinc/30/24/17/343302417.db2.gz HQYFRSKJRPSVGQ-YFKPBYRVSA-N 0 3 142.202 0.002 20 0 ACADHN CC(C)[C@@H](N)C(=O)NC1CCC1 52210946 343302419 /nfs/dbraw/zinc/30/24/19/343302419.db2.gz RCXCFTIFGLYCPH-MRVPVSSYSA-N 0 3 170.256 0.638 20 0 ACADHN Cc1ccc(CNC(=O)C(C)(C)N)o1 53038205 343312553 /nfs/dbraw/zinc/31/25/53/343312553.db2.gz UGGUTAZHLLQSKM-UHFFFAOYSA-N 0 3 196.250 0.942 20 0 ACADHN CC(C)N(C)CCNCc1cc[nH]n1 54111223 343318027 /nfs/dbraw/zinc/31/80/27/343318027.db2.gz OBDOSZJSPHWJKC-UHFFFAOYSA-N 0 3 196.298 0.840 20 0 ACADHN CC[C@H](C)NCc1cn(C)nn1 54858373 343330952 /nfs/dbraw/zinc/33/09/52/343330952.db2.gz ZWUMGSGDPQAQQW-ZETCQYMHSA-N 0 3 168.244 0.703 20 0 ACADHN CCCCNCc1cn(C)nn1 54858491 343330957 /nfs/dbraw/zinc/33/09/57/343330957.db2.gz ZJLCCRDYCZZYCS-UHFFFAOYSA-N 0 3 168.244 0.705 20 0 ACADHN CNC(=O)c1ccc2c(c1)CNC2 58084349 343339118 /nfs/dbraw/zinc/33/91/18/343339118.db2.gz KQXJFSLXGQBRFO-UHFFFAOYSA-N 0 3 176.219 0.649 20 0 ACADHN C[C@H](C(N)=O)N(C)CC1CC1 58006009 343338620 /nfs/dbraw/zinc/33/86/20/343338620.db2.gz VMPDZAPIUCZCJV-ZCFIWIBFSA-N 0 3 156.229 0.202 20 0 ACADHN CC(C)CN(C)[C@@H](C)C(N)=O 59894440 343348375 /nfs/dbraw/zinc/34/83/75/343348375.db2.gz FEZOTDBWICDIIK-ZETCQYMHSA-N 0 3 158.245 0.448 20 0 ACADHN CN(CC1CCC1)C(=O)C(C)(C)N 61479844 343356613 /nfs/dbraw/zinc/35/66/13/343356613.db2.gz QYPGXBHIVKKKLG-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN CN(CC1CCC1)C(=O)[C@@H]1C[C@@H]1N 61453778 343356657 /nfs/dbraw/zinc/35/66/57/343356657.db2.gz VGLAOAPFQOGDKT-BDAKNGLRSA-N 0 3 182.267 0.592 20 0 ACADHN CC1(C)CCN(C(=O)[C@@H]2C[C@@H]2N)CC1 61818606 343363913 /nfs/dbraw/zinc/36/39/13/343363913.db2.gz TZLQZTKTMPTQJO-BDAKNGLRSA-N 0 3 196.294 0.982 20 0 ACADHN CN(C)c1ccnc(C(=N)N)c1 61814033 343363932 /nfs/dbraw/zinc/36/39/32/343363932.db2.gz LDKWDFAQBMTNSD-UHFFFAOYSA-N 0 3 164.212 0.432 20 0 ACADHN C[C@H](O)CCN1CCCOCC1 61932825 343367641 /nfs/dbraw/zinc/36/76/41/343367641.db2.gz YEOAKZXIIAREJG-VIFPVBQESA-N 0 3 173.256 0.480 20 0 ACADHN CN1C(=O)C[C@H](N)[C@@H]1c1cccs1 62208976 343372460 /nfs/dbraw/zinc/37/24/60/343372460.db2.gz RYNHLLRUCAHBAS-IMTBSYHQSA-N 0 3 196.275 0.979 20 0 ACADHN CC(C)[C@H]1CN(C(=O)N(C)C)CCN1 62568473 343376678 /nfs/dbraw/zinc/37/66/78/343376678.db2.gz NDDVBBXXPQUMAG-SECBINFHSA-N 0 3 199.298 0.598 20 0 ACADHN CC(C)=CCOC1CNC1 62809827 343380909 /nfs/dbraw/zinc/38/09/09/343380909.db2.gz XWLKBJFYMNFZPG-UHFFFAOYSA-N 0 3 141.214 0.941 20 0 ACADHN CSCCNCc1ccnn1C 68890417 343412791 /nfs/dbraw/zinc/41/27/91/343412791.db2.gz CPNLKLUMRKGEKE-UHFFFAOYSA-N 0 3 185.296 0.873 20 0 ACADHN CCN[C@H]1CCCS(=O)(=O)C1 68939233 343415743 /nfs/dbraw/zinc/41/57/43/343415743.db2.gz PJGLKQKNHNJFJE-ZETCQYMHSA-N 0 3 177.269 0.173 20 0 ACADHN CC(C)N[C@H]1CCCS(=O)(=O)C1 68939267 343415752 /nfs/dbraw/zinc/41/57/52/343415752.db2.gz WYEWERDIORCRKP-QMMMGPOBSA-N 0 3 191.296 0.562 20 0 ACADHN CCN[C@@H]1CCCS(=O)(=O)C1 68939231 343415764 /nfs/dbraw/zinc/41/57/64/343415764.db2.gz PJGLKQKNHNJFJE-SSDOTTSWSA-N 0 3 177.269 0.173 20 0 ACADHN C[C@@H]1CCCN(CC(=O)[O-])[C@@H]1C[NH3+] 69727302 343438160 /nfs/dbraw/zinc/43/81/60/343438160.db2.gz DCWSBLVWJQYWFT-HTQZYQBOSA-N 0 3 186.255 0.130 20 0 ACADHN NCc1cnn([C@@H]2CCOC2)c1 69624897 343426961 /nfs/dbraw/zinc/42/69/61/343426961.db2.gz FWKNFCYUJUPPCM-MRVPVSSYSA-N 0 3 167.212 0.303 20 0 ACADHN COC(=O)CCN(C)[C@@H]1CCOC1 69624651 343427193 /nfs/dbraw/zinc/42/71/93/343427193.db2.gz ZWJAWDIGTKVLKO-MRVPVSSYSA-N 0 3 187.239 0.270 20 0 ACADHN C[C@@H]1C[C@H](NCc2nc[nH]n2)CCO1 69889263 343450842 /nfs/dbraw/zinc/45/08/42/343450842.db2.gz CZERCYDQMOOUFP-HTQZYQBOSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@@H]1C[C@H](NCc2nnc[nH]2)CCO1 69889263 343450843 /nfs/dbraw/zinc/45/08/43/343450843.db2.gz CZERCYDQMOOUFP-HTQZYQBOSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@H]1C[C@@H](NCc2nc[nH]n2)CCO1 69889271 343450879 /nfs/dbraw/zinc/45/08/79/343450879.db2.gz CZERCYDQMOOUFP-YUMQZZPRSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@H]1C[C@@H](NCc2nnc[nH]2)CCO1 69889271 343450880 /nfs/dbraw/zinc/45/08/80/343450880.db2.gz CZERCYDQMOOUFP-YUMQZZPRSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@H](C(N)=O)N(C)CC1CCCC1 70158354 343475818 /nfs/dbraw/zinc/47/58/18/343475818.db2.gz RLEGRIKEMGDOJO-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN NC1CN(Cc2ccc(F)cc2)C1 70558182 343490073 /nfs/dbraw/zinc/49/00/73/343490073.db2.gz CUGZIPMEWMUSGZ-UHFFFAOYSA-N 0 3 180.226 0.969 20 0 ACADHN CC[C@@](C)(N)c1nccc(N)n1 70628882 343508172 /nfs/dbraw/zinc/50/81/72/343508172.db2.gz NVWJZQSXRAZQMQ-MRVPVSSYSA-N 0 3 166.228 0.643 20 0 ACADHN CC(C)(N)c1nccc(N)n1 70628879 343508259 /nfs/dbraw/zinc/50/82/59/343508259.db2.gz KNLXHHLRVSKQHW-UHFFFAOYSA-N 0 3 152.201 0.253 20 0 ACADHN CC[C@](C)(N)c1nccc(N)n1 70628881 343508310 /nfs/dbraw/zinc/50/83/10/343508310.db2.gz NVWJZQSXRAZQMQ-QMMMGPOBSA-N 0 3 166.228 0.643 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1CCC[C@H]1C 70834083 343535361 /nfs/dbraw/zinc/53/53/61/343535361.db2.gz BYJGWGHWSNEYKX-BWZBUEFSSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@H]1CCC[C@@H]1NC(=O)[C@@H](C)N 70834079 343535373 /nfs/dbraw/zinc/53/53/73/343535373.db2.gz BYJGWGHWSNEYKX-RNJXMRFFSA-N 0 3 170.256 0.638 20 0 ACADHN Nc1ccn(CCN2CCCC2)n1 70945638 343542622 /nfs/dbraw/zinc/54/26/22/343542622.db2.gz MZUFHUDESMCEBD-UHFFFAOYSA-N 0 3 180.255 0.561 20 0 ACADHN Cc1cc(=O)[n-]c([C@H](C)C[NH3+])n1 70949322 343543662 /nfs/dbraw/zinc/54/36/62/343543662.db2.gz AAGBDXDTECMVMF-RXMQYKEDSA-N 0 3 167.212 0.141 20 0 ACADHN Cc1cc(=O)[n-]c(C[C@H](C)[NH3+])n1 70949171 343543674 /nfs/dbraw/zinc/54/36/74/343543674.db2.gz LZCAGKAHFHDQEV-YFKPBYRVSA-N 0 3 167.212 0.380 20 0 ACADHN Cc1cc(=O)[n-]c([C@@H](C)C[NH3+])n1 70949319 343543700 /nfs/dbraw/zinc/54/37/00/343543700.db2.gz AAGBDXDTECMVMF-YFKPBYRVSA-N 0 3 167.212 0.141 20 0 ACADHN CCNCC(=O)Nc1cnccc1C 70959208 343544973 /nfs/dbraw/zinc/54/49/73/343544973.db2.gz UOQJVKSFTIKVKD-UHFFFAOYSA-N 0 3 193.250 0.938 20 0 ACADHN CN[C@@H](C)C(=O)Nc1cnccc1C 70959377 343544993 /nfs/dbraw/zinc/54/49/93/343544993.db2.gz LXPVKWYAMBQWRP-QMMMGPOBSA-N 0 3 193.250 0.936 20 0 ACADHN CN(C)CCSc1nc[nH]n1 72262976 343567940 /nfs/dbraw/zinc/56/79/40/343567940.db2.gz ZFEKXKIXBFPFOT-UHFFFAOYSA-N 0 3 172.257 0.458 20 0 ACADHN Cn1cccc1CN1CCC(O)CC1 74246076 343571659 /nfs/dbraw/zinc/57/16/59/343571659.db2.gz GCOVBACRQXBOLL-UHFFFAOYSA-N 0 3 194.278 0.982 20 0 ACADHN COc1cccc(CN2CC(N)C2)c1 74268882 343571685 /nfs/dbraw/zinc/57/16/85/343571685.db2.gz FYJOIUSARDZZNK-UHFFFAOYSA-N 0 3 192.262 0.838 20 0 ACADHN CC(C)(C)CCNC(=O)CN 74342104 343572912 /nfs/dbraw/zinc/57/29/12/343572912.db2.gz RZLLTINEUXOORA-UHFFFAOYSA-N 0 3 158.245 0.498 20 0 ACADHN CNCc1nc2cccnc2n1C 82529393 343605889 /nfs/dbraw/zinc/60/58/89/343605889.db2.gz SHSWWTFEUIUGFB-UHFFFAOYSA-N 0 3 176.223 0.688 20 0 ACADHN NC1CN(C(=O)c2cccc(F)c2)C1 82590443 343607154 /nfs/dbraw/zinc/60/71/54/343607154.db2.gz VOIFSIPWSUZTBX-UHFFFAOYSA-N 0 3 194.209 0.609 20 0 ACADHN NC1CN(Cc2cccc(F)c2)C1 82595698 343607673 /nfs/dbraw/zinc/60/76/73/343607673.db2.gz MNWUMBVEUTWSEB-UHFFFAOYSA-N 0 3 180.226 0.969 20 0 ACADHN Cc1n[nH]c(C)c1CNCC(C)(C)O 82687418 343610249 /nfs/dbraw/zinc/61/02/49/343610249.db2.gz YLRHLCGTMRJBGX-UHFFFAOYSA-N 0 3 197.282 0.887 20 0 ACADHN Cn1cncc1CNCC(C)(C)O 82687382 343610272 /nfs/dbraw/zinc/61/02/72/343610272.db2.gz QYDSBOURYSZAGX-UHFFFAOYSA-N 0 3 183.255 0.281 20 0 ACADHN CC[C@@](C)(O)CNCc1cnn(C)c1 82687148 343610276 /nfs/dbraw/zinc/61/02/76/343610276.db2.gz QCYIDAJOEYERDS-SNVBAGLBSA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@@](C)(O)CNCc1cncn1C 82687162 343610284 /nfs/dbraw/zinc/61/02/84/343610284.db2.gz JNPDTFOHMCPNSZ-SNVBAGLBSA-N 0 3 197.282 0.671 20 0 ACADHN CCCN1CCCC[C@@H]1C(N)=O 83428502 343619710 /nfs/dbraw/zinc/61/97/10/343619710.db2.gz BFVPCZHHNKGMDS-MRVPVSSYSA-N 0 3 170.256 0.736 20 0 ACADHN Cc1ncsc1CNCCCO 84149182 343631270 /nfs/dbraw/zinc/63/12/70/343631270.db2.gz UZFPQEVWLRDHKL-UHFFFAOYSA-N 0 3 186.280 0.924 20 0 ACADHN Cc1ccc([O-])c(C[NH2+][C@@H](C)CO)n1 85447356 343644154 /nfs/dbraw/zinc/64/41/54/343644154.db2.gz OYLQPCXODLHKGY-QMMMGPOBSA-N 0 3 196.250 0.566 20 0 ACADHN CC[C@H](N)C(=O)N1CCC(C)(C)C1 87253552 343658688 /nfs/dbraw/zinc/65/86/88/343658688.db2.gz WHDHIHQMYIHIBO-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H](N)C(=O)NC[C@]1(C)CCCO1 87253933 343659108 /nfs/dbraw/zinc/65/91/08/343659108.db2.gz HTPCAKZDCZYXLT-CBAPKCEASA-N 0 3 186.255 0.019 20 0 ACADHN NCc1ncccc1-n1cncn1 86498414 343652026 /nfs/dbraw/zinc/65/20/26/343652026.db2.gz LZUKDUSHJRXIBS-UHFFFAOYSA-N 0 3 175.195 0.121 20 0 ACADHN Cc1c(CN[C@H](C)CO)cnn1C 86551928 343652473 /nfs/dbraw/zinc/65/24/73/343652473.db2.gz IZWQTRFXQPUJFC-SSDOTTSWSA-N 0 3 183.255 0.199 20 0 ACADHN Cc1cc(CN[C@H]2CCOC2)n(C)n1 87787198 343664612 /nfs/dbraw/zinc/66/46/12/343664612.db2.gz BFTPZNTZZPGNKG-VIFPVBQESA-N 0 3 195.266 0.607 20 0 ACADHN C[C@@H]1CCN(C(=O)C2(N)CCC2)C1 88050750 343667076 /nfs/dbraw/zinc/66/70/76/343667076.db2.gz RPQKLWPEYPHEAN-MRVPVSSYSA-N 0 3 182.267 0.736 20 0 ACADHN NC1(C(=O)NCC2CCC2)CCC1 88050265 343667470 /nfs/dbraw/zinc/66/74/70/343667470.db2.gz GLVGUHWPXOMFKA-UHFFFAOYSA-N 0 3 182.267 0.784 20 0 ACADHN C[C@@H]1C[C@@H](NC(=O)C2CC2)CCN1C 88055904 343667612 /nfs/dbraw/zinc/66/76/12/343667612.db2.gz QTFJWRPOLPYOQZ-SCZZXKLOSA-N 0 3 196.294 0.995 20 0 ACADHN c1cn(CCN2CCCCC2)nn1 90187890 343674329 /nfs/dbraw/zinc/67/43/29/343674329.db2.gz XVVHCZGGDYEPJH-UHFFFAOYSA-N 0 3 180.255 0.764 20 0 ACADHN Cc1ccc(OC2CNC2)cn1 90394319 343675172 /nfs/dbraw/zinc/67/51/72/343675172.db2.gz ZHIBSGKGUCMJCQ-UHFFFAOYSA-N 0 3 164.208 0.741 20 0 ACADHN CN1CCC[C@H](c2nnc(CN)o2)C1 95828874 343687665 /nfs/dbraw/zinc/68/76/65/343687665.db2.gz KIJOEINXLGTIOC-ZETCQYMHSA-N 0 3 196.254 0.338 20 0 ACADHN Cc1n[nH]cc1CN[C@@H](C)CCO 96811640 343700667 /nfs/dbraw/zinc/70/06/67/343700667.db2.gz ALBJAXJMOVNJSQ-ZETCQYMHSA-N 0 3 183.255 0.579 20 0 ACADHN Cc1cc2n(n1)CCC[C@H]2N 107325228 343749301 /nfs/dbraw/zinc/74/93/01/343749301.db2.gz XXDGIZQGCTUTJI-SSDOTTSWSA-N 0 3 151.213 0.985 20 0 ACADHN CCN(C)C(=O)NCCN1CCCC1 121956631 343777293 /nfs/dbraw/zinc/77/72/93/343777293.db2.gz CVNWACMTEWWYTP-UHFFFAOYSA-N 0 3 199.298 0.744 20 0 ACADHN CS[C@H](C)CNC(=O)[C@H](C)N 122381412 343779213 /nfs/dbraw/zinc/77/92/13/343779213.db2.gz LZIRRFYYEMUTPV-RITPCOANSA-N 0 3 176.285 0.201 20 0 ACADHN CC[C@H](N)C(=O)NC[C@@H](C)SC 122352754 343779239 /nfs/dbraw/zinc/77/92/39/343779239.db2.gz AOIKKQVIHWHMRF-RQJHMYQMSA-N 0 3 190.312 0.591 20 0 ACADHN COCCN(CC=C(C)C)CCO 122641209 343780465 /nfs/dbraw/zinc/78/04/65/343780465.db2.gz NOXRNOLRXRVBBZ-UHFFFAOYSA-N 0 3 187.283 0.893 20 0 ACADHN c1ncc(COC2CNC2)s1 117049477 343772466 /nfs/dbraw/zinc/77/24/66/343772466.db2.gz GGTGJLISODKPEK-UHFFFAOYSA-N 0 3 170.237 0.632 20 0 ACADHN C[C@@H](C(=O)[O-])[N@H+]1C[C@@H](CN)C[C@H]1C 126900959 343799562 /nfs/dbraw/zinc/79/95/62/343799562.db2.gz NYCOFZXKLTZFLE-GJMOJQLCSA-N 0 3 186.255 0.129 20 0 ACADHN Cc1noc(C(C)(C)CN)n1 124974656 343788453 /nfs/dbraw/zinc/78/84/53/343788453.db2.gz NLIJXQFEQWQNAD-UHFFFAOYSA-N 0 3 155.201 0.614 20 0 ACADHN CNC(=O)N1C[C@H](C)NC[C@@H]1C 125318798 343790224 /nfs/dbraw/zinc/79/02/24/343790224.db2.gz ZFLPPFCCHNTIBR-BQBZGAKWSA-N 0 3 171.244 0.008 20 0 ACADHN C[C@H](NCc1cc[nH]n1)[C@@H]1CCOC1 127027307 343803189 /nfs/dbraw/zinc/80/31/89/343803189.db2.gz SEJAUXSQIOQFFJ-DTWKUNHWSA-N 0 3 195.266 0.924 20 0 ACADHN C[C@@H](NCc1cc[nH]n1)[C@@H]1CCOC1 127027541 343803245 /nfs/dbraw/zinc/80/32/45/343803245.db2.gz SEJAUXSQIOQFFJ-RKDXNWHRSA-N 0 3 195.266 0.924 20 0 ACADHN Cc1ncccc1CN1CC[C@@H](O)C1 128092453 343824465 /nfs/dbraw/zinc/82/44/65/343824465.db2.gz IAKCKPLPDOTDRY-LLVKDONJSA-N 0 3 192.262 0.957 20 0 ACADHN CNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C 128608469 343834541 /nfs/dbraw/zinc/83/45/41/343834541.db2.gz ZFANZKTUCMVMAN-BDAKNGLRSA-N 0 3 197.282 0.494 20 0 ACADHN C[C@@H]1CC[C@H](NC(=O)CN)C1 129025357 343842555 /nfs/dbraw/zinc/84/25/55/343842555.db2.gz BWYTVWIHTLCPOW-RQJHMYQMSA-N 0 3 156.229 0.250 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1CC[C@@H](C)C1 129056893 343843092 /nfs/dbraw/zinc/84/30/92/343843092.db2.gz SPSKULITYHEDCS-GJMOJQLCSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@H](N)C(=O)N[C@H]1CC[C@@H](C)C1 129056494 343843094 /nfs/dbraw/zinc/84/30/94/343843094.db2.gz SPSKULITYHEDCS-CSMHCCOUSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@H]1CC[C@H](NC(=O)[C@H](C)N)C1 129056688 343843138 /nfs/dbraw/zinc/84/31/38/343843138.db2.gz SPSKULITYHEDCS-FXQIFTODSA-N 0 3 170.256 0.638 20 0 ACADHN Cn1nncc1CN[C@H]1CC1(C)C 129722183 343855265 /nfs/dbraw/zinc/85/52/65/343855265.db2.gz WYXSUEJCPXCVCA-QMMMGPOBSA-N 0 3 180.255 0.703 20 0 ACADHN Cn1nncc1CNC1CC1 129676796 343854689 /nfs/dbraw/zinc/85/46/89/343854689.db2.gz WVLXHVONSUCZQP-UHFFFAOYSA-N 0 3 152.201 0.067 20 0 ACADHN Cn1nncc1CNC1CCCC1 129678365 343854743 /nfs/dbraw/zinc/85/47/43/343854743.db2.gz VQOSHMNTTCWLMN-UHFFFAOYSA-N 0 3 180.255 0.847 20 0 ACADHN CSCCNCc1cnnn1C 129688180 343854781 /nfs/dbraw/zinc/85/47/81/343854781.db2.gz LAEQOIWOULXHRE-UHFFFAOYSA-N 0 3 186.284 0.268 20 0 ACADHN C(CC1CC1)OC1CNC1 21022207 166047258 /nfs/dbraw/zinc/04/72/58/166047258.db2.gz WCKUOMZIXCBFMZ-UHFFFAOYSA-N 0 3 141.214 0.775 20 0 ACADHN C1CC(OC2CNC2)CCO1 68890388 166086130 /nfs/dbraw/zinc/08/61/30/166086130.db2.gz MSFWSELRJMZGQL-UHFFFAOYSA-N 0 3 157.213 0.154 20 0 ACADHN C1CC[C@]2(CCN2)NC1 91690574 166093871 /nfs/dbraw/zinc/09/38/71/166093871.db2.gz CCZSNYQDQKCBNM-ZETCQYMHSA-N 0 3 126.203 0.450 20 0 ACADHN C1CC[C@@]2(CCN2)NC1 91690573 166095122 /nfs/dbraw/zinc/09/51/22/166095122.db2.gz CCZSNYQDQKCBNM-SSDOTTSWSA-N 0 3 126.203 0.450 20 0 ACADHN C1CN(C[C@H]2CCOC2)CCO1 307573499 166096026 /nfs/dbraw/zinc/09/60/26/166096026.db2.gz FSUMIRODPVMNCP-SECBINFHSA-N 0 3 171.240 0.355 20 0 ACADHN C1CN(C[C@@H]2CCOC2)CCO1 307573503 166096277 /nfs/dbraw/zinc/09/62/77/166096277.db2.gz FSUMIRODPVMNCP-VIFPVBQESA-N 0 3 171.240 0.355 20 0 ACADHN C1CN(CC2CC2)CCO1 18855579 166096284 /nfs/dbraw/zinc/09/62/84/166096284.db2.gz OGKPGFAXMGTFDJ-UHFFFAOYSA-N 0 3 141.214 0.729 20 0 ACADHN C1CO[C@@H](CN2CCCOCC2)C1 306740333 166099274 /nfs/dbraw/zinc/09/92/74/166099274.db2.gz CADPKFQYYFJYIE-SNVBAGLBSA-N 0 3 185.267 0.888 20 0 ACADHN C1CO[C@H](CN2CCCOCC2)C1 336631375 166099348 /nfs/dbraw/zinc/09/93/48/166099348.db2.gz CADPKFQYYFJYIE-JTQLQIEISA-N 0 3 185.267 0.888 20 0 ACADHN C1COCCN([C@H]2CCOC2)C1 336552582 166100241 /nfs/dbraw/zinc/10/02/41/166100241.db2.gz NBSQALKXTLEPHS-VIFPVBQESA-N 0 3 171.240 0.498 20 0 ACADHN C1COCCN([C@@H]2CCOC2)C1 336552581 166100636 /nfs/dbraw/zinc/10/06/36/166100636.db2.gz NBSQALKXTLEPHS-SECBINFHSA-N 0 3 171.240 0.498 20 0 ACADHN C1C[C@@H](CN2CCOCC23CC3)CO1 334239761 166102952 /nfs/dbraw/zinc/10/29/52/166102952.db2.gz NVENDJMFCBAUAG-JTQLQIEISA-N 0 3 197.278 0.888 20 0 ACADHN C1CSC(SC2CNC2)=N1 145013020 166103290 /nfs/dbraw/zinc/10/32/90/166103290.db2.gz HMPBGCLTRHBVIC-UHFFFAOYSA-N 0 3 174.294 0.794 20 0 ACADHN C1C[C@H](CN2CCOCC23CC3)CO1 334239766 166107480 /nfs/dbraw/zinc/10/74/80/166107480.db2.gz NVENDJMFCBAUAG-SNVBAGLBSA-N 0 3 197.278 0.888 20 0 ACADHN C=CC(=O)N(CCC)CCN(C)C 45707842 166153225 /nfs/dbraw/zinc/15/32/25/166153225.db2.gz NXOWWGPAXHRNCW-UHFFFAOYSA-N 0 3 184.283 0.973 20 0 ACADHN C=CC(=O)NC1CCN(CC)CC1 38098070 166154925 /nfs/dbraw/zinc/15/49/25/166154925.db2.gz YAVUHNFYYUYKTQ-UHFFFAOYSA-N 0 3 182.267 0.773 20 0 ACADHN C=CC(=O)NCCN1CCCCC1 49575228 166155733 /nfs/dbraw/zinc/15/57/33/166155733.db2.gz QZJYBIRFWUJPSA-UHFFFAOYSA-N 0 3 182.267 0.775 20 0 ACADHN C=CC(=O)N[C@H]1CN2CCC1CC2 36334120 166155767 /nfs/dbraw/zinc/15/57/67/166155767.db2.gz MRQNFVPHYRFOSB-VIFPVBQESA-N 0 3 180.251 0.383 20 0 ACADHN C=CC(=O)N[C@H]1CCN(C2CC2)C1 44724616 166156476 /nfs/dbraw/zinc/15/64/76/166156476.db2.gz DEAPSSRFJIOFOA-QMMMGPOBSA-N 0 3 180.251 0.525 20 0 ACADHN C=CC(=O)NC[C@H](C)N(C)C 38089062 166156606 /nfs/dbraw/zinc/15/66/06/166156606.db2.gz SLGDEOFMEQZRLN-ZETCQYMHSA-N 0 3 156.229 0.239 20 0 ACADHN C=CC(=O)NC[C@H]1CCCN(C)C1 44538093 166156614 /nfs/dbraw/zinc/15/66/14/166156614.db2.gz OEJSZUNBZDOUAX-SECBINFHSA-N 0 3 182.267 0.630 20 0 ACADHN C=CC(=O)N[C@@H]1CN2CCC1CC2 36334119 166156645 /nfs/dbraw/zinc/15/66/45/166156645.db2.gz MRQNFVPHYRFOSB-SECBINFHSA-N 0 3 180.251 0.383 20 0 ACADHN C=CC(=O)NC[C@@H]1CCCN(C)C1 44538095 166156662 /nfs/dbraw/zinc/15/66/62/166156662.db2.gz OEJSZUNBZDOUAX-VIFPVBQESA-N 0 3 182.267 0.630 20 0 ACADHN C=CC(=O)N[C@@H]1CCN(C2CC2)C1 44724614 166156909 /nfs/dbraw/zinc/15/69/09/166156909.db2.gz DEAPSSRFJIOFOA-MRVPVSSYSA-N 0 3 180.251 0.525 20 0 ACADHN C=CC(=O)NC[C@@H](C)N(C)C 38089063 166157216 /nfs/dbraw/zinc/15/72/16/166157216.db2.gz SLGDEOFMEQZRLN-SSDOTTSWSA-N 0 3 156.229 0.239 20 0 ACADHN CNCC(=O)N1C[C@H]2CCC[C@H]2C1 133130511 343912023 /nfs/dbraw/zinc/91/20/23/343912023.db2.gz YLUPVAHFFVOAOE-DTORHVGOSA-N 0 3 182.267 0.464 20 0 ACADHN CC1(C)CN(c2ncccn2)CCN1 133197471 343913326 /nfs/dbraw/zinc/91/33/26/343913326.db2.gz VERXSZMFEVTNRX-UHFFFAOYSA-N 0 3 192.266 0.665 20 0 ACADHN CC(=O)CN1CC[C@H](C)C1 40718963 166244017 /nfs/dbraw/zinc/24/40/17/166244017.db2.gz JFDPNBKTMHUMCD-ZETCQYMHSA-N 0 3 141.214 0.917 20 0 ACADHN CC(=O)CN1CC[C@@H](C)C1 40718962 166244142 /nfs/dbraw/zinc/24/41/42/166244142.db2.gz JFDPNBKTMHUMCD-SSDOTTSWSA-N 0 3 141.214 0.917 20 0 ACADHN CC(=O)CN(C)CC1CC1 37925956 166245073 /nfs/dbraw/zinc/24/50/73/166245073.db2.gz AEEBHCHURHSTLX-UHFFFAOYSA-N 0 3 141.214 0.917 20 0 ACADHN CC(=O)C[C@H]1CSCCN1 76593466 166247204 /nfs/dbraw/zinc/24/72/04/166247204.db2.gz ZTTKUYTUMTYMBX-ZETCQYMHSA-N 0 3 159.254 0.671 20 0 ACADHN CC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C 306411585 166251214 /nfs/dbraw/zinc/25/12/14/166251214.db2.gz KJQRYKIIRAARDC-WPRPVWTQSA-N 0 3 184.283 0.805 20 0 ACADHN CC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C 306411584 166251501 /nfs/dbraw/zinc/25/15/01/166251501.db2.gz KJQRYKIIRAARDC-WCBMZHEXSA-N 0 3 184.283 0.805 20 0 ACADHN CC(=O)N(C)[C@H]1CCN(C)C[C@H]1C 306411583 166251948 /nfs/dbraw/zinc/25/19/48/166251948.db2.gz KJQRYKIIRAARDC-SCZZXKLOSA-N 0 3 184.283 0.805 20 0 ACADHN CC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C 306411282 166253225 /nfs/dbraw/zinc/25/32/25/166253225.db2.gz KJQRYKIIRAARDC-PSASIEDQSA-N 0 3 184.283 0.805 20 0 ACADHN CC(=O)N1CCN(C)[C@@H](C(C)C)C1 306794273 166259876 /nfs/dbraw/zinc/25/98/76/166259876.db2.gz SMHJVTXTKJGMGN-SNVBAGLBSA-N 0 3 184.283 0.805 20 0 ACADHN CC(=O)N1CCN(C[C@@H]2C[C@@H]2C)CC1 336459381 166260157 /nfs/dbraw/zinc/26/01/57/166260157.db2.gz XPINGVFRAHTNEP-ONGXEEELSA-N 0 3 196.294 0.807 20 0 ACADHN CC(=O)N1CCCN(C)CC1 20495650 166260192 /nfs/dbraw/zinc/26/01/92/166260192.db2.gz WTQJZABJODIJOW-UHFFFAOYSA-N 0 3 156.229 0.170 20 0 ACADHN CC(=O)N1CCC[C@H]2CN(C)CC[C@H]21 335265763 166260324 /nfs/dbraw/zinc/26/03/24/166260324.db2.gz LRZAJYFNHIEJKP-WDEREUQCSA-N 0 3 196.294 0.949 20 0 ACADHN CC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21 335265350 166260610 /nfs/dbraw/zinc/26/06/10/166260610.db2.gz LRZAJYFNHIEJKP-MNOVXSKESA-N 0 3 196.294 0.949 20 0 ACADHN CC(=O)N1CCN(C[C@H]2C[C@H]2C)CC1 336459380 166260637 /nfs/dbraw/zinc/26/06/37/166260637.db2.gz XPINGVFRAHTNEP-MWLCHTKSSA-N 0 3 196.294 0.807 20 0 ACADHN CC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21 335265352 166260768 /nfs/dbraw/zinc/26/07/68/166260768.db2.gz LRZAJYFNHIEJKP-QWRGUYRKSA-N 0 3 196.294 0.949 20 0 ACADHN CC(=O)N1CCNCC1(C)C 62566315 166260838 /nfs/dbraw/zinc/26/08/38/166260838.db2.gz BRMCPKCISPAWHL-UHFFFAOYSA-N 0 3 156.229 0.217 20 0 in-vitro ACADHN CC(=O)N1CCN(C)CC[C@@H]1C 306548681 166260944 /nfs/dbraw/zinc/26/09/44/166260944.db2.gz OCCXXLBRGXNXRC-QMMMGPOBSA-N 0 3 170.256 0.559 20 0 ACADHN CC(=O)N1CCN(CC(C)C)CC1 41202740 166261044 /nfs/dbraw/zinc/26/10/44/166261044.db2.gz QARIREYAWBQJMF-UHFFFAOYSA-N 0 3 184.283 0.807 20 0 ACADHN CC(=O)N1CCN(C)[C@H](C(C)C)C1 306794272 166261783 /nfs/dbraw/zinc/26/17/83/166261783.db2.gz SMHJVTXTKJGMGN-JTQLQIEISA-N 0 3 184.283 0.805 20 0 ACADHN CC(=O)N1CCN(C)CC[C@H]1C 306548162 166261865 /nfs/dbraw/zinc/26/18/65/166261865.db2.gz OCCXXLBRGXNXRC-MRVPVSSYSA-N 0 3 170.256 0.559 20 0 ACADHN CC(=O)N1CCN(C[C@H]2C[C@@H]2C)CC1 336459378 166262064 /nfs/dbraw/zinc/26/20/64/166262064.db2.gz XPINGVFRAHTNEP-GXSJLCMTSA-N 0 3 196.294 0.807 20 0 ACADHN CC(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 335265348 166262139 /nfs/dbraw/zinc/26/21/39/166262139.db2.gz LRZAJYFNHIEJKP-GHMZBOCLSA-N 0 3 196.294 0.949 20 0 ACADHN CC(=O)N1CCN(C[C@@H]2C[C@H]2C)CC1 336459379 166262344 /nfs/dbraw/zinc/26/23/44/166262344.db2.gz XPINGVFRAHTNEP-KOLCDFICSA-N 0 3 196.294 0.807 20 0 ACADHN CC(=O)N1CC[C@@]2(CCCN(C)C2)C1 335974948 166262898 /nfs/dbraw/zinc/26/28/98/166262898.db2.gz SWACQMDIWQZFRH-LLVKDONJSA-N 0 3 196.294 0.951 20 0 ACADHN CC(=O)N1CCN[C@@H](C(C)C)C1 62566485 166262936 /nfs/dbraw/zinc/26/29/36/166262936.db2.gz XHLYCPXCNNLBLP-SECBINFHSA-N 0 3 170.256 0.463 20 0 ACADHN CC(=O)N1CCN[C@H](C)[C@H]1C 71495587 166262952 /nfs/dbraw/zinc/26/29/52/166262952.db2.gz KDXWRMDBCDSKBZ-RNFRBKRXSA-N 0 3 156.229 0.215 20 0 ACADHN CC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 307365259 166262969 /nfs/dbraw/zinc/26/29/69/166262969.db2.gz JHBTYMBXDHNOJO-VHSXEESVSA-N 0 3 182.267 0.559 20 0 ACADHN CC(=O)N1CC[C@]2(CCCN(C)C2)C1 335974950 166263647 /nfs/dbraw/zinc/26/36/47/166263647.db2.gz SWACQMDIWQZFRH-NSHDSACASA-N 0 3 196.294 0.951 20 0 ACADHN CC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 307365258 166263864 /nfs/dbraw/zinc/26/38/64/166263864.db2.gz JHBTYMBXDHNOJO-UWVGGRQHSA-N 0 3 182.267 0.559 20 0 ACADHN CC(=O)N1CCN[C@H](C(C)C)C1 62566484 166263938 /nfs/dbraw/zinc/26/39/38/166263938.db2.gz XHLYCPXCNNLBLP-VIFPVBQESA-N 0 3 170.256 0.463 20 0 ACADHN CC(=O)N1CCN[C@@H](C)[C@H]1C 71495588 166264021 /nfs/dbraw/zinc/26/40/21/166264021.db2.gz KDXWRMDBCDSKBZ-NKWVEPMBSA-N 0 3 156.229 0.215 20 0 ACADHN CC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 307365260 166264047 /nfs/dbraw/zinc/26/40/47/166264047.db2.gz JHBTYMBXDHNOJO-ZJUUUORDSA-N 0 3 182.267 0.559 20 0 ACADHN CC(=O)N1CC[C@H]2CCN(C)C[C@H]21 307365256 166264230 /nfs/dbraw/zinc/26/42/30/166264230.db2.gz JHBTYMBXDHNOJO-NXEZZACHSA-N 0 3 182.267 0.559 20 0 ACADHN CC(=O)N1CCN[C@H](C)[C@@H]1C 71495585 166264842 /nfs/dbraw/zinc/26/48/42/166264842.db2.gz KDXWRMDBCDSKBZ-RQJHMYQMSA-N 0 3 156.229 0.215 20 0 ACADHN CC(=O)N1CCN[C@@H](C)[C@@H]1C 71495586 166264920 /nfs/dbraw/zinc/26/49/20/166264920.db2.gz KDXWRMDBCDSKBZ-BQBZGAKWSA-N 0 3 156.229 0.215 20 0 ACADHN CC(=O)N1C[C@@H](C)NC[C@H]1C 62566305 166266426 /nfs/dbraw/zinc/26/64/26/166266426.db2.gz IZFVIZORCOWLJA-RNFRBKRXSA-N 0 3 156.229 0.215 20 0 ACADHN CC(=O)N1C[C@@H](C)NC[C@@H]1C 62566307 166267432 /nfs/dbraw/zinc/26/74/32/166267432.db2.gz IZFVIZORCOWLJA-RQJHMYQMSA-N 0 3 156.229 0.215 20 0 ACADHN CC(=O)N1C[C@H](C)NC[C@@H]1C 62566311 166267458 /nfs/dbraw/zinc/26/74/58/166267458.db2.gz IZFVIZORCOWLJA-BQBZGAKWSA-N 0 3 156.229 0.215 20 0 ACADHN CC(=O)N1C[C@H](C)NC[C@H]1C 62566309 166267578 /nfs/dbraw/zinc/26/75/78/166267578.db2.gz IZFVIZORCOWLJA-NKWVEPMBSA-N 0 3 156.229 0.215 20 0 ACADHN CC(=O)NC1(CN(C)C)CCC1 306433241 166269801 /nfs/dbraw/zinc/26/98/01/166269801.db2.gz WHFUIVSFWQDSHA-UHFFFAOYSA-N 0 3 170.256 0.607 20 0 ACADHN CC(=O)NCCNCCOC(C)C 42224148 166271277 /nfs/dbraw/zinc/27/12/77/166271277.db2.gz YCUABDSYXMPTHZ-UHFFFAOYSA-N 0 3 188.271 0.137 20 0 ACADHN CC(=O)NCCNCc1ccccc1 20184899 166271431 /nfs/dbraw/zinc/27/14/31/166271431.db2.gz MBXRLNWPEMYVIV-UHFFFAOYSA-N 0 3 192.262 0.912 20 0 in-vitro ACADHN CC(=O)NCCNc1ccncc1 36746432 166272469 /nfs/dbraw/zinc/27/24/69/166272469.db2.gz WIZYOCGUIWWPAK-UHFFFAOYSA-N 0 3 179.223 0.630 20 0 ACADHN CC(=O)NCCNCc1cccs1 20148758 166273272 /nfs/dbraw/zinc/27/32/72/166273272.db2.gz GZMLNUKYIVMBRJ-UHFFFAOYSA-N 0 3 198.291 0.974 20 0 ACADHN CC(=O)NCCN1CC=C(C)CC1 306428309 166273512 /nfs/dbraw/zinc/27/35/12/166273512.db2.gz KIQDLULWQDGROQ-UHFFFAOYSA-N 0 3 182.267 0.775 20 0 ACADHN CC(=O)NC[C@@H](C)N1CCCC1 36076895 166274501 /nfs/dbraw/zinc/27/45/01/166274501.db2.gz FXHZOFZFLYLWPJ-MRVPVSSYSA-N 0 3 170.256 0.607 20 0 ACADHN CC(=O)NCc1ccc2c(c1)CNC2 34491956 166274922 /nfs/dbraw/zinc/27/49/22/166274922.db2.gz WLKZEFNNZQMHDG-UHFFFAOYSA-N 0 3 190.246 0.926 20 0 ACADHN CC(=O)NC[C@H](C)N1CCCCC1 36077306 166275318 /nfs/dbraw/zinc/27/53/18/166275318.db2.gz AXVLIJQNUJVPCC-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CC(=O)NC[C@H](C)N1CCCC1 36076893 166275530 /nfs/dbraw/zinc/27/55/30/166275530.db2.gz FXHZOFZFLYLWPJ-QMMMGPOBSA-N 0 3 170.256 0.607 20 0 ACADHN CC(=O)NC[C@@H](C)N1CCCCC1 36077307 166275934 /nfs/dbraw/zinc/27/59/34/166275934.db2.gz AXVLIJQNUJVPCC-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CC(=O)NC[C@H]1CCCN1C 39203863 166276201 /nfs/dbraw/zinc/27/62/01/166276201.db2.gz UPDHXSWOJKNLFO-MRVPVSSYSA-N 0 3 156.229 0.217 20 0 ACADHN CC(=O)NCc1ccccc1CN 61840983 166277152 /nfs/dbraw/zinc/27/71/52/166277152.db2.gz LSKPMAKWVLNCNI-UHFFFAOYSA-N 0 3 178.235 0.781 20 0 ACADHN CC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C 307666264 166279283 /nfs/dbraw/zinc/27/92/83/166279283.db2.gz MSSYUUXDRUQSOS-OIBJUYFYSA-N 0 3 182.267 0.605 20 0 ACADHN CC(=O)N[C@@H]1CCCN(C(C)C)C1 108143458 166279370 /nfs/dbraw/zinc/27/93/70/166279370.db2.gz MHQMUEWOYSECSS-SNVBAGLBSA-N 0 3 184.283 0.995 20 0 ACADHN CC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 306514613 166279765 /nfs/dbraw/zinc/27/97/65/166279765.db2.gz UWOQOMNGTHABAG-VXNVDRBHSA-N 0 3 182.267 0.748 20 0 ACADHN CC(=O)N[C@@H]1CCCN(CC2CC2)C1 108147082 166279820 /nfs/dbraw/zinc/27/98/20/166279820.db2.gz DQBDYSFBQCCWBA-LLVKDONJSA-N 0 3 196.294 0.997 20 0 ACADHN CC(=O)N[C@@H]1CNCc2ccccc21 82805330 166280298 /nfs/dbraw/zinc/28/02/98/166280298.db2.gz IWTRCPHFVCSGDD-LLVKDONJSA-N 0 3 190.246 0.967 20 0 ACADHN CC(=O)N[C@@H]1CN2CCC1CC2 5817131 166280394 /nfs/dbraw/zinc/28/03/94/166280394.db2.gz USNCYWOZRFYMOR-SECBINFHSA-N 0 3 168.240 0.217 20 0 ACADHN CC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 306514612 166280526 /nfs/dbraw/zinc/28/05/26/166280526.db2.gz UWOQOMNGTHABAG-IONNQARKSA-N 0 3 182.267 0.748 20 0 ACADHN CC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C 307666263 166280948 /nfs/dbraw/zinc/28/09/48/166280948.db2.gz MSSYUUXDRUQSOS-GMSGAONNSA-N 0 3 182.267 0.605 20 0 ACADHN CC(=O)N[C@H]1CCCN(C(C)C)C1 108143452 166281494 /nfs/dbraw/zinc/28/14/94/166281494.db2.gz MHQMUEWOYSECSS-JTQLQIEISA-N 0 3 184.283 0.995 20 0 ACADHN CC(=O)N[C@H]1CN(C2CC2)C[C@H]1C 307666265 166281978 /nfs/dbraw/zinc/28/19/78/166281978.db2.gz MSSYUUXDRUQSOS-XCBNKYQSSA-N 0 3 182.267 0.605 20 0 ACADHN CC(=O)N[C@H]1CN2CCC1CC2 557258 166282451 /nfs/dbraw/zinc/28/24/51/166282451.db2.gz USNCYWOZRFYMOR-VIFPVBQESA-N 0 3 168.240 0.217 20 0 ACADHN CC(=O)N[C@H]1CNCc2ccccc21 82805331 166282587 /nfs/dbraw/zinc/28/25/87/166282587.db2.gz IWTRCPHFVCSGDD-NSHDSACASA-N 0 3 190.246 0.967 20 0 ACADHN CC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C 307666266 166283155 /nfs/dbraw/zinc/28/31/55/166283155.db2.gz MSSYUUXDRUQSOS-XVKPBYJWSA-N 0 3 182.267 0.605 20 0 ACADHN CC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 306514610 166283170 /nfs/dbraw/zinc/28/31/70/166283170.db2.gz UWOQOMNGTHABAG-APPZFPTMSA-N 0 3 182.267 0.748 20 0 ACADHN CC(=O)N[C@H]1CCCN(CC2CC2)C1 108147083 166283199 /nfs/dbraw/zinc/28/31/99/166283199.db2.gz DQBDYSFBQCCWBA-NSHDSACASA-N 0 3 196.294 0.997 20 0 ACADHN CC(=O)Nc1cnccc1N 35881862 166284931 /nfs/dbraw/zinc/28/49/31/166284931.db2.gz MKZXMKBJWHAKIX-UHFFFAOYSA-N 0 3 151.169 0.622 20 0 in-vitro ACADHN CC(=O)[C@@H](C)NC1CC1 77260068 166299601 /nfs/dbraw/zinc/29/96/01/166299601.db2.gz MYMFTJJVCIQTMD-RXMQYKEDSA-N 0 3 127.187 0.716 20 0 ACADHN CC(=O)[C@H](C)NC1CC1 77260067 166307612 /nfs/dbraw/zinc/30/76/12/166307612.db2.gz MYMFTJJVCIQTMD-YFKPBYRVSA-N 0 3 127.187 0.716 20 0 ACADHN CC(C)(C(N)=O)N1CCCCC1 15084502 166343317 /nfs/dbraw/zinc/34/33/17/166343317.db2.gz ULEAFFSUCIJCOH-UHFFFAOYSA-N 0 3 170.256 0.736 20 0 ACADHN CC(C)(C)C(=O)OC1CNC1 39089344 166345504 /nfs/dbraw/zinc/34/55/04/166345504.db2.gz YLNBMEMYNHPLEC-UHFFFAOYSA-N 0 3 157.213 0.548 20 0 ACADHN CC(C)(C)CNC(=O)CNC1CC1 40494438 166353724 /nfs/dbraw/zinc/35/37/24/166353724.db2.gz XGKJSGOSJZMQFT-UHFFFAOYSA-N 0 3 184.283 0.901 20 0 ACADHN CC(C)(C)CNC(=O)CN 40494304 166353954 /nfs/dbraw/zinc/35/39/54/166353954.db2.gz ZYESSNDFOLUING-UHFFFAOYSA-N 0 3 144.218 0.107 20 0 ACADHN CC(C)(C)CNCCS(C)(=O)=O 40493166 166354019 /nfs/dbraw/zinc/35/40/19/166354019.db2.gz OLGFGRVDFKMMEK-UHFFFAOYSA-N 0 3 193.312 0.667 20 0 ACADHN CC(C)(C)CNCc1nc[nH]n1 41051441 166354603 /nfs/dbraw/zinc/35/46/03/166354603.db2.gz MALRAKRYLSUHCM-UHFFFAOYSA-N 0 3 168.244 0.940 20 0 ACADHN CC(C)(C)CNCc1nnc[nH]1 41051441 166354606 /nfs/dbraw/zinc/35/46/06/166354606.db2.gz MALRAKRYLSUHCM-UHFFFAOYSA-N 0 3 168.244 0.940 20 0 ACADHN CC(C)(C)CNC(=O)[C@@H]1C[C@@H]1N 50464400 166354909 /nfs/dbraw/zinc/35/49/09/166354909.db2.gz MSNQCNQFQHDBGB-RQJHMYQMSA-N 0 3 170.256 0.496 20 0 ACADHN CC(C)(C)C[C@@H](N)C(N)=O 61840157 166356860 /nfs/dbraw/zinc/35/68/60/166356860.db2.gz KVJDSFJFBNKXPD-RXMQYKEDSA-N 0 3 144.218 0.235 20 0 ACADHN CC(C)(C)C[C@H](N)C(N)=O 61840156 166357994 /nfs/dbraw/zinc/35/79/94/166357994.db2.gz KVJDSFJFBNKXPD-YFKPBYRVSA-N 0 3 144.218 0.235 20 0 ACADHN CC(C)(C)N1CCN(C(N)=O)CC1 39115079 166359117 /nfs/dbraw/zinc/35/91/17/166359117.db2.gz JJISDSGUIVHFMQ-UHFFFAOYSA-N 0 3 185.271 0.481 20 0 ACADHN CC(C)(C)N1C[C@@H](CN)OC1=O 19669016 166359783 /nfs/dbraw/zinc/35/97/83/166359783.db2.gz VZPPBICTEWLGBT-ZCFIWIBFSA-N 0 3 172.228 0.564 20 0 ACADHN CC(C)(C)N1CCN(CCO)CC1 42308645 166360668 /nfs/dbraw/zinc/36/06/68/166360668.db2.gz VIGSGGCHDQGSJB-UHFFFAOYSA-N 0 3 186.299 0.395 20 0 ACADHN CC(C)(C)N1C[C@H](CN)OC1=O 19669018 166361327 /nfs/dbraw/zinc/36/13/27/166361327.db2.gz VZPPBICTEWLGBT-LURJTMIESA-N 0 3 172.228 0.564 20 0 ACADHN CC(C)(C)NC(=O)N[C@@H]1C[C@@H]1N 36263275 166362108 /nfs/dbraw/zinc/36/21/08/166362108.db2.gz IPULCUSIZLIULM-NTSWFWBYSA-N 0 3 171.244 0.184 20 0 ACADHN CC(C)(C)NC(=O)N[C@H]1C[C@@H]1N 36263277 166363505 /nfs/dbraw/zinc/36/35/05/166363505.db2.gz IPULCUSIZLIULM-WDSKDSINSA-N 0 3 171.244 0.184 20 0 ACADHN CC(C)(C)NC(=O)CN1CCCC1 32668111 166363877 /nfs/dbraw/zinc/36/38/77/166363877.db2.gz BLLXIBFRJRKVOJ-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CC(C)(C)NC(=O)[C@@H]1C[C@@H]1N 18671411 166363882 /nfs/dbraw/zinc/36/38/82/166363882.db2.gz XHHXOTYCRPDJAN-RITPCOANSA-N 0 3 156.229 0.248 20 0 ACADHN CC(C)(C)NC(=O)N[C@H]1C[C@H]1N 36263280 166363902 /nfs/dbraw/zinc/36/39/02/166363902.db2.gz IPULCUSIZLIULM-RITPCOANSA-N 0 3 171.244 0.184 20 0 ACADHN CC(C)(C)NC(=O)N1CCCNCC1 20253459 166363935 /nfs/dbraw/zinc/36/39/35/166363935.db2.gz FQMQMEPTZJCOJA-UHFFFAOYSA-N 0 3 199.298 0.790 20 0 ACADHN CC(C)(C)NC(=O)N[C@@H]1C[C@H]1N 36263278 166363951 /nfs/dbraw/zinc/36/39/51/166363951.db2.gz IPULCUSIZLIULM-PHDIDXHHSA-N 0 3 171.244 0.184 20 0 ACADHN CC(C)(C)[C@@H]1CCN(CC(N)=O)C1 138305500 166377315 /nfs/dbraw/zinc/37/73/15/166377315.db2.gz YHYUJOXCMQOTJQ-MRVPVSSYSA-N 0 3 184.283 0.840 20 0 ACADHN CC(C)(C)[C@@H]1CCCN1CC(N)=O 306443141 166377528 /nfs/dbraw/zinc/37/75/28/166377528.db2.gz LZKRHAXWDLDHME-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN CC(C)(C)[C@H](N)C(=O)Nc1cc[nH]n1 42414749 166378535 /nfs/dbraw/zinc/37/85/35/166378535.db2.gz WFQRJVQKVKXNFH-SSDOTTSWSA-N 0 3 196.254 0.722 20 0 ACADHN CC(C)(C)[C@H](N)C(=O)NCC1CC1 40457899 166379434 /nfs/dbraw/zinc/37/94/34/166379434.db2.gz KNBIUMNJFFPYAM-MRVPVSSYSA-N 0 3 184.283 0.886 20 0 ACADHN CC(C)(C)[C@H](N)C(=O)Nc1cn[nH]c1 40460115 166379543 /nfs/dbraw/zinc/37/95/43/166379543.db2.gz GRUPTLMUNIYMOM-SSDOTTSWSA-N 0 3 196.254 0.722 20 0 ACADHN CC(C)(C)[C@H](N)C(=O)NC1CC1 40457795 166379963 /nfs/dbraw/zinc/37/99/63/166379963.db2.gz CSYMISMOSBCQET-SSDOTTSWSA-N 0 3 170.256 0.638 20 0 ACADHN CC(C)(C)[C@H]1CCCN1CC(N)=O 306443140 166380677 /nfs/dbraw/zinc/38/06/77/166380677.db2.gz LZKRHAXWDLDHME-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN CC(C)(C)[C@H]1CCN(CC(N)=O)C1 138305611 166381598 /nfs/dbraw/zinc/38/15/98/166381598.db2.gz YHYUJOXCMQOTJQ-QMMMGPOBSA-N 0 3 184.283 0.840 20 0 ACADHN CC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 306514611 166283680 /nfs/dbraw/zinc/28/36/80/166283680.db2.gz UWOQOMNGTHABAG-CBAPKCEASA-N 0 3 182.267 0.748 20 0 ACADHN CCN1CCCC2(C1)OCCO2 133700823 343925038 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166424253 /nfs/dbraw/zinc/42/42/53/166424253.db2.gz XKMCBMBPFLGOAB-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN CC(C)C(=O)N1CCN[C@@H](C)[C@H]1C 71499575 166424683 /nfs/dbraw/zinc/42/46/83/166424683.db2.gz LZTCUFSXGCUOTA-DTWKUNHWSA-N 0 3 184.283 0.851 20 0 ACADHN CC(C)CN(C)C(=O)[C@@H]1C[C@@H]1N 50458363 166454518 /nfs/dbraw/zinc/45/45/18/166454518.db2.gz LNPNLHJCODRKTG-SFYZADRCSA-N 0 3 170.256 0.448 20 0 ACADHN CC(C)CN(C(=O)CN)C(C)C 37810141 166456473 /nfs/dbraw/zinc/45/64/73/166456473.db2.gz ATOTUXDIPIUABB-UHFFFAOYSA-N 0 3 172.272 0.838 20 0 ACADHN CC(C)CNC(=O)C1(N)CC1 83339644 166466225 /nfs/dbraw/zinc/46/62/25/166466225.db2.gz MZDXEVAQGUHGAW-UHFFFAOYSA-N 0 3 156.229 0.250 20 0 ACADHN CC(C)NCC(=O)Nc1cnn(C)c1 37477153 166537383 /nfs/dbraw/zinc/53/73/83/166537383.db2.gz OREAXPBNVCYNDY-UHFFFAOYSA-N 0 3 196.254 0.357 20 0 ACADHN CC(C)N[C@H](CO)c1cnn(C)c1 38115812 166547636 /nfs/dbraw/zinc/54/76/36/166547636.db2.gz MKNWHLCZELZCKQ-SECBINFHSA-N 0 3 183.255 0.452 20 0 ACADHN 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/nfs/dbraw/zinc/82/23/43/166822343.db2.gz XAYYOLALMUJJHK-RKDXNWHRSA-N 0 3 184.283 0.995 20 0 ACADHN CNCC(=O)N1CC[C@@H]2CCCC[C@@H]21 133830520 343927578 /nfs/dbraw/zinc/92/75/78/343927578.db2.gz SKWOKYYVWCISBH-UWVGGRQHSA-N 0 3 196.294 0.997 20 0 ACADHN CCCCOCCNC(=O)[C@H](C)N 40507651 166904718 /nfs/dbraw/zinc/90/47/18/166904718.db2.gz MBQZMPRXNSVSOC-QMMMGPOBSA-N 0 3 188.271 0.267 20 0 ACADHN CCCN(CC)C(=O)[C@H](N)CC 36871613 166949182 /nfs/dbraw/zinc/94/91/82/166949182.db2.gz OMXHCWIFOUEXGL-MRVPVSSYSA-N 0 3 172.272 0.982 20 0 ACADHN CCCN(CCC)[C@H](C)C(N)=O 32023566 166953243 /nfs/dbraw/zinc/95/32/43/166953243.db2.gz GHLGXENMMIAJSV-MRVPVSSYSA-N 0 3 172.272 0.982 20 0 ACADHN CCCN1C[C@@H](CN)OC1=O 19668842 166970669 /nfs/dbraw/zinc/97/06/69/166970669.db2.gz MPJYNGDBNSZXAY-ZCFIWIBFSA-N 0 3 158.201 0.176 20 0 ACADHN CCCN[C@H](C)c1nncn1C 37017560 167000149 /nfs/dbraw/zinc/00/01/49/167000149.db2.gz WFROGTYRAOCCGQ-SSDOTTSWSA-N 0 3 168.244 0.876 20 0 ACADHN CCCOc1cc[nH]c(=NN)n1 15810054 167021905 /nfs/dbraw/zinc/02/19/05/167021905.db2.gz CPNZZALUSHNLKW-UHFFFAOYSA-N 0 3 168.200 0.551 20 0 ACADHN CCC[C@@H](C)N(C)C(=O)[C@H](C)N 37505079 167031570 /nfs/dbraw/zinc/03/15/70/167031570.db2.gz VVCXAGDRBAGNOT-SFYZADRCSA-N 0 3 172.272 0.981 20 0 ACADHN CCC[C@@H](C)N(C)C(=O)[C@@H](C)N 37505077 167031725 /nfs/dbraw/zinc/03/17/25/167031725.db2.gz VVCXAGDRBAGNOT-HTQZYQBOSA-N 0 3 172.272 0.981 20 0 ACADHN CCC[C@@H](C)NC(=O)CNCC 44293868 167031886 /nfs/dbraw/zinc/03/18/86/167031886.db2.gz JMKYJIBLBWDBFU-MRVPVSSYSA-N 0 3 172.272 0.901 20 0 ACADHN CCC[C@@H](C)NC(=O)[C@H](C)N 19482066 167032137 /nfs/dbraw/zinc/03/21/37/167032137.db2.gz NDTLZBUYPAFCBZ-RQJHMYQMSA-N 0 3 158.245 0.638 20 0 ACADHN CCC[C@@H](C)NC(=O)CN 19515951 167032294 /nfs/dbraw/zinc/03/22/94/167032294.db2.gz ZAGRTQYSRCXTCZ-ZCFIWIBFSA-N 0 3 144.218 0.250 20 0 ACADHN CCC[C@@H](C)N(C)C(=O)CN 37505047 167033173 /nfs/dbraw/zinc/03/31/73/167033173.db2.gz WXDBNQLDPFEJNW-SSDOTTSWSA-N 0 3 158.245 0.592 20 0 ACADHN CCC[C@@H](C)NC(=O)[C@@H](C)N 19482062 167033624 /nfs/dbraw/zinc/03/36/24/167033624.db2.gz NDTLZBUYPAFCBZ-RNFRBKRXSA-N 0 3 158.245 0.638 20 0 ACADHN CCC[C@@H](C)NCCS(C)(=O)=O 37491601 167035562 /nfs/dbraw/zinc/03/55/62/167035562.db2.gz PKEYVAMSHMRCHW-MRVPVSSYSA-N 0 3 193.312 0.809 20 0 ACADHN CCC[C@@H](CC)NC(=O)CNC 50405372 167038874 /nfs/dbraw/zinc/03/88/74/167038874.db2.gz YLZJQLZQIIOMBG-MRVPVSSYSA-N 0 3 172.272 0.901 20 0 ACADHN CCC[C@@H](CC)NC(=O)CN 50405125 167039420 /nfs/dbraw/zinc/03/94/20/167039420.db2.gz MWJVAQUXMKLXHM-SSDOTTSWSA-N 0 3 158.245 0.640 20 0 ACADHN CCC[C@@H]1CCCN(C(=O)CN)C1 308685709 167054022 /nfs/dbraw/zinc/05/40/22/167054022.db2.gz ZJEDZQDQXONOIV-SECBINFHSA-N 0 3 184.283 0.984 20 0 ACADHN CCC[C@@](C)(N)C(=O)NC1CC1 37481160 167058417 /nfs/dbraw/zinc/05/84/17/167058417.db2.gz KTOGKAMLNXFTTD-SECBINFHSA-N 0 3 170.256 0.783 20 0 ACADHN CCC[C@@](C)(N)C(=O)NCC 37481172 167058671 /nfs/dbraw/zinc/05/86/71/167058671.db2.gz UFHGVAAKOFDCQI-MRVPVSSYSA-N 0 3 158.245 0.640 20 0 ACADHN CCC[C@@](C)(N)C(=O)N(C)CC 37481340 167059012 /nfs/dbraw/zinc/05/90/12/167059012.db2.gz XZAWRWHOILULIN-SECBINFHSA-N 0 3 172.272 0.982 20 0 ACADHN CCC[C@@](C)(N)C(=O)Nc1cc[nH]n1 42414763 167059056 /nfs/dbraw/zinc/05/90/56/167059056.db2.gz CZKDKYDTOLHPCF-SECBINFHSA-N 0 3 196.254 0.866 20 0 ACADHN CCC[C@@](C)([NH2+]CCCN)C(=O)[O-] 51355581 167060050 /nfs/dbraw/zinc/06/00/50/167060050.db2.gz KRBWCTYKBMAZIF-SECBINFHSA-N 0 3 188.271 0.568 20 0 ACADHN CCC[C@@](C)(N)C(=O)N(C)C 37481284 167060249 /nfs/dbraw/zinc/06/02/49/167060249.db2.gz AZQPIMTTYODVRW-MRVPVSSYSA-N 0 3 158.245 0.592 20 0 ACADHN C[C@@H]1OCC[C@@H]1NCc1cnn(C)c1 133994555 343931096 /nfs/dbraw/zinc/93/10/96/343931096.db2.gz VLHRAEOOGSYGTF-WPRPVWTQSA-N 0 3 195.266 0.687 20 0 ACADHN CCC[C@H](C)NC(=O)CN 19515953 167066216 /nfs/dbraw/zinc/06/62/16/167066216.db2.gz ZAGRTQYSRCXTCZ-LURJTMIESA-N 0 3 144.218 0.250 20 0 ACADHN CCC[C@H](C)N(C)C(=O)[C@@H](C)N 37505078 167066798 /nfs/dbraw/zinc/06/67/98/167066798.db2.gz VVCXAGDRBAGNOT-JGVFFNPUSA-N 0 3 172.272 0.981 20 0 ACADHN CCC[C@H](C)N(C)C(=O)CN 37505048 167067355 /nfs/dbraw/zinc/06/73/55/167067355.db2.gz WXDBNQLDPFEJNW-ZETCQYMHSA-N 0 3 158.245 0.592 20 0 ACADHN CCC[C@H](C)NC(=O)[C@@H](C)N 19482064 167068138 /nfs/dbraw/zinc/06/81/38/167068138.db2.gz NDTLZBUYPAFCBZ-NKWVEPMBSA-N 0 3 158.245 0.638 20 0 ACADHN CCC[C@H](C)NC(=O)CNCC 44293872 167068492 /nfs/dbraw/zinc/06/84/92/167068492.db2.gz JMKYJIBLBWDBFU-QMMMGPOBSA-N 0 3 172.272 0.901 20 0 ACADHN CCC[C@H](C)N(C)C(=O)[C@H](C)N 37505080 167068905 /nfs/dbraw/zinc/06/89/05/167068905.db2.gz VVCXAGDRBAGNOT-YUMQZZPRSA-N 0 3 172.272 0.981 20 0 ACADHN CCC[C@H](C)NCCS(C)(=O)=O 37491602 167071435 /nfs/dbraw/zinc/07/14/35/167071435.db2.gz PKEYVAMSHMRCHW-QMMMGPOBSA-N 0 3 193.312 0.809 20 0 ACADHN CCC[C@H](C)NC(=O)[C@H](C)N 19482068 167071794 /nfs/dbraw/zinc/07/17/94/167071794.db2.gz NDTLZBUYPAFCBZ-BQBZGAKWSA-N 0 3 158.245 0.638 20 0 ACADHN CCC[C@H](CC)NC(=O)CN 50405127 167075136 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/nfs/dbraw/zinc/27/46/66/167274666.db2.gz OXXAOGRIRWSAGR-UHFFFAOYSA-N 0 3 139.202 0.828 20 0 ACADHN CCNCc1cc(C)n[nH]1 41050784 167275899 /nfs/dbraw/zinc/27/58/99/167275899.db2.gz NVGOZSFOXMNNFL-UHFFFAOYSA-N 0 3 139.202 0.828 20 0 ACADHN CCNCc1n[nH]cc1C 82410416 167277638 /nfs/dbraw/zinc/27/76/38/167277638.db2.gz OZPQLBMQXKLDSS-UHFFFAOYSA-N 0 3 139.202 0.828 20 0 ACADHN CCNCc1nc(C)c[nH]1 44651778 167277660 /nfs/dbraw/zinc/27/76/60/167277660.db2.gz VIAMMUNVSPSYBV-UHFFFAOYSA-N 0 3 139.202 0.828 20 0 ACADHN CCNCc1cnc(N(C)C)nc1 54855655 167278797 /nfs/dbraw/zinc/27/87/97/167278797.db2.gz VPJRIIKLRMVOQU-UHFFFAOYSA-N 0 3 180.255 0.652 20 0 ACADHN CCN[C@@H](C)C(=O)N1CCCC1 20299842 167279707 /nfs/dbraw/zinc/27/97/07/167279707.db2.gz MULGRJRDXPQNSI-QMMMGPOBSA-N 0 3 170.256 0.607 20 0 ACADHN CCN[C@@H](C)C(=O)N(C)C 20308073 167280918 /nfs/dbraw/zinc/28/09/18/167280918.db2.gz VJNZEIKPZOKGLX-LURJTMIESA-N 0 3 144.218 0.073 20 0 ACADHN CCN[C@@H](C)C(=O)NCc1ccco1 20303680 167281300 /nfs/dbraw/zinc/28/13/00/167281300.db2.gz QQFHKGVILDIECV-QMMMGPOBSA-N 0 3 196.250 0.894 20 0 ACADHN CCN[C@@H](C)C(=O)NC1CC1 20308058 167281362 /nfs/dbraw/zinc/28/13/62/167281362.db2.gz TXCBFPHYDTZPKN-LURJTMIESA-N 0 3 156.229 0.263 20 0 ACADHN CCN[C@@H](C)C(=O)N1CCCCC1 20299839 167281756 /nfs/dbraw/zinc/28/17/56/167281756.db2.gz ZNSUVFZIXLCQMF-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CCN[C@@H](C)C(=O)NC(C)(C)C 20314293 167282004 /nfs/dbraw/zinc/28/20/04/167282004.db2.gz WHVCVFLIYMUEMN-ZETCQYMHSA-N 0 3 172.272 0.899 20 0 ACADHN CCN[C@@H](C)C(=O)NC(C)C 20304520 167282310 /nfs/dbraw/zinc/28/23/10/167282310.db2.gz CHRIGICUXWVGIJ-ZETCQYMHSA-N 0 3 158.245 0.509 20 0 ACADHN CCN[C@@H]1CCn2ccnc21 306794396 167289247 /nfs/dbraw/zinc/28/92/47/167289247.db2.gz STGJVSBCLGKSGP-SSDOTTSWSA-N 0 3 151.213 0.937 20 0 ACADHN CCN[C@H](C)C(=O)N1CCCCC1 20299841 167292817 /nfs/dbraw/zinc/29/28/17/167292817.db2.gz ZNSUVFZIXLCQMF-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CCN[C@H](C)C(=O)NC(C)C 20304521 167293110 /nfs/dbraw/zinc/29/31/10/167293110.db2.gz CHRIGICUXWVGIJ-SSDOTTSWSA-N 0 3 158.245 0.509 20 0 ACADHN CCN[C@H](C)C(=O)NCc1ccco1 20303682 167293223 /nfs/dbraw/zinc/29/32/23/167293223.db2.gz QQFHKGVILDIECV-MRVPVSSYSA-N 0 3 196.250 0.894 20 0 ACADHN CCN[C@H](C)C(=O)N1CCCC1 20299844 167293916 /nfs/dbraw/zinc/29/39/16/167293916.db2.gz MULGRJRDXPQNSI-MRVPVSSYSA-N 0 3 170.256 0.607 20 0 ACADHN CCN[C@H](C)C(=O)NC(C)(C)C 20314296 167294167 /nfs/dbraw/zinc/29/41/67/167294167.db2.gz WHVCVFLIYMUEMN-SSDOTTSWSA-N 0 3 172.272 0.899 20 0 ACADHN CCN[C@@](C)(C(N)=O)c1ccccc1 37447652 167294201 /nfs/dbraw/zinc/29/42/01/167294201.db2.gz OYNPVMLPAKQUJX-LLVKDONJSA-N 0 3 192.262 0.997 20 0 ACADHN CCN[C@H](C)C(=O)NC1CC1 20308061 167294860 /nfs/dbraw/zinc/29/48/60/167294860.db2.gz TXCBFPHYDTZPKN-ZCFIWIBFSA-N 0 3 156.229 0.263 20 0 ACADHN CCN[C@H](C)C(=O)N(C)C 20308075 167295032 /nfs/dbraw/zinc/29/50/32/167295032.db2.gz VJNZEIKPZOKGLX-ZCFIWIBFSA-N 0 3 144.218 0.073 20 0 ACADHN C[C@@H]1OCC[C@@H]1NC(=O)C1(N)CCC1 134557138 343944926 /nfs/dbraw/zinc/94/49/26/343944926.db2.gz ZCFHKMCOEDZCDX-YUMQZZPRSA-N 0 3 198.266 0.161 20 0 ACADHN CCN[C@](C)(C(N)=O)c1ccccc1 37447651 167303606 /nfs/dbraw/zinc/30/36/06/167303606.db2.gz OYNPVMLPAKQUJX-NSHDSACASA-N 0 3 192.262 0.997 20 0 ACADHN CCN[C@H]1CCn2ccnc21 306794404 167304175 /nfs/dbraw/zinc/30/41/75/167304175.db2.gz STGJVSBCLGKSGP-ZETCQYMHSA-N 0 3 151.213 0.937 20 0 ACADHN C[C@@H]1OCC[C@H]1NC(=O)C1(N)CCC1 134557092 343944937 /nfs/dbraw/zinc/94/49/37/343944937.db2.gz ZCFHKMCOEDZCDX-JGVFFNPUSA-N 0 3 198.266 0.161 20 0 ACADHN C[C@H]1OCC[C@H]1NC(=O)C1(N)CCC1 134557072 343944941 /nfs/dbraw/zinc/94/49/41/343944941.db2.gz ZCFHKMCOEDZCDX-HTQZYQBOSA-N 0 3 198.266 0.161 20 0 ACADHN CCN1CCC[C@H](n2ccnn2)C1 335096466 167208661 /nfs/dbraw/zinc/20/86/61/167208661.db2.gz PEAVJFGGOKIQOF-VIFPVBQESA-N 0 3 180.255 0.935 20 0 ACADHN CCN1CCC[C@@H](NC(=O)N(C)C)C1 136145283 167208762 /nfs/dbraw/zinc/20/87/62/167208762.db2.gz NMOLSVJABCURHN-SECBINFHSA-N 0 3 199.298 0.742 20 0 ACADHN CCN1CCC[C@H](N2CCOCC2)C1 73652119 167209590 /nfs/dbraw/zinc/20/95/90/167209590.db2.gz IJTCPCFZUGQRJY-NSHDSACASA-N 0 3 198.310 0.803 20 0 ACADHN CCOC(=O)CCN(C)C[C@H](C)O 50067193 167329225 /nfs/dbraw/zinc/32/92/25/167329225.db2.gz PZTXZTKPSJXUOA-QMMMGPOBSA-N 0 3 189.255 0.252 20 0 ACADHN CCOC(=O)CCN(CC)CCO 37853433 167329504 /nfs/dbraw/zinc/32/95/04/167329504.db2.gz NBSSAISFDGMEKH-UHFFFAOYSA-N 0 3 189.255 0.254 20 0 ACADHN CCOC(=O)CCN(C)C[C@@H](C)O 50067192 167329676 /nfs/dbraw/zinc/32/96/76/167329676.db2.gz PZTXZTKPSJXUOA-MRVPVSSYSA-N 0 3 189.255 0.252 20 0 ACADHN CCOC(=O)CCN(C)CCOC 42375769 167330171 /nfs/dbraw/zinc/33/01/71/167330171.db2.gz RSYDSURATOUBPT-UHFFFAOYSA-N 0 3 189.255 0.518 20 0 ACADHN CCOC(=O)CCN(C)CCCO 50067520 167331526 /nfs/dbraw/zinc/33/15/26/167331526.db2.gz OZXQCEOABGWCCG-UHFFFAOYSA-N 0 3 189.255 0.254 20 0 ACADHN CCOC(=O)N1[C@H](C)CNC[C@H]1C 68913728 167341144 /nfs/dbraw/zinc/34/11/44/167341144.db2.gz 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167357698 /nfs/dbraw/zinc/35/76/98/167357698.db2.gz APHDAVCXISSMNJ-IONNQARKSA-N 0 3 189.230 0.887 20 0 ACADHN CCOC(=O)[C@@]1(F)CNC[C@H]1CC 390822088 167357762 /nfs/dbraw/zinc/35/77/62/167357762.db2.gz APHDAVCXISSMNJ-VXNVDRBHSA-N 0 3 189.230 0.887 20 0 ACADHN CCOC(=O)[C@@]1(F)CNC[C@@H]1C 306993353 167357790 /nfs/dbraw/zinc/35/77/90/167357790.db2.gz ZBOOAEFYMRKWCH-POYBYMJQSA-N 0 3 175.203 0.497 20 0 ACADHN CCOC(=O)[C@H]1NCCc2[nH]cnc21 95698602 167364893 /nfs/dbraw/zinc/36/48/93/167364893.db2.gz MDKJQYSHTJBCAT-QMMMGPOBSA-N 0 3 195.222 0.160 20 0 ACADHN CCOC(=O)[C@]1(F)CNC[C@H]1CC 390822085 167366037 /nfs/dbraw/zinc/36/60/37/167366037.db2.gz APHDAVCXISSMNJ-APPZFPTMSA-N 0 3 189.230 0.887 20 0 ACADHN CCOC(=O)[C@]1(F)CNC[C@H]1C 306993354 167366105 /nfs/dbraw/zinc/36/61/05/167366105.db2.gz ZBOOAEFYMRKWCH-SVRRBLITSA-N 0 3 175.203 0.497 20 0 ACADHN CCOC(=O)[C@]1(F)CNC[C@@H]1CC 390822086 167366536 /nfs/dbraw/zinc/36/65/36/167366536.db2.gz APHDAVCXISSMNJ-CBAPKCEASA-N 0 3 189.230 0.887 20 0 ACADHN CCOC(=O)[C@]1(F)CNC[C@@H]1C 306993355 167367209 /nfs/dbraw/zinc/36/72/09/167367209.db2.gz ZBOOAEFYMRKWCH-XPUUQOCRSA-N 0 3 175.203 0.497 20 0 ACADHN CCOC(=O)c1cc2n(c1)CCNC2 95630213 167368631 /nfs/dbraw/zinc/36/86/31/167368631.db2.gz FVKLZYXTNPYRGL-UHFFFAOYSA-N 0 3 194.234 0.768 20 0 ACADHN CCOC(=O)c1cnc(N)cc1N 95093473 167373347 /nfs/dbraw/zinc/37/33/47/167373347.db2.gz FBQMQXDIPMHSKM-UHFFFAOYSA-N 0 3 181.195 0.423 20 0 ACADHN CCOCCCNC(=O)[C@H](N)CC 36871387 167384405 /nfs/dbraw/zinc/38/44/05/167384405.db2.gz LVSWLEVJVDSUTR-MRVPVSSYSA-N 0 3 188.271 0.267 20 0 ACADHN CCOCCCNCc1ncc[nH]1 22861510 167384553 /nfs/dbraw/zinc/38/45/53/167384553.db2.gz YWXCUVISYLDMAC-UHFFFAOYSA-N 0 3 183.255 0.926 20 0 ACADHN CCOCCCNC(=O)C1(N)CC1 83341155 167385436 /nfs/dbraw/zinc/38/54/36/167385436.db2.gz WEAWHQMVUHXBID-UHFFFAOYSA-N 0 3 186.255 0.021 20 0 ACADHN CCOCCCNC(=O)[C@@H](N)CC 36871386 167386993 /nfs/dbraw/zinc/38/69/93/167386993.db2.gz LVSWLEVJVDSUTR-QMMMGPOBSA-N 0 3 188.271 0.267 20 0 ACADHN CCOCCNCc1ccnn1C 36901379 167387657 /nfs/dbraw/zinc/38/76/57/167387657.db2.gz IYMIANNNCCNWGC-UHFFFAOYSA-N 0 3 183.255 0.546 20 0 ACADHN CCOCCNCc1c[nH]nc1C 36901777 167388152 /nfs/dbraw/zinc/38/81/52/167388152.db2.gz NPEOSTYNMIWPSO-UHFFFAOYSA-N 0 3 183.255 0.844 20 0 ACADHN CCOCCN(CC)CCO 49754168 167388641 /nfs/dbraw/zinc/38/86/41/167388641.db2.gz ZRNWPBAMBRQUIL-UHFFFAOYSA-N 0 3 161.245 0.337 20 0 ACADHN CCOCCN(C)CCC(=O)OC 50067762 167389179 /nfs/dbraw/zinc/38/91/79/167389179.db2.gz QGMQOJCNRVLPPL-UHFFFAOYSA-N 0 3 189.255 0.518 20 0 ACADHN CCOCCN(C)C[C@@H](C)O 51822086 167389207 /nfs/dbraw/zinc/38/92/07/167389207.db2.gz SORMUIOVXRPPKT-MRVPVSSYSA-N 0 3 161.245 0.336 20 0 ACADHN CCOCCNCc1cnn(C)c1C 86551950 167389252 /nfs/dbraw/zinc/38/92/52/167389252.db2.gz VHCPOBRAMZVDMF-UHFFFAOYSA-N 0 3 197.282 0.855 20 0 ACADHN CCOCCNCc1cnn(C)c1 36228464 167390417 /nfs/dbraw/zinc/39/04/17/167390417.db2.gz KGRBLBJJXGNLST-UHFFFAOYSA-N 0 3 183.255 0.546 20 0 ACADHN CCOCCN(C)C[C@H](C)O 51822087 167390545 /nfs/dbraw/zinc/39/05/45/167390545.db2.gz SORMUIOVXRPPKT-QMMMGPOBSA-N 0 3 161.245 0.336 20 0 ACADHN CCOC[C@@H](C)NCc1ccnn1C 44691058 167393590 /nfs/dbraw/zinc/39/35/90/167393590.db2.gz ZQSGIAODZKHETM-SECBINFHSA-N 0 3 197.282 0.935 20 0 ACADHN CCOCCn1cc(CN)cn1 54716783 167393655 /nfs/dbraw/zinc/39/36/55/167393655.db2.gz DQJPPSOIAJGPKS-UHFFFAOYSA-N 0 3 169.228 0.378 20 0 ACADHN CCOC[C@@H](C)NCC(=O)N(C)C 44724194 167394556 /nfs/dbraw/zinc/39/45/56/167394556.db2.gz HTTTYKYDTMOZAP-MRVPVSSYSA-N 0 3 188.271 0.089 20 0 ACADHN CCOC[C@H](C)NCc1ccnn1C 44691060 167397412 /nfs/dbraw/zinc/39/74/12/167397412.db2.gz ZQSGIAODZKHETM-VIFPVBQESA-N 0 3 197.282 0.935 20 0 ACADHN CCOc1ccc2c(n1)OCCNC2 85210300 167421253 /nfs/dbraw/zinc/42/12/53/167421253.db2.gz AKRJBIRUGDMBPW-UHFFFAOYSA-N 0 3 194.234 0.962 20 0 ACADHN CC[C@@H](C)NC(=O)[C@H](N)CC 36871018 167468565 /nfs/dbraw/zinc/46/85/65/167468565.db2.gz ZJIBFXWYEJBKNH-RNFRBKRXSA-N 0 3 158.245 0.638 20 0 ACADHN CC[C@@H](COC)NCc1cncnc1 70625043 167516567 /nfs/dbraw/zinc/51/65/67/167516567.db2.gz XOYULPPWIMZLSQ-JTQLQIEISA-N 0 3 195.266 0.991 20 0 ACADHN CC[C@@H](N)C(=O)NCc1cccnc1 36871504 167519197 /nfs/dbraw/zinc/51/91/97/167519197.db2.gz MZMZKKGOQHOKAU-SECBINFHSA-N 0 3 193.250 0.435 20 0 ACADHN CC[C@@H](N)C(=O)N1CCC(C)CC1 36870989 167519600 /nfs/dbraw/zinc/51/96/00/167519600.db2.gz UHEXNCPFICDKHC-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@@H](N)C(=O)N(C)[C@H](C)C1CC1 36871792 167520493 /nfs/dbraw/zinc/52/04/93/167520493.db2.gz KYRGCTGWKRBDJX-VXNVDRBHSA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@@H](O)CN1CCSCC1 37693666 167537172 /nfs/dbraw/zinc/53/71/72/167537172.db2.gz DHZNWXXGZCPVMG-MRVPVSSYSA-N 0 3 175.297 0.806 20 0 ACADHN CC[C@@H]1C[C@@H](C)CN1C(=O)CN 306956855 167565885 /nfs/dbraw/zinc/56/58/85/167565885.db2.gz SFGJVLYJJXQIIY-HTQZYQBOSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@H](C)N(C)C(=O)[C@H](C)N 37110295 167603287 /nfs/dbraw/zinc/60/32/87/167603287.db2.gz PFKRFUFPIZMTIJ-BQBZGAKWSA-N 0 3 158.245 0.591 20 0 ACADHN CC[C@H](C)N(C)C(=O)CNC 37110291 167603720 /nfs/dbraw/zinc/60/37/20/167603720.db2.gz USRLVXSTXUAVKK-ZETCQYMHSA-N 0 3 158.245 0.463 20 0 ACADHN CC[C@H](CO)NCc1cnn(C)c1 20195875 167647519 /nfs/dbraw/zinc/64/75/19/167647519.db2.gz LQRIXIALHWCEMN-SECBINFHSA-N 0 3 183.255 0.281 20 0 ACADHN CC[C@H](N)C(=O)N(C)[C@H]1CC1(C)C 335563801 167651087 /nfs/dbraw/zinc/65/10/87/167651087.db2.gz PZKDBSSRVJRYCI-YUMQZZPRSA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@H](N)C(=O)N1CC[C@H](C)C1 40724722 167653570 /nfs/dbraw/zinc/65/35/70/167653570.db2.gz HRDDRTKTGPPUIH-YUMQZZPRSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@H](N)C(=O)NC1CCOCC1 36871903 167654227 /nfs/dbraw/zinc/65/42/27/167654227.db2.gz NMKAJBMOVZUVMB-QMMMGPOBSA-N 0 3 186.255 0.019 20 0 ACADHN CC[C@]1(C)CCN(C(=O)CN)C1 307576171 167709338 /nfs/dbraw/zinc/70/93/38/167709338.db2.gz MFRYCXMIEYFFOC-SECBINFHSA-N 0 3 170.256 0.594 20 0 ACADHN CCn1cc(NC(=O)CNC)cn1 35781286 167799685 /nfs/dbraw/zinc/79/96/85/167799685.db2.gz UUMAPMLFWMUJRI-UHFFFAOYSA-N 0 3 182.227 0.061 20 0 ACADHN CCn1cc([C@@H](C)NCCO)cn1 44495728 167802084 /nfs/dbraw/zinc/80/20/84/167802084.db2.gz CMFUDXJQMPTCMY-MRVPVSSYSA-N 0 3 183.255 0.546 20 0 ACADHN CN(C(=O)C(C)(C)N)[C@@H]1CC1(C)C 336290174 167812517 /nfs/dbraw/zinc/81/25/17/167812517.db2.gz KTOOOTQJBUGHQW-SSDOTTSWSA-N 0 3 184.283 0.981 20 0 ACADHN CN(C(=O)CN)C1CCCC1 37092837 167814455 /nfs/dbraw/zinc/81/44/55/167814455.db2.gz CGLGMLHAGFXICL-UHFFFAOYSA-N 0 3 156.229 0.346 20 0 ACADHN CN(C)C(=O)CNC1CC(C)(C)C1 335589829 167822702 /nfs/dbraw/zinc/82/27/02/167822702.db2.gz SDVANXYWOYBDPK-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN CN(C)CCNC(=O)c1ccc[nH]1 74701449 167836808 /nfs/dbraw/zinc/83/68/08/167836808.db2.gz VMCXHSAJSAVWQM-UHFFFAOYSA-N 0 3 181.239 0.306 20 0 ACADHN CN1CC[C@@H](N2CCCC2)C1=O 306450879 167926452 /nfs/dbraw/zinc/92/64/52/167926452.db2.gz QZOFJCVXECFUJC-MRVPVSSYSA-N 0 3 168.240 0.313 20 0 ACADHN CNC(=O)C1CN(CC(C)C)C1 306483818 167951043 /nfs/dbraw/zinc/95/10/43/167951043.db2.gz PKSYPQXQFYHSDI-UHFFFAOYSA-N 0 3 170.256 0.320 20 0 ACADHN CNC(=O)CN(C)C1CCCCC1 66215891 167952696 /nfs/dbraw/zinc/95/26/96/167952696.db2.gz LOYSDWYYUKOTMN-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CNC(=O)CN1CCC[C@H](C)[C@@H]1C 307670293 167953180 /nfs/dbraw/zinc/95/31/80/167953180.db2.gz UNUATUQKWIFVKY-IUCAKERBSA-N 0 3 184.283 0.853 20 0 ACADHN CNCC(=O)N(C)[C@@H](C)C1CC1 36785837 167982439 /nfs/dbraw/zinc/98/24/39/167982439.db2.gz NBKCUHKINZYFBZ-ZETCQYMHSA-N 0 3 170.256 0.463 20 0 ACADHN CNCC(=O)N1[C@H](C)CC[C@H]1C 306284802 167985181 /nfs/dbraw/zinc/98/51/81/167985181.db2.gz CCCDYQLOPZAKMP-HTQZYQBOSA-N 0 3 170.256 0.605 20 0 ACADHN CNCC(=O)N1CCCCCCC1 20265826 167986071 /nfs/dbraw/zinc/98/60/71/167986071.db2.gz UDFPJBDNOYYUPB-UHFFFAOYSA-N 0 3 184.283 0.999 20 0 ACADHN CNCC(=O)N1CCCSCC1 42444674 167986173 /nfs/dbraw/zinc/98/61/73/167986173.db2.gz FVIDQBKPULMMLW-UHFFFAOYSA-N 0 3 188.296 0.171 20 0 ACADHN CNCC(=O)N[C@H]1CCC[C@@H](C)C1 37256182 167987046 /nfs/dbraw/zinc/98/70/46/167987046.db2.gz ZYTTZSONCZTHPR-BDAKNGLRSA-N 0 3 184.283 0.901 20 0 ACADHN C[NH2+]C[C@@H]1CCCN(CC(=O)[O-])C1 40601367 168006778 /nfs/dbraw/zinc/00/67/78/168006778.db2.gz PBZZKWPLVBBHGO-QMMMGPOBSA-N 0 3 186.255 0.002 20 0 ACADHN COCC(C)(C)NCc1cnn(C)c1 135057170 343953893 /nfs/dbraw/zinc/95/38/93/343953893.db2.gz LIPUPJKMCLRSNK-UHFFFAOYSA-N 0 3 197.282 0.935 20 0 ACADHN C[NH2+]C[C@H]1CCCN(CC(=O)[O-])C1 40601369 168012108 /nfs/dbraw/zinc/01/21/08/168012108.db2.gz PBZZKWPLVBBHGO-MRVPVSSYSA-N 0 3 186.255 0.002 20 0 ACADHN CNCc1ccc(F)cn1 95761311 168018754 /nfs/dbraw/zinc/01/87/54/168018754.db2.gz SPNFGZMXFOMLEI-UHFFFAOYSA-N 0 3 140.161 0.940 20 0 ACADHN CNCc1ccns1 73657701 168019581 /nfs/dbraw/zinc/01/95/81/168019581.db2.gz JOMBIDXRIXTISW-UHFFFAOYSA-N 0 3 128.200 0.863 20 0 ACADHN C[C@@H]1CN(C(=O)[C@@H](C)N)CC[C@H]1C 135095781 343954855 /nfs/dbraw/zinc/95/48/55/343954855.db2.gz LRCJFCAIIXTJFQ-IWSPIJDZSA-N 0 3 184.283 0.838 20 0 ACADHN CNCc1ccncc1N 98179529 168019920 /nfs/dbraw/zinc/01/99/20/168019920.db2.gz HWKZKCLGIPDAEA-UHFFFAOYSA-N 0 3 137.186 0.383 20 0 ACADHN CNCc1cnc(N(C)C)s1 22862387 168020234 /nfs/dbraw/zinc/02/02/34/168020234.db2.gz OCVSVELTCKQISH-UHFFFAOYSA-N 0 3 171.269 0.929 20 0 ACADHN CNCc1cnn(C[C@H]2CCOC2)c1 54719217 168021741 /nfs/dbraw/zinc/02/17/41/168021741.db2.gz ZEDIEKRFEVIEBB-SECBINFHSA-N 0 3 195.266 0.639 20 0 ACADHN CNCc1cnn(C[C@H]2CCCO2)c1 54719134 168022063 /nfs/dbraw/zinc/02/20/63/168022063.db2.gz WQKAHBACPMRFIT-SNVBAGLBSA-N 0 3 195.266 0.782 20 0 ACADHN CNCc1cnn(-c2ncccn2)c1 40932545 168022306 /nfs/dbraw/zinc/02/23/06/168022306.db2.gz VCXLFPRBXBMWNM-UHFFFAOYSA-N 0 3 189.222 0.382 20 0 ACADHN CNCc1cnn(C[C@@H]2CCOC2)c1 54719215 168022986 /nfs/dbraw/zinc/02/29/86/168022986.db2.gz ZEDIEKRFEVIEBB-VIFPVBQESA-N 0 3 195.266 0.639 20 0 ACADHN CNCc1cnn(C[C@@H]2CCCO2)c1 54719133 168023480 /nfs/dbraw/zinc/02/34/80/168023480.db2.gz WQKAHBACPMRFIT-JTQLQIEISA-N 0 3 195.266 0.782 20 0 ACADHN CNCc1nc2cccnc2[nH]1 40443058 168023871 /nfs/dbraw/zinc/02/38/71/168023871.db2.gz BVKLBKOJKAAUOH-UHFFFAOYSA-N 0 3 162.196 0.677 20 0 ACADHN CNCc1cnn(-c2ccccn2)c1 40932424 168023983 /nfs/dbraw/zinc/02/39/83/168023983.db2.gz OAUBBVPIMZAIEZ-UHFFFAOYSA-N 0 3 188.234 0.987 20 0 ACADHN CNCc1cnn(C(F)F)c1 40544382 168024015 /nfs/dbraw/zinc/02/40/15/168024015.db2.gz GWQAWQUSZREAKN-UHFFFAOYSA-N 0 3 161.155 0.998 20 0 ACADHN CN[C@@H](C)C(=O)N(C)C1CCCC1 54071983 168029309 /nfs/dbraw/zinc/02/93/09/168029309.db2.gz HBFSFYZFXAPVAA-QMMMGPOBSA-N 0 3 184.283 0.995 20 0 ACADHN CN[C@@H](C)C(=O)N(C)C1CC1 54071975 168029357 /nfs/dbraw/zinc/02/93/57/168029357.db2.gz PBZIRRDBBLSIDO-LURJTMIESA-N 0 3 156.229 0.215 20 0 ACADHN CN[C@@H](C)C(=O)NCC1CCCC1 54072064 168029391 /nfs/dbraw/zinc/02/93/91/168029391.db2.gz PNCJJHWNFWPQLX-QMMMGPOBSA-N 0 3 184.283 0.901 20 0 ACADHN CN[C@@H](C)C(=O)NCc1cccs1 48775847 168029414 /nfs/dbraw/zinc/02/94/14/168029414.db2.gz HTZLNROVSPZFNB-ZETCQYMHSA-N 0 3 198.291 0.972 20 0 ACADHN CN[C@@H](C)C(=O)NC1CCC1 54076985 168029461 /nfs/dbraw/zinc/02/94/61/168029461.db2.gz LDBXSAZWBNJPFM-LURJTMIESA-N 0 3 156.229 0.263 20 0 ACADHN CN[C@@H](C)C(=O)Nc1ccc(O)cc1 54074108 168029616 /nfs/dbraw/zinc/02/96/16/168029616.db2.gz QUCPCMMKHWQCHS-ZETCQYMHSA-N 0 3 194.234 0.939 20 0 ACADHN CN[C@@H](C)C(=O)N1CCCC1 20299771 168029620 /nfs/dbraw/zinc/02/96/20/168029620.db2.gz CLOMLSXGBGDLRD-ZETCQYMHSA-N 0 3 156.229 0.217 20 0 ACADHN CN[C@@H](C)C(=O)NCC(C)(C)C 54076031 168029648 /nfs/dbraw/zinc/02/96/48/168029648.db2.gz SLRPVVYBUXERPH-ZETCQYMHSA-N 0 3 172.272 0.757 20 0 ACADHN CN[C@@H](C)C(=O)N(C)[C@@H](C)C1CC1 54072345 168029754 /nfs/dbraw/zinc/02/97/54/168029754.db2.gz VHARBDWTRIFDMR-YUMQZZPRSA-N 0 3 184.283 0.851 20 0 ACADHN CN[C@@H](C)C(=O)Nc1cccc(C)n1 54071795 168029779 /nfs/dbraw/zinc/02/97/79/168029779.db2.gz ZQRVTDBSCVRZOA-QMMMGPOBSA-N 0 3 193.250 0.936 20 0 ACADHN CN[C@@H](C)C(=O)Nc1cc(C)ccn1 54071828 168029804 /nfs/dbraw/zinc/02/98/04/168029804.db2.gz ZNEXIADQHRHYJP-QMMMGPOBSA-N 0 3 193.250 0.936 20 0 ACADHN CN[C@@H](C)C(=O)N1CCC[C@@H](C)C1 47864608 168029972 /nfs/dbraw/zinc/02/99/72/168029972.db2.gz IPBMHXVKDSFKGG-BDAKNGLRSA-N 0 3 184.283 0.853 20 0 ACADHN CN[C@@H](C)C(=O)NCc1cc(C)no1 54076798 168030106 /nfs/dbraw/zinc/03/01/06/168030106.db2.gz PHYJORORDJJHOI-ZETCQYMHSA-N 0 3 197.238 0.207 20 0 ACADHN CN[C@@H](C)C(=O)N1CCC[C@@H]1C 54075618 168030160 /nfs/dbraw/zinc/03/01/60/168030160.db2.gz OUYQAIGAWWEDHK-YUMQZZPRSA-N 0 3 170.256 0.605 20 0 ACADHN CN[C@@H](C)C(=O)N1CCC[C@H](C)C1 47864609 168030200 /nfs/dbraw/zinc/03/02/00/168030200.db2.gz IPBMHXVKDSFKGG-IUCAKERBSA-N 0 3 184.283 0.853 20 0 ACADHN CN[C@@H](C)C(=O)NCc1ccc(C)o1 54077014 168030318 /nfs/dbraw/zinc/03/03/18/168030318.db2.gz WRYWGLUTPIRJTO-QMMMGPOBSA-N 0 3 196.250 0.812 20 0 ACADHN CN[C@@H](C)C(=O)NCc1cccnc1 54071859 168030341 /nfs/dbraw/zinc/03/03/41/168030341.db2.gz GCKOKABJLKUIHP-QMMMGPOBSA-N 0 3 193.250 0.306 20 0 ACADHN CN[C@@H](C)C(=O)Nc1ncc(C)s1 54071662 168030377 /nfs/dbraw/zinc/03/03/77/168030377.db2.gz 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32009217 168165987 /nfs/dbraw/zinc/16/59/87/168165987.db2.gz AODQYCPQZLDHRQ-NSHDSACASA-N 0 3 195.262 0.956 20 0 ACADHN COCCNC[C@@H](O)c1ccccn1 32009364 168166222 /nfs/dbraw/zinc/16/62/22/168166222.db2.gz CMIYZUMDOBKVPW-SNVBAGLBSA-N 0 3 196.250 0.351 20 0 ACADHN COCCNC[C@H](O)c1ccccn1 32009366 168166797 /nfs/dbraw/zinc/16/67/97/168166797.db2.gz CMIYZUMDOBKVPW-JTQLQIEISA-N 0 3 196.250 0.351 20 0 ACADHN COCCNCc1c[nH]nc1C 36901402 168167743 /nfs/dbraw/zinc/16/77/43/168167743.db2.gz RCOVOMSEXXEHPC-UHFFFAOYSA-N 0 3 169.228 0.454 20 0 ACADHN COCCNCc1ccc(N)cn1 129109548 168168050 /nfs/dbraw/zinc/16/80/50/168168050.db2.gz WWHKRLNIVQCZED-UHFFFAOYSA-N 0 3 181.239 0.400 20 0 ACADHN COCCNc1nc(C)cc(N)n1 58824163 168170530 /nfs/dbraw/zinc/17/05/30/168170530.db2.gz ONDRSDIJAHMISB-UHFFFAOYSA-N 0 3 182.227 0.426 20 0 ACADHN COCCOc1ccnc(C(=N)N)c1 61814537 168171610 /nfs/dbraw/zinc/17/16/10/168171610.db2.gz DWXCDZPTAORXKR-UHFFFAOYSA-N 0 3 195.222 0.391 20 0 ACADHN COCC[C@H](C)NCC(=O)N(C)C 45019099 168172728 /nfs/dbraw/zinc/17/27/28/168172728.db2.gz DXCRXOTZYVGJOZ-QMMMGPOBSA-N 0 3 188.271 0.089 20 0 ACADHN COCC[C@@H](C)NCc1cnn(C)c1 45037992 168172987 /nfs/dbraw/zinc/17/29/87/168172987.db2.gz KEYGFWXZLOUKHW-SECBINFHSA-N 0 3 197.282 0.935 20 0 ACADHN COCC[C@@H](C)NCC(=O)N(C)C 45019101 168173119 /nfs/dbraw/zinc/17/31/19/168173119.db2.gz DXCRXOTZYVGJOZ-MRVPVSSYSA-N 0 3 188.271 0.089 20 0 ACADHN COCC[C@H](C)NCc1cc[nH]n1 45037962 168173189 /nfs/dbraw/zinc/17/31/89/168173189.db2.gz BTWUKFBENWEOCB-QMMMGPOBSA-N 0 3 183.255 0.924 20 0 ACADHN COCC[C@@H](C)NCc1cc[nH]n1 45037965 168173260 /nfs/dbraw/zinc/17/32/60/168173260.db2.gz BTWUKFBENWEOCB-MRVPVSSYSA-N 0 3 183.255 0.924 20 0 ACADHN COCC[C@H](C)NCc1cnn(C)c1 45037989 168173440 /nfs/dbraw/zinc/17/34/40/168173440.db2.gz KEYGFWXZLOUKHW-VIFPVBQESA-N 0 3 197.282 0.935 20 0 ACADHN COC[C@@H](C)CNC(=O)C(C)(C)N 41679437 168178038 /nfs/dbraw/zinc/17/80/38/168178038.db2.gz ZMTBDVWTPPDBCB-ZETCQYMHSA-N 0 3 188.271 0.122 20 0 ACADHN COC[C@@H](C)CNCc1cc[nH]n1 45657426 168178493 /nfs/dbraw/zinc/17/84/93/168178493.db2.gz XFHMTQBENTZWIE-QMMMGPOBSA-N 0 3 183.255 0.782 20 0 ACADHN COC[C@@H](C)CNCc1ncc[nH]1 45658175 168179264 /nfs/dbraw/zinc/17/92/64/168179264.db2.gz QPCIQVGUUMDJJW-QMMMGPOBSA-N 0 3 183.255 0.782 20 0 ACADHN COC[C@@H](C)CNCc1ccnn1C 45657413 168179680 /nfs/dbraw/zinc/17/96/80/168179680.db2.gz RXAYKCABFIUCAI-VIFPVBQESA-N 0 3 197.282 0.792 20 0 ACADHN COC[C@@H](C)NC(=O)[C@H](N)C(C)C 19422172 168180047 /nfs/dbraw/zinc/18/00/47/168180047.db2.gz MLNGKSWGOLMMEK-HTQZYQBOSA-N 0 3 188.271 0.121 20 0 ACADHN COC[C@@H](C)NCC(=O)NC(C)C 20041791 168180138 /nfs/dbraw/zinc/18/01/38/168180138.db2.gz TUGFPVGTABFTOS-MRVPVSSYSA-N 0 3 188.271 0.136 20 0 ACADHN COC[C@@H](C)NCc1cnn(C)c1C 86551862 168180210 /nfs/dbraw/zinc/18/02/10/168180210.db2.gz BUDUNMYHKDKZTD-MRVPVSSYSA-N 0 3 197.282 0.853 20 0 ACADHN COC[C@@H](C)NC(=O)[C@@H](N)C(C)C 19422168 168180403 /nfs/dbraw/zinc/18/04/03/168180403.db2.gz MLNGKSWGOLMMEK-SFYZADRCSA-N 0 3 188.271 0.121 20 0 ACADHN COC[C@@H](C)N1CCCOCC1 335539977 168180941 /nfs/dbraw/zinc/18/09/41/168180941.db2.gz CXPUNFXPFQFYKE-SECBINFHSA-N 0 3 173.256 0.744 20 0 ACADHN COC[C@@H](C)N[C@H](C)C(=O)N(C)C 20309325 168181039 /nfs/dbraw/zinc/18/10/39/168181039.db2.gz VFWCOKMYVKBYJK-HTQZYQBOSA-N 0 3 188.271 0.088 20 0 ACADHN COC[C@@H](C)NCc1cnn(C)c1 20074991 168181184 /nfs/dbraw/zinc/18/11/84/168181184.db2.gz AUUVQNNWVOTHBK-MRVPVSSYSA-N 0 3 183.255 0.545 20 0 ACADHN COC[C@@H](C)NC(=O)CNC(C)C 37394787 168181944 /nfs/dbraw/zinc/18/19/44/168181944.db2.gz FRKNNYKEZOMHMU-MRVPVSSYSA-N 0 3 188.271 0.136 20 0 ACADHN COC[C@@H](C)N[C@@H](C)C(=O)N(C)C 20309319 168182000 /nfs/dbraw/zinc/18/20/00/168182000.db2.gz VFWCOKMYVKBYJK-SFYZADRCSA-N 0 3 188.271 0.088 20 0 ACADHN COC[C@@H]1CNCC(C)(C)O1 83459917 168185282 /nfs/dbraw/zinc/18/52/82/168185282.db2.gz MVQWSVQLLPTBPV-ZETCQYMHSA-N 0 3 159.229 0.400 20 0 in-vitro ACADHN COC[C@H](C)CNCc1ccnn1C 45657415 168187197 /nfs/dbraw/zinc/18/71/97/168187197.db2.gz RXAYKCABFIUCAI-SECBINFHSA-N 0 3 197.282 0.792 20 0 ACADHN COC[C@H](C)NC(=O)CNC(C)C 37394786 168187342 /nfs/dbraw/zinc/18/73/42/168187342.db2.gz FRKNNYKEZOMHMU-QMMMGPOBSA-N 0 3 188.271 0.136 20 0 ACADHN COC[C@H](C)N1CCCOCC1 335539979 168187500 /nfs/dbraw/zinc/18/75/00/168187500.db2.gz CXPUNFXPFQFYKE-VIFPVBQESA-N 0 3 173.256 0.744 20 0 ACADHN COC[C@H](C)NC(=O)[C@@H](N)C(C)C 19422170 168187559 /nfs/dbraw/zinc/18/75/59/168187559.db2.gz MLNGKSWGOLMMEK-YUMQZZPRSA-N 0 3 188.271 0.121 20 0 ACADHN COC[C@H](C)CNC(=O)C(C)(C)N 41679438 168187666 /nfs/dbraw/zinc/18/76/66/168187666.db2.gz ZMTBDVWTPPDBCB-SSDOTTSWSA-N 0 3 188.271 0.122 20 0 ACADHN COC[C@H](C)CNCc1ncc[nH]1 45658177 168188183 /nfs/dbraw/zinc/18/81/83/168188183.db2.gz QPCIQVGUUMDJJW-MRVPVSSYSA-N 0 3 183.255 0.782 20 0 ACADHN COC[C@H](C)NC(=O)[C@H](N)C(C)C 19422174 168188216 /nfs/dbraw/zinc/18/82/16/168188216.db2.gz MLNGKSWGOLMMEK-JGVFFNPUSA-N 0 3 188.271 0.121 20 0 ACADHN COC[C@H](C)CNCc1cc[nH]n1 45657428 168188711 /nfs/dbraw/zinc/18/87/11/168188711.db2.gz XFHMTQBENTZWIE-MRVPVSSYSA-N 0 3 183.255 0.782 20 0 ACADHN COC[C@H](C)NCc1cnn(C)c1 20074994 168189022 /nfs/dbraw/zinc/18/90/22/168189022.db2.gz AUUVQNNWVOTHBK-QMMMGPOBSA-N 0 3 183.255 0.545 20 0 ACADHN COC[C@H](C)NCc1cnn(C)c1C 86551861 168189244 /nfs/dbraw/zinc/18/92/44/168189244.db2.gz BUDUNMYHKDKZTD-QMMMGPOBSA-N 0 3 197.282 0.853 20 0 ACADHN COC[C@H](C)NCC(=O)NC(C)C 20041794 168189437 /nfs/dbraw/zinc/18/94/37/168189437.db2.gz TUGFPVGTABFTOS-QMMMGPOBSA-N 0 3 188.271 0.136 20 0 ACADHN COC[C@H](C)N[C@@H](C)C(=O)N(C)C 20309322 168190283 /nfs/dbraw/zinc/19/02/83/168190283.db2.gz VFWCOKMYVKBYJK-YUMQZZPRSA-N 0 3 188.271 0.088 20 0 ACADHN COC[C@H](C)N[C@H](C)C(=O)N(C)C 20309328 168190353 /nfs/dbraw/zinc/19/03/53/168190353.db2.gz VFWCOKMYVKBYJK-JGVFFNPUSA-N 0 3 188.271 0.088 20 0 ACADHN COCc1cc(CN)nc(C)n1 82402543 168193161 /nfs/dbraw/zinc/19/31/61/168193161.db2.gz LERZVIRUZFQFSR-UHFFFAOYSA-N 0 3 167.212 0.390 20 0 ACADHN COC[C@H]1CNCC(C)(C)O1 83459915 168193362 /nfs/dbraw/zinc/19/33/62/168193362.db2.gz MVQWSVQLLPTBPV-SSDOTTSWSA-N 0 3 159.229 0.400 20 0 in-vitro ACADHN COCc1cccnc1C(=N)N 61658566 168194683 /nfs/dbraw/zinc/19/46/83/168194683.db2.gz ZGSANPGFJNTINY-UHFFFAOYSA-N 0 3 165.196 0.512 20 0 ACADHN COCc1cccc(CNCCO)c1 38010938 168195020 /nfs/dbraw/zinc/19/50/20/168195020.db2.gz XXYIYHRZXHSUNQ-UHFFFAOYSA-N 0 3 195.262 0.915 20 0 ACADHN COCc1cc(CN)ncn1 82407427 168195366 /nfs/dbraw/zinc/19/53/66/168195366.db2.gz CTRWUBUIJKUJHW-UHFFFAOYSA-N 0 3 153.185 0.082 20 0 ACADHN COCc1nc(CN)cs1 20438861 168197411 /nfs/dbraw/zinc/19/74/11/168197411.db2.gz BQMGHENQFGMTNV-UHFFFAOYSA-N 0 3 158.226 0.748 20 0 in-vitro ACADHN CON(C)C(=O)C1(N)CCCCC1 40859569 168197825 /nfs/dbraw/zinc/19/78/25/168197825.db2.gz TYGYSIIRKWQSPY-UHFFFAOYSA-N 0 3 186.255 0.668 20 0 ACADHN COCc1noc([C@@H]2CCCN2)n1 45893182 168198100 /nfs/dbraw/zinc/19/81/00/168198100.db2.gz FNLRQROPTZIBRA-LURJTMIESA-N 0 3 183.211 0.641 20 0 ACADHN COCc1noc([C@H]2CCCN2)n1 45893188 168198136 /nfs/dbraw/zinc/19/81/36/168198136.db2.gz FNLRQROPTZIBRA-ZCFIWIBFSA-N 0 3 183.211 0.641 20 0 ACADHN CON(C)C(=O)CNC(C)C 40859599 168198280 /nfs/dbraw/zinc/19/82/80/168198280.db2.gz KNDLYWLMEQXBDV-UHFFFAOYSA-N 0 3 160.217 0.004 20 0 ACADHN CON(C)C(=O)C1(N)CCCC1 40859611 168198731 /nfs/dbraw/zinc/19/87/31/168198731.db2.gz XUFDZEIOPLGRDU-UHFFFAOYSA-N 0 3 172.228 0.278 20 0 ACADHN CON(C)C(=O)CNC1CCCC1 40859633 168198780 /nfs/dbraw/zinc/19/87/80/168198780.db2.gz NOTYYUDNSMUWSY-UHFFFAOYSA-N 0 3 186.255 0.538 20 0 ACADHN CON(C)C(=O)CNCC1CC1 40859605 168199037 /nfs/dbraw/zinc/19/90/37/168199037.db2.gz IXZRROOVUOPBCK-UHFFFAOYSA-N 0 3 172.228 0.006 20 0 ACADHN CON(C)C(=O)[C@@H](N)C(C)(C)C 40859657 168199617 /nfs/dbraw/zinc/19/96/17/168199617.db2.gz ONKPBILWLJJTBR-ZCFIWIBFSA-N 0 3 174.244 0.380 20 0 ACADHN CON(C)C(=O)[C@H]1CCCCN1 22113907 168199914 /nfs/dbraw/zinc/19/99/14/168199914.db2.gz OVVWFOXHEJNJGT-SSDOTTSWSA-N 0 3 172.228 0.148 20 0 ACADHN CON(C)C(=O)[C@@H](N)CC(C)C 34130554 168199995 /nfs/dbraw/zinc/19/99/95/168199995.db2.gz VORXCBYXWCFUGJ-ZETCQYMHSA-N 0 3 174.244 0.380 20 0 ACADHN CON(C)C(=O)[C@@H]1CCCCN1 22113903 168200697 /nfs/dbraw/zinc/20/06/97/168200697.db2.gz OVVWFOXHEJNJGT-ZETCQYMHSA-N 0 3 172.228 0.148 20 0 ACADHN CON(C)C(=O)[C@H](N)CC(C)C 34130556 168200733 /nfs/dbraw/zinc/20/07/33/168200733.db2.gz VORXCBYXWCFUGJ-SSDOTTSWSA-N 0 3 174.244 0.380 20 0 ACADHN CO[C@@H](CN)c1nccs1 20418278 168204723 /nfs/dbraw/zinc/20/47/23/168204723.db2.gz ZOTCSCFMXWBVEJ-YFKPBYRVSA-N 0 3 158.226 0.789 20 0 ACADHN CO[C@@H]1CCCN(C(=O)C2(N)CC2)C1 226316638 168205770 /nfs/dbraw/zinc/20/57/70/168205770.db2.gz BJWMRXUIDKLRRW-MRVPVSSYSA-N 0 3 198.266 0.115 20 0 ACADHN CO[C@@H]1CCN(Cc2cnc[nH]2)C1 306420738 168207047 /nfs/dbraw/zinc/20/70/47/168207047.db2.gz XQZFEOAVJUJGGC-SECBINFHSA-N 0 3 181.239 0.630 20 0 ACADHN CO[C@@H]1CCC[C@H]1NC(=O)[C@H](C)N 50374162 168207156 /nfs/dbraw/zinc/20/71/56/168207156.db2.gz MFTSGZZTEFOXRX-XLPZGREQSA-N 0 3 186.255 0.017 20 0 ACADHN CO[C@@H]1CCN(C[C@H]2CCCO2)C1 306149205 168207308 /nfs/dbraw/zinc/20/73/08/168207308.db2.gz ABRHWJPQKAIFKH-NXEZZACHSA-N 0 3 185.267 0.886 20 0 ACADHN CO[C@@H]1CCN(C[C@@H]2CCCO2)C1 336631364 168207512 /nfs/dbraw/zinc/20/75/12/168207512.db2.gz ABRHWJPQKAIFKH-ZJUUUORDSA-N 0 3 185.267 0.886 20 0 ACADHN CO[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)N 50374180 168207547 /nfs/dbraw/zinc/20/75/47/168207547.db2.gz MFTSGZZTEFOXRX-BWZBUEFSSA-N 0 3 186.255 0.017 20 0 ACADHN CO[C@@H]1CCN(Cc2c[nH]nc2C)C1 335313952 168207604 /nfs/dbraw/zinc/20/76/04/168207604.db2.gz ZVHWLBSDFYNYEI-SNVBAGLBSA-N 0 3 195.266 0.939 20 0 ACADHN CO[C@@H]1CN(CC=C(C)C)C[C@H]1O 307605367 168210526 /nfs/dbraw/zinc/21/05/26/168210526.db2.gz YGGLMULRHCYMKD-NXEZZACHSA-N 0 3 185.267 0.644 20 0 ACADHN CO[C@H](CN)c1nccs1 20418281 168213183 /nfs/dbraw/zinc/21/31/83/168213183.db2.gz ZOTCSCFMXWBVEJ-RXMQYKEDSA-N 0 3 158.226 0.789 20 0 ACADHN CO[C@H](C)CN1CCN(C)C[C@H]1C 335516551 168213211 /nfs/dbraw/zinc/21/32/11/168213211.db2.gz PNYCWXKPUWPECA-NXEZZACHSA-N 0 3 186.299 0.657 20 0 ACADHN CO[C@H](C)CN1CCN(C)C[C@@H]1C 335516555 168213318 /nfs/dbraw/zinc/21/33/18/168213318.db2.gz PNYCWXKPUWPECA-VHSXEESVSA-N 0 3 186.299 0.657 20 0 ACADHN CO[C@H]1CCCN(C(=O)C2(N)CC2)C1 226316642 168215837 /nfs/dbraw/zinc/21/58/37/168215837.db2.gz BJWMRXUIDKLRRW-QMMMGPOBSA-N 0 3 198.266 0.115 20 0 ACADHN CO[C@H]1CCN(C[C@@H]2CCCO2)C1 336631363 168216707 /nfs/dbraw/zinc/21/67/07/168216707.db2.gz ABRHWJPQKAIFKH-UWVGGRQHSA-N 0 3 185.267 0.886 20 0 ACADHN CO[C@H]1CCN(C[C@H]2CCCO2)C1 306702422 168216808 /nfs/dbraw/zinc/21/68/08/168216808.db2.gz ABRHWJPQKAIFKH-VHSXEESVSA-N 0 3 185.267 0.886 20 0 ACADHN CO[C@H]1CCN(Cc2cnc[nH]2)C1 306298443 168217182 /nfs/dbraw/zinc/21/71/82/168217182.db2.gz XQZFEOAVJUJGGC-VIFPVBQESA-N 0 3 181.239 0.630 20 0 ACADHN CO[C@H]1CCN([C@@H]2CCOC2)C1 336552586 168217432 /nfs/dbraw/zinc/21/74/32/168217432.db2.gz NODGVAZTJSKBAA-BDAKNGLRSA-N 0 3 171.240 0.496 20 0 ACADHN CO[C@H]1CCN(Cc2c[nH]nc2C)C1 334373373 168217762 /nfs/dbraw/zinc/21/77/62/168217762.db2.gz ZVHWLBSDFYNYEI-JTQLQIEISA-N 0 3 195.266 0.939 20 0 ACADHN CO[C@H]1CCN([C@H]2CCOC2)C1 336552588 168217788 /nfs/dbraw/zinc/21/77/88/168217788.db2.gz NODGVAZTJSKBAA-IUCAKERBSA-N 0 3 171.240 0.496 20 0 ACADHN COc1cc(CNCCO)ccc1F 83343154 168233785 /nfs/dbraw/zinc/23/37/85/168233785.db2.gz QGJUPZJXOPZZMQ-UHFFFAOYSA-N 0 3 199.225 0.916 20 0 ACADHN COc1cc(CN)cc(OC)n1 83270669 168233921 /nfs/dbraw/zinc/23/39/21/168233921.db2.gz RSBBLXCLTNDPLC-UHFFFAOYSA-N 0 3 168.196 0.558 20 0 ACADHN COc1cc(CN)cc(F)n1 95766887 168234218 /nfs/dbraw/zinc/23/42/18/168234218.db2.gz WKDXUQQXKLGIMT-UHFFFAOYSA-N 0 3 156.160 0.688 20 0 ACADHN Cc1ccncc1[C@@H](N)CC(N)=O 135497943 343964153 /nfs/dbraw/zinc/96/41/53/343964153.db2.gz UPONQTNOCKCEBU-QMMMGPOBSA-N 0 3 179.223 0.265 20 0 ACADHN COc1cc(NCCN(C)C)ncn1 82482193 168237662 /nfs/dbraw/zinc/23/76/62/168237662.db2.gz JLOYAHVNBCPBRQ-UHFFFAOYSA-N 0 3 196.254 0.459 20 0 ACADHN COc1cc(OC)cc([C@@H](N)CO)c1 38124693 168238422 /nfs/dbraw/zinc/23/84/22/168238422.db2.gz XWXNGXAJTYOQRJ-JTQLQIEISA-N 0 3 197.234 0.696 20 0 ACADHN COc1ccc(C2(N)CNC2)cc1 91691779 168248297 /nfs/dbraw/zinc/24/82/97/168248297.db2.gz FMZPCEGWAZYWID-UHFFFAOYSA-N 0 3 178.235 0.452 20 0 ACADHN COc1ccc(CNCCO)cc1F 35116506 168250582 /nfs/dbraw/zinc/25/05/82/168250582.db2.gz VVDJSGIPMHMQIS-UHFFFAOYSA-N 0 3 199.225 0.916 20 0 ACADHN COc1ccc(NC(=O)[C@H](C)N)cn1 19485669 168253972 /nfs/dbraw/zinc/25/39/72/168253972.db2.gz PMCBCUQITWRPQL-LURJTMIESA-N 0 3 195.222 0.376 20 0 ACADHN COc1ccc(NC(=O)[C@@H](C)N)cn1 19485667 168255134 /nfs/dbraw/zinc/25/51/34/168255134.db2.gz PMCBCUQITWRPQL-ZCFIWIBFSA-N 0 3 195.222 0.376 20 0 ACADHN COc1ccc(OC)c([C@H](N)CN)c1 35677027 168256650 /nfs/dbraw/zinc/25/66/50/168256650.db2.gz IOHBRPOFEVVLBQ-SECBINFHSA-N 0 3 196.250 0.662 20 0 ACADHN COc1ccc(OC)c([C@@H](N)CN)c1 35677028 168257014 /nfs/dbraw/zinc/25/70/14/168257014.db2.gz IOHBRPOFEVVLBQ-VIFPVBQESA-N 0 3 196.250 0.662 20 0 ACADHN COc1ccc([C@@H](N)CN)c(OC)c1 35677119 168257448 /nfs/dbraw/zinc/25/74/48/168257448.db2.gz MRJCTSXFQOEYIJ-VIFPVBQESA-N 0 3 196.250 0.662 20 0 ACADHN COc1ccc([C@@H](N)CCO)cc1O 12649978 168258556 /nfs/dbraw/zinc/25/85/56/168258556.db2.gz OXSZTNZUDMWDOJ-QMMMGPOBSA-N 0 3 197.234 0.783 20 0 in-vitro ACADHN COc1ccc([C@H](N)CN)c(OC)c1 35677118 168259231 /nfs/dbraw/zinc/25/92/31/168259231.db2.gz MRJCTSXFQOEYIJ-SECBINFHSA-N 0 3 196.250 0.662 20 0 ACADHN COc1cccc(F)c1[C@@H](O)CN 76166371 168268727 /nfs/dbraw/zinc/26/87/27/168268727.db2.gz VHEJXPANGZUIQX-ZETCQYMHSA-N 0 3 185.198 0.826 20 0 ACADHN COc1cccc(F)c1[C@@H](N)CN 72200210 168269368 /nfs/dbraw/zinc/26/93/68/168269368.db2.gz ZPMSNZGQYOWRLS-ZETCQYMHSA-N 0 3 184.214 0.793 20 0 ACADHN COc1cccc(NC(=O)[C@H](C)N)c1 11957707 168269666 /nfs/dbraw/zinc/26/96/66/168269666.db2.gz JGTAAPYSQNMIFW-ZETCQYMHSA-N 0 3 194.234 0.981 20 0 ACADHN COc1cccc(NC(=O)[C@@H](C)N)c1 19505272 168269792 /nfs/dbraw/zinc/26/97/92/168269792.db2.gz JGTAAPYSQNMIFW-SSDOTTSWSA-N 0 3 194.234 0.981 20 0 ACADHN COc1cccc(F)c1[C@H](N)CN 72200209 168269861 /nfs/dbraw/zinc/26/98/61/168269861.db2.gz ZPMSNZGQYOWRLS-SSDOTTSWSA-N 0 3 184.214 0.793 20 0 ACADHN COc1cccc(F)c1[C@H](O)CN 76166370 168270000 /nfs/dbraw/zinc/27/00/00/168270000.db2.gz VHEJXPANGZUIQX-SSDOTTSWSA-N 0 3 185.198 0.826 20 0 ACADHN COc1cccc([C@@H](N)CO)n1 75085401 168270521 /nfs/dbraw/zinc/27/05/21/168270521.db2.gz SSDSJKZZMWPWHQ-LURJTMIESA-N 0 3 168.196 0.082 20 0 ACADHN COc1cncc(CN)c1C 215666342 168281748 /nfs/dbraw/zinc/28/17/48/168281748.db2.gz SHAXXPXDIQSSSC-UHFFFAOYSA-N 0 3 152.197 0.857 20 0 ACADHN COc1ncc(CN)cc1F 88189857 168285681 /nfs/dbraw/zinc/28/56/81/168285681.db2.gz MTLXOBLQKWSCEP-UHFFFAOYSA-N 0 3 156.160 0.688 20 0 ACADHN COc1ncccc1C(=N)N 19439104 168287703 /nfs/dbraw/zinc/28/77/03/168287703.db2.gz UWQBQOMQJVTLBC-UHFFFAOYSA-N 0 3 151.169 0.374 20 0 in-vitro ACADHN COc1nccc(CN)c1F 95764133 168288423 /nfs/dbraw/zinc/28/84/23/168288423.db2.gz URGBOFWKZLLWPM-UHFFFAOYSA-N 0 3 156.160 0.688 20 0 ACADHN CS(=O)(=O)CCNC1CCCC1 37489565 168292149 /nfs/dbraw/zinc/29/21/49/168292149.db2.gz YFIIBBIDUNHGAZ-UHFFFAOYSA-N 0 3 191.296 0.563 20 0 ACADHN CSCC(=O)N1CCCNCC1 20248673 168299034 /nfs/dbraw/zinc/29/90/34/168299034.db2.gz SPCOAEQEBVYGGS-UHFFFAOYSA-N 0 3 188.296 0.171 20 0 ACADHN CSCC[C@H](N)C(=O)NC1CC1 11754906 168302236 /nfs/dbraw/zinc/30/22/36/168302236.db2.gz SYUBCGQYJRNKBE-ZETCQYMHSA-N 0 3 188.296 0.345 20 0 ACADHN CS[C@H]1CCN([C@H](C)C(N)=O)C1 307739484 168307380 /nfs/dbraw/zinc/30/73/80/168307380.db2.gz YZTJYLBHNGATER-RQJHMYQMSA-N 0 3 188.296 0.298 20 0 ACADHN CS[C@@H]1CCN([C@H](C)C(N)=O)C1 307739483 168308035 /nfs/dbraw/zinc/30/80/35/168308035.db2.gz YZTJYLBHNGATER-RNFRBKRXSA-N 0 3 188.296 0.298 20 0 ACADHN CS[C@H]1CCN([C@@H](C)C(N)=O)C1 307739481 168308204 /nfs/dbraw/zinc/30/82/04/168308204.db2.gz YZTJYLBHNGATER-BQBZGAKWSA-N 0 3 188.296 0.298 20 0 ACADHN CS[C@@H]1CCN([C@@H](C)C(N)=O)C1 307739482 168308230 /nfs/dbraw/zinc/30/82/30/168308230.db2.gz YZTJYLBHNGATER-NKWVEPMBSA-N 0 3 188.296 0.298 20 0 ACADHN CSc1ncc2c(n1)CCNC2 84227019 168315952 /nfs/dbraw/zinc/31/59/52/168315952.db2.gz KRNFMHYGPVOQDF-UHFFFAOYSA-N 0 3 181.264 0.844 20 0 ACADHN CSc1ncc(CN)cn1 39090806 168316141 /nfs/dbraw/zinc/31/61/41/168316141.db2.gz RURKOVGIEFADMS-UHFFFAOYSA-N 0 3 155.226 0.657 20 0 ACADHN C[C@@H](C(=O)NC(N)=O)N1CCC[C@H]1C 336040312 168325163 /nfs/dbraw/zinc/32/51/63/168325163.db2.gz AHIUZZLJUWSWQI-RQJHMYQMSA-N 0 3 199.254 0.054 20 0 ACADHN C[C@@H](C(N)=O)N1CC[C@](O)(C2CC2)C1 334215764 168325187 /nfs/dbraw/zinc/32/51/87/168325187.db2.gz UQZCAAARCOZBGA-OIBJUYFYSA-N 0 3 198.266 0.757 20 0 ACADHN C[C@@H](C(=O)N(C)C)N1CCC[C@H]1C 307414914 168325296 /nfs/dbraw/zinc/32/52/96/168325296.db2.gz UCPUPCURBHDQKV-BDAKNGLRSA-N 0 3 184.283 0.947 20 0 ACADHN C[C@@H](C(N)=O)N1CC[C@@](O)(C2CC2)C1 334215768 168325368 /nfs/dbraw/zinc/32/53/68/168325368.db2.gz UQZCAAARCOZBGA-XVKPBYJWSA-N 0 3 198.266 0.757 20 0 ACADHN C[C@@H](C(=O)NC1CC1)N1CC[C@@H](C)C1 334343514 168325988 /nfs/dbraw/zinc/32/59/88/168325988.db2.gz MHRHDXCZMCJOFD-BDAKNGLRSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@@H](C(=O)NC1CC1)N1CCCC1 306786087 168326147 /nfs/dbraw/zinc/32/61/47/168326147.db2.gz KOYMCSBCUSTRBE-QMMMGPOBSA-N 0 3 182.267 0.749 20 0 ACADHN C[C@@H](C(=O)N(C)C)N1CC[C@@H](C)C1 307749577 168326444 /nfs/dbraw/zinc/32/64/44/168326444.db2.gz HDZJTIAICGPRLF-BDAKNGLRSA-N 0 3 184.283 0.805 20 0 ACADHN C[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](CN)C1 44531581 168326925 /nfs/dbraw/zinc/32/69/25/168326925.db2.gz XHOIZSVKFXHKDE-JGVFFNPUSA-N 0 3 186.255 0.130 20 0 ACADHN C[C@@H](C(=O)[O-])[N@H+]1CCC[C@H](CN)C1 44531581 168326926 /nfs/dbraw/zinc/32/69/26/168326926.db2.gz XHOIZSVKFXHKDE-JGVFFNPUSA-N 0 3 186.255 0.130 20 0 ACADHN C[C@@H](C(N)=O)N1CCC[C@H]1C 61678845 168328831 /nfs/dbraw/zinc/32/88/31/168328831.db2.gz JISWBFUDDDYKLK-RQJHMYQMSA-N 0 3 156.229 0.345 20 0 ACADHN C[C@@H](C(N)=O)N1CCCC2(CC2)C1 306925502 168329036 /nfs/dbraw/zinc/32/90/36/168329036.db2.gz MLFYVSGITWSWIF-QMMMGPOBSA-N 0 3 182.267 0.736 20 0 ACADHN C[C@@H](C(N)=O)N1CC[C@@H](C2CC2)C1 306579803 168329259 /nfs/dbraw/zinc/32/92/59/168329259.db2.gz XUJPYYCXJFWQRI-IONNQARKSA-N 0 3 182.267 0.592 20 0 ACADHN C[C@@H](C1CC1)N(C)C(=O)CN 36785739 168329272 /nfs/dbraw/zinc/32/92/72/168329272.db2.gz ZCLSUWJQXHZYLJ-LURJTMIESA-N 0 3 156.229 0.202 20 0 ACADHN C[C@@H](C(N)=O)N1CC[C@@H](C)C1 60837072 168329755 /nfs/dbraw/zinc/32/97/55/168329755.db2.gz BSFURKAODHMPJE-RQJHMYQMSA-N 0 3 156.229 0.202 20 0 ACADHN C[C@@H](C(N)=O)N1CCC[C@@H](C)CC1 70158200 168330313 /nfs/dbraw/zinc/33/03/13/168330313.db2.gz PINCLXTZLCWAGA-BDAKNGLRSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@@H](C(N)=O)N1CCC2(CCC2)C1 307301948 168330376 /nfs/dbraw/zinc/33/03/76/168330376.db2.gz YFYCUJSHNYCOJW-QMMMGPOBSA-N 0 3 182.267 0.736 20 0 ACADHN C[C@@H](C(N)=O)N1CC[C@H](C2CC2)C1 306579802 168330445 /nfs/dbraw/zinc/33/04/45/168330445.db2.gz XUJPYYCXJFWQRI-CBAPKCEASA-N 0 3 182.267 0.592 20 0 ACADHN C[C@@H](C(N)=O)N1CCC(C)(C)CC1 61803917 168330479 /nfs/dbraw/zinc/33/04/79/168330479.db2.gz VJKONNVPUFOGMG-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@@H](C1CC1)N(C)C(=O)C(C)(C)N 40920799 168330508 /nfs/dbraw/zinc/33/05/08/168330508.db2.gz PBRJLNJWAIMBIS-ZETCQYMHSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@@H](C(N)=O)N1CCCC[C@@H](C)C1 307429001 168330525 /nfs/dbraw/zinc/33/05/25/168330525.db2.gz SWYHEIMEMKPAAF-BDAKNGLRSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@@H](C1CC1)N(C)C(=O)[C@@H](C)N 36785793 168330527 /nfs/dbraw/zinc/33/05/27/168330527.db2.gz BJFGAYBNEADQRW-RQJHMYQMSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@@H](CCCO)NCc1ccnn1C 87358769 168337217 /nfs/dbraw/zinc/33/72/17/168337217.db2.gz ZAKNFALUUJMOJL-VIFPVBQESA-N 0 3 197.282 0.671 20 0 ACADHN C[C@@H](CF)N[C@H]1CCOC1 306477616 168340592 /nfs/dbraw/zinc/34/05/92/168340592.db2.gz ALRZGCCUCAIWTD-BQBZGAKWSA-N 0 3 147.193 0.723 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)N1CCCC1 127668585 168341674 /nfs/dbraw/zinc/34/16/74/168341674.db2.gz CQJPRCRJFZRTTK-VIFPVBQESA-N 0 3 199.298 0.742 20 0 ACADHN C[C@@H](CF)N[C@@H]1CCOC1 306477620 168342046 /nfs/dbraw/zinc/34/20/46/168342046.db2.gz ALRZGCCUCAIWTD-NKWVEPMBSA-N 0 3 147.193 0.723 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)N1CCC1 308200898 168342110 /nfs/dbraw/zinc/34/21/10/168342110.db2.gz YEDOKKIIKSZEPG-QMMMGPOBSA-N 0 3 185.271 0.352 20 0 ACADHN C[C@@H](CN1CCCCC1)NC(N)=O 42295755 168346822 /nfs/dbraw/zinc/34/68/22/168346822.db2.gz ISLYGNKCVSYOFX-QMMMGPOBSA-N 0 3 185.271 0.529 20 0 ACADHN C[C@@H](CNC(=O)N(C)C)N1CCCC1 36077134 168347686 /nfs/dbraw/zinc/34/76/86/168347686.db2.gz TUJVIBACBCYQBH-VIFPVBQESA-N 0 3 199.298 0.742 20 0 ACADHN C[C@@H](CNC(=O)C1CC1)N1CCCC1 36076912 168348079 /nfs/dbraw/zinc/34/80/79/168348079.db2.gz UUMSONXUQXNVAH-VIFPVBQESA-N 0 3 196.294 0.997 20 0 ACADHN C[C@@H](CNC(N)=O)N1CCCCC1 44352015 168348107 /nfs/dbraw/zinc/34/81/07/168348107.db2.gz VLEMQVFJVYCWPU-QMMMGPOBSA-N 0 3 185.271 0.529 20 0 ACADHN C[C@@H](CNCc1ncc[nH]1)N(C)C 49715625 168348290 /nfs/dbraw/zinc/34/82/90/168348290.db2.gz SOUCIIMZBFQSDC-QMMMGPOBSA-N 0 3 182.271 0.449 20 0 ACADHN C[C@@H](CNc1ncccn1)N(C)C 37985878 168348463 /nfs/dbraw/zinc/34/84/63/168348463.db2.gz WYJNVBQESWBPFO-QMMMGPOBSA-N 0 3 180.255 0.839 20 0 ACADHN C[C@@H](CNC(=O)CN)c1ccccc1 40419374 168348842 /nfs/dbraw/zinc/34/88/42/168348842.db2.gz ORZLOLBPMDTOHG-VIFPVBQESA-N 0 3 192.262 0.865 20 0 ACADHN C[C@@H](CNc1cnccn1)N(C)C 37988033 168349469 /nfs/dbraw/zinc/34/94/69/168349469.db2.gz LDGLYMUXXBKSOH-QMMMGPOBSA-N 0 3 180.255 0.839 20 0 ACADHN C[C@@H](CO)NCc1cc[nH]c1 82522499 168349885 /nfs/dbraw/zinc/34/98/85/168349885.db2.gz QVBVICUNOHVRIR-ZETCQYMHSA-N 0 3 154.213 0.485 20 0 ACADHN C[C@@H](CO)NCc1ccc(O)cc1 35603835 168350304 /nfs/dbraw/zinc/35/03/04/168350304.db2.gz BEPMWPMWVULHAO-QMMMGPOBSA-N 0 3 181.235 0.863 20 0 ACADHN C[C@@H](CO)NCc1ccn(C)c1 82529133 168350768 /nfs/dbraw/zinc/35/07/68/168350768.db2.gz FZVYKQZLXKTSDP-QMMMGPOBSA-N 0 3 168.240 0.496 20 0 ACADHN C[C@@H](CO)NCc1ccco1 35603599 168351392 /nfs/dbraw/zinc/35/13/92/168351392.db2.gz KBSZIFIQGUSUAY-ZETCQYMHSA-N 0 3 155.197 0.750 20 0 ACADHN C[C@@H](CO)NCc1cccc(O)c1 35602620 168351691 /nfs/dbraw/zinc/35/16/91/168351691.db2.gz IRQDLFDJYCYPNK-QMMMGPOBSA-N 0 3 181.235 0.863 20 0 ACADHN C[C@@H](Cc1ccsc1)NC(=O)CN 49185078 168354021 /nfs/dbraw/zinc/35/40/21/168354021.db2.gz RVOVABVGRJXHFM-ZETCQYMHSA-N 0 3 198.291 0.754 20 0 ACADHN C[C@@H](Cc1cccs1)NC(=O)CN 37020961 168354434 /nfs/dbraw/zinc/35/44/34/168354434.db2.gz APEWWIDVQMMQKV-ZETCQYMHSA-N 0 3 198.291 0.754 20 0 ACADHN C[C@@H](F)CCN1CCNC(=O)CC1 306566644 168355566 /nfs/dbraw/zinc/35/55/66/168355566.db2.gz BFHIUDXXYUPESF-MRVPVSSYSA-N 0 3 188.246 0.556 20 0 ACADHN C[C@@H](F)CCN1CCN(C)CC1 307630107 168355778 /nfs/dbraw/zinc/35/57/78/168355778.db2.gz YDFAPHLHRCVXMU-SECBINFHSA-N 0 3 174.263 0.982 20 0 ACADHN C[C@@H](N(C)C(=O)CN)C(C)(C)C 37807092 168356285 /nfs/dbraw/zinc/35/62/85/168356285.db2.gz NCYLQNAWSNYBHQ-SSDOTTSWSA-N 0 3 172.272 0.838 20 0 ACADHN C[C@@H](F)CCN1CCOC[C@@H](O)C1 336259641 168356589 /nfs/dbraw/zinc/35/65/89/168356589.db2.gz BDIDHVMXOWRSPG-BDAKNGLRSA-N 0 3 191.246 0.428 20 0 ACADHN C[C@@H](N(C)C(=O)CN)C1(C)CC1 335671628 168356636 /nfs/dbraw/zinc/35/66/36/168356636.db2.gz JWXFWXBNWFJDDD-SSDOTTSWSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@@H](F)CCN1CCOC[C@H](O)C1 336259644 168356642 /nfs/dbraw/zinc/35/66/42/168356642.db2.gz BDIDHVMXOWRSPG-RKDXNWHRSA-N 0 3 191.246 0.428 20 0 ACADHN C[C@@H](N)C(=O)N(C)[C@H]1CCSC1 37175069 168357149 /nfs/dbraw/zinc/35/71/49/168357149.db2.gz FJKPJYSZKGENHM-RQJHMYQMSA-N 0 3 188.296 0.298 20 0 ACADHN C[C@@H](N)C(=O)N[C@H](C)c1cccnc1 35692199 168357163 /nfs/dbraw/zinc/35/71/63/168357163.db2.gz MILCREPZMMFMKH-HTQZYQBOSA-N 0 3 193.250 0.606 20 0 ACADHN C[C@@H](N)C(=O)NC[C@H]1CCCCO1 42823322 168357220 /nfs/dbraw/zinc/35/72/20/168357220.db2.gz PSBSBUZJVCTHAG-HTQZYQBOSA-N 0 3 186.255 0.019 20 0 ACADHN C[C@@H](N)C(=O)CC1CC1 82836177 168357258 /nfs/dbraw/zinc/35/72/58/168357258.db2.gz YKRABPYAJIYSLY-RXMQYKEDSA-N 0 3 127.187 0.703 20 0 ACADHN C[C@@H](N)C(=O)Nc1cc(F)ccc1O 306225539 168357306 /nfs/dbraw/zinc/35/73/06/168357306.db2.gz GEPZACGAWBSEOW-RXMQYKEDSA-N 0 3 198.197 0.817 20 0 ACADHN C[C@@H](N)C(=O)NCC1CCC1 37180832 168357320 /nfs/dbraw/zinc/35/73/20/168357320.db2.gz MNEABMYRXGDCAN-ZCFIWIBFSA-N 0 3 156.229 0.250 20 0 ACADHN C[C@@H](N)C(=O)N(C)Cc1cscn1 42868650 168357323 /nfs/dbraw/zinc/35/73/23/168357323.db2.gz BFTWYLFWXVXZPJ-ZCFIWIBFSA-N 0 3 199.279 0.449 20 0 ACADHN C[C@@H](N)C(=O)NCc1ccccc1F 19481729 168357393 /nfs/dbraw/zinc/35/73/93/168357393.db2.gz NOLJGQIBRHILEF-SSDOTTSWSA-N 0 3 196.225 0.789 20 0 ACADHN C[C@@H](N)C(=O)N(C)C(C)(C)C 77261170 168357421 /nfs/dbraw/zinc/35/74/21/168357421.db2.gz ZLWGOXREBNKDHA-ZCFIWIBFSA-N 0 3 158.245 0.591 20 0 ACADHN C[C@@H](N)C(=O)N(C)CC1CC1 37816357 168357460 /nfs/dbraw/zinc/35/74/60/168357460.db2.gz QPVLKHJBPWLBBV-ZCFIWIBFSA-N 0 3 156.229 0.202 20 0 ACADHN C[C@@H](N)C(=O)NC(C1CC1)C1CC1 42372479 168357494 /nfs/dbraw/zinc/35/74/94/168357494.db2.gz KBOJIVQMNRWIJN-ZCFIWIBFSA-N 0 3 182.267 0.638 20 0 ACADHN C[C@@H](N)C(=O)N(C)[C@H]1CC1(C)C 335561970 168357505 /nfs/dbraw/zinc/35/75/05/168357505.db2.gz GVGWPOYKRNCIQY-RQJHMYQMSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@@H](N)C(=O)NCc1cccc(F)c1 20473661 168357518 /nfs/dbraw/zinc/35/75/18/168357518.db2.gz CWEMWGFQSOSEFP-SSDOTTSWSA-N 0 3 196.225 0.789 20 0 ACADHN C[C@@H](N)C(=O)N[C@H]1C=CCCC1 306626912 168357568 /nfs/dbraw/zinc/35/75/68/168357568.db2.gz IUWWKUOKWNYHEF-SFYZADRCSA-N 0 3 168.240 0.559 20 0 ACADHN C[C@@H](N)C(=O)N(C)[C@H](C)C1CC1 36785795 168357574 /nfs/dbraw/zinc/35/75/74/168357574.db2.gz BJFGAYBNEADQRW-RNFRBKRXSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@@H](N)C(=O)NC[C@@H]1CCCCO1 42823314 168357576 /nfs/dbraw/zinc/35/75/76/168357576.db2.gz PSBSBUZJVCTHAG-SFYZADRCSA-N 0 3 186.255 0.019 20 0 ACADHN C[C@@H](N)C(=O)N(C)[C@@H]1CC1(C)C 335561969 168357601 /nfs/dbraw/zinc/35/76/01/168357601.db2.gz GVGWPOYKRNCIQY-RNFRBKRXSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@@H](N)C(=O)N(C)Cc1ccco1 35702132 168357737 /nfs/dbraw/zinc/35/77/37/168357737.db2.gz SMCQOWVEQKCUQF-SSDOTTSWSA-N 0 3 182.223 0.585 20 0 ACADHN C[C@@H](N)C(=O)N[C@H](C)c1ccccn1 35694963 168357921 /nfs/dbraw/zinc/35/79/21/168357921.db2.gz QQBBHWHNZNXGDW-HTQZYQBOSA-N 0 3 193.250 0.606 20 0 ACADHN C[C@@H](N)C(=O)N(C)C1CCCC1 37092828 168357955 /nfs/dbraw/zinc/35/79/55/168357955.db2.gz GAWLBGGTOBFUIF-SSDOTTSWSA-N 0 3 170.256 0.735 20 0 ACADHN C[C@@H](N)C(=O)N(C)CC1CCC1 61480053 168357959 /nfs/dbraw/zinc/35/79/59/168357959.db2.gz ZHNRBFKUWMVJBM-SSDOTTSWSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@@H](N)C(=O)N1CCC2(CCC2)C1 306559558 168358046 /nfs/dbraw/zinc/35/80/46/168358046.db2.gz QLYJLTVBRDQDRB-MRVPVSSYSA-N 0 3 182.267 0.736 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1C=CCCC1 306626911 168358076 /nfs/dbraw/zinc/35/80/76/168358076.db2.gz IUWWKUOKWNYHEF-HTQZYQBOSA-N 0 3 168.240 0.559 20 0 ACADHN C[C@@H](N)C(=O)NC1(C)CCCC1 42187983 168358192 /nfs/dbraw/zinc/35/81/92/168358192.db2.gz DIXIUPMDBSGSDS-SSDOTTSWSA-N 0 3 170.256 0.783 20 0 ACADHN C[C@@H](N)C(=O)Nc1ccccc1O 70203934 168358203 /nfs/dbraw/zinc/35/82/03/168358203.db2.gz WNCZAFDYTPWAOB-ZCFIWIBFSA-N 0 3 180.207 0.678 20 0 ACADHN C[C@@H](N)C(=O)Nc1cc(C2CC2)[nH]n1 307226582 168358336 /nfs/dbraw/zinc/35/83/36/168358336.db2.gz VQGABZXZUGKFIJ-RXMQYKEDSA-N 0 3 194.238 0.573 20 0 ACADHN C[C@@H](N)C(=O)NCc1cccs1 37467105 168358354 /nfs/dbraw/zinc/35/83/54/168358354.db2.gz OULLORWMNBICET-ZCFIWIBFSA-N 0 3 184.264 0.712 20 0 ACADHN C[C@@H](N)C(=O)NC1CCC1 52210880 168358433 /nfs/dbraw/zinc/35/84/33/168358433.db2.gz HQYFRSKJRPSVGQ-RXMQYKEDSA-N 0 3 142.202 0.002 20 0 ACADHN C[C@@H](N)C(=O)N1CCC[C@H]1C 37912010 168358446 /nfs/dbraw/zinc/35/84/46/168358446.db2.gz NGISZZZBEBYYKT-RNFRBKRXSA-N 0 3 156.229 0.345 20 0 ACADHN C[C@@H](N)C(=O)NCCc1ccncc1 42476951 168358557 /nfs/dbraw/zinc/35/85/57/168358557.db2.gz NRFLPHBHFYSCIG-MRVPVSSYSA-N 0 3 193.250 0.088 20 0 ACADHN C[C@@H](N)C(=O)NCC1CCCC1 37258772 168358563 /nfs/dbraw/zinc/35/85/63/168358563.db2.gz XIZAHUQPHNTZCQ-SSDOTTSWSA-N 0 3 170.256 0.640 20 0 ACADHN C[C@@H](N)C(=O)NCC(C)(C)C 40494331 168358646 /nfs/dbraw/zinc/35/86/46/168358646.db2.gz IDPDGASGTZDVLF-ZCFIWIBFSA-N 0 3 158.245 0.496 20 0 ACADHN C[C@@H](N)C(=O)NCCc1ccccn1 19427369 168358678 /nfs/dbraw/zinc/35/86/78/168358678.db2.gz MXLBGBLKEYAPLX-MRVPVSSYSA-N 0 3 193.250 0.088 20 0 ACADHN C[C@@H](N)C(=O)Nc1nc(C2CC2)c[nH]1 335378011 168358779 /nfs/dbraw/zinc/35/87/79/168358779.db2.gz ABFXRRLSCUORNM-RXMQYKEDSA-N 0 3 194.238 0.573 20 0 ACADHN C[C@@H](N)C(=O)NCc1ccc(F)cc1 19426852 168358950 /nfs/dbraw/zinc/35/89/50/168358950.db2.gz DIRFUKHJIMZKPZ-SSDOTTSWSA-N 0 3 196.225 0.789 20 0 ACADHN C[C@@H](N)C(=O)NCCc1cccs1 19429915 168358964 /nfs/dbraw/zinc/35/89/64/168358964.db2.gz KIHIPNAUSIPCDM-SSDOTTSWSA-N 0 3 198.291 0.754 20 0 ACADHN C[C@@H](N)C(=O)N(C)CC(C)(C)C 45087924 168359000 /nfs/dbraw/zinc/35/90/00/168359000.db2.gz SNUFURAQGPPKIY-SSDOTTSWSA-N 0 3 172.272 0.838 20 0 ACADHN C[C@@H](N)C(=O)NCc1nccs1 41013403 168359005 /nfs/dbraw/zinc/35/90/05/168359005.db2.gz SVBFOPNRHUNXQU-RXMQYKEDSA-N 0 3 185.252 0.107 20 0 ACADHN C[C@@H](N)C(=O)N1CCc2ccncc21 335373997 168359033 /nfs/dbraw/zinc/35/90/33/168359033.db2.gz FXPIWWZEYBEYLN-SSDOTTSWSA-N 0 3 191.234 0.318 20 0 ACADHN C[C@@H](N)C(=O)N1CCCSCC1 42444672 168359040 /nfs/dbraw/zinc/35/90/40/168359040.db2.gz NJGXMFHBPVCDEC-SSDOTTSWSA-N 0 3 188.296 0.299 20 0 ACADHN C[C@@H](N)C(=O)N1CCC(C)(C)CC1 61821016 168359113 /nfs/dbraw/zinc/35/91/13/168359113.db2.gz HEZNDSCZLCYLGR-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@@H](N)C(=O)Nc1ccncc1 42238451 168359199 /nfs/dbraw/zinc/35/91/99/168359199.db2.gz DODLVKSYFAWGJU-ZCFIWIBFSA-N 0 3 165.196 0.367 20 0 ACADHN C[C@@H](N)C(=O)N(C)[C@H](C)C1(C)CC1 335608302 168359293 /nfs/dbraw/zinc/35/92/93/168359293.db2.gz WRGZAFZPLKIOFT-HTQZYQBOSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@@H](N)C(=O)N(C)Cc1ccccn1 36778350 168359361 /nfs/dbraw/zinc/35/93/61/168359361.db2.gz RFXWWNKSCMBYCM-MRVPVSSYSA-N 0 3 193.250 0.387 20 0 ACADHN C[C@@H](N)C(=O)N(C)c1ccccc1 42204945 168359381 /nfs/dbraw/zinc/35/93/81/168359381.db2.gz OUOVZEZYZZDHTI-MRVPVSSYSA-N 0 3 178.235 0.997 20 0 ACADHN C[C@@H](N)C(=O)N(C)[C@@H]1CCSC1 37175067 168359408 /nfs/dbraw/zinc/35/94/08/168359408.db2.gz FJKPJYSZKGENHM-RNFRBKRXSA-N 0 3 188.296 0.298 20 0 ACADHN C[C@@H](N)C(=O)N(C)Cc1cccnc1 36771593 168359451 /nfs/dbraw/zinc/35/94/51/168359451.db2.gz OPKKDFVVUPOQHU-MRVPVSSYSA-N 0 3 193.250 0.387 20 0 ACADHN C[C@@H](N)c1ccncc1N 104660183 168371755 /nfs/dbraw/zinc/37/17/55/168371755.db2.gz HSFJLXYYXSBTBR-RXMQYKEDSA-N 0 3 137.186 0.684 20 0 ACADHN C[C@@H](N)c1cccnc1N 59979034 168372623 /nfs/dbraw/zinc/37/26/23/168372623.db2.gz SDHWYVBKPIROJL-RXMQYKEDSA-N 0 3 137.186 0.684 20 0 ACADHN C[C@@H](NC(=O)CN)c1ccsc1 61366222 168376537 /nfs/dbraw/zinc/37/65/37/168376537.db2.gz FTRHASYEPXSHID-ZCFIWIBFSA-N 0 3 184.264 0.884 20 0 ACADHN C[C@@H](NC(=O)CN)c1cccs1 35138327 168376547 /nfs/dbraw/zinc/37/65/47/168376547.db2.gz OHMAUJGISJHHQN-ZCFIWIBFSA-N 0 3 184.264 0.884 20 0 ACADHN C[C@@H](NC(CO)CO)c1cccnc1 83690595 168377237 /nfs/dbraw/zinc/37/72/37/168377237.db2.gz OSZIFZLOGHHJAS-MRVPVSSYSA-N 0 3 196.250 0.085 20 0 ACADHN C[C@@H](NC(CO)CO)c1ccccc1 34618957 168377694 /nfs/dbraw/zinc/37/76/94/168377694.db2.gz PXLITJJQAAZITG-SECBINFHSA-N 0 3 195.262 0.690 20 0 ACADHN C[C@@H](NC(CO)CO)c1ccncc1 83689751 168377951 /nfs/dbraw/zinc/37/79/51/168377951.db2.gz FHZXPIXRYSYYIO-MRVPVSSYSA-N 0 3 196.250 0.085 20 0 ACADHN C[C@@H](NC1CC1)C(=O)NC1CC1 20308658 168378225 /nfs/dbraw/zinc/37/82/25/168378225.db2.gz HUBUFMBPLOKWQH-ZCFIWIBFSA-N 0 3 168.240 0.406 20 0 ACADHN C[C@@H](NC1CC1)C(=O)N(C)C 20308669 168379088 /nfs/dbraw/zinc/37/90/88/168379088.db2.gz QFZKGQDLWHCZQP-ZCFIWIBFSA-N 0 3 156.229 0.215 20 0 ACADHN C[C@@H](NCCC(N)=O)c1ccccn1 35127022 168380250 /nfs/dbraw/zinc/38/02/50/168380250.db2.gz DLFBMFWHFPUDRD-MRVPVSSYSA-N 0 3 193.250 0.608 20 0 ACADHN C[C@@H](NCCN(C)C)c1cnn(C)c1 44494186 168381099 /nfs/dbraw/zinc/38/10/99/168381099.db2.gz DWQJSIZUYPGRLB-SECBINFHSA-N 0 3 196.298 0.632 20 0 ACADHN C[C@@H](NCCO)c1ccco1 20597059 168381676 /nfs/dbraw/zinc/38/16/76/168381676.db2.gz XYJWJTXNLVAGEQ-SSDOTTSWSA-N 0 3 155.197 0.923 20 0 ACADHN C[C@@H](NCCO)c1cnn(C)c1 44495727 168381859 /nfs/dbraw/zinc/38/18/59/168381859.db2.gz LVPRSGTXFPTWLM-SSDOTTSWSA-N 0 3 169.228 0.063 20 0 ACADHN C[C@@H](NCCC(N)=O)c1cccnc1 35692090 168381887 /nfs/dbraw/zinc/38/18/87/168381887.db2.gz TVZNODIDHUTQSH-MRVPVSSYSA-N 0 3 193.250 0.608 20 0 ACADHN C[C@@H](NCC1CC1)c1nncn1C 37017538 168381991 /nfs/dbraw/zinc/38/19/91/168381991.db2.gz FDVHUZTVADQCRK-SSDOTTSWSA-N 0 3 180.255 0.876 20 0 ACADHN C[C@@H](NCc1ccccc1)C(N)=O 20307512 168382728 /nfs/dbraw/zinc/38/27/28/168382728.db2.gz YAIQLSGJDFUANQ-MRVPVSSYSA-N 0 3 178.235 0.650 20 0 ACADHN C[C@@H](NC[C@H](O)CO)c1cccnc1 37888893 168382795 /nfs/dbraw/zinc/38/27/95/168382795.db2.gz DQJICVBSKOXYRM-SCZZXKLOSA-N 0 3 196.250 0.085 20 0 ACADHN C[C@@H](NC[C@H](O)CO)c1ccccc1 2639121 168383501 /nfs/dbraw/zinc/38/35/01/168383501.db2.gz IJWGQNDOODPAMW-KOLCDFICSA-N 0 3 195.262 0.690 20 0 ACADHN C[C@@H](NCc1nncn1C)C1CC1 38007535 168384484 /nfs/dbraw/zinc/38/44/84/168384484.db2.gz UGRHFPHQSVQSFG-SSDOTTSWSA-N 0 3 180.255 0.703 20 0 ACADHN C[C@@H](O)CCNCc1ccncc1 78780475 168388537 /nfs/dbraw/zinc/38/85/37/168388537.db2.gz ZULWTZDFEFWMGL-SECBINFHSA-N 0 3 180.251 0.942 20 0 ACADHN C[C@@H](O)CCCN1CCN(C)CC1 45619039 168388770 /nfs/dbraw/zinc/38/87/70/168388770.db2.gz KUZWWLAFIUYIGB-SNVBAGLBSA-N 0 3 186.299 0.395 20 0 ACADHN C[C@@H](O)CCNCc1ccnn1C 82992630 168388805 /nfs/dbraw/zinc/38/88/05/168388805.db2.gz CTMUMYZCHDNWAF-MRVPVSSYSA-N 0 3 183.255 0.281 20 0 ACADHN C[C@@H](O)CCN[C@H](C)c1cnn(C)c1 82992705 168389213 /nfs/dbraw/zinc/38/92/13/168389213.db2.gz HIEQMKXHWIAEBT-RKDXNWHRSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@@H](O)CCNCc1cccnc1 78780988 168389302 /nfs/dbraw/zinc/38/93/02/168389302.db2.gz MKMLQOWMKRBADH-SECBINFHSA-N 0 3 180.251 0.942 20 0 ACADHN C[C@@H](O)CCNCc1ccccn1 78782073 168389334 /nfs/dbraw/zinc/38/93/34/168389334.db2.gz NUVQDGRYGZYHTP-SECBINFHSA-N 0 3 180.251 0.942 20 0 ACADHN C[C@@H](O)CCN1CCOCC1(C)C 44178305 168389399 /nfs/dbraw/zinc/38/93/99/168389399.db2.gz ZKRFUNUSKPVCPU-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@@H](O)CCN1CCN(C)CC1 44116674 168389582 /nfs/dbraw/zinc/38/95/82/168389582.db2.gz FKLYEZLSPJDHKV-SECBINFHSA-N 0 3 172.272 0.005 20 0 ACADHN C[C@@H](O)CCN1CCCOCC1 61932826 168390173 /nfs/dbraw/zinc/39/01/73/168390173.db2.gz YEOAKZXIIAREJG-SECBINFHSA-N 0 3 173.256 0.480 20 0 ACADHN C[C@@H](O)CCN1CCOC(C)(C)C1 44159979 168390210 /nfs/dbraw/zinc/39/02/10/168390210.db2.gz XLWHQCSCIDUDFZ-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@@H](O)CN(C)CCn1cccn1 51821939 168390490 /nfs/dbraw/zinc/39/04/90/168390490.db2.gz MMFOEAQGQHTEES-SECBINFHSA-N 0 3 183.255 0.196 20 0 ACADHN C[C@@H](O)CN(C)CCn1ccnc1 51837894 168390665 /nfs/dbraw/zinc/39/06/65/168390665.db2.gz VIKHFBKPIAPFIK-SECBINFHSA-N 0 3 183.255 0.196 20 0 ACADHN C[C@@H](O)CN(C)c1ccnc(CO)c1 51839548 168390802 /nfs/dbraw/zinc/39/08/02/168390802.db2.gz UQHUTKXFJJEYDG-MRVPVSSYSA-N 0 3 196.250 0.391 20 0 ACADHN C[C@@H](O)CN1CCCOCC1 61920682 168391001 /nfs/dbraw/zinc/39/10/01/168391001.db2.gz JRQRPBDPDVAOJZ-MRVPVSSYSA-N 0 3 159.229 0.090 20 0 ACADHN C[C@@H](O)CN(C)[C@@H]1CCOC1 69624763 168391481 /nfs/dbraw/zinc/39/14/81/168391481.db2.gz ZDCQETWFVVCJBL-HTQZYQBOSA-N 0 3 159.229 0.088 20 0 ACADHN C[C@@H](O)CN(C)Cc1ccnc(N)c1 52731847 168391943 /nfs/dbraw/zinc/39/19/43/168391943.db2.gz SWBONVWEACPKOV-MRVPVSSYSA-N 0 3 195.266 0.476 20 0 ACADHN C[C@@H](O)CN(C)Cc1ccc(N)nc1 51840110 168392009 /nfs/dbraw/zinc/39/20/09/168392009.db2.gz CMXPRWWSSBRKPY-MRVPVSSYSA-N 0 3 195.266 0.476 20 0 ACADHN C[C@@H](O)CN(C)Cc1ccncc1 37694030 168392221 /nfs/dbraw/zinc/39/22/21/168392221.db2.gz SWIWLMGYLAAEIX-SECBINFHSA-N 0 3 180.251 0.894 20 0 ACADHN C[C@@H](O)CN(C)Cc1cccnc1 37694025 168392331 /nfs/dbraw/zinc/39/23/31/168392331.db2.gz QKAZCILEOGLFBH-SECBINFHSA-N 0 3 180.251 0.894 20 0 ACADHN C[C@@H](O)CN(C)C[C@@H]1CCCCO1 42465195 168392611 /nfs/dbraw/zinc/39/26/11/168392611.db2.gz CPTUOWFTOHXNMP-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@@H](O)CN1CCOCC2(CCC2)C1 336330045 168392987 /nfs/dbraw/zinc/39/29/87/168392987.db2.gz CVAWNDGQOHPXIP-SNVBAGLBSA-N 0 3 199.294 0.870 20 0 ACADHN C[C@@H](O)CN1CC[C@H](F)C1 336262865 168393147 /nfs/dbraw/zinc/39/31/47/168393147.db2.gz GYRVSGCIXQJPMP-RQJHMYQMSA-N 0 3 147.193 0.411 20 0 ACADHN C[C@@H](O)CN1CCOC[C@@H]1C1CCC1 335432142 168393210 /nfs/dbraw/zinc/39/32/10/168393210.db2.gz BGFOVLZVKBXQLJ-MWLCHTKSSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@@H](O)CN1CCN(C2CCC2)CC1 306171830 168393403 /nfs/dbraw/zinc/39/34/03/168393403.db2.gz TZISBGYSFYFXHP-SNVBAGLBSA-N 0 3 198.310 0.537 20 0 ACADHN C[C@@H](O)CN1CC[C@@H](n2cccn2)C1 336632087 168393447 /nfs/dbraw/zinc/39/34/47/168393447.db2.gz BHBPBPBYWZLJNJ-NXEZZACHSA-N 0 3 195.266 0.511 20 0 ACADHN C[C@@H](O)CN1CCS[C@H](C)C1 123640486 168393923 /nfs/dbraw/zinc/39/39/23/168393923.db2.gz LBTCYNGBCVVIIG-HTQZYQBOSA-N 0 3 175.297 0.805 20 0 ACADHN C[C@@H](O)CN1CC[C@H](n2cccn2)C1 336632090 168393994 /nfs/dbraw/zinc/39/39/94/168393994.db2.gz BHBPBPBYWZLJNJ-ZJUUUORDSA-N 0 3 195.266 0.511 20 0 ACADHN C[C@@H](O)CN1CCOC[C@@H]1C1CC1 306481044 168394112 /nfs/dbraw/zinc/39/41/12/168394112.db2.gz CSBFJIPYSPFMKM-PSASIEDQSA-N 0 3 185.267 0.478 20 0 ACADHN C[C@@H](O)CN1C[C@@H](C)OC(C)(C)C1 45703411 168394130 /nfs/dbraw/zinc/39/41/30/168394130.db2.gz UXUGVXKHFGMMBL-RKDXNWHRSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@@H](O)CN1CCN(C)CC1(C)C 306288334 168394174 /nfs/dbraw/zinc/39/41/74/168394174.db2.gz MLOXMRCUBIFKNL-SECBINFHSA-N 0 3 186.299 0.393 20 0 ACADHN C[C@@H](O)CN1CCOC(C)(C)[C@H]1C 335530942 168394371 /nfs/dbraw/zinc/39/43/71/168394371.db2.gz VNOPGUWXBFQIER-RKDXNWHRSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@@H](O)CN1CCOC[C@H]1C1CC1 306481046 168394395 /nfs/dbraw/zinc/39/43/95/168394395.db2.gz CSBFJIPYSPFMKM-SCZZXKLOSA-N 0 3 185.267 0.478 20 0 ACADHN C[C@@H](O)CN1CC[C@](C)(F)C1 307256319 168394516 /nfs/dbraw/zinc/39/45/16/168394516.db2.gz DTDLHMWHLRCGAQ-SFYZADRCSA-N 0 3 161.220 0.801 20 0 ACADHN C[C@@H](O)CN1CCOC[C@H]1C1CCC1 335432141 168394629 /nfs/dbraw/zinc/39/46/29/168394629.db2.gz BGFOVLZVKBXQLJ-KOLCDFICSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@@H](O)CN1CC[C@@](C)(F)C1 307256313 168394648 /nfs/dbraw/zinc/39/46/48/168394648.db2.gz DTDLHMWHLRCGAQ-HTQZYQBOSA-N 0 3 161.220 0.801 20 0 ACADHN C[C@@H](O)CN1CCOCC1(C)C 42462730 168394704 /nfs/dbraw/zinc/39/47/04/168394704.db2.gz XKOYVVBRPVBCJH-MRVPVSSYSA-N 0 3 173.256 0.478 20 0 ACADHN C[C@@H](O)CNCc1cccc(O)c1 32007524 168395453 /nfs/dbraw/zinc/39/54/53/168395453.db2.gz QLQQLFJAPVPMPT-MRVPVSSYSA-N 0 3 181.235 0.863 20 0 ACADHN C[C@@H](O)CNCc1ccc(CO)cc1 40544159 168395608 /nfs/dbraw/zinc/39/56/08/168395608.db2.gz ZDNQNWKKHXHBLJ-SECBINFHSA-N 0 3 195.262 0.649 20 0 ACADHN C[C@@H](O)CNCc1ccn(C)c1 82529132 168396487 /nfs/dbraw/zinc/39/64/87/168396487.db2.gz CMCNXTHYEBIIHW-MRVPVSSYSA-N 0 3 168.240 0.496 20 0 ACADHN C[C@@H](O)[C@@H](CO)NCc1ccccc1 1594638 168396845 /nfs/dbraw/zinc/39/68/45/168396845.db2.gz UKHROZCMFXXASX-MWLCHTKSSA-N 0 3 195.262 0.518 20 0 ACADHN C[C@@H]1CCCC[C@H]1CNC(=O)CN 42868027 168417823 /nfs/dbraw/zinc/41/78/23/168417823.db2.gz BEVUYNBWTZUYPW-BDAKNGLRSA-N 0 3 184.283 0.888 20 0 ACADHN C[C@@H]1CCC[C@@H](NC(=O)CN)[C@@H]1C 19515989 168423944 /nfs/dbraw/zinc/42/39/44/168423944.db2.gz HKBUQYWKLAOILE-IWSPIJDZSA-N 0 3 184.283 0.886 20 0 ACADHN C[C@@H]1CC[C@@H](NC2(C(N)=O)CC2)C1 306970016 168438876 /nfs/dbraw/zinc/43/88/76/168438876.db2.gz SYBULXJRQCSAIN-HTQZYQBOSA-N 0 3 182.267 0.783 20 0 ACADHN C[C@@H]1CN(C(=O)CN)C(C)(C)C1 306962575 168445309 /nfs/dbraw/zinc/44/53/09/168445309.db2.gz BYLMLVBILIITMM-ZETCQYMHSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@@H]1C[C@@H](C)CN([C@H](C)C(N)=O)C1 217845133 168463594 /nfs/dbraw/zinc/46/35/94/168463594.db2.gz NEMZPKYPNPZWHB-IWSPIJDZSA-N 0 3 184.283 0.838 20 0 ACADHN C[C@@H]1C[C@@H]1CN1CCOCC1 306975646 168467776 /nfs/dbraw/zinc/46/77/76/168467776.db2.gz ZWBLGPFCRJOSFO-RKDXNWHRSA-N 0 3 155.241 0.975 20 0 ACADHN C[C@H](CO)NCc1ccn(C)c1 82529134 168536444 /nfs/dbraw/zinc/53/64/44/168536444.db2.gz FZVYKQZLXKTSDP-MRVPVSSYSA-N 0 3 168.240 0.496 20 0 ACADHN C[C@H](N)C(=O)Nc1ccncc1 40456472 168545157 /nfs/dbraw/zinc/54/51/57/168545157.db2.gz DODLVKSYFAWGJU-LURJTMIESA-N 0 3 165.196 0.367 20 0 ACADHN C[C@H](NCCO)c1cnn(C)c1 44495726 168566089 /nfs/dbraw/zinc/56/60/89/168566089.db2.gz LVPRSGTXFPTWLM-ZETCQYMHSA-N 0 3 169.228 0.063 20 0 ACADHN C[C@H](O)CCNCc1ccnn1C 82992628 168576626 /nfs/dbraw/zinc/57/66/26/168576626.db2.gz CTMUMYZCHDNWAF-QMMMGPOBSA-N 0 3 183.255 0.281 20 0 ACADHN C[C@H](O)CN1CC(C)(C)OC[C@@H]1C 306287858 168577142 /nfs/dbraw/zinc/57/71/42/168577142.db2.gz LUAWNBTXUKKSJM-IUCAKERBSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@H]1CCC[C@@H](C)CN1C(=O)CN 306518002 168608097 /nfs/dbraw/zinc/60/80/97/168608097.db2.gz BGNINVQUCBCMEE-BDAKNGLRSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H]1CCC[C@@H](NC(=O)CN)C1 37256251 168610170 /nfs/dbraw/zinc/61/01/70/168610170.db2.gz HXTPXLMQCSGMPC-JGVFFNPUSA-N 0 3 170.256 0.640 20 0 ACADHN C[C@H]1C[C@@H](C)CCN(C(=O)CN)C1 335008439 168647355 /nfs/dbraw/zinc/64/73/55/168647355.db2.gz HPYZTOPTBJNXIR-IUCAKERBSA-N 0 3 184.283 0.840 20 0 ACADHN C[C@H]1C[C@@H](NC(=O)C(C)(C)N)CO1 335438308 168651977 /nfs/dbraw/zinc/65/19/77/168651977.db2.gz LHFSBQFPFCDYBI-NKWVEPMBSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H]1C[C@H](C)CN(C(=O)[C@@H](C)N)C1 19480401 168658870 /nfs/dbraw/zinc/65/88/70/168658870.db2.gz QRGWYJMYGBGYFA-XHNCKOQMSA-N 0 3 184.283 0.838 20 0 ACADHN Cc1c(CNCC[C@H](C)O)cnn1C 86552143 168709951 /nfs/dbraw/zinc/70/99/51/168709951.db2.gz PBEUMCICTLSRAB-QMMMGPOBSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1cc(NC(=O)[C@H](C)N)ccn1 11805449 168768828 /nfs/dbraw/zinc/76/88/28/168768828.db2.gz SZXZIXXIJFUDLP-ZETCQYMHSA-N 0 3 179.223 0.676 20 0 ACADHN Cc1ccc(CNC[C@@H](C)O)cn1 62053022 168813703 /nfs/dbraw/zinc/81/37/03/168813703.db2.gz UZKITYLFCZHPGD-SECBINFHSA-N 0 3 180.251 0.860 20 0 ACADHN Cc1ccc([O-])c(C(=O)NCC[NH3+])c1 19271347 168827168 /nfs/dbraw/zinc/82/71/68/168827168.db2.gz MTJITORYPACHCX-UHFFFAOYSA-N 0 3 194.234 0.389 20 0 ACADHN Cc1ccc([C@@H](N)CC(N)=O)cc1 20578043 168834589 /nfs/dbraw/zinc/83/45/89/168834589.db2.gz UIOAJTFHXCRDGM-VIFPVBQESA-N 0 3 178.235 0.870 20 0 ACADHN Cc1cccc(CNC(CO)CO)c1 83689722 168865846 /nfs/dbraw/zinc/86/58/46/168865846.db2.gz ZMWDTZXOBRFPCV-UHFFFAOYSA-N 0 3 195.262 0.438 20 0 ACADHN Cc1ccnc(NC(=O)[C@@H]2C[C@@H]2N)c1 50457868 168890207 /nfs/dbraw/zinc/89/02/07/168890207.db2.gz RYHHHHZXYQULOM-SFYZADRCSA-N 0 3 191.234 0.676 20 0 ACADHN Cc1cnc(F)c(CN)c1 71624136 168904162 /nfs/dbraw/zinc/90/41/62/168904162.db2.gz HKBSDSUWUDOJAI-UHFFFAOYSA-N 0 3 140.161 0.988 20 0 ACADHN Cc1csc([C@@H](O)CN)n1 20438716 168922024 /nfs/dbraw/zinc/92/20/24/168922024.db2.gz FEWMXCQUFLMQBW-YFKPBYRVSA-N 0 3 158.226 0.444 20 0 ACADHN Cc1nc(CN)ccc1F 95763808 168939869 /nfs/dbraw/zinc/93/98/69/168939869.db2.gz VKRQKYITAWFTQU-UHFFFAOYSA-N 0 3 140.161 0.988 20 0 ACADHN Cc1nc(CN)cn1C 20439103 168939930 /nfs/dbraw/zinc/93/99/30/168939930.db2.gz KROCNIBLMCVXTN-UHFFFAOYSA-N 0 3 125.175 0.187 20 0 ACADHN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N 40419400 168981388 /nfs/dbraw/zinc/98/13/88/168981388.db2.gz RMJCXOWWLHSVLY-RXMQYKEDSA-N 0 3 196.254 0.323 20 0 ACADHN Cc1noc(C[C@@H]2CSCCN2)n1 82912094 169000157 /nfs/dbraw/zinc/00/01/57/169000157.db2.gz CFSDZSAITNUPNX-SSDOTTSWSA-N 0 3 199.279 0.626 20 0 ACADHN Cc1noc(C[C@H]2CSCCN2)n1 82912095 169000516 /nfs/dbraw/zinc/00/05/16/169000516.db2.gz CFSDZSAITNUPNX-ZETCQYMHSA-N 0 3 199.279 0.626 20 0 ACADHN Cc1noc([C@]2(F)CCNC2)n1 306510715 169002654 /nfs/dbraw/zinc/00/26/54/169002654.db2.gz DGUJAMZCKZOISY-ZETCQYMHSA-N 0 3 171.175 0.536 20 0 ACADHN Cc1noc([C@@]2(F)CCNC2)n1 306510714 169003725 /nfs/dbraw/zinc/00/37/25/169003725.db2.gz DGUJAMZCKZOISY-SSDOTTSWSA-N 0 3 171.175 0.536 20 0 ACADHN Cc1occc1CN(C)CCC(N)=O 42294889 169011403 /nfs/dbraw/zinc/01/14/03/169011403.db2.gz OXGXSBYXUAXCKI-UHFFFAOYSA-N 0 3 196.250 0.895 20 0 ACADHN Cc1oncc1CN1CCC[C@H]1CO 336200139 169013063 /nfs/dbraw/zinc/01/30/63/169013063.db2.gz WXUVPPWZJWIISO-JTQLQIEISA-N 0 3 196.250 0.940 20 0 ACADHN Cc1oncc1CN1CCC[C@@H]1CO 336200140 169013756 /nfs/dbraw/zinc/01/37/56/169013756.db2.gz WXUVPPWZJWIISO-SNVBAGLBSA-N 0 3 196.250 0.940 20 0 ACADHN Clc1ccc(OC2CNC2)nn1 62810187 169023566 /nfs/dbraw/zinc/02/35/66/169023566.db2.gz NUJDIMVZXXFGSH-UHFFFAOYSA-N 0 3 185.614 0.481 20 0 ACADHN CNC(=S)N[C@@H]1CCN(C2CC2)C1 136263184 343978559 /nfs/dbraw/zinc/97/85/59/343978559.db2.gz JZBONUUYUASIHX-SSDOTTSWSA-N 0 3 199.323 0.317 20 0 ACADHN Cn1cc(CNC(C)(C)CO)cn1 20196843 169038108 /nfs/dbraw/zinc/03/81/08/169038108.db2.gz NBINEDVTLHVMFD-UHFFFAOYSA-N 0 3 183.255 0.281 20 0 ACADHN Cn1cc(CN2CCC[C@@H]2CO)cn1 50113653 169038198 /nfs/dbraw/zinc/03/81/98/169038198.db2.gz LZPPRMQDPIFDEU-SNVBAGLBSA-N 0 3 195.266 0.377 20 0 ACADHN Cn1cc(CNCC2CCC2)nn1 54859141 169038233 /nfs/dbraw/zinc/03/82/33/169038233.db2.gz LKONIJXWXIKUTL-UHFFFAOYSA-N 0 3 180.255 0.705 20 0 ACADHN Cn1cc(CCN2CC[C@H](O)C2)cn1 226152940 169038268 /nfs/dbraw/zinc/03/82/68/169038268.db2.gz QEPIORZTQNWONN-JTQLQIEISA-N 0 3 195.266 0.029 20 0 ACADHN Cn1cc(CN2CCC[C@H]2CO)cn1 50113656 169038325 /nfs/dbraw/zinc/03/83/25/169038325.db2.gz LZPPRMQDPIFDEU-JTQLQIEISA-N 0 3 195.266 0.377 20 0 ACADHN Cn1cc(CCN2CC[C@@H](O)C2)cn1 226153099 169038566 /nfs/dbraw/zinc/03/85/66/169038566.db2.gz QEPIORZTQNWONN-SNVBAGLBSA-N 0 3 195.266 0.029 20 0 ACADHN Cn1cc(CNC2CCOCC2)cn1 36308389 169039061 /nfs/dbraw/zinc/03/90/61/169039061.db2.gz RSZULFUBJDZBLX-UHFFFAOYSA-N 0 3 195.266 0.689 20 0 ACADHN Cn1cc(CN[C@H]2CCC[C@@H]2O)cn1 41054905 169040296 /nfs/dbraw/zinc/04/02/96/169040296.db2.gz MLWLXBACHYMEFK-UWVGGRQHSA-N 0 3 195.266 0.423 20 0 ACADHN Cn1cc(NC(=O)C(C)(C)N)cn1 40920729 169040521 /nfs/dbraw/zinc/04/05/21/169040521.db2.gz QRJFQHYKNOGKAH-UHFFFAOYSA-N 0 3 182.227 0.096 20 0 ACADHN Cn1cc(CN[C@@H]2CCC[C@H]2O)cn1 41054907 169040704 /nfs/dbraw/zinc/04/07/04/169040704.db2.gz MLWLXBACHYMEFK-NXEZZACHSA-N 0 3 195.266 0.423 20 0 ACADHN Cn1cc(NC(=O)CNC2CC2)cn1 37476973 169041829 /nfs/dbraw/zinc/04/18/29/169041829.db2.gz VCIZEZUJJKDQNS-UHFFFAOYSA-N 0 3 194.238 0.111 20 0 ACADHN Cn1cc2c(n1)CCC[C@H]2NCCO 306526049 169042978 /nfs/dbraw/zinc/04/29/78/169042978.db2.gz SKVMEYRJQYHSFX-SECBINFHSA-N 0 3 195.266 0.379 20 0 ACADHN Cn1cc2c(n1)CCC[C@@H]2NCCO 306526050 169043528 /nfs/dbraw/zinc/04/35/28/169043528.db2.gz SKVMEYRJQYHSFX-VIFPVBQESA-N 0 3 195.266 0.379 20 0 ACADHN Cn1ccc(CN2CCC(O)CC2)c1 128060086 169044287 /nfs/dbraw/zinc/04/42/87/169044287.db2.gz ZRZZBGCWCQGIAM-UHFFFAOYSA-N 0 3 194.278 0.982 20 0 ACADHN Cn1ccc(CN2CC[C@H](CO)C2)c1 128358592 169044420 /nfs/dbraw/zinc/04/44/20/169044420.db2.gz JIGKRKDGTNQIRT-NSHDSACASA-N 0 3 194.278 0.839 20 0 ACADHN Cn1ccc(CN2CCC[C@H](O)C2)c1 127983863 169044467 /nfs/dbraw/zinc/04/44/67/169044467.db2.gz LOGAIADDKFHMDV-NSHDSACASA-N 0 3 194.278 0.982 20 0 ACADHN Cn1ccc(CN[C@H]2C[C@@H](O)C2)c1 334623102 169044578 /nfs/dbraw/zinc/04/45/78/169044578.db2.gz YQOHKAWPHOMEPH-AOOOYVTPSA-N 0 3 180.251 0.638 20 0 ACADHN Cn1ccc(CNCCO)c1 82522494 169044819 /nfs/dbraw/zinc/04/48/19/169044819.db2.gz PTAFKNVSFFDHPS-UHFFFAOYSA-N 0 3 154.213 0.107 20 0 ACADHN Cn1ccc(CN2CC[C@@H](CO)C2)c1 128358766 169044851 /nfs/dbraw/zinc/04/48/51/169044851.db2.gz JIGKRKDGTNQIRT-LLVKDONJSA-N 0 3 194.278 0.839 20 0 ACADHN Cn1ccc(CN2CC[C@@](C)(O)C2)c1 334336896 169045321 /nfs/dbraw/zinc/04/53/21/169045321.db2.gz UGHHLGPQUWNYIF-LLVKDONJSA-N 0 3 194.278 0.982 20 0 ACADHN Cn1ccc(CN2CC[C@H](O)C2)c1 128157789 169045480 /nfs/dbraw/zinc/04/54/80/169045480.db2.gz MRSSAINNPFMECX-JTQLQIEISA-N 0 3 180.251 0.592 20 0 ACADHN Cn1ccc(CN2CC[C@](C)(O)C2)c1 334336897 169045555 /nfs/dbraw/zinc/04/55/55/169045555.db2.gz UGHHLGPQUWNYIF-NSHDSACASA-N 0 3 194.278 0.982 20 0 ACADHN Cn1ccc(CN2CC[C@@H](O)C2)c1 128081757 169045681 /nfs/dbraw/zinc/04/56/81/169045681.db2.gz MRSSAINNPFMECX-SNVBAGLBSA-N 0 3 180.251 0.592 20 0 ACADHN Cn1ccc(CN2CCC[C@@H](O)C2)c1 127984103 169045756 /nfs/dbraw/zinc/04/57/56/169045756.db2.gz LOGAIADDKFHMDV-LLVKDONJSA-N 0 3 194.278 0.982 20 0 ACADHN Cn1ccc(CN[C@@H]2CCOC2)c1 76604117 169045760 /nfs/dbraw/zinc/04/57/60/169045760.db2.gz JTNJTXIXIYZSMV-SNVBAGLBSA-N 0 3 180.251 0.904 20 0 ACADHN Cn1ccc(NC(=O)CNC2CC2)n1 37477064 169046331 /nfs/dbraw/zinc/04/63/31/169046331.db2.gz RPVAIMREQPTJQL-UHFFFAOYSA-N 0 3 194.238 0.111 20 0 ACADHN Cn1ccc(CN[C@H]2CCOC2)c1 76604123 169047241 /nfs/dbraw/zinc/04/72/41/169047241.db2.gz JTNJTXIXIYZSMV-JTQLQIEISA-N 0 3 180.251 0.904 20 0 ACADHN Cn1ccc(NC(=O)C(C)(C)N)n1 40922618 169047281 /nfs/dbraw/zinc/04/72/81/169047281.db2.gz NCNPGRRNBYZQLP-UHFFFAOYSA-N 0 3 182.227 0.096 20 0 ACADHN Cn1cccc1CN[C@H]1C[C@@H](O)C1 334621460 169048994 /nfs/dbraw/zinc/04/89/94/169048994.db2.gz RFQWDMRTROUSAH-WAAGHKOSSA-N 0 3 180.251 0.638 20 0 ACADHN Cn1cccc1CN1CC[C@@H](CO)C1 128362724 169049172 /nfs/dbraw/zinc/04/91/72/169049172.db2.gz CBGZTYUHCDIZEI-SNVBAGLBSA-N 0 3 194.278 0.839 20 0 ACADHN Cn1cccc1CNCCOCCO 20360258 169049299 /nfs/dbraw/zinc/04/92/99/169049299.db2.gz KUVDXHSWMQLXIW-UHFFFAOYSA-N 0 3 198.266 0.124 20 0 ACADHN Cn1cccc1CN1CCC[C@H](O)C1 336156176 169049525 /nfs/dbraw/zinc/04/95/25/169049525.db2.gz CMBVOBIVKVUMGI-NSHDSACASA-N 0 3 194.278 0.982 20 0 ACADHN Cn1cccc1CN1CC[C@@H](O)C1 128096026 169049764 /nfs/dbraw/zinc/04/97/64/169049764.db2.gz DGGORZJFQYCTNQ-SNVBAGLBSA-N 0 3 180.251 0.592 20 0 ACADHN Cn1cccc1CN1CC[C@](C)(O)C1 335854084 169049815 /nfs/dbraw/zinc/04/98/15/169049815.db2.gz ZJTLCWSEQZUGAB-NSHDSACASA-N 0 3 194.278 0.982 20 0 ACADHN Cn1cccc1CN1CC[C@H](CO)C1 128362509 169049836 /nfs/dbraw/zinc/04/98/36/169049836.db2.gz CBGZTYUHCDIZEI-JTQLQIEISA-N 0 3 194.278 0.839 20 0 ACADHN Cn1cccc1CNCCCO 20359101 169050022 /nfs/dbraw/zinc/05/00/22/169050022.db2.gz RRZBIJGUVSZYCT-UHFFFAOYSA-N 0 3 168.240 0.497 20 0 ACADHN Cn1ccn2nc(CN)cc12 39134172 169050055 /nfs/dbraw/zinc/05/00/55/169050055.db2.gz VAWZMGOKGJRZMQ-UHFFFAOYSA-N 0 3 150.185 0.132 20 0 ACADHN Cn1cccc1CN1CC[C@H](O)C1 128172341 169050152 /nfs/dbraw/zinc/05/01/52/169050152.db2.gz DGGORZJFQYCTNQ-JTQLQIEISA-N 0 3 180.251 0.592 20 0 ACADHN Cn1cccc1CN1CCC[C@@H](O)C1 336373452 169050336 /nfs/dbraw/zinc/05/03/36/169050336.db2.gz CMBVOBIVKVUMGI-LLVKDONJSA-N 0 3 194.278 0.982 20 0 ACADHN Cn1cccc1CN1CC[C@@](C)(O)C1 335854082 169050429 /nfs/dbraw/zinc/05/04/29/169050429.db2.gz ZJTLCWSEQZUGAB-LLVKDONJSA-N 0 3 194.278 0.982 20 0 ACADHN Cn1ccnc1Cn1ccnc1CN 51004213 169051021 /nfs/dbraw/zinc/05/10/21/169051021.db2.gz QZRQMRYHYNPRMX-UHFFFAOYSA-N 0 3 191.238 0.124 20 0 ACADHN CCN(C)CCNC(=O)N(C)C 136281792 343978986 /nfs/dbraw/zinc/97/89/86/343978986.db2.gz QULNBMQPURMYIZ-UHFFFAOYSA-N 0 3 173.260 0.209 20 0 ACADHN Cn1cnnc1CNC1CCCC1 37989138 169059954 /nfs/dbraw/zinc/05/99/54/169059954.db2.gz SEFLZDWHNWYOSG-UHFFFAOYSA-N 0 3 180.255 0.847 20 0 ACADHN Cn1cnnc1CNCC(C)(C)C 41051444 169060384 /nfs/dbraw/zinc/06/03/84/169060384.db2.gz IDTOZTFPOQCRAC-UHFFFAOYSA-N 0 3 182.271 0.951 20 0 ACADHN Cn1ncc2c1CCC[C@H]2NCCO 37051931 169065377 /nfs/dbraw/zinc/06/53/77/169065377.db2.gz VWBQBGXKIIYZOX-SECBINFHSA-N 0 3 195.266 0.379 20 0 ACADHN Cn1ncc2c1CCC[C@@H]2NCCO 37051932 169066121 /nfs/dbraw/zinc/06/61/21/169066121.db2.gz VWBQBGXKIIYZOX-VIFPVBQESA-N 0 3 195.266 0.379 20 0 ACADHN Cn1nncc1CN[C@@H]1CC[C@@H](F)C1 307395976 169069096 /nfs/dbraw/zinc/06/90/96/169069096.db2.gz AOWQZNXRRNKMPD-HTQZYQBOSA-N 0 3 198.245 0.795 20 0 ACADHN Cn1nncc1CN[C@@H]1CC[C@H](F)C1 307395978 169069329 /nfs/dbraw/zinc/06/93/29/169069329.db2.gz AOWQZNXRRNKMPD-JGVFFNPUSA-N 0 3 198.245 0.795 20 0 ACADHN Cn1nncc1CN[C@@H]1CCSC1 227127147 169069421 /nfs/dbraw/zinc/06/94/21/169069421.db2.gz HKWQJXLLDZDPPM-SSDOTTSWSA-N 0 3 198.295 0.410 20 0 ACADHN Cn1nncc1CN[C@H]1CC[C@@H](F)C1 307395980 169069445 /nfs/dbraw/zinc/06/94/45/169069445.db2.gz AOWQZNXRRNKMPD-SFYZADRCSA-N 0 3 198.245 0.795 20 0 ACADHN Cn1nncc1CN[C@H]1CC[C@H](F)C1 307395981 169069688 /nfs/dbraw/zinc/06/96/88/169069688.db2.gz AOWQZNXRRNKMPD-YUMQZZPRSA-N 0 3 198.245 0.795 20 0 ACADHN Cn1nncc1CN[C@H]1CCSC1 227127154 169070195 /nfs/dbraw/zinc/07/01/95/169070195.db2.gz HKWQJXLLDZDPPM-ZETCQYMHSA-N 0 3 198.295 0.410 20 0 ACADHN Cn1nncc1CNC1CCC1 129756321 169070274 /nfs/dbraw/zinc/07/02/74/169070274.db2.gz QVFHDRBZEYWSFX-UHFFFAOYSA-N 0 3 166.228 0.457 20 0 ACADHN Fc1cnc2c(c1)CCNC2 95642439 169089125 /nfs/dbraw/zinc/08/91/25/169089125.db2.gz BDFUYFSIHKQLFU-UHFFFAOYSA-N 0 3 152.172 0.866 20 0 ACADHN CNC(=O)N[C@@H]1CCN(C2CC2)C1 136224309 343977580 /nfs/dbraw/zinc/97/75/80/343977580.db2.gz HTVJMASCFXDONC-SSDOTTSWSA-N 0 3 183.255 0.152 20 0 ACADHN N=C(N)c1ccc2ncccc2n1 67173617 169140671 /nfs/dbraw/zinc/14/06/71/169140671.db2.gz TVWHWFXZTDPSAC-UHFFFAOYSA-N 0 3 172.191 0.914 20 0 ACADHN N=C(N)c1c[nH]nc1C(F)(F)F 75893315 169141629 /nfs/dbraw/zinc/14/16/29/169141629.db2.gz SNKYWXFPESUXSY-UHFFFAOYSA-N 0 3 178.117 0.713 20 0 ACADHN N=C(N)c1nccc2ncccc12 67173615 169141765 /nfs/dbraw/zinc/14/17/65/169141765.db2.gz MDSBQQZPBYJDPS-UHFFFAOYSA-N 0 3 172.191 0.914 20 0 ACADHN N=C(N)c1cnc(C(F)(F)F)nc1 75847709 169141883 /nfs/dbraw/zinc/14/18/83/169141883.db2.gz ULHYWOOUAZBTKE-UHFFFAOYSA-N 0 3 190.128 0.779 20 0 ACADHN N=C(N)c1ccc2cccnc2n1 67173612 169142132 /nfs/dbraw/zinc/14/21/32/169142132.db2.gz QUSFQAHFXFWAJZ-UHFFFAOYSA-N 0 3 172.191 0.914 20 0 ACADHN NC(=O)CN1CC[C@H]([C@H]2CCOC2)C1 334309721 169142887 /nfs/dbraw/zinc/14/28/87/169142887.db2.gz NFUAEVVTVITGKT-IUCAKERBSA-N 0 3 198.266 0.880 20 0 ACADHN NC(=O)CN1CC[C@H]([C@@H]2CCOC2)C1 334309720 169143010 /nfs/dbraw/zinc/14/30/10/169143010.db2.gz NFUAEVVTVITGKT-DTWKUNHWSA-N 0 3 198.266 0.880 20 0 ACADHN NC(=O)CN1CC[C@@H]([C@@H]2CCOC2)C1 334309722 169143286 /nfs/dbraw/zinc/14/32/86/169143286.db2.gz NFUAEVVTVITGKT-RKDXNWHRSA-N 0 3 198.266 0.880 20 0 ACADHN NC(=O)CN1CC[C@@H]([C@H]2CCOC2)C1 334309719 169143555 /nfs/dbraw/zinc/14/35/55/169143555.db2.gz NFUAEVVTVITGKT-BDAKNGLRSA-N 0 3 198.266 0.880 20 0 ACADHN NC(=O)CN1CC[C@@H](O)C12CCCC2 336418298 169143655 /nfs/dbraw/zinc/14/36/55/169143655.db2.gz ZEXMEKGPJONTHS-MRVPVSSYSA-N 0 3 198.266 0.901 20 0 ACADHN NC(=O)CN1CC[C@H](O)C12CCCC2 336418299 169143737 /nfs/dbraw/zinc/14/37/37/169143737.db2.gz ZEXMEKGPJONTHS-QMMMGPOBSA-N 0 3 198.266 0.901 20 0 ACADHN N=C1NC(=N)c2cc(N)ccc21 95829370 169144029 /nfs/dbraw/zinc/14/40/29/169144029.db2.gz OYBGIZAJPJRUQT-UHFFFAOYSA-N 0 3 160.180 0.313 20 0 ACADHN NC(=O)C1(N[C@H]2CCSC2)CC1 306892048 169146071 /nfs/dbraw/zinc/14/60/71/169146071.db2.gz XDDSIKOOMMDBQL-LURJTMIESA-N 0 3 186.280 0.099 20 0 ACADHN NC(=O)C1(N[C@H]2C=CCCC2)CC1 307516423 169146257 /nfs/dbraw/zinc/14/62/57/169146257.db2.gz GYMYTCGJJRXIMO-QMMMGPOBSA-N 0 3 180.251 0.703 20 0 ACADHN NC(=O)C1(N[C@@H]2CCSC2)CC1 306892049 169146683 /nfs/dbraw/zinc/14/66/83/169146683.db2.gz XDDSIKOOMMDBQL-ZCFIWIBFSA-N 0 3 186.280 0.099 20 0 ACADHN NC(=O)C1(N[C@@H]2C=CCCC2)CC1 307516421 169146911 /nfs/dbraw/zinc/14/69/11/169146911.db2.gz GYMYTCGJJRXIMO-MRVPVSSYSA-N 0 3 180.251 0.703 20 0 ACADHN NC(=O)CCNCc1ccncc1 34938168 169149221 /nfs/dbraw/zinc/14/92/21/169149221.db2.gz ZHQGKMPWBXFIAB-UHFFFAOYSA-N 0 3 179.223 0.047 20 0 ACADHN NC(=O)CCN1CC2(CCCC2)C1 306304716 169149371 /nfs/dbraw/zinc/14/93/71/169149371.db2.gz BVRFISGVMALXTN-UHFFFAOYSA-N 0 3 182.267 0.738 20 0 ACADHN NC(=O)CN1C[C@H]2CCC[C@H]2C1 132033669 169150424 /nfs/dbraw/zinc/15/04/24/169150424.db2.gz MBGZOYFTKPVDFZ-OCAPTIKFSA-N 0 3 168.240 0.204 20 0 ACADHN NC(=O)CN1CCC[C@@H]1C1CCC1 307755735 169150608 /nfs/dbraw/zinc/15/06/08/169150608.db2.gz FIVTWXHGJXEWDK-SECBINFHSA-N 0 3 182.267 0.736 20 0 ACADHN NC(=O)CN1CCC2(CCC2)C1 306279837 169151091 /nfs/dbraw/zinc/15/10/91/169151091.db2.gz ZIMCHPGWYZFYOM-UHFFFAOYSA-N 0 3 168.240 0.348 20 0 ACADHN NC(=O)CN1C[C@@H]2CCC[C@H]2C1 132033856 169151201 /nfs/dbraw/zinc/15/12/01/169151201.db2.gz MBGZOYFTKPVDFZ-YUMQZZPRSA-N 0 3 168.240 0.204 20 0 ACADHN NC(=O)CN1CC[C@@H](C2CC2)C1 306481505 169151482 /nfs/dbraw/zinc/15/14/82/169151482.db2.gz NYHGILFGILAAPO-MRVPVSSYSA-N 0 3 168.240 0.204 20 0 ACADHN NC(=O)CN1C[C@H]2CCCC[C@H]2C1 115017486 169151749 /nfs/dbraw/zinc/15/17/49/169151749.db2.gz UKEICOHZCNZUHX-DTORHVGOSA-N 0 3 182.267 0.594 20 0 ACADHN NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 111249685 169151859 /nfs/dbraw/zinc/15/18/59/169151859.db2.gz QUEKCHSEYSSKOH-IUCAKERBSA-N 0 3 182.267 0.736 20 0 ACADHN NC(=O)CN1C[C@H]2CCC[C@@H]2C1 132034084 169151882 /nfs/dbraw/zinc/15/18/82/169151882.db2.gz MBGZOYFTKPVDFZ-HTQZYQBOSA-N 0 3 168.240 0.204 20 0 ACADHN NC(=O)CNCCc1ccccc1 19260354 169152092 /nfs/dbraw/zinc/15/20/92/169152092.db2.gz SRFNZJUMTYLFEO-UHFFFAOYSA-N 0 3 178.235 0.304 20 0 ACADHN NC(=O)CN1CCC[C@H]1C1CCC1 307755736 169152181 /nfs/dbraw/zinc/15/21/81/169152181.db2.gz FIVTWXHGJXEWDK-VIFPVBQESA-N 0 3 182.267 0.736 20 0 ACADHN NC(=O)CN1CC[C@H](C2CC2)C1 306481506 169152214 /nfs/dbraw/zinc/15/22/14/169152214.db2.gz NYHGILFGILAAPO-QMMMGPOBSA-N 0 3 168.240 0.204 20 0 ACADHN NC(=O)C[C@@H](N)c1cccc(F)c1 20578244 169152838 /nfs/dbraw/zinc/15/28/38/169152838.db2.gz BQXQHMGTDCVJQM-MRVPVSSYSA-N 0 3 182.198 0.701 20 0 ACADHN NC(=O)C[C@@H](N)c1ccsc1 20578233 169154042 /nfs/dbraw/zinc/15/40/42/169154042.db2.gz NEDPQSFIWGVJSS-ZCFIWIBFSA-N 0 3 170.237 0.623 20 0 ACADHN NC(=O)C[C@H](N)c1ccsc1 20578230 169155140 /nfs/dbraw/zinc/15/51/40/169155140.db2.gz NEDPQSFIWGVJSS-LURJTMIESA-N 0 3 170.237 0.623 20 0 ACADHN NC(=O)C[C@H](N)c1cccc(F)c1 20578242 169155529 /nfs/dbraw/zinc/15/55/29/169155529.db2.gz BQXQHMGTDCVJQM-QMMMGPOBSA-N 0 3 182.198 0.701 20 0 ACADHN NC(=O)NC(=O)CN1CCCCCC1 306325356 169156302 /nfs/dbraw/zinc/15/63/02/169156302.db2.gz OFLIJZAWRSSLSG-UHFFFAOYSA-N 0 3 199.254 0.057 20 0 ACADHN NC(=O)N1CCN(C2CCCC2)CC1 48440588 169156848 /nfs/dbraw/zinc/15/68/48/169156848.db2.gz FUONTCIKNPJHQA-UHFFFAOYSA-N 0 3 197.282 0.625 20 0 ACADHN NC(=O)NC[C@@H]1CCCCN1C1CC1 336477482 169157914 /nfs/dbraw/zinc/15/79/14/169157914.db2.gz ROFDMPZZQSHMIV-VIFPVBQESA-N 0 3 197.282 0.672 20 0 ACADHN NC(=O)NCCN1CCCCCC1 306714500 169158013 /nfs/dbraw/zinc/15/80/13/169158013.db2.gz QQIHBTMZYNGLPA-UHFFFAOYSA-N 0 3 185.271 0.531 20 0 ACADHN NC(=O)NC[C@H]1CCCCN1C1CC1 336477481 169158300 /nfs/dbraw/zinc/15/83/00/169158300.db2.gz ROFDMPZZQSHMIV-SECBINFHSA-N 0 3 197.282 0.672 20 0 ACADHN NC(=O)NCCN1CCCCC1 42350370 169158625 /nfs/dbraw/zinc/15/86/25/169158625.db2.gz FDAWBMYJDPMZIA-UHFFFAOYSA-N 0 3 171.244 0.141 20 0 ACADHN NC(=O)[C@@H]1CC[C@@H](c2ccccc2)N1 96034665 169161367 /nfs/dbraw/zinc/16/13/67/169161367.db2.gz YAFZGWDDRQXPLX-UWVGGRQHSA-N 0 3 190.246 0.965 20 0 in-vitro ACADHN NC(=O)[C@@H]1CC[C@H](c2ccccc2)N1 96034666 169161480 /nfs/dbraw/zinc/16/14/80/169161480.db2.gz YAFZGWDDRQXPLX-ZJUUUORDSA-N 0 3 190.246 0.965 20 0 in-vitro ACADHN NC(=O)[C@@H]1CCCN1CC1CCC1 306288848 169161509 /nfs/dbraw/zinc/16/15/09/169161509.db2.gz NBTBBUUNBHGFQQ-VIFPVBQESA-N 0 3 182.267 0.736 20 0 ACADHN NC(=O)[C@H]1CC[C@@H](c2ccccc2)N1 96034663 169163049 /nfs/dbraw/zinc/16/30/49/169163049.db2.gz YAFZGWDDRQXPLX-VHSXEESVSA-N 0 3 190.246 0.965 20 0 in-vitro ACADHN NC(=O)[C@H]1CCCN1CC1CCC1 306288846 169163082 /nfs/dbraw/zinc/16/30/82/169163082.db2.gz NBTBBUUNBHGFQQ-SECBINFHSA-N 0 3 182.267 0.736 20 0 ACADHN NC(=S)[C@@H](N)c1ccccc1 68577632 169166348 /nfs/dbraw/zinc/16/63/48/169166348.db2.gz MWYKYPSXTVKJAC-ZETCQYMHSA-N 0 3 166.249 0.973 20 0 ACADHN NC(=S)[C@H](N)c1ccccc1 68577633 169166650 /nfs/dbraw/zinc/16/66/50/169166650.db2.gz MWYKYPSXTVKJAC-SSDOTTSWSA-N 0 3 166.249 0.973 20 0 ACADHN NC1COc2ccccc2OC1 83269716 169173233 /nfs/dbraw/zinc/17/32/33/169173233.db2.gz STFVQAUWGXWDGZ-UHFFFAOYSA-N 0 3 165.192 0.785 20 0 ACADHN NCC(=O)NC1CCCCCC1 11957107 169174231 /nfs/dbraw/zinc/17/42/31/169174231.db2.gz WBEUZIGFPLGYPO-UHFFFAOYSA-N 0 3 170.256 0.784 20 0 ACADHN NCC(=O)NC[C@@H]1Cc2ccccc21 37472971 169174285 /nfs/dbraw/zinc/17/42/85/169174285.db2.gz BFXDVCAXNPUKND-VIFPVBQESA-N 0 3 190.246 0.401 20 0 ACADHN NCC(=O)N1CC[C@@H]2CCCC[C@@H]2C1 35219713 169174391 /nfs/dbraw/zinc/17/43/91/169174391.db2.gz KTWBXAMLFPEXEG-VHSXEESVSA-N 0 3 196.294 0.984 20 0 ACADHN NCC(=O)NCCc1ccccc1F 11956739 169174436 /nfs/dbraw/zinc/17/44/36/169174436.db2.gz NJTGQXMBAOEIFU-UHFFFAOYSA-N 0 3 196.225 0.443 20 0 ACADHN NCC(=O)N1CC[C@@H]2CCCC[C@H]2C1 35219714 169174471 /nfs/dbraw/zinc/17/44/71/169174471.db2.gz KTWBXAMLFPEXEG-UWVGGRQHSA-N 0 3 196.294 0.984 20 0 ACADHN NCC(=O)NCCc1cccs1 11956726 169174581 /nfs/dbraw/zinc/17/45/81/169174581.db2.gz HSKXSIKXZOLYPD-UHFFFAOYSA-N 0 3 184.264 0.366 20 0 ACADHN NCC(=O)N1CCOC2(CCCC2)C1 335533121 169174687 /nfs/dbraw/zinc/17/46/87/169174687.db2.gz PKMLRZAASXMYNN-UHFFFAOYSA-N 0 3 198.266 0.117 20 0 ACADHN NCC(=O)NCCc1ccc(F)cc1 11956747 169174714 /nfs/dbraw/zinc/17/47/14/169174714.db2.gz HMSHUELZADJLEA-UHFFFAOYSA-N 0 3 196.225 0.443 20 0 ACADHN NCC(=O)N1CC[C@H]2CCCC[C@H]2C1 35219716 169174812 /nfs/dbraw/zinc/17/48/12/169174812.db2.gz KTWBXAMLFPEXEG-ZJUUUORDSA-N 0 3 196.294 0.984 20 0 ACADHN NCC(=O)NCCOc1ccccc1 41206649 169174920 /nfs/dbraw/zinc/17/49/20/169174920.db2.gz FSEVEUWGELBPCF-UHFFFAOYSA-N 0 3 194.234 0.140 20 0 ACADHN NCC(=O)NCCC1=CCCCC1 11956614 169174995 /nfs/dbraw/zinc/17/49/95/169174995.db2.gz AVZFLVSPBIAOSD-UHFFFAOYSA-N 0 3 182.267 0.952 20 0 ACADHN NCC(=O)N1CC[C@H]2CCCC[C@@H]2C1 35219715 169175027 /nfs/dbraw/zinc/17/50/27/169175027.db2.gz KTWBXAMLFPEXEG-NXEZZACHSA-N 0 3 196.294 0.984 20 0 ACADHN NCC(=O)NC(C1CC1)C1CC1 42237594 169175250 /nfs/dbraw/zinc/17/52/50/169175250.db2.gz IWTBVIJGHOZYBE-UHFFFAOYSA-N 0 3 168.240 0.250 20 0 ACADHN NCC(=O)NCC1CCCC1 37258790 169175305 /nfs/dbraw/zinc/17/53/05/169175305.db2.gz MDVKEOFTNHHCSZ-UHFFFAOYSA-N 0 3 156.229 0.252 20 0 ACADHN NCC(=O)N1CCc2ccsc2C1 335659527 169175353 /nfs/dbraw/zinc/17/53/53/169175353.db2.gz XZGDYFCXYDJEDN-UHFFFAOYSA-N 0 3 196.275 0.592 20 0 ACADHN NCC(=O)NCc1cccs1 11953499 169175363 /nfs/dbraw/zinc/17/53/63/169175363.db2.gz OZEDJJMZJJFVOM-UHFFFAOYSA-N 0 3 170.237 0.323 20 0 ACADHN NCC(=O)NCCC(F)(F)F 63100931 169175438 /nfs/dbraw/zinc/17/54/38/169175438.db2.gz PPFLLWDIBPUSJK-UHFFFAOYSA-N 0 3 170.134 0.014 20 0 ACADHN NCC(=O)NC[C@H]1Cc2ccccc21 37472970 169175469 /nfs/dbraw/zinc/17/54/69/169175469.db2.gz BFXDVCAXNPUKND-SECBINFHSA-N 0 3 190.246 0.401 20 0 ACADHN NCC(=O)NCCc1ccc(O)cc1 32142762 169175582 /nfs/dbraw/zinc/17/55/82/169175582.db2.gz IDJVSQLAIKTUIR-UHFFFAOYSA-N 0 3 194.234 0.010 20 0 ACADHN NCC(=O)NCCCc1ccccc1 11957095 169175727 /nfs/dbraw/zinc/17/57/27/169175727.db2.gz KSZIFMFTUWWQSN-UHFFFAOYSA-N 0 3 192.262 0.694 20 0 ACADHN NCC(=O)NCCc1cccc(F)c1 36779665 169175746 /nfs/dbraw/zinc/17/57/46/169175746.db2.gz QOIXMDPXKBIYBX-UHFFFAOYSA-N 0 3 196.225 0.443 20 0 ACADHN [NH3+]CCC(=O)Nc1ccccc1[O-] 70203924 169178616 /nfs/dbraw/zinc/17/86/16/169178616.db2.gz QCERHKRZHPPQGB-UHFFFAOYSA-N 0 3 180.207 0.680 20 0 ACADHN NCCn1c(=O)cnc2ccccc21 19385785 169199916 /nfs/dbraw/zinc/19/99/16/169199916.db2.gz IUXSKOMLQBDFRS-UHFFFAOYSA-N 0 3 189.218 0.355 20 0 ACADHN NCCn1cnc(C2CC2)cc1=O 95908453 169201604 /nfs/dbraw/zinc/20/16/04/169201604.db2.gz AOUGGEDLHZKVHJ-UHFFFAOYSA-N 0 3 179.223 0.079 20 0 ACADHN NC[C@@H](O)C(=O)OCc1ccccc1 34310099 169202450 /nfs/dbraw/zinc/20/24/50/169202450.db2.gz LNPVLXNEAYADKT-SECBINFHSA-N 0 3 195.218 0.049 20 0 ACADHN NC[C@@H](N)c1cccc(F)c1F 72200081 169202987 /nfs/dbraw/zinc/20/29/87/169202987.db2.gz FQBMUXNXWGYMHY-SSDOTTSWSA-N 0 3 172.178 0.923 20 0 ACADHN NC[C@@H](O)c1cccc(F)c1F 59700058 169204622 /nfs/dbraw/zinc/20/46/22/169204622.db2.gz XSZADYCLMNJKRO-SSDOTTSWSA-N 0 3 173.162 0.957 20 0 ACADHN NC[C@@H](O)c1nccs1 20438709 169204846 /nfs/dbraw/zinc/20/48/46/169204846.db2.gz YITMIMFEDYPHGH-SCSAIBSYSA-N 0 3 144.199 0.135 20 0 ACADHN NC[C@@H](O)c1ccc(Cl)cn1 83272031 169205663 /nfs/dbraw/zinc/20/56/63/169205663.db2.gz QKWUUKLICHKXSI-SSDOTTSWSA-N 0 3 172.615 0.727 20 0 ACADHN NC[C@@H]1CC[N@H+](CCCC(=O)[O-])C1 50250058 169207563 /nfs/dbraw/zinc/20/75/63/169207563.db2.gz LKYVYANLXJAKHF-QMMMGPOBSA-N 0 3 186.255 0.132 20 0 ACADHN NC[C@@H]1CC[N@@H+](CCCC(=O)[O-])C1 50250058 169207565 /nfs/dbraw/zinc/20/75/65/169207565.db2.gz LKYVYANLXJAKHF-QMMMGPOBSA-N 0 3 186.255 0.132 20 0 ACADHN NC[C@H](N)c1cccc(F)c1F 72200082 169212778 /nfs/dbraw/zinc/21/27/78/169212778.db2.gz FQBMUXNXWGYMHY-ZETCQYMHSA-N 0 3 172.178 0.923 20 0 ACADHN NC[C@H](O)C(=O)OCc1ccccc1 34310101 169213105 /nfs/dbraw/zinc/21/31/05/169213105.db2.gz LNPVLXNEAYADKT-VIFPVBQESA-N 0 3 195.218 0.049 20 0 ACADHN NC[C@H](O)c1nccs1 20438712 169213626 /nfs/dbraw/zinc/21/36/26/169213626.db2.gz YITMIMFEDYPHGH-BYPYZUCNSA-N 0 3 144.199 0.135 20 0 ACADHN NC[C@H](O)c1ccc(Cl)cn1 83272032 169214020 /nfs/dbraw/zinc/21/40/20/169214020.db2.gz QKWUUKLICHKXSI-ZETCQYMHSA-N 0 3 172.615 0.727 20 0 ACADHN NC[C@H](O)c1cccc(F)c1F 59700059 169214033 /nfs/dbraw/zinc/21/40/33/169214033.db2.gz XSZADYCLMNJKRO-ZETCQYMHSA-N 0 3 173.162 0.957 20 0 ACADHN NC[C@H]1CC[N@H+](CCCC(=O)[O-])C1 50250060 169216009 /nfs/dbraw/zinc/21/60/09/169216009.db2.gz LKYVYANLXJAKHF-MRVPVSSYSA-N 0 3 186.255 0.132 20 0 ACADHN NC[C@H]1CC[N@@H+](CCCC(=O)[O-])C1 50250060 169216010 /nfs/dbraw/zinc/21/60/10/169216010.db2.gz LKYVYANLXJAKHF-MRVPVSSYSA-N 0 3 186.255 0.132 20 0 ACADHN NCc1cc(-c2ccccn2)n[nH]1 50478878 169218283 /nfs/dbraw/zinc/21/82/83/169218283.db2.gz JMPUUINFIXGCMI-UHFFFAOYSA-N 0 3 174.207 0.930 20 0 ACADHN NCc1cc(-c2cccnc2)ncn1 82392331 169218374 /nfs/dbraw/zinc/21/83/74/169218374.db2.gz PDJKURVADPAUJK-UHFFFAOYSA-N 0 3 186.218 0.997 20 0 ACADHN NCc1c(Cl)ccnc1N 95803662 169219364 /nfs/dbraw/zinc/21/93/64/169219364.db2.gz YGCSUJGPJHFVFK-UHFFFAOYSA-N 0 3 157.604 0.776 20 0 ACADHN NCc1cc2nccn2[nH]1 82823280 169220325 /nfs/dbraw/zinc/22/03/25/169220325.db2.gz JWOJBUMGYDBFQT-UHFFFAOYSA-N 0 3 136.158 0.121 20 0 ACADHN NCc1cc(F)c(F)nc1F 39088931 169220440 /nfs/dbraw/zinc/22/04/40/169220440.db2.gz FNKNICJNCJGHAR-UHFFFAOYSA-N 0 3 162.114 0.958 20 0 ACADHN NCc1cc(Cl)cnc1N 69943657 169221079 /nfs/dbraw/zinc/22/10/79/169221079.db2.gz FRGNYBFHITUCOU-UHFFFAOYSA-N 0 3 157.604 0.776 20 0 ACADHN NCc1cc2cccnc2[nH]c1=O 82634140 169221807 /nfs/dbraw/zinc/22/18/07/169221807.db2.gz CVWWJWNTEYSSJQ-UHFFFAOYSA-N 0 3 175.191 0.382 20 0 ACADHN NCc1ccc(CO)cn1 39050303 169221881 /nfs/dbraw/zinc/22/18/81/169221881.db2.gz GNSCYCNQOANMTI-UHFFFAOYSA-N 0 3 138.170 0.033 20 0 in-vitro ACADHN NCc1ccc(-c2cncnc2)nc1 215688073 169222345 /nfs/dbraw/zinc/22/23/45/169222345.db2.gz UPZFFBUSTQBJGV-UHFFFAOYSA-N 0 3 186.218 0.997 20 0 ACADHN NCc1ccc2n[nH]cc2n1 89219799 169223311 /nfs/dbraw/zinc/22/33/11/169223311.db2.gz KYOGGCCICUHQBH-UHFFFAOYSA-N 0 3 148.169 0.417 20 0 ACADHN NCc1cccc(F)c1N 82631501 169224542 /nfs/dbraw/zinc/22/45/42/169224542.db2.gz DXSCGNZXOQNXPT-UHFFFAOYSA-N 0 3 140.161 0.867 20 0 ACADHN NCc1cccc2ncnn12 82840059 169224858 /nfs/dbraw/zinc/22/48/58/169224858.db2.gz MWWGEGUHONFWAC-UHFFFAOYSA-N 0 3 148.169 0.188 20 0 ACADHN NCc1cccc(NC(=O)C2CC2)n1 74379910 169224972 /nfs/dbraw/zinc/22/49/72/169224972.db2.gz IHIGYNDSZFONOP-UHFFFAOYSA-N 0 3 191.234 0.889 20 0 ACADHN NCc1cn(Cc2ccsc2)nn1 50224428 169225110 /nfs/dbraw/zinc/22/51/10/169225110.db2.gz ZNZFPFXNHZCYJI-UHFFFAOYSA-N 0 3 194.263 0.847 20 0 ACADHN NCc1cn(CC2CCCC2)nn1 50224464 169225141 /nfs/dbraw/zinc/22/51/41/169225141.db2.gz IHYLFIWMHVHLMW-UHFFFAOYSA-N 0 3 180.255 0.927 20 0 ACADHN NCc1cn(Cc2cscn2)nn1 50224624 169225274 /nfs/dbraw/zinc/22/52/74/169225274.db2.gz HGNBVXDMZOADIJ-UHFFFAOYSA-N 0 3 195.251 0.242 20 0 ACADHN NCc1cccnc1N1CCC1 95930300 169225442 /nfs/dbraw/zinc/22/54/42/169225442.db2.gz OGTXRPKLOJMYBH-UHFFFAOYSA-N 0 3 163.224 0.750 20 0 ACADHN NCc1cn(Cc2cccs2)nn1 50224599 169225623 /nfs/dbraw/zinc/22/56/23/169225623.db2.gz BFWJGVRIBIXJFY-UHFFFAOYSA-N 0 3 194.263 0.847 20 0 ACADHN NCc1cn(C[C@@H]2CCCCO2)nn1 50224418 169225644 /nfs/dbraw/zinc/22/56/44/169225644.db2.gz YJWMOMJLYJBRSE-VIFPVBQESA-N 0 3 196.254 0.306 20 0 ACADHN NCc1cn(Cc2ccncc2)nn1 50224551 169225650 /nfs/dbraw/zinc/22/56/50/169225650.db2.gz KLBKTZUKABYIFO-UHFFFAOYSA-N 0 3 189.222 0.180 20 0 ACADHN NCc1cn(CC(F)(F)F)nn1 50224575 169226019 /nfs/dbraw/zinc/22/60/19/169226019.db2.gz KDLJUVBFXJHBSO-UHFFFAOYSA-N 0 3 180.133 0.299 20 0 ACADHN NCc1cn(C[C@H]2CCCCO2)nn1 50224419 169226063 /nfs/dbraw/zinc/22/60/63/169226063.db2.gz YJWMOMJLYJBRSE-SECBINFHSA-N 0 3 196.254 0.306 20 0 ACADHN NCc1ccnc(C2CC2)n1 54791067 169226169 /nfs/dbraw/zinc/22/61/69/169226169.db2.gz KUXJWTUSXJJOLO-UHFFFAOYSA-N 0 3 149.197 0.813 20 0 ACADHN NCc1cn(CC2CC2)nn1 50224427 169226175 /nfs/dbraw/zinc/22/61/75/169226175.db2.gz KELKBKXPSNKQRJ-UHFFFAOYSA-N 0 3 152.201 0.147 20 0 ACADHN NCc1cnc(-c2cccnc2)nc1 35323110 169226307 /nfs/dbraw/zinc/22/63/07/169226307.db2.gz NOQVIWWDGLEVQQ-UHFFFAOYSA-N 0 3 186.218 0.997 20 0 ACADHN NCc1cn(CC2CCOCC2)nn1 52175506 169226321 /nfs/dbraw/zinc/22/63/21/169226321.db2.gz SWMQIZUBEWCTSR-UHFFFAOYSA-N 0 3 196.254 0.163 20 0 ACADHN NCc1cccn(C2CC2)c1=O 62171195 169226396 /nfs/dbraw/zinc/22/63/96/169226396.db2.gz UGIQPDVITGHFMF-UHFFFAOYSA-N 0 3 164.208 0.642 20 0 ACADHN NCc1cn(Cc2cccnc2)nn1 50224573 169226421 /nfs/dbraw/zinc/22/64/21/169226421.db2.gz SZHDWUWHLHXGRR-UHFFFAOYSA-N 0 3 189.222 0.180 20 0 ACADHN NCc1cncc(-c2cncnc2)c1 82635874 169226593 /nfs/dbraw/zinc/22/65/93/169226593.db2.gz JUYSHUDZQGNSJT-UHFFFAOYSA-N 0 3 186.218 0.997 20 0 ACADHN NCc1cncc(-c2ncccn2)c1 91351660 169226643 /nfs/dbraw/zinc/22/66/43/169226643.db2.gz QOJMHZSUYPKBAC-UHFFFAOYSA-N 0 3 186.218 0.997 20 0 ACADHN NCc1cnn(C[C@H]2CCCCO2)c1 54716781 169226653 /nfs/dbraw/zinc/22/66/53/169226653.db2.gz MOWFZTDVHHPWGW-SNVBAGLBSA-N 0 3 195.266 0.911 20 0 ACADHN NCc1cnn(C[C@@H]2CCOC2)c1 54716805 169226763 /nfs/dbraw/zinc/22/67/63/169226763.db2.gz PWEUHOLIRNRPCE-QMMMGPOBSA-N 0 3 181.239 0.378 20 0 ACADHN NCc1cnn2c1NCCC2 24426005 169226833 /nfs/dbraw/zinc/22/68/33/169226833.db2.gz UYEZZVFQLJFXSF-UHFFFAOYSA-N 0 3 152.201 0.157 20 0 ACADHN NCc1cnn(C[C@@H]2CCCCO2)c1 54716780 169226840 /nfs/dbraw/zinc/22/68/40/169226840.db2.gz MOWFZTDVHHPWGW-JTQLQIEISA-N 0 3 195.266 0.911 20 0 ACADHN NCc1cnc(N)nc1C(F)(F)F 82636705 169226864 /nfs/dbraw/zinc/22/68/64/169226864.db2.gz IZDXGXBLPREWJU-UHFFFAOYSA-N 0 3 192.144 0.536 20 0 ACADHN NCc1cncc(-c2ccnnc2)c1 91351654 169226915 /nfs/dbraw/zinc/22/69/15/169226915.db2.gz HYSYHHUCAHVUDU-UHFFFAOYSA-N 0 3 186.218 0.997 20 0 ACADHN NCc1cnn(CC2CC2)c1 54716786 169226969 /nfs/dbraw/zinc/22/69/69/169226969.db2.gz POWWQFFCQPNZHM-UHFFFAOYSA-N 0 3 151.213 0.752 20 0 ACADHN NCc1cnn(C[C@H]2CCCO2)c1 54716757 169227045 /nfs/dbraw/zinc/22/70/45/169227045.db2.gz VEEZFQCDRGDCEH-SECBINFHSA-N 0 3 181.239 0.521 20 0 ACADHN NCc1cnn(-c2cnccn2)c1 82634148 169227111 /nfs/dbraw/zinc/22/71/11/169227111.db2.gz NHMZAZBKALRQJC-UHFFFAOYSA-N 0 3 175.195 0.121 20 0 ACADHN NCc1cnc2[nH]cnc2c1 26460417 169227158 /nfs/dbraw/zinc/22/71/58/169227158.db2.gz MEWAEQZMKCHYPB-UHFFFAOYSA-N 0 3 148.169 0.417 20 0 ACADHN NCc1cncc(-c2cccnn2)c1 91351650 169227331 /nfs/dbraw/zinc/22/73/31/169227331.db2.gz RZJPQOHZXZWTFX-UHFFFAOYSA-N 0 3 186.218 0.997 20 0 ACADHN NCc1cnn(CC2CCOCC2)c1 54716798 169227480 /nfs/dbraw/zinc/22/74/80/169227480.db2.gz WFBDRTQGGZZHPO-UHFFFAOYSA-N 0 3 195.266 0.768 20 0 ACADHN NCc1cnn(-c2ncccn2)c1 35728335 169227530 /nfs/dbraw/zinc/22/75/30/169227530.db2.gz IXVCCRJTOPNSGS-UHFFFAOYSA-N 0 3 175.195 0.121 20 0 ACADHN NCc1cnn2cc[nH]c12 82823274 169227636 /nfs/dbraw/zinc/22/76/36/169227636.db2.gz IBQZARLKCZFNLJ-UHFFFAOYSA-N 0 3 136.158 0.121 20 0 ACADHN NCc1cncc(-c2cnccn2)c1 91351648 169227638 /nfs/dbraw/zinc/22/76/38/169227638.db2.gz JNOSJTXASARJEP-UHFFFAOYSA-N 0 3 186.218 0.997 20 0 ACADHN NCc1cnn(C[C@@H]2CCCO2)c1 54716756 169227703 /nfs/dbraw/zinc/22/77/03/169227703.db2.gz VEEZFQCDRGDCEH-VIFPVBQESA-N 0 3 181.239 0.521 20 0 ACADHN NCc1cnn(C[C@H]2CCOC2)c1 54716806 169227804 /nfs/dbraw/zinc/22/78/04/169227804.db2.gz PWEUHOLIRNRPCE-MRVPVSSYSA-N 0 3 181.239 0.378 20 0 ACADHN NCc1cnc2sccn12 82407302 169227895 /nfs/dbraw/zinc/22/78/95/169227895.db2.gz KKXVXXAFXMPTMT-UHFFFAOYSA-N 0 3 153.210 0.855 20 0 in-vitro ACADHN NCc1cnn2ncccc12 24728211 169227974 /nfs/dbraw/zinc/22/79/74/169227974.db2.gz UWSXVXNBKMPKKU-UHFFFAOYSA-N 0 3 148.169 0.188 20 0 ACADHN NCc1nccnc1-c1ccncc1 77272798 169230900 /nfs/dbraw/zinc/23/09/00/169230900.db2.gz WJWINMDSXUTQFD-UHFFFAOYSA-N 0 3 186.218 0.997 20 0 ACADHN NCc1nccnc1-c1cccnc1 77272793 169231857 /nfs/dbraw/zinc/23/18/57/169231857.db2.gz ZVXQXJIYSYDBRE-UHFFFAOYSA-N 0 3 186.218 0.997 20 0 ACADHN NN1CCN(C2CCCCC2)CC1 98180642 169233917 /nfs/dbraw/zinc/23/39/17/169233917.db2.gz KLAFGNZLJAZPOS-UHFFFAOYSA-N 0 3 183.299 0.810 20 0 ACADHN NN=c1ccc(-c2ccncc2)n[nH]1 39383536 169237336 /nfs/dbraw/zinc/23/73/36/169237336.db2.gz PJUHHAGRESHDHV-UHFFFAOYSA-N 0 3 187.206 0.824 20 0 ACADHN NNc1ccc(Cl)c(CO)n1 61639804 169237701 /nfs/dbraw/zinc/23/77/01/169237701.db2.gz JBXRGLNMGLXTJD-UHFFFAOYSA-N 0 3 173.603 0.513 20 0 in-vitro ACADHN NNc1ncc2c(n1)CCC2 72448781 169238472 /nfs/dbraw/zinc/23/84/72/169238472.db2.gz QPNUWDGIICOUDU-UHFFFAOYSA-N 0 3 150.185 0.251 20 0 ACADHN N[C@@H](C(=O)NC1CCC1)C1CCC1 306960079 169241987 /nfs/dbraw/zinc/24/19/87/169241987.db2.gz BBADRMRNIZGWHR-SECBINFHSA-N 0 3 182.267 0.783 20 0 ACADHN N[C@@H](C(=O)Nc1cn[nH]c1)C1CCC1 306616201 169242112 /nfs/dbraw/zinc/24/21/12/169242112.db2.gz PYEHSBVMIJBBAX-MRVPVSSYSA-N 0 3 194.238 0.476 20 0 ACADHN N[C@@H](C(=O)Nc1cc[nH]n1)C1CCC1 306773352 169242157 /nfs/dbraw/zinc/24/21/57/169242157.db2.gz AHUBCNKNEQLXIC-MRVPVSSYSA-N 0 3 194.238 0.476 20 0 ACADHN N[C@@H](C(=O)NC1CC1)C1CCC1 306879699 169242555 /nfs/dbraw/zinc/24/25/55/169242555.db2.gz FCGBHAZJWSCDNI-MRVPVSSYSA-N 0 3 168.240 0.392 20 0 ACADHN N[C@@H](CO)c1ccc2c(c1)OCC2 82871189 169245816 /nfs/dbraw/zinc/24/58/16/169245816.db2.gz OWCROUIRCNPKCQ-VIFPVBQESA-N 0 3 179.219 0.614 20 0 ACADHN N[C@@H](CO)c1ccc2c(c1)OCCO2 37987666 169245920 /nfs/dbraw/zinc/24/59/20/169245920.db2.gz ZNJZGKGERMMBKM-QMMMGPOBSA-N 0 3 195.218 0.450 20 0 ACADHN N[C@@H]1CCC(=O)N[C@@H]1c1ccccc1 1767138 169251335 /nfs/dbraw/zinc/25/13/35/169251335.db2.gz BKFJIBKJLGSOGY-MWLCHTKSSA-N 0 3 190.246 0.965 20 0 ACADHN N[C@@H]1CCCc2nc[nH]c21 82410742 169253139 /nfs/dbraw/zinc/25/31/39/169253139.db2.gz IUWQKKXSWXHIBQ-RXMQYKEDSA-N 0 3 137.186 0.746 20 0 ACADHN N[C@@H]1CCOc2ncccc21 20973028 169256163 /nfs/dbraw/zinc/25/61/63/169256163.db2.gz AISPYYSYCMREFI-SSDOTTSWSA-N 0 3 150.181 0.864 20 0 ACADHN N[C@@H]1CNC(=O)c2ccccc21 75545354 169256406 /nfs/dbraw/zinc/25/64/06/169256406.db2.gz XPRLKELCMYQPJW-MRVPVSSYSA-N 0 3 162.192 0.430 20 0 ACADHN N[C@@H]1COc2cccc(O)c2C1 82851291 169256933 /nfs/dbraw/zinc/25/69/33/169256933.db2.gz VPUUQIZZTQPFQV-LURJTMIESA-N 0 3 165.192 0.654 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)N1CCC2(CCC2)C1 334249297 169258088 /nfs/dbraw/zinc/25/80/88/169258088.db2.gz UPLYQFBMEBVWTA-DTWKUNHWSA-N 0 3 194.278 0.736 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)N1CCCCCC1 50456278 169258130 /nfs/dbraw/zinc/25/81/30/169258130.db2.gz FTUJWDRWEJPXNJ-DTWKUNHWSA-N 0 3 182.267 0.736 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)NCc1ccco1 50456176 169258193 /nfs/dbraw/zinc/25/81/93/169258193.db2.gz UQROSRHRWGFNCU-JGVFFNPUSA-N 0 3 180.207 0.243 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)NCC1CCCC1 50458446 169258202 /nfs/dbraw/zinc/25/82/02/169258202.db2.gz PWZCQTWXOYZXDI-DTWKUNHWSA-N 0 3 182.267 0.640 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)NCc1ccccn1 50456711 169258212 /nfs/dbraw/zinc/25/82/12/169258212.db2.gz IFDHXAPDRVCVEJ-DTWKUNHWSA-N 0 3 191.234 0.045 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)NC1CCCCC1 50456112 169258287 /nfs/dbraw/zinc/25/82/87/169258287.db2.gz UNMCOTJJJDEMHX-DTWKUNHWSA-N 0 3 182.267 0.783 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccncc1 50456316 169258314 /nfs/dbraw/zinc/25/83/14/169258314.db2.gz QRKFSGFSDLMPJT-JGVFFNPUSA-N 0 3 177.207 0.367 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)NCc1cccs1 50458291 169258410 /nfs/dbraw/zinc/25/84/10/169258410.db2.gz AMEYBYPRXXITKG-JGVFFNPUSA-N 0 3 196.275 0.712 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccccc1 50456119 169258443 /nfs/dbraw/zinc/25/84/43/169258443.db2.gz RGMSAJGPLVSWFY-DTWKUNHWSA-N 0 3 176.219 0.972 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)Nc1cccnc1 50456290 169258490 /nfs/dbraw/zinc/25/84/90/169258490.db2.gz WTILHEQMINWTKT-JGVFFNPUSA-N 0 3 177.207 0.367 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccccn1 50456253 169258513 /nfs/dbraw/zinc/25/85/13/169258513.db2.gz YPAHGUOEFZCVLY-NKWVEPMBSA-N 0 3 177.207 0.367 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)NCc1nccs1 50464595 169258528 /nfs/dbraw/zinc/25/85/28/169258528.db2.gz LADUTQZNXOIYCE-NTSWFWBYSA-N 0 3 197.263 0.107 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)N1CCCCC1 50456353 169258558 /nfs/dbraw/zinc/25/85/58/169258558.db2.gz LEFCBLQYPQSKJC-JGVFFNPUSA-N 0 3 168.240 0.346 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)cn1 335280429 169258612 /nfs/dbraw/zinc/25/86/12/169258612.db2.gz JUJVANCFQBFKON-NKWVEPMBSA-N 0 3 195.197 0.506 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)NCC1CCC1 50458417 169258747 /nfs/dbraw/zinc/25/87/47/169258747.db2.gz CMDZSWMUXQZKTB-JGVFFNPUSA-N 0 3 168.240 0.250 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)NCc1ccncc1 50457977 169258766 /nfs/dbraw/zinc/25/87/66/169258766.db2.gz MZJKETOAZSOMQI-DTWKUNHWSA-N 0 3 191.234 0.045 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)NC1CCCC1 50456211 169258782 /nfs/dbraw/zinc/25/87/82/169258782.db2.gz QQWGHQFLNSOGQA-JGVFFNPUSA-N 0 3 168.240 0.392 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)NCc1cccnc1 50457970 169258807 /nfs/dbraw/zinc/25/88/07/169258807.db2.gz XXENHRAUJDVTRH-DTWKUNHWSA-N 0 3 191.234 0.045 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)NCc1ccccc1 50457030 169258828 /nfs/dbraw/zinc/25/88/28/169258828.db2.gz ZFPYMRPECLVFGI-VHSXEESVSA-N 0 3 190.246 0.650 20 0 ACADHN [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccccc1[O-] 335282716 169258858 /nfs/dbraw/zinc/25/88/58/169258858.db2.gz RUOPECPJUPRXEF-NKWVEPMBSA-N 0 3 192.218 0.678 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)Nc1ccc(O)cc1 335283426 169258926 /nfs/dbraw/zinc/25/89/26/169258926.db2.gz HPEBDWAYGGSJMQ-DTWKUNHWSA-N 0 3 192.218 0.678 20 0 ACADHN N[C@@H]1Cc2c(O)cccc2[C@H]1O 68590467 169259288 /nfs/dbraw/zinc/25/92/88/169259288.db2.gz NCZWZYJTZSWFAY-VXNVDRBHSA-N 0 3 165.192 0.309 20 0 ACADHN N[C@@H]1Cc2c(O)cccc2[C@@H]1O 68590475 169259971 /nfs/dbraw/zinc/25/99/71/169259971.db2.gz NCZWZYJTZSWFAY-APPZFPTMSA-N 0 3 165.192 0.309 20 0 ACADHN N[C@H](C(=O)Nc1cn[nH]c1)C1CCC1 306616202 169261849 /nfs/dbraw/zinc/26/18/49/169261849.db2.gz PYEHSBVMIJBBAX-QMMMGPOBSA-N 0 3 194.238 0.476 20 0 ACADHN N[C@H](C(=O)NC1CC1)C1CCC1 306879701 169261879 /nfs/dbraw/zinc/26/18/79/169261879.db2.gz FCGBHAZJWSCDNI-QMMMGPOBSA-N 0 3 168.240 0.392 20 0 ACADHN N[C@H](C(=O)Nc1cc[nH]n1)C1CCC1 306773353 169262264 /nfs/dbraw/zinc/26/22/64/169262264.db2.gz AHUBCNKNEQLXIC-QMMMGPOBSA-N 0 3 194.238 0.476 20 0 ACADHN N[C@H](C(=O)NC1CCC1)C1CCC1 306960080 169262335 /nfs/dbraw/zinc/26/23/35/169262335.db2.gz BBADRMRNIZGWHR-VIFPVBQESA-N 0 3 182.267 0.783 20 0 ACADHN N[C@H](CF)[C@@H]1CC(F)(F)C[C@@H]1O 95831252 169265019 /nfs/dbraw/zinc/26/50/19/169265019.db2.gz BYEDCNZEFHJBSK-JKUQZMGJSA-N 0 3 183.173 0.689 20 0 ACADHN N[C@H](CF)[C@H]1CC(F)(F)C[C@H]1O 95831249 169265068 /nfs/dbraw/zinc/26/50/68/169265068.db2.gz BYEDCNZEFHJBSK-HSUXUTPPSA-N 0 3 183.173 0.689 20 0 ACADHN N[C@H](CF)[C@H]1CC(F)(F)C[C@@H]1O 95831251 169265185 /nfs/dbraw/zinc/26/51/85/169265185.db2.gz BYEDCNZEFHJBSK-PBXRRBTRSA-N 0 3 183.173 0.689 20 0 ACADHN N[C@H](CF)[C@@H]1CC(F)(F)C[C@H]1O 95831250 169265443 /nfs/dbraw/zinc/26/54/43/169265443.db2.gz BYEDCNZEFHJBSK-KVQBGUIXSA-N 0 3 183.173 0.689 20 0 ACADHN N[C@H](CCO)c1ccc[nH]1 82837941 169265763 /nfs/dbraw/zinc/26/57/63/169265763.db2.gz CNVKMNFJBYOHNY-ZCFIWIBFSA-N 0 3 140.186 0.397 20 0 ACADHN N[C@H](CO)c1ccc2c(c1)OCC2 82871188 169266170 /nfs/dbraw/zinc/26/61/70/169266170.db2.gz OWCROUIRCNPKCQ-SECBINFHSA-N 0 3 179.219 0.614 20 0 ACADHN N[C@H](CO)c1ccc2c(c1)OCCO2 37987665 169266181 /nfs/dbraw/zinc/26/61/81/169266181.db2.gz ZNJZGKGERMMBKM-MRVPVSSYSA-N 0 3 195.218 0.450 20 0 ACADHN N[C@H]1CCC(=O)N[C@@H]1c1ccccc1 1767135 169270743 /nfs/dbraw/zinc/27/07/43/169270743.db2.gz BKFJIBKJLGSOGY-GXSJLCMTSA-N 0 3 190.246 0.965 20 0 ACADHN N[C@H]1CCC(=O)N[C@H]1c1ccccc1 1767134 169270796 /nfs/dbraw/zinc/27/07/96/169270796.db2.gz BKFJIBKJLGSOGY-ONGXEEELSA-N 0 3 190.246 0.965 20 0 ACADHN N[C@H]1CCCc2nc[nH]c21 82410743 169273635 /nfs/dbraw/zinc/27/36/35/169273635.db2.gz IUWQKKXSWXHIBQ-YFKPBYRVSA-N 0 3 137.186 0.746 20 0 ACADHN N[C@H]1CCOc2ncccc21 20973033 169276188 /nfs/dbraw/zinc/27/61/88/169276188.db2.gz AISPYYSYCMREFI-ZETCQYMHSA-N 0 3 150.181 0.864 20 0 ACADHN N[C@H]1CNC(=O)c2ccccc21 75545356 169277555 /nfs/dbraw/zinc/27/75/55/169277555.db2.gz XPRLKELCMYQPJW-QMMMGPOBSA-N 0 3 162.192 0.430 20 0 ACADHN N[C@H]1Cc2c(O)cccc2[C@H]1O 68590463 169279423 /nfs/dbraw/zinc/27/94/23/169279423.db2.gz NCZWZYJTZSWFAY-IONNQARKSA-N 0 3 165.192 0.309 20 0 ACADHN N[C@H]1Cc2c(O)cccc2[C@@H]1O 68590468 169279440 /nfs/dbraw/zinc/27/94/40/169279440.db2.gz NCZWZYJTZSWFAY-CBAPKCEASA-N 0 3 165.192 0.309 20 0 ACADHN Nc1cc(CN2CC[C@H](O)C2)ccn1 61711633 169284901 /nfs/dbraw/zinc/28/49/01/169284901.db2.gz NFCZNWACZRGHBI-VIFPVBQESA-N 0 3 193.250 0.230 20 0 ACADHN Nc1cc(CN2CC[C@@H](O)C2)ccn1 61711634 169285360 /nfs/dbraw/zinc/28/53/60/169285360.db2.gz NFCZNWACZRGHBI-SECBINFHSA-N 0 3 193.250 0.230 20 0 ACADHN Nc1ccc2c(c1)CN(CCO)CC2 82789840 169294572 /nfs/dbraw/zinc/29/45/72/169294572.db2.gz OZLADJXIVNANRO-UHFFFAOYSA-N 0 3 192.262 0.619 20 0 ACADHN Nc1cccc2c1CN(CCO)CC2 82790053 169297446 /nfs/dbraw/zinc/29/74/46/169297446.db2.gz SNGRILKISKELDA-UHFFFAOYSA-N 0 3 192.262 0.619 20 0 ACADHN Nc1cccc2c1CCN(CCO)C2 38032811 169297688 /nfs/dbraw/zinc/29/76/88/169297688.db2.gz ZKUDDCBUKOCPEG-UHFFFAOYSA-N 0 3 192.262 0.619 20 0 ACADHN Nc1ccccc1NC(=O)[C@H]1C[C@H]1N 335506580 169298609 /nfs/dbraw/zinc/29/86/09/169298609.db2.gz BCEJDKJHCYFPIE-POYBYMJQSA-N 0 3 191.234 0.555 20 0 ACADHN Nc1cccnc1OC1CNC1 306748514 169299204 /nfs/dbraw/zinc/29/92/04/169299204.db2.gz LHFZIVOCWUGOAA-UHFFFAOYSA-N 0 3 165.196 0.014 20 0 ACADHN Nc1ccn(CCN2CCCCC2)n1 11920281 169299285 /nfs/dbraw/zinc/29/92/85/169299285.db2.gz DNXIBNFKICKPGH-UHFFFAOYSA-N 0 3 194.282 0.951 20 0 ACADHN Nc1ccnc(OC2CNC2)c1 307330187 169300598 /nfs/dbraw/zinc/30/05/98/169300598.db2.gz MZVISWHZOIJRLV-UHFFFAOYSA-N 0 3 165.196 0.014 20 0 ACADHN O=C(CC1CCC1)N1CCCNCC1 226134849 169316776 /nfs/dbraw/zinc/31/67/76/169316776.db2.gz BWQKEXFUPOGJQR-UHFFFAOYSA-N 0 3 196.294 0.999 20 0 ACADHN O=C(CC1CC1)N1CCCNCC1 49728567 169316905 /nfs/dbraw/zinc/31/69/05/169316905.db2.gz VEQPRILQRUIGBO-UHFFFAOYSA-N 0 3 182.267 0.608 20 0 ACADHN O=C(CCC1CC1)N1CCCNCC1 335623741 169318014 /nfs/dbraw/zinc/31/80/14/169318014.db2.gz IOKQCEHIJVWLOS-UHFFFAOYSA-N 0 3 196.294 0.999 20 0 ACADHN O=C(CNC1CCOCC1)NC1CC1 36304734 169319936 /nfs/dbraw/zinc/31/99/36/169319936.db2.gz HPYVBZQZUKHLER-UHFFFAOYSA-N 0 3 198.266 0.034 20 0 ACADHN O=C(CNC1CC1)Nc1cccnc1 37476887 169320162 /nfs/dbraw/zinc/32/01/62/169320162.db2.gz QNRWEYIXROQQKZ-UHFFFAOYSA-N 0 3 191.234 0.772 20 0 ACADHN O=C(CNCC1CC1)Nc1cc[nH]n1 42414827 169320300 /nfs/dbraw/zinc/32/03/00/169320300.db2.gz MXMHIMHSBBVABS-UHFFFAOYSA-N 0 3 194.238 0.348 20 0 ACADHN O=C(CNC1CC1)Nc1ccncc1 37476903 169320336 /nfs/dbraw/zinc/32/03/36/169320336.db2.gz IIUZRWMYNHJCEG-UHFFFAOYSA-N 0 3 191.234 0.772 20 0 ACADHN O=C(CNC1CC1)NCC1CC1 19385400 169320391 /nfs/dbraw/zinc/32/03/91/169320391.db2.gz DASSYOHYPUTYHX-UHFFFAOYSA-N 0 3 168.240 0.265 20 0 ACADHN O=C(CN1CCCCC1)N1CCC1 307260419 169320511 /nfs/dbraw/zinc/32/05/11/169320511.db2.gz MPBSHWKJHRKRDO-UHFFFAOYSA-N 0 3 182.267 0.705 20 0 ACADHN O=C(CNC1CC1)NCc1ccco1 37387024 169320519 /nfs/dbraw/zinc/32/05/19/169320519.db2.gz XLRBSGWWIGVWGE-UHFFFAOYSA-N 0 3 194.234 0.648 20 0 ACADHN O=C(CNC1CC1)NCC(F)(F)F 37386616 169320673 /nfs/dbraw/zinc/32/06/73/169320673.db2.gz GMWVCHBBMJRCQO-UHFFFAOYSA-N 0 3 196.172 0.417 20 0 ACADHN O=C(CNC1CC1)NC1CCOCC1 37477018 169320975 /nfs/dbraw/zinc/32/09/75/169320975.db2.gz SHJQPDSUZLHCEX-UHFFFAOYSA-N 0 3 198.266 0.034 20 0 ACADHN O=C(CNC1CC1)Nc1cc[nH]n1 42414823 169321014 /nfs/dbraw/zinc/32/10/14/169321014.db2.gz PSIYCQNOEVFLHC-UHFFFAOYSA-N 0 3 180.211 0.100 20 0 ACADHN O=C(CNC1CC1)Nc1nccs1 37395023 169321027 /nfs/dbraw/zinc/32/10/27/169321027.db2.gz XONRDJSREUKBJY-UHFFFAOYSA-N 0 3 197.263 0.834 20 0 ACADHN O=C(CNC1CC1)Nc1ccccn1 37476886 169321039 /nfs/dbraw/zinc/32/10/39/169321039.db2.gz 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FVMLZXROLJMPOL-UHFFFAOYSA-N 0 3 185.173 0.756 20 0 ACADHN Cc1ccccc1CNC(CO)CO 83690070 171131139 /nfs/dbraw/zinc/13/11/39/171131139.db2.gz ZJPKXCRNOWCLJS-UHFFFAOYSA-N 0 3 195.262 0.438 20 0 ACADHN Cc1ccccc1C1(O)CNC1 84329978 171131394 /nfs/dbraw/zinc/13/13/94/171131394.db2.gz WVBOTKUTFXJJBW-UHFFFAOYSA-N 0 3 163.220 0.786 20 0 in-vitro ACADHN CC1(C)COC[C@H](N)O1 91691925 171134290 /nfs/dbraw/zinc/13/42/90/171134290.db2.gz JZFVOVDZNKPQBG-RXMQYKEDSA-N 0 3 131.175 0.097 20 0 ACADHN CC1(C)COC[C@@H](N)O1 91691926 171134535 /nfs/dbraw/zinc/13/45/35/171134535.db2.gz JZFVOVDZNKPQBG-YFKPBYRVSA-N 0 3 131.175 0.097 20 0 ACADHN NC1(c2ccccc2)CNC1 91691776 171134707 /nfs/dbraw/zinc/13/47/07/171134707.db2.gz GCZVXMPQTCSBJC-UHFFFAOYSA-N 0 3 148.209 0.444 20 0 ACADHN c1[nH]nc2c1CNCC21CC1 95803119 171139702 /nfs/dbraw/zinc/13/97/02/171139702.db2.gz PIFABQFUPKYOKF-UHFFFAOYSA-N 0 3 149.197 0.545 20 0 ACADHN CN1CCC(c2nnc(CN)o2)CC1 95828876 171140012 /nfs/dbraw/zinc/14/00/12/171140012.db2.gz PXGCGIHSWLJYTG-UHFFFAOYSA-N 0 3 196.254 0.338 20 0 ACADHN OC[C@@H]1C[C@@H]2Cc3nc[nH]c3CN2C1 95828934 171140073 /nfs/dbraw/zinc/14/00/73/171140073.db2.gz ZAKSQWAXKDRTHI-HTQZYQBOSA-N 0 3 193.250 0.149 20 0 ACADHN c1c[nH]c(CNC[C@H]2CCCOC2)n1 49715618 171154000 /nfs/dbraw/zinc/15/40/00/171154000.db2.gz QGFDZTPXXBJDAC-SECBINFHSA-N 0 3 195.266 0.926 20 0 ACADHN c1c[nH]c(CNCCN2CCCC2)n1 49714664 171154166 /nfs/dbraw/zinc/15/41/66/171154166.db2.gz KEGFWHAVYNFUFY-UHFFFAOYSA-N 0 3 194.282 0.595 20 0 ACADHN c1c[nH]c(CNC[C@@H]2CCCOC2)n1 49715617 171154184 /nfs/dbraw/zinc/15/41/84/171154184.db2.gz QGFDZTPXXBJDAC-VIFPVBQESA-N 0 3 195.266 0.926 20 0 ACADHN c1c[nH]c(CNC[C@H]2CCOC2)n1 49715491 171154311 /nfs/dbraw/zinc/15/43/11/171154311.db2.gz GSOBIKPVIHIRCQ-MRVPVSSYSA-N 0 3 181.239 0.536 20 0 ACADHN c1c[nH]c(CNC[C@@H]2CCOC2)n1 49715490 171154342 /nfs/dbraw/zinc/15/43/42/171154342.db2.gz GSOBIKPVIHIRCQ-QMMMGPOBSA-N 0 3 181.239 0.536 20 0 ACADHN C[C@H]1CC[C@@H](C)N1C(=O)CN 306424252 171158098 /nfs/dbraw/zinc/15/80/98/171158098.db2.gz GBUGFCUJAFLHNT-KNVOCYPGSA-N 0 3 156.229 0.345 20 0 ACADHN C[C@H]1CC[C@@H](C)N1CC(=O)N(C)C 306424555 171158319 /nfs/dbraw/zinc/15/83/19/171158319.db2.gz ILMRCDVFAQGTGY-DTORHVGOSA-N 0 3 184.283 0.947 20 0 ACADHN CC[C@@H]1CCN(CC(=O)NC)C1 306692836 171158486 /nfs/dbraw/zinc/15/84/86/171158486.db2.gz QGSQURFXZDVUBZ-MRVPVSSYSA-N 0 3 170.256 0.464 20 0 ACADHN NC1(C(=O)N2CCCC2)CCCC1 37479331 171165373 /nfs/dbraw/zinc/16/53/73/171165373.db2.gz SFADJFSSQSQTOS-UHFFFAOYSA-N 0 3 182.267 0.880 20 0 ACADHN NC1(C(=O)Nc2cn[nH]c2)CCCC1 37479499 171165477 /nfs/dbraw/zinc/16/54/77/171165477.db2.gz ZKHWHAGQGVPLPJ-UHFFFAOYSA-N 0 3 194.238 0.620 20 0 ACADHN CC[C@@H]1CCN(CC(=O)N(C)C)C1 308328712 171166666 /nfs/dbraw/zinc/16/66/66/171166666.db2.gz HMPSRFAEURTTJE-SECBINFHSA-N 0 3 184.283 0.807 20 0 ACADHN C[C@@H]1OC2(CCN(C)CC2)CC1=O 13741155 171166882 /nfs/dbraw/zinc/16/68/82/171166882.db2.gz OODDNJQTVFMGCF-QMMMGPOBSA-N 0 3 183.251 0.829 20 0 in-vivo ACADHN CC1(C)COCCN1C[C@H]1C[C@@H](O)C1 335377017 171167703 /nfs/dbraw/zinc/16/77/03/171167703.db2.gz GFKYHJJXJBXWGR-AOOOYVTPSA-N 0 3 199.294 0.868 20 0 ACADHN CC(C)N(C)C(=O)CNC1CC1 19817266 171168552 /nfs/dbraw/zinc/16/85/52/171168552.db2.gz XMFVEYGAQCNOHM-UHFFFAOYSA-N 0 3 170.256 0.605 20 0 ACADHN CN1CCC(NC(=O)C2(C)CC2)CC1 336361201 171169959 /nfs/dbraw/zinc/16/99/59/171169959.db2.gz QGXNMPVRXBGENI-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN Oc1cccc(CN2CC[C@@H](O)C2)c1 38538856 171174599 /nfs/dbraw/zinc/17/45/99/171174599.db2.gz LSXAIGUSBNVYEG-LLVKDONJSA-N 0 3 193.246 0.959 20 0 ACADHN Oc1ccc(CN2CC[C@H](O)C2)cc1 38538963 171174642 /nfs/dbraw/zinc/17/46/42/171174642.db2.gz YQWOCNFFVVEFCV-NSHDSACASA-N 0 3 193.246 0.959 20 0 ACADHN Oc1cccc(CN2CC[C@H](O)C2)c1 38538854 171174794 /nfs/dbraw/zinc/17/47/94/171174794.db2.gz LSXAIGUSBNVYEG-NSHDSACASA-N 0 3 193.246 0.959 20 0 ACADHN CN(C)c1ncc(CNC2CC2)cn1 54856219 171174798 /nfs/dbraw/zinc/17/47/98/171174798.db2.gz WNBASSNBWZDOKL-UHFFFAOYSA-N 0 3 192.266 0.795 20 0 ACADHN Oc1ccc(CN2CC[C@@H](O)C2)cc1 38538965 171175045 /nfs/dbraw/zinc/17/50/45/171175045.db2.gz YQWOCNFFVVEFCV-LLVKDONJSA-N 0 3 193.246 0.959 20 0 ACADHN CN(C)C(=O)C1CCN(C2CC2)CC1 334685220 171177134 /nfs/dbraw/zinc/17/71/34/171177134.db2.gz RPORKPPDKHZZNC-UHFFFAOYSA-N 0 3 196.294 0.949 20 0 ACADHN CC(C)(O)C1CN(CC2(O)CCC2)C1 334772582 171177191 /nfs/dbraw/zinc/17/71/91/171177191.db2.gz WEIKINFXHIOFOK-UHFFFAOYSA-N 0 3 199.294 0.604 20 0 ACADHN CCC1(C(=O)N2CCCNCC2)CC1 307080759 171178142 /nfs/dbraw/zinc/17/81/42/171178142.db2.gz OPIMBLUAYMONPD-UHFFFAOYSA-N 0 3 196.294 0.999 20 0 ACADHN NCC(=O)N1CCC2(CCC2)C1 307204226 171178227 /nfs/dbraw/zinc/17/82/27/171178227.db2.gz GCJYAMDKCBUGFA-UHFFFAOYSA-N 0 3 168.240 0.348 20 0 ACADHN CC(C)N(C(=O)CN)C1CC1 307697234 171179535 /nfs/dbraw/zinc/17/95/35/171179535.db2.gz GCYLPMLTJVVDLR-UHFFFAOYSA-N 0 3 156.229 0.345 20 0 ACADHN NCC(=O)N[C@@H]1CC12CCCCC2 307619108 171179625 /nfs/dbraw/zinc/17/96/25/171179625.db2.gz WDYFBFZUIHKLGH-MRVPVSSYSA-N 0 3 182.267 0.784 20 0 ACADHN NCC(=O)N1CCC[C@@H]1C1CCC1 307468187 171179704 /nfs/dbraw/zinc/17/97/04/171179704.db2.gz LUDBUROOUPRYBP-SECBINFHSA-N 0 3 182.267 0.736 20 0 ACADHN NCC(=O)N1CCC[C@H]1C1CCC1 307468188 171179768 /nfs/dbraw/zinc/17/97/68/171179768.db2.gz LUDBUROOUPRYBP-VIFPVBQESA-N 0 3 182.267 0.736 20 0 ACADHN NCC(=O)N[C@H]1CC12CCCCC2 307619109 171179793 /nfs/dbraw/zinc/17/97/93/171179793.db2.gz WDYFBFZUIHKLGH-QMMMGPOBSA-N 0 3 182.267 0.784 20 0 ACADHN CC(C)N(C(=O)CN)C1CCC1 308405297 171185985 /nfs/dbraw/zinc/18/59/85/171185985.db2.gz LHGOSHBZOBXSOB-UHFFFAOYSA-N 0 3 170.256 0.735 20 0 ACADHN CC(C)N(C(=O)[C@H](C)N)C1CC1 308408877 171186005 /nfs/dbraw/zinc/18/60/05/171186005.db2.gz NIQPDMXNMBMNJZ-ZETCQYMHSA-N 0 3 170.256 0.733 20 0 ACADHN NCC1(Br)CC1 238612944 171186751 /nfs/dbraw/zinc/18/67/51/171186751.db2.gz GVHUQXUEDCFNFO-UHFFFAOYSA-N 0 3 150.019 0.873 20 0 ACADHN COC(=O)[C@@H]1CCN([C@H]2CCOC2)C1 250431281 171187588 /nfs/dbraw/zinc/18/75/88/171187588.db2.gz SDWOXMGLEXQRRK-BDAKNGLRSA-N 0 3 199.250 0.270 20 0 ACADHN CC[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 336510500 171188117 /nfs/dbraw/zinc/18/81/17/171188117.db2.gz CKYMAYMXAJTHKE-ZJUUUORDSA-N 0 3 196.294 0.949 20 0 ACADHN CC[C@@H]1CCN([C@@H]2CCN(C)C2=O)C1 336510494 171188191 /nfs/dbraw/zinc/18/81/91/171188191.db2.gz CKYMAYMXAJTHKE-NXEZZACHSA-N 0 3 196.294 0.949 20 0 ACADHN CN1CCC(NC(=O)N2CCC2)CC1 334397023 171191698 /nfs/dbraw/zinc/19/16/98/171191698.db2.gz CRJVTBUYVUSIEA-UHFFFAOYSA-N 0 3 197.282 0.496 20 0 ACADHN COC(=O)[C@H]1CCN([C@H]2CCOC2)C1 250431282 171194739 /nfs/dbraw/zinc/19/47/39/171194739.db2.gz SDWOXMGLEXQRRK-IUCAKERBSA-N 0 3 199.250 0.270 20 0 ACADHN CC[C@@H]1CCN([C@H](C)C(N)=O)C1 252740121 171194932 /nfs/dbraw/zinc/19/49/32/171194932.db2.gz GKTASJHPHGMRGX-HTQZYQBOSA-N 0 3 170.256 0.592 20 0 ACADHN CN1CCC[C@@H](N(C)C(=O)C2CC2)C1 81561294 171197008 /nfs/dbraw/zinc/19/70/08/171197008.db2.gz SXOMOUFCCINCKQ-SNVBAGLBSA-N 0 3 196.294 0.949 20 0 ACADHN Cn1nccc1CCN1CC[C@@H](O)C1 230886645 171197594 /nfs/dbraw/zinc/19/75/94/171197594.db2.gz IQSXZIGQVJQGFG-SNVBAGLBSA-N 0 3 195.266 0.029 20 0 ACADHN Cn1nccc1CCN1CC[C@H](O)C1 230886651 171197655 /nfs/dbraw/zinc/19/76/55/171197655.db2.gz IQSXZIGQVJQGFG-JTQLQIEISA-N 0 3 195.266 0.029 20 0 ACADHN COc1ccccc1NC(=O)[C@H](C)N 11957703 171200284 /nfs/dbraw/zinc/20/02/84/171200284.db2.gz KUABJAZTUVVBIR-ZETCQYMHSA-N 0 3 194.234 0.981 20 0 ACADHN CN1CCC(N(C)C(=O)C2CC2)CC1 33019496 171200640 /nfs/dbraw/zinc/20/06/40/171200640.db2.gz FHXMXEPVYPQXDI-UHFFFAOYSA-N 0 3 196.294 0.949 20 0 ACADHN NCC(=O)N[C@@H]1C[C@H]1C1CCC1 335030198 171200743 /nfs/dbraw/zinc/20/07/43/171200743.db2.gz PVUUWDOLAWHPQV-JGVFFNPUSA-N 0 3 168.240 0.250 20 0 ACADHN CN1CCC(N(C)C(=O)N(C)C)CC1 33587049 171201654 /nfs/dbraw/zinc/20/16/54/171201654.db2.gz WJPFNITUJOCLIC-UHFFFAOYSA-N 0 3 199.298 0.694 20 0 ACADHN CC(C)N(C(=O)[C@@H]1C[C@@H]1N)C1CC1 335289794 171202221 /nfs/dbraw/zinc/20/22/21/171202221.db2.gz QIRVQAVOHPGPAF-BDAKNGLRSA-N 0 3 182.267 0.733 20 0 ACADHN CC1(C(N)=O)CN(C[C@H]2C[C@@H](O)C2)C1 335393906 171202658 /nfs/dbraw/zinc/20/26/58/171202658.db2.gz DUCSUKIUQZQUFJ-OCAPTIKFSA-N 0 3 198.266 0.614 20 0 ACADHN NCC(=O)N[C@@H]1CCC[C@H](F)C1 335588779 171203540 /nfs/dbraw/zinc/20/35/40/171203540.db2.gz BKMMSXGXXAAVFS-NKWVEPMBSA-N 0 3 174.219 0.342 20 0 ACADHN NCC(=O)Nc1ccccc1O 34121669 171203656 /nfs/dbraw/zinc/20/36/56/171203656.db2.gz JRSYJYSRJWXZKE-UHFFFAOYSA-N 0 3 166.180 0.289 20 0 ACADHN NCC(=O)N[C@H]1CCC[C@H](F)C1 335588757 171203738 /nfs/dbraw/zinc/20/37/38/171203738.db2.gz BKMMSXGXXAAVFS-BQBZGAKWSA-N 0 3 174.219 0.342 20 0 ACADHN NCC(=O)N[C@H]1CCC[C@@H](F)C1 335588782 171203800 /nfs/dbraw/zinc/20/38/00/171203800.db2.gz BKMMSXGXXAAVFS-RQJHMYQMSA-N 0 3 174.219 0.342 20 0 ACADHN NCC(=O)N[C@@H]1C=CCCC1 335534354 171204015 /nfs/dbraw/zinc/20/40/15/171204015.db2.gz UVWNIQWYJQVQHT-SSDOTTSWSA-N 0 3 154.213 0.170 20 0 ACADHN CO[C@@H](C)CN1CCN(C)C[C@H]1C 335516557 171204022 /nfs/dbraw/zinc/20/40/22/171204022.db2.gz PNYCWXKPUWPECA-ZJUUUORDSA-N 0 3 186.299 0.657 20 0 ACADHN NCC(=O)N[C@@H]1CCC[C@@H](F)C1 335588781 171204036 /nfs/dbraw/zinc/20/40/36/171204036.db2.gz BKMMSXGXXAAVFS-RNFRBKRXSA-N 0 3 174.219 0.342 20 0 ACADHN NCC(=O)N[C@H]1C=CCCC1 335534357 171204181 /nfs/dbraw/zinc/20/41/81/171204181.db2.gz UVWNIQWYJQVQHT-ZETCQYMHSA-N 0 3 154.213 0.170 20 0 ACADHN CO[C@@H](C)CN1CCN(C)C[C@@H]1C 335516553 171204272 /nfs/dbraw/zinc/20/42/72/171204272.db2.gz PNYCWXKPUWPECA-UWVGGRQHSA-N 0 3 186.299 0.657 20 0 ACADHN CC(C)N(C(=O)[C@@H](C)N)C1CC1 335799730 171206258 /nfs/dbraw/zinc/20/62/58/171206258.db2.gz NIQPDMXNMBMNJZ-SSDOTTSWSA-N 0 3 170.256 0.733 20 0 ACADHN CC[C@@H]1CCN(CC(=O)N2CCC2)C1 335794528 171206317 /nfs/dbraw/zinc/20/63/17/171206317.db2.gz GXFMMYYSOMPLET-SNVBAGLBSA-N 0 3 196.294 0.951 20 0 ACADHN OC[C@@H]1CSCCN1CC1CC1 336325278 171209212 /nfs/dbraw/zinc/20/92/12/171209212.db2.gz ZXWLBLHXGACUGU-SECBINFHSA-N 0 3 187.308 0.806 20 0 ACADHN OC[C@H]1CSCCN1CC1CC1 336325279 171209949 /nfs/dbraw/zinc/20/99/49/171209949.db2.gz ZXWLBLHXGACUGU-VIFPVBQESA-N 0 3 187.308 0.806 20 0 ACADHN CN1CCCC(C)(C)[C@@H]1CNC(N)=O 336625882 171211194 /nfs/dbraw/zinc/21/11/94/171211194.db2.gz XJSMTCUPEHYFPC-QMMMGPOBSA-N 0 3 199.298 0.775 20 0 ACADHN CN1CCCC(C)(C)[C@H]1CNC(N)=O 336625881 171211401 /nfs/dbraw/zinc/21/14/01/171211401.db2.gz XJSMTCUPEHYFPC-MRVPVSSYSA-N 0 3 199.298 0.775 20 0 ACADHN CC[C@@H]1CCC[C@H]1NC(=O)CN 307014678 171215688 /nfs/dbraw/zinc/21/56/88/171215688.db2.gz MZPQHEVRUIZROT-HTQZYQBOSA-N 0 3 170.256 0.640 20 0 ACADHN NCC(=O)N[C@H]1CCc2ccccc21 36878673 171216304 /nfs/dbraw/zinc/21/63/04/171216304.db2.gz BKAZIFPIBFUJFU-JTQLQIEISA-N 0 3 190.246 0.749 20 0 ACADHN NCC(=O)N[C@@H]1CCc2ccccc21 36878674 171216463 /nfs/dbraw/zinc/21/64/63/171216463.db2.gz BKAZIFPIBFUJFU-SNVBAGLBSA-N 0 3 190.246 0.749 20 0 ACADHN CN1CCC(NCc2cc[nH]n2)CC1 36900331 171216770 /nfs/dbraw/zinc/21/67/70/171216770.db2.gz UJZNYNMWPKYHQO-UHFFFAOYSA-N 0 3 194.282 0.594 20 0 ACADHN Cc1ccccc1CNC(=O)[C@@H](C)N 37491243 171217097 /nfs/dbraw/zinc/21/70/97/171217097.db2.gz QFWLRMOBYLVBGN-SECBINFHSA-N 0 3 192.262 0.958 20 0 ACADHN CN1CCC[C@@H](N(C)C(=O)N(C)C)C1 126103204 171217628 /nfs/dbraw/zinc/21/76/28/171217628.db2.gz MDHFOSCSQOBYLR-SECBINFHSA-N 0 3 199.298 0.694 20 0 ACADHN CC(C)N(C)C(=O)CN1CCCC1 335555747 171217713 /nfs/dbraw/zinc/21/77/13/171217713.db2.gz QKYQFJWWAAPLOY-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN CC(C)N(C(=O)CN)C(C)C 45919646 171218349 /nfs/dbraw/zinc/21/83/49/171218349.db2.gz HKAUDMQLCMYFTL-UHFFFAOYSA-N 0 3 158.245 0.591 20 0 ACADHN c1cncc(CN[C@@H]2CCOC2)c1 70964765 171219145 /nfs/dbraw/zinc/21/91/45/171219145.db2.gz ZWVCWRARXSHTQJ-SNVBAGLBSA-N 0 3 178.235 0.960 20 0 ACADHN c1cncc(CN[C@H]2CCOC2)c1 70964767 171219317 /nfs/dbraw/zinc/21/93/17/171219317.db2.gz ZWVCWRARXSHTQJ-JTQLQIEISA-N 0 3 178.235 0.960 20 0 ACADHN CN(C)CCNc1cc(F)ncn1 149955933 344074279 /nfs/dbraw/zinc/07/42/79/344074279.db2.gz TYQFCXKEJPCFOQ-UHFFFAOYSA-N 0 3 184.218 0.589 20 0 ACADHN C[C@@H](O)CN(C)[C@H]1CCOC1 156564354 344091042 /nfs/dbraw/zinc/09/10/42/344091042.db2.gz ZDCQETWFVVCJBL-SFYZADRCSA-N 0 3 159.229 0.088 20 0 ACADHN OCCNCc1ccc2[nH]cnc2c1 157205238 344101691 /nfs/dbraw/zinc/10/16/91/344101691.db2.gz CAAHFMOEESMDBM-UHFFFAOYSA-N 0 3 191.234 0.645 20 0 ACADHN NCC(=O)NCC1CCSCC1 157563758 344109520 /nfs/dbraw/zinc/10/95/20/344109520.db2.gz KDXARDRMHWEPGM-UHFFFAOYSA-N 0 3 188.296 0.205 20 0 ACADHN CC[C@@H](N)C(=O)NC1(C)CC1 157642820 344111470 /nfs/dbraw/zinc/11/14/70/344111470.db2.gz MIXYGUXTWYPCEW-ZCFIWIBFSA-N 0 3 156.229 0.392 20 0 ACADHN CC[C@H](N)C(=O)NC1(C)CC1 157642691 344111477 /nfs/dbraw/zinc/11/14/77/344111477.db2.gz MIXYGUXTWYPCEW-LURJTMIESA-N 0 3 156.229 0.392 20 0 ACADHN CC1CC(NC(=O)[C@@H](C)N)C1 157663697 344111496 /nfs/dbraw/zinc/11/14/96/344111496.db2.gz SXABFCSDAJZGDO-YURFNIAASA-N 0 3 156.229 0.248 20 0 ACADHN C[C@@H]1C[C@@H](C)N(C(=O)CN)C1 157746282 344113192 /nfs/dbraw/zinc/11/31/92/344113192.db2.gz AZEHLAMRSYGTIL-RNFRBKRXSA-N 0 3 156.229 0.202 20 0 ACADHN C[C@H]1C[C@@H](C)N(C(=O)[C@H](C)N)C1 157745797 344113207 /nfs/dbraw/zinc/11/32/07/344113207.db2.gz SBPZBYZMXYDNKE-RNJXMRFFSA-N 0 3 170.256 0.591 20 0 ACADHN CNCC(=O)NC1CC(C)C1 158252805 344122758 /nfs/dbraw/zinc/12/27/58/344122758.db2.gz NGCZJOLINGXMCN-UHFFFAOYSA-N 0 3 156.229 0.121 20 0 ACADHN C[C@H](O)CN1CCO[C@@H]2CCC[C@@H]21 158493583 344127520 /nfs/dbraw/zinc/12/75/20/344127520.db2.gz UDSJZAHCYTYSOQ-LPEHRKFASA-N 0 3 185.267 0.621 20 0 ACADHN CC[C@H]1CCN(C(=O)C2(N)CC2)C1 158486043 344127528 /nfs/dbraw/zinc/12/75/28/344127528.db2.gz CQTGOPQMFLLLDX-QMMMGPOBSA-N 0 3 182.267 0.736 20 0 ACADHN CC[C@@H]1CCN(C(=O)C2(N)CC2)C1 158485889 344127530 /nfs/dbraw/zinc/12/75/30/344127530.db2.gz CQTGOPQMFLLLDX-MRVPVSSYSA-N 0 3 182.267 0.736 20 0 ACADHN C[C@@H](O)CN1CCO[C@@H]2CCC[C@@H]21 158493365 344127537 /nfs/dbraw/zinc/12/75/37/344127537.db2.gz UDSJZAHCYTYSOQ-KXUCPTDWSA-N 0 3 185.267 0.621 20 0 ACADHN CC1(C)[C@@H](O)C[C@@H]1NCc1cn[nH]c1 159554027 344148058 /nfs/dbraw/zinc/14/80/58/344148058.db2.gz IWSTZYROVDQKNW-IUCAKERBSA-N 0 3 195.266 0.659 20 0 ACADHN Cc1n[nH]cc1CN[C@]1(C)CCOC1 160188347 344159187 /nfs/dbraw/zinc/15/91/87/344159187.db2.gz PECNTVUIENDAIR-SNVBAGLBSA-N 0 3 195.266 0.987 20 0 ACADHN Cn1cc(CN[C@]2(C)CCOC2)cn1 160187489 344159211 /nfs/dbraw/zinc/15/92/11/344159211.db2.gz DFYKKHKHEFCEIZ-SNVBAGLBSA-N 0 3 195.266 0.689 20 0 ACADHN Cn1nccc1CN[C@]1(C)CCOC1 160193883 344159673 /nfs/dbraw/zinc/15/96/73/344159673.db2.gz XOLWKIIFNJSGDN-SNVBAGLBSA-N 0 3 195.266 0.689 20 0 ACADHN Cn1cncc1CN[C@@]1(C)CCOC1 160197734 344159698 /nfs/dbraw/zinc/15/96/98/344159698.db2.gz ILIPVBJQLDFCGF-JTQLQIEISA-N 0 3 195.266 0.689 20 0 ACADHN CN1C(=O)C[C@@H](N)[C@H]1c1nccs1 161692204 344196092 /nfs/dbraw/zinc/19/60/92/344196092.db2.gz UUSXWBJXIHGAQT-VDTYLAMSSA-N 0 3 197.263 0.374 20 0 ACADHN Cc1cc(CNC[C@@H](C)CO)on1 161868337 344200072 /nfs/dbraw/zinc/20/00/72/344200072.db2.gz RBSPVLKABGAZLD-SSDOTTSWSA-N 0 3 184.239 0.701 20 0 ACADHN C[C@H]1CCN(C(=O)C2(N)CC2)C[C@@H]1C 163306371 344222157 /nfs/dbraw/zinc/22/21/57/344222157.db2.gz QMRIDZFWHWOEBB-IUCAKERBSA-N 0 3 196.294 0.982 20 0 ACADHN COC(=O)CCN(C)C[C@H](C)OC 164053191 344235716 /nfs/dbraw/zinc/23/57/16/344235716.db2.gz XTFNBQMTQKBXCC-QMMMGPOBSA-N 0 3 189.255 0.516 20 0 ACADHN CC[C@@](C)(N)C(=O)N1CCCCO1 164296514 344240895 /nfs/dbraw/zinc/24/08/95/344240895.db2.gz YZXLNRSBMLXICQ-SECBINFHSA-N 0 3 186.255 0.668 20 0 ACADHN CNC(=O)NCC1(N(C)C)CCC1 164958663 344255525 /nfs/dbraw/zinc/25/55/25/344255525.db2.gz KTWLYFLMOTWWBB-UHFFFAOYSA-N 0 3 185.271 0.400 20 0 ACADHN CN(C)C(=O)NCC1(N(C)C)CCC1 165191725 344259557 /nfs/dbraw/zinc/25/95/57/344259557.db2.gz APPUMUZXIDRXSD-UHFFFAOYSA-N 0 3 199.298 0.742 20 0 ACADHN CCCNC(=O)[C@H]1C[C@@H](C)CCN1 167363978 344303470 /nfs/dbraw/zinc/30/34/70/344303470.db2.gz HCKOIHOARPVARV-DTWKUNHWSA-N 0 3 184.283 0.901 20 0 ACADHN CC(C)NC(=O)[C@@H]1C[C@@H](C)CCN1 167366328 344303475 /nfs/dbraw/zinc/30/34/75/344303475.db2.gz SZYNJBWCIHVNLB-IUCAKERBSA-N 0 3 184.283 0.899 20 0 ACADHN C[C@H]1CCN[C@@H](C(=O)NC2CC2)C1 167368757 344303550 /nfs/dbraw/zinc/30/35/50/344303550.db2.gz PDOZSMQYQTWOLD-IONNQARKSA-N 0 3 182.267 0.653 20 0 ACADHN C[C@H]1CCN[C@H](C(=O)N2CCCC2)C1 167362506 344303569 /nfs/dbraw/zinc/30/35/69/344303569.db2.gz SCAPCKCSJJIHRS-UWVGGRQHSA-N 0 3 196.294 0.997 20 0 ACADHN CCCNC(=O)[C@@H]1C[C@H](C)CCN1 167363672 344303601 /nfs/dbraw/zinc/30/36/01/344303601.db2.gz HCKOIHOARPVARV-BDAKNGLRSA-N 0 3 184.283 0.901 20 0 ACADHN CON(C)C(=O)[C@H]1C[C@H](C)CCN1 167422134 344304862 /nfs/dbraw/zinc/30/48/62/344304862.db2.gz FYKCDYBPWFOPCI-HTQZYQBOSA-N 0 3 186.255 0.394 20 0 ACADHN CC[C@](C)(O)CN1CCN(C)CC1 202719062 344367227 /nfs/dbraw/zinc/36/72/27/344367227.db2.gz MDQMBBKVASLESK-JTQLQIEISA-N 0 3 186.299 0.395 20 0 ACADHN NC(=O)CN1CC[C@@H]2CCC[C@H]21 202717815 344367233 /nfs/dbraw/zinc/36/72/33/344367233.db2.gz LZUVCAAQASMDMD-JGVFFNPUSA-N 0 3 168.240 0.346 20 0 ACADHN NC(=O)CN1CC[C@H]2CCC[C@H]21 202717799 344367242 /nfs/dbraw/zinc/36/72/42/344367242.db2.gz LZUVCAAQASMDMD-HTQZYQBOSA-N 0 3 168.240 0.346 20 0 ACADHN CCC(=O)N[C@H]1CCN(CC)C1 202653517 344367281 /nfs/dbraw/zinc/36/72/81/344367281.db2.gz MEMZFADUOGDZPD-QMMMGPOBSA-N 0 3 170.256 0.607 20 0 ACADHN CCN(C)C(=O)[C@H]1CCCN1C 201984508 344366203 /nfs/dbraw/zinc/36/62/03/344366203.db2.gz NGWVOFOCOHAJOJ-MRVPVSSYSA-N 0 3 170.256 0.559 20 0 ACADHN CC[C@@](C)(O)CN1CCN(C)CC1 202719083 344367199 /nfs/dbraw/zinc/36/71/99/344367199.db2.gz MDQMBBKVASLESK-SNVBAGLBSA-N 0 3 186.299 0.395 20 0 ACADHN CCC(=O)N[C@@H]1CCN(CC)C1 202653497 344367211 /nfs/dbraw/zinc/36/72/11/344367211.db2.gz MEMZFADUOGDZPD-MRVPVSSYSA-N 0 3 170.256 0.607 20 0 ACADHN COc1cc(CN)ncc1F 211990763 344379574 /nfs/dbraw/zinc/37/95/74/344379574.db2.gz QNJLQGBQCZBIGR-UHFFFAOYSA-N 0 3 156.160 0.688 20 0 ACADHN COCc1nc(CN)c2ccccn12 213361188 344381139 /nfs/dbraw/zinc/38/11/39/344381139.db2.gz YPVSKZATNXQGLO-UHFFFAOYSA-N 0 3 191.234 0.939 20 0 ACADHN C[C@H]1NCCN(C(=O)C2CCC2)[C@@H]1C 219559626 344425117 /nfs/dbraw/zinc/42/51/17/344425117.db2.gz QBDYROYQKFUFPV-RKDXNWHRSA-N 0 3 196.294 0.995 20 0 ACADHN COC(=O)[C@@H]1CNCCC1(F)F 220228842 344430924 /nfs/dbraw/zinc/43/09/24/344430924.db2.gz LPRWJEGSQNZNAH-YFKPBYRVSA-N 0 3 179.166 0.404 20 0 ACADHN CN1CCC[C@@H]1CNC(=O)NC1CC1 221170892 344439142 /nfs/dbraw/zinc/43/91/42/344439142.db2.gz ZXHFMXYYHICXNW-SECBINFHSA-N 0 3 197.282 0.542 20 0 ACADHN O=C(CN1CCCC1)N1CCC1 221692138 344445071 /nfs/dbraw/zinc/44/50/71/344445071.db2.gz GTMNVNZICKBDGZ-UHFFFAOYSA-N 0 3 168.240 0.315 20 0 ACADHN COC(=O)[C@H]1CNCCC1(F)F 220228922 344431635 /nfs/dbraw/zinc/43/16/35/344431635.db2.gz LPRWJEGSQNZNAH-RXMQYKEDSA-N 0 3 179.166 0.404 20 0 ACADHN C[C@@H]1CCC[C@H](CNC(=O)CN)C1 225396161 344481218 /nfs/dbraw/zinc/48/12/18/344481218.db2.gz VZLBBLJHCOYZFS-BDAKNGLRSA-N 0 3 184.283 0.888 20 0 ACADHN CC(C)(N)C(=O)NC[C@@H]1CC1(C)C 225468823 344481648 /nfs/dbraw/zinc/48/16/48/344481648.db2.gz GJCNYMNVFGMUSZ-ZETCQYMHSA-N 0 3 184.283 0.886 20 0 ACADHN CC1(CNC(=O)C(C)(C)N)CC1 225526657 344483247 /nfs/dbraw/zinc/48/32/47/344483247.db2.gz LXTHPIRPXBVLEG-UHFFFAOYSA-N 0 3 170.256 0.640 20 0 ACADHN CC1(C)C[C@H]1CNC(=O)C1(N)CC1 226350813 344500339 /nfs/dbraw/zinc/50/03/39/344500339.db2.gz PPIJJITZOTZHKG-ZETCQYMHSA-N 0 3 182.267 0.640 20 0 ACADHN Cc1cncc(NC(=O)[C@H](C)N)c1 226400632 344501762 /nfs/dbraw/zinc/50/17/62/344501762.db2.gz UJSMEGZCCHOHJX-ZETCQYMHSA-N 0 3 179.223 0.676 20 0 ACADHN C[C@@H]1CCN(Cc2ccno2)[C@@H]1CO 227189825 344524671 /nfs/dbraw/zinc/52/46/71/344524671.db2.gz FPINTHNXFUREGC-PSASIEDQSA-N 0 3 196.250 0.877 20 0 ACADHN C[C@@H]1CN([C@H](C)C(N)=O)C[C@@H]1C 227329860 344528699 /nfs/dbraw/zinc/52/86/99/344528699.db2.gz ZCJDQTHPIQDPML-GJMOJQLCSA-N 0 3 170.256 0.448 20 0 ACADHN C[C@@H](N)C(=O)NC1(C)CCOCC1 229902138 344619194 /nfs/dbraw/zinc/61/91/94/344619194.db2.gz VNGKLJIIDSUBEX-SSDOTTSWSA-N 0 3 186.255 0.019 20 0 ACADHN C[C@H](N)C(=O)NC1(C)CCOCC1 229901693 344619280 /nfs/dbraw/zinc/61/92/80/344619280.db2.gz VNGKLJIIDSUBEX-ZETCQYMHSA-N 0 3 186.255 0.019 20 0 ACADHN C[C@H]1CN(CC2CC2)C[C@@H](CO)O1 230010814 344623583 /nfs/dbraw/zinc/62/35/83/344623583.db2.gz YDMCNQDDSCMMBI-WPRPVWTQSA-N 0 3 185.267 0.478 20 0 ACADHN C[C@]1(O)CCN(CCF)C1 229959955 344621537 /nfs/dbraw/zinc/62/15/37/344621537.db2.gz XMXYJPUBTOXMOU-ZETCQYMHSA-N 0 3 147.193 0.413 20 0 ACADHN C[C@@H]1CCN([C@@H]2CCOC2)C[C@@H]1O 230266799 344630421 /nfs/dbraw/zinc/63/04/21/344630421.db2.gz XEAFBUWYRQNDES-BBBLOLIVSA-N 0 3 185.267 0.478 20 0 ACADHN C[C@@H](CO)CN1CCO[C@@H]2CCC[C@@H]21 231636873 344655450 /nfs/dbraw/zinc/65/54/50/344655450.db2.gz XDDKFJYIBORTEC-OUAUKWLOSA-N 0 3 199.294 0.868 20 0 ACADHN CN1CCC(NC(=O)C(F)F)CC1 234327158 344717330 /nfs/dbraw/zinc/71/73/30/344717330.db2.gz HSZVEKPFKFZZIP-UHFFFAOYSA-N 0 3 192.209 0.462 20 0 ACADHN C[C@@H]1C[C@@H](NC(=O)[C@@H](C)N)CCO1 235157047 344734579 /nfs/dbraw/zinc/73/45/79/344734579.db2.gz RVONGOKMDJKGMN-PRJMDXOYSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H]1CC[C@@H](c2cnnn2C)NC1 235621322 344760044 /nfs/dbraw/zinc/76/00/44/344760044.db2.gz VEIYSMVWHCYORW-YUMQZZPRSA-N 0 3 180.255 0.876 20 0 ACADHN Cc1nn2c(CN)ccnc2c1C 235947143 344770511 /nfs/dbraw/zinc/77/05/11/344770511.db2.gz FCNPYTVDPLRMIK-UHFFFAOYSA-N 0 3 176.223 0.805 20 0 ACADHN O[C@@H]1CCCC[C@@H]1OC1CNC1 236528450 344787931 /nfs/dbraw/zinc/78/79/31/344787931.db2.gz HZGPUGDZZZMAFE-BDAKNGLRSA-N 0 3 171.240 0.278 20 0 ACADHN CCC(=O)N1[C@@H](C)[C@@H](C)NC[C@H]1C 238206738 344795914 /nfs/dbraw/zinc/79/59/14/344795914.db2.gz ODUKHHGXABKWGY-HLTSFMKQSA-N 0 3 184.283 0.994 20 0 ACADHN NC(=O)CN1CC[C@H]2CCC[C@@H]21 238544719 344812156 /nfs/dbraw/zinc/81/21/56/344812156.db2.gz LZUVCAAQASMDMD-SFYZADRCSA-N 0 3 168.240 0.346 20 0 ACADHN CCCCN(C)CC(=O)NC1CC1 244396631 344826158 /nfs/dbraw/zinc/82/61/58/344826158.db2.gz YHXOTDRVDDAFCL-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN C[C@H]1CCCN(CC(=O)[O-])[C@H]1C[NH3+] 252087994 344883937 /nfs/dbraw/zinc/88/39/37/344883937.db2.gz DCWSBLVWJQYWFT-YUMQZZPRSA-N 0 3 186.255 0.130 20 0 ACADHN C[C@@H]1CCCN(CC(=O)[O-])[C@H]1C[NH3+] 252087993 344883944 /nfs/dbraw/zinc/88/39/44/344883944.db2.gz DCWSBLVWJQYWFT-SFYZADRCSA-N 0 3 186.255 0.130 20 0 ACADHN O[C@H]1CC[C@H](NCc2c[nH]cn2)CC1 252705809 344909780 /nfs/dbraw/zinc/90/97/80/344909780.db2.gz RKSAKUCMANLZIJ-CZMCAQCFSA-N 0 3 195.266 0.803 20 0 ACADHN O[C@H]1CC[C@H](NCc2cnc[nH]2)CC1 252705809 344909781 /nfs/dbraw/zinc/90/97/81/344909781.db2.gz RKSAKUCMANLZIJ-CZMCAQCFSA-N 0 3 195.266 0.803 20 0 ACADHN CC[C@H]1CCN([C@H](C)C(N)=O)C1 252740122 344911733 /nfs/dbraw/zinc/91/17/33/344911733.db2.gz GKTASJHPHGMRGX-SFYZADRCSA-N 0 3 170.256 0.592 20 0 ACADHN CC(C)(C)n1cc(CN)c(=O)[nH]c1=O 257864704 344943127 /nfs/dbraw/zinc/94/31/27/344943127.db2.gz HKTJSIVHDYWJBB-UHFFFAOYSA-N 0 3 197.238 0.163 20 0 ACADHN NC(=O)[C@H]1CCN(Cc2ccco2)C1 259488255 344949094 /nfs/dbraw/zinc/94/90/94/344949094.db2.gz ZOQTYJUZEVXDGC-QMMMGPOBSA-N 0 3 194.234 0.587 20 0 ACADHN C[C@@H](C[NH3+])[N-]C(=O)C(C)(F)F 306193153 345082948 /nfs/dbraw/zinc/08/29/48/345082948.db2.gz CRNGBCGWNQDQCT-BYPYZUCNSA-N 0 3 166.171 0.105 20 0 ACADHN C[C@H]1CCCCN(CC(N)=O)C1 306263833 345154287 /nfs/dbraw/zinc/15/42/87/345154287.db2.gz YYIMNGWECCPTAC-QMMMGPOBSA-N 0 3 170.256 0.594 20 0 ACADHN C[C@H]1COC(C)(C)CN1C[C@@H](C)O 306287857 345170707 /nfs/dbraw/zinc/17/07/07/345170707.db2.gz LUAWNBTXUKKSJM-DTWKUNHWSA-N 0 3 187.283 0.867 20 0 ACADHN Cc1noc(C)c1NC(=O)[C@H](C)N 306299694 345180520 /nfs/dbraw/zinc/18/05/20/345180520.db2.gz YHWNGVDSYUXTQG-BYPYZUCNSA-N 0 3 183.211 0.577 20 0 ACADHN C[C@H]1CCC[C@@H](C)CN1CC(N)=O 306327815 345205515 /nfs/dbraw/zinc/20/55/15/345205515.db2.gz AGURFRDACFCUIP-BDAKNGLRSA-N 0 3 184.283 0.982 20 0 ACADHN CN(C(=O)[C@]1(F)CCNC1)C1CC1 306357748 345228786 /nfs/dbraw/zinc/22/87/86/345228786.db2.gz WIRPSPLRYHDQSL-VIFPVBQESA-N 0 3 186.230 0.309 20 0 ACADHN C[C@H]1CN(C2CC2)C[C@H]1NC(N)=O 306413050 345272192 /nfs/dbraw/zinc/27/21/92/345272192.db2.gz NCABIFHEMJHENP-POYBYMJQSA-N 0 3 183.255 0.137 20 0 ACADHN CC1(C)C[C@@H]1NC1COCCOC1 306383247 345248536 /nfs/dbraw/zinc/24/85/36/345248536.db2.gz BUXCNIYQVUIMAB-VIFPVBQESA-N 0 3 185.267 0.790 20 0 ACADHN CC[C@H](C(=O)NC)N(C)C 306474595 345339335 /nfs/dbraw/zinc/33/93/35/345339335.db2.gz MZNGOMKMGOZWBH-ZCFIWIBFSA-N 0 3 144.218 0.073 20 0 ACADHN C[C@H]1CN(CCF)C[C@@H]1O 306475278 345340497 /nfs/dbraw/zinc/34/04/97/345340497.db2.gz QTLMDCGBXTVYSY-BQBZGAKWSA-N 0 3 147.193 0.269 20 0 ACADHN Cc1cccc(NC(=O)[C@H]2CCN2)n1 306527168 345398690 /nfs/dbraw/zinc/39/86/90/345398690.db2.gz WQMXVJVJHIJHDK-MRVPVSSYSA-N 0 3 191.234 0.690 20 0 ACADHN C[C@H](N)C(=O)Nc1c[nH]ccc1=O 306543324 345417863 /nfs/dbraw/zinc/41/78/63/345417863.db2.gz RZNBMUUOFHTYJK-YFKPBYRVSA-N 0 3 181.195 0.073 20 0 ACADHN C[C@H](N)C(=O)N1[C@@H](C)CC[C@@H]1C 306544758 345418707 /nfs/dbraw/zinc/41/87/07/345418707.db2.gz YYRIXWMFGNXWEE-FXQIFTODSA-N 0 3 170.256 0.733 20 0 ACADHN C[C@H]1CN(C)[C@H](C)CN1CCCO 306555287 345430582 /nfs/dbraw/zinc/43/05/82/345430582.db2.gz BUVZKPUEMIYRBL-ZJUUUORDSA-N 0 3 186.299 0.393 20 0 ACADHN C[C@@H]1CN(Cc2cn[nH]c2)CC[C@@H]1O 306567752 345444107 /nfs/dbraw/zinc/44/41/07/345444107.db2.gz SWPFOQSKVOFOHX-SCZZXKLOSA-N 0 3 195.266 0.612 20 0 ACADHN COCC[C@]1(C)NCCc2nc[nH]c21 306590110 345467553 /nfs/dbraw/zinc/46/75/53/345467553.db2.gz XPPMBMSHVQOTJH-JTQLQIEISA-N 0 3 195.266 0.807 20 0 ACADHN C[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)C2(C)C 306647717 345516115 /nfs/dbraw/zinc/51/61/15/345516115.db2.gz CELBXNVXQXWCFO-BIIVOSGPSA-N 0 3 182.267 0.448 20 0 ACADHN C[C@H]1CCN(C(=O)CN)[C@H]1C 306853070 345658693 /nfs/dbraw/zinc/65/86/93/345658693.db2.gz SQGJNMNPLJUWFU-BQBZGAKWSA-N 0 3 156.229 0.202 20 0 ACADHN CC[C@H]1C[C@H](C)CN1C(=O)CN 306956858 345718219 /nfs/dbraw/zinc/71/82/19/345718219.db2.gz SFGJVLYJJXQIIY-YUMQZZPRSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@H]1C[C@@H](O)CN1Cc1cn[nH]c1 307059543 345784893 /nfs/dbraw/zinc/78/48/93/345784893.db2.gz MWDOHYQOODORGO-IONNQARKSA-N 0 3 181.239 0.365 20 0 ACADHN CNC(=O)CN1CC[C@@H](C)[C@H](C)C1 307123642 345822977 /nfs/dbraw/zinc/82/29/77/345822977.db2.gz XTTZGLXQWWSHEP-RKDXNWHRSA-N 0 3 184.283 0.710 20 0 ACADHN CC(C)NC(=O)[C@@H](N)C1CCC1 307087289 345802225 /nfs/dbraw/zinc/80/22/25/345802225.db2.gz LFFIAGLAEVJWKJ-QMMMGPOBSA-N 0 3 170.256 0.638 20 0 ACADHN CNC(=O)[C@H]1CCCN1CC1CC1 307172578 345864067 /nfs/dbraw/zinc/86/40/67/345864067.db2.gz BVGQRTFSMMESKY-SECBINFHSA-N 0 3 182.267 0.607 20 0 ACADHN C[C@@H](C(N)=O)N1CCC2(CC1)CC2 307184971 345873216 /nfs/dbraw/zinc/87/32/16/345873216.db2.gz RGPXGPLANWPTMJ-QMMMGPOBSA-N 0 3 182.267 0.736 20 0 ACADHN O=C1C[C@H](NCCF)CCCN1 307272328 345939056 /nfs/dbraw/zinc/93/90/56/345939056.db2.gz TWPVMFPMIWOXAA-SSDOTTSWSA-N 0 3 174.219 0.214 20 0 ACADHN O=C1C[C@@H](NCCF)CCCN1 307272329 345939121 /nfs/dbraw/zinc/93/91/21/345939121.db2.gz TWPVMFPMIWOXAA-ZETCQYMHSA-N 0 3 174.219 0.214 20 0 ACADHN CC(C)N[C@@H]1CS(=O)(=O)C[C@@H]1C 307296009 345953004 /nfs/dbraw/zinc/95/30/04/345953004.db2.gz OCCPVTAPXOOPIC-JGVFFNPUSA-N 0 3 191.296 0.418 20 0 ACADHN C[C@H]1CCN(Cc2cn[nH]n2)C1 307301669 345956636 /nfs/dbraw/zinc/95/66/36/345956636.db2.gz XWWJQCNEJYKRPM-ZETCQYMHSA-N 0 3 166.228 0.647 20 0 ACADHN C[C@H]1CCN(Cc2c[nH]nn2)C1 307301669 345956637 /nfs/dbraw/zinc/95/66/37/345956637.db2.gz XWWJQCNEJYKRPM-ZETCQYMHSA-N 0 3 166.228 0.647 20 0 ACADHN CNCC(=O)Nc1c(C)noc1C 307309388 345961728 /nfs/dbraw/zinc/96/17/28/345961728.db2.gz HZQSURAGPULHKR-UHFFFAOYSA-N 0 3 183.211 0.449 20 0 ACADHN NC(=O)[C@@H](N)C[C@H]1CCCC1(F)F 307398875 346017468 /nfs/dbraw/zinc/01/74/68/346017468.db2.gz UYTAKKVEZBIIBA-RITPCOANSA-N 0 3 192.209 0.625 20 0 ACADHN CC(=O)CN1C[C@H]2C[C@H]2C1 307390694 346011711 /nfs/dbraw/zinc/01/17/11/346011711.db2.gz UAQMTIBHNNPPRS-OCAPTIKFSA-N 0 3 139.198 0.527 20 0 ACADHN CNCC(=O)N1CCC2(CCC2)C1 307471009 346060121 /nfs/dbraw/zinc/06/01/21/346060121.db2.gz WOFBNHPYVSHLIA-UHFFFAOYSA-N 0 3 182.267 0.608 20 0 ACADHN CC1(C)CN(CCO)CC[C@@H]1O 307482706 346067372 /nfs/dbraw/zinc/06/73/72/346067372.db2.gz ROZRSJHYZOMIML-QMMMGPOBSA-N 0 3 173.256 0.072 20 0 ACADHN CC(C)[C@H]1CN(C(N)=O)CCN1C 307468215 346058895 /nfs/dbraw/zinc/05/88/95/346058895.db2.gz LWNAKUCDIBRHPX-MRVPVSSYSA-N 0 3 185.271 0.337 20 0 ACADHN Cc1cc(CN[C@@H]2CCC[C@H]2O)n[nH]1 307503244 346078304 /nfs/dbraw/zinc/07/83/04/346078304.db2.gz VYPRPLREFVVCMB-NXEZZACHSA-N 0 3 195.266 0.721 20 0 ACADHN Cc1cc(CN[C@@H]2CCC[C@H]2O)[nH]n1 307503244 346078305 /nfs/dbraw/zinc/07/83/05/346078305.db2.gz VYPRPLREFVVCMB-NXEZZACHSA-N 0 3 195.266 0.721 20 0 ACADHN NC(=O)[C@H](N)CC1=CCCC1 307517120 346086840 /nfs/dbraw/zinc/08/68/40/346086840.db2.gz WROJCDJHJRGTES-SSDOTTSWSA-N 0 3 154.213 0.299 20 0 ACADHN NC(=O)[C@@H](N)CC1=CCCC1 307517121 346086844 /nfs/dbraw/zinc/08/68/44/346086844.db2.gz WROJCDJHJRGTES-ZETCQYMHSA-N 0 3 154.213 0.299 20 0 ACADHN CC[C@H]1C[C@H](C)CN1CC(N)=O 307524666 346091357 /nfs/dbraw/zinc/09/13/57/346091357.db2.gz IWJFFPNXVZDJEZ-YUMQZZPRSA-N 0 3 170.256 0.592 20 0 ACADHN CNCC(=O)N1C[C@@H](C)CC1(C)C 307544140 346103089 /nfs/dbraw/zinc/10/30/89/346103089.db2.gz GJENEDXWSKLFJF-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN O=C1CC[C@@H](CN2CC=CCC2)N1 307555057 346110014 /nfs/dbraw/zinc/11/00/14/346110014.db2.gz SPQVYVASKFHMPY-VIFPVBQESA-N 0 3 180.251 0.527 20 0 ACADHN O=S1(=O)CCC[C@@H](NC2CC2)C1 68939207 207353670 /nfs/dbraw/zinc/35/36/70/207353670.db2.gz AYNXZODVWIPHBE-MRVPVSSYSA-N 0 3 189.280 0.316 20 0 ACADHN O=S1(=O)CCC[C@H](NC2CC2)C1 68939205 207353681 /nfs/dbraw/zinc/35/36/81/207353681.db2.gz AYNXZODVWIPHBE-QMMMGPOBSA-N 0 3 189.280 0.316 20 0 ACADHN CN1CCN(CC2(C)COC2)CC1 307690347 346185761 /nfs/dbraw/zinc/18/57/61/346185761.db2.gz MSSGRULGNKADGD-UHFFFAOYSA-N 0 3 184.283 0.270 20 0 ACADHN Cc1c(NC(=O)[C@H]2CCN2)cnn1C 307695044 346188959 /nfs/dbraw/zinc/18/89/59/346188959.db2.gz YVJVYHOURYVNML-SSDOTTSWSA-N 0 3 194.238 0.029 20 0 ACADHN CCCCN(C)CC(=O)NC 307871126 346231529 /nfs/dbraw/zinc/23/15/29/346231529.db2.gz LMNYGYRWCLNWIV-UHFFFAOYSA-N 0 3 158.245 0.464 20 0 ACADHN O[C@H]1CN(CCCCCF)C[C@@H]1O 308135283 346258832 /nfs/dbraw/zinc/25/88/32/346258832.db2.gz HTXVUVMWRWGALS-IUCAKERBSA-N 0 3 191.246 0.164 20 0 ACADHN CC(C)[C@H](C(=O)N1CCC1)N(C)C 308158946 346263595 /nfs/dbraw/zinc/26/35/95/346263595.db2.gz TZKVMVVPVKYEBM-SECBINFHSA-N 0 3 184.283 0.805 20 0 ACADHN Cc1noc(OCCN(C)C)n1 308163709 346264820 /nfs/dbraw/zinc/26/48/20/346264820.db2.gz SWPBPCQANCBDAK-UHFFFAOYSA-N 0 3 171.200 0.318 20 0 ACADHN CCCN(C)[C@H](C)C(=O)NC1CC1 308213833 346270321 /nfs/dbraw/zinc/27/03/21/346270321.db2.gz HWKYJJDQAHHDQY-MRVPVSSYSA-N 0 3 184.283 0.995 20 0 ACADHN CC[C@H]1CCCN1CC(=O)N(C)C 308248704 346275529 /nfs/dbraw/zinc/27/55/29/346275529.db2.gz ZXLRMHKIGCKWAJ-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN CC(C)N(CC(N)=O)C[C@@H]1C[C@@H]1C 308131361 346258571 /nfs/dbraw/zinc/25/85/71/346258571.db2.gz BCAVUYDVHYGMOM-IUCAKERBSA-N 0 3 184.283 0.838 20 0 ACADHN CC[C@H]1CCN(CC(=O)N(C)C)C1 308328714 346290678 /nfs/dbraw/zinc/29/06/78/346290678.db2.gz HMPSRFAEURTTJE-VIFPVBQESA-N 0 3 184.283 0.807 20 0 ACADHN CCCNC(=O)CN(C)CC1CC1 308484398 346306770 /nfs/dbraw/zinc/30/67/70/346306770.db2.gz ONRMHHXXJHOQGD-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CN(C1CCCC1)[C@H]1CCNC1=O 334164479 346328644 /nfs/dbraw/zinc/32/86/44/346328644.db2.gz AENFVXIIIHFVKD-VIFPVBQESA-N 0 3 182.267 0.749 20 0 ACADHN CC1(C)CCCN(CCNC(N)=O)C1 334196234 346331699 /nfs/dbraw/zinc/33/16/99/346331699.db2.gz ZIDMNRDIOAZSNQ-UHFFFAOYSA-N 0 3 199.298 0.777 20 0 ACADHN C[C@H]1CCCN([C@H]2CCN(C)C2=O)C1 334481789 346349984 /nfs/dbraw/zinc/34/99/84/346349984.db2.gz WZPNTGQZALMPLO-UWVGGRQHSA-N 0 3 196.294 0.949 20 0 ACADHN CNC(=O)NCCN1CCCCCC1 334536467 346352283 /nfs/dbraw/zinc/35/22/83/346352283.db2.gz LTDIRDQXSUWIFJ-UHFFFAOYSA-N 0 3 199.298 0.791 20 0 ACADHN C[C@H]1COCCN1C[C@H]1CCOC1 334736920 346362667 /nfs/dbraw/zinc/36/26/67/346362667.db2.gz VPWUUTGSWVWRHA-VHSXEESVSA-N 0 3 185.267 0.744 20 0 ACADHN Cc1ccc(NC(=O)[C@@H]2C[C@@H]2N)cn1 335284965 346385729 /nfs/dbraw/zinc/38/57/29/346385729.db2.gz PCHUWOVAPCYQFH-BDAKNGLRSA-N 0 3 191.234 0.676 20 0 ACADHN Cc1cncc(NC(=O)[C@@H]2C[C@@H]2N)c1 335278264 346385740 /nfs/dbraw/zinc/38/57/40/346385740.db2.gz CTUBYCNRAILVCA-BDAKNGLRSA-N 0 3 191.234 0.676 20 0 ACADHN CN(CC1CCCC1)C(=O)[C@@H]1C[C@@H]1N 335302672 346388259 /nfs/dbraw/zinc/38/82/59/346388259.db2.gz JWUACPVCEJSALS-ZJUUUORDSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@H]1CN(C)CCN1C[C@@H]1CCCO1 335521011 346402422 /nfs/dbraw/zinc/40/24/22/346402422.db2.gz SRKYPSUHHKOVFP-QWRGUYRKSA-N 0 3 198.310 0.801 20 0 ACADHN CN(C(=O)C1(N)CC1)[C@@H]1CC1(C)C 335562655 346405193 /nfs/dbraw/zinc/40/51/93/346405193.db2.gz JUHSTOKCECKCSG-SSDOTTSWSA-N 0 3 182.267 0.735 20 0 ACADHN CN(CC1(C)CCC1)[C@@H]1COC[C@H]1O 335673392 346413278 /nfs/dbraw/zinc/41/32/78/346413278.db2.gz ZSUAXSXIRBEPPE-NXEZZACHSA-N 0 3 199.294 0.868 20 0 ACADHN CNC(=O)[C@H]1CCCCN1CC1CC1 335808627 346421143 /nfs/dbraw/zinc/42/11/43/346421143.db2.gz IHIVCCUVQQEGGS-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CNC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 335808815 346421171 /nfs/dbraw/zinc/42/11/71/346421171.db2.gz HOOURJCWKNGENI-HTQZYQBOSA-N 0 3 197.282 0.541 20 0 ACADHN CN(C)C(=O)CN1CC[C@@H]2CCC[C@H]21 335845768 346423195 /nfs/dbraw/zinc/42/31/95/346423195.db2.gz VAAXKSPFKPZUIG-VHSXEESVSA-N 0 3 196.294 0.949 20 0 ACADHN CN1CCC[C@@H]1CNC(=O)C1(C)CC1 335881742 346425809 /nfs/dbraw/zinc/42/58/09/346425809.db2.gz VIMRZXBERKMHHH-SECBINFHSA-N 0 3 196.294 0.997 20 0 ACADHN Cc1ccncc1CN1CC[C@H](O)C1 336338352 346456240 /nfs/dbraw/zinc/45/62/40/346456240.db2.gz PGWHCOCOIFPYPB-NSHDSACASA-N 0 3 192.262 0.957 20 0 ACADHN CC[C@H]1C(=O)NCCN1CC(C)C 336354183 346457786 /nfs/dbraw/zinc/45/77/86/346457786.db2.gz RISFMMRANZHHED-VIFPVBQESA-N 0 3 184.283 0.853 20 0 ACADHN CN1CCCN(C(=O)CC2CC2)CC1 336480398 346466503 /nfs/dbraw/zinc/46/65/03/346466503.db2.gz DOTQWNXIHYVHMV-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN CN1CCCN(Cc2cc[nH]n2)CC1 336496580 346468242 /nfs/dbraw/zinc/46/82/42/346468242.db2.gz DUJAJYUPAOTLQA-UHFFFAOYSA-N 0 3 194.282 0.547 20 0 ACADHN CN1CC[C@H](N2CCC(C)(C)C2)C1=O 336552943 346471800 /nfs/dbraw/zinc/47/18/00/346471800.db2.gz SSUXHWDMJPTRFQ-VIFPVBQESA-N 0 3 196.294 0.949 20 0 ACADHN CC[C@H](C)N(C)[C@H]1CCNC1=O 336552799 346471818 /nfs/dbraw/zinc/47/18/18/346471818.db2.gz ZLPLGHIWLYNQSS-YUMQZZPRSA-N 0 3 170.256 0.605 20 0 ACADHN CC(C)N(C)[C@H]1CCN(C)C1=O 336552591 346471823 /nfs/dbraw/zinc/47/18/23/346471823.db2.gz NPNPBMATZXGZTC-QMMMGPOBSA-N 0 3 170.256 0.557 20 0 ACADHN CC1CCN([C@@H]2CCN(C)C2=O)CC1 336554322 346473438 /nfs/dbraw/zinc/47/34/38/346473438.db2.gz ZFYXXIGTCKYHDE-SNVBAGLBSA-N 0 3 196.294 0.949 20 0 ACADHN COC[C@](C)(O)CNCc1ccco1 379588625 346525651 /nfs/dbraw/zinc/52/56/51/346525651.db2.gz UIEHRHSMXYQSAP-SNVBAGLBSA-N 0 3 199.250 0.767 20 0 ACADHN CC(=O)NCCCNCc1ccco1 379609461 346527325 /nfs/dbraw/zinc/52/73/25/346527325.db2.gz SDOGHLJBXBNOLZ-UHFFFAOYSA-N 0 3 196.250 0.895 20 0 ACADHN C[C@@H](NCC1CC(O)C1)c1cn[nH]c1 388743268 346565480 /nfs/dbraw/zinc/56/54/80/346565480.db2.gz VHIQSMCAETVJAU-ZNFPMYQNSA-N 0 3 195.266 0.831 20 0 ACADHN CN(C)CCNC(=O)C1CC=CC1 393721082 346583256 /nfs/dbraw/zinc/58/32/56/346583256.db2.gz AGXSBDGLPMLHIJ-UHFFFAOYSA-N 0 3 182.267 0.630 20 0 ACADHN COC[C@@H](NCc1c[nH]nn1)C1CC1 398310021 346595172 /nfs/dbraw/zinc/59/51/72/346595172.db2.gz XIILMBSIXWKOKT-SECBINFHSA-N 0 3 196.254 0.319 20 0 ACADHN CC(=O)N1[C@@H](C)[C@@H](C)NC[C@H]1C 401284978 346603792 /nfs/dbraw/zinc/60/37/92/346603792.db2.gz IAFSTWGXYYUNCE-PRJMDXOYSA-N 0 3 170.256 0.604 20 0 ACADHN CC(=O)N1[C@@H](C)[C@H](C)NC[C@H]1C 401284976 346603788 /nfs/dbraw/zinc/60/37/88/346603788.db2.gz IAFSTWGXYYUNCE-CSMHCCOUSA-N 0 3 170.256 0.604 20 0 ACADHN NCC(=O)N1CCC=C(Cl)C1 404213726 346640149 /nfs/dbraw/zinc/64/01/49/346640149.db2.gz ROIMKJJDHOSHPC-UHFFFAOYSA-N 0 3 174.631 0.300 20 0 ACADHN C[C@H](N)C(=O)N1CCC=C(Cl)C1 404187016 346640153 /nfs/dbraw/zinc/64/01/53/346640153.db2.gz DLMKELSYBFHUKU-LURJTMIESA-N 0 3 188.658 0.689 20 0 ACADHN CC[C@H]1CN(C)CCN1C[C@H](C)O 591873584 346825847 /nfs/dbraw/zinc/82/58/47/346825847.db2.gz PHAZNEHITIFAAC-UWVGGRQHSA-N 0 3 186.299 0.393 20 0 ACADHN CN(CC(=O)NC1CC1)CC1CCC1 600713232 346915667 /nfs/dbraw/zinc/91/56/67/346915667.db2.gz OARTZCDAWCJGTR-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CC[C@@H]1CN(CCCO)C[C@H](C)O1 600700803 346916078 /nfs/dbraw/zinc/91/60/78/346916078.db2.gz HKVCHSYGGZJXHP-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H](O)CN(C)CCn1cccn1 601071038 346920897 /nfs/dbraw/zinc/92/08/97/346920897.db2.gz XBDPCMMGTVULNP-SNVBAGLBSA-N 0 3 197.282 0.586 20 0 ACADHN CN(CCNC(=O)N1CCC1)C1CC1 602438323 346931983 /nfs/dbraw/zinc/93/19/83/346931983.db2.gz YRNIQBUSOCZEIE-UHFFFAOYSA-N 0 3 197.282 0.496 20 0 ACADHN CC(=O)CN[C@@H](CCO)C(C)(C)C 602804482 346944326 /nfs/dbraw/zinc/94/43/26/346944326.db2.gz IIEVYCOXJMNIIB-VIFPVBQESA-N 0 3 187.283 0.962 20 0 ACADHN Cn1nccc1CNC[C@H]1C[C@@H](O)C1 623750712 347263311 /nfs/dbraw/zinc/26/33/11/347263311.db2.gz RNDCDHRAYXIUNU-WAAGHKOSSA-N 0 3 195.266 0.281 20 0 ACADHN O=c1ccc(CN[C@H]2C[C@@H](O)C2)c[nH]1 631155815 347376956 /nfs/dbraw/zinc/37/69/56/347376956.db2.gz YAGXULYWIQSENH-DTORHVGOSA-N 0 3 194.234 0.400 20 0 ACADHN c1cc(CN2C[C@H]3COC[C@H]3C2)on1 634780748 347428344 /nfs/dbraw/zinc/42/83/44/347428344.db2.gz ULPYWYKAWDVSMH-DTORHVGOSA-N 0 3 194.234 0.753 20 0 ACADHN Cc1nc(NC(=O)[C@@H](C)N(C)C)n[nH]1 635511937 347443187 /nfs/dbraw/zinc/44/31/87/347443187.db2.gz PMSSCWOEDVCWAG-RXMQYKEDSA-N 0 3 197.242 0.002 20 0 ACADHN CCC[C@@H](CNC(=O)CN)OCC 638457873 347482269 /nfs/dbraw/zinc/48/22/69/347482269.db2.gz OXBZJHQMLVPXFQ-QMMMGPOBSA-N 0 3 188.271 0.267 20 0 ACADHN C/C=C/CNC(=O)C(N)C(F)(F)F 638688890 347488504 /nfs/dbraw/zinc/48/85/04/347488504.db2.gz GTWLNBOKPYNFTK-WVSAJJKCSA-N 0 3 196.172 0.568 20 0 ACADHN CNCC(=O)N[C@@H](C)CC1CCC1 638995301 347498791 /nfs/dbraw/zinc/49/87/91/347498791.db2.gz AJUVVSQABKJCLE-QMMMGPOBSA-N 0 3 184.283 0.901 20 0 ACADHN CNCC(=O)N1CCC(C)(F)CC1 638995079 347498795 /nfs/dbraw/zinc/49/87/95/347498795.db2.gz RIONXFIIHJWVQU-UHFFFAOYSA-N 0 3 188.246 0.556 20 0 ACADHN CO[C@@H](CNCCF)[C@@H]1CCOC1 639133803 347503174 /nfs/dbraw/zinc/50/31/74/347503174.db2.gz YOTUBEINHDTALJ-BDAKNGLRSA-N 0 3 191.246 0.597 20 0 ACADHN CC(=O)CN(C)[C@@H]1CCN(C(C)C)C1 639670224 347532034 /nfs/dbraw/zinc/53/20/34/347532034.db2.gz IWPCKUHIVISNTF-LLVKDONJSA-N 0 3 198.310 0.990 20 0 ACADHN CN1CCN(CC2CC2)[C@@H](CO)C1 639336501 347511862 /nfs/dbraw/zinc/51/18/62/347511862.db2.gz KBWUQBAXVPFRSY-SNVBAGLBSA-N 0 3 184.283 0.005 20 0 ACADHN C[C@@H]1CCC[C@H](NC(=O)CN)C1 37256244 351465451 /nfs/dbraw/zinc/46/54/51/351465451.db2.gz HXTPXLMQCSGMPC-SFYZADRCSA-N 0 3 170.256 0.640 20 0 ACADHN OC[C@H]1CCN(Cc2ccccn2)C1 49474361 351547613 /nfs/dbraw/zinc/54/76/13/351547613.db2.gz XYPCMRMGKYGLON-JTQLQIEISA-N 0 3 192.262 0.896 20 0 ACADHN O=C(C1CC=CC1)N1CCCNCC1 69412742 351597435 /nfs/dbraw/zinc/59/74/35/351597435.db2.gz ROBMTSDLAOPUTA-UHFFFAOYSA-N 0 3 194.278 0.775 20 0 ACADHN CNC(=O)CN1CCC2(CCC2)C1 306156861 351901817 /nfs/dbraw/zinc/90/18/17/351901817.db2.gz CRXGMMOKSISLOE-UHFFFAOYSA-N 0 3 182.267 0.608 20 0 ACADHN C[C@@H]1CCN(CC(=O)N(C)C)C1 306565819 351946461 /nfs/dbraw/zinc/94/64/61/351946461.db2.gz YHOPOACHCITECM-MRVPVSSYSA-N 0 3 170.256 0.416 20 0 ACADHN C[C@@H]1CCN(C(=O)C2(N)CC2)[C@@H]1C 306645999 351953035 /nfs/dbraw/zinc/95/30/35/351953035.db2.gz ANOXHOYLBHGBBO-HTQZYQBOSA-N 0 3 182.267 0.735 20 0 ACADHN OCCN1CC[C@@H](n2cccn2)C1 307230222 351997385 /nfs/dbraw/zinc/99/73/85/351997385.db2.gz AQAPYVKBXKCHNZ-SECBINFHSA-N 0 3 181.239 0.122 20 0 ACADHN C[C@@H]1CN(CC(N)=O)CC(C)(C)C1 307331946 352004086 /nfs/dbraw/zinc/00/40/86/352004086.db2.gz ZWLWGBJJRFBHHC-QMMMGPOBSA-N 0 3 184.283 0.840 20 0 ACADHN C[C@@H](C1CC1)N(C)CC(=O)N(C)C 308136622 352044339 /nfs/dbraw/zinc/04/43/39/352044339.db2.gz FRXHYNBKOWNPDX-QMMMGPOBSA-N 0 3 184.283 0.805 20 0 ACADHN CON(C)C(=O)[C@H](N)CCSC 163599463 229147281 /nfs/dbraw/zinc/14/72/81/229147281.db2.gz QLETZLWRDVVJIW-ZCFIWIBFSA-N 0 3 192.284 0.087 20 0 ACADHN CCOCCN(C)CCc1cn[nH]n1 643611420 353004931 /nfs/dbraw/zinc/00/49/31/353004931.db2.gz OWSMSUBNZBSIHC-UHFFFAOYSA-N 0 3 198.270 0.316 20 0 ACADHN CC[C@@H](C)[C@H](C)NC(=O)CN 42558571 409353721 /nfs/dbraw/zinc/35/37/21/409353721.db2.gz XWAVLMCRZYMJMO-RQJHMYQMSA-N 0 3 158.245 0.496 20 0 ACADHN CCCCN[C@]1(C(N)=O)CCOC1 653841451 409380616 /nfs/dbraw/zinc/38/06/16/409380616.db2.gz CVAMTLCMVXRBJG-SECBINFHSA-N 0 3 186.255 0.021 20 0 ACADHN CC[C@@H](N)C(=O)NCc1ccc(C)o1 53038665 409384846 /nfs/dbraw/zinc/38/48/46/409384846.db2.gz NHSCKUXNGXNKEF-SECBINFHSA-N 0 3 196.250 0.942 20 0 ACADHN C[C@@H](CNC(=O)NC1CCC1)N(C)C 122920743 409468440 /nfs/dbraw/zinc/46/84/40/409468440.db2.gz JEHVCMWGCYDVFI-QMMMGPOBSA-N 0 3 199.298 0.788 20 0 ACADHN COCc1noc(C(C)(C)CN)n1 133750925 409498868 /nfs/dbraw/zinc/49/88/68/409498868.db2.gz GAICMYXKEFNPQQ-UHFFFAOYSA-N 0 3 185.227 0.452 20 0 ACADHN O=C(OC1CNC1)N1CCCCC1 86230750 325611237 /nfs/dbraw/zinc/61/12/37/325611237.db2.gz JHJAYSNDMGCMRQ-UHFFFAOYSA-N 0 3 184.239 0.581 20 0 ACADHN C[C@H](NC(=O)[C@@H](C)N)c1nccs1 70634135 325605244 /nfs/dbraw/zinc/60/52/44/325605244.db2.gz PLWQFCGVNGSLPA-RITPCOANSA-N 0 3 199.279 0.668 20 0 ACADHN OC1CN(c2ccncc2)C1 70838857 325605741 /nfs/dbraw/zinc/60/57/41/325605741.db2.gz XJWODDCYSOLKSH-UHFFFAOYSA-N 0 3 150.181 0.263 20 0 ACADHN c1csc(NC2CNC2)n1 85256801 325610433 /nfs/dbraw/zinc/61/04/33/325610433.db2.gz KIJTZENOBQIHLA-UHFFFAOYSA-N 0 3 155.226 0.527 20 0 ACADHN CCN(CC)C(=O)OC1CNC1 86230786 325611113 /nfs/dbraw/zinc/61/11/13/325611113.db2.gz FRBNJBXGZHUPML-UHFFFAOYSA-N 0 3 172.228 0.437 20 0 ACADHN OCCCNCc1ccc(F)cn1 129965507 325622942 /nfs/dbraw/zinc/62/29/42/325622942.db2.gz PVPZBWFBRHPWPB-UHFFFAOYSA-N 0 3 184.214 0.693 20 0 ACADHN CCc1ncnc(NC2CNC2)c1F 234185530 325631173 /nfs/dbraw/zinc/63/11/73/325631173.db2.gz ARFSJGBQIZEADG-UHFFFAOYSA-N 0 3 196.229 0.562 20 0 ACADHN CCn1[nH]c(=O)c2c1CNCC2 258521316 325637921 /nfs/dbraw/zinc/63/79/21/325637921.db2.gz MIVPPJXGJKMWTR-UHFFFAOYSA-N 0 3 167.212 0.254 20 0 ACADHN C[C@H]1OCC[C@@]12NCCc1nc[nH]c12 306793698 325639604 /nfs/dbraw/zinc/63/96/04/325639604.db2.gz GZFWLCHSLNSHOC-GMSGAONNSA-N 0 3 193.250 0.560 20 0 ACADHN C[C@H]1CSC[C@]1(N)c1ncc[nH]1 521401392 325645746 /nfs/dbraw/zinc/64/57/46/325645746.db2.gz KOWIFLUECMIEEP-POYBYMJQSA-N 0 3 183.280 0.947 20 0 ACADHN Cc1cocc1C(=O)NCCN(C)C 527642355 325648822 /nfs/dbraw/zinc/64/88/22/325648822.db2.gz NDHORBBHMDIYCQ-UHFFFAOYSA-N 0 3 196.250 0.879 20 0 ACADHN Cn1nncc1CNCC1CC=CC1 527750202 325649783 /nfs/dbraw/zinc/64/97/83/325649783.db2.gz HLUSIDPNUOFUKL-UHFFFAOYSA-N 0 3 192.266 0.871 20 0 ACADHN Cn1ncc(CNCC2CC=CC2)n1 527746875 325650007 /nfs/dbraw/zinc/65/00/07/325650007.db2.gz XBPGEHOVILYWSX-UHFFFAOYSA-N 0 3 192.266 0.871 20 0 ACADHN Cc1cc(CNCC2COC2)n(C)n1 527821614 325651588 /nfs/dbraw/zinc/65/15/88/325651588.db2.gz VWSICGRFBRXZIA-UHFFFAOYSA-N 0 3 195.266 0.465 20 0 ACADHN CC(C)(N)C(=O)NCC12CC(CO1)C2 528664712 325659471 /nfs/dbraw/zinc/65/94/71/325659471.db2.gz ZZMIWJWRFIPVSG-UHFFFAOYSA-N 0 3 198.266 0.019 20 0 ACADHN CC(C)(N)C(=O)NCC1CC=CC1 528664623 325659735 /nfs/dbraw/zinc/65/97/35/325659735.db2.gz YTSQZXRDYIDISW-UHFFFAOYSA-N 0 3 182.267 0.806 20 0 ACADHN CC[C@H](O)CNCc1cnnn1CC 530236080 325666746 /nfs/dbraw/zinc/66/67/46/325666746.db2.gz NTJCGAHVZUQMED-VIFPVBQESA-N 0 3 198.270 0.159 20 0 ACADHN CN1C(=O)c2ccc(F)cc2[C@H]1CN 536953927 325669663 /nfs/dbraw/zinc/66/96/63/325669663.db2.gz IEUQHNPZUOGNSW-SECBINFHSA-N 0 3 194.209 0.911 20 0 ACADHN CN1C(=O)c2c(F)cccc2[C@H]1CN 536953869 325669769 /nfs/dbraw/zinc/66/97/69/325669769.db2.gz HXVSMHSSYMKFID-MRVPVSSYSA-N 0 3 194.209 0.911 20 0 ACADHN CN1C(=O)c2ccc(F)cc2[C@@H]1CN 536953929 325669774 /nfs/dbraw/zinc/66/97/74/325669774.db2.gz IEUQHNPZUOGNSW-VIFPVBQESA-N 0 3 194.209 0.911 20 0 ACADHN CCn1[nH]c(=O)c2c1CNC[C@H]2C 536954358 325670004 /nfs/dbraw/zinc/67/00/04/325670004.db2.gz MQVKAHJMBPJNLB-ZCFIWIBFSA-N 0 3 181.239 0.815 20 0 ACADHN C[C@H]1CNCc2c1c(=O)[nH]n2C 536954264 325670146 /nfs/dbraw/zinc/67/01/46/325670146.db2.gz MDYVIBOMLSYIRT-YFKPBYRVSA-N 0 3 167.212 0.332 20 0 ACADHN CC(=O)NCC12CCCN(CCC1)C2 536955773 325671161 /nfs/dbraw/zinc/67/11/61/325671161.db2.gz QSSAZTCWYATNSD-UHFFFAOYSA-N 0 3 196.294 0.999 20 0 ACADHN C[C@H]1CNC[C@H](CF)O1 536956620 325671442 /nfs/dbraw/zinc/67/14/42/325671442.db2.gz ZUJQAGOVBUTMDF-WDSKDSINSA-N 0 3 133.166 0.333 20 0 ACADHN C1CN(c2nc3c(s2)CNCC3)C1 536960951 325674098 /nfs/dbraw/zinc/67/40/98/325674098.db2.gz WFOYDJRSIDSIDA-UHFFFAOYSA-N 0 3 195.291 0.999 20 0 ACADHN Cc1cc(NC(=O)CNC2CC2)no1 325651 342933324 /nfs/dbraw/zinc/93/33/24/342933324.db2.gz MRAXIFWOABYVHV-UHFFFAOYSA-N 0 3 195.222 0.674 20 0 ACADHN Cc1cc(NC(=O)CNC(C)C)no1 325650 342933329 /nfs/dbraw/zinc/93/33/29/342933329.db2.gz QIESRIIUHNGSEF-UHFFFAOYSA-N 0 3 197.238 0.920 20 0 ACADHN CCC(=O)N[C@H]1CN2CCC1CC2 557281 342940890 /nfs/dbraw/zinc/94/08/90/342940890.db2.gz OJKNDFVZPOESLS-VIFPVBQESA-N 0 3 182.267 0.607 20 0 ACADHN CCC(=O)N[C@@H]1CN2CCC1CC2 557282 342940916 /nfs/dbraw/zinc/94/09/16/342940916.db2.gz OJKNDFVZPOESLS-SECBINFHSA-N 0 3 182.267 0.607 20 0 ACADHN CN(C)C(=O)CN1CCCC1 3619362 342982861 /nfs/dbraw/zinc/98/28/61/342982861.db2.gz BZJKLHUJNFWUID-UHFFFAOYSA-N 0 3 156.229 0.170 20 0 ACADHN C[C@H]1OC2(CCN(C)CC2)CC1=O 3801948 342984794 /nfs/dbraw/zinc/98/47/94/342984794.db2.gz OODDNJQTVFMGCF-MRVPVSSYSA-N 0 3 183.251 0.829 20 0 in-vivo ACADHN CCOC(=O)CSCCN(C)C 6463489 343014819 /nfs/dbraw/zinc/01/48/19/343014819.db2.gz RVHICYHQTNMREL-UHFFFAOYSA-N 0 3 191.296 0.844 20 0 ACADHN C[C@H](N)C(=O)NCc1cccs1 11953708 343027018 /nfs/dbraw/zinc/02/70/18/343027018.db2.gz OULLORWMNBICET-LURJTMIESA-N 0 3 184.264 0.712 20 0 ACADHN CCCCCNC(=O)CN 11957123 343027025 /nfs/dbraw/zinc/02/70/25/343027025.db2.gz IMQUQJCTWDGRHT-UHFFFAOYSA-N 0 3 144.218 0.252 20 0 ACADHN C[C@H](N)C(=O)NCCc1cccs1 11957478 343027547 /nfs/dbraw/zinc/02/75/47/343027547.db2.gz KIHIPNAUSIPCDM-ZETCQYMHSA-N 0 3 198.291 0.754 20 0 ACADHN CCCCCNC(=O)[C@H](C)N 11958000 343027603 /nfs/dbraw/zinc/02/76/03/343027603.db2.gz XITIWNUYCSVDOK-ZETCQYMHSA-N 0 3 158.245 0.640 20 0 in-vitro ACADHN CCCNC(=O)[C@@H](N)[C@H](C)CC 11959174 343027788 /nfs/dbraw/zinc/02/77/88/343027788.db2.gz HTYIIBJDYXOJTP-SFYZADRCSA-N 0 3 172.272 0.886 20 0 ACADHN CC[C@H](C)[C@H](N)C(=O)NC1CC1 11959190 343027909 /nfs/dbraw/zinc/02/79/09/343027909.db2.gz NQSNGBWJNAVLNR-XPUUQOCRSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@H](N)C(=O)N(C)c1ccccc1 11957587 343027913 /nfs/dbraw/zinc/02/79/13/343027913.db2.gz OUOVZEZYZZDHTI-QMMMGPOBSA-N 0 3 178.235 0.997 20 0 ACADHN CN(C)C(=O)CN1CCCCC1 12652530 343031931 /nfs/dbraw/zinc/03/19/31/343031931.db2.gz WUBCEBRHIRLDIT-UHFFFAOYSA-N 0 3 170.256 0.561 20 0 ACADHN CNC(=S)NC1CCN(C)CC1 13775600 343037563 /nfs/dbraw/zinc/03/75/63/343037563.db2.gz BYMNXYVCHSUXHO-UHFFFAOYSA-N 0 3 187.312 0.175 20 0 ACADHN Cc1noc(C2=CCCNC2)n1 13820912 343037802 /nfs/dbraw/zinc/03/78/02/343037802.db2.gz PEWBVSNHYPKIQA-UHFFFAOYSA-N 0 3 165.196 0.755 20 0 ACADHN CN(CC(N)=O)C1CCCCC1 14218084 343038105 /nfs/dbraw/zinc/03/81/05/343038105.db2.gz HZECPSBWNIUGGT-UHFFFAOYSA-N 0 3 170.256 0.736 20 0 ACADHN C[C@H]1CCC[C@H](C)N1CC(N)=O 14194248 343038213 /nfs/dbraw/zinc/03/82/13/343038213.db2.gz VEZDWVYSLBUJNR-YUMQZZPRSA-N 0 3 170.256 0.735 20 0 ACADHN C[C@H]1CCC[C@@H](C)N1CC(N)=O 14194247 343038250 /nfs/dbraw/zinc/03/82/50/343038250.db2.gz VEZDWVYSLBUJNR-OCAPTIKFSA-N 0 3 170.256 0.735 20 0 ACADHN CN1C(=O)C[C@@H](NC2CCCC2)C1=O 14292635 343038734 /nfs/dbraw/zinc/03/87/34/343038734.db2.gz QSIRUNLMDXSIDP-MRVPVSSYSA-N 0 3 196.250 0.276 20 0 ACADHN CN1C(=O)C[C@@H](NC(C)(C)C)C1=O 14292669 343038830 /nfs/dbraw/zinc/03/88/30/343038830.db2.gz WWVHRKFZTKTOGV-ZCFIWIBFSA-N 0 3 184.239 0.132 20 0 ACADHN CCC(C)(C)N(C)CC(N)=O 17712674 343047494 /nfs/dbraw/zinc/04/74/94/343047494.db2.gz WIOCHFULWGUSIG-UHFFFAOYSA-N 0 3 158.245 0.592 20 0 ACADHN CCCNC(=O)CNC(C)C 19392896 343054027 /nfs/dbraw/zinc/05/40/27/343054027.db2.gz UIGBNJBZMIPPEE-UHFFFAOYSA-N 0 3 158.245 0.511 20 0 ACADHN CC(C)N(C)C(=O)[C@@H]1CCCCN1 19412541 343054340 /nfs/dbraw/zinc/05/43/40/343054340.db2.gz QDEJIIHEMOHSPY-VIFPVBQESA-N 0 3 184.283 0.995 20 0 ACADHN CC(C)N(C)C(=O)[C@H]1CCCCN1 19412543 343054368 /nfs/dbraw/zinc/05/43/68/343054368.db2.gz QDEJIIHEMOHSPY-SECBINFHSA-N 0 3 184.283 0.995 20 0 ACADHN CC(C)NCC(=O)NCC1CC1 19407326 343054481 /nfs/dbraw/zinc/05/44/81/343054481.db2.gz DJKGMTNAPDNKGU-UHFFFAOYSA-N 0 3 170.256 0.511 20 0 ACADHN CC(C)[C@@H](N)C(=O)NCC(F)(F)F 19437719 343055038 /nfs/dbraw/zinc/05/50/38/343055038.db2.gz TZXNBUGETSLVSM-RXMQYKEDSA-N 0 3 198.188 0.648 20 0 ACADHN CNCC(=O)N[C@@H]1CCCC[C@@H]1C 19431894 343055057 /nfs/dbraw/zinc/05/50/57/343055057.db2.gz AFPOVTKDNRETPZ-DTWKUNHWSA-N 0 3 184.283 0.901 20 0 ACADHN CNCC(=O)N[C@H]1CCCC[C@H]1C 19431900 343055163 /nfs/dbraw/zinc/05/51/63/343055163.db2.gz AFPOVTKDNRETPZ-BDAKNGLRSA-N 0 3 184.283 0.901 20 0 ACADHN CNCC(=O)N[C@@H]1CCCC[C@H]1C 19431898 343055203 /nfs/dbraw/zinc/05/52/03/343055203.db2.gz AFPOVTKDNRETPZ-RKDXNWHRSA-N 0 3 184.283 0.901 20 0 ACADHN CC(C)[C@H](N)C(=O)NCC(F)(F)F 19437721 343055265 /nfs/dbraw/zinc/05/52/65/343055265.db2.gz TZXNBUGETSLVSM-YFKPBYRVSA-N 0 3 198.188 0.648 20 0 ACADHN CNCC(=O)N[C@H]1CCCC[C@@H]1C 19431896 343055270 /nfs/dbraw/zinc/05/52/70/343055270.db2.gz AFPOVTKDNRETPZ-IUCAKERBSA-N 0 3 184.283 0.901 20 0 ACADHN CCCCCNC(=O)[C@@H](C)N 19475975 343055514 /nfs/dbraw/zinc/05/55/14/343055514.db2.gz XITIWNUYCSVDOK-SSDOTTSWSA-N 0 3 158.245 0.640 20 0 ACADHN C[C@H]1C[C@H](C)CN(C(=O)CN)C1 19473603 343055519 /nfs/dbraw/zinc/05/55/19/343055519.db2.gz HXDDYMWEWOFXKX-YUMQZZPRSA-N 0 3 170.256 0.450 20 0 ACADHN CCCCN(CC)C(=O)CN 19474848 343055787 /nfs/dbraw/zinc/05/57/87/343055787.db2.gz UJCSPHQSQACNLY-UHFFFAOYSA-N 0 3 158.245 0.594 20 0 ACADHN CCC(CC)NC(=O)CN 19472144 343055914 /nfs/dbraw/zinc/05/59/14/343055914.db2.gz YSWKYWOJWFYJLC-UHFFFAOYSA-N 0 3 144.218 0.250 20 0 ACADHN CC(C)[C@@H](N)C(=O)NCC1CC1 19477875 343056120 /nfs/dbraw/zinc/05/61/20/343056120.db2.gz ROHORXPIZSATDY-MRVPVSSYSA-N 0 3 170.256 0.496 20 0 ACADHN C[C@H]1C[C@@H](C)CN(C(=O)[C@@H](C)N)C1 19480399 343056168 /nfs/dbraw/zinc/05/61/68/343056168.db2.gz QRGWYJMYGBGYFA-HRDYMLBCSA-N 0 3 184.283 0.838 20 0 ACADHN Cc1cccc(C(=O)NCC[NH3+])c1[O-] 19485944 343056362 /nfs/dbraw/zinc/05/63/62/343056362.db2.gz LMLLCRPCNHQQOX-UHFFFAOYSA-N 0 3 194.234 0.389 20 0 ACADHN Cc1ccc(C(=O)NCC[NH3+])c([O-])c1 19480658 343056410 /nfs/dbraw/zinc/05/64/10/343056410.db2.gz UATBWRJYLLEXHF-UHFFFAOYSA-N 0 3 194.234 0.389 20 0 ACADHN CNCC(=O)Nc1nc(C)cs1 19503646 343056553 /nfs/dbraw/zinc/05/65/53/343056553.db2.gz RSVINUPJJMMOTG-UHFFFAOYSA-N 0 3 185.252 0.609 20 0 ACADHN CNC(=O)C[C@H](N)c1ccccc1 19505622 343056603 /nfs/dbraw/zinc/05/66/03/343056603.db2.gz RWXOHDDTUTYSHC-VIFPVBQESA-N 0 3 178.235 0.823 20 0 in-vitro ACADHN CNCC(=O)Nc1ccccn1 19502696 343056619 /nfs/dbraw/zinc/05/66/19/343056619.db2.gz OUCDYFHXCQMQCW-UHFFFAOYSA-N 0 3 165.196 0.240 20 0 ACADHN CNCC(=O)NCCc1cccs1 19503274 343056636 /nfs/dbraw/zinc/05/66/36/343056636.db2.gz JGKIJGKQZNGZKG-UHFFFAOYSA-N 0 3 198.291 0.626 20 0 ACADHN CC[C@H](C)[C@H](N)C(=O)NCC1CC1 19508287 343056671 /nfs/dbraw/zinc/05/66/71/343056671.db2.gz KSUOODFYBLHIOO-CBAPKCEASA-N 0 3 184.283 0.886 20 0 ACADHN CNC(=O)C[C@@H](N)c1ccccc1 19505621 343056721 /nfs/dbraw/zinc/05/67/21/343056721.db2.gz RWXOHDDTUTYSHC-SECBINFHSA-N 0 3 178.235 0.823 20 0 in-vitro ACADHN CNCC(=O)NCc1ccccc1F 19509134 343056756 /nfs/dbraw/zinc/05/67/56/343056756.db2.gz FURLTFBZHYJCJH-UHFFFAOYSA-N 0 3 196.225 0.661 20 0 ACADHN CNCC(=O)NC1CCC(C)CC1 19508659 343056791 /nfs/dbraw/zinc/05/67/91/343056791.db2.gz PLRZBWSSRYBXLL-UHFFFAOYSA-N 0 3 184.283 0.901 20 0 ACADHN CNCC(=O)N1[C@@H](C)CCC[C@H]1C 19519795 343057428 /nfs/dbraw/zinc/05/74/28/343057428.db2.gz GDXMQTSXDUTGLQ-DTORHVGOSA-N 0 3 184.283 0.995 20 0 ACADHN CNCC(=O)N1[C@H](C)CCC[C@H]1C 19519796 343057481 /nfs/dbraw/zinc/05/74/81/343057481.db2.gz GDXMQTSXDUTGLQ-RKDXNWHRSA-N 0 3 184.283 0.995 20 0 ACADHN CCCCN(CC)C(=O)[C@@H](C)N 19801794 343060847 /nfs/dbraw/zinc/06/08/47/343060847.db2.gz SAFRNYHHBKECOD-MRVPVSSYSA-N 0 3 172.272 0.982 20 0 ACADHN CN(C)C[C@H](N)c1ccco1 20284140 343071135 /nfs/dbraw/zinc/07/11/35/343071135.db2.gz YORMATAXHWPXGT-ZETCQYMHSA-N 0 3 154.213 0.841 20 0 in-vitro ACADHN CCCCN(CC)C(=O)[C@H](C)N 19801796 343060945 /nfs/dbraw/zinc/06/09/45/343060945.db2.gz SAFRNYHHBKECOD-QMMMGPOBSA-N 0 3 172.272 0.982 20 0 ACADHN CC(C)NCC(=O)N1CCCCC1 19816639 343061177 /nfs/dbraw/zinc/06/11/77/343061177.db2.gz RMSYEOIOIIXDKQ-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CNCC(=O)Nc1ncccc1C 19814071 343061441 /nfs/dbraw/zinc/06/14/41/343061441.db2.gz WNAHUVIOLHIWPC-UHFFFAOYSA-N 0 3 179.223 0.548 20 0 ACADHN CCN[C@H](C)C(=O)N[C@H](C)CC 20363968 343072498 /nfs/dbraw/zinc/07/24/98/343072498.db2.gz ZDHQOLMIFRZAPA-HTQZYQBOSA-N 0 3 172.272 0.899 20 0 ACADHN Cc1nn(C)c(C)c1CNCCCO 20188488 343068681 /nfs/dbraw/zinc/06/86/81/343068681.db2.gz QPMAMIRUDXDJAC-UHFFFAOYSA-N 0 3 197.282 0.509 20 0 ACADHN CC[C@@H](CO)NCc1cnn(C)c1 20195873 343068903 /nfs/dbraw/zinc/06/89/03/343068903.db2.gz LQRIXIALHWCEMN-VIFPVBQESA-N 0 3 183.255 0.281 20 0 ACADHN Cc1noc(C)c1CNCCCO 20253389 343070435 /nfs/dbraw/zinc/07/04/35/343070435.db2.gz FQYWBRSOCPRCCI-UHFFFAOYSA-N 0 3 184.239 0.763 20 0 ACADHN Cc1nc([C@@H](O)CN)cs1 20283335 343070769 /nfs/dbraw/zinc/07/07/69/343070769.db2.gz KGPRDNIYQACYJQ-LURJTMIESA-N 0 3 158.226 0.444 20 0 ACADHN Cc1nc([C@H](O)CN)cs1 20283339 343070931 /nfs/dbraw/zinc/07/09/31/343070931.db2.gz KGPRDNIYQACYJQ-ZCFIWIBFSA-N 0 3 158.226 0.444 20 0 ACADHN CN(C)C[C@@H](N)c1ccco1 20284136 343071268 /nfs/dbraw/zinc/07/12/68/343071268.db2.gz YORMATAXHWPXGT-SSDOTTSWSA-N 0 3 154.213 0.841 20 0 in-vitro ACADHN CCCNC(=O)[C@H](C)NC 20314169 343071588 /nfs/dbraw/zinc/07/15/88/343071588.db2.gz SUTRUHJHTGREAW-LURJTMIESA-N 0 3 144.218 0.121 20 0 ACADHN C[C@H](NC1CC1)C(=O)N(C)C 20308671 343071636 /nfs/dbraw/zinc/07/16/36/343071636.db2.gz QFZKGQDLWHCZQP-LURJTMIESA-N 0 3 156.229 0.215 20 0 ACADHN CCC[C@H](C)NC(=O)[C@H](C)NC 20363877 343072260 /nfs/dbraw/zinc/07/22/60/343072260.db2.gz FLKXMGWNJQCNKU-YUMQZZPRSA-N 0 3 172.272 0.899 20 0 ACADHN CCCCNC(=O)[C@H](C)NCC 20363974 343072280 /nfs/dbraw/zinc/07/22/80/343072280.db2.gz JSRJTALDQSDYSA-QMMMGPOBSA-N 0 3 172.272 0.901 20 0 ACADHN CCN[C@@H](C)C(=O)N[C@H](C)CC 20363966 343072286 /nfs/dbraw/zinc/07/22/86/343072286.db2.gz ZDHQOLMIFRZAPA-SFYZADRCSA-N 0 3 172.272 0.899 20 0 ACADHN CCN[C@@H](C)C(=O)N[C@@H](C)CC 20363963 343072360 /nfs/dbraw/zinc/07/23/60/343072360.db2.gz ZDHQOLMIFRZAPA-YUMQZZPRSA-N 0 3 172.272 0.899 20 0 ACADHN CCC(CC)NC(=O)[C@H](C)NC 20363871 343072388 /nfs/dbraw/zinc/07/23/88/343072388.db2.gz GKZJQVZUAMRGPY-ZETCQYMHSA-N 0 3 172.272 0.899 20 0 ACADHN CCCCNC(=O)[C@@H](C)NCC 20363972 343072458 /nfs/dbraw/zinc/07/24/58/343072458.db2.gz JSRJTALDQSDYSA-MRVPVSSYSA-N 0 3 172.272 0.901 20 0 ACADHN CCC(=O)N1CCCN(C)CC1 20495662 343073898 /nfs/dbraw/zinc/07/38/98/343073898.db2.gz PBLVUPXPKTYWCU-UHFFFAOYSA-N 0 3 170.256 0.561 20 0 ACADHN C[C@H](NCCO)c1ccco1 20597060 343074612 /nfs/dbraw/zinc/07/46/12/343074612.db2.gz XYJWJTXNLVAGEQ-ZETCQYMHSA-N 0 3 155.197 0.923 20 0 ACADHN CN(C)CCNc1cnccn1 21819341 343075490 /nfs/dbraw/zinc/07/54/90/343075490.db2.gz SGNKTJDTJVUZOY-UHFFFAOYSA-N 0 3 166.228 0.450 20 0 ACADHN C[C@H](NCC(N)=O)c1ccccc1 21961955 343076487 /nfs/dbraw/zinc/07/64/87/343076487.db2.gz WDZWHHQRUDMNPR-QMMMGPOBSA-N 0 3 178.235 0.823 20 0 ACADHN C[C@H]1C[C@@H]1C(=O)N1CCCNCC1 21957258 343076556 /nfs/dbraw/zinc/07/65/56/343076556.db2.gz OGLFHBWZTKSPOH-IUCAKERBSA-N 0 3 182.267 0.464 20 0 ACADHN C[C@H]1C[C@H]1C(=O)N1CCCNCC1 21957265 343076566 /nfs/dbraw/zinc/07/65/66/343076566.db2.gz OGLFHBWZTKSPOH-DTWKUNHWSA-N 0 3 182.267 0.464 20 0 ACADHN CCCNCc1ncc[nH]1 22861365 343082233 /nfs/dbraw/zinc/08/22/33/343082233.db2.gz PYDGXHUDWXDYGT-UHFFFAOYSA-N 0 3 139.202 0.909 20 0 ACADHN CN(C)CCNCc1ncc[nH]1 22861454 343082267 /nfs/dbraw/zinc/08/22/67/343082267.db2.gz DUIVOIKSLHTFBX-UHFFFAOYSA-N 0 3 168.244 0.061 20 0 ACADHN CCn1ncc2c1CNCC2 24757030 343086216 /nfs/dbraw/zinc/08/62/16/343086216.db2.gz SPCOSBXEGWVRFH-UHFFFAOYSA-N 0 3 151.213 0.549 20 0 ACADHN Cc1nc(N)nc(N)c1C 25491209 343086417 /nfs/dbraw/zinc/08/64/17/343086417.db2.gz YKPZOMSDVTWDSE-UHFFFAOYSA-N 0 3 138.174 0.258 20 0 in-vitro ACADHN CCn1cc(NC(=O)[C@@H](C)N)cn1 26510711 343089119 /nfs/dbraw/zinc/08/91/19/343089119.db2.gz OFWIJMGHOKUFBA-ZCFIWIBFSA-N 0 3 182.227 0.189 20 0 ACADHN CC(C)n1cc(NC(=O)[C@H](C)N)cn1 26510718 343089189 /nfs/dbraw/zinc/08/91/89/343089189.db2.gz VWJZCLAKZJZJIU-ZETCQYMHSA-N 0 3 196.254 0.750 20 0 ACADHN CCn1cc(NC(=O)[C@H](C)N)cn1 26510714 343089332 /nfs/dbraw/zinc/08/93/32/343089332.db2.gz OFWIJMGHOKUFBA-LURJTMIESA-N 0 3 182.227 0.189 20 0 ACADHN C[C@H](O)CNCc1cccc(O)c1 32007526 343096464 /nfs/dbraw/zinc/09/64/64/343096464.db2.gz QLQQLFJAPVPMPT-QMMMGPOBSA-N 0 3 181.235 0.863 20 0 ACADHN CC[C@H]1CCCCN1CC(N)=O 32023525 343097220 /nfs/dbraw/zinc/09/72/20/343097220.db2.gz PRCIGKJXYCFUCM-QMMMGPOBSA-N 0 3 170.256 0.736 20 0 ACADHN CCCCN(C)[C@H](C)C(N)=O 32016262 343097225 /nfs/dbraw/zinc/09/72/25/343097225.db2.gz BEAOTXCYENZODS-SSDOTTSWSA-N 0 3 158.245 0.592 20 0 ACADHN CC[C@@H]1CCCCN1CC(N)=O 32023521 343097256 /nfs/dbraw/zinc/09/72/56/343097256.db2.gz PRCIGKJXYCFUCM-MRVPVSSYSA-N 0 3 170.256 0.736 20 0 ACADHN CCCCN(C)CC(N)=O 32016236 343097358 /nfs/dbraw/zinc/09/73/58/343097358.db2.gz BZBNXBXCHIJLPG-UHFFFAOYSA-N 0 3 144.218 0.204 20 0 ACADHN CC(=O)NCC1=CCN(C)CC1 32134951 343097902 /nfs/dbraw/zinc/09/79/02/343097902.db2.gz QNTPORJYXBSLLI-UHFFFAOYSA-N 0 3 168.240 0.384 20 0 ACADHN CC1(C)NCCO1 32218057 343101381 /nfs/dbraw/zinc/10/13/81/343101381.db2.gz VSHIRTNKIXRXMI-UHFFFAOYSA-N 0 3 101.149 0.342 20 0 ACADHN CC(=O)N[C@@H](C)C1=CCN(C)CC1 32251430 343101984 /nfs/dbraw/zinc/10/19/84/343101984.db2.gz SIHSVAQPFZTHSX-QMMMGPOBSA-N 0 3 182.267 0.773 20 0 ACADHN CC(=O)N[C@H](C)C1=CCN(C)CC1 32251427 343101993 /nfs/dbraw/zinc/10/19/93/343101993.db2.gz SIHSVAQPFZTHSX-MRVPVSSYSA-N 0 3 182.267 0.773 20 0 ACADHN CN(C)CCNC(=O)n1ccnc1 32628539 343102560 /nfs/dbraw/zinc/10/25/60/343102560.db2.gz IRDMYYYAUPSGDU-UHFFFAOYSA-N 0 3 182.227 0.002 20 0 ACADHN CN1C(=O)[C@@H](N)CC[C@H]1C(F)(F)F 32628964 343102665 /nfs/dbraw/zinc/10/26/65/343102665.db2.gz GABTVEZQCODMOO-WHFBIAKZSA-N 0 3 196.172 0.497 20 0 ACADHN CN1C(=O)[C@H](N)CC[C@H]1C(F)(F)F 32628961 343102667 /nfs/dbraw/zinc/10/26/67/343102667.db2.gz GABTVEZQCODMOO-UHNVWZDZSA-N 0 3 196.172 0.497 20 0 ACADHN CN1C(=O)[C@H](N)CC[C@@H]1C(F)(F)F 32628959 343102690 /nfs/dbraw/zinc/10/26/90/343102690.db2.gz GABTVEZQCODMOO-RFZPGFLSSA-N 0 3 196.172 0.497 20 0 ACADHN CN1C(=O)[C@@H](N)CC[C@@H]1C(F)(F)F 32628963 343102732 /nfs/dbraw/zinc/10/27/32/343102732.db2.gz GABTVEZQCODMOO-CRCLSJGQSA-N 0 3 196.172 0.497 20 0 ACADHN Cc1nn(C)c(C)c1[C@H](N)CO 32629226 343103133 /nfs/dbraw/zinc/10/31/33/343103133.db2.gz BIIPUPABWRBHJS-SSDOTTSWSA-N 0 3 169.228 0.029 20 0 ACADHN Cc1nn(C)c(C)c1[C@@H](N)CO 32629224 343103166 /nfs/dbraw/zinc/10/31/66/343103166.db2.gz BIIPUPABWRBHJS-ZETCQYMHSA-N 0 3 169.228 0.029 20 0 ACADHN Cc1cccn(CCN)c1=O 33513243 343105540 /nfs/dbraw/zinc/10/55/40/343105540.db2.gz IYNSRXJWXCVHLR-UHFFFAOYSA-N 0 3 152.197 0.115 20 0 ACADHN CN(CCO)CCc1cccnc1 34016915 343108798 /nfs/dbraw/zinc/10/87/98/343108798.db2.gz MTSUXCJMRUBSHN-UHFFFAOYSA-N 0 3 180.251 0.548 20 0 ACADHN C[C@H]1CNC[C@@H](C)C1=O 34419565 343118887 /nfs/dbraw/zinc/11/88/87/343118887.db2.gz AMGHHWQPWHGXHB-OLQVQODUSA-N 0 3 127.187 0.431 20 0 ACADHN C[C@H]1CNC[C@H](C)C1=O 34419567 343118902 /nfs/dbraw/zinc/11/89/02/343118902.db2.gz AMGHHWQPWHGXHB-WDSKDSINSA-N 0 3 127.187 0.431 20 0 ACADHN CNCC(=O)Nc1ccc(Cl)nc1 34480810 343120005 /nfs/dbraw/zinc/12/00/05/343120005.db2.gz AIBATFHUGHVZON-UHFFFAOYSA-N 0 3 199.641 0.893 20 0 ACADHN CC(C)[C@H]1CC(=O)CN1 34582288 343122527 /nfs/dbraw/zinc/12/25/27/343122527.db2.gz ZYGOGDDAZGUOGQ-SSDOTTSWSA-N 0 3 127.187 0.573 20 0 ACADHN Cc1noc(C)c1CNC[C@H](C)O 35112572 343127825 /nfs/dbraw/zinc/12/78/25/343127825.db2.gz VAYDQPUOMXDGIN-LURJTMIESA-N 0 3 184.239 0.762 20 0 ACADHN Cc1nn(C)c(C)c1CNC[C@@H](C)O 35112553 343127956 /nfs/dbraw/zinc/12/79/56/343127956.db2.gz PGJZPFSOYOZICF-SSDOTTSWSA-N 0 3 197.282 0.507 20 0 ACADHN CN(CCO)CCc1ccccn1 35102042 343128048 /nfs/dbraw/zinc/12/80/48/343128048.db2.gz XKBDLUQAHMKDTC-UHFFFAOYSA-N 0 3 180.251 0.548 20 0 ACADHN Cc1ccc(CNC(=O)CN)cc1F 35099646 343128063 /nfs/dbraw/zinc/12/80/63/343128063.db2.gz BEZQZCCZVCQREQ-UHFFFAOYSA-N 0 3 196.225 0.709 20 0 ACADHN Cc1nn(C)c(C)c1CNC[C@H](C)O 35112555 343128165 /nfs/dbraw/zinc/12/81/65/343128165.db2.gz PGJZPFSOYOZICF-ZETCQYMHSA-N 0 3 197.282 0.507 20 0 ACADHN CN(Cc1cccs1)C(=O)CN 35122319 343128241 /nfs/dbraw/zinc/12/82/41/343128241.db2.gz GKJTZFGTZYCTAT-UHFFFAOYSA-N 0 3 184.264 0.665 20 0 ACADHN CNCC(=O)N(C)Cc1ccco1 35122317 343128516 /nfs/dbraw/zinc/12/85/16/343128516.db2.gz JYEVSMQEAHBLMT-UHFFFAOYSA-N 0 3 182.223 0.457 20 0 ACADHN CNCC(=O)N(C)Cc1cccs1 35122316 343128545 /nfs/dbraw/zinc/12/85/45/343128545.db2.gz BXVMPAAQEYIIAR-UHFFFAOYSA-N 0 3 198.291 0.926 20 0 ACADHN C[C@H](NC(=O)CN)c1cccs1 35138326 343129122 /nfs/dbraw/zinc/12/91/22/343129122.db2.gz OHMAUJGISJHHQN-LURJTMIESA-N 0 3 184.264 0.884 20 0 ACADHN CCCCCCNC(=O)CNC 35151042 343129512 /nfs/dbraw/zinc/12/95/12/343129512.db2.gz RPQBHDFVPFBOFK-UHFFFAOYSA-N 0 3 172.272 0.902 20 0 ACADHN CCCCCCNC(=O)CN 35216811 343130202 /nfs/dbraw/zinc/13/02/02/343130202.db2.gz JNOXDCCBNQUYKV-UHFFFAOYSA-N 0 3 158.245 0.642 20 0 ACADHN Cc1noc(C)c1CN[C@@H](C)CO 35602221 343133555 /nfs/dbraw/zinc/13/35/55/343133555.db2.gz LTINYWWKRBZOIY-LURJTMIESA-N 0 3 184.239 0.762 20 0 ACADHN Cc1noc(C)c1CN[C@H](C)CO 35602222 343133837 /nfs/dbraw/zinc/13/38/37/343133837.db2.gz LTINYWWKRBZOIY-ZCFIWIBFSA-N 0 3 184.239 0.762 20 0 ACADHN Cc1nn(C)c(C)c1CN[C@@H](C)CO 35602391 343133968 /nfs/dbraw/zinc/13/39/68/343133968.db2.gz CNFJDTTZTGBQJP-ZETCQYMHSA-N 0 3 197.282 0.507 20 0 ACADHN Cc1nn(C)c(C)c1CN[C@H](C)CO 35602392 343134157 /nfs/dbraw/zinc/13/41/57/343134157.db2.gz CNFJDTTZTGBQJP-SSDOTTSWSA-N 0 3 197.282 0.507 20 0 ACADHN C[C@H](CO)NCc1ccco1 35603601 343134220 /nfs/dbraw/zinc/13/42/20/343134220.db2.gz KBSZIFIQGUSUAY-SSDOTTSWSA-N 0 3 155.197 0.750 20 0 ACADHN C[C@H](CO)NCc1ccc(O)cc1 35603837 343134256 /nfs/dbraw/zinc/13/42/56/343134256.db2.gz BEPMWPMWVULHAO-MRVPVSSYSA-N 0 3 181.235 0.863 20 0 ACADHN C[C@H](CO)NCc1cccc(O)c1 35602622 343134309 /nfs/dbraw/zinc/13/43/09/343134309.db2.gz IRQDLFDJYCYPNK-MRVPVSSYSA-N 0 3 181.235 0.863 20 0 ACADHN C[C@H]1CN(CCCCO)C[C@@H](C)O1 35649754 343135111 /nfs/dbraw/zinc/13/51/11/343135111.db2.gz ZQXZGDBTCBDWHK-AOOOYVTPSA-N 0 3 187.283 0.868 20 0 ACADHN CCCN1CCN(CCO)CC1 35649804 343135608 /nfs/dbraw/zinc/13/56/08/343135608.db2.gz JJVDPWJWBAAPGG-UHFFFAOYSA-N 0 3 172.272 0.006 20 0 ACADHN CNCC(=O)N[C@H](C)c1ccccn1 35694960 343136957 /nfs/dbraw/zinc/13/69/57/343136957.db2.gz DHNWSASXOYXYGS-MRVPVSSYSA-N 0 3 193.250 0.478 20 0 ACADHN CNCC(=O)N[C@@H](C)c1ccccn1 35694959 343137053 /nfs/dbraw/zinc/13/70/53/343137053.db2.gz DHNWSASXOYXYGS-QMMMGPOBSA-N 0 3 193.250 0.478 20 0 ACADHN C[C@H](NC(=O)[C@@H](C)N)c1cccnc1 35692198 343137309 /nfs/dbraw/zinc/13/73/09/343137309.db2.gz MILCREPZMMFMKH-SFYZADRCSA-N 0 3 193.250 0.606 20 0 ACADHN C[C@H](NC(=O)[C@@H](C)N)c1ccccn1 35694962 343137359 /nfs/dbraw/zinc/13/73/59/343137359.db2.gz QQBBHWHNZNXGDW-SFYZADRCSA-N 0 3 193.250 0.606 20 0 ACADHN CC(C)[C@@H](N)C(=O)Nc1cnn(C)c1 35738044 343137913 /nfs/dbraw/zinc/13/79/13/343137913.db2.gz ZSYVJMCETVQGBW-MRVPVSSYSA-N 0 3 196.254 0.342 20 0 ACADHN CC(C)[C@H](N)C(=O)Nc1cnn(C)c1 35738043 343137998 /nfs/dbraw/zinc/13/79/98/343137998.db2.gz ZSYVJMCETVQGBW-QMMMGPOBSA-N 0 3 196.254 0.342 20 0 ACADHN CC(C)[C@@H](N)C(=O)Nc1cn[nH]c1 35764246 343138859 /nfs/dbraw/zinc/13/88/59/343138859.db2.gz AYCRJGXSTCDYEC-SSDOTTSWSA-N 0 3 182.227 0.332 20 0 ACADHN CC[C@H](C)[C@H](N)C(=O)Nc1cn[nH]c1 35764241 343138901 /nfs/dbraw/zinc/13/89/01/343138901.db2.gz WSPFSYILWWBDHK-XPUUQOCRSA-N 0 3 196.254 0.722 20 0 ACADHN CC(C)[C@H](N)C(=O)Nc1cn[nH]c1 35764245 343139032 /nfs/dbraw/zinc/13/90/32/343139032.db2.gz AYCRJGXSTCDYEC-ZETCQYMHSA-N 0 3 182.227 0.332 20 0 ACADHN C[C@@H]1CN(CCCCO)[C@H](C)CO1 35788933 343139639 /nfs/dbraw/zinc/13/96/39/343139639.db2.gz XRBIYUXIPXTAKS-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@H]1CN(CCCCO)[C@H](C)CO1 35788936 343139828 /nfs/dbraw/zinc/13/98/28/343139828.db2.gz XRBIYUXIPXTAKS-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN CCC(CC)[C@H](N)C(N)=O 35986243 343140111 /nfs/dbraw/zinc/14/01/11/343140111.db2.gz CLAXIFCMUUAOFR-LURJTMIESA-N 0 3 144.218 0.235 20 0 ACADHN Cc1nnc([C@@H]2CCCN2)o1 36154336 343140361 /nfs/dbraw/zinc/14/03/61/343140361.db2.gz BLXQYIORYQVKFE-LURJTMIESA-N 0 3 153.185 0.803 20 0 ACADHN Cc1nnc([C@H]2CCCN2)o1 36154338 343140424 /nfs/dbraw/zinc/14/04/24/343140424.db2.gz BLXQYIORYQVKFE-ZCFIWIBFSA-N 0 3 153.185 0.803 20 0 ACADHN CC[C@H]1CCCN(C(=O)CNC)C1 36169755 343141093 /nfs/dbraw/zinc/14/10/93/343141093.db2.gz CHSPOMYIGZBKCQ-VIFPVBQESA-N 0 3 184.283 0.854 20 0 ACADHN CC[C@H]1CCCN(C(=O)[C@@H](C)N)C1 36169717 343141176 /nfs/dbraw/zinc/14/11/76/343141176.db2.gz ZIDGKTBXTQZMPY-BDAKNGLRSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@@H]1CCCN(C(=O)[C@@H](C)N)C1 36169716 343141234 /nfs/dbraw/zinc/14/12/34/343141234.db2.gz ZIDGKTBXTQZMPY-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@H]1CCCN(C(=O)[C@H](C)N)C1 36169719 343141411 /nfs/dbraw/zinc/14/14/11/343141411.db2.gz ZIDGKTBXTQZMPY-IUCAKERBSA-N 0 3 184.283 0.982 20 0 ACADHN Cc1cc(CN(C)C(=O)[C@@H](C)N)no1 36200378 343141692 /nfs/dbraw/zinc/14/16/92/343141692.db2.gz MXWLUOMWUIWUNL-SSDOTTSWSA-N 0 3 197.238 0.289 20 0 ACADHN CCOCCNC(=O)[C@@H](N)C(C)C 36230166 343142134 /nfs/dbraw/zinc/14/21/34/343142134.db2.gz MSUHFHFSBDVHRQ-QMMMGPOBSA-N 0 3 188.271 0.122 20 0 ACADHN CC[C@@H]1COCCN1CCCCO 36327604 343144481 /nfs/dbraw/zinc/14/44/81/343144481.db2.gz XLCFORPGBFMANT-SNVBAGLBSA-N 0 3 187.283 0.870 20 0 ACADHN CC[C@H]1COCCN1CCCCO 36327605 343144496 /nfs/dbraw/zinc/14/44/96/343144496.db2.gz XLCFORPGBFMANT-JTQLQIEISA-N 0 3 187.283 0.870 20 0 ACADHN CCN1CCN(C[C@H]2CCCO2)CC1 36372862 343144515 /nfs/dbraw/zinc/14/45/15/343144515.db2.gz MRVPMWUQFMUHBS-LLVKDONJSA-N 0 3 198.310 0.803 20 0 ACADHN CCN1CCN(C[C@@H]2CCCO2)CC1 36372861 343144592 /nfs/dbraw/zinc/14/45/92/343144592.db2.gz MRVPMWUQFMUHBS-NSHDSACASA-N 0 3 198.310 0.803 20 0 ACADHN Cc1cc(CN)n2nc(C)cc2n1 36379935 343144941 /nfs/dbraw/zinc/14/49/41/343144941.db2.gz WBMDTOVVOVQRMF-UHFFFAOYSA-N 0 3 176.223 0.805 20 0 ACADHN CC[C@H]1CCCN1C(=O)CNC 37915024 343181752 /nfs/dbraw/zinc/18/17/52/343181752.db2.gz RMJSMLVYEGLUKD-QMMMGPOBSA-N 0 3 170.256 0.607 20 0 ACADHN CNCC(=O)N(C)Cc1ccccn1 36778348 343149899 /nfs/dbraw/zinc/14/98/99/343149899.db2.gz QPFMECWPTUQXRL-UHFFFAOYSA-N 0 3 193.250 0.259 20 0 ACADHN Cc1ccc(CNC(=O)[C@@H](C)N)n1C 36810610 343150459 /nfs/dbraw/zinc/15/04/59/343150459.db2.gz PWPPDBQCMDYLOU-MRVPVSSYSA-N 0 3 195.266 0.297 20 0 ACADHN Cc1ccc(CNC(=O)[C@H](C)N)n1C 36810611 343150678 /nfs/dbraw/zinc/15/06/78/343150678.db2.gz PWPPDBQCMDYLOU-QMMMGPOBSA-N 0 3 195.266 0.297 20 0 ACADHN Cc1n[nH]c(C)c1CNCCCO 36864767 343150910 /nfs/dbraw/zinc/15/09/10/343150910.db2.gz JIXJXIAQEXVPEU-UHFFFAOYSA-N 0 3 183.255 0.499 20 0 ACADHN Cc1n[nH]c(C)c1CN[C@H](C)CO 36864853 343150956 /nfs/dbraw/zinc/15/09/56/343150956.db2.gz AIRNFVICIFMFLV-ZCFIWIBFSA-N 0 3 183.255 0.497 20 0 ACADHN CC(C)N[C@H]1CC(=O)N(C2CC2)C1=O 36850861 343150976 /nfs/dbraw/zinc/15/09/76/343150976.db2.gz XXCPEWMXZVQEJY-QMMMGPOBSA-N 0 3 196.250 0.274 20 0 ACADHN Cc1n[nH]c(C)c1CNC[C@H](C)O 36864851 343150983 /nfs/dbraw/zinc/15/09/83/343150983.db2.gz OLOUSAHDWUAYAZ-LURJTMIESA-N 0 3 183.255 0.497 20 0 ACADHN Cc1n[nH]c(C)c1CN[C@@H](C)CO 36864852 343151053 /nfs/dbraw/zinc/15/10/53/343151053.db2.gz AIRNFVICIFMFLV-LURJTMIESA-N 0 3 183.255 0.497 20 0 ACADHN CC[C@H](N)C(=O)N1CCC(C)CC1 36870988 343151083 /nfs/dbraw/zinc/15/10/83/343151083.db2.gz UHEXNCPFICDKHC-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN Cc1n[nH]c(C)c1CNC[C@@H](C)O 36864850 343151108 /nfs/dbraw/zinc/15/11/08/343151108.db2.gz OLOUSAHDWUAYAZ-ZCFIWIBFSA-N 0 3 183.255 0.497 20 0 ACADHN Cc1n[nH]c(C)c1CNCCO 36864822 343151272 /nfs/dbraw/zinc/15/12/72/343151272.db2.gz LEGAQTILLGSWLP-UHFFFAOYSA-N 0 3 169.228 0.108 20 0 ACADHN COCCNCc1c(C)n[nH]c1C 36864469 343151306 /nfs/dbraw/zinc/15/13/06/343151306.db2.gz VZIZIXTWPPQLPQ-UHFFFAOYSA-N 0 3 183.255 0.763 20 0 ACADHN CC[C@@H](N)C(=O)N1CCC[C@H](C)C1 36871039 343151379 /nfs/dbraw/zinc/15/13/79/343151379.db2.gz GWHLVUQRGJGHMQ-DTWKUNHWSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@@H](N)C(=O)Nc1c(C)n[nH]c1C 36871764 343151421 /nfs/dbraw/zinc/15/14/21/343151421.db2.gz LIRLRUVFFZSHIO-SSDOTTSWSA-N 0 3 196.254 0.702 20 0 ACADHN CC[C@H](N)C(=O)Nc1cccnc1 36871050 343151426 /nfs/dbraw/zinc/15/14/26/343151426.db2.gz UZQPAQQRKCKLOJ-QMMMGPOBSA-N 0 3 179.223 0.757 20 0 ACADHN CC[C@H](N)C(=O)NCC(C)C 36871024 343151445 /nfs/dbraw/zinc/15/14/45/343151445.db2.gz QVEJFAILBHEQTO-ZETCQYMHSA-N 0 3 158.245 0.496 20 0 ACADHN CC[C@@H](N)C(=O)NC1CC1 36871023 343151456 /nfs/dbraw/zinc/15/14/56/343151456.db2.gz JNRFPFOCTWDZAD-ZCFIWIBFSA-N 0 3 142.202 0.002 20 0 ACADHN CC[C@H](N)C(=O)Nc1cnn(C)c1 36871739 343151497 /nfs/dbraw/zinc/15/14/97/343151497.db2.gz UQIQLOZAJIQQME-ZETCQYMHSA-N 0 3 182.227 0.096 20 0 ACADHN CC[C@H](N)C(=O)NC(C)(C)C 36871004 343151501 /nfs/dbraw/zinc/15/15/01/343151501.db2.gz UZURASSTNINCOO-LURJTMIESA-N 0 3 158.245 0.638 20 0 ACADHN CC[C@H](N)C(=O)NC1CC1 36871022 343151508 /nfs/dbraw/zinc/15/15/08/343151508.db2.gz JNRFPFOCTWDZAD-LURJTMIESA-N 0 3 142.202 0.002 20 0 ACADHN CC[C@H](N)C(=O)NCC(F)(F)F 36871442 343151518 /nfs/dbraw/zinc/15/15/18/343151518.db2.gz ULAINBVFDMRUKQ-BYPYZUCNSA-N 0 3 184.161 0.402 20 0 ACADHN CC[C@@H](N)C(=O)Nc1cccnc1 36871051 343151541 /nfs/dbraw/zinc/15/15/41/343151541.db2.gz UZQPAQQRKCKLOJ-MRVPVSSYSA-N 0 3 179.223 0.757 20 0 ACADHN CC[C@H](N)C(=O)Nc1cnn(CC)c1 36871751 343151560 /nfs/dbraw/zinc/15/15/60/343151560.db2.gz GNCPZWRDOJATKS-QMMMGPOBSA-N 0 3 196.254 0.579 20 0 ACADHN CC[C@@H](N)C(=O)N1CCC[C@@H](C)C1 36871041 343151575 /nfs/dbraw/zinc/15/15/75/343151575.db2.gz GWHLVUQRGJGHMQ-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@@H](N)C(=O)Nc1nccs1 36870999 343151591 /nfs/dbraw/zinc/15/15/91/343151591.db2.gz LCBJKYNHEDHPSW-RXMQYKEDSA-N 0 3 185.252 0.819 20 0 ACADHN CC[C@@H](N)C(=O)Nc1cnn(C)c1 36871740 343151601 /nfs/dbraw/zinc/15/16/01/343151601.db2.gz UQIQLOZAJIQQME-SSDOTTSWSA-N 0 3 182.227 0.096 20 0 ACADHN CC[C@@H](N)C(=O)Nc1cn[nH]c1 36871744 343151609 /nfs/dbraw/zinc/15/16/09/343151609.db2.gz FKQWEGXYCLEPKU-ZCFIWIBFSA-N 0 3 168.200 0.086 20 0 ACADHN CC[C@H](N)C(=O)Nc1cn[nH]c1 36871743 343151615 /nfs/dbraw/zinc/15/16/15/343151615.db2.gz FKQWEGXYCLEPKU-LURJTMIESA-N 0 3 168.200 0.086 20 0 ACADHN CC[C@@H](N)C(=O)NC1CCCC1 36871027 343151668 /nfs/dbraw/zinc/15/16/68/343151668.db2.gz XOUWETLRILTSFD-MRVPVSSYSA-N 0 3 170.256 0.783 20 0 ACADHN CC[C@H](N)C(=O)Nc1c(C)n[nH]c1C 36871763 343151691 /nfs/dbraw/zinc/15/16/91/343151691.db2.gz LIRLRUVFFZSHIO-ZETCQYMHSA-N 0 3 196.254 0.702 20 0 ACADHN CC[C@H](N)C(=O)Nc1nccs1 36870998 343151694 /nfs/dbraw/zinc/15/16/94/343151694.db2.gz LCBJKYNHEDHPSW-YFKPBYRVSA-N 0 3 185.252 0.819 20 0 ACADHN CC[C@@H](N)C(=O)NC1CCOCC1 36871904 343151707 /nfs/dbraw/zinc/15/17/07/343151707.db2.gz NMKAJBMOVZUVMB-MRVPVSSYSA-N 0 3 186.255 0.019 20 0 ACADHN CC[C@@H](N)C(=O)NCC(F)(F)F 36871443 343151714 /nfs/dbraw/zinc/15/17/14/343151714.db2.gz ULAINBVFDMRUKQ-SCSAIBSYSA-N 0 3 184.161 0.402 20 0 ACADHN CC[C@H](N)C(=O)N1CCC[C@H](C)C1 36871038 343151719 /nfs/dbraw/zinc/15/17/19/343151719.db2.gz GWHLVUQRGJGHMQ-IUCAKERBSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@H](N)C(=O)NC1CCCC1 36871026 343151730 /nfs/dbraw/zinc/15/17/30/343151730.db2.gz XOUWETLRILTSFD-QMMMGPOBSA-N 0 3 170.256 0.783 20 0 ACADHN CC[C@H](N)C(=O)N(CC)CC 36871002 343151740 /nfs/dbraw/zinc/15/17/40/343151740.db2.gz WXYGMIMPKDAELC-ZETCQYMHSA-N 0 3 158.245 0.592 20 0 ACADHN CC[C@H](N)C(=O)N(C)C1CC1 36871605 343151788 /nfs/dbraw/zinc/15/17/88/343151788.db2.gz ITTXRNNFASCPCJ-ZETCQYMHSA-N 0 3 156.229 0.345 20 0 ACADHN CC[C@H](N)C(=O)N1CCC[C@@H](C)C1 36871040 343151794 /nfs/dbraw/zinc/15/17/94/343151794.db2.gz GWHLVUQRGJGHMQ-BDAKNGLRSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@@H](N)C(=O)NC(C)(C)C 36871005 343151816 /nfs/dbraw/zinc/15/18/16/343151816.db2.gz UZURASSTNINCOO-ZCFIWIBFSA-N 0 3 158.245 0.638 20 0 ACADHN CC[C@@H](N)C(=O)Nc1cnn(CC)c1 36871752 343151857 /nfs/dbraw/zinc/15/18/57/343151857.db2.gz GNCPZWRDOJATKS-MRVPVSSYSA-N 0 3 196.254 0.579 20 0 ACADHN CCc1nc(CNC)[nH]c1C 36877313 343152711 /nfs/dbraw/zinc/15/27/11/343152711.db2.gz ZDFJSYULIGIGGH-UHFFFAOYSA-N 0 3 153.229 1.000 20 0 ACADHN CCc1[nH]c(CNC)nc1C 36877313 343152712 /nfs/dbraw/zinc/15/27/12/343152712.db2.gz ZDFJSYULIGIGGH-UHFFFAOYSA-N 0 3 153.229 1.000 20 0 ACADHN CCOCCCNCc1cc[nH]n1 36900083 343153165 /nfs/dbraw/zinc/15/31/65/343153165.db2.gz NDDZXSAKPQOCKW-UHFFFAOYSA-N 0 3 183.255 0.926 20 0 ACADHN CN(C)C(C)(C)CNCc1cc[nH]n1 36900148 343153244 /nfs/dbraw/zinc/15/32/44/343153244.db2.gz SQLXPPUAQSKPJQ-UHFFFAOYSA-N 0 3 196.298 0.840 20 0 ACADHN CC(C)NCc1cc[nH]n1 36899945 343153361 /nfs/dbraw/zinc/15/33/61/343153361.db2.gz OJWKNCWUKMNBJB-UHFFFAOYSA-N 0 3 139.202 0.908 20 0 ACADHN c1cc(CNCCN2CCCC2)n[nH]1 36900155 343153452 /nfs/dbraw/zinc/15/34/52/343153452.db2.gz LBUZENXNQQEFRE-UHFFFAOYSA-N 0 3 194.282 0.595 20 0 ACADHN Cc1ccc([C@H](N)CC(N)=O)s1 36906777 343153587 /nfs/dbraw/zinc/15/35/87/343153587.db2.gz PYTVBKRXSYQMNC-ZCFIWIBFSA-N 0 3 184.264 0.932 20 0 ACADHN Cc1n[nH]cc1CNC1CC1 36901384 343153610 /nfs/dbraw/zinc/15/36/10/343153610.db2.gz USNWUMUWXPPWTK-UHFFFAOYSA-N 0 3 151.213 0.970 20 0 ACADHN Cc1n[nH]cc1CNCCN(C)C 36901386 343153635 /nfs/dbraw/zinc/15/36/35/343153635.db2.gz BHBFKIVPZDJJJL-UHFFFAOYSA-N 0 3 182.271 0.369 20 0 ACADHN CC(C)NCc1ccnn1C 36901031 343153753 /nfs/dbraw/zinc/15/37/53/343153753.db2.gz ALUURCWUHNPSAB-UHFFFAOYSA-N 0 3 153.229 0.918 20 0 ACADHN COC[C@H](C)NCc1ccnn1C 36901060 343153804 /nfs/dbraw/zinc/15/38/04/343153804.db2.gz YTZPQCNYDHMECW-QMMMGPOBSA-N 0 3 183.255 0.545 20 0 ACADHN Cc1n[nH]cc1CNCCCO 36901668 343153828 /nfs/dbraw/zinc/15/38/28/343153828.db2.gz AKWRQYXXIUHCRZ-UHFFFAOYSA-N 0 3 169.228 0.190 20 0 ACADHN COC[C@@H](C)NCc1ccnn1C 36901061 343153865 /nfs/dbraw/zinc/15/38/65/343153865.db2.gz YTZPQCNYDHMECW-MRVPVSSYSA-N 0 3 183.255 0.545 20 0 ACADHN CC[C@@H](CO)NCc1ccnn1C 36901284 343153871 /nfs/dbraw/zinc/15/38/71/343153871.db2.gz NWPAZZZPHCXHDA-QMMMGPOBSA-N 0 3 183.255 0.281 20 0 ACADHN CC[C@H](CO)NCc1ccnn1C 36901285 343153912 /nfs/dbraw/zinc/15/39/12/343153912.db2.gz NWPAZZZPHCXHDA-MRVPVSSYSA-N 0 3 183.255 0.281 20 0 ACADHN Cc1n[nH]cc1CNC[C@@H](C)O 36901749 343153918 /nfs/dbraw/zinc/15/39/18/343153918.db2.gz DTQQJCBVNAEHDU-ZCFIWIBFSA-N 0 3 169.228 0.189 20 0 ACADHN CC[C@@H](CO)NCc1c[nH]nc1C 36901677 343153950 /nfs/dbraw/zinc/15/39/50/343153950.db2.gz SERSORGRZCIAOG-VIFPVBQESA-N 0 3 183.255 0.579 20 0 ACADHN Cc1n[nH]cc1CNC[C@H](C)O 36901750 343153959 /nfs/dbraw/zinc/15/39/59/343153959.db2.gz DTQQJCBVNAEHDU-LURJTMIESA-N 0 3 169.228 0.189 20 0 ACADHN CC[C@H](CO)NCc1c[nH]nc1C 36901678 343154058 /nfs/dbraw/zinc/15/40/58/343154058.db2.gz SERSORGRZCIAOG-SECBINFHSA-N 0 3 183.255 0.579 20 0 ACADHN CNCC(=O)Nc1cccnc1OC 37030633 343158058 /nfs/dbraw/zinc/15/80/58/343158058.db2.gz QSVSMSILESJHMA-UHFFFAOYSA-N 0 3 195.222 0.248 20 0 ACADHN CC[C@H](C)[C@H](N)C(=O)N(C)C1CC1 37081205 343158555 /nfs/dbraw/zinc/15/85/55/343158555.db2.gz IPHWTGQQBSUMKT-CBAPKCEASA-N 0 3 184.283 0.981 20 0 ACADHN CC(C)[C@H](N)C(=O)N(C)C1CC1 37081210 343158578 /nfs/dbraw/zinc/15/85/78/343158578.db2.gz ITMAPLZVLOKSGC-QMMMGPOBSA-N 0 3 170.256 0.591 20 0 ACADHN CN(C(=O)[C@H]1CCCCN1)C1CC1 37081222 343158653 /nfs/dbraw/zinc/15/86/53/343158653.db2.gz ICUIGFVYDVQTTH-SECBINFHSA-N 0 3 182.267 0.749 20 0 ACADHN CN(C(=O)[C@@H]1CCCCN1)C1CC1 37081221 343158690 /nfs/dbraw/zinc/15/86/90/343158690.db2.gz ICUIGFVYDVQTTH-VIFPVBQESA-N 0 3 182.267 0.749 20 0 ACADHN COC(=O)CCN(C)C1CC1 37081343 343158738 /nfs/dbraw/zinc/15/87/38/343158738.db2.gz ZEODCYKKKJVKKR-UHFFFAOYSA-N 0 3 157.213 0.644 20 0 ACADHN CC(C)[C@@H](N)C(=O)N(C)C1CC1 37081211 343158761 /nfs/dbraw/zinc/15/87/61/343158761.db2.gz ITMAPLZVLOKSGC-MRVPVSSYSA-N 0 3 170.256 0.591 20 0 ACADHN COC(=O)[C@H](C)NCc1cn[nH]c1C 37074125 343158841 /nfs/dbraw/zinc/15/88/41/343158841.db2.gz FVYOCYHDOJKPNX-ZETCQYMHSA-N 0 3 197.238 0.369 20 0 ACADHN CCCN(C)C(=O)[C@H]1CCCCN1 37098528 343159570 /nfs/dbraw/zinc/15/95/70/343159570.db2.gz LLLKTPMYTDIRBZ-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CCCN(C)C(=O)[C@@H]1CCCCN1 37098527 343159664 /nfs/dbraw/zinc/15/96/64/343159664.db2.gz LLLKTPMYTDIRBZ-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CCN(CC(C)C)C(=O)CNC 37111706 343160379 /nfs/dbraw/zinc/16/03/79/343160379.db2.gz MLIQQIOJRMNCIP-UHFFFAOYSA-N 0 3 172.272 0.710 20 0 ACADHN CNCC(=O)N(C)[C@H]1CCSC1 37175065 343161917 /nfs/dbraw/zinc/16/19/17/343161917.db2.gz OQEPAHMWVHJNQN-ZETCQYMHSA-N 0 3 188.296 0.170 20 0 ACADHN C[C@H](N)C(=O)N(C)[C@@H]1CCSC1 37175066 343162119 /nfs/dbraw/zinc/16/21/19/343162119.db2.gz FJKPJYSZKGENHM-NKWVEPMBSA-N 0 3 188.296 0.298 20 0 ACADHN CNCC(=O)N(C)[C@@H]1CCSC1 37175064 343162183 /nfs/dbraw/zinc/16/21/83/343162183.db2.gz OQEPAHMWVHJNQN-SSDOTTSWSA-N 0 3 188.296 0.170 20 0 ACADHN C[C@H](N)C(=O)NCC1CCC1 37180830 343162323 /nfs/dbraw/zinc/16/23/23/343162323.db2.gz MNEABMYRXGDCAN-LURJTMIESA-N 0 3 156.229 0.250 20 0 ACADHN CNCC(=O)NCC1CCC1 37180828 343162308 /nfs/dbraw/zinc/16/23/08/343162308.db2.gz LGVGGYLUFZIDJV-UHFFFAOYSA-N 0 3 156.229 0.122 20 0 ACADHN CC(C)[C@@H](N)C(=O)NCC1CCC1 37180836 343162357 /nfs/dbraw/zinc/16/23/57/343162357.db2.gz URKCUKDABWXTBI-SECBINFHSA-N 0 3 184.283 0.886 20 0 ACADHN CC(C)[C@H](N)C(=O)NCC1CCC1 37180834 343162464 /nfs/dbraw/zinc/16/24/64/343162464.db2.gz URKCUKDABWXTBI-VIFPVBQESA-N 0 3 184.283 0.886 20 0 ACADHN CN(C)C(=O)CN[C@H]1CCSC1 37207472 343162852 /nfs/dbraw/zinc/16/28/52/343162852.db2.gz MQWPDLICVMSNDU-ZETCQYMHSA-N 0 3 188.296 0.170 20 0 ACADHN CN(C)C(=O)CN[C@@H]1CCSC1 37207471 343162954 /nfs/dbraw/zinc/16/29/54/343162954.db2.gz MQWPDLICVMSNDU-SSDOTTSWSA-N 0 3 188.296 0.170 20 0 ACADHN CNCC(=O)N[C@H]1CCC[C@H](C)C1 37256184 343164684 /nfs/dbraw/zinc/16/46/84/343164684.db2.gz ZYTTZSONCZTHPR-IUCAKERBSA-N 0 3 184.283 0.901 20 0 ACADHN CNCC(=O)N[C@@H]1CCC[C@H](C)C1 37256188 343164790 /nfs/dbraw/zinc/16/47/90/343164790.db2.gz ZYTTZSONCZTHPR-DTWKUNHWSA-N 0 3 184.283 0.901 20 0 ACADHN C[C@H]1CCC[C@H](NC(=O)CN)C1 37256246 343164856 /nfs/dbraw/zinc/16/48/56/343164856.db2.gz HXTPXLMQCSGMPC-YUMQZZPRSA-N 0 3 170.256 0.640 20 0 ACADHN CNCC(=O)N[C@@H]1CCC[C@@H](C)C1 37256186 343164886 /nfs/dbraw/zinc/16/48/86/343164886.db2.gz ZYTTZSONCZTHPR-RKDXNWHRSA-N 0 3 184.283 0.901 20 0 ACADHN C[C@H](N)C(=O)NCC1CCCC1 37258770 343164936 /nfs/dbraw/zinc/16/49/36/343164936.db2.gz XIZAHUQPHNTZCQ-ZETCQYMHSA-N 0 3 170.256 0.640 20 0 ACADHN CC(C)NCC(=O)NCc1ccco1 37386961 343167292 /nfs/dbraw/zinc/16/72/92/343167292.db2.gz HHYBWLPIRRTWIP-UHFFFAOYSA-N 0 3 196.250 0.894 20 0 ACADHN CC(C)NCC(=O)NCC(F)(F)F 37385955 343167310 /nfs/dbraw/zinc/16/73/10/343167310.db2.gz UNXWZTRODFOKLF-UHFFFAOYSA-N 0 3 198.188 0.663 20 0 ACADHN CN(C)Cc1ccc(C(N)=O)cc1 37389125 343167681 /nfs/dbraw/zinc/16/76/81/343167681.db2.gz XKTWAQDVPXLADF-UHFFFAOYSA-N 0 3 178.235 0.847 20 0 ACADHN CCCCNC(=O)CNC(C)C 37389693 343167697 /nfs/dbraw/zinc/16/76/97/343167697.db2.gz OKEBUBOYMFYSCV-UHFFFAOYSA-N 0 3 172.272 0.901 20 0 ACADHN CC(C)[C@@H](N)C(=O)Nc1ccn(C)n1 37471747 343169880 /nfs/dbraw/zinc/16/98/80/343169880.db2.gz CIMMIVZCMAZVLN-MRVPVSSYSA-N 0 3 196.254 0.342 20 0 ACADHN CC(C)[C@H](N)C(=O)Nc1ccn(C)n1 37471746 343169913 /nfs/dbraw/zinc/16/99/13/343169913.db2.gz CIMMIVZCMAZVLN-QMMMGPOBSA-N 0 3 196.254 0.342 20 0 ACADHN CC[C@@H](N)C(=O)Nc1ccn(C)n1 37471776 343169968 /nfs/dbraw/zinc/16/99/68/343169968.db2.gz JWGKWKSCHFGKJD-ZCFIWIBFSA-N 0 3 182.227 0.096 20 0 ACADHN CC[C@H](N)C(=O)Nc1ccn(C)n1 37471775 343170060 /nfs/dbraw/zinc/17/00/60/343170060.db2.gz JWGKWKSCHFGKJD-LURJTMIESA-N 0 3 182.227 0.096 20 0 ACADHN CCCNC(=O)C1(N)CCCC1 37479334 343170684 /nfs/dbraw/zinc/17/06/84/343170684.db2.gz AFCLNTWOXPFBIU-UHFFFAOYSA-N 0 3 170.256 0.784 20 0 ACADHN CN(C(=O)C1(N)CCCC1)C1CC1 37479445 343170736 /nfs/dbraw/zinc/17/07/36/343170736.db2.gz OQMFGXQVYFOEHF-UHFFFAOYSA-N 0 3 182.267 0.879 20 0 ACADHN CC(C)NC(=O)C1(N)CCCC1 37479343 343170843 /nfs/dbraw/zinc/17/08/43/343170843.db2.gz LBWYHGSNIQBKCD-UHFFFAOYSA-N 0 3 170.256 0.783 20 0 ACADHN CC(C)NCC(=O)Nc1ccn(C)n1 37477241 343171001 /nfs/dbraw/zinc/17/10/01/343171001.db2.gz CKZINBBIZFAQRC-UHFFFAOYSA-N 0 3 196.254 0.357 20 0 ACADHN CNCC(=O)NCc1ccccc1C 37488052 343171247 /nfs/dbraw/zinc/17/12/47/343171247.db2.gz YFSBQFRNWQJYEX-UHFFFAOYSA-N 0 3 192.262 0.831 20 0 ACADHN CN1CC[C@@H](CNc2ncccn2)C1 37485184 343171404 /nfs/dbraw/zinc/17/14/04/343171404.db2.gz JHKFHZIPMBMPAD-VIFPVBQESA-N 0 3 192.266 0.840 20 0 ACADHN CN1CC[C@H](CNc2ncccn2)C1 37485183 343171685 /nfs/dbraw/zinc/17/16/85/343171685.db2.gz JHKFHZIPMBMPAD-SECBINFHSA-N 0 3 192.266 0.840 20 0 ACADHN CC1CCC(N(C)C(=O)CN)CC1 37498055 343171922 /nfs/dbraw/zinc/17/19/22/343171922.db2.gz JIRPNGGQLSJUSV-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN CCC[C@@H](C)N(C)C(=O)CNC 37505103 343171927 /nfs/dbraw/zinc/17/19/27/343171927.db2.gz LMIYBVPLBRPJKG-MRVPVSSYSA-N 0 3 172.272 0.853 20 0 ACADHN CCC[C@H](C)N(C)C(=O)CNC 37505104 343171932 /nfs/dbraw/zinc/17/19/32/343171932.db2.gz LMIYBVPLBRPJKG-QMMMGPOBSA-N 0 3 172.272 0.853 20 0 ACADHN CCN(C(=O)CNC1CC1)C1CC1 37654649 343172701 /nfs/dbraw/zinc/17/27/01/343172701.db2.gz NJUSGPVQWVXBAJ-UHFFFAOYSA-N 0 3 182.267 0.749 20 0 ACADHN CC[C@H](O)CN1CCN(CC)CC1 37693781 343175094 /nfs/dbraw/zinc/17/50/94/343175094.db2.gz IQSHUHVHVSBKQJ-JTQLQIEISA-N 0 3 186.299 0.395 20 0 ACADHN CC[C@@H](O)CN1CCN(CC)CC1 37693782 343175141 /nfs/dbraw/zinc/17/51/41/343175141.db2.gz IQSHUHVHVSBKQJ-SNVBAGLBSA-N 0 3 186.299 0.395 20 0 ACADHN C[C@H](O)CN(C)CCc1ccccn1 37693796 343175166 /nfs/dbraw/zinc/17/51/66/343175166.db2.gz JFMDWWPHEPMVBV-JTQLQIEISA-N 0 3 194.278 0.937 20 0 ACADHN C[C@@H](O)CN(C)CCc1ccccn1 37693797 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CNCC(=O)N1CC[C@@H](C)C1 40724599 343222355 /nfs/dbraw/zinc/22/23/55/343222355.db2.gz ZFLFTTSYDOLKPM-SSDOTTSWSA-N 0 3 156.229 0.074 20 0 ACADHN CC(C)[C@@H](N)C(=O)N1CC[C@@H](C)C1 40724587 343222415 /nfs/dbraw/zinc/22/24/15/343222415.db2.gz UKTZCJRGKOORIH-RKDXNWHRSA-N 0 3 184.283 0.838 20 0 ACADHN CC[C@@H](N)C(=O)N1CC[C@H](C)C1 40724724 343222425 /nfs/dbraw/zinc/22/24/25/343222425.db2.gz HRDDRTKTGPPUIH-JGVFFNPUSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 40724543 343222434 /nfs/dbraw/zinc/22/24/34/343222434.db2.gz CHETVPJXRVFWCN-UWVGGRQHSA-N 0 3 196.294 0.997 20 0 ACADHN CC(C)OCCCNC(=O)[C@@H](C)N 40830500 343223272 /nfs/dbraw/zinc/22/32/72/343223272.db2.gz HUIAGSGAEYOCSX-MRVPVSSYSA-N 0 3 188.271 0.265 20 0 ACADHN CCn1cc(NC(=O)C(C)(C)N)cn1 40920746 343224138 /nfs/dbraw/zinc/22/41/38/343224138.db2.gz PBBLRZWRTKJUKX-UHFFFAOYSA-N 0 3 196.254 0.579 20 0 ACADHN CN(C(=O)C(C)(C)N)C1CC1 40920533 343224156 /nfs/dbraw/zinc/22/41/56/343224156.db2.gz UELOSLFWKCPVGD-UHFFFAOYSA-N 0 3 156.229 0.345 20 0 ACADHN Cc1cc(NC(=O)C(C)(C)N)n(C)n1 40920286 343224208 /nfs/dbraw/zinc/22/42/08/343224208.db2.gz OEUNXTOYZMVAKU-UHFFFAOYSA-N 0 3 196.254 0.404 20 0 ACADHN C[C@H]1CCN(C(=O)C(C)(C)N)C1 40924959 343224328 /nfs/dbraw/zinc/22/43/28/343224328.db2.gz JPQSMEDDHINUKP-ZETCQYMHSA-N 0 3 170.256 0.592 20 0 ACADHN CN(Cc1ccco1)C(=O)C(C)(C)N 40920703 343224379 /nfs/dbraw/zinc/22/43/79/343224379.db2.gz WVECCFSIAOEACS-UHFFFAOYSA-N 0 3 196.250 0.975 20 0 ACADHN Cc1nc(CNC(=O)[C@H](C)N)cs1 41011287 343225109 /nfs/dbraw/zinc/22/51/09/343225109.db2.gz DNSHWKNOZBCXAI-YFKPBYRVSA-N 0 3 199.279 0.415 20 0 ACADHN Cc1ncc(CNC(=O)[C@H](C)N)s1 40998449 343225130 /nfs/dbraw/zinc/22/51/30/343225130.db2.gz WEWBFRGIEZDHIF-YFKPBYRVSA-N 0 3 199.279 0.415 20 0 ACADHN Cc1nc(CNC(=O)[C@@H](C)N)cs1 41011285 343225239 /nfs/dbraw/zinc/22/52/39/343225239.db2.gz DNSHWKNOZBCXAI-RXMQYKEDSA-N 0 3 199.279 0.415 20 0 ACADHN Cc1ncc(CNC(=O)CN)s1 40998437 343225258 /nfs/dbraw/zinc/22/52/58/343225258.db2.gz DHIUDUMREMSVDL-UHFFFAOYSA-N 0 3 185.252 0.026 20 0 ACADHN Cc1ncc(CNC(=O)[C@@H](C)N)s1 40998448 343225271 /nfs/dbraw/zinc/22/52/71/343225271.db2.gz WEWBFRGIEZDHIF-RXMQYKEDSA-N 0 3 199.279 0.415 20 0 ACADHN Cc1ccc(NCCN(C)C)nn1 41045016 343226639 /nfs/dbraw/zinc/22/66/39/343226639.db2.gz BYILGQRFOOWYHX-UHFFFAOYSA-N 0 3 180.255 0.759 20 0 ACADHN Cc1cc(CNC2CC2)n[nH]1 41050786 343227509 /nfs/dbraw/zinc/22/75/09/343227509.db2.gz KRHNGLVBJYWMMP-UHFFFAOYSA-N 0 3 151.213 0.970 20 0 ACADHN Cc1cc(CNC2CC2)[nH]n1 41050786 343227511 /nfs/dbraw/zinc/22/75/11/343227511.db2.gz KRHNGLVBJYWMMP-UHFFFAOYSA-N 0 3 151.213 0.970 20 0 ACADHN Cc1cc(CNC2CC2)n(C)n1 41050852 343227657 /nfs/dbraw/zinc/22/76/57/343227657.db2.gz VOVNYQGVLGLPMI-UHFFFAOYSA-N 0 3 165.240 0.981 20 0 ACADHN CN(CC[NH3+])C(=O)c1ccccc1[O-] 41055326 343229360 /nfs/dbraw/zinc/22/93/60/343229360.db2.gz WAYDUWDKBWKPEJ-UHFFFAOYSA-N 0 3 194.234 0.423 20 0 ACADHN CN(C(=O)CN)C(C)(C)C 41167027 343230633 /nfs/dbraw/zinc/23/06/33/343230633.db2.gz XYUNEDJWTGJONZ-UHFFFAOYSA-N 0 3 144.218 0.202 20 0 ACADHN CCN1CCN(CCCOC)CC1 41203587 343231916 /nfs/dbraw/zinc/23/19/16/343231916.db2.gz MJUUHMWBJSTKTF-UHFFFAOYSA-N 0 3 186.299 0.660 20 0 ACADHN C[C@H](CC(N)=O)NCc1cccnc1 41206251 343232517 /nfs/dbraw/zinc/23/25/17/343232517.db2.gz XXYAXXQPWWGBKG-MRVPVSSYSA-N 0 3 193.250 0.435 20 0 ACADHN C[C@H](CC(N)=O)NCc1ccccn1 41206249 343232591 /nfs/dbraw/zinc/23/25/91/343232591.db2.gz SRTAMGZSMFQXDD-MRVPVSSYSA-N 0 3 193.250 0.435 20 0 ACADHN C[C@@H](CC(N)=O)NCc1ccccn1 41206248 343232616 /nfs/dbraw/zinc/23/26/16/343232616.db2.gz SRTAMGZSMFQXDD-QMMMGPOBSA-N 0 3 193.250 0.435 20 0 ACADHN C[C@H](CC(N)=O)NCc1ccncc1 41206253 343232674 /nfs/dbraw/zinc/23/26/74/343232674.db2.gz HYINJNSKZZRPLN-MRVPVSSYSA-N 0 3 193.250 0.435 20 0 ACADHN C[C@@H](CC(N)=O)NCc1cccnc1 41206250 343232741 /nfs/dbraw/zinc/23/27/41/343232741.db2.gz XXYAXXQPWWGBKG-QMMMGPOBSA-N 0 3 193.250 0.435 20 0 ACADHN C[C@@H](CC(N)=O)NCc1ccncc1 41206252 343232856 /nfs/dbraw/zinc/23/28/56/343232856.db2.gz HYINJNSKZZRPLN-QMMMGPOBSA-N 0 3 193.250 0.435 20 0 ACADHN C[C@H](C(=O)N(C)C)N1CCCC1 41362256 343232888 /nfs/dbraw/zinc/23/28/88/343232888.db2.gz LSTJYFZCRCLLPJ-MRVPVSSYSA-N 0 3 170.256 0.559 20 0 ACADHN CNC(=O)CN1CCC[C@@H](C)C1 41362756 343232913 /nfs/dbraw/zinc/23/29/13/343232913.db2.gz PJZWZMMGBQUECY-MRVPVSSYSA-N 0 3 170.256 0.464 20 0 ACADHN CCNC(=O)CN1CCCC[C@H]1C 41362592 343232979 /nfs/dbraw/zinc/23/29/79/343232979.db2.gz ZYKZAWTZDZMYCL-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CNC(=O)CN1CCC[C@H](C)C1 41362758 343232966 /nfs/dbraw/zinc/23/29/66/343232966.db2.gz PJZWZMMGBQUECY-QMMMGPOBSA-N 0 3 170.256 0.464 20 0 ACADHN CCNC(=O)CN1CCCC[C@@H]1C 41362590 343232987 /nfs/dbraw/zinc/23/29/87/343232987.db2.gz ZYKZAWTZDZMYCL-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN C[C@H](C(=O)N(C)C)N1CCCCC1 41362337 343233042 /nfs/dbraw/zinc/23/30/42/343233042.db2.gz UZLMBTBWAGDOHJ-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CC1CCN(CC(=O)N(C)C)CC1 41362405 343233086 /nfs/dbraw/zinc/23/30/86/343233086.db2.gz NUYVMTHOYSJQLO-UHFFFAOYSA-N 0 3 184.283 0.807 20 0 ACADHN C[C@@H](C(=O)N(C)C)N1CCCC1 41362254 343233177 /nfs/dbraw/zinc/23/31/77/343233177.db2.gz LSTJYFZCRCLLPJ-QMMMGPOBSA-N 0 3 170.256 0.559 20 0 ACADHN C[C@@H](C(=O)N(C)C)N1CCCCC1 41362335 343233284 /nfs/dbraw/zinc/23/32/84/343233284.db2.gz UZLMBTBWAGDOHJ-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN CCNC(=O)CSCCN(C)C 41366066 343234073 /nfs/dbraw/zinc/23/40/73/343234073.db2.gz PAAGVRQPIJWTRL-UHFFFAOYSA-N 0 3 190.312 0.417 20 0 ACADHN CCN(CC)CC(=O)N1CCCC1 41392036 343234366 /nfs/dbraw/zinc/23/43/66/343234366.db2.gz QGAXCXFDFDQONR-UHFFFAOYSA-N 0 3 184.283 0.951 20 0 ACADHN CCOCCN1CCC(O)CC1 41366897 343234455 /nfs/dbraw/zinc/23/44/55/343234455.db2.gz WKBABWQTVFVQQK-UHFFFAOYSA-N 0 3 173.256 0.480 20 0 ACADHN CCN(CC)[C@@H](C)C(=O)N(C)C 41392064 343234466 /nfs/dbraw/zinc/23/44/66/343234466.db2.gz HXOLJMPWRMYHPB-QMMMGPOBSA-N 0 3 172.272 0.805 20 0 ACADHN CCN(CC)[C@H](C)C(=O)N(C)C 41392066 343234587 /nfs/dbraw/zinc/23/45/87/343234587.db2.gz HXOLJMPWRMYHPB-MRVPVSSYSA-N 0 3 172.272 0.805 20 0 ACADHN CCN(CC)CC(=O)NC1CC1 41392042 343234633 /nfs/dbraw/zinc/23/46/33/343234633.db2.gz CRRJXXVCVGKUMN-UHFFFAOYSA-N 0 3 170.256 0.607 20 0 ACADHN Cc1nnc([C@H]2CCCN2)n1C 42013827 343236497 /nfs/dbraw/zinc/23/64/97/343236497.db2.gz ONRPCYNTXWDIAL-SSDOTTSWSA-N 0 3 166.228 0.548 20 0 ACADHN Cc1nnc([C@@H]2CCCN2)n1C 42013826 343236572 /nfs/dbraw/zinc/23/65/72/343236572.db2.gz ONRPCYNTXWDIAL-ZETCQYMHSA-N 0 3 166.228 0.548 20 0 ACADHN C[C@H](N)C(=O)NC1(C)CCCC1 42187981 343237841 /nfs/dbraw/zinc/23/78/41/343237841.db2.gz DIXIUPMDBSGSDS-ZETCQYMHSA-N 0 3 170.256 0.783 20 0 ACADHN CCCCNC(=O)CNCCOC 42211593 343237923 /nfs/dbraw/zinc/23/79/23/343237923.db2.gz LYJYJGMBWPHQQH-UHFFFAOYSA-N 0 3 188.271 0.139 20 0 ACADHN CC1(NC(=O)CN)CCCC1 42187959 343238043 /nfs/dbraw/zinc/23/80/43/343238043.db2.gz QDDBGIFKWJOUGX-UHFFFAOYSA-N 0 3 156.229 0.394 20 0 ACADHN CNCC(=O)NC1(C)CCCC1 42187985 343238064 /nfs/dbraw/zinc/23/80/64/343238064.db2.gz AJPAZRYMMFYOJS-UHFFFAOYSA-N 0 3 170.256 0.655 20 0 ACADHN CNCC(=O)Nc1nc(C)c(C)s1 42229045 343238528 /nfs/dbraw/zinc/23/85/28/343238528.db2.gz NSXXLZGMYLCBNK-UHFFFAOYSA-N 0 3 199.279 0.918 20 0 ACADHN C[C@H]1CCC[C@@H](C)N1C(=O)CN 42237590 343238828 /nfs/dbraw/zinc/23/88/28/343238828.db2.gz TZTBZIQFGCASMX-OCAPTIKFSA-N 0 3 170.256 0.735 20 0 ACADHN CNCC(=O)NC(C1CC1)C1CC1 42237585 343238847 /nfs/dbraw/zinc/23/88/47/343238847.db2.gz LPJHJQKFKMNAJR-UHFFFAOYSA-N 0 3 182.267 0.511 20 0 ACADHN CC(C)CCN(C)CC(N)=O 42250376 343239032 /nfs/dbraw/zinc/23/90/32/343239032.db2.gz WATPHPJXHAGPRT-UHFFFAOYSA-N 0 3 158.245 0.450 20 0 ACADHN C[C@H]1CCC[C@H](C)N1C(=O)CN 42237591 343239110 /nfs/dbraw/zinc/23/91/10/343239110.db2.gz TZTBZIQFGCASMX-YUMQZZPRSA-N 0 3 170.256 0.735 20 0 ACADHN COCCN(CCO)C1CC1 42295399 343239271 /nfs/dbraw/zinc/23/92/71/343239271.db2.gz FYLFPRXGLNHFTN-UHFFFAOYSA-N 0 3 159.229 0.090 20 0 ACADHN C[C@H](CN1CCCCC1)NC(N)=O 42295760 343239344 /nfs/dbraw/zinc/23/93/44/343239344.db2.gz ISLYGNKCVSYOFX-MRVPVSSYSA-N 0 3 185.271 0.529 20 0 ACADHN COC(=O)CCN(CCO)C1CC1 42267451 343239435 /nfs/dbraw/zinc/23/94/35/343239435.db2.gz DNNQBTDNCWOORK-UHFFFAOYSA-N 0 3 187.239 0.006 20 0 ACADHN CC(C)CN(CCN(C)C)C(N)=O 42266162 343239449 /nfs/dbraw/zinc/23/94/49/343239449.db2.gz CTFNGSAIBOOWSE-UHFFFAOYSA-N 0 3 187.287 0.585 20 0 ACADHN COC(=O)[C@@H](C)NCc1cn[nH]c1C 42304537 343240017 /nfs/dbraw/zinc/24/00/17/343240017.db2.gz FVYOCYHDOJKPNX-SSDOTTSWSA-N 0 3 197.238 0.369 20 0 ACADHN COCCN(CCCO)C1CC1 42338012 343240460 /nfs/dbraw/zinc/24/04/60/343240460.db2.gz CMDXGNSRVIUCHW-UHFFFAOYSA-N 0 3 173.256 0.480 20 0 ACADHN COCCN(C)C[C@@H](C)C(=O)OC 42338029 343240610 /nfs/dbraw/zinc/24/06/10/343240610.db2.gz NQNZLZPKVJQTBC-MRVPVSSYSA-N 0 3 189.255 0.374 20 0 ACADHN CN(CCCO)C[C@H]1CCCO1 42338146 343240642 /nfs/dbraw/zinc/24/06/42/343240642.db2.gz IPOQSMIBWFBBBJ-SECBINFHSA-N 0 3 173.256 0.480 20 0 ACADHN OCCCN1CCN(CC2CC2)CC1 42338196 343240691 /nfs/dbraw/zinc/24/06/91/343240691.db2.gz QFGJXGZPUXEWLQ-UHFFFAOYSA-N 0 3 198.310 0.396 20 0 ACADHN CN(CCCO)C[C@H]1CCCCO1 42372367 343241022 /nfs/dbraw/zinc/24/10/22/343241022.db2.gz JRSRSYZFWMQGAR-SNVBAGLBSA-N 0 3 187.283 0.870 20 0 ACADHN CC(C)[C@@H](N)C(=O)Nc1cc[nH]n1 42414782 343241576 /nfs/dbraw/zinc/24/15/76/343241576.db2.gz GJQDKAQBGIMAIH-SSDOTTSWSA-N 0 3 182.227 0.332 20 0 ACADHN CC(C)NCC(=O)Nc1cc[nH]n1 42414824 343241590 /nfs/dbraw/zinc/24/15/90/343241590.db2.gz IUJYIDPESIMFJE-UHFFFAOYSA-N 0 3 182.227 0.346 20 0 ACADHN CC[C@@H](N)C(=O)Nc1cc[nH]n1 42414818 343241655 /nfs/dbraw/zinc/24/16/55/343241655.db2.gz MVVRKXLTBPTQEU-RXMQYKEDSA-N 0 3 168.200 0.086 20 0 ACADHN CC[C@H](C)[C@H](N)C(=O)Nc1cc[nH]n1 42414748 343241694 /nfs/dbraw/zinc/24/16/94/343241694.db2.gz YFFUWKIIHMFPPO-XPUUQOCRSA-N 0 3 196.254 0.722 20 0 ACADHN CC[C@H](N)C(=O)Nc1cc[nH]n1 42414817 343241951 /nfs/dbraw/zinc/24/19/51/343241951.db2.gz MVVRKXLTBPTQEU-YFKPBYRVSA-N 0 3 168.200 0.086 20 0 ACADHN C[C@H](N)C(=O)N1CCCSCC1 42444670 343242746 /nfs/dbraw/zinc/24/27/46/343242746.db2.gz NJGXMFHBPVCDEC-ZETCQYMHSA-N 0 3 188.296 0.299 20 0 ACADHN CC[C@@H](O)CN(C)CCOC 42459992 343243275 /nfs/dbraw/zinc/24/32/75/343243275.db2.gz ONAIDJFTOTYHKQ-MRVPVSSYSA-N 0 3 161.245 0.336 20 0 ACADHN CC[C@@H]1CO[C@@H](C)CN1C[C@@H](C)O 42451409 343243300 /nfs/dbraw/zinc/24/33/00/343243300.db2.gz ZGTOLZKJMRILCE-KXUCPTDWSA-N 0 3 187.283 0.867 20 0 ACADHN CC1(C)COCCN1CCCCO 42462722 343243735 /nfs/dbraw/zinc/24/37/35/343243735.db2.gz GBWLMUQENAYLEA-UHFFFAOYSA-N 0 3 187.283 0.870 20 0 ACADHN C[C@H](O)CN(C)C[C@@H]1CCCCO1 42465193 343243862 /nfs/dbraw/zinc/24/38/62/343243862.db2.gz CPTUOWFTOHXNMP-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H](O)CN1CCOCC1(C)C 42462734 343243889 /nfs/dbraw/zinc/24/38/89/343243889.db2.gz QERTYHOMKSLBEQ-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H](O)CN1CCOCC1(C)C 42462732 343243918 /nfs/dbraw/zinc/24/39/18/343243918.db2.gz QERTYHOMKSLBEQ-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN CCN(CCOC)CCC(=O)OC 42493655 343244375 /nfs/dbraw/zinc/24/43/75/343244375.db2.gz ZCTIRXOKVKUIPD-UHFFFAOYSA-N 0 3 189.255 0.518 20 0 ACADHN CN(CCCCO)Cc1cnn(C)c1 42489170 343244491 /nfs/dbraw/zinc/24/44/91/343244491.db2.gz NQPVHWCWTKEUEQ-UHFFFAOYSA-N 0 3 197.282 0.624 20 0 ACADHN C[C@H]1CCC[C@H](N(C)C(=O)CN)C1 42494769 343244955 /nfs/dbraw/zinc/24/49/55/343244955.db2.gz DXNBMXUYJSDHCC-IUCAKERBSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H]1CCC[C@@H](N(C)C(=O)CN)C1 42494773 343245010 /nfs/dbraw/zinc/24/50/10/343245010.db2.gz DXNBMXUYJSDHCC-DTWKUNHWSA-N 0 3 184.283 0.982 20 0 ACADHN CN1CC[C@@H](NCc2ccccn2)C1 42544821 343245419 /nfs/dbraw/zinc/24/54/19/343245419.db2.gz SLFSMJLXSJHUSP-LLVKDONJSA-N 0 3 191.278 0.875 20 0 ACADHN CN1CC[C@@H](NCc2cc[nH]n2)C1 42545569 343246064 /nfs/dbraw/zinc/24/60/64/343246064.db2.gz NRJIXTBJSDGRHS-SECBINFHSA-N 0 3 180.255 0.203 20 0 ACADHN CN1CC[C@@H](NCc2ccnn2C)C1 42545571 343246132 /nfs/dbraw/zinc/24/61/32/343246132.db2.gz VSRDEDVLWGZEJE-SECBINFHSA-N 0 3 194.282 0.214 20 0 ACADHN CCCN(CC(N)=O)C1CC1 43639151 343257749 /nfs/dbraw/zinc/25/77/49/343257749.db2.gz KAURXAFQQGEQLO-UHFFFAOYSA-N 0 3 156.229 0.346 20 0 ACADHN CN1CC[C@H](NCc2ccnn2C)C1 42545573 343246278 /nfs/dbraw/zinc/24/62/78/343246278.db2.gz VSRDEDVLWGZEJE-VIFPVBQESA-N 0 3 194.282 0.214 20 0 ACADHN CN1CC[C@H](NCc2cc[nH]n2)C1 42545567 343246377 /nfs/dbraw/zinc/24/63/77/343246377.db2.gz NRJIXTBJSDGRHS-VIFPVBQESA-N 0 3 180.255 0.203 20 0 ACADHN C[C@H]1CCCC[C@@H]1CNC(=O)CN 42868024 343250155 /nfs/dbraw/zinc/25/01/55/343250155.db2.gz BEVUYNBWTZUYPW-DTWKUNHWSA-N 0 3 184.283 0.888 20 0 ACADHN C[C@H](N)C(=O)NC[C@@H]1CCCCO1 42823310 343250217 /nfs/dbraw/zinc/25/02/17/343250217.db2.gz PSBSBUZJVCTHAG-YUMQZZPRSA-N 0 3 186.255 0.019 20 0 ACADHN C[C@H](N)C(=O)N1CCO[C@@H]2CCC[C@@H]21 43427456 343252183 /nfs/dbraw/zinc/25/21/83/343252183.db2.gz UBPFDWUSBMGPNS-XHNCKOQMSA-N 0 3 198.266 0.114 20 0 ACADHN CC[C@@H]1CCCN1CC(N)=O 43639141 343257729 /nfs/dbraw/zinc/25/77/29/343257729.db2.gz HYVFDKKKEIJSPN-SSDOTTSWSA-N 0 3 156.229 0.346 20 0 ACADHN CC[C@H](C)CN(C)CC(N)=O 43639155 343257818 /nfs/dbraw/zinc/25/78/18/343257818.db2.gz XOXDPPSVLQLVBK-ZETCQYMHSA-N 0 3 158.245 0.450 20 0 ACADHN CC[C@H]1CCCN1CC(N)=O 43639142 343257845 /nfs/dbraw/zinc/25/78/45/343257845.db2.gz HYVFDKKKEIJSPN-ZETCQYMHSA-N 0 3 156.229 0.346 20 0 ACADHN CCCN(CC)CC(N)=O 43639148 343257901 /nfs/dbraw/zinc/25/79/01/343257901.db2.gz QWLRPICPYUYCPQ-UHFFFAOYSA-N 0 3 144.218 0.204 20 0 ACADHN C[C@H](O)CCN1CCN(C)CC1 44116671 343260431 /nfs/dbraw/zinc/26/04/31/343260431.db2.gz FKLYEZLSPJDHKV-VIFPVBQESA-N 0 3 172.272 0.005 20 0 ACADHN C[C@H]1CN(CC[C@@H](C)O)C[C@@H](C)O1 44117354 343260587 /nfs/dbraw/zinc/26/05/87/343260587.db2.gz IHKPKFXZUCFJSY-BBBLOLIVSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@H](O)CCN1CCOCC1(C)C 44178303 343261356 /nfs/dbraw/zinc/26/13/56/343261356.db2.gz ZKRFUNUSKPVCPU-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN COCCN(C)CC[C@H](C)O 44177604 343261402 /nfs/dbraw/zinc/26/14/02/343261402.db2.gz XOYXYLNXBBNFPC-QMMMGPOBSA-N 0 3 161.245 0.336 20 0 ACADHN C[C@H](O)CCN(C)C[C@@H]1CCCO1 44171214 343261529 /nfs/dbraw/zinc/26/15/29/343261529.db2.gz GAOJUSCVVJMUIU-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@H]1CN(CCCO)CC(C)(C)O1 44478782 343266210 /nfs/dbraw/zinc/26/62/10/343266210.db2.gz SRPVWVWOHCMIOP-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN CC(C)[C@H](N)C(=O)Nc1ccnn1C 44593733 343267361 /nfs/dbraw/zinc/26/73/61/343267361.db2.gz RGBPOILXGUMFGU-QMMMGPOBSA-N 0 3 196.254 0.342 20 0 ACADHN COCCCCNCc1ncc[nH]1 44658329 343267378 /nfs/dbraw/zinc/26/73/78/343267378.db2.gz WKPNCPWRACATGQ-UHFFFAOYSA-N 0 3 183.255 0.926 20 0 ACADHN COCCCCNCc1ccnn1C 44657350 343267595 /nfs/dbraw/zinc/26/75/95/343267595.db2.gz GULOGZXMVFUVIK-UHFFFAOYSA-N 0 3 197.282 0.936 20 0 ACADHN COCCCCNCc1cc[nH]n1 44657346 343267647 /nfs/dbraw/zinc/26/76/47/343267647.db2.gz DHJWZFWYGRFOTG-UHFFFAOYSA-N 0 3 183.255 0.926 20 0 ACADHN CNC(=O)CCNCc1cccs1 44987857 343270059 /nfs/dbraw/zinc/27/00/59/343270059.db2.gz GTJPGSQKERYAJY-UHFFFAOYSA-N 0 3 198.291 0.974 20 0 ACADHN C[C@H]1CN(C[C@@H](C)O)CC(C)(C)O1 45703414 343271998 /nfs/dbraw/zinc/27/19/98/343271998.db2.gz UXUGVXKHFGMMBL-BDAKNGLRSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@H]1CCC[C@@H](N(C)CC(N)=O)C1 47848453 343273558 /nfs/dbraw/zinc/27/35/58/343273558.db2.gz PNOOVXHIXHYTPK-DTWKUNHWSA-N 0 3 184.283 0.982 20 0 ACADHN CCOCCN1CCC(CO)CC1 47958913 343273658 /nfs/dbraw/zinc/27/36/58/343273658.db2.gz GNJFAQAWVKMMPQ-UHFFFAOYSA-N 0 3 187.283 0.727 20 0 ACADHN C[C@H]1CCC[C@H](N(C)CC(N)=O)C1 47848450 343273666 /nfs/dbraw/zinc/27/36/66/343273666.db2.gz PNOOVXHIXHYTPK-IUCAKERBSA-N 0 3 184.283 0.982 20 0 ACADHN CCOCCN1CCC[C@H](O)C1 49773404 343276551 /nfs/dbraw/zinc/27/65/51/343276551.db2.gz YLFFZWHNHOCWHF-VIFPVBQESA-N 0 3 173.256 0.480 20 0 ACADHN CCOCCN1CCC[C@@H](O)C1 49773406 343276648 /nfs/dbraw/zinc/27/66/48/343276648.db2.gz YLFFZWHNHOCWHF-SECBINFHSA-N 0 3 173.256 0.480 20 0 ACADHN OC[C@@H]1CCCN1CCn1cccn1 50116910 343278115 /nfs/dbraw/zinc/27/81/15/343278115.db2.gz LNHRMHOEJVDPJI-JTQLQIEISA-N 0 3 195.266 0.340 20 0 ACADHN OC[C@H]1CCCN1CCn1cccn1 50116907 343278460 /nfs/dbraw/zinc/27/84/60/343278460.db2.gz LNHRMHOEJVDPJI-SNVBAGLBSA-N 0 3 195.266 0.340 20 0 ACADHN Cc1csc(NC(=O)[C@@H]2C[C@@H]2N)n1 50456839 343282935 /nfs/dbraw/zinc/28/29/35/343282935.db2.gz ZAOGOQCPHYILOX-RITPCOANSA-N 0 3 197.263 0.737 20 0 ACADHN CCn1cc(NC(=O)[C@@H]2C[C@@H]2N)cn1 50458696 343282947 /nfs/dbraw/zinc/28/29/47/343282947.db2.gz PUUUDRPSVGNASQ-SFYZADRCSA-N 0 3 194.238 0.189 20 0 ACADHN Cc1cc(NC(=O)[C@@H]2C[C@@H]2N)no1 50456306 343283091 /nfs/dbraw/zinc/28/30/91/343283091.db2.gz XAVHLRWODRKXDN-RITPCOANSA-N 0 3 181.195 0.269 20 0 ACADHN Cc1cccc(NC(=O)[C@@H]2C[C@@H]2N)n1 50457791 343283095 /nfs/dbraw/zinc/28/30/95/343283095.db2.gz YRWCAMAOVLFCSL-SFYZADRCSA-N 0 3 191.234 0.676 20 0 ACADHN CN(Cc1ccco1)C(=O)[C@@H]1C[C@@H]1N 50458618 343283180 /nfs/dbraw/zinc/28/31/80/343283180.db2.gz JERRPGBXFZVOFN-BDAKNGLRSA-N 0 3 194.234 0.585 20 0 ACADHN CCC(C)(C)NC(=O)[C@@H]1C[C@@H]1N 50456127 343283183 /nfs/dbraw/zinc/28/31/83/343283183.db2.gz URIVGJTWQFXHIP-RQJHMYQMSA-N 0 3 170.256 0.638 20 0 ACADHN CC1(NC(=O)[C@@H]2C[C@@H]2N)CCCC1 50464628 343283190 /nfs/dbraw/zinc/28/31/90/343283190.db2.gz PTKBXHKDABIVPB-SFYZADRCSA-N 0 3 182.267 0.783 20 0 ACADHN Cc1cnc(NC(=O)[C@@H]2C[C@@H]2N)s1 50456529 343283250 /nfs/dbraw/zinc/28/32/50/343283250.db2.gz VFZBUCOVNCBSGV-RITPCOANSA-N 0 3 197.263 0.737 20 0 ACADHN CC(C)N(C)C(=O)[C@@H]1C[C@@H]1N 50456318 343283293 /nfs/dbraw/zinc/28/32/93/343283293.db2.gz LTJMXGZBGXTYBV-RQJHMYQMSA-N 0 3 156.229 0.200 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)NCC(F)(F)F 50457724 343283324 /nfs/dbraw/zinc/28/33/24/343283324.db2.gz WBTIIYCPEPORBB-IUYQGCFVSA-N 0 3 182.145 0.012 20 0 ACADHN CN(C(=O)[C@@H]1C[C@@H]1N)C1CCCC1 50458328 343283343 /nfs/dbraw/zinc/28/33/43/343283343.db2.gz KNBHZTFSEZNQCE-BDAKNGLRSA-N 0 3 182.267 0.735 20 0 ACADHN CC[C@@H](CO)NCc1cnn(CC)c1 50539500 343283757 /nfs/dbraw/zinc/28/37/57/343283757.db2.gz PTEUDJUXDCQHTE-JTQLQIEISA-N 0 3 197.282 0.764 20 0 ACADHN CCn1cc(CN[C@@H](C)CO)cn1 50539507 343283816 /nfs/dbraw/zinc/28/38/16/343283816.db2.gz RBKMBQHAVFAMTA-QMMMGPOBSA-N 0 3 183.255 0.373 20 0 ACADHN CCn1cc(CNCCCO)cn1 50539509 343283839 /nfs/dbraw/zinc/28/38/39/343283839.db2.gz PVHGVYQFYFIWLI-UHFFFAOYSA-N 0 3 183.255 0.375 20 0 ACADHN CCn1cc(CNC[C@@H](C)O)cn1 50539505 343283845 /nfs/dbraw/zinc/28/38/45/343283845.db2.gz IWLXGZBNYJUYNC-MRVPVSSYSA-N 0 3 183.255 0.373 20 0 ACADHN CCn1cc(CNC(C)(C)CO)cn1 50539502 343283856 /nfs/dbraw/zinc/28/38/56/343283856.db2.gz APUQZHCVTMUZHF-UHFFFAOYSA-N 0 3 197.282 0.764 20 0 ACADHN CCn1cc(CN[C@H](C)CO)cn1 50539508 343283926 /nfs/dbraw/zinc/28/39/26/343283926.db2.gz RBKMBQHAVFAMTA-MRVPVSSYSA-N 0 3 183.255 0.373 20 0 ACADHN CCn1cc(CNC[C@H](C)O)cn1 50539506 343283937 /nfs/dbraw/zinc/28/39/37/343283937.db2.gz IWLXGZBNYJUYNC-QMMMGPOBSA-N 0 3 183.255 0.373 20 0 ACADHN CC[C@H](CO)NCc1cnn(CC)c1 50539501 343283954 /nfs/dbraw/zinc/28/39/54/343283954.db2.gz PTEUDJUXDCQHTE-SNVBAGLBSA-N 0 3 197.282 0.764 20 0 ACADHN C[C@H]1CCCN(C(=O)CN)[C@@H]1C 50565400 343284294 /nfs/dbraw/zinc/28/42/94/343284294.db2.gz UASGXNCOHZLWCR-JGVFFNPUSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@H]1CCCN(C(=O)[C@@H](C)N)[C@@H]1C 50565396 343284328 /nfs/dbraw/zinc/28/43/28/343284328.db2.gz ZZVIGJICMPPEGF-DJLDLDEBSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C 50565371 343284352 /nfs/dbraw/zinc/28/43/52/343284352.db2.gz ZZVIGJICMPPEGF-HRDYMLBCSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H]1[C@H](C)CCCN1C(=O)[C@@H](C)N 50565397 343284365 /nfs/dbraw/zinc/28/43/65/343284365.db2.gz ZZVIGJICMPPEGF-HLTSFMKQSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@@H](N)C(=O)N1CCC[C@@H](C)[C@H]1C 50565395 343284381 /nfs/dbraw/zinc/28/43/81/343284381.db2.gz ZZVIGJICMPPEGF-IWSPIJDZSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H]1[C@H](C)CCCN1C(=O)CN 50565401 343284423 /nfs/dbraw/zinc/28/44/23/343284423.db2.gz UASGXNCOHZLWCR-SFYZADRCSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@H](N)C(=O)N1CCC[C@H](C)[C@@H]1C 50565374 343284459 /nfs/dbraw/zinc/28/44/59/343284459.db2.gz ZZVIGJICMPPEGF-CIUDSAMLSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H](N)C(=O)N1CCC[C@H](C)[C@H]1C 50565372 343284475 /nfs/dbraw/zinc/28/44/75/343284475.db2.gz ZZVIGJICMPPEGF-XHNCKOQMSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H](N)C(=O)N1CCC[C@@H](C)[C@@H]1C 50565373 343284498 /nfs/dbraw/zinc/28/44/98/343284498.db2.gz ZZVIGJICMPPEGF-VGMNWLOBSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H]1CCCN(C(=O)[C@@H](C)N)[C@H]1C 50565398 343284520 /nfs/dbraw/zinc/28/45/20/343284520.db2.gz ZZVIGJICMPPEGF-YIZRAAEISA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H]1CCCN(C(=O)CN)[C@H]1C 50565402 343284540 /nfs/dbraw/zinc/28/45/40/343284540.db2.gz UASGXNCOHZLWCR-YUMQZZPRSA-N 0 3 170.256 0.592 20 0 ACADHN CNCC(=O)N1CCC[C@H](C)[C@@H]1C 50565644 343284762 /nfs/dbraw/zinc/28/47/62/343284762.db2.gz IUIFDTOJOMGWNA-IUCAKERBSA-N 0 3 184.283 0.853 20 0 ACADHN CNCC(=O)N1CCC[C@@H](C)[C@@H]1C 50565643 343284786 /nfs/dbraw/zinc/28/47/86/343284786.db2.gz IUIFDTOJOMGWNA-BDAKNGLRSA-N 0 3 184.283 0.853 20 0 ACADHN C[C@H]1CCCN(CC(N)=O)[C@@H]1C 50566836 343284792 /nfs/dbraw/zinc/28/47/92/343284792.db2.gz HTQYKZHJWIOEHV-JGVFFNPUSA-N 0 3 170.256 0.592 20 0 ACADHN CNCC(=O)N1CCC[C@H](C)[C@H]1C 50565642 343284985 /nfs/dbraw/zinc/28/49/85/343284985.db2.gz IUIFDTOJOMGWNA-DTWKUNHWSA-N 0 3 184.283 0.853 20 0 ACADHN CNC(=O)CCNCc1cccn1C 50596310 343285509 /nfs/dbraw/zinc/28/55/09/343285509.db2.gz URYMFPCKSQHGBX-UHFFFAOYSA-N 0 3 195.266 0.251 20 0 ACADHN CNCC(=O)N1Cc2ccccc2C1 50912474 343287038 /nfs/dbraw/zinc/28/70/38/343287038.db2.gz INXYZTSVXYCZKB-UHFFFAOYSA-N 0 3 190.246 0.748 20 0 ACADHN CC[C@H](C(N)=O)N1CCCC1 51692112 343291947 /nfs/dbraw/zinc/29/19/47/343291947.db2.gz DQOSEHWNUDEBQL-SSDOTTSWSA-N 0 3 156.229 0.346 20 0 ACADHN C[C@H](N)C(=O)N1CC[C@@H](C)C[C@H]1C 51732693 343292927 /nfs/dbraw/zinc/29/29/27/343292927.db2.gz MZZOIOZDVQZJFT-HLTSFMKQSA-N 0 3 184.283 0.981 20 0 ACADHN CC(C)OCCN(C)C[C@@H](C)O 51821932 343293882 /nfs/dbraw/zinc/29/38/82/343293882.db2.gz ZAOJZQLRTXMJLV-SECBINFHSA-N 0 3 175.272 0.724 20 0 ACADHN CC(C)OCCN(C)C[C@H](C)O 51821933 343294014 /nfs/dbraw/zinc/29/40/14/343294014.db2.gz ZAOJZQLRTXMJLV-VIFPVBQESA-N 0 3 175.272 0.724 20 0 ACADHN C[C@H](O)CN(C)CCn1cccn1 51821938 343294125 /nfs/dbraw/zinc/29/41/25/343294125.db2.gz MMFOEAQGQHTEES-VIFPVBQESA-N 0 3 183.255 0.196 20 0 ACADHN Cn1cc(CN2CC[C@@H](CO)C2)cn1 51887779 343295086 /nfs/dbraw/zinc/29/50/86/343295086.db2.gz RZRKXHNPGPQJAP-SECBINFHSA-N 0 3 195.266 0.234 20 0 ACADHN Cn1cc(CN2CC[C@H](CO)C2)cn1 51887778 343295243 /nfs/dbraw/zinc/29/52/43/343295243.db2.gz RZRKXHNPGPQJAP-VIFPVBQESA-N 0 3 195.266 0.234 20 0 ACADHN CC(C)[C@H](N)C(=O)NC1CCC1 52210865 343302090 /nfs/dbraw/zinc/30/20/90/343302090.db2.gz RCXCFTIFGLYCPH-QMMMGPOBSA-N 0 3 170.256 0.638 20 0 ACADHN CC[C@H](N)C(=O)NC1CCC1 52211089 343302195 /nfs/dbraw/zinc/30/21/95/343302195.db2.gz WWWXHPARMDZIRN-ZETCQYMHSA-N 0 3 156.229 0.392 20 0 ACADHN CC[C@@H](N)C(=O)NC1CCC1 52211092 343302202 /nfs/dbraw/zinc/30/22/02/343302202.db2.gz WWWXHPARMDZIRN-SSDOTTSWSA-N 0 3 156.229 0.392 20 0 ACADHN Cc1ccc(CNC(=O)[C@@H](C)N)o1 53038267 343312544 /nfs/dbraw/zinc/31/25/44/343312544.db2.gz LRBFYEAXCOIWCC-SSDOTTSWSA-N 0 3 182.223 0.551 20 0 ACADHN Cc1ccc(CNC(=O)CN)o1 53038275 343312631 /nfs/dbraw/zinc/31/26/31/343312631.db2.gz KQIDBBDCRRPVRB-UHFFFAOYSA-N 0 3 168.196 0.163 20 0 ACADHN CC(C)N(C)CCNCc1ncc[nH]1 54111496 343317757 /nfs/dbraw/zinc/31/77/57/343317757.db2.gz OBYHOSOKOILXLY-UHFFFAOYSA-N 0 3 196.298 0.840 20 0 ACADHN CCn1cnnc1[C@@H]1CCCN1 54497724 343324893 /nfs/dbraw/zinc/32/48/93/343324893.db2.gz MLDQJIGXUCEOJS-ZETCQYMHSA-N 0 3 166.228 0.723 20 0 ACADHN CCn1cnnc1[C@H]1CCCN1 54497725 343325072 /nfs/dbraw/zinc/32/50/72/343325072.db2.gz MLDQJIGXUCEOJS-SSDOTTSWSA-N 0 3 166.228 0.723 20 0 ACADHN COCCn1cc(CNC2CC2)cn1 54719832 343328208 /nfs/dbraw/zinc/32/82/08/343328208.db2.gz JUDBINYYOZCQFH-UHFFFAOYSA-N 0 3 195.266 0.782 20 0 ACADHN CCOCCn1cc(CNC)cn1 54719178 343328239 /nfs/dbraw/zinc/32/82/39/343328239.db2.gz MIWNIWDNJWJWON-UHFFFAOYSA-N 0 3 183.255 0.639 20 0 ACADHN CNCc1cnn(CC(F)F)c1 54719110 343328249 /nfs/dbraw/zinc/32/82/49/343328249.db2.gz RDNFUFPUZLDGJD-UHFFFAOYSA-N 0 3 175.182 0.868 20 0 ACADHN CC(C)NCc1c[nH]cn1 54762864 343328666 /nfs/dbraw/zinc/32/86/66/343328666.db2.gz BZKUGNXGGCLTST-UHFFFAOYSA-N 0 3 139.202 0.908 20 0 ACADHN COC[C@@H](C)CNCc1cn(C)nn1 54861087 343330603 /nfs/dbraw/zinc/33/06/03/343330603.db2.gz ZQWQHMCKKPCYGA-QMMMGPOBSA-N 0 3 198.270 0.187 20 0 ACADHN COC[C@H](C)CNCc1cn(C)nn1 54861089 343330798 /nfs/dbraw/zinc/33/07/98/343330798.db2.gz ZQWQHMCKKPCYGA-MRVPVSSYSA-N 0 3 198.270 0.187 20 0 ACADHN C[C@H](NCc1cn(C)nn1)C1CC1 54859187 343330897 /nfs/dbraw/zinc/33/08/97/343330897.db2.gz XSXKPSCKUNDBRL-ZETCQYMHSA-N 0 3 180.255 0.703 20 0 ACADHN CCCNCc1cn(C)nn1 54858335 343330883 /nfs/dbraw/zinc/33/08/83/343330883.db2.gz UUKQLJOFSSTHAM-UHFFFAOYSA-N 0 3 154.217 0.315 20 0 ACADHN CN1CCc2nnc(N)cc2C1 54930979 343331238 /nfs/dbraw/zinc/33/12/38/343331238.db2.gz ZFAVKPBXEAMYCX-UHFFFAOYSA-N 0 3 164.212 0.047 20 0 ACADHN CC(C)N1CCc2n[nH]c(=O)cc2C1 54930849 343331277 /nfs/dbraw/zinc/33/12/77/343331277.db2.gz WRMJVYGDORVPSE-UHFFFAOYSA-N 0 3 193.250 0.949 20 0 ACADHN Cc1nccc(NCCN(C)C)n1 54935634 343331947 /nfs/dbraw/zinc/33/19/47/343331947.db2.gz ROQPTFXYAIVQGY-UHFFFAOYSA-N 0 3 180.255 0.759 20 0 ACADHN Cc1ccccc1CCNC(=O)CN 57488641 343337566 /nfs/dbraw/zinc/33/75/66/343337566.db2.gz QZISZKWGANWMPC-UHFFFAOYSA-N 0 3 192.262 0.612 20 0 ACADHN Cc1ccc(CNC(=O)CN)c(C)c1 57488651 343337715 /nfs/dbraw/zinc/33/77/15/343337715.db2.gz GYEOYBNHGBLPQF-UHFFFAOYSA-N 0 3 192.262 0.878 20 0 ACADHN CC(C)CCN(C)[C@@H](C)C(N)=O 58006038 343338420 /nfs/dbraw/zinc/33/84/20/343338420.db2.gz OOVZCSFLVXEFCF-QMMMGPOBSA-N 0 3 172.272 0.838 20 0 ACADHN C[C@@H](C(N)=O)N(C)CC1CC1 58006008 343338486 /nfs/dbraw/zinc/33/84/86/343338486.db2.gz VMPDZAPIUCZCJV-LURJTMIESA-N 0 3 156.229 0.202 20 0 ACADHN CC(C)CCN(C)[C@H](C)C(N)=O 58006040 343338552 /nfs/dbraw/zinc/33/85/52/343338552.db2.gz OOVZCSFLVXEFCF-MRVPVSSYSA-N 0 3 172.272 0.838 20 0 ACADHN C[C@H](N)C12OCC(C)(CO1)CO2 59044369 343341950 /nfs/dbraw/zinc/34/19/50/343341950.db2.gz NSIUGLGBUTXGCA-KKMMWDRVSA-N 0 3 173.212 0.071 20 0 ACADHN CC1(C)CCN(CC(N)=O)CC1 59568897 343345806 /nfs/dbraw/zinc/34/58/06/343345806.db2.gz JGNQKHGDMIEOHZ-UHFFFAOYSA-N 0 3 170.256 0.594 20 0 ACADHN C[C@H]1CCCN1[C@@H](C)C(N)=O 61678846 343358980 /nfs/dbraw/zinc/35/89/80/343358980.db2.gz JISWBFUDDDYKLK-BQBZGAKWSA-N 0 3 156.229 0.345 20 0 ACADHN CCNC(=O)NCCN1CCCCC1 59671891 343346922 /nfs/dbraw/zinc/34/69/22/343346922.db2.gz LHNAECNIRRZLKP-UHFFFAOYSA-N 0 3 199.298 0.791 20 0 ACADHN CC[C@H]1COC[C@H](C)N1 59863767 343348132 /nfs/dbraw/zinc/34/81/32/343348132.db2.gz NIVZZMFSGHCALH-BQBZGAKWSA-N 0 3 129.203 0.773 20 0 ACADHN CC[C@H]1COC[C@@H](C)N1 59863773 343348201 /nfs/dbraw/zinc/34/82/01/343348201.db2.gz NIVZZMFSGHCALH-RQJHMYQMSA-N 0 3 129.203 0.773 20 0 ACADHN CC[C@@H]1COC[C@H](C)N1 59863765 343348261 /nfs/dbraw/zinc/34/82/61/343348261.db2.gz NIVZZMFSGHCALH-NKWVEPMBSA-N 0 3 129.203 0.773 20 0 ACADHN CC[C@@H]1COC[C@@H](C)N1 59863770 343348364 /nfs/dbraw/zinc/34/83/64/343348364.db2.gz NIVZZMFSGHCALH-RNFRBKRXSA-N 0 3 129.203 0.773 20 0 ACADHN CC(C)CN(C)[C@H](C)C(N)=O 59894442 343348385 /nfs/dbraw/zinc/34/83/85/343348385.db2.gz FEZOTDBWICDIIK-SSDOTTSWSA-N 0 3 158.245 0.448 20 0 ACADHN CCCN(C)[C@@H](C)C(N)=O 59917546 343348496 /nfs/dbraw/zinc/34/84/96/343348496.db2.gz NMYXHEZSXDXBHI-LURJTMIESA-N 0 3 144.218 0.202 20 0 ACADHN CCCN(C)[C@H](C)C(N)=O 59917548 343348541 /nfs/dbraw/zinc/34/85/41/343348541.db2.gz NMYXHEZSXDXBHI-ZCFIWIBFSA-N 0 3 144.218 0.202 20 0 ACADHN CNCC(=O)NCc1ccc(C)nc1 59929652 343349234 /nfs/dbraw/zinc/34/92/34/343349234.db2.gz BSZIIDPJELJCNU-UHFFFAOYSA-N 0 3 193.250 0.226 20 0 ACADHN Cc1ccc(CNC(=O)[C@H](C)N)cn1 59929604 343349314 /nfs/dbraw/zinc/34/93/14/343349314.db2.gz CHSSPAQOVDKXAZ-QMMMGPOBSA-N 0 3 193.250 0.353 20 0 ACADHN Cc1ccc(CNC(=O)[C@@H](C)N)cn1 59929601 343349329 /nfs/dbraw/zinc/34/93/29/343349329.db2.gz CHSSPAQOVDKXAZ-MRVPVSSYSA-N 0 3 193.250 0.353 20 0 ACADHN C[C@H](N)c1cccnc1N 59979033 343349826 /nfs/dbraw/zinc/34/98/26/343349826.db2.gz SDHWYVBKPIROJL-YFKPBYRVSA-N 0 3 137.186 0.684 20 0 ACADHN CC[C@H](C(N)=O)N(C)CCCOC 61803646 343363637 /nfs/dbraw/zinc/36/36/37/343363637.db2.gz GUTSZWMPSSUTSU-MRVPVSSYSA-N 0 3 188.271 0.219 20 0 ACADHN CN1CC[C@@H](NC(=O)N2CCCC2)C1 60313803 343353289 /nfs/dbraw/zinc/35/32/89/343353289.db2.gz MDIOSWVMPFUIBS-SECBINFHSA-N 0 3 197.282 0.496 20 0 ACADHN CN1CC[C@H](NC(=O)N2CCCC2)C1 60313802 343353430 /nfs/dbraw/zinc/35/34/30/343353430.db2.gz MDIOSWVMPFUIBS-VIFPVBQESA-N 0 3 197.282 0.496 20 0 ACADHN CC[C@H](C)OC1CNC1 60999569 343354609 /nfs/dbraw/zinc/35/46/09/343354609.db2.gz DPANMBQQJSERLR-LURJTMIESA-N 0 3 129.203 0.773 20 0 ACADHN CC[C@@H](C)OC1CNC1 60999567 343354742 /nfs/dbraw/zinc/35/47/42/343354742.db2.gz DPANMBQQJSERLR-ZCFIWIBFSA-N 0 3 129.203 0.773 20 0 ACADHN C[C@H]1CCN([C@@H](C)C(N)=O)C1 60837073 343354779 /nfs/dbraw/zinc/35/47/79/343354779.db2.gz BSFURKAODHMPJE-BQBZGAKWSA-N 0 3 156.229 0.202 20 0 ACADHN CN(CC(N)=O)CC1CCC1 61481734 343356707 /nfs/dbraw/zinc/35/67/07/343356707.db2.gz VBQDCWQKQRXAEA-UHFFFAOYSA-N 0 3 156.229 0.204 20 0 ACADHN CN(CC1CCC1)C(=O)CN 61480065 343356785 /nfs/dbraw/zinc/35/67/85/343356785.db2.gz KQQBRBPHZXAATA-UHFFFAOYSA-N 0 3 156.229 0.204 20 0 ACADHN C[C@H](N)C(=O)N(C)CC1CCC1 61479975 343356896 /nfs/dbraw/zinc/35/68/96/343356896.db2.gz ZHNRBFKUWMVJBM-ZETCQYMHSA-N 0 3 170.256 0.592 20 0 ACADHN CNC(=O)CN[C@@H]1CCCSC1 61572881 343357222 /nfs/dbraw/zinc/35/72/22/343357222.db2.gz BHJBFOBKHLHJPW-SSDOTTSWSA-N 0 3 188.296 0.218 20 0 ACADHN CNC(=O)CN[C@H]1CCCSC1 61572882 343357380 /nfs/dbraw/zinc/35/73/80/343357380.db2.gz BHJBFOBKHLHJPW-ZETCQYMHSA-N 0 3 188.296 0.218 20 0 ACADHN CC[C@H](C(N)=O)N(C)CC(C)C 61679018 343358733 /nfs/dbraw/zinc/35/87/33/343358733.db2.gz KWTZILBWLQCVRZ-MRVPVSSYSA-N 0 3 172.272 0.838 20 0 ACADHN CC[C@@H](C(N)=O)N(C)CC(C)C 61679017 343358751 /nfs/dbraw/zinc/35/87/51/343358751.db2.gz KWTZILBWLQCVRZ-QMMMGPOBSA-N 0 3 172.272 0.838 20 0 ACADHN CCCCN(C)[C@H](CC)C(N)=O 61678890 343358817 /nfs/dbraw/zinc/35/88/17/343358817.db2.gz HIMRVEKSVLFBTR-MRVPVSSYSA-N 0 3 172.272 0.982 20 0 ACADHN CC[C@H](C(N)=O)N(CC)CC 61678860 343358841 /nfs/dbraw/zinc/35/88/41/343358841.db2.gz YANDJINZKYYUPO-SSDOTTSWSA-N 0 3 158.245 0.592 20 0 ACADHN CC[C@@H](C)CN(C)[C@@H](C)C(N)=O 61679023 343358853 /nfs/dbraw/zinc/35/88/53/343358853.db2.gz ZPQPSXLCKSBZEL-SFYZADRCSA-N 0 3 172.272 0.838 20 0 ACADHN CCCN(C)[C@@H](CC)C(N)=O 61679015 343358887 /nfs/dbraw/zinc/35/88/87/343358887.db2.gz WDHVMUIGMJLLIM-ZETCQYMHSA-N 0 3 158.245 0.592 20 0 ACADHN CC[C@H](C)CN(C)[C@@H](C)C(N)=O 61679024 343358970 /nfs/dbraw/zinc/35/89/70/343358970.db2.gz ZPQPSXLCKSBZEL-YUMQZZPRSA-N 0 3 172.272 0.838 20 0 ACADHN CCCN(C)[C@H](CC)C(N)=O 61679016 343359051 /nfs/dbraw/zinc/35/90/51/343359051.db2.gz WDHVMUIGMJLLIM-SSDOTTSWSA-N 0 3 158.245 0.592 20 0 ACADHN CC[C@@H](C(N)=O)N(CC)CC 61678859 343359116 /nfs/dbraw/zinc/35/91/16/343359116.db2.gz YANDJINZKYYUPO-ZETCQYMHSA-N 0 3 158.245 0.592 20 0 ACADHN CCCCN(C)[C@@H](CC)C(N)=O 61678889 343359123 /nfs/dbraw/zinc/35/91/23/343359123.db2.gz HIMRVEKSVLFBTR-QMMMGPOBSA-N 0 3 172.272 0.982 20 0 ACADHN C[C@H](C(N)=O)N(C)CC(C)(C)C 61679470 343359565 /nfs/dbraw/zinc/35/95/65/343359565.db2.gz ANQCCSFRQXFLOY-SSDOTTSWSA-N 0 3 172.272 0.838 20 0 ACADHN C[C@@H](C(N)=O)N(C)CC(C)(C)C 61679469 343359744 /nfs/dbraw/zinc/35/97/44/343359744.db2.gz ANQCCSFRQXFLOY-ZETCQYMHSA-N 0 3 172.272 0.838 20 0 ACADHN CC(C)[C@H](N)C(=O)Nc1cnoc1 61684869 343360124 /nfs/dbraw/zinc/36/01/24/343360124.db2.gz QNLIAWTVOMFEBZ-ZETCQYMHSA-N 0 3 183.211 0.596 20 0 ACADHN Cc1nccn1CCN1CC[C@H](O)C1 61708170 343361623 /nfs/dbraw/zinc/36/16/23/343361623.db2.gz RIFUGEKIPXUFTO-JTQLQIEISA-N 0 3 195.266 0.258 20 0 ACADHN CCCCOCCN1CC[C@H](O)C1 61708166 343361729 /nfs/dbraw/zinc/36/17/29/343361729.db2.gz PBURDCPYLCEIQC-JTQLQIEISA-N 0 3 187.283 0.870 20 0 ACADHN COC(=O)CCCN1CC[C@H](O)C1 61708254 343361789 /nfs/dbraw/zinc/36/17/89/343361789.db2.gz BCQTUKAQZAWHNY-QMMMGPOBSA-N 0 3 187.239 0.006 20 0 ACADHN CCOCCN1CC[C@@H](O)C1 61708327 343361854 /nfs/dbraw/zinc/36/18/54/343361854.db2.gz IUZNPNCMYPOMJN-MRVPVSSYSA-N 0 3 159.229 0.090 20 0 ACADHN CCOCCN1CC[C@H](O)C1 61708326 343361877 /nfs/dbraw/zinc/36/18/77/343361877.db2.gz IUZNPNCMYPOMJN-QMMMGPOBSA-N 0 3 159.229 0.090 20 0 ACADHN CCCCOCCN1CC[C@@H](O)C1 61708167 343361935 /nfs/dbraw/zinc/36/19/35/343361935.db2.gz PBURDCPYLCEIQC-SNVBAGLBSA-N 0 3 187.283 0.870 20 0 ACADHN CC(C)OCCN1CC[C@H](O)C1 61708132 343361946 /nfs/dbraw/zinc/36/19/46/343361946.db2.gz BDBFAVSOSWKFRX-VIFPVBQESA-N 0 3 173.256 0.478 20 0 ACADHN COC(=O)CCCN1CC[C@@H](O)C1 61708255 343361977 /nfs/dbraw/zinc/36/19/77/343361977.db2.gz BCQTUKAQZAWHNY-MRVPVSSYSA-N 0 3 187.239 0.006 20 0 ACADHN CC(C)OCCN1CC[C@@H](O)C1 61708133 343362040 /nfs/dbraw/zinc/36/20/40/343362040.db2.gz BDBFAVSOSWKFRX-SECBINFHSA-N 0 3 173.256 0.478 20 0 ACADHN OCc1cc(N2CC[C@H](O)C2)ccn1 61711359 343362522 /nfs/dbraw/zinc/36/25/22/343362522.db2.gz CRWDGPHEPRVDNZ-JTQLQIEISA-N 0 3 194.234 0.145 20 0 ACADHN CCOC(=O)CCN1CC[C@@H](O)C1 61710746 343362746 /nfs/dbraw/zinc/36/27/46/343362746.db2.gz ZIWPZFRSZBUNII-MRVPVSSYSA-N 0 3 187.239 0.006 20 0 ACADHN CCOC(=O)CCN1CC[C@H](O)C1 61710745 343362786 /nfs/dbraw/zinc/36/27/86/343362786.db2.gz ZIWPZFRSZBUNII-QMMMGPOBSA-N 0 3 187.239 0.006 20 0 ACADHN CC[C@@H](C(N)=O)N(C)CCCOC 61803642 343363398 /nfs/dbraw/zinc/36/33/98/343363398.db2.gz GUTSZWMPSSUTSU-QMMMGPOBSA-N 0 3 188.271 0.219 20 0 ACADHN C[C@H](C(N)=O)N1CCC(C)(C)CC1 61803919 343363455 /nfs/dbraw/zinc/36/34/55/343363455.db2.gz VJKONNVPUFOGMG-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H](N)C(=O)N1CCC(C)(C)CC1 61821009 343364527 /nfs/dbraw/zinc/36/45/27/343364527.db2.gz HEZNDSCZLCYLGR-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN CNCC(=O)N1CCC(C)(C)CC1 61821060 343364543 /nfs/dbraw/zinc/36/45/43/343364543.db2.gz CITOQXIEEQZVOG-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CC1(C)CCN(C(=O)CN)CC1 61821017 343364637 /nfs/dbraw/zinc/36/46/37/343364637.db2.gz DASMKTRHHNRFFV-UHFFFAOYSA-N 0 3 170.256 0.594 20 0 ACADHN C[C@H]1CN(CCO)CCCO1 61920647 343367670 /nfs/dbraw/zinc/36/76/70/343367670.db2.gz VHLKXYJUJQHWMB-QMMMGPOBSA-N 0 3 159.229 0.090 20 0 ACADHN C[C@H](O)CN1CCCOCC1 61920681 343367966 /nfs/dbraw/zinc/36/79/66/343367966.db2.gz JRQRPBDPDVAOJZ-QMMMGPOBSA-N 0 3 159.229 0.090 20 0 ACADHN OCCCCN1CCCOCC1 61920675 343367977 /nfs/dbraw/zinc/36/79/77/343367977.db2.gz PIVBPDPZRFTKNT-UHFFFAOYSA-N 0 3 173.256 0.481 20 0 ACADHN CN(CCNc1ncccn1)C1CC1 62010339 343369302 /nfs/dbraw/zinc/36/93/02/343369302.db2.gz AZGHPJLOHJAWAX-UHFFFAOYSA-N 0 3 192.266 0.983 20 0 ACADHN CN(CCNc1cnccn1)C1CC1 62010338 343369391 /nfs/dbraw/zinc/36/93/91/343369391.db2.gz PAZYGUKRZFROGC-UHFFFAOYSA-N 0 3 192.266 0.983 20 0 ACADHN CN1C(=O)C[C@@H](N)[C@H]1c1cccs1 62208973 343372134 /nfs/dbraw/zinc/37/21/34/343372134.db2.gz RYNHLLRUCAHBAS-MUWHJKNJSA-N 0 3 196.275 0.979 20 0 ACADHN CN1C(=O)C[C@H](N)[C@H]1c1ccco1 62208979 343372185 /nfs/dbraw/zinc/37/21/85/343372185.db2.gz HQYKVGFVYXCBOI-RCOVLWMOSA-N 0 3 180.207 0.510 20 0 ACADHN CN1C(=O)C[C@H](N)[C@@H]1c1ccco1 62208980 343372231 /nfs/dbraw/zinc/37/22/31/343372231.db2.gz HQYKVGFVYXCBOI-IMTBSYHQSA-N 0 3 180.207 0.510 20 0 ACADHN CN1C(=O)C[C@@H](N)[C@H]1c1ccco1 62208977 343372341 /nfs/dbraw/zinc/37/23/41/343372341.db2.gz HQYKVGFVYXCBOI-MUWHJKNJSA-N 0 3 180.207 0.510 20 0 ACADHN CN1C(=O)C[C@H](N)[C@H]1c1cccs1 62208975 343372441 /nfs/dbraw/zinc/37/24/41/343372441.db2.gz RYNHLLRUCAHBAS-RCOVLWMOSA-N 0 3 196.275 0.979 20 0 ACADHN CN1C(=O)C[C@@H](N)[C@@H]1c1cccs1 62208974 343372453 /nfs/dbraw/zinc/37/24/53/343372453.db2.gz RYNHLLRUCAHBAS-HZGVNTEJSA-N 0 3 196.275 0.979 20 0 ACADHN CN1C(=O)C[C@@H](N)[C@@H]1c1ccco1 62208978 343372511 /nfs/dbraw/zinc/37/25/11/343372511.db2.gz HQYKVGFVYXCBOI-HZGVNTEJSA-N 0 3 180.207 0.510 20 0 ACADHN CCC(=O)N1C[C@H](C)NC[C@H]1C 62566467 343375128 /nfs/dbraw/zinc/37/51/28/343375128.db2.gz HHRDBHBGNSPOHK-JGVFFNPUSA-N 0 3 170.256 0.605 20 0 ACADHN CCC(=O)N1CCNC(C)(C)C1 62566483 343375131 /nfs/dbraw/zinc/37/51/31/343375131.db2.gz WPYCDPOLFKKTPA-UHFFFAOYSA-N 0 3 170.256 0.607 20 0 ACADHN CCC(=O)N1CCNCC1(C)C 62566491 343375196 /nfs/dbraw/zinc/37/51/96/343375196.db2.gz WZRGFJFDYJINEU-UHFFFAOYSA-N 0 3 170.256 0.607 20 0 ACADHN CCC(=O)N1C[C@H](C)NC[C@@H]1C 62566444 343375351 /nfs/dbraw/zinc/37/53/51/343375351.db2.gz HHRDBHBGNSPOHK-YUMQZZPRSA-N 0 3 170.256 0.605 20 0 ACADHN CCC(=O)N1C[C@@H](C)NC[C@H]1C 62566470 343375436 /nfs/dbraw/zinc/37/54/36/343375436.db2.gz HHRDBHBGNSPOHK-HTQZYQBOSA-N 0 3 170.256 0.605 20 0 ACADHN C[C@H]1CN[C@H](C)CN1C(=O)C1CC1 62566868 343375508 /nfs/dbraw/zinc/37/55/08/343375508.db2.gz NKUFRBHSDQDUSZ-SFYZADRCSA-N 0 3 182.267 0.605 20 0 ACADHN C[C@H]1CN(C(=O)C2CC2)[C@@H](C)CN1 62566872 343375533 /nfs/dbraw/zinc/37/55/33/343375533.db2.gz NKUFRBHSDQDUSZ-YUMQZZPRSA-N 0 3 182.267 0.605 20 0 ACADHN CC1(C)CNCCN1C(=O)C1CC1 62566876 343375562 /nfs/dbraw/zinc/37/55/62/343375562.db2.gz RJKIENPJEVAIMD-UHFFFAOYSA-N 0 3 182.267 0.607 20 0 ACADHN C[C@H]1CN(C(=O)C2CC2)[C@H](C)CN1 62566870 343375583 /nfs/dbraw/zinc/37/55/83/343375583.db2.gz NKUFRBHSDQDUSZ-JGVFFNPUSA-N 0 3 182.267 0.605 20 0 ACADHN CCC(=O)N1C[C@@H](C)NC[C@@H]1C 62566447 343375587 /nfs/dbraw/zinc/37/55/87/343375587.db2.gz HHRDBHBGNSPOHK-SFYZADRCSA-N 0 3 170.256 0.605 20 0 ACADHN CCCC(=O)N1CCNC(C)(C)C1 62567019 343375990 /nfs/dbraw/zinc/37/59/90/343375990.db2.gz YRQBGVMPEUJCAL-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CCCC(=O)N1CCNCC1(C)C 62567039 343376102 /nfs/dbraw/zinc/37/61/02/343376102.db2.gz ZTIFXQWCIPRWNS-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN C[C@H]1CN(C(=O)N(C)C)[C@@H](C)CN1 62567213 343376107 /nfs/dbraw/zinc/37/61/07/343376107.db2.gz LIKVHLASDHICTB-YUMQZZPRSA-N 0 3 185.271 0.350 20 0 ACADHN C[C@H]1CN(C(=O)N(C)C)[C@H](C)CN1 62567212 343376151 /nfs/dbraw/zinc/37/61/51/343376151.db2.gz LIKVHLASDHICTB-JGVFFNPUSA-N 0 3 185.271 0.350 20 0 ACADHN CC(C)[C@@H]1CN(C(=O)C2CC2)CCN1 62567880 343376189 /nfs/dbraw/zinc/37/61/89/343376189.db2.gz YIMMIMAYCUMSLM-JTQLQIEISA-N 0 3 196.294 0.853 20 0 ACADHN CCCC(=O)N1C[C@H](C)NC[C@H]1C 62566995 343376245 /nfs/dbraw/zinc/37/62/45/343376245.db2.gz XAYYOLALMUJJHK-DTWKUNHWSA-N 0 3 184.283 0.995 20 0 ACADHN CCCC(=O)N1C[C@@H](C)NC[C@@H]1C 62566992 343376266 /nfs/dbraw/zinc/37/62/66/343376266.db2.gz XAYYOLALMUJJHK-BDAKNGLRSA-N 0 3 184.283 0.995 20 0 ACADHN CN(C)C(=O)N1CCNCC1(C)C 62567224 343376271 /nfs/dbraw/zinc/37/62/71/343376271.db2.gz NNTJIIPPOSJFDH-UHFFFAOYSA-N 0 3 185.271 0.352 20 0 ACADHN C[C@H]1CN[C@H](C)CN1C(=O)N(C)C 62567210 343376366 /nfs/dbraw/zinc/37/63/66/343376366.db2.gz LIKVHLASDHICTB-SFYZADRCSA-N 0 3 185.271 0.350 20 0 ACADHN CCC(=O)N1CCN[C@@H](C(C)C)C1 62567022 343376474 /nfs/dbraw/zinc/37/64/74/343376474.db2.gz LQTKIHDRDRAKQW-SECBINFHSA-N 0 3 184.283 0.853 20 0 ACADHN CC(C)[C@H]1CN(C(=O)C2CC2)CCN1 62567882 343376479 /nfs/dbraw/zinc/37/64/79/343376479.db2.gz YIMMIMAYCUMSLM-SNVBAGLBSA-N 0 3 196.294 0.853 20 0 ACADHN CCCC(=O)N1C[C@H](C)NC[C@@H]1C 62566990 343376533 /nfs/dbraw/zinc/37/65/33/343376533.db2.gz XAYYOLALMUJJHK-IUCAKERBSA-N 0 3 184.283 0.995 20 0 ACADHN CC(C)[C@@H]1CN(C(=O)N(C)C)CCN1 62568472 343376775 /nfs/dbraw/zinc/37/67/75/343376775.db2.gz NDDVBBXXPQUMAG-VIFPVBQESA-N 0 3 199.298 0.598 20 0 ACADHN CN(C)CCNC(=O)c1cscn1 62658198 343376823 /nfs/dbraw/zinc/37/68/23/343376823.db2.gz XYJSCDGTSDQRID-UHFFFAOYSA-N 0 3 199.279 0.435 20 0 ACADHN Cl/C=C/COC1CNC1 62809826 343380904 /nfs/dbraw/zinc/38/09/04/343380904.db2.gz QKXWBTFEXBPXRD-OWOJBTEDSA-N 0 3 147.605 0.727 20 0 ACADHN c1cc(COC2CNC2)on1 62809740 343380866 /nfs/dbraw/zinc/38/08/66/343380866.db2.gz ZXQQCZKDZITFQF-UHFFFAOYSA-N 0 3 154.169 0.163 20 0 ACADHN Cc1cccc(OC2CNC2)n1 62810071 343380885 /nfs/dbraw/zinc/38/08/85/343380885.db2.gz WCHNHHPLYMVXFQ-UHFFFAOYSA-N 0 3 164.208 0.741 20 0 ACADHN Cc1ncc(COC2CNC2)s1 62809950 343380891 /nfs/dbraw/zinc/38/08/91/343380891.db2.gz PYZMZXJSKDQROQ-UHFFFAOYSA-N 0 3 184.264 0.940 20 0 ACADHN Cc1ccc(OC2CNC2)nn1 62810090 343380920 /nfs/dbraw/zinc/38/09/20/343380920.db2.gz VAVKAWAAHRTEOZ-UHFFFAOYSA-N 0 3 165.196 0.136 20 0 ACADHN Cc1ccnc(OC2CNC2)c1 62810100 343380925 /nfs/dbraw/zinc/38/09/25/343380925.db2.gz XPWBCICTMUEUAN-UHFFFAOYSA-N 0 3 164.208 0.741 20 0 ACADHN c1coc(COC2CNC2)c1 62809872 343380971 /nfs/dbraw/zinc/38/09/71/343380971.db2.gz WVHUJMXPKOCLDE-UHFFFAOYSA-N 0 3 153.181 0.768 20 0 ACADHN C/C=C/COC1CNC1 62809829 343381107 /nfs/dbraw/zinc/38/11/07/343381107.db2.gz YYCLIMXDXGEQMO-NSCUHMNNSA-N 0 3 127.187 0.551 20 0 ACADHN Cc1nc(COC2CNC2)cs1 62809737 343381204 /nfs/dbraw/zinc/38/12/04/343381204.db2.gz ZEXIQTDRTGOMQY-UHFFFAOYSA-N 0 3 184.264 0.940 20 0 ACADHN c1nc(COC2CNC2)cs1 62809750 343381210 /nfs/dbraw/zinc/38/12/10/343381210.db2.gz BAHQUGBFWLZLQF-UHFFFAOYSA-N 0 3 170.237 0.632 20 0 ACADHN NC(=O)N1CC[C@H](N2CCCCC2)C1 62976558 343389105 /nfs/dbraw/zinc/38/91/05/343389105.db2.gz ZAUDUEBUKCLXFG-VIFPVBQESA-N 0 3 197.282 0.625 20 0 ACADHN NC(=O)N1CC[C@@H](N2CCCCC2)C1 62976557 343389513 /nfs/dbraw/zinc/38/95/13/343389513.db2.gz ZAUDUEBUKCLXFG-SECBINFHSA-N 0 3 197.282 0.625 20 0 ACADHN COC(=O)C[C@@H](N)c1ccoc1 63046637 343397704 /nfs/dbraw/zinc/39/77/04/343397704.db2.gz XNJUDVGLEPMZEH-SSDOTTSWSA-N 0 3 169.180 0.843 20 0 ACADHN COC(=O)C[C@H](N)c1ccoc1 63046636 343397767 /nfs/dbraw/zinc/39/77/67/343397767.db2.gz XNJUDVGLEPMZEH-ZETCQYMHSA-N 0 3 169.180 0.843 20 0 ACADHN Cc1cnc(NCCN(C)C)nc1 63048480 343398273 /nfs/dbraw/zinc/39/82/73/343398273.db2.gz BIUQYYSKRZENGC-UHFFFAOYSA-N 0 3 180.255 0.759 20 0 ACADHN CC1CCC(CNC(=O)CN)CC1 63146291 343402758 /nfs/dbraw/zinc/40/27/58/343402758.db2.gz UPRTZGGMFPDHMS-UHFFFAOYSA-N 0 3 184.283 0.888 20 0 ACADHN CN1CCC(CN(C)C(N)=O)CC1 63121335 343402887 /nfs/dbraw/zinc/40/28/87/343402887.db2.gz KYVWBICVWFTFII-UHFFFAOYSA-N 0 3 185.271 0.339 20 0 ACADHN N[C@@H]1C[C@@H]1C(=O)NCc1ccsc1 63152208 343402924 /nfs/dbraw/zinc/40/29/24/343402924.db2.gz SCWAXVZREKGUTI-JGVFFNPUSA-N 0 3 196.275 0.712 20 0 ACADHN CCN(CCO)CCc1cccnc1 63224143 343406563 /nfs/dbraw/zinc/40/65/63/343406563.db2.gz WETZAGYMDXLPTF-UHFFFAOYSA-N 0 3 194.278 0.938 20 0 ACADHN CCCNC(=O)CN(CC)CC 66212078 343409299 /nfs/dbraw/zinc/40/92/99/343409299.db2.gz AYPBWORFYZOASR-UHFFFAOYSA-N 0 3 172.272 0.854 20 0 ACADHN CC[C@@H](N)C(=O)NCCCSC 69013800 343421045 /nfs/dbraw/zinc/42/10/45/343421045.db2.gz OELYMGBSKHJTMM-SSDOTTSWSA-N 0 3 190.312 0.593 20 0 ACADHN CC(C)N[C@@H]1CCCS(=O)(=O)C1 68939265 343415570 /nfs/dbraw/zinc/41/55/70/343415570.db2.gz WYEWERDIORCRKP-MRVPVSSYSA-N 0 3 191.296 0.562 20 0 ACADHN CNCc1nc2c([nH]1)CCC2 68945931 343416220 /nfs/dbraw/zinc/41/62/20/343416220.db2.gz SOURVPXHMYCBGW-UHFFFAOYSA-N 0 3 151.213 0.618 20 0 ACADHN CCN(CC(N)=O)CC1CC1 68947830 343416494 /nfs/dbraw/zinc/41/64/94/343416494.db2.gz OSVGNKVBUNLCPI-UHFFFAOYSA-N 0 3 156.229 0.204 20 0 ACADHN CCOC[C@@H](O)CN(C)C1CC1 68950190 343417064 /nfs/dbraw/zinc/41/70/64/343417064.db2.gz NLGPYJTXXGQFEI-VIFPVBQESA-N 0 3 173.256 0.478 20 0 ACADHN CCOC[C@H](O)CN(C)C1CC1 68950186 343417129 /nfs/dbraw/zinc/41/71/29/343417129.db2.gz NLGPYJTXXGQFEI-SECBINFHSA-N 0 3 173.256 0.478 20 0 ACADHN CN[C@@H](C)C(=O)NCCSC 69013495 343420457 /nfs/dbraw/zinc/42/04/57/343420457.db2.gz ONKTXZGPRRSOIB-LURJTMIESA-N 0 3 176.285 0.074 20 0 ACADHN CSCCNC(=O)[C@@H](N)C(C)C 69013473 343420491 /nfs/dbraw/zinc/42/04/91/343420491.db2.gz LINVXMDTDIGHEQ-ZETCQYMHSA-N 0 3 190.312 0.449 20 0 ACADHN CSCCNC(=O)C(C)(C)N 69013543 343420564 /nfs/dbraw/zinc/42/05/64/343420564.db2.gz DAPRPODZBJUIJS-UHFFFAOYSA-N 0 3 176.285 0.203 20 0 ACADHN CSCCNC(=O)[C@H](N)C(C)C 69013475 343420568 /nfs/dbraw/zinc/42/05/68/343420568.db2.gz LINVXMDTDIGHEQ-SSDOTTSWSA-N 0 3 190.312 0.449 20 0 ACADHN CC[C@@H](N)C(=O)NCCSC 69013485 343420600 /nfs/dbraw/zinc/42/06/00/343420600.db2.gz HXMXYWQSZDRFMI-ZCFIWIBFSA-N 0 3 176.285 0.203 20 0 ACADHN CSCCNC(=O)CNC(C)C 69013458 343420623 /nfs/dbraw/zinc/42/06/23/343420623.db2.gz GQYYJAULHXXVCA-UHFFFAOYSA-N 0 3 190.312 0.464 20 0 ACADHN CC[C@H](N)C(=O)NCCSC 69013483 343420765 /nfs/dbraw/zinc/42/07/65/343420765.db2.gz HXMXYWQSZDRFMI-LURJTMIESA-N 0 3 176.285 0.203 20 0 ACADHN CSCCNC(=O)CNC1CC1 69013459 343420920 /nfs/dbraw/zinc/42/09/20/343420920.db2.gz ACMRCWIHNBGYOZ-UHFFFAOYSA-N 0 3 188.296 0.218 20 0 ACADHN CN[C@@H](C)C(=O)NCCCSC 69013812 343421025 /nfs/dbraw/zinc/42/10/25/343421025.db2.gz SBXXHYKMTJCMPY-ZETCQYMHSA-N 0 3 190.312 0.464 20 0 ACADHN CNCC(=O)NCCCSC 69013964 343421079 /nfs/dbraw/zinc/42/10/79/343421079.db2.gz IMYAMANUSBHZMW-UHFFFAOYSA-N 0 3 176.285 0.075 20 0 ACADHN CSCCCNC(=O)C(C)(C)N 69013869 343421154 /nfs/dbraw/zinc/42/11/54/343421154.db2.gz CDVJMWWWAUODNX-UHFFFAOYSA-N 0 3 190.312 0.593 20 0 ACADHN CSCCCNC(=O)[C@H](C)N 69013825 343421165 /nfs/dbraw/zinc/42/11/65/343421165.db2.gz OYJCLUOBOSNOPW-LURJTMIESA-N 0 3 176.285 0.203 20 0 ACADHN CSCCCNC(=O)[C@@H](C)N 69013827 343421268 /nfs/dbraw/zinc/42/12/68/343421268.db2.gz OYJCLUOBOSNOPW-ZCFIWIBFSA-N 0 3 176.285 0.203 20 0 ACADHN CC[C@H](N)C(=O)NCCCSC 69013799 343421297 /nfs/dbraw/zinc/42/12/97/343421297.db2.gz OELYMGBSKHJTMM-ZETCQYMHSA-N 0 3 190.312 0.593 20 0 ACADHN COC(=O)CCN(C)[C@H]1CCOC1 69624653 343427031 /nfs/dbraw/zinc/42/70/31/343427031.db2.gz ZWJAWDIGTKVLKO-QMMMGPOBSA-N 0 3 187.239 0.270 20 0 ACADHN NCc1cnn([C@H]2CCOC2)c1 69624900 343427135 /nfs/dbraw/zinc/42/71/35/343427135.db2.gz FWKNFCYUJUPPCM-QMMMGPOBSA-N 0 3 167.212 0.303 20 0 ACADHN CNCc1cnn([C@@H]2CCOC2)c1 69624955 343427140 /nfs/dbraw/zinc/42/71/40/343427140.db2.gz NOARBQBPSASNGH-SECBINFHSA-N 0 3 181.239 0.564 20 0 ACADHN CNCc1cnn([C@H]2CCOC2)c1 69624957 343427144 /nfs/dbraw/zinc/42/71/44/343427144.db2.gz NOARBQBPSASNGH-VIFPVBQESA-N 0 3 181.239 0.564 20 0 ACADHN C[C@H](O)CN(C)[C@@H]1CCOC1 69624760 343427185 /nfs/dbraw/zinc/42/71/85/343427185.db2.gz ZDCQETWFVVCJBL-JGVFFNPUSA-N 0 3 159.229 0.088 20 0 ACADHN C[C@@H]1CC[C@H](NC(=O)CN)[C@H](C)C1 69677224 343431691 /nfs/dbraw/zinc/43/16/91/343431691.db2.gz GTLHTHGLTJGONL-HLTSFMKQSA-N 0 3 184.283 0.886 20 0 ACADHN C[C@@H]1CC[C@@H](NC(=O)CN)[C@H](C)C1 69677228 343431982 /nfs/dbraw/zinc/43/19/82/343431982.db2.gz GTLHTHGLTJGONL-IWSPIJDZSA-N 0 3 184.283 0.886 20 0 ACADHN CC(C)(N)c1cn(CC(F)F)nn1 69679322 343432670 /nfs/dbraw/zinc/43/26/70/343432670.db2.gz VANLUGFMJSQKAW-UHFFFAOYSA-N 0 3 190.197 0.737 20 0 ACADHN CC[C@@H](O)Cn1cc(C(C)(C)N)nn1 69679309 343432727 /nfs/dbraw/zinc/43/27/27/343432727.db2.gz GUDKRZGGQQRXFF-SSDOTTSWSA-N 0 3 198.270 0.243 20 0 ACADHN CC[C@H](O)Cn1cc(C(C)(C)N)nn1 69679308 343432839 /nfs/dbraw/zinc/43/28/39/343432839.db2.gz GUDKRZGGQQRXFF-ZETCQYMHSA-N 0 3 198.270 0.243 20 0 ACADHN C[C@H]1CCCN(CC(=O)[O-])[C@@H]1C[NH3+] 69727307 343438338 /nfs/dbraw/zinc/43/83/38/343438338.db2.gz DCWSBLVWJQYWFT-JGVFFNPUSA-N 0 3 186.255 0.130 20 0 ACADHN C[C@@H](N)C(=O)N(C)c1cccnc1 69764050 343440342 /nfs/dbraw/zinc/44/03/42/343440342.db2.gz MBHZJRDTWQUBDL-SSDOTTSWSA-N 0 3 179.223 0.392 20 0 ACADHN C[C@H](N)C(=O)N(C)c1cccnc1 69764049 343440354 /nfs/dbraw/zinc/44/03/54/343440354.db2.gz MBHZJRDTWQUBDL-ZETCQYMHSA-N 0 3 179.223 0.392 20 0 ACADHN CC[C@H](N)C(=O)N(C)c1cccnc1 69764051 343440597 /nfs/dbraw/zinc/44/05/97/343440597.db2.gz FDMMKNKBRDHWIN-VIFPVBQESA-N 0 3 193.250 0.782 20 0 ACADHN CN(C(=O)[C@@H]1C[C@@H]1N)c1cccnc1 69763930 343440641 /nfs/dbraw/zinc/44/06/41/343440641.db2.gz PHRVHEVQKGGQBV-BDAKNGLRSA-N 0 3 191.234 0.392 20 0 ACADHN CC1(C)CCCN(C(=O)[C@@H]2C[C@@H]2N)C1 69792763 343441776 /nfs/dbraw/zinc/44/17/76/343441776.db2.gz WBVRUIKXKQTENU-BDAKNGLRSA-N 0 3 196.294 0.982 20 0 ACADHN CC1(C)CCCN(C(=O)CN)C1 69793986 343442178 /nfs/dbraw/zinc/44/21/78/343442178.db2.gz CFUJOSWDZOXXBL-UHFFFAOYSA-N 0 3 170.256 0.594 20 0 ACADHN CN1C(=O)C[C@H](N)[C@@H]1c1ccsc1 69797914 343442675 /nfs/dbraw/zinc/44/26/75/343442675.db2.gz VXUBIIGLKCZZOF-CBAPKCEASA-N 0 3 196.275 0.979 20 0 ACADHN CN1CC[C@H](N)[C@@H]1c1ccco1 69798852 343442860 /nfs/dbraw/zinc/44/28/60/343442860.db2.gz NJZYCMMWVOFQMN-IONNQARKSA-N 0 3 166.224 0.984 20 0 ACADHN CN1C(=O)C[C@@H](N)[C@H]1c1ccsc1 69797908 343443237 /nfs/dbraw/zinc/44/32/37/343443237.db2.gz VXUBIIGLKCZZOF-VXNVDRBHSA-N 0 3 196.275 0.979 20 0 ACADHN CN1C(=O)C[C@@H](N)[C@@H]1c1ccsc1 69797910 343443282 /nfs/dbraw/zinc/44/32/82/343443282.db2.gz VXUBIIGLKCZZOF-APPZFPTMSA-N 0 3 196.275 0.979 20 0 ACADHN CN1C(=O)C[C@H](N)[C@H]1c1ccsc1 69797912 343443365 /nfs/dbraw/zinc/44/33/65/343443365.db2.gz VXUBIIGLKCZZOF-IONNQARKSA-N 0 3 196.275 0.979 20 0 ACADHN CN1CC[C@@H](N)[C@@H]1c1ccco1 69798854 343443376 /nfs/dbraw/zinc/44/33/76/343443376.db2.gz NJZYCMMWVOFQMN-VXNVDRBHSA-N 0 3 166.224 0.984 20 0 ACADHN C[C@@H]1C[C@@H](NCc2nc[nH]n2)CCO1 69889267 343450955 /nfs/dbraw/zinc/45/09/55/343450955.db2.gz CZERCYDQMOOUFP-SFYZADRCSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@@H]1C[C@@H](NCc2nnc[nH]2)CCO1 69889267 343450956 /nfs/dbraw/zinc/45/09/56/343450956.db2.gz CZERCYDQMOOUFP-SFYZADRCSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@H]1C[C@H](NCc2nc[nH]n2)CCO1 69889266 343450968 /nfs/dbraw/zinc/45/09/68/343450968.db2.gz CZERCYDQMOOUFP-JGVFFNPUSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@H]1C[C@H](NCc2nnc[nH]2)CCO1 69889266 343450970 /nfs/dbraw/zinc/45/09/70/343450970.db2.gz CZERCYDQMOOUFP-JGVFFNPUSA-N 0 3 196.254 0.462 20 0 ACADHN C[C@H]1CNCCN1c1nncs1 69967354 343461483 /nfs/dbraw/zinc/46/14/83/343461483.db2.gz CUHPSALQAJECRN-LURJTMIESA-N 0 3 184.268 0.336 20 0 ACADHN C[C@@H]1CNCCN1c1nncs1 69967350 343461614 /nfs/dbraw/zinc/46/16/14/343461614.db2.gz CUHPSALQAJECRN-ZCFIWIBFSA-N 0 3 184.268 0.336 20 0 ACADHN NCc1cc(-c2cnccn2)n[nH]1 70025210 343467580 /nfs/dbraw/zinc/46/75/80/343467580.db2.gz SMRQJZJQGIGAPZ-UHFFFAOYSA-N 0 3 175.195 0.325 20 0 ACADHN CNCc1cc(-c2cnccn2)n[nH]1 70025213 343467628 /nfs/dbraw/zinc/46/76/28/343467628.db2.gz PRNCEGPLFWNTEA-UHFFFAOYSA-N 0 3 189.222 0.586 20 0 ACADHN N[C@H]1CCCN(C2CC2)C1=O 70061698 343471131 /nfs/dbraw/zinc/47/11/31/343471131.db2.gz ZYUGBLNFQSQSEU-ZETCQYMHSA-N 0 3 154.213 0.099 20 0 ACADHN N[C@@H]1CCCN(C2CC2)C1=O 70061699 343471181 /nfs/dbraw/zinc/47/11/81/343471181.db2.gz ZYUGBLNFQSQSEU-SSDOTTSWSA-N 0 3 154.213 0.099 20 0 ACADHN CC(C)N1CCC[C@H](N)C1=O 70061972 343471701 /nfs/dbraw/zinc/47/17/01/343471701.db2.gz FBOJEOJUQILPQS-ZETCQYMHSA-N 0 3 156.229 0.345 20 0 ACADHN CC(C)N1CCC[C@@H](N)C1=O 70061973 343471831 /nfs/dbraw/zinc/47/18/31/343471831.db2.gz FBOJEOJUQILPQS-SSDOTTSWSA-N 0 3 156.229 0.345 20 0 ACADHN NC(=O)CN(CC1CC1)CC1CC1 70064437 343473317 /nfs/dbraw/zinc/47/33/17/343473317.db2.gz KBWRJAOTTBJIJQ-UHFFFAOYSA-N 0 3 182.267 0.594 20 0 ACADHN C[C@@H](C(N)=O)N(C)CC1CCCC1 70158353 343475501 /nfs/dbraw/zinc/47/55/01/343475501.db2.gz RLEGRIKEMGDOJO-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H]1CCCN([C@@H](C)C(N)=O)CC1 70158202 343475534 /nfs/dbraw/zinc/47/55/34/343475534.db2.gz PINCLXTZLCWAGA-IUCAKERBSA-N 0 3 184.283 0.982 20 0 ACADHN CNC(=O)CCCNCc1ccco1 70169085 343476633 /nfs/dbraw/zinc/47/66/33/343476633.db2.gz TWRXUPLKURMFKD-UHFFFAOYSA-N 0 3 196.250 0.895 20 0 ACADHN CSCCNCc1cnn(C)c1 70184186 343477375 /nfs/dbraw/zinc/47/73/75/343477375.db2.gz WVPLKEXOYGKYIC-UHFFFAOYSA-N 0 3 185.296 0.873 20 0 ACADHN CNCC(=O)Nc1ccccc1O 70203948 343478762 /nfs/dbraw/zinc/47/87/62/343478762.db2.gz RNQZOOWQNUQBON-UHFFFAOYSA-N 0 3 180.207 0.550 20 0 ACADHN Cc1n[nH]cc1C(=O)NCCN(C)C 70212341 343478832 /nfs/dbraw/zinc/47/88/32/343478832.db2.gz XCRBULTZOWIFOZ-UHFFFAOYSA-N 0 3 196.254 0.010 20 0 ACADHN C[C@H](N)C(=O)Nc1ccccc1O 70203933 343478970 /nfs/dbraw/zinc/47/89/70/343478970.db2.gz WNCZAFDYTPWAOB-LURJTMIESA-N 0 3 180.207 0.678 20 0 ACADHN CC(=O)N(C)C1CCN(C)CC1 70222934 343479274 /nfs/dbraw/zinc/47/92/74/343479274.db2.gz HOCBEKFOJAMXPL-UHFFFAOYSA-N 0 3 170.256 0.559 20 0 ACADHN CC(=O)NC1CCN(C)CC1 70224656 343480337 /nfs/dbraw/zinc/48/03/37/343480337.db2.gz WHTUWYBGTLLCKF-UHFFFAOYSA-N 0 3 156.229 0.217 20 0 ACADHN CCOCC(=O)NC[C@H](C)N(C)C 70226239 343481179 /nfs/dbraw/zinc/48/11/79/343481179.db2.gz REUIGVDJDAPVAS-QMMMGPOBSA-N 0 3 188.271 0.089 20 0 ACADHN C[C@@H](CNC(=O)C1CC1)N(C)C 70226242 343481189 /nfs/dbraw/zinc/48/11/89/343481189.db2.gz KROYPECJEJDQJK-ZETCQYMHSA-N 0 3 170.256 0.463 20 0 ACADHN CC(=O)NC1CCN(C2CC2)CC1 70226280 343481329 /nfs/dbraw/zinc/48/13/29/343481329.db2.gz WTVQVXGIOAACCW-UHFFFAOYSA-N 0 3 182.267 0.749 20 0 ACADHN CC(=O)NC[C@@H](C)N(C)C 70226255 343481374 /nfs/dbraw/zinc/48/13/74/343481374.db2.gz BZVQHCSAMAIMNV-ZCFIWIBFSA-N 0 3 144.218 0.073 20 0 ACADHN CC(=O)NC[C@H](C)N(C)C 70226254 343481440 /nfs/dbraw/zinc/48/14/40/343481440.db2.gz BZVQHCSAMAIMNV-LURJTMIESA-N 0 3 144.218 0.073 20 0 ACADHN CC(=O)N1CCN(C(C)(C)C)CC1 70227348 343482328 /nfs/dbraw/zinc/48/23/28/343482328.db2.gz HZLSJYZNVZVXQE-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN CC(=O)NCCN(C)C1CC1 70228435 343483707 /nfs/dbraw/zinc/48/37/07/343483707.db2.gz MROSBWNOEXYEDZ-UHFFFAOYSA-N 0 3 156.229 0.217 20 0 ACADHN CCC(=O)NCCN(C)C1CC1 70228433 343483727 /nfs/dbraw/zinc/48/37/27/343483727.db2.gz WBHVOMWYWMUHNP-UHFFFAOYSA-N 0 3 170.256 0.607 20 0 ACADHN CN(CCNC(=O)C1CC1)C1CC1 70228434 343483741 /nfs/dbraw/zinc/48/37/41/343483741.db2.gz LDSLYIQOVTYBBA-UHFFFAOYSA-N 0 3 182.267 0.607 20 0 ACADHN CC(C)C(=O)NCCN(C)C1CC1 70228436 343483780 /nfs/dbraw/zinc/48/37/80/343483780.db2.gz WLKHDJZDVJHPMG-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN CCCC(=O)NCCN(C)C1CC1 70228432 343483784 /nfs/dbraw/zinc/48/37/84/343483784.db2.gz RDWJAIVMWRQINK-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CC(=O)NC[C@@H]1CCCN(C)C1 70232620 343484146 /nfs/dbraw/zinc/48/41/46/343484146.db2.gz SJEBRSHGAPQRIL-VIFPVBQESA-N 0 3 170.256 0.464 20 0 ACADHN CCN(C)CCNC(=O)C(C)C 70232526 343484254 /nfs/dbraw/zinc/48/42/54/343484254.db2.gz PRHQOOIFKRBGHP-UHFFFAOYSA-N 0 3 172.272 0.710 20 0 ACADHN CCN(C)CCNC(C)=O 70232524 343484284 /nfs/dbraw/zinc/48/42/84/343484284.db2.gz ZBQCNSKMULDELI-UHFFFAOYSA-N 0 3 144.218 0.074 20 0 ACADHN CC(=O)NC[C@H]1CCCN(C)C1 70232622 343484363 /nfs/dbraw/zinc/48/43/63/343484363.db2.gz SJEBRSHGAPQRIL-SECBINFHSA-N 0 3 170.256 0.464 20 0 ACADHN COC[C@H](O)CNCc1cccn1C 70589079 343498567 /nfs/dbraw/zinc/49/85/67/343498567.db2.gz ANGOODQFDCERHV-SNVBAGLBSA-N 0 3 198.266 0.122 20 0 ACADHN CC[C@H]1CCCN(CC(N)=O)CC1 70609745 343501807 /nfs/dbraw/zinc/50/18/07/343501807.db2.gz ZIUJOHUMEWHSJH-VIFPVBQESA-N 0 3 184.283 0.984 20 0 ACADHN CC[C@@H]1CCCN(CC(N)=O)CC1 70609744 343501816 /nfs/dbraw/zinc/50/18/16/343501816.db2.gz ZIUJOHUMEWHSJH-SECBINFHSA-N 0 3 184.283 0.984 20 0 ACADHN CCNCC(=O)Nc1ccccc1O 70609671 343501829 /nfs/dbraw/zinc/50/18/29/343501829.db2.gz IXRRGWPXFPYGJN-UHFFFAOYSA-N 0 3 194.234 0.940 20 0 ACADHN CN[C@@H](C)C(=O)Nc1ccccc1O 70609696 343501970 /nfs/dbraw/zinc/50/19/70/343501970.db2.gz OZXWSCYAFADJSL-ZETCQYMHSA-N 0 3 194.234 0.939 20 0 ACADHN CC[C@H]1CCCN(C(=O)CN)CC1 70613382 343503044 /nfs/dbraw/zinc/50/30/44/343503044.db2.gz SNEIOSFWWUTIQY-VIFPVBQESA-N 0 3 184.283 0.984 20 0 ACADHN CC[C@@H]1CCCN(C(=O)CN)CC1 70613381 343503284 /nfs/dbraw/zinc/50/32/84/343503284.db2.gz SNEIOSFWWUTIQY-SECBINFHSA-N 0 3 184.283 0.984 20 0 ACADHN CC(C)NCc1ccn(C)n1 70621314 343504729 /nfs/dbraw/zinc/50/47/29/343504729.db2.gz WEOZNIRQYWADMQ-UHFFFAOYSA-N 0 3 153.229 0.918 20 0 ACADHN CC[C@H](COC)NCc1ccnn1C 70624444 343506677 /nfs/dbraw/zinc/50/66/77/343506677.db2.gz WIKXEHCNKNYXLH-SECBINFHSA-N 0 3 197.282 0.935 20 0 ACADHN CC[C@H](COC)NCc1cnn(C)c1 70624238 343506721 /nfs/dbraw/zinc/50/67/21/343506721.db2.gz KJZNMAYWRCUCHO-SNVBAGLBSA-N 0 3 197.282 0.935 20 0 ACADHN CC[C@@H](COC)NCc1cnn(C)c1 70624237 343506753 /nfs/dbraw/zinc/50/67/53/343506753.db2.gz KJZNMAYWRCUCHO-JTQLQIEISA-N 0 3 197.282 0.935 20 0 ACADHN CC[C@H](COC)NCc1cncnc1 70625044 343506842 /nfs/dbraw/zinc/50/68/42/343506842.db2.gz XOYULPPWIMZLSQ-SNVBAGLBSA-N 0 3 195.266 0.991 20 0 ACADHN CC[C@@H](COC)NCc1ccnn1C 70624443 343506881 /nfs/dbraw/zinc/50/68/81/343506881.db2.gz WIKXEHCNKNYXLH-VIFPVBQESA-N 0 3 197.282 0.935 20 0 ACADHN Cc1csc([C@H](C)NC(=O)CN)n1 70634204 343511190 /nfs/dbraw/zinc/51/11/90/343511190.db2.gz YGXNWNCMFAGGGU-LURJTMIESA-N 0 3 199.279 0.587 20 0 ACADHN Cc1csc([C@@H](C)NC(=O)CN)n1 70634203 343511377 /nfs/dbraw/zinc/51/13/77/343511377.db2.gz YGXNWNCMFAGGGU-ZCFIWIBFSA-N 0 3 199.279 0.587 20 0 ACADHN CC[C@](C)(CO)NCc1c[nH]nc1C 70650119 343518479 /nfs/dbraw/zinc/51/84/79/343518479.db2.gz QDWWJPPSHRUICQ-SNVBAGLBSA-N 0 3 197.282 0.969 20 0 ACADHN CC[C@@](C)(CO)NCc1c[nH]nc1C 70650118 343518598 /nfs/dbraw/zinc/51/85/98/343518598.db2.gz QDWWJPPSHRUICQ-JTQLQIEISA-N 0 3 197.282 0.969 20 0 ACADHN CNCc1cnn(C2CCOCC2)c1 70650889 343519109 /nfs/dbraw/zinc/51/91/09/343519109.db2.gz NVHKMSISAZYNMO-UHFFFAOYSA-N 0 3 195.266 0.954 20 0 ACADHN C[C@@H](N)C(=O)N[C@H]1CCC[C@H]1C 70834076 343535150 /nfs/dbraw/zinc/53/51/50/343535150.db2.gz BYJGWGHWSNEYKX-PRJMDXOYSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@H](N)C(=O)N[C@H]1CCC[C@H]1C 70833909 343535157 /nfs/dbraw/zinc/53/51/57/343535157.db2.gz BYJGWGHWSNEYKX-CSMHCCOUSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1C 70833916 343535162 /nfs/dbraw/zinc/53/51/62/343535162.db2.gz BYJGWGHWSNEYKX-BIIVOSGPSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@H](N)C(=O)N[C@H]1CCC[C@@H]1C 70833911 343535222 /nfs/dbraw/zinc/53/52/22/343535222.db2.gz BYJGWGHWSNEYKX-FXQIFTODSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@H]1CCC[C@H]1NC(=O)[C@@H](C)N 70834086 343535238 /nfs/dbraw/zinc/53/52/38/343535238.db2.gz BYJGWGHWSNEYKX-XLPZGREQSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1CCC[C@H]1C 70833913 343535320 /nfs/dbraw/zinc/53/53/20/343535320.db2.gz BYJGWGHWSNEYKX-GJMOJQLCSA-N 0 3 170.256 0.638 20 0 ACADHN Cc1ncsc1CNC(=O)CN 70837542 343536356 /nfs/dbraw/zinc/53/63/56/343536356.db2.gz NTWJRUUHZFKUMB-UHFFFAOYSA-N 0 3 185.252 0.026 20 0 ACADHN Cc1ncsc1CNC(=O)[C@H](C)N 70837503 343536407 /nfs/dbraw/zinc/53/64/07/343536407.db2.gz LMVMTMJISYLBDO-YFKPBYRVSA-N 0 3 199.279 0.415 20 0 ACADHN Cc1ncsc1CNC(=O)[C@@H](C)N 70837539 343536450 /nfs/dbraw/zinc/53/64/50/343536450.db2.gz LMVMTMJISYLBDO-RXMQYKEDSA-N 0 3 199.279 0.415 20 0 ACADHN OC1CN(CCN2CCCCC2)C1 70839159 343536941 /nfs/dbraw/zinc/53/69/41/343536941.db2.gz YGOLQOHPGPRRKG-UHFFFAOYSA-N 0 3 184.283 0.149 20 0 ACADHN O[C@H](CNCc1cccnc1)C1CC1 70880107 343538014 /nfs/dbraw/zinc/53/80/14/343538014.db2.gz BVUCKIRTNWMJHS-LLVKDONJSA-N 0 3 192.262 0.942 20 0 ACADHN Cc1n[nH]cc1CNC[C@H](O)C1CC1 70881749 343537977 /nfs/dbraw/zinc/53/79/77/343537977.db2.gz FBVQKMAIHREYPB-JTQLQIEISA-N 0 3 195.266 0.579 20 0 ACADHN Cn1cc(CNC[C@H](O)C2CC2)cn1 70881515 343537996 /nfs/dbraw/zinc/53/79/96/343537996.db2.gz VZVFSVYPDYBDAL-JTQLQIEISA-N 0 3 195.266 0.281 20 0 ACADHN O[C@H](CNCc1ccccn1)C1CC1 70881077 343538043 /nfs/dbraw/zinc/53/80/43/343538043.db2.gz YFWCQONQVOXGNR-LLVKDONJSA-N 0 3 192.262 0.942 20 0 ACADHN Cc1n[nH]cc1CNC[C@@H](O)C1CC1 70881754 343538055 /nfs/dbraw/zinc/53/80/55/343538055.db2.gz FBVQKMAIHREYPB-SNVBAGLBSA-N 0 3 195.266 0.579 20 0 ACADHN Cn1cccc1CNC[C@@H](O)C1CC1 70856240 343538073 /nfs/dbraw/zinc/53/80/73/343538073.db2.gz POUKAAXNAPWDOH-LLVKDONJSA-N 0 3 194.278 0.886 20 0 ACADHN O[C@H](CNCc1ccncc1)C1CC1 70880171 343538119 /nfs/dbraw/zinc/53/81/19/343538119.db2.gz UNEWHHSOECUQNX-LLVKDONJSA-N 0 3 192.262 0.942 20 0 ACADHN O[C@@H](CNCc1cccnc1)C1CC1 70880104 343538175 /nfs/dbraw/zinc/53/81/75/343538175.db2.gz BVUCKIRTNWMJHS-NSHDSACASA-N 0 3 192.262 0.942 20 0 ACADHN Cn1cccc1CNC[C@H](O)C1CC1 70856231 343538217 /nfs/dbraw/zinc/53/82/17/343538217.db2.gz POUKAAXNAPWDOH-NSHDSACASA-N 0 3 194.278 0.886 20 0 ACADHN O[C@@H](CNCc1ccccn1)C1CC1 70881066 343538223 /nfs/dbraw/zinc/53/82/23/343538223.db2.gz YFWCQONQVOXGNR-NSHDSACASA-N 0 3 192.262 0.942 20 0 ACADHN O[C@@H](CNCc1ccncc1)C1CC1 70880163 343538394 /nfs/dbraw/zinc/53/83/94/343538394.db2.gz UNEWHHSOECUQNX-NSHDSACASA-N 0 3 192.262 0.942 20 0 ACADHN Cn1cc(CNC[C@@H](O)C2CC2)cn1 70881518 343538410 /nfs/dbraw/zinc/53/84/10/343538410.db2.gz VZVFSVYPDYBDAL-SNVBAGLBSA-N 0 3 195.266 0.281 20 0 ACADHN Cc1cnc(C(C)(C)N)nc1 70948597 343542823 /nfs/dbraw/zinc/54/28/23/343542823.db2.gz AMZJDJRNXWEDJF-UHFFFAOYSA-N 0 3 151.213 0.979 20 0 ACADHN Cc1cc(=O)[n-]c(C[C@@H](C)[NH3+])n1 70949165 343543447 /nfs/dbraw/zinc/54/34/47/343543447.db2.gz LZCAGKAHFHDQEV-RXMQYKEDSA-N 0 3 167.212 0.380 20 0 ACADHN Cc1ccncc1NC(=O)[C@@H]1C[C@@H]1N 70956706 343544357 /nfs/dbraw/zinc/54/43/57/343544357.db2.gz OUTGSCFAKMCZMK-SFYZADRCSA-N 0 3 191.234 0.676 20 0 ACADHN Cn1cc(CN[C@H]2CCOC2)cn1 70968325 343545505 /nfs/dbraw/zinc/54/55/05/343545505.db2.gz JAYIVLQIASXAAY-VIFPVBQESA-N 0 3 181.239 0.299 20 0 ACADHN Cn1cc(CN[C@@H]2CCOC2)cn1 70968321 343545819 /nfs/dbraw/zinc/54/58/19/343545819.db2.gz JAYIVLQIASXAAY-SECBINFHSA-N 0 3 181.239 0.299 20 0 ACADHN CN(C)C(=O)[C@@H]1CCCN1C 79045611 343586139 /nfs/dbraw/zinc/58/61/39/343586139.db2.gz RCIRTKHQGURBKQ-ZETCQYMHSA-N 0 3 156.229 0.169 20 0 ACADHN C[C@@H]([NH3+])Cc1nccc(=O)[n-]1 71024835 343549184 /nfs/dbraw/zinc/54/91/84/343549184.db2.gz XJODHJCWLRBYRZ-RXMQYKEDSA-N 0 3 153.185 0.072 20 0 ACADHN CC[C@@H]([NH3+])Cc1nccc(=O)[n-]1 71024841 343549434 /nfs/dbraw/zinc/54/94/34/343549434.db2.gz UXZDLDBMTUWZMH-ZCFIWIBFSA-N 0 3 167.212 0.050 20 0 ACADHN CC[C@H]([NH3+])Cc1nccc(=O)[n-]1 71024838 343549447 /nfs/dbraw/zinc/54/94/47/343549447.db2.gz UXZDLDBMTUWZMH-LURJTMIESA-N 0 3 167.212 0.050 20 0 ACADHN C[C@H]([NH3+])Cc1nccc(=O)[n-]1 71024833 343549580 /nfs/dbraw/zinc/54/95/80/343549580.db2.gz XJODHJCWLRBYRZ-YFKPBYRVSA-N 0 3 153.185 0.072 20 0 ACADHN CCc1ccnc(C(=N)N)c1 71186673 343551442 /nfs/dbraw/zinc/55/14/42/343551442.db2.gz UZRHFFLMLDOFMS-UHFFFAOYSA-N 0 3 149.197 0.928 20 0 ACADHN CCc1cccnc1C(=N)N 71186749 343551489 /nfs/dbraw/zinc/55/14/89/343551489.db2.gz FZBCMTCGNZXGQO-UHFFFAOYSA-N 0 3 149.197 0.928 20 0 ACADHN CCC(=O)N1CCN[C@H](C)[C@H]1C 71496545 343554418 /nfs/dbraw/zinc/55/44/18/343554418.db2.gz IVXJLXZUHXCUCQ-HTQZYQBOSA-N 0 3 170.256 0.605 20 0 ACADHN CCC(=O)N1CCN[C@@H](C)[C@@H]1C 71496543 343554616 /nfs/dbraw/zinc/55/46/16/343554616.db2.gz IVXJLXZUHXCUCQ-YUMQZZPRSA-N 0 3 170.256 0.605 20 0 ACADHN CCC(=O)N1CCN[C@H](C)[C@@H]1C 71496542 343554642 /nfs/dbraw/zinc/55/46/42/343554642.db2.gz IVXJLXZUHXCUCQ-SFYZADRCSA-N 0 3 170.256 0.605 20 0 ACADHN CCC(=O)N1CCN[C@@H](C)[C@H]1C 71496547 343554727 /nfs/dbraw/zinc/55/47/27/343554727.db2.gz IVXJLXZUHXCUCQ-JGVFFNPUSA-N 0 3 170.256 0.605 20 0 ACADHN CCCC(=O)N1CCN[C@@H](C)[C@H]1C 71499568 343554955 /nfs/dbraw/zinc/55/49/55/343554955.db2.gz CYLGOAWGTMUFHA-DTWKUNHWSA-N 0 3 184.283 0.995 20 0 ACADHN C[C@H]1[C@@H](C)NCCN1C(=O)C1CC1 71499163 343555046 /nfs/dbraw/zinc/55/50/46/343555046.db2.gz KGJIIKKWXKLPHM-SFYZADRCSA-N 0 3 182.267 0.605 20 0 ACADHN CCCC(=O)N1CCN[C@@H](C)[C@@H]1C 71499565 343555090 /nfs/dbraw/zinc/55/50/90/343555090.db2.gz CYLGOAWGTMUFHA-IUCAKERBSA-N 0 3 184.283 0.995 20 0 ACADHN CCCC(=O)N1CCN[C@H](C)[C@@H]1C 71499564 343555210 /nfs/dbraw/zinc/55/52/10/343555210.db2.gz CYLGOAWGTMUFHA-BDAKNGLRSA-N 0 3 184.283 0.995 20 0 ACADHN C[C@H]1NCCN(C(=O)C2CC2)[C@@H]1C 71499168 343555214 /nfs/dbraw/zinc/55/52/14/343555214.db2.gz KGJIIKKWXKLPHM-HTQZYQBOSA-N 0 3 182.267 0.605 20 0 ACADHN CCCC(=O)N1CCN[C@H](C)[C@H]1C 71499566 343555307 /nfs/dbraw/zinc/55/53/07/343555307.db2.gz CYLGOAWGTMUFHA-RKDXNWHRSA-N 0 3 184.283 0.995 20 0 ACADHN COC(=O)CSCCN(C)C 82237505 343596675 /nfs/dbraw/zinc/59/66/75/343596675.db2.gz ZROSWJUQQYSICL-UHFFFAOYSA-N 0 3 177.269 0.454 20 0 ACADHN CN(C)CCSCCC(N)=O 82703598 343610718 /nfs/dbraw/zinc/61/07/18/343610718.db2.gz VVCIPNDGZXDIHW-UHFFFAOYSA-N 0 3 176.285 0.157 20 0 ACADHN CC(=O)Nc1cnn(CCN(C)C)c1 72246978 343567589 /nfs/dbraw/zinc/56/75/89/343567589.db2.gz KMVBBLSEPYHTAG-UHFFFAOYSA-N 0 3 196.254 0.403 20 0 ACADHN NCc1cc(-c2ccncc2)ncn1 74280542 343571590 /nfs/dbraw/zinc/57/15/90/343571590.db2.gz CDJMNDVHGMJQGD-UHFFFAOYSA-N 0 3 186.218 0.997 20 0 ACADHN Cc1cn[nH]c1CN1CCC[C@H]1CO 74243496 343571603 /nfs/dbraw/zinc/57/16/03/343571603.db2.gz ATHHYVSDKBNVFC-VIFPVBQESA-N 0 3 195.266 0.675 20 0 ACADHN NCc1[nH]nc2c1CSCC2 74331042 343572262 /nfs/dbraw/zinc/57/22/62/343572262.db2.gz CEKQVPUCXHVXOT-UHFFFAOYSA-N 0 3 169.253 0.658 20 0 ACADHN Cc1cn[nH]c1CN1CC[C@@H](O)C1 74301799 343572308 /nfs/dbraw/zinc/57/23/08/343572308.db2.gz VQUWTLXVQUTCIP-MRVPVSSYSA-N 0 3 181.239 0.285 20 0 ACADHN CCN(CC)C(=O)CN1CCCC1 74693495 343573241 /nfs/dbraw/zinc/57/32/41/343573241.db2.gz ULWUYWVWKDYFTL-UHFFFAOYSA-N 0 3 184.283 0.951 20 0 ACADHN Cc1cc(C(=O)NCCN(C)C)[nH]n1 74684729 343573273 /nfs/dbraw/zinc/57/32/73/343573273.db2.gz TWTVSJFIRKZNLJ-UHFFFAOYSA-N 0 3 196.254 0.010 20 0 ACADHN CN(C)CCNC(=O)c1cc[nH]c1 74701682 343573454 /nfs/dbraw/zinc/57/34/54/343573454.db2.gz BYCICFIAKTXHDH-UHFFFAOYSA-N 0 3 181.239 0.306 20 0 ACADHN CC(C)NC(=O)NC1CCN(C)CC1 74904830 343574696 /nfs/dbraw/zinc/57/46/96/343574696.db2.gz IAYRZXWGMGCZKZ-UHFFFAOYSA-N 0 3 199.298 0.788 20 0 ACADHN CC(C)NC(=O)N[C@H]1CCN(C)C1 74904993 343574774 /nfs/dbraw/zinc/57/47/74/343574774.db2.gz ZKNAINGPJAIFJS-QMMMGPOBSA-N 0 3 185.271 0.398 20 0 ACADHN CC(C)NC(=O)N[C@@H]1CCN(C)C1 74904992 343574871 /nfs/dbraw/zinc/57/48/71/343574871.db2.gz ZKNAINGPJAIFJS-MRVPVSSYSA-N 0 3 185.271 0.398 20 0 ACADHN CCC(=O)N(C)CCN1CCCC1 74917581 343574948 /nfs/dbraw/zinc/57/49/48/343574948.db2.gz USHCJLQDLFVUDO-UHFFFAOYSA-N 0 3 184.283 0.951 20 0 ACADHN CN(CCN1CCCC1)C(=O)C1CC1 74917588 343575074 /nfs/dbraw/zinc/57/50/74/343575074.db2.gz RTUMVCCZVNYJON-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN CN(C)Cc1cccc(C(N)=O)c1 75847342 343579001 /nfs/dbraw/zinc/57/90/01/343579001.db2.gz NAMXFXQPDWOSQM-UHFFFAOYSA-N 0 3 178.235 0.847 20 0 ACADHN CC1(C)C[C@]2(CCO1)CNCCO2 76630661 343579997 /nfs/dbraw/zinc/57/99/97/343579997.db2.gz VNOXKNFKOAWHID-SNVBAGLBSA-N 0 3 185.267 0.934 20 0 ACADHN CC1(C)C[C@@]2(CCO1)CNCCO2 76630656 343580239 /nfs/dbraw/zinc/58/02/39/343580239.db2.gz VNOXKNFKOAWHID-JTQLQIEISA-N 0 3 185.267 0.934 20 0 ACADHN CC[C@H]1CCN(C(=O)CN)C1 77260950 343580772 /nfs/dbraw/zinc/58/07/72/343580772.db2.gz DXDWXYSMYGPQQU-ZETCQYMHSA-N 0 3 156.229 0.204 20 0 ACADHN CC(C)[C@@H](N)C(=O)Nc1ccnn1C 77503764 343581082 /nfs/dbraw/zinc/58/10/82/343581082.db2.gz RGBPOILXGUMFGU-MRVPVSSYSA-N 0 3 196.254 0.342 20 0 ACADHN CCCN1CCC[C@@H]1C(N)=O 78446301 343583330 /nfs/dbraw/zinc/58/33/30/343583330.db2.gz GFSPQSVWDMEDQH-SSDOTTSWSA-N 0 3 156.229 0.346 20 0 ACADHN Cc1n[nH]c(C)c1CNCC[C@H](C)O 78781874 343584957 /nfs/dbraw/zinc/58/49/57/343584957.db2.gz GUHAOWLBJXAOHS-ZETCQYMHSA-N 0 3 197.282 0.887 20 0 ACADHN Cc1n[nH]cc1CNCC[C@@H](C)O 78780825 343585017 /nfs/dbraw/zinc/58/50/17/343585017.db2.gz LQMWXYOEQSIETD-SSDOTTSWSA-N 0 3 183.255 0.579 20 0 ACADHN Cc1n[nH]cc1CNCC[C@H](C)O 78780830 343585058 /nfs/dbraw/zinc/58/50/58/343585058.db2.gz LQMWXYOEQSIETD-ZETCQYMHSA-N 0 3 183.255 0.579 20 0 ACADHN CCn1cc(CNCC[C@H](C)O)cn1 78781851 343585060 /nfs/dbraw/zinc/58/50/60/343585060.db2.gz HNMNKGKTRABKRB-VIFPVBQESA-N 0 3 197.282 0.764 20 0 ACADHN C[C@H](O)CCNCc1ccncc1 78780472 343585135 /nfs/dbraw/zinc/58/51/35/343585135.db2.gz ZULWTZDFEFWMGL-VIFPVBQESA-N 0 3 180.251 0.942 20 0 ACADHN C[C@H](O)CCNCc1cncn1C 78780404 343585158 /nfs/dbraw/zinc/58/51/58/343585158.db2.gz ZYNIOWJQUJVQRY-QMMMGPOBSA-N 0 3 183.255 0.281 20 0 ACADHN C[C@H](O)CCNCc1ccccn1 78782069 343585251 /nfs/dbraw/zinc/58/52/51/343585251.db2.gz NUVQDGRYGZYHTP-VIFPVBQESA-N 0 3 180.251 0.942 20 0 ACADHN C[C@H](O)CCNCc1cccnc1 78780983 343585294 /nfs/dbraw/zinc/58/52/94/343585294.db2.gz MKMLQOWMKRBADH-VIFPVBQESA-N 0 3 180.251 0.942 20 0 ACADHN Cc1cc2nc3c(cn2n1)CNCC3 79032037 343586173 /nfs/dbraw/zinc/58/61/73/343586173.db2.gz SEIOEFLCAUFQEG-UHFFFAOYSA-N 0 3 188.234 0.683 20 0 ACADHN CN(C)C(=O)[C@H]1CCCN1C 79045600 343586341 /nfs/dbraw/zinc/58/63/41/343586341.db2.gz RCIRTKHQGURBKQ-SSDOTTSWSA-N 0 3 156.229 0.169 20 0 ACADHN Nc1nc(N)nc(NC2CCCC2)n1 79600841 343589721 /nfs/dbraw/zinc/58/97/21/343589721.db2.gz HTOMBBQSOKQIBG-UHFFFAOYSA-N 0 3 194.242 0.391 20 0 ACADHN Cc1cccc(CN2CC[C@@H](O)C2)n1 80121428 343591168 /nfs/dbraw/zinc/59/11/68/343591168.db2.gz HFSBFBVKNLGSEB-LLVKDONJSA-N 0 3 192.262 0.957 20 0 ACADHN CC(C)[C@@H](C(N)=O)N(C)C 80122864 343591171 /nfs/dbraw/zinc/59/11/71/343591171.db2.gz PRDWPBCNIYFBIV-LURJTMIESA-N 0 3 144.218 0.058 20 0 ACADHN Cc1cccc(CN2CC[C@H](O)C2)n1 80121394 343591250 /nfs/dbraw/zinc/59/12/50/343591250.db2.gz HFSBFBVKNLGSEB-NSHDSACASA-N 0 3 192.262 0.957 20 0 ACADHN c1nncc2n[nH]cc12 80343798 343591397 /nfs/dbraw/zinc/59/13/97/343591397.db2.gz RDNNZYOQZGCDBE-UHFFFAOYSA-N 0 3 120.115 0.353 20 0 ACADHN CN1CCC[C@H](N(C)C(=O)C2CC2)C1 81561287 343593411 /nfs/dbraw/zinc/59/34/11/343593411.db2.gz SXOMOUFCCINCKQ-JTQLQIEISA-N 0 3 196.294 0.949 20 0 ACADHN C[C@@H](O)CNCc1ccc(CO)o1 81574547 343593978 /nfs/dbraw/zinc/59/39/78/343593978.db2.gz LBHVHVGXEPEBEB-SSDOTTSWSA-N 0 3 185.223 0.242 20 0 ACADHN CC[C@@H](CO)NCc1ccc(CO)o1 81574484 343594037 /nfs/dbraw/zinc/59/40/37/343594037.db2.gz FMRKEIZLYWBVDZ-QMMMGPOBSA-N 0 3 199.250 0.632 20 0 ACADHN C[C@H](O)CNCc1ccc(CO)o1 81574544 343594102 /nfs/dbraw/zinc/59/41/02/343594102.db2.gz LBHVHVGXEPEBEB-ZETCQYMHSA-N 0 3 185.223 0.242 20 0 ACADHN CNCCS(=O)(=O)C(C)C 82010282 343594583 /nfs/dbraw/zinc/59/45/83/343594583.db2.gz VDNAXTOFAPVVMA-UHFFFAOYSA-N 0 3 165.258 0.029 20 0 in-vitro ACADHN CC(C)ON1CCNCC1 82013941 343594642 /nfs/dbraw/zinc/59/46/42/343594642.db2.gz WUCWLLDYHHWVND-UHFFFAOYSA-N 0 3 144.218 0.232 20 0 ACADHN NCc1cnn(C2CCOCC2)c1 82192471 343596072 /nfs/dbraw/zinc/59/60/72/343596072.db2.gz HUGIWLSYZPJFFP-UHFFFAOYSA-N 0 3 181.239 0.693 20 0 ACADHN CC[C@H](N)C(=O)Nc1cc(C)n(C)n1 82247620 343596496 /nfs/dbraw/zinc/59/64/96/343596496.db2.gz QYSMFQIMLHYCER-ZETCQYMHSA-N 0 3 196.254 0.404 20 0 ACADHN Cc1cc(NC(=O)C(C)(C)N)nn1C 82247528 343596625 /nfs/dbraw/zinc/59/66/25/343596625.db2.gz BFKOHZVPEUNXOG-UHFFFAOYSA-N 0 3 196.254 0.404 20 0 ACADHN CN1CCC(NC(=O)CC2CC2)CC1 82268410 343596980 /nfs/dbraw/zinc/59/69/80/343596980.db2.gz PQWXBABUQUQJNW-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CN(C)CCNC(=O)c1cccn1C 82267514 343596983 /nfs/dbraw/zinc/59/69/83/343596983.db2.gz DQROWGZVYPEWJN-UHFFFAOYSA-N 0 3 195.266 0.317 20 0 ACADHN Cc1nc(CCNC(=O)CN)cs1 82275002 343597478 /nfs/dbraw/zinc/59/74/78/343597478.db2.gz QJVGIVONQNAWPF-UHFFFAOYSA-N 0 3 199.279 0.069 20 0 ACADHN Cc1nc(C)c(CNC(=O)CN)s1 82275004 343597640 /nfs/dbraw/zinc/59/76/40/343597640.db2.gz HBODAUDLANIRGT-UHFFFAOYSA-N 0 3 199.279 0.335 20 0 ACADHN C[C@@H](CO)CNCc1cnn(C)c1 82303958 343598368 /nfs/dbraw/zinc/59/83/68/343598368.db2.gz NMMDUHWSKIQQRJ-MRVPVSSYSA-N 0 3 183.255 0.138 20 0 ACADHN C[C@H](CO)CNCc1cnn(C)c1 82303957 343598618 /nfs/dbraw/zinc/59/86/18/343598618.db2.gz NMMDUHWSKIQQRJ-QMMMGPOBSA-N 0 3 183.255 0.138 20 0 ACADHN CCC(=O)NCCN(C)CCOC 82384137 343599366 /nfs/dbraw/zinc/59/93/66/343599366.db2.gz AJBLSVRPSUWTAB-UHFFFAOYSA-N 0 3 188.271 0.091 20 0 ACADHN CC[C@H](CO)NCc1cncn1C 82393821 343599889 /nfs/dbraw/zinc/59/98/89/343599889.db2.gz YZHDNHUIFTXDRD-MRVPVSSYSA-N 0 3 183.255 0.281 20 0 ACADHN COC[C@@H](C)NCc1cncn1C 82393733 343600023 /nfs/dbraw/zinc/60/00/23/343600023.db2.gz MJMVMVNDBKLVCJ-MRVPVSSYSA-N 0 3 183.255 0.545 20 0 ACADHN Cn1cncc1CNC[C@@H]1CCCO1 82393890 343600099 /nfs/dbraw/zinc/60/00/99/343600099.db2.gz AANZKXHWSVYCJE-JTQLQIEISA-N 0 3 195.266 0.689 20 0 ACADHN CCOCCCNCc1cncn1C 82393722 343600118 /nfs/dbraw/zinc/60/01/18/343600118.db2.gz ZTRDCFIDGKMONU-UHFFFAOYSA-N 0 3 197.282 0.936 20 0 ACADHN COCCCNCc1cncn1C 82393810 343600194 /nfs/dbraw/zinc/60/01/94/343600194.db2.gz PFPQUCIIBIGRAX-UHFFFAOYSA-N 0 3 183.255 0.546 20 0 ACADHN CC[C@@H](CO)NCc1cncn1C 82393818 343600286 /nfs/dbraw/zinc/60/02/86/343600286.db2.gz YZHDNHUIFTXDRD-QMMMGPOBSA-N 0 3 183.255 0.281 20 0 ACADHN COC[C@H](C)NCc1cncn1C 82393732 343600338 /nfs/dbraw/zinc/60/03/38/343600338.db2.gz MJMVMVNDBKLVCJ-QMMMGPOBSA-N 0 3 183.255 0.545 20 0 ACADHN CCOCCNCc1cncn1C 82394284 343600455 /nfs/dbraw/zinc/60/04/55/343600455.db2.gz AFZQUFMALHKKSL-UHFFFAOYSA-N 0 3 183.255 0.546 20 0 ACADHN C[C@H](CO)CNCc1ccnn1C 82395032 343600488 /nfs/dbraw/zinc/60/04/88/343600488.db2.gz JOMFJALCKRULOX-QMMMGPOBSA-N 0 3 183.255 0.138 20 0 ACADHN c1c[nH]c(CNCC2CCOCC2)n1 82394996 343600495 /nfs/dbraw/zinc/60/04/95/343600495.db2.gz XLBAAXVAMMOEFZ-UHFFFAOYSA-N 0 3 195.266 0.926 20 0 ACADHN COCC[C@H](C)NCc1ncc[nH]1 82395139 343600516 /nfs/dbraw/zinc/60/05/16/343600516.db2.gz FOGUVYNACIBNNB-QMMMGPOBSA-N 0 3 183.255 0.924 20 0 ACADHN COCC[C@@H](C)NCc1cncn1C 82394898 343600550 /nfs/dbraw/zinc/60/05/50/343600550.db2.gz DFHATVYCNMZKPC-SECBINFHSA-N 0 3 197.282 0.935 20 0 ACADHN CSCCNCc1cncn1C 82393906 343600589 /nfs/dbraw/zinc/60/05/89/343600589.db2.gz DZSPBULEXQLKAA-UHFFFAOYSA-N 0 3 185.296 0.873 20 0 ACADHN C[C@@H](CO)CNCc1ccnn1C 82395035 343600602 /nfs/dbraw/zinc/60/06/02/343600602.db2.gz JOMFJALCKRULOX-MRVPVSSYSA-N 0 3 183.255 0.138 20 0 ACADHN Cn1cncc1CNC[C@H]1CCCO1 82393892 343600622 /nfs/dbraw/zinc/60/06/22/343600622.db2.gz AANZKXHWSVYCJE-SNVBAGLBSA-N 0 3 195.266 0.689 20 0 ACADHN COCC[C@H](C)NCc1cncn1C 82394896 343600681 /nfs/dbraw/zinc/60/06/81/343600681.db2.gz DFHATVYCNMZKPC-VIFPVBQESA-N 0 3 197.282 0.935 20 0 ACADHN C[C@@H](CO)CNCc1cncn1C 82394489 343600791 /nfs/dbraw/zinc/60/07/91/343600791.db2.gz KCKWDIHRIBFBBN-MRVPVSSYSA-N 0 3 183.255 0.138 20 0 ACADHN COCC[C@@H](C)NCc1ncc[nH]1 82395141 343600813 /nfs/dbraw/zinc/60/08/13/343600813.db2.gz FOGUVYNACIBNNB-MRVPVSSYSA-N 0 3 183.255 0.924 20 0 ACADHN C[C@H](CO)CNCc1cncn1C 82394487 343600822 /nfs/dbraw/zinc/60/08/22/343600822.db2.gz KCKWDIHRIBFBBN-QMMMGPOBSA-N 0 3 183.255 0.138 20 0 ACADHN Cc1c[nH]nc1CNC1CC1 82407924 343602256 /nfs/dbraw/zinc/60/22/56/343602256.db2.gz IKQICVLGJJTXAS-UHFFFAOYSA-N 0 3 151.213 0.970 20 0 ACADHN CCc1cc(CN)nc(C)n1 82408067 343602698 /nfs/dbraw/zinc/60/26/98/343602698.db2.gz GREDVMDWUBIPEA-UHFFFAOYSA-N 0 3 151.213 0.806 20 0 ACADHN CCc1cc(CN)ncn1 82410775 343603028 /nfs/dbraw/zinc/60/30/28/343603028.db2.gz MVWCGWMSEKUYQF-UHFFFAOYSA-N 0 3 137.186 0.498 20 0 ACADHN Cc1ncc(CN)nc1C 82410781 343603256 /nfs/dbraw/zinc/60/32/56/343603256.db2.gz DLSLVTBPIGHSEI-UHFFFAOYSA-N 0 3 137.186 0.552 20 0 ACADHN Cc1ccc([O-])c(C[NH2+]C[C@@H](C)O)n1 82420268 343603750 /nfs/dbraw/zinc/60/37/50/343603750.db2.gz PVIUJDKMEXGTGU-MRVPVSSYSA-N 0 3 196.250 0.566 20 0 ACADHN Cc1ccc([O-])c(C[NH2+]C[C@H](C)O)n1 82420271 343603820 /nfs/dbraw/zinc/60/38/20/343603820.db2.gz PVIUJDKMEXGTGU-QMMMGPOBSA-N 0 3 196.250 0.566 20 0 ACADHN CN(C)[C@@H]1CCCN(C(N)=O)C1 82432561 343604195 /nfs/dbraw/zinc/60/41/95/343604195.db2.gz QQAXUEQZKOCJQY-SSDOTTSWSA-N 0 3 171.244 0.091 20 0 ACADHN CN(C)[C@H]1CCCN(C(N)=O)C1 82432562 343604203 /nfs/dbraw/zinc/60/42/03/343604203.db2.gz QQAXUEQZKOCJQY-ZETCQYMHSA-N 0 3 171.244 0.091 20 0 ACADHN C[C@H](CNCc1cncn1C)N(C)C 82432850 343604312 /nfs/dbraw/zinc/60/43/12/343604312.db2.gz MNYAKECTCCUNNL-SECBINFHSA-N 0 3 196.298 0.460 20 0 ACADHN C[C@@H](CNCc1cncn1C)N(C)C 82432849 343604362 /nfs/dbraw/zinc/60/43/62/343604362.db2.gz MNYAKECTCCUNNL-VIFPVBQESA-N 0 3 196.298 0.460 20 0 ACADHN CC1(C)C[C@@H]1NC1COC1 82488535 343605081 /nfs/dbraw/zinc/60/50/81/343605081.db2.gz XKUXWYPSCVUEAZ-ZETCQYMHSA-N 0 3 141.214 0.773 20 0 ACADHN CC1(C)C[C@H]1NC1COC1 82488537 343605135 /nfs/dbraw/zinc/60/51/35/343605135.db2.gz XKUXWYPSCVUEAZ-SSDOTTSWSA-N 0 3 141.214 0.773 20 0 ACADHN NC1CN(C(=O)CC2CCCC2)C1 82590364 343607176 /nfs/dbraw/zinc/60/71/76/343607176.db2.gz DMQNTAZWZZFGBW-UHFFFAOYSA-N 0 3 182.267 0.736 20 0 ACADHN NC1CN(C(=O)C2CCCC2)C1 82590363 343607239 /nfs/dbraw/zinc/60/72/39/343607239.db2.gz VJBLXUKAJZVVJV-UHFFFAOYSA-N 0 3 168.240 0.346 20 0 ACADHN Cc1ccc(C(=O)N2CC(N)C2)cc1 82590375 343607389 /nfs/dbraw/zinc/60/73/89/343607389.db2.gz SWPWZVMRPMRFHO-UHFFFAOYSA-N 0 3 190.246 0.778 20 0 ACADHN NC1CN(C(=O)c2ccc(F)cc2)C1 82590462 343607426 /nfs/dbraw/zinc/60/74/26/343607426.db2.gz LZPKGUJKKSKNSY-UHFFFAOYSA-N 0 3 194.209 0.609 20 0 ACADHN NC1CN(C(=O)c2ccccc2F)C1 82590416 343607478 /nfs/dbraw/zinc/60/74/78/343607478.db2.gz SZCHGFHSVWYGNA-UHFFFAOYSA-N 0 3 194.209 0.609 20 0 ACADHN Cc1cc(CNC(=O)CN)ccc1F 82588953 343607503 /nfs/dbraw/zinc/60/75/03/343607503.db2.gz UXGFLQCJQCQONU-UHFFFAOYSA-N 0 3 196.225 0.709 20 0 ACADHN COc1ccccc1CN1CC(N)C1 82595811 343607552 /nfs/dbraw/zinc/60/75/52/343607552.db2.gz FBOSXCHBAKRDRL-UHFFFAOYSA-N 0 3 192.262 0.838 20 0 ACADHN NC1CN(C(=O)c2ccco2)C1 82590463 343607561 /nfs/dbraw/zinc/60/75/61/343607561.db2.gz CNBAEMQXTNKPBN-UHFFFAOYSA-N 0 3 166.180 0.063 20 0 ACADHN NC1CN(CCOc2ccccc2)C1 82595552 343607584 /nfs/dbraw/zinc/60/75/84/343607584.db2.gz KTSSDYPQWNMLBW-UHFFFAOYSA-N 0 3 192.262 0.708 20 0 ACADHN CCCCC(=O)N1CC(N)C1 82590417 343607662 /nfs/dbraw/zinc/60/76/62/343607662.db2.gz HPFSUPSMJDGZRY-UHFFFAOYSA-N 0 3 156.229 0.346 20 0 ACADHN CC(C)(C)CC(=O)N1CC(N)C1 82590461 343607667 /nfs/dbraw/zinc/60/76/67/343607667.db2.gz BVXUHQXHZFQVRB-UHFFFAOYSA-N 0 3 170.256 0.592 20 0 ACADHN CN1CCC[C@H](CNC(=O)C2CC2)C1 82605262 343607985 /nfs/dbraw/zinc/60/79/85/343607985.db2.gz KQUNSIYPJUAAQY-SECBINFHSA-N 0 3 196.294 0.854 20 0 ACADHN CCC(=O)NC[C@H]1CCCN(C)C1 82605272 343608034 /nfs/dbraw/zinc/60/80/34/343608034.db2.gz GTNZYUYZUFDJLR-SECBINFHSA-N 0 3 184.283 0.854 20 0 ACADHN CCC(=O)NC[C@@H]1CCCN(C)C1 82605268 343608056 /nfs/dbraw/zinc/60/80/56/343608056.db2.gz GTNZYUYZUFDJLR-VIFPVBQESA-N 0 3 184.283 0.854 20 0 ACADHN CN1CCC[C@@H](CNC(=O)C2CC2)C1 82605263 343608086 /nfs/dbraw/zinc/60/80/86/343608086.db2.gz KQUNSIYPJUAAQY-VIFPVBQESA-N 0 3 196.294 0.854 20 0 ACADHN C[C@H]1CCc2n[nH]c(CN)c2C1 82632780 343608385 /nfs/dbraw/zinc/60/83/85/343608385.db2.gz DGFDIHILJHTTMT-LURJTMIESA-N 0 3 165.240 0.993 20 0 ACADHN CN1CCN(c2ccc(CN)o2)CC1 82637499 343609053 /nfs/dbraw/zinc/60/90/53/343609053.db2.gz TYRDIDCZBFRQNI-UHFFFAOYSA-N 0 3 195.266 0.490 20 0 ACADHN CC[C@](C)(O)CNCc1cncn1C 82687161 343610060 /nfs/dbraw/zinc/61/00/60/343610060.db2.gz JNPDTFOHMCPNSZ-JTQLQIEISA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@@](C)(O)CNCc1c[nH]nc1C 82687136 343610195 /nfs/dbraw/zinc/61/01/95/343610195.db2.gz YKWLXAPHXKGXMK-SNVBAGLBSA-N 0 3 197.282 0.969 20 0 ACADHN CC[C@](C)(O)CNCc1cnn(C)c1 82687147 343610316 /nfs/dbraw/zinc/61/03/16/343610316.db2.gz QCYIDAJOEYERDS-JTQLQIEISA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@](C)(O)CNCc1c[nH]nc1C 82687479 343610323 /nfs/dbraw/zinc/61/03/23/343610323.db2.gz YKWLXAPHXKGXMK-JTQLQIEISA-N 0 3 197.282 0.969 20 0 ACADHN CCn1cc(CNC[C@H](C)CO)cn1 82687898 343610711 /nfs/dbraw/zinc/61/07/11/343610711.db2.gz ZQYZTSWQVIAZNO-VIFPVBQESA-N 0 3 197.282 0.621 20 0 ACADHN CCn1cc(CNC[C@@H](C)CO)cn1 82687892 343610764 /nfs/dbraw/zinc/61/07/64/343610764.db2.gz ZQYZTSWQVIAZNO-SECBINFHSA-N 0 3 197.282 0.621 20 0 ACADHN CCn1cc(CNCC(C)(C)O)cn1 82687906 343610877 /nfs/dbraw/zinc/61/08/77/343610877.db2.gz VKAGTMCIAVWKAP-UHFFFAOYSA-N 0 3 197.282 0.764 20 0 ACADHN Cn1cncc1CNCC1(C)COC1 82694101 343610954 /nfs/dbraw/zinc/61/09/54/343610954.db2.gz YWRDDGUAPIWDTN-UHFFFAOYSA-N 0 3 195.266 0.546 20 0 ACADHN C[C@H](NCc1cnn(C)c1)C(C)(C)O 82717498 343611234 /nfs/dbraw/zinc/61/12/34/343611234.db2.gz RBJANYXUMULYAG-QMMMGPOBSA-N 0 3 197.282 0.669 20 0 ACADHN Cn1cncc1CNC[C@@H](O)C1CC1 82717540 343611285 /nfs/dbraw/zinc/61/12/85/343611285.db2.gz JIDIPRSLFMAIFL-SNVBAGLBSA-N 0 3 195.266 0.281 20 0 ACADHN Cn1cncc1CNC[C@H](O)C1CC1 82717539 343611471 /nfs/dbraw/zinc/61/14/71/343611471.db2.gz JIDIPRSLFMAIFL-JTQLQIEISA-N 0 3 195.266 0.281 20 0 ACADHN Cn1cncc1CNC(C)(C)CO 82717524 343611667 /nfs/dbraw/zinc/61/16/67/343611667.db2.gz IBRBQHWQHAYRHC-UHFFFAOYSA-N 0 3 183.255 0.281 20 0 ACADHN Cc1n[nH]cc1CN[C@@H](C)C(C)(C)O 82717417 343611678 /nfs/dbraw/zinc/61/16/78/343611678.db2.gz ODHAOJLWFQNBMS-QMMMGPOBSA-N 0 3 197.282 0.967 20 0 ACADHN OCCCNCc1ccc(CO)o1 82738086 343611843 /nfs/dbraw/zinc/61/18/43/343611843.db2.gz XZAZNVFHNIDXMO-UHFFFAOYSA-N 0 3 185.223 0.244 20 0 ACADHN CC[C@@H](COC)NCc1cncn1C 82784190 343612487 /nfs/dbraw/zinc/61/24/87/343612487.db2.gz IUZUVBDGOWCNMN-VIFPVBQESA-N 0 3 197.282 0.935 20 0 ACADHN CC[C@H](COC)NCc1cncn1C 82784191 343612556 /nfs/dbraw/zinc/61/25/56/343612556.db2.gz IUZUVBDGOWCNMN-SECBINFHSA-N 0 3 197.282 0.935 20 0 ACADHN Cc1nccc(C2(N)CC2)n1 82840240 343613202 /nfs/dbraw/zinc/61/32/02/343613202.db2.gz RUXCKVSKZCYXMW-UHFFFAOYSA-N 0 3 149.197 0.733 20 0 ACADHN Cc1cnc([C@@H](C)N)cn1 82837001 343613490 /nfs/dbraw/zinc/61/34/90/343613490.db2.gz IGKCRUAAZQAMEK-ZCFIWIBFSA-N 0 3 137.186 0.805 20 0 ACADHN Cc1ncc(CN)cc1F 82837928 343613600 /nfs/dbraw/zinc/61/36/00/343613600.db2.gz HVBXIFOILXFCLN-UHFFFAOYSA-N 0 3 140.161 0.988 20 0 ACADHN CC[C@@](C)(CO)NCc1cncn1C 82849634 343614152 /nfs/dbraw/zinc/61/41/52/343614152.db2.gz BLPYDUQBGOGFNP-JTQLQIEISA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@](C)(CO)NCc1cncn1C 82849635 343614175 /nfs/dbraw/zinc/61/41/75/343614175.db2.gz BLPYDUQBGOGFNP-SNVBAGLBSA-N 0 3 197.282 0.671 20 0 ACADHN C[C@H](NCC[C@@H](C)O)c1cnn(C)c1 82992702 343615541 /nfs/dbraw/zinc/61/55/41/343615541.db2.gz HIEQMKXHWIAEBT-BDAKNGLRSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@H](O)CCN[C@@H](C)c1cnn(C)c1 82992700 343615565 /nfs/dbraw/zinc/61/55/65/343615565.db2.gz HIEQMKXHWIAEBT-IUCAKERBSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@H](O)CCN[C@H](C)c1cnn(C)c1 82992703 343615824 /nfs/dbraw/zinc/61/58/24/343615824.db2.gz HIEQMKXHWIAEBT-DTWKUNHWSA-N 0 3 197.282 0.842 20 0 ACADHN C[C@H](CO)CNCc1ccc(CO)o1 83216449 343617276 /nfs/dbraw/zinc/61/72/76/343617276.db2.gz JRKMSFFFEJAYEQ-QMMMGPOBSA-N 0 3 199.250 0.490 20 0 ACADHN C[C@@H](CO)CNCc1ccc(CO)o1 83216451 343617398 /nfs/dbraw/zinc/61/73/98/343617398.db2.gz JRKMSFFFEJAYEQ-MRVPVSSYSA-N 0 3 199.250 0.490 20 0 ACADHN Cc1ncnc(CN)c1C 83267511 343617880 /nfs/dbraw/zinc/61/78/80/343617880.db2.gz PWWRFKFXCVRULR-UHFFFAOYSA-N 0 3 137.186 0.552 20 0 ACADHN C[C@H](N)C(=O)NCCC(C)(C)C 83340108 343618571 /nfs/dbraw/zinc/61/85/71/343618571.db2.gz AMOIZJHOSKMBDM-ZETCQYMHSA-N 0 3 172.272 0.886 20 0 ACADHN CCCNC(=O)C1(N)CC1 83339492 343618655 /nfs/dbraw/zinc/61/86/55/343618655.db2.gz HNXGQWCCLDTEKO-UHFFFAOYSA-N 0 3 142.202 0.004 20 0 ACADHN CCCN1CCCC[C@H]1C(N)=O 83428503 343619894 /nfs/dbraw/zinc/61/98/94/343619894.db2.gz BFVPCZHHNKGMDS-QMMMGPOBSA-N 0 3 170.256 0.736 20 0 ACADHN NC1CN(Cc2ccco2)C1 83634842 343621758 /nfs/dbraw/zinc/62/17/58/343621758.db2.gz YHJPGYFOBVGLGU-UHFFFAOYSA-N 0 3 152.197 0.423 20 0 ACADHN NC1CN(C(=O)c2ccsc2)C1 83635453 343621805 /nfs/dbraw/zinc/62/18/05/343621805.db2.gz DBDFVESKYYPPIH-UHFFFAOYSA-N 0 3 182.248 0.531 20 0 ACADHN Cc1nc(C(=O)N2CC(N)C2)cs1 83635111 343621810 /nfs/dbraw/zinc/62/18/10/343621810.db2.gz VYWLCAPYAXIUKJ-UHFFFAOYSA-N 0 3 197.263 0.235 20 0 ACADHN NC1CN(Cc2ccsc2)C1 83634657 343621824 /nfs/dbraw/zinc/62/18/24/343621824.db2.gz FPUZZULAYILGJW-UHFFFAOYSA-N 0 3 168.265 0.891 20 0 ACADHN NC1CN(C(=O)C2CC=CC2)C1 83635389 343621856 /nfs/dbraw/zinc/62/18/56/343621856.db2.gz WEUFVAVBSNJRGK-UHFFFAOYSA-N 0 3 166.224 0.122 20 0 ACADHN Cc1ncsc1C(=O)N1CC(N)C1 83635067 343621877 /nfs/dbraw/zinc/62/18/77/343621877.db2.gz DYVFSHMKLGXVGS-UHFFFAOYSA-N 0 3 197.263 0.235 20 0 ACADHN NC1CN(C(=O)Cc2cccs2)C1 83635072 343621888 /nfs/dbraw/zinc/62/18/88/343621888.db2.gz FVKUDZKWIGVGLF-UHFFFAOYSA-N 0 3 196.275 0.460 20 0 ACADHN NC1CN(Cc2cccs2)C1 83634536 343621988 /nfs/dbraw/zinc/62/19/88/343621988.db2.gz XPKGSNJJXAINAL-UHFFFAOYSA-N 0 3 168.265 0.891 20 0 ACADHN NC1CN(Cc2ccccc2F)C1 83634220 343622063 /nfs/dbraw/zinc/62/20/63/343622063.db2.gz ZUXWCISJQIBZMZ-UHFFFAOYSA-N 0 3 180.226 0.969 20 0 ACADHN NC1CN(C(=O)Cc2ccsc2)C1 83635031 343622109 /nfs/dbraw/zinc/62/21/09/343622109.db2.gz AFVQQLPGWHVYID-UHFFFAOYSA-N 0 3 196.275 0.460 20 0 ACADHN Cc1ccc(C(=O)N2CC(N)C2)s1 83634993 343622112 /nfs/dbraw/zinc/62/21/12/343622112.db2.gz QGTGAZXVFWVQOG-UHFFFAOYSA-N 0 3 196.275 0.840 20 0 ACADHN Cc1noc(C)c1CN1CC(N)C1 83634877 343622117 /nfs/dbraw/zinc/62/21/17/343622117.db2.gz SMWVFRHCVCZRQG-UHFFFAOYSA-N 0 3 181.239 0.434 20 0 ACADHN Cc1noc(C)c1C(=O)N1CC(N)C1 83635011 343622126 /nfs/dbraw/zinc/62/21/26/343622126.db2.gz GYQJOBRRCZFIIV-UHFFFAOYSA-N 0 3 195.222 0.075 20 0 ACADHN CC(C)c1noc(CN2CC(N)C2)n1 83635826 343622137 /nfs/dbraw/zinc/62/21/37/343622137.db2.gz KWCNKKMZUHPOCM-UHFFFAOYSA-N 0 3 196.254 0.336 20 0 ACADHN NC1CN(C(=O)/C=C/c2ccco2)C1 83635328 343622176 /nfs/dbraw/zinc/62/21/76/343622176.db2.gz RIVRVKJPVDAPGQ-ONEGZZNKSA-N 0 3 192.218 0.462 20 0 ACADHN CCNc1cc(N)nc(C)n1 83823763 343624689 /nfs/dbraw/zinc/62/46/89/343624689.db2.gz VVOCEXKPZNVWQW-UHFFFAOYSA-N 0 3 152.201 0.799 20 0 ACADHN C[C@H](NC(CO)CO)c1ccncc1 83689749 343623069 /nfs/dbraw/zinc/62/30/69/343623069.db2.gz FHZXPIXRYSYYIO-QMMMGPOBSA-N 0 3 196.250 0.085 20 0 ACADHN Cc1nsc(N2CCNC[C@H]2C)n1 83649055 343623108 /nfs/dbraw/zinc/62/31/08/343623108.db2.gz YSKADVBSDHSHIR-ZCFIWIBFSA-N 0 3 198.295 0.645 20 0 ACADHN Cc1nsc(N2CCNC[C@@H]2C)n1 83649054 343623300 /nfs/dbraw/zinc/62/33/00/343623300.db2.gz YSKADVBSDHSHIR-LURJTMIESA-N 0 3 198.295 0.645 20 0 ACADHN Cc1ccc(CNC(CO)CO)cc1 83691898 343623645 /nfs/dbraw/zinc/62/36/45/343623645.db2.gz SOJKFHMBGGBSSD-UHFFFAOYSA-N 0 3 195.262 0.438 20 0 ACADHN C[C@H](NC(CO)CO)c1cccnc1 83690592 343623733 /nfs/dbraw/zinc/62/37/33/343623733.db2.gz OSZIFZLOGHHJAS-QMMMGPOBSA-N 0 3 196.250 0.085 20 0 ACADHN C[C@H](NC(CO)CO)c1ccccc1 83691927 343623813 /nfs/dbraw/zinc/62/38/13/343623813.db2.gz PXLITJJQAAZITG-VIFPVBQESA-N 0 3 195.262 0.690 20 0 ACADHN CN(CCO)CCOCC1CC1 83825790 343625227 /nfs/dbraw/zinc/62/52/27/343625227.db2.gz MZBXBSWRCSDZTP-UHFFFAOYSA-N 0 3 173.256 0.337 20 0 ACADHN OCCN1CCN(CC2CCC2)CC1 83841908 343625737 /nfs/dbraw/zinc/62/57/37/343625737.db2.gz BTODJBHORZOSKI-UHFFFAOYSA-N 0 3 198.310 0.396 20 0 ACADHN Cn1cc(CNCCC2CC2)nn1 83893840 343627441 /nfs/dbraw/zinc/62/74/41/343627441.db2.gz LACVLJRCABCWOY-UHFFFAOYSA-N 0 3 180.255 0.705 20 0 ACADHN CNCC(=O)N1CCS[C@H](C)C1 83934558 343628209 /nfs/dbraw/zinc/62/82/09/343628209.db2.gz QMIGGCQAOOVRHK-SSDOTTSWSA-N 0 3 188.296 0.170 20 0 ACADHN CC(C)(C)[C@@H]1CCCN1C(=O)CN 83937141 343628241 /nfs/dbraw/zinc/62/82/41/343628241.db2.gz FTXPMKPMTUOGHG-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN CC(C)C[C@@H]1CCCN1C(=O)CN 83937082 343628246 /nfs/dbraw/zinc/62/82/46/343628246.db2.gz VQDAGSMTKLHENU-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN CC1(C)CCN(C(=O)C(C)(C)N)C1 83928652 343628255 /nfs/dbraw/zinc/62/82/55/343628255.db2.gz DRXJBTXUTOYFQN-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN CS[C@@H](C)CNC(=O)C(C)(C)N 83944650 343628279 /nfs/dbraw/zinc/62/82/79/343628279.db2.gz NZQRUOSHIUILPE-LURJTMIESA-N 0 3 190.312 0.591 20 0 ACADHN CS[C@H](C)CNC(=O)C(C)(C)N 83944654 343628282 /nfs/dbraw/zinc/62/82/82/343628282.db2.gz NZQRUOSHIUILPE-ZCFIWIBFSA-N 0 3 190.312 0.591 20 0 ACADHN C[C@@H](N)C(=O)N1CCC(C)(C)C1 83928650 343628311 /nfs/dbraw/zinc/62/83/11/343628311.db2.gz VRVPIAYTBNGYBK-SSDOTTSWSA-N 0 3 170.256 0.592 20 0 ACADHN CC1(C)CCN(C(=O)CN)C1 83928642 343628361 /nfs/dbraw/zinc/62/83/61/343628361.db2.gz SETOCPPYLYLSOL-UHFFFAOYSA-N 0 3 156.229 0.204 20 0 ACADHN CC(C)C[C@H]1CCCN1C(=O)CN 83937086 343628426 /nfs/dbraw/zinc/62/84/26/343628426.db2.gz VQDAGSMTKLHENU-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN CC(C)(C)[C@H]1CCCN1C(=O)CN 83937144 343628493 /nfs/dbraw/zinc/62/84/93/343628493.db2.gz FTXPMKPMTUOGHG-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN OCCN1CCN(CCC2CC2)CC1 83939839 343628617 /nfs/dbraw/zinc/62/86/17/343628617.db2.gz BFTRWOHIEAJSNP-UHFFFAOYSA-N 0 3 198.310 0.396 20 0 ACADHN CC(C)(C)Cn1cc(CN)nn1 83963243 343628828 /nfs/dbraw/zinc/62/88/28/343628828.db2.gz OKSVWBNSPDTIGL-UHFFFAOYSA-N 0 3 168.244 0.783 20 0 ACADHN C[C@@H](N)C(=O)NCCC(C)(C)C 83957725 343628912 /nfs/dbraw/zinc/62/89/12/343628912.db2.gz AMOIZJHOSKMBDM-SSDOTTSWSA-N 0 3 172.272 0.886 20 0 ACADHN CSC1CCN(C(=O)CN)CC1 83945391 343629004 /nfs/dbraw/zinc/62/90/04/343629004.db2.gz INWNWRGARHVRJQ-UHFFFAOYSA-N 0 3 188.296 0.299 20 0 ACADHN COCc1ccc(CNCCO)cc1 83969398 343629452 /nfs/dbraw/zinc/62/94/52/343629452.db2.gz KPBFCKHRGLQRSK-UHFFFAOYSA-N 0 3 195.262 0.915 20 0 ACADHN CNCC(=O)Nc1ccsc1 85535073 343644488 /nfs/dbraw/zinc/64/44/88/343644488.db2.gz WMKRFPDUKNEFDF-UHFFFAOYSA-N 0 3 170.237 0.906 20 0 ACADHN CC(C)(N)C(=O)N[C@H]1CC=CCC1 84067127 343630376 /nfs/dbraw/zinc/63/03/76/343630376.db2.gz FTBLGVHGORBHBA-QMMMGPOBSA-N 0 3 182.267 0.949 20 0 ACADHN C[C@@H](C(N)=O)[C@H](N)c1ccccc1 84193624 343631613 /nfs/dbraw/zinc/63/16/13/343631613.db2.gz SDUWCESJQGBSND-APPZFPTMSA-N 0 3 178.235 0.808 20 0 ACADHN Cc1ncsc1CN[C@@H](C)CO 84149228 343631636 /nfs/dbraw/zinc/63/16/36/343631636.db2.gz RAFOFPVYJAKTSZ-LURJTMIESA-N 0 3 186.280 0.922 20 0 ACADHN C[C@H](C(N)=O)[C@H](N)c1ccccc1 84193622 343631648 /nfs/dbraw/zinc/63/16/48/343631648.db2.gz SDUWCESJQGBSND-CBAPKCEASA-N 0 3 178.235 0.808 20 0 ACADHN C[C@@H](C(N)=O)[C@@H](N)c1ccccc1 84193627 343631653 /nfs/dbraw/zinc/63/16/53/343631653.db2.gz SDUWCESJQGBSND-VXNVDRBHSA-N 0 3 178.235 0.808 20 0 ACADHN Cc1ncsc1CNC[C@@H](C)O 84149226 343631678 /nfs/dbraw/zinc/63/16/78/343631678.db2.gz LWXQJZYNQDJCHC-ZCFIWIBFSA-N 0 3 186.280 0.922 20 0 ACADHN CC[C@H](N)C(=O)Nc1ccncc1 84199847 343631688 /nfs/dbraw/zinc/63/16/88/343631688.db2.gz QPRHAYXEQIJXPA-QMMMGPOBSA-N 0 3 179.223 0.757 20 0 ACADHN C[C@H](C(N)=O)[C@@H](N)c1ccccc1 84193625 343631702 /nfs/dbraw/zinc/63/17/02/343631702.db2.gz SDUWCESJQGBSND-IONNQARKSA-N 0 3 178.235 0.808 20 0 ACADHN Cc1ncsc1CN[C@H](C)CO 84149229 343631719 /nfs/dbraw/zinc/63/17/19/343631719.db2.gz RAFOFPVYJAKTSZ-ZCFIWIBFSA-N 0 3 186.280 0.922 20 0 ACADHN Cc1ncsc1CNCCO 84149215 343631730 /nfs/dbraw/zinc/63/17/30/343631730.db2.gz YACPJFKZVHWZPZ-UHFFFAOYSA-N 0 3 172.253 0.533 20 0 ACADHN Cc1ncsc1CNC[C@H](C)O 84149227 343631804 /nfs/dbraw/zinc/63/18/04/343631804.db2.gz LWXQJZYNQDJCHC-LURJTMIESA-N 0 3 186.280 0.922 20 0 ACADHN Cn1cc(C(=N)N)c(C(F)(F)F)n1 84297567 343633593 /nfs/dbraw/zinc/63/35/93/343633593.db2.gz VJZPSNRRIXRDGV-UHFFFAOYSA-N 0 3 192.144 0.723 20 0 ACADHN Cc1n[nH]cc1CNC[C@H](C)CCO 85128769 343639268 /nfs/dbraw/zinc/63/92/68/343639268.db2.gz JEUPXMAODJVVCE-MRVPVSSYSA-N 0 3 197.282 0.826 20 0 ACADHN C[C@@H](CCO)CNCc1cnn(C)c1 85128728 343639278 /nfs/dbraw/zinc/63/92/78/343639278.db2.gz NSABWAVAJTUDKA-VIFPVBQESA-N 0 3 197.282 0.528 20 0 ACADHN C[C@@H](CCO)CNCc1ncc[nH]1 85126017 343639401 /nfs/dbraw/zinc/63/94/01/343639401.db2.gz DLPFQOXPBIQTMN-QMMMGPOBSA-N 0 3 183.255 0.518 20 0 ACADHN C[C@H](CCO)CNCc1cnn(C)c1 85128730 343639405 /nfs/dbraw/zinc/63/94/05/343639405.db2.gz NSABWAVAJTUDKA-SECBINFHSA-N 0 3 197.282 0.528 20 0 ACADHN Cc1n[nH]cc1CNC[C@@H](C)CCO 85128766 343639444 /nfs/dbraw/zinc/63/94/44/343639444.db2.gz JEUPXMAODJVVCE-QMMMGPOBSA-N 0 3 197.282 0.826 20 0 ACADHN C[C@@H](CCO)CNCc1cc[nH]n1 85126107 343639461 /nfs/dbraw/zinc/63/94/61/343639461.db2.gz VOPCTOZBQSKVGA-QMMMGPOBSA-N 0 3 183.255 0.518 20 0 ACADHN C[C@H](CCO)CNCc1cc[nH]n1 85126109 343639533 /nfs/dbraw/zinc/63/95/33/343639533.db2.gz VOPCTOZBQSKVGA-MRVPVSSYSA-N 0 3 183.255 0.518 20 0 ACADHN C[C@H](CCO)CNCc1ncc[nH]1 85126021 343639641 /nfs/dbraw/zinc/63/96/41/343639641.db2.gz DLPFQOXPBIQTMN-MRVPVSSYSA-N 0 3 183.255 0.518 20 0 ACADHN C[C@@H](CO)CSCCN(C)C 85138610 343639815 /nfs/dbraw/zinc/63/98/15/343639815.db2.gz SGIOHFIOSVSDJJ-QMMMGPOBSA-N 0 3 177.313 0.910 20 0 ACADHN C[C@H](CO)CSCCN(C)C 85138611 343640068 /nfs/dbraw/zinc/64/00/68/343640068.db2.gz SGIOHFIOSVSDJJ-MRVPVSSYSA-N 0 3 177.313 0.910 20 0 ACADHN Cc1ccc2c(n1)OCCNC2 85210305 343641190 /nfs/dbraw/zinc/64/11/90/343641190.db2.gz FEJHRVGXSOOASZ-UHFFFAOYSA-N 0 3 164.208 0.872 20 0 ACADHN C[C@H](CCO)CNCc1cncn1C 85169764 343641203 /nfs/dbraw/zinc/64/12/03/343641203.db2.gz CFNNQMXEEMGMHM-SECBINFHSA-N 0 3 197.282 0.528 20 0 ACADHN Cn1cncc1CN1CCC[C@H]1CO 85191925 343641313 /nfs/dbraw/zinc/64/13/13/343641313.db2.gz DWHLZPZLBISTNR-VIFPVBQESA-N 0 3 195.266 0.377 20 0 ACADHN Cn1cncc1CN1CCC[C@@H]1CO 85191923 343641433 /nfs/dbraw/zinc/64/14/33/343641433.db2.gz DWHLZPZLBISTNR-SECBINFHSA-N 0 3 195.266 0.377 20 0 ACADHN C[C@@H](CCO)CNCc1cncn1C 85169761 343641436 /nfs/dbraw/zinc/64/14/36/343641436.db2.gz CFNNQMXEEMGMHM-VIFPVBQESA-N 0 3 197.282 0.528 20 0 ACADHN Cc1nsc([N-]C2C[NH2+]C2)n1 85256648 343641890 /nfs/dbraw/zinc/64/18/90/343641890.db2.gz XSPWNYUYPTUDMZ-UHFFFAOYSA-N 0 3 170.241 0.230 20 0 ACADHN CC(C)[C@H]1CCCCN1C(=O)CN 85343208 343642559 /nfs/dbraw/zinc/64/25/59/343642559.db2.gz KBUHKTTVJSXGQR-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN CC(C)[C@@H]1CCCCN1C(=O)CN 85343205 343642837 /nfs/dbraw/zinc/64/28/37/343642837.db2.gz KBUHKTTVJSXGQR-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN O=C(C[C@@H]1CNCCO1)NC1CCC1 85620002 343645386 /nfs/dbraw/zinc/64/53/86/343645386.db2.gz HKFMWVDNEFKSSA-SECBINFHSA-N 0 3 198.266 0.034 20 0 ACADHN CN(C)C(=O)C[C@@H]1CSCCN1 85612726 343645468 /nfs/dbraw/zinc/64/54/68/343645468.db2.gz UKVWCTBAWJIDGC-SSDOTTSWSA-N 0 3 188.296 0.170 20 0 ACADHN O=C(C[C@H]1CNCCO1)NC1CCC1 85620007 343645656 /nfs/dbraw/zinc/64/56/56/343645656.db2.gz HKFMWVDNEFKSSA-VIFPVBQESA-N 0 3 198.266 0.034 20 0 ACADHN CN(C)C(=O)C[C@H]1CSCCN1 85612731 343645703 /nfs/dbraw/zinc/64/57/03/343645703.db2.gz UKVWCTBAWJIDGC-ZETCQYMHSA-N 0 3 188.296 0.170 20 0 ACADHN C[C@@H](C(N)=O)N1CCC(C)(C)C1 85697202 343646014 /nfs/dbraw/zinc/64/60/14/343646014.db2.gz HIWLLMJYBPXNAR-ZETCQYMHSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@H](C(N)=O)N1CCC(C)(C)C1 85697251 343646046 /nfs/dbraw/zinc/64/60/46/343646046.db2.gz IZBLQBHSTNHOCP-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H](C(N)=O)N1CCC(C)(C)C1 85697206 343646054 /nfs/dbraw/zinc/64/60/54/343646054.db2.gz HIWLLMJYBPXNAR-SSDOTTSWSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@@H](C(N)=O)N1CCC(C)(C)C1 85697247 343646299 /nfs/dbraw/zinc/64/62/99/343646299.db2.gz IZBLQBHSTNHOCP-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@@H]1CN(CC(N)=O)C[C@H]1C 85697631 343646560 /nfs/dbraw/zinc/64/65/60/343646560.db2.gz OYKVDZKBFQGBFR-RNFRBKRXSA-N 0 3 156.229 0.060 20 0 ACADHN C[C@H]1CN(CC(N)=O)C[C@@H]1C 85697626 343646665 /nfs/dbraw/zinc/64/66/65/343646665.db2.gz OYKVDZKBFQGBFR-BQBZGAKWSA-N 0 3 156.229 0.060 20 0 ACADHN C[C@@H]1CN(CC(N)=O)C[C@@H]1C 85697624 343646720 /nfs/dbraw/zinc/64/67/20/343646720.db2.gz OYKVDZKBFQGBFR-KNVOCYPGSA-N 0 3 156.229 0.060 20 0 ACADHN Cc1ncccc1NC(=O)C1(N)CC1 85727895 343647113 /nfs/dbraw/zinc/64/71/13/343647113.db2.gz KKYCEANIVQXMMG-UHFFFAOYSA-N 0 3 191.234 0.820 20 0 ACADHN Cc1ncccc1N1CCNCC1 85728238 343647177 /nfs/dbraw/zinc/64/71/77/343647177.db2.gz SVXLBHKEDZEXCZ-UHFFFAOYSA-N 0 3 177.251 0.800 20 0 ACADHN CNCC(=O)Nc1cccnc1C 85727940 343647189 /nfs/dbraw/zinc/64/71/89/343647189.db2.gz AJXAZRHMWMIUSS-UHFFFAOYSA-N 0 3 179.223 0.548 20 0 ACADHN CCN(CC)C(=O)N1CCCNCC1 85957953 343648285 /nfs/dbraw/zinc/64/82/85/343648285.db2.gz AQNULOADGUCZIN-UHFFFAOYSA-N 0 3 199.298 0.744 20 0 ACADHN CNCC(=O)N1C[C@@H](C)[C@@H](C)C1 86013948 343648569 /nfs/dbraw/zinc/64/85/69/343648569.db2.gz KCLHSZXKSKNGEJ-OCAPTIKFSA-N 0 3 170.256 0.320 20 0 ACADHN CNCC(=O)N1C[C@H](C)[C@@H](C)C1 86013952 343648552 /nfs/dbraw/zinc/64/85/52/343648552.db2.gz KCLHSZXKSKNGEJ-YUMQZZPRSA-N 0 3 170.256 0.320 20 0 ACADHN C[C@@H]1CN(C(=O)C2(N)CC2)C[C@@H]1C 86013574 343648577 /nfs/dbraw/zinc/64/85/77/343648577.db2.gz LAOUAUZRFQMRDN-OCAPTIKFSA-N 0 3 182.267 0.592 20 0 ACADHN C[C@H]1CN(C(=O)C(C)(C)N)C[C@@H]1C 86013570 343648608 /nfs/dbraw/zinc/64/86/08/343648608.db2.gz KNSOMIHEQOLIJK-YUMQZZPRSA-N 0 3 184.283 0.838 20 0 ACADHN CCN(C)C(=O)N1C[C@H](C)NC[C@H]1C 85970020 343648679 /nfs/dbraw/zinc/64/86/79/343648679.db2.gz CZINLKMGMWYEPF-DTWKUNHWSA-N 0 3 199.298 0.740 20 0 ACADHN C[C@@H]1CN(C(=O)CN)C[C@@H]1C 86013734 343648708 /nfs/dbraw/zinc/64/87/08/343648708.db2.gz VIZLLUMPGAZWNE-KNVOCYPGSA-N 0 3 156.229 0.060 20 0 ACADHN CNCC(=O)N1C[C@@H](C)[C@H](C)C1 86013954 343648723 /nfs/dbraw/zinc/64/87/23/343648723.db2.gz KCLHSZXKSKNGEJ-HTQZYQBOSA-N 0 3 170.256 0.320 20 0 ACADHN C[C@@H]1CN(C(=O)C2(N)CC2)C[C@H]1C 86013578 343648762 /nfs/dbraw/zinc/64/87/62/343648762.db2.gz LAOUAUZRFQMRDN-HTQZYQBOSA-N 0 3 182.267 0.592 20 0 ACADHN C[C@@H]1CN(C(=O)C(C)(C)N)C[C@@H]1C 86013568 343648820 /nfs/dbraw/zinc/64/88/20/343648820.db2.gz KNSOMIHEQOLIJK-OCAPTIKFSA-N 0 3 184.283 0.838 20 0 ACADHN CCN(C)C(=O)N1C[C@H](C)NC[C@@H]1C 85970014 343648859 /nfs/dbraw/zinc/64/88/59/343648859.db2.gz CZINLKMGMWYEPF-IUCAKERBSA-N 0 3 199.298 0.740 20 0 ACADHN CCN(C)C(=O)N1C[C@@H](C)NC[C@H]1C 85970024 343648874 /nfs/dbraw/zinc/64/88/74/343648874.db2.gz CZINLKMGMWYEPF-RKDXNWHRSA-N 0 3 199.298 0.740 20 0 ACADHN C[C@@H]1CN(C(=O)CN)C[C@H]1C 86013739 343648880 /nfs/dbraw/zinc/64/88/80/343648880.db2.gz VIZLLUMPGAZWNE-RNFRBKRXSA-N 0 3 156.229 0.060 20 0 ACADHN C[C@@H]1CN(C(=O)C(C)(C)N)C[C@H]1C 86013572 343648890 /nfs/dbraw/zinc/64/88/90/343648890.db2.gz KNSOMIHEQOLIJK-HTQZYQBOSA-N 0 3 184.283 0.838 20 0 ACADHN CCN(C)C(=O)N1C[C@@H](C)NC[C@@H]1C 85970018 343648894 /nfs/dbraw/zinc/64/88/94/343648894.db2.gz CZINLKMGMWYEPF-BDAKNGLRSA-N 0 3 199.298 0.740 20 0 ACADHN C[C@H]1CN(C(=O)CN)C[C@@H]1C 86013737 343648911 /nfs/dbraw/zinc/64/89/11/343648911.db2.gz VIZLLUMPGAZWNE-BQBZGAKWSA-N 0 3 156.229 0.060 20 0 ACADHN C[C@H]1CN(C(=O)C2(N)CC2)C[C@@H]1C 86013576 343648918 /nfs/dbraw/zinc/64/89/18/343648918.db2.gz LAOUAUZRFQMRDN-YUMQZZPRSA-N 0 3 182.267 0.592 20 0 ACADHN Cc1cc(NC(=O)C2(N)CC2)ccn1 86114008 343649219 /nfs/dbraw/zinc/64/92/19/343649219.db2.gz UIZSJXDFWILNOX-UHFFFAOYSA-N 0 3 191.234 0.820 20 0 ACADHN Cc1cc(NC(=O)[C@@H](C)N)ccn1 86113991 343649308 /nfs/dbraw/zinc/64/93/08/343649308.db2.gz SZXZIXXIJFUDLP-SSDOTTSWSA-N 0 3 179.223 0.676 20 0 ACADHN CCc1n[nH]c(CC)c1CN 86109005 343649476 /nfs/dbraw/zinc/64/94/76/343649476.db2.gz DHBHWWDGSDKNNR-UHFFFAOYSA-N 0 3 153.229 0.993 20 0 ACADHN CN(C[C@H]1CCCN1C)C(=O)C1CC1 86190319 343649744 /nfs/dbraw/zinc/64/97/44/343649744.db2.gz WLFMQBQHOJJROO-SNVBAGLBSA-N 0 3 196.294 0.949 20 0 ACADHN CN(C[C@@H]1CCCN1C)C(=O)C1CC1 86190320 343649778 /nfs/dbraw/zinc/64/97/78/343649778.db2.gz WLFMQBQHOJJROO-JTQLQIEISA-N 0 3 196.294 0.949 20 0 ACADHN CC(=O)N(C)C[C@H]1CCCN1C 86190305 343649875 /nfs/dbraw/zinc/64/98/75/343649875.db2.gz XRUCKDVNOBHMHY-SECBINFHSA-N 0 3 170.256 0.559 20 0 ACADHN CC(=O)N(C)C[C@@H]1CCCN1C 86190303 343650010 /nfs/dbraw/zinc/65/00/10/343650010.db2.gz XRUCKDVNOBHMHY-VIFPVBQESA-N 0 3 170.256 0.559 20 0 ACADHN CN1CCN(CCC(C)(C)O)CC1 86233891 343650295 /nfs/dbraw/zinc/65/02/95/343650295.db2.gz QWLIXSIJWORRTF-UHFFFAOYSA-N 0 3 186.299 0.395 20 0 ACADHN C[C@H](N)C(=O)NC1C(C)(C)C1(C)C 86240671 343650424 /nfs/dbraw/zinc/65/04/24/343650424.db2.gz YKGDEWOZNXEREL-LURJTMIESA-N 0 3 184.283 0.884 20 0 ACADHN C[C@@H](N)C(=O)NC1C(C)(C)C1(C)C 86240699 343650463 /nfs/dbraw/zinc/65/04/63/343650463.db2.gz YKGDEWOZNXEREL-ZCFIWIBFSA-N 0 3 184.283 0.884 20 0 ACADHN CNCC(=O)NC1C(C)(C)C1(C)C 86240694 343650483 /nfs/dbraw/zinc/65/04/83/343650483.db2.gz GIIWOWGVXGJDTG-UHFFFAOYSA-N 0 3 184.283 0.757 20 0 ACADHN CC1(C)C(NC(=O)CN)C1(C)C 86240637 343650606 /nfs/dbraw/zinc/65/06/06/343650606.db2.gz IHMFCJXIBIWRRG-UHFFFAOYSA-N 0 3 170.256 0.496 20 0 ACADHN Cc1c(CNC(C)(C)CO)cnn1C 86551894 343652275 /nfs/dbraw/zinc/65/22/75/343652275.db2.gz OTQWVOAOOXLRBR-UHFFFAOYSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1c(CNC[C@@H](C)O)cnn1C 86551925 343652356 /nfs/dbraw/zinc/65/23/56/343652356.db2.gz KWTWEMMSPJCEKT-SSDOTTSWSA-N 0 3 183.255 0.199 20 0 ACADHN Cc1c(CNC[C@H](C)O)cnn1C 86551926 343652410 /nfs/dbraw/zinc/65/24/10/343652410.db2.gz KWTWEMMSPJCEKT-ZETCQYMHSA-N 0 3 183.255 0.199 20 0 ACADHN Cc1c(CN[C@@H](C)CO)cnn1C 86551927 343652420 /nfs/dbraw/zinc/65/24/20/343652420.db2.gz IZWQTRFXQPUJFC-ZETCQYMHSA-N 0 3 183.255 0.199 20 0 ACADHN Cc1c(CNCC(C)(C)O)cnn1C 86552153 343652449 /nfs/dbraw/zinc/65/24/49/343652449.db2.gz FZIPOSVDUHKSRZ-UHFFFAOYSA-N 0 3 197.282 0.589 20 0 ACADHN CCN1CCC(O)(COC)CC1 86518661 343652499 /nfs/dbraw/zinc/65/24/99/343652499.db2.gz TZSQZXADUGPPKN-UHFFFAOYSA-N 0 3 173.256 0.480 20 0 ACADHN Cc1c(CNCCCO)cnn1C 86551890 343652562 /nfs/dbraw/zinc/65/25/62/343652562.db2.gz ARTPXGZRDBLLSD-UHFFFAOYSA-N 0 3 183.255 0.201 20 0 ACADHN Cc1c(CNCC[C@@H](C)O)cnn1C 86552142 343652565 /nfs/dbraw/zinc/65/25/65/343652565.db2.gz PBEUMCICTLSRAB-MRVPVSSYSA-N 0 3 197.282 0.589 20 0 ACADHN CC[C@H](CO)NCc1cnn(C)c1C 86551893 343652601 /nfs/dbraw/zinc/65/26/01/343652601.db2.gz MPJHTEKILAPSAM-SNVBAGLBSA-N 0 3 197.282 0.589 20 0 ACADHN CC[C@@H](CO)NCc1cnn(C)c1C 86551892 343652616 /nfs/dbraw/zinc/65/26/16/343652616.db2.gz MPJHTEKILAPSAM-JTQLQIEISA-N 0 3 197.282 0.589 20 0 ACADHN Cc1ccc(NC(=O)[C@H](C)N)c(C)n1 87152315 343657727 /nfs/dbraw/zinc/65/77/27/343657727.db2.gz JEAYFAVIQVIGKO-ZETCQYMHSA-N 0 3 193.250 0.984 20 0 ACADHN Cc1ccc(O)c(NC(=O)[C@H](C)N)c1 87049750 343657956 /nfs/dbraw/zinc/65/79/56/343657956.db2.gz NAYHFILJHIYORG-ZETCQYMHSA-N 0 3 194.234 0.986 20 0 ACADHN CNCC(=O)Nc1cc(C)ccc1O 87049701 343657973 /nfs/dbraw/zinc/65/79/73/343657973.db2.gz PXQVANMDQYWWCV-UHFFFAOYSA-N 0 3 194.234 0.859 20 0 ACADHN Cc1ccc(O)c(NC(=O)[C@@H](C)N)c1 87049747 343657997 /nfs/dbraw/zinc/65/79/97/343657997.db2.gz NAYHFILJHIYORG-SSDOTTSWSA-N 0 3 194.234 0.986 20 0 ACADHN Cc1ccc(NC(=O)[C@@H](C)N)c(C)n1 87152335 343658221 /nfs/dbraw/zinc/65/82/21/343658221.db2.gz JEAYFAVIQVIGKO-SSDOTTSWSA-N 0 3 193.250 0.984 20 0 ACADHN CNCC(=O)Nc1ccc(C)nc1C 87152345 343658572 /nfs/dbraw/zinc/65/85/72/343658572.db2.gz BHSRULRDOSJIOX-UHFFFAOYSA-N 0 3 193.250 0.856 20 0 ACADHN C[C@]1(CNC(=O)C2(N)CC2)CCCO1 87254055 343658743 /nfs/dbraw/zinc/65/87/43/343658743.db2.gz IFKTVVKTISGVTB-SECBINFHSA-N 0 3 198.266 0.163 20 0 ACADHN CC1(C)CCN(C(=O)C2(N)CC2)C1 87253589 343658782 /nfs/dbraw/zinc/65/87/82/343658782.db2.gz FIIALESBZHYVKA-UHFFFAOYSA-N 0 3 182.267 0.736 20 0 ACADHN C[C@H](N)C(=O)NC[C@@]1(C)CCCO1 87253935 343658970 /nfs/dbraw/zinc/65/89/70/343658970.db2.gz HTPCAKZDCZYXLT-IONNQARKSA-N 0 3 186.255 0.019 20 0 ACADHN C[C@@]1(CNC(=O)C2(N)CC2)CCCO1 87254056 343659022 /nfs/dbraw/zinc/65/90/22/343659022.db2.gz IFKTVVKTISGVTB-VIFPVBQESA-N 0 3 198.266 0.163 20 0 ACADHN C[C@@H](N)C(=O)NC[C@@]1(C)CCCO1 87253957 343659058 /nfs/dbraw/zinc/65/90/58/343659058.db2.gz HTPCAKZDCZYXLT-VXNVDRBHSA-N 0 3 186.255 0.019 20 0 ACADHN C[C@@H](N)C(=O)NC[C@]1(C)CCCO1 87253955 343659096 /nfs/dbraw/zinc/65/90/96/343659096.db2.gz HTPCAKZDCZYXLT-APPZFPTMSA-N 0 3 186.255 0.019 20 0 ACADHN C[C@H](SCCN(C)C)C(N)=O 87265361 343659289 /nfs/dbraw/zinc/65/92/89/343659289.db2.gz NQCWWPICCJZDJX-LURJTMIESA-N 0 3 176.285 0.155 20 0 ACADHN C[C@@H](SCCN(C)C)C(N)=O 87265364 343659484 /nfs/dbraw/zinc/65/94/84/343659484.db2.gz NQCWWPICCJZDJX-ZCFIWIBFSA-N 0 3 176.285 0.155 20 0 ACADHN COC(=O)[C@H](C)SCCN(C)C 87265333 343659492 /nfs/dbraw/zinc/65/94/92/343659492.db2.gz LORFRBFWAIMWAP-ZETCQYMHSA-N 0 3 191.296 0.843 20 0 ACADHN COC(=O)[C@@H](C)SCCN(C)C 87265335 343659588 /nfs/dbraw/zinc/65/95/88/343659588.db2.gz LORFRBFWAIMWAP-SSDOTTSWSA-N 0 3 191.296 0.843 20 0 ACADHN COC(=O)[C@@H]1CCN([C@@H]2CCOC2)C1 87416946 343660586 /nfs/dbraw/zinc/66/05/86/343660586.db2.gz SDWOXMGLEXQRRK-RKDXNWHRSA-N 0 3 199.250 0.270 20 0 ACADHN COC(=O)[C@H]1CCN([C@@H]2CCOC2)C1 87416947 343660608 /nfs/dbraw/zinc/66/06/08/343660608.db2.gz SDWOXMGLEXQRRK-DTWKUNHWSA-N 0 3 199.250 0.270 20 0 ACADHN CN(C)CCSCCOCCO 87417027 343660725 /nfs/dbraw/zinc/66/07/25/343660725.db2.gz WMMQTISURWCBDI-UHFFFAOYSA-N 0 3 193.312 0.290 20 0 ACADHN Cn1cccc1CN[C@@H]1CCOC1 87416198 343660825 /nfs/dbraw/zinc/66/08/25/343660825.db2.gz FQNOBCJESRMGOM-SECBINFHSA-N 0 3 180.251 0.904 20 0 ACADHN Cn1cccc1CN[C@H]1CCOC1 87416199 343660856 /nfs/dbraw/zinc/66/08/56/343660856.db2.gz FQNOBCJESRMGOM-VIFPVBQESA-N 0 3 180.251 0.904 20 0 ACADHN CC(C)[C@@H](O)CN1CCN(C)CC1 87537665 343661870 /nfs/dbraw/zinc/66/18/70/343661870.db2.gz YWKYHFGENSBUOE-JTQLQIEISA-N 0 3 186.299 0.251 20 0 ACADHN CC(C)[C@H](O)CN1CCN(C)CC1 87537663 343661991 /nfs/dbraw/zinc/66/19/91/343661991.db2.gz YWKYHFGENSBUOE-SNVBAGLBSA-N 0 3 186.299 0.251 20 0 ACADHN C[C@H](N)C(=O)NC[C@@H]1CCCS1 87668347 343662620 /nfs/dbraw/zinc/66/26/20/343662620.db2.gz XVAZAEPGXJVBEU-BQBZGAKWSA-N 0 3 188.296 0.345 20 0 ACADHN C[C@@H](N)C(=O)NC[C@@H]1CCCS1 87668476 343662782 /nfs/dbraw/zinc/66/27/82/343662782.db2.gz XVAZAEPGXJVBEU-RQJHMYQMSA-N 0 3 188.296 0.345 20 0 ACADHN C[C@H](N)C(=O)NC[C@H]1CCCS1 87668348 343662898 /nfs/dbraw/zinc/66/28/98/343662898.db2.gz XVAZAEPGXJVBEU-NKWVEPMBSA-N 0 3 188.296 0.345 20 0 ACADHN CN1CCC(N)(C(F)F)CC1 87688040 343663375 /nfs/dbraw/zinc/66/33/75/343663375.db2.gz MDVXLKXCESWZOW-UHFFFAOYSA-N 0 3 164.199 0.675 20 0 ACADHN C[C@@H](N)C(=O)NC[C@H]1CCCS1 87668477 343663431 /nfs/dbraw/zinc/66/34/31/343663431.db2.gz XVAZAEPGXJVBEU-RNFRBKRXSA-N 0 3 188.296 0.345 20 0 ACADHN Cc1c(CN[C@H]2CCOC2)cnn1C 87785010 343664551 /nfs/dbraw/zinc/66/45/51/343664551.db2.gz NONLIMJRGLCXQG-JTQLQIEISA-N 0 3 195.266 0.607 20 0 ACADHN C[C@H](N[C@@H]1CCOC1)c1cnn(C)c1 87783734 343664404 /nfs/dbraw/zinc/66/44/04/343664404.db2.gz FAODRAGHYZPJSW-WCBMZHEXSA-N 0 3 195.266 0.860 20 0 ACADHN C[C@@H](N[C@H]1CCOC1)c1cnn(C)c1 87783739 343664425 /nfs/dbraw/zinc/66/44/25/343664425.db2.gz FAODRAGHYZPJSW-SCZZXKLOSA-N 0 3 195.266 0.860 20 0 ACADHN Cc1cc(CN[C@@H]2CCOC2)n(C)n1 87787196 343664488 /nfs/dbraw/zinc/66/44/88/343664488.db2.gz BFTPZNTZZPGNKG-SECBINFHSA-N 0 3 195.266 0.607 20 0 ACADHN COCCN1CCC(C)(O)CC1 87781287 343664526 /nfs/dbraw/zinc/66/45/26/343664526.db2.gz MPRBWKFMRCJCIT-UHFFFAOYSA-N 0 3 173.256 0.480 20 0 ACADHN Cc1c(CN[C@@H]2CCOC2)cnn1C 87785008 343664569 /nfs/dbraw/zinc/66/45/69/343664569.db2.gz NONLIMJRGLCXQG-SNVBAGLBSA-N 0 3 195.266 0.607 20 0 ACADHN C[C@@H](N[C@@H]1CCOC1)c1cnn(C)c1 87783735 343664598 /nfs/dbraw/zinc/66/45/98/343664598.db2.gz FAODRAGHYZPJSW-PSASIEDQSA-N 0 3 195.266 0.860 20 0 ACADHN C[C@H](N[C@H]1CCOC1)c1cnn(C)c1 87783737 343664633 /nfs/dbraw/zinc/66/46/33/343664633.db2.gz FAODRAGHYZPJSW-WPRPVWTQSA-N 0 3 195.266 0.860 20 0 ACADHN COCCN(C)c1cc(N)nc(C)n1 87821587 343664918 /nfs/dbraw/zinc/66/49/18/343664918.db2.gz QCFBOWSXTJROCZ-UHFFFAOYSA-N 0 3 196.254 0.450 20 0 ACADHN CNc1cc(NC)nc(C)n1 87807314 343664948 /nfs/dbraw/zinc/66/49/48/343664948.db2.gz KIYXYVGDSZBDIX-UHFFFAOYSA-N 0 3 152.201 0.868 20 0 ACADHN CNc1cc(N(C)C)nc(C)n1 87806425 343664970 /nfs/dbraw/zinc/66/49/70/343664970.db2.gz UGBQGEFBMMEWMQ-UHFFFAOYSA-N 0 3 166.228 0.893 20 0 ACADHN CNc1cc(NCCOC)nc(C)n1 87806833 343665007 /nfs/dbraw/zinc/66/50/07/343665007.db2.gz SDZDKBATFNLIOE-UHFFFAOYSA-N 0 3 196.254 0.885 20 0 ACADHN C[C@@]1(CNC(=O)CN)CCCS1 87796561 343665010 /nfs/dbraw/zinc/66/50/10/343665010.db2.gz YWVRSSJNONTPDW-QMMMGPOBSA-N 0 3 188.296 0.347 20 0 ACADHN Cc1nc(N)cc(NC2CC2)n1 87807037 343665017 /nfs/dbraw/zinc/66/50/17/343665017.db2.gz OFFZQDUJVCMWKK-UHFFFAOYSA-N 0 3 164.212 0.942 20 0 ACADHN CNc1cc(N(C)CCO)nc(C)n1 87808592 343665065 /nfs/dbraw/zinc/66/50/65/343665065.db2.gz JWBQWTPAJOGGHI-UHFFFAOYSA-N 0 3 196.254 0.255 20 0 ACADHN COCCNc1cc(N)nc(C)n1 87806817 343665112 /nfs/dbraw/zinc/66/51/12/343665112.db2.gz QWWVYCNUUIODRB-UHFFFAOYSA-N 0 3 182.227 0.426 20 0 ACADHN COCCCNc1cc(N)nc(C)n1 87808446 343665140 /nfs/dbraw/zinc/66/51/40/343665140.db2.gz PEVLSUVWVVIKBU-UHFFFAOYSA-N 0 3 196.254 0.816 20 0 ACADHN CNc1cc(NCCN(C)C)ncn1 87807381 343665184 /nfs/dbraw/zinc/66/51/84/343665184.db2.gz UQOKBUADWVREOY-UHFFFAOYSA-N 0 3 195.270 0.492 20 0 ACADHN C[C@]1(CNC(=O)CN)CCCS1 87796559 343665218 /nfs/dbraw/zinc/66/52/18/343665218.db2.gz YWVRSSJNONTPDW-MRVPVSSYSA-N 0 3 188.296 0.347 20 0 ACADHN CN(C)CCNc1cc(N)ncn1 87807366 343665227 /nfs/dbraw/zinc/66/52/27/343665227.db2.gz GCMYVOFQTBOSER-UHFFFAOYSA-N 0 3 181.243 0.032 20 0 ACADHN CCN(CCO)c1cc(N)nc(C)n1 87819965 343665246 /nfs/dbraw/zinc/66/52/46/343665246.db2.gz VTYIKSOOOXPSJF-UHFFFAOYSA-N 0 3 196.254 0.186 20 0 ACADHN COC[C@@H](C)Nc1cc(N)nc(C)n1 87807780 343665256 /nfs/dbraw/zinc/66/52/56/343665256.db2.gz YDDWOBSIRUTECR-ZCFIWIBFSA-N 0 3 196.254 0.814 20 0 ACADHN COC[C@H](C)Nc1cc(N)nc(C)n1 87807779 343665313 /nfs/dbraw/zinc/66/53/13/343665313.db2.gz YDDWOBSIRUTECR-LURJTMIESA-N 0 3 196.254 0.814 20 0 ACADHN CNCc1cnn(-c2cnccn2)c1 87969476 343665494 /nfs/dbraw/zinc/66/54/94/343665494.db2.gz CTHVAOVMRVSKAZ-UHFFFAOYSA-N 0 3 189.222 0.382 20 0 ACADHN CNc1cc(N)nc(C2CC2)n1 87908958 343665535 /nfs/dbraw/zinc/66/55/35/343665535.db2.gz LENSDENYWOJLGQ-UHFFFAOYSA-N 0 3 164.212 0.978 20 0 ACADHN CC(C)NC[C@@H]1CCCS1(=O)=O 87970825 343665566 /nfs/dbraw/zinc/66/55/66/343665566.db2.gz JLQYCJGBQLKFTI-QMMMGPOBSA-N 0 3 191.296 0.562 20 0 ACADHN CC(C)NC[C@H]1CCCS1(=O)=O 87970826 343665623 /nfs/dbraw/zinc/66/56/23/343665623.db2.gz JLQYCJGBQLKFTI-MRVPVSSYSA-N 0 3 191.296 0.562 20 0 ACADHN C[C@@H]1CN(C(=O)C2(N)CCC2)CCO1 88049995 343666455 /nfs/dbraw/zinc/66/64/55/343666455.db2.gz OLFCKECCKHYSSK-MRVPVSSYSA-N 0 3 198.266 0.115 20 0 ACADHN NC1(C(=O)Nc2cccnc2)CCC1 88049999 343666507 /nfs/dbraw/zinc/66/65/07/343666507.db2.gz HFWKCCNJJYQEKG-UHFFFAOYSA-N 0 3 191.234 0.902 20 0 ACADHN NC1(C(=O)NC2CC2)CCC1 88049967 343666582 /nfs/dbraw/zinc/66/65/82/343666582.db2.gz UGWVXXNDIMGKOK-UHFFFAOYSA-N 0 3 154.213 0.146 20 0 ACADHN CC[C@@H](C)NC(=O)C1(N)CCC1 88049963 343666586 /nfs/dbraw/zinc/66/65/86/343666586.db2.gz QKGDGHCHVQPNDN-SSDOTTSWSA-N 0 3 170.256 0.783 20 0 ACADHN NC1(C(=O)Nc2ccccn2)CCC1 88049982 343666591 /nfs/dbraw/zinc/66/65/91/343666591.db2.gz CKIBVKFNWYPTKJ-UHFFFAOYSA-N 0 3 191.234 0.902 20 0 ACADHN C[C@H]1CN(C(=O)C2(N)CCC2)CCO1 88049996 343666625 /nfs/dbraw/zinc/66/66/25/343666625.db2.gz OLFCKECCKHYSSK-QMMMGPOBSA-N 0 3 198.266 0.115 20 0 ACADHN NC1(C(=O)Nc2ccncc2)CCC1 88050129 343666640 /nfs/dbraw/zinc/66/66/40/343666640.db2.gz DUEQUVJSPUYQOK-UHFFFAOYSA-N 0 3 191.234 0.902 20 0 ACADHN CCN(CC)C(=O)C1(N)CCC1 88049947 343666688 /nfs/dbraw/zinc/66/66/88/343666688.db2.gz MCHRPCQVDVPIKQ-UHFFFAOYSA-N 0 3 170.256 0.736 20 0 ACADHN NC1(C(=O)NC2CCCC2)CCC1 88049971 343666691 /nfs/dbraw/zinc/66/66/91/343666691.db2.gz ANWIZMJZVPCROP-UHFFFAOYSA-N 0 3 182.267 0.927 20 0 ACADHN CCNC(=O)C1(N)CCC1 88049979 343666696 /nfs/dbraw/zinc/66/66/96/343666696.db2.gz VMRLUTSIMOFVRU-UHFFFAOYSA-N 0 3 142.202 0.004 20 0 ACADHN NC1(C(=O)NCC2CC2)CCC1 88050002 343666786 /nfs/dbraw/zinc/66/67/86/343666786.db2.gz UCVKUOROUXCVGQ-UHFFFAOYSA-N 0 3 168.240 0.394 20 0 ACADHN NC1(C(=O)N2CCCC2)CCC1 88049933 343666806 /nfs/dbraw/zinc/66/68/06/343666806.db2.gz NEIIYKSKYVJZEQ-UHFFFAOYSA-N 0 3 168.240 0.490 20 0 ACADHN CC(C)CNC(=O)C1(N)CCC1 88049969 343666816 /nfs/dbraw/zinc/66/68/16/343666816.db2.gz YCWKIDPKCGZFIE-UHFFFAOYSA-N 0 3 170.256 0.640 20 0 ACADHN NC1(C(=O)NCc2ccco2)CCC1 88049957 343666819 /nfs/dbraw/zinc/66/68/19/343666819.db2.gz DDNZRALAGTUNRU-UHFFFAOYSA-N 0 3 194.234 0.777 20 0 ACADHN CC(C)N(C)C(=O)C1(N)CCC1 88050061 343666829 /nfs/dbraw/zinc/66/68/29/343666829.db2.gz QXLYTCYEPUYCSQ-UHFFFAOYSA-N 0 3 170.256 0.735 20 0 ACADHN CC[C@H](C)NC(=O)C1(N)CCC1 88049964 343666838 /nfs/dbraw/zinc/66/68/38/343666838.db2.gz QKGDGHCHVQPNDN-ZETCQYMHSA-N 0 3 170.256 0.783 20 0 ACADHN CCCNC(=O)C1(N)CCC1 88049939 343666842 /nfs/dbraw/zinc/66/68/42/343666842.db2.gz SLOCOPWJNOWVRN-UHFFFAOYSA-N 0 3 156.229 0.394 20 0 ACADHN NC1(C(=O)N2CCCCC2)CCC1 88050125 343666873 /nfs/dbraw/zinc/66/68/73/343666873.db2.gz OBEOHTYYOMYMRN-UHFFFAOYSA-N 0 3 182.267 0.880 20 0 ACADHN CC(C)NC(=O)C1(N)CCC1 88049955 343666900 /nfs/dbraw/zinc/66/69/00/343666900.db2.gz GOBFSKDKQDCGPJ-UHFFFAOYSA-N 0 3 156.229 0.392 20 0 ACADHN CC(=O)N[C@H]1CCN(C)[C@@H](C)C1 88055777 343667073 /nfs/dbraw/zinc/66/70/73/343667073.db2.gz IUTOPKSBVCHCLX-CBAPKCEASA-N 0 3 170.256 0.605 20 0 ACADHN NC1(C(=O)NC2CCC2)CCC1 88051008 343667079 /nfs/dbraw/zinc/66/70/79/343667079.db2.gz JNTZRFWUBBFFJU-UHFFFAOYSA-N 0 3 168.240 0.537 20 0 ACADHN CN(C(=O)C1(N)CCC1)C1CC1 88050227 343667088 /nfs/dbraw/zinc/66/70/88/343667088.db2.gz GRLPWGGCDIYSQS-UHFFFAOYSA-N 0 3 168.240 0.489 20 0 ACADHN CCN(C)C(=O)C1(N)CCC1 88050223 343667100 /nfs/dbraw/zinc/66/71/00/343667100.db2.gz SGZMLQZXASOOKJ-UHFFFAOYSA-N 0 3 156.229 0.346 20 0 ACADHN C[C@H]1CCN(C(=O)C2(N)CCC2)C1 88050751 343667104 /nfs/dbraw/zinc/66/71/04/343667104.db2.gz RPQKLWPEYPHEAN-QMMMGPOBSA-N 0 3 182.267 0.736 20 0 ACADHN NC1(C(=O)Nc2cn[nH]c2)CCC1 88050345 343667111 /nfs/dbraw/zinc/66/71/11/343667111.db2.gz DPTVTXZINIKXNW-UHFFFAOYSA-N 0 3 180.211 0.230 20 0 ACADHN CC(=O)N[C@H]1CCN(C)[C@H](C)C1 88055776 343667118 /nfs/dbraw/zinc/66/71/18/343667118.db2.gz IUTOPKSBVCHCLX-APPZFPTMSA-N 0 3 170.256 0.605 20 0 ACADHN C[C@@H]1CN(C(=O)C2(N)CCC2)C[C@H]1C 88051498 343667161 /nfs/dbraw/zinc/66/71/61/343667161.db2.gz FEOOGWWVHLHWON-RKDXNWHRSA-N 0 3 196.294 0.982 20 0 ACADHN NC1(C(=O)N[C@H]2CCCOC2)CCC1 88051142 343667180 /nfs/dbraw/zinc/66/71/80/343667180.db2.gz SBLLWSXLOQFJGV-QMMMGPOBSA-N 0 3 198.266 0.163 20 0 ACADHN C[C@@H]1C[C@H](NC(=O)C2CC2)CCN1C 88055902 343667195 /nfs/dbraw/zinc/66/71/95/343667195.db2.gz QTFJWRPOLPYOQZ-PSASIEDQSA-N 0 3 196.294 0.995 20 0 ACADHN Cn1nccc1NC(=O)C1(N)CCC1 88050913 343667206 /nfs/dbraw/zinc/66/72/06/343667206.db2.gz DPCQYDKFKWVWJI-UHFFFAOYSA-N 0 3 194.238 0.240 20 0 ACADHN CC(=O)N[C@@H]1CCN(C)[C@H](C)C1 88055774 343667291 /nfs/dbraw/zinc/66/72/91/343667291.db2.gz IUTOPKSBVCHCLX-VXNVDRBHSA-N 0 3 170.256 0.605 20 0 ACADHN NC1(C(=O)NC[C@@H]2CCCO2)CCC1 88050135 343667305 /nfs/dbraw/zinc/66/73/05/343667305.db2.gz LWVSNVKDXJPJKN-QMMMGPOBSA-N 0 3 198.266 0.163 20 0 ACADHN C[C@@H]1CCCN1C(=O)C1(N)CCC1 88050621 343667315 /nfs/dbraw/zinc/66/73/15/343667315.db2.gz NYWWVPDOYJCAHO-MRVPVSSYSA-N 0 3 182.267 0.879 20 0 ACADHN CC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 88055775 343667354 /nfs/dbraw/zinc/66/73/54/343667354.db2.gz IUTOPKSBVCHCLX-IONNQARKSA-N 0 3 170.256 0.605 20 0 ACADHN Cn1cc(NC(=O)C2(N)CCC2)cn1 88050339 343667381 /nfs/dbraw/zinc/66/73/81/343667381.db2.gz SKTFAHKFUWMXJK-UHFFFAOYSA-N 0 3 194.238 0.240 20 0 ACADHN C[C@H]1C[C@@H](NC(=O)C2CC2)CCN1C 88055905 343667391 /nfs/dbraw/zinc/66/73/91/343667391.db2.gz QTFJWRPOLPYOQZ-WPRPVWTQSA-N 0 3 196.294 0.995 20 0 ACADHN CCC(=O)N[C@H]1CCN(C)[C@H](C)C1 88055861 343667443 /nfs/dbraw/zinc/66/74/43/343667443.db2.gz VJVZMUQWYDSVCS-BDAKNGLRSA-N 0 3 184.283 0.995 20 0 ACADHN C[C@H]1CN(C(=O)C2(N)CCC2)C[C@@H]1C 88051497 343667511 /nfs/dbraw/zinc/66/75/11/343667511.db2.gz FEOOGWWVHLHWON-IUCAKERBSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@@H]1CN(C(=O)C2(N)CCC2)C[C@@H]1C 88051496 343667522 /nfs/dbraw/zinc/66/75/22/343667522.db2.gz FEOOGWWVHLHWON-DTORHVGOSA-N 0 3 196.294 0.982 20 0 ACADHN CC(C)CN(C)C(=O)C1(N)CCC1 88050243 343667535 /nfs/dbraw/zinc/66/75/35/343667535.db2.gz BNNHGAVZDARAFB-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN CCC(=O)N[C@@H]1CCN(C)[C@H](C)C1 88055860 343667540 /nfs/dbraw/zinc/66/75/40/343667540.db2.gz VJVZMUQWYDSVCS-RKDXNWHRSA-N 0 3 184.283 0.995 20 0 ACADHN C[C@H]1C[C@H](NC(=O)C2CC2)CCN1C 88055903 343667577 /nfs/dbraw/zinc/66/75/77/343667577.db2.gz QTFJWRPOLPYOQZ-WCBMZHEXSA-N 0 3 196.294 0.995 20 0 ACADHN CCCN(C)C(=O)C1(N)CCC1 88050241 343667588 /nfs/dbraw/zinc/66/75/88/343667588.db2.gz GRBWNQZNUABABH-UHFFFAOYSA-N 0 3 170.256 0.736 20 0 ACADHN CSCCNC(=O)C1(N)CCC1 88051211 343667618 /nfs/dbraw/zinc/66/76/18/343667618.db2.gz FDQZUWOYKHWYBK-UHFFFAOYSA-N 0 3 188.296 0.347 20 0 ACADHN NC1(C(=O)NC[C@H]2CCCO2)CCC1 88050134 343667622 /nfs/dbraw/zinc/66/76/22/343667622.db2.gz LWVSNVKDXJPJKN-MRVPVSSYSA-N 0 3 198.266 0.163 20 0 ACADHN C[C@H]1CCCN1C(=O)C1(N)CCC1 88050622 343667625 /nfs/dbraw/zinc/66/76/25/343667625.db2.gz NYWWVPDOYJCAHO-QMMMGPOBSA-N 0 3 182.267 0.879 20 0 ACADHN Cc1nccc(N)c1C=O 88189783 343668976 /nfs/dbraw/zinc/66/89/76/343668976.db2.gz ZIQAUDJTMCZQFA-UHFFFAOYSA-N 0 3 136.154 0.785 20 0 ACADHN C[C@@H](CO)CNCc1ccccn1 88195047 343669157 /nfs/dbraw/zinc/66/91/57/343669157.db2.gz OLMYUCBCKLAWRM-SECBINFHSA-N 0 3 180.251 0.800 20 0 ACADHN C[C@@H](CO)CNCc1ccco1 88195136 343669197 /nfs/dbraw/zinc/66/91/97/343669197.db2.gz CEQSBPANYSHZHM-MRVPVSSYSA-N 0 3 169.224 0.998 20 0 ACADHN C[C@@H](CO)CNCc1ccncc1 88195191 343669239 /nfs/dbraw/zinc/66/92/39/343669239.db2.gz DGAOKYNJEBSIBG-SECBINFHSA-N 0 3 180.251 0.800 20 0 ACADHN Cc1n[nH]cc1CNC[C@H](C)CO 88195377 343669263 /nfs/dbraw/zinc/66/92/63/343669263.db2.gz VVAPSIFIMXPHSZ-ZETCQYMHSA-N 0 3 183.255 0.436 20 0 ACADHN C[C@H](CO)CNCc1ccccn1 88195045 343669413 /nfs/dbraw/zinc/66/94/13/343669413.db2.gz OLMYUCBCKLAWRM-VIFPVBQESA-N 0 3 180.251 0.800 20 0 ACADHN C[C@@H](CO)CNCc1cccnc1 88195091 343669406 /nfs/dbraw/zinc/66/94/06/343669406.db2.gz MIXCDFXAARQYMA-SECBINFHSA-N 0 3 180.251 0.800 20 0 ACADHN Cc1n[nH]c(C)c1CNC[C@H](C)CO 88195375 343669422 /nfs/dbraw/zinc/66/94/22/343669422.db2.gz VCXOPWLDXGVPMI-ZETCQYMHSA-N 0 3 197.282 0.745 20 0 ACADHN Cc1n[nH]cc1CNC[C@@H](C)CO 88195376 343669492 /nfs/dbraw/zinc/66/94/92/343669492.db2.gz VVAPSIFIMXPHSZ-SSDOTTSWSA-N 0 3 183.255 0.436 20 0 ACADHN Cc1n[nH]c(C)c1CNC[C@@H](C)CO 88195374 343669503 /nfs/dbraw/zinc/66/95/03/343669503.db2.gz VCXOPWLDXGVPMI-SSDOTTSWSA-N 0 3 197.282 0.745 20 0 ACADHN C[C@H](CO)CNCc1cccnc1 88195090 343669529 /nfs/dbraw/zinc/66/95/29/343669529.db2.gz MIXCDFXAARQYMA-VIFPVBQESA-N 0 3 180.251 0.800 20 0 ACADHN C[C@H](CO)CNCc1ccco1 88195135 343669541 /nfs/dbraw/zinc/66/95/41/343669541.db2.gz CEQSBPANYSHZHM-QMMMGPOBSA-N 0 3 169.224 0.998 20 0 ACADHN C[C@H](CO)CNCc1ccncc1 88195190 343669563 /nfs/dbraw/zinc/66/95/63/343669563.db2.gz DGAOKYNJEBSIBG-VIFPVBQESA-N 0 3 180.251 0.800 20 0 ACADHN Cc1ccc(CN)c(S(C)(=O)=O)c1 88604435 343671894 /nfs/dbraw/zinc/67/18/94/343671894.db2.gz LAKIXSGJZYHTBR-UHFFFAOYSA-N 0 3 199.275 0.857 20 0 ACADHN CN(CCC(N)=O)CCC(F)(F)F 88430502 343671911 /nfs/dbraw/zinc/67/19/11/343671911.db2.gz YAKFUISLUZSIHT-UHFFFAOYSA-N 0 3 198.188 0.746 20 0 ACADHN Cc1nc(C)c2c(n1)CCNC2 90397818 343675119 /nfs/dbraw/zinc/67/51/19/343675119.db2.gz SDBYTVRYGCVULG-UHFFFAOYSA-N 0 3 163.224 0.739 20 0 ACADHN C[C@H]1C[C@@H](NC(N)=O)CCN1C 90994182 343676922 /nfs/dbraw/zinc/67/69/22/343676922.db2.gz QAJFKEKGMUOPGT-BQBZGAKWSA-N 0 3 171.244 0.137 20 0 ACADHN C[C@@H]1C[C@@H](NC(N)=O)CCN1C 90994181 343676996 /nfs/dbraw/zinc/67/69/96/343676996.db2.gz QAJFKEKGMUOPGT-RQJHMYQMSA-N 0 3 171.244 0.137 20 0 ACADHN C[C@H]1C[C@H](NC(N)=O)CCN1C 90994180 343677026 /nfs/dbraw/zinc/67/70/26/343677026.db2.gz QAJFKEKGMUOPGT-NKWVEPMBSA-N 0 3 171.244 0.137 20 0 ACADHN C[C@@H]1C[C@H](NC(N)=O)CCN1C 90994179 343677046 /nfs/dbraw/zinc/67/70/46/343677046.db2.gz QAJFKEKGMUOPGT-RNFRBKRXSA-N 0 3 171.244 0.137 20 0 ACADHN CCc1nc(CN)ccc1C(=O)OC 95347922 343682926 /nfs/dbraw/zinc/68/29/26/343682926.db2.gz UQLFFUGKGSXEIJ-UHFFFAOYSA-N 0 3 194.234 0.889 20 0 ACADHN Cc1nn(O)c(C)c1CN 95596428 343684477 /nfs/dbraw/zinc/68/44/77/343684477.db2.gz PGKPXGATNASRPZ-UHFFFAOYSA-N 0 3 141.174 0.196 20 0 ACADHN Cc1cnc(C)c(CN)n1 95764162 343687401 /nfs/dbraw/zinc/68/74/01/343687401.db2.gz BKYCPWGIRVQORD-UHFFFAOYSA-N 0 3 137.186 0.552 20 0 ACADHN CN1CCC[C@@H](c2nnc(CN)o2)C1 95828875 343687458 /nfs/dbraw/zinc/68/74/58/343687458.db2.gz KIJOEINXLGTIOC-SSDOTTSWSA-N 0 3 196.254 0.338 20 0 ACADHN CC[C@H](CO)NCc1ccnn1CC 96033636 343693728 /nfs/dbraw/zinc/69/37/28/343693728.db2.gz INEFEOCMKCRWRU-SECBINFHSA-N 0 3 197.282 0.764 20 0 ACADHN CCn1nccc1CNCCCO 96033631 343693751 /nfs/dbraw/zinc/69/37/51/343693751.db2.gz MTFDOYUWZMVCRC-UHFFFAOYSA-N 0 3 183.255 0.375 20 0 ACADHN CCn1nccc1CNCC[C@H](C)O 96033660 343693802 /nfs/dbraw/zinc/69/38/02/343693802.db2.gz MLPBNPBEDJAFBV-VIFPVBQESA-N 0 3 197.282 0.764 20 0 ACADHN CCn1nccc1CNC(C)(C)CO 96033656 343693848 /nfs/dbraw/zinc/69/38/48/343693848.db2.gz BMIZWSTZMQJWGB-UHFFFAOYSA-N 0 3 197.282 0.764 20 0 ACADHN CCn1nccc1CNCC(C)(C)O 96033654 343693869 /nfs/dbraw/zinc/69/38/69/343693869.db2.gz SUOYSVAJTHLXSZ-UHFFFAOYSA-N 0 3 197.282 0.764 20 0 ACADHN CCn1nccc1CNC[C@H](C)O 96033621 343693952 /nfs/dbraw/zinc/69/39/52/343693952.db2.gz ODWKWTVERMKLGI-QMMMGPOBSA-N 0 3 183.255 0.373 20 0 ACADHN CC[C@@H](CO)NCc1ccnn1CC 96033635 343693974 /nfs/dbraw/zinc/69/39/74/343693974.db2.gz INEFEOCMKCRWRU-VIFPVBQESA-N 0 3 197.282 0.764 20 0 ACADHN CCn1nccc1CNC[C@@H](C)O 96033620 343693989 /nfs/dbraw/zinc/69/39/89/343693989.db2.gz ODWKWTVERMKLGI-MRVPVSSYSA-N 0 3 183.255 0.373 20 0 ACADHN CCn1nccc1CNCC[C@@H](C)O 96033659 343694012 /nfs/dbraw/zinc/69/40/12/343694012.db2.gz MLPBNPBEDJAFBV-SECBINFHSA-N 0 3 197.282 0.764 20 0 ACADHN Cc1cc(OC2CNC2)cc(=O)n1C 96034693 343694466 /nfs/dbraw/zinc/69/44/66/343694466.db2.gz CDTMNAYBZJBZRV-UHFFFAOYSA-N 0 3 194.234 0.044 20 0 ACADHN Cn1ccc(CNCC2(C)COC2)n1 96514013 343697605 /nfs/dbraw/zinc/69/76/05/343697605.db2.gz NXMJELUESZTKNE-UHFFFAOYSA-N 0 3 195.266 0.546 20 0 ACADHN Cc1n[nH]c(C)c1CN[C@H](C)CCO 96811571 343700662 /nfs/dbraw/zinc/70/06/62/343700662.db2.gz GRLPYRNCGJFBPR-SSDOTTSWSA-N 0 3 197.282 0.887 20 0 ACADHN CCn1cc(CN[C@H](C)CCO)cn1 96811737 343700637 /nfs/dbraw/zinc/70/06/37/343700637.db2.gz CGUAKXAIFNZTJO-SECBINFHSA-N 0 3 197.282 0.764 20 0 ACADHN Cc1n[nH]cc1CN[C@H](C)CCO 96811641 343700641 /nfs/dbraw/zinc/70/06/41/343700641.db2.gz ALBJAXJMOVNJSQ-SSDOTTSWSA-N 0 3 183.255 0.579 20 0 ACADHN CCn1cc(CN[C@@H](C)CCO)cn1 96811736 343700644 /nfs/dbraw/zinc/70/06/44/343700644.db2.gz CGUAKXAIFNZTJO-VIFPVBQESA-N 0 3 197.282 0.764 20 0 ACADHN C[C@H](CCO)NCc1cncn1C 96811401 343700648 /nfs/dbraw/zinc/70/06/48/343700648.db2.gz JZVBJTRKQMUOEW-MRVPVSSYSA-N 0 3 183.255 0.281 20 0 ACADHN C[C@@H](CCO)NCc1cnn(C)c1 96811364 343700650 /nfs/dbraw/zinc/70/06/50/343700650.db2.gz YWCVRXWIQKMEDU-QMMMGPOBSA-N 0 3 183.255 0.281 20 0 ACADHN C[C@@H](CCO)NCc1cccnc1 96811478 343700685 /nfs/dbraw/zinc/70/06/85/343700685.db2.gz SIRBYKHFLSYQTO-VIFPVBQESA-N 0 3 180.251 0.942 20 0 ACADHN Cc1n[nH]c(C)c1CN[C@@H](C)CCO 96811570 343700696 /nfs/dbraw/zinc/70/06/96/343700696.db2.gz GRLPYRNCGJFBPR-ZETCQYMHSA-N 0 3 197.282 0.887 20 0 ACADHN C[C@@H](CCO)NCc1cncn1C 96811400 343700806 /nfs/dbraw/zinc/70/08/06/343700806.db2.gz JZVBJTRKQMUOEW-QMMMGPOBSA-N 0 3 183.255 0.281 20 0 ACADHN C[C@H](CCO)NCc1cccnc1 96811479 343700966 /nfs/dbraw/zinc/70/09/66/343700966.db2.gz SIRBYKHFLSYQTO-SECBINFHSA-N 0 3 180.251 0.942 20 0 ACADHN C[C@H](CCO)NCc1cnn(C)c1 96811365 343700979 /nfs/dbraw/zinc/70/09/79/343700979.db2.gz YWCVRXWIQKMEDU-MRVPVSSYSA-N 0 3 183.255 0.281 20 0 ACADHN C[C@@H](CCO)NCc1ccncc1 96811834 343701370 /nfs/dbraw/zinc/70/13/70/343701370.db2.gz MOQHKMCBLJVCPP-VIFPVBQESA-N 0 3 180.251 0.942 20 0 ACADHN C[C@H](CCO)NCc1ccncc1 96811835 343701473 /nfs/dbraw/zinc/70/14/73/343701473.db2.gz MOQHKMCBLJVCPP-SECBINFHSA-N 0 3 180.251 0.942 20 0 ACADHN C[C@H](CCO)CNCc1ccn(C)n1 97604903 343702533 /nfs/dbraw/zinc/70/25/33/343702533.db2.gz JYJZCGKCHCCDGO-SECBINFHSA-N 0 3 197.282 0.528 20 0 ACADHN C[C@@H](CCO)CNCc1ccn(C)n1 97604901 343702548 /nfs/dbraw/zinc/70/25/48/343702548.db2.gz JYJZCGKCHCCDGO-VIFPVBQESA-N 0 3 197.282 0.528 20 0 ACADHN C[C@@H](CCO)NCc1ccc(CO)o1 97603117 343702658 /nfs/dbraw/zinc/70/26/58/343702658.db2.gz RCHHDGGKTOZWBE-QMMMGPOBSA-N 0 3 199.250 0.632 20 0 ACADHN C[C@H](CCO)NCc1ccc(CO)o1 97603119 343702706 /nfs/dbraw/zinc/70/27/06/343702706.db2.gz RCHHDGGKTOZWBE-MRVPVSSYSA-N 0 3 199.250 0.632 20 0 ACADHN FC(F)(F)[C@@H]1O[C@@H]2CN[C@H]1C2 97759002 343703458 /nfs/dbraw/zinc/70/34/58/343703458.db2.gz LXNCGDHRXNFXPZ-VAYJURFESA-N 0 3 167.130 0.678 20 0 ACADHN Cc1nc(C)c(CN)c(N)n1 98177662 343706099 /nfs/dbraw/zinc/70/60/99/343706099.db2.gz DEOWHUDUQMOMEQ-UHFFFAOYSA-N 0 3 152.201 0.134 20 0 ACADHN CC(C)[C@H](C(N)=O)N(C)C 104561131 343733168 /nfs/dbraw/zinc/73/31/68/343733168.db2.gz PRDWPBCNIYFBIV-ZCFIWIBFSA-N 0 3 144.218 0.058 20 0 ACADHN C[C@H](N)c1ccncc1N 104660179 343734657 /nfs/dbraw/zinc/73/46/57/343734657.db2.gz HSFJLXYYXSBTBR-YFKPBYRVSA-N 0 3 137.186 0.684 20 0 ACADHN NCc1cccc2cncn12 107157246 343744956 /nfs/dbraw/zinc/74/49/56/343744956.db2.gz CRAQSFZIZVMJIG-UHFFFAOYSA-N 0 3 147.181 0.793 20 0 ACADHN Cc1cc2n(n1)CCC[C@@H]2N 107325226 343748907 /nfs/dbraw/zinc/74/89/07/343748907.db2.gz XXDGIZQGCTUTJI-ZETCQYMHSA-N 0 3 151.213 0.985 20 0 ACADHN C1Cc2nnn(C3CC3)c2CN1 107308121 343749215 /nfs/dbraw/zinc/74/92/15/343749215.db2.gz NVJJCPKOHPWQFZ-UHFFFAOYSA-N 0 3 164.212 0.259 20 0 ACADHN CC(C)n1nnc2c1CNCC2 107308119 343749313 /nfs/dbraw/zinc/74/93/13/343749313.db2.gz LOJFIOULIGGNBJ-UHFFFAOYSA-N 0 3 166.228 0.505 20 0 ACADHN CSCC[C@@H](N)C(=O)NC1CC1 107841739 343750141 /nfs/dbraw/zinc/75/01/41/343750141.db2.gz SYUBCGQYJRNKBE-SSDOTTSWSA-N 0 3 188.296 0.345 20 0 ACADHN Cc1cc(N2CCNCC2)cnc1N 107846412 343750233 /nfs/dbraw/zinc/75/02/33/343750233.db2.gz BNGOSZTURXKBNT-UHFFFAOYSA-N 0 3 192.266 0.382 20 0 ACADHN CC(C)[C@H]1CN(C)CCN1CCO 108339956 343752223 /nfs/dbraw/zinc/75/22/23/343752223.db2.gz GIDJTSUMHRPDND-SNVBAGLBSA-N 0 3 186.299 0.251 20 0 ACADHN CC(C)[C@@H]1CN(C)CCN1CCO 108339954 343752242 /nfs/dbraw/zinc/75/22/42/343752242.db2.gz GIDJTSUMHRPDND-JTQLQIEISA-N 0 3 186.299 0.251 20 0 ACADHN CC(C)[C@H]1CN(CCO)CCN1C 108339971 343752403 /nfs/dbraw/zinc/75/24/03/343752403.db2.gz IPJMYOIOYKEUOT-SNVBAGLBSA-N 0 3 186.299 0.251 20 0 ACADHN CC(C)[C@@H]1CN(CCO)CCN1C 108339969 343752577 /nfs/dbraw/zinc/75/25/77/343752577.db2.gz IPJMYOIOYKEUOT-JTQLQIEISA-N 0 3 186.299 0.251 20 0 ACADHN Cn1ccc(CNC[C@H]2CCOC2)n1 112342882 343754716 /nfs/dbraw/zinc/75/47/16/343754716.db2.gz DCZQVJJMOWITPT-SECBINFHSA-N 0 3 195.266 0.546 20 0 ACADHN COCCCCNCc1ccn(C)n1 112341206 343754860 /nfs/dbraw/zinc/75/48/60/343754860.db2.gz MSUWUBITMMRZTI-UHFFFAOYSA-N 0 3 197.282 0.936 20 0 ACADHN Cn1ccc(CNC[C@@H]2CCOC2)n1 112342879 343754931 /nfs/dbraw/zinc/75/49/31/343754931.db2.gz DCZQVJJMOWITPT-VIFPVBQESA-N 0 3 195.266 0.546 20 0 ACADHN COC[C@H](C)CNCc1ccn(C)n1 112343076 343755194 /nfs/dbraw/zinc/75/51/94/343755194.db2.gz BJZHSUOVRBCPMO-SECBINFHSA-N 0 3 197.282 0.792 20 0 ACADHN COCC[C@@H](C)NCc1ccn(C)n1 112344834 343755196 /nfs/dbraw/zinc/75/51/96/343755196.db2.gz HXLGYKKIFHOZOX-SECBINFHSA-N 0 3 197.282 0.935 20 0 ACADHN C[C@H](CNCc1ccn(C)n1)N(C)C 112837773 343755203 /nfs/dbraw/zinc/75/52/03/343755203.db2.gz KKPIBTIPRZQGOR-SECBINFHSA-N 0 3 196.298 0.460 20 0 ACADHN COC[C@@H](C)CNCc1ccn(C)n1 112343073 343755216 /nfs/dbraw/zinc/75/52/16/343755216.db2.gz BJZHSUOVRBCPMO-VIFPVBQESA-N 0 3 197.282 0.792 20 0 ACADHN COCC[C@H](C)NCc1ccn(C)n1 112344832 343755396 /nfs/dbraw/zinc/75/53/96/343755396.db2.gz HXLGYKKIFHOZOX-VIFPVBQESA-N 0 3 197.282 0.935 20 0 ACADHN C[C@@H](CNCc1ccn(C)n1)N(C)C 112837770 343755698 /nfs/dbraw/zinc/75/56/98/343755698.db2.gz KKPIBTIPRZQGOR-VIFPVBQESA-N 0 3 196.298 0.460 20 0 ACADHN CC(=O)NCCN1CCC[C@H](C)C1 112942141 343756072 /nfs/dbraw/zinc/75/60/72/343756072.db2.gz HSDUDTKODCTPKU-VIFPVBQESA-N 0 3 184.283 0.854 20 0 ACADHN CC(=O)NCCN1CCC[C@@H](C)C1 112942150 343756002 /nfs/dbraw/zinc/75/60/02/343756002.db2.gz HSDUDTKODCTPKU-SECBINFHSA-N 0 3 184.283 0.854 20 0 ACADHN CCCN1CC[C@@H](NC(C)=O)C1 113249916 343757693 /nfs/dbraw/zinc/75/76/93/343757693.db2.gz QWHSIVRXNHWEHD-SECBINFHSA-N 0 3 170.256 0.607 20 0 ACADHN CCCN1CC[C@H](NC(C)=O)C1 113249914 343757710 /nfs/dbraw/zinc/75/77/10/343757710.db2.gz QWHSIVRXNHWEHD-VIFPVBQESA-N 0 3 170.256 0.607 20 0 ACADHN CC[C@H](O)CN(C)[C@@H]1CCOC1 113315726 343758165 /nfs/dbraw/zinc/75/81/65/343758165.db2.gz KUONLNBNEVVONE-BDAKNGLRSA-N 0 3 173.256 0.478 20 0 ACADHN CC[C@@H](O)CN(C)[C@@H]1CCOC1 113315728 343758185 /nfs/dbraw/zinc/75/81/85/343758185.db2.gz KUONLNBNEVVONE-RKDXNWHRSA-N 0 3 173.256 0.478 20 0 ACADHN COCCN1CCSCC1 113421365 343758666 /nfs/dbraw/zinc/75/86/66/343758666.db2.gz LPKCVVMDZKZBOB-UHFFFAOYSA-N 0 3 161.270 0.682 20 0 ACADHN CCN(C)CCN1CCOCC1 114390516 343762687 /nfs/dbraw/zinc/76/26/87/343762687.db2.gz OYQYXYIGQQDFEJ-UHFFFAOYSA-N 0 3 172.272 0.270 20 0 ACADHN COCCN1CCC[C@H](OC)C1 114601061 343763380 /nfs/dbraw/zinc/76/33/80/343763380.db2.gz PTTQXYKNGLWLTE-VIFPVBQESA-N 0 3 173.256 0.744 20 0 ACADHN COCCN1CCC[C@@H](OC)C1 114601063 343763456 /nfs/dbraw/zinc/76/34/56/343763456.db2.gz PTTQXYKNGLWLTE-SECBINFHSA-N 0 3 173.256 0.744 20 0 ACADHN CCN(C)C(=O)CN1CCCCC1 114601934 343763641 /nfs/dbraw/zinc/76/36/41/343763641.db2.gz NTGAKZJKSOYADN-UHFFFAOYSA-N 0 3 184.283 0.951 20 0 ACADHN CCOc1cc(CN)nnc1OCC 115383335 343766641 /nfs/dbraw/zinc/76/66/41/343766641.db2.gz GQCNFKOQFFYLCD-UHFFFAOYSA-N 0 3 197.238 0.733 20 0 ACADHN CC1(C(=O)N2CCCNCC2)CCC1 115362081 343766739 /nfs/dbraw/zinc/76/67/39/343766739.db2.gz FVTCIPYNWZZHOX-UHFFFAOYSA-N 0 3 196.294 0.999 20 0 ACADHN CNC(=O)N1CC[C@@H](N2CCCC2)C1 122153629 343778176 /nfs/dbraw/zinc/77/81/76/343778176.db2.gz WZYYKAKWPXEVKS-SECBINFHSA-N 0 3 197.282 0.496 20 0 ACADHN CNC(=O)N1CC[C@H](N2CCCC2)C1 122153407 343778247 /nfs/dbraw/zinc/77/82/47/343778247.db2.gz WZYYKAKWPXEVKS-VIFPVBQESA-N 0 3 197.282 0.496 20 0 ACADHN CNCC(=O)NC[C@@H](C)SC 122359828 343779114 /nfs/dbraw/zinc/77/91/14/343779114.db2.gz GMRKRDOUOYSHHR-ZCFIWIBFSA-N 0 3 176.285 0.074 20 0 ACADHN CS[C@@H](C)CNC(=O)[C@H](C)N 122381619 343779194 /nfs/dbraw/zinc/77/91/94/343779194.db2.gz LZIRRFYYEMUTPV-WDSKDSINSA-N 0 3 176.285 0.201 20 0 ACADHN CC[C@@H](N)C(=O)NC[C@@H](C)SC 122384965 343779270 /nfs/dbraw/zinc/77/92/70/343779270.db2.gz AOIKKQVIHWHMRF-RNFRBKRXSA-N 0 3 190.312 0.591 20 0 ACADHN CC[C@@H](N)C(=O)NC[C@H](C)SC 122385184 343779284 /nfs/dbraw/zinc/77/92/84/343779284.db2.gz AOIKKQVIHWHMRF-NKWVEPMBSA-N 0 3 190.312 0.591 20 0 ACADHN CNCC(=O)NC[C@H](C)SC 122359648 343779301 /nfs/dbraw/zinc/77/93/01/343779301.db2.gz GMRKRDOUOYSHHR-LURJTMIESA-N 0 3 176.285 0.074 20 0 ACADHN CS[C@@H](C)CNC(=O)[C@@H](C)N 122391568 343779398 /nfs/dbraw/zinc/77/93/98/343779398.db2.gz LZIRRFYYEMUTPV-NTSWFWBYSA-N 0 3 176.285 0.201 20 0 ACADHN CS[C@H](C)CNC(=O)[C@@H](C)N 122391340 343779421 /nfs/dbraw/zinc/77/94/21/343779421.db2.gz LZIRRFYYEMUTPV-PHDIDXHHSA-N 0 3 176.285 0.201 20 0 ACADHN CC[C@H](N)C(=O)NC[C@H](C)SC 122352886 343779440 /nfs/dbraw/zinc/77/94/40/343779440.db2.gz AOIKKQVIHWHMRF-BQBZGAKWSA-N 0 3 190.312 0.591 20 0 ACADHN CN(C)C(=O)N(C)CCN1CCCC1 122425133 343779449 /nfs/dbraw/zinc/77/94/49/343779449.db2.gz UNINIGBMBXLBDP-UHFFFAOYSA-N 0 3 199.298 0.696 20 0 ACADHN CN(CC(F)F)C(=O)C1(N)CCC1 122486065 343779738 /nfs/dbraw/zinc/77/97/38/343779738.db2.gz GFFUGJBVEUPIPX-UHFFFAOYSA-N 0 3 192.209 0.591 20 0 ACADHN CNC(=O)N(C)CC1CCN(C)CC1 122546600 343779809 /nfs/dbraw/zinc/77/98/09/343779809.db2.gz FTIMOLVEUKGNCO-UHFFFAOYSA-N 0 3 199.298 0.599 20 0 ACADHN CCNC(=O)N(C)CCN1CCCC1 122431032 343779905 /nfs/dbraw/zinc/77/99/05/343779905.db2.gz DTMSZRNMHJTAAS-UHFFFAOYSA-N 0 3 199.298 0.744 20 0 ACADHN CNC(=O)N(C)CCN1CCCC1 122430748 343780088 /nfs/dbraw/zinc/78/00/88/343780088.db2.gz FNQIMYWBWMQHPZ-UHFFFAOYSA-N 0 3 185.271 0.353 20 0 ACADHN CNC(=O)N1CCC[C@H](N(C)C)C1 122659802 343780604 /nfs/dbraw/zinc/78/06/04/343780604.db2.gz SDGXSQYMXDADRA-QMMMGPOBSA-N 0 3 185.271 0.352 20 0 ACADHN CNC(=O)N1CCC[C@@H](N(C)C)C1 122660074 343780752 /nfs/dbraw/zinc/78/07/52/343780752.db2.gz SDGXSQYMXDADRA-MRVPVSSYSA-N 0 3 185.271 0.352 20 0 ACADHN CCNC(=O)NC[C@H]1CCCN(C)C1 122984439 343781693 /nfs/dbraw/zinc/78/16/93/343781693.db2.gz LJSCGGKSWAIBLT-SECBINFHSA-N 0 3 199.298 0.647 20 0 ACADHN CNC(=O)NC[C@@H]1CCCN(C)C1 122984853 343781723 /nfs/dbraw/zinc/78/17/23/343781723.db2.gz ZLZUIWIHFYDHMD-QMMMGPOBSA-N 0 3 185.271 0.257 20 0 ACADHN CN1CCC[C@@H](CNC(=O)N(C)C)C1 122982910 343781862 /nfs/dbraw/zinc/78/18/62/343781862.db2.gz AIGATEJOMWFBEZ-VIFPVBQESA-N 0 3 199.298 0.599 20 0 ACADHN CCNC(=O)NC[C@@H]1CCCN(C)C1 122984217 343781926 /nfs/dbraw/zinc/78/19/26/343781926.db2.gz LJSCGGKSWAIBLT-VIFPVBQESA-N 0 3 199.298 0.647 20 0 ACADHN CNC(=O)NC[C@H]1CCCN(C)C1 122985080 343781983 /nfs/dbraw/zinc/78/19/83/343781983.db2.gz ZLZUIWIHFYDHMD-MRVPVSSYSA-N 0 3 185.271 0.257 20 0 ACADHN CN1CCC[C@H](CNC(=O)N(C)C)C1 122982668 343781998 /nfs/dbraw/zinc/78/19/98/343781998.db2.gz AIGATEJOMWFBEZ-SECBINFHSA-N 0 3 199.298 0.599 20 0 ACADHN CCC[C@H](O)CNCc1c[nH]nc1C 123302647 343782419 /nfs/dbraw/zinc/78/24/19/343782419.db2.gz RSTUFIXQOQIUHW-JTQLQIEISA-N 0 3 197.282 0.969 20 0 ACADHN CCC[C@@H](O)CNCc1cncn1C 123288759 343782438 /nfs/dbraw/zinc/78/24/38/343782438.db2.gz UQZJBZLKFIIZJY-SNVBAGLBSA-N 0 3 197.282 0.671 20 0 ACADHN CCC[C@H](O)CNCc1cncn1C 123288533 343782745 /nfs/dbraw/zinc/78/27/45/343782745.db2.gz UQZJBZLKFIIZJY-JTQLQIEISA-N 0 3 197.282 0.671 20 0 ACADHN Cn1cncc1CNCC1(O)CCC1 123173383 343782624 /nfs/dbraw/zinc/78/26/24/343782624.db2.gz XHVYGDBZUYKXKD-UHFFFAOYSA-N 0 3 195.266 0.425 20 0 ACADHN Cc1n[nH]cc1CNCC1(O)CCC1 123169657 343782665 /nfs/dbraw/zinc/78/26/65/343782665.db2.gz NLTLEDUTKZTCJI-UHFFFAOYSA-N 0 3 195.266 0.723 20 0 ACADHN Cn1cc(CNCC2(O)CCC2)cn1 123171879 343782705 /nfs/dbraw/zinc/78/27/05/343782705.db2.gz IWIAFGXOSURQNI-UHFFFAOYSA-N 0 3 195.266 0.425 20 0 ACADHN CCC[C@@H](O)CNCc1c[nH]nc1C 123302862 343782787 /nfs/dbraw/zinc/78/27/87/343782787.db2.gz RSTUFIXQOQIUHW-SNVBAGLBSA-N 0 3 197.282 0.969 20 0 ACADHN CC(C)NC(=O)NCCN(C)C1CC1 123320044 343782972 /nfs/dbraw/zinc/78/29/72/343782972.db2.gz CXKSDMDLKYQJEH-UHFFFAOYSA-N 0 3 199.298 0.788 20 0 ACADHN CCC[C@H](O)CNCc1cnn(C)c1 123312924 343783066 /nfs/dbraw/zinc/78/30/66/343783066.db2.gz ZJIXTTFIDSGGPO-JTQLQIEISA-N 0 3 197.282 0.671 20 0 ACADHN CNC(=O)NCCN(C)C1CC1 123319810 343783089 /nfs/dbraw/zinc/78/30/89/343783089.db2.gz JDVKQGOHOOQJPF-UHFFFAOYSA-N 0 3 171.244 0.010 20 0 ACADHN CCNC(=O)NCCN(C)C1CC1 123320399 343783140 /nfs/dbraw/zinc/78/31/40/343783140.db2.gz SFEYWPBKGPXQOH-UHFFFAOYSA-N 0 3 185.271 0.400 20 0 ACADHN CCCNC(=O)NCCN(C)C1CC1 123320659 343783153 /nfs/dbraw/zinc/78/31/53/343783153.db2.gz WVYPOEXDUZEFJZ-UHFFFAOYSA-N 0 3 199.298 0.790 20 0 ACADHN CCC[C@@H](O)CNCc1cnn(C)c1 123313120 343783231 /nfs/dbraw/zinc/78/32/31/343783231.db2.gz ZJIXTTFIDSGGPO-SNVBAGLBSA-N 0 3 197.282 0.671 20 0 ACADHN CCN(C)C(=O)NCCN(C)C1CC1 123327803 343783311 /nfs/dbraw/zinc/78/33/11/343783311.db2.gz AEICKIYRLDYGFO-UHFFFAOYSA-N 0 3 199.298 0.742 20 0 ACADHN CC1CC(NC(=O)[C@H](N)C(C)C)C1 123484480 343783638 /nfs/dbraw/zinc/78/36/38/343783638.db2.gz AYTLORYLFTYVOO-AMDVSUOASA-N 0 3 184.283 0.884 20 0 ACADHN CC1CC(NC(=O)C2(N)CCC2)C1 123467440 343783709 /nfs/dbraw/zinc/78/37/09/343783709.db2.gz PLVSHDPSIQVESK-UHFFFAOYSA-N 0 3 182.267 0.783 20 0 ACADHN C[C@H]1CN(CCCO)C[C@@H](C)N1C 123579641 343784147 /nfs/dbraw/zinc/78/41/47/343784147.db2.gz YQUDSAXDJSRNAA-AOOOYVTPSA-N 0 3 186.299 0.393 20 0 ACADHN C[C@H]1CN(CCO)C[C@@H](C)N1C 123581765 343784389 /nfs/dbraw/zinc/78/43/89/343784389.db2.gz YAZZDLUHQQQWGQ-DTORHVGOSA-N 0 3 172.272 0.003 20 0 ACADHN CC(C)[C@H](O)CNCc1cnn(C)c1 123935791 343784914 /nfs/dbraw/zinc/78/49/14/343784914.db2.gz XFWBNRCTKZCONG-SNVBAGLBSA-N 0 3 197.282 0.527 20 0 ACADHN CC(C)[C@@H](O)CNCc1cncn1C 123929674 343785251 /nfs/dbraw/zinc/78/52/51/343785251.db2.gz VJZMSNGXGOZHFK-JTQLQIEISA-N 0 3 197.282 0.527 20 0 ACADHN CC(C)[C@@H](O)CNCc1cnn(C)c1 123936033 343785275 /nfs/dbraw/zinc/78/52/75/343785275.db2.gz XFWBNRCTKZCONG-JTQLQIEISA-N 0 3 197.282 0.527 20 0 ACADHN Cc1n[nH]cc1CNC[C@@H](O)C(C)C 123902719 343785307 /nfs/dbraw/zinc/78/53/07/343785307.db2.gz XLXZNVJEBZVAQI-SNVBAGLBSA-N 0 3 197.282 0.825 20 0 ACADHN CC(C)[C@H](O)CNCc1cncn1C 123929447 343785328 /nfs/dbraw/zinc/78/53/28/343785328.db2.gz VJZMSNGXGOZHFK-SNVBAGLBSA-N 0 3 197.282 0.527 20 0 ACADHN Cc1n[nH]cc1CNC[C@H](O)C(C)C 123902486 343785342 /nfs/dbraw/zinc/78/53/42/343785342.db2.gz XLXZNVJEBZVAQI-JTQLQIEISA-N 0 3 197.282 0.825 20 0 ACADHN CC[C@H]1CC[C@H](C)N1CC(N)=O 124628049 343787584 /nfs/dbraw/zinc/78/75/84/343787584.db2.gz FMIRVHRYVLEXAX-YUMQZZPRSA-N 0 3 170.256 0.735 20 0 ACADHN CC[C@H]1CC[C@@H](C)N1CC(N)=O 124628423 343787636 /nfs/dbraw/zinc/78/76/36/343787636.db2.gz FMIRVHRYVLEXAX-SFYZADRCSA-N 0 3 170.256 0.735 20 0 ACADHN CN(Cc1cnn(C)c1)C(C)(C)CO 124779732 343787741 /nfs/dbraw/zinc/78/77/41/343787741.db2.gz CTSSIKJYUWJUHX-UHFFFAOYSA-N 0 3 197.282 0.623 20 0 ACADHN CC[C@@H]1CC[C@H](C)N1CC(N)=O 124627845 343787759 /nfs/dbraw/zinc/78/77/59/343787759.db2.gz FMIRVHRYVLEXAX-JGVFFNPUSA-N 0 3 170.256 0.735 20 0 ACADHN CC[C@@H]1CC[C@@H](C)N1CC(N)=O 124628217 343787776 /nfs/dbraw/zinc/78/77/76/343787776.db2.gz FMIRVHRYVLEXAX-HTQZYQBOSA-N 0 3 170.256 0.735 20 0 ACADHN C[C@H](N)C(=O)Nc1ccc(CO)cc1 125106735 343789184 /nfs/dbraw/zinc/78/91/84/343789184.db2.gz WVHYSQPIGWZPAZ-ZETCQYMHSA-N 0 3 194.234 0.465 20 0 ACADHN CNC(=O)N1C[C@@H](C)NC[C@H]1C 125318012 343790107 /nfs/dbraw/zinc/79/01/07/343790107.db2.gz ZFLPPFCCHNTIBR-RNFRBKRXSA-N 0 3 171.244 0.008 20 0 ACADHN CNC(=O)N1C[C@H](C)NC[C@H]1C 125318507 343790328 /nfs/dbraw/zinc/79/03/28/343790328.db2.gz ZFLPPFCCHNTIBR-NKWVEPMBSA-N 0 3 171.244 0.008 20 0 ACADHN CNC(=O)N1C[C@@H](C)NC[C@@H]1C 125318248 343790357 /nfs/dbraw/zinc/79/03/57/343790357.db2.gz ZFLPPFCCHNTIBR-RQJHMYQMSA-N 0 3 171.244 0.008 20 0 ACADHN C[C@H]1C[C@@H](C)CN1CC(N)=O 125690056 343791145 /nfs/dbraw/zinc/79/11/45/343791145.db2.gz VVRYTYZWBFOYPS-RQJHMYQMSA-N 0 3 156.229 0.202 20 0 ACADHN C[C@H]1C[C@H](C)N(CC(N)=O)C1 125690269 343791310 /nfs/dbraw/zinc/79/13/10/343791310.db2.gz VVRYTYZWBFOYPS-BQBZGAKWSA-N 0 3 156.229 0.202 20 0 ACADHN C[C@H]1C[C@@H](C)N(CC(N)=O)C1 125690733 343791367 /nfs/dbraw/zinc/79/13/67/343791367.db2.gz VVRYTYZWBFOYPS-NKWVEPMBSA-N 0 3 156.229 0.202 20 0 ACADHN CC[C@@H](CCO)NCc1c[nH]nc1C 125777640 343791729 /nfs/dbraw/zinc/79/17/29/343791729.db2.gz QLYJIIVPBXCRJP-JTQLQIEISA-N 0 3 197.282 0.969 20 0 ACADHN CC[C@@H](CCO)NCc1cncn1C 125770796 343791800 /nfs/dbraw/zinc/79/18/00/343791800.db2.gz HRUUWBSNIZIIDX-VIFPVBQESA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@@H](CCO)NCc1ccn(C)n1 125771242 343791841 /nfs/dbraw/zinc/79/18/41/343791841.db2.gz HCZNEKADBDFTMQ-VIFPVBQESA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@@H](CCO)NCc1cc[nH]n1 125770361 343791854 /nfs/dbraw/zinc/79/18/54/343791854.db2.gz XVBNUTKNKNPQJC-QMMMGPOBSA-N 0 3 183.255 0.660 20 0 ACADHN CC[C@H](CCO)NCc1cncn1C 125771032 343791993 /nfs/dbraw/zinc/79/19/93/343791993.db2.gz HRUUWBSNIZIIDX-SECBINFHSA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@H](CCO)NCc1ccn(C)n1 125771436 343792087 /nfs/dbraw/zinc/79/20/87/343792087.db2.gz HCZNEKADBDFTMQ-SECBINFHSA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@H](CCO)NCc1c[nH]nc1C 125777869 343792179 /nfs/dbraw/zinc/79/21/79/343792179.db2.gz QLYJIIVPBXCRJP-SNVBAGLBSA-N 0 3 197.282 0.969 20 0 ACADHN CC[C@H](CCO)NCc1cc[nH]n1 125770604 343792224 /nfs/dbraw/zinc/79/22/24/343792224.db2.gz XVBNUTKNKNPQJC-MRVPVSSYSA-N 0 3 183.255 0.660 20 0 ACADHN CC[C@H](CCO)NCc1ncc[nH]1 125790847 343792332 /nfs/dbraw/zinc/79/23/32/343792332.db2.gz JCMONJHJESFRRT-MRVPVSSYSA-N 0 3 183.255 0.660 20 0 ACADHN CC[C@H](CCO)NCc1cnn(C)c1 125789816 343792396 /nfs/dbraw/zinc/79/23/96/343792396.db2.gz HVGFCTCOSIZHHY-SNVBAGLBSA-N 0 3 197.282 0.671 20 0 ACADHN CC[C@@H](CCO)NCc1ncc[nH]1 125790629 343792412 /nfs/dbraw/zinc/79/24/12/343792412.db2.gz JCMONJHJESFRRT-QMMMGPOBSA-N 0 3 183.255 0.660 20 0 ACADHN CC[C@@H](CCO)NCc1cnn(C)c1 125789663 343792493 /nfs/dbraw/zinc/79/24/93/343792493.db2.gz HVGFCTCOSIZHHY-JTQLQIEISA-N 0 3 197.282 0.671 20 0 ACADHN C[C@H]1C[C@H](NC(=O)N(C)C)CCN1C 126104186 343792752 /nfs/dbraw/zinc/79/27/52/343792752.db2.gz IANOOPNNPHPZCB-DTWKUNHWSA-N 0 3 199.298 0.740 20 0 ACADHN CCSCCN(C)CCO 125913555 343792830 /nfs/dbraw/zinc/79/28/30/343792830.db2.gz RQCBISXVEGKSAJ-UHFFFAOYSA-N 0 3 163.286 0.664 20 0 ACADHN CNCC(=O)N(C)C1CCC1 126187436 343792889 /nfs/dbraw/zinc/79/28/89/343792889.db2.gz RYWQTIMHCMAXJD-UHFFFAOYSA-N 0 3 156.229 0.217 20 0 ACADHN CN1CCC[C@H](N(C)C(=O)N(C)C)C1 126103007 343792960 /nfs/dbraw/zinc/79/29/60/343792960.db2.gz MDHFOSCSQOBYLR-VIFPVBQESA-N 0 3 199.298 0.694 20 0 ACADHN C[C@H]1C[C@@H](NC(=O)N(C)C)CCN1C 126104668 343793149 /nfs/dbraw/zinc/79/31/49/343793149.db2.gz IANOOPNNPHPZCB-IUCAKERBSA-N 0 3 199.298 0.740 20 0 ACADHN C[C@H](CNCc1cn(C)nn1)C1CC1 126715885 343795903 /nfs/dbraw/zinc/79/59/03/343795903.db2.gz NDLJDFHDUAGIQA-MRVPVSSYSA-N 0 3 194.282 0.951 20 0 ACADHN C[C@@H](CNCc1cn(C)nn1)C1CC1 126715622 343796091 /nfs/dbraw/zinc/79/60/91/343796091.db2.gz NDLJDFHDUAGIQA-QMMMGPOBSA-N 0 3 194.282 0.951 20 0 ACADHN C[C@@H](C(=O)[O-])[N@@H+]1C[C@H](CN)C[C@H]1C 126901413 343799533 /nfs/dbraw/zinc/79/95/33/343799533.db2.gz NYCOFZXKLTZFLE-CSMHCCOUSA-N 0 3 186.255 0.129 20 0 ACADHN C[C@@H](C(=O)[O-])[N@H+]1C[C@H](CN)C[C@H]1C 126901413 343799535 /nfs/dbraw/zinc/79/95/35/343799535.db2.gz NYCOFZXKLTZFLE-CSMHCCOUSA-N 0 3 186.255 0.129 20 0 ACADHN C[C@@H](C(=O)[O-])[N@@H+]1C[C@@H](CN)C[C@H]1C 126900959 343799559 /nfs/dbraw/zinc/79/95/59/343799559.db2.gz NYCOFZXKLTZFLE-GJMOJQLCSA-N 0 3 186.255 0.129 20 0 ACADHN CO[C@H](CN)c1cscn1 126982388 343802061 /nfs/dbraw/zinc/80/20/61/343802061.db2.gz BGIPXSXFJHMMEO-ZCFIWIBFSA-N 0 3 158.226 0.789 20 0 ACADHN CO[C@@H](CN)c1cscn1 126982158 343802200 /nfs/dbraw/zinc/80/22/00/343802200.db2.gz BGIPXSXFJHMMEO-LURJTMIESA-N 0 3 158.226 0.789 20 0 ACADHN C[C@H](NCc1ncc[nH]1)[C@@H]1CCOC1 127025476 343803059 /nfs/dbraw/zinc/80/30/59/343803059.db2.gz ZZXFFRJNLGETEN-DTWKUNHWSA-N 0 3 195.266 0.924 20 0 ACADHN C[C@@H](NCc1ncc[nH]1)[C@@H]1CCOC1 127025688 343803091 /nfs/dbraw/zinc/80/30/91/343803091.db2.gz ZZXFFRJNLGETEN-RKDXNWHRSA-N 0 3 195.266 0.924 20 0 ACADHN C[C@@H](NCc1ncc[nH]1)[C@H]1CCOC1 127026161 343803146 /nfs/dbraw/zinc/80/31/46/343803146.db2.gz ZZXFFRJNLGETEN-BDAKNGLRSA-N 0 3 195.266 0.924 20 0 ACADHN C[C@@H](NCc1cc[nH]n1)[C@H]1CCOC1 127028008 343803158 /nfs/dbraw/zinc/80/31/58/343803158.db2.gz SEJAUXSQIOQFFJ-BDAKNGLRSA-N 0 3 195.266 0.924 20 0 ACADHN C[C@H](NCc1cc[nH]n1)[C@H]1CCOC1 127027755 343803233 /nfs/dbraw/zinc/80/32/33/343803233.db2.gz SEJAUXSQIOQFFJ-IUCAKERBSA-N 0 3 195.266 0.924 20 0 ACADHN C[C@H](NCc1ncc[nH]1)[C@H]1CCOC1 127025894 343803250 /nfs/dbraw/zinc/80/32/50/343803250.db2.gz ZZXFFRJNLGETEN-IUCAKERBSA-N 0 3 195.266 0.924 20 0 ACADHN Cn1cncc1CNC(C)(C)CCO 127138089 343804892 /nfs/dbraw/zinc/80/48/92/343804892.db2.gz CTSDRNYMKHCEED-UHFFFAOYSA-N 0 3 197.282 0.671 20 0 ACADHN Cc1n[nH]cc1CNC(C)(C)CCO 127134878 343804936 /nfs/dbraw/zinc/80/49/36/343804936.db2.gz CYWAHXIPZYGESZ-UHFFFAOYSA-N 0 3 197.282 0.969 20 0 ACADHN Cn1cc(CNC(C)(C)CCO)cn1 127127598 343805077 /nfs/dbraw/zinc/80/50/77/343805077.db2.gz ANCVDUGNDKGGLE-UHFFFAOYSA-N 0 3 197.282 0.671 20 0 ACADHN CNC(=O)N(C)[C@@H]1CCCN(C)C1 127285877 343809063 /nfs/dbraw/zinc/80/90/63/343809063.db2.gz OYDHXLMLAZVOSO-MRVPVSSYSA-N 0 3 185.271 0.352 20 0 ACADHN CNC(=O)N(C)[C@H]1CCCN(C)C1 127286114 343809172 /nfs/dbraw/zinc/80/91/72/343809172.db2.gz OYDHXLMLAZVOSO-QMMMGPOBSA-N 0 3 185.271 0.352 20 0 ACADHN CN(C(=O)C(C)(C)N)C1CCC1 127379593 343810806 /nfs/dbraw/zinc/81/08/06/343810806.db2.gz FJFHLRGWRSMXMN-UHFFFAOYSA-N 0 3 170.256 0.735 20 0 ACADHN CC(C)[C@@H](N)C(=O)N(C)C1CCC1 127386478 343811034 /nfs/dbraw/zinc/81/10/34/343811034.db2.gz ISWMNLFBVNMPCQ-SECBINFHSA-N 0 3 184.283 0.981 20 0 ACADHN CN(C(=O)C1(N)CCC1)C1CCC1 127423596 343811720 /nfs/dbraw/zinc/81/17/20/343811720.db2.gz UNRCGVUUCQHQJY-UHFFFAOYSA-N 0 3 182.267 0.879 20 0 ACADHN CNC(=O)N[C@H]1CCN(C)[C@H](C)C1 127565478 343813791 /nfs/dbraw/zinc/81/37/91/343813791.db2.gz UDMGBXGWJAPXNR-SFYZADRCSA-N 0 3 185.271 0.398 20 0 ACADHN CN(C)C(=O)N(C)C[C@@H]1CCCN1C 127551751 343814000 /nfs/dbraw/zinc/81/40/00/343814000.db2.gz ZIYRENGEKAGZPH-VIFPVBQESA-N 0 3 199.298 0.694 20 0 ACADHN CNC(=O)N[C@@H]1CCN(C)[C@H](C)C1 127564994 343813879 /nfs/dbraw/zinc/81/38/79/343813879.db2.gz UDMGBXGWJAPXNR-HTQZYQBOSA-N 0 3 185.271 0.398 20 0 ACADHN CNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 127565249 343814006 /nfs/dbraw/zinc/81/40/06/343814006.db2.gz UDMGBXGWJAPXNR-JGVFFNPUSA-N 0 3 185.271 0.398 20 0 ACADHN CNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 127565702 343814081 /nfs/dbraw/zinc/81/40/81/343814081.db2.gz UDMGBXGWJAPXNR-YUMQZZPRSA-N 0 3 185.271 0.398 20 0 ACADHN CNC(=O)N(C)C[C@H]1CCCN1C 127554547 343814099 /nfs/dbraw/zinc/81/40/99/343814099.db2.gz WUXIQAQOPPCWBE-MRVPVSSYSA-N 0 3 185.271 0.352 20 0 ACADHN CNC(=O)N(C)C[C@@H]1CCCN1C 127554325 343814106 /nfs/dbraw/zinc/81/41/06/343814106.db2.gz WUXIQAQOPPCWBE-QMMMGPOBSA-N 0 3 185.271 0.352 20 0 ACADHN CN(C)C(=O)N(C)C[C@H]1CCCN1C 127551507 343814116 /nfs/dbraw/zinc/81/41/16/343814116.db2.gz ZIYRENGEKAGZPH-SECBINFHSA-N 0 3 199.298 0.694 20 0 ACADHN CN[C@@H](C)C(=O)N[C@@H](C)CSC 127599891 343814977 /nfs/dbraw/zinc/81/49/77/343814977.db2.gz ZCNNDKHCZRONBK-BQBZGAKWSA-N 0 3 190.312 0.462 20 0 ACADHN CN[C@@H](C)C(=O)N[C@H](C)CSC 127600112 343815044 /nfs/dbraw/zinc/81/50/44/343815044.db2.gz ZCNNDKHCZRONBK-RQJHMYQMSA-N 0 3 190.312 0.462 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H](C)CSC 127637723 343815660 /nfs/dbraw/zinc/81/56/60/343815660.db2.gz QSEIUCKVFXKLBA-NKWVEPMBSA-N 0 3 190.312 0.591 20 0 ACADHN CC[C@@H](N)C(=O)N[C@H](C)CSC 127637969 343815914 /nfs/dbraw/zinc/81/59/14/343815914.db2.gz QSEIUCKVFXKLBA-RNFRBKRXSA-N 0 3 190.312 0.591 20 0 ACADHN Cc1ncccc1CN1CC[C@H](O)C1 128169177 343825747 /nfs/dbraw/zinc/82/57/47/343825747.db2.gz IAKCKPLPDOTDRY-NSHDSACASA-N 0 3 192.262 0.957 20 0 ACADHN CC(C)n1cc(CNC[C@H](C)O)cn1 128215955 343826323 /nfs/dbraw/zinc/82/63/23/343826323.db2.gz RWCNMSBSIHPGRT-VIFPVBQESA-N 0 3 197.282 0.934 20 0 ACADHN CC(C)n1cc(CNC[C@@H](C)O)cn1 128234983 343827284 /nfs/dbraw/zinc/82/72/84/343827284.db2.gz RWCNMSBSIHPGRT-SECBINFHSA-N 0 3 197.282 0.934 20 0 ACADHN CCN[C@@H](C)c1cnnn1C 128342988 343829239 /nfs/dbraw/zinc/82/92/39/343829239.db2.gz PCDQUZJXADOKJN-LURJTMIESA-N 0 3 154.217 0.486 20 0 ACADHN CCN[C@H](C)c1cnnn1C 128343186 343829428 /nfs/dbraw/zinc/82/94/28/343829428.db2.gz PCDQUZJXADOKJN-ZCFIWIBFSA-N 0 3 154.217 0.486 20 0 ACADHN CCSCCN(CCO)CCO 128352628 343829556 /nfs/dbraw/zinc/82/95/56/343829556.db2.gz PZHPTKNMNJPHJN-UHFFFAOYSA-N 0 3 193.312 0.026 20 0 ACADHN CSCCCN(CCO)CCO 128352386 343829566 /nfs/dbraw/zinc/82/95/66/343829566.db2.gz AQMJRQAPEWGQMA-UHFFFAOYSA-N 0 3 193.312 0.026 20 0 ACADHN C[C@@H](O)CCN(C)CCn1cccn1 128442392 343831347 /nfs/dbraw/zinc/83/13/47/343831347.db2.gz PHJVZCAUXQSDRD-SNVBAGLBSA-N 0 3 197.282 0.586 20 0 ACADHN C[C@H](O)CCN(C)CCn1cccn1 128442240 343831433 /nfs/dbraw/zinc/83/14/33/343831433.db2.gz PHJVZCAUXQSDRD-JTQLQIEISA-N 0 3 197.282 0.586 20 0 ACADHN C[C@@H](CN(C)C)Nc1ncc(F)cn1 128473724 343831794 /nfs/dbraw/zinc/83/17/94/343831794.db2.gz AVXXFOMRHWRJEI-ZETCQYMHSA-N 0 3 198.245 0.978 20 0 ACADHN CCN(CCCO)CCn1cccn1 128498659 343832934 /nfs/dbraw/zinc/83/29/34/343832934.db2.gz KYWJISPZRTXFQQ-UHFFFAOYSA-N 0 3 197.282 0.587 20 0 ACADHN C[C@H]1CCN[C@@H](c2cnnn2C)C1 128822375 343837888 /nfs/dbraw/zinc/83/78/88/343837888.db2.gz LRHDCCPPNZTASX-JGVFFNPUSA-N 0 3 180.255 0.876 20 0 ACADHN C[C@@H]1CCN[C@H](c2cnnn2C)C1 128821727 343837902 /nfs/dbraw/zinc/83/79/02/343837902.db2.gz LRHDCCPPNZTASX-SFYZADRCSA-N 0 3 180.255 0.876 20 0 ACADHN Cn1nncc1[C@@H]1CCCCN1 128810147 343837926 /nfs/dbraw/zinc/83/79/26/343837926.db2.gz XOHXMDVSTPKMBX-ZETCQYMHSA-N 0 3 166.228 0.630 20 0 ACADHN C[C@H]1CCN[C@H](c2cnnn2C)C1 128821948 343838127 /nfs/dbraw/zinc/83/81/27/343838127.db2.gz LRHDCCPPNZTASX-YUMQZZPRSA-N 0 3 180.255 0.876 20 0 ACADHN C[C@@H]1CCN[C@@H](c2cnnn2C)C1 128822163 343838175 /nfs/dbraw/zinc/83/81/75/343838175.db2.gz LRHDCCPPNZTASX-HTQZYQBOSA-N 0 3 180.255 0.876 20 0 ACADHN Cn1nncc1[C@H]1CCCCN1 128810376 343838242 /nfs/dbraw/zinc/83/82/42/343838242.db2.gz XOHXMDVSTPKMBX-SSDOTTSWSA-N 0 3 166.228 0.630 20 0 ACADHN C[C@H]1CC[C@@H](NC(=O)[C@@H](C)N)C1 129025135 343842532 /nfs/dbraw/zinc/84/25/32/343842532.db2.gz SPSKULITYHEDCS-XLPZGREQSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@@H]1CC[C@@H](NC(=O)[C@@H](C)N)C1 129024884 343842539 /nfs/dbraw/zinc/84/25/39/343842539.db2.gz SPSKULITYHEDCS-BWZBUEFSSA-N 0 3 170.256 0.638 20 0 ACADHN CO[C@H](CN)c1cn(C)nc1C 129023850 343842569 /nfs/dbraw/zinc/84/25/69/343842569.db2.gz RQHYBXBHHBYURL-MRVPVSSYSA-N 0 3 169.228 0.375 20 0 ACADHN C[C@H]1CC[C@H](NC(=O)[C@@H](C)N)C1 129024677 343842596 /nfs/dbraw/zinc/84/25/96/343842596.db2.gz SPSKULITYHEDCS-RNJXMRFFSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@@H]1CC[C@H](NC(=O)C2(N)CC2)C1 129008040 343842602 /nfs/dbraw/zinc/84/26/02/343842602.db2.gz QYOVPDRXYBQHDT-SFYZADRCSA-N 0 3 182.267 0.783 20 0 ACADHN C[C@@H]1CC[C@@H](NC(=O)C2(N)CC2)C1 129008453 343842654 /nfs/dbraw/zinc/84/26/54/343842654.db2.gz QYOVPDRXYBQHDT-HTQZYQBOSA-N 0 3 182.267 0.783 20 0 ACADHN C[C@H]1CC[C@@H](NC(=O)CN)C1 129026027 343842693 /nfs/dbraw/zinc/84/26/93/343842693.db2.gz BWYTVWIHTLCPOW-NKWVEPMBSA-N 0 3 156.229 0.250 20 0 ACADHN C[C@@H]1CC[C@H](NC(=O)[C@@H](C)N)C1 129024470 343842702 /nfs/dbraw/zinc/84/27/02/343842702.db2.gz SPSKULITYHEDCS-PRJMDXOYSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@H]1CC[C@@H](NC(=O)C2(N)CC2)C1 129008672 343842740 /nfs/dbraw/zinc/84/27/40/343842740.db2.gz QYOVPDRXYBQHDT-JGVFFNPUSA-N 0 3 182.267 0.783 20 0 ACADHN CO[C@@H](CN)c1cn(C)nc1C 129024064 343842755 /nfs/dbraw/zinc/84/27/55/343842755.db2.gz RQHYBXBHHBYURL-QMMMGPOBSA-N 0 3 169.228 0.375 20 0 ACADHN C[C@@H]1CC[C@@H](NC(=O)CN)C1 129025812 343842826 /nfs/dbraw/zinc/84/28/26/343842826.db2.gz BWYTVWIHTLCPOW-RNFRBKRXSA-N 0 3 156.229 0.250 20 0 ACADHN C[C@H]1CC[C@H](NC(=O)CN)C1 129025578 343842842 /nfs/dbraw/zinc/84/28/42/343842842.db2.gz BWYTVWIHTLCPOW-BQBZGAKWSA-N 0 3 156.229 0.250 20 0 ACADHN C[C@H]1CC[C@H](NC(=O)C2(N)CC2)C1 129008272 343842849 /nfs/dbraw/zinc/84/28/49/343842849.db2.gz QYOVPDRXYBQHDT-YUMQZZPRSA-N 0 3 182.267 0.783 20 0 ACADHN C[C@H]1CC[C@@H](NC(=O)[C@H](C)N)C1 129057154 343843824 /nfs/dbraw/zinc/84/38/24/343843824.db2.gz SPSKULITYHEDCS-BIIVOSGPSA-N 0 3 170.256 0.638 20 0 ACADHN CNCC(=O)Nc1cc(C(C)C)[nH]n1 129148097 343844974 /nfs/dbraw/zinc/84/49/74/343844974.db2.gz AZAGTOXOOTWPEQ-UHFFFAOYSA-N 0 3 196.254 0.691 20 0 ACADHN CC(C)c1cc(NC(=O)[C@H](C)N)n[nH]1 129147418 343845047 /nfs/dbraw/zinc/84/50/47/343845047.db2.gz GGTJEYNTNYDALT-LURJTMIESA-N 0 3 196.254 0.819 20 0 ACADHN CC(C)c1cc(NC(=O)[C@@H](C)N)n[nH]1 129148788 343845128 /nfs/dbraw/zinc/84/51/28/343845128.db2.gz GGTJEYNTNYDALT-ZCFIWIBFSA-N 0 3 196.254 0.819 20 0 ACADHN CC[C@@H]1CN(CCO)CCS1 129167241 343845610 /nfs/dbraw/zinc/84/56/10/343845610.db2.gz MOFHVXVZSBGPMG-MRVPVSSYSA-N 0 3 175.297 0.806 20 0 ACADHN CC[C@H]1CN(CCO)CCS1 129167476 343845622 /nfs/dbraw/zinc/84/56/22/343845622.db2.gz MOFHVXVZSBGPMG-QMMMGPOBSA-N 0 3 175.297 0.806 20 0 ACADHN Cc1[nH]nc(NC(=O)C(C)(C)N)c1C 129200294 343846026 /nfs/dbraw/zinc/84/60/26/343846026.db2.gz JKOGJGHSHFTKNM-UHFFFAOYSA-N 0 3 196.254 0.702 20 0 ACADHN C[C@@H]([NH3+])CC(=O)Nc1ncccc1[O-] 129431735 343850193 /nfs/dbraw/zinc/85/01/93/343850193.db2.gz LRDTWZJPTHCFCE-ZCFIWIBFSA-N 0 3 195.222 0.463 20 0 ACADHN CC(C)NCc1cnnn1C 129682560 343854680 /nfs/dbraw/zinc/85/46/80/343854680.db2.gz JWUVZVOUWVXYCW-UHFFFAOYSA-N 0 3 154.217 0.313 20 0 ACADHN Cn1nncc1CN[C@@H]1CCCOC1 129754721 343855945 /nfs/dbraw/zinc/85/59/45/343855945.db2.gz NBMXVVBFLSGCAF-MRVPVSSYSA-N 0 3 196.254 0.084 20 0 ACADHN Cn1nncc1CN[C@H]1CCCOC1 129754950 343856004 /nfs/dbraw/zinc/85/60/04/343856004.db2.gz NBMXVVBFLSGCAF-QMMMGPOBSA-N 0 3 196.254 0.084 20 0 ACADHN CC1CC(NCc2cnnn2C)C1 129792090 343856515 /nfs/dbraw/zinc/85/65/15/343856515.db2.gz JHWOJYVVXJPYKC-UHFFFAOYSA-N 0 3 180.255 0.703 20 0 ACADHN c1cc(COC2CNC2)co1 130107988 343862512 /nfs/dbraw/zinc/86/25/12/343862512.db2.gz OVQKVUTZAZHBHF-UHFFFAOYSA-N 0 3 153.181 0.768 20 0 ACADHN CC(=O)C[C@H]1COC[C@H](C)N1 130331203 343866775 /nfs/dbraw/zinc/86/67/75/343866775.db2.gz VLRUELXHYKNSTQ-XPUUQOCRSA-N 0 3 157.213 0.342 20 0 ACADHN CC(=O)C[C@H]1COC[C@@H](C)N1 130331006 343866792 /nfs/dbraw/zinc/86/67/92/343866792.db2.gz VLRUELXHYKNSTQ-SVRRBLITSA-N 0 3 157.213 0.342 20 0 ACADHN CC(=O)C[C@@H]1COC[C@@H](C)N1 130331420 343866984 /nfs/dbraw/zinc/86/69/84/343866984.db2.gz VLRUELXHYKNSTQ-HTRCEHHLSA-N 0 3 157.213 0.342 20 0 ACADHN CC(=O)C[C@@H]1COC[C@H](C)N1 130331628 343867051 /nfs/dbraw/zinc/86/70/51/343867051.db2.gz VLRUELXHYKNSTQ-POYBYMJQSA-N 0 3 157.213 0.342 20 0 ACADHN C[C@@H](CN(C)C)Nc1cnccn1 130625856 343871620 /nfs/dbraw/zinc/87/16/20/343871620.db2.gz ZTJYQWNACNKOLC-QMMMGPOBSA-N 0 3 180.255 0.839 20 0 ACADHN C[C@@H](CN(C)C)Nc1cc(F)ncn1 130661593 343872126 /nfs/dbraw/zinc/87/21/26/343872126.db2.gz WUFPCRYSLBMHEW-ZETCQYMHSA-N 0 3 198.245 0.978 20 0 ACADHN C[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]2C1 130730952 343873864 /nfs/dbraw/zinc/87/38/64/343873864.db2.gz QTTOFCVYXBEPTM-CIUDSAMLSA-N 0 3 182.267 0.592 20 0 ACADHN C[C@H](N)C(=O)N1C[C@H]2CCC[C@H]2C1 130730522 343873895 /nfs/dbraw/zinc/87/38/95/343873895.db2.gz QTTOFCVYXBEPTM-XHNCKOQMSA-N 0 3 182.267 0.592 20 0 ACADHN C[C@@H](N)C(=O)N1C[C@H]2CCC[C@@H]2C1 130732088 343873921 /nfs/dbraw/zinc/87/39/21/343873921.db2.gz QTTOFCVYXBEPTM-IWSPIJDZSA-N 0 3 182.267 0.592 20 0 ACADHN C[C@H](N)C(=O)N1C[C@H]2CCC[C@@H]2C1 130730725 343874000 /nfs/dbraw/zinc/87/40/00/343874000.db2.gz QTTOFCVYXBEPTM-DJLDLDEBSA-N 0 3 182.267 0.592 20 0 ACADHN C[C@@H](N)C(=O)N1C[C@H]2CCC[C@H]2C1 130731862 343874059 /nfs/dbraw/zinc/87/40/59/343874059.db2.gz QTTOFCVYXBEPTM-HLTSFMKQSA-N 0 3 182.267 0.592 20 0 ACADHN C[C@@H](N)C(=O)N1C[C@@H]2CCC[C@H]2C1 130732286 343874081 /nfs/dbraw/zinc/87/40/81/343874081.db2.gz QTTOFCVYXBEPTM-VGMNWLOBSA-N 0 3 182.267 0.592 20 0 ACADHN CCN1CCC[C@@H](N2CCNC2=O)C1 131417870 343885363 /nfs/dbraw/zinc/88/53/63/343885363.db2.gz DCZNERIOERYORM-SECBINFHSA-N 0 3 197.282 0.496 20 0 ACADHN CCN1CCC[C@H](N2CCNC2=O)C1 131417660 343885470 /nfs/dbraw/zinc/88/54/70/343885470.db2.gz DCZNERIOERYORM-VIFPVBQESA-N 0 3 197.282 0.496 20 0 ACADHN Cc1nsc(NC(=O)[C@H](C)N)n1 131800478 343888826 /nfs/dbraw/zinc/88/88/26/343888826.db2.gz DPWZMRHRECAJFR-VKHMYHEASA-N 0 3 186.240 0.132 20 0 ACADHN Cc1nsc(NC(=O)[C@@H](C)N)n1 131806751 343888834 /nfs/dbraw/zinc/88/88/34/343888834.db2.gz DPWZMRHRECAJFR-GSVOUGTGSA-N 0 3 186.240 0.132 20 0 ACADHN CNCC(=O)Nc1nc(C)ns1 131792057 343888844 /nfs/dbraw/zinc/88/88/44/343888844.db2.gz CKJOVZGKTDTLSW-UHFFFAOYSA-N 0 3 186.240 0.004 20 0 ACADHN C[C@@H](C(N)=O)N1C[C@H]2CCC[C@H]2C1 132012403 343892150 /nfs/dbraw/zinc/89/21/50/343892150.db2.gz XSZXNNKIURTROC-XHNCKOQMSA-N 0 3 182.267 0.592 20 0 ACADHN C[C@H](C(N)=O)N1C[C@H]2CCC[C@@H]2C1 132013036 343892164 /nfs/dbraw/zinc/89/21/64/343892164.db2.gz XSZXNNKIURTROC-IWSPIJDZSA-N 0 3 182.267 0.592 20 0 ACADHN C[C@H](C(N)=O)N1C[C@H]2CCC[C@H]2C1 132012636 343892232 /nfs/dbraw/zinc/89/22/32/343892232.db2.gz XSZXNNKIURTROC-HLTSFMKQSA-N 0 3 182.267 0.592 20 0 ACADHN COCCc1ncc2c(n1)CCNC2 132203280 343895705 /nfs/dbraw/zinc/89/57/05/343895705.db2.gz PTOHQIYXYWSYLR-UHFFFAOYSA-N 0 3 193.250 0.311 20 0 ACADHN NC1(C(=O)NCC(F)F)CCCC1 132487692 343898771 /nfs/dbraw/zinc/89/87/71/343898771.db2.gz ZMFKVVDSGYUCKW-UHFFFAOYSA-N 0 3 192.209 0.639 20 0 ACADHN CC(C)(N)C(=O)N1C[C@H]2CCC[C@H]2C1 132498975 343898830 /nfs/dbraw/zinc/89/88/30/343898830.db2.gz YAHWLSRZYXDGHY-DTORHVGOSA-N 0 3 196.294 0.982 20 0 ACADHN CC(C)(N)C(=O)NCC(F)F 132486530 343899009 /nfs/dbraw/zinc/89/90/09/343899009.db2.gz HORLMLIAMILLPP-UHFFFAOYSA-N 0 3 166.171 0.105 20 0 ACADHN CC(C)(N)C(=O)N1C[C@@H]2CCC[C@H]2C1 132499377 343899106 /nfs/dbraw/zinc/89/91/06/343899106.db2.gz YAHWLSRZYXDGHY-IUCAKERBSA-N 0 3 196.294 0.982 20 0 ACADHN CC(C)(N)C(=O)N1C[C@H]2CCC[C@@H]2C1 132499193 343899136 /nfs/dbraw/zinc/89/91/36/343899136.db2.gz YAHWLSRZYXDGHY-RKDXNWHRSA-N 0 3 196.294 0.982 20 0 ACADHN NCC(=O)N1C[C@@H]2CCC[C@H]2C1 132500493 343899482 /nfs/dbraw/zinc/89/94/82/343899482.db2.gz ZPONBYIPKYAUIA-YUMQZZPRSA-N 0 3 168.240 0.204 20 0 ACADHN NCC(=O)N1C[C@H]2CCC[C@H]2C1 132500258 343899768 /nfs/dbraw/zinc/89/97/68/343899768.db2.gz ZPONBYIPKYAUIA-OCAPTIKFSA-N 0 3 168.240 0.204 20 0 ACADHN NCC(=O)N1C[C@H]2CCC[C@@H]2C1 132500696 343899777 /nfs/dbraw/zinc/89/97/77/343899777.db2.gz ZPONBYIPKYAUIA-HTQZYQBOSA-N 0 3 168.240 0.204 20 0 ACADHN CN(CCCO)[C@@H]1CCOC1 132814086 343904632 /nfs/dbraw/zinc/90/46/32/343904632.db2.gz FDGZVDPYLDJWHJ-MRVPVSSYSA-N 0 3 159.229 0.090 20 0 ACADHN CN(CCCO)[C@H]1CCOC1 132814307 343904664 /nfs/dbraw/zinc/90/46/64/343904664.db2.gz FDGZVDPYLDJWHJ-QMMMGPOBSA-N 0 3 159.229 0.090 20 0 ACADHN COC(C)(C)CNCc1cnn(C)c1 133016938 343910329 /nfs/dbraw/zinc/91/03/29/343910329.db2.gz PGXCKWGXRHBEAX-UHFFFAOYSA-N 0 3 197.282 0.935 20 0 ACADHN COC(C)(C)CNCc1cncn1C 133029970 343910491 /nfs/dbraw/zinc/91/04/91/343910491.db2.gz PKSUVBKLXYVZNJ-UHFFFAOYSA-N 0 3 197.282 0.935 20 0 ACADHN NC1(C(=O)N2C[C@H]3CCC[C@H]3C2)CC1 133124402 343911860 /nfs/dbraw/zinc/91/18/60/343911860.db2.gz ZAOFZGBBRYIKGW-DTORHVGOSA-N 0 3 194.278 0.736 20 0 ACADHN CNCC(=O)N1C[C@@H]2CCC[C@H]2C1 133130881 343911899 /nfs/dbraw/zinc/91/18/99/343911899.db2.gz YLUPVAHFFVOAOE-IUCAKERBSA-N 0 3 182.267 0.464 20 0 ACADHN CNCC(=O)N1C[C@H]2CCC[C@@H]2C1 133130693 343912035 /nfs/dbraw/zinc/91/20/35/343912035.db2.gz YLUPVAHFFVOAOE-RKDXNWHRSA-N 0 3 182.267 0.464 20 0 ACADHN NC1(C(=O)N2C[C@@H]3CCC[C@H]3C2)CC1 133124615 343912189 /nfs/dbraw/zinc/91/21/89/343912189.db2.gz ZAOFZGBBRYIKGW-IUCAKERBSA-N 0 3 194.278 0.736 20 0 ACADHN C[C@H](O)CCN1C[C@H](C)O[C@H](C)C1 133296602 343915506 /nfs/dbraw/zinc/91/55/06/343915506.db2.gz IHKPKFXZUCFJSY-LPEHRKFASA-N 0 3 187.283 0.867 20 0 ACADHN C[C@@H]1OCC[C@H]1NCCF 133463070 343919133 /nfs/dbraw/zinc/91/91/33/343919133.db2.gz IGROBDDIPQARSG-NKWVEPMBSA-N 0 3 147.193 0.723 20 0 ACADHN C[C@H]1OCC[C@H]1NCCF 133462850 343919257 /nfs/dbraw/zinc/91/92/57/343919257.db2.gz IGROBDDIPQARSG-RNFRBKRXSA-N 0 3 147.193 0.723 20 0 ACADHN C[C@H]1OCC[C@@H]1NCCF 133463285 343919396 /nfs/dbraw/zinc/91/93/96/343919396.db2.gz IGROBDDIPQARSG-RQJHMYQMSA-N 0 3 147.193 0.723 20 0 ACADHN C[C@@H]1OCC[C@@H]1NCCF 133463491 343919439 /nfs/dbraw/zinc/91/94/39/343919439.db2.gz IGROBDDIPQARSG-BQBZGAKWSA-N 0 3 147.193 0.723 20 0 ACADHN C[C@H]1OCC[C@H]1NCc1cnn(C)c1 133994020 343930932 /nfs/dbraw/zinc/93/09/32/343930932.db2.gz VLHRAEOOGSYGTF-PSASIEDQSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@@H]1OCC[C@H]1NCc1cnn(C)c1 133994204 343931079 /nfs/dbraw/zinc/93/10/79/343931079.db2.gz VLHRAEOOGSYGTF-WCBMZHEXSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@H]1OCC[C@@H]1NCc1cnn(C)c1 133994362 343931142 /nfs/dbraw/zinc/93/11/42/343931142.db2.gz VLHRAEOOGSYGTF-SCZZXKLOSA-N 0 3 195.266 0.687 20 0 ACADHN Cc1n[nH]cc1CN[C@@H]1CCO[C@@H]1C 134388628 343941858 /nfs/dbraw/zinc/94/18/58/343941858.db2.gz QIOXLNYYLOIUHC-PSASIEDQSA-N 0 3 195.266 0.985 20 0 ACADHN Cc1n[nH]cc1CN[C@H]1CCO[C@@H]1C 134388650 343941967 /nfs/dbraw/zinc/94/19/67/343941967.db2.gz QIOXLNYYLOIUHC-SCZZXKLOSA-N 0 3 195.266 0.985 20 0 ACADHN C[C@H]1OCC[C@H]1NCc1cncn1C 134529753 343944125 /nfs/dbraw/zinc/94/41/25/343944125.db2.gz JPDSMMWUGFLBMB-PSASIEDQSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@H]1OCC[C@@H]1NCc1cncn1C 134529795 343944143 /nfs/dbraw/zinc/94/41/43/343944143.db2.gz JPDSMMWUGFLBMB-SCZZXKLOSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@@H]1OCC[C@@H]1NCc1cncn1C 134529820 343944406 /nfs/dbraw/zinc/94/44/06/343944406.db2.gz JPDSMMWUGFLBMB-WPRPVWTQSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@@H]1OCC[C@H]1NCc1cncn1C 134529773 343944441 /nfs/dbraw/zinc/94/44/41/343944441.db2.gz JPDSMMWUGFLBMB-WCBMZHEXSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@H]1OCC[C@H]1NC(=O)C(C)(C)N 134548905 343944644 /nfs/dbraw/zinc/94/46/44/343944644.db2.gz HRICEPXBCKCLRS-RNFRBKRXSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H]1OCC[C@@H]1NC(=O)C(C)(C)N 134548944 343944688 /nfs/dbraw/zinc/94/46/88/343944688.db2.gz HRICEPXBCKCLRS-RQJHMYQMSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@@H]1OCC[C@H]1NC(=O)C(C)(C)N 134548928 343944775 /nfs/dbraw/zinc/94/47/75/343944775.db2.gz HRICEPXBCKCLRS-NKWVEPMBSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H]1OCC[C@@H]1NC(=O)C1(N)CCC1 134557116 343944917 /nfs/dbraw/zinc/94/49/17/343944917.db2.gz ZCFHKMCOEDZCDX-SFYZADRCSA-N 0 3 198.266 0.161 20 0 ACADHN C[C@@H]1OCC[C@@H]1NC(=O)C(C)(C)N 134548963 343944970 /nfs/dbraw/zinc/94/49/70/343944970.db2.gz HRICEPXBCKCLRS-BQBZGAKWSA-N 0 3 186.255 0.017 20 0 ACADHN CN(C(=O)C1(N)CCC1)[C@@H]1CCOC1 134692934 343948430 /nfs/dbraw/zinc/94/84/30/343948430.db2.gz ZZQAZBRMOSEQJW-MRVPVSSYSA-N 0 3 198.266 0.115 20 0 ACADHN CN(C(=O)C1(N)CCC1)[C@H]1CCOC1 134692957 343948686 /nfs/dbraw/zinc/94/86/86/343948686.db2.gz ZZQAZBRMOSEQJW-QMMMGPOBSA-N 0 3 198.266 0.115 20 0 ACADHN COCC(C)(C)NCc1cncn1C 135056969 343953742 /nfs/dbraw/zinc/95/37/42/343953742.db2.gz MLUUAOFELDTIKU-UHFFFAOYSA-N 0 3 197.282 0.935 20 0 ACADHN COCC(C)(C)NCC(=O)N(C)C 135059132 343953979 /nfs/dbraw/zinc/95/39/79/343953979.db2.gz MPRHYFGBUZUFNO-UHFFFAOYSA-N 0 3 188.271 0.089 20 0 ACADHN CCNC(=O)CNC(C)(C)COC 135059101 343954002 /nfs/dbraw/zinc/95/40/02/343954002.db2.gz NKXPVEZBLROUGQ-UHFFFAOYSA-N 0 3 188.271 0.137 20 0 ACADHN C[C@@H](C(N)=O)N1CC[C@@H](C)[C@@H](C)C1 135085211 343954196 /nfs/dbraw/zinc/95/41/96/343954196.db2.gz WQGBPUFBQVUDBH-VGMNWLOBSA-N 0 3 184.283 0.838 20 0 ACADHN CC1(C)CN(CCO)CCS1 135071519 343954270 /nfs/dbraw/zinc/95/42/70/343954270.db2.gz LQYLGVBSUREGMT-UHFFFAOYSA-N 0 3 175.297 0.806 20 0 ACADHN CC1(C)CN(C(=O)CN)CCS1 135076400 343954427 /nfs/dbraw/zinc/95/44/27/343954427.db2.gz MVJLWNUZLNICIQ-UHFFFAOYSA-N 0 3 188.296 0.299 20 0 ACADHN C[C@H]1CCN(CC(N)=O)C[C@@H]1C 135085572 343954439 /nfs/dbraw/zinc/95/44/39/343954439.db2.gz GNGFSHGXYBRZME-YUMQZZPRSA-N 0 3 170.256 0.450 20 0 ACADHN C[C@H]1CCN(C(=O)[C@@H](C)N)C[C@H]1C 135095798 343954681 /nfs/dbraw/zinc/95/46/81/343954681.db2.gz LRCJFCAIIXTJFQ-DJLDLDEBSA-N 0 3 184.283 0.838 20 0 ACADHN C[C@@H](N)C(=O)N1CC[C@@H](C)[C@@H](C)C1 135095745 343954718 /nfs/dbraw/zinc/95/47/18/343954718.db2.gz LRCJFCAIIXTJFQ-HRDYMLBCSA-N 0 3 184.283 0.838 20 0 ACADHN C[C@H]1CCN(C(=O)[C@@H](C)N)C[C@@H]1C 135095763 343954893 /nfs/dbraw/zinc/95/48/93/343954893.db2.gz LRCJFCAIIXTJFQ-XHNCKOQMSA-N 0 3 184.283 0.838 20 0 ACADHN O=C1CCOCC1C(=O)C(F)F 135122694 343955379 /nfs/dbraw/zinc/95/53/79/343955379.db2.gz JJKWGUDAERDSME-BYPYZUCNSA-N 0 3 178.134 0.426 20 0 ACADHN CNCC(=O)N1CC[C@H](C)[C@@H](C)C1 135198402 343956988 /nfs/dbraw/zinc/95/69/88/343956988.db2.gz BAAMATVGCFVNGW-IUCAKERBSA-N 0 3 184.283 0.710 20 0 ACADHN C[C@H](N)C(=O)N1CC[C@@H](C)[C@H](C)C1 135198689 343957008 /nfs/dbraw/zinc/95/70/08/343957008.db2.gz LRCJFCAIIXTJFQ-HLTSFMKQSA-N 0 3 184.283 0.838 20 0 ACADHN CNCC(=O)N1CC[C@H](C)[C@H](C)C1 135198444 343957031 /nfs/dbraw/zinc/95/70/31/343957031.db2.gz BAAMATVGCFVNGW-DTWKUNHWSA-N 0 3 184.283 0.710 20 0 ACADHN CNCC(=O)N1CC[C@@H](C)[C@H](C)C1 135198422 343957124 /nfs/dbraw/zinc/95/71/24/343957124.db2.gz BAAMATVGCFVNGW-RKDXNWHRSA-N 0 3 184.283 0.710 20 0 ACADHN C[C@H](N)C(=O)N1CC[C@H](C)[C@H](C)C1 135198706 343957263 /nfs/dbraw/zinc/95/72/63/343957263.db2.gz LRCJFCAIIXTJFQ-YIZRAAEISA-N 0 3 184.283 0.838 20 0 ACADHN C[C@H]1CCN(C(=O)CN)C[C@@H]1C 135198315 343957300 /nfs/dbraw/zinc/95/73/00/343957300.db2.gz STVDBEBUMLLOMQ-YUMQZZPRSA-N 0 3 170.256 0.450 20 0 ACADHN C[C@H]1CCN(C(=O)CN)C[C@H]1C 135198352 343957408 /nfs/dbraw/zinc/95/74/08/343957408.db2.gz STVDBEBUMLLOMQ-JGVFFNPUSA-N 0 3 170.256 0.450 20 0 ACADHN CNCC(=O)N1CC[C@@H](C)[C@@H](C)C1 135198380 343957433 /nfs/dbraw/zinc/95/74/33/343957433.db2.gz BAAMATVGCFVNGW-BDAKNGLRSA-N 0 3 184.283 0.710 20 0 ACADHN C[C@H](N)C(=O)N1CC[C@H](C)[C@@H](C)C1 135198669 343957474 /nfs/dbraw/zinc/95/74/74/343957474.db2.gz LRCJFCAIIXTJFQ-CIUDSAMLSA-N 0 3 184.283 0.838 20 0 ACADHN C[C@H](N)C(=O)N1CC[C@@H](C)[C@@H](C)C1 135198644 343957487 /nfs/dbraw/zinc/95/74/87/343957487.db2.gz LRCJFCAIIXTJFQ-VGMNWLOBSA-N 0 3 184.283 0.838 20 0 ACADHN Cc1ccncc1CNCCO 135437182 343963128 /nfs/dbraw/zinc/96/31/28/343963128.db2.gz MGJRJPOHUHOQGO-UHFFFAOYSA-N 0 3 166.224 0.472 20 0 ACADHN Cc1ccncc1[C@H](N)CC(N)=O 135497924 343964103 /nfs/dbraw/zinc/96/41/03/343964103.db2.gz UPONQTNOCKCEBU-MRVPVSSYSA-N 0 3 179.223 0.265 20 0 ACADHN CCNC(=O)N1CCCN(C)CC1 135737403 343966991 /nfs/dbraw/zinc/96/69/91/343966991.db2.gz LQQXRKDWZWHSIQ-UHFFFAOYSA-N 0 3 185.271 0.353 20 0 ACADHN CCNC(=O)N(C)C1CCN(C)CC1 135727816 343967036 /nfs/dbraw/zinc/96/70/36/343967036.db2.gz CFPHGRZTOKCBJW-UHFFFAOYSA-N 0 3 199.298 0.742 20 0 ACADHN CNC(=S)N1CCCN(C)CC1 135745873 343967127 /nfs/dbraw/zinc/96/71/27/343967127.db2.gz SULRSKIUABFCHP-UHFFFAOYSA-N 0 3 187.312 0.128 20 0 ACADHN CCNC(=O)NCCN1CCCC1 135797810 343968104 /nfs/dbraw/zinc/96/81/04/343968104.db2.gz BTBQRIFIRVQNHH-UHFFFAOYSA-N 0 3 185.271 0.401 20 0 ACADHN CSCCN(C)CCO 135828806 343968620 /nfs/dbraw/zinc/96/86/20/343968620.db2.gz ISHQNYXOYSUGGQ-UHFFFAOYSA-N 0 3 149.259 0.274 20 0 ACADHN CNC(=O)NC1CCN(C)CC1 135849344 343968912 /nfs/dbraw/zinc/96/89/12/343968912.db2.gz SCHUXUBXKBRDDQ-UHFFFAOYSA-N 0 3 171.244 0.010 20 0 ACADHN CNC(=O)N(C)C1CCN(C)CC1 135843725 343968960 /nfs/dbraw/zinc/96/89/60/343968960.db2.gz LOGWQCJWHUXAKI-UHFFFAOYSA-N 0 3 185.271 0.352 20 0 ACADHN CN(C)C(=O)NCCN1CCCC1 135893203 343971181 /nfs/dbraw/zinc/97/11/81/343971181.db2.gz AYPDTCFDSYIMBB-UHFFFAOYSA-N 0 3 185.271 0.353 20 0 ACADHN CCN1CCC(N(C)C(=O)NC)CC1 135909884 343971560 /nfs/dbraw/zinc/97/15/60/343971560.db2.gz FLRFSBWRBMSHQR-UHFFFAOYSA-N 0 3 199.298 0.742 20 0 ACADHN CNC(=S)NC[C@H](C)N(C)C 135954243 343972065 /nfs/dbraw/zinc/97/20/65/343972065.db2.gz XQPNUMGECSLYCQ-LURJTMIESA-N 0 3 175.301 0.030 20 0 ACADHN CNC(=S)NC[C@@H](C)N(C)C 135954286 343972211 /nfs/dbraw/zinc/97/22/11/343972211.db2.gz XQPNUMGECSLYCQ-ZCFIWIBFSA-N 0 3 175.301 0.030 20 0 ACADHN CNC(=O)N[C@H](C)CN1CCCCC1 135962057 343972661 /nfs/dbraw/zinc/97/26/61/343972661.db2.gz QEOVXBLSQWAGRP-SECBINFHSA-N 0 3 199.298 0.790 20 0 ACADHN C[C@@H](CNC(=O)N1CCCC1)N(C)C 135989038 343972711 /nfs/dbraw/zinc/97/27/11/343972711.db2.gz KPWOEEBURDFLMX-VIFPVBQESA-N 0 3 199.298 0.742 20 0 ACADHN CNC(=O)N[C@@H](C)CN1CCCCC1 135962025 343972730 /nfs/dbraw/zinc/97/27/30/343972730.db2.gz QEOVXBLSQWAGRP-VIFPVBQESA-N 0 3 199.298 0.790 20 0 ACADHN CCNC(=O)NC1CCN(C)CC1 136009970 343973509 /nfs/dbraw/zinc/97/35/09/343973509.db2.gz ZIYCHYGXTDVOSB-UHFFFAOYSA-N 0 3 185.271 0.400 20 0 ACADHN CC[C@H]1CC[C@H](C)N1C(=O)CNC 136118932 343974706 /nfs/dbraw/zinc/97/47/06/343974706.db2.gz OCRUMXOKGGUMDF-IUCAKERBSA-N 0 3 184.283 0.995 20 0 ACADHN CC[C@@H]1CC[C@H](C)N1C(=O)CNC 136118893 343974747 /nfs/dbraw/zinc/97/47/47/343974747.db2.gz OCRUMXOKGGUMDF-DTWKUNHWSA-N 0 3 184.283 0.995 20 0 ACADHN CC[C@H]1CC[C@@H](C)N1C(=O)CNC 136119005 343974793 /nfs/dbraw/zinc/97/47/93/343974793.db2.gz OCRUMXOKGGUMDF-BDAKNGLRSA-N 0 3 184.283 0.995 20 0 ACADHN CC[C@@H]1CC[C@@H](C)N1C(=O)CNC 136118963 343974844 /nfs/dbraw/zinc/97/48/44/343974844.db2.gz OCRUMXOKGGUMDF-RKDXNWHRSA-N 0 3 184.283 0.995 20 0 ACADHN CC[C@@H]1CC[C@H](C)N1C(=O)CN 136129979 343975036 /nfs/dbraw/zinc/97/50/36/343975036.db2.gz AQYLSOSBMZINML-JGVFFNPUSA-N 0 3 170.256 0.735 20 0 ACADHN CC[C@H]1CC[C@@H](C)N1C(=O)CN 136130086 343975052 /nfs/dbraw/zinc/97/50/52/343975052.db2.gz AQYLSOSBMZINML-SFYZADRCSA-N 0 3 170.256 0.735 20 0 ACADHN CSCCN(CCO)C1CC1 136134670 343975231 /nfs/dbraw/zinc/97/52/31/343975231.db2.gz FOUCYXXSVRMDKE-UHFFFAOYSA-N 0 3 175.297 0.806 20 0 ACADHN CN(C)C(=O)NCCN1CCCCC1 136127527 343975259 /nfs/dbraw/zinc/97/52/59/343975259.db2.gz NPFWNTWROPNONP-UHFFFAOYSA-N 0 3 199.298 0.744 20 0 ACADHN CC[C@H]1CC[C@H](C)N1C(=O)CN 136130011 343975286 /nfs/dbraw/zinc/97/52/86/343975286.db2.gz AQYLSOSBMZINML-YUMQZZPRSA-N 0 3 170.256 0.735 20 0 ACADHN CC[C@@H]1CC[C@@H](C)N1C(=O)CN 136130045 343975433 /nfs/dbraw/zinc/97/54/33/343975433.db2.gz AQYLSOSBMZINML-HTQZYQBOSA-N 0 3 170.256 0.735 20 0 ACADHN CCCCNC(=O)N[C@H]1CCN(C)C1 136172124 343976097 /nfs/dbraw/zinc/97/60/97/343976097.db2.gz FFORUWYJGRYUFJ-VIFPVBQESA-N 0 3 199.298 0.790 20 0 ACADHN CCNC(=S)N[C@H]1CCN(C)C1 136166694 343976185 /nfs/dbraw/zinc/97/61/85/343976185.db2.gz MSCWXNJVGOUTAU-ZETCQYMHSA-N 0 3 187.312 0.175 20 0 ACADHN CN1CC[C@H](NC(=S)NC2CC2)C1 136167170 343976271 /nfs/dbraw/zinc/97/62/71/343976271.db2.gz OXFABRPONRCESK-QMMMGPOBSA-N 0 3 199.323 0.317 20 0 ACADHN CN1CC[C@@H](NC(=S)NC2CC2)C1 136167203 343976295 /nfs/dbraw/zinc/97/62/95/343976295.db2.gz OXFABRPONRCESK-MRVPVSSYSA-N 0 3 199.323 0.317 20 0 ACADHN CCNC(=S)N[C@@H]1CCN(C)C1 136166653 343976310 /nfs/dbraw/zinc/97/63/10/343976310.db2.gz MSCWXNJVGOUTAU-SSDOTTSWSA-N 0 3 187.312 0.175 20 0 ACADHN CCCCNC(=O)N[C@@H]1CCN(C)C1 136172089 343976315 /nfs/dbraw/zinc/97/63/15/343976315.db2.gz FFORUWYJGRYUFJ-SECBINFHSA-N 0 3 199.298 0.790 20 0 ACADHN CNC(=O)N[C@H]1CCN(C2CC2)C1 136224357 343977533 /nfs/dbraw/zinc/97/75/33/343977533.db2.gz HTVJMASCFXDONC-ZETCQYMHSA-N 0 3 183.255 0.152 20 0 ACADHN CNC(=S)N[C@H]1CCN(C2CC2)C1 136263221 343978602 /nfs/dbraw/zinc/97/86/02/343978602.db2.gz JZBONUUYUASIHX-ZETCQYMHSA-N 0 3 199.323 0.317 20 0 ACADHN CN(CCNC(=O)NC1CC1)C1CC1 136281195 343978951 /nfs/dbraw/zinc/97/89/51/343978951.db2.gz PATCCSLXQKVTQX-UHFFFAOYSA-N 0 3 197.282 0.542 20 0 ACADHN CN(C)C(=O)NCCN(C)C1CC1 136281284 343979045 /nfs/dbraw/zinc/97/90/45/343979045.db2.gz CQMXPLCUELCVEM-UHFFFAOYSA-N 0 3 185.271 0.352 20 0 ACADHN CCNC(=O)N[C@@H]1CCN(C2CC2)C1 136354863 343980260 /nfs/dbraw/zinc/98/02/60/343980260.db2.gz QAKNOCVJKMWLRF-MRVPVSSYSA-N 0 3 197.282 0.542 20 0 ACADHN CCN(CCCO)Cc1cnn(C)c1 136410942 343981155 /nfs/dbraw/zinc/98/11/55/343981155.db2.gz IQKIQTTVWQFMFM-UHFFFAOYSA-N 0 3 197.282 0.624 20 0 ACADHN CCN1CCOC[C@H]1C 137448486 343985754 /nfs/dbraw/zinc/98/57/54/343985754.db2.gz IOGIANODWAVOKV-SSDOTTSWSA-N 0 3 129.203 0.727 20 0 ACADHN CCN1CCOC[C@@H]1C 137448405 343986079 /nfs/dbraw/zinc/98/60/79/343986079.db2.gz IOGIANODWAVOKV-ZETCQYMHSA-N 0 3 129.203 0.727 20 0 ACADHN O=C(NCC1CC1)N1CCCNCC1 137544090 343986268 /nfs/dbraw/zinc/98/62/68/343986268.db2.gz YVIQLNHJFNSZBX-UHFFFAOYSA-N 0 3 197.282 0.401 20 0 ACADHN CC(C)OC(=O)C1CCN(C)C1=O 139208509 343993490 /nfs/dbraw/zinc/99/34/90/343993490.db2.gz WJXRPMIPNXOJRE-SSDOTTSWSA-N 0 3 185.223 0.416 20 0 ACADHN CC(C)OC(=O)C1CCN(C)C1=O 139208613 343993848 /nfs/dbraw/zinc/99/38/48/343993848.db2.gz WJXRPMIPNXOJRE-ZETCQYMHSA-N 0 3 185.223 0.416 20 0 ACADHN CCCNC(=O)[C@H](C)N1CCCC1 140351053 343999546 /nfs/dbraw/zinc/99/95/46/343999546.db2.gz QVYJVEOTRJSXSS-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CCCNC(=O)[C@@H](C)N1CCCC1 140350886 343999628 /nfs/dbraw/zinc/99/96/28/343999628.db2.gz QVYJVEOTRJSXSS-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CN1CCN(CC[C@H]2CCOC2)CC1 140855968 344002033 /nfs/dbraw/zinc/00/20/33/344002033.db2.gz NDBHSNDQIYEQKS-NSHDSACASA-N 0 3 198.310 0.660 20 0 ACADHN CN1CCN(CC[C@@H]2CCOC2)CC1 140855803 344002153 /nfs/dbraw/zinc/00/21/53/344002153.db2.gz NDBHSNDQIYEQKS-LLVKDONJSA-N 0 3 198.310 0.660 20 0 ACADHN CNC(=O)CN1CCC(C)(C)CC1 141273944 344004405 /nfs/dbraw/zinc/00/44/05/344004405.db2.gz ROOPVOJHBBBNNU-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CCOCCCN1CCN(C)CC1 141285293 344004420 /nfs/dbraw/zinc/00/44/20/344004420.db2.gz XMMKWXXIIRRDPE-UHFFFAOYSA-N 0 3 186.299 0.660 20 0 ACADHN CC(=O)N1CCCN(C(C)C)CC1 141435506 344005618 /nfs/dbraw/zinc/00/56/18/344005618.db2.gz NVYKEVROUQAMTC-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN CNC(=O)CCN1CCSCC1 141554330 344007016 /nfs/dbraw/zinc/00/70/16/344007016.db2.gz ZLCGJYJSHTZMOX-UHFFFAOYSA-N 0 3 188.296 0.171 20 0 ACADHN Cc1nnc(NCCN(C)C)nc1C 141648788 344007123 /nfs/dbraw/zinc/00/71/23/344007123.db2.gz LEFRVIWWQWFOMY-UHFFFAOYSA-N 0 3 195.270 0.462 20 0 ACADHN CCN1CCN(C)C[C@H]1C 142164907 344010853 /nfs/dbraw/zinc/01/08/53/344010853.db2.gz UFOZYPFQCJEYTP-MRVPVSSYSA-N 0 3 142.246 0.642 20 0 ACADHN CC(=O)C1(N)CCC1 142701968 344013928 /nfs/dbraw/zinc/01/39/28/344013928.db2.gz SCRXLLZZBGAUNU-UHFFFAOYSA-N 0 3 113.160 0.457 20 0 ACADHN CCNC(=O)NC1CCN(CC)CC1 143067911 344016861 /nfs/dbraw/zinc/01/68/61/344016861.db2.gz QVZBSHWJXCAYLR-UHFFFAOYSA-N 0 3 199.298 0.790 20 0 ACADHN CCC(=O)N1CCCN(CC)CC1 143414287 344018797 /nfs/dbraw/zinc/01/87/97/344018797.db2.gz WLMRZIBKACAWRF-UHFFFAOYSA-N 0 3 184.283 0.951 20 0 ACADHN CCN1CCCN(C(N)=O)CC1 143734989 344021393 /nfs/dbraw/zinc/02/13/93/344021393.db2.gz DNIMALNVKDVDOC-UHFFFAOYSA-N 0 3 171.244 0.093 20 0 ACADHN CCN(CC(N)=O)C1CCC1 143718491 344021555 /nfs/dbraw/zinc/02/15/55/344021555.db2.gz HZJNHRVCWRBBLO-UHFFFAOYSA-N 0 3 156.229 0.346 20 0 ACADHN CC[C@@H](C)Nc1nc(N)nc(N)n1 143932456 344023288 /nfs/dbraw/zinc/02/32/88/344023288.db2.gz XVJHKFXTUAHQAX-SCSAIBSYSA-N 0 3 182.231 0.246 20 0 ACADHN CC[C@H](C)Nc1nc(N)nc(N)n1 143932644 344023504 /nfs/dbraw/zinc/02/35/04/344023504.db2.gz XVJHKFXTUAHQAX-BYPYZUCNSA-N 0 3 182.231 0.246 20 0 ACADHN CC[C@@H](O)CN1CCC1 144052580 344024223 /nfs/dbraw/zinc/02/42/23/344024223.db2.gz OWKUQAFMGZPDQI-SSDOTTSWSA-N 0 3 129.203 0.463 20 0 ACADHN NC(=O)[C@@H]1CCCN1C1CC1 144331461 344026220 /nfs/dbraw/zinc/02/62/20/344026220.db2.gz CILKYNQGRQEHAB-ZETCQYMHSA-N 0 3 154.213 0.099 20 0 ACADHN CC(C)N1CCN2C(=O)CC[C@@H]2C1 144387304 344026509 /nfs/dbraw/zinc/02/65/09/344026509.db2.gz IZJRQGYZUFHBHV-SECBINFHSA-N 0 3 182.267 0.701 20 0 ACADHN CCN1CC[C@H](N(CC)C(C)=O)C1 144414383 344026738 /nfs/dbraw/zinc/02/67/38/344026738.db2.gz BZQUJMBFLPCNPR-JTQLQIEISA-N 0 3 184.283 0.949 20 0 ACADHN CCN1CC[C@@H](N(CC)C(C)=O)C1 144414179 344026763 /nfs/dbraw/zinc/02/67/63/344026763.db2.gz BZQUJMBFLPCNPR-SNVBAGLBSA-N 0 3 184.283 0.949 20 0 ACADHN CCNC(=O)[C@@H]1CCCN1C 144466756 344027189 /nfs/dbraw/zinc/02/71/89/344027189.db2.gz WZPIJWRQBGULAJ-ZETCQYMHSA-N 0 3 156.229 0.217 20 0 ACADHN CCN1CCC2(C1)OCCO2 144891040 344030162 /nfs/dbraw/zinc/03/01/62/344030162.db2.gz HGCNPLDIMMUEDJ-UHFFFAOYSA-N 0 3 157.213 0.455 20 0 ACADHN CC(=O)C1(N)CCOCC1 145036813 344030792 /nfs/dbraw/zinc/03/07/92/344030792.db2.gz OYDNAWBMOQRKFY-UHFFFAOYSA-N 0 3 143.186 0.083 20 0 ACADHN CC(=O)Nc1cnc2c(c1)CNCC2 145644661 344035172 /nfs/dbraw/zinc/03/51/72/344035172.db2.gz VIJYGDIMUZVWOM-UHFFFAOYSA-N 0 3 191.234 0.686 20 0 ACADHN c1cnc(N2CCN3CC[C@H]2C3)cn1 145793619 344036205 /nfs/dbraw/zinc/03/62/05/344036205.db2.gz TVZNQVUXEBUBQC-VIFPVBQESA-N 0 3 190.250 0.371 20 0 ACADHN C[C@@H]1CN(CCN2CCCC2)CCO1 146083254 344038171 /nfs/dbraw/zinc/03/81/71/344038171.db2.gz IWLKQJGGIMLJRR-LLVKDONJSA-N 0 3 198.310 0.803 20 0 ACADHN C[C@H]1CN(CCN2CCCC2)CCO1 146083471 344038180 /nfs/dbraw/zinc/03/81/80/344038180.db2.gz IWLKQJGGIMLJRR-NSHDSACASA-N 0 3 198.310 0.803 20 0 ACADHN C[C@@H]1CC[C@@H](CN2CCN(C)CC2)O1 146165932 344039319 /nfs/dbraw/zinc/03/93/19/344039319.db2.gz IBEOKYHIAMOOIV-MNOVXSKESA-N 0 3 198.310 0.801 20 0 ACADHN C[C@@H]1CC[C@H](CN2CCN(C)CC2)O1 146166340 344039365 /nfs/dbraw/zinc/03/93/65/344039365.db2.gz IBEOKYHIAMOOIV-GHMZBOCLSA-N 0 3 198.310 0.801 20 0 ACADHN C[C@H]1CC[C@@H](CN2CCN(C)CC2)O1 146166138 344039520 /nfs/dbraw/zinc/03/95/20/344039520.db2.gz IBEOKYHIAMOOIV-QWRGUYRKSA-N 0 3 198.310 0.801 20 0 ACADHN C[C@H]1CC[C@H](CN2CCN(C)CC2)O1 146166543 344039568 /nfs/dbraw/zinc/03/95/68/344039568.db2.gz IBEOKYHIAMOOIV-WDEREUQCSA-N 0 3 198.310 0.801 20 0 ACADHN CC(=O)NCCN1CC=CCC1 146482550 344041029 /nfs/dbraw/zinc/04/10/29/344041029.db2.gz OJUQZPHRBPAEEZ-UHFFFAOYSA-N 0 3 168.240 0.384 20 0 ACADHN CCN1CCCN(C(C)=O)CC1 147361500 344043594 /nfs/dbraw/zinc/04/35/94/344043594.db2.gz ZXXBOICVGDBUHD-UHFFFAOYSA-N 0 3 170.256 0.561 20 0 ACADHN NC1(C(=O)NCC(F)F)CCC1 147672236 344044928 /nfs/dbraw/zinc/04/49/28/344044928.db2.gz DASVUUCYBJOXRY-UHFFFAOYSA-N 0 3 178.182 0.249 20 0 ACADHN CCN1CCC[C@H]1C(=O)NC1CC1 147718759 344045092 /nfs/dbraw/zinc/04/50/92/344045092.db2.gz AJKPJBKSOMBQAW-VIFPVBQESA-N 0 3 182.267 0.749 20 0 ACADHN C[C@@H](C(=O)N1CCCNCC1)C1CC1 147982684 344046234 /nfs/dbraw/zinc/04/62/34/344046234.db2.gz CPNSVGHIBDSSMC-SECBINFHSA-N 0 3 196.294 0.854 20 0 ACADHN C[C@H](C(=O)N1CCCNCC1)C1CC1 147982455 344046248 /nfs/dbraw/zinc/04/62/48/344046248.db2.gz CPNSVGHIBDSSMC-VIFPVBQESA-N 0 3 196.294 0.854 20 0 ACADHN CC1(C)CN(C(=O)CC2CC2)CCN1 148074420 344047372 /nfs/dbraw/zinc/04/73/72/344047372.db2.gz DZAIELKDWAZHKZ-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN C[C@H]1C[C@@H]1C(=O)N1CCNC(C)(C)C1 148071852 344047620 /nfs/dbraw/zinc/04/76/20/344047620.db2.gz RZIDDKIDSMPFKM-IUCAKERBSA-N 0 3 196.294 0.853 20 0 ACADHN CO[C@@H](C)CN1CCN(C)CC1 149067887 344061918 /nfs/dbraw/zinc/06/19/18/344061918.db2.gz NCJKTQYQAPNWCC-VIFPVBQESA-N 0 3 172.272 0.269 20 0 ACADHN CCCCCNc1nc(N)nc(N)n1 148332552 344053148 /nfs/dbraw/zinc/05/31/48/344053148.db2.gz ASQVOYNSNGJZKD-UHFFFAOYSA-N 0 3 196.258 0.638 20 0 ACADHN CC(C)N1CCN(c2ncc[nH]2)CC1 148555473 344055748 /nfs/dbraw/zinc/05/57/48/344055748.db2.gz NMHMUUUZVCLXQM-UHFFFAOYSA-N 0 3 194.282 0.940 20 0 ACADHN CC(=O)N(C)C[C@@H]1CCCN(C)C1 148638329 344056954 /nfs/dbraw/zinc/05/69/54/344056954.db2.gz WIKSCKNOTKJXLZ-SNVBAGLBSA-N 0 3 184.283 0.807 20 0 ACADHN CC(=O)N(C)C[C@H]1CCCN(C)C1 148638563 344057029 /nfs/dbraw/zinc/05/70/29/344057029.db2.gz WIKSCKNOTKJXLZ-JTQLQIEISA-N 0 3 184.283 0.807 20 0 ACADHN CCNC(=O)[C@H]1CCCN1C 148716232 344057709 /nfs/dbraw/zinc/05/77/09/344057709.db2.gz WZPIJWRQBGULAJ-SSDOTTSWSA-N 0 3 156.229 0.217 20 0 ACADHN CN1CCN(CCCF)CC1 148701168 344057777 /nfs/dbraw/zinc/05/77/77/344057777.db2.gz GTYJHOCBLVJHRE-UHFFFAOYSA-N 0 3 160.236 0.593 20 0 ACADHN CC(=O)N1CCCC[C@@H]1CN(C)C 148859591 344059584 /nfs/dbraw/zinc/05/95/84/344059584.db2.gz DOSGERLHMFSUQS-SNVBAGLBSA-N 0 3 184.283 0.949 20 0 ACADHN CC(=O)N1CCCC[C@H]1CN(C)C 148859816 344059984 /nfs/dbraw/zinc/05/99/84/344059984.db2.gz DOSGERLHMFSUQS-JTQLQIEISA-N 0 3 184.283 0.949 20 0 ACADHN CO[C@H](C)CN1CCN(C)CC1 149067989 344061911 /nfs/dbraw/zinc/06/19/11/344061911.db2.gz NCJKTQYQAPNWCC-SECBINFHSA-N 0 3 172.272 0.269 20 0 ACADHN CC(C)C(=O)[C@@H](N)C1CC1 149153430 344062934 /nfs/dbraw/zinc/06/29/34/344062934.db2.gz WPZFCHWWQIFYBV-ZETCQYMHSA-N 0 3 141.214 0.949 20 0 ACADHN CCC(=O)C1(N)CCC1 149273950 344063682 /nfs/dbraw/zinc/06/36/82/344063682.db2.gz TVAPGKRIUMBIMW-UHFFFAOYSA-N 0 3 127.187 0.847 20 0 ACADHN COC(=O)c1ccc(C2(N)CC2)nc1 149307283 344063842 /nfs/dbraw/zinc/06/38/42/344063842.db2.gz QAWLOHWWIRGDCJ-UHFFFAOYSA-N 0 3 192.218 0.816 20 0 ACADHN CNC(=O)CN1[C@@H](C)CCC[C@H]1C 149486435 344066728 /nfs/dbraw/zinc/06/67/28/344066728.db2.gz IFWJZECJHRBYIP-DTORHVGOSA-N 0 3 184.283 0.995 20 0 ACADHN CNC(=O)CN1[C@H](C)CCC[C@H]1C 149486649 344066540 /nfs/dbraw/zinc/06/65/40/344066540.db2.gz IFWJZECJHRBYIP-RKDXNWHRSA-N 0 3 184.283 0.995 20 0 ACADHN CNC(=O)CN1[C@@H](C)CCC[C@@H]1C 149486231 344066570 /nfs/dbraw/zinc/06/65/70/344066570.db2.gz IFWJZECJHRBYIP-IUCAKERBSA-N 0 3 184.283 0.995 20 0 ACADHN COCCN(C)CCSC 149707276 344070175 /nfs/dbraw/zinc/07/01/75/344070175.db2.gz PDSNLDBDKSGSER-UHFFFAOYSA-N 0 3 163.286 0.928 20 0 ACADHN C[C@@H](CNc1cc(F)ncn1)N(C)C 150056139 344076000 /nfs/dbraw/zinc/07/60/00/344076000.db2.gz NEFIYRVMRSDFIV-ZETCQYMHSA-N 0 3 198.245 0.978 20 0 ACADHN C[C@H](CNc1cc(F)ncn1)N(C)C 150056354 344076121 /nfs/dbraw/zinc/07/61/21/344076121.db2.gz NEFIYRVMRSDFIV-SSDOTTSWSA-N 0 3 198.245 0.978 20 0 ACADHN CCN1CCc2c[nH]nc2C1 150280462 344079342 /nfs/dbraw/zinc/07/93/42/344079342.db2.gz KAIXFHUUVAJXDQ-UHFFFAOYSA-N 0 3 151.213 0.788 20 0 ACADHN CCN(CC)CCCS(N)(=O)=O 156121921 344080980 /nfs/dbraw/zinc/08/09/80/344080980.db2.gz OJWFHEZGZIMVRZ-UHFFFAOYSA-N 0 3 194.300 0.007 20 0 ACADHN CCCN(C)CCCS(N)(=O)=O 156139684 344081096 /nfs/dbraw/zinc/08/10/96/344081096.db2.gz YTMAUTMZCDAAGP-UHFFFAOYSA-N 0 3 194.300 0.007 20 0 ACADHN CN(CCO)CCOC(C)(C)C 156118865 344081340 /nfs/dbraw/zinc/08/13/40/344081340.db2.gz KVDAUWBZPUCDNX-UHFFFAOYSA-N 0 3 175.272 0.726 20 0 ACADHN CSCCN(C)CCCO 156195233 344081662 /nfs/dbraw/zinc/08/16/62/344081662.db2.gz NZUAAGCTBYXLLU-UHFFFAOYSA-N 0 3 163.286 0.664 20 0 ACADHN CSCCN(C)CCOCCO 156196005 344081972 /nfs/dbraw/zinc/08/19/72/344081972.db2.gz DDSBZVQEOZNHNJ-UHFFFAOYSA-N 0 3 193.312 0.290 20 0 ACADHN C[C@@H]1SCCN(C(=O)CN)[C@@H]1C 157704297 344112449 /nfs/dbraw/zinc/11/24/49/344112449.db2.gz ZAVGFPRSEDPAGW-RQJHMYQMSA-N 0 3 188.296 0.298 20 0 ACADHN CC(=O)CN1C[C@H]2[C@@H](O)CC[C@H]2C1 156487826 344088858 /nfs/dbraw/zinc/08/88/58/344088858.db2.gz OGCBSGADRIWECP-AEJSXWLSSA-N 0 3 183.251 0.278 20 0 ACADHN C[C@H](O)CN(C)[C@H]1CCOC1 156564495 344090913 /nfs/dbraw/zinc/09/09/13/344090913.db2.gz ZDCQETWFVVCJBL-YUMQZZPRSA-N 0 3 159.229 0.088 20 0 ACADHN NC[C@@H](O)c1ccc(F)cn1 156602770 344092242 /nfs/dbraw/zinc/09/22/42/344092242.db2.gz LUYKVBUZMTURMY-SSDOTTSWSA-N 0 3 156.160 0.213 20 0 ACADHN NC[C@H](O)c1ccc(F)cn1 156602884 344092295 /nfs/dbraw/zinc/09/22/95/344092295.db2.gz LUYKVBUZMTURMY-ZETCQYMHSA-N 0 3 156.160 0.213 20 0 ACADHN CNCC(=O)N[C@H](C)CSC 158432646 344127191 /nfs/dbraw/zinc/12/71/91/344127191.db2.gz KTZOQYDXEROAOT-ZCFIWIBFSA-N 0 3 176.285 0.074 20 0 ACADHN C[C@H](O)[C@@H]1CCN(CCF)C1 156865658 344096855 /nfs/dbraw/zinc/09/68/55/344096855.db2.gz JPURBCZYULDLEC-JGVFFNPUSA-N 0 3 161.220 0.659 20 0 ACADHN C[C@H](O)[C@H]1CCN(CCF)C1 156865819 344097074 /nfs/dbraw/zinc/09/70/74/344097074.db2.gz JPURBCZYULDLEC-YUMQZZPRSA-N 0 3 161.220 0.659 20 0 ACADHN C[C@@H](O)[C@H]1CCN(CCF)C1 156865961 344097332 /nfs/dbraw/zinc/09/73/32/344097332.db2.gz JPURBCZYULDLEC-SFYZADRCSA-N 0 3 161.220 0.659 20 0 ACADHN C[C@@H](O)[C@@H]1CCN(CCF)C1 156865729 344097370 /nfs/dbraw/zinc/09/73/70/344097370.db2.gz JPURBCZYULDLEC-HTQZYQBOSA-N 0 3 161.220 0.659 20 0 ACADHN Cc1ncccc1CNCCCO 157118596 344100378 /nfs/dbraw/zinc/10/03/78/344100378.db2.gz NNQQIRLAPNWRQP-UHFFFAOYSA-N 0 3 180.251 0.862 20 0 ACADHN Cc1ncccc1CNCCO 157204640 344101486 /nfs/dbraw/zinc/10/14/86/344101486.db2.gz XDATXJRZSVENOK-UHFFFAOYSA-N 0 3 166.224 0.472 20 0 ACADHN OCCNCc1n[nH]c2ccccc12 157204780 344101546 /nfs/dbraw/zinc/10/15/46/344101546.db2.gz MEWGJIQCLOAZLW-UHFFFAOYSA-N 0 3 191.234 0.645 20 0 ACADHN OCCNCc1[nH]nc2ccccc12 157204780 344101548 /nfs/dbraw/zinc/10/15/48/344101548.db2.gz MEWGJIQCLOAZLW-UHFFFAOYSA-N 0 3 191.234 0.645 20 0 ACADHN Cc1ccoc1CNCCO 157331262 344103509 /nfs/dbraw/zinc/10/35/09/344103509.db2.gz QVDHBQLSOCBDEF-UHFFFAOYSA-N 0 3 155.197 0.670 20 0 ACADHN Cc1ncccc1CN[C@H](C)CO 157345676 344104065 /nfs/dbraw/zinc/10/40/65/344104065.db2.gz IWZUJLCDEAIIQK-MRVPVSSYSA-N 0 3 180.251 0.860 20 0 ACADHN Cc1ncccc1CN[C@@H](C)CO 157345522 344104426 /nfs/dbraw/zinc/10/44/26/344104426.db2.gz IWZUJLCDEAIIQK-QMMMGPOBSA-N 0 3 180.251 0.860 20 0 ACADHN C[C@H](N)C(=O)NC[C@H]1C[C@H]1C 157532134 344108344 /nfs/dbraw/zinc/10/83/44/344108344.db2.gz UJGMUOSYSOJHSF-DSYKOEDSSA-N 0 3 156.229 0.106 20 0 ACADHN C[C@H](N)C(=O)NC[C@@H]1C[C@@H]1C 157532575 344108505 /nfs/dbraw/zinc/10/85/05/344108505.db2.gz UJGMUOSYSOJHSF-ACZMJKKPSA-N 0 3 156.229 0.106 20 0 ACADHN C[C@H](N)C(=O)NC[C@H]1C[C@@H]1C 157532271 344108487 /nfs/dbraw/zinc/10/84/87/344108487.db2.gz UJGMUOSYSOJHSF-LYFYHCNISA-N 0 3 156.229 0.106 20 0 ACADHN C[C@@H]1C[C@H]1CNC(=O)C(C)(C)N 157533017 344108523 /nfs/dbraw/zinc/10/85/23/344108523.db2.gz FOGFUNXSSVPRJX-RQJHMYQMSA-N 0 3 170.256 0.496 20 0 ACADHN C[C@H]1C[C@H]1CNC(=O)C(C)(C)N 157533162 344108551 /nfs/dbraw/zinc/10/85/51/344108551.db2.gz FOGFUNXSSVPRJX-BQBZGAKWSA-N 0 3 170.256 0.496 20 0 ACADHN COc1ccnc(NCCN(C)C)n1 157521739 344108556 /nfs/dbraw/zinc/10/85/56/344108556.db2.gz XPJTZDKGLIIOHH-UHFFFAOYSA-N 0 3 196.254 0.459 20 0 ACADHN C[C@H](N)C(=O)NC[C@@H]1C[C@H]1C 157532423 344108625 /nfs/dbraw/zinc/10/86/25/344108625.db2.gz UJGMUOSYSOJHSF-VQVTYTSYSA-N 0 3 156.229 0.106 20 0 ACADHN C[C@H]1C[C@@H]1CNC(=O)C(C)(C)N 157532864 344108664 /nfs/dbraw/zinc/10/86/64/344108664.db2.gz FOGFUNXSSVPRJX-NKWVEPMBSA-N 0 3 170.256 0.496 20 0 ACADHN C[C@@H]1C[C@@H]1CNC(=O)C(C)(C)N 157532715 344108697 /nfs/dbraw/zinc/10/86/97/344108697.db2.gz FOGFUNXSSVPRJX-RNFRBKRXSA-N 0 3 170.256 0.496 20 0 ACADHN C[C@H]1C[C@H]1CNC(=O)[C@@H](C)N 157536467 344108951 /nfs/dbraw/zinc/10/89/51/344108951.db2.gz UJGMUOSYSOJHSF-XVMARJQXSA-N 0 3 156.229 0.106 20 0 ACADHN C[C@H]1C[C@@H]1CNC(=O)[C@@H](C)N 157536165 344109114 /nfs/dbraw/zinc/10/91/14/344109114.db2.gz UJGMUOSYSOJHSF-RRKCRQDMSA-N 0 3 156.229 0.106 20 0 ACADHN C[C@@H](N)C(=O)NC[C@@H]1C[C@H]1C 157536323 344109151 /nfs/dbraw/zinc/10/91/51/344109151.db2.gz UJGMUOSYSOJHSF-QYNIQEEDSA-N 0 3 156.229 0.106 20 0 ACADHN C[C@@H](N)C(=O)NC[C@H]1C[C@H]1C 157536014 344109212 /nfs/dbraw/zinc/10/92/12/344109212.db2.gz UJGMUOSYSOJHSF-FSDSQADBSA-N 0 3 156.229 0.106 20 0 ACADHN CC(C)(C)OCCN1CC[C@H](O)C1 157564478 344109595 /nfs/dbraw/zinc/10/95/95/344109595.db2.gz QTFYCTRGWBLUQI-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN CC(C)(C)OCCN1CC[C@@H](O)C1 157566523 344109655 /nfs/dbraw/zinc/10/96/55/344109655.db2.gz QTFYCTRGWBLUQI-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@@H](N)C(=O)NC1CCSCC1 157571462 344109753 /nfs/dbraw/zinc/10/97/53/344109753.db2.gz XTCVTJPLLHHUNU-ZCFIWIBFSA-N 0 3 188.296 0.345 20 0 ACADHN C[C@H](N)C(=O)NC1CCSCC1 157570683 344109796 /nfs/dbraw/zinc/10/97/96/344109796.db2.gz XTCVTJPLLHHUNU-LURJTMIESA-N 0 3 188.296 0.345 20 0 ACADHN C[C@@H]1CN(C(=O)[C@@H](C)N)CCS1 157590046 344109897 /nfs/dbraw/zinc/10/98/97/344109897.db2.gz VINUDODTXMYIPB-RNFRBKRXSA-N 0 3 188.296 0.298 20 0 ACADHN C[C@H](N)C(=O)N1CCS[C@H](C)C1 157588835 344110049 /nfs/dbraw/zinc/11/00/49/344110049.db2.gz VINUDODTXMYIPB-RQJHMYQMSA-N 0 3 188.296 0.298 20 0 ACADHN C[C@H](N)C(=O)NC1(C)CC1 157641756 344110837 /nfs/dbraw/zinc/11/08/37/344110837.db2.gz FKXPGQKEESHAJA-YFKPBYRVSA-N 0 3 142.202 0.002 20 0 ACADHN CC[C@H](N)C(=O)N(C)C1CCC1 157645502 344111100 /nfs/dbraw/zinc/11/11/00/344111100.db2.gz DSKWKHNGCYXAGZ-QMMMGPOBSA-N 0 3 170.256 0.735 20 0 ACADHN CC1CC(NC(=O)[C@@H](N)C(C)C)C1 157664975 344111184 /nfs/dbraw/zinc/11/11/84/344111184.db2.gz AYTLORYLFTYVOO-HACHORDNSA-N 0 3 184.283 0.884 20 0 ACADHN CC1CC(NC(=O)[C@H](C)N)C1 157662557 344111205 /nfs/dbraw/zinc/11/12/05/344111205.db2.gz SXABFCSDAJZGDO-HUDPQJTASA-N 0 3 156.229 0.248 20 0 ACADHN C[C@H](N)C(=O)N(C)C1CCC1 157644544 344111298 /nfs/dbraw/zinc/11/12/98/344111298.db2.gz QGEGYFPDVJVOEO-LURJTMIESA-N 0 3 156.229 0.345 20 0 ACADHN C[C@@H](N)C(=O)NC1(C)CC1 157642238 344111337 /nfs/dbraw/zinc/11/13/37/344111337.db2.gz FKXPGQKEESHAJA-RXMQYKEDSA-N 0 3 142.202 0.002 20 0 ACADHN C[C@@H](N)C(=O)N(C)C1CCC1 157644877 344111382 /nfs/dbraw/zinc/11/13/82/344111382.db2.gz QGEGYFPDVJVOEO-ZCFIWIBFSA-N 0 3 156.229 0.345 20 0 ACADHN CC1CC(NC(=O)C(C)(C)N)C1 157662731 344111396 /nfs/dbraw/zinc/11/13/96/344111396.db2.gz DJHBRGOYNSWSMA-UHFFFAOYSA-N 0 3 170.256 0.638 20 0 ACADHN CC[C@H](N)C(=O)NC1CC(C)C1 157664302 344111414 /nfs/dbraw/zinc/11/14/14/344111414.db2.gz HHAJZBHOGACMQK-RRQHEKLDSA-N 0 3 170.256 0.638 20 0 ACADHN CCC1(NC(=O)[C@H](C)N)CCC1 157669578 344111511 /nfs/dbraw/zinc/11/15/11/344111511.db2.gz ZOWRTGLFGUYHJN-ZETCQYMHSA-N 0 3 170.256 0.783 20 0 ACADHN CCSCC[C@H](C)NC(=O)CN 157684986 344111806 /nfs/dbraw/zinc/11/18/06/344111806.db2.gz UWOIACDTHRFEAO-ZETCQYMHSA-N 0 3 190.312 0.593 20 0 ACADHN CCSCC[C@@H](C)NC(=O)CN 157684852 344111882 /nfs/dbraw/zinc/11/18/82/344111882.db2.gz UWOIACDTHRFEAO-SSDOTTSWSA-N 0 3 190.312 0.593 20 0 ACADHN CSC[C@H](C)NC(=O)C(C)(C)N 157736956 344112237 /nfs/dbraw/zinc/11/22/37/344112237.db2.gz WBCUGNCBFNUQIM-LURJTMIESA-N 0 3 190.312 0.591 20 0 ACADHN CSC[C@H](C)NC(=O)[C@H](C)N 157736637 344112246 /nfs/dbraw/zinc/11/22/46/344112246.db2.gz VCIAQGSJCLABBW-WDSKDSINSA-N 0 3 176.285 0.201 20 0 ACADHN CC[C@@H]1CN(C(=O)CN)CCS1 157711095 344112280 /nfs/dbraw/zinc/11/22/80/344112280.db2.gz FNFDQVTWOZPGFM-SSDOTTSWSA-N 0 3 188.296 0.299 20 0 ACADHN CSCC[C@H](C)N(C)C(=O)CN 157732748 344112311 /nfs/dbraw/zinc/11/23/11/344112311.db2.gz KXWBQINIMWESKE-ZETCQYMHSA-N 0 3 190.312 0.545 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H](C)CSC 157739959 344112327 /nfs/dbraw/zinc/11/23/27/344112327.db2.gz QSEIUCKVFXKLBA-BQBZGAKWSA-N 0 3 190.312 0.591 20 0 ACADHN CSC[C@@H](C)NC(=O)[C@@H](C)N 157738586 344112341 /nfs/dbraw/zinc/11/23/41/344112341.db2.gz VCIAQGSJCLABBW-PHDIDXHHSA-N 0 3 176.285 0.201 20 0 ACADHN CSC[C@H](C)NC(=O)[C@@H](C)N 157738450 344112360 /nfs/dbraw/zinc/11/23/60/344112360.db2.gz VCIAQGSJCLABBW-NTSWFWBYSA-N 0 3 176.285 0.201 20 0 ACADHN C[C@@H]1SCCN(C(=O)CN)[C@H]1C 157704458 344112385 /nfs/dbraw/zinc/11/23/85/344112385.db2.gz ZAVGFPRSEDPAGW-BQBZGAKWSA-N 0 3 188.296 0.298 20 0 ACADHN Cc1cccnc1CN1CC[C@H](O)C1 157724606 344112440 /nfs/dbraw/zinc/11/24/40/344112440.db2.gz JEFVDBRQYBWVPV-JTQLQIEISA-N 0 3 192.262 0.957 20 0 ACADHN C[C@H]1[C@@H](C)SCCN1C(=O)CN 157704747 344112456 /nfs/dbraw/zinc/11/24/56/344112456.db2.gz ZAVGFPRSEDPAGW-NKWVEPMBSA-N 0 3 188.296 0.298 20 0 ACADHN CC[C@H](N)C(=O)N[C@H](C)CSC 157740120 344112503 /nfs/dbraw/zinc/11/25/03/344112503.db2.gz QSEIUCKVFXKLBA-RQJHMYQMSA-N 0 3 190.312 0.591 20 0 ACADHN C[C@H]1SCCN(C(=O)CN)[C@@H]1C 157704611 344112507 /nfs/dbraw/zinc/11/25/07/344112507.db2.gz ZAVGFPRSEDPAGW-RNFRBKRXSA-N 0 3 188.296 0.298 20 0 ACADHN Cc1cccnc1CN1CC[C@@H](O)C1 157724756 344112553 /nfs/dbraw/zinc/11/25/53/344112553.db2.gz JEFVDBRQYBWVPV-SNVBAGLBSA-N 0 3 192.262 0.957 20 0 ACADHN CSC[C@@H](C)NC(=O)C(C)(C)N 157737126 344112559 /nfs/dbraw/zinc/11/25/59/344112559.db2.gz WBCUGNCBFNUQIM-ZCFIWIBFSA-N 0 3 190.312 0.591 20 0 ACADHN CSC[C@@H](C)NC(=O)[C@H](C)N 157736803 344112565 /nfs/dbraw/zinc/11/25/65/344112565.db2.gz VCIAQGSJCLABBW-RITPCOANSA-N 0 3 176.285 0.201 20 0 ACADHN CSCC[C@@H](C)N(C)C(=O)CN 157732879 344112575 /nfs/dbraw/zinc/11/25/75/344112575.db2.gz KXWBQINIMWESKE-SSDOTTSWSA-N 0 3 190.312 0.545 20 0 ACADHN CC[C@H]1CN(C(=O)CN)CCS1 157711242 344112655 /nfs/dbraw/zinc/11/26/55/344112655.db2.gz FNFDQVTWOZPGFM-ZETCQYMHSA-N 0 3 188.296 0.299 20 0 ACADHN C[C@H]1C[C@H](C)N(C(=O)[C@@H](C)N)C1 157747315 344112816 /nfs/dbraw/zinc/11/28/16/344112816.db2.gz SBPZBYZMXYDNKE-BIIVOSGPSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@H]1C[C@H](C)N(C(=O)[C@H](C)N)C1 157745499 344112764 /nfs/dbraw/zinc/11/27/64/344112764.db2.gz SBPZBYZMXYDNKE-FXQIFTODSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@H]1C[C@@H](C)CN1C(=O)CN 157746007 344112801 /nfs/dbraw/zinc/11/28/01/344112801.db2.gz AZEHLAMRSYGTIL-RQJHMYQMSA-N 0 3 156.229 0.202 20 0 ACADHN C[C@@H]1C[C@@H](C)N(C(=O)[C@@H](C)N)C1 157747472 344112927 /nfs/dbraw/zinc/11/29/27/344112927.db2.gz SBPZBYZMXYDNKE-BWZBUEFSSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@H]1C[C@H](C)N(C(=O)CN)C1 157746147 344113000 /nfs/dbraw/zinc/11/30/00/344113000.db2.gz AZEHLAMRSYGTIL-BQBZGAKWSA-N 0 3 156.229 0.202 20 0 ACADHN C[C@H]1C[C@@H](C)CN1C(=O)[C@@H](C)N 157747160 344113036 /nfs/dbraw/zinc/11/30/36/344113036.db2.gz SBPZBYZMXYDNKE-GJMOJQLCSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@H](N)C(=O)N1C[C@H](C)C[C@H]1C 157745640 344113071 /nfs/dbraw/zinc/11/30/71/344113071.db2.gz SBPZBYZMXYDNKE-PRJMDXOYSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@H]1C[C@@H](C)N(C(=O)[C@@H](C)N)C1 157747621 344113106 /nfs/dbraw/zinc/11/31/06/344113106.db2.gz SBPZBYZMXYDNKE-XLPZGREQSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@H](N)C(=O)N1C[C@H](C)C[C@@H]1C 157745351 344113115 /nfs/dbraw/zinc/11/31/15/344113115.db2.gz SBPZBYZMXYDNKE-CSMHCCOUSA-N 0 3 170.256 0.591 20 0 ACADHN Cc1nnc(NC(=O)C2(N)CC2)s1 157945091 344116806 /nfs/dbraw/zinc/11/68/06/344116806.db2.gz CZDAJUCRROHWIX-UHFFFAOYSA-N 0 3 198.251 0.276 20 0 ACADHN CC1CC(NC(=O)C2(N)CC2)C1 158248157 344122593 /nfs/dbraw/zinc/12/25/93/344122593.db2.gz IZPIDQFKOYFHJQ-UHFFFAOYSA-N 0 3 168.240 0.392 20 0 ACADHN CC[C@H]1CCN(C(=O)[C@@H](C)N)C1 158321011 344124122 /nfs/dbraw/zinc/12/41/22/344124122.db2.gz SCRQATPXGZLCLJ-SFYZADRCSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@@H]1CCN(C(=O)C(C)(C)N)C1 158319983 344124266 /nfs/dbraw/zinc/12/42/66/344124266.db2.gz FJIMANDRIPHLRF-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@H]1CCN(C(=O)[C@@H](N)CC)C1 158322248 344124343 /nfs/dbraw/zinc/12/43/43/344124343.db2.gz DGAHCQOIQVXYLG-IUCAKERBSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@@H]1CCN(C(=O)[C@@H](C)N)C1 158320861 344124435 /nfs/dbraw/zinc/12/44/35/344124435.db2.gz SCRQATPXGZLCLJ-HTQZYQBOSA-N 0 3 170.256 0.592 20 0 ACADHN CSC[C@@H](C)NC(=O)C1(N)CC1 158425655 344126493 /nfs/dbraw/zinc/12/64/93/344126493.db2.gz SAMNEORYIRJNLD-ZCFIWIBFSA-N 0 3 188.296 0.345 20 0 ACADHN CSC[C@H](C)NC(=O)C1(N)CC1 158425522 344126611 /nfs/dbraw/zinc/12/66/11/344126611.db2.gz SAMNEORYIRJNLD-LURJTMIESA-N 0 3 188.296 0.345 20 0 ACADHN CNCC(=O)N[C@@H](C)CSC 158432517 344127074 /nfs/dbraw/zinc/12/70/74/344127074.db2.gz KTZOQYDXEROAOT-LURJTMIESA-N 0 3 176.285 0.074 20 0 ACADHN CC[C@H]1CCN(C(=O)CNC)C1 158490673 344127805 /nfs/dbraw/zinc/12/78/05/344127805.db2.gz VBTPBHHWAILGNC-QMMMGPOBSA-N 0 3 170.256 0.464 20 0 ACADHN C[C@@H](O)CN(C)C[C@H]1CCCCO1 158492663 344127830 /nfs/dbraw/zinc/12/78/30/344127830.db2.gz CPTUOWFTOHXNMP-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H]1CCN(C(=O)CNC)C1 158490520 344127847 /nfs/dbraw/zinc/12/78/47/344127847.db2.gz VBTPBHHWAILGNC-MRVPVSSYSA-N 0 3 170.256 0.464 20 0 ACADHN C[C@H](O)CN(C)C[C@H]1CCCCO1 158492838 344127923 /nfs/dbraw/zinc/12/79/23/344127923.db2.gz CPTUOWFTOHXNMP-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H]1CO[C@@H](C)CN1C[C@H](C)O 158496593 344128301 /nfs/dbraw/zinc/12/83/01/344128301.db2.gz ZGTOLZKJMRILCE-LPEHRKFASA-N 0 3 187.283 0.867 20 0 ACADHN CCN1CCN(C[C@H](C)O)C[C@@H]1C 158502151 344128413 /nfs/dbraw/zinc/12/84/13/344128413.db2.gz VEQMSDLQTQAMTH-UWVGGRQHSA-N 0 3 186.299 0.393 20 0 ACADHN C[C@H](O)CN1C[C@@H](C)OC(C)(C)C1 158499081 344128452 /nfs/dbraw/zinc/12/84/52/344128452.db2.gz UXUGVXKHFGMMBL-DTWKUNHWSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@H](O)CN1C[C@H](C)OC(C)(C)C1 158499225 344128531 /nfs/dbraw/zinc/12/85/31/344128531.db2.gz UXUGVXKHFGMMBL-IUCAKERBSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H]1CO[C@H](C)CN1C[C@H](C)O 158496313 344128579 /nfs/dbraw/zinc/12/85/79/344128579.db2.gz ZGTOLZKJMRILCE-IVZWLZJFSA-N 0 3 187.283 0.867 20 0 ACADHN CN(C(=O)C1(N)CC1)C1CCC1 158624254 344129703 /nfs/dbraw/zinc/12/97/03/344129703.db2.gz LGKKJELCGVOJFD-UHFFFAOYSA-N 0 3 168.240 0.489 20 0 ACADHN CC(C)N1C[C@H](CO)OC(C)(C)C1 158731489 344131554 /nfs/dbraw/zinc/13/15/54/344131554.db2.gz HUYVBENJDNFKHC-SECBINFHSA-N 0 3 187.283 0.867 20 0 ACADHN CC(C)N1C[C@@H](CO)OC(C)(C)C1 158731640 344131628 /nfs/dbraw/zinc/13/16/28/344131628.db2.gz HUYVBENJDNFKHC-VIFPVBQESA-N 0 3 187.283 0.867 20 0 ACADHN CC1(C)CN(CC2CC2)C[C@H](CO)O1 158729433 344131741 /nfs/dbraw/zinc/13/17/41/344131741.db2.gz MVYWSUYSPGRQIK-SNVBAGLBSA-N 0 3 199.294 0.868 20 0 ACADHN CCCN1C[C@@H](CO)OC(C)(C)C1 158737048 344131844 /nfs/dbraw/zinc/13/18/44/344131844.db2.gz FURPDRUPZWVIMJ-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN CC1(C)CN(CC2CC2)C[C@@H](CO)O1 158729575 344131905 /nfs/dbraw/zinc/13/19/05/344131905.db2.gz MVYWSUYSPGRQIK-JTQLQIEISA-N 0 3 199.294 0.868 20 0 ACADHN CCCN1C[C@H](CO)OC(C)(C)C1 158736881 344131954 /nfs/dbraw/zinc/13/19/54/344131954.db2.gz FURPDRUPZWVIMJ-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN CN(C)CCn1ccsc1=O 158904175 344134661 /nfs/dbraw/zinc/13/46/61/344134661.db2.gz YNBSZNMKXFKJQB-UHFFFAOYSA-N 0 3 172.253 0.471 20 0 ACADHN CCOC(=O)CCN(C)[C@H](C)CO 159130513 344139782 /nfs/dbraw/zinc/13/97/82/344139782.db2.gz UHDIRZQFVKNVSB-MRVPVSSYSA-N 0 3 189.255 0.252 20 0 ACADHN OC[C@@H]1COCCN1CC1CCC1 159264306 344141461 /nfs/dbraw/zinc/14/14/61/344141461.db2.gz VEEQIXAYJQDVKP-SNVBAGLBSA-N 0 3 185.267 0.480 20 0 ACADHN C[C@@H](O)[C@H]1CCN(Cc2ccno2)C1 159466703 344145700 /nfs/dbraw/zinc/14/57/00/344145700.db2.gz WFZPHVKJLQESMU-BDAKNGLRSA-N 0 3 196.250 0.877 20 0 ACADHN C[C@@H](O)[C@@H]1CCN(Cc2ccno2)C1 159466468 344145775 /nfs/dbraw/zinc/14/57/75/344145775.db2.gz WFZPHVKJLQESMU-RKDXNWHRSA-N 0 3 196.250 0.877 20 0 ACADHN C[C@H](O)[C@@H]1CCN(Cc2ccno2)C1 159466329 344145893 /nfs/dbraw/zinc/14/58/93/344145893.db2.gz WFZPHVKJLQESMU-DTWKUNHWSA-N 0 3 196.250 0.877 20 0 ACADHN C[C@H](O)[C@H]1CCN(Cc2ccno2)C1 159466573 344145951 /nfs/dbraw/zinc/14/59/51/344145951.db2.gz WFZPHVKJLQESMU-IUCAKERBSA-N 0 3 196.250 0.877 20 0 ACADHN CC1(C)[C@@H](O)C[C@H]1NCc1cn[nH]c1 159553917 344147796 /nfs/dbraw/zinc/14/77/96/344147796.db2.gz IWSTZYROVDQKNW-BDAKNGLRSA-N 0 3 195.266 0.659 20 0 ACADHN CC1(C)[C@@H](NCc2cn[nH]c2)C[C@H]1O 159554263 344147930 /nfs/dbraw/zinc/14/79/30/344147930.db2.gz IWSTZYROVDQKNW-DTWKUNHWSA-N 0 3 195.266 0.659 20 0 ACADHN CC1(C)[C@H](O)C[C@H]1NCc1cn[nH]c1 159554148 344147951 /nfs/dbraw/zinc/14/79/51/344147951.db2.gz IWSTZYROVDQKNW-RKDXNWHRSA-N 0 3 195.266 0.659 20 0 ACADHN CC(C)[C@H](N)C(=O)N(C)C1CCC1 159740395 344151722 /nfs/dbraw/zinc/15/17/22/344151722.db2.gz ISWMNLFBVNMPCQ-VIFPVBQESA-N 0 3 184.283 0.981 20 0 ACADHN Cc1cccnc1COC1CNC1 159881819 344154022 /nfs/dbraw/zinc/15/40/22/344154022.db2.gz FUCHDFKRJKBCGF-UHFFFAOYSA-N 0 3 178.235 0.878 20 0 ACADHN Cn1cc(CN[C@@]2(C)CCOC2)cn1 160187353 344159100 /nfs/dbraw/zinc/15/91/00/344159100.db2.gz DFYKKHKHEFCEIZ-JTQLQIEISA-N 0 3 195.266 0.689 20 0 ACADHN Cc1n[nH]cc1CN[C@@]1(C)CCOC1 160188476 344159150 /nfs/dbraw/zinc/15/91/50/344159150.db2.gz PECNTVUIENDAIR-JTQLQIEISA-N 0 3 195.266 0.987 20 0 ACADHN Cn1nccc1CN[C@@]1(C)CCOC1 160193748 344159545 /nfs/dbraw/zinc/15/95/45/344159545.db2.gz XOLWKIIFNJSGDN-JTQLQIEISA-N 0 3 195.266 0.689 20 0 ACADHN Cn1cncc1CN[C@]1(C)CCOC1 160197887 344159598 /nfs/dbraw/zinc/15/95/98/344159598.db2.gz ILIPVBJQLDFCGF-SNVBAGLBSA-N 0 3 195.266 0.689 20 0 ACADHN CN1C(=O)C[C@@H](N)[C@H]1c1cncs1 161692741 344195905 /nfs/dbraw/zinc/19/59/05/344195905.db2.gz NTFPRHKNKNFILY-XRGYYRRGSA-N 0 3 197.263 0.374 20 0 ACADHN CN1C(=O)C[C@H](N)[C@@H]1c1nccs1 161692582 344196045 /nfs/dbraw/zinc/19/60/45/344196045.db2.gz UUSXWBJXIHGAQT-CAHLUQPWSA-N 0 3 197.263 0.374 20 0 ACADHN CN1C(=O)C[C@H](N)[C@@H]1c1cncs1 161693033 344196060 /nfs/dbraw/zinc/19/60/60/344196060.db2.gz NTFPRHKNKNFILY-YLWLKBPMSA-N 0 3 197.263 0.374 20 0 ACADHN CN1C(=O)C[C@H](N)[C@H]1c1cncs1 161692907 344196121 /nfs/dbraw/zinc/19/61/21/344196121.db2.gz NTFPRHKNKNFILY-XNCJUZBTSA-N 0 3 197.263 0.374 20 0 ACADHN CN1C(=O)C[C@H](N)[C@H]1c1nccs1 161692468 344196155 /nfs/dbraw/zinc/19/61/55/344196155.db2.gz UUSXWBJXIHGAQT-FSPLSTOPSA-N 0 3 197.263 0.374 20 0 ACADHN CN1C(=O)C[C@@H](N)[C@@H]1c1cncs1 161692838 344196235 /nfs/dbraw/zinc/19/62/35/344196235.db2.gz NTFPRHKNKNFILY-SVGQVSJJSA-N 0 3 197.263 0.374 20 0 ACADHN CN1C(=O)C[C@@H](N)[C@@H]1c1nccs1 161692332 344196252 /nfs/dbraw/zinc/19/62/52/344196252.db2.gz UUSXWBJXIHGAQT-IYSWYEEDSA-N 0 3 197.263 0.374 20 0 ACADHN CN1CC[C@H](N)[C@@H]1c1nccs1 161706694 344196446 /nfs/dbraw/zinc/19/64/46/344196446.db2.gz IJDPUDUSSOFLBL-NKWVEPMBSA-N 0 3 183.280 0.847 20 0 ACADHN CN1CC[C@@H](N)[C@@H]1c1nccs1 161706802 344196603 /nfs/dbraw/zinc/19/66/03/344196603.db2.gz IJDPUDUSSOFLBL-RNFRBKRXSA-N 0 3 183.280 0.847 20 0 ACADHN CO[C@@H](CN)c1cncs1 161738866 344196947 /nfs/dbraw/zinc/19/69/47/344196947.db2.gz SURPEABJPXXBJX-YFKPBYRVSA-N 0 3 158.226 0.789 20 0 ACADHN CO[C@H](CN)c1cncs1 161738998 344197073 /nfs/dbraw/zinc/19/70/73/344197073.db2.gz SURPEABJPXXBJX-RXMQYKEDSA-N 0 3 158.226 0.789 20 0 ACADHN Cc1cc(CNC[C@H](C)CO)on1 161868467 344199991 /nfs/dbraw/zinc/19/99/91/344199991.db2.gz RBSPVLKABGAZLD-ZETCQYMHSA-N 0 3 184.239 0.701 20 0 ACADHN OCCN(CCO)[C@@H]1C=CCCC1 161949678 344200923 /nfs/dbraw/zinc/20/09/23/344200923.db2.gz QEMXMMPTHMTBRE-SNVBAGLBSA-N 0 3 185.267 0.382 20 0 ACADHN OCCN(CCO)[C@H]1C=CCCC1 161949540 344200986 /nfs/dbraw/zinc/20/09/86/344200986.db2.gz QEMXMMPTHMTBRE-JTQLQIEISA-N 0 3 185.267 0.382 20 0 ACADHN CC(C)OCC(=O)NCCN(C)C 162346157 344206430 /nfs/dbraw/zinc/20/64/30/344206430.db2.gz MSOJJYYAAHEBEY-UHFFFAOYSA-N 0 3 188.271 0.089 20 0 ACADHN C[C@@H](CN(C)C)NCc1ccon1 162763042 344213659 /nfs/dbraw/zinc/21/36/59/344213659.db2.gz ZGQCNQPVINKFGP-QMMMGPOBSA-N 0 3 183.255 0.714 20 0 ACADHN C[C@H](N)C(=O)NC1(C)CCC1 163283928 344221347 /nfs/dbraw/zinc/22/13/47/344221347.db2.gz USSJPVUTOMNNIZ-LURJTMIESA-N 0 3 156.229 0.392 20 0 ACADHN CS[C@@H](C)CNC(=O)C1(N)CC1 163271535 344221496 /nfs/dbraw/zinc/22/14/96/344221496.db2.gz MBWSOTFKPKSIIC-LURJTMIESA-N 0 3 188.296 0.345 20 0 ACADHN C[C@@H](N)C(=O)NC1(C)CCC1 163284028 344221512 /nfs/dbraw/zinc/22/15/12/344221512.db2.gz USSJPVUTOMNNIZ-ZCFIWIBFSA-N 0 3 156.229 0.392 20 0 ACADHN CS[C@H](C)CNC(=O)C1(N)CC1 163271647 344221601 /nfs/dbraw/zinc/22/16/01/344221601.db2.gz MBWSOTFKPKSIIC-ZCFIWIBFSA-N 0 3 188.296 0.345 20 0 ACADHN C[C@@H]1CN(C(=O)C2(N)CC2)CC[C@H]1C 163306491 344222035 /nfs/dbraw/zinc/22/20/35/344222035.db2.gz QMRIDZFWHWOEBB-RKDXNWHRSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@@H]1CCN(C(=O)C2(N)CC2)C[C@@H]1C 163306266 344222109 /nfs/dbraw/zinc/22/21/09/344222109.db2.gz QMRIDZFWHWOEBB-BDAKNGLRSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@H]1CCN(C(=O)C2(N)CC2)C[C@H]1C 163306608 344222116 /nfs/dbraw/zinc/22/21/16/344222116.db2.gz QMRIDZFWHWOEBB-DTWKUNHWSA-N 0 3 196.294 0.982 20 0 ACADHN CC1(C)[C@@H](O)C[C@H]1NCc1c[nH]cn1 163384767 344222933 /nfs/dbraw/zinc/22/29/33/344222933.db2.gz QVAAHNIONMSVPL-BDAKNGLRSA-N 0 3 195.266 0.659 20 0 ACADHN CC1(C)[C@@H](O)C[C@H]1NCc1cnc[nH]1 163384767 344222937 /nfs/dbraw/zinc/22/29/37/344222937.db2.gz QVAAHNIONMSVPL-BDAKNGLRSA-N 0 3 195.266 0.659 20 0 ACADHN CC1(C)[C@@H](O)C[C@@H]1NCc1c[nH]cn1 163384882 344222947 /nfs/dbraw/zinc/22/29/47/344222947.db2.gz QVAAHNIONMSVPL-IUCAKERBSA-N 0 3 195.266 0.659 20 0 ACADHN CC1(C)[C@@H](O)C[C@@H]1NCc1cnc[nH]1 163384882 344222950 /nfs/dbraw/zinc/22/29/50/344222950.db2.gz QVAAHNIONMSVPL-IUCAKERBSA-N 0 3 195.266 0.659 20 0 ACADHN CC1(C)[C@H](O)C[C@H]1NCc1c[nH]cn1 163384973 344222960 /nfs/dbraw/zinc/22/29/60/344222960.db2.gz QVAAHNIONMSVPL-RKDXNWHRSA-N 0 3 195.266 0.659 20 0 ACADHN CC1(C)[C@H](O)C[C@H]1NCc1cnc[nH]1 163384973 344222962 /nfs/dbraw/zinc/22/29/62/344222962.db2.gz QVAAHNIONMSVPL-RKDXNWHRSA-N 0 3 195.266 0.659 20 0 ACADHN CC1(C)[C@@H](NCc2c[nH]cn2)C[C@H]1O 163385077 344222992 /nfs/dbraw/zinc/22/29/92/344222992.db2.gz QVAAHNIONMSVPL-DTWKUNHWSA-N 0 3 195.266 0.659 20 0 ACADHN CC1(C)[C@@H](NCc2cnc[nH]2)C[C@H]1O 163385077 344222993 /nfs/dbraw/zinc/22/29/93/344222993.db2.gz QVAAHNIONMSVPL-DTWKUNHWSA-N 0 3 195.266 0.659 20 0 ACADHN CN1CCC[C@@H]1CNCc1cc[nH]n1 163805450 344230746 /nfs/dbraw/zinc/23/07/46/344230746.db2.gz LXQYJACYGKLYJN-SNVBAGLBSA-N 0 3 194.282 0.594 20 0 ACADHN CC(C)n1cc(CNCCCO)cn1 163968922 344234425 /nfs/dbraw/zinc/23/44/25/344234425.db2.gz XQCSEHPVLQXOIN-UHFFFAOYSA-N 0 3 197.282 0.936 20 0 ACADHN CC(C)n1cc(CN[C@H](C)CO)cn1 163973653 344234519 /nfs/dbraw/zinc/23/45/19/344234519.db2.gz QMINHCNBVKRPBG-SECBINFHSA-N 0 3 197.282 0.934 20 0 ACADHN COC(=O)CCN(C)C[C@@H](C)OC 164053319 344235682 /nfs/dbraw/zinc/23/56/82/344235682.db2.gz XTFNBQMTQKBXCC-MRVPVSSYSA-N 0 3 189.255 0.516 20 0 ACADHN CC[C@](C)(N)C(=O)N1CCCCO1 164296398 344240659 /nfs/dbraw/zinc/24/06/59/344240659.db2.gz YZXLNRSBMLXICQ-VIFPVBQESA-N 0 3 186.255 0.668 20 0 ACADHN C[C@H](CNCc1ncc[nH]1)C[C@@H](C)O 164332375 344241661 /nfs/dbraw/zinc/24/16/61/344241661.db2.gz PEAUTFHFIGILFP-DTWKUNHWSA-N 0 3 197.282 0.906 20 0 ACADHN C[C@H](O)C[C@H](C)CNCc1ncc[nH]1 164332582 344241920 /nfs/dbraw/zinc/24/19/20/344241920.db2.gz PEAUTFHFIGILFP-IUCAKERBSA-N 0 3 197.282 0.906 20 0 ACADHN C[C@H](O)C[C@@H](C)CNCc1ncc[nH]1 164332692 344241959 /nfs/dbraw/zinc/24/19/59/344241959.db2.gz PEAUTFHFIGILFP-BDAKNGLRSA-N 0 3 197.282 0.906 20 0 ACADHN C[C@@H](O)C[C@@H](C)CNCc1ncc[nH]1 164332476 344241983 /nfs/dbraw/zinc/24/19/83/344241983.db2.gz PEAUTFHFIGILFP-RKDXNWHRSA-N 0 3 197.282 0.906 20 0 ACADHN COC[C@H](C)N[C@H](C)C[S@](C)=O 164469420 344245634 /nfs/dbraw/zinc/24/56/34/344245634.db2.gz RZSHGMRJENEDSQ-JOAULVNJSA-N 0 3 193.312 0.378 20 0 ACADHN CNC(=S)N[C@@H](C)CN(C)C 164471086 344245692 /nfs/dbraw/zinc/24/56/92/344245692.db2.gz GAWSUQYMYGFOEX-LURJTMIESA-N 0 3 175.301 0.030 20 0 ACADHN COC[C@H](C)N[C@@H](C)C[S@](C)=O 164469196 344245754 /nfs/dbraw/zinc/24/57/54/344245754.db2.gz RZSHGMRJENEDSQ-YVZVNANGSA-N 0 3 193.312 0.378 20 0 ACADHN Cc1ccc(NC(=O)C2(N)CC2)cn1 164831445 344252973 /nfs/dbraw/zinc/25/29/73/344252973.db2.gz LJKPIIQEGUBUCE-UHFFFAOYSA-N 0 3 191.234 0.820 20 0 ACADHN Cc1ccc(NC(=O)[C@@H](C)N)cn1 164826675 344253192 /nfs/dbraw/zinc/25/31/92/344253192.db2.gz RVWYAUGPNKCGCE-SSDOTTSWSA-N 0 3 179.223 0.676 20 0 ACADHN CC(C)[C@@H](CCO)NCc1cc[nH]n1 164854025 344253400 /nfs/dbraw/zinc/25/34/00/344253400.db2.gz NGJCYRSUWFQLPZ-SNVBAGLBSA-N 0 3 197.282 0.906 20 0 ACADHN CC(C)[C@H](CCO)NCc1ncc[nH]1 164853649 344253481 /nfs/dbraw/zinc/25/34/81/344253481.db2.gz NHGTVXNLBFHYAR-VIFPVBQESA-N 0 3 197.282 0.906 20 0 ACADHN CC(C)[C@@H](CCO)NCc1ncc[nH]1 164853539 344253493 /nfs/dbraw/zinc/25/34/93/344253493.db2.gz NHGTVXNLBFHYAR-SECBINFHSA-N 0 3 197.282 0.906 20 0 ACADHN CC(C)[C@H](CCO)NCc1cc[nH]n1 164854147 344253526 /nfs/dbraw/zinc/25/35/26/344253526.db2.gz NGJCYRSUWFQLPZ-JTQLQIEISA-N 0 3 197.282 0.906 20 0 ACADHN CCNCC(=O)Nc1ccc(C)nc1 164841334 344253538 /nfs/dbraw/zinc/25/35/38/344253538.db2.gz WHAVMUGDTHXOSJ-UHFFFAOYSA-N 0 3 193.250 0.938 20 0 ACADHN CC(C)n1cc(CN[C@@H](C)CO)cn1 164895467 344254183 /nfs/dbraw/zinc/25/41/83/344254183.db2.gz QMINHCNBVKRPBG-VIFPVBQESA-N 0 3 197.282 0.934 20 0 ACADHN CN(C)C1(CNC(N)=O)CCC1 164954536 344255704 /nfs/dbraw/zinc/25/57/04/344255704.db2.gz UIOIRBFVGWVKJD-UHFFFAOYSA-N 0 3 171.244 0.139 20 0 ACADHN CC(C)(CCO)CNCc1cc[nH]n1 164973019 344256017 /nfs/dbraw/zinc/25/60/17/344256017.db2.gz MJCPFQIVZNPPJM-UHFFFAOYSA-N 0 3 197.282 0.908 20 0 ACADHN CC(C)(CCO)CNCc1ncc[nH]1 164968810 344256246 /nfs/dbraw/zinc/25/62/46/344256246.db2.gz YCJOARLTSJGKFO-UHFFFAOYSA-N 0 3 197.282 0.908 20 0 ACADHN CN(CC1(N(C)C)CCC1)C(N)=O 165002003 344256454 /nfs/dbraw/zinc/25/64/54/344256454.db2.gz DUMHHYJZESOLIF-UHFFFAOYSA-N 0 3 185.271 0.481 20 0 ACADHN CNC(=O)N(C)CC1(N(C)C)CCC1 165002567 344256710 /nfs/dbraw/zinc/25/67/10/344256710.db2.gz DARJEVOXNZYTIY-UHFFFAOYSA-N 0 3 199.298 0.742 20 0 ACADHN CC(=O)N(C)CC1(N(C)C)CCC1 165273104 344260887 /nfs/dbraw/zinc/26/08/87/344260887.db2.gz ITQHSEADYCENQZ-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN CC(=O)NCC1(N(C)C)CCC1 165272200 344261115 /nfs/dbraw/zinc/26/11/15/344261115.db2.gz SBWIXATUAKJRBX-UHFFFAOYSA-N 0 3 170.256 0.607 20 0 ACADHN CCN1CCc2nc[nH]c2C1 165442625 344263880 /nfs/dbraw/zinc/26/38/80/344263880.db2.gz VMCPAKDRLLGHDT-UHFFFAOYSA-N 0 3 151.213 0.788 20 0 ACADHN CC1=CCN(C(=O)C(C)(C)N)CC1 166029632 344273691 /nfs/dbraw/zinc/27/36/91/344273691.db2.gz PHHKNLGQPKBCEL-UHFFFAOYSA-N 0 3 182.267 0.902 20 0 ACADHN CNC(=O)CNC1CC(C)C1 166614395 344285554 /nfs/dbraw/zinc/28/55/54/344285554.db2.gz SJGZFFNFEKVIEU-UHFFFAOYSA-N 0 3 156.229 0.121 20 0 ACADHN CC1CC(N[C@@H](C)C(=O)N(C)C)C1 166620250 344286029 /nfs/dbraw/zinc/28/60/29/344286029.db2.gz VQSDKZNWOHXWSE-MGURRDGZSA-N 0 3 184.283 0.851 20 0 ACADHN CN1CCC[C@H]1C(=O)N1CCC1 166779179 344289189 /nfs/dbraw/zinc/28/91/89/344289189.db2.gz HUHDKOJCRQGJKH-QMMMGPOBSA-N 0 3 168.240 0.313 20 0 ACADHN CN1CCC[C@@H]1C(=O)N1CCC1 166779071 344289472 /nfs/dbraw/zinc/28/94/72/344289472.db2.gz HUHDKOJCRQGJKH-MRVPVSSYSA-N 0 3 168.240 0.313 20 0 ACADHN C[C@@H](N)c1cn(-c2ccn(C)n2)nn1 167091038 344297155 /nfs/dbraw/zinc/29/71/55/344297155.db2.gz QPXAHIHRCWYRIM-ZCFIWIBFSA-N 0 3 192.226 0.021 20 0 ACADHN C[C@H](N)c1cn(-c2ccn(C)n2)nn1 167090928 344297221 /nfs/dbraw/zinc/29/72/21/344297221.db2.gz QPXAHIHRCWYRIM-LURJTMIESA-N 0 3 192.226 0.021 20 0 ACADHN C[C@H](N)c1cn(CCF)nn1 167112243 344297316 /nfs/dbraw/zinc/29/73/16/344297316.db2.gz RGIXQPGVTLGNPT-YFKPBYRVSA-N 0 3 158.180 0.267 20 0 ACADHN C[C@@H](N)c1cn(CCF)nn1 167112345 344297456 /nfs/dbraw/zinc/29/74/56/344297456.db2.gz RGIXQPGVTLGNPT-RXMQYKEDSA-N 0 3 158.180 0.267 20 0 ACADHN CC(C)n1cc([C@@H](C)N)nn1 167121622 344297716 /nfs/dbraw/zinc/29/77/16/344297716.db2.gz PLACVJNEVHWHIO-ZCFIWIBFSA-N 0 3 154.217 0.879 20 0 ACADHN CCn1cc([C@H](C)N)nn1 167122338 344297727 /nfs/dbraw/zinc/29/77/27/344297727.db2.gz UBQBOKVUMDZBQX-YFKPBYRVSA-N 0 3 140.190 0.318 20 0 ACADHN CCCn1cc([C@@H](C)N)nn1 167132189 344297742 /nfs/dbraw/zinc/29/77/42/344297742.db2.gz XVZWUCRBNNUURM-ZCFIWIBFSA-N 0 3 154.217 0.708 20 0 ACADHN C[C@@H](N)c1cn(CC2CC2)nn1 167130077 344297863 /nfs/dbraw/zinc/29/78/63/344297863.db2.gz BDBSRSASYPAANX-ZCFIWIBFSA-N 0 3 166.228 0.708 20 0 ACADHN CC(C)n1cc([C@H](C)N)nn1 167121728 344297896 /nfs/dbraw/zinc/29/78/96/344297896.db2.gz PLACVJNEVHWHIO-LURJTMIESA-N 0 3 154.217 0.879 20 0 ACADHN CCn1cc([C@@H](C)N)nn1 167122274 344297903 /nfs/dbraw/zinc/29/79/03/344297903.db2.gz UBQBOKVUMDZBQX-RXMQYKEDSA-N 0 3 140.190 0.318 20 0 ACADHN C[C@H](N)c1cn(CC2CC2)nn1 167130000 344297946 /nfs/dbraw/zinc/29/79/46/344297946.db2.gz BDBSRSASYPAANX-LURJTMIESA-N 0 3 166.228 0.708 20 0 ACADHN CCCn1cc([C@H](C)N)nn1 167132296 344297978 /nfs/dbraw/zinc/29/79/78/344297978.db2.gz XVZWUCRBNNUURM-LURJTMIESA-N 0 3 154.217 0.708 20 0 ACADHN CC(C)NC(=O)[C@H]1C[C@H](C)CCN1 167366438 344303337 /nfs/dbraw/zinc/30/33/37/344303337.db2.gz SZYNJBWCIHVNLB-RKDXNWHRSA-N 0 3 184.283 0.899 20 0 ACADHN CCCNC(=O)[C@@H]1C[C@@H](C)CCN1 167363879 344303435 /nfs/dbraw/zinc/30/34/35/344303435.db2.gz HCKOIHOARPVARV-IUCAKERBSA-N 0 3 184.283 0.901 20 0 ACADHN C[C@@H]1CCN[C@@H](C(=O)NC2CC2)C1 167368651 344303454 /nfs/dbraw/zinc/30/34/54/344303454.db2.gz PDOZSMQYQTWOLD-VXNVDRBHSA-N 0 3 182.267 0.653 20 0 ACADHN C[C@H]1CCN[C@H](C(=O)NC2CC2)C1 167368553 344303457 /nfs/dbraw/zinc/30/34/57/344303457.db2.gz PDOZSMQYQTWOLD-CBAPKCEASA-N 0 3 182.267 0.653 20 0 ACADHN CC(C)NC(=O)[C@H]1C[C@@H](C)CCN1 167366541 344303485 /nfs/dbraw/zinc/30/34/85/344303485.db2.gz SZYNJBWCIHVNLB-DTWKUNHWSA-N 0 3 184.283 0.899 20 0 ACADHN CCCNC(=O)[C@H]1C[C@H](C)CCN1 167363777 344303497 /nfs/dbraw/zinc/30/34/97/344303497.db2.gz HCKOIHOARPVARV-RKDXNWHRSA-N 0 3 184.283 0.901 20 0 ACADHN C[C@@H]1CCN[C@H](C(=O)NC2CC2)C1 167368440 344303511 /nfs/dbraw/zinc/30/35/11/344303511.db2.gz PDOZSMQYQTWOLD-APPZFPTMSA-N 0 3 182.267 0.653 20 0 ACADHN C[C@@H]1CCN[C@@H](C(=O)N2CCCC2)C1 167362594 344303585 /nfs/dbraw/zinc/30/35/85/344303585.db2.gz SCAPCKCSJJIHRS-NXEZZACHSA-N 0 3 196.294 0.997 20 0 ACADHN CC(C)NC(=O)[C@@H]1C[C@H](C)CCN1 167366218 344303588 /nfs/dbraw/zinc/30/35/88/344303588.db2.gz SZYNJBWCIHVNLB-BDAKNGLRSA-N 0 3 184.283 0.899 20 0 ACADHN C[C@@H]1CCN[C@H](C(=O)N2CCCC2)C1 167362386 344303631 /nfs/dbraw/zinc/30/36/31/344303631.db2.gz SCAPCKCSJJIHRS-ZJUUUORDSA-N 0 3 196.294 0.997 20 0 ACADHN C[C@H]1CCN[C@@H](C(=O)N2CCCC2)C1 167362705 344303642 /nfs/dbraw/zinc/30/36/42/344303642.db2.gz SCAPCKCSJJIHRS-VHSXEESVSA-N 0 3 196.294 0.997 20 0 ACADHN C[C@@H]1CCN[C@H](C(=O)NCC2CC2)C1 167373159 344303877 /nfs/dbraw/zinc/30/38/77/344303877.db2.gz GEPOJZRBQPSFHZ-SCZZXKLOSA-N 0 3 196.294 0.901 20 0 ACADHN C[C@@H]1CCN[C@H](C(=O)N(C)C2CC2)C1 167389276 344303889 /nfs/dbraw/zinc/30/38/89/344303889.db2.gz TUYWXIKNAYCNHX-SCZZXKLOSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1CCN[C@H](C(=O)N(C)C2CC2)C1 167389389 344303900 /nfs/dbraw/zinc/30/39/00/344303900.db2.gz TUYWXIKNAYCNHX-WPRPVWTQSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1CCN[C@H](C(=O)NCC2CC2)C1 167373268 344303937 /nfs/dbraw/zinc/30/39/37/344303937.db2.gz GEPOJZRBQPSFHZ-WPRPVWTQSA-N 0 3 196.294 0.901 20 0 ACADHN C[C@@H]1CCN[C@@H](C(=O)NCC2CC2)C1 167373384 344303940 /nfs/dbraw/zinc/30/39/40/344303940.db2.gz GEPOJZRBQPSFHZ-PSASIEDQSA-N 0 3 196.294 0.901 20 0 ACADHN C[C@@H]1CCN[C@@H](C(=O)N(C)C2CC2)C1 167389503 344303957 /nfs/dbraw/zinc/30/39/57/344303957.db2.gz TUYWXIKNAYCNHX-PSASIEDQSA-N 0 3 196.294 0.995 20 0 ACADHN CCN(C)C(=O)[C@@H]1C[C@@H](C)CCN1 167389047 344303960 /nfs/dbraw/zinc/30/39/60/344303960.db2.gz VBFKMELMXBKWFD-IUCAKERBSA-N 0 3 184.283 0.853 20 0 ACADHN CCN(C)C(=O)[C@@H]1C[C@H](C)CCN1 167388831 344303983 /nfs/dbraw/zinc/30/39/83/344303983.db2.gz VBFKMELMXBKWFD-BDAKNGLRSA-N 0 3 184.283 0.853 20 0 ACADHN CCN(C)C(=O)[C@H]1C[C@@H](C)CCN1 167389161 344304039 /nfs/dbraw/zinc/30/40/39/344304039.db2.gz VBFKMELMXBKWFD-DTWKUNHWSA-N 0 3 184.283 0.853 20 0 ACADHN C[C@H]1CCN[C@@H](C(=O)NCC2CC2)C1 167373480 344304047 /nfs/dbraw/zinc/30/40/47/344304047.db2.gz GEPOJZRBQPSFHZ-WCBMZHEXSA-N 0 3 196.294 0.901 20 0 ACADHN CON(C)C(=O)[C@H]1C[C@@H](C)CCN1 167422254 344304804 /nfs/dbraw/zinc/30/48/04/344304804.db2.gz FYKCDYBPWFOPCI-JGVFFNPUSA-N 0 3 186.255 0.394 20 0 ACADHN CON(C)C(=O)[C@@H]1C[C@H](C)CCN1 167421952 344304889 /nfs/dbraw/zinc/30/48/89/344304889.db2.gz FYKCDYBPWFOPCI-SFYZADRCSA-N 0 3 186.255 0.394 20 0 ACADHN CON(C)C(=O)[C@@H]1C[C@@H](C)CCN1 167422048 344305002 /nfs/dbraw/zinc/30/50/02/344305002.db2.gz FYKCDYBPWFOPCI-YUMQZZPRSA-N 0 3 186.255 0.394 20 0 ACADHN CCN1CCC(N2CCNC2=O)CC1 167630185 344309781 /nfs/dbraw/zinc/30/97/81/344309781.db2.gz LSKCRPFNWHMNNM-UHFFFAOYSA-N 0 3 197.282 0.496 20 0 ACADHN CN1CCCC[C@H]1C(=O)N1CCC1 168024709 344319007 /nfs/dbraw/zinc/31/90/07/344319007.db2.gz YRIIAKSVBBSIIL-VIFPVBQESA-N 0 3 182.267 0.703 20 0 ACADHN CN(C)C(=O)[C@@H]1CCCCN1C 168084561 344320450 /nfs/dbraw/zinc/32/04/50/344320450.db2.gz RUYFYIFEBAALHT-QMMMGPOBSA-N 0 3 170.256 0.559 20 0 ACADHN CC1(C)[C@@H](O)C[C@@H]1NCCF 168207687 344324750 /nfs/dbraw/zinc/32/47/50/344324750.db2.gz MXRBAZDWRSKDQP-BQBZGAKWSA-N 0 3 161.220 0.705 20 0 ACADHN CC1(C)[C@H](O)C[C@H]1NCCF 168207783 344324759 /nfs/dbraw/zinc/32/47/59/344324759.db2.gz MXRBAZDWRSKDQP-RNFRBKRXSA-N 0 3 161.220 0.705 20 0 ACADHN CC1(C)[C@@H](O)C[C@H]1NCCF 168207586 344324896 /nfs/dbraw/zinc/32/48/96/344324896.db2.gz MXRBAZDWRSKDQP-RQJHMYQMSA-N 0 3 161.220 0.705 20 0 ACADHN CC1(C)[C@@H](NCCF)C[C@H]1O 168207898 344325026 /nfs/dbraw/zinc/32/50/26/344325026.db2.gz MXRBAZDWRSKDQP-NKWVEPMBSA-N 0 3 161.220 0.705 20 0 ACADHN CC(=O)N[C@@H]1CCN(C(C)C)C1 168334075 344328274 /nfs/dbraw/zinc/32/82/74/344328274.db2.gz OTZJWUNRDVFDAM-SECBINFHSA-N 0 3 170.256 0.605 20 0 ACADHN CCN(C)C(C)(C)C(N)=O 168327402 344328533 /nfs/dbraw/zinc/32/85/33/344328533.db2.gz ZIRSSKHYXJEIPS-UHFFFAOYSA-N 0 3 144.218 0.202 20 0 ACADHN CC(=O)N[C@H]1CCN(C(C)C)C1 168333978 344328698 /nfs/dbraw/zinc/32/86/98/344328698.db2.gz OTZJWUNRDVFDAM-VIFPVBQESA-N 0 3 170.256 0.605 20 0 ACADHN NCC1(c2nc(C3CC3)no2)CC1 168627748 344333826 /nfs/dbraw/zinc/33/38/26/344333826.db2.gz YIROTTLBZMFBAR-UHFFFAOYSA-N 0 3 179.223 0.937 20 0 ACADHN CN(C)C(=O)c1ccc2c(c1)CNC2 169147475 344346872 /nfs/dbraw/zinc/34/68/72/344346872.db2.gz HQGPTVYATUOWHL-UHFFFAOYSA-N 0 3 190.246 0.992 20 0 ACADHN CC(C)N(C)CC(=O)N(C)C 200182889 344362833 /nfs/dbraw/zinc/36/28/33/344362833.db2.gz CEXDDIZCKZNVNH-UHFFFAOYSA-N 0 3 158.245 0.415 20 0 ACADHN NC(=O)[C@H]1CN(C2CCCC2)CCO1 201188692 344364718 /nfs/dbraw/zinc/36/47/18/344364718.db2.gz QJDMQLZEXGYRTN-SECBINFHSA-N 0 3 198.266 0.115 20 0 ACADHN NC(=O)[C@@H]1CN(C2CCCC2)CCO1 201188657 344364901 /nfs/dbraw/zinc/36/49/01/344364901.db2.gz QJDMQLZEXGYRTN-VIFPVBQESA-N 0 3 198.266 0.115 20 0 ACADHN CNC(=O)NCCN1CCC[C@H](C)C1 201326556 344365250 /nfs/dbraw/zinc/36/52/50/344365250.db2.gz VJWQAZCLDJNZOU-VIFPVBQESA-N 0 3 199.298 0.647 20 0 ACADHN CNC(=O)NCCN1CCC[C@@H](C)C1 201326523 344365264 /nfs/dbraw/zinc/36/52/64/344365264.db2.gz VJWQAZCLDJNZOU-SECBINFHSA-N 0 3 199.298 0.647 20 0 ACADHN CCN(C)C(=O)[C@@H]1CCCN1C 201984478 344366182 /nfs/dbraw/zinc/36/61/82/344366182.db2.gz NGWVOFOCOHAJOJ-QMMMGPOBSA-N 0 3 170.256 0.559 20 0 ACADHN CNC(=O)CN(C)CC(C)(C)C 202001793 344366235 /nfs/dbraw/zinc/36/62/35/344366235.db2.gz OZWMVTRMHTXECM-UHFFFAOYSA-N 0 3 172.272 0.710 20 0 ACADHN CCCN1CCC[C@H]1C(=O)N(C)C 202395614 344366773 /nfs/dbraw/zinc/36/67/73/344366773.db2.gz VFGPAPZYXVVLDL-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN CCCN1CCC[C@@H]1C(=O)N(C)C 202395592 344366808 /nfs/dbraw/zinc/36/68/08/344366808.db2.gz VFGPAPZYXVVLDL-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CC(C)N1CC[C@H](NC(N)=O)C1 202810500 344367801 /nfs/dbraw/zinc/36/78/01/344367801.db2.gz QGWJLETZEBSCSV-ZETCQYMHSA-N 0 3 171.244 0.137 20 0 ACADHN CN(C)c1cncn1C 204244589 344369433 /nfs/dbraw/zinc/36/94/33/344369433.db2.gz WPVSNFNDOUAGJK-UHFFFAOYSA-N 0 3 125.175 0.486 20 0 ACADHN C[C@@H](N)C(=O)N1CCC(F)(F)C1 205268376 344371034 /nfs/dbraw/zinc/37/10/34/344371034.db2.gz HJBPXEWCUZBNMR-RXMQYKEDSA-N 0 3 178.182 0.201 20 0 ACADHN C[C@H](N)C(=O)N1CCC(F)(F)C1 205268360 344371142 /nfs/dbraw/zinc/37/11/42/344371142.db2.gz HJBPXEWCUZBNMR-YFKPBYRVSA-N 0 3 178.182 0.201 20 0 ACADHN CC(=O)N1CCC[C@H]2CN(C)C[C@H]21 208239186 344376681 /nfs/dbraw/zinc/37/66/81/344376681.db2.gz VASAHDDBYINUPF-VHSXEESVSA-N 0 3 182.267 0.559 20 0 ACADHN CC(C)N1CC[C@@H](NC(N)=O)C1 208939495 344376697 /nfs/dbraw/zinc/37/66/97/344376697.db2.gz QGWJLETZEBSCSV-SSDOTTSWSA-N 0 3 171.244 0.137 20 0 ACADHN Cc1ccnc(NC(=O)[C@H]2CCN2)c1 211867247 344379072 /nfs/dbraw/zinc/37/90/72/344379072.db2.gz LSSODJNBNWXCKG-MRVPVSSYSA-N 0 3 191.234 0.690 20 0 ACADHN O=C(Nc1ccc(F)cn1)[C@H]1CCN1 211860753 344379136 /nfs/dbraw/zinc/37/91/36/344379136.db2.gz WYOYMRFKHMLJGD-SSDOTTSWSA-N 0 3 195.197 0.521 20 0 ACADHN Cc1ccc(NC(=O)[C@H]2CCN2)nc1 211864747 344379191 /nfs/dbraw/zinc/37/91/91/344379191.db2.gz MFAQCHSBSVLVHC-MRVPVSSYSA-N 0 3 191.234 0.690 20 0 ACADHN NCCn1nc(C2CC2)ccc1=O 212818174 344380408 /nfs/dbraw/zinc/38/04/08/344380408.db2.gz SADAIPCZVMVQJB-UHFFFAOYSA-N 0 3 179.223 0.079 20 0 ACADHN c1cc2c(cc1OC1CNC1)CCO2 213525299 344381252 /nfs/dbraw/zinc/38/12/52/344381252.db2.gz GYMGSALENGDSQV-UHFFFAOYSA-N 0 3 191.230 0.972 20 0 ACADHN COc1ncc(C)cc1CN 214951071 344384405 /nfs/dbraw/zinc/38/44/05/344384405.db2.gz ZADJIWDMTRZVQP-UHFFFAOYSA-N 0 3 152.197 0.857 20 0 ACADHN CC(C)[C@@H](C)[C@@H](N)C(N)=O 215286509 344387730 /nfs/dbraw/zinc/38/77/30/344387730.db2.gz CTSRJDPIGALKAD-PHDIDXHHSA-N 0 3 144.218 0.091 20 0 ACADHN CCC(=O)[C@H](N)C1CC1 215252442 344387734 /nfs/dbraw/zinc/38/77/34/344387734.db2.gz MHCDXCDUHMGWJL-SSDOTTSWSA-N 0 3 127.187 0.703 20 0 ACADHN CC(C)[C@H](C)[C@H](N)C(N)=O 215286467 344387746 /nfs/dbraw/zinc/38/77/46/344387746.db2.gz CTSRJDPIGALKAD-WDSKDSINSA-N 0 3 144.218 0.091 20 0 ACADHN CC(C)[C@@H](C)[C@H](N)C(N)=O 215286424 344387751 /nfs/dbraw/zinc/38/77/51/344387751.db2.gz CTSRJDPIGALKAD-RITPCOANSA-N 0 3 144.218 0.091 20 0 ACADHN CC(C)[C@H](C)[C@@H](N)C(N)=O 215286556 344387846 /nfs/dbraw/zinc/38/78/46/344387846.db2.gz CTSRJDPIGALKAD-NTSWFWBYSA-N 0 3 144.218 0.091 20 0 ACADHN NC(=O)[C@@H](N)CC1CC=CC1 215300526 344388222 /nfs/dbraw/zinc/38/82/22/344388222.db2.gz TXKTUKFKMOFQEZ-ZETCQYMHSA-N 0 3 154.213 0.155 20 0 ACADHN NC(=O)[C@H](N)CC1CC=CC1 215300573 344388387 /nfs/dbraw/zinc/38/83/87/344388387.db2.gz TXKTUKFKMOFQEZ-SSDOTTSWSA-N 0 3 154.213 0.155 20 0 ACADHN CNC(=O)NC[C@H]1CCCN1C 221170807 344439108 /nfs/dbraw/zinc/43/91/08/344439108.db2.gz HYXHNYSBSHRKJW-SSDOTTSWSA-N 0 3 171.244 0.010 20 0 ACADHN C[C@H](O)[C@H](C)N1CCN(C)[C@@H](C)C1 216594420 344398541 /nfs/dbraw/zinc/39/85/41/344398541.db2.gz GIYJUKLFQUOORA-GUBZILKMSA-N 0 3 186.299 0.392 20 0 ACADHN CC[C@H](O)CN1CCN(C)[C@@H](C)C1 216587537 344398828 /nfs/dbraw/zinc/39/88/28/344398828.db2.gz TXRYGAKPSRTEBL-UWVGGRQHSA-N 0 3 186.299 0.393 20 0 ACADHN C[C@H](O)[C@@H](C)N1CCN(C)[C@@H](C)C1 216594372 344398837 /nfs/dbraw/zinc/39/88/37/344398837.db2.gz GIYJUKLFQUOORA-AEJSXWLSSA-N 0 3 186.299 0.392 20 0 ACADHN C[C@H](O)CCN1CCN(C)[C@@H](C)C1 216594059 344398846 /nfs/dbraw/zinc/39/88/46/344398846.db2.gz KTUXSGRNYDEZMA-UWVGGRQHSA-N 0 3 186.299 0.393 20 0 ACADHN C[C@H]1C[C@@H](C)CN([C@H](C)C(N)=O)C1 217845052 344406724 /nfs/dbraw/zinc/40/67/24/344406724.db2.gz NEMZPKYPNPZWHB-HRDYMLBCSA-N 0 3 184.283 0.838 20 0 ACADHN N[C@H]1CCN(C2CC2)C[C@H]1F 218520005 344413324 /nfs/dbraw/zinc/41/33/24/344413324.db2.gz NMNDGFBFFKGLQG-SFYZADRCSA-N 0 3 158.220 0.520 20 0 ACADHN COC(=O)N1CCN[C@H](C)[C@H]1C 218856622 344417129 /nfs/dbraw/zinc/41/71/29/344417129.db2.gz MJYANCKUSLTOMI-RNFRBKRXSA-N 0 3 172.228 0.435 20 0 ACADHN COC(=O)N1CCN[C@@H](C)[C@H]1C 218856696 344417312 /nfs/dbraw/zinc/41/73/12/344417312.db2.gz MJYANCKUSLTOMI-NKWVEPMBSA-N 0 3 172.228 0.435 20 0 ACADHN COC(=O)N1CCN[C@@H](C)[C@@H]1C 218856541 344417446 /nfs/dbraw/zinc/41/74/46/344417446.db2.gz MJYANCKUSLTOMI-BQBZGAKWSA-N 0 3 172.228 0.435 20 0 ACADHN COC(=O)N1CCN[C@H](C)[C@@H]1C 218856474 344417536 /nfs/dbraw/zinc/41/75/36/344417536.db2.gz MJYANCKUSLTOMI-RQJHMYQMSA-N 0 3 172.228 0.435 20 0 ACADHN COCCN(C)CCOC(C)C 218882947 344417980 /nfs/dbraw/zinc/41/79/80/344417980.db2.gz MPQGXZCKOXCWHO-UHFFFAOYSA-N 0 3 175.272 0.990 20 0 ACADHN CC(=O)NC[C@@H](C)N(C)C1CC1 219348442 344422813 /nfs/dbraw/zinc/42/28/13/344422813.db2.gz IENDTBGGGRZVKL-SSDOTTSWSA-N 0 3 170.256 0.605 20 0 ACADHN CCC(=O)NC[C@H](C)N(C)C1CC1 219347567 344422829 /nfs/dbraw/zinc/42/28/29/344422829.db2.gz VAKMAMAIDYVTRC-QMMMGPOBSA-N 0 3 184.283 0.995 20 0 ACADHN C[C@@H](CNC(=O)C1CC1)N(C)C1CC1 219347665 344422870 /nfs/dbraw/zinc/42/28/70/344422870.db2.gz GOCPIPQEODEYOU-QMMMGPOBSA-N 0 3 196.294 0.995 20 0 ACADHN CCC(=O)NC[C@@H](C)N(C)C1CC1 219347498 344422978 /nfs/dbraw/zinc/42/29/78/344422978.db2.gz VAKMAMAIDYVTRC-MRVPVSSYSA-N 0 3 184.283 0.995 20 0 ACADHN CC(=O)NC[C@H](C)N(C)C1CC1 219348520 344423179 /nfs/dbraw/zinc/42/31/79/344423179.db2.gz IENDTBGGGRZVKL-ZETCQYMHSA-N 0 3 170.256 0.605 20 0 ACADHN C[C@H](CNC(=O)C1CC1)N(C)C1CC1 219347738 344423245 /nfs/dbraw/zinc/42/32/45/344423245.db2.gz GOCPIPQEODEYOU-MRVPVSSYSA-N 0 3 196.294 0.995 20 0 ACADHN CCNC(=O)NC[C@@H](C)N(C)C1CC1 219410821 344423571 /nfs/dbraw/zinc/42/35/71/344423571.db2.gz DNPWQHPVDVAFOP-MRVPVSSYSA-N 0 3 199.298 0.788 20 0 ACADHN CNC(=O)NC[C@@H](C)N(C)C1CC1 219410627 344423585 /nfs/dbraw/zinc/42/35/85/344423585.db2.gz JBKRKPYKOWVBCK-SSDOTTSWSA-N 0 3 185.271 0.398 20 0 ACADHN CNC(=O)NC[C@H](C)N(C)C1CC1 219410698 344423626 /nfs/dbraw/zinc/42/36/26/344423626.db2.gz JBKRKPYKOWVBCK-ZETCQYMHSA-N 0 3 185.271 0.398 20 0 ACADHN CCNC(=O)NC[C@H](C)N(C)C1CC1 219410912 344423645 /nfs/dbraw/zinc/42/36/45/344423645.db2.gz DNPWQHPVDVAFOP-QMMMGPOBSA-N 0 3 199.298 0.788 20 0 ACADHN CC(C)NC(=O)[C@@]1(F)CCNC1 219453228 344424070 /nfs/dbraw/zinc/42/40/70/344424070.db2.gz WRSUOLXHBRDKTB-MRVPVSSYSA-N 0 3 174.219 0.213 20 0 ACADHN C[C@@H](CNC(=O)N(C)C)N(C)C1CC1 219461985 344424036 /nfs/dbraw/zinc/42/40/36/344424036.db2.gz PDXDXYGMCYQBIQ-QMMMGPOBSA-N 0 3 199.298 0.740 20 0 ACADHN C[C@H](CNC(=O)N(C)C)N(C)C1CC1 219462070 344424050 /nfs/dbraw/zinc/42/40/50/344424050.db2.gz PDXDXYGMCYQBIQ-MRVPVSSYSA-N 0 3 199.298 0.740 20 0 ACADHN CC(C)NC(=O)[C@]1(F)CCNC1 219453151 344424115 /nfs/dbraw/zinc/42/41/15/344424115.db2.gz WRSUOLXHBRDKTB-QMMMGPOBSA-N 0 3 174.219 0.213 20 0 ACADHN C[C@@H]1NCCN(C(=O)C2CCC2)[C@H]1C 219559548 344425079 /nfs/dbraw/zinc/42/50/79/344425079.db2.gz QBDYROYQKFUFPV-IUCAKERBSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@@H]1NCCN(C(=O)C2CCC2)[C@@H]1C 219559706 344425163 /nfs/dbraw/zinc/42/51/63/344425163.db2.gz QBDYROYQKFUFPV-DTWKUNHWSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1[C@@H](C)NCCN1C(=O)C1CCC1 219559467 344425183 /nfs/dbraw/zinc/42/51/83/344425183.db2.gz QBDYROYQKFUFPV-BDAKNGLRSA-N 0 3 196.294 0.995 20 0 ACADHN O=C(N1CCCC1)[C@]1(F)CCNC1 219662218 344426695 /nfs/dbraw/zinc/42/66/95/344426695.db2.gz BFIIKPAUNCVAHI-VIFPVBQESA-N 0 3 186.230 0.310 20 0 ACADHN O=C(NC1CCC1)[C@]1(F)CCNC1 219662052 344426975 /nfs/dbraw/zinc/42/69/75/344426975.db2.gz QZVOQSKGTUNMFI-VIFPVBQESA-N 0 3 186.230 0.357 20 0 ACADHN O=C(N1CCCC1)[C@@]1(F)CCNC1 219662310 344427073 /nfs/dbraw/zinc/42/70/73/344427073.db2.gz BFIIKPAUNCVAHI-SECBINFHSA-N 0 3 186.230 0.310 20 0 ACADHN O=C(NC1CCC1)[C@@]1(F)CCNC1 219662128 344427115 /nfs/dbraw/zinc/42/71/15/344427115.db2.gz QZVOQSKGTUNMFI-SECBINFHSA-N 0 3 186.230 0.357 20 0 ACADHN O=C(Nc1ccccc1[O-])[C@H]1CC[NH2+]1 219768971 344427494 /nfs/dbraw/zinc/42/74/94/344427494.db2.gz ZOMGRWHGQSFQMP-MRVPVSSYSA-N 0 3 192.218 0.693 20 0 ACADHN O=C(Nc1ccccc1O)[C@H]1CCN1 219768971 344427496 /nfs/dbraw/zinc/42/74/96/344427496.db2.gz ZOMGRWHGQSFQMP-MRVPVSSYSA-N 0 3 192.218 0.693 20 0 ACADHN CN1CCC(CC(=O)N2CCC2)CC1 220392010 344432163 /nfs/dbraw/zinc/43/21/63/344432163.db2.gz SPOPQBXNSRDQGT-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN CCN1C[C@H](OC)[C@H](OC)C1 220737989 344434715 /nfs/dbraw/zinc/43/47/15/344434715.db2.gz YZZGRNHMTPPFMZ-OCAPTIKFSA-N 0 3 159.229 0.352 20 0 ACADHN COCCN1C[C@H](C)N(C)[C@H](C)C1 220810657 344435798 /nfs/dbraw/zinc/43/57/98/344435798.db2.gz UTPUSGYFCZWGBT-AOOOYVTPSA-N 0 3 186.299 0.657 20 0 ACADHN C=CC(=O)NC[C@H]1CCCN1C 220831731 344435955 /nfs/dbraw/zinc/43/59/55/344435955.db2.gz DAJNLEOBWNYUNF-MRVPVSSYSA-N 0 3 168.240 0.383 20 0 ACADHN CNC(=S)NC[C@H]1CCCN1C 221252539 344440682 /nfs/dbraw/zinc/44/06/82/344440682.db2.gz GAJQOTLBUCNZRW-SSDOTTSWSA-N 0 3 187.312 0.175 20 0 ACADHN CC(C)NC(=O)NC[C@H]1CCCN1C 221259794 344440752 /nfs/dbraw/zinc/44/07/52/344440752.db2.gz UCVYFGWWLHNZIO-SECBINFHSA-N 0 3 199.298 0.788 20 0 ACADHN CCCC(=O)NC[C@H]1CCCN1C 221247737 344440796 /nfs/dbraw/zinc/44/07/96/344440796.db2.gz OKCFYZUAELPCHE-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CC1(C)C[C@@H]1C(=O)N1CCCNCC1 221278060 344441302 /nfs/dbraw/zinc/44/13/02/344441302.db2.gz ZWMXWBGIKCBFIS-SECBINFHSA-N 0 3 196.294 0.854 20 0 ACADHN CN1CCN(CC2(O)CCC2)CC1 221345920 344442053 /nfs/dbraw/zinc/44/20/53/344442053.db2.gz SBKRPIOVPCJAEI-UHFFFAOYSA-N 0 3 184.283 0.149 20 0 ACADHN COCCN1CC[C@@H](C)[C@@H](O)C1 221425562 344442709 /nfs/dbraw/zinc/44/27/09/344442709.db2.gz CMEYDATYCFWUGD-BDAKNGLRSA-N 0 3 173.256 0.336 20 0 ACADHN COCCN1CC[C@H](C)[C@@H](O)C1 221425612 344442930 /nfs/dbraw/zinc/44/29/30/344442930.db2.gz CMEYDATYCFWUGD-IUCAKERBSA-N 0 3 173.256 0.336 20 0 ACADHN CCN1CC[C@H]2[C@@H](C1)NC(=O)N2C 221426618 344443326 /nfs/dbraw/zinc/44/33/26/344443326.db2.gz GKZPUUMLKQEVGT-SFYZADRCSA-N 0 3 183.255 0.104 20 0 ACADHN CCCNC(=O)NC[C@H]1CCCN1C 221438072 344443499 /nfs/dbraw/zinc/44/34/99/344443499.db2.gz UMYMTSJSQZVZIT-SECBINFHSA-N 0 3 199.298 0.790 20 0 ACADHN CNC1(C(=O)N(C)C)CCC1 221524233 344444545 /nfs/dbraw/zinc/44/45/45/344444545.db2.gz QBDLBIHWVAJLPX-UHFFFAOYSA-N 0 3 156.229 0.217 20 0 ACADHN C[C@H](CNC(N)=O)N(C)C1CC1 221985562 344447901 /nfs/dbraw/zinc/44/79/01/344447901.db2.gz RYBDRHAIVJZXRI-ZCFIWIBFSA-N 0 3 171.244 0.137 20 0 ACADHN C[C@@H](CNC(N)=O)N(C)C1CC1 221985514 344447936 /nfs/dbraw/zinc/44/79/36/344447936.db2.gz RYBDRHAIVJZXRI-LURJTMIESA-N 0 3 171.244 0.137 20 0 ACADHN CCCOCC(=O)NCCN(C)C 222216219 344450475 /nfs/dbraw/zinc/45/04/75/344450475.db2.gz YUJMQUJLXPAQOP-UHFFFAOYSA-N 0 3 188.271 0.091 20 0 ACADHN C[C@@H](N[C@@H]1CCOC1)c1cn[nH]c1 222483216 344452529 /nfs/dbraw/zinc/45/25/29/344452529.db2.gz NRJSPSXXRAZPNN-VXNVDRBHSA-N 0 3 181.239 0.849 20 0 ACADHN C[C@H](N[C@@H]1CCOC1)c1cn[nH]c1 222483272 344452582 /nfs/dbraw/zinc/45/25/82/344452582.db2.gz NRJSPSXXRAZPNN-IONNQARKSA-N 0 3 181.239 0.849 20 0 ACADHN CCN1C[C@H](C)N(C(C)=O)[C@H](C)C1 222557267 344453695 /nfs/dbraw/zinc/45/36/95/344453695.db2.gz KYOKDMZZXCQYDD-DTORHVGOSA-N 0 3 184.283 0.947 20 0 ACADHN CN1CCCC[C@@H]1C(=O)N1CCC1 223219377 344458221 /nfs/dbraw/zinc/45/82/21/344458221.db2.gz YRIIAKSVBBSIIL-SECBINFHSA-N 0 3 182.267 0.703 20 0 ACADHN C[C@H]1CN(CCCCO)[C@@H](C)CO1 223239180 344458631 /nfs/dbraw/zinc/45/86/31/344458631.db2.gz XRBIYUXIPXTAKS-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@H]1CO[C@H](C)CN1CCCCO 223239120 344458769 /nfs/dbraw/zinc/45/87/69/344458769.db2.gz XRBIYUXIPXTAKS-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H]1CCSC1 225286928 344479620 /nfs/dbraw/zinc/47/96/20/344479620.db2.gz RVGICEFFSWWSAU-RNFRBKRXSA-N 0 3 188.296 0.345 20 0 ACADHN CCc1ccc(CNC(=O)CN)s1 224036974 344465473 /nfs/dbraw/zinc/46/54/73/344465473.db2.gz MFGIKMAOEHSDNW-UHFFFAOYSA-N 0 3 198.291 0.885 20 0 ACADHN CCC(=O)N1CC[C@]2(CCN(C)C2)C1 224133642 344466240 /nfs/dbraw/zinc/46/62/40/344466240.db2.gz HPYVSABNTRQMFA-NSHDSACASA-N 0 3 196.294 0.951 20 0 ACADHN CCC(=O)N1CC[C@@]2(CCN(C)C2)C1 224133689 344466483 /nfs/dbraw/zinc/46/64/83/344466483.db2.gz HPYVSABNTRQMFA-LLVKDONJSA-N 0 3 196.294 0.951 20 0 ACADHN C1COC[C@H](OC2CNC2)C1 224922890 344474498 /nfs/dbraw/zinc/47/44/98/344474498.db2.gz MJZMBZQUMMBEHW-SSDOTTSWSA-N 0 3 157.213 0.154 20 0 ACADHN C1COC[C@@H](OC2CNC2)C1 224922930 344474819 /nfs/dbraw/zinc/47/48/19/344474819.db2.gz MJZMBZQUMMBEHW-ZETCQYMHSA-N 0 3 157.213 0.154 20 0 ACADHN O=C1CCCN1CCN1CCCC1 225095563 344476095 /nfs/dbraw/zinc/47/60/95/344476095.db2.gz UCRRLQVIOCQQOZ-UHFFFAOYSA-N 0 3 182.267 0.705 20 0 ACADHN CC[C@@H](O)CN1C[C@@H](C)OC[C@@H]1C 225111800 344476707 /nfs/dbraw/zinc/47/67/07/344476707.db2.gz DUODQAKVLZMURH-IVZWLZJFSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H](O)CN1CCOC[C@@H]1CC 225112972 344476766 /nfs/dbraw/zinc/47/67/66/344476766.db2.gz NGCBFSCSPMNBAQ-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H](O)CN1C[C@@H](C)OC[C@@H]1C 225111836 344476910 /nfs/dbraw/zinc/47/69/10/344476910.db2.gz DUODQAKVLZMURH-AEJSXWLSSA-N 0 3 187.283 0.867 20 0 ACADHN CNC(=O)CN(C)C(C)C 225171134 344478138 /nfs/dbraw/zinc/47/81/38/344478138.db2.gz IPXDSOOXVMGCAK-UHFFFAOYSA-N 0 3 144.218 0.073 20 0 ACADHN CN1CCC[C@@H]1CNc1ncccn1 225230967 344478394 /nfs/dbraw/zinc/47/83/94/344478394.db2.gz RJUDWBDPTXHNIM-SECBINFHSA-N 0 3 192.266 0.983 20 0 ACADHN CC[C@@H](N)C(=O)N[C@H]1CCSC1 225286946 344479647 /nfs/dbraw/zinc/47/96/47/344479647.db2.gz RVGICEFFSWWSAU-NKWVEPMBSA-N 0 3 188.296 0.345 20 0 ACADHN C[C@H](N)C(=O)Nc1ccc(F)nc1 225376071 344480423 /nfs/dbraw/zinc/48/04/23/344480423.db2.gz KZWOGMXBDLGPOB-YFKPBYRVSA-N 0 3 183.186 0.506 20 0 ACADHN C[C@@H](N)C(=O)Nc1ccc(F)nc1 225376366 344480528 /nfs/dbraw/zinc/48/05/28/344480528.db2.gz KZWOGMXBDLGPOB-RXMQYKEDSA-N 0 3 183.186 0.506 20 0 ACADHN C[C@@H]1CCC[C@@H](CNC(=O)CN)C1 225396073 344480821 /nfs/dbraw/zinc/48/08/21/344480821.db2.gz VZLBBLJHCOYZFS-RKDXNWHRSA-N 0 3 184.283 0.888 20 0 ACADHN C[C@H]1CCC[C@H](CNC(=O)CN)C1 225396203 344481187 /nfs/dbraw/zinc/48/11/87/344481187.db2.gz VZLBBLJHCOYZFS-IUCAKERBSA-N 0 3 184.283 0.888 20 0 ACADHN C[C@H]1CCC[C@@H](CNC(=O)CN)C1 225396131 344481259 /nfs/dbraw/zinc/48/12/59/344481259.db2.gz VZLBBLJHCOYZFS-DTWKUNHWSA-N 0 3 184.283 0.888 20 0 ACADHN CC[C@@H]1C[C@H]1NC(=O)[C@@H](C)N 225464348 344481687 /nfs/dbraw/zinc/48/16/87/344481687.db2.gz WBEMBYHBAXWIPS-FSDSQADBSA-N 0 3 156.229 0.248 20 0 ACADHN C[C@@H](N)C(=O)NC[C@H]1CC1(C)C 225469819 344481711 /nfs/dbraw/zinc/48/17/11/344481711.db2.gz UGHVHIQQGCFHLB-RNFRBKRXSA-N 0 3 170.256 0.496 20 0 ACADHN CC[C@@H]1C[C@H]1NC(=O)C(C)(C)N 225463473 344481726 /nfs/dbraw/zinc/48/17/26/344481726.db2.gz YRSMOOGYIHQSRJ-RNFRBKRXSA-N 0 3 170.256 0.638 20 0 ACADHN CC(C)(N)C(=O)NC[C@H]1CC1(C)C 225468857 344481733 /nfs/dbraw/zinc/48/17/33/344481733.db2.gz GJCNYMNVFGMUSZ-SSDOTTSWSA-N 0 3 184.283 0.886 20 0 ACADHN C[C@H](N)C(=O)NC[C@@H]1CC1(C)C 225468746 344481794 /nfs/dbraw/zinc/48/17/94/344481794.db2.gz UGHVHIQQGCFHLB-BQBZGAKWSA-N 0 3 170.256 0.496 20 0 ACADHN CC1(C)C[C@H]1CNC(=O)CN 225469025 344481823 /nfs/dbraw/zinc/48/18/23/344481823.db2.gz WYIQXTAFGYUNOU-LURJTMIESA-N 0 3 156.229 0.107 20 0 ACADHN C[C@H](N)C(=O)NC[C@H]1CC1(C)C 225468779 344481862 /nfs/dbraw/zinc/48/18/62/344481862.db2.gz UGHVHIQQGCFHLB-NKWVEPMBSA-N 0 3 170.256 0.496 20 0 ACADHN CC1(C)C[C@@H]1CNC(=O)CN 225468989 344481925 /nfs/dbraw/zinc/48/19/25/344481925.db2.gz WYIQXTAFGYUNOU-ZCFIWIBFSA-N 0 3 156.229 0.107 20 0 ACADHN CC[C@@H]1C[C@H]1NC(=O)[C@H](C)N 225463323 344481951 /nfs/dbraw/zinc/48/19/51/344481951.db2.gz WBEMBYHBAXWIPS-RRKCRQDMSA-N 0 3 156.229 0.248 20 0 ACADHN CC(C)(N)C(=O)N[C@@H]1CCSC1 225488541 344482233 /nfs/dbraw/zinc/48/22/33/344482233.db2.gz LMUUYYQQWRKCNG-ZCFIWIBFSA-N 0 3 188.296 0.345 20 0 ACADHN CC(C)(N)C(=O)N[C@H]1CCSC1 225488573 344482562 /nfs/dbraw/zinc/48/25/62/344482562.db2.gz LMUUYYQQWRKCNG-LURJTMIESA-N 0 3 188.296 0.345 20 0 ACADHN C[C@@H](N)C(=O)NCC1(C)CC1 225526896 344483004 /nfs/dbraw/zinc/48/30/04/344483004.db2.gz WMVQQOXMNFXITI-ZCFIWIBFSA-N 0 3 156.229 0.250 20 0 ACADHN C[C@H](N)C(=O)NCC1(C)CC1 225526615 344483180 /nfs/dbraw/zinc/48/31/80/344483180.db2.gz WMVQQOXMNFXITI-LURJTMIESA-N 0 3 156.229 0.250 20 0 ACADHN CC[C@@H](O)CN1CCN(C)C[C@@H]1C 225915088 344489601 /nfs/dbraw/zinc/48/96/01/344489601.db2.gz NEARBXUUSZNEGD-VHSXEESVSA-N 0 3 186.299 0.393 20 0 ACADHN CC[C@H](O)CN1CCN(C)C[C@@H]1C 225915099 344489693 /nfs/dbraw/zinc/48/96/93/344489693.db2.gz NEARBXUUSZNEGD-UWVGGRQHSA-N 0 3 186.299 0.393 20 0 ACADHN CN1CCC[C@@H]1CNc1cnccn1 226103494 344492597 /nfs/dbraw/zinc/49/25/97/344492597.db2.gz RYEHVJXZXDHVDT-SECBINFHSA-N 0 3 192.266 0.983 20 0 ACADHN CCN(CCO)CCc1cnn(C)c1 226151437 344493027 /nfs/dbraw/zinc/49/30/27/344493027.db2.gz NJRQLJJTDXANMR-UHFFFAOYSA-N 0 3 197.282 0.277 20 0 ACADHN C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)CN 226195815 344494275 /nfs/dbraw/zinc/49/42/75/344494275.db2.gz GTLHTHGLTJGONL-VGMNWLOBSA-N 0 3 184.283 0.886 20 0 ACADHN Cn1cc(CN2CC[C@@](C)(O)C2)cn1 226203175 344494359 /nfs/dbraw/zinc/49/43/59/344494359.db2.gz URKTWTJOJGAJOX-SNVBAGLBSA-N 0 3 195.266 0.377 20 0 ACADHN Cn1cc(CN2CC[C@](C)(O)C2)cn1 226203185 344494441 /nfs/dbraw/zinc/49/44/41/344494441.db2.gz URKTWTJOJGAJOX-JTQLQIEISA-N 0 3 195.266 0.377 20 0 ACADHN C[C@H]1C[C@H](C)CC[C@H]1NC(=O)CN 226195795 344494576 /nfs/dbraw/zinc/49/45/76/344494576.db2.gz GTLHTHGLTJGONL-HRDYMLBCSA-N 0 3 184.283 0.886 20 0 ACADHN C[C@]1(O)CCN(CCn2cccn2)C1 226210244 344495170 /nfs/dbraw/zinc/49/51/70/344495170.db2.gz APEMBTZKHCNYTI-JTQLQIEISA-N 0 3 195.266 0.340 20 0 ACADHN C[C@@]1(O)CCN(CCn2cccn2)C1 226210237 344495283 /nfs/dbraw/zinc/49/52/83/344495283.db2.gz APEMBTZKHCNYTI-SNVBAGLBSA-N 0 3 195.266 0.340 20 0 ACADHN C[C@@H]1CCC[C@@H]([C@@H](N)C(N)=O)C1 226237502 344495833 /nfs/dbraw/zinc/49/58/33/344495833.db2.gz BERMKDJKJVXDOA-BWZBUEFSSA-N 0 3 170.256 0.625 20 0 ACADHN CO[C@@H]1CCC[C@@H]([C@@H](N)C(N)=O)C1 226237228 344495865 /nfs/dbraw/zinc/49/58/65/344495865.db2.gz VOILNQALAIKTHT-BWZBUEFSSA-N 0 3 186.255 0.004 20 0 ACADHN C[C@@H]1CCC[C@H]([C@@H](N)C(N)=O)C1 226237521 344495999 /nfs/dbraw/zinc/49/59/99/344495999.db2.gz BERMKDJKJVXDOA-GJMOJQLCSA-N 0 3 170.256 0.625 20 0 ACADHN CO[C@@H]1CCC[C@H]([C@@H](N)C(N)=O)C1 226237245 344496020 /nfs/dbraw/zinc/49/60/20/344496020.db2.gz VOILNQALAIKTHT-XLPZGREQSA-N 0 3 186.255 0.004 20 0 ACADHN C[C@H]1CC([C@@H](N)C(N)=O)C[C@H](C)C1 226237744 344496075 /nfs/dbraw/zinc/49/60/75/344496075.db2.gz IIQASSVVILIRMP-ZXFLCMHBSA-N 0 3 184.283 0.871 20 0 ACADHN C[C@H]1C[C@@H]([C@@H](N)C(N)=O)CC[C@H]1C 226237289 344496235 /nfs/dbraw/zinc/49/62/35/344496235.db2.gz VWNOQLIKUQZYJU-RYPBNFRJSA-N 0 3 184.283 0.871 20 0 ACADHN COC(=O)CCN1CC[C@](C)(O)C1 226271410 344496970 /nfs/dbraw/zinc/49/69/70/344496970.db2.gz ZVJMOCLPJWEWNC-VIFPVBQESA-N 0 3 187.239 0.006 20 0 ACADHN COC(=O)CCN1CC[C@@](C)(O)C1 226271402 344497106 /nfs/dbraw/zinc/49/71/06/344497106.db2.gz ZVJMOCLPJWEWNC-SECBINFHSA-N 0 3 187.239 0.006 20 0 ACADHN CCNCC(=O)Nc1ccc(F)nc1 226309925 344498544 /nfs/dbraw/zinc/49/85/44/344498544.db2.gz RCUFRKMQSZJTMC-UHFFFAOYSA-N 0 3 197.213 0.769 20 0 ACADHN CNCC(=O)Nc1ccc(F)nc1 226309904 344498622 /nfs/dbraw/zinc/49/86/22/344498622.db2.gz XXEHFTQOEDQZST-UHFFFAOYSA-N 0 3 183.186 0.379 20 0 ACADHN NC1(C(=O)N[C@@H]2CCSC2)CC1 226357142 344500279 /nfs/dbraw/zinc/50/02/79/344500279.db2.gz KVCZVEJWINMUBF-ZCFIWIBFSA-N 0 3 186.280 0.099 20 0 ACADHN CC1(C)C[C@@H]1CNC(=O)C1(N)CC1 226350809 344500485 /nfs/dbraw/zinc/50/04/85/344500485.db2.gz PPIJJITZOTZHKG-SSDOTTSWSA-N 0 3 182.267 0.640 20 0 ACADHN CC1(CNC(=O)C2(N)CC2)CC1 226372703 344500870 /nfs/dbraw/zinc/50/08/70/344500870.db2.gz JGOQJZSKUVLBKZ-UHFFFAOYSA-N 0 3 168.240 0.394 20 0 ACADHN NC1(C(=O)N[C@H]2CCSC2)CC1 226357148 344500992 /nfs/dbraw/zinc/50/09/92/344500992.db2.gz KVCZVEJWINMUBF-LURJTMIESA-N 0 3 186.280 0.099 20 0 ACADHN C[C@H](O)CN1CCSC[C@@H]1C 226397128 344501694 /nfs/dbraw/zinc/50/16/94/344501694.db2.gz VGBPPPOKMVPEGP-YUMQZZPRSA-N 0 3 175.297 0.805 20 0 ACADHN CNCC(=O)Nc1cncc(C)c1 226400597 344501770 /nfs/dbraw/zinc/50/17/70/344501770.db2.gz JROYEDMERLXOHS-UHFFFAOYSA-N 0 3 179.223 0.548 20 0 ACADHN Cc1cncc(NC(=O)C2(N)CC2)c1 226400061 344501903 /nfs/dbraw/zinc/50/19/03/344501903.db2.gz SQGCHKKWNXOFED-UHFFFAOYSA-N 0 3 191.234 0.820 20 0 ACADHN Cc1cncc(NC(=O)[C@@H](C)N)c1 226400627 344502007 /nfs/dbraw/zinc/50/20/07/344502007.db2.gz UJSMEGZCCHOHJX-SSDOTTSWSA-N 0 3 179.223 0.676 20 0 ACADHN NC(=O)C1(NC2CCCC2)CC1 226672773 344509984 /nfs/dbraw/zinc/50/99/84/344509984.db2.gz PODDNBHHMJJODT-UHFFFAOYSA-N 0 3 168.240 0.537 20 0 ACADHN C[C@H]1C[C@@H](NC(=O)[C@H](C)N)CCO1 226703171 344510750 /nfs/dbraw/zinc/51/07/50/344510750.db2.gz RVONGOKMDJKGMN-FXQIFTODSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H]1C[C@H](NC(=O)[C@@H](C)N)CCO1 226703153 344510815 /nfs/dbraw/zinc/51/08/15/344510815.db2.gz RVONGOKMDJKGMN-XLPZGREQSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H]1C[C@@H](NC(=O)[C@@H](C)N)CCO1 226703166 344510873 /nfs/dbraw/zinc/51/08/73/344510873.db2.gz RVONGOKMDJKGMN-RNJXMRFFSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H]1C[C@H](NC(=O)[C@H](C)N)CCO1 226703159 344510943 /nfs/dbraw/zinc/51/09/43/344510943.db2.gz RVONGOKMDJKGMN-BIIVOSGPSA-N 0 3 186.255 0.017 20 0 ACADHN CCc1nn(C)cc1NC(=O)[C@H](C)N 226705141 344510993 /nfs/dbraw/zinc/51/09/93/344510993.db2.gz HMPRSPSMAXLZSN-LURJTMIESA-N 0 3 196.254 0.268 20 0 ACADHN COCC(=O)C1(N)CCC1 226779012 344513729 /nfs/dbraw/zinc/51/37/29/344513729.db2.gz UIUHISICHHKGIR-UHFFFAOYSA-N 0 3 143.186 0.083 20 0 ACADHN NC(=O)CN1CCC[C@H]2CCC[C@@H]21 227173392 344524547 /nfs/dbraw/zinc/52/45/47/344524547.db2.gz LFDJTDIUCSWXIK-BDAKNGLRSA-N 0 3 182.267 0.736 20 0 ACADHN C[C@H]1CCN(Cc2ccno2)[C@@H]1CO 227189827 344524584 /nfs/dbraw/zinc/52/45/84/344524584.db2.gz FPINTHNXFUREGC-WCBMZHEXSA-N 0 3 196.250 0.877 20 0 ACADHN NC(=O)CN1CCC[C@@H]2CCC[C@@H]21 227173387 344524666 /nfs/dbraw/zinc/52/46/66/344524666.db2.gz LFDJTDIUCSWXIK-IUCAKERBSA-N 0 3 182.267 0.736 20 0 ACADHN CO[C@@H](CN)c1nc(C)no1 227297458 344527861 /nfs/dbraw/zinc/52/78/61/344527861.db2.gz ZWHJTQDONPFNNU-YFKPBYRVSA-N 0 3 157.173 0.024 20 0 ACADHN Cc1cncc(CN2CC[C@H](O)C2)c1 227301560 344528452 /nfs/dbraw/zinc/52/84/52/344528452.db2.gz JTVQUIIDQRIPDV-NSHDSACASA-N 0 3 192.262 0.957 20 0 ACADHN Cc1cncc(CN2CC[C@@H](O)C2)c1 227301569 344528491 /nfs/dbraw/zinc/52/84/91/344528491.db2.gz JTVQUIIDQRIPDV-LLVKDONJSA-N 0 3 192.262 0.957 20 0 ACADHN CCC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 227525651 344533507 /nfs/dbraw/zinc/53/35/07/344533507.db2.gz VJVZMUQWYDSVCS-DTWKUNHWSA-N 0 3 184.283 0.995 20 0 ACADHN CCC(=O)N[C@H]1CCN(C)[C@@H](C)C1 227525658 344533530 /nfs/dbraw/zinc/53/35/30/344533530.db2.gz VJVZMUQWYDSVCS-IUCAKERBSA-N 0 3 184.283 0.995 20 0 ACADHN CCN(CCNC(N)=O)C1CC1 227553951 344534404 /nfs/dbraw/zinc/53/44/04/344534404.db2.gz UPPOPSVFJYAAPW-UHFFFAOYSA-N 0 3 171.244 0.139 20 0 ACADHN CCC(=O)NCCN(CC)C1CC1 227553486 344534414 /nfs/dbraw/zinc/53/44/14/344534414.db2.gz IZCGKSLDCYUAHP-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CCN(CCNC(=O)C1CC1)C1CC1 227553390 344534425 /nfs/dbraw/zinc/53/44/25/344534425.db2.gz ZGJYKZNCNXKVRN-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CCN(CCNC(=O)NC)C1CC1 227553935 344534507 /nfs/dbraw/zinc/53/45/07/344534507.db2.gz JUBZMOHRGVNBQD-UHFFFAOYSA-N 0 3 185.271 0.400 20 0 ACADHN CCNC(=O)NCCN(CC)C1CC1 227553962 344534546 /nfs/dbraw/zinc/53/45/46/344534546.db2.gz SWKWNKNFXAERLH-UHFFFAOYSA-N 0 3 199.298 0.790 20 0 ACADHN C[C@H](O)CN(C)CCc1cnn(C)c1 227575991 344535810 /nfs/dbraw/zinc/53/58/10/344535810.db2.gz CMQLDHLISLOFJY-VIFPVBQESA-N 0 3 197.282 0.275 20 0 ACADHN OC[C@H]1CCN(CCOCC2CC2)C1 227575864 344535864 /nfs/dbraw/zinc/53/58/64/344535864.db2.gz PEORZXGUYRZUMS-NSHDSACASA-N 0 3 199.294 0.727 20 0 ACADHN OC[C@@H]1CCN(CCOCC2CC2)C1 227575858 344536028 /nfs/dbraw/zinc/53/60/28/344536028.db2.gz PEORZXGUYRZUMS-LLVKDONJSA-N 0 3 199.294 0.727 20 0 ACADHN C[C@@H](O)CN(C)CCc1cnn(C)c1 227575986 344536082 /nfs/dbraw/zinc/53/60/82/344536082.db2.gz CMQLDHLISLOFJY-SECBINFHSA-N 0 3 197.282 0.275 20 0 ACADHN C[C@@H]1CCN([C@H](C)C(N)=O)C[C@@H]1C 228202412 344558946 /nfs/dbraw/zinc/55/89/46/344558946.db2.gz WQGBPUFBQVUDBH-HRDYMLBCSA-N 0 3 184.283 0.838 20 0 ACADHN Cc1cncc(COC2CNC2)c1 228609130 344564924 /nfs/dbraw/zinc/56/49/24/344564924.db2.gz MOUYHXOUGLRLNW-UHFFFAOYSA-N 0 3 178.235 0.878 20 0 ACADHN CN[C@@H](C)C(=O)NC1(C)CC1 228855866 344570979 /nfs/dbraw/zinc/57/09/79/344570979.db2.gz JLECDUHQVKLKDP-LURJTMIESA-N 0 3 156.229 0.263 20 0 ACADHN CC[C@@H](N)C(=O)NC1(C)CCC1 228858800 344571750 /nfs/dbraw/zinc/57/17/50/344571750.db2.gz HWYWRKLRCXSWDZ-SSDOTTSWSA-N 0 3 170.256 0.783 20 0 ACADHN CNCC(=O)NC1(C)CCC1 228860179 344571792 /nfs/dbraw/zinc/57/17/92/344571792.db2.gz MXFNEGNZPWYXGB-UHFFFAOYSA-N 0 3 156.229 0.265 20 0 ACADHN CC1(NC(=O)CN)CCC1 228861480 344571842 /nfs/dbraw/zinc/57/18/42/344571842.db2.gz RRGPBYBWDVTWAJ-UHFFFAOYSA-N 0 3 142.202 0.004 20 0 ACADHN CC[C@H](N)c1cn(CC)nn1 229935147 344620920 /nfs/dbraw/zinc/62/09/20/344620920.db2.gz WVGPMHWRQFYZHQ-LURJTMIESA-N 0 3 154.217 0.708 20 0 ACADHN CC[C@@H](N)c1cn(CC)nn1 229935141 344620925 /nfs/dbraw/zinc/62/09/25/344620925.db2.gz WVGPMHWRQFYZHQ-ZCFIWIBFSA-N 0 3 154.217 0.708 20 0 ACADHN C[C@@]1(O)CCN(CCF)C1 229959948 344621725 /nfs/dbraw/zinc/62/17/25/344621725.db2.gz XMXYJPUBTOXMOU-SSDOTTSWSA-N 0 3 147.193 0.413 20 0 ACADHN C[C@H]1CN(CC2CCC2)C[C@@H](CO)O1 230015914 344623749 /nfs/dbraw/zinc/62/37/49/344623749.db2.gz FQFVWJOBUBSULP-ONGXEEELSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@@H]1CN(CC2CCC2)C[C@@H](CO)O1 230015907 344623940 /nfs/dbraw/zinc/62/39/40/344623940.db2.gz FQFVWJOBUBSULP-KOLCDFICSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@@H](O)C1CCN([C@H]2CCOC2)CC1 230073391 344625294 /nfs/dbraw/zinc/62/52/94/344625294.db2.gz PPPXSXKJFYRENN-KOLCDFICSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@H](O)C1CCN([C@@H]2CCOC2)CC1 230073388 344625367 /nfs/dbraw/zinc/62/53/67/344625367.db2.gz PPPXSXKJFYRENN-GXSJLCMTSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@@H](O)C1CCN([C@@H]2CCOC2)CC1 230073384 344625474 /nfs/dbraw/zinc/62/54/74/344625474.db2.gz PPPXSXKJFYRENN-MWLCHTKSSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@H](O)C1CCN([C@H]2CCOC2)CC1 230073396 344625491 /nfs/dbraw/zinc/62/54/91/344625491.db2.gz PPPXSXKJFYRENN-ONGXEEELSA-N 0 3 199.294 0.868 20 0 ACADHN CCCNC1(C(N)=O)CC1 230229679 344629576 /nfs/dbraw/zinc/62/95/76/344629576.db2.gz BKAJXJSIFKDYQO-UHFFFAOYSA-N 0 3 142.202 0.004 20 0 ACADHN OCCN1CCC(n2cccn2)CC1 230596082 344637570 /nfs/dbraw/zinc/63/75/70/344637570.db2.gz ZIMWOJOKAQDWAF-UHFFFAOYSA-N 0 3 195.266 0.512 20 0 ACADHN Cn1cc(CNC[C@H]2CC2(C)C)nn1 230660031 344638465 /nfs/dbraw/zinc/63/84/65/344638465.db2.gz XRBJGRDWIIPXTB-MRVPVSSYSA-N 0 3 194.282 0.951 20 0 ACADHN Cn1cc(CNC[C@@H]2CC2(C)C)nn1 230660028 344638629 /nfs/dbraw/zinc/63/86/29/344638629.db2.gz XRBJGRDWIIPXTB-QMMMGPOBSA-N 0 3 194.282 0.951 20 0 ACADHN Cc1ncccc1COC1CNC1 231388347 344652841 /nfs/dbraw/zinc/65/28/41/344652841.db2.gz LOPKUMILPURWAC-UHFFFAOYSA-N 0 3 178.235 0.878 20 0 ACADHN C[C@H](CO)CN1CCO[C@@H]2CCC[C@@H]21 231636875 344655646 /nfs/dbraw/zinc/65/56/46/344655646.db2.gz XDDKFJYIBORTEC-GARJFASQSA-N 0 3 199.294 0.868 20 0 ACADHN C/C(=C\Cl)C[C@@H](N)C(N)=O 232004267 344669675 /nfs/dbraw/zinc/66/96/75/344669675.db2.gz OUQSYBFHWPJTGU-QLSVQJPWSA-N 0 3 162.620 0.332 20 0 ACADHN C/C(=C\Cl)C[C@H](N)C(N)=O 232004271 344669690 /nfs/dbraw/zinc/66/96/90/344669690.db2.gz OUQSYBFHWPJTGU-BHYDHMSTSA-N 0 3 162.620 0.332 20 0 ACADHN CC(C)[C@@H](N)C(=O)Nc1cncnc1 232089169 344671886 /nfs/dbraw/zinc/67/18/86/344671886.db2.gz XBJGNNWFJRXYFZ-MRVPVSSYSA-N 0 3 194.238 0.398 20 0 ACADHN NC1(C(=O)Nc2cncnc2)CCC1 232089435 344672079 /nfs/dbraw/zinc/67/20/79/344672079.db2.gz NBYVZULACXTSFK-UHFFFAOYSA-N 0 3 192.222 0.297 20 0 ACADHN Cc1cc(C(=O)NCC[NH3+])ccc1[O-] 232369212 344675984 /nfs/dbraw/zinc/67/59/84/344675984.db2.gz HZXQRLZFGQRPTI-UHFFFAOYSA-N 0 3 194.234 0.389 20 0 ACADHN CC1(CNC(=O)C2(N)CCC2)CC1 232837298 344694224 /nfs/dbraw/zinc/69/42/24/344694224.db2.gz VKHPMSIQDPMAJF-UHFFFAOYSA-N 0 3 182.267 0.784 20 0 ACADHN CCOC(=O)Cc1cnccc1N 233676833 344703578 /nfs/dbraw/zinc/70/35/78/344703578.db2.gz UTSVTVQQJKGJJO-UHFFFAOYSA-N 0 3 180.207 0.769 20 0 ACADHN CC[C@@H]1C[C@H]1NC(=O)C1(N)CCC1 233937917 344708154 /nfs/dbraw/zinc/70/81/54/344708154.db2.gz PVLSJPCCJAIYKS-HTQZYQBOSA-N 0 3 182.267 0.783 20 0 ACADHN CC[C@H]1CN(C)CCCN1C(=O)NC 234115602 344713015 /nfs/dbraw/zinc/71/30/15/344713015.db2.gz CTWNDIZGQMQDMU-VIFPVBQESA-N 0 3 199.298 0.742 20 0 ACADHN CCc1cnn2c(CN)ccnc12 234141106 344713964 /nfs/dbraw/zinc/71/39/64/344713964.db2.gz UHVHAJMTOHCRMM-UHFFFAOYSA-N 0 3 176.223 0.750 20 0 ACADHN CCc1cn2c(CN)ccnc2n1 234178196 344714263 /nfs/dbraw/zinc/71/42/63/344714263.db2.gz VKKSKBRTKPVLKP-UHFFFAOYSA-N 0 3 176.223 0.750 20 0 ACADHN CCc1cc2nccc(CN)n2n1 234166704 344714470 /nfs/dbraw/zinc/71/44/70/344714470.db2.gz CNUYZDUHWIDBLQ-UHFFFAOYSA-N 0 3 176.223 0.750 20 0 ACADHN CCc1nc2nccc(CN)n2n1 234182986 344714497 /nfs/dbraw/zinc/71/44/97/344714497.db2.gz KUFOLGKDUMYNEB-UHFFFAOYSA-N 0 3 177.211 0.145 20 0 ACADHN CN(C)C(=O)[C@H]1NCCCC1(C)C 234257659 344716609 /nfs/dbraw/zinc/71/66/09/344716609.db2.gz CGYDYUHWMCHBFH-MRVPVSSYSA-N 0 3 184.283 0.853 20 0 ACADHN CNCC(=O)Nc1cc(Cl)ccn1 234345109 344718056 /nfs/dbraw/zinc/71/80/56/344718056.db2.gz RTDJNVNORTYQQF-UHFFFAOYSA-N 0 3 199.641 0.893 20 0 ACADHN CN[C@@H](C)C(=O)Nc1ccc(F)nc1 234381566 344719829 /nfs/dbraw/zinc/71/98/29/344719829.db2.gz DKPJDJCFNBQSHV-LURJTMIESA-N 0 3 197.213 0.767 20 0 ACADHN COC(=O)Cc1cnccc1N 234553532 344722822 /nfs/dbraw/zinc/72/28/22/344722822.db2.gz QUDZEBBYCVVGKN-UHFFFAOYSA-N 0 3 166.180 0.379 20 0 ACADHN CO[C@H]1CCN(C(=O)C2(N)CCC2)C1 234775943 344726828 /nfs/dbraw/zinc/72/68/28/344726828.db2.gz WTLRKEUPSJNLQD-QMMMGPOBSA-N 0 3 198.266 0.115 20 0 ACADHN COC(=O)CCN1CC[C@H](OC)C1 234795631 344727764 /nfs/dbraw/zinc/72/77/64/344727764.db2.gz VKCUBXOQAKNXPJ-QMMMGPOBSA-N 0 3 187.239 0.270 20 0 ACADHN CO[C@@H]1CCN(C(=O)C2(N)CCC2)C1 234794496 344728016 /nfs/dbraw/zinc/72/80/16/344728016.db2.gz WTLRKEUPSJNLQD-MRVPVSSYSA-N 0 3 198.266 0.115 20 0 ACADHN C[C@@H]1C[C@H](NC(=O)[C@@H](C)N)CCO1 235155907 344734205 /nfs/dbraw/zinc/73/42/05/344734205.db2.gz RVONGOKMDJKGMN-BWZBUEFSSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@@H](O)CNC1COC(C)(C)OC1 235234883 344737163 /nfs/dbraw/zinc/73/71/63/344737163.db2.gz MENHRIZLZFLMBQ-SSDOTTSWSA-N 0 3 189.255 0.108 20 0 ACADHN C[C@@H]1CC[C@H](c2cnnn2C)NC1 235322656 344743182 /nfs/dbraw/zinc/74/31/82/344743182.db2.gz VEIYSMVWHCYORW-HTQZYQBOSA-N 0 3 180.255 0.876 20 0 ACADHN C[C@@H]1CC[C@@H](c2cnnn2C)NC1 235318914 344743326 /nfs/dbraw/zinc/74/33/26/344743326.db2.gz VEIYSMVWHCYORW-SFYZADRCSA-N 0 3 180.255 0.876 20 0 ACADHN C[C@H](N)C(=O)N[C@H]1CCO[C@H](C)C1 235502460 344752013 /nfs/dbraw/zinc/75/20/13/344752013.db2.gz RVONGOKMDJKGMN-CSMHCCOUSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1CCO[C@H](C)C1 235501107 344752255 /nfs/dbraw/zinc/75/22/55/344752255.db2.gz RVONGOKMDJKGMN-GJMOJQLCSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H](O)CNC1COC(C)(C)OC1 235531992 344752695 /nfs/dbraw/zinc/75/26/95/344752695.db2.gz MENHRIZLZFLMBQ-ZETCQYMHSA-N 0 3 189.255 0.108 20 0 ACADHN C[C@H](O)CN1CCS[C@H](C)C1 235566404 344755967 /nfs/dbraw/zinc/75/59/67/344755967.db2.gz LBTCYNGBCVVIIG-JGVFFNPUSA-N 0 3 175.297 0.805 20 0 ACADHN C[C@H](O)CN1CCSC[C@H]1C 235566334 344756013 /nfs/dbraw/zinc/75/60/13/344756013.db2.gz VGBPPPOKMVPEGP-SFYZADRCSA-N 0 3 175.297 0.805 20 0 ACADHN C[C@H]1CC[C@H](c2cnnn2C)NC1 235645960 344761690 /nfs/dbraw/zinc/76/16/90/344761690.db2.gz VEIYSMVWHCYORW-JGVFFNPUSA-N 0 3 180.255 0.876 20 0 ACADHN Cc1cnn2c(CN)ccnc12 235807736 344767560 /nfs/dbraw/zinc/76/75/60/344767560.db2.gz YWFILBHMKGJXJT-UHFFFAOYSA-N 0 3 162.196 0.496 20 0 ACADHN Cc1cn2c(CN)ccnc2n1 235920050 344769530 /nfs/dbraw/zinc/76/95/30/344769530.db2.gz ZEIZLAJPAOGLGE-UHFFFAOYSA-N 0 3 162.196 0.496 20 0 ACADHN NCc1cc(F)cnc1N 236256488 344778680 /nfs/dbraw/zinc/77/86/80/344778680.db2.gz QMCFXQDYYZUORD-UHFFFAOYSA-N 0 3 141.149 0.262 20 0 ACADHN Fc1cncc(COC2CNC2)c1 236254475 344778747 /nfs/dbraw/zinc/77/87/47/344778747.db2.gz ZJLHAQTZGHXBJR-UHFFFAOYSA-N 0 3 182.198 0.709 20 0 ACADHN OCC[C@@H]1CNc2nccn2C1 236494225 344786876 /nfs/dbraw/zinc/78/68/76/344786876.db2.gz AWNQLGWDPRUKFN-SSDOTTSWSA-N 0 3 167.212 0.307 20 0 ACADHN OCC[C@H]1CNc2nccn2C1 236499872 344786924 /nfs/dbraw/zinc/78/69/24/344786924.db2.gz AWNQLGWDPRUKFN-ZETCQYMHSA-N 0 3 167.212 0.307 20 0 ACADHN O[C@@H]1CCCC[C@H]1OC1CNC1 236522184 344787452 /nfs/dbraw/zinc/78/74/52/344787452.db2.gz HZGPUGDZZZMAFE-RKDXNWHRSA-N 0 3 171.240 0.278 20 0 ACADHN O[C@H]1CCCC[C@@H]1OC1CNC1 236544122 344788318 /nfs/dbraw/zinc/78/83/18/344788318.db2.gz HZGPUGDZZZMAFE-IUCAKERBSA-N 0 3 171.240 0.278 20 0 ACADHN O[C@H]1CCCC[C@H]1OC1CNC1 236567505 344789464 /nfs/dbraw/zinc/78/94/64/344789464.db2.gz HZGPUGDZZZMAFE-DTWKUNHWSA-N 0 3 171.240 0.278 20 0 ACADHN O[C@H]1CN([C@H]2C=CCCC2)C[C@@H]1O 236603667 344790397 /nfs/dbraw/zinc/79/03/97/344790397.db2.gz DNQPXWXIJYYMMR-GUBZILKMSA-N 0 3 183.251 0.133 20 0 ACADHN O[C@H]1CN([C@@H]2C=CCCC2)C[C@@H]1O 236604851 344790449 /nfs/dbraw/zinc/79/04/49/344790449.db2.gz DNQPXWXIJYYMMR-UTLUCORTSA-N 0 3 183.251 0.133 20 0 ACADHN CC1CCN([C@@H]2COC[C@H]2O)CC1 238210185 344795908 /nfs/dbraw/zinc/79/59/08/344795908.db2.gz RCCKEXCZNAREFD-NXEZZACHSA-N 0 3 185.267 0.478 20 0 ACADHN CCC(=O)N1[C@@H](C)[C@H](C)NC[C@H]1C 238206723 344795973 /nfs/dbraw/zinc/79/59/73/344795973.db2.gz ODUKHHGXABKWGY-VGMNWLOBSA-N 0 3 184.283 0.994 20 0 ACADHN CC1CCN([C@H]2COC[C@H]2O)CC1 238210557 344796186 /nfs/dbraw/zinc/79/61/86/344796186.db2.gz RCCKEXCZNAREFD-VHSXEESVSA-N 0 3 185.267 0.478 20 0 ACADHN Cc1cc(O)cnc1CN 238486378 344809014 /nfs/dbraw/zinc/80/90/14/344809014.db2.gz DBZZFVTVBPYBJB-UHFFFAOYSA-N 0 3 138.170 0.554 20 0 ACADHN Cc1cc([O-])cnc1C[NH3+] 238486378 344809016 /nfs/dbraw/zinc/80/90/16/344809016.db2.gz DBZZFVTVBPYBJB-UHFFFAOYSA-N 0 3 138.170 0.554 20 0 ACADHN NC(=O)CN1C2CCCC1CCC2 238542908 344812025 /nfs/dbraw/zinc/81/20/25/344812025.db2.gz RXOUMCZRVZXIAL-UHFFFAOYSA-N 0 3 182.267 0.879 20 0 ACADHN NC(=O)CN1CC[C@@H]2CCC[C@@H]21 238544678 344812109 /nfs/dbraw/zinc/81/21/09/344812109.db2.gz LZUVCAAQASMDMD-YUMQZZPRSA-N 0 3 168.240 0.346 20 0 ACADHN O=C1C[C@@H]2CC[C@H](C1)N2CCO 238698320 344820217 /nfs/dbraw/zinc/82/02/17/344820217.db2.gz LZNMBKCYQSDBLW-OCAPTIKFSA-N 0 3 169.224 0.175 20 0 ACADHN OC[C@@H]1CCCN1Cc1cnc[nH]1 238713288 344821221 /nfs/dbraw/zinc/82/12/21/344821221.db2.gz PJEXLAPKQZQJFO-VIFPVBQESA-N 0 3 181.239 0.366 20 0 ACADHN CCCCN1CCN(C)C[C@H]1CO 249844339 344827955 /nfs/dbraw/zinc/82/79/55/344827955.db2.gz GEKCJMWEZZWRPQ-JTQLQIEISA-N 0 3 186.299 0.395 20 0 ACADHN CCCN1CCN(C)C[C@H]1CO 249950769 344828614 /nfs/dbraw/zinc/82/86/14/344828614.db2.gz IHGGZABRJIUPDI-VIFPVBQESA-N 0 3 172.272 0.005 20 0 ACADHN CN1CCN(CCC2CC2)[C@@H](CO)C1 250410899 344833300 /nfs/dbraw/zinc/83/33/00/344833300.db2.gz WIWXBXWOLAOYSC-LLVKDONJSA-N 0 3 198.310 0.395 20 0 ACADHN CC(C)CN1CCN(C)C[C@H]1CO 250600493 344837272 /nfs/dbraw/zinc/83/72/72/344837272.db2.gz RCLNLLXILLOAGO-JTQLQIEISA-N 0 3 186.299 0.251 20 0 ACADHN CN1CC[C@@H](N)[C@H]1c1ccco1 250613707 344837437 /nfs/dbraw/zinc/83/74/37/344837437.db2.gz NJZYCMMWVOFQMN-APPZFPTMSA-N 0 3 166.224 0.984 20 0 ACADHN CN1CC[C@H](N)[C@H]1c1ccco1 250613709 344837635 /nfs/dbraw/zinc/83/76/35/344837635.db2.gz NJZYCMMWVOFQMN-CBAPKCEASA-N 0 3 166.224 0.984 20 0 ACADHN C[C@H](C(N)=O)N1C[C@@H]2CCC[C@H]2C1 251067982 344845819 /nfs/dbraw/zinc/84/58/19/344845819.db2.gz XSZXNNKIURTROC-VGMNWLOBSA-N 0 3 182.267 0.592 20 0 ACADHN C[C@H]1CCN([C@H](C)C(N)=O)C1 251545154 344857276 /nfs/dbraw/zinc/85/72/76/344857276.db2.gz BSFURKAODHMPJE-NKWVEPMBSA-N 0 3 156.229 0.202 20 0 ACADHN C[C@H](O)[C@@H](C)N1CCN(C)[C@H](C)C1 251649925 344863760 /nfs/dbraw/zinc/86/37/60/344863760.db2.gz GIYJUKLFQUOORA-BBBLOLIVSA-N 0 3 186.299 0.392 20 0 ACADHN C[C@H](O)[C@H](C)N1CCN(C)[C@H](C)C1 251649927 344863836 /nfs/dbraw/zinc/86/38/36/344863836.db2.gz GIYJUKLFQUOORA-UTLUCORTSA-N 0 3 186.299 0.392 20 0 ACADHN C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CN 251695473 344866501 /nfs/dbraw/zinc/86/65/01/344866501.db2.gz HKBUQYWKLAOILE-HRDYMLBCSA-N 0 3 184.283 0.886 20 0 ACADHN C[C@@H]1[C@@H](NC(=O)CN)CCC[C@H]1C 251695474 344866699 /nfs/dbraw/zinc/86/66/99/344866699.db2.gz HKBUQYWKLAOILE-VGMNWLOBSA-N 0 3 184.283 0.886 20 0 ACADHN C[C@H](O)CCN1CCN(C)[C@H](C)C1 251740132 344869973 /nfs/dbraw/zinc/86/99/73/344869973.db2.gz KTUXSGRNYDEZMA-ZJUUUORDSA-N 0 3 186.299 0.393 20 0 ACADHN C[C@@H]1C[N@H+]([C@H](C)C(=O)[O-])CC[C@H]1N 251903780 344879561 /nfs/dbraw/zinc/87/95/61/344879561.db2.gz WPQVIFLITBYMQB-BWZBUEFSSA-N 0 3 186.255 0.129 20 0 ACADHN C[C@@H]1C[N@@H+]([C@H](C)C(=O)[O-])CC[C@H]1N 251903780 344879563 /nfs/dbraw/zinc/87/95/63/344879563.db2.gz WPQVIFLITBYMQB-BWZBUEFSSA-N 0 3 186.255 0.129 20 0 ACADHN C[C@@H]1C[N@H+]([C@H](C)C(=O)[O-])CC[C@@H]1N 251903783 344879635 /nfs/dbraw/zinc/87/96/35/344879635.db2.gz WPQVIFLITBYMQB-PRJMDXOYSA-N 0 3 186.255 0.129 20 0 ACADHN C[C@@H]1C[N@@H+]([C@H](C)C(=O)[O-])CC[C@@H]1N 251903783 344879636 /nfs/dbraw/zinc/87/96/36/344879636.db2.gz WPQVIFLITBYMQB-PRJMDXOYSA-N 0 3 186.255 0.129 20 0 ACADHN C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](N)[C@H](C)C1 251903782 344879657 /nfs/dbraw/zinc/87/96/57/344879657.db2.gz WPQVIFLITBYMQB-GJMOJQLCSA-N 0 3 186.255 0.129 20 0 ACADHN C[C@@H](C(=O)[O-])[N@H+]1CC[C@@H](N)[C@H](C)C1 251903782 344879660 /nfs/dbraw/zinc/87/96/60/344879660.db2.gz WPQVIFLITBYMQB-GJMOJQLCSA-N 0 3 186.255 0.129 20 0 ACADHN C[C@@H]1CC[C@H]([C@@H](N)C(N)=O)C[C@H]1C 251938874 344881273 /nfs/dbraw/zinc/88/12/73/344881273.db2.gz VWNOQLIKUQZYJU-LURQLKTLSA-N 0 3 184.283 0.871 20 0 ACADHN C[C@@H]1CC[C@H]([C@H](N)C(N)=O)C[C@H]1C 251938557 344881676 /nfs/dbraw/zinc/88/16/76/344881676.db2.gz VWNOQLIKUQZYJU-HXFLIBJXSA-N 0 3 184.283 0.871 20 0 ACADHN CC[C@@H](C)CN(C)[C@H](C)C(N)=O 252032851 344883552 /nfs/dbraw/zinc/88/35/52/344883552.db2.gz ZPQPSXLCKSBZEL-HTQZYQBOSA-N 0 3 172.272 0.838 20 0 ACADHN CC[C@H](C)CN(C)[C@H](C)C(N)=O 252032852 344883608 /nfs/dbraw/zinc/88/36/08/344883608.db2.gz ZPQPSXLCKSBZEL-JGVFFNPUSA-N 0 3 172.272 0.838 20 0 ACADHN C[C@H]1C[C@@H](C)C[C@H]([C@@H](N)C(N)=O)C1 252100730 344884554 /nfs/dbraw/zinc/88/45/54/344884554.db2.gz IIQASSVVILIRMP-RYPBNFRJSA-N 0 3 184.283 0.871 20 0 ACADHN C[C@H]1C[C@@H](C)C[C@H]([C@H](N)C(N)=O)C1 252100729 344884577 /nfs/dbraw/zinc/88/45/77/344884577.db2.gz IIQASSVVILIRMP-KDXUFGMBSA-N 0 3 184.283 0.871 20 0 ACADHN C[C@@H]1C[C@H](CN)C[N@H+]1[C@H](C)C(=O)[O-] 252146160 344887690 /nfs/dbraw/zinc/88/76/90/344887690.db2.gz NYCOFZXKLTZFLE-BWZBUEFSSA-N 0 3 186.255 0.129 20 0 ACADHN C[C@@H]1C[C@H](CN)C[N@@H+]1[C@H](C)C(=O)[O-] 252146160 344887693 /nfs/dbraw/zinc/88/76/93/344887693.db2.gz NYCOFZXKLTZFLE-BWZBUEFSSA-N 0 3 186.255 0.129 20 0 ACADHN C[C@@H]1C[C@@H](CN)C[N@H+]1[C@H](C)C(=O)[O-] 252146161 344887757 /nfs/dbraw/zinc/88/77/57/344887757.db2.gz NYCOFZXKLTZFLE-PRJMDXOYSA-N 0 3 186.255 0.129 20 0 ACADHN C[C@@H]1C[C@@H](CN)C[N@@H+]1[C@H](C)C(=O)[O-] 252146161 344887760 /nfs/dbraw/zinc/88/77/60/344887760.db2.gz NYCOFZXKLTZFLE-PRJMDXOYSA-N 0 3 186.255 0.129 20 0 ACADHN C[C@H]1CCCN([C@H](C)C(N)=O)CC1 252177617 344890289 /nfs/dbraw/zinc/89/02/89/344890289.db2.gz PINCLXTZLCWAGA-DTWKUNHWSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H](O)CCN(C)C[C@H]1CCCO1 252429827 344895478 /nfs/dbraw/zinc/89/54/78/344895478.db2.gz GAOJUSCVVJMUIU-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@@H](O)CCN(C)C[C@H]1CCCO1 252429826 344895535 /nfs/dbraw/zinc/89/55/35/344895535.db2.gz GAOJUSCVVJMUIU-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H](O)CN1C[C@@H](C)OC[C@H]1C 252438623 344896357 /nfs/dbraw/zinc/89/63/57/344896357.db2.gz DUODQAKVLZMURH-BBBLOLIVSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H](O)CN1CCOC[C@H]1CC 252439334 344896393 /nfs/dbraw/zinc/89/63/93/344896393.db2.gz NGCBFSCSPMNBAQ-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H](O)CN1C[C@H](C)OC[C@H]1C 252438624 344896789 /nfs/dbraw/zinc/89/67/89/344896789.db2.gz DUODQAKVLZMURH-UTLUCORTSA-N 0 3 187.283 0.867 20 0 ACADHN CN1CC[C@H](N)[C@H]1c1cncs1 252469617 344898803 /nfs/dbraw/zinc/89/88/03/344898803.db2.gz WAGKHVWHXZRBRN-XPUUQOCRSA-N 0 3 183.280 0.847 20 0 ACADHN CN1CC[C@@H](N)[C@H]1c1cncs1 252469616 344898884 /nfs/dbraw/zinc/89/88/84/344898884.db2.gz WAGKHVWHXZRBRN-SVRRBLITSA-N 0 3 183.280 0.847 20 0 ACADHN C[C@@H]1CN([C@H](C)C(N)=O)C[C@H]1C 252520690 344900622 /nfs/dbraw/zinc/90/06/22/344900622.db2.gz ZCJDQTHPIQDPML-BWZBUEFSSA-N 0 3 170.256 0.448 20 0 ACADHN O[C@H]1CC[C@H](NCc2ncc[nH]2)CC1 252706470 344909657 /nfs/dbraw/zinc/90/96/57/344909657.db2.gz UENPVEOAOGUPKR-KYZUINATSA-N 0 3 195.266 0.803 20 0 ACADHN C[C@@H]1CN([C@H](C)C(N)=O)CC[C@H]1C 252728032 344910551 /nfs/dbraw/zinc/91/05/51/344910551.db2.gz WQGBPUFBQVUDBH-IWSPIJDZSA-N 0 3 184.283 0.838 20 0 ACADHN C[C@H]1CCN(CC(N)=O)C[C@H]1C 252727486 344910662 /nfs/dbraw/zinc/91/06/62/344910662.db2.gz GNGFSHGXYBRZME-JGVFFNPUSA-N 0 3 170.256 0.450 20 0 ACADHN C[C@@H]1CN([C@@H](C)C(N)=O)CC[C@H]1C 252728031 344910898 /nfs/dbraw/zinc/91/08/98/344910898.db2.gz WQGBPUFBQVUDBH-HLTSFMKQSA-N 0 3 184.283 0.838 20 0 ACADHN CN1CC[C@@H](N)[C@H]1c1nccs1 252754103 344912350 /nfs/dbraw/zinc/91/23/50/344912350.db2.gz IJDPUDUSSOFLBL-RQJHMYQMSA-N 0 3 183.280 0.847 20 0 ACADHN CN1CC[C@H](N)[C@H]1c1nccs1 252754102 344912527 /nfs/dbraw/zinc/91/25/27/344912527.db2.gz IJDPUDUSSOFLBL-BQBZGAKWSA-N 0 3 183.280 0.847 20 0 ACADHN COC[C@H](C)N[C@@H](C)C[S@](C)=O 252813720 344915086 /nfs/dbraw/zinc/91/50/86/344915086.db2.gz RZSHGMRJENEDSQ-UBJUHAIHSA-N 0 3 193.312 0.378 20 0 ACADHN COC[C@H](C)N[C@H](C)C[S@](C)=O 252813719 344915184 /nfs/dbraw/zinc/91/51/84/344915184.db2.gz RZSHGMRJENEDSQ-SXMVTHIZSA-N 0 3 193.312 0.378 20 0 ACADHN CC[C@H](O)CN(C)[C@H]1CCOC1 252957627 344922310 /nfs/dbraw/zinc/92/23/10/344922310.db2.gz KUONLNBNEVVONE-IUCAKERBSA-N 0 3 173.256 0.478 20 0 ACADHN CC[C@@H](O)CN(C)[C@H]1CCOC1 252957625 344922457 /nfs/dbraw/zinc/92/24/57/344922457.db2.gz KUONLNBNEVVONE-DTWKUNHWSA-N 0 3 173.256 0.478 20 0 ACADHN C[C@@H]1COC[C@@H]([C@H]2CCCC2=O)N1 253169854 344929037 /nfs/dbraw/zinc/92/90/37/344929037.db2.gz DYLXOFWCLHBMOE-HLTSFMKQSA-N 0 3 183.251 0.733 20 0 ACADHN C[C@@H]1COC[C@H]([C@H]2CCCC2=O)N1 253169855 344929287 /nfs/dbraw/zinc/92/92/87/344929287.db2.gz DYLXOFWCLHBMOE-IWSPIJDZSA-N 0 3 183.251 0.733 20 0 ACADHN Cc1cc(CN)c(=O)n(C)c1 258120358 344943664 /nfs/dbraw/zinc/94/36/64/344943664.db2.gz ZZBJRKIPACMWDI-UHFFFAOYSA-N 0 3 152.197 0.152 20 0 ACADHN CNC(=O)N(C)C[C@H]1CCCN(C)C1 258792543 344945532 /nfs/dbraw/zinc/94/55/32/344945532.db2.gz ZURVYCHCKAGSKG-VIFPVBQESA-N 0 3 199.298 0.599 20 0 ACADHN CNC(=O)N(C)C[C@@H]1CCCN(C)C1 258792542 344945697 /nfs/dbraw/zinc/94/56/97/344945697.db2.gz ZURVYCHCKAGSKG-SECBINFHSA-N 0 3 199.298 0.599 20 0 ACADHN CN1CCC[C@@H](CN(C)C(N)=O)C1 258780666 344945941 /nfs/dbraw/zinc/94/59/41/344945941.db2.gz YGQOVFSDTPXXNI-MRVPVSSYSA-N 0 3 185.271 0.339 20 0 ACADHN CN1CCC[C@H](CN(C)C(N)=O)C1 258780669 344946017 /nfs/dbraw/zinc/94/60/17/344946017.db2.gz YGQOVFSDTPXXNI-QMMMGPOBSA-N 0 3 185.271 0.339 20 0 ACADHN CN(CCC1CCCC1)CC(N)=O 258997942 344946926 /nfs/dbraw/zinc/94/69/26/344946926.db2.gz DWKGKUFOMNLNFA-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN N[C@H](C(=O)N1CCCC1)C1CCC1 259146231 344947276 /nfs/dbraw/zinc/94/72/76/344947276.db2.gz UGJUXOWUCDHDRL-VIFPVBQESA-N 0 3 182.267 0.736 20 0 ACADHN CN(C)C(=O)[C@@H](N)C1CCC1 259133170 344947383 /nfs/dbraw/zinc/94/73/83/344947383.db2.gz SOWPOHPKRDTDJL-ZETCQYMHSA-N 0 3 156.229 0.202 20 0 ACADHN N[C@@H](C(=O)N1CCCC1)C1CCC1 259146227 344947449 /nfs/dbraw/zinc/94/74/49/344947449.db2.gz UGJUXOWUCDHDRL-SECBINFHSA-N 0 3 182.267 0.736 20 0 ACADHN CC(C)CN1CC(=O)NCC1(C)C 259161946 344947536 /nfs/dbraw/zinc/94/75/36/344947536.db2.gz GFBTUWQMWLCODC-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN CN(C)C(=O)[C@H](N)C1CCC1 259133167 344947626 /nfs/dbraw/zinc/94/76/26/344947626.db2.gz SOWPOHPKRDTDJL-SSDOTTSWSA-N 0 3 156.229 0.202 20 0 ACADHN NCC(=O)N1CCCC(F)(F)C1 259293004 344947902 /nfs/dbraw/zinc/94/79/02/344947902.db2.gz CDXLCNLVUKKQCB-UHFFFAOYSA-N 0 3 178.182 0.203 20 0 ACADHN COCCN1CC[C@H](O)C(C)(C)C1 259398022 344948664 /nfs/dbraw/zinc/94/86/64/344948664.db2.gz XJVMFHWGTZNBMT-VIFPVBQESA-N 0 3 187.283 0.726 20 0 ACADHN COCCN1CC[C@@H](O)C(C)(C)C1 259398018 344948675 /nfs/dbraw/zinc/94/86/75/344948675.db2.gz XJVMFHWGTZNBMT-SECBINFHSA-N 0 3 187.283 0.726 20 0 ACADHN CNCC(=O)N1CCCC(F)(F)C1 259524272 344949047 /nfs/dbraw/zinc/94/90/47/344949047.db2.gz PWGLRHLFJJLVJH-UHFFFAOYSA-N 0 3 192.209 0.464 20 0 ACADHN C[C@H](N)C(=O)N1CCCC(F)(F)C1 259441343 344949069 /nfs/dbraw/zinc/94/90/69/344949069.db2.gz JWSOLECIKLIOQF-LURJTMIESA-N 0 3 192.209 0.591 20 0 ACADHN C[C@H](N)C(=O)N1CCC(F)(F)CC1 259430837 344949147 /nfs/dbraw/zinc/94/91/47/344949147.db2.gz JFWYWYRZXXPIIH-LURJTMIESA-N 0 3 192.209 0.591 20 0 ACADHN C[C@@H](N)C(=O)N1CCC(F)(F)CC1 259430838 344949204 /nfs/dbraw/zinc/94/92/04/344949204.db2.gz JFWYWYRZXXPIIH-ZCFIWIBFSA-N 0 3 192.209 0.591 20 0 ACADHN CNCC(=O)N1CCC(F)(F)CC1 259535778 344949260 /nfs/dbraw/zinc/94/92/60/344949260.db2.gz QQRIJFYWBJDMMF-UHFFFAOYSA-N 0 3 192.209 0.464 20 0 ACADHN NC(=O)[C@@H]1CCN(Cc2ccco2)C1 259488253 344949270 /nfs/dbraw/zinc/94/92/70/344949270.db2.gz ZOQTYJUZEVXDGC-MRVPVSSYSA-N 0 3 194.234 0.587 20 0 ACADHN C[C@@H](N)C(=O)N1CCCC(F)(F)C1 259441345 344949311 /nfs/dbraw/zinc/94/93/11/344949311.db2.gz JWSOLECIKLIOQF-ZCFIWIBFSA-N 0 3 192.209 0.591 20 0 ACADHN COC(=O)CN(C)Cc1cn[nH]c1C 259893323 344951492 /nfs/dbraw/zinc/95/14/92/344951492.db2.gz XORPPZZKOMKEMD-UHFFFAOYSA-N 0 3 197.238 0.323 20 0 ACADHN COC(=O)c1cc(CNC(C)C)on1 260108186 344952304 /nfs/dbraw/zinc/95/23/04/344952304.db2.gz JYXOJIQPSBDXOV-UHFFFAOYSA-N 0 3 198.222 0.959 20 0 ACADHN C[C@@H]1CCN([C@@H]2CCOC2)C[C@H]1O 299919805 344960371 /nfs/dbraw/zinc/96/03/71/344960371.db2.gz XEAFBUWYRQNDES-OPRDCNLKSA-N 0 3 185.267 0.478 20 0 ACADHN C[C@@H]1CCN([C@H]2CCOC2)C[C@@H]1O 299919806 344960452 /nfs/dbraw/zinc/96/04/52/344960452.db2.gz XEAFBUWYRQNDES-UTLUCORTSA-N 0 3 185.267 0.478 20 0 ACADHN C[C@H]1CN(CC2CC2)C[C@H](CO)O1 299920455 344960807 /nfs/dbraw/zinc/96/08/07/344960807.db2.gz YDMCNQDDSCMMBI-WCBMZHEXSA-N 0 3 185.267 0.478 20 0 ACADHN C[C@@H]1CCN([C@H]2CCOC2)C[C@H]1O 299919804 344960975 /nfs/dbraw/zinc/96/09/75/344960975.db2.gz XEAFBUWYRQNDES-KXUCPTDWSA-N 0 3 185.267 0.478 20 0 ACADHN CC[C@@H](O)CN1CCN(C)C[C@H]1C 300353688 344975617 /nfs/dbraw/zinc/97/56/17/344975617.db2.gz NEARBXUUSZNEGD-NXEZZACHSA-N 0 3 186.299 0.393 20 0 ACADHN CC[C@@H]1CN(C)CCCN1C(=O)NC 300354720 344975747 /nfs/dbraw/zinc/97/57/47/344975747.db2.gz CTWNDIZGQMQDMU-SECBINFHSA-N 0 3 199.298 0.742 20 0 ACADHN CC[C@H](O)CN1CCN(C)C[C@H]1C 300353689 344975890 /nfs/dbraw/zinc/97/58/90/344975890.db2.gz NEARBXUUSZNEGD-ZJUUUORDSA-N 0 3 186.299 0.393 20 0 ACADHN CC[C@@H]1C[C@H]1NC(=O)[C@H](C)NC 300378126 344979464 /nfs/dbraw/zinc/97/94/64/344979464.db2.gz GGGKPJWHYFTPTJ-XLPZGREQSA-N 0 3 170.256 0.509 20 0 ACADHN CN(CCCO)CCn1cccn1 300743166 344985769 /nfs/dbraw/zinc/98/57/69/344985769.db2.gz DWMPPDABMXYSCJ-UHFFFAOYSA-N 0 3 183.255 0.197 20 0 ACADHN CCn1nncc1CNC(C)C 300754702 344989526 /nfs/dbraw/zinc/98/95/26/344989526.db2.gz JDQYFBHSZMTCDQ-UHFFFAOYSA-N 0 3 168.244 0.796 20 0 ACADHN Cc1cc(NC(=O)[C@@H](C)N)nn1C 300765463 344993215 /nfs/dbraw/zinc/99/32/15/344993215.db2.gz CZWZQKNPCQBKLE-ZCFIWIBFSA-N 0 3 182.227 0.014 20 0 ACADHN CC1(C)CNCC[C@@]1([NH3+])CC(=O)[O-] 300799764 344999885 /nfs/dbraw/zinc/99/98/85/344999885.db2.gz FGARZQDQZSTFRW-SECBINFHSA-N 0 3 186.255 0.178 20 0 ACADHN CC1(C)CNCC[C@]1([NH3+])CC(=O)[O-] 300799767 345000118 /nfs/dbraw/zinc/00/01/18/345000118.db2.gz FGARZQDQZSTFRW-VIFPVBQESA-N 0 3 186.255 0.178 20 0 ACADHN CC(C)[C@@H](N)c1cn(C[C@@H](C)O)nn1 300843010 345004611 /nfs/dbraw/zinc/00/46/11/345004611.db2.gz KBMBSXWNRJPRCS-VXNVDRBHSA-N 0 3 198.270 0.315 20 0 ACADHN CCn1cc([C@H](N)C(C)C)nn1 300843063 345004708 /nfs/dbraw/zinc/00/47/08/345004708.db2.gz KCASBCDXNWIRRZ-MRVPVSSYSA-N 0 3 168.244 0.954 20 0 ACADHN CC(C)[C@H](N)c1cn(C[C@@H](C)O)nn1 300842999 345004719 /nfs/dbraw/zinc/00/47/19/345004719.db2.gz KBMBSXWNRJPRCS-APPZFPTMSA-N 0 3 198.270 0.315 20 0 ACADHN CC(C)[C@@H](N)c1cn(C[C@H](C)O)nn1 300843008 345004773 /nfs/dbraw/zinc/00/47/73/345004773.db2.gz KBMBSXWNRJPRCS-IONNQARKSA-N 0 3 198.270 0.315 20 0 ACADHN CC(C)[C@H](N)c1cn(C[C@H](C)O)nn1 300843004 345004800 /nfs/dbraw/zinc/00/48/00/345004800.db2.gz KBMBSXWNRJPRCS-CBAPKCEASA-N 0 3 198.270 0.315 20 0 ACADHN CCn1cc([C@@H](N)C(C)C)nn1 300843066 345004927 /nfs/dbraw/zinc/00/49/27/345004927.db2.gz KCASBCDXNWIRRZ-QMMMGPOBSA-N 0 3 168.244 0.954 20 0 ACADHN Cc1cc(N)nn1CCN1CCCC1 300910363 345012534 /nfs/dbraw/zinc/01/25/34/345012534.db2.gz RPEPCIXSUQMMAR-UHFFFAOYSA-N 0 3 194.282 0.870 20 0 ACADHN CCn1ccc(NC(=O)[C@H](C)N)n1 300920225 345013697 /nfs/dbraw/zinc/01/36/97/345013697.db2.gz UFYFNFUXRRCUCF-LURJTMIESA-N 0 3 182.227 0.189 20 0 ACADHN CCn1ccc(NC(=O)[C@@H](C)N)n1 300920228 345013871 /nfs/dbraw/zinc/01/38/71/345013871.db2.gz UFYFNFUXRRCUCF-ZCFIWIBFSA-N 0 3 182.227 0.189 20 0 ACADHN CCn1ccc(NC(=O)[C@H](C)NC)n1 300940838 345016152 /nfs/dbraw/zinc/01/61/52/345016152.db2.gz XUTZWTAHRRSNLT-ZETCQYMHSA-N 0 3 196.254 0.449 20 0 ACADHN CC[C@H]1CN(CCO)CCCO1 300943579 345016620 /nfs/dbraw/zinc/01/66/20/345016620.db2.gz SNGZQVGYOUWABK-VIFPVBQESA-N 0 3 173.256 0.480 20 0 ACADHN CC[C@@H]1CN(CCO)CCCO1 300943577 345016937 /nfs/dbraw/zinc/01/69/37/345016937.db2.gz SNGZQVGYOUWABK-SECBINFHSA-N 0 3 173.256 0.480 20 0 ACADHN CCn1ccc(NC(=O)C2(N)CC2)n1 300947433 345017341 /nfs/dbraw/zinc/01/73/41/345017341.db2.gz YZARUSSJEIYFTP-UHFFFAOYSA-N 0 3 194.238 0.333 20 0 ACADHN NC(=O)[C@H](N)C[C@H]1CCC(F)(F)C1 300964188 345019279 /nfs/dbraw/zinc/01/92/79/345019279.db2.gz PVGGKWBSSYMCOI-PHDIDXHHSA-N 0 3 192.209 0.625 20 0 ACADHN NC(=O)[C@@H](N)C[C@H]1CCC(F)(F)C1 300964189 345019353 /nfs/dbraw/zinc/01/93/53/345019353.db2.gz PVGGKWBSSYMCOI-RITPCOANSA-N 0 3 192.209 0.625 20 0 ACADHN NC(=O)[C@H](N)C[C@@H]1CCC(F)(F)C1 300964187 345019420 /nfs/dbraw/zinc/01/94/20/345019420.db2.gz PVGGKWBSSYMCOI-NTSWFWBYSA-N 0 3 192.209 0.625 20 0 ACADHN NC(=O)[C@@H](N)C[C@@H]1CCC(F)(F)C1 300964190 345019519 /nfs/dbraw/zinc/01/95/19/345019519.db2.gz PVGGKWBSSYMCOI-WDSKDSINSA-N 0 3 192.209 0.625 20 0 ACADHN CNC(=O)CN1C[C@H](C)[C@@H](C)C1 306148242 345036712 /nfs/dbraw/zinc/03/67/12/345036712.db2.gz CANYJYTZHDKRDA-YUMQZZPRSA-N 0 3 170.256 0.320 20 0 ACADHN CNC(=O)CN1C[C@@H](C)[C@H](C)C1 306148238 345036892 /nfs/dbraw/zinc/03/68/92/345036892.db2.gz CANYJYTZHDKRDA-HTQZYQBOSA-N 0 3 170.256 0.320 20 0 ACADHN CNC(=O)CN1C[C@@H](C)[C@@H](C)C1 306148240 345036943 /nfs/dbraw/zinc/03/69/43/345036943.db2.gz CANYJYTZHDKRDA-OCAPTIKFSA-N 0 3 170.256 0.320 20 0 ACADHN CC[C@]1(C)CN(C[C@H](C)O)CCO1 306148886 345037772 /nfs/dbraw/zinc/03/77/72/345037772.db2.gz CYWSLJIIEMSSQP-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@]1(C)CN(C[C@@H](C)O)CCO1 306148884 345037915 /nfs/dbraw/zinc/03/79/15/345037915.db2.gz CYWSLJIIEMSSQP-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@]1(C)CN(C[C@H](C)O)CCO1 306148885 345037939 /nfs/dbraw/zinc/03/79/39/345037939.db2.gz CYWSLJIIEMSSQP-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@]1(C)CN(C[C@@H](C)O)CCO1 306148887 345037960 /nfs/dbraw/zinc/03/79/60/345037960.db2.gz CYWSLJIIEMSSQP-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@H](C(N)=O)N1C[C@@H]2CCCC[C@@H]21 306148983 345037975 /nfs/dbraw/zinc/03/79/75/345037975.db2.gz BPUASXFCCBLCST-VGMNWLOBSA-N 0 3 182.267 0.735 20 0 ACADHN C[C@H](C[NH3+])[N-]C(=O)C(C)(F)F 306159104 345049461 /nfs/dbraw/zinc/04/94/61/345049461.db2.gz CRNGBCGWNQDQCT-SCSAIBSYSA-N 0 3 166.171 0.105 20 0 ACADHN CN1CCN(CCF)C(C)(C)C1 306162981 345054129 /nfs/dbraw/zinc/05/41/29/345054129.db2.gz UBAPLHRXBXGUDV-UHFFFAOYSA-N 0 3 174.263 0.982 20 0 ACADHN c1nnsc1COC1CNC1 306163102 345054535 /nfs/dbraw/zinc/05/45/35/345054535.db2.gz IXQDSMJOIRYGJE-UHFFFAOYSA-N 0 3 171.225 0.027 20 0 ACADHN C[C@H]1CCN(CC(N)=O)CC1(C)C 306164222 345055091 /nfs/dbraw/zinc/05/50/91/345055091.db2.gz SCWXXPGKRNUASY-QMMMGPOBSA-N 0 3 184.283 0.840 20 0 ACADHN Nc1ccncc1OC1COC1 306164581 345055904 /nfs/dbraw/zinc/05/59/04/345055904.db2.gz ZGISMNKEQVDGRM-UHFFFAOYSA-N 0 3 166.180 0.441 20 0 ACADHN C[C@H](O)CN1CCN(C2CCC2)CC1 306171829 345063454 /nfs/dbraw/zinc/06/34/54/345063454.db2.gz TZISBGYSFYFXHP-JTQLQIEISA-N 0 3 198.310 0.537 20 0 ACADHN C[C@@H]([NH3+])C(=O)Nc1ccncc1[O-] 306172347 345064045 /nfs/dbraw/zinc/06/40/45/345064045.db2.gz LGOUGSWTWMEXFK-RXMQYKEDSA-N 0 3 181.195 0.073 20 0 ACADHN CCNC(=O)C1(NC)CCC1 306175444 345065945 /nfs/dbraw/zinc/06/59/45/345065945.db2.gz MAGHSYYLAGEPAJ-UHFFFAOYSA-N 0 3 156.229 0.265 20 0 ACADHN O=C(NC[C@@H]1C[C@H](F)CN1)C1CC1 306176299 345067337 /nfs/dbraw/zinc/06/73/37/345067337.db2.gz NNFPRSXXPCRCOV-YUMQZZPRSA-N 0 3 186.230 0.213 20 0 ACADHN CN1CCN(CCCO)C(C)(C)C1 306178571 345069740 /nfs/dbraw/zinc/06/97/40/345069740.db2.gz HIHYDCJMGNHMJW-UHFFFAOYSA-N 0 3 186.299 0.395 20 0 ACADHN Cc1c[nH]c(NC(=O)[C@H](C)N)n1 306178612 345069408 /nfs/dbraw/zinc/06/94/08/345069408.db2.gz QCAJGXMWEKFPPJ-YFKPBYRVSA-N 0 3 168.200 0.004 20 0 ACADHN Cc1c[nH]c(NC(=O)[C@@H](C)N)n1 306178609 345069522 /nfs/dbraw/zinc/06/95/22/345069522.db2.gz QCAJGXMWEKFPPJ-RXMQYKEDSA-N 0 3 168.200 0.004 20 0 ACADHN NCCC(=O)Nc1c[nH]ccc1=O 306183136 345073984 /nfs/dbraw/zinc/07/39/84/345073984.db2.gz ZXLWIQPTYLLNEJ-UHFFFAOYSA-N 0 3 181.195 0.075 20 0 ACADHN Cc1c(NC(=O)[C@@H](C)N)cnn1C 306188001 345078476 /nfs/dbraw/zinc/07/84/76/345078476.db2.gz MJKZWHYHZWVRSL-RXMQYKEDSA-N 0 3 182.227 0.014 20 0 ACADHN CC(C)(C)n1nnc2c1CNCC2 306190332 345080181 /nfs/dbraw/zinc/08/01/81/345080181.db2.gz GLXIUQPFBGTAGD-UHFFFAOYSA-N 0 3 180.255 0.679 20 0 ACADHN CC1(NC(=O)[C@@]2(F)CCNC2)CC1 306191297 345081345 /nfs/dbraw/zinc/08/13/45/345081345.db2.gz GDYWTBLRQFDYOY-SECBINFHSA-N 0 3 186.230 0.357 20 0 ACADHN CC1(NC(=O)[C@]2(F)CCNC2)CC1 306191298 345081458 /nfs/dbraw/zinc/08/14/58/345081458.db2.gz GDYWTBLRQFDYOY-VIFPVBQESA-N 0 3 186.230 0.357 20 0 ACADHN N[C@@H]1CCN(C2CC2)C[C@H]1F 306196794 345086233 /nfs/dbraw/zinc/08/62/33/345086233.db2.gz NMNDGFBFFKGLQG-HTQZYQBOSA-N 0 3 158.220 0.520 20 0 ACADHN CNC(=O)CN1C[C@H]2CCC[C@H]2C1 306199948 345088389 /nfs/dbraw/zinc/08/83/89/345088389.db2.gz LCLVSCNKBOEQPF-DTORHVGOSA-N 0 3 182.267 0.464 20 0 ACADHN CNC(=O)CN1C[C@H]2CCC[C@@H]2C1 306199959 345088660 /nfs/dbraw/zinc/08/86/60/345088660.db2.gz LCLVSCNKBOEQPF-RKDXNWHRSA-N 0 3 182.267 0.464 20 0 ACADHN CNC(=O)CN1C[C@@H]2CCC[C@H]2C1 306199954 345088775 /nfs/dbraw/zinc/08/87/75/345088775.db2.gz LCLVSCNKBOEQPF-IUCAKERBSA-N 0 3 182.267 0.464 20 0 ACADHN C[C@@H]([NH3+])C[N-]C(=O)C(C)(F)F 306203665 345092484 /nfs/dbraw/zinc/09/24/84/345092484.db2.gz MSJLDPMPFMSYDL-SCSAIBSYSA-N 0 3 166.171 0.105 20 0 ACADHN CNC(=O)CN1CC2CCC1CC2 306203374 345092696 /nfs/dbraw/zinc/09/26/96/345092696.db2.gz MLKDFXHFXNLWIW-UHFFFAOYSA-N 0 3 182.267 0.607 20 0 ACADHN C[C@H]([NH3+])C[N-]C(=O)C(C)(F)F 306203663 345092739 /nfs/dbraw/zinc/09/27/39/345092739.db2.gz MSJLDPMPFMSYDL-BYPYZUCNSA-N 0 3 166.171 0.105 20 0 ACADHN CNC1(C(=O)NC(C)C)CCC1 306210137 345100052 /nfs/dbraw/zinc/10/00/52/345100052.db2.gz CEHPJRANMVPJPA-UHFFFAOYSA-N 0 3 170.256 0.653 20 0 ACADHN CC(F)(F)C(=O)[N-][C@@H]1CCC[NH2+]C1 306213110 345103088 /nfs/dbraw/zinc/10/30/88/345103088.db2.gz WPRCGHDSVCZILA-ZCFIWIBFSA-N 0 3 192.209 0.510 20 0 ACADHN CC(F)(F)C(=O)[N-][C@H]1CCC[NH2+]C1 306213109 345103489 /nfs/dbraw/zinc/10/34/89/345103489.db2.gz WPRCGHDSVCZILA-LURJTMIESA-N 0 3 192.209 0.510 20 0 ACADHN CC[C@@H]1CCCN(CC(=O)NC)C1 306213862 345103900 /nfs/dbraw/zinc/10/39/00/345103900.db2.gz VUDCDRVEDRBEMW-SECBINFHSA-N 0 3 184.283 0.854 20 0 ACADHN CC[C@H]1CCCN(CC(=O)NC)C1 306213863 345104075 /nfs/dbraw/zinc/10/40/75/345104075.db2.gz VUDCDRVEDRBEMW-VIFPVBQESA-N 0 3 184.283 0.854 20 0 ACADHN C1COC(CN2C3CCC2CC3)O1 306216516 345108279 /nfs/dbraw/zinc/10/82/79/345108279.db2.gz JDKKZFOKZUZSRL-UHFFFAOYSA-N 0 3 183.251 0.986 20 0 ACADHN CN(CC(C)(C)C)[C@@H]1COC[C@H]1O 306223051 345115829 /nfs/dbraw/zinc/11/58/29/345115829.db2.gz RIQMYMKUFDUGSG-RKDXNWHRSA-N 0 3 187.283 0.724 20 0 ACADHN CN(CC(C)(C)C)[C@H]1COC[C@H]1O 306223050 345116089 /nfs/dbraw/zinc/11/60/89/345116089.db2.gz RIQMYMKUFDUGSG-DTWKUNHWSA-N 0 3 187.283 0.724 20 0 ACADHN CC1=CCCN([C@@H]2COC[C@H]2O)C1 306227980 345121117 /nfs/dbraw/zinc/12/11/17/345121117.db2.gz XDBDWEXFGFTRKC-NXEZZACHSA-N 0 3 183.251 0.398 20 0 ACADHN CC1=CCCN([C@H]2COC[C@H]2O)C1 306227981 345121224 /nfs/dbraw/zinc/12/12/24/345121224.db2.gz XDBDWEXFGFTRKC-VHSXEESVSA-N 0 3 183.251 0.398 20 0 ACADHN CNC(=O)[C@@H]1CCCN1CC1CC1 306230916 345124264 /nfs/dbraw/zinc/12/42/64/345124264.db2.gz BVGQRTFSMMESKY-VIFPVBQESA-N 0 3 182.267 0.607 20 0 ACADHN CC1(C)[C@H]2CN(CC(N)=O)C[C@H]21 306232865 345126475 /nfs/dbraw/zinc/12/64/75/345126475.db2.gz APOHLJPUPVDSNU-KNVOCYPGSA-N 0 3 168.240 0.060 20 0 ACADHN CO[C@H]1CCC[C@@H]1OC1CNC1 306234113 345127547 /nfs/dbraw/zinc/12/75/47/345127547.db2.gz LLOUHYRLXVHSCE-IUCAKERBSA-N 0 3 171.240 0.542 20 0 ACADHN CO[C@H]1CCC[C@H]1OC1CNC1 306234111 345127664 /nfs/dbraw/zinc/12/76/64/345127664.db2.gz LLOUHYRLXVHSCE-DTWKUNHWSA-N 0 3 171.240 0.542 20 0 ACADHN CO[C@@H]1CCC[C@H]1OC1CNC1 306234115 345127671 /nfs/dbraw/zinc/12/76/71/345127671.db2.gz LLOUHYRLXVHSCE-RKDXNWHRSA-N 0 3 171.240 0.542 20 0 ACADHN CO[C@@H]1CCC[C@@H]1OC1CNC1 306234109 345127703 /nfs/dbraw/zinc/12/77/03/345127703.db2.gz LLOUHYRLXVHSCE-BDAKNGLRSA-N 0 3 171.240 0.542 20 0 ACADHN CN1CC[C@@H](CSc2nc[nH]n2)C1 306237214 345129796 /nfs/dbraw/zinc/12/97/96/345129796.db2.gz FTCGRHPFABYTRN-SSDOTTSWSA-N 0 3 198.295 0.849 20 0 ACADHN CN1CC[C@H](CSc2nc[nH]n2)C1 306237216 345129952 /nfs/dbraw/zinc/12/99/52/345129952.db2.gz FTCGRHPFABYTRN-ZETCQYMHSA-N 0 3 198.295 0.849 20 0 ACADHN CCC[C@@H](C)N1CCCNC(=O)C1 306238900 345131460 /nfs/dbraw/zinc/13/14/60/345131460.db2.gz PUDGRVLABTVYPS-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CCC[C@H](C)N1CCCNC(=O)C1 306238908 345131508 /nfs/dbraw/zinc/13/15/08/345131508.db2.gz PUDGRVLABTVYPS-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN C[C@H]1CN(CC(N)=O)C(C)(C)C1 306240745 345133219 /nfs/dbraw/zinc/13/32/19/345133219.db2.gz HNMWFWFRVZWLIN-SSDOTTSWSA-N 0 3 170.256 0.592 20 0 ACADHN Cc1c(NC(=O)[C@H](C)N)cnn1C 306243703 345135482 /nfs/dbraw/zinc/13/54/82/345135482.db2.gz MJKZWHYHZWVRSL-YFKPBYRVSA-N 0 3 182.227 0.014 20 0 ACADHN CNC(=O)CN1CCC[C@@H](C)CC1 306248695 345140355 /nfs/dbraw/zinc/14/03/55/345140355.db2.gz XSESVQWORNZQLB-SECBINFHSA-N 0 3 184.283 0.854 20 0 ACADHN CNC(=O)CN1CCC[C@H](C)CC1 306248696 345140439 /nfs/dbraw/zinc/14/04/39/345140439.db2.gz XSESVQWORNZQLB-VIFPVBQESA-N 0 3 184.283 0.854 20 0 ACADHN CNC(=O)CN1CC[C@H](C)[C@H]1C 306251989 345143661 /nfs/dbraw/zinc/14/36/61/345143661.db2.gz LYHOYEBDFOOMRM-JGVFFNPUSA-N 0 3 170.256 0.463 20 0 ACADHN CNC(=O)CN1CC[C@@H](C)[C@H]1C 306251987 345143723 /nfs/dbraw/zinc/14/37/23/345143723.db2.gz LYHOYEBDFOOMRM-HTQZYQBOSA-N 0 3 170.256 0.463 20 0 ACADHN CNC(=O)CN1CC[C@@H](C)[C@@H]1C 306251991 345143885 /nfs/dbraw/zinc/14/38/85/345143885.db2.gz LYHOYEBDFOOMRM-SFYZADRCSA-N 0 3 170.256 0.463 20 0 ACADHN CNC(=O)CN1CC[C@H](C)[C@@H]1C 306251993 345143902 /nfs/dbraw/zinc/14/39/02/345143902.db2.gz LYHOYEBDFOOMRM-YUMQZZPRSA-N 0 3 170.256 0.463 20 0 ACADHN CN1CCC[C@@H](NCCF)C1 306252780 345144085 /nfs/dbraw/zinc/14/40/85/345144085.db2.gz JUXUXLHLTOTMTH-MRVPVSSYSA-N 0 3 160.236 0.640 20 0 ACADHN CN1CCC[C@H](NCCF)C1 306252782 345144451 /nfs/dbraw/zinc/14/44/51/345144451.db2.gz JUXUXLHLTOTMTH-QMMMGPOBSA-N 0 3 160.236 0.640 20 0 ACADHN CCn1nccc1NC(=O)[C@H](C)N 306253137 345144716 /nfs/dbraw/zinc/14/47/16/345144716.db2.gz VLDGKTHJXIWKMP-LURJTMIESA-N 0 3 182.227 0.189 20 0 ACADHN CC1(C)CN([C@H]2CCOC2)CC[C@H]1O 306256272 345147433 /nfs/dbraw/zinc/14/74/33/345147433.db2.gz XJJAZVVTBCFAJD-VHSXEESVSA-N 0 3 199.294 0.868 20 0 ACADHN CC1(C)CN([C@H]2CCOC2)CC[C@@H]1O 306256271 345147475 /nfs/dbraw/zinc/14/74/75/345147475.db2.gz XJJAZVVTBCFAJD-UWVGGRQHSA-N 0 3 199.294 0.868 20 0 ACADHN CC1(C)CN([C@@H]2CCOC2)CC[C@@H]1O 306256273 345147533 /nfs/dbraw/zinc/14/75/33/345147533.db2.gz XJJAZVVTBCFAJD-ZJUUUORDSA-N 0 3 199.294 0.868 20 0 ACADHN CC1(C)CN([C@@H]2CCOC2)CC[C@H]1O 306256269 345147561 /nfs/dbraw/zinc/14/75/61/345147561.db2.gz XJJAZVVTBCFAJD-NXEZZACHSA-N 0 3 199.294 0.868 20 0 ACADHN CCN(CC)[C@@H]1CCCN(C)C1=O 306258090 345148750 /nfs/dbraw/zinc/14/87/50/345148750.db2.gz ZJGZQCSCVCANCB-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CCN(CC)[C@H]1CCCN(C)C1=O 306258099 345149018 /nfs/dbraw/zinc/14/90/18/345149018.db2.gz ZJGZQCSCVCANCB-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN CC1(CN2CCCNC(=O)C2)CC1 306260920 345151206 /nfs/dbraw/zinc/15/12/06/345151206.db2.gz KQEWWVWIRDHKNQ-UHFFFAOYSA-N 0 3 182.267 0.608 20 0 ACADHN CC1(C)CN[C@@H]1C(=O)N1CCCC1 306272368 345160285 /nfs/dbraw/zinc/16/02/85/345160285.db2.gz XADOVOMKAQJHBI-MRVPVSSYSA-N 0 3 182.267 0.607 20 0 ACADHN CC1(C)CN[C@H]1C(=O)N1CCCC1 306272369 345160326 /nfs/dbraw/zinc/16/03/26/345160326.db2.gz XADOVOMKAQJHBI-QMMMGPOBSA-N 0 3 182.267 0.607 20 0 ACADHN FCCN1CCc2cn[nH]c2C1 306273079 345160834 /nfs/dbraw/zinc/16/08/34/345160834.db2.gz YMJJSJVBYRILPW-UHFFFAOYSA-N 0 3 169.203 0.737 20 0 ACADHN CNCC(=O)N1[C@@H](C)CC[C@@H]1C 306284804 345168717 /nfs/dbraw/zinc/16/87/17/345168717.db2.gz CCCDYQLOPZAKMP-YUMQZZPRSA-N 0 3 170.256 0.605 20 0 ACADHN CNCC(=O)N1[C@@H](C)CC[C@H]1C 306284803 345168818 /nfs/dbraw/zinc/16/88/18/345168818.db2.gz CCCDYQLOPZAKMP-OCAPTIKFSA-N 0 3 170.256 0.605 20 0 ACADHN C[C@H](C(N)=O)N1C2CCC1CC2 306285223 345169180 /nfs/dbraw/zinc/16/91/80/345169180.db2.gz CGSKBGDFZZBQEX-JECWYVHBSA-N 0 3 168.240 0.487 20 0 ACADHN C[C@@H](C(N)=O)N1C2CCC1CC2 306285244 345169004 /nfs/dbraw/zinc/16/90/04/345169004.db2.gz CGSKBGDFZZBQEX-KKMMWDRVSA-N 0 3 168.240 0.487 20 0 ACADHN C[C@H]1CN(Cc2cnc[nH]2)C[C@H]1O 306288081 345170959 /nfs/dbraw/zinc/17/09/59/345170959.db2.gz LTEHYJRISQOECQ-IONNQARKSA-N 0 3 181.239 0.222 20 0 ACADHN C[C@H]1CN(Cc2cnc[nH]2)C[C@@H]1O 306288080 345170990 /nfs/dbraw/zinc/17/09/90/345170990.db2.gz LTEHYJRISQOECQ-CBAPKCEASA-N 0 3 181.239 0.222 20 0 ACADHN C[C@@H]1CN(Cc2cnc[nH]2)C[C@H]1O 306288082 345171026 /nfs/dbraw/zinc/17/10/26/345171026.db2.gz LTEHYJRISQOECQ-VXNVDRBHSA-N 0 3 181.239 0.222 20 0 ACADHN C[C@@H]1CN(Cc2cnc[nH]2)C[C@@H]1O 306288079 345171073 /nfs/dbraw/zinc/17/10/73/345171073.db2.gz LTEHYJRISQOECQ-APPZFPTMSA-N 0 3 181.239 0.222 20 0 ACADHN CC[C@H](C)[C@H](N)C(=O)Nc1nc[nH]n1 306291958 345174417 /nfs/dbraw/zinc/17/44/17/345174417.db2.gz ULZUGVFFUHDQKN-WDSKDSINSA-N 0 3 197.242 0.117 20 0 ACADHN C[C@@H](N)c1cn(C2CC2)nn1 306334185 345210471 /nfs/dbraw/zinc/21/04/71/345210471.db2.gz FSRTWMKAADMLOZ-RXMQYKEDSA-N 0 3 152.201 0.633 20 0 ACADHN CCCON1CCNCC1 306299578 345180488 /nfs/dbraw/zinc/18/04/88/345180488.db2.gz KRBDJSXSFRWHSX-UHFFFAOYSA-N 0 3 144.218 0.233 20 0 ACADHN CCc1cccnc1NC(=O)[C@@H](C)N 306310358 345189535 /nfs/dbraw/zinc/18/95/35/345189535.db2.gz TZODBBZUKWMYLL-SSDOTTSWSA-N 0 3 193.250 0.930 20 0 ACADHN Cc1cc(NC(=O)[C@@H](C)N)sn1 306314009 345193181 /nfs/dbraw/zinc/19/31/81/345193181.db2.gz YGSKPVWFRNKZNL-RXMQYKEDSA-N 0 3 185.252 0.737 20 0 ACADHN CC(C)N(C)[C@@H]1COC[C@H]1O 306320739 345198838 /nfs/dbraw/zinc/19/88/38/345198838.db2.gz SXHQNLTYFZLOLJ-HTQZYQBOSA-N 0 3 159.229 0.086 20 0 ACADHN CN1CC[C@H](N)[C@H]1c1cn(C)cn1 306322162 345199970 /nfs/dbraw/zinc/19/99/70/345199970.db2.gz ULAACDHODZQEAH-CBAPKCEASA-N 0 3 180.255 0.124 20 0 ACADHN CN1CC[C@@H](N)[C@@H]1c1cn(C)cn1 306322201 345200056 /nfs/dbraw/zinc/20/00/56/345200056.db2.gz ULAACDHODZQEAH-VXNVDRBHSA-N 0 3 180.255 0.124 20 0 ACADHN CN1CC[C@H](N)[C@@H]1c1cn(C)cn1 306322181 345200088 /nfs/dbraw/zinc/20/00/88/345200088.db2.gz ULAACDHODZQEAH-IONNQARKSA-N 0 3 180.255 0.124 20 0 ACADHN CN1CC[C@@H](N)[C@H]1c1cn(C)cn1 306322141 345200367 /nfs/dbraw/zinc/20/03/67/345200367.db2.gz ULAACDHODZQEAH-APPZFPTMSA-N 0 3 180.255 0.124 20 0 ACADHN CNC(=O)CN(C)[C@@H]1CC[C@H](C)C1 306323945 345201437 /nfs/dbraw/zinc/20/14/37/345201437.db2.gz NBSDQIPUMIZEIM-DTWKUNHWSA-N 0 3 184.283 0.853 20 0 ACADHN CNC(=O)CN(C)[C@H]1CC[C@@H](C)C1 306323944 345201452 /nfs/dbraw/zinc/20/14/52/345201452.db2.gz NBSDQIPUMIZEIM-BDAKNGLRSA-N 0 3 184.283 0.853 20 0 ACADHN CNC(=O)CN(C)[C@@H]1CC[C@@H](C)C1 306323948 345201566 /nfs/dbraw/zinc/20/15/66/345201566.db2.gz NBSDQIPUMIZEIM-RKDXNWHRSA-N 0 3 184.283 0.853 20 0 ACADHN CCn1nccc1NC(=O)[C@@H](C)N 306323560 345201576 /nfs/dbraw/zinc/20/15/76/345201576.db2.gz VLDGKTHJXIWKMP-ZCFIWIBFSA-N 0 3 182.227 0.189 20 0 ACADHN CNC(=O)CN(C)[C@H]1CC[C@H](C)C1 306323947 345201696 /nfs/dbraw/zinc/20/16/96/345201696.db2.gz NBSDQIPUMIZEIM-IUCAKERBSA-N 0 3 184.283 0.853 20 0 ACADHN CCC1CCN(CC(=O)NC)CC1 306326341 345204373 /nfs/dbraw/zinc/20/43/73/345204373.db2.gz MEWKTPHHZNFWJQ-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN C[C@H]1CCC[C@H](C)N(CC(N)=O)C1 306327817 345205381 /nfs/dbraw/zinc/20/53/81/345205381.db2.gz AGURFRDACFCUIP-IUCAKERBSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H]1CCC[C@@H](C)N(CC(N)=O)C1 306327816 345205597 /nfs/dbraw/zinc/20/55/97/345205597.db2.gz AGURFRDACFCUIP-DTWKUNHWSA-N 0 3 184.283 0.982 20 0 ACADHN Cc1noc(C)c1NC(=O)[C@@H](C)N 306328220 345205631 /nfs/dbraw/zinc/20/56/31/345205631.db2.gz YHWNGVDSYUXTQG-SCSAIBSYSA-N 0 3 183.211 0.577 20 0 ACADHN CC1(C)CCCN([C@@H]2COC[C@H]2O)C1 306329770 345206708 /nfs/dbraw/zinc/20/67/08/345206708.db2.gz ZWLLOVBYXMJUEC-NXEZZACHSA-N 0 3 199.294 0.868 20 0 ACADHN CC1(C)CCCN([C@H]2COC[C@H]2O)C1 306329776 345206858 /nfs/dbraw/zinc/20/68/58/345206858.db2.gz ZWLLOVBYXMJUEC-VHSXEESVSA-N 0 3 199.294 0.868 20 0 ACADHN CN(C(=O)[C@@H]1CCCN1C)C1CC1 306333265 345209837 /nfs/dbraw/zinc/20/98/37/345209837.db2.gz SRECUWJFGSZHDL-VIFPVBQESA-N 0 3 182.267 0.701 20 0 ACADHN CN(C(=O)[C@H]1CCCN1C)C1CC1 306333263 345210060 /nfs/dbraw/zinc/21/00/60/345210060.db2.gz SRECUWJFGSZHDL-SECBINFHSA-N 0 3 182.267 0.701 20 0 ACADHN C[C@H](N)c1cn(C2CC2)nn1 306334187 345210592 /nfs/dbraw/zinc/21/05/92/345210592.db2.gz FSRTWMKAADMLOZ-YFKPBYRVSA-N 0 3 152.201 0.633 20 0 ACADHN CCc1cnc(NC(=O)[C@@H](C)N)s1 306334289 345210727 /nfs/dbraw/zinc/21/07/27/345210727.db2.gz UJOKKLCKWRHAOE-RXMQYKEDSA-N 0 3 199.279 0.991 20 0 ACADHN CC(C)(C)NC(=O)[C@H]1NCC1(C)C 306334647 345211038 /nfs/dbraw/zinc/21/10/38/345211038.db2.gz IWHBLVCILWHFOJ-SSDOTTSWSA-N 0 3 184.283 0.899 20 0 ACADHN CC(C)(C)NC(=O)[C@@H]1NCC1(C)C 306334649 345211097 /nfs/dbraw/zinc/21/10/97/345211097.db2.gz IWHBLVCILWHFOJ-ZETCQYMHSA-N 0 3 184.283 0.899 20 0 ACADHN CNC(=O)CN1CC[C@@H](C)C1 306344700 345218815 /nfs/dbraw/zinc/21/88/15/345218815.db2.gz CPRHXJQKKHJJPT-SSDOTTSWSA-N 0 3 156.229 0.074 20 0 ACADHN CNC(=O)CN1CC[C@H](C)C1 306344702 345218836 /nfs/dbraw/zinc/21/88/36/345218836.db2.gz CPRHXJQKKHJJPT-ZETCQYMHSA-N 0 3 156.229 0.074 20 0 ACADHN C[C@H]1[NH2+]CC[C@@H]1[N-]C(=O)C(C)(F)F 306346222 345219847 /nfs/dbraw/zinc/21/98/47/345219847.db2.gz QRUZWKMZLMYOSH-RITPCOANSA-N 0 3 192.209 0.508 20 0 ACADHN C[C@H]1C[C@H](O)CN1Cc1cnc[nH]1 306346241 345220031 /nfs/dbraw/zinc/22/00/31/345220031.db2.gz QTKXDVDSVVPUDM-CBAPKCEASA-N 0 3 181.239 0.365 20 0 ACADHN CNC(=O)CN1CCCC[C@H](C)C1 306345919 345220046 /nfs/dbraw/zinc/22/00/46/345220046.db2.gz FFEUEPRKIQPZJR-VIFPVBQESA-N 0 3 184.283 0.854 20 0 ACADHN CNC(=O)CN1CCCC[C@@H](C)C1 306345918 345220193 /nfs/dbraw/zinc/22/01/93/345220193.db2.gz FFEUEPRKIQPZJR-SECBINFHSA-N 0 3 184.283 0.854 20 0 ACADHN C[C@H]1C[C@@H](O)CN1Cc1cnc[nH]1 306346242 345220366 /nfs/dbraw/zinc/22/03/66/345220366.db2.gz QTKXDVDSVVPUDM-IONNQARKSA-N 0 3 181.239 0.365 20 0 ACADHN NC(=O)CN1CC2CCC1CC2 306346724 345220563 /nfs/dbraw/zinc/22/05/63/345220563.db2.gz RAJXZNGVQNTGBP-UHFFFAOYSA-N 0 3 168.240 0.346 20 0 ACADHN CN1C[C@@H](CN2CCCC2)OC1=O 306347116 345221203 /nfs/dbraw/zinc/22/12/03/345221203.db2.gz QPRJIOVGPNDMSE-QMMMGPOBSA-N 0 3 184.239 0.533 20 0 ACADHN CN1C[C@H](CN2CCCC2)OC1=O 306347115 345221426 /nfs/dbraw/zinc/22/14/26/345221426.db2.gz QPRJIOVGPNDMSE-MRVPVSSYSA-N 0 3 184.239 0.533 20 0 ACADHN CCCN1CCCNC(=O)[C@@H]1C 306352242 345225106 /nfs/dbraw/zinc/22/51/06/345225106.db2.gz ZCLNXGHIMPGDFA-QMMMGPOBSA-N 0 3 170.256 0.607 20 0 ACADHN CC1(C)CN[C@H]1C(=O)NC1CC1 306354005 345225847 /nfs/dbraw/zinc/22/58/47/345225847.db2.gz BLTOQWVQKDUGCH-ZETCQYMHSA-N 0 3 168.240 0.263 20 0 ACADHN CC1(C)CN[C@@H]1C(=O)NC1CC1 306354004 345226064 /nfs/dbraw/zinc/22/60/64/345226064.db2.gz BLTOQWVQKDUGCH-SSDOTTSWSA-N 0 3 168.240 0.263 20 0 ACADHN CN(C(=O)[C@@]1(F)CCNC1)C1CC1 306357747 345228669 /nfs/dbraw/zinc/22/86/69/345228669.db2.gz WIRPSPLRYHDQSL-SECBINFHSA-N 0 3 186.230 0.309 20 0 ACADHN CN(C)C1CN(c2ncccn2)C1 306360432 345230772 /nfs/dbraw/zinc/23/07/72/345230772.db2.gz ANTOXAKMHURHRW-UHFFFAOYSA-N 0 3 178.239 0.227 20 0 ACADHN C[C@H]1OCC[C@@H]1NC1CSC1 306361232 345231135 /nfs/dbraw/zinc/23/11/35/345231135.db2.gz ORLARMKYJCJQJX-SVRRBLITSA-N 0 3 173.281 0.869 20 0 ACADHN C[C@H]1OCC[C@H]1NC1CSC1 306361230 345231239 /nfs/dbraw/zinc/23/12/39/345231239.db2.gz ORLARMKYJCJQJX-HTRCEHHLSA-N 0 3 173.281 0.869 20 0 ACADHN C[C@@H]1OCC[C@H]1NC1CSC1 306361231 345231352 /nfs/dbraw/zinc/23/13/52/345231352.db2.gz ORLARMKYJCJQJX-POYBYMJQSA-N 0 3 173.281 0.869 20 0 ACADHN C[C@@H]1OCC[C@@H]1NC1CSC1 306361233 345231413 /nfs/dbraw/zinc/23/14/13/345231413.db2.gz ORLARMKYJCJQJX-XPUUQOCRSA-N 0 3 173.281 0.869 20 0 ACADHN CC[C@@]1(C)CCN(CC(=O)NC)C1 306362010 345231731 /nfs/dbraw/zinc/23/17/31/345231731.db2.gz QYXLXOWVVORLNK-JTQLQIEISA-N 0 3 184.283 0.854 20 0 ACADHN CC[C@]1(C)CCN(CC(=O)NC)C1 306362011 345231907 /nfs/dbraw/zinc/23/19/07/345231907.db2.gz QYXLXOWVVORLNK-SNVBAGLBSA-N 0 3 184.283 0.854 20 0 ACADHN C[C@H]1CN(CC(=O)N(C)C)C[C@@H]1C 306362299 345232412 /nfs/dbraw/zinc/23/24/12/345232412.db2.gz SBWPAGCTZFPOML-IUCAKERBSA-N 0 3 184.283 0.662 20 0 ACADHN CC1(C[C@H](N)C(N)=O)CCC1 306374775 345242106 /nfs/dbraw/zinc/24/21/06/345242106.db2.gz WAGJOKLYXYZDSP-LURJTMIESA-N 0 3 156.229 0.379 20 0 ACADHN CC1(C[C@@H](N)C(N)=O)CCC1 306374776 345242189 /nfs/dbraw/zinc/24/21/89/345242189.db2.gz WAGJOKLYXYZDSP-ZCFIWIBFSA-N 0 3 156.229 0.379 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1CCS[C@H]1C 306377288 345243694 /nfs/dbraw/zinc/24/36/94/345243694.db2.gz FDXXYMCPRYBIJA-LYFYHCNISA-N 0 3 188.296 0.344 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1CCS[C@@H]1C 306377295 345243941 /nfs/dbraw/zinc/24/39/41/345243941.db2.gz FDXXYMCPRYBIJA-RRKCRQDMSA-N 0 3 188.296 0.344 20 0 ACADHN C[C@H](N)C(=O)N[C@H]1CCS[C@@H]1C 306377304 345243949 /nfs/dbraw/zinc/24/39/49/345243949.db2.gz FDXXYMCPRYBIJA-XVMARJQXSA-N 0 3 188.296 0.344 20 0 ACADHN C[C@H](N)C(=O)N[C@H]1CCS[C@H]1C 306377281 345243967 /nfs/dbraw/zinc/24/39/67/345243967.db2.gz FDXXYMCPRYBIJA-ACZMJKKPSA-N 0 3 188.296 0.344 20 0 ACADHN CC(F)(F)C(=O)[N-][C@@H]1CC[NH2+]C1 306382604 345247914 /nfs/dbraw/zinc/24/79/14/345247914.db2.gz BDZKIQYBNSOLJW-RXMQYKEDSA-N 0 3 178.182 0.120 20 0 ACADHN CC(F)(F)C(=O)[N-][C@H]1CC[NH2+]C1 306382605 345247979 /nfs/dbraw/zinc/24/79/79/345247979.db2.gz BDZKIQYBNSOLJW-YFKPBYRVSA-N 0 3 178.182 0.120 20 0 ACADHN CCN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O 306383754 345248973 /nfs/dbraw/zinc/24/89/73/345248973.db2.gz QKCBYVVIYFMKLC-CIUDSAMLSA-N 0 3 182.267 0.592 20 0 ACADHN CCN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O 306383756 345249030 /nfs/dbraw/zinc/24/90/30/345249030.db2.gz QKCBYVVIYFMKLC-DJLDLDEBSA-N 0 3 182.267 0.592 20 0 ACADHN CCN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O 306383759 345249080 /nfs/dbraw/zinc/24/90/80/345249080.db2.gz QKCBYVVIYFMKLC-YIZRAAEISA-N 0 3 182.267 0.592 20 0 ACADHN CCN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O 306383758 345249140 /nfs/dbraw/zinc/24/91/40/345249140.db2.gz QKCBYVVIYFMKLC-XHNCKOQMSA-N 0 3 182.267 0.592 20 0 ACADHN CC(C)(N)c1cn(C2CC2)nn1 306385713 345250847 /nfs/dbraw/zinc/25/08/47/345250847.db2.gz RNYJAZBGOVNGLO-UHFFFAOYSA-N 0 3 166.228 0.807 20 0 ACADHN CC1=CCN([C@H]2COC[C@H]2O)CC1 306388862 345252438 /nfs/dbraw/zinc/25/24/38/345252438.db2.gz WBQKXGRGYZCHLQ-VHSXEESVSA-N 0 3 183.251 0.398 20 0 ACADHN CC1=CCN([C@@H]2COC[C@H]2O)CC1 306388861 345252655 /nfs/dbraw/zinc/25/26/55/345252655.db2.gz WBQKXGRGYZCHLQ-NXEZZACHSA-N 0 3 183.251 0.398 20 0 ACADHN C[C@@H](C(N)=O)N1CC[C@@H](C)[C@@H]1C 306390367 345253662 /nfs/dbraw/zinc/25/36/62/345253662.db2.gz YLXQWPSKDGTICX-CSMHCCOUSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@H]1[C@H](C)CCN1[C@H](C)C(N)=O 306390368 345253672 /nfs/dbraw/zinc/25/36/72/345253672.db2.gz YLXQWPSKDGTICX-GJMOJQLCSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@@H]1CCN([C@H](C)C(N)=O)[C@@H]1C 306390366 345253686 /nfs/dbraw/zinc/25/36/86/345253686.db2.gz YLXQWPSKDGTICX-BWZBUEFSSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@@H](C(N)=O)N1CC[C@@H](C)[C@H]1C 306390369 345253877 /nfs/dbraw/zinc/25/38/77/345253877.db2.gz YLXQWPSKDGTICX-PRJMDXOYSA-N 0 3 170.256 0.591 20 0 ACADHN Cc1ccc(NC(=O)[C@H](C)N)c(O)c1 306394707 345257199 /nfs/dbraw/zinc/25/71/99/345257199.db2.gz GCMHARDIUDHKHK-ZETCQYMHSA-N 0 3 194.234 0.986 20 0 ACADHN C[C@H](N)C(=O)Nc1ccc[nH]c1=O 306397279 345258696 /nfs/dbraw/zinc/25/86/96/345258696.db2.gz HZSHGYNMURYADH-YFKPBYRVSA-N 0 3 181.195 0.073 20 0 ACADHN O[C@H]1CCN(CCc2cn[nH]c2)C1 306401077 345262290 /nfs/dbraw/zinc/26/22/90/345262290.db2.gz LOXSINBXDBWUHE-VIFPVBQESA-N 0 3 181.239 0.019 20 0 ACADHN O=C1CN(CC2CC2)CCCN1 306402223 345262884 /nfs/dbraw/zinc/26/28/84/345262884.db2.gz QGNMYWUPQHBJQN-UHFFFAOYSA-N 0 3 168.240 0.218 20 0 ACADHN NCC(=O)N1CC[C@@H](C(F)(F)F)C1 306410903 345270308 /nfs/dbraw/zinc/27/03/08/345270308.db2.gz MHMQZFDHEGGPHQ-RXMQYKEDSA-N 0 3 196.172 0.356 20 0 ACADHN NCC(=O)N1CC[C@H](C(F)(F)F)C1 306410904 345270340 /nfs/dbraw/zinc/27/03/40/345270340.db2.gz MHMQZFDHEGGPHQ-YFKPBYRVSA-N 0 3 196.172 0.356 20 0 ACADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(N)=O 306413052 345272212 /nfs/dbraw/zinc/27/22/12/345272212.db2.gz NCABIFHEMJHENP-XPUUQOCRSA-N 0 3 183.255 0.137 20 0 ACADHN CCN1CCC(NC(N)=O)CC1 306415587 345273735 /nfs/dbraw/zinc/27/37/35/345273735.db2.gz PXRWISXBUGRYTP-UHFFFAOYSA-N 0 3 171.244 0.139 20 0 ACADHN CN(C)C1CN(c2cnccn2)C1 306419528 345276976 /nfs/dbraw/zinc/27/69/76/345276976.db2.gz VUDXHZYOQGDOCL-UHFFFAOYSA-N 0 3 178.239 0.227 20 0 ACADHN CC[C@H](N)C(=O)Nc1c[nH]ccc1=O 306421269 345278235 /nfs/dbraw/zinc/27/82/35/345278235.db2.gz GYPWEVVLJNZLRH-LURJTMIESA-N 0 3 195.222 0.463 20 0 ACADHN CC[C@@H](N)C(=O)Nc1c[nH]ccc1=O 306421270 345278287 /nfs/dbraw/zinc/27/82/87/345278287.db2.gz GYPWEVVLJNZLRH-ZCFIWIBFSA-N 0 3 195.222 0.463 20 0 ACADHN CCc1nccn1Cc1c[nH]nn1 306422706 345279569 /nfs/dbraw/zinc/27/95/69/345279569.db2.gz AXUJWZGZRKZFIJ-UHFFFAOYSA-N 0 3 177.211 0.612 20 0 ACADHN C[C@H]1CC[C@H](C)N1C(=O)CN 306424251 345280927 /nfs/dbraw/zinc/28/09/27/345280927.db2.gz GBUGFCUJAFLHNT-BQBZGAKWSA-N 0 3 156.229 0.345 20 0 ACADHN C[C@H]1CC[C@H](C)N1CC(=O)N(C)C 306424562 345281936 /nfs/dbraw/zinc/28/19/36/345281936.db2.gz ILMRCDVFAQGTGY-IUCAKERBSA-N 0 3 184.283 0.947 20 0 ACADHN CCCN(C)[C@@H]1COC[C@H]1O 306427403 345284509 /nfs/dbraw/zinc/28/45/09/345284509.db2.gz ZWGMKWKMMOUYRV-HTQZYQBOSA-N 0 3 159.229 0.088 20 0 ACADHN C[C@H]1CC[C@H](N(C)CC(N)=O)C1 306431196 345289349 /nfs/dbraw/zinc/28/93/49/345289349.db2.gz QYWCNZOMAZCCDI-YUMQZZPRSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@H]1CC[C@@H](N(C)CC(N)=O)C1 306431194 345289477 /nfs/dbraw/zinc/28/94/77/345289477.db2.gz QYWCNZOMAZCCDI-JGVFFNPUSA-N 0 3 170.256 0.592 20 0 ACADHN CO[C@@H](CN)c1csnn1 306434751 345294299 /nfs/dbraw/zinc/29/42/99/345294299.db2.gz AHRBWTSHHVRUDZ-YFKPBYRVSA-N 0 3 159.214 0.184 20 0 ACADHN CO[C@H](CN)c1csnn1 306434742 345294397 /nfs/dbraw/zinc/29/43/97/345294397.db2.gz AHRBWTSHHVRUDZ-RXMQYKEDSA-N 0 3 159.214 0.184 20 0 ACADHN C[C@@H]1C[NH2+]C[C@H]1[N-]C(=O)C(C)(F)F 306435667 345295653 /nfs/dbraw/zinc/29/56/53/345295653.db2.gz FAIPWBXLEBVFEA-PHDIDXHHSA-N 0 3 192.209 0.366 20 0 ACADHN CC1CC(NC2(C(N)=O)CC2)C1 306435451 345295870 /nfs/dbraw/zinc/29/58/70/345295870.db2.gz FMTPCPGKOZMWOZ-UHFFFAOYSA-N 0 3 168.240 0.392 20 0 ACADHN c1snnc1COC1CNC1 306436119 345296604 /nfs/dbraw/zinc/29/66/04/345296604.db2.gz CDZRMPRSQFMKLW-UHFFFAOYSA-N 0 3 171.225 0.027 20 0 ACADHN C[C@@H](N)C(=O)Nc1ccc[nH]c1=O 306440412 345300639 /nfs/dbraw/zinc/30/06/39/345300639.db2.gz HZSHGYNMURYADH-RXMQYKEDSA-N 0 3 181.195 0.073 20 0 ACADHN CN(CC1CC1)[C@@H]1COC[C@H]1O 306444585 345304879 /nfs/dbraw/zinc/30/48/79/345304879.db2.gz RRRVYKCBOZEKPV-RKDXNWHRSA-N 0 3 171.240 0.088 20 0 ACADHN C[C@H]1[C@H](C)N(CCCO)CCN1C 306448978 345309114 /nfs/dbraw/zinc/30/91/14/345309114.db2.gz XNSBFKBJIJMWGW-UWVGGRQHSA-N 0 3 186.299 0.393 20 0 ACADHN C[C@H]1[C@@H](C)N(CCCO)CCN1C 306448979 345309156 /nfs/dbraw/zinc/30/91/56/345309156.db2.gz XNSBFKBJIJMWGW-VHSXEESVSA-N 0 3 186.299 0.393 20 0 ACADHN C[C@H]1[C@@H](C)N(C)CCN1CCCO 306448980 345309247 /nfs/dbraw/zinc/30/92/47/345309247.db2.gz XNSBFKBJIJMWGW-ZJUUUORDSA-N 0 3 186.299 0.393 20 0 ACADHN CC(C)N[C@@H]1CCS(=O)(=O)[C@@H]1C 306450656 345311041 /nfs/dbraw/zinc/31/10/41/345311041.db2.gz ZIGPNBPMROZNLE-HTQZYQBOSA-N 0 3 191.296 0.560 20 0 ACADHN CN1CC[C@H](N2CCCC2)C1=O 306450881 345311057 /nfs/dbraw/zinc/31/10/57/345311057.db2.gz QZOFJCVXECFUJC-QMMMGPOBSA-N 0 3 168.240 0.313 20 0 ACADHN CC(C)N[C@H]1CCS(=O)(=O)[C@H]1C 306450662 345311182 /nfs/dbraw/zinc/31/11/82/345311182.db2.gz ZIGPNBPMROZNLE-YUMQZZPRSA-N 0 3 191.296 0.560 20 0 ACADHN O[C@@H]1CCN(CCc2cn[nH]c2)C1 306454500 345314683 /nfs/dbraw/zinc/31/46/83/345314683.db2.gz LOXSINBXDBWUHE-SECBINFHSA-N 0 3 181.239 0.019 20 0 ACADHN OC[C@@H]1CCN(Cc2cn[nH]c2)C1 306456938 345316384 /nfs/dbraw/zinc/31/63/84/345316384.db2.gz XJJHNEXHXVNQCF-MRVPVSSYSA-N 0 3 181.239 0.224 20 0 ACADHN CC1(C)CC[C@H]1NCC(N)=O 306458848 345318111 /nfs/dbraw/zinc/31/81/11/345318111.db2.gz DCNWFQYSYQHZAM-ZCFIWIBFSA-N 0 3 156.229 0.250 20 0 ACADHN CC1(C)CC[C@@H]1NCC(N)=O 306458847 345318237 /nfs/dbraw/zinc/31/82/37/345318237.db2.gz DCNWFQYSYQHZAM-LURJTMIESA-N 0 3 156.229 0.250 20 0 ACADHN CO[C@@H]1CCCC[C@H]1NC(=O)CN 306467644 345328622 /nfs/dbraw/zinc/32/86/22/345328622.db2.gz MPVMDCBXXISOEE-HTQZYQBOSA-N 0 3 186.255 0.019 20 0 ACADHN CC[C@@H](F)CN1CC[C@H](O)C1 306468109 345329089 /nfs/dbraw/zinc/32/90/89/345329089.db2.gz RQNBNGNLHNKOKA-SFYZADRCSA-N 0 3 161.220 0.801 20 0 ACADHN CC[C@H](F)CN1CC[C@H](O)C1 306468110 345329211 /nfs/dbraw/zinc/32/92/11/345329211.db2.gz RQNBNGNLHNKOKA-YUMQZZPRSA-N 0 3 161.220 0.801 20 0 ACADHN CC[C@H](F)CN1CC[C@@H](O)C1 306468108 345329232 /nfs/dbraw/zinc/32/92/32/345329232.db2.gz RQNBNGNLHNKOKA-JGVFFNPUSA-N 0 3 161.220 0.801 20 0 ACADHN CC[C@@H](F)CN1CC[C@@H](O)C1 306468107 345329495 /nfs/dbraw/zinc/32/94/95/345329495.db2.gz RQNBNGNLHNKOKA-HTQZYQBOSA-N 0 3 161.220 0.801 20 0 ACADHN Nc1ccncc1OCCO 306468474 345329691 /nfs/dbraw/zinc/32/96/91/345329691.db2.gz SGLGQECVLVCOLH-UHFFFAOYSA-N 0 3 154.169 0.035 20 0 ACADHN C[C@H](NC1CCC1)c1ccc(=O)[nH]n1 306468520 345330546 /nfs/dbraw/zinc/33/05/46/345330546.db2.gz NULHMYFFYFNAAX-ZETCQYMHSA-N 0 3 193.250 0.973 20 0 ACADHN C[C@@H](NC1CCC1)c1ccc(=O)[nH]n1 306468519 345330720 /nfs/dbraw/zinc/33/07/20/345330720.db2.gz NULHMYFFYFNAAX-SSDOTTSWSA-N 0 3 193.250 0.973 20 0 ACADHN CCN(C)C1CCS(=O)CC1 306469707 345332387 /nfs/dbraw/zinc/33/23/87/345332387.db2.gz VNQJGTRMTZQYOI-UHFFFAOYSA-N 0 3 175.297 0.849 20 0 ACADHN C[C@@]1(F)CCN(CCCO)C1 306470755 345334161 /nfs/dbraw/zinc/33/41/61/345334161.db2.gz RBSSKOUKCKQKCH-MRVPVSSYSA-N 0 3 161.220 0.803 20 0 ACADHN C[C@]1(F)CCN(CCCO)C1 306470756 345334175 /nfs/dbraw/zinc/33/41/75/345334175.db2.gz RBSSKOUKCKQKCH-QMMMGPOBSA-N 0 3 161.220 0.803 20 0 ACADHN CC[C@@H]1CCCN1CC(=O)NC 306472062 345335916 /nfs/dbraw/zinc/33/59/16/345335916.db2.gz BOFIWRJSFJKHBT-MRVPVSSYSA-N 0 3 170.256 0.607 20 0 ACADHN CC[C@H]1CCCN1CC(=O)NC 306472066 345335923 /nfs/dbraw/zinc/33/59/23/345335923.db2.gz BOFIWRJSFJKHBT-QMMMGPOBSA-N 0 3 170.256 0.607 20 0 ACADHN CNC1(C(=O)N2CCCC2)CCC1 306473787 345338325 /nfs/dbraw/zinc/33/83/25/345338325.db2.gz FCTNWCBFWNTPTB-UHFFFAOYSA-N 0 3 182.267 0.751 20 0 ACADHN CC[C@@H](C(=O)NC)N(C)C 306474594 345339415 /nfs/dbraw/zinc/33/94/15/345339415.db2.gz MZNGOMKMGOZWBH-LURJTMIESA-N 0 3 144.218 0.073 20 0 ACADHN C[C@@H]1CN(CCF)C[C@H]1O 306475281 345340345 /nfs/dbraw/zinc/34/03/45/345340345.db2.gz QTLMDCGBXTVYSY-RNFRBKRXSA-N 0 3 147.193 0.269 20 0 ACADHN C[C@@H]1CN(CCF)C[C@@H]1O 306475282 345340560 /nfs/dbraw/zinc/34/05/60/345340560.db2.gz QTLMDCGBXTVYSY-RQJHMYQMSA-N 0 3 147.193 0.269 20 0 ACADHN C[C@H]1CN(CCF)C[C@H]1O 306475279 345340594 /nfs/dbraw/zinc/34/05/94/345340594.db2.gz QTLMDCGBXTVYSY-NKWVEPMBSA-N 0 3 147.193 0.269 20 0 ACADHN CC(C)NC(=O)CN1CCC[C@@H]1C 306477597 345343901 /nfs/dbraw/zinc/34/39/01/345343901.db2.gz GYUSGSNWXCFZJK-VIFPVBQESA-N 0 3 184.283 0.995 20 0 ACADHN CC(C)NC(=O)CN1CCC[C@H]1C 306477587 345343918 /nfs/dbraw/zinc/34/39/18/345343918.db2.gz GYUSGSNWXCFZJK-SECBINFHSA-N 0 3 184.283 0.995 20 0 ACADHN OC1CCC(COC2CNC2)CC1 306478187 345344340 /nfs/dbraw/zinc/34/43/40/345344340.db2.gz ADTAQNAIPLTMND-UHFFFAOYSA-N 0 3 185.267 0.526 20 0 ACADHN C[C@@H](N)C(=O)NCc1ccc(F)cn1 306479027 345345792 /nfs/dbraw/zinc/34/57/92/345345792.db2.gz ARVDUDKOKBPUJA-ZCFIWIBFSA-N 0 3 197.213 0.184 20 0 ACADHN CN(C)C(=O)[C@H]1NCC1(C)C 306479351 345346137 /nfs/dbraw/zinc/34/61/37/345346137.db2.gz LVHADWZESRCZFB-ZCFIWIBFSA-N 0 3 156.229 0.073 20 0 ACADHN CN(C)C(=O)[C@@H]1NCC1(C)C 306479349 345346212 /nfs/dbraw/zinc/34/62/12/345346212.db2.gz LVHADWZESRCZFB-LURJTMIESA-N 0 3 156.229 0.073 20 0 ACADHN CSC[C@@H](O)CN1CCC1 306480833 345348419 /nfs/dbraw/zinc/34/84/19/345348419.db2.gz IPDULTYNZUJUQR-ZETCQYMHSA-N 0 3 161.270 0.416 20 0 ACADHN CSC[C@H](O)CN1CCC1 306480832 345348442 /nfs/dbraw/zinc/34/84/42/345348442.db2.gz IPDULTYNZUJUQR-SSDOTTSWSA-N 0 3 161.270 0.416 20 0 ACADHN C[C@H](O)CN1CCOC[C@@H]1C1CC1 306481047 345349327 /nfs/dbraw/zinc/34/93/27/345349327.db2.gz CSBFJIPYSPFMKM-WCBMZHEXSA-N 0 3 185.267 0.478 20 0 ACADHN C[C@H](O)CN1CCOC[C@H]1C1CC1 306481048 345349434 /nfs/dbraw/zinc/34/94/34/345349434.db2.gz CSBFJIPYSPFMKM-WPRPVWTQSA-N 0 3 185.267 0.478 20 0 ACADHN CCNCC(=O)Nc1ccc[nH]c1=O 306487366 345357948 /nfs/dbraw/zinc/35/79/48/345357948.db2.gz JBFQFZWLLYTGEA-UHFFFAOYSA-N 0 3 195.222 0.335 20 0 ACADHN Cc1cnccc1NC(=O)[C@H]1CCN1 306487903 345358100 /nfs/dbraw/zinc/35/81/00/345358100.db2.gz JPBBIGIUNIISKY-SECBINFHSA-N 0 3 191.234 0.690 20 0 ACADHN CCN1C[C@@H](NC(C)=O)[C@H](C)C1 306489246 345360553 /nfs/dbraw/zinc/36/05/53/345360553.db2.gz WGHRTBVLADRDEH-VXNVDRBHSA-N 0 3 170.256 0.463 20 0 ACADHN NC(=O)CN1CCC[C@@H]1C1CC1 306489252 345360675 /nfs/dbraw/zinc/36/06/75/345360675.db2.gz WHMSHWARXBKVSC-MRVPVSSYSA-N 0 3 168.240 0.346 20 0 ACADHN CC1(C)CN(CCO)C(C)(C)CO1 306489428 345360681 /nfs/dbraw/zinc/36/06/81/345360681.db2.gz MADPYUNIAAVONO-UHFFFAOYSA-N 0 3 187.283 0.868 20 0 ACADHN NC(=O)CN1CCC[C@H]1C1CC1 306489253 345360913 /nfs/dbraw/zinc/36/09/13/345360913.db2.gz WHMSHWARXBKVSC-QMMMGPOBSA-N 0 3 168.240 0.346 20 0 ACADHN COc1ccnc(NC(=O)[C@H](C)N)c1 306490136 345362018 /nfs/dbraw/zinc/36/20/18/345362018.db2.gz MMOPGLMTJRMRQT-LURJTMIESA-N 0 3 195.222 0.376 20 0 ACADHN NCC(=O)N1C[C@H]2CC=CC[C@H]2C1 306490374 345362696 /nfs/dbraw/zinc/36/26/96/345362696.db2.gz NEHQXOGLTHQAIJ-DTORHVGOSA-N 0 3 180.251 0.370 20 0 ACADHN CN1CC[C@]2(CCN(C(N)=O)C2)C1 306490729 345362969 /nfs/dbraw/zinc/36/29/69/345362969.db2.gz NIXNWLPRTZYXCK-VIFPVBQESA-N 0 3 183.255 0.093 20 0 ACADHN CN1CC[C@@]2(CCN(C(N)=O)C2)C1 306490728 345363170 /nfs/dbraw/zinc/36/31/70/345363170.db2.gz NIXNWLPRTZYXCK-SECBINFHSA-N 0 3 183.255 0.093 20 0 ACADHN C[C@@H](O)[C@@H]1CCN(Cc2cn[nH]c2)C1 306497860 345371622 /nfs/dbraw/zinc/37/16/22/345371622.db2.gz CACYOIRTHFWRBP-PSASIEDQSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@@H](O)[C@H]1CCN(Cc2cn[nH]c2)C1 306497861 345371648 /nfs/dbraw/zinc/37/16/48/345371648.db2.gz CACYOIRTHFWRBP-SCZZXKLOSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@H](O)[C@H]1CCN(Cc2cn[nH]c2)C1 306497863 345371662 /nfs/dbraw/zinc/37/16/62/345371662.db2.gz CACYOIRTHFWRBP-WPRPVWTQSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@H](O)[C@@H]1CCN(Cc2cn[nH]c2)C1 306497862 345371822 /nfs/dbraw/zinc/37/18/22/345371822.db2.gz CACYOIRTHFWRBP-WCBMZHEXSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@@H]1CCN(Cc2cn[nH]c2)[C@H]1CO 306503045 345376757 /nfs/dbraw/zinc/37/67/57/345376757.db2.gz UWFYELSBJXUQJY-SCZZXKLOSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@@H]1CCN(Cc2cn[nH]c2)[C@@H]1CO 306503044 345376767 /nfs/dbraw/zinc/37/67/67/345376767.db2.gz UWFYELSBJXUQJY-PSASIEDQSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@H]1CCN(Cc2cn[nH]c2)[C@@H]1CO 306503046 345376890 /nfs/dbraw/zinc/37/68/90/345376890.db2.gz UWFYELSBJXUQJY-WCBMZHEXSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@H]1CCN(Cc2cn[nH]c2)[C@H]1CO 306503047 345376904 /nfs/dbraw/zinc/37/69/04/345376904.db2.gz UWFYELSBJXUQJY-WPRPVWTQSA-N 0 3 195.266 0.612 20 0 ACADHN CCn1cc(NC(=O)[C@H]2CCN2)cn1 306507551 345380260 /nfs/dbraw/zinc/38/02/60/345380260.db2.gz YDJZJOCJXLPOCB-MRVPVSSYSA-N 0 3 194.238 0.203 20 0 ACADHN C[C@@H]1COCCCN1CCO 306533014 345405129 /nfs/dbraw/zinc/40/51/29/345405129.db2.gz JWCNZJVRNUXKPX-MRVPVSSYSA-N 0 3 159.229 0.090 20 0 ACADHN C[C@H]1CCC[C@H](C)N(C(=O)CN)C1 306518004 345389183 /nfs/dbraw/zinc/38/91/83/345389183.db2.gz BGNINVQUCBCMEE-IUCAKERBSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H]1CCC[C@@H](C)N(C(=O)CN)C1 306518003 345389485 /nfs/dbraw/zinc/38/94/85/345389485.db2.gz BGNINVQUCBCMEE-DTWKUNHWSA-N 0 3 184.283 0.982 20 0 ACADHN NC1(C(=O)N2CCC=C(F)C2)CC1 306519121 345390614 /nfs/dbraw/zinc/39/06/14/345390614.db2.gz IDPWEBSJCXYJLW-UHFFFAOYSA-N 0 3 184.214 0.563 20 0 ACADHN CC1(C)CC(NC2(C(N)=O)CC2)C1 306527745 345399347 /nfs/dbraw/zinc/39/93/47/345399347.db2.gz YMORJZYJJYJOSF-UHFFFAOYSA-N 0 3 182.267 0.783 20 0 ACADHN C[C@H]1COCCCN1CCO 306533015 345405140 /nfs/dbraw/zinc/40/51/40/345405140.db2.gz JWCNZJVRNUXKPX-QMMMGPOBSA-N 0 3 159.229 0.090 20 0 ACADHN CCC(=O)N1[C@H](C)CN[C@@H](C)[C@H]1C 306534321 345406902 /nfs/dbraw/zinc/40/69/02/345406902.db2.gz ODUKHHGXABKWGY-HRDYMLBCSA-N 0 3 184.283 0.994 20 0 ACADHN CCC(=O)N1[C@H](C)CN[C@H](C)[C@H]1C 306534322 345407053 /nfs/dbraw/zinc/40/70/53/345407053.db2.gz ODUKHHGXABKWGY-IWSPIJDZSA-N 0 3 184.283 0.994 20 0 ACADHN CCc1[nH]nc(NC(=O)CNC)c1C 306534404 345407081 /nfs/dbraw/zinc/40/70/81/345407081.db2.gz ITTZSCQTJLRUNI-UHFFFAOYSA-N 0 3 196.254 0.438 20 0 ACADHN CC1(NC(=O)[C@H]2NCC2(C)C)CC1 306535024 345407660 /nfs/dbraw/zinc/40/76/60/345407660.db2.gz LLPGAIQKJKJCSQ-SSDOTTSWSA-N 0 3 182.267 0.653 20 0 ACADHN CC1(NC(=O)[C@@H]2NCC2(C)C)CC1 306535025 345407881 /nfs/dbraw/zinc/40/78/81/345407881.db2.gz LLPGAIQKJKJCSQ-ZETCQYMHSA-N 0 3 182.267 0.653 20 0 ACADHN CC[C@@H](C)N1CCc2nn[nH]c2C1 306537107 345409976 /nfs/dbraw/zinc/40/99/76/345409976.db2.gz LCERTMPOPOGOCX-SSDOTTSWSA-N 0 3 180.255 0.961 20 0 ACADHN CC[C@@H](C)N1CCc2n[nH]nc2C1 306537107 345409978 /nfs/dbraw/zinc/40/99/78/345409978.db2.gz LCERTMPOPOGOCX-SSDOTTSWSA-N 0 3 180.255 0.961 20 0 ACADHN CC[C@H](C)N1CCc2nn[nH]c2C1 306537109 345410261 /nfs/dbraw/zinc/41/02/61/345410261.db2.gz LCERTMPOPOGOCX-ZETCQYMHSA-N 0 3 180.255 0.961 20 0 ACADHN CC[C@H](C)N1CCc2n[nH]nc2C1 306537109 345410262 /nfs/dbraw/zinc/41/02/62/345410262.db2.gz LCERTMPOPOGOCX-ZETCQYMHSA-N 0 3 180.255 0.961 20 0 ACADHN CCn1nccc1NC(=O)[C@H]1CCN1 306539425 345413189 /nfs/dbraw/zinc/41/31/89/345413189.db2.gz NHPPOMJSVDQHJG-SSDOTTSWSA-N 0 3 194.238 0.203 20 0 ACADHN CC(C)(F)C(=O)N1CCCNCC1 306539370 345413409 /nfs/dbraw/zinc/41/34/09/345413409.db2.gz UWSPPYHTJYTYEB-UHFFFAOYSA-N 0 3 188.246 0.556 20 0 ACADHN CNC(=O)CN1CC[C@@H](C2CC2)C1 306539615 345413835 /nfs/dbraw/zinc/41/38/35/345413835.db2.gz QOVNICRGKWXPTB-SECBINFHSA-N 0 3 182.267 0.464 20 0 ACADHN CNC(=O)CN1CC[C@H](C2CC2)C1 306539628 345413880 /nfs/dbraw/zinc/41/38/80/345413880.db2.gz QOVNICRGKWXPTB-VIFPVBQESA-N 0 3 182.267 0.464 20 0 ACADHN CN1C[C@@H]2[C@H](CCN2CC(F)F)C1 306543439 345417618 /nfs/dbraw/zinc/41/76/18/345417618.db2.gz WGLCAONDMLJTEZ-HTQZYQBOSA-N 0 3 190.237 0.887 20 0 ACADHN CN1C[C@H]2CCN(CC(F)F)[C@H]2C1 306543441 345417742 /nfs/dbraw/zinc/41/77/42/345417742.db2.gz WGLCAONDMLJTEZ-SFYZADRCSA-N 0 3 190.237 0.887 20 0 ACADHN CN1C[C@@H]2CCN(CC(F)F)[C@@H]2C1 306543440 345417806 /nfs/dbraw/zinc/41/78/06/345417806.db2.gz WGLCAONDMLJTEZ-JGVFFNPUSA-N 0 3 190.237 0.887 20 0 ACADHN CN1C[C@@H]2CCN(CC(F)F)[C@H]2C1 306543442 345417889 /nfs/dbraw/zinc/41/78/89/345417889.db2.gz WGLCAONDMLJTEZ-YUMQZZPRSA-N 0 3 190.237 0.887 20 0 ACADHN C[C@@H]1CN(CC2OCCO2)C[C@H]1C 306543933 345418180 /nfs/dbraw/zinc/41/81/80/345418180.db2.gz UCGRDMPETLHPPB-RKDXNWHRSA-N 0 3 185.267 0.947 20 0 ACADHN C[C@@H]1CN(CC2OCCO2)C[C@@H]1C 306543931 345418249 /nfs/dbraw/zinc/41/82/49/345418249.db2.gz UCGRDMPETLHPPB-DTORHVGOSA-N 0 3 185.267 0.947 20 0 ACADHN C[C@H]1CN(CC2OCCO2)C[C@@H]1C 306543932 345418275 /nfs/dbraw/zinc/41/82/75/345418275.db2.gz UCGRDMPETLHPPB-IUCAKERBSA-N 0 3 185.267 0.947 20 0 ACADHN C[C@H](N)C(=O)N1[C@H](C)CC[C@H]1C 306544760 345418743 /nfs/dbraw/zinc/41/87/43/345418743.db2.gz YYRIXWMFGNXWEE-PRJMDXOYSA-N 0 3 170.256 0.733 20 0 ACADHN C[C@H](N)C(=O)N1[C@@H](C)CC[C@H]1C 306544761 345418796 /nfs/dbraw/zinc/41/87/96/345418796.db2.gz YYRIXWMFGNXWEE-RNJXMRFFSA-N 0 3 170.256 0.733 20 0 ACADHN C[C@H]1CC[C@@H](C)N1C(=O)[C@@H](C)N 306544759 345418838 /nfs/dbraw/zinc/41/88/38/345418838.db2.gz YYRIXWMFGNXWEE-GJMOJQLCSA-N 0 3 170.256 0.733 20 0 ACADHN CNC(=O)CN1CC[C@H]2CCC[C@H]21 306546564 345421079 /nfs/dbraw/zinc/42/10/79/345421079.db2.gz FBAAGXXPMNRITL-RKDXNWHRSA-N 0 3 182.267 0.607 20 0 ACADHN CNC(=O)CN1CC[C@H]2CCC[C@@H]21 306546561 345421096 /nfs/dbraw/zinc/42/10/96/345421096.db2.gz FBAAGXXPMNRITL-BDAKNGLRSA-N 0 3 182.267 0.607 20 0 ACADHN CNC(=O)CN1CC[C@@H]2CCC[C@H]21 306546562 345421129 /nfs/dbraw/zinc/42/11/29/345421129.db2.gz FBAAGXXPMNRITL-DTWKUNHWSA-N 0 3 182.267 0.607 20 0 ACADHN CNC(=O)CN1CC[C@@H]2CCC[C@@H]21 306546563 345421181 /nfs/dbraw/zinc/42/11/81/345421181.db2.gz FBAAGXXPMNRITL-IUCAKERBSA-N 0 3 182.267 0.607 20 0 ACADHN CCn1ccnc1NC(=O)[C@@H](C)N 306548276 345422850 /nfs/dbraw/zinc/42/28/50/345422850.db2.gz CSDQVQJEGUSYFM-ZCFIWIBFSA-N 0 3 182.227 0.189 20 0 ACADHN CNCC(=O)Nc1cc(C2CC2)[nH]n1 306548796 345423581 /nfs/dbraw/zinc/42/35/81/345423581.db2.gz XUDDNBPUOSCYOK-UHFFFAOYSA-N 0 3 194.238 0.445 20 0 ACADHN Cc1cc(NC(=O)[C@H]2CCN2)n(C)n1 306548941 345423695 /nfs/dbraw/zinc/42/36/95/345423695.db2.gz YGMCOEJOXZAWBM-SSDOTTSWSA-N 0 3 194.238 0.029 20 0 ACADHN C1CC(n2nnc3c2CNCC3)C1 306550877 345426608 /nfs/dbraw/zinc/42/66/08/345426608.db2.gz HSYOIBUYOIFWEU-UHFFFAOYSA-N 0 3 178.239 0.649 20 0 ACADHN C[C@H](C(=O)[O-])N1CC[C@@H]2[NH2+]CC[C@H]2C1 306552750 345428131 /nfs/dbraw/zinc/42/81/31/345428131.db2.gz AWSRCNDEDZCSGR-VGMNWLOBSA-N 0 3 198.266 0.143 20 0 ACADHN C[C@H](C(=O)[O-])N1CC[C@H]2[NH2+]CC[C@@H]2C1 306552739 345428182 /nfs/dbraw/zinc/42/81/82/345428182.db2.gz AWSRCNDEDZCSGR-IWSPIJDZSA-N 0 3 198.266 0.143 20 0 ACADHN C[C@H](C(=O)[O-])N1CC[C@H]2[NH2+]CC[C@H]2C1 306552729 345428213 /nfs/dbraw/zinc/42/82/13/345428213.db2.gz AWSRCNDEDZCSGR-HRDYMLBCSA-N 0 3 198.266 0.143 20 0 ACADHN C[C@H](C(=O)[O-])N1CC[C@@H]2[NH2+]CC[C@@H]2C1 306552713 345428288 /nfs/dbraw/zinc/42/82/88/345428288.db2.gz AWSRCNDEDZCSGR-HLTSFMKQSA-N 0 3 198.266 0.143 20 0 ACADHN C[C@H]1CCN(CC(=O)N2CCC2)C1 306555011 345430475 /nfs/dbraw/zinc/43/04/75/345430475.db2.gz KWXJMZPIPOQZRQ-VIFPVBQESA-N 0 3 182.267 0.561 20 0 ACADHN C[C@H]1CN(CCCO)[C@@H](C)CN1C 306555285 345430708 /nfs/dbraw/zinc/43/07/08/345430708.db2.gz BUVZKPUEMIYRBL-UWVGGRQHSA-N 0 3 186.299 0.393 20 0 ACADHN C[C@H]1CN(CCCO)[C@H](C)CN1C 306555286 345430742 /nfs/dbraw/zinc/43/07/42/345430742.db2.gz BUVZKPUEMIYRBL-VHSXEESVSA-N 0 3 186.299 0.393 20 0 ACADHN C[C@H](N)C(=O)N1CC[C@@H](C)[C@H]1C 306559152 345434908 /nfs/dbraw/zinc/43/49/08/345434908.db2.gz QFWBNOMBHKOQMO-GJMOJQLCSA-N 0 3 170.256 0.591 20 0 ACADHN CN(C)C1(CNc2ncccn2)CC1 306559457 345434912 /nfs/dbraw/zinc/43/49/12/345434912.db2.gz AJWRTMJZWFFHJI-UHFFFAOYSA-N 0 3 192.266 0.983 20 0 ACADHN C[C@H](N)C(=O)N1CC[C@H](C)[C@H]1C 306559149 345434937 /nfs/dbraw/zinc/43/49/37/345434937.db2.gz QFWBNOMBHKOQMO-BIIVOSGPSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@H](N)C(=O)N1CC[C@H](C)[C@@H]1C 306559151 345434983 /nfs/dbraw/zinc/43/49/83/345434983.db2.gz QFWBNOMBHKOQMO-FXQIFTODSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@H](N)C(=O)N1CC[C@@H](C)[C@@H]1C 306559150 345435243 /nfs/dbraw/zinc/43/52/43/345435243.db2.gz QFWBNOMBHKOQMO-CSMHCCOUSA-N 0 3 170.256 0.591 20 0 ACADHN Cc1nc(CN2CC[C@@H](C)C2)n[nH]1 306559747 345435682 /nfs/dbraw/zinc/43/56/82/345435682.db2.gz QHWSSFNQJBDMKO-SSDOTTSWSA-N 0 3 180.255 0.955 20 0 ACADHN Cc1nc(CN2CC[C@H](C)C2)n[nH]1 306559752 345435755 /nfs/dbraw/zinc/43/57/55/345435755.db2.gz QHWSSFNQJBDMKO-ZETCQYMHSA-N 0 3 180.255 0.955 20 0 ACADHN C[C@@]1(F)CCN(CCO)C1 306561865 345437677 /nfs/dbraw/zinc/43/76/77/345437677.db2.gz SZPHYWDLKQIBKK-SSDOTTSWSA-N 0 3 147.193 0.413 20 0 ACADHN C[C@]1(F)CCN(CCO)C1 306561866 345437775 /nfs/dbraw/zinc/43/77/75/345437775.db2.gz SZPHYWDLKQIBKK-ZETCQYMHSA-N 0 3 147.193 0.413 20 0 ACADHN Cc1csc(NC(=O)[C@H]2CCN2)n1 306562967 345438770 /nfs/dbraw/zinc/43/87/70/345438770.db2.gz OUQFOIFRCCZCHW-ZCFIWIBFSA-N 0 3 197.263 0.752 20 0 ACADHN CC[C@@]1(C)CCCN(CC(N)=O)C1 306564702 345440461 /nfs/dbraw/zinc/44/04/61/345440461.db2.gz WYPWGHYTENMGAP-JTQLQIEISA-N 0 3 184.283 0.984 20 0 ACADHN CC[C@]1(C)CCCN(CC(N)=O)C1 306564714 345440802 /nfs/dbraw/zinc/44/08/02/345440802.db2.gz WYPWGHYTENMGAP-SNVBAGLBSA-N 0 3 184.283 0.984 20 0 ACADHN C[C@H]1CCN(CC(=O)N(C)C)C1 306565820 345442351 /nfs/dbraw/zinc/44/23/51/345442351.db2.gz YHOPOACHCITECM-QMMMGPOBSA-N 0 3 170.256 0.416 20 0 ACADHN CC1(C(=O)N2CCCNCC2)CC1 306566359 345442995 /nfs/dbraw/zinc/44/29/95/345442995.db2.gz ZJATZRRCALMDCA-UHFFFAOYSA-N 0 3 182.267 0.608 20 0 ACADHN C[C@H](F)CCN1CCNC(=O)CC1 306566646 345443002 /nfs/dbraw/zinc/44/30/02/345443002.db2.gz BFHIUDXXYUPESF-QMMMGPOBSA-N 0 3 188.246 0.556 20 0 ACADHN Cc1ccc(NC(=O)[C@@H](C)N)c(O)c1 306566445 345443060 /nfs/dbraw/zinc/44/30/60/345443060.db2.gz GCMHARDIUDHKHK-SSDOTTSWSA-N 0 3 194.234 0.986 20 0 ACADHN C[C@@H]1CN(Cc2cn[nH]c2)CC[C@H]1O 306567750 345444065 /nfs/dbraw/zinc/44/40/65/345444065.db2.gz SWPFOQSKVOFOHX-PSASIEDQSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@H]1CN(Cc2cn[nH]c2)CC[C@@H]1O 306567756 345444086 /nfs/dbraw/zinc/44/40/86/345444086.db2.gz SWPFOQSKVOFOHX-WPRPVWTQSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@H]1CN(Cc2cn[nH]c2)CC[C@H]1O 306567754 345444150 /nfs/dbraw/zinc/44/41/50/345444150.db2.gz SWPFOQSKVOFOHX-WCBMZHEXSA-N 0 3 195.266 0.612 20 0 ACADHN O=C1CN(CCC2CC2)CCCN1 306571859 345449121 /nfs/dbraw/zinc/44/91/21/345449121.db2.gz HGBHUGAFWKTHEF-UHFFFAOYSA-N 0 3 182.267 0.608 20 0 ACADHN Cc1ocnc1CNC(=O)C1(N)CC1 306579044 345456290 /nfs/dbraw/zinc/45/62/90/345456290.db2.gz MQZJFQPSLJYXQA-UHFFFAOYSA-N 0 3 195.222 0.091 20 0 ACADHN C[C@]1(CNC(=O)C2(N)CC2)CCOC1 306580312 345457253 /nfs/dbraw/zinc/45/72/53/345457253.db2.gz OJMKXYRUFMZJMG-SECBINFHSA-N 0 3 198.266 0.021 20 0 ACADHN CNC(=O)NCC1(N(C)C)CC1 306580122 345457354 /nfs/dbraw/zinc/45/73/54/345457354.db2.gz NRCWXPPJLZYPNG-UHFFFAOYSA-N 0 3 171.244 0.010 20 0 ACADHN Cc1ncc(NC(=O)[C@@H](C)N)cn1 306581332 345458100 /nfs/dbraw/zinc/45/81/00/345458100.db2.gz PLTKYZLSHVTTKN-RXMQYKEDSA-N 0 3 180.211 0.071 20 0 ACADHN C[C@H]1CCCN1CC(=O)N1CCC1 306581605 345458765 /nfs/dbraw/zinc/45/87/65/345458765.db2.gz ZPCLHKQMPCUDLT-VIFPVBQESA-N 0 3 182.267 0.703 20 0 ACADHN COCC[C@@]1(C)NCCc2nc[nH]c21 306590111 345467644 /nfs/dbraw/zinc/46/76/44/345467644.db2.gz XPPMBMSHVQOTJH-SNVBAGLBSA-N 0 3 195.266 0.807 20 0 ACADHN CC[C@@H](N)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C 306594898 345471618 /nfs/dbraw/zinc/47/16/18/345471618.db2.gz KBNHKZICLWUDCJ-HRDYMLBCSA-N 0 3 196.294 0.838 20 0 ACADHN CC[C@H](N)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C 306594899 345472044 /nfs/dbraw/zinc/47/20/44/345472044.db2.gz KBNHKZICLWUDCJ-YIZRAAEISA-N 0 3 196.294 0.838 20 0 ACADHN OC[C@@H]1CCCN1Cc1cn[nH]c1 306598824 345474994 /nfs/dbraw/zinc/47/49/94/345474994.db2.gz GJZSAWNQKAKNTD-VIFPVBQESA-N 0 3 181.239 0.366 20 0 ACADHN OC[C@H]1CCCN1Cc1cn[nH]c1 306598823 345475412 /nfs/dbraw/zinc/47/54/12/345475412.db2.gz GJZSAWNQKAKNTD-SECBINFHSA-N 0 3 181.239 0.366 20 0 ACADHN C[C@H](N)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C 306601289 345477372 /nfs/dbraw/zinc/47/73/72/345477372.db2.gz ULEUDPUEZPELJY-BIIVOSGPSA-N 0 3 182.267 0.448 20 0 ACADHN C[C@@H](N)C(=O)N1C[C@H]2[C@@H](C1)C2(C)C 306601293 345477631 /nfs/dbraw/zinc/47/76/31/345477631.db2.gz ULEUDPUEZPELJY-PRJMDXOYSA-N 0 3 182.267 0.448 20 0 ACADHN CC(C)[C@@H](N)C(=O)N1C[C@H]2C[C@H]2C1 306602454 345478160 /nfs/dbraw/zinc/47/81/60/345478160.db2.gz VXUXJNJXZUSGRL-HRDYMLBCSA-N 0 3 182.267 0.448 20 0 ACADHN C[C@@H]1C[C@H]1CN1CCC[C@@H]1C(N)=O 306620672 345493568 /nfs/dbraw/zinc/49/35/68/345493568.db2.gz XKGBDHJSUBGCLJ-HRDYMLBCSA-N 0 3 182.267 0.592 20 0 ACADHN C[C@@H]1C[C@@H]1CN1CCC[C@@H]1C(N)=O 306620673 345493603 /nfs/dbraw/zinc/49/36/03/345493603.db2.gz XKGBDHJSUBGCLJ-IWSPIJDZSA-N 0 3 182.267 0.592 20 0 ACADHN CO[C@H](CN)c1snnc1C 306635924 345504470 /nfs/dbraw/zinc/50/44/70/345504470.db2.gz LODYQICDBFAHHW-RXMQYKEDSA-N 0 3 173.241 0.493 20 0 ACADHN CO[C@@H](CN)c1snnc1C 306635928 345504544 /nfs/dbraw/zinc/50/45/44/345504544.db2.gz LODYQICDBFAHHW-YFKPBYRVSA-N 0 3 173.241 0.493 20 0 ACADHN CNC(=O)CN1CCCC2(CC2)C1 306639791 345507901 /nfs/dbraw/zinc/50/79/01/345507901.db2.gz OKNMMPDXLJTHMU-UHFFFAOYSA-N 0 3 182.267 0.608 20 0 ACADHN CN(C[C@@H](O)CF)C1CC1 306642524 345510301 /nfs/dbraw/zinc/51/03/01/345510301.db2.gz TZDLQHDJLLXCOK-ZETCQYMHSA-N 0 3 147.193 0.411 20 0 ACADHN CN(C[C@H](O)CF)C1CC1 306642523 345510161 /nfs/dbraw/zinc/51/01/61/345510161.db2.gz TZDLQHDJLLXCOK-SSDOTTSWSA-N 0 3 147.193 0.411 20 0 ACADHN C[C@H]1CCN(C(=O)C2(N)CC2)[C@H]1C 306646003 345514818 /nfs/dbraw/zinc/51/48/18/345514818.db2.gz ANOXHOYLBHGBBO-YUMQZZPRSA-N 0 3 182.267 0.735 20 0 ACADHN C[C@H]1[C@H](C)CCN1C(=O)C1(N)CC1 306646002 345514883 /nfs/dbraw/zinc/51/48/83/345514883.db2.gz ANOXHOYLBHGBBO-SFYZADRCSA-N 0 3 182.267 0.735 20 0 ACADHN C[C@H]1CCN(C(=O)C2(N)CC2)[C@@H]1C 306646001 345514967 /nfs/dbraw/zinc/51/49/67/345514967.db2.gz ANOXHOYLBHGBBO-JGVFFNPUSA-N 0 3 182.267 0.735 20 0 ACADHN C[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)C2(C)C 306647725 345516134 /nfs/dbraw/zinc/51/61/34/345516134.db2.gz CELBXNVXQXWCFO-PRJMDXOYSA-N 0 3 182.267 0.448 20 0 ACADHN Cc1n[nH]cc1CN1CC[C@H](O)C1 306648657 345516501 /nfs/dbraw/zinc/51/65/01/345516501.db2.gz CNTBOUOXVHUSMO-VIFPVBQESA-N 0 3 181.239 0.285 20 0 ACADHN C[C@H]1C(=O)NCCCN1CC1CC1 306657080 345522904 /nfs/dbraw/zinc/52/29/04/345522904.db2.gz HSFXGHPRXWRAMM-QMMMGPOBSA-N 0 3 182.267 0.607 20 0 ACADHN CN1CCN(CCO)C(C)(C)C1 306659493 345524518 /nfs/dbraw/zinc/52/45/18/345524518.db2.gz LMNIGBSHWHRJNU-UHFFFAOYSA-N 0 3 172.272 0.005 20 0 ACADHN NCc1cc(F)cnc1F 306668595 345531391 /nfs/dbraw/zinc/53/13/91/345531391.db2.gz FWUINJUBFIWKBK-UHFFFAOYSA-N 0 3 144.124 0.819 20 0 ACADHN C[C@@H]1SCC[C@@H]1NC(=O)[C@@H](C)N 306670978 345533293 /nfs/dbraw/zinc/53/32/93/345533293.db2.gz FDXXYMCPRYBIJA-VQVTYTSYSA-N 0 3 188.296 0.344 20 0 ACADHN C[C@@H](N)C(=O)N[C@H]1CCS[C@@H]1C 306670977 345533358 /nfs/dbraw/zinc/53/33/58/345533358.db2.gz FDXXYMCPRYBIJA-QYNIQEEDSA-N 0 3 188.296 0.344 20 0 ACADHN C[C@@H]1SCC[C@H]1NC(=O)[C@@H](C)N 306670975 345533366 /nfs/dbraw/zinc/53/33/66/345533366.db2.gz FDXXYMCPRYBIJA-DSYKOEDSSA-N 0 3 188.296 0.344 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1CCS[C@@H]1C 306670976 345533381 /nfs/dbraw/zinc/53/33/81/345533381.db2.gz FDXXYMCPRYBIJA-FSDSQADBSA-N 0 3 188.296 0.344 20 0 ACADHN C[C@H]1CCCN(CCNC(N)=O)C1 306672475 345533667 /nfs/dbraw/zinc/53/36/67/345533667.db2.gz MBXLGAQZMDSKIG-QMMMGPOBSA-N 0 3 185.271 0.387 20 0 ACADHN Cc1nn(C)c(NC(=O)[C@H](C)N)c1C 306672815 345534257 /nfs/dbraw/zinc/53/42/57/345534257.db2.gz MMPAYISPTZNUQZ-LURJTMIESA-N 0 3 196.254 0.323 20 0 ACADHN Cc1nn(C)c(NC(=O)[C@@H](C)N)c1C 306672964 345534444 /nfs/dbraw/zinc/53/44/44/345534444.db2.gz MMPAYISPTZNUQZ-ZCFIWIBFSA-N 0 3 196.254 0.323 20 0 ACADHN CC[C@@H](N)C(=O)Nc1c(C)noc1C 306674412 345536379 /nfs/dbraw/zinc/53/63/79/345536379.db2.gz QFHXTCNWWLKPKB-SSDOTTSWSA-N 0 3 197.238 0.967 20 0 ACADHN CC[C@H](N)C(=O)Nc1c(C)noc1C 306674413 345536569 /nfs/dbraw/zinc/53/65/69/345536569.db2.gz QFHXTCNWWLKPKB-ZETCQYMHSA-N 0 3 197.238 0.967 20 0 ACADHN C[C@@H](N)C(=O)Nc1c[nH]ccc1=O 306675169 345537771 /nfs/dbraw/zinc/53/77/71/345537771.db2.gz RZNBMUUOFHTYJK-RXMQYKEDSA-N 0 3 181.195 0.073 20 0 ACADHN CCc1cccnc1NC(=O)[C@H](C)N 306675685 345537782 /nfs/dbraw/zinc/53/77/82/345537782.db2.gz TZODBBZUKWMYLL-ZETCQYMHSA-N 0 3 193.250 0.930 20 0 ACADHN CN(C)C1(C(=O)NC2CC2)CCC1 306676591 345538871 /nfs/dbraw/zinc/53/88/71/345538871.db2.gz WNWJWOZEONKJLW-UHFFFAOYSA-N 0 3 182.267 0.749 20 0 ACADHN CNCC(=O)N1CCC2(CCC2)CC1 306677521 345539764 /nfs/dbraw/zinc/53/97/64/345539764.db2.gz ZAEIWYZQTDMIEY-UHFFFAOYSA-N 0 3 196.294 0.999 20 0 ACADHN CNC(=O)N1CCN[C@@H](C)[C@H]1C 306686276 345546897 /nfs/dbraw/zinc/54/68/97/345546897.db2.gz JYUGTJVXQOREAY-NKWVEPMBSA-N 0 3 171.244 0.008 20 0 ACADHN CNC(=O)N1CCN[C@@H](C)[C@@H]1C 306686275 345547036 /nfs/dbraw/zinc/54/70/36/345547036.db2.gz JYUGTJVXQOREAY-BQBZGAKWSA-N 0 3 171.244 0.008 20 0 ACADHN CNC(=O)N1CCN[C@H](C)[C@@H]1C 306686278 345547174 /nfs/dbraw/zinc/54/71/74/345547174.db2.gz JYUGTJVXQOREAY-RQJHMYQMSA-N 0 3 171.244 0.008 20 0 ACADHN CNC(=O)N1CCN[C@H](C)[C@H]1C 306686277 345547264 /nfs/dbraw/zinc/54/72/64/345547264.db2.gz JYUGTJVXQOREAY-RNFRBKRXSA-N 0 3 171.244 0.008 20 0 ACADHN CNC(=O)C1(N(C)C)CCC1 306690019 345549099 /nfs/dbraw/zinc/54/90/99/345549099.db2.gz LRBPJVWUSUWDAI-UHFFFAOYSA-N 0 3 156.229 0.217 20 0 ACADHN CC(C)[C@@H]1CCCN(CC(N)=O)C1 306690473 345549495 /nfs/dbraw/zinc/54/94/95/345549495.db2.gz MNCHCWOYWNPBIQ-SECBINFHSA-N 0 3 184.283 0.840 20 0 ACADHN CCNC(=O)[C@@H]1CNCCC1(F)F 306691067 345549504 /nfs/dbraw/zinc/54/95/04/345549504.db2.gz NJLYAPVNYCIKDA-LURJTMIESA-N 0 3 192.209 0.367 20 0 ACADHN CCNC(=O)[C@H]1CNCCC1(F)F 306691068 345549598 /nfs/dbraw/zinc/54/95/98/345549598.db2.gz NJLYAPVNYCIKDA-ZCFIWIBFSA-N 0 3 192.209 0.367 20 0 ACADHN CC(C)[C@H]1CCCN(CC(N)=O)C1 306690475 345549653 /nfs/dbraw/zinc/54/96/53/345549653.db2.gz MNCHCWOYWNPBIQ-VIFPVBQESA-N 0 3 184.283 0.840 20 0 ACADHN CC[C@H]1CCN(CC(=O)NC)C1 306692837 345550692 /nfs/dbraw/zinc/55/06/92/345550692.db2.gz QGSQURFXZDVUBZ-QMMMGPOBSA-N 0 3 170.256 0.464 20 0 ACADHN C[C@H]1[C@@H](C)N(C)CCN1CCO 306697715 345553458 /nfs/dbraw/zinc/55/34/58/345553458.db2.gz CWXYDNBCKGOWRX-BDAKNGLRSA-N 0 3 172.272 0.003 20 0 ACADHN C[C@H]1[C@@H](C)N(CCO)CCN1C 306698105 345553684 /nfs/dbraw/zinc/55/36/84/345553684.db2.gz CWXYDNBCKGOWRX-DTWKUNHWSA-N 0 3 172.272 0.003 20 0 ACADHN C[C@H]1[C@H](C)N(CCO)CCN1C 306698110 345553894 /nfs/dbraw/zinc/55/38/94/345553894.db2.gz CWXYDNBCKGOWRX-IUCAKERBSA-N 0 3 172.272 0.003 20 0 ACADHN CC[C@@H](C(N)=O)N1C2CCC1CC2 306701188 345555910 /nfs/dbraw/zinc/55/59/10/345555910.db2.gz GNDGJPKZGOKHMW-HACHORDNSA-N 0 3 182.267 0.877 20 0 ACADHN CC[C@H](C(N)=O)N1C2CCC1CC2 306701184 345555984 /nfs/dbraw/zinc/55/59/84/345555984.db2.gz GNDGJPKZGOKHMW-AMDVSUOASA-N 0 3 182.267 0.877 20 0 ACADHN CCNC(=O)C1(N(C)C)CCC1 306704400 345557878 /nfs/dbraw/zinc/55/78/78/345557878.db2.gz HFLYGYVHDHXIBZ-UHFFFAOYSA-N 0 3 170.256 0.607 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1CCCOCC1 306704457 345557960 /nfs/dbraw/zinc/55/79/60/345557960.db2.gz HJBNPASEAMKRKJ-JGVFFNPUSA-N 0 3 186.255 0.019 20 0 ACADHN C[C@H](N)C(=O)N[C@H]1CCCOCC1 306704460 345558153 /nfs/dbraw/zinc/55/81/53/345558153.db2.gz HJBNPASEAMKRKJ-YUMQZZPRSA-N 0 3 186.255 0.019 20 0 ACADHN NC(=O)CN1CCC2(CCC2)CC1 306708341 345561803 /nfs/dbraw/zinc/56/18/03/345561803.db2.gz KWFINAYPBIYLMF-UHFFFAOYSA-N 0 3 182.267 0.738 20 0 ACADHN CNC(=O)CN[C@@H]1CCC1(C)C 306715331 345567437 /nfs/dbraw/zinc/56/74/37/345567437.db2.gz SBVLNXFKKXMXFG-SSDOTTSWSA-N 0 3 170.256 0.511 20 0 ACADHN CNC(=O)CN[C@H]1CCC1(C)C 306715332 345567629 /nfs/dbraw/zinc/56/76/29/345567629.db2.gz SBVLNXFKKXMXFG-ZETCQYMHSA-N 0 3 170.256 0.511 20 0 ACADHN CCCN(C)[C@@H]1CCC(=O)NC1=O 306715572 345568135 /nfs/dbraw/zinc/56/81/35/345568135.db2.gz ZYXSCJDRLCBVLF-SSDOTTSWSA-N 0 3 184.239 0.133 20 0 ACADHN CCCN(C)[C@H]1CCC(=O)NC1=O 306715573 345568388 /nfs/dbraw/zinc/56/83/88/345568388.db2.gz ZYXSCJDRLCBVLF-ZETCQYMHSA-N 0 3 184.239 0.133 20 0 ACADHN CO[C@H](CN)c1cncnc1 306729480 345578676 /nfs/dbraw/zinc/57/86/76/345578676.db2.gz CXSKLDBZCDZSEA-SSDOTTSWSA-N 0 3 153.185 0.123 20 0 ACADHN CO[C@@H](CN)c1cncnc1 306729481 345578459 /nfs/dbraw/zinc/57/84/59/345578459.db2.gz CXSKLDBZCDZSEA-ZETCQYMHSA-N 0 3 153.185 0.123 20 0 ACADHN NC(=O)CN1C[C@H]2CC=CC[C@H]2C1 306729095 345578500 /nfs/dbraw/zinc/57/85/00/345578500.db2.gz OGPOUSWINGUUGS-DTORHVGOSA-N 0 3 180.251 0.370 20 0 ACADHN C[C@@H](N)C(=O)N1[C@H](C)CC[C@H]1C 306737403 345584046 /nfs/dbraw/zinc/58/40/46/345584046.db2.gz YYRIXWMFGNXWEE-BWZBUEFSSA-N 0 3 170.256 0.733 20 0 ACADHN C[C@H]1CC[C@H](C)N1C(=O)[C@@H](C)N 306737393 345584311 /nfs/dbraw/zinc/58/43/11/345584311.db2.gz YYRIXWMFGNXWEE-BIIVOSGPSA-N 0 3 170.256 0.733 20 0 ACADHN CC(=O)NCC1(N(C)C)CC1 306739061 345585862 /nfs/dbraw/zinc/58/58/62/345585862.db2.gz JGKRCBIKIKUHHK-UHFFFAOYSA-N 0 3 156.229 0.217 20 0 ACADHN CN(C)C1CN(c2ccccn2)C1 306752811 345592198 /nfs/dbraw/zinc/59/21/98/345592198.db2.gz IYDVPFAAMZHZQR-UHFFFAOYSA-N 0 3 177.251 0.832 20 0 ACADHN NCC(=O)NC1(C2CC2)CC1 306756193 345593391 /nfs/dbraw/zinc/59/33/91/345593391.db2.gz LUOSLFUXLAREQB-UHFFFAOYSA-N 0 3 154.213 0.004 20 0 ACADHN CC[C@]1(C)CCN(C(=O)[C@H](C)N)C1 306764122 345599706 /nfs/dbraw/zinc/59/97/06/345599706.db2.gz YXGYELDVOTZIAF-WCBMZHEXSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@]1(C)CCN(C(=O)[C@@H](C)N)C1 306764120 345599858 /nfs/dbraw/zinc/59/98/58/345599858.db2.gz YXGYELDVOTZIAF-PSASIEDQSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@@]1(C)CCN(C(=O)[C@H](C)N)C1 306764124 345599918 /nfs/dbraw/zinc/59/99/18/345599918.db2.gz YXGYELDVOTZIAF-WPRPVWTQSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@@]1(C)CCN(C(=O)[C@@H](C)N)C1 306764121 345599949 /nfs/dbraw/zinc/59/99/49/345599949.db2.gz YXGYELDVOTZIAF-SCZZXKLOSA-N 0 3 184.283 0.982 20 0 ACADHN CNC(=O)CN1[C@H](C)CC[C@H]1C 306767536 345602186 /nfs/dbraw/zinc/60/21/86/345602186.db2.gz YBFOSBQCYLGMGJ-HTQZYQBOSA-N 0 3 170.256 0.605 20 0 ACADHN CNC(=O)CN1[C@@H](C)CC[C@@H]1C 306767538 345602276 /nfs/dbraw/zinc/60/22/76/345602276.db2.gz YBFOSBQCYLGMGJ-YUMQZZPRSA-N 0 3 170.256 0.605 20 0 ACADHN CNC(=O)CN1[C@@H](C)CC[C@H]1C 306767537 345602453 /nfs/dbraw/zinc/60/24/53/345602453.db2.gz YBFOSBQCYLGMGJ-OCAPTIKFSA-N 0 3 170.256 0.605 20 0 ACADHN C[C@H]1C[C@H](O)CN1CCn1cccn1 306768754 345602742 /nfs/dbraw/zinc/60/27/42/345602742.db2.gz ZKLLXNSZKKUILT-UWVGGRQHSA-N 0 3 195.266 0.338 20 0 ACADHN C[C@H]1C[C@@H](O)CN1CCn1cccn1 306768755 345602973 /nfs/dbraw/zinc/60/29/73/345602973.db2.gz ZKLLXNSZKKUILT-VHSXEESVSA-N 0 3 195.266 0.338 20 0 ACADHN CC[C@@]1(C)CCCN(C(=O)CN)C1 306775307 345606602 /nfs/dbraw/zinc/60/66/02/345606602.db2.gz WRDPBJOLYHDDHC-JTQLQIEISA-N 0 3 184.283 0.984 20 0 ACADHN CC[C@]1(C)CCCN(C(=O)CN)C1 306775308 345606887 /nfs/dbraw/zinc/60/68/87/345606887.db2.gz WRDPBJOLYHDDHC-SNVBAGLBSA-N 0 3 184.283 0.984 20 0 ACADHN CCCN1CC[C@@](F)(CO)C1 306778698 345608205 /nfs/dbraw/zinc/60/82/05/345608205.db2.gz RGZUYKBFAFJUSA-QMMMGPOBSA-N 0 3 161.220 0.803 20 0 ACADHN CCCN1CC[C@](F)(CO)C1 306778697 345608457 /nfs/dbraw/zinc/60/84/57/345608457.db2.gz RGZUYKBFAFJUSA-MRVPVSSYSA-N 0 3 161.220 0.803 20 0 ACADHN CNC(=O)CN1CCCCCCC1 306782274 345610883 /nfs/dbraw/zinc/61/08/83/345610883.db2.gz FLLUSOJYXQGVMK-UHFFFAOYSA-N 0 3 184.283 0.999 20 0 ACADHN C[C@H](C(=O)NC1CC1)N1CCCC1 306786086 345613392 /nfs/dbraw/zinc/61/33/92/345613392.db2.gz KOYMCSBCUSTRBE-MRVPVSSYSA-N 0 3 182.267 0.749 20 0 ACADHN CC(C)N1CCc2nn[nH]c2C1 306792462 345618654 /nfs/dbraw/zinc/61/86/54/345618654.db2.gz QSCZJHBEYZOPNR-UHFFFAOYSA-N 0 3 166.228 0.571 20 0 ACADHN CC1(C)OCC[C@]12COCCN2 306793654 345619161 /nfs/dbraw/zinc/61/91/61/345619161.db2.gz GVQCVVRUFFGWKP-VIFPVBQESA-N 0 3 171.240 0.544 20 0 ACADHN CC1(C)OCC[C@@]12COCCN2 306793652 345619458 /nfs/dbraw/zinc/61/94/58/345619458.db2.gz GVQCVVRUFFGWKP-SECBINFHSA-N 0 3 171.240 0.544 20 0 ACADHN Cc1ncccc1NC(=O)[C@H]1CCN1 306797973 345621864 /nfs/dbraw/zinc/62/18/64/345621864.db2.gz ZRYMRKMEVUFUIT-SECBINFHSA-N 0 3 191.234 0.690 20 0 ACADHN c1ncc(CNC2CSC2)[nH]1 306799030 345622800 /nfs/dbraw/zinc/62/28/00/345622800.db2.gz DYTMDSKAQZBMIB-UHFFFAOYSA-N 0 3 169.253 0.615 20 0 ACADHN CN(CC1CC1)[C@H]1COC[C@H]1O 306801745 345624101 /nfs/dbraw/zinc/62/41/01/345624101.db2.gz RRRVYKCBOZEKPV-DTWKUNHWSA-N 0 3 171.240 0.088 20 0 ACADHN CN(C[C@H]1CCCO1)C1CC(O)C1 306818735 345633737 /nfs/dbraw/zinc/63/37/37/345633737.db2.gz CEYJOOYWLJLHKY-UDNWOFFPSA-N 0 3 185.267 0.621 20 0 ACADHN C[C@H]1NCCN(C(=O)N(C)C)[C@@H]1C 306830657 345643956 /nfs/dbraw/zinc/64/39/56/345643956.db2.gz LSNCJMOCXFTBCI-HTQZYQBOSA-N 0 3 185.271 0.350 20 0 ACADHN C[C@H]1[C@@H](C)NCCN1C(=O)N(C)C 306830659 345644306 /nfs/dbraw/zinc/64/43/06/345644306.db2.gz LSNCJMOCXFTBCI-SFYZADRCSA-N 0 3 185.271 0.350 20 0 ACADHN O[C@@H]1CCN(CC2=CCCOC2)C1 306842332 345651042 /nfs/dbraw/zinc/65/10/42/345651042.db2.gz BVDABRZNEMOPGL-SNVBAGLBSA-N 0 3 183.251 0.400 20 0 ACADHN C[C@H]1CN(C[C@@H]2CCOC2)CCO1 306846032 345653733 /nfs/dbraw/zinc/65/37/33/345653733.db2.gz JLXFJXRUNFEEPF-UWVGGRQHSA-N 0 3 185.267 0.744 20 0 ACADHN C[C@H]1CN(C[C@H]2CCOC2)CCO1 306846033 345653743 /nfs/dbraw/zinc/65/37/43/345653743.db2.gz JLXFJXRUNFEEPF-VHSXEESVSA-N 0 3 185.267 0.744 20 0 ACADHN C[C@H]1[C@H](C)CCN1C(=O)CN 306853073 345658573 /nfs/dbraw/zinc/65/85/73/345658573.db2.gz SQGJNMNPLJUWFU-RQJHMYQMSA-N 0 3 156.229 0.202 20 0 ACADHN C[C@H]1CCN(C(=O)CN)[C@@H]1C 306853071 345658582 /nfs/dbraw/zinc/65/85/82/345658582.db2.gz SQGJNMNPLJUWFU-NKWVEPMBSA-N 0 3 156.229 0.202 20 0 ACADHN CN1CCC(n2cnc(N)n2)CC1 306857110 345661058 /nfs/dbraw/zinc/66/10/58/345661058.db2.gz XWTFNXPWGHYDCK-UHFFFAOYSA-N 0 3 181.243 0.127 20 0 ACADHN CC(C)[C@@]1(C)C[C@@H]1NC(=O)[C@H](C)N 306862002 345664993 /nfs/dbraw/zinc/66/49/93/345664993.db2.gz HSZHMFVOHADVCB-OYNCUSHFSA-N 0 3 184.283 0.884 20 0 ACADHN CC(C)[C@]1(C)C[C@H]1NC(=O)[C@H](C)N 306862004 345665082 /nfs/dbraw/zinc/66/50/82/345665082.db2.gz HSZHMFVOHADVCB-XKSSXDPKSA-N 0 3 184.283 0.884 20 0 ACADHN CC(C)[C@@]1(C)C[C@H]1NC(=O)[C@H](C)N 306862003 345665105 /nfs/dbraw/zinc/66/51/05/345665105.db2.gz HSZHMFVOHADVCB-QXFUBDJGSA-N 0 3 184.283 0.884 20 0 ACADHN CC(C)[C@]1(C)C[C@@H]1NC(=O)[C@H](C)N 306862001 345665341 /nfs/dbraw/zinc/66/53/41/345665341.db2.gz HSZHMFVOHADVCB-NRPADANISA-N 0 3 184.283 0.884 20 0 ACADHN CC(F)(F)C(=O)[N-]C[C@H]1CCC[NH2+]1 306865253 345667601 /nfs/dbraw/zinc/66/76/01/345667601.db2.gz LVBYYWJGZIEUID-ZCFIWIBFSA-N 0 3 192.209 0.510 20 0 ACADHN CC(F)(F)C(=O)[N-]C[C@@H]1CCC[NH2+]1 306865252 345667627 /nfs/dbraw/zinc/66/76/27/345667627.db2.gz LVBYYWJGZIEUID-LURJTMIESA-N 0 3 192.209 0.510 20 0 ACADHN CCCN1CCCN(CC)C(=O)C1 306871618 345670716 /nfs/dbraw/zinc/67/07/16/345670716.db2.gz XUVDHLXMGGKCKO-UHFFFAOYSA-N 0 3 184.283 0.951 20 0 ACADHN CSc1ccnc(NC2CNC2)n1 306887862 345684925 /nfs/dbraw/zinc/68/49/25/345684925.db2.gz VCAWJEUHWHQSLD-UHFFFAOYSA-N 0 3 196.279 0.582 20 0 ACADHN C[C@H]1CN(CCn2cccn2)C[C@H]1O 306890092 345686598 /nfs/dbraw/zinc/68/65/98/345686598.db2.gz YJLIKPOGUHOTPA-VHSXEESVSA-N 0 3 195.266 0.196 20 0 ACADHN C[C@H]1CN(CCn2cccn2)C[C@@H]1O 306890091 345686609 /nfs/dbraw/zinc/68/66/09/345686609.db2.gz YJLIKPOGUHOTPA-UWVGGRQHSA-N 0 3 195.266 0.196 20 0 ACADHN C[C@@H]1CN(CCn2cccn2)C[C@H]1O 306890090 345686654 /nfs/dbraw/zinc/68/66/54/345686654.db2.gz YJLIKPOGUHOTPA-NXEZZACHSA-N 0 3 195.266 0.196 20 0 ACADHN C[C@@H]1CN(CCn2cccn2)C[C@@H]1O 306890093 345686741 /nfs/dbraw/zinc/68/67/41/345686741.db2.gz YJLIKPOGUHOTPA-ZJUUUORDSA-N 0 3 195.266 0.196 20 0 ACADHN C[C@H]1[C@H](C)CCN1CC(=O)N(C)C 306924905 345701121 /nfs/dbraw/zinc/70/11/21/345701121.db2.gz KVOXQBDFPXJGPY-BDAKNGLRSA-N 0 3 184.283 0.805 20 0 ACADHN C[C@H]1CCN(CC(=O)N(C)C)[C@@H]1C 306924906 345701236 /nfs/dbraw/zinc/70/12/36/345701236.db2.gz KVOXQBDFPXJGPY-DTWKUNHWSA-N 0 3 184.283 0.805 20 0 ACADHN C[C@H]1CCN(CC(=O)N(C)C)[C@H]1C 306924907 345701397 /nfs/dbraw/zinc/70/13/97/345701397.db2.gz KVOXQBDFPXJGPY-IUCAKERBSA-N 0 3 184.283 0.805 20 0 ACADHN C[C@H](C(N)=O)N1CCCC2(CC2)C1 306925501 345701655 /nfs/dbraw/zinc/70/16/55/345701655.db2.gz MLFYVSGITWSWIF-MRVPVSSYSA-N 0 3 182.267 0.736 20 0 ACADHN CCC(=O)N1CCN(C)CC[C@@H]1C 306928244 345703413 /nfs/dbraw/zinc/70/34/13/345703413.db2.gz XJVUMLPWNIEOJK-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN CCC(=O)N1CCN(C)CC[C@H]1C 306928243 345703434 /nfs/dbraw/zinc/70/34/34/345703434.db2.gz XJVUMLPWNIEOJK-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN Cc1cnn(CCN2CC[C@H](O)C2)c1 306938925 345709059 /nfs/dbraw/zinc/70/90/59/345709059.db2.gz KESFKIRQKCAOAJ-JTQLQIEISA-N 0 3 195.266 0.258 20 0 ACADHN Cc1cnn(CCN2CC[C@@H](O)C2)c1 306938928 345709098 /nfs/dbraw/zinc/70/90/98/345709098.db2.gz KESFKIRQKCAOAJ-SNVBAGLBSA-N 0 3 195.266 0.258 20 0 ACADHN CO[C@H]1CCCC[C@@H]1OC1CNC1 306948788 345713714 /nfs/dbraw/zinc/71/37/14/345713714.db2.gz ADXKFOCAIZCXMT-UWVGGRQHSA-N 0 3 185.267 0.932 20 0 ACADHN CO[C@@H]1CCCC[C@@H]1OC1CNC1 306948790 345713839 /nfs/dbraw/zinc/71/38/39/345713839.db2.gz ADXKFOCAIZCXMT-ZJUUUORDSA-N 0 3 185.267 0.932 20 0 ACADHN CO[C@@H]1CCCC[C@H]1OC1CNC1 306948787 345713910 /nfs/dbraw/zinc/71/39/10/345713910.db2.gz ADXKFOCAIZCXMT-NXEZZACHSA-N 0 3 185.267 0.932 20 0 ACADHN CO[C@H]1CCCC[C@H]1OC1CNC1 306948789 345713947 /nfs/dbraw/zinc/71/39/47/345713947.db2.gz ADXKFOCAIZCXMT-VHSXEESVSA-N 0 3 185.267 0.932 20 0 ACADHN CNC(=O)CN1C[C@H](C)C[C@@H]1C 306956008 345717547 /nfs/dbraw/zinc/71/75/47/345717547.db2.gz QYEQTCNORIZEFA-SFYZADRCSA-N 0 3 170.256 0.463 20 0 ACADHN CNC(=O)CN1C[C@@H](C)C[C@H]1C 306956007 345717615 /nfs/dbraw/zinc/71/76/15/345717615.db2.gz QYEQTCNORIZEFA-JGVFFNPUSA-N 0 3 170.256 0.463 20 0 ACADHN CNC(=O)CN1C[C@H](C)C[C@H]1C 306956006 345717654 /nfs/dbraw/zinc/71/76/54/345717654.db2.gz QYEQTCNORIZEFA-HTQZYQBOSA-N 0 3 170.256 0.463 20 0 ACADHN CNC(=O)CN1C[C@@H](C)C[C@@H]1C 306956009 345717921 /nfs/dbraw/zinc/71/79/21/345717921.db2.gz QYEQTCNORIZEFA-YUMQZZPRSA-N 0 3 170.256 0.463 20 0 ACADHN CC[C@@H]1C[C@H](C)CN1C(=O)CN 306956856 345718187 /nfs/dbraw/zinc/71/81/87/345718187.db2.gz SFGJVLYJJXQIIY-JGVFFNPUSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@H]1C[C@@H](C)CN1C(=O)CN 306956857 345718368 /nfs/dbraw/zinc/71/83/68/345718368.db2.gz SFGJVLYJJXQIIY-SFYZADRCSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@H](N)C(=O)Nc1ccccc1N 306960889 345720232 /nfs/dbraw/zinc/72/02/32/345720232.db2.gz ZTOWABJTUGACAL-ZETCQYMHSA-N 0 3 193.250 0.945 20 0 ACADHN C[C@H]1CN(C(=O)CN)C(C)(C)C1 306962573 345721206 /nfs/dbraw/zinc/72/12/06/345721206.db2.gz BYLMLVBILIITMM-SSDOTTSWSA-N 0 3 170.256 0.592 20 0 ACADHN CCc1cc(NC(=O)[C@@H](C)N)n(C)n1 306968861 345725355 /nfs/dbraw/zinc/72/53/55/345725355.db2.gz RGZWAFKRXJWQBM-ZCFIWIBFSA-N 0 3 196.254 0.268 20 0 ACADHN C[C@H]1CC[C@H](NC2(C(N)=O)CC2)C1 306970034 345725618 /nfs/dbraw/zinc/72/56/18/345725618.db2.gz SYBULXJRQCSAIN-YUMQZZPRSA-N 0 3 182.267 0.783 20 0 ACADHN C[C@H]1CC[C@@H](NC2(C(N)=O)CC2)C1 306970022 345725798 /nfs/dbraw/zinc/72/57/98/345725798.db2.gz SYBULXJRQCSAIN-JGVFFNPUSA-N 0 3 182.267 0.783 20 0 ACADHN C[C@H]1C[C@@H]1CN1CCOCC1 306975644 345728921 /nfs/dbraw/zinc/72/89/21/345728921.db2.gz ZWBLGPFCRJOSFO-DTWKUNHWSA-N 0 3 155.241 0.975 20 0 ACADHN C[C@H]1C[C@H]1CN1CCOCC1 306975645 345729117 /nfs/dbraw/zinc/72/91/17/345729117.db2.gz ZWBLGPFCRJOSFO-IUCAKERBSA-N 0 3 155.241 0.975 20 0 ACADHN CNC(=O)N1CC[C@@]2(CCN(C)C2)C1 306980300 345731842 /nfs/dbraw/zinc/73/18/42/345731842.db2.gz FLONFOHYEGSCFQ-SNVBAGLBSA-N 0 3 197.282 0.353 20 0 ACADHN CNC(=O)N1CC[C@]2(CCN(C)C2)C1 306980299 345731869 /nfs/dbraw/zinc/73/18/69/345731869.db2.gz FLONFOHYEGSCFQ-JTQLQIEISA-N 0 3 197.282 0.353 20 0 ACADHN CCn1nccc1NC(=O)C(C)(C)N 306991187 345738408 /nfs/dbraw/zinc/73/84/08/345738408.db2.gz JYLIIORSQUTLOO-UHFFFAOYSA-N 0 3 196.254 0.579 20 0 ACADHN CC1=C(C)CN([C@H](C)C(N)=O)CC1 306998541 345742648 /nfs/dbraw/zinc/74/26/48/345742648.db2.gz YGCKDVZKWQGNIG-SECBINFHSA-N 0 3 182.267 0.902 20 0 ACADHN CC1=C(C)CN([C@@H](C)C(N)=O)CC1 306998542 345742841 /nfs/dbraw/zinc/74/28/41/345742841.db2.gz YGCKDVZKWQGNIG-VIFPVBQESA-N 0 3 182.267 0.902 20 0 ACADHN C[C@H]1NCCN(C(=O)CC2CC2)[C@@H]1C 307000874 345743708 /nfs/dbraw/zinc/74/37/08/345743708.db2.gz DLGBMLVGNGGAFX-RKDXNWHRSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1[C@@H](C)NCCN1C(=O)CC1CC1 307000866 345743904 /nfs/dbraw/zinc/74/39/04/345743904.db2.gz DLGBMLVGNGGAFX-BDAKNGLRSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@]1(O)CCN(Cc2cnc[nH]2)C1 307005452 345746506 /nfs/dbraw/zinc/74/65/06/345746506.db2.gz DZETWTBVSJNULM-VIFPVBQESA-N 0 3 181.239 0.366 20 0 ACADHN C[C@@]1(O)CCN(Cc2cnc[nH]2)C1 307005451 345746557 /nfs/dbraw/zinc/74/65/57/345746557.db2.gz DZETWTBVSJNULM-SECBINFHSA-N 0 3 181.239 0.366 20 0 ACADHN CNC(=O)CN1CCC[C@@H]1C1CC1 307011846 345751031 /nfs/dbraw/zinc/75/10/31/345751031.db2.gz KGKDLEJDOUADRB-SECBINFHSA-N 0 3 182.267 0.607 20 0 ACADHN CNC(=O)CN1CCC[C@H]1C1CC1 307011848 345751293 /nfs/dbraw/zinc/75/12/93/345751293.db2.gz KGKDLEJDOUADRB-VIFPVBQESA-N 0 3 182.267 0.607 20 0 ACADHN C[C@@H]1CC(=O)NCCN1CCCF 307012283 345751698 /nfs/dbraw/zinc/75/16/98/345751698.db2.gz KWKKIVMLMKZEAT-MRVPVSSYSA-N 0 3 188.246 0.556 20 0 ACADHN C[C@H](N)C(=O)N1CCC2(CCC2)C1 307012790 345752205 /nfs/dbraw/zinc/75/22/05/345752205.db2.gz QLYJLTVBRDQDRB-QMMMGPOBSA-N 0 3 182.267 0.736 20 0 ACADHN C[C@H]1CC(=O)NCCN1CCCF 307012509 345752216 /nfs/dbraw/zinc/75/22/16/345752216.db2.gz KWKKIVMLMKZEAT-QMMMGPOBSA-N 0 3 188.246 0.556 20 0 ACADHN CN1CC=C(CNC(=O)N(C)C)CC1 307014033 345753109 /nfs/dbraw/zinc/75/31/09/345753109.db2.gz SBOKOWLBVKNBPU-UHFFFAOYSA-N 0 3 197.282 0.520 20 0 ACADHN CC[C@H]1CCC[C@H]1NC(=O)CN 307014688 345753174 /nfs/dbraw/zinc/75/31/74/345753174.db2.gz MZPQHEVRUIZROT-JGVFFNPUSA-N 0 3 170.256 0.640 20 0 ACADHN CC[C@@H]1CCC[C@@H]1NC(=O)CN 307014698 345753286 /nfs/dbraw/zinc/75/32/86/345753286.db2.gz MZPQHEVRUIZROT-SFYZADRCSA-N 0 3 170.256 0.640 20 0 ACADHN CC[C@H]1CCC[C@@H]1NC(=O)CN 307014707 345753383 /nfs/dbraw/zinc/75/33/83/345753383.db2.gz MZPQHEVRUIZROT-YUMQZZPRSA-N 0 3 170.256 0.640 20 0 ACADHN C[C@H]1CN(Cc2cn[nH]c2)C[C@@H]1O 307029449 345764797 /nfs/dbraw/zinc/76/47/97/345764797.db2.gz CLFMGMSSLYQJEC-CBAPKCEASA-N 0 3 181.239 0.222 20 0 ACADHN C[C@@H]1CN(Cc2cn[nH]c2)C[C@@H]1O 307029448 345765100 /nfs/dbraw/zinc/76/51/00/345765100.db2.gz CLFMGMSSLYQJEC-APPZFPTMSA-N 0 3 181.239 0.222 20 0 ACADHN C[C@@H]1CN(Cc2cn[nH]c2)C[C@H]1O 307029454 345765127 /nfs/dbraw/zinc/76/51/27/345765127.db2.gz CLFMGMSSLYQJEC-VXNVDRBHSA-N 0 3 181.239 0.222 20 0 ACADHN C[C@H]1CN(Cc2cn[nH]c2)C[C@H]1O 307029451 345765136 /nfs/dbraw/zinc/76/51/36/345765136.db2.gz CLFMGMSSLYQJEC-IONNQARKSA-N 0 3 181.239 0.222 20 0 ACADHN NCC(=O)N1CCC2(CCC2)CC1 307029915 345765719 /nfs/dbraw/zinc/76/57/19/345765719.db2.gz DBZQHBMXFXRITB-UHFFFAOYSA-N 0 3 182.267 0.738 20 0 ACADHN CNCC(=O)N1CC[C@@H](C)[C@H]1C 307041096 345772449 /nfs/dbraw/zinc/77/24/49/345772449.db2.gz RDTKHGNNZDNVPN-HTQZYQBOSA-N 0 3 170.256 0.463 20 0 ACADHN CNCC(=O)N1CC[C@@H](C)[C@@H]1C 307041098 345772541 /nfs/dbraw/zinc/77/25/41/345772541.db2.gz RDTKHGNNZDNVPN-SFYZADRCSA-N 0 3 170.256 0.463 20 0 ACADHN CNCC(=O)N1CC[C@H](C)[C@H]1C 307041097 345772549 /nfs/dbraw/zinc/77/25/49/345772549.db2.gz RDTKHGNNZDNVPN-JGVFFNPUSA-N 0 3 170.256 0.463 20 0 ACADHN CNCC(=O)N1CC[C@H](C)[C@@H]1C 307041099 345772654 /nfs/dbraw/zinc/77/26/54/345772654.db2.gz RDTKHGNNZDNVPN-YUMQZZPRSA-N 0 3 170.256 0.463 20 0 ACADHN CCc1nc(N2CCNCC2)no1 307043221 345774289 /nfs/dbraw/zinc/77/42/89/345774289.db2.gz ULLWQXMOEXLKAO-UHFFFAOYSA-N 0 3 182.227 0.042 20 0 ACADHN CCc1[nH]nc(NC(=O)[C@@H](C)N)c1C 307047202 345776727 /nfs/dbraw/zinc/77/67/27/345776727.db2.gz ZZEAECZVTYYTRP-ZCFIWIBFSA-N 0 3 196.254 0.566 20 0 ACADHN CCc1ncc(NC(=O)[C@@H](C)N)cn1 307047190 345776739 /nfs/dbraw/zinc/77/67/39/345776739.db2.gz ZXGGQBNNOTXYDF-ZCFIWIBFSA-N 0 3 194.238 0.325 20 0 ACADHN CCc1[nH]nc(NC(=O)[C@H](C)N)c1C 307047201 345776750 /nfs/dbraw/zinc/77/67/50/345776750.db2.gz ZZEAECZVTYYTRP-LURJTMIESA-N 0 3 196.254 0.566 20 0 ACADHN CN(C)C(=O)[C@@H]1CCCN1C1CC1 307047441 345776822 /nfs/dbraw/zinc/77/68/22/345776822.db2.gz FIWSPMZABYIUAO-VIFPVBQESA-N 0 3 182.267 0.701 20 0 ACADHN CN(C)C(=O)[C@H]1CCCN1C1CC1 307047438 345776887 /nfs/dbraw/zinc/77/68/87/345776887.db2.gz FIWSPMZABYIUAO-SECBINFHSA-N 0 3 182.267 0.701 20 0 ACADHN C[C@H]1CN(C)[C@H](C)CN1CCO 307047744 345777439 /nfs/dbraw/zinc/77/74/39/345777439.db2.gz BILKPUZRYSNGQZ-BDAKNGLRSA-N 0 3 172.272 0.003 20 0 ACADHN C[C@H]1CN(CCO)[C@@H](C)CN1C 307047746 345777455 /nfs/dbraw/zinc/77/74/55/345777455.db2.gz BILKPUZRYSNGQZ-IUCAKERBSA-N 0 3 172.272 0.003 20 0 ACADHN C[C@H]1CN(CCO)[C@H](C)CN1C 307047745 345777493 /nfs/dbraw/zinc/77/74/93/345777493.db2.gz BILKPUZRYSNGQZ-DTWKUNHWSA-N 0 3 172.272 0.003 20 0 ACADHN C[C@H](N)C(=O)N[C@H]1C=CCCC1 307051464 345780100 /nfs/dbraw/zinc/78/01/00/345780100.db2.gz IUWWKUOKWNYHEF-YUMQZZPRSA-N 0 3 168.240 0.559 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1C=CCCC1 307051463 345780353 /nfs/dbraw/zinc/78/03/53/345780353.db2.gz IUWWKUOKWNYHEF-JGVFFNPUSA-N 0 3 168.240 0.559 20 0 ACADHN CN1CCN(CC[C@H]2CCCO2)CC1 307052584 345780687 /nfs/dbraw/zinc/78/06/87/345780687.db2.gz UROIKNQMHBQOSZ-LLVKDONJSA-N 0 3 198.310 0.803 20 0 ACADHN CN1CCN(CC[C@@H]2CCCO2)CC1 307052585 345780927 /nfs/dbraw/zinc/78/09/27/345780927.db2.gz UROIKNQMHBQOSZ-NSHDSACASA-N 0 3 198.310 0.803 20 0 ACADHN C[C@H]1[C@H](C)CCN1C(=O)[C@@H](C)N 307053922 345781126 /nfs/dbraw/zinc/78/11/26/345781126.db2.gz QFWBNOMBHKOQMO-PRJMDXOYSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@H]1C[C@H]1CN1CCN(C)CC1 307053770 345781170 /nfs/dbraw/zinc/78/11/70/345781170.db2.gz KVZPKNYEXDZRSO-UWVGGRQHSA-N 0 3 168.284 0.890 20 0 ACADHN C[C@@H](N)C(=O)N1CC[C@@H](C)[C@H]1C 307053921 345781228 /nfs/dbraw/zinc/78/12/28/345781228.db2.gz QFWBNOMBHKOQMO-BWZBUEFSSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@H]1CCN(C(=O)[C@@H](C)N)[C@@H]1C 307053924 345781367 /nfs/dbraw/zinc/78/13/67/345781367.db2.gz QFWBNOMBHKOQMO-XLPZGREQSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@H]1CCN(C(=O)[C@@H](C)N)[C@H]1C 307053923 345781489 /nfs/dbraw/zinc/78/14/89/345781489.db2.gz QFWBNOMBHKOQMO-RNJXMRFFSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@H]1C[C@@H]1CN1CCN(C)CC1 307053771 345781523 /nfs/dbraw/zinc/78/15/23/345781523.db2.gz KVZPKNYEXDZRSO-VHSXEESVSA-N 0 3 168.284 0.890 20 0 ACADHN C[C@H]1C[C@H](O)CN1Cc1cn[nH]c1 307059542 345784981 /nfs/dbraw/zinc/78/49/81/345784981.db2.gz MWDOHYQOODORGO-CBAPKCEASA-N 0 3 181.239 0.365 20 0 ACADHN C[C@@H]1C[C@H](O)CN1Cc1cn[nH]c1 307059541 345785064 /nfs/dbraw/zinc/78/50/64/345785064.db2.gz MWDOHYQOODORGO-APPZFPTMSA-N 0 3 181.239 0.365 20 0 ACADHN C[C@@H]1C[C@@H](O)CN1Cc1cn[nH]c1 307059944 345785693 /nfs/dbraw/zinc/78/56/93/345785693.db2.gz MWDOHYQOODORGO-VXNVDRBHSA-N 0 3 181.239 0.365 20 0 ACADHN Cc1c[nH]c(NC(=O)[C@@H](N)C(C)C)n1 307068392 345790962 /nfs/dbraw/zinc/79/09/62/345790962.db2.gz CEJXJYUTIPHZED-ZETCQYMHSA-N 0 3 196.254 0.640 20 0 ACADHN CC1(C)CN(CC(N)=O)[C@H]2CCC[C@H]21 307077179 345796289 /nfs/dbraw/zinc/79/62/89/345796289.db2.gz GEOLQTQUCFXAOZ-BDAKNGLRSA-N 0 3 196.294 0.982 20 0 ACADHN CC1(C)CN(CC(N)=O)[C@H]2CCC[C@@H]21 307077181 345796306 /nfs/dbraw/zinc/79/63/06/345796306.db2.gz GEOLQTQUCFXAOZ-IUCAKERBSA-N 0 3 196.294 0.982 20 0 ACADHN CC1(C)CN(CC(N)=O)[C@@H]2CCC[C@@H]21 307077180 345796740 /nfs/dbraw/zinc/79/67/40/345796740.db2.gz GEOLQTQUCFXAOZ-DTWKUNHWSA-N 0 3 196.294 0.982 20 0 ACADHN CC1(C)CN(CC(N)=O)[C@@H]2CCC[C@H]21 307077182 345796777 /nfs/dbraw/zinc/79/67/77/345796777.db2.gz GEOLQTQUCFXAOZ-RKDXNWHRSA-N 0 3 196.294 0.982 20 0 ACADHN CCN(C)C(=O)[C@H]1CCCCN1C 307085866 345801672 /nfs/dbraw/zinc/80/16/72/345801672.db2.gz MXCCXUIYLFLQGY-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CCN(C)C(=O)[C@@H]1CCCCN1C 307085868 345801886 /nfs/dbraw/zinc/80/18/86/345801886.db2.gz MXCCXUIYLFLQGY-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN c1nsnc1COC1CNC1 307087309 345802092 /nfs/dbraw/zinc/80/20/92/345802092.db2.gz LFWBNRHPPGOVSW-UHFFFAOYSA-N 0 3 171.225 0.027 20 0 ACADHN CC(C)NC(=O)[C@H](N)C1CCC1 307087287 345802314 /nfs/dbraw/zinc/80/23/14/345802314.db2.gz LFFIAGLAEVJWKJ-MRVPVSSYSA-N 0 3 170.256 0.638 20 0 ACADHN CN1C[C@H](NCc2cc[nH]c2)CC1=O 307088172 345802845 /nfs/dbraw/zinc/80/28/45/345802845.db2.gz SRNVWFGPAYMRPY-SECBINFHSA-N 0 3 193.250 0.335 20 0 ACADHN CN1C[C@@H](NCc2cc[nH]c2)CC1=O 307088173 345802879 /nfs/dbraw/zinc/80/28/79/345802879.db2.gz SRNVWFGPAYMRPY-VIFPVBQESA-N 0 3 193.250 0.335 20 0 ACADHN C[C@@]1(N)C[C@@H]1F 307090336 345804011 /nfs/dbraw/zinc/80/40/11/345804011.db2.gz POXPZZKUMFCRIP-IUYQGCFVSA-N 0 3 89.113 0.446 20 0 ACADHN C[C@@]1(N)C[C@H]1F 307090337 345804069 /nfs/dbraw/zinc/80/40/69/345804069.db2.gz POXPZZKUMFCRIP-QWWZWVQMSA-N 0 3 89.113 0.446 20 0 ACADHN C[C@]1(N)C[C@@H]1F 307090335 345804228 /nfs/dbraw/zinc/80/42/28/345804228.db2.gz POXPZZKUMFCRIP-IMJSIDKUSA-N 0 3 89.113 0.446 20 0 ACADHN C[C@]1(N)C[C@H]1F 307090334 345804331 /nfs/dbraw/zinc/80/43/31/345804331.db2.gz POXPZZKUMFCRIP-DMTCNVIQSA-N 0 3 89.113 0.446 20 0 ACADHN CCn1nccc1NC(=O)C1(N)CC1 307103028 345811297 /nfs/dbraw/zinc/81/12/97/345811297.db2.gz BJSDTJZMMSNFRG-UHFFFAOYSA-N 0 3 194.238 0.333 20 0 ACADHN Cc1nnc(NC2CCN(C)CC2)o1 307103832 345811666 /nfs/dbraw/zinc/81/16/66/345811666.db2.gz WUJJLDLJKIYGDP-UHFFFAOYSA-N 0 3 196.254 0.884 20 0 ACADHN C[C@@H](N)C(=O)N1CCc2ncccc21 307111143 345815720 /nfs/dbraw/zinc/81/57/20/345815720.db2.gz LBRCTMDSNPOKIN-SSDOTTSWSA-N 0 3 191.234 0.318 20 0 ACADHN C[C@H](N)C(=O)N1CCc2ncccc21 307111144 345815909 /nfs/dbraw/zinc/81/59/09/345815909.db2.gz LBRCTMDSNPOKIN-ZETCQYMHSA-N 0 3 191.234 0.318 20 0 ACADHN CNC(=O)CN1CC[C@@H](C)[C@@H](C)C1 307123639 345822672 /nfs/dbraw/zinc/82/26/72/345822672.db2.gz XTTZGLXQWWSHEP-BDAKNGLRSA-N 0 3 184.283 0.710 20 0 ACADHN CNC(=O)CN1CC[C@H](C)[C@@H](C)C1 307123641 345822774 /nfs/dbraw/zinc/82/27/74/345822774.db2.gz XTTZGLXQWWSHEP-IUCAKERBSA-N 0 3 184.283 0.710 20 0 ACADHN CNC(=O)CN1CC[C@H](C)[C@H](C)C1 307123640 345822784 /nfs/dbraw/zinc/82/27/84/345822784.db2.gz XTTZGLXQWWSHEP-DTWKUNHWSA-N 0 3 184.283 0.710 20 0 ACADHN Cl/C=C/CN1CCc2n[nH]nc2C1 307127867 345826350 /nfs/dbraw/zinc/82/63/50/345826350.db2.gz CVTXCPDWBGTLRL-HNQUOIGGSA-N 0 3 198.657 0.915 20 0 ACADHN CCC1CCN([C@@H]2COC[C@H]2O)CC1 307131331 345827949 /nfs/dbraw/zinc/82/79/49/345827949.db2.gz ZWWRFVMMFSOWKG-GHMZBOCLSA-N 0 3 199.294 0.868 20 0 ACADHN CCC1CCN([C@H]2COC[C@H]2O)CC1 307131334 345828092 /nfs/dbraw/zinc/82/80/92/345828092.db2.gz ZWWRFVMMFSOWKG-WDEREUQCSA-N 0 3 199.294 0.868 20 0 ACADHN CNC(=O)CN1C2CCC1CC2 307131897 345828741 /nfs/dbraw/zinc/82/87/41/345828741.db2.gz GRFPLYDVHVIUTA-UHFFFAOYSA-N 0 3 168.240 0.359 20 0 ACADHN CC1(C)CCCCN(CC(N)=O)C1 307135834 345830645 /nfs/dbraw/zinc/83/06/45/345830645.db2.gz RWBUVEJIJKEYCO-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN CC1(C)CN(C(=O)C2(C)CC2)CCN1 307139736 345833981 /nfs/dbraw/zinc/83/39/81/345833981.db2.gz AXQDJEADSOISRA-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN Cn1cnc(CNC2CCOCC2)c1 307143606 345837243 /nfs/dbraw/zinc/83/72/43/345837243.db2.gz GWULTJGTMOJXCZ-UHFFFAOYSA-N 0 3 195.266 0.689 20 0 ACADHN C[C@H]1C[C@@H](NC(N)=O)CN1C1CC1 307146564 345839466 /nfs/dbraw/zinc/83/94/66/345839466.db2.gz HFNGDAVOJYESTH-NKWVEPMBSA-N 0 3 183.255 0.280 20 0 ACADHN CCCn1cc(NC(=O)[C@H](C)N)cn1 307146536 345839579 /nfs/dbraw/zinc/83/95/79/345839579.db2.gz HDYYMWVLKIJWCK-ZETCQYMHSA-N 0 3 196.254 0.579 20 0 ACADHN C[C@H]1C[C@H](NC(N)=O)CN1C1CC1 307146562 345839642 /nfs/dbraw/zinc/83/96/42/345839642.db2.gz HFNGDAVOJYESTH-BQBZGAKWSA-N 0 3 183.255 0.280 20 0 ACADHN C[C@H]1[NH2+]CC[C@@H]1[N-]C(=O)C(F)F 307146969 345840199 /nfs/dbraw/zinc/84/01/99/345840199.db2.gz OESIYWLLROJAPM-UHNVWZDZSA-N 0 3 178.182 0.118 20 0 ACADHN CC(F)(F)C(=O)[N-][C@@]1(C)CC[NH2+]C1 307148889 345841942 /nfs/dbraw/zinc/84/19/42/345841942.db2.gz QQWNIVDOJOADHE-ZETCQYMHSA-N 0 3 192.209 0.510 20 0 ACADHN CC(F)(F)C(=O)[N-][C@]1(C)CC[NH2+]C1 307148888 345842235 /nfs/dbraw/zinc/84/22/35/345842235.db2.gz QQWNIVDOJOADHE-SSDOTTSWSA-N 0 3 192.209 0.510 20 0 ACADHN CCc1cnc(NC(=O)[C@H](C)N)s1 307150605 345842831 /nfs/dbraw/zinc/84/28/31/345842831.db2.gz UJOKKLCKWRHAOE-YFKPBYRVSA-N 0 3 199.279 0.991 20 0 ACADHN Cc1cc(NC(=O)[C@H]2CCN2)ccn1 307158929 345851061 /nfs/dbraw/zinc/85/10/61/345851061.db2.gz TZENLHSCFQXVQO-SECBINFHSA-N 0 3 191.234 0.690 20 0 ACADHN C[C@@H]1CCCC[C@H]1[C@H](N)C(N)=O 307165388 345856724 /nfs/dbraw/zinc/85/67/24/345856724.db2.gz NDRFVWZSBOHFJO-PRJMDXOYSA-N 0 3 170.256 0.625 20 0 ACADHN C[C@@H]1CCCC[C@@H]1[C@H](N)C(N)=O 307165386 345856831 /nfs/dbraw/zinc/85/68/31/345856831.db2.gz NDRFVWZSBOHFJO-CSMHCCOUSA-N 0 3 170.256 0.625 20 0 ACADHN C[C@@H]1CCCC[C@H]1[C@@H](N)C(N)=O 307165385 345856891 /nfs/dbraw/zinc/85/68/91/345856891.db2.gz NDRFVWZSBOHFJO-BWZBUEFSSA-N 0 3 170.256 0.625 20 0 ACADHN C[C@@H]1CCCC[C@@H]1[C@@H](N)C(N)=O 307165387 345857050 /nfs/dbraw/zinc/85/70/50/345857050.db2.gz NDRFVWZSBOHFJO-GJMOJQLCSA-N 0 3 170.256 0.625 20 0 ACADHN COc1cccnc1NC(=O)[C@H](C)N 307166211 345857850 /nfs/dbraw/zinc/85/78/50/345857850.db2.gz OIZGKKDHXOZUEF-LURJTMIESA-N 0 3 195.222 0.376 20 0 ACADHN CNC(=S)NCC1=CCN(C)CC1 307167099 345859904 /nfs/dbraw/zinc/85/99/04/345859904.db2.gz QRTSWRNPMUBIFT-UHFFFAOYSA-N 0 3 199.323 0.342 20 0 ACADHN CC1(c2nc(C3CC3)no2)CNC1 307174956 345866232 /nfs/dbraw/zinc/86/62/32/345866232.db2.gz RMPZSHCYYRDCSL-UHFFFAOYSA-N 0 3 179.223 0.808 20 0 ACADHN CC1(C)[C@H]2CN(C(=O)C3(N)CC3)C[C@H]21 307178088 345867946 /nfs/dbraw/zinc/86/79/46/345867946.db2.gz JMRIQZFCSWIYJE-OCAPTIKFSA-N 0 3 194.278 0.592 20 0 ACADHN CCCN(C)[C@H]1COC[C@H]1O 307184082 345872492 /nfs/dbraw/zinc/87/24/92/345872492.db2.gz ZWGMKWKMMOUYRV-JGVFFNPUSA-N 0 3 159.229 0.088 20 0 ACADHN C[C@H](C(N)=O)N1CCC2(CC1)CC2 307184970 345873109 /nfs/dbraw/zinc/87/31/09/345873109.db2.gz RGPXGPLANWPTMJ-MRVPVSSYSA-N 0 3 182.267 0.736 20 0 ACADHN CCCN1CCC[C@H]2C(=O)NC[C@H]21 307187950 345875127 /nfs/dbraw/zinc/87/51/27/345875127.db2.gz APQXZJKDAFCJSD-RKDXNWHRSA-N 0 3 182.267 0.607 20 0 ACADHN CCCN1CCCC[C@H]1C(=O)NC 307188282 345875547 /nfs/dbraw/zinc/87/55/47/345875547.db2.gz WWJURYHCVJCWJH-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CCCN1CCCC[C@@H]1C(=O)NC 307188281 345875665 /nfs/dbraw/zinc/87/56/65/345875665.db2.gz WWJURYHCVJCWJH-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CC[C@H]1[C@@H](C)CCN1CC(N)=O 307193246 345879217 /nfs/dbraw/zinc/87/92/17/345879217.db2.gz NOLVMIDBNCKHJB-YUMQZZPRSA-N 0 3 170.256 0.592 20 0 ACADHN CNCC(=O)Nc1ccc(C)cc1O 307193249 345879328 /nfs/dbraw/zinc/87/93/28/345879328.db2.gz NPEZQQGKGZKEOB-UHFFFAOYSA-N 0 3 194.234 0.859 20 0 ACADHN CC[C@H]1[C@H](C)CCN1CC(N)=O 307193245 345879341 /nfs/dbraw/zinc/87/93/41/345879341.db2.gz NOLVMIDBNCKHJB-SFYZADRCSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@@H]1[C@@H](C)CCN1CC(N)=O 307193244 345879348 /nfs/dbraw/zinc/87/93/48/345879348.db2.gz NOLVMIDBNCKHJB-JGVFFNPUSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@@H]1[C@H](C)CCN1CC(N)=O 307193243 345879395 /nfs/dbraw/zinc/87/93/95/345879395.db2.gz NOLVMIDBNCKHJB-HTQZYQBOSA-N 0 3 170.256 0.592 20 0 ACADHN COc1ccc(NC(=O)[C@@H](C)N)nc1 307194706 345880555 /nfs/dbraw/zinc/88/05/55/345880555.db2.gz PYMJSDAIUFAGME-ZCFIWIBFSA-N 0 3 195.222 0.376 20 0 ACADHN CNC(=O)CN(C)C1CCCC1 307195288 345881095 /nfs/dbraw/zinc/88/10/95/345881095.db2.gz RGKCEORQOSXHTA-UHFFFAOYSA-N 0 3 170.256 0.607 20 0 ACADHN C[C@H]1CCN(CC(=O)NC2CC2)C1 307197508 345883287 /nfs/dbraw/zinc/88/32/87/345883287.db2.gz VZBMIMTUSNNGEN-QMMMGPOBSA-N 0 3 182.267 0.607 20 0 ACADHN CCN1CC[C@@H]2COC(=O)N[C@H]2C1 307200053 345884907 /nfs/dbraw/zinc/88/49/07/345884907.db2.gz YURBQZATOQCYTO-SFYZADRCSA-N 0 3 184.239 0.437 20 0 ACADHN CCCN1CC[C@@H](C)C[C@@H]1C(N)=O 307199528 345885038 /nfs/dbraw/zinc/88/50/38/345885038.db2.gz ZXNQGRGQYUZYMF-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN CCCN1CC[C@H](C)C[C@H]1C(N)=O 307199526 345885063 /nfs/dbraw/zinc/88/50/63/345885063.db2.gz ZXNQGRGQYUZYMF-IUCAKERBSA-N 0 3 184.283 0.982 20 0 ACADHN CCCN1CC[C@@H](C)C[C@H]1C(N)=O 307199522 345885177 /nfs/dbraw/zinc/88/51/77/345885177.db2.gz ZXNQGRGQYUZYMF-BDAKNGLRSA-N 0 3 184.283 0.982 20 0 ACADHN CCCN1CC[C@H](C)C[C@@H]1C(N)=O 307199524 345885197 /nfs/dbraw/zinc/88/51/97/345885197.db2.gz ZXNQGRGQYUZYMF-DTWKUNHWSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H]([NH3+])C(=O)Nc1ccncc1[O-] 307206592 345890619 /nfs/dbraw/zinc/89/06/19/345890619.db2.gz LGOUGSWTWMEXFK-YFKPBYRVSA-N 0 3 181.195 0.073 20 0 ACADHN C[C@H](N)C(=O)N1C[C@H](C)CC1(C)C 307222974 345901589 /nfs/dbraw/zinc/90/15/89/345901589.db2.gz JTNJNYBTNPKZSW-SFYZADRCSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H](N)C(=O)Nc1cc(C2CC2)[nH]n1 307226583 345904254 /nfs/dbraw/zinc/90/42/54/345904254.db2.gz VQGABZXZUGKFIJ-YFKPBYRVSA-N 0 3 194.238 0.573 20 0 ACADHN CNCC(=O)Nc1ncccc1OC 307230049 345907036 /nfs/dbraw/zinc/90/70/36/345907036.db2.gz AISWANINSJIYMJ-UHFFFAOYSA-N 0 3 195.222 0.248 20 0 ACADHN NC(=O)[C@H](N)CC1CC(F)(F)C1 307249111 345921702 /nfs/dbraw/zinc/92/17/02/345921702.db2.gz OAIGWZWYWZRGMW-RXMQYKEDSA-N 0 3 178.182 0.234 20 0 ACADHN NC(=O)[C@@H](N)CC1CC(F)(F)C1 307249112 345921775 /nfs/dbraw/zinc/92/17/75/345921775.db2.gz OAIGWZWYWZRGMW-YFKPBYRVSA-N 0 3 178.182 0.234 20 0 ACADHN C[C@H](O)CN1CC[C@](C)(F)C1 307256320 345927706 /nfs/dbraw/zinc/92/77/06/345927706.db2.gz DTDLHMWHLRCGAQ-YUMQZZPRSA-N 0 3 161.220 0.801 20 0 ACADHN C[C@H](O)CN1CC[C@@](C)(F)C1 307256316 345927935 /nfs/dbraw/zinc/92/79/35/345927935.db2.gz DTDLHMWHLRCGAQ-JGVFFNPUSA-N 0 3 161.220 0.801 20 0 ACADHN C[C@H]1[C@@H](CO)CCN1Cc1ccno1 307267674 345936075 /nfs/dbraw/zinc/93/60/75/345936075.db2.gz DXHAAQMIJGPVAY-DTWKUNHWSA-N 0 3 196.250 0.877 20 0 ACADHN CNC(=O)CNC1CC(C)(C)C1 307267463 345936081 /nfs/dbraw/zinc/93/60/81/345936081.db2.gz FCBGCEZHERUHPO-UHFFFAOYSA-N 0 3 170.256 0.511 20 0 ACADHN C[C@H]1[C@H](CO)CCN1Cc1ccno1 307267676 345936205 /nfs/dbraw/zinc/93/62/05/345936205.db2.gz DXHAAQMIJGPVAY-IUCAKERBSA-N 0 3 196.250 0.877 20 0 ACADHN C[C@H]1CCN(C(=O)[C@H](N)C2CCC2)C1 307280002 345944193 /nfs/dbraw/zinc/94/41/93/345944193.db2.gz YCNJYNAQZFEFPY-WCBMZHEXSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@H]1CCN(C(=O)[C@@H](N)C2CCC2)C1 307280003 345944227 /nfs/dbraw/zinc/94/42/27/345944227.db2.gz YCNJYNAQZFEFPY-WPRPVWTQSA-N 0 3 196.294 0.982 20 0 ACADHN CCCN1CC[C@H](NC(N)=O)C1 307281159 345944808 /nfs/dbraw/zinc/94/48/08/345944808.db2.gz AHRPALJQFQETAG-ZETCQYMHSA-N 0 3 171.244 0.139 20 0 ACADHN CCCN1CC[C@@H](NC(N)=O)C1 307281154 345945043 /nfs/dbraw/zinc/94/50/43/345945043.db2.gz AHRPALJQFQETAG-SSDOTTSWSA-N 0 3 171.244 0.139 20 0 ACADHN CN(C[C@H]1CCCO1)[C@H]1CCOC1 307283077 345945972 /nfs/dbraw/zinc/94/59/72/345945972.db2.gz JDYNAWZTMYPZNQ-VHSXEESVSA-N 0 3 185.267 0.886 20 0 ACADHN NC(=O)CN1C2CCC1CC2 307282638 345946081 /nfs/dbraw/zinc/94/60/81/345946081.db2.gz ITNYYDBFYFOLAC-UHFFFAOYSA-N 0 3 154.213 0.099 20 0 ACADHN CN(C[C@H]1CCCO1)[C@@H]1CCOC1 307283076 345946165 /nfs/dbraw/zinc/94/61/65/345946165.db2.gz JDYNAWZTMYPZNQ-NXEZZACHSA-N 0 3 185.267 0.886 20 0 ACADHN CC(=O)NCCN1CC[C@@H](C)C1 307293971 345951914 /nfs/dbraw/zinc/95/19/14/345951914.db2.gz OXZLGJAVTBRZDZ-MRVPVSSYSA-N 0 3 170.256 0.464 20 0 ACADHN Cc1c[nH]c(NC(=O)C2(N)CC2)n1 307293977 345951932 /nfs/dbraw/zinc/95/19/32/345951932.db2.gz MZJQRPHKECXYTF-UHFFFAOYSA-N 0 3 180.211 0.148 20 0 ACADHN CC(=O)NCCN1CC[C@H](C)C1 307293976 345951994 /nfs/dbraw/zinc/95/19/94/345951994.db2.gz OXZLGJAVTBRZDZ-QMMMGPOBSA-N 0 3 170.256 0.464 20 0 ACADHN C[C@H](C(N)=O)N1CCC2(CCC2)C1 307301947 345956559 /nfs/dbraw/zinc/95/65/59/345956559.db2.gz YFYCUJSHNYCOJW-MRVPVSSYSA-N 0 3 182.267 0.736 20 0 ACADHN CC(C)(C)NC(=O)[C@]1(F)CCNC1 307318205 345967928 /nfs/dbraw/zinc/96/79/28/345967928.db2.gz QCJSQNUZBXVANV-VIFPVBQESA-N 0 3 188.246 0.603 20 0 ACADHN CC(C)(C)NC(=O)[C@@]1(F)CCNC1 307318203 345967933 /nfs/dbraw/zinc/96/79/33/345967933.db2.gz QCJSQNUZBXVANV-SECBINFHSA-N 0 3 188.246 0.603 20 0 ACADHN CC(F)(F)C(=O)N1CCCNCC1 307320781 345969497 /nfs/dbraw/zinc/96/94/97/345969497.db2.gz VSCXUEXKNTTZCS-UHFFFAOYSA-N 0 3 192.209 0.464 20 0 ACADHN C[C@H]1CN(C(=O)[C@@H](C)N)C(C)(C)C1 307327794 345973857 /nfs/dbraw/zinc/97/38/57/345973857.db2.gz JTNJNYBTNPKZSW-HTQZYQBOSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H]1CN(CC(N)=O)CC(C)(C)C1 307331945 345976099 /nfs/dbraw/zinc/97/60/99/345976099.db2.gz ZWLWGBJJRFBHHC-MRVPVSSYSA-N 0 3 184.283 0.840 20 0 ACADHN CC(C)NC(=O)[C@H]1NCC1(C)C 307345638 345984819 /nfs/dbraw/zinc/98/48/19/345984819.db2.gz KXYMLIXZMSWSCU-SSDOTTSWSA-N 0 3 170.256 0.509 20 0 ACADHN CC(C)NC(=O)[C@@H]1NCC1(C)C 307345639 345984871 /nfs/dbraw/zinc/98/48/71/345984871.db2.gz KXYMLIXZMSWSCU-ZETCQYMHSA-N 0 3 170.256 0.509 20 0 ACADHN Cc1cnn(C)c1CNC1CC1 307355803 345991315 /nfs/dbraw/zinc/99/13/15/345991315.db2.gz WEVVYXITINBBGB-UHFFFAOYSA-N 0 3 165.240 0.981 20 0 ACADHN CO[C@H](CN)c1cn(C)cn1 307358783 345992894 /nfs/dbraw/zinc/99/28/94/345992894.db2.gz FDTORJAFMCEUSN-SSDOTTSWSA-N 0 3 155.201 0.066 20 0 ACADHN CO[C@@H](CN)c1cn(C)cn1 307358785 345993074 /nfs/dbraw/zinc/99/30/74/345993074.db2.gz FDTORJAFMCEUSN-ZETCQYMHSA-N 0 3 155.201 0.066 20 0 ACADHN CNCC(=O)Nc1sc(C)nc1C 307360858 345994358 /nfs/dbraw/zinc/99/43/58/345994358.db2.gz FDZHXKDUDZOVAK-UHFFFAOYSA-N 0 3 199.279 0.918 20 0 ACADHN CCNCc1ccc(C)nn1 307369947 345999860 /nfs/dbraw/zinc/99/98/60/345999860.db2.gz OVCDERKXDQDSAB-UHFFFAOYSA-N 0 3 151.213 0.895 20 0 ACADHN FCCN1CCc2n[nH]nc2C1 307373285 346001848 /nfs/dbraw/zinc/00/18/48/346001848.db2.gz SAJOTKOWQDKGRI-UHFFFAOYSA-N 0 3 170.191 0.132 20 0 ACADHN CCc1cc(NC(=O)[C@H](C)N)n(C)n1 307397580 346016819 /nfs/dbraw/zinc/01/68/19/346016819.db2.gz RGZWAFKRXJWQBM-LURJTMIESA-N 0 3 196.254 0.268 20 0 ACADHN NC(=O)[C@@H](N)C[C@@H]1CCCC1(F)F 307398876 346017285 /nfs/dbraw/zinc/01/72/85/346017285.db2.gz UYTAKKVEZBIIBA-WDSKDSINSA-N 0 3 192.209 0.625 20 0 ACADHN NC(=O)[C@H](N)C[C@H]1CCCC1(F)F 307398874 346017295 /nfs/dbraw/zinc/01/72/95/346017295.db2.gz UYTAKKVEZBIIBA-PHDIDXHHSA-N 0 3 192.209 0.625 20 0 ACADHN NC(=O)[C@H](N)C[C@@H]1CCCC1(F)F 307398873 346017449 /nfs/dbraw/zinc/01/74/49/346017449.db2.gz UYTAKKVEZBIIBA-NTSWFWBYSA-N 0 3 192.209 0.625 20 0 ACADHN CC[C@H](N)C(=O)Nc1ccc(N)nc1 307400134 346018331 /nfs/dbraw/zinc/01/83/31/346018331.db2.gz ZBUJVMXWKLGTDR-ZETCQYMHSA-N 0 3 194.238 0.340 20 0 ACADHN C[C@@H](N)c1cn(Cc2ncc[nH]2)nn1 307413574 346028120 /nfs/dbraw/zinc/02/81/20/346028120.db2.gz IOHXUWDIJFSPAB-ZCFIWIBFSA-N 0 3 192.226 0.069 20 0 ACADHN C[C@H]1CCCN1[C@@H](C)C(=O)N(C)C 307414916 346029132 /nfs/dbraw/zinc/02/91/32/346029132.db2.gz UCPUPCURBHDQKV-IUCAKERBSA-N 0 3 184.283 0.947 20 0 ACADHN C[C@H]1CCCN1[C@H](C)C(=O)N(C)C 307414915 346029214 /nfs/dbraw/zinc/02/92/14/346029214.db2.gz UCPUPCURBHDQKV-DTWKUNHWSA-N 0 3 184.283 0.947 20 0 ACADHN NC(=O)CN1CCC2(CCCC2)C1 307423564 346033372 /nfs/dbraw/zinc/03/33/72/346033372.db2.gz IQJBQLNESFQHTB-UHFFFAOYSA-N 0 3 182.267 0.738 20 0 ACADHN C[C@H]1CCCCN([C@@H](C)C(N)=O)C1 307429006 346035250 /nfs/dbraw/zinc/03/52/50/346035250.db2.gz SWYHEIMEMKPAAF-IUCAKERBSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H]1CCCCN([C@H](C)C(N)=O)C1 307429004 346035335 /nfs/dbraw/zinc/03/53/35/346035335.db2.gz SWYHEIMEMKPAAF-DTWKUNHWSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H]1CCN(CC(N)=O)C[C@H](C)C1 307436534 346039009 /nfs/dbraw/zinc/03/90/09/346039009.db2.gz UCDBGLXESLPLBS-DTWKUNHWSA-N 0 3 184.283 0.840 20 0 ACADHN C[C@H]1C[C@@H](C)CCN(CC(N)=O)C1 307436536 346039261 /nfs/dbraw/zinc/03/92/61/346039261.db2.gz UCDBGLXESLPLBS-IUCAKERBSA-N 0 3 184.283 0.840 20 0 ACADHN C[C@]1(O)CCC[C@@H]1OC1CNC1 307443846 346043806 /nfs/dbraw/zinc/04/38/06/346043806.db2.gz CXXIXLFDUIDMMU-IUCAKERBSA-N 0 3 171.240 0.278 20 0 ACADHN C[C@]1(O)CCC[C@H]1OC1CNC1 307443843 346043878 /nfs/dbraw/zinc/04/38/78/346043878.db2.gz CXXIXLFDUIDMMU-BDAKNGLRSA-N 0 3 171.240 0.278 20 0 ACADHN C[C@@]1(O)CCC[C@@H]1OC1CNC1 307443844 346043993 /nfs/dbraw/zinc/04/39/93/346043993.db2.gz CXXIXLFDUIDMMU-DTWKUNHWSA-N 0 3 171.240 0.278 20 0 ACADHN C[C@@]1(O)CCC[C@H]1OC1CNC1 307443847 346044067 /nfs/dbraw/zinc/04/40/67/346044067.db2.gz CXXIXLFDUIDMMU-RKDXNWHRSA-N 0 3 171.240 0.278 20 0 ACADHN C[C@H]1CN(C)CC[C@@H]1N(C)C(N)=O 307462455 346054871 /nfs/dbraw/zinc/05/48/71/346054871.db2.gz IDLVOMKDAIBFHE-YUMQZZPRSA-N 0 3 185.271 0.337 20 0 ACADHN C[C@@H]1CN(C)CC[C@@H]1N(C)C(N)=O 307462454 346055022 /nfs/dbraw/zinc/05/50/22/346055022.db2.gz IDLVOMKDAIBFHE-SFYZADRCSA-N 0 3 185.271 0.337 20 0 ACADHN C[C@@H]1CN(C)CC[C@H]1N(C)C(N)=O 307462452 346055030 /nfs/dbraw/zinc/05/50/30/346055030.db2.gz IDLVOMKDAIBFHE-HTQZYQBOSA-N 0 3 185.271 0.337 20 0 ACADHN C[C@H]1CN(C)CC[C@H]1N(C)C(N)=O 307462453 346055125 /nfs/dbraw/zinc/05/51/25/346055125.db2.gz IDLVOMKDAIBFHE-JGVFFNPUSA-N 0 3 185.271 0.337 20 0 ACADHN CC(C)[C@@H]1CN(C(N)=O)CCN1C 307468216 346058761 /nfs/dbraw/zinc/05/87/61/346058761.db2.gz LWNAKUCDIBRHPX-QMMMGPOBSA-N 0 3 185.271 0.337 20 0 ACADHN CNCC(=O)N[C@@H]1C=CCCC1 307475290 346063245 /nfs/dbraw/zinc/06/32/45/346063245.db2.gz BHIMKXOXNPQAGB-MRVPVSSYSA-N 0 3 168.240 0.431 20 0 ACADHN CNCC(=O)N[C@H]1C=CCCC1 307475291 346063265 /nfs/dbraw/zinc/06/32/65/346063265.db2.gz BHIMKXOXNPQAGB-QMMMGPOBSA-N 0 3 168.240 0.431 20 0 ACADHN C[C@@]1(O)CCN(Cc2cn[nH]c2)C1 307477843 346064693 /nfs/dbraw/zinc/06/46/93/346064693.db2.gz DPNMSRPKQJNNSP-SECBINFHSA-N 0 3 181.239 0.366 20 0 ACADHN C[C@]1(O)CCN(Cc2cn[nH]c2)C1 307477844 346064812 /nfs/dbraw/zinc/06/48/12/346064812.db2.gz DPNMSRPKQJNNSP-VIFPVBQESA-N 0 3 181.239 0.366 20 0 ACADHN CN1CCC[C@@H]1C(=O)NC1(C)CC1 307479108 346065323 /nfs/dbraw/zinc/06/53/23/346065323.db2.gz FOAHBAIECXXQJD-MRVPVSSYSA-N 0 3 182.267 0.749 20 0 ACADHN CN1CCC[C@H]1C(=O)NC1(C)CC1 307479110 346065435 /nfs/dbraw/zinc/06/54/35/346065435.db2.gz FOAHBAIECXXQJD-QMMMGPOBSA-N 0 3 182.267 0.749 20 0 ACADHN CN(CC(N)=O)[C@H]1CCC(C)(C)C1 307484162 346068390 /nfs/dbraw/zinc/06/83/90/346068390.db2.gz IEHGMRRCHVPNPY-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN CN(CC(N)=O)[C@@H]1CCC(C)(C)C1 307484155 346068541 /nfs/dbraw/zinc/06/85/41/346068541.db2.gz IEHGMRRCHVPNPY-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN CNC(=O)NCCNc1ccncc1 307498817 346075841 /nfs/dbraw/zinc/07/58/41/346075841.db2.gz KYJBPBZQTAOVIZ-UHFFFAOYSA-N 0 3 194.238 0.423 20 0 ACADHN Cc1cc(CN[C@H]2CCC[C@@H]2O)n[nH]1 307503246 346078522 /nfs/dbraw/zinc/07/85/22/346078522.db2.gz VYPRPLREFVVCMB-UWVGGRQHSA-N 0 3 195.266 0.721 20 0 ACADHN Cc1cc(CN[C@H]2CCC[C@@H]2O)[nH]n1 307503246 346078525 /nfs/dbraw/zinc/07/85/25/346078525.db2.gz VYPRPLREFVVCMB-UWVGGRQHSA-N 0 3 195.266 0.721 20 0 ACADHN CCCN1CC[C@H](NC(=O)NC)C1 307512915 346084043 /nfs/dbraw/zinc/08/40/43/346084043.db2.gz FFKJAEFHBSSTAX-QMMMGPOBSA-N 0 3 185.271 0.400 20 0 ACADHN CCCN1CC[C@@H](NC(=O)NC)C1 307512914 346084155 /nfs/dbraw/zinc/08/41/55/346084155.db2.gz FFKJAEFHBSSTAX-MRVPVSSYSA-N 0 3 185.271 0.400 20 0 ACADHN C[C@H]1C[C@@H](O)CN1Cc1cnn(C)c1 307516681 346086108 /nfs/dbraw/zinc/08/61/08/346086108.db2.gz VWJJQJNUEFARRV-WCBMZHEXSA-N 0 3 195.266 0.375 20 0 ACADHN C[C@H]1C[C@H](O)CN1Cc1cnn(C)c1 307516682 346086141 /nfs/dbraw/zinc/08/61/41/346086141.db2.gz VWJJQJNUEFARRV-WPRPVWTQSA-N 0 3 195.266 0.375 20 0 ACADHN CC[C@@H]1C[C@H](C)CN1CC(N)=O 307524663 346091411 /nfs/dbraw/zinc/09/14/11/346091411.db2.gz IWJFFPNXVZDJEZ-JGVFFNPUSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@@H]1C[C@@H](C)CN1CC(N)=O 307524662 346091326 /nfs/dbraw/zinc/09/13/26/346091326.db2.gz IWJFFPNXVZDJEZ-HTQZYQBOSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@H]1C[C@@H](C)CN1CC(N)=O 307524665 346091473 /nfs/dbraw/zinc/09/14/73/346091473.db2.gz IWJFFPNXVZDJEZ-SFYZADRCSA-N 0 3 170.256 0.592 20 0 ACADHN CC(C)[C@H]1CCCCN1CC(N)=O 307530483 346094938 /nfs/dbraw/zinc/09/49/38/346094938.db2.gz VQWXVJSMNDRVNJ-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN CC(C)[C@@H]1CCCCN1CC(N)=O 307530484 346095064 /nfs/dbraw/zinc/09/50/64/346095064.db2.gz VQWXVJSMNDRVNJ-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN CNC(=O)CN1CCC2(CC1)CC2 307531535 346095120 /nfs/dbraw/zinc/09/51/20/346095120.db2.gz XMYOZCDJIXJQHH-UHFFFAOYSA-N 0 3 182.267 0.608 20 0 ACADHN CNC(=O)CN[C@@H]1CSC[C@@H]1C 307532750 346095721 /nfs/dbraw/zinc/09/57/21/346095721.db2.gz NLXDYBHSMPPJNV-NKWVEPMBSA-N 0 3 188.296 0.074 20 0 ACADHN CNC(=O)CN[C@H]1CSC[C@@H]1C 307532749 346095727 /nfs/dbraw/zinc/09/57/27/346095727.db2.gz NLXDYBHSMPPJNV-BQBZGAKWSA-N 0 3 188.296 0.074 20 0 ACADHN CNC(=O)CN[C@@H]1CSC[C@H]1C 307532751 346095801 /nfs/dbraw/zinc/09/58/01/346095801.db2.gz NLXDYBHSMPPJNV-RNFRBKRXSA-N 0 3 188.296 0.074 20 0 ACADHN CNC(=O)CN[C@H]1CSC[C@H]1C 307532757 346096067 /nfs/dbraw/zinc/09/60/67/346096067.db2.gz NLXDYBHSMPPJNV-RQJHMYQMSA-N 0 3 188.296 0.074 20 0 ACADHN CNCC(=O)N1C[C@H](C)CC1(C)C 307544138 346103046 /nfs/dbraw/zinc/10/30/46/346103046.db2.gz GJENEDXWSKLFJF-MRVPVSSYSA-N 0 3 184.283 0.853 20 0 ACADHN CNCC(=O)N1C[C@H]2[C@@H](C1)C2(C)C 307544874 346103415 /nfs/dbraw/zinc/10/34/15/346103415.db2.gz ISISYIDETJTLDY-OCAPTIKFSA-N 0 3 182.267 0.320 20 0 ACADHN CC1(C)[C@H]2CN(C(=O)CN)C[C@H]21 307548772 346106222 /nfs/dbraw/zinc/10/62/22/346106222.db2.gz OSJNVVBJZIJRFB-KNVOCYPGSA-N 0 3 168.240 0.060 20 0 ACADHN NC(=O)NC1CCN(C2CC2)CC1 307559185 346112088 /nfs/dbraw/zinc/11/20/88/346112088.db2.gz WQEGEXPFAXIZKD-UHFFFAOYSA-N 0 3 183.255 0.282 20 0 ACADHN CCCN1CCCN(C(N)=O)CC1 307558796 346112209 /nfs/dbraw/zinc/11/22/09/346112209.db2.gz WNGBMJOLRBCZLN-UHFFFAOYSA-N 0 3 185.271 0.483 20 0 ACADHN CNC(=O)CN1CC[C@@H](C)C[C@H]1C 307573790 346122033 /nfs/dbraw/zinc/12/20/33/346122033.db2.gz GMXCYPJVEPPIIM-RKDXNWHRSA-N 0 3 184.283 0.853 20 0 ACADHN CC[C@@]1(C)CCN(C(=O)CN)C1 307576173 346123589 /nfs/dbraw/zinc/12/35/89/346123589.db2.gz MFRYCXMIEYFFOC-VIFPVBQESA-N 0 3 170.256 0.594 20 0 ACADHN CCN1CCc2nn[nH]c2C1 307576945 346124033 /nfs/dbraw/zinc/12/40/33/346124033.db2.gz KVDDCCNLVSNIMN-UHFFFAOYSA-N 0 3 152.201 0.183 20 0 ACADHN CC(C)CN1CCc2nn[nH]c2C1 307577916 346124681 /nfs/dbraw/zinc/12/46/81/346124681.db2.gz MTJVYPCPHZITCR-UHFFFAOYSA-N 0 3 180.255 0.819 20 0 ACADHN CC(C)N1CCCN(C(N)=O)CC1 307581811 346127346 /nfs/dbraw/zinc/12/73/46/346127346.db2.gz SHFISUIICVJHTG-UHFFFAOYSA-N 0 3 185.271 0.481 20 0 ACADHN CC(C)([NH3+])C[N-]C(=O)C(C)(F)F 307594159 346135244 /nfs/dbraw/zinc/13/52/44/346135244.db2.gz JWNISPDSMFHSIM-UHFFFAOYSA-N 0 3 180.198 0.495 20 0 ACADHN CN1CC=C(CNC(=O)C2CC2)CC1 307599901 346138885 /nfs/dbraw/zinc/13/88/85/346138885.db2.gz RPLANBZDFRLJAK-UHFFFAOYSA-N 0 3 194.278 0.775 20 0 ACADHN C[C@H]1CCN(C(=O)C(C)(C)N)[C@H]1C 307599788 346139008 /nfs/dbraw/zinc/13/90/08/346139008.db2.gz QJLGYOKAXFXUSB-YUMQZZPRSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H]1CCN(C(=O)C(C)(C)N)[C@@H]1C 307599786 346139041 /nfs/dbraw/zinc/13/90/41/346139041.db2.gz QJLGYOKAXFXUSB-JGVFFNPUSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H]1[C@H](C)CCN1C(=O)C(C)(C)N 307599787 346139136 /nfs/dbraw/zinc/13/91/36/346139136.db2.gz QJLGYOKAXFXUSB-SFYZADRCSA-N 0 3 184.283 0.981 20 0 ACADHN FCCN1CCc2n[nH]cc2C1 307611400 346145962 /nfs/dbraw/zinc/14/59/62/346145962.db2.gz JJOPLRIALJVNCZ-UHFFFAOYSA-N 0 3 169.203 0.737 20 0 ACADHN CN(C)C(=O)[C@@H]1CNCCC1(F)F 307612153 346146572 /nfs/dbraw/zinc/14/65/72/346146572.db2.gz KKBZHEGMKGVVEB-LURJTMIESA-N 0 3 192.209 0.319 20 0 ACADHN CN(C)C(=O)[C@H]1CNCCC1(F)F 307612154 346146635 /nfs/dbraw/zinc/14/66/35/346146635.db2.gz KKBZHEGMKGVVEB-ZCFIWIBFSA-N 0 3 192.209 0.319 20 0 ACADHN CNC(=O)CN1C[C@H]2[C@@H](C1)C2(C)C 307613975 346147480 /nfs/dbraw/zinc/14/74/80/346147480.db2.gz KOWRGJYONROTKI-OCAPTIKFSA-N 0 3 182.267 0.320 20 0 ACADHN O[C@H]1CN(CC2=CCCC2)C[C@@H]1O 307618716 346150795 /nfs/dbraw/zinc/15/07/95/346150795.db2.gz ZZSAYEDMHDUCGT-UWVGGRQHSA-N 0 3 183.251 0.134 20 0 ACADHN CC1(C)CN(C(=O)C(F)F)CCN1 307624161 346154030 /nfs/dbraw/zinc/15/40/30/346154030.db2.gz RFLAGMOHEAOZQE-UHFFFAOYSA-N 0 3 192.209 0.462 20 0 ACADHN C[C@H](F)CCN1CCN(C)CC1 307630108 346157988 /nfs/dbraw/zinc/15/79/88/346157988.db2.gz YDFAPHLHRCVXMU-VIFPVBQESA-N 0 3 174.263 0.982 20 0 ACADHN CNC(=O)N(C)[C@H]1CN2CCC1CC2 307631066 346158328 /nfs/dbraw/zinc/15/83/28/346158328.db2.gz ONKCQUPFWADFFA-VIFPVBQESA-N 0 3 197.282 0.352 20 0 ACADHN CNC(=O)N(C)[C@@H]1CN2CCC1CC2 307631065 346158336 /nfs/dbraw/zinc/15/83/36/346158336.db2.gz ONKCQUPFWADFFA-SECBINFHSA-N 0 3 197.282 0.352 20 0 ACADHN CNC(=O)N1CCN(C)CC[C@@H]1C 307635167 346160459 /nfs/dbraw/zinc/16/04/59/346160459.db2.gz UVCGXWPBFBQFME-QMMMGPOBSA-N 0 3 185.271 0.352 20 0 ACADHN CNC(=O)N1CCN(C)CC[C@H]1C 307635166 346160596 /nfs/dbraw/zinc/16/05/96/346160596.db2.gz UVCGXWPBFBQFME-MRVPVSSYSA-N 0 3 185.271 0.352 20 0 ACADHN Cc1c[nH]c(NC(=O)[C@H](N)C(C)C)n1 307660048 346169658 /nfs/dbraw/zinc/16/96/58/346169658.db2.gz CEJXJYUTIPHZED-SSDOTTSWSA-N 0 3 196.254 0.640 20 0 ACADHN CCC(=O)NCC1=CCN(C)CC1 307666531 346172224 /nfs/dbraw/zinc/17/22/24/346172224.db2.gz MVSLJUSYXUEIPO-UHFFFAOYSA-N 0 3 182.267 0.775 20 0 ACADHN CNC(=O)CN(C)CC1CC1 307666034 346172275 /nfs/dbraw/zinc/17/22/75/346172275.db2.gz BOIQEOZREYOMBR-UHFFFAOYSA-N 0 3 156.229 0.074 20 0 ACADHN CNC(=O)CN1CCC[C@H](C)[C@H]1C 307670292 346174218 /nfs/dbraw/zinc/17/42/18/346174218.db2.gz UNUATUQKWIFVKY-DTWKUNHWSA-N 0 3 184.283 0.853 20 0 ACADHN CNC(=O)CN1CCC[C@@H](C)[C@H]1C 307670294 346174443 /nfs/dbraw/zinc/17/44/43/346174443.db2.gz UNUATUQKWIFVKY-RKDXNWHRSA-N 0 3 184.283 0.853 20 0 ACADHN CNC(=O)CN1CCC[C@@H](C)[C@@H]1C 307670291 346174452 /nfs/dbraw/zinc/17/44/52/346174452.db2.gz UNUATUQKWIFVKY-BDAKNGLRSA-N 0 3 184.283 0.853 20 0 ACADHN C[C@H]1CN(C)CCN1CCCF 307685269 346182499 /nfs/dbraw/zinc/18/24/99/346182499.db2.gz YBVKWZLWZSGAKK-VIFPVBQESA-N 0 3 174.263 0.982 20 0 ACADHN CNC(=O)[C@H]1CCCN1C1CC1 307685725 346182544 /nfs/dbraw/zinc/18/25/44/346182544.db2.gz ZQMVUMJYGZPYQF-MRVPVSSYSA-N 0 3 168.240 0.359 20 0 ACADHN CNC(=O)[C@@H]1CCCN1C1CC1 307685726 346182601 /nfs/dbraw/zinc/18/26/01/346182601.db2.gz ZQMVUMJYGZPYQF-QMMMGPOBSA-N 0 3 168.240 0.359 20 0 ACADHN CC[C@H](N)C(=O)Nc1nc(C)c[nH]1 307698755 346190987 /nfs/dbraw/zinc/19/09/87/346190987.db2.gz NIFFNPSZWISXQP-LURJTMIESA-N 0 3 182.227 0.394 20 0 ACADHN CC[C@@H](N)C(=O)Nc1nc(C)c[nH]1 307698756 346191058 /nfs/dbraw/zinc/19/10/58/346191058.db2.gz NIFFNPSZWISXQP-ZCFIWIBFSA-N 0 3 182.227 0.394 20 0 ACADHN C[C@@H](NC(N)=O)C1=CCN(C)CC1 307699177 346191230 /nfs/dbraw/zinc/19/12/30/346191230.db2.gz OCJQAYMXQAYWDY-SSDOTTSWSA-N 0 3 183.255 0.305 20 0 ACADHN C[C@H](NC(N)=O)C1=CCN(C)CC1 307699178 346191360 /nfs/dbraw/zinc/19/13/60/346191360.db2.gz OCJQAYMXQAYWDY-ZETCQYMHSA-N 0 3 183.255 0.305 20 0 ACADHN NCc1cncc(CO)c1 307700236 346191695 /nfs/dbraw/zinc/19/16/95/346191695.db2.gz QCRUNVFNWZYYPJ-UHFFFAOYSA-N 0 3 138.170 0.033 20 0 ACADHN C[C@H]1C[C@H](C)N(CC(=O)N(C)C)C1 307704934 346194241 /nfs/dbraw/zinc/19/42/41/346194241.db2.gz XNKFURWPJHYKIN-IUCAKERBSA-N 0 3 184.283 0.805 20 0 ACADHN C[C@H]1C[C@@H](C)CN1CC(=O)N(C)C 307704932 346194249 /nfs/dbraw/zinc/19/42/49/346194249.db2.gz XNKFURWPJHYKIN-BDAKNGLRSA-N 0 3 184.283 0.805 20 0 ACADHN C[C@H]1C[C@@H](C)N(CC(=O)N(C)C)C1 307704933 346194348 /nfs/dbraw/zinc/19/43/48/346194348.db2.gz XNKFURWPJHYKIN-DTWKUNHWSA-N 0 3 184.283 0.805 20 0 ACADHN CC(C)N1CC[C@](F)(CO)C1 307713632 346198761 /nfs/dbraw/zinc/19/87/61/346198761.db2.gz CDICMHZWWCBWQA-MRVPVSSYSA-N 0 3 161.220 0.801 20 0 ACADHN CC(C)N1CC[C@@](F)(CO)C1 307713633 346198800 /nfs/dbraw/zinc/19/88/00/346198800.db2.gz CDICMHZWWCBWQA-QMMMGPOBSA-N 0 3 161.220 0.801 20 0 ACADHN CC[C@H](C(N)=O)N1C[C@H]2[C@@H](C1)C2(C)C 307713672 346198958 /nfs/dbraw/zinc/19/89/58/346198958.db2.gz CHPDHXYEJFQPMW-HRDYMLBCSA-N 0 3 196.294 0.838 20 0 ACADHN CC[C@@H](C(N)=O)N1C[C@H]2[C@@H](C1)C2(C)C 307713675 346198979 /nfs/dbraw/zinc/19/89/79/346198979.db2.gz CHPDHXYEJFQPMW-YIZRAAEISA-N 0 3 196.294 0.838 20 0 ACADHN C[C@H](N)C(=O)Nc1cc(F)ccc1O 307715477 346199867 /nfs/dbraw/zinc/19/98/67/346199867.db2.gz GEPZACGAWBSEOW-YFKPBYRVSA-N 0 3 198.197 0.817 20 0 ACADHN CNC(=O)C1CCN(C2CC2)CC1 307717601 346200147 /nfs/dbraw/zinc/20/01/47/346200147.db2.gz JYOGKXMOKODWNN-UHFFFAOYSA-N 0 3 182.267 0.607 20 0 ACADHN NC(=O)CN1CCC2(CC1)CC2 307718543 346200739 /nfs/dbraw/zinc/20/07/39/346200739.db2.gz LNBNLTBNFFGDMB-UHFFFAOYSA-N 0 3 168.240 0.348 20 0 ACADHN CC[C@@H](O)CN1C[C@@H](C)OC[C@H]1C 307728031 346206209 /nfs/dbraw/zinc/20/62/09/346206209.db2.gz DUODQAKVLZMURH-OPRDCNLKSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H](O)CN1C[C@H](C)OC[C@H]1C 307728028 346206408 /nfs/dbraw/zinc/20/64/08/346206408.db2.gz DUODQAKVLZMURH-KXUCPTDWSA-N 0 3 187.283 0.867 20 0 ACADHN CN1CCC[C@@H]1Cn1ccc(N)n1 307729752 346207291 /nfs/dbraw/zinc/20/72/91/346207291.db2.gz HJPFHAABHQYILP-MRVPVSSYSA-N 0 3 180.255 0.560 20 0 ACADHN CN1CCC[C@H]1Cn1ccc(N)n1 307729758 346207571 /nfs/dbraw/zinc/20/75/71/346207571.db2.gz HJPFHAABHQYILP-QMMMGPOBSA-N 0 3 180.255 0.560 20 0 ACADHN C1COCC[C@]2(C1)COCCN2 307731846 346208525 /nfs/dbraw/zinc/20/85/25/346208525.db2.gz KQULVJFQBDGAHK-SECBINFHSA-N 0 3 171.240 0.546 20 0 ACADHN NC1(C(=O)N2C[C@H]3C[C@H]3C2)CCC1 307731833 346208587 /nfs/dbraw/zinc/20/85/87/346208587.db2.gz KPWRCHODBUJOIN-OCAPTIKFSA-N 0 3 180.251 0.346 20 0 ACADHN C1COCC[C@@]2(C1)COCCN2 307731847 346208849 /nfs/dbraw/zinc/20/88/49/346208849.db2.gz KQULVJFQBDGAHK-VIFPVBQESA-N 0 3 171.240 0.546 20 0 ACADHN CC[C@]1(C)CCN(CC(N)=O)C1 307737212 346211668 /nfs/dbraw/zinc/21/16/68/346211668.db2.gz UGWGUQWBNWOXAS-SECBINFHSA-N 0 3 170.256 0.594 20 0 ACADHN CC[C@@]1(C)CCN(CC(N)=O)C1 307737213 346211795 /nfs/dbraw/zinc/21/17/95/346211795.db2.gz UGWGUQWBNWOXAS-VIFPVBQESA-N 0 3 170.256 0.594 20 0 ACADHN CC(C)N(C)C(=O)[C@@H]1CCCN1C 307739877 346212727 /nfs/dbraw/zinc/21/27/27/346212727.db2.gz ZMSOAFQBEUXPNL-VIFPVBQESA-N 0 3 184.283 0.947 20 0 ACADHN CC(C)N(C)C(=O)[C@H]1CCCN1C 307739875 346212959 /nfs/dbraw/zinc/21/29/59/346212959.db2.gz ZMSOAFQBEUXPNL-SECBINFHSA-N 0 3 184.283 0.947 20 0 ACADHN C[C@H]1CCCN1CC(=O)NC1CC1 307742768 346213799 /nfs/dbraw/zinc/21/37/99/346213799.db2.gz KYWYAQDXAOEAAC-QMMMGPOBSA-N 0 3 182.267 0.749 20 0 ACADHN CNC(=O)CCN1CC[C@@](C)(F)C1 307744529 346214563 /nfs/dbraw/zinc/21/45/63/346214563.db2.gz PAPSHZPUYSAWIC-SECBINFHSA-N 0 3 188.246 0.556 20 0 ACADHN CNC(=O)CCN1CC[C@](C)(F)C1 307744530 346214673 /nfs/dbraw/zinc/21/46/73/346214673.db2.gz PAPSHZPUYSAWIC-VIFPVBQESA-N 0 3 188.246 0.556 20 0 ACADHN Cc1n[nH]cc1CN1CC[C@@H](O)C1 307748636 346218297 /nfs/dbraw/zinc/21/82/97/346218297.db2.gz CNTBOUOXVHUSMO-SECBINFHSA-N 0 3 181.239 0.285 20 0 ACADHN CNC(=O)CNC1CC2(CCC2)C1 307748324 346218436 /nfs/dbraw/zinc/21/84/36/346218436.db2.gz BIZAHPQZAXAIRH-UHFFFAOYSA-N 0 3 182.267 0.655 20 0 ACADHN C[C@@H](N[C@@H]1CC[C@H]1O)c1cnn(C)c1 307749600 346218830 /nfs/dbraw/zinc/21/88/30/346218830.db2.gz HGZGTZAHERVPOU-SZEHBUNVSA-N 0 3 195.266 0.594 20 0 ACADHN C[C@H]1CCN([C@@H](C)C(=O)N(C)C)C1 307749579 346218925 /nfs/dbraw/zinc/21/89/25/346218925.db2.gz HDZJTIAICGPRLF-IUCAKERBSA-N 0 3 184.283 0.805 20 0 ACADHN C[C@H]1CCN([C@H](C)C(=O)N(C)C)C1 307749578 346218948 /nfs/dbraw/zinc/21/89/48/346218948.db2.gz HDZJTIAICGPRLF-DTWKUNHWSA-N 0 3 184.283 0.805 20 0 ACADHN C[C@H](N[C@@H]1CC[C@H]1O)c1cnn(C)c1 307749599 346218980 /nfs/dbraw/zinc/21/89/80/346218980.db2.gz HGZGTZAHERVPOU-FXBDTBDDSA-N 0 3 195.266 0.594 20 0 ACADHN Cc1[nH]cnc1CC(=O)NC(C)C 307751161 346219992 /nfs/dbraw/zinc/21/99/92/346219992.db2.gz MXAQIARHZOJXGU-UHFFFAOYSA-N 0 3 181.239 0.785 20 0 ACADHN CC(C)NC(=O)CN1CC[C@H](C)C1 307754316 346223712 /nfs/dbraw/zinc/22/37/12/346223712.db2.gz YWSVOZUFTCJAFA-VIFPVBQESA-N 0 3 184.283 0.853 20 0 ACADHN CN(C[C@@H]1CCCO1)C1CC(O)C1 307755053 346223803 /nfs/dbraw/zinc/22/38/03/346223803.db2.gz CEYJOOYWLJLHKY-RTBKNWGFSA-N 0 3 185.267 0.621 20 0 ACADHN CC(C)NC(=O)CN1CC[C@@H](C)C1 307754315 346223860 /nfs/dbraw/zinc/22/38/60/346223860.db2.gz YWSVOZUFTCJAFA-SECBINFHSA-N 0 3 184.283 0.853 20 0 ACADHN CNC(=O)NCC1=CCN(C)CC1 307755466 346224432 /nfs/dbraw/zinc/22/44/32/346224432.db2.gz DPJVNKYHVDDOAB-UHFFFAOYSA-N 0 3 183.255 0.177 20 0 ACADHN CC[C@]1(C)CCN([C@@H](C)C(N)=O)C1 307757647 346225302 /nfs/dbraw/zinc/22/53/02/346225302.db2.gz LYLIERUWVOYKHR-WCBMZHEXSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@@]1(C)CCN([C@@H](C)C(N)=O)C1 307757648 346225435 /nfs/dbraw/zinc/22/54/35/346225435.db2.gz LYLIERUWVOYKHR-WPRPVWTQSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@@]1(C)CCN([C@H](C)C(N)=O)C1 307757646 346225475 /nfs/dbraw/zinc/22/54/75/346225475.db2.gz LYLIERUWVOYKHR-SCZZXKLOSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@]1(C)CCN([C@H](C)C(N)=O)C1 307757645 346225497 /nfs/dbraw/zinc/22/54/97/346225497.db2.gz LYLIERUWVOYKHR-PSASIEDQSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@H](C(N)=O)N1CC=C(C)CC1 307759611 346226445 /nfs/dbraw/zinc/22/64/45/346226445.db2.gz SJNLAROTNRZIRB-SECBINFHSA-N 0 3 182.267 0.902 20 0 ACADHN CCc1cccnc1NC(=O)CNC 307761046 346227899 /nfs/dbraw/zinc/22/78/99/346227899.db2.gz XZDKZAYEYCEWJF-UHFFFAOYSA-N 0 3 193.250 0.802 20 0 ACADHN CSC[C@H](O)CN(C)C1CC1 307869721 346231423 /nfs/dbraw/zinc/23/14/23/346231423.db2.gz KYAUMRHABSXWSF-MRVPVSSYSA-N 0 3 175.297 0.805 20 0 ACADHN CSC[C@@H](O)CN(C)C1CC1 307869722 346231484 /nfs/dbraw/zinc/23/14/84/346231484.db2.gz KYAUMRHABSXWSF-QMMMGPOBSA-N 0 3 175.297 0.805 20 0 ACADHN CCCN(CC)CC(=O)NC 307913695 346234791 /nfs/dbraw/zinc/23/47/91/346234791.db2.gz ZSOGTACCTAWTGV-UHFFFAOYSA-N 0 3 158.245 0.464 20 0 ACADHN CCSCCN1CCN(C)CC1 307927369 346235939 /nfs/dbraw/zinc/23/59/39/346235939.db2.gz QGWZCFACYAZHIX-UHFFFAOYSA-N 0 3 188.340 0.987 20 0 ACADHN CC(C)NC(=O)CN(C)C(C)C 307939893 346237778 /nfs/dbraw/zinc/23/77/78/346237778.db2.gz BFJRMNSWFJQEHV-UHFFFAOYSA-N 0 3 172.272 0.851 20 0 ACADHN CC[C@H](C)CN(C)CC(=O)NC 307942934 346238190 /nfs/dbraw/zinc/23/81/90/346238190.db2.gz DURBPALFDJHEGX-QMMMGPOBSA-N 0 3 172.272 0.710 20 0 ACADHN CC[C@@H](C)CN(C)CC(=O)NC 307942933 346238343 /nfs/dbraw/zinc/23/83/43/346238343.db2.gz DURBPALFDJHEGX-MRVPVSSYSA-N 0 3 172.272 0.710 20 0 ACADHN Cc1cc(CNC[C@H](C)O)n[nH]1 307949934 346239917 /nfs/dbraw/zinc/23/99/17/346239917.db2.gz NBRWMWSSUQDFGB-ZETCQYMHSA-N 0 3 169.228 0.189 20 0 ACADHN Cc1cc(CNC[C@H](C)O)[nH]n1 307949934 346239919 /nfs/dbraw/zinc/23/99/19/346239919.db2.gz NBRWMWSSUQDFGB-ZETCQYMHSA-N 0 3 169.228 0.189 20 0 ACADHN C[C@@H](C[S@@](C)=O)N(C)CCCO 307947974 346239978 /nfs/dbraw/zinc/23/99/78/346239978.db2.gz LRTBYYORQMVCLM-QPUJVOFHSA-N 0 3 193.312 0.068 20 0 ACADHN C[C@@H](C[S@](C)=O)N(C)CCCO 307947975 346239995 /nfs/dbraw/zinc/23/99/95/346239995.db2.gz LRTBYYORQMVCLM-UFBFGSQYSA-N 0 3 193.312 0.068 20 0 ACADHN C[C@H](C[S@](C)=O)N(C)CCCO 307947972 346240160 /nfs/dbraw/zinc/24/01/60/346240160.db2.gz LRTBYYORQMVCLM-PELKAZGASA-N 0 3 193.312 0.068 20 0 ACADHN C[C@H](C[S@@](C)=O)N(C)CCCO 307947973 346240183 /nfs/dbraw/zinc/24/01/83/346240183.db2.gz LRTBYYORQMVCLM-PRHODGIISA-N 0 3 193.312 0.068 20 0 ACADHN Cc1cc(CNC[C@@H](C)O)n[nH]1 307949932 346240393 /nfs/dbraw/zinc/24/03/93/346240393.db2.gz NBRWMWSSUQDFGB-SSDOTTSWSA-N 0 3 169.228 0.189 20 0 ACADHN Cc1cc(CNC[C@@H](C)O)[nH]n1 307949932 346240394 /nfs/dbraw/zinc/24/03/94/346240394.db2.gz NBRWMWSSUQDFGB-SSDOTTSWSA-N 0 3 169.228 0.189 20 0 ACADHN CC[C@H](CO)NCc1cn[nH]c1 307957636 346241513 /nfs/dbraw/zinc/24/15/13/346241513.db2.gz SLKNAKJMAXMUIN-MRVPVSSYSA-N 0 3 169.228 0.270 20 0 ACADHN CCNC(=O)CN(C)CC1CC1 307959170 346241560 /nfs/dbraw/zinc/24/15/60/346241560.db2.gz UQRBCTXOHVZEKH-UHFFFAOYSA-N 0 3 170.256 0.464 20 0 ACADHN CC[C@@H](CO)NCc1cn[nH]c1 307957637 346241645 /nfs/dbraw/zinc/24/16/45/346241645.db2.gz SLKNAKJMAXMUIN-QMMMGPOBSA-N 0 3 169.228 0.270 20 0 ACADHN CC(C)SCCNC(CO)CO 307972404 346244827 /nfs/dbraw/zinc/24/48/27/346244827.db2.gz YYSNDXAJKYDRCC-UHFFFAOYSA-N 0 3 193.312 0.071 20 0 ACADHN CCCN(C)CC(=O)N1CCC1 307972674 346245455 /nfs/dbraw/zinc/24/54/55/346245455.db2.gz IEJZKHPGEPUIGO-UHFFFAOYSA-N 0 3 170.256 0.561 20 0 ACADHN CN(C)C(=O)CN(C)C1CCC1 307974266 346245464 /nfs/dbraw/zinc/24/54/64/346245464.db2.gz JPXHVLJCCHJMEL-UHFFFAOYSA-N 0 3 170.256 0.559 20 0 ACADHN CCN(CC(=O)N(C)C)C(C)C 307973142 346245498 /nfs/dbraw/zinc/24/54/98/346245498.db2.gz IOKZCKCILUQXTG-UHFFFAOYSA-N 0 3 172.272 0.805 20 0 ACADHN CN(CC(=O)N(C)C)CC1CC1 307976558 346245923 /nfs/dbraw/zinc/24/59/23/346245923.db2.gz LQERHAGUOYMLOA-UHFFFAOYSA-N 0 3 170.256 0.416 20 0 ACADHN CC[C@H](C(=O)N1CCC1)N(C)C 307976004 346245933 /nfs/dbraw/zinc/24/59/33/346245933.db2.gz LBCGVDMAKCUQFQ-MRVPVSSYSA-N 0 3 170.256 0.559 20 0 ACADHN CCCCN(C)CCNC(N)=O 307995260 346248210 /nfs/dbraw/zinc/24/82/10/346248210.db2.gz BFGJDQVEKBWZDH-UHFFFAOYSA-N 0 3 173.260 0.387 20 0 ACADHN CCN(CC(=O)NC)C1CCC1 307997313 346248913 /nfs/dbraw/zinc/24/89/13/346248913.db2.gz XBQMVOUTTSDGPJ-UHFFFAOYSA-N 0 3 170.256 0.607 20 0 ACADHN COCCN(C)C[C@@H](O)CSC 308007254 346249891 /nfs/dbraw/zinc/24/98/91/346249891.db2.gz DTEXWYYCNQAFBX-MRVPVSSYSA-N 0 3 193.312 0.289 20 0 ACADHN COCCN(C)C[C@H](O)CSC 308007255 346250310 /nfs/dbraw/zinc/25/03/10/346250310.db2.gz DTEXWYYCNQAFBX-QMMMGPOBSA-N 0 3 193.312 0.289 20 0 ACADHN CC(C)[C@@H](C(=O)N(C)C)N(C)C 308032335 346251156 /nfs/dbraw/zinc/25/11/56/346251156.db2.gz JGAFORNBJKNLAO-QMMMGPOBSA-N 0 3 172.272 0.661 20 0 ACADHN CC(C)[C@H](C(=O)N(C)C)N(C)C 308032328 346251200 /nfs/dbraw/zinc/25/12/00/346251200.db2.gz JGAFORNBJKNLAO-MRVPVSSYSA-N 0 3 172.272 0.661 20 0 ACADHN CCNC(=O)CN(CC)C(C)C 308045097 346252359 /nfs/dbraw/zinc/25/23/59/346252359.db2.gz PCJBPFZNUYVZAB-UHFFFAOYSA-N 0 3 172.272 0.853 20 0 ACADHN CCN(CCO)C[C@@H](O)CSC 308057475 346252898 /nfs/dbraw/zinc/25/28/98/346252898.db2.gz VBEAEZWSAHMQTL-MRVPVSSYSA-N 0 3 193.312 0.025 20 0 ACADHN CCN(CCO)C[C@H](O)CSC 308057476 346253022 /nfs/dbraw/zinc/25/30/22/346253022.db2.gz VBEAEZWSAHMQTL-QMMMGPOBSA-N 0 3 193.312 0.025 20 0 ACADHN CNC(=O)CN(C)CC1CCC1 308068739 346253482 /nfs/dbraw/zinc/25/34/82/346253482.db2.gz ACJQYFIIIZTHDK-UHFFFAOYSA-N 0 3 170.256 0.464 20 0 ACADHN CSCCN(CCO)C[C@@H](C)O 308125700 346257679 /nfs/dbraw/zinc/25/76/79/346257679.db2.gz VIQAOERRYHKHRQ-MRVPVSSYSA-N 0 3 193.312 0.025 20 0 ACADHN CSCCN(CCO)C[C@H](C)O 308125708 346257719 /nfs/dbraw/zinc/25/77/19/346257719.db2.gz VIQAOERRYHKHRQ-QMMMGPOBSA-N 0 3 193.312 0.025 20 0 ACADHN CC(C)N(CC(N)=O)C[C@@H]1C[C@H]1C 308131359 346258221 /nfs/dbraw/zinc/25/82/21/346258221.db2.gz BCAVUYDVHYGMOM-BDAKNGLRSA-N 0 3 184.283 0.838 20 0 ACADHN CC(C)N(CC(N)=O)C[C@H]1C[C@H]1C 308131362 346258271 /nfs/dbraw/zinc/25/82/71/346258271.db2.gz BCAVUYDVHYGMOM-RKDXNWHRSA-N 0 3 184.283 0.838 20 0 ACADHN CC(C)N(CC(N)=O)C[C@H]1C[C@@H]1C 308131360 346258471 /nfs/dbraw/zinc/25/84/71/346258471.db2.gz BCAVUYDVHYGMOM-DTWKUNHWSA-N 0 3 184.283 0.838 20 0 ACADHN CCN(CC)[C@H](C)C(=O)NC1CC1 308134556 346258776 /nfs/dbraw/zinc/25/87/76/346258776.db2.gz HKPSEURCPFQTCC-MRVPVSSYSA-N 0 3 184.283 0.995 20 0 ACADHN CCN(CC)[C@@H](C)C(=O)NC1CC1 308134557 346259052 /nfs/dbraw/zinc/25/90/52/346259052.db2.gz HKPSEURCPFQTCC-QMMMGPOBSA-N 0 3 184.283 0.995 20 0 ACADHN CSC[C@@H](O)CN(C)C[C@@H](C)O 308140382 346259972 /nfs/dbraw/zinc/25/99/72/346259972.db2.gz GXWZEMMPVLUZED-SFYZADRCSA-N 0 3 193.312 0.023 20 0 ACADHN CCN(CC)CC(=O)NCC1CC1 308140437 346260001 /nfs/dbraw/zinc/26/00/01/346260001.db2.gz KTOYYAQHAJWZEZ-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CSC[C@H](O)CN(C)C[C@H](C)O 308140381 346260087 /nfs/dbraw/zinc/26/00/87/346260087.db2.gz GXWZEMMPVLUZED-JGVFFNPUSA-N 0 3 193.312 0.023 20 0 ACADHN CSC[C@@H](O)CN(C)C[C@H](C)O 308140383 346260222 /nfs/dbraw/zinc/26/02/22/346260222.db2.gz GXWZEMMPVLUZED-YUMQZZPRSA-N 0 3 193.312 0.023 20 0 ACADHN CSC[C@H](O)CN(C)C[C@@H](C)O 308140380 346260365 /nfs/dbraw/zinc/26/03/65/346260365.db2.gz GXWZEMMPVLUZED-HTQZYQBOSA-N 0 3 193.312 0.023 20 0 ACADHN CNC(=O)CN(C)CCC1CC1 308143065 346260773 /nfs/dbraw/zinc/26/07/73/346260773.db2.gz ILMVDVPNNJAXDJ-UHFFFAOYSA-N 0 3 170.256 0.464 20 0 ACADHN CSCCN1CCC[C@H]1C(N)=O 308145165 346260855 /nfs/dbraw/zinc/26/08/55/346260855.db2.gz JPBJKKFZAGRBOC-ZETCQYMHSA-N 0 3 188.296 0.299 20 0 ACADHN CSCCN1CCC[C@@H]1C(N)=O 308145160 346260914 /nfs/dbraw/zinc/26/09/14/346260914.db2.gz JPBJKKFZAGRBOC-SSDOTTSWSA-N 0 3 188.296 0.299 20 0 ACADHN CSC[C@H](O)CN1CC=CCC1 308148632 346261281 /nfs/dbraw/zinc/26/12/81/346261281.db2.gz LQCTTWGNPKILEZ-SECBINFHSA-N 0 3 187.308 0.972 20 0 ACADHN CSC[C@@H](O)CN1CC=CCC1 308148633 346261506 /nfs/dbraw/zinc/26/15/06/346261506.db2.gz LQCTTWGNPKILEZ-VIFPVBQESA-N 0 3 187.308 0.972 20 0 ACADHN CC(C)C[C@H]1CCCN1CC(N)=O 308158899 346263354 /nfs/dbraw/zinc/26/33/54/346263354.db2.gz TVTOKPJOGSHGCF-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN CC(C)[C@@H](C(=O)N1CCC1)N(C)C 308158947 346263391 /nfs/dbraw/zinc/26/33/91/346263391.db2.gz TZKVMVVPVKYEBM-VIFPVBQESA-N 0 3 184.283 0.805 20 0 ACADHN NC(=O)[C@@H](N)[C@@H]1C=CCCCCC1 308159719 346263561 /nfs/dbraw/zinc/26/35/61/346263561.db2.gz XLZOSZOVIHTESP-BDAKNGLRSA-N 0 3 182.267 0.936 20 0 ACADHN CC(C)C[C@@H]1CCCN1CC(N)=O 308158900 346263661 /nfs/dbraw/zinc/26/36/61/346263661.db2.gz TVTOKPJOGSHGCF-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN NC(=O)[C@H](N)[C@H]1C=CCCCCC1 308160108 346263899 /nfs/dbraw/zinc/26/38/99/346263899.db2.gz XLZOSZOVIHTESP-DTWKUNHWSA-N 0 3 182.267 0.936 20 0 ACADHN NC(=O)[C@@H](N)[C@H]1C=CCCCCC1 308160109 346263980 /nfs/dbraw/zinc/26/39/80/346263980.db2.gz XLZOSZOVIHTESP-IUCAKERBSA-N 0 3 182.267 0.936 20 0 ACADHN CC(C)[C@H](C)C(=O)NCCN(C)C 308161596 346264079 /nfs/dbraw/zinc/26/40/79/346264079.db2.gz VHQIERHQYNNXNE-VIFPVBQESA-N 0 3 186.299 0.956 20 0 ACADHN CC(C)[C@@H](C)C(=O)NCCN(C)C 308161595 346264102 /nfs/dbraw/zinc/26/41/02/346264102.db2.gz VHQIERHQYNNXNE-SECBINFHSA-N 0 3 186.299 0.956 20 0 ACADHN NC(=O)[C@H](N)[C@@H]1C=CCCCCC1 308160110 346264169 /nfs/dbraw/zinc/26/41/69/346264169.db2.gz XLZOSZOVIHTESP-RKDXNWHRSA-N 0 3 182.267 0.936 20 0 ACADHN CC(C)N(CC(N)=O)CC1CCC1 308166165 346264414 /nfs/dbraw/zinc/26/44/14/346264414.db2.gz XPYXGNKUJGUYCM-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN COC(=O)CCN1CC=CCC1 308163192 346264615 /nfs/dbraw/zinc/26/46/15/346264615.db2.gz SMGBBGGTGSPJKI-UHFFFAOYSA-N 0 3 169.224 0.811 20 0 ACADHN CCCN1CCC[C@@H]1C(=O)NCC 308169418 346265120 /nfs/dbraw/zinc/26/51/20/346265120.db2.gz AVDNMKGBAVFZJK-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CC(C)N(CCC1CC1)CC(N)=O 308168510 346265172 /nfs/dbraw/zinc/26/51/72/346265172.db2.gz YLKYGYPXERAOMN-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN CC(C)[C@H](C(=O)NC1CC1)N(C)C 308170132 346265265 /nfs/dbraw/zinc/26/52/65/346265265.db2.gz ZCQQLOZHNINHHN-SECBINFHSA-N 0 3 184.283 0.851 20 0 ACADHN CCCN1CCC[C@H]1C(=O)NCC 308169419 346265366 /nfs/dbraw/zinc/26/53/66/346265366.db2.gz AVDNMKGBAVFZJK-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CCN(C)C(=O)CN(C)CC1CC1 308171576 346265838 /nfs/dbraw/zinc/26/58/38/346265838.db2.gz BOFNXENKOUVGNT-UHFFFAOYSA-N 0 3 184.283 0.807 20 0 ACADHN CSC[C@H](O)CN(C)[C@H](C)CO 308171841 346265985 /nfs/dbraw/zinc/26/59/85/346265985.db2.gz XAOMUFFPFKPZRQ-HTQZYQBOSA-N 0 3 193.312 0.023 20 0 ACADHN CC(C)[C@@H](C(=O)NC1CC1)N(C)C 308170133 346266107 /nfs/dbraw/zinc/26/61/07/346266107.db2.gz ZCQQLOZHNINHHN-VIFPVBQESA-N 0 3 184.283 0.851 20 0 ACADHN CSC[C@@H](O)CN(C)[C@H](C)CO 308171845 346266168 /nfs/dbraw/zinc/26/61/68/346266168.db2.gz XAOMUFFPFKPZRQ-SFYZADRCSA-N 0 3 193.312 0.023 20 0 ACADHN CC(C)N(C)CC(=O)N1CC(F)C1 308170872 346266187 /nfs/dbraw/zinc/26/61/87/346266187.db2.gz ZOZDQJJZJQLPIP-UHFFFAOYSA-N 0 3 188.246 0.507 20 0 ACADHN O[C@H]1CCN(CCOCC2CC2)C1 308199250 346269070 /nfs/dbraw/zinc/26/90/70/346269070.db2.gz WHAWGHVCNROCFM-JTQLQIEISA-N 0 3 185.267 0.480 20 0 ACADHN O[C@@H]1CCN(CCOCC2CC2)C1 308199251 346269175 /nfs/dbraw/zinc/26/91/75/346269175.db2.gz WHAWGHVCNROCFM-SNVBAGLBSA-N 0 3 185.267 0.480 20 0 ACADHN CCCN(C)[C@@H](C)C(=O)NC1CC1 308213834 346270444 /nfs/dbraw/zinc/27/04/44/346270444.db2.gz HWKYJJDQAHHDQY-QMMMGPOBSA-N 0 3 184.283 0.995 20 0 ACADHN CCNC(=O)CCN(C)CCOC 308211132 346270523 /nfs/dbraw/zinc/27/05/23/346270523.db2.gz GPBAACOUBBMGEP-UHFFFAOYSA-N 0 3 188.271 0.091 20 0 ACADHN CCNC(=O)CN1CCC[C@@H]1CC 308217407 346271029 /nfs/dbraw/zinc/27/10/29/346271029.db2.gz JVQCSGIVERTPTK-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CCNC(=O)CN1CCC[C@H]1CC 308217403 346271047 /nfs/dbraw/zinc/27/10/47/346271047.db2.gz JVQCSGIVERTPTK-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CCNC(=O)CN(C)CC1CCC1 308232606 346272768 /nfs/dbraw/zinc/27/27/68/346272768.db2.gz PMVRMXBXJYYKTI-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CCN(C)C(=O)CN(C)C1CCC1 308232560 346273069 /nfs/dbraw/zinc/27/30/69/346273069.db2.gz PKNPTKAMKZYLJL-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN CCN(CC(=O)N(C)C)C1CCC1 308241309 346273669 /nfs/dbraw/zinc/27/36/69/346273669.db2.gz SWDXOFABPHKALP-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN CCN(CC)CC(=O)NC1CCC1 308243687 346273767 /nfs/dbraw/zinc/27/37/67/346273767.db2.gz TYFFLHICLYBISW-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CCN(CCC1CC1)CC(=O)NC 308244422 346274607 /nfs/dbraw/zinc/27/46/07/346274607.db2.gz UOCFTFOYNGHPJL-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CC[C@@H]1CCCN1CC(=O)N(C)C 308248703 346275482 /nfs/dbraw/zinc/27/54/82/346275482.db2.gz ZXLRMHKIGCKWAJ-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CC(C)NC(=O)CN(C)CC1CC1 308255520 346277517 /nfs/dbraw/zinc/27/75/17/346277517.db2.gz KIYMVKAIRUTPAK-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN COCCC(=O)NC[C@H](C)N(C)C 308257161 346277617 /nfs/dbraw/zinc/27/76/17/346277617.db2.gz KGBCPNRHMYNHDZ-QMMMGPOBSA-N 0 3 188.271 0.089 20 0 ACADHN COCCC(=O)NC[C@@H](C)N(C)C 308257159 346277626 /nfs/dbraw/zinc/27/76/26/346277626.db2.gz KGBCPNRHMYNHDZ-MRVPVSSYSA-N 0 3 188.271 0.089 20 0 ACADHN C[C@@H](C(=O)N(C)C)N(C)CC1CC1 308258326 346278032 /nfs/dbraw/zinc/27/80/32/346278032.db2.gz MDEMZLVEZUGEBP-QMMMGPOBSA-N 0 3 184.283 0.805 20 0 ACADHN C[C@H](C(=O)N(C)C)N(C)CC1CC1 308258325 346278041 /nfs/dbraw/zinc/27/80/41/346278041.db2.gz MDEMZLVEZUGEBP-MRVPVSSYSA-N 0 3 184.283 0.805 20 0 ACADHN COC(=O)CCN1C[C@@H](O)C[C@@H]1C 308273340 346279955 /nfs/dbraw/zinc/27/99/55/346279955.db2.gz UDFFVTJCSBSDDF-YUMQZZPRSA-N 0 3 187.239 0.005 20 0 ACADHN COC(=O)CCN1C[C@H](O)C[C@H]1C 308273334 346280039 /nfs/dbraw/zinc/28/00/39/346280039.db2.gz UDFFVTJCSBSDDF-HTQZYQBOSA-N 0 3 187.239 0.005 20 0 ACADHN COC(=O)CCN1C[C@@H](O)C[C@H]1C 308273338 346280140 /nfs/dbraw/zinc/28/01/40/346280140.db2.gz UDFFVTJCSBSDDF-SFYZADRCSA-N 0 3 187.239 0.005 20 0 ACADHN COC(=O)CCN1C[C@H](O)C[C@@H]1C 308273336 346280213 /nfs/dbraw/zinc/28/02/13/346280213.db2.gz UDFFVTJCSBSDDF-JGVFFNPUSA-N 0 3 187.239 0.005 20 0 ACADHN CCC(=O)NCCN1CC[C@H](C)C1 308286046 346281462 /nfs/dbraw/zinc/28/14/62/346281462.db2.gz DMQQBHMBQCSMPB-VIFPVBQESA-N 0 3 184.283 0.854 20 0 ACADHN CCC(=O)NCCN1CC[C@@H](C)C1 308286043 346281478 /nfs/dbraw/zinc/28/14/78/346281478.db2.gz DMQQBHMBQCSMPB-SECBINFHSA-N 0 3 184.283 0.854 20 0 ACADHN CC[C@@H](C)N(C)CC(=O)N1CCC1 308294271 346283463 /nfs/dbraw/zinc/28/34/63/346283463.db2.gz JDBIUDZJAKLIOD-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CC[C@H](C)N(C)CC(=O)N1CCC1 308294277 346283538 /nfs/dbraw/zinc/28/35/38/346283538.db2.gz JDBIUDZJAKLIOD-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN CC[C@H](C)N(C)CC(=O)NC1CC1 308321400 346288558 /nfs/dbraw/zinc/28/85/58/346288558.db2.gz YTAREOMOWUXGQC-QMMMGPOBSA-N 0 3 184.283 0.995 20 0 ACADHN CC[C@@H](C)N(C)CC(=O)NC1CC1 308321399 346288566 /nfs/dbraw/zinc/28/85/66/346288566.db2.gz YTAREOMOWUXGQC-MRVPVSSYSA-N 0 3 184.283 0.995 20 0 ACADHN CC/C=C/CCN1C[C@H](O)[C@@H](O)C1 308323270 346289314 /nfs/dbraw/zinc/28/93/14/346289314.db2.gz CWQUQEGGCGGRGE-OHINUGQQSA-N 0 3 185.267 0.380 20 0 ACADHN CC/C=C\CCN1C[C@H](O)[C@@H](O)C1 308323263 346289378 /nfs/dbraw/zinc/28/93/78/346289378.db2.gz CWQUQEGGCGGRGE-CMIOBCHKSA-N 0 3 185.267 0.380 20 0 ACADHN CC[C@H](C(=O)N1CCCC1)N(C)C 308326179 346289654 /nfs/dbraw/zinc/28/96/54/346289654.db2.gz FMZIGGDWLGBGKY-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CCN(C)C(=O)CN(C)C(C)C 308355345 346291607 /nfs/dbraw/zinc/29/16/07/346291607.db2.gz ARRFFWSWSRIDNE-UHFFFAOYSA-N 0 3 172.272 0.805 20 0 ACADHN CN(CC(N)=O)C(C1CC1)C1CC1 308375081 346294191 /nfs/dbraw/zinc/29/41/91/346294191.db2.gz RTZXIRBEUADZSY-UHFFFAOYSA-N 0 3 182.267 0.592 20 0 ACADHN CN(C)C(=O)CN(C)C1CCCC1 308387800 346295746 /nfs/dbraw/zinc/29/57/46/346295746.db2.gz YADLQXWNTSKVDP-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN COCCN(C)CCC(=O)N(C)C 308386403 346295935 /nfs/dbraw/zinc/29/59/35/346295935.db2.gz XFQXELSZYCKQRL-UHFFFAOYSA-N 0 3 188.271 0.043 20 0 ACADHN COCC(C)(C)NCc1cn[nH]c1 308393403 346296477 /nfs/dbraw/zinc/29/64/77/346296477.db2.gz CAPGYWYZYKNICI-UHFFFAOYSA-N 0 3 183.255 0.924 20 0 ACADHN NC(=O)[C@@H]1CCCN1CCCCF 308418103 346300236 /nfs/dbraw/zinc/30/02/36/346300236.db2.gz RLWLLKOJTVYSDK-QMMMGPOBSA-N 0 3 188.246 0.686 20 0 ACADHN CCCN(C)CC(=O)N(C)C1CC1 308419096 346300471 /nfs/dbraw/zinc/30/04/71/346300471.db2.gz OBQUTVHAJZYEMS-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN CCCN(CC(=O)NCC)C1CC1 308423254 346300843 /nfs/dbraw/zinc/30/08/43/346300843.db2.gz PNCYSSOUEFWEBR-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN OCCCN1CCN(C2CCC2)CC1 308423549 346300880 /nfs/dbraw/zinc/30/08/80/346300880.db2.gz PRCUHGBJMGNZKK-UHFFFAOYSA-N 0 3 198.310 0.539 20 0 ACADHN CN(C)CCNC(=O)CCC1CC1 308431598 346302486 /nfs/dbraw/zinc/30/24/86/346302486.db2.gz UEDDNLLCWWJLEE-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN COCCCCCN(C)CC(N)=O 308430048 346302777 /nfs/dbraw/zinc/30/27/77/346302777.db2.gz SVRJQQWGLMFGJX-UHFFFAOYSA-N 0 3 188.271 0.220 20 0 ACADHN CN(CC(=O)N1CCC1)CC1CC1 308432520 346302813 /nfs/dbraw/zinc/30/28/13/346302813.db2.gz UMSWCKYPPVWKSR-UHFFFAOYSA-N 0 3 182.267 0.561 20 0 ACADHN CCCNC(=O)CN1CCC[C@H]1C 308488882 346306630 /nfs/dbraw/zinc/30/66/30/346306630.db2.gz QHKCCMTWJVSRRA-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CCCNC(=O)CN1CCC[C@@H]1C 308488885 346306703 /nfs/dbraw/zinc/30/67/03/346306703.db2.gz QHKCCMTWJVSRRA-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CCCCN1CCC[C@@H]1C(=O)NC 308490057 346307152 /nfs/dbraw/zinc/30/71/52/346307152.db2.gz QVAUHDFMNFWIFQ-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CCCCN1CCC[C@H]1C(=O)NC 308490058 346307219 /nfs/dbraw/zinc/30/72/19/346307219.db2.gz QVAUHDFMNFWIFQ-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN COCCCN(C)CCNC(C)=O 308505180 346308903 /nfs/dbraw/zinc/30/89/03/346308903.db2.gz YVIYSCWNLNUSOQ-UHFFFAOYSA-N 0 3 188.271 0.091 20 0 ACADHN COC(=O)[C@@H]1CCC[C@@H]1NCCF 308506771 346309917 /nfs/dbraw/zinc/30/99/17/346309917.db2.gz ZNURLDVYLYZDCK-SFYZADRCSA-N 0 3 189.230 0.887 20 0 ACADHN CO[C@@H](C)CCNCc1ccn(C)n1 308566925 346312251 /nfs/dbraw/zinc/31/22/51/346312251.db2.gz AYMKNPNGWLKXKM-VIFPVBQESA-N 0 3 197.282 0.935 20 0 ACADHN CO[C@H](C)CCNCc1ccn(C)n1 308566924 346312279 /nfs/dbraw/zinc/31/22/79/346312279.db2.gz AYMKNPNGWLKXKM-SECBINFHSA-N 0 3 197.282 0.935 20 0 ACADHN COC(=O)CNC(C)(C)CN(C)C 308579336 346312719 /nfs/dbraw/zinc/31/27/19/346312719.db2.gz QUTMPZJBPWGVHH-UHFFFAOYSA-N 0 3 188.271 0.089 20 0 ACADHN CC[C@H](CO)NCc1cnc(C)nc1 308589577 346313499 /nfs/dbraw/zinc/31/34/99/346313499.db2.gz JTFHQDLRTPXGHN-SNVBAGLBSA-N 0 3 195.266 0.646 20 0 ACADHN CO[C@@H](C)CCNCc1cncn1C 308591836 346313709 /nfs/dbraw/zinc/31/37/09/346313709.db2.gz KQIWRMRNBBXBNU-VIFPVBQESA-N 0 3 197.282 0.935 20 0 ACADHN CO[C@H](C)CCNCc1cncn1C 308591829 346313843 /nfs/dbraw/zinc/31/38/43/346313843.db2.gz KQIWRMRNBBXBNU-SECBINFHSA-N 0 3 197.282 0.935 20 0 ACADHN CC[C@@H](CO)NCc1cnc(C)nc1 308589576 346313848 /nfs/dbraw/zinc/31/38/48/346313848.db2.gz JTFHQDLRTPXGHN-JTQLQIEISA-N 0 3 195.266 0.646 20 0 ACADHN Cc1ncc(CNC[C@@H](C)CO)cn1 308598471 346314548 /nfs/dbraw/zinc/31/45/48/346314548.db2.gz AEWRXPHYUWMHKK-MRVPVSSYSA-N 0 3 195.266 0.503 20 0 ACADHN Cc1ncc(CNC[C@H](C)CO)cn1 308598473 346314637 /nfs/dbraw/zinc/31/46/37/346314637.db2.gz AEWRXPHYUWMHKK-QMMMGPOBSA-N 0 3 195.266 0.503 20 0 ACADHN COCC(=O)NC(C)(C)CN(C)C 308620821 346315199 /nfs/dbraw/zinc/31/51/99/346315199.db2.gz WEPUQSYFNOFSSV-UHFFFAOYSA-N 0 3 188.271 0.089 20 0 ACADHN CO[C@@H](C)CCNCc1ccnn1C 308625903 346315891 /nfs/dbraw/zinc/31/58/91/346315891.db2.gz WBMJKKQOZHNANX-VIFPVBQESA-N 0 3 197.282 0.935 20 0 ACADHN CO[C@H](C)CCNCc1ccnn1C 308625902 346316110 /nfs/dbraw/zinc/31/61/10/346316110.db2.gz WBMJKKQOZHNANX-SECBINFHSA-N 0 3 197.282 0.935 20 0 ACADHN C[C@]1(CNCc2ncc[nH]2)CCOC1 308651264 346316600 /nfs/dbraw/zinc/31/66/00/346316600.db2.gz KOZQSQUYSVWINV-SNVBAGLBSA-N 0 3 195.266 0.926 20 0 ACADHN C[C@@]1(CNCc2cc[nH]n2)CCOC1 308643833 346316770 /nfs/dbraw/zinc/31/67/70/346316770.db2.gz GKONBCCMPJCIRH-JTQLQIEISA-N 0 3 195.266 0.926 20 0 ACADHN C[C@]1(CNCc2cc[nH]n2)CCOC1 308643834 346316803 /nfs/dbraw/zinc/31/68/03/346316803.db2.gz GKONBCCMPJCIRH-SNVBAGLBSA-N 0 3 195.266 0.926 20 0 ACADHN C[C@@]1(CNCc2ncc[nH]2)CCOC1 308651263 346317056 /nfs/dbraw/zinc/31/70/56/346317056.db2.gz KOZQSQUYSVWINV-JTQLQIEISA-N 0 3 195.266 0.926 20 0 ACADHN CC[C@H]1C[C@@H](C)CN1C(=O)CNC 334148001 346327711 /nfs/dbraw/zinc/32/77/11/346327711.db2.gz FMRVDKJFEOAJJJ-BDAKNGLRSA-N 0 3 184.283 0.853 20 0 ACADHN CC[C@H]1C[C@H](C)CN1C(=O)CNC 334148005 346327819 /nfs/dbraw/zinc/32/78/19/346327819.db2.gz FMRVDKJFEOAJJJ-IUCAKERBSA-N 0 3 184.283 0.853 20 0 ACADHN CC[C@@H]1C[C@H](C)CN1C(=O)CNC 334148003 346327896 /nfs/dbraw/zinc/32/78/96/346327896.db2.gz FMRVDKJFEOAJJJ-DTWKUNHWSA-N 0 3 184.283 0.853 20 0 ACADHN CC[C@@H]1C[C@@H](C)CN1C(=O)CNC 334148006 346328023 /nfs/dbraw/zinc/32/80/23/346328023.db2.gz FMRVDKJFEOAJJJ-RKDXNWHRSA-N 0 3 184.283 0.853 20 0 ACADHN CN(C1CCCC1)[C@@H]1CCNC1=O 334164469 346328560 /nfs/dbraw/zinc/32/85/60/346328560.db2.gz AENFVXIIIHFVKD-SECBINFHSA-N 0 3 182.267 0.749 20 0 ACADHN Cc1c(NC(=O)[C@@H]2C[C@@H]2N)cnn1C 334208772 346332171 /nfs/dbraw/zinc/33/21/71/346332171.db2.gz MFLUSPQMKJFZJO-RQJHMYQMSA-N 0 3 194.238 0.014 20 0 ACADHN C[C@H]1CN(C)CCN1C[C@H]1CCCO1 334204722 346332321 /nfs/dbraw/zinc/33/23/21/346332321.db2.gz SRKYPSUHHKOVFP-WDEREUQCSA-N 0 3 198.310 0.801 20 0 ACADHN C[C@H](C(N)=O)N1CC[C@](O)(C2CC2)C1 334215762 346332495 /nfs/dbraw/zinc/33/24/95/346332495.db2.gz UQZCAAARCOZBGA-GMSGAONNSA-N 0 3 198.266 0.757 20 0 ACADHN C[C@H](C(N)=O)N1CC[C@@](O)(C2CC2)C1 334215766 346332626 /nfs/dbraw/zinc/33/26/26/346332626.db2.gz UQZCAAARCOZBGA-XCBNKYQSSA-N 0 3 198.266 0.757 20 0 ACADHN CC1CC(NC(=O)[C@@H]2C[C@@H]2N)C1 334248691 346334203 /nfs/dbraw/zinc/33/42/03/346334203.db2.gz QTUDLBMJPSGEMO-CRYROECRSA-N 0 3 168.240 0.248 20 0 ACADHN CCCN1CCN2C(=O)CC[C@@H]2C1 334248445 346334513 /nfs/dbraw/zinc/33/45/13/346334513.db2.gz PXOLHIDWWXUZGS-SECBINFHSA-N 0 3 182.267 0.703 20 0 ACADHN CC1(C)CCN(C(=O)[C@@H]2C[C@@H]2N)C1 334246952 346334636 /nfs/dbraw/zinc/33/46/36/346334636.db2.gz JJOLWRSJMHJDPT-SFYZADRCSA-N 0 3 182.267 0.592 20 0 ACADHN CC1(C)CNC(=O)CN1CC1CCC1 334239065 346334685 /nfs/dbraw/zinc/33/46/85/346334685.db2.gz KMURLARPILWCCV-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CCCN1CCN2C(=O)CC[C@H]2C1 334248447 346334705 /nfs/dbraw/zinc/33/47/05/346334705.db2.gz PXOLHIDWWXUZGS-VIFPVBQESA-N 0 3 182.267 0.703 20 0 ACADHN CCC(=O)N1CC[C@H]2CCN(C)C[C@H]21 334249421 346335044 /nfs/dbraw/zinc/33/50/44/346335044.db2.gz VPYXZKQLHKTYGS-NXEZZACHSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@H]1CN(Cc2cnnn2C)C[C@@H]1C 334258018 346335055 /nfs/dbraw/zinc/33/50/55/346335055.db2.gz OGENHEPRFCYBJD-IUCAKERBSA-N 0 3 194.282 0.903 20 0 ACADHN CCC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 334249426 346335172 /nfs/dbraw/zinc/33/51/72/346335172.db2.gz VPYXZKQLHKTYGS-VHSXEESVSA-N 0 3 196.294 0.949 20 0 ACADHN Cc1cn[nH]c1CN1CCC[C@@H](O)C1 334250773 346335235 /nfs/dbraw/zinc/33/52/35/346335235.db2.gz KAEWCSBXZJPIPV-SECBINFHSA-N 0 3 195.266 0.675 20 0 ACADHN CCC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 334249428 346335251 /nfs/dbraw/zinc/33/52/51/346335251.db2.gz VPYXZKQLHKTYGS-ZJUUUORDSA-N 0 3 196.294 0.949 20 0 ACADHN CCC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 334249422 346335419 /nfs/dbraw/zinc/33/54/19/346335419.db2.gz VPYXZKQLHKTYGS-UWVGGRQHSA-N 0 3 196.294 0.949 20 0 ACADHN CNC(=O)NCCN1CCC(C)CC1 334258546 346335544 /nfs/dbraw/zinc/33/55/44/346335544.db2.gz SBJIQLOHMKNPOC-UHFFFAOYSA-N 0 3 199.298 0.647 20 0 ACADHN Cc1cn[nH]c1CN1CCC[C@H](O)C1 334250960 346335561 /nfs/dbraw/zinc/33/55/61/346335561.db2.gz KAEWCSBXZJPIPV-VIFPVBQESA-N 0 3 195.266 0.675 20 0 ACADHN CN1CCN(CC2CC2)C(C)(C)C1=O 334309769 346339903 /nfs/dbraw/zinc/33/99/03/346339903.db2.gz NQIKFMATNWNLPX-UHFFFAOYSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@H]1CCN([C@H](C)C(=O)NC2CC2)C1 334343515 346341408 /nfs/dbraw/zinc/34/14/08/346341408.db2.gz MHRHDXCZMCJOFD-DTWKUNHWSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1CCN([C@@H](C)C(=O)NC2CC2)C1 334343516 346341868 /nfs/dbraw/zinc/34/18/68/346341868.db2.gz MHRHDXCZMCJOFD-IUCAKERBSA-N 0 3 196.294 0.995 20 0 ACADHN CN([C@H]1CCNC1=O)[C@H]1C=CCCC1 334356813 346342498 /nfs/dbraw/zinc/34/24/98/346342498.db2.gz OETQYEDUYBHESK-UWVGGRQHSA-N 0 3 194.278 0.915 20 0 ACADHN CN([C@@H]1C=CCCC1)[C@@H]1CCNC1=O 334356812 346342532 /nfs/dbraw/zinc/34/25/32/346342532.db2.gz OETQYEDUYBHESK-NXEZZACHSA-N 0 3 194.278 0.915 20 0 ACADHN CN([C@H]1C=CCCC1)[C@@H]1CCNC1=O 334356814 346342640 /nfs/dbraw/zinc/34/26/40/346342640.db2.gz OETQYEDUYBHESK-VHSXEESVSA-N 0 3 194.278 0.915 20 0 ACADHN CN([C@@H]1C=CCCC1)[C@H]1CCNC1=O 334356815 346342905 /nfs/dbraw/zinc/34/29/05/346342905.db2.gz OETQYEDUYBHESK-ZJUUUORDSA-N 0 3 194.278 0.915 20 0 ACADHN CN(CC1CC1)C(=O)[C@@H]1CCCN1C 334370013 346343767 /nfs/dbraw/zinc/34/37/67/346343767.db2.gz VIAMVBFHBJMGKD-JTQLQIEISA-N 0 3 196.294 0.949 20 0 ACADHN CN(CC1CC1)C(=O)[C@H]1CCCN1C 334370014 346343924 /nfs/dbraw/zinc/34/39/24/346343924.db2.gz VIAMVBFHBJMGKD-SNVBAGLBSA-N 0 3 196.294 0.949 20 0 ACADHN CC[C@@H]1C(=O)NCCN1CC1CCC1 334388050 346344379 /nfs/dbraw/zinc/34/43/79/346344379.db2.gz QBPMJHLTHYLRSQ-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CC[C@H]1C(=O)NCCN1CC1CCC1 334388049 346344689 /nfs/dbraw/zinc/34/46/89/346344689.db2.gz QBPMJHLTHYLRSQ-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN CN1CCCN(Cc2ccno2)CC1 334404578 346345693 /nfs/dbraw/zinc/34/56/93/346345693.db2.gz IVGPBHKXHUIUEO-UHFFFAOYSA-N 0 3 195.266 0.812 20 0 ACADHN C[C@H]1CCN(CC(=O)N(C)C2CC2)C1 334398166 346345803 /nfs/dbraw/zinc/34/58/03/346345803.db2.gz LUESKWDOEBOETI-VIFPVBQESA-N 0 3 196.294 0.949 20 0 ACADHN CN1CCN(Cc2ccn(C)c2)CC1 334416983 346346631 /nfs/dbraw/zinc/34/66/31/346346631.db2.gz OEZYAGVITMABRT-UHFFFAOYSA-N 0 3 193.294 0.773 20 0 ACADHN CN(CC1CCC1)[C@@H]1CCCNC1=O 334467983 346348588 /nfs/dbraw/zinc/34/85/88/346348588.db2.gz FLSMYRUTZIWCAJ-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CC1CCN([C@H](C)CNC(N)=O)CC1 334462665 346348692 /nfs/dbraw/zinc/34/86/92/346348692.db2.gz YAIFFPKFEBYQPW-SECBINFHSA-N 0 3 199.298 0.775 20 0 ACADHN CN(CC1CCC1)[C@H]1CCCNC1=O 334467982 346349123 /nfs/dbraw/zinc/34/91/23/346349123.db2.gz FLSMYRUTZIWCAJ-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN CN1CC[C@H](N(C)CC2CCC2)C1=O 334477149 346349787 /nfs/dbraw/zinc/34/97/87/346349787.db2.gz PRSFYGYYOHKNBI-JTQLQIEISA-N 0 3 196.294 0.949 20 0 ACADHN CN1CC[C@@H](N(C)CC2CCC2)C1=O 334477150 346349939 /nfs/dbraw/zinc/34/99/39/346349939.db2.gz PRSFYGYYOHKNBI-SNVBAGLBSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@H]1CCCN([C@@H]2CCN(C)C2=O)C1 334481790 346349962 /nfs/dbraw/zinc/34/99/62/346349962.db2.gz WZPNTGQZALMPLO-VHSXEESVSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@H]1C[C@@H](C)CN1CC(=O)NC1CC1 334523266 346352332 /nfs/dbraw/zinc/35/23/32/346352332.db2.gz BYJTWHIOOLWYMR-BDAKNGLRSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1C[C@H](C)N(CC(=O)NC2CC2)C1 334523268 346352398 /nfs/dbraw/zinc/35/23/98/346352398.db2.gz BYJTWHIOOLWYMR-IUCAKERBSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1C[C@@H](C)N(CC(=O)NC2CC2)C1 334523267 346352431 /nfs/dbraw/zinc/35/24/31/346352431.db2.gz BYJTWHIOOLWYMR-DTWKUNHWSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1[C@@H](CO)CCN1Cc1c[nH]cn1 334540283 346353069 /nfs/dbraw/zinc/35/30/69/346353069.db2.gz JYRFRKRNRLPAQR-DTWKUNHWSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@H]1[C@@H](CO)CCN1Cc1cnc[nH]1 334540283 346353072 /nfs/dbraw/zinc/35/30/72/346353072.db2.gz JYRFRKRNRLPAQR-DTWKUNHWSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@H]1[C@H](CO)CCN1Cc1c[nH]cn1 334540284 346353130 /nfs/dbraw/zinc/35/31/30/346353130.db2.gz JYRFRKRNRLPAQR-IUCAKERBSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@H]1[C@H](CO)CCN1Cc1cnc[nH]1 334540284 346353133 /nfs/dbraw/zinc/35/31/33/346353133.db2.gz JYRFRKRNRLPAQR-IUCAKERBSA-N 0 3 195.266 0.612 20 0 ACADHN CC[C@]1(C)COCCN1C[C@H](C)O 334557520 346353969 /nfs/dbraw/zinc/35/39/69/346353969.db2.gz HSGRAWUXCMOYDZ-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@]1(C)COCCN1C[C@H](C)O 334557518 346354006 /nfs/dbraw/zinc/35/40/06/346354006.db2.gz HSGRAWUXCMOYDZ-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN C[C@H](O)CN1CCOCC2(CCC2)C1 334560447 346354114 /nfs/dbraw/zinc/35/41/14/346354114.db2.gz CVAWNDGQOHPXIP-JTQLQIEISA-N 0 3 199.294 0.870 20 0 ACADHN C[C@H](O)CN1CCOC(C)(C)[C@@H]1C 334556780 346354407 /nfs/dbraw/zinc/35/44/07/346354407.db2.gz VNOPGUWXBFQIER-IUCAKERBSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@H](O)CN1CCOC(C)(C)[C@H]1C 334556775 346354554 /nfs/dbraw/zinc/35/45/54/346354554.db2.gz VNOPGUWXBFQIER-DTWKUNHWSA-N 0 3 187.283 0.867 20 0 ACADHN CN(C)C(=O)CN1C[C@H]2[C@@H](C1)C2(C)C 334594785 346355742 /nfs/dbraw/zinc/35/57/42/346355742.db2.gz OWRFZVQMWPKUSF-DTORHVGOSA-N 0 3 196.294 0.662 20 0 ACADHN CNC(=O)N(C)[C@H]1CCN(C)C[C@@H]1C 334606352 346356238 /nfs/dbraw/zinc/35/62/38/346356238.db2.gz JLJGQRATTAAWBT-IUCAKERBSA-N 0 3 199.298 0.598 20 0 ACADHN CNC(=O)N(C)[C@H]1CCN(C)C[C@H]1C 334606350 346356354 /nfs/dbraw/zinc/35/63/54/346356354.db2.gz JLJGQRATTAAWBT-BDAKNGLRSA-N 0 3 199.298 0.598 20 0 ACADHN CNC(=O)N(C)[C@H]1CCN(C(C)C)C1 334609642 346356390 /nfs/dbraw/zinc/35/63/90/346356390.db2.gz SSVZWCJAJLMAIK-VIFPVBQESA-N 0 3 199.298 0.740 20 0 ACADHN CNC(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C 334606351 346356453 /nfs/dbraw/zinc/35/64/53/346356453.db2.gz JLJGQRATTAAWBT-DTWKUNHWSA-N 0 3 199.298 0.598 20 0 ACADHN CNC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C 334606353 346356459 /nfs/dbraw/zinc/35/64/59/346356459.db2.gz JLJGQRATTAAWBT-RKDXNWHRSA-N 0 3 199.298 0.598 20 0 ACADHN CNC(=O)N(C)[C@@H]1CCN(C(C)C)C1 334609640 346356608 /nfs/dbraw/zinc/35/66/08/346356608.db2.gz SSVZWCJAJLMAIK-SECBINFHSA-N 0 3 199.298 0.740 20 0 ACADHN CC(C)N(C)C(=O)N[C@H]1CCN(C)C1 334615075 346357093 /nfs/dbraw/zinc/35/70/93/346357093.db2.gz RNZOUXWOJJYYDQ-VIFPVBQESA-N 0 3 199.298 0.740 20 0 ACADHN CC1(C)CCN(CC(=O)N2CCC2)C1 334619055 346357127 /nfs/dbraw/zinc/35/71/27/346357127.db2.gz ZQVSASSHARTXEK-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN CC(C)N(C)C(=O)N[C@@H]1CCN(C)C1 334614859 346357479 /nfs/dbraw/zinc/35/74/79/346357479.db2.gz RNZOUXWOJJYYDQ-SECBINFHSA-N 0 3 199.298 0.740 20 0 ACADHN CNC(=O)CN(C)C1CC(C)(C)C1 334643491 346357769 /nfs/dbraw/zinc/35/77/69/346357769.db2.gz DIJKSNXZUBLILA-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN CNC(=O)CN1C[C@H]2CCCC[C@H]2C1 334629081 346358150 /nfs/dbraw/zinc/35/81/50/346358150.db2.gz RYKKUGWEWYWPMX-AOOOYVTPSA-N 0 3 196.294 0.854 20 0 ACADHN C[C@H](O)CN1CC[C@H](F)C1 334645528 346358690 /nfs/dbraw/zinc/35/86/90/346358690.db2.gz GYRVSGCIXQJPMP-BQBZGAKWSA-N 0 3 147.193 0.411 20 0 ACADHN CCCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 334670422 346359693 /nfs/dbraw/zinc/35/96/93/346359693.db2.gz OHAXKKPORMMVKV-VHSXEESVSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@H]1CCCN(CC(=O)N2CCC2)C1 334684774 346360453 /nfs/dbraw/zinc/36/04/53/346360453.db2.gz LACJFSHNLLLFJY-JTQLQIEISA-N 0 3 196.294 0.951 20 0 ACADHN CN(C)C(=O)CN1CCC2(CCC2)C1 334686505 346360747 /nfs/dbraw/zinc/36/07/47/346360747.db2.gz YCFGHLZLKQGNBT-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN C[C@H]1COCCN1C[C@@H]1CCOC1 334736918 346362819 /nfs/dbraw/zinc/36/28/19/346362819.db2.gz VPWUUTGSWVWRHA-UWVGGRQHSA-N 0 3 185.267 0.744 20 0 ACADHN CNC(=O)C1CN(C[C@H]2C[C@H]2C)C1 334779637 346364070 /nfs/dbraw/zinc/36/40/70/346364070.db2.gz AUGXHEDQGWNBOI-HTQZYQBOSA-N 0 3 182.267 0.320 20 0 ACADHN CNC(=O)C1CN(C[C@@H]2C[C@H]2C)C1 334779639 346364148 /nfs/dbraw/zinc/36/41/48/346364148.db2.gz AUGXHEDQGWNBOI-SFYZADRCSA-N 0 3 182.267 0.320 20 0 ACADHN CNC(=O)C1CN(C[C@H]2C[C@@H]2C)C1 334779638 346364178 /nfs/dbraw/zinc/36/41/78/346364178.db2.gz AUGXHEDQGWNBOI-JGVFFNPUSA-N 0 3 182.267 0.320 20 0 ACADHN CNC(=O)C1CN(C[C@@H]2C[C@@H]2C)C1 334779640 346364190 /nfs/dbraw/zinc/36/41/90/346364190.db2.gz AUGXHEDQGWNBOI-YUMQZZPRSA-N 0 3 182.267 0.320 20 0 ACADHN CNC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C 334858103 346367134 /nfs/dbraw/zinc/36/71/34/346367134.db2.gz VRFUWQBOLXZNQX-VXNVDRBHSA-N 0 3 197.282 0.398 20 0 ACADHN CC(C)[C@H]1CN(CC(N)=O)CCN1C 334851152 346367152 /nfs/dbraw/zinc/36/71/52/346367152.db2.gz SPZYFGDGEUIFTL-SECBINFHSA-N 0 3 199.298 0.794 20 0 ACADHN CNC(=O)N[C@H]1CN(C2CC2)C[C@H]1C 334858100 346367234 /nfs/dbraw/zinc/36/72/34/346367234.db2.gz VRFUWQBOLXZNQX-APPZFPTMSA-N 0 3 197.282 0.398 20 0 ACADHN CNC(=O)N[C@@H]1CN(C2CC2)C[C@@H]1C 334858102 346367294 /nfs/dbraw/zinc/36/72/94/346367294.db2.gz VRFUWQBOLXZNQX-IONNQARKSA-N 0 3 197.282 0.398 20 0 ACADHN CN1CCC(C(=O)N(C)C2CC2)CC1 334841159 346367435 /nfs/dbraw/zinc/36/74/35/346367435.db2.gz BWOAJTACGZUYHA-UHFFFAOYSA-N 0 3 196.294 0.949 20 0 ACADHN CNC(=O)N[C@H]1CN(C2CC2)C[C@@H]1C 334858101 346367499 /nfs/dbraw/zinc/36/74/99/346367499.db2.gz VRFUWQBOLXZNQX-CBAPKCEASA-N 0 3 197.282 0.398 20 0 ACADHN CC(C)[C@@H]1CN(CC(N)=O)CCN1C 334851154 346367540 /nfs/dbraw/zinc/36/75/40/346367540.db2.gz SPZYFGDGEUIFTL-VIFPVBQESA-N 0 3 199.298 0.794 20 0 ACADHN CC(C)N(C)C(=O)N1CCCNCC1 334972439 346372219 /nfs/dbraw/zinc/37/22/19/346372219.db2.gz LSLBHYISIZAILC-UHFFFAOYSA-N 0 3 199.298 0.742 20 0 ACADHN CC1(C)CN(CCO)[C@H]1[C@@H]1CCCO1 334987566 346372509 /nfs/dbraw/zinc/37/25/09/346372509.db2.gz DWGHLNSZTWDJAE-UWVGGRQHSA-N 0 3 199.294 0.868 20 0 ACADHN CC1(C)CN(CCO)[C@@H]1[C@@H]1CCCO1 334987567 346372618 /nfs/dbraw/zinc/37/26/18/346372618.db2.gz DWGHLNSZTWDJAE-VHSXEESVSA-N 0 3 199.294 0.868 20 0 ACADHN CC1(C)CN(CCO)[C@H]1[C@H]1CCCO1 334987568 346372817 /nfs/dbraw/zinc/37/28/17/346372817.db2.gz DWGHLNSZTWDJAE-ZJUUUORDSA-N 0 3 199.294 0.868 20 0 ACADHN CC1(C)CN(CCO)[C@@H]1[C@H]1CCCO1 334987565 346372928 /nfs/dbraw/zinc/37/29/28/346372928.db2.gz DWGHLNSZTWDJAE-NXEZZACHSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@H]1CCN(C(=O)CN)C[C@H](C)C1 335008438 346373412 /nfs/dbraw/zinc/37/34/12/346373412.db2.gz HPYZTOPTBJNXIR-DTWKUNHWSA-N 0 3 184.283 0.840 20 0 ACADHN CC1(C)CCCCN(C(=O)CN)C1 335004816 346373771 /nfs/dbraw/zinc/37/37/71/346373771.db2.gz RSCFLJISNXMNNJ-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN CN(C(=O)[C@@H](N)C1CCC1)C1CC1 335035224 346375187 /nfs/dbraw/zinc/37/51/87/346375187.db2.gz SBZRQJIDWNJSDX-VIFPVBQESA-N 0 3 182.267 0.735 20 0 ACADHN CC1=CCCN(CCn2cncn2)C1 335023132 346374491 /nfs/dbraw/zinc/37/44/91/346374491.db2.gz XOMUMVOZUKKCRY-UHFFFAOYSA-N 0 3 192.266 0.930 20 0 ACADHN C[C@H](N)C(=O)N1CCCC[C@@H](C)C1 335022042 346374800 /nfs/dbraw/zinc/37/48/00/346374800.db2.gz CPPLDFWYCMUFFH-BDAKNGLRSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H]1CCCCN(C(=O)[C@@H](C)N)C1 335022043 346374846 /nfs/dbraw/zinc/37/48/46/346374846.db2.gz CPPLDFWYCMUFFH-DTWKUNHWSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H]1CCCCN(C(=O)[C@H](C)N)C1 335022044 346374862 /nfs/dbraw/zinc/37/48/62/346374862.db2.gz CPPLDFWYCMUFFH-IUCAKERBSA-N 0 3 184.283 0.982 20 0 ACADHN CC1=CCCN([C@@H]2CCN(C)C2=O)C1 335025090 346375151 /nfs/dbraw/zinc/37/51/51/346375151.db2.gz IMFKGITUGJVBED-SNVBAGLBSA-N 0 3 194.278 0.869 20 0 ACADHN C[C@H]1CCN(C(=O)CN)CC1(C)C 335028493 346375476 /nfs/dbraw/zinc/37/54/76/346375476.db2.gz LODPICIULIPASK-QMMMGPOBSA-N 0 3 184.283 0.840 20 0 ACADHN CNCC(=O)N1CCCC[C@H](C)C1 335031696 346375497 /nfs/dbraw/zinc/37/54/97/346375497.db2.gz VOFPXOIIKDYVBI-VIFPVBQESA-N 0 3 184.283 0.854 20 0 ACADHN CN(C(=O)[C@H](N)C1CCC1)C1CC1 335035223 346375507 /nfs/dbraw/zinc/37/55/07/346375507.db2.gz SBZRQJIDWNJSDX-SECBINFHSA-N 0 3 182.267 0.735 20 0 ACADHN CC1=CCCN([C@H]2CCN(C)C2=O)C1 335025089 346375536 /nfs/dbraw/zinc/37/55/36/346375536.db2.gz IMFKGITUGJVBED-JTQLQIEISA-N 0 3 194.278 0.869 20 0 ACADHN CNCC(=O)N1CCCC[C@@H](C)C1 335031686 346375564 /nfs/dbraw/zinc/37/55/64/346375564.db2.gz VOFPXOIIKDYVBI-SECBINFHSA-N 0 3 184.283 0.854 20 0 ACADHN C[C@H]1CCCCN(C(=O)CN)C1 335025938 346375621 /nfs/dbraw/zinc/37/56/21/346375621.db2.gz VLQRDGQGLANPCH-QMMMGPOBSA-N 0 3 170.256 0.594 20 0 ACADHN CN1C[C@@H]2CCCN(C(N)=O)[C@@H]2C1 335072593 346376999 /nfs/dbraw/zinc/37/69/99/346376999.db2.gz DZVMSSAGIWPJFQ-JGVFFNPUSA-N 0 3 183.255 0.091 20 0 ACADHN CN(CC(F)F)C(=O)[C@@H]1C[C@@H]1N 335067350 346377111 /nfs/dbraw/zinc/37/71/11/346377111.db2.gz JKGYAIWFVZORGW-UHNVWZDZSA-N 0 3 178.182 0.057 20 0 ACADHN CNC(=O)N1CCC[C@H]2CN(C)C[C@H]21 335072150 346377150 /nfs/dbraw/zinc/37/71/50/346377150.db2.gz CCAYWJDDCLWTDC-DTWKUNHWSA-N 0 3 197.282 0.352 20 0 ACADHN CCC1CN(C(=O)[C@H]2CCCN2C)C1 335114648 346379338 /nfs/dbraw/zinc/37/93/38/346379338.db2.gz WROSFJGQHBJORC-SNVBAGLBSA-N 0 3 196.294 0.949 20 0 ACADHN CCC1CN(C(=O)[C@@H]2CCCN2C)C1 335114646 346379350 /nfs/dbraw/zinc/37/93/50/346379350.db2.gz WROSFJGQHBJORC-JTQLQIEISA-N 0 3 196.294 0.949 20 0 ACADHN CCC(=O)N1CCC[C@H]2CN(C)C[C@H]21 335112013 346379553 /nfs/dbraw/zinc/37/95/53/346379553.db2.gz BUUSPRDQHNCBMQ-VHSXEESVSA-N 0 3 196.294 0.949 20 0 ACADHN CNC(=O)CN1CCC[C@@H](C2CC2)C1 335126522 346380195 /nfs/dbraw/zinc/38/01/95/346380195.db2.gz MAFKCJZSJLDQLN-SNVBAGLBSA-N 0 3 196.294 0.854 20 0 ACADHN CNC(=O)CN1CCC[C@H](C2CC2)C1 335126521 346380262 /nfs/dbraw/zinc/38/02/62/346380262.db2.gz MAFKCJZSJLDQLN-JTQLQIEISA-N 0 3 196.294 0.854 20 0 ACADHN C[C@H]1C[C@H](C)N(CC(=O)N2CCC2)C1 335164480 346381999 /nfs/dbraw/zinc/38/19/99/346381999.db2.gz MHAFSYRGQIMQQE-UWVGGRQHSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@H]1C[C@@H](C)N(CC(=O)N2CCC2)C1 335164481 346382100 /nfs/dbraw/zinc/38/21/00/346382100.db2.gz MHAFSYRGQIMQQE-VHSXEESVSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@H]1C[C@@H](C)CN1CC(=O)N1CCC1 335164482 346382336 /nfs/dbraw/zinc/38/23/36/346382336.db2.gz MHAFSYRGQIMQQE-ZJUUUORDSA-N 0 3 196.294 0.949 20 0 ACADHN Cc1ncccc1NC(=O)[C@@H]1C[C@@H]1N 335281504 346385543 /nfs/dbraw/zinc/38/55/43/346385543.db2.gz OWDDZWLQTZCRSH-SFYZADRCSA-N 0 3 191.234 0.676 20 0 ACADHN CN(C)C(=O)CNC1CC2(CCC2)C1 335285488 346386497 /nfs/dbraw/zinc/38/64/97/346386497.db2.gz XVMXYLIQFUBOIA-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CC(C)N1CCN([C@@H]2CCOC2)CC1 335306595 346388405 /nfs/dbraw/zinc/38/84/05/346388405.db2.gz IKMLBVDSTBLKHD-LLVKDONJSA-N 0 3 198.310 0.801 20 0 ACADHN CC(C)N1CCN([C@H]2CCOC2)CC1 335306596 346388461 /nfs/dbraw/zinc/38/84/61/346388461.db2.gz IKMLBVDSTBLKHD-NSHDSACASA-N 0 3 198.310 0.801 20 0 ACADHN Cc1c[nH]c(NC(=O)C(C)(C)N)n1 335369716 346391851 /nfs/dbraw/zinc/39/18/51/346391851.db2.gz XCIOUVJKWXOKOD-UHFFFAOYSA-N 0 3 182.227 0.394 20 0 ACADHN Cc1c[nH]c(NC(=O)C2(N)CCC2)n1 335368486 346391949 /nfs/dbraw/zinc/39/19/49/346391949.db2.gz LSYBWJGACMSQGQ-UHFFFAOYSA-N 0 3 194.238 0.538 20 0 ACADHN Cc1c[nH]c(NC(=O)[C@H]2CCN2)n1 335368733 346392046 /nfs/dbraw/zinc/39/20/46/346392046.db2.gz NMCVNNQYUQGLGU-ZCFIWIBFSA-N 0 3 180.211 0.019 20 0 ACADHN CNCC(=O)N1CCc2ccncc21 335377263 346392843 /nfs/dbraw/zinc/39/28/43/346392843.db2.gz SZVJSMDFTDDKHE-UHFFFAOYSA-N 0 3 191.234 0.190 20 0 ACADHN C[C@H](N)C(=O)N1CCc2ccncc21 335373998 346392860 /nfs/dbraw/zinc/39/28/60/346392860.db2.gz FXPIWWZEYBEYLN-ZETCQYMHSA-N 0 3 191.234 0.318 20 0 ACADHN C[C@H](N)C(=O)Nc1nc(C2CC2)c[nH]1 335378012 346392964 /nfs/dbraw/zinc/39/29/64/346392964.db2.gz ABFXRRLSCUORNM-YFKPBYRVSA-N 0 3 194.238 0.573 20 0 ACADHN Cc1n[nH]cc1CN1CCC[C@H]1CO 335427373 346395966 /nfs/dbraw/zinc/39/59/66/346395966.db2.gz SRCCCHHFGRXJQP-JTQLQIEISA-N 0 3 195.266 0.675 20 0 ACADHN Cc1n[nH]cc1CN1CCC[C@@H]1CO 335427374 346395994 /nfs/dbraw/zinc/39/59/94/346395994.db2.gz SRCCCHHFGRXJQP-SNVBAGLBSA-N 0 3 195.266 0.675 20 0 ACADHN C[C@H]1C[C@@H](NCc2cncn2C)CO1 335426027 346396023 /nfs/dbraw/zinc/39/60/23/346396023.db2.gz PJLQNBVWLVSCKN-DTWKUNHWSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@H]1C[C@H](NCc2cncn2C)CO1 335426028 346396040 /nfs/dbraw/zinc/39/60/40/346396040.db2.gz PJLQNBVWLVSCKN-IUCAKERBSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@H]1C[C@@H](NC(=O)C2(N)CCC2)CO1 335437691 346396649 /nfs/dbraw/zinc/39/66/49/346396649.db2.gz GXAFFBICRVVMAH-JGVFFNPUSA-N 0 3 198.266 0.161 20 0 ACADHN C[C@H]1C[C@H](NC(=O)C(C)(C)N)CO1 335438306 346396712 /nfs/dbraw/zinc/39/67/12/346396712.db2.gz LHFSBQFPFCDYBI-BQBZGAKWSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H]1C[C@H](NC(=O)C2(N)CCC2)CO1 335437695 346396889 /nfs/dbraw/zinc/39/68/89/346396889.db2.gz GXAFFBICRVVMAH-YUMQZZPRSA-N 0 3 198.266 0.161 20 0 ACADHN CN(C)C1CN(c2ccc(F)cn2)C1 335433179 346396945 /nfs/dbraw/zinc/39/69/45/346396945.db2.gz VSMGSGIYHSNPLZ-UHFFFAOYSA-N 0 3 195.241 0.971 20 0 ACADHN CN(CC(=O)N1CCC1)C(C)(C)C 335456534 346398730 /nfs/dbraw/zinc/39/87/30/346398730.db2.gz SUAPJIARGIUSNH-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN CC[C@@]1(C)COCCN1C[C@@H](C)O 335530877 346403235 /nfs/dbraw/zinc/40/32/35/346403235.db2.gz HSGRAWUXCMOYDZ-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@]1(C)COCCN1C[C@@H](C)O 335530876 346403455 /nfs/dbraw/zinc/40/34/55/346403455.db2.gz HSGRAWUXCMOYDZ-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN CC1(C)CN(C[C@H]2C[C@@H](O)C2)CCO1 335542499 346404032 /nfs/dbraw/zinc/40/40/32/346404032.db2.gz GAJAOWWYFKYDLM-AOOOYVTPSA-N 0 3 199.294 0.868 20 0 ACADHN CC[C@H](N)C(=O)N(C)[C@@H]1CC1(C)C 335563800 346404837 /nfs/dbraw/zinc/40/48/37/346404837.db2.gz PZKDBSSRVJRYCI-JGVFFNPUSA-N 0 3 184.283 0.981 20 0 ACADHN CNCC(=O)N(C)[C@H]1CC1(C)C 335562021 346404858 /nfs/dbraw/zinc/40/48/58/346404858.db2.gz HUYVYSFTIZWHFG-ZETCQYMHSA-N 0 3 170.256 0.463 20 0 ACADHN C[C@H](N)C(=O)N(C)[C@@H]1CC1(C)C 335561968 346404894 /nfs/dbraw/zinc/40/48/94/346404894.db2.gz GVGWPOYKRNCIQY-NKWVEPMBSA-N 0 3 170.256 0.591 20 0 ACADHN C[C@H](N)C(=O)N(C)[C@H]1CC1(C)C 335561967 346404969 /nfs/dbraw/zinc/40/49/69/346404969.db2.gz GVGWPOYKRNCIQY-BQBZGAKWSA-N 0 3 170.256 0.591 20 0 ACADHN CN(C(=O)CN)[C@H]1CC1(C)C 335564374 346405055 /nfs/dbraw/zinc/40/50/55/346405055.db2.gz RCSUCXAXELKBLM-LURJTMIESA-N 0 3 156.229 0.202 20 0 ACADHN CN(C(=O)CN)[C@@H]1CC1(C)C 335564375 346405064 /nfs/dbraw/zinc/40/50/64/346405064.db2.gz RCSUCXAXELKBLM-ZCFIWIBFSA-N 0 3 156.229 0.202 20 0 ACADHN CN(C(=O)C1(N)CC1)[C@H]1CC1(C)C 335562656 346405109 /nfs/dbraw/zinc/40/51/09/346405109.db2.gz JUHSTOKCECKCSG-ZETCQYMHSA-N 0 3 182.267 0.735 20 0 ACADHN CNCC(=O)N(C)[C@@H]1CC1(C)C 335562020 346405265 /nfs/dbraw/zinc/40/52/65/346405265.db2.gz HUYVYSFTIZWHFG-SSDOTTSWSA-N 0 3 170.256 0.463 20 0 ACADHN CC(C)N(C)CC(=O)N1CCC1 335569635 346405689 /nfs/dbraw/zinc/40/56/89/346405689.db2.gz HTOYGDQYMHJVJH-UHFFFAOYSA-N 0 3 170.256 0.559 20 0 ACADHN CC[C@H](C(=O)N1CC(F)C1)N(C)C 335574515 346406392 /nfs/dbraw/zinc/40/63/92/346406392.db2.gz YFNJQAHZUPHOPS-MRVPVSSYSA-N 0 3 188.246 0.507 20 0 ACADHN CCCN1CCSC[C@@H]1CO 335584092 346406988 /nfs/dbraw/zinc/40/69/88/346406988.db2.gz GTKOTBCDDLMARY-QMMMGPOBSA-N 0 3 175.297 0.806 20 0 ACADHN CCCN1CCSC[C@H]1CO 335584090 346407226 /nfs/dbraw/zinc/40/72/26/346407226.db2.gz GTKOTBCDDLMARY-MRVPVSSYSA-N 0 3 175.297 0.806 20 0 ACADHN CNCC(=O)N[C@H]1CCC[C@H](F)C1 335590635 346407593 /nfs/dbraw/zinc/40/75/93/346407593.db2.gz GYIGUEBYZIKLHG-YUMQZZPRSA-N 0 3 188.246 0.603 20 0 ACADHN CC(C)N(C)C(=O)[C@@H](N)C1CCC1 335595097 346407646 /nfs/dbraw/zinc/40/76/46/346407646.db2.gz OAUUPSAWCVLCSU-VIFPVBQESA-N 0 3 184.283 0.981 20 0 ACADHN CC(C)N(C)C(=O)[C@H](N)C1CCC1 335595096 346407812 /nfs/dbraw/zinc/40/78/12/346407812.db2.gz OAUUPSAWCVLCSU-SECBINFHSA-N 0 3 184.283 0.981 20 0 ACADHN CNCC(=O)N[C@@H]1CCC[C@H](F)C1 335590632 346407846 /nfs/dbraw/zinc/40/78/46/346407846.db2.gz GYIGUEBYZIKLHG-JGVFFNPUSA-N 0 3 188.246 0.603 20 0 ACADHN CNCC(=O)N[C@@H]1CCC[C@@H](F)C1 335590630 346407850 /nfs/dbraw/zinc/40/78/50/346407850.db2.gz GYIGUEBYZIKLHG-HTQZYQBOSA-N 0 3 188.246 0.603 20 0 ACADHN CNCC(=O)N[C@H]1CCC[C@@H](F)C1 335590633 346407860 /nfs/dbraw/zinc/40/78/60/346407860.db2.gz GYIGUEBYZIKLHG-SFYZADRCSA-N 0 3 188.246 0.603 20 0 ACADHN Cc1ccc(CN(C)C(=O)CN)s1 335602607 346408527 /nfs/dbraw/zinc/40/85/27/346408527.db2.gz RXADBISIIAYBFP-UHFFFAOYSA-N 0 3 198.291 0.974 20 0 ACADHN C[C@H](N)C(=O)N(C)[C@@H](C)C1(C)CC1 335608310 346409089 /nfs/dbraw/zinc/40/90/89/346409089.db2.gz WRGZAFZPLKIOFT-YUMQZZPRSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H](N)C(=O)N(C)[C@H](C)C1(C)CC1 335608305 346409205 /nfs/dbraw/zinc/40/92/05/346409205.db2.gz WRGZAFZPLKIOFT-JGVFFNPUSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H](N(C)C(=O)[C@@H](C)N)C1(C)CC1 335608308 346409230 /nfs/dbraw/zinc/40/92/30/346409230.db2.gz WRGZAFZPLKIOFT-SFYZADRCSA-N 0 3 184.283 0.981 20 0 ACADHN CN(C(=O)[C@@H]1C[C@@H]1N)C(C)(C)C 335628149 346409808 /nfs/dbraw/zinc/40/98/08/346409808.db2.gz NOCRQJKIVKYNJF-RQJHMYQMSA-N 0 3 170.256 0.591 20 0 ACADHN CC[C@]1(C)CCN(C(=O)CNC)C1 335623971 346409845 /nfs/dbraw/zinc/40/98/45/346409845.db2.gz XPQUIVJGZLWXEG-SNVBAGLBSA-N 0 3 184.283 0.854 20 0 ACADHN CC[C@@]1(C)CCN(C(=O)CNC)C1 335623968 346409859 /nfs/dbraw/zinc/40/98/59/346409859.db2.gz XPQUIVJGZLWXEG-JTQLQIEISA-N 0 3 184.283 0.854 20 0 ACADHN Cc1cc(CNC(=O)CN)cc(C)n1 335631626 346410756 /nfs/dbraw/zinc/41/07/56/346410756.db2.gz PAVDLQKUJIKJDS-UHFFFAOYSA-N 0 3 193.250 0.273 20 0 ACADHN C[C@H]1C[C@H](NCc2cnn(C)c2)CO1 335656561 346411115 /nfs/dbraw/zinc/41/11/15/346411115.db2.gz NEYRRTTUDZOUNY-WPRPVWTQSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@H]1C[C@@H](NCc2cnn(C)c2)CO1 335656560 346411128 /nfs/dbraw/zinc/41/11/28/346411128.db2.gz NEYRRTTUDZOUNY-WCBMZHEXSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@H]1CCN(C(=O)[C@H](C)NC2CC2)C1 335657215 346411232 /nfs/dbraw/zinc/41/12/32/346411232.db2.gz OPFVCEOEDSFTCP-IUCAKERBSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1C[C@H](NCc2ccnn2C)CO1 335655773 346411261 /nfs/dbraw/zinc/41/12/61/346411261.db2.gz HJRCMQTYCTUCPM-IUCAKERBSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@H](NC1CC1)C(=O)N1CC[C@@H](C)C1 335657213 346411506 /nfs/dbraw/zinc/41/15/06/346411506.db2.gz OPFVCEOEDSFTCP-BDAKNGLRSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1C[C@@H](NCc2ccnn2C)CO1 335655772 346411535 /nfs/dbraw/zinc/41/15/35/346411535.db2.gz HJRCMQTYCTUCPM-DTWKUNHWSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@H]1CCN(C(=O)[C@@H](C)NC2CC2)C1 335657214 346411628 /nfs/dbraw/zinc/41/16/28/346411628.db2.gz OPFVCEOEDSFTCP-DTWKUNHWSA-N 0 3 196.294 0.995 20 0 ACADHN Cc1n[nH]cc1CN[C@H]1CO[C@@H](C)C1 335658519 346411983 /nfs/dbraw/zinc/41/19/83/346411983.db2.gz ZEAISFFCFBYDOK-OIBJUYFYSA-N 0 3 195.266 0.985 20 0 ACADHN Cc1n[nH]cc1CN[C@@H]1CO[C@H](C)C1 335658520 346412000 /nfs/dbraw/zinc/41/20/00/346412000.db2.gz ZEAISFFCFBYDOK-XCBNKYQSSA-N 0 3 195.266 0.985 20 0 ACADHN Cc1n[nH]cc1CN[C@@H]1CO[C@@H](C)C1 335658521 346412173 /nfs/dbraw/zinc/41/21/73/346412173.db2.gz ZEAISFFCFBYDOK-XVKPBYJWSA-N 0 3 195.266 0.985 20 0 ACADHN Cc1n[nH]cc1CN[C@H]1CO[C@H](C)C1 335658518 346412189 /nfs/dbraw/zinc/41/21/89/346412189.db2.gz ZEAISFFCFBYDOK-GMSGAONNSA-N 0 3 195.266 0.985 20 0 ACADHN Cc1cc(N)cc(CNC(=O)CN)c1 335662209 346412238 /nfs/dbraw/zinc/41/22/38/346412238.db2.gz GUYFZIBQWFFARO-UHFFFAOYSA-N 0 3 193.250 0.152 20 0 ACADHN Cc1n[nH]cc1CN1C[C@H](O)C[C@H]1C 335679632 346412852 /nfs/dbraw/zinc/41/28/52/346412852.db2.gz JSCFOHIXQFZQPQ-GMSGAONNSA-N 0 3 195.266 0.673 20 0 ACADHN C[C@H](N(C)C(=O)CN)C1(C)CC1 335671629 346413198 /nfs/dbraw/zinc/41/31/98/346413198.db2.gz JWXFWXBNWFJDDD-ZETCQYMHSA-N 0 3 170.256 0.592 20 0 ACADHN Cc1n[nH]cc1CN1C[C@@H](O)C[C@H]1C 335679634 346413573 /nfs/dbraw/zinc/41/35/73/346413573.db2.gz JSCFOHIXQFZQPQ-XCBNKYQSSA-N 0 3 195.266 0.673 20 0 ACADHN Cc1n[nH]cc1CN1C[C@@H](O)C[C@@H]1C 335679635 346413851 /nfs/dbraw/zinc/41/38/51/346413851.db2.gz JSCFOHIXQFZQPQ-XVKPBYJWSA-N 0 3 195.266 0.673 20 0 ACADHN Cc1n[nH]cc1CN1C[C@H](O)C[C@@H]1C 335679633 346413897 /nfs/dbraw/zinc/41/38/97/346413897.db2.gz JSCFOHIXQFZQPQ-OIBJUYFYSA-N 0 3 195.266 0.673 20 0 ACADHN CC[C@@]1(O)CCN(Cc2cnc[nH]2)C1 335715930 346415429 /nfs/dbraw/zinc/41/54/29/346415429.db2.gz DBNYSKIZPAGWJM-SNVBAGLBSA-N 0 3 195.266 0.757 20 0 ACADHN CC[C@]1(O)CCN(Cc2cnc[nH]2)C1 335715928 346415464 /nfs/dbraw/zinc/41/54/64/346415464.db2.gz DBNYSKIZPAGWJM-JTQLQIEISA-N 0 3 195.266 0.757 20 0 ACADHN CC1(C)CN(Cc2cnc[nH]2)C[C@H]1O 335741009 346417012 /nfs/dbraw/zinc/41/70/12/346417012.db2.gz UXAFIIASRSJAMO-SECBINFHSA-N 0 3 195.266 0.612 20 0 ACADHN CC1(C)CN(Cc2cnc[nH]2)C[C@@H]1O 335741010 346417021 /nfs/dbraw/zinc/41/70/21/346417021.db2.gz UXAFIIASRSJAMO-VIFPVBQESA-N 0 3 195.266 0.612 20 0 ACADHN C[C@H]1C[C@H]1CN1CCNC(=O)C1(C)C 335733279 346417120 /nfs/dbraw/zinc/41/71/20/346417120.db2.gz SUEFMCKCHCOWJO-IUCAKERBSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@H]1C[C@@H]1CN1CCNC(=O)C1(C)C 335733278 346417254 /nfs/dbraw/zinc/41/72/54/346417254.db2.gz SUEFMCKCHCOWJO-DTWKUNHWSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@H]1C(=O)NCCCN1CCC1CC1 335760030 346418872 /nfs/dbraw/zinc/41/88/72/346418872.db2.gz GZMGYVURNQOKNJ-VIFPVBQESA-N 0 3 196.294 0.997 20 0 ACADHN CN(C(=O)CN1CCCC1)C1CC1 335777144 346419446 /nfs/dbraw/zinc/41/94/46/346419446.db2.gz JJGWYFKBBHPNTM-UHFFFAOYSA-N 0 3 182.267 0.703 20 0 ACADHN CC[C@H]1CCN(CC(=O)N2CCC2)C1 335794527 346420135 /nfs/dbraw/zinc/42/01/35/346420135.db2.gz GXFMMYYSOMPLET-JTQLQIEISA-N 0 3 196.294 0.951 20 0 ACADHN CNC(=O)[C@@H]1CCCCN1CC1CC1 335808626 346420772 /nfs/dbraw/zinc/42/07/72/346420772.db2.gz IHIVCCUVQQEGGS-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN CNC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 335808817 346420820 /nfs/dbraw/zinc/42/08/20/346420820.db2.gz HOOURJCWKNGENI-SFYZADRCSA-N 0 3 197.282 0.541 20 0 ACADHN CNC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 335808816 346420836 /nfs/dbraw/zinc/42/08/36/346420836.db2.gz HOOURJCWKNGENI-JGVFFNPUSA-N 0 3 197.282 0.541 20 0 ACADHN CNC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 335808818 346421131 /nfs/dbraw/zinc/42/11/31/346421131.db2.gz HOOURJCWKNGENI-YUMQZZPRSA-N 0 3 197.282 0.541 20 0 ACADHN C[C@H]1CN(CC(=O)NC2CC2)C[C@@H]1C 335824727 346421913 /nfs/dbraw/zinc/42/19/13/346421913.db2.gz UDIBWEWOBPQWHC-IUCAKERBSA-N 0 3 196.294 0.853 20 0 ACADHN CN(C)C(=O)CN1CC[C@H]2CCC[C@H]21 335845766 346423179 /nfs/dbraw/zinc/42/31/79/346423179.db2.gz VAAXKSPFKPZUIG-NXEZZACHSA-N 0 3 196.294 0.949 20 0 ACADHN CN(C)C(=O)CN1CC[C@H]2CCC[C@@H]21 335845769 346423221 /nfs/dbraw/zinc/42/32/21/346423221.db2.gz VAAXKSPFKPZUIG-ZJUUUORDSA-N 0 3 196.294 0.949 20 0 ACADHN CN(C)C(=O)CN1CC[C@@H]2CCC[C@@H]21 335845767 346423248 /nfs/dbraw/zinc/42/32/48/346423248.db2.gz VAAXKSPFKPZUIG-UWVGGRQHSA-N 0 3 196.294 0.949 20 0 ACADHN Cc1n[nH]cc1CN1CC[C@@](C)(O)C1 335853592 346423940 /nfs/dbraw/zinc/42/39/40/346423940.db2.gz FJTKHCBQUJWRAT-SNVBAGLBSA-N 0 3 195.266 0.675 20 0 ACADHN C[C@H]1CCN(CC(=O)NC2CC2)[C@@H]1C 335854278 346424028 /nfs/dbraw/zinc/42/40/28/346424028.db2.gz DPLPBLMIMBRZCI-DTWKUNHWSA-N 0 3 196.294 0.995 20 0 ACADHN Cc1n[nH]cc1CN1CC[C@](C)(O)C1 335853591 346424258 /nfs/dbraw/zinc/42/42/58/346424258.db2.gz FJTKHCBQUJWRAT-JTQLQIEISA-N 0 3 195.266 0.675 20 0 ACADHN C[C@H]1CCN(CC(=O)NC2CC2)[C@H]1C 335854279 346424315 /nfs/dbraw/zinc/42/43/15/346424315.db2.gz DPLPBLMIMBRZCI-IUCAKERBSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1[C@H](C)CCN1CC(=O)NC1CC1 335854277 346424349 /nfs/dbraw/zinc/42/43/49/346424349.db2.gz DPLPBLMIMBRZCI-BDAKNGLRSA-N 0 3 196.294 0.995 20 0 ACADHN CNC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 335867742 346424810 /nfs/dbraw/zinc/42/48/10/346424810.db2.gz DTWOMASKZZQHBU-BDAKNGLRSA-N 0 3 197.282 0.352 20 0 ACADHN Cc1ccncc1CN1CC[C@@H](O)C1 335872938 346424895 /nfs/dbraw/zinc/42/48/95/346424895.db2.gz PGWHCOCOIFPYPB-LLVKDONJSA-N 0 3 192.262 0.957 20 0 ACADHN CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 335867743 346424945 /nfs/dbraw/zinc/42/49/45/346424945.db2.gz DTWOMASKZZQHBU-DTWKUNHWSA-N 0 3 197.282 0.352 20 0 ACADHN CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 335867744 346424971 /nfs/dbraw/zinc/42/49/71/346424971.db2.gz DTWOMASKZZQHBU-IUCAKERBSA-N 0 3 197.282 0.352 20 0 ACADHN CNC(=O)N1CC[C@H]2CCN(C)C[C@H]21 335867745 346425099 /nfs/dbraw/zinc/42/50/99/346425099.db2.gz DTWOMASKZZQHBU-RKDXNWHRSA-N 0 3 197.282 0.352 20 0 ACADHN CNC(=O)N1CCCN(C(C)C)CC1 335910495 346426829 /nfs/dbraw/zinc/42/68/29/346426829.db2.gz QYRCGFMWXIJJNV-UHFFFAOYSA-N 0 3 199.298 0.742 20 0 ACADHN CN(C)C(=O)CN1CC[C@H](C2CC2)C1 335899620 346426861 /nfs/dbraw/zinc/42/68/61/346426861.db2.gz QDKCELIMXLMVCX-JTQLQIEISA-N 0 3 196.294 0.807 20 0 ACADHN CN(C)C(=O)CN1CC[C@@H](C2CC2)C1 335899621 346426964 /nfs/dbraw/zinc/42/69/64/346426964.db2.gz QDKCELIMXLMVCX-SNVBAGLBSA-N 0 3 196.294 0.807 20 0 ACADHN C[C@H]1COCCN(Cc2cnc[nH]2)C1 335915268 346427800 /nfs/dbraw/zinc/42/78/00/346427800.db2.gz ONLGNWULJYJFAI-SECBINFHSA-N 0 3 195.266 0.878 20 0 ACADHN CC[C@H](C)N1CCN2C(=O)NC[C@@H]2C1 335973826 346430939 /nfs/dbraw/zinc/43/09/39/346430939.db2.gz STQNXIRISUYCPC-DTWKUNHWSA-N 0 3 197.282 0.494 20 0 ACADHN CC[C@H](C)N1CCN2C(=O)NC[C@H]2C1 335973827 346431039 /nfs/dbraw/zinc/43/10/39/346431039.db2.gz STQNXIRISUYCPC-IUCAKERBSA-N 0 3 197.282 0.494 20 0 ACADHN CNC(=O)N[C@H](C)C1=CCN(C)CC1 335976310 346431904 /nfs/dbraw/zinc/43/19/04/346431904.db2.gz NOXHRTMSUWTOOW-MRVPVSSYSA-N 0 3 197.282 0.566 20 0 ACADHN CNC(=O)N[C@@H](C)C1=CCN(C)CC1 335976311 346432060 /nfs/dbraw/zinc/43/20/60/346432060.db2.gz NOXHRTMSUWTOOW-QMMMGPOBSA-N 0 3 197.282 0.566 20 0 ACADHN CN(C)C(=O)CN1C[C@H]2CCC[C@H]2C1 336009873 346433387 /nfs/dbraw/zinc/43/33/87/346433387.db2.gz TUDXACFYEBWJCF-AOOOYVTPSA-N 0 3 196.294 0.807 20 0 ACADHN CN(C)C(=O)CN1C[C@@H]2CCC[C@H]2C1 336009875 346433544 /nfs/dbraw/zinc/43/35/44/346433544.db2.gz TUDXACFYEBWJCF-UWVGGRQHSA-N 0 3 196.294 0.807 20 0 ACADHN CN(C)C(=O)CN1C[C@H]2CCC[C@@H]2C1 336009874 346433556 /nfs/dbraw/zinc/43/35/56/346433556.db2.gz TUDXACFYEBWJCF-NXEZZACHSA-N 0 3 196.294 0.807 20 0 ACADHN CC1=C(C)CN([C@@H]2COC[C@H]2O)CC1 336031350 346434191 /nfs/dbraw/zinc/43/41/91/346434191.db2.gz SVWUBDUPFXVNPE-GHMZBOCLSA-N 0 3 197.278 0.788 20 0 ACADHN CN1CCC(C(=O)NCC2CC2)CC1 336032977 346434202 /nfs/dbraw/zinc/43/42/02/346434202.db2.gz CIADBXVAMBIWPA-UHFFFAOYSA-N 0 3 196.294 0.854 20 0 ACADHN CC1=C(C)CN([C@H]2COC[C@H]2O)CC1 336031351 346434384 /nfs/dbraw/zinc/43/43/84/346434384.db2.gz SVWUBDUPFXVNPE-WDEREUQCSA-N 0 3 197.278 0.788 20 0 ACADHN CCC(=O)N[C@@H]1CN(C2CC2)C[C@H]1C 336037840 346434872 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196.294 0.949 20 0 ACADHN CC[C@H](C)N(C)[C@@H]1CCNC1=O 336552797 346471594 /nfs/dbraw/zinc/47/15/94/346471594.db2.gz ZLPLGHIWLYNQSS-JGVFFNPUSA-N 0 3 170.256 0.605 20 0 ACADHN CC[C@]1(C)COCCN1CCO 336553098 346471675 /nfs/dbraw/zinc/47/16/75/346471675.db2.gz QSEWAXPHGXOLMK-SECBINFHSA-N 0 3 173.256 0.480 20 0 ACADHN CC(C)N(C)[C@@H]1CCN(C)C1=O 336552590 346471755 /nfs/dbraw/zinc/47/17/55/346471755.db2.gz NPNPBMATZXGZTC-MRVPVSSYSA-N 0 3 170.256 0.557 20 0 ACADHN CCCN(C)[C@@H]1CCN(C)C1=O 336553100 346471760 /nfs/dbraw/zinc/47/17/60/346471760.db2.gz QZBNEYAAKZHGPK-MRVPVSSYSA-N 0 3 170.256 0.559 20 0 ACADHN C[C@H]1CCCN1[C@H]1CCN(C)C1=O 336553611 346472065 /nfs/dbraw/zinc/47/20/65/346472065.db2.gz BIFXAFNCDILKPX-IUCAKERBSA-N 0 3 182.267 0.701 20 0 ACADHN C[C@H]1CCN([C@H]2CCN(C)C2=O)C1 336553659 346472143 /nfs/dbraw/zinc/47/21/43/346472143.db2.gz OGYUUVBPIIBQFY-IUCAKERBSA-N 0 3 182.267 0.559 20 0 ACADHN CCCN(C)[C@@H]1CCCNC1=O 336553705 346472246 /nfs/dbraw/zinc/47/22/46/346472246.db2.gz ZATZAOSXIICBGF-MRVPVSSYSA-N 0 3 170.256 0.607 20 0 ACADHN C[C@H]1CCCN1[C@@H]1CCN(C)C1=O 336553610 346472350 /nfs/dbraw/zinc/47/23/50/346472350.db2.gz BIFXAFNCDILKPX-DTWKUNHWSA-N 0 3 182.267 0.701 20 0 ACADHN CC(C)N(C)[C@H]1CCNC1=O 336553742 346472373 /nfs/dbraw/zinc/47/23/73/346472373.db2.gz HPUMOVKPMXTQML-ZETCQYMHSA-N 0 3 156.229 0.215 20 0 ACADHN CCCN(C)[C@H]1CCCNC1=O 336553706 346472418 /nfs/dbraw/zinc/47/24/18/346472418.db2.gz ZATZAOSXIICBGF-QMMMGPOBSA-N 0 3 170.256 0.607 20 0 ACADHN C[C@H]1CCN([C@@H]2CCN(C)C2=O)C1 336553658 346472546 /nfs/dbraw/zinc/47/25/46/346472546.db2.gz OGYUUVBPIIBQFY-DTWKUNHWSA-N 0 3 182.267 0.559 20 0 ACADHN CC(C)N(C)[C@@H]1CCNC1=O 336553741 346472574 /nfs/dbraw/zinc/47/25/74/346472574.db2.gz HPUMOVKPMXTQML-SSDOTTSWSA-N 0 3 156.229 0.215 20 0 ACADHN C[C@H]1N(CCCO)CCOC1(C)C 336554023 346473138 /nfs/dbraw/zinc/47/31/38/346473138.db2.gz CJNRLFWFYQTXNL-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN CC1CCN([C@H]2CCN(C)C2=O)CC1 336554321 346473549 /nfs/dbraw/zinc/47/35/49/346473549.db2.gz ZFYXXIGTCKYHDE-JTQLQIEISA-N 0 3 196.294 0.949 20 0 ACADHN CC(C)[C@@H]1C(=O)NCCN1CC1CC1 336555171 346474427 /nfs/dbraw/zinc/47/44/27/346474427.db2.gz NQGWXORGTJCTFO-SNVBAGLBSA-N 0 3 196.294 0.853 20 0 ACADHN CCSCCNC1(C(N)=O)CC1 379329608 346499450 /nfs/dbraw/zinc/49/94/50/346499450.db2.gz VMBOTNUCHCSFRO-UHFFFAOYSA-N 0 3 188.296 0.347 20 0 ACADHN CC(C)[C@H]1C(=O)NCCN1CC1CC1 336555170 346474577 /nfs/dbraw/zinc/47/45/77/346474577.db2.gz NQGWXORGTJCTFO-JTQLQIEISA-N 0 3 196.294 0.853 20 0 ACADHN CCCCN1CCCN(C(N)=O)CC1 336557130 346475031 /nfs/dbraw/zinc/47/50/31/346475031.db2.gz KJYUDRARMHLNIY-UHFFFAOYSA-N 0 3 199.298 0.873 20 0 ACADHN CC1(CO)CCN([C@H]2CCOC2)CC1 336572859 346475957 /nfs/dbraw/zinc/47/59/57/346475957.db2.gz VHBZBMKWFPCWFH-JTQLQIEISA-N 0 3 199.294 0.870 20 0 ACADHN CC1(CO)CCN([C@@H]2CCOC2)CC1 336572860 346476184 /nfs/dbraw/zinc/47/61/84/346476184.db2.gz VHBZBMKWFPCWFH-SNVBAGLBSA-N 0 3 199.294 0.870 20 0 ACADHN C[C@H]1C[C@H](O)CN1Cc1cccn1C 336608719 346478569 /nfs/dbraw/zinc/47/85/69/346478569.db2.gz UYCDBBCNOXRAAL-ONGXEEELSA-N 0 3 194.278 0.980 20 0 ACADHN C[C@H]1C[C@@H](O)CN1Cc1cccn1C 336608716 346479012 /nfs/dbraw/zinc/47/90/12/346479012.db2.gz UYCDBBCNOXRAAL-GXSJLCMTSA-N 0 3 194.278 0.980 20 0 ACADHN CCCN1CCN2C(=O)NC[C@H]2C1 336626636 346480215 /nfs/dbraw/zinc/48/02/15/346480215.db2.gz CLDBNURLKNIKPA-QMMMGPOBSA-N 0 3 183.255 0.106 20 0 ACADHN CCCN1CCN2C(=O)NC[C@@H]2C1 336626635 346480255 /nfs/dbraw/zinc/48/02/55/346480255.db2.gz CLDBNURLKNIKPA-MRVPVSSYSA-N 0 3 183.255 0.106 20 0 ACADHN CN1CC[C@H](N(C)CC2CC2)C1=O 336631443 346481088 /nfs/dbraw/zinc/48/10/88/346481088.db2.gz PLKVEGMDCKMVRL-VIFPVBQESA-N 0 3 182.267 0.559 20 0 ACADHN CN1CC[C@@H](N(C)CC2CC2)C1=O 336631442 346481022 /nfs/dbraw/zinc/48/10/22/346481022.db2.gz PLKVEGMDCKMVRL-SECBINFHSA-N 0 3 182.267 0.559 20 0 ACADHN Cc1c(CN2CC[C@H](O)C2)cnn1C 336631481 346481150 /nfs/dbraw/zinc/48/11/50/346481150.db2.gz YUSPBMYNESHNNH-JTQLQIEISA-N 0 3 195.266 0.295 20 0 ACADHN COCc1noc([C@@H]2CCN(C)C2)n1 349738223 346481393 /nfs/dbraw/zinc/48/13/93/346481393.db2.gz QMTKZXRKAJTIPT-SSDOTTSWSA-N 0 3 197.238 0.635 20 0 ACADHN COCc1noc([C@H]2CCN(C)C2)n1 349738224 346481533 /nfs/dbraw/zinc/48/15/33/346481533.db2.gz QMTKZXRKAJTIPT-ZETCQYMHSA-N 0 3 197.238 0.635 20 0 ACADHN C[C@H](O)CN(C)[C@H](C)C[S@](C)=O 379310777 346491990 /nfs/dbraw/zinc/49/19/90/346491990.db2.gz ASPYIBCUUAHZLT-LWINAJNOSA-N 0 3 193.312 0.066 20 0 ACADHN C[C@H](O)CN(C)[C@@H](C)C[S@](C)=O 379310779 346492017 /nfs/dbraw/zinc/49/20/17/346492017.db2.gz ASPYIBCUUAHZLT-UBJUHAIHSA-N 0 3 193.312 0.066 20 0 ACADHN C[C@H](O)CN(C)[C@@H](C)C[S@@](C)=O 379310780 346492023 /nfs/dbraw/zinc/49/20/23/346492023.db2.gz ASPYIBCUUAHZLT-YVZVNANGSA-N 0 3 193.312 0.066 20 0 ACADHN CCNC(=O)CN(C)CC(C)C 379313007 346492603 /nfs/dbraw/zinc/49/26/03/346492603.db2.gz DDMPMOWBSBNEKE-UHFFFAOYSA-N 0 3 172.272 0.710 20 0 ACADHN CC[C@@H](C)N(C)CC(=O)N(C)C 379314774 346493750 /nfs/dbraw/zinc/49/37/50/346493750.db2.gz POSQUVGGDIVXGB-MRVPVSSYSA-N 0 3 172.272 0.805 20 0 ACADHN CC[C@H](C)N(C)CC(=O)N(C)C 379314775 346493759 /nfs/dbraw/zinc/49/37/59/346493759.db2.gz POSQUVGGDIVXGB-QMMMGPOBSA-N 0 3 172.272 0.805 20 0 ACADHN CCCCN(C)CC(=O)NCC 379314629 346493974 /nfs/dbraw/zinc/49/39/74/346493974.db2.gz OQXDHAPUMKJZGV-UHFFFAOYSA-N 0 3 172.272 0.854 20 0 ACADHN CC(C)N(C)CC(=O)NC1CC1 379320189 346495489 /nfs/dbraw/zinc/49/54/89/346495489.db2.gz VCSUSNXAQHJTRM-UHFFFAOYSA-N 0 3 170.256 0.605 20 0 ACADHN CCN(CC(=O)NC)CC1CC1 379327018 346498163 /nfs/dbraw/zinc/49/81/63/346498163.db2.gz BSVLEXIULQWYDV-UHFFFAOYSA-N 0 3 170.256 0.464 20 0 ACADHN CSCCCNC1(C(N)=O)CC1 379329054 346498765 /nfs/dbraw/zinc/49/87/65/346498765.db2.gz SGNRSRRRUBGZOZ-UHFFFAOYSA-N 0 3 188.296 0.347 20 0 ACADHN CSC[C@@H]1CCCN1CC(N)=O 379336669 346502192 /nfs/dbraw/zinc/50/21/92/346502192.db2.gz RWBPPRKNKJENBT-ZETCQYMHSA-N 0 3 188.296 0.299 20 0 ACADHN CS[C@H](C)C(=O)NCCN(C)C 379336596 346502266 /nfs/dbraw/zinc/50/22/66/346502266.db2.gz RFNYYLNFQYMLII-SSDOTTSWSA-N 0 3 190.312 0.416 20 0 ACADHN CS[C@@H](C)C(=O)NCCN(C)C 379336597 346502375 /nfs/dbraw/zinc/50/23/75/346502375.db2.gz RFNYYLNFQYMLII-ZETCQYMHSA-N 0 3 190.312 0.416 20 0 ACADHN CSC[C@H]1CCCN1CC(N)=O 379336668 346502430 /nfs/dbraw/zinc/50/24/30/346502430.db2.gz RWBPPRKNKJENBT-SSDOTTSWSA-N 0 3 188.296 0.299 20 0 ACADHN COCCN(C)C[C@@H]1CCCO1 379338680 346502877 /nfs/dbraw/zinc/50/28/77/346502877.db2.gz NBMKBZMUNWQETH-VIFPVBQESA-N 0 3 173.256 0.744 20 0 ACADHN CNC(=O)CN(CC(C)C)C1CC1 379357413 346505864 /nfs/dbraw/zinc/50/58/64/346505864.db2.gz REWGZZYGGIUPRR-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN Cc1cc(CNCC(C)(C)O)[nH]n1 379361631 346507030 /nfs/dbraw/zinc/50/70/30/346507030.db2.gz CWRRTEZFPPJXNS-UHFFFAOYSA-N 0 3 183.255 0.579 20 0 ACADHN Cc1cc(CNCC(C)(C)O)n[nH]1 379361631 346507033 /nfs/dbraw/zinc/50/70/33/346507033.db2.gz CWRRTEZFPPJXNS-UHFFFAOYSA-N 0 3 183.255 0.579 20 0 ACADHN CCN(CC)CC(=O)N(C)C1CC1 379362881 346507147 /nfs/dbraw/zinc/50/71/47/346507147.db2.gz FFNIRWFLKSTPTD-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN CCCN(CC)CC(=O)N1CCC1 379374378 346508733 /nfs/dbraw/zinc/50/87/33/346508733.db2.gz MVGDEIQZOREERG-UHFFFAOYSA-N 0 3 184.283 0.951 20 0 ACADHN CCOCCC(=O)NCCN(C)C 379377065 346509363 /nfs/dbraw/zinc/50/93/63/346509363.db2.gz WCHJTJZKMVZIGN-UHFFFAOYSA-N 0 3 188.271 0.091 20 0 ACADHN CCOCCN(C)CCC(=O)NC 379377057 346509414 /nfs/dbraw/zinc/50/94/14/346509414.db2.gz WBLVMNZPCDGTFI-UHFFFAOYSA-N 0 3 188.271 0.091 20 0 ACADHN CCCN(CC)CC(=O)NC1CC1 379376723 346509656 /nfs/dbraw/zinc/50/96/56/346509656.db2.gz UUWCMTMLULGIQB-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CC(C)N(C)CC(=O)N(C)C1CC1 379384134 346511345 /nfs/dbraw/zinc/51/13/45/346511345.db2.gz MTSGZCMSAFFUHL-UHFFFAOYSA-N 0 3 184.283 0.947 20 0 ACADHN CCNC(=O)CN(C)CCC1CC1 379386270 346512209 /nfs/dbraw/zinc/51/22/09/346512209.db2.gz XBJFAHNCHLOFQS-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CNC(=O)CN(C)CCCCOC 379386087 346512345 /nfs/dbraw/zinc/51/23/45/346512345.db2.gz WKMKLDZZKMBINY-UHFFFAOYSA-N 0 3 188.271 0.091 20 0 ACADHN CCCN(CCOC)[C@H](C)C(N)=O 379388348 346512699 /nfs/dbraw/zinc/51/26/99/346512699.db2.gz JIJDMUFMLVOPBF-MRVPVSSYSA-N 0 3 188.271 0.219 20 0 ACADHN CN(CC(=O)N(C)C)CC1CCC1 379388228 346512973 /nfs/dbraw/zinc/51/29/73/346512973.db2.gz JCGFRFZLDQRSJV-UHFFFAOYSA-N 0 3 184.283 0.807 20 0 ACADHN CCCN(CCOC)[C@@H](C)C(N)=O 379388349 346513037 /nfs/dbraw/zinc/51/30/37/346513037.db2.gz JIJDMUFMLVOPBF-QMMMGPOBSA-N 0 3 188.271 0.219 20 0 ACADHN CC(C)N(C)CC(=O)NCC1CC1 379388359 346513066 /nfs/dbraw/zinc/51/30/66/346513066.db2.gz JJORXGDFLPGGMS-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN CC(C)OC(=O)CCN(C)CCO 379396634 346515787 /nfs/dbraw/zinc/51/57/87/346515787.db2.gz CWGWHZFIQDXBOJ-UHFFFAOYSA-N 0 3 189.255 0.252 20 0 ACADHN CCCN(C)CC(=O)NC1CCC1 379401066 346517258 /nfs/dbraw/zinc/51/72/58/346517258.db2.gz JYIHQHUZLZBYRB-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CCCN(C)CC(=O)NCC1CC1 379406473 346519093 /nfs/dbraw/zinc/51/90/93/346519093.db2.gz WKBTWXYPOBEBFZ-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CCN(CC(=O)NC)CC1CCC1 379408204 346519865 /nfs/dbraw/zinc/51/98/65/346519865.db2.gz ARCJTFUYXCTLPU-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CCN(CC(=O)N(C)C)CC1CC1 379411476 346520542 /nfs/dbraw/zinc/52/05/42/346520542.db2.gz IFTNGMAVWAIKFB-UHFFFAOYSA-N 0 3 184.283 0.807 20 0 ACADHN CC(C)C[C@H]1CCN(CC(N)=O)C1 379409501 346520667 /nfs/dbraw/zinc/52/06/67/346520667.db2.gz DCXMAOQSHRMLOE-SECBINFHSA-N 0 3 184.283 0.840 20 0 ACADHN CC(C)C[C@@H]1CCN(CC(N)=O)C1 379409502 346520797 /nfs/dbraw/zinc/52/07/97/346520797.db2.gz DCXMAOQSHRMLOE-VIFPVBQESA-N 0 3 184.283 0.840 20 0 ACADHN CO[C@H](C)CCNCc1cc[nH]n1 379414636 346522027 /nfs/dbraw/zinc/52/20/27/346522027.db2.gz OIZYBKZRLYMYEC-MRVPVSSYSA-N 0 3 183.255 0.924 20 0 ACADHN CO[C@@H](C)CCNCc1cc[nH]n1 379414637 346522399 /nfs/dbraw/zinc/52/23/99/346522399.db2.gz OIZYBKZRLYMYEC-QMMMGPOBSA-N 0 3 183.255 0.924 20 0 ACADHN CC(C)CN(C)CC(=O)NCC#N 379418148 346522868 /nfs/dbraw/zinc/52/28/68/346522868.db2.gz VRDPLXOKDRRAFP-UHFFFAOYSA-N 0 3 183.255 0.214 20 0 ACADHN CC(C)(NCC(N)=O)c1ccccc1 379492378 346523393 /nfs/dbraw/zinc/52/33/93/346523393.db2.gz RZHATIVZHGLQJC-UHFFFAOYSA-N 0 3 192.262 0.997 20 0 ACADHN CO[C@@H](C)CCNCc1ncc[nH]1 379419134 346523589 /nfs/dbraw/zinc/52/35/89/346523589.db2.gz XJVFNSYTWBLIRH-QMMMGPOBSA-N 0 3 183.255 0.924 20 0 ACADHN CCCNC(=O)CN1CC[C@@H](C)C1 379419404 346523638 /nfs/dbraw/zinc/52/36/38/346523638.db2.gz YBMTZJWBFZCTDM-SECBINFHSA-N 0 3 184.283 0.854 20 0 ACADHN CCCNC(=O)CN1CC[C@H](C)C1 379419405 346523661 /nfs/dbraw/zinc/52/36/61/346523661.db2.gz YBMTZJWBFZCTDM-VIFPVBQESA-N 0 3 184.283 0.854 20 0 ACADHN CO[C@H](C)CCNCc1ncc[nH]1 379419133 346523764 /nfs/dbraw/zinc/52/37/64/346523764.db2.gz XJVFNSYTWBLIRH-MRVPVSSYSA-N 0 3 183.255 0.924 20 0 ACADHN COC[C@@](C)(O)CNCc1ccco1 379588620 346525927 /nfs/dbraw/zinc/52/59/27/346525927.db2.gz UIEHRHSMXYQSAP-JTQLQIEISA-N 0 3 199.250 0.767 20 0 ACADHN Cc1cc(CNCCO)ccc1C#N 379580215 346526042 /nfs/dbraw/zinc/52/60/42/346526042.db2.gz YMIGXPZQCPOVTK-UHFFFAOYSA-N 0 3 190.246 0.949 20 0 ACADHN N#CCNC(=O)CNC1(C2CC2)CC1 379641357 346527954 /nfs/dbraw/zinc/52/79/54/346527954.db2.gz VGTRUHLRDBTSRE-UHFFFAOYSA-N 0 3 193.250 0.158 20 0 ACADHN CCCN(C)CC(=O)N(C)CC 381831314 346530127 /nfs/dbraw/zinc/53/01/27/346530127.db2.gz CTYXYICMKCWVHH-UHFFFAOYSA-N 0 3 172.272 0.807 20 0 ACADHN NC(=O)CN(C1CCCC1)C1CC1 381869754 346530913 /nfs/dbraw/zinc/53/09/13/346530913.db2.gz WVDONGIFEIETAM-UHFFFAOYSA-N 0 3 182.267 0.879 20 0 ACADHN CCc1cnc(C=NNC(=N)N)s1 382112628 346532169 /nfs/dbraw/zinc/53/21/69/346532169.db2.gz RIROGJVWEXMSHH-UHFFFAOYSA-N 0 3 197.267 0.522 20 0 ACADHN CCCCN(C)CCNC(=O)NC 388267617 346549222 /nfs/dbraw/zinc/54/92/22/346549222.db2.gz DBPQYWARRMFXJE-UHFFFAOYSA-N 0 3 187.287 0.647 20 0 ACADHN CCN(CC(N)=O)[C@@H](C)C(C)C 388391178 346551449 /nfs/dbraw/zinc/55/14/49/346551449.db2.gz BYTYORVXYPOCLQ-QMMMGPOBSA-N 0 3 172.272 0.838 20 0 ACADHN CCN(CC(N)=O)[C@H](C)C(C)C 388391177 346551662 /nfs/dbraw/zinc/55/16/62/346551662.db2.gz BYTYORVXYPOCLQ-MRVPVSSYSA-N 0 3 172.272 0.838 20 0 ACADHN CCOCCN(CCCO)C1CC1 388443558 346555166 /nfs/dbraw/zinc/55/51/66/346555166.db2.gz ICTDNPACJMGRQN-UHFFFAOYSA-N 0 3 187.283 0.870 20 0 ACADHN CCCNC(=O)CN(C)C(C)C 388493429 346557138 /nfs/dbraw/zinc/55/71/38/346557138.db2.gz ILTRUNOEOVKONZ-UHFFFAOYSA-N 0 3 172.272 0.853 20 0 ACADHN CCCN(CC(=O)NC)C1CC1 388514640 346558163 /nfs/dbraw/zinc/55/81/63/346558163.db2.gz TXAOJWBUFBFMTF-UHFFFAOYSA-N 0 3 170.256 0.607 20 0 ACADHN CC(C)N(CC(N)=O)C1CCC1 388513223 346558203 /nfs/dbraw/zinc/55/82/03/346558203.db2.gz SJIQIELCDUAJIA-UHFFFAOYSA-N 0 3 170.256 0.735 20 0 ACADHN COCCN(CCN(C)C)C(C)=O 388584183 346559722 /nfs/dbraw/zinc/55/97/22/346559722.db2.gz HALUGZWAKSCXEB-UHFFFAOYSA-N 0 3 188.271 0.043 20 0 ACADHN CN(CC(=O)NC1CC1)CC1CC1 388591491 346559862 /nfs/dbraw/zinc/55/98/62/346559862.db2.gz LTFSADGBFIJNPM-UHFFFAOYSA-N 0 3 182.267 0.607 20 0 ACADHN COC(=O)CCN(C)C1CC(O)C1 388595752 346560603 /nfs/dbraw/zinc/56/06/03/346560603.db2.gz CPPHNBNYJCLQMP-UHFFFAOYSA-N 0 3 187.239 0.005 20 0 ACADHN COC[C@@H](C)NCc1cc(C)[nH]n1 388653759 346562938 /nfs/dbraw/zinc/56/29/38/346562938.db2.gz SQFFWMGQQHTAGS-MRVPVSSYSA-N 0 3 183.255 0.843 20 0 ACADHN COC[C@@H](C)NCc1cc(C)n[nH]1 388653759 346562940 /nfs/dbraw/zinc/56/29/40/346562940.db2.gz SQFFWMGQQHTAGS-MRVPVSSYSA-N 0 3 183.255 0.843 20 0 ACADHN CC(C)[C@H](C(=O)NCC#N)N(C)C 388646323 346563061 /nfs/dbraw/zinc/56/30/61/346563061.db2.gz QGDRYPSMVFEIML-MRVPVSSYSA-N 0 3 183.255 0.212 20 0 ACADHN CC(C)CN(C)CC(=O)N1CCC1 388690625 346563658 /nfs/dbraw/zinc/56/36/58/346563658.db2.gz KSVNNYKRLWNQQC-UHFFFAOYSA-N 0 3 184.283 0.807 20 0 ACADHN COCCCN(CC(N)=O)C(C)C 388666987 346563966 /nfs/dbraw/zinc/56/39/66/346563966.db2.gz WWPVHZVDGKFEDT-UHFFFAOYSA-N 0 3 188.271 0.219 20 0 ACADHN CN(CCC1CC1)CC(=O)N(C)C 388698836 346564508 /nfs/dbraw/zinc/56/45/08/346564508.db2.gz MPMLQPMBEVXUOE-UHFFFAOYSA-N 0 3 184.283 0.807 20 0 ACADHN C[C@H](NCC1CC(O)C1)c1cn[nH]c1 388743267 346565592 /nfs/dbraw/zinc/56/55/92/346565592.db2.gz VHIQSMCAETVJAU-JEUQWKINSA-N 0 3 195.266 0.831 20 0 ACADHN COC[C@H](C)NCc1cc(C)[nH]n1 388925887 346569769 /nfs/dbraw/zinc/56/97/69/346569769.db2.gz SQFFWMGQQHTAGS-QMMMGPOBSA-N 0 3 183.255 0.843 20 0 ACADHN COC[C@H](C)NCc1cc(C)n[nH]1 388925887 346569771 /nfs/dbraw/zinc/56/97/71/346569771.db2.gz SQFFWMGQQHTAGS-QMMMGPOBSA-N 0 3 183.255 0.843 20 0 ACADHN CC(C)=CCN(CCO)CCCO 388947122 346569961 /nfs/dbraw/zinc/56/99/61/346569961.db2.gz YUPRUJJHTDXDDP-UHFFFAOYSA-N 0 3 187.283 0.629 20 0 ACADHN C[C@H](NCc1cncn1C)C(C)(C)O 389246679 346571467 /nfs/dbraw/zinc/57/14/67/346571467.db2.gz BIBFKOOJUMBSFP-QMMMGPOBSA-N 0 3 197.282 0.669 20 0 ACADHN CO[C@@H](C)CCNCc1cnn(C)c1 389257486 346571539 /nfs/dbraw/zinc/57/15/39/346571539.db2.gz FINUJTWMQPPZEJ-VIFPVBQESA-N 0 3 197.282 0.935 20 0 ACADHN CO[C@H](C)CCNCc1cnn(C)c1 389257463 346571697 /nfs/dbraw/zinc/57/16/97/346571697.db2.gz FINUJTWMQPPZEJ-SECBINFHSA-N 0 3 197.282 0.935 20 0 ACADHN CC(C)[C@@H](CCO)NCc1cn[nH]c1 389303593 346572169 /nfs/dbraw/zinc/57/21/69/346572169.db2.gz MZCLCHCHEBEUMO-SNVBAGLBSA-N 0 3 197.282 0.906 20 0 ACADHN CC(C)[C@H](CCO)NCc1cn[nH]c1 389303592 346572542 /nfs/dbraw/zinc/57/25/42/346572542.db2.gz MZCLCHCHEBEUMO-JTQLQIEISA-N 0 3 197.282 0.906 20 0 ACADHN CCCN1CC[C@@H](NC(=O)C2CC2)C1 389459196 346573492 /nfs/dbraw/zinc/57/34/92/346573492.db2.gz RVGZFUGKWLAVSU-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CCCN1CC[C@H](NC(=O)C2CC2)C1 389459195 346573523 /nfs/dbraw/zinc/57/35/23/346573523.db2.gz RVGZFUGKWLAVSU-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN C[C@@H](CO)CNCc1cn[nH]c1 393323305 346574858 /nfs/dbraw/zinc/57/48/58/346574858.db2.gz RGJGNYJCQOAGTK-SSDOTTSWSA-N 0 3 169.228 0.128 20 0 ACADHN C[C@H](CO)CNCc1cn[nH]c1 393323310 346574976 /nfs/dbraw/zinc/57/49/76/346574976.db2.gz RGJGNYJCQOAGTK-ZETCQYMHSA-N 0 3 169.228 0.128 20 0 ACADHN CCOCCN(C)[C@@H](C)COC 393324334 346575426 /nfs/dbraw/zinc/57/54/26/346575426.db2.gz KIIRCOPTPPHFBY-VIFPVBQESA-N 0 3 175.272 0.990 20 0 ACADHN CCOCCN(C)[C@H](C)COC 393324333 346575807 /nfs/dbraw/zinc/57/58/07/346575807.db2.gz KIIRCOPTPPHFBY-SECBINFHSA-N 0 3 175.272 0.990 20 0 ACADHN COCCN(C)C[C@H]1CCCO1 393348518 346577193 /nfs/dbraw/zinc/57/71/93/346577193.db2.gz NBMKBZMUNWQETH-SECBINFHSA-N 0 3 173.256 0.744 20 0 ACADHN Cc1cc(C)n(CCN(C)CCO)n1 393544213 346578491 /nfs/dbraw/zinc/57/84/91/346578491.db2.gz CWLAGRQMQUFOON-UHFFFAOYSA-N 0 3 197.282 0.424 20 0 ACADHN CC[C@H](OC)C(=O)NCCN(C)C 393568195 346579511 /nfs/dbraw/zinc/57/95/11/346579511.db2.gz XWMWTSGBEHLJJS-QMMMGPOBSA-N 0 3 188.271 0.089 20 0 ACADHN CN(CCC1CC1)CC(N)=O 393582672 346579667 /nfs/dbraw/zinc/57/96/67/346579667.db2.gz ODIUQLIAGCYLKA-UHFFFAOYSA-N 0 3 156.229 0.204 20 0 ACADHN CC[C@@H](OC)C(=O)NCCN(C)C 393568192 346579696 /nfs/dbraw/zinc/57/96/96/346579696.db2.gz XWMWTSGBEHLJJS-MRVPVSSYSA-N 0 3 188.271 0.089 20 0 ACADHN CCCN(CC(=O)N(C)C)C1CC1 393712239 346581975 /nfs/dbraw/zinc/58/19/75/346581975.db2.gz BJCUMVRYXANXCO-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN CN(C)CCNC(=O)CC1CCC1 393719674 346583227 /nfs/dbraw/zinc/58/32/27/346583227.db2.gz DHYRSGFHFSBKAI-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CO[C@@H]1CN(CCSC)C[C@H]1O 395370762 346586670 /nfs/dbraw/zinc/58/66/70/346586670.db2.gz UPXDVRFDPJKORT-HTQZYQBOSA-N 0 3 191.296 0.041 20 0 ACADHN CN(C)C(=O)NCC1(N(C)C)CC1 397852916 346593593 /nfs/dbraw/zinc/59/35/93/346593593.db2.gz VNQCOHDYEVEUOE-UHFFFAOYSA-N 0 3 185.271 0.352 20 0 ACADHN Cc1ncc(CNC[C@H](C)CO)o1 397927875 346593603 /nfs/dbraw/zinc/59/36/03/346593603.db2.gz SWFVRCDWSZUETP-ZETCQYMHSA-N 0 3 184.239 0.701 20 0 ACADHN CC(C)NC(=O)NCC1(N(C)C)CC1 397862874 346593763 /nfs/dbraw/zinc/59/37/63/346593763.db2.gz YWMISFBIYQBUIK-UHFFFAOYSA-N 0 3 199.298 0.788 20 0 ACADHN CCNC(=O)NCC1(N(C)C)CC1 397812311 346593783 /nfs/dbraw/zinc/59/37/83/346593783.db2.gz GYJBWHHDLQTUEO-UHFFFAOYSA-N 0 3 185.271 0.400 20 0 ACADHN CN(C)C1(CNC(=O)C2CC2)CC1 397836351 346593921 /nfs/dbraw/zinc/59/39/21/346593921.db2.gz OUELIPDBYVYWIZ-UHFFFAOYSA-N 0 3 182.267 0.607 20 0 ACADHN Cc1ncc(CNC[C@@H](C)CO)o1 397927871 346593948 /nfs/dbraw/zinc/59/39/48/346593948.db2.gz SWFVRCDWSZUETP-SSDOTTSWSA-N 0 3 184.239 0.701 20 0 ACADHN COC[C@@H](NCc1cn[nH]n1)C1CC1 398310021 346595171 /nfs/dbraw/zinc/59/51/71/346595171.db2.gz XIILMBSIXWKOKT-SECBINFHSA-N 0 3 196.254 0.319 20 0 ACADHN COC[C@H](NCc1cn[nH]n1)C1CC1 398310023 346595291 /nfs/dbraw/zinc/59/52/91/346595291.db2.gz XIILMBSIXWKOKT-VIFPVBQESA-N 0 3 196.254 0.319 20 0 ACADHN COC[C@H](NCc1c[nH]nn1)C1CC1 398310023 346595295 /nfs/dbraw/zinc/59/52/95/346595295.db2.gz XIILMBSIXWKOKT-VIFPVBQESA-N 0 3 196.254 0.319 20 0 ACADHN CC(C#N)C(=O)N(C)C[C@H]1CCOC1 398883805 346597039 /nfs/dbraw/zinc/59/70/39/346597039.db2.gz FODKCTBONDNDLM-RKDXNWHRSA-N 0 3 196.250 0.641 20 0 ACADHN CC(C#N)C(=O)N(C)C[C@H]1CCOC1 398883803 346597158 /nfs/dbraw/zinc/59/71/58/346597158.db2.gz FODKCTBONDNDLM-DTWKUNHWSA-N 0 3 196.250 0.641 20 0 ACADHN CC(C#N)C(=O)N(C)C[C@@H]1CCOC1 398883804 346597235 /nfs/dbraw/zinc/59/72/35/346597235.db2.gz FODKCTBONDNDLM-IUCAKERBSA-N 0 3 196.250 0.641 20 0 ACADHN CC(C#N)C(=O)N(C)C[C@@H]1CCOC1 398883802 346597356 /nfs/dbraw/zinc/59/73/56/346597356.db2.gz FODKCTBONDNDLM-BDAKNGLRSA-N 0 3 196.250 0.641 20 0 ACADHN CSC[C@H]1CCCN1C(=O)CN 399966807 346599344 /nfs/dbraw/zinc/59/93/44/346599344.db2.gz PGYRLYUSHYVDMY-SSDOTTSWSA-N 0 3 188.296 0.299 20 0 ACADHN CSC[C@@H]1CCCN1C(=O)CN 399966808 346599799 /nfs/dbraw/zinc/59/97/99/346599799.db2.gz PGYRLYUSHYVDMY-ZETCQYMHSA-N 0 3 188.296 0.299 20 0 ACADHN CC(=O)N1[C@H](C)CN[C@H](C)[C@H]1C 401284975 346603629 /nfs/dbraw/zinc/60/36/29/346603629.db2.gz IAFSTWGXYYUNCE-BWZBUEFSSA-N 0 3 170.256 0.604 20 0 ACADHN CC(=O)N1[C@H](C)CN[C@@H](C)[C@H]1C 401284977 346603636 /nfs/dbraw/zinc/60/36/36/346603636.db2.gz IAFSTWGXYYUNCE-GJMOJQLCSA-N 0 3 170.256 0.604 20 0 ACADHN CNCC(=O)Nc1cccnc1F 401657091 346614350 /nfs/dbraw/zinc/61/43/50/346614350.db2.gz JYRDHNKSEXBFNY-UHFFFAOYSA-N 0 3 183.186 0.379 20 0 ACADHN C[C@H]1C[C@H](NCCF)CO1 401868183 346620868 /nfs/dbraw/zinc/62/08/68/346620868.db2.gz GUNMBSWWJCMQKK-BQBZGAKWSA-N 0 3 147.193 0.723 20 0 ACADHN C[C@@H]1C[C@H](NCCF)CO1 401868189 346621014 /nfs/dbraw/zinc/62/10/14/346621014.db2.gz GUNMBSWWJCMQKK-RQJHMYQMSA-N 0 3 147.193 0.723 20 0 ACADHN C[C@H]1C[C@@H](NCCF)CO1 401868187 346621043 /nfs/dbraw/zinc/62/10/43/346621043.db2.gz GUNMBSWWJCMQKK-NKWVEPMBSA-N 0 3 147.193 0.723 20 0 ACADHN C[C@@H]1C[C@@H](NCCF)CO1 401868188 346621049 /nfs/dbraw/zinc/62/10/49/346621049.db2.gz GUNMBSWWJCMQKK-RNFRBKRXSA-N 0 3 147.193 0.723 20 0 ACADHN C[C@@H]1C[C@@H](NC2CSC2)CO1 402380824 346629554 /nfs/dbraw/zinc/62/95/54/346629554.db2.gz MNOPWKGBFXPTRO-RNFRBKRXSA-N 0 3 173.281 0.869 20 0 ACADHN C[C@H]1C[C@@H](NC2CSC2)CO1 402380823 346629568 /nfs/dbraw/zinc/62/95/68/346629568.db2.gz MNOPWKGBFXPTRO-NKWVEPMBSA-N 0 3 173.281 0.869 20 0 ACADHN C[C@H]1C[C@H](NC2CSC2)CO1 402380822 346629961 /nfs/dbraw/zinc/62/99/61/346629961.db2.gz MNOPWKGBFXPTRO-BQBZGAKWSA-N 0 3 173.281 0.869 20 0 ACADHN C[C@@H]1C[C@H](NC2CSC2)CO1 402380825 346629993 /nfs/dbraw/zinc/62/99/93/346629993.db2.gz MNOPWKGBFXPTRO-RQJHMYQMSA-N 0 3 173.281 0.869 20 0 ACADHN CN(C(=O)CN)C1CCSCC1 403618624 346637368 /nfs/dbraw/zinc/63/73/68/346637368.db2.gz LYBXODSDAKBPAN-UHFFFAOYSA-N 0 3 188.296 0.299 20 0 ACADHN C[C@@H](N)C(=O)N1CCC=C(Cl)C1 404187022 346640128 /nfs/dbraw/zinc/64/01/28/346640128.db2.gz DLMKELSYBFHUKU-ZCFIWIBFSA-N 0 3 188.658 0.689 20 0 ACADHN N=C(CN1CCCC(F)(F)C1)NO 405025753 346656160 /nfs/dbraw/zinc/65/61/60/346656160.db2.gz AFRWCXYZWAJAAL-UHFFFAOYSA-N 0 3 193.197 0.674 20 0 ACADHN N=C(CN1CCC(F)(F)CC1)NO 405118523 346658159 /nfs/dbraw/zinc/65/81/59/346658159.db2.gz IQHFVMZWQITAPX-UHFFFAOYSA-N 0 3 193.197 0.674 20 0 ACADHN NCc1cn([C@@H]2CCSC2)nn1 405382650 346664719 /nfs/dbraw/zinc/66/47/19/346664719.db2.gz JVQBRHWKDRFMGQ-SSDOTTSWSA-N 0 3 184.268 0.415 20 0 ACADHN NCc1cn([C@H]2CCSC2)nn1 405382653 346664780 /nfs/dbraw/zinc/66/47/80/346664780.db2.gz JVQBRHWKDRFMGQ-ZETCQYMHSA-N 0 3 184.268 0.415 20 0 ACADHN CC(C)CNC(=O)[C@H]1C[C@@H](F)CN1 409422759 346679513 /nfs/dbraw/zinc/67/95/13/346679513.db2.gz ILPHACHCVKRRJC-HTQZYQBOSA-N 0 3 188.246 0.459 20 0 ACADHN C[C@@H](N)C(=O)N1CCC(F)CC1 409422998 346680110 /nfs/dbraw/zinc/68/01/10/346680110.db2.gz KPNWKNWXLABJLL-ZCFIWIBFSA-N 0 3 174.219 0.294 20 0 ACADHN C[C@H](N)C(=O)N1CCC(F)CC1 409422997 346680147 /nfs/dbraw/zinc/68/01/47/346680147.db2.gz KPNWKNWXLABJLL-LURJTMIESA-N 0 3 174.219 0.294 20 0 ACADHN NCC(=O)N1CCC[C@@H](CF)C1 409424707 346682413 /nfs/dbraw/zinc/68/24/13/346682413.db2.gz CTHHXZFTGWEBQA-ZETCQYMHSA-N 0 3 174.219 0.153 20 0 ACADHN CNCC(=O)N1CC[C@@H](CF)C1 409424682 346682662 /nfs/dbraw/zinc/68/26/62/346682662.db2.gz CQYHYULXBHOXQZ-ZETCQYMHSA-N 0 3 174.219 0.024 20 0 ACADHN CNCC(=O)N1CCC(F)CC1 409424930 346682700 /nfs/dbraw/zinc/68/27/00/346682700.db2.gz ZNHRTKJLNAVZRX-UHFFFAOYSA-N 0 3 174.219 0.166 20 0 ACADHN NCC(=O)N1CCC[C@H](CF)C1 409424704 346682750 /nfs/dbraw/zinc/68/27/50/346682750.db2.gz CTHHXZFTGWEBQA-SSDOTTSWSA-N 0 3 174.219 0.153 20 0 ACADHN CNCC(=O)N1CC[C@H](CF)C1 409424681 346682876 /nfs/dbraw/zinc/68/28/76/346682876.db2.gz CQYHYULXBHOXQZ-SSDOTTSWSA-N 0 3 174.219 0.024 20 0 ACADHN C[C@H](N)C(=O)N1CCC[C@@H](CF)C1 409426213 346683985 /nfs/dbraw/zinc/68/39/85/346683985.db2.gz HVNOJZSGEPHWNR-YUMQZZPRSA-N 0 3 188.246 0.542 20 0 ACADHN C[C@@H](N)C(=O)N1CCC[C@H](CF)C1 409426210 346684062 /nfs/dbraw/zinc/68/40/62/346684062.db2.gz HVNOJZSGEPHWNR-HTQZYQBOSA-N 0 3 188.246 0.542 20 0 ACADHN C[C@H](N)C(=O)N1CCC[C@H](CF)C1 409426211 346684096 /nfs/dbraw/zinc/68/40/96/346684096.db2.gz HVNOJZSGEPHWNR-JGVFFNPUSA-N 0 3 188.246 0.542 20 0 ACADHN C[C@@H](N)C(=O)N1CCC[C@@H](CF)C1 409426212 346684311 /nfs/dbraw/zinc/68/43/11/346684311.db2.gz HVNOJZSGEPHWNR-SFYZADRCSA-N 0 3 188.246 0.542 20 0 ACADHN C[C@@H](N)C(=O)N1CC[C@@H](CF)C1 409430600 346690784 /nfs/dbraw/zinc/69/07/84/346690784.db2.gz QWEBSEAAKDOTRW-RQJHMYQMSA-N 0 3 174.219 0.152 20 0 ACADHN C[C@@H](N)C(=O)N1CC[C@H](CF)C1 409430596 346690814 /nfs/dbraw/zinc/69/08/14/346690814.db2.gz QWEBSEAAKDOTRW-RNFRBKRXSA-N 0 3 174.219 0.152 20 0 ACADHN C[C@H](N)C(=O)N1CC[C@@H](CF)C1 409430594 346691046 /nfs/dbraw/zinc/69/10/46/346691046.db2.gz QWEBSEAAKDOTRW-BQBZGAKWSA-N 0 3 174.219 0.152 20 0 ACADHN C[C@H](N)C(=O)N1CC[C@H](CF)C1 409430595 346691171 /nfs/dbraw/zinc/69/11/71/346691171.db2.gz QWEBSEAAKDOTRW-NKWVEPMBSA-N 0 3 174.219 0.152 20 0 ACADHN CNCC(=O)N1CCC[C@H](CF)C1 409432889 346694883 /nfs/dbraw/zinc/69/48/83/346694883.db2.gz WWJMVUZJXPVSJT-MRVPVSSYSA-N 0 3 188.246 0.414 20 0 ACADHN CNCC(=O)N1CCC[C@@H](CF)C1 409432891 346694932 /nfs/dbraw/zinc/69/49/32/346694932.db2.gz WWJMVUZJXPVSJT-QMMMGPOBSA-N 0 3 188.246 0.414 20 0 ACADHN O=C(c1cocn1)N1CCCNCC1 409436722 346700519 /nfs/dbraw/zinc/70/05/19/346700519.db2.gz XYMCLRSJWRQXSE-UHFFFAOYSA-N 0 3 195.222 0.110 20 0 ACADHN Nc1ccc(F)c(NC2=NCCN2)c1 521401744 346710670 /nfs/dbraw/zinc/71/06/70/346710670.db2.gz OITNLOXAPZLANL-UHFFFAOYSA-N 0 3 194.213 0.779 20 0 ACADHN N[C@@]1(c2ncc[nH]2)CCSC1 521402123 346711076 /nfs/dbraw/zinc/71/10/76/346711076.db2.gz VMZAQUTUQAKYDL-ZETCQYMHSA-N 0 3 169.253 0.701 20 0 ACADHN CNC[C@@H]([NH3+])C[C@H](C)CC(=O)[O-] 521402138 346711087 /nfs/dbraw/zinc/71/10/87/346711087.db2.gz ZMNNGPASOHEFMJ-BQBZGAKWSA-N 0 3 174.244 0.034 20 0 ACADHN CNC[C@@H]([NH3+])C[C@@H](C)CC(=O)[O-] 521402145 346711096 /nfs/dbraw/zinc/71/10/96/346711096.db2.gz ZMNNGPASOHEFMJ-RQJHMYQMSA-N 0 3 174.244 0.034 20 0 ACADHN CNC[C@H]([NH3+])C[C@H](C)CC(=O)[O-] 521402140 346711150 /nfs/dbraw/zinc/71/11/50/346711150.db2.gz ZMNNGPASOHEFMJ-NKWVEPMBSA-N 0 3 174.244 0.034 20 0 ACADHN N[C@]1(c2ncc[nH]2)CCSC1 521402113 346711159 /nfs/dbraw/zinc/71/11/59/346711159.db2.gz VMZAQUTUQAKYDL-SSDOTTSWSA-N 0 3 169.253 0.701 20 0 ACADHN CNC[C@H]([NH3+])C[C@@H](C)CC(=O)[O-] 521402144 346711188 /nfs/dbraw/zinc/71/11/88/346711188.db2.gz ZMNNGPASOHEFMJ-RNFRBKRXSA-N 0 3 174.244 0.034 20 0 ACADHN CC(C)n1[nH]c(=O)c2c1CNC[C@H]2N 536956162 346712289 /nfs/dbraw/zinc/71/22/89/346712289.db2.gz YJULBBJZXZOBER-ZCFIWIBFSA-N 0 3 196.254 0.273 20 0 ACADHN O[C@H]1CCNC[C@@H]1NCc1ccco1 536956145 346712430 /nfs/dbraw/zinc/71/24/30/346712430.db2.gz WZYCFVACLWFKMV-UWVGGRQHSA-N 0 3 196.250 0.092 20 0 ACADHN CC(C)n1[nH]c(=O)c2c1CNC[C@@H]2N 536956154 346712480 /nfs/dbraw/zinc/71/24/80/346712480.db2.gz YJULBBJZXZOBER-LURJTMIESA-N 0 3 196.254 0.273 20 0 ACADHN C[C@@H]1CNC[C@H](CCF)O1 536956573 346712770 /nfs/dbraw/zinc/71/27/70/346712770.db2.gz ZCABWYHTTYWTDZ-RQJHMYQMSA-N 0 3 147.193 0.723 20 0 ACADHN CN1C(=O)c2cc(F)ccc2[C@H]1CN 536956448 346712814 /nfs/dbraw/zinc/71/28/14/346712814.db2.gz WHXJYXYAIKDETG-SECBINFHSA-N 0 3 194.209 0.911 20 0 ACADHN C[C@H]1CNC[C@H](CCF)O1 536956569 346712835 /nfs/dbraw/zinc/71/28/35/346712835.db2.gz ZCABWYHTTYWTDZ-BQBZGAKWSA-N 0 3 147.193 0.723 20 0 ACADHN C[C@H]1CNC[C@@H](CCF)O1 536956571 346712921 /nfs/dbraw/zinc/71/29/21/346712921.db2.gz ZCABWYHTTYWTDZ-NKWVEPMBSA-N 0 3 147.193 0.723 20 0 ACADHN C[C@@H]1CNC[C@@H](CCF)O1 536956572 346712994 /nfs/dbraw/zinc/71/29/94/346712994.db2.gz ZCABWYHTTYWTDZ-RNFRBKRXSA-N 0 3 147.193 0.723 20 0 ACADHN CN1C(=O)c2cc(F)ccc2[C@@H]1CN 536956454 346713013 /nfs/dbraw/zinc/71/30/13/346713013.db2.gz WHXJYXYAIKDETG-VIFPVBQESA-N 0 3 194.209 0.911 20 0 ACADHN COC(=O)[C@H]1C[Si]2(CCCC2)CN1 584880433 346747869 /nfs/dbraw/zinc/74/78/69/346747869.db2.gz BIZSEZFKUKIYJX-MRVPVSSYSA-N 0 3 199.326 0.913 20 0 ACADHN CCN(C)c1cc2c(nn1)CCNC2 584881438 346748316 /nfs/dbraw/zinc/74/83/16/346748316.db2.gz IUJTVBIMKNLJQF-UHFFFAOYSA-N 0 3 192.266 0.578 20 0 ACADHN CC1(C)CCCNCCC(=O)NC1 584883010 346750380 /nfs/dbraw/zinc/75/03/80/346750380.db2.gz DRQDIYHQCIRASB-UHFFFAOYSA-N 0 3 184.283 0.902 20 0 ACADHN CC1(C)CCNCCC(=O)NCC1 584882936 346750462 /nfs/dbraw/zinc/75/04/62/346750462.db2.gz AWTCOXQBCVLGCH-UHFFFAOYSA-N 0 3 184.283 0.902 20 0 ACADHN C[C@@H]1CCCNCCC(=O)NC1 584882933 346750552 /nfs/dbraw/zinc/75/05/52/346750552.db2.gz ATRAXHTUZQMUCS-MRVPVSSYSA-N 0 3 170.256 0.512 20 0 ACADHN C[C@H]1CCCNCCC(=O)NC1 584882934 346750612 /nfs/dbraw/zinc/75/06/12/346750612.db2.gz ATRAXHTUZQMUCS-QMMMGPOBSA-N 0 3 170.256 0.512 20 0 ACADHN C[C@H]1CCNCCC(=O)NCC1 584883123 346750908 /nfs/dbraw/zinc/75/09/08/346750908.db2.gz HOMKMSSDFZLOFU-QMMMGPOBSA-N 0 3 170.256 0.512 20 0 ACADHN C[C@@H]1CCCCNCCC(=O)N1 584883325 346750972 /nfs/dbraw/zinc/75/09/72/346750972.db2.gz MMHXPHRADTWCJS-MRVPVSSYSA-N 0 3 170.256 0.655 20 0 ACADHN C[C@H]1CCCCNCCC(=O)N1 584883327 346751038 /nfs/dbraw/zinc/75/10/38/346751038.db2.gz MMHXPHRADTWCJS-QMMMGPOBSA-N 0 3 170.256 0.655 20 0 ACADHN C[C@@H]1CCNCCC(=O)NCC1 584883121 346751174 /nfs/dbraw/zinc/75/11/74/346751174.db2.gz HOMKMSSDFZLOFU-MRVPVSSYSA-N 0 3 170.256 0.512 20 0 ACADHN N[C@@H]1CCCn2nc(F)cc21 584883568 346751679 /nfs/dbraw/zinc/75/16/79/346751679.db2.gz UOAZETYNMMOOQV-RXMQYKEDSA-N 0 3 155.176 0.816 20 0 ACADHN N[C@H]1CCCn2nc(F)cc21 584883569 346751820 /nfs/dbraw/zinc/75/18/20/346751820.db2.gz UOAZETYNMMOOQV-YFKPBYRVSA-N 0 3 155.176 0.816 20 0 ACADHN C1=C(c2ncno2)CNCC1 585672751 346761368 /nfs/dbraw/zinc/76/13/68/346761368.db2.gz YQPDZOZHENKORC-UHFFFAOYSA-N 0 3 151.169 0.446 20 0 ACADHN C[C@@H](CNC(=O)c1cnc[nH]1)N(C)C 586751017 346762778 /nfs/dbraw/zinc/76/27/78/346762778.db2.gz QVSXPAGUTVXXLY-ZETCQYMHSA-N 0 3 196.254 0.090 20 0 ACADHN C[C@H](CNC(=O)c1cnc[nH]1)N(C)C 586751016 346762957 /nfs/dbraw/zinc/76/29/57/346762957.db2.gz QVSXPAGUTVXXLY-SSDOTTSWSA-N 0 3 196.254 0.090 20 0 ACADHN CN(CCn1ccccc1=O)C1CC1 586829368 346763864 /nfs/dbraw/zinc/76/38/64/346763864.db2.gz GWKAXIRFCOTASB-UHFFFAOYSA-N 0 3 192.262 0.943 20 0 ACADHN COCCCN(C)CCn1cncn1 589150700 346769581 /nfs/dbraw/zinc/76/95/81/346769581.db2.gz XRBLAWMDGHKTNI-UHFFFAOYSA-N 0 3 198.270 0.246 20 0 ACADHN c1ncn(CCN2C3CCC2CC3)n1 589150670 346769168 /nfs/dbraw/zinc/76/91/68/346769168.db2.gz YRPOSEJQUCRJKD-UHFFFAOYSA-N 0 3 192.266 0.905 20 0 ACADHN CCN(CCn1cncn1)C1CC1 589150653 346769445 /nfs/dbraw/zinc/76/94/45/346769445.db2.gz SHQGXWNYSFHTLA-UHFFFAOYSA-N 0 3 180.255 0.762 20 0 ACADHN CN(CCn1cncn1)C1CC1 589150663 346769516 /nfs/dbraw/zinc/76/95/16/346769516.db2.gz WYPNKESEBACTSE-UHFFFAOYSA-N 0 3 166.228 0.372 20 0 ACADHN CCNC(=O)CN1CCC[C@@H]1C1CC1 590820394 346795224 /nfs/dbraw/zinc/79/52/24/346795224.db2.gz XYRSRWMJIDHERC-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CCNC(=O)CN1CCC[C@H]1C1CC1 590820393 346795336 /nfs/dbraw/zinc/79/53/36/346795336.db2.gz XYRSRWMJIDHERC-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN Cc1ocnc1C(=O)NCCN(C)C 590880656 346796045 /nfs/dbraw/zinc/79/60/45/346796045.db2.gz HYQLJTKRGXCZPG-UHFFFAOYSA-N 0 3 197.238 0.274 20 0 ACADHN CO[C@@H]1COC[C@@H]1NCCSC 590973179 346798973 /nfs/dbraw/zinc/79/89/73/346798973.db2.gz KIUTZSFVSOPRHM-JGVFFNPUSA-N 0 3 191.296 0.353 20 0 ACADHN C[C@H](CNC(=O)c1cocn1)N(C)C 591129239 346805104 /nfs/dbraw/zinc/80/51/04/346805104.db2.gz AJGCEVPGRQYJEN-SSDOTTSWSA-N 0 3 197.238 0.355 20 0 ACADHN C[C@@H](CNC(=O)c1cocn1)N(C)C 591129240 346805220 /nfs/dbraw/zinc/80/52/20/346805220.db2.gz AJGCEVPGRQYJEN-ZETCQYMHSA-N 0 3 197.238 0.355 20 0 ACADHN COC(=O)CC1CC(NCCF)C1 591657916 346818928 /nfs/dbraw/zinc/81/89/28/346818928.db2.gz ZJCMMPWFEXOVOL-UHFFFAOYSA-N 0 3 189.230 0.887 20 0 ACADHN CC[C@H]1CN(C)CCN1C[C@@H](C)O 591873586 346825470 /nfs/dbraw/zinc/82/54/70/346825470.db2.gz PHAZNEHITIFAAC-ZJUUUORDSA-N 0 3 186.299 0.393 20 0 ACADHN CCN1CCN(CCOC)[C@@H](C)C1 591874616 346825633 /nfs/dbraw/zinc/82/56/33/346825633.db2.gz WNDCOJTUUZBZKY-JTQLQIEISA-N 0 3 186.299 0.659 20 0 ACADHN CC[C@@H]1CN(C)CCN1CCOC 591874535 346825719 /nfs/dbraw/zinc/82/57/19/346825719.db2.gz HOANHIVNHQGKRV-SNVBAGLBSA-N 0 3 186.299 0.659 20 0 ACADHN CC[C@H]1CN(C)CCN1CCOC 591874534 346825728 /nfs/dbraw/zinc/82/57/28/346825728.db2.gz HOANHIVNHQGKRV-JTQLQIEISA-N 0 3 186.299 0.659 20 0 ACADHN COC(=O)C1(C)CN(CC2CC2)C1 591839617 346825751 /nfs/dbraw/zinc/82/57/51/346825751.db2.gz WYILADVUSFYUIP-UHFFFAOYSA-N 0 3 183.251 0.891 20 0 ACADHN CC[C@@H]1CN(C)CCN1C[C@@H](C)O 591873583 346825758 /nfs/dbraw/zinc/82/57/58/346825758.db2.gz PHAZNEHITIFAAC-NXEZZACHSA-N 0 3 186.299 0.393 20 0 ACADHN CC[C@@H]1CN(C)CCN1C[C@H](C)O 591873585 346825779 /nfs/dbraw/zinc/82/57/79/346825779.db2.gz PHAZNEHITIFAAC-VHSXEESVSA-N 0 3 186.299 0.393 20 0 ACADHN CCN1CCN(CCOC)[C@H](C)C1 591874618 346825814 /nfs/dbraw/zinc/82/58/14/346825814.db2.gz WNDCOJTUUZBZKY-SNVBAGLBSA-N 0 3 186.299 0.659 20 0 ACADHN CCN1CC[C@@H](NC(=O)C2CCC2)C1 592817972 346833431 /nfs/dbraw/zinc/83/34/31/346833431.db2.gz SFZVBQBNYDKEBO-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CN(CCn1cccn1)[C@H]1CCOC1 592818637 346833694 /nfs/dbraw/zinc/83/36/94/346833694.db2.gz XPQPHGMKPPNZAL-JTQLQIEISA-N 0 3 195.266 0.604 20 0 ACADHN CCN1CC[C@H](NC(=O)C2CCC2)C1 592817969 346833708 /nfs/dbraw/zinc/83/37/08/346833708.db2.gz SFZVBQBNYDKEBO-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN CN(CCn1cccn1)[C@@H]1CCOC1 592818638 346833837 /nfs/dbraw/zinc/83/38/37/346833837.db2.gz XPQPHGMKPPNZAL-SNVBAGLBSA-N 0 3 195.266 0.604 20 0 ACADHN COCCN(C)[C@H]1CCOC1 592818616 346833881 /nfs/dbraw/zinc/83/38/81/346833881.db2.gz PGZQBOIOCDZPNG-QMMMGPOBSA-N 0 3 159.229 0.354 20 0 ACADHN COCCN(C)[C@@H]1CCOC1 592818615 346833961 /nfs/dbraw/zinc/83/39/61/346833961.db2.gz PGZQBOIOCDZPNG-MRVPVSSYSA-N 0 3 159.229 0.354 20 0 ACADHN CCOCCN(C)[C@@H]1CCOC1 592895197 346834358 /nfs/dbraw/zinc/83/43/58/346834358.db2.gz LUUCZBJUMOCPTA-SECBINFHSA-N 0 3 173.256 0.744 20 0 ACADHN CCOCCN(C)[C@H]1CCOC1 592895200 346834509 /nfs/dbraw/zinc/83/45/09/346834509.db2.gz LUUCZBJUMOCPTA-VIFPVBQESA-N 0 3 173.256 0.744 20 0 ACADHN CCSC1(CNC(=O)CN)CC1 595987353 346871851 /nfs/dbraw/zinc/87/18/51/346871851.db2.gz MNJQYKJSBZEWGL-UHFFFAOYSA-N 0 3 188.296 0.347 20 0 ACADHN C[C@H](CNC(=O)c1cc[nH]c1)N(C)C 597722235 346890739 /nfs/dbraw/zinc/89/07/39/346890739.db2.gz NUQDXTZBJMPUGY-MRVPVSSYSA-N 0 3 195.266 0.695 20 0 ACADHN C[C@@H](CNC(=O)c1cc[nH]c1)N(C)C 597722240 346891199 /nfs/dbraw/zinc/89/11/99/346891199.db2.gz NUQDXTZBJMPUGY-QMMMGPOBSA-N 0 3 195.266 0.695 20 0 ACADHN CN(CCN1CCOCC1)C1CC1 600627950 346913836 /nfs/dbraw/zinc/91/38/36/346913836.db2.gz XMRASYFCCGXMFU-UHFFFAOYSA-N 0 3 184.283 0.413 20 0 ACADHN CC[C@H]1CN(CCCO)C[C@@H](C)O1 600700807 346916004 /nfs/dbraw/zinc/91/60/04/346916004.db2.gz HKVCHSYGGZJXHP-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H]1CN(CCCO)C[C@@H](C)O1 600700801 346916019 /nfs/dbraw/zinc/91/60/19/346916019.db2.gz HKVCHSYGGZJXHP-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H]1CN(CCCO)C[C@H](C)O1 600700802 346916067 /nfs/dbraw/zinc/91/60/67/346916067.db2.gz HKVCHSYGGZJXHP-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN CCOCCN(C)CCn1cccn1 601070974 346920577 /nfs/dbraw/zinc/92/05/77/346920577.db2.gz QELARRASFSQFTB-UHFFFAOYSA-N 0 3 197.282 0.851 20 0 ACADHN CC[C@H](O)CN(C)CCn1cccn1 601071037 346920662 /nfs/dbraw/zinc/92/06/62/346920662.db2.gz XBDPCMMGTVULNP-JTQLQIEISA-N 0 3 197.282 0.586 20 0 ACADHN CCN(CC(=O)NC1CC1)CC1CC1 601832191 346924872 /nfs/dbraw/zinc/92/48/72/346924872.db2.gz USSVYCWEPCIPOL-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CCN(CC(=O)N1CCC1)CC1CC1 601832192 346925224 /nfs/dbraw/zinc/92/52/24/346925224.db2.gz UYJJPJWCJCZMBB-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN CCN[C@H](C)C(=O)NCCSC 602433737 346931828 /nfs/dbraw/zinc/93/18/28/346931828.db2.gz BSEQIKWFOPHOKC-SSDOTTSWSA-N 0 3 190.312 0.464 20 0 ACADHN CCN[C@@H](C)C(=O)NCCSC 602433738 346931866 /nfs/dbraw/zinc/93/18/66/346931866.db2.gz BSEQIKWFOPHOKC-ZETCQYMHSA-N 0 3 190.312 0.464 20 0 ACADHN CCCNCc1cc(C(=O)OC)no1 602503324 346934357 /nfs/dbraw/zinc/93/43/57/346934357.db2.gz MGXGOWZPOZKXOJ-UHFFFAOYSA-N 0 3 198.222 0.961 20 0 ACADHN CC(=O)CN[C@H](CCO)C(C)(C)C 602804478 346944738 /nfs/dbraw/zinc/94/47/38/346944738.db2.gz IIEVYCOXJMNIIB-SECBINFHSA-N 0 3 187.283 0.962 20 0 ACADHN COC[C@](C)(CO)NCCSC 602930737 346948311 /nfs/dbraw/zinc/94/83/11/346948311.db2.gz CIIMDJPKAPCXGN-QMMMGPOBSA-N 0 3 193.312 0.336 20 0 ACADHN COC[C@@](C)(CO)NCCSC 602930736 346948605 /nfs/dbraw/zinc/94/86/05/346948605.db2.gz CIIMDJPKAPCXGN-MRVPVSSYSA-N 0 3 193.312 0.336 20 0 ACADHN COCCN1CCN(C2CCC2)CC1 603556979 346956423 /nfs/dbraw/zinc/95/64/23/346956423.db2.gz FBIRJISSQQLHSS-UHFFFAOYSA-N 0 3 198.310 0.803 20 0 ACADHN CCN1CCC[C@@H](OCCO)C1 604387253 346962837 /nfs/dbraw/zinc/96/28/37/346962837.db2.gz ZKSNERNVNPTDGT-SECBINFHSA-N 0 3 173.256 0.480 20 0 ACADHN CCN1CCC[C@H](OCCO)C1 604387258 346962846 /nfs/dbraw/zinc/96/28/46/346962846.db2.gz ZKSNERNVNPTDGT-VIFPVBQESA-N 0 3 173.256 0.480 20 0 ACADHN CCCCN(C)[C@H]1CCN(C)C1=O 604758852 346965461 /nfs/dbraw/zinc/96/54/61/346965461.db2.gz AVVMWHDLAGZBFA-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN CCCCN(C)[C@@H]1CCN(C)C1=O 604758851 346965593 /nfs/dbraw/zinc/96/55/93/346965593.db2.gz AVVMWHDLAGZBFA-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CCN(Cc1cnn(C)c1)C[C@H](C)O 606440245 346982112 /nfs/dbraw/zinc/98/21/12/346982112.db2.gz PYZJXXLJIDEMNE-VIFPVBQESA-N 0 3 197.282 0.623 20 0 ACADHN CCN(Cc1cnn(C)c1)C[C@@H](C)O 606440244 346982627 /nfs/dbraw/zinc/98/26/27/346982627.db2.gz PYZJXXLJIDEMNE-SECBINFHSA-N 0 3 197.282 0.623 20 0 ACADHN C[C@@H]1CCCN1CC(=O)NCC1CC1 607044164 346987282 /nfs/dbraw/zinc/98/72/82/346987282.db2.gz CKHHPRPLIGXZNT-SECBINFHSA-N 0 3 196.294 0.997 20 0 ACADHN C[C@H]1CCCN1CC(=O)NCC1CC1 607044165 346987345 /nfs/dbraw/zinc/98/73/45/346987345.db2.gz CKHHPRPLIGXZNT-VIFPVBQESA-N 0 3 196.294 0.997 20 0 ACADHN COCCN(C)CCc1cnn(C)c1 607151074 346988795 /nfs/dbraw/zinc/98/87/95/346988795.db2.gz RAYNCXBNPVKEDU-UHFFFAOYSA-N 0 3 197.282 0.541 20 0 ACADHN OCCN(CCOCC1CC1)C1CC1 607726865 346992680 /nfs/dbraw/zinc/99/26/80/346992680.db2.gz ZNPREKGAJHFURY-UHFFFAOYSA-N 0 3 199.294 0.870 20 0 ACADHN OC[C@H]1CCCN1CCOCC1CC1 607727839 346992724 /nfs/dbraw/zinc/99/27/24/346992724.db2.gz RPVCYPQFYYJHOZ-LLVKDONJSA-N 0 3 199.294 0.870 20 0 ACADHN OC[C@@H]1CCCN1CCOCC1CC1 607735223 346995241 /nfs/dbraw/zinc/99/52/41/346995241.db2.gz RPVCYPQFYYJHOZ-NSHDSACASA-N 0 3 199.294 0.870 20 0 ACADHN COC[C@@H]1CN(CC(C)C)CCO1 607742667 346996402 /nfs/dbraw/zinc/99/64/02/346996402.db2.gz DUMKRKCBXZUUQB-JTQLQIEISA-N 0 3 187.283 0.990 20 0 ACADHN COC[C@H]1CN(CC(C)C)CCO1 607742668 346996548 /nfs/dbraw/zinc/99/65/48/346996548.db2.gz DUMKRKCBXZUUQB-SNVBAGLBSA-N 0 3 187.283 0.990 20 0 ACADHN CCN1CCN([C@H](C)COC)CC1 608491927 347002514 /nfs/dbraw/zinc/00/25/14/347002514.db2.gz MGAKNQYWFDDQSW-SNVBAGLBSA-N 0 3 186.299 0.659 20 0 ACADHN CCN1CCN([C@@H](C)COC)CC1 608491926 347002567 /nfs/dbraw/zinc/00/25/67/347002567.db2.gz MGAKNQYWFDDQSW-JTQLQIEISA-N 0 3 186.299 0.659 20 0 ACADHN CCN1CCN(CC2(C)COC2)CC1 608491905 347002857 /nfs/dbraw/zinc/00/28/57/347002857.db2.gz DPYAKTRHILYVRF-UHFFFAOYSA-N 0 3 198.310 0.660 20 0 ACADHN CN(CCC1CC1)CC(=O)NC1CC1 608491973 347003495 /nfs/dbraw/zinc/00/34/95/347003495.db2.gz GMULUYQZYJRYNW-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CNC(=O)[C@H]1CCCN1CCC1CC1 608493192 347004506 /nfs/dbraw/zinc/00/45/06/347004506.db2.gz MRWDLZVZIISERU-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CNC(=O)[C@@H]1CCCN1CCC1CC1 608493191 347004557 /nfs/dbraw/zinc/00/45/57/347004557.db2.gz MRWDLZVZIISERU-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN CC[C@@H](CO)N1CCN(CC)CC1 608506266 347008685 /nfs/dbraw/zinc/00/86/85/347008685.db2.gz VBKVYCWPQNDHNC-JTQLQIEISA-N 0 3 186.299 0.395 20 0 ACADHN CC[C@H](CO)N1CCN(CC)CC1 608506277 347008891 /nfs/dbraw/zinc/00/88/91/347008891.db2.gz VBKVYCWPQNDHNC-SNVBAGLBSA-N 0 3 186.299 0.395 20 0 ACADHN CCC1(O)CCN(CCOC)CC1 608500671 347009101 /nfs/dbraw/zinc/00/91/01/347009101.db2.gz CFQDBPHMKHOGIO-UHFFFAOYSA-N 0 3 187.283 0.870 20 0 ACADHN C[C@H]1CCN(CCNC(=O)N(C)C)C1 608580839 347012313 /nfs/dbraw/zinc/01/23/13/347012313.db2.gz IMNNEQMPPLVTSA-VIFPVBQESA-N 0 3 199.298 0.599 20 0 ACADHN C[C@@H]1CCN(CCNC(=O)C2CC2)C1 608613765 347012390 /nfs/dbraw/zinc/01/23/90/347012390.db2.gz LGKNDNIOLQFRFU-SECBINFHSA-N 0 3 196.294 0.854 20 0 ACADHN C[C@@H]1CCN(CCNC(=O)N(C)C)C1 608580838 347012458 /nfs/dbraw/zinc/01/24/58/347012458.db2.gz IMNNEQMPPLVTSA-SECBINFHSA-N 0 3 199.298 0.599 20 0 ACADHN C[C@H]1CCN(CCNC(=O)C2CC2)C1 608613768 347012939 /nfs/dbraw/zinc/01/29/39/347012939.db2.gz LGKNDNIOLQFRFU-VIFPVBQESA-N 0 3 196.294 0.854 20 0 ACADHN CN(C)CCN(C)C(=O)c1ncc[nH]1 611822600 347043418 /nfs/dbraw/zinc/04/34/18/347043418.db2.gz FQYAMEGOURBMDK-UHFFFAOYSA-N 0 3 196.254 0.043 20 0 ACADHN CN(C)CCN(C)C(=O)CCCF 611823036 347043293 /nfs/dbraw/zinc/04/32/93/347043293.db2.gz MJLHWBYZZMJEBY-UHFFFAOYSA-N 0 3 190.262 0.756 20 0 ACADHN CNC(=O)NCCN1CCCC[C@@H]1C 612572724 347050181 /nfs/dbraw/zinc/05/01/81/347050181.db2.gz FZGSFIALUUIMCC-VIFPVBQESA-N 0 3 199.298 0.790 20 0 ACADHN CNC(=O)NCCN1CCCC[C@H]1C 612572720 347050197 /nfs/dbraw/zinc/05/01/97/347050197.db2.gz FZGSFIALUUIMCC-SECBINFHSA-N 0 3 199.298 0.790 20 0 ACADHN CN(CC(=O)N1CCCC1)CC1CC1 613475708 347059955 /nfs/dbraw/zinc/05/99/55/347059955.db2.gz PSWKZLSVOOGECH-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN CN(CC(=O)NCC1CC1)CC1CC1 613475763 347060208 /nfs/dbraw/zinc/06/02/08/347060208.db2.gz WYFQVQCGABZTOT-UHFFFAOYSA-N 0 3 196.294 0.854 20 0 ACADHN COCCN(C)[C@@H](C)COC 613453716 347060259 /nfs/dbraw/zinc/06/02/59/347060259.db2.gz MVYYNNQEMGMTJQ-QMMMGPOBSA-N 0 3 161.245 0.600 20 0 ACADHN COCCN(C)[C@H](C)COC 613453714 347060355 /nfs/dbraw/zinc/06/03/55/347060355.db2.gz MVYYNNQEMGMTJQ-MRVPVSSYSA-N 0 3 161.245 0.600 20 0 ACADHN CCN(C)[C@@H](C)C[S@@](C)=O 613483907 347060680 /nfs/dbraw/zinc/06/06/80/347060680.db2.gz PDPHPIZGXHJGPV-OIBJUYFYSA-N 0 3 163.286 0.705 20 0 ACADHN COCCN1CCN(CC2CC2)CC1 613484944 347060704 /nfs/dbraw/zinc/06/07/04/347060704.db2.gz PZYMHNRVXAFJBD-UHFFFAOYSA-N 0 3 198.310 0.660 20 0 ACADHN CCN(C)[C@H](C)C[S@@](C)=O 613483906 347060824 /nfs/dbraw/zinc/06/08/24/347060824.db2.gz PDPHPIZGXHJGPV-GMSGAONNSA-N 0 3 163.286 0.705 20 0 ACADHN CCN(C)[C@H](C)C[S@](C)=O 613483908 347060910 /nfs/dbraw/zinc/06/09/10/347060910.db2.gz PDPHPIZGXHJGPV-XCBNKYQSSA-N 0 3 163.286 0.705 20 0 ACADHN CCN(C)[C@@H](C)C[S@](C)=O 613483909 347061031 /nfs/dbraw/zinc/06/10/31/347061031.db2.gz PDPHPIZGXHJGPV-XVKPBYJWSA-N 0 3 163.286 0.705 20 0 ACADHN C[C@@H](C(=O)NC1CC1)N(C)CC1CC1 613814971 347064134 /nfs/dbraw/zinc/06/41/34/347064134.db2.gz YREDIQQURLLSCR-QMMMGPOBSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H](C(=O)NC1CC1)N(C)CC1CC1 613814970 347064469 /nfs/dbraw/zinc/06/44/69/347064469.db2.gz YREDIQQURLLSCR-MRVPVSSYSA-N 0 3 196.294 0.995 20 0 ACADHN CCN(C)CCN1CCCC1=O 614051678 347067006 /nfs/dbraw/zinc/06/70/06/347067006.db2.gz MYYYKNTWROPPSI-UHFFFAOYSA-N 0 3 170.256 0.561 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)c1ncc[nH]1 614840009 347075144 /nfs/dbraw/zinc/07/51/44/347075144.db2.gz WTVKYLBGPHQPQM-ZETCQYMHSA-N 0 3 196.254 0.090 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)CCCF 614838076 347075346 /nfs/dbraw/zinc/07/53/46/347075346.db2.gz BNJZSUWEKMIGPJ-QMMMGPOBSA-N 0 3 190.262 0.802 20 0 ACADHN C[C@@H](CNC(=O)c1ncc[nH]1)N(C)C 616487132 347093684 /nfs/dbraw/zinc/09/36/84/347093684.db2.gz PWACDRKBPPXMIT-ZETCQYMHSA-N 0 3 196.254 0.090 20 0 ACADHN C[C@@H](CNC(=O)C1CC(=O)C1)N(C)C 616488272 347093731 /nfs/dbraw/zinc/09/37/31/347093731.db2.gz DAIPHXBCDOFMPF-ZETCQYMHSA-N 0 3 198.266 0.032 20 0 ACADHN C[C@@H](CNC(=O)c1ccon1)N(C)C 616488335 347093807 /nfs/dbraw/zinc/09/38/07/347093807.db2.gz KKJGDFHPLLLFAO-ZETCQYMHSA-N 0 3 197.238 0.355 20 0 ACADHN C[C@@H](CNC(=O)c1cnco1)N(C)C 616488259 347093860 /nfs/dbraw/zinc/09/38/60/347093860.db2.gz CIYUMZYNSRZCSM-ZETCQYMHSA-N 0 3 197.238 0.355 20 0 ACADHN C[C@@H](CNC(=O)CCCF)N(C)C 616486682 347093871 /nfs/dbraw/zinc/09/38/71/347093871.db2.gz CJUDRBAXYKZYNT-QMMMGPOBSA-N 0 3 190.262 0.802 20 0 ACADHN OCCN1CCC(n2ccnc2)CC1 616619385 347125130 /nfs/dbraw/zinc/12/51/30/347125130.db2.gz ISBOJJCZXGCAAG-UHFFFAOYSA-N 0 3 195.266 0.512 20 0 ACADHN OCCN1CCC[C@H](n2ccnc2)C1 616618500 347125456 /nfs/dbraw/zinc/12/54/56/347125456.db2.gz XRKHXZYBRQJHBS-JTQLQIEISA-N 0 3 195.266 0.512 20 0 ACADHN OCCN1CCC(c2cn[nH]c2)CC1 616619615 347126133 /nfs/dbraw/zinc/12/61/33/347126133.db2.gz PEEOKLJZUFZQML-UHFFFAOYSA-N 0 3 195.266 0.581 20 0 ACADHN OCCN1CCC(c2ncco2)CC1 616620394 347126315 /nfs/dbraw/zinc/12/63/15/347126315.db2.gz ZLYDOPXDIMIXFT-UHFFFAOYSA-N 0 3 196.250 0.846 20 0 ACADHN OCCN1CCC[C@@H](n2ccnc2)C1 616621754 347127282 /nfs/dbraw/zinc/12/72/82/347127282.db2.gz XRKHXZYBRQJHBS-SNVBAGLBSA-N 0 3 195.266 0.512 20 0 ACADHN COC(=O)N1CCN[C@H](C(C)C)C1 616632675 347134522 /nfs/dbraw/zinc/13/45/22/347134522.db2.gz URBXLLATFVYRSJ-QMMMGPOBSA-N 0 3 186.255 0.683 20 0 ACADHN COC(=O)N1CCN[C@@H](C(C)C)C1 616633395 347135487 /nfs/dbraw/zinc/13/54/87/347135487.db2.gz URBXLLATFVYRSJ-MRVPVSSYSA-N 0 3 186.255 0.683 20 0 ACADHN COC(=O)CCN(C)Cc1cnc[nH]1 619510832 347201497 /nfs/dbraw/zinc/20/14/97/347201497.db2.gz HBJVFWWAJNHFDI-UHFFFAOYSA-N 0 3 197.238 0.405 20 0 ACADHN COC[C@H](C)N(C)CCn1cccn1 619724842 347205061 /nfs/dbraw/zinc/20/50/61/347205061.db2.gz LFVIIXOJILGOID-JTQLQIEISA-N 0 3 197.282 0.850 20 0 ACADHN CN(CC(=O)N(C)C1CC1)CC1CC1 619724968 347205135 /nfs/dbraw/zinc/20/51/35/347205135.db2.gz IZTUVSBNIZTKIA-UHFFFAOYSA-N 0 3 196.294 0.949 20 0 ACADHN COCCN(C)CCn1cccn1 619726000 347205151 /nfs/dbraw/zinc/20/51/51/347205151.db2.gz UNEAFEXQNVVQRP-UHFFFAOYSA-N 0 3 183.255 0.461 20 0 ACADHN COC[C@@H](C)N(C)CCn1cccn1 619724843 347205247 /nfs/dbraw/zinc/20/52/47/347205247.db2.gz LFVIIXOJILGOID-SNVBAGLBSA-N 0 3 197.282 0.850 20 0 ACADHN CN(CCn1cccn1)C1CC1 619724283 347205297 /nfs/dbraw/zinc/20/52/97/347205297.db2.gz KBJMWXFOBDSVOV-UHFFFAOYSA-N 0 3 165.240 0.977 20 0 ACADHN CCN(CCOC)CCn1cccn1 619731125 347205328 /nfs/dbraw/zinc/20/53/28/347205328.db2.gz OPLVLYYCBQVHMJ-UHFFFAOYSA-N 0 3 197.282 0.851 20 0 ACADHN CCN(C)CCn1cccn1 619726003 347205550 /nfs/dbraw/zinc/20/55/50/347205550.db2.gz VEJOPZNIVGUCBS-UHFFFAOYSA-N 0 3 153.229 0.835 20 0 ACADHN C[C@@H]1C[C@H]1C(=O)NCCN(C)C1CC1 620040048 347207212 /nfs/dbraw/zinc/20/72/12/347207212.db2.gz QKMUYSCMMODMAS-PSASIEDQSA-N 0 3 196.294 0.853 20 0 ACADHN CN(CCNC(=O)C1CCC1)C1CC1 620040052 347207227 /nfs/dbraw/zinc/20/72/27/347207227.db2.gz QVHUERYZFGMSDJ-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN C[C@H]1C[C@H]1C(=O)NCCN(C)C1CC1 620040050 347207340 /nfs/dbraw/zinc/20/73/40/347207340.db2.gz QKMUYSCMMODMAS-WCBMZHEXSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@H]1C[C@@H]1C(=O)NCCN(C)C1CC1 620040051 347207376 /nfs/dbraw/zinc/20/73/76/347207376.db2.gz QKMUYSCMMODMAS-WPRPVWTQSA-N 0 3 196.294 0.853 20 0 ACADHN CN(CCNC(=O)CC1CC1)C1CC1 620040196 347207417 /nfs/dbraw/zinc/20/74/17/347207417.db2.gz CDPOHGPWVDCNLY-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN C[C@@H]1C[C@@H]1C(=O)NCCN(C)C1CC1 620040049 347207446 /nfs/dbraw/zinc/20/74/46/347207446.db2.gz QKMUYSCMMODMAS-SCZZXKLOSA-N 0 3 196.294 0.853 20 0 ACADHN Cc1c[nH]cc1C(=O)NCCN(C)C 620098957 347210404 /nfs/dbraw/zinc/21/04/04/347210404.db2.gz SZTJWOSAWQUSHL-UHFFFAOYSA-N 0 3 195.266 0.615 20 0 ACADHN C[C@@H]1C[C@H]1C(=O)NC[C@H]1CCCN1C 620220328 347211685 /nfs/dbraw/zinc/21/16/85/347211685.db2.gz KTYPQWWSCYCEHM-OPRDCNLKSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@@H]1C[C@@H]1C(=O)NC[C@H]1CCCN1C 620220326 347211757 /nfs/dbraw/zinc/21/17/57/347211757.db2.gz KTYPQWWSCYCEHM-BBBLOLIVSA-N 0 3 196.294 0.853 20 0 ACADHN CN1CCC[C@@H]1CNC(=O)C1CCC1 620220382 347211781 /nfs/dbraw/zinc/21/17/81/347211781.db2.gz OLIBJXFDKRFWKW-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CN1CCC[C@@H]1CNC(=O)CC1CC1 620220059 347211872 /nfs/dbraw/zinc/21/18/72/347211872.db2.gz XAMCGNZSILFQMD-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN C[C@H]1C[C@@H]1C(=O)NC1CCN(C)CC1 620879189 347220196 /nfs/dbraw/zinc/22/01/96/347220196.db2.gz UPLMYNTXGHGADD-WPRPVWTQSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@@H]1C[C@@H]1C(=O)NC1CCN(C)CC1 620879187 347220293 /nfs/dbraw/zinc/22/02/93/347220293.db2.gz UPLMYNTXGHGADD-SCZZXKLOSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@H]1C[C@H]1C(=O)NC1CCN(C)CC1 620879188 347220411 /nfs/dbraw/zinc/22/04/11/347220411.db2.gz UPLMYNTXGHGADD-WCBMZHEXSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@@H]1C[C@H]1C(=O)NC1CCN(C)CC1 620879186 347220429 /nfs/dbraw/zinc/22/04/29/347220429.db2.gz UPLMYNTXGHGADD-PSASIEDQSA-N 0 3 196.294 0.853 20 0 ACADHN CCCN(C)CCN1CCCC1=O 621323377 347225627 /nfs/dbraw/zinc/22/56/27/347225627.db2.gz RIRROIRSHHPJBK-UHFFFAOYSA-N 0 3 184.283 0.951 20 0 ACADHN CCOc1cncc(CNCCO)c1 621326515 347226915 /nfs/dbraw/zinc/22/69/15/347226915.db2.gz KTRXQFUWWIKOIE-UHFFFAOYSA-N 0 3 196.250 0.562 20 0 ACADHN CC1CC(CNCc2cnnn2C)C1 621383644 347228383 /nfs/dbraw/zinc/22/83/83/347228383.db2.gz PKZKGNCKECQSSJ-UHFFFAOYSA-N 0 3 194.282 0.951 20 0 ACADHN CC1CC(CNCc2cn(C)nn2)C1 621383677 347228595 /nfs/dbraw/zinc/22/85/95/347228595.db2.gz QABZTWAWLVGHRH-UHFFFAOYSA-N 0 3 194.282 0.951 20 0 ACADHN CC[C@H](N)C(=O)NCC1CC(C)C1 621672878 347229736 /nfs/dbraw/zinc/22/97/36/347229736.db2.gz XIBZBRUCDVYGHF-HACHORDNSA-N 0 3 184.283 0.886 20 0 ACADHN CC1CC(CNC(=O)C2(N)CC2)C1 621676514 347229810 /nfs/dbraw/zinc/22/98/10/347229810.db2.gz QJNUAGJLELJUOF-UHFFFAOYSA-N 0 3 182.267 0.640 20 0 ACADHN CC1CC(CNC(=O)C(C)(C)N)C1 621672806 347229839 /nfs/dbraw/zinc/22/98/39/347229839.db2.gz URQATWAFQWLTCQ-UHFFFAOYSA-N 0 3 184.283 0.886 20 0 ACADHN CC[C@@H](N)C(=O)NCC1CC(C)C1 621672877 347229894 /nfs/dbraw/zinc/22/98/94/347229894.db2.gz XIBZBRUCDVYGHF-AMDVSUOASA-N 0 3 184.283 0.886 20 0 ACADHN CC1CC(CNC(=O)[C@@H](C)N)C1 621672563 347229974 /nfs/dbraw/zinc/22/99/74/347229974.db2.gz JZRPUGIFULQTHQ-ZUEIMRROSA-N 0 3 170.256 0.496 20 0 ACADHN CN[C@@H](C)C(=O)NCC1CC(C)C1 621672315 347229993 /nfs/dbraw/zinc/22/99/93/347229993.db2.gz ALVAVMRCIKBEBO-MGURRDGZSA-N 0 3 184.283 0.757 20 0 ACADHN CC1CC(CNC(=O)CNC2CC2)C1 621672796 347230065 /nfs/dbraw/zinc/23/00/65/347230065.db2.gz UEEYUCAIVCWEMF-UHFFFAOYSA-N 0 3 196.294 0.901 20 0 ACADHN CNCC(=O)NCC1CC(C)C1 621672949 347230234 /nfs/dbraw/zinc/23/02/34/347230234.db2.gz ZJRKFCHKWMDNGD-UHFFFAOYSA-N 0 3 170.256 0.368 20 0 ACADHN CC1CC(CNC(=O)[C@H](C)N)C1 621672562 347230245 /nfs/dbraw/zinc/23/02/45/347230245.db2.gz JZRPUGIFULQTHQ-WTIBDHCWSA-N 0 3 170.256 0.496 20 0 ACADHN CCOCCN1CCCOCC1 621739969 347232316 /nfs/dbraw/zinc/23/23/16/347232316.db2.gz JTJULFFMWXDGRW-UHFFFAOYSA-N 0 3 173.256 0.745 20 0 ACADHN CN(C)CCNC(=O)[C@@H]1CC1(F)F 622275313 347242189 /nfs/dbraw/zinc/24/21/89/347242189.db2.gz XGKIRLFTMIKAGD-LURJTMIESA-N 0 3 192.209 0.319 20 0 ACADHN CN(C)CCNC(=O)[C@H]1CC1(F)F 622275314 347242302 /nfs/dbraw/zinc/24/23/02/347242302.db2.gz XGKIRLFTMIKAGD-ZCFIWIBFSA-N 0 3 192.209 0.319 20 0 ACADHN CN(C)CCNC(=O)c1ccsn1 622275337 347242574 /nfs/dbraw/zinc/24/25/74/347242574.db2.gz XWWGREUHRSAONE-UHFFFAOYSA-N 0 3 199.279 0.435 20 0 ACADHN C[C@H](CNC(=O)c1ccon1)N(C)C 622338906 347243708 /nfs/dbraw/zinc/24/37/08/347243708.db2.gz KKJGDFHPLLLFAO-SSDOTTSWSA-N 0 3 197.238 0.355 20 0 ACADHN CNC(=O)CN(C)C(C1CC1)C1CC1 622911306 347251009 /nfs/dbraw/zinc/25/10/09/347251009.db2.gz JDISHLDCICPXLF-UHFFFAOYSA-N 0 3 196.294 0.853 20 0 ACADHN CC(=O)Nc1ccn(CCN(C)C)n1 623176455 347253756 /nfs/dbraw/zinc/25/37/56/347253756.db2.gz YHKQCQHTBJALHU-UHFFFAOYSA-N 0 3 196.254 0.403 20 0 ACADHN CCn1nncc1CNCC1CC1 623583784 347258741 /nfs/dbraw/zinc/25/87/41/347258741.db2.gz HEIPRVSVJKVWIP-UHFFFAOYSA-N 0 3 180.255 0.798 20 0 ACADHN Cc1c[nH]nc1CNC[C@H]1C[C@@H](O)C1 623748650 347262516 /nfs/dbraw/zinc/26/25/16/347262516.db2.gz BKMAXKAGWAPJRW-DTORHVGOSA-N 0 3 195.266 0.579 20 0 ACADHN Cc1c[nH]c(CNC[C@H]2C[C@@H](O)C2)n1 623748787 347262768 /nfs/dbraw/zinc/26/27/68/347262768.db2.gz IVEXAKQWUDINBH-DTORHVGOSA-N 0 3 195.266 0.579 20 0 ACADHN Cn1cc(CNC[C@H]2C[C@@H](O)C2)cn1 623750394 347263099 /nfs/dbraw/zinc/26/30/99/347263099.db2.gz FZCNOKDAPXHUKV-WAAGHKOSSA-N 0 3 195.266 0.281 20 0 ACADHN O[C@H]1C[C@@H](CNCc2cccnc2)C1 623751319 347263183 /nfs/dbraw/zinc/26/31/83/347263183.db2.gz SGHHXDFWSKUBLX-PHIMTYICSA-N 0 3 192.262 0.942 20 0 ACADHN O[C@H]1C[C@@H](CNCc2cc[nH]n2)C1 623750395 347263238 /nfs/dbraw/zinc/26/32/38/347263238.db2.gz GBRGHFOGBZBPGT-OTSSQURYSA-N 0 3 181.239 0.270 20 0 ACADHN Cc1n[nH]cc1CNC[C@H]1C[C@@H](O)C1 623750816 347263340 /nfs/dbraw/zinc/26/33/40/347263340.db2.gz WNEZAOPCVSQXHA-WAAGHKOSSA-N 0 3 195.266 0.579 20 0 ACADHN Cn1ccc(CNC[C@H]2C[C@@H](O)C2)n1 623750754 347263486 /nfs/dbraw/zinc/26/34/86/347263486.db2.gz STSYBLPVKRIZHM-WAAGHKOSSA-N 0 3 195.266 0.281 20 0 ACADHN O[C@H]1C[C@@H](CNCc2ccccn2)C1 623751309 347263643 /nfs/dbraw/zinc/26/36/43/347263643.db2.gz SCKZVDMASXVBBJ-JGZJWPJOSA-N 0 3 192.262 0.942 20 0 ACADHN O[C@@H]1COCC[C@H]1NCc1cc[nH]c1 623764724 347264078 /nfs/dbraw/zinc/26/40/78/347264078.db2.gz JGZYGMDGGFYCNY-NXEZZACHSA-N 0 3 196.250 0.254 20 0 ACADHN COC[C@H](C)NCc1ccc[nH]c1=O 623777557 347264108 /nfs/dbraw/zinc/26/41/08/347264108.db2.gz JZQSYLBJBXJPRV-QMMMGPOBSA-N 0 3 196.250 0.912 20 0 ACADHN COC[C@@H](C)NCc1ccc[nH]c1=O 623777556 347264170 /nfs/dbraw/zinc/26/41/70/347264170.db2.gz JZQSYLBJBXJPRV-MRVPVSSYSA-N 0 3 196.250 0.912 20 0 ACADHN O[C@@H]1COCC[C@H]1NCc1ccco1 623765351 347264265 /nfs/dbraw/zinc/26/42/65/347264265.db2.gz RRRSOFUIJQOUPZ-NXEZZACHSA-N 0 3 197.234 0.519 20 0 ACADHN CO[C@H]1C[C@H](NCc2ccnn2C)C1 623806708 347264366 /nfs/dbraw/zinc/26/43/66/347264366.db2.gz CQIBACXZHKDVLJ-CZMCAQCFSA-N 0 3 195.266 0.687 20 0 ACADHN CO[C@H]1C[C@H](NCc2n[nH]cc2C)C1 623808371 347264800 /nfs/dbraw/zinc/26/48/00/347264800.db2.gz OKFTWGVLIPHHLG-KYZUINATSA-N 0 3 195.266 0.985 20 0 ACADHN CO[C@H]1C[C@H](NCc2cncn2C)C1 623807581 347264898 /nfs/dbraw/zinc/26/48/98/347264898.db2.gz KMUJRLMOHHGERC-CZMCAQCFSA-N 0 3 195.266 0.687 20 0 ACADHN CO[C@H]1C[C@H](NCc2c[nH]nc2C)C1 623807854 347264918 /nfs/dbraw/zinc/26/49/18/347264918.db2.gz VSIWVBOABWLRAK-MGCOHNPYSA-N 0 3 195.266 0.985 20 0 ACADHN CO[C@H]1C[C@H](NCc2cnn(C)c2)C1 623807198 347265024 /nfs/dbraw/zinc/26/50/24/347265024.db2.gz WDLKHLMMVAZEEI-MGCOHNPYSA-N 0 3 195.266 0.687 20 0 ACADHN CO[C@H]1C[C@H](NCc2cnnn2C)C1 623807427 347265075 /nfs/dbraw/zinc/26/50/75/347265075.db2.gz CQILVXXQYSAMED-XWEPSHTISA-N 0 3 196.254 0.082 20 0 ACADHN CC1(Nc2nc(N)nc(N)n2)CCC1 624061552 347269231 /nfs/dbraw/zinc/26/92/31/347269231.db2.gz BMIOEDJSARYQHW-UHFFFAOYSA-N 0 3 194.242 0.051 20 0 ACADHN C[C@H](NC[C@H]1C[C@@H](O)C1)c1cn[nH]c1 624216919 347274169 /nfs/dbraw/zinc/27/41/69/347274169.db2.gz VHIQSMCAETVJAU-OYNCUSHFSA-N 0 3 195.266 0.831 20 0 ACADHN C[C@@H](NC[C@H]1C[C@@H](O)C1)c1cn[nH]c1 624216918 347274293 /nfs/dbraw/zinc/27/42/93/347274293.db2.gz VHIQSMCAETVJAU-MRTMQBJTSA-N 0 3 195.266 0.831 20 0 ACADHN CCC1(Nc2nc(N)nc(N)n2)CC1 624249548 347275592 /nfs/dbraw/zinc/27/55/92/347275592.db2.gz NISOTZGZFBMGLK-UHFFFAOYSA-N 0 3 194.242 0.051 20 0 ACADHN C[C@H]1CCN(CC(=O)NCC2CC2)C1 624771868 347281588 /nfs/dbraw/zinc/28/15/88/347281588.db2.gz SPUNAZLLJWVVSR-VIFPVBQESA-N 0 3 196.294 0.854 20 0 ACADHN C[C@@H]1CCN(CC(=O)NCC2CC2)C1 624771866 347281683 /nfs/dbraw/zinc/28/16/83/347281683.db2.gz SPUNAZLLJWVVSR-SECBINFHSA-N 0 3 196.294 0.854 20 0 ACADHN CC(C)=CCCN1C[C@H](O)[C@@H](O)C1 625713584 347291165 /nfs/dbraw/zinc/29/11/65/347291165.db2.gz LMUOWTFPFJKTNU-UWVGGRQHSA-N 0 3 185.267 0.380 20 0 ACADHN O[C@H]1CN(CCCC2CCC2)C[C@@H]1O 625713362 347291230 /nfs/dbraw/zinc/29/12/30/347291230.db2.gz AYNQPIPHIQDIPY-QWRGUYRKSA-N 0 3 199.294 0.604 20 0 ACADHN OCC1(CN(C2CC2)C2CC2)COC1 625838671 347293192 /nfs/dbraw/zinc/29/31/92/347293192.db2.gz IGTQBDAKJGSDLE-UHFFFAOYSA-N 0 3 197.278 0.622 20 0 ACADHN OCCOCCN(C1CC1)C1CC1 625839387 347293240 /nfs/dbraw/zinc/29/32/40/347293240.db2.gz YPOGFLOAZCYAQP-UHFFFAOYSA-N 0 3 185.267 0.622 20 0 ACADHN O=C1CC[C@@H](CN(C2CC2)C2CC2)N1 625841812 347293868 /nfs/dbraw/zinc/29/38/68/347293868.db2.gz QYQQRYUZVMHMFS-QMMMGPOBSA-N 0 3 194.278 0.892 20 0 ACADHN CN(Cc1cn[nH]c1)C[C@H]1C[C@@H](O)C1 626046999 347296641 /nfs/dbraw/zinc/29/66/41/347296641.db2.gz ZUJNMBZFOBWXGP-WAAGHKOSSA-N 0 3 195.266 0.612 20 0 ACADHN CCN(C(C)=O)C1CCN(C)CC1 627621370 347305627 /nfs/dbraw/zinc/30/56/27/347305627.db2.gz QJZMSYFMCRRMPE-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN Cc1ncc(CN[C@@H](C)CCO)o1 628218077 347309774 /nfs/dbraw/zinc/30/97/74/347309774.db2.gz SQCYAGMAKVMVTL-ZETCQYMHSA-N 0 3 184.239 0.844 20 0 ACADHN Cc1ncc(CN[C@H](C)CCO)o1 628218076 347310321 /nfs/dbraw/zinc/31/03/21/347310321.db2.gz SQCYAGMAKVMVTL-SSDOTTSWSA-N 0 3 184.239 0.844 20 0 ACADHN Cc1c[nH]c(CN(C)CCN(C)C)n1 628277279 347313583 /nfs/dbraw/zinc/31/35/83/347313583.db2.gz LSWJMQCGWUJUPR-UHFFFAOYSA-N 0 3 196.298 0.712 20 0 ACADHN Cn1cc(CN2C[C@H]3C[C@H]3C2)cn1 628408235 347316308 /nfs/dbraw/zinc/31/63/08/347316308.db2.gz WAHYAUKYYQVRKV-AOOOYVTPSA-N 0 3 177.251 0.872 20 0 ACADHN c1n[nH]cc1CN1C[C@H]2C[C@H]2C1 628409222 347316805 /nfs/dbraw/zinc/31/68/05/347316805.db2.gz ODKUSZJINWESLK-DTORHVGOSA-N 0 3 163.224 0.861 20 0 ACADHN C[C@H]1C[C@@H]1C(=O)NC[C@H]1CCCN1C 628646897 347323099 /nfs/dbraw/zinc/32/30/99/347323099.db2.gz KTYPQWWSCYCEHM-AEJSXWLSSA-N 0 3 196.294 0.853 20 0 ACADHN CN1CCC[C@H]1C(=O)N1C[C@H]2C[C@H]2C1 628509493 347320521 /nfs/dbraw/zinc/32/05/21/347320521.db2.gz MKPLBMNIFGOUNL-AEJSXWLSSA-N 0 3 194.278 0.559 20 0 ACADHN CN1CCC[C@@H]1C(=O)N1C[C@H]2C[C@H]2C1 628509494 347320526 /nfs/dbraw/zinc/32/05/26/347320526.db2.gz MKPLBMNIFGOUNL-KXUCPTDWSA-N 0 3 194.278 0.559 20 0 ACADHN CCCN(C)CC(=O)N1C[C@H]2C[C@H]2C1 628510087 347320553 /nfs/dbraw/zinc/32/05/53/347320553.db2.gz VKAAETDKHZBTNW-AOOOYVTPSA-N 0 3 196.294 0.807 20 0 ACADHN CCN(CC)CC(=O)N1C[C@H]2C[C@H]2C1 628508210 347320584 /nfs/dbraw/zinc/32/05/84/347320584.db2.gz PVSKIEYRLPXGRW-AOOOYVTPSA-N 0 3 196.294 0.807 20 0 ACADHN CC[C@@H](C(=O)N1C[C@H]2C[C@H]2C1)N(C)C 628513277 347321284 /nfs/dbraw/zinc/32/12/84/347321284.db2.gz XSTGOHSOUJGHHI-AEJSXWLSSA-N 0 3 196.294 0.805 20 0 ACADHN CC[C@H](C(=O)N1C[C@H]2C[C@H]2C1)N(C)C 628513278 347321302 /nfs/dbraw/zinc/32/13/02/347321302.db2.gz XSTGOHSOUJGHHI-KXUCPTDWSA-N 0 3 196.294 0.805 20 0 ACADHN C[C@H]1C[C@H]1C(=O)NC[C@H]1CCCN1C 628646898 347323001 /nfs/dbraw/zinc/32/30/01/347323001.db2.gz KTYPQWWSCYCEHM-IVZWLZJFSA-N 0 3 196.294 0.853 20 0 ACADHN CC[C@@H](O)CNCc1cnnn1CC 629595195 347351883 /nfs/dbraw/zinc/35/18/83/347351883.db2.gz NTJCGAHVZUQMED-SECBINFHSA-N 0 3 198.270 0.159 20 0 ACADHN CC[C@@H](O)CNCc1ccc[nH]c1=O 629615315 347352361 /nfs/dbraw/zinc/35/23/61/347352361.db2.gz UZRPLXAJFOIKHJ-SECBINFHSA-N 0 3 196.250 0.648 20 0 ACADHN CC[C@H](O)CNCc1ccc[nH]c1=O 629615558 347353071 /nfs/dbraw/zinc/35/30/71/347353071.db2.gz UZRPLXAJFOIKHJ-VIFPVBQESA-N 0 3 196.250 0.648 20 0 ACADHN CN(C)CCNC(=O)C1CSC1 630408367 347364112 /nfs/dbraw/zinc/36/41/12/347364112.db2.gz LFKFUYDZYFSWFZ-UHFFFAOYSA-N 0 3 188.296 0.027 20 0 ACADHN CCOCCNCc1ccc(=O)[nH]c1 631044215 347376236 /nfs/dbraw/zinc/37/62/36/347376236.db2.gz HCDOCHIFPDMQSP-UHFFFAOYSA-N 0 3 196.250 0.913 20 0 ACADHN O=c1ccc(CNC/C=C/CO)c[nH]1 631170731 347376980 /nfs/dbraw/zinc/37/69/80/347376980.db2.gz CGNAHVSGLREOBU-OWOJBTEDSA-N 0 3 194.234 0.425 20 0 ACADHN O=c1ccc(CNC/C=C\CO)c[nH]1 631170735 347377053 /nfs/dbraw/zinc/37/70/53/347377053.db2.gz CGNAHVSGLREOBU-UPHRSURJSA-N 0 3 194.234 0.425 20 0 ACADHN O=c1ccc(CN[C@H]2C[C@H](O)C2)c[nH]1 631179831 347377199 /nfs/dbraw/zinc/37/71/99/347377199.db2.gz YAGXULYWIQSENH-KYZUINATSA-N 0 3 194.234 0.400 20 0 ACADHN OC[C@H]1C[C@@H](NCc2ccccn2)C1 631198758 347379287 /nfs/dbraw/zinc/37/92/87/347379287.db2.gz FOXMQSRYOKBKIZ-JGZJWPJOSA-N 0 3 192.262 0.942 20 0 ACADHN OC[C@H]1C[C@@H](NCc2cccnc2)C1 631201109 347379383 /nfs/dbraw/zinc/37/93/83/347379383.db2.gz VABNHKCUYWOMJC-PHIMTYICSA-N 0 3 192.262 0.942 20 0 ACADHN Cn1cc(CN[C@H]2C[C@@H](CO)C2)cn1 631199164 347379445 /nfs/dbraw/zinc/37/94/45/347379445.db2.gz NWHFFSCBBDSWTR-WAAGHKOSSA-N 0 3 195.266 0.281 20 0 ACADHN OC[C@H]1C[C@@H](NCc2ccncc2)C1 631200140 347379468 /nfs/dbraw/zinc/37/94/68/347379468.db2.gz YLZYAROBOVQSIH-PHIMTYICSA-N 0 3 192.262 0.942 20 0 ACADHN Cc1n[nH]cc1CN[C@H]1C[C@@H](CO)C1 631198792 347379496 /nfs/dbraw/zinc/37/94/96/347379496.db2.gz MAADCGMYMRKQIH-WAAGHKOSSA-N 0 3 195.266 0.579 20 0 ACADHN Cc1c[nH]nc1CN[C@H]1C[C@@H](CO)C1 631199165 347379544 /nfs/dbraw/zinc/37/95/44/347379544.db2.gz XVTIODAFYFCFPE-DTORHVGOSA-N 0 3 195.266 0.579 20 0 ACADHN Cn1nccc1CN[C@H]1C[C@@H](CO)C1 631199222 347379626 /nfs/dbraw/zinc/37/96/26/347379626.db2.gz PBBNQAQRSCQUFT-DTORHVGOSA-N 0 3 195.266 0.281 20 0 ACADHN Cn1cccc1CN[C@H]1C[C@@H](CO)C1 631199174 347379657 /nfs/dbraw/zinc/37/96/57/347379657.db2.gz OBDIZGLGFRVLLO-AOOOYVTPSA-N 0 3 194.278 0.886 20 0 ACADHN O[C@@H]1CCOC[C@H]1NCc1cc[nH]c1 631272479 347381069 /nfs/dbraw/zinc/38/10/69/347381069.db2.gz YWCITIHRNJEQKS-NXEZZACHSA-N 0 3 196.250 0.254 20 0 ACADHN C[C@@H](N[C@H]1C[C@@H](CO)C1)c1cn[nH]c1 631674848 347386491 /nfs/dbraw/zinc/38/64/91/347386491.db2.gz YUFHDSJRKCLMNL-MRTMQBJTSA-N 0 3 195.266 0.831 20 0 ACADHN C[C@H](N[C@H]1C[C@@H](CO)C1)c1cn[nH]c1 631674850 347386609 /nfs/dbraw/zinc/38/66/09/347386609.db2.gz YUFHDSJRKCLMNL-OYNCUSHFSA-N 0 3 195.266 0.831 20 0 ACADHN C[C@@H](N[C@H]1CCC[C@@H]1O)c1cn[nH]c1 631742119 347387215 /nfs/dbraw/zinc/38/72/15/347387215.db2.gz KBGJYZAQNVGZMA-JEZHCXPESA-N 0 3 195.266 0.974 20 0 ACADHN CNC(=O)N[C@H]1CCCN(C(C)C)C1 632224367 347394976 /nfs/dbraw/zinc/39/49/76/347394976.db2.gz BWGDVBXXIOSESQ-VIFPVBQESA-N 0 3 199.298 0.788 20 0 ACADHN CNC(=O)N[C@@H]1CCCN(C(C)C)C1 632224366 347395331 /nfs/dbraw/zinc/39/53/31/347395331.db2.gz BWGDVBXXIOSESQ-SECBINFHSA-N 0 3 199.298 0.788 20 0 ACADHN CCN(C(=O)NC)C1CCN(C)CC1 632408663 347395650 /nfs/dbraw/zinc/39/56/50/347395650.db2.gz QBEGRVDVPCSMOA-UHFFFAOYSA-N 0 3 199.298 0.742 20 0 ACADHN c1n[nH]cc1CN1C[C@H]2COC[C@H]2C1 634745012 347427592 /nfs/dbraw/zinc/42/75/92/347427592.db2.gz SGZIOTBACVAUHI-AOOOYVTPSA-N 0 3 193.250 0.488 20 0 ACADHN c1nc(CN2C[C@H]3COC[C@H]3C2)c[nH]1 634779832 347428246 /nfs/dbraw/zinc/42/82/46/347428246.db2.gz HWRLTYCFJGLGAO-DTORHVGOSA-N 0 3 193.250 0.488 20 0 ACADHN c1ncc(CN2C[C@H]3COC[C@H]3C2)[nH]1 634779832 347428249 /nfs/dbraw/zinc/42/82/49/347428249.db2.gz HWRLTYCFJGLGAO-DTORHVGOSA-N 0 3 193.250 0.488 20 0 ACADHN C[C@@H](CNCc1ccon1)N(C)C 634958930 347428815 /nfs/dbraw/zinc/42/88/15/347428815.db2.gz CQEJLKQSMBSAJT-QMMMGPOBSA-N 0 3 183.255 0.714 20 0 ACADHN C[C@H](CNCc1ccon1)N(C)C 634958929 347428826 /nfs/dbraw/zinc/42/88/26/347428826.db2.gz CQEJLKQSMBSAJT-MRVPVSSYSA-N 0 3 183.255 0.714 20 0 ACADHN CN(C)C1(CNCc2ccon2)CC1 634984653 347432082 /nfs/dbraw/zinc/43/20/82/347432082.db2.gz YCSNKJVRDLKMRH-UHFFFAOYSA-N 0 3 195.266 0.858 20 0 ACADHN NC(=O)[C@@H]1CCN1C1CCCC1 635097664 347438881 /nfs/dbraw/zinc/43/88/81/347438881.db2.gz RMLJGMWYSMHGSL-QMMMGPOBSA-N 0 3 168.240 0.489 20 0 ACADHN NC(=O)[C@H]1CCN1C1CCCC1 635097663 347439004 /nfs/dbraw/zinc/43/90/04/347439004.db2.gz RMLJGMWYSMHGSL-MRVPVSSYSA-N 0 3 168.240 0.489 20 0 ACADHN O=C(CN1C2CCC1CC2)NC1CC1 635900516 347450602 /nfs/dbraw/zinc/45/06/02/347450602.db2.gz KTHVJNYOVACRPI-UHFFFAOYSA-N 0 3 194.278 0.892 20 0 ACADHN C[C@@H](CN(C)C)NC(=O)N1CC=CC1 637147736 347458065 /nfs/dbraw/zinc/45/80/65/347458065.db2.gz YTEQAVXRJNNTHM-VIFPVBQESA-N 0 3 197.282 0.518 20 0 ACADHN CN1CCCN(Cc2ccon2)CC1 637812473 347463478 /nfs/dbraw/zinc/46/34/78/347463478.db2.gz YXAHRMRHMKIUGF-UHFFFAOYSA-N 0 3 195.266 0.812 20 0 ACADHN CC[C@@H](C)[C@H](CN(C)CCO)OC 637831697 347464970 /nfs/dbraw/zinc/46/49/70/347464970.db2.gz FOFTWCMXMIENCA-ZJUUUORDSA-N 0 3 189.299 0.972 20 0 ACADHN CC[C@H](C)[C@H](CN(C)CCO)OC 637831694 347465009 /nfs/dbraw/zinc/46/50/09/347465009.db2.gz FOFTWCMXMIENCA-UWVGGRQHSA-N 0 3 189.299 0.972 20 0 ACADHN CCC[C@@H](CN(C)CCO)OC 637833270 347465086 /nfs/dbraw/zinc/46/50/86/347465086.db2.gz QOIRJNDKNYAPFS-VIFPVBQESA-N 0 3 175.272 0.726 20 0 ACADHN CCC[C@H](CN(C)CCO)OC 637833269 347465113 /nfs/dbraw/zinc/46/51/13/347465113.db2.gz QOIRJNDKNYAPFS-SECBINFHSA-N 0 3 175.272 0.726 20 0 ACADHN CC[C@H](C)[C@@H](CN(C)CCO)OC 637831695 347465145 /nfs/dbraw/zinc/46/51/45/347465145.db2.gz FOFTWCMXMIENCA-VHSXEESVSA-N 0 3 189.299 0.972 20 0 ACADHN CC[C@@H](C)[C@@H](CN(C)CCO)OC 637831685 347465317 /nfs/dbraw/zinc/46/53/17/347465317.db2.gz FOFTWCMXMIENCA-NXEZZACHSA-N 0 3 189.299 0.972 20 0 ACADHN CCN(CCO)Cc1ccc(=O)[nH]c1 637837219 347465778 /nfs/dbraw/zinc/46/57/78/347465778.db2.gz AZKRNUFFGJDCSU-UHFFFAOYSA-N 0 3 196.250 0.601 20 0 ACADHN CCNC(=O)[C@H](N)CCC(C)C 637872294 347467304 /nfs/dbraw/zinc/46/73/04/347467304.db2.gz XREVWANUVSHMKM-MRVPVSSYSA-N 0 3 172.272 0.886 20 0 ACADHN CCN[C@H](C)C(=O)N[C@@H](C)COC 637875799 347467331 /nfs/dbraw/zinc/46/73/31/347467331.db2.gz HDRJDUPEKWNUPZ-JGVFFNPUSA-N 0 3 188.271 0.136 20 0 ACADHN CCN[C@@H](C)C(=O)N[C@H](C)COC 637875800 347467388 /nfs/dbraw/zinc/46/73/88/347467388.db2.gz HDRJDUPEKWNUPZ-SFYZADRCSA-N 0 3 188.271 0.136 20 0 ACADHN CCN[C@@H](C)C(=O)N[C@@H](C)COC 637875801 347467428 /nfs/dbraw/zinc/46/74/28/347467428.db2.gz HDRJDUPEKWNUPZ-YUMQZZPRSA-N 0 3 188.271 0.136 20 0 ACADHN CCN[C@H](C)C(=O)N[C@H](C)COC 637875798 347467475 /nfs/dbraw/zinc/46/74/75/347467475.db2.gz HDRJDUPEKWNUPZ-HTQZYQBOSA-N 0 3 188.271 0.136 20 0 ACADHN CCNC(=O)[C@@H](N)CCC(C)C 637872295 347467489 /nfs/dbraw/zinc/46/74/89/347467489.db2.gz XREVWANUVSHMKM-QMMMGPOBSA-N 0 3 172.272 0.886 20 0 ACADHN N[C@@H]1CCO[C@@H]1C(=O)NC1CCCC1 637872832 347467540 /nfs/dbraw/zinc/46/75/40/347467540.db2.gz XUURTHCYIVNJDI-BDAKNGLRSA-N 0 3 198.266 0.161 20 0 ACADHN COCCN(C)Cc1ccc(=O)[nH]c1 637891717 347467925 /nfs/dbraw/zinc/46/79/25/347467925.db2.gz BHBITVXDWSYYIF-UHFFFAOYSA-N 0 3 196.250 0.865 20 0 ACADHN O=c1ccc(CN2CC[C@@H](O)C2)c[nH]1 637888759 347468179 /nfs/dbraw/zinc/46/81/79/347468179.db2.gz DCXFOZLHPVBLOH-SECBINFHSA-N 0 3 194.234 0.354 20 0 ACADHN CCN[C@@H](C)C(=O)N(C)CCOC 637907723 347468658 /nfs/dbraw/zinc/46/86/58/347468658.db2.gz QPHDCRQSLOFBKY-QMMMGPOBSA-N 0 3 188.271 0.089 20 0 ACADHN CCCN(C)C(=O)[C@H](C)NCC 637908078 347468705 /nfs/dbraw/zinc/46/87/05/347468705.db2.gz YWHSGUIDPUUZEX-QMMMGPOBSA-N 0 3 172.272 0.853 20 0 ACADHN CCCN(C)C(=O)[C@@H](C)NCC 637908077 347468725 /nfs/dbraw/zinc/46/87/25/347468725.db2.gz YWHSGUIDPUUZEX-MRVPVSSYSA-N 0 3 172.272 0.853 20 0 ACADHN CCN[C@@H](C)C(=O)NCCOCC 637908029 347468740 /nfs/dbraw/zinc/46/87/40/347468740.db2.gz XUHWRWZXIHOFSM-QMMMGPOBSA-N 0 3 188.271 0.137 20 0 ACADHN CCN[C@H](C)C(=O)NCC1CC1 637903100 347468829 /nfs/dbraw/zinc/46/88/29/347468829.db2.gz WXHUNHMANHMEHN-SSDOTTSWSA-N 0 3 170.256 0.511 20 0 ACADHN CCN[C@H](C)C(=O)Nc1ccnn1C 637909365 347468833 /nfs/dbraw/zinc/46/88/33/347468833.db2.gz RKRBJKWKUKRCKQ-SSDOTTSWSA-N 0 3 196.254 0.357 20 0 ACADHN CCN[C@H](C)C(=O)NCCOCC 637908028 347468865 /nfs/dbraw/zinc/46/88/65/347468865.db2.gz XUHWRWZXIHOFSM-MRVPVSSYSA-N 0 3 188.271 0.137 20 0 ACADHN CCN[C@H](C)C(=O)N(C)CCOC 637907722 347469075 /nfs/dbraw/zinc/46/90/75/347469075.db2.gz QPHDCRQSLOFBKY-MRVPVSSYSA-N 0 3 188.271 0.089 20 0 ACADHN CCN[C@@H](C)C(=O)NCC1CC1 637903101 347469145 /nfs/dbraw/zinc/46/91/45/347469145.db2.gz WXHUNHMANHMEHN-ZETCQYMHSA-N 0 3 170.256 0.511 20 0 ACADHN CCN[C@@H](C)C(=O)Nc1ccnn1C 637909366 347469604 /nfs/dbraw/zinc/46/96/04/347469604.db2.gz RKRBJKWKUKRCKQ-ZETCQYMHSA-N 0 3 196.254 0.357 20 0 ACADHN O=c1ccc(CN2CC[C@H](O)C2)c[nH]1 637918027 347469731 /nfs/dbraw/zinc/46/97/31/347469731.db2.gz DCXFOZLHPVBLOH-VIFPVBQESA-N 0 3 194.234 0.354 20 0 ACADHN CCN[C@@H](C)C(=O)N(CC)C1CC1 637916771 347469752 /nfs/dbraw/zinc/46/97/52/347469752.db2.gz HWRZFQHTXLPLCM-QMMMGPOBSA-N 0 3 184.283 0.995 20 0 ACADHN CCN[C@H](C)C(=O)N(CC)C1CC1 637916770 347469875 /nfs/dbraw/zinc/46/98/75/347469875.db2.gz HWRZFQHTXLPLCM-MRVPVSSYSA-N 0 3 184.283 0.995 20 0 ACADHN N[C@@H]1CCO[C@@H]1C(=O)NCC1CCC1 637926732 347470201 /nfs/dbraw/zinc/47/02/01/347470201.db2.gz QUSXJDMMSKMWES-BDAKNGLRSA-N 0 3 198.266 0.019 20 0 ACADHN CCN[C@H](C)C(=O)NC[C@@H]1C[C@@H]1C 637926407 347470208 /nfs/dbraw/zinc/47/02/08/347470208.db2.gz PMFACLHZORCFHJ-YIZRAAEISA-N 0 3 184.283 0.757 20 0 ACADHN CCN[C@@H](C)C(=O)N(C)C1CC1 637922128 347470285 /nfs/dbraw/zinc/47/02/85/347470285.db2.gz LVRVPNGVXGPSKT-ZETCQYMHSA-N 0 3 170.256 0.605 20 0 ACADHN CCN[C@H](C)C(=O)NC[C@H]1C[C@H]1C 637926406 347470293 /nfs/dbraw/zinc/47/02/93/347470293.db2.gz PMFACLHZORCFHJ-IWSPIJDZSA-N 0 3 184.283 0.757 20 0 ACADHN CCN[C@H](C)C(=O)N(C)CC1CC1 637934645 347470341 /nfs/dbraw/zinc/47/03/41/347470341.db2.gz GCGWHYPIEBLDLQ-MRVPVSSYSA-N 0 3 184.283 0.853 20 0 ACADHN CCN[C@H](C)C(=O)NCc1cc[nH]n1 637932400 347470349 /nfs/dbraw/zinc/47/03/49/347470349.db2.gz CHTWBIKLAQSEGT-SSDOTTSWSA-N 0 3 196.254 0.024 20 0 ACADHN CCN[C@H](C)C(=O)Nc1cnn(C)c1 637928667 347470392 /nfs/dbraw/zinc/47/03/92/347470392.db2.gz CREABAKVPYORDX-SSDOTTSWSA-N 0 3 196.254 0.357 20 0 ACADHN CCN[C@@H](C)C(=O)NCC1CCC1 637927165 347470435 /nfs/dbraw/zinc/47/04/35/347470435.db2.gz SKUBYXZLHWXLDC-QMMMGPOBSA-N 0 3 184.283 0.901 20 0 ACADHN CCN[C@@H](C)C(=O)NCc1cc[nH]n1 637932401 347470465 /nfs/dbraw/zinc/47/04/65/347470465.db2.gz CHTWBIKLAQSEGT-ZETCQYMHSA-N 0 3 196.254 0.024 20 0 ACADHN CCN[C@@H](C)C(=O)N(C)CC1CC1 637934647 347470506 /nfs/dbraw/zinc/47/05/06/347470506.db2.gz GCGWHYPIEBLDLQ-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN CCN[C@H](C)C(=O)NCC1CCC1 637927162 347470530 /nfs/dbraw/zinc/47/05/30/347470530.db2.gz SKUBYXZLHWXLDC-MRVPVSSYSA-N 0 3 184.283 0.901 20 0 ACADHN CCN[C@H](C)C(=O)NC[C@@H]1C[C@H]1C 637926405 347470562 /nfs/dbraw/zinc/47/05/62/347470562.db2.gz PMFACLHZORCFHJ-HLTSFMKQSA-N 0 3 184.283 0.757 20 0 ACADHN CCN[C@@H](C)C(=O)Nc1cn[nH]c1 637931800 347470651 /nfs/dbraw/zinc/47/06/51/347470651.db2.gz GWQGESYNCRTDMM-LURJTMIESA-N 0 3 182.227 0.346 20 0 ACADHN CCN[C@@H](C)C(=O)Nc1cnn(C)c1 637928668 347470678 /nfs/dbraw/zinc/47/06/78/347470678.db2.gz CREABAKVPYORDX-ZETCQYMHSA-N 0 3 196.254 0.357 20 0 ACADHN CCN[C@H](C)C(=O)NC1CCC1 637928381 347470685 /nfs/dbraw/zinc/47/06/85/347470685.db2.gz VPWKYWXIQVUGIG-SSDOTTSWSA-N 0 3 170.256 0.653 20 0 ACADHN CCN[C@H](C)C(=O)NC[C@H]1C[C@@H]1C 637926403 347470692 /nfs/dbraw/zinc/47/06/92/347470692.db2.gz PMFACLHZORCFHJ-DJLDLDEBSA-N 0 3 184.283 0.757 20 0 ACADHN CCN[C@H](C)C(=O)N(C)C1CC1 637922127 347470719 /nfs/dbraw/zinc/47/07/19/347470719.db2.gz LVRVPNGVXGPSKT-SSDOTTSWSA-N 0 3 170.256 0.605 20 0 ACADHN CCN[C@H](C)C(=O)Nc1cn[nH]c1 637931801 347470818 /nfs/dbraw/zinc/47/08/18/347470818.db2.gz GWQGESYNCRTDMM-ZCFIWIBFSA-N 0 3 182.227 0.346 20 0 ACADHN CCN[C@@H](C)C(=O)NC1CCC1 637928384 347470834 /nfs/dbraw/zinc/47/08/34/347470834.db2.gz VPWKYWXIQVUGIG-ZETCQYMHSA-N 0 3 170.256 0.653 20 0 ACADHN CCN[C@H](C)C(=O)N1CC[C@@H](C)C1 637947757 347471218 /nfs/dbraw/zinc/47/12/18/347471218.db2.gz BLNKRDRPQBYIQG-RKDXNWHRSA-N 0 3 184.283 0.853 20 0 ACADHN CCN[C@@H](C)C(=O)N1CC[C@@H](C)C1 637947754 347471326 /nfs/dbraw/zinc/47/13/26/347471326.db2.gz BLNKRDRPQBYIQG-BDAKNGLRSA-N 0 3 184.283 0.853 20 0 ACADHN CCN[C@@H](C)C(=O)N1CC[C@H](C)C1 637947756 347471435 /nfs/dbraw/zinc/47/14/35/347471435.db2.gz BLNKRDRPQBYIQG-IUCAKERBSA-N 0 3 184.283 0.853 20 0 ACADHN CCN[C@@H](C)C(=O)N(C)CC(F)F 637955267 347471498 /nfs/dbraw/zinc/47/14/98/347471498.db2.gz IUSFQENPAKLORN-LURJTMIESA-N 0 3 194.225 0.708 20 0 ACADHN CCN[C@H](C)C(=O)N1CC[C@H](C)C1 637947755 347471578 /nfs/dbraw/zinc/47/15/78/347471578.db2.gz BLNKRDRPQBYIQG-DTWKUNHWSA-N 0 3 184.283 0.853 20 0 ACADHN CCN[C@H](C)C(=O)N(C)CC(F)F 637955268 347471585 /nfs/dbraw/zinc/47/15/85/347471585.db2.gz IUSFQENPAKLORN-ZCFIWIBFSA-N 0 3 194.225 0.708 20 0 ACADHN CCN[C@H](C)C(=O)NCC(F)F 637987061 347471930 /nfs/dbraw/zinc/47/19/30/347471930.db2.gz NTTZYYQPNILZCC-RXMQYKEDSA-N 0 3 180.198 0.366 20 0 ACADHN CCN[C@H](C)C(=O)N1CCC[C@H]1C 637986255 347472035 /nfs/dbraw/zinc/47/20/35/347472035.db2.gz DHOWZWKJUOOICI-RKDXNWHRSA-N 0 3 184.283 0.995 20 0 ACADHN CCN[C@@H](C)C(=O)NCC(F)F 637987069 347472233 /nfs/dbraw/zinc/47/22/33/347472233.db2.gz NTTZYYQPNILZCC-YFKPBYRVSA-N 0 3 180.198 0.366 20 0 ACADHN CCN[C@@H](C)C(=O)N1CCC[C@H]1C 637986250 347472244 /nfs/dbraw/zinc/47/22/44/347472244.db2.gz DHOWZWKJUOOICI-BDAKNGLRSA-N 0 3 184.283 0.995 20 0 ACADHN CCN[C@@H](C)C(=O)N(C)C1CCC1 638001075 347472261 /nfs/dbraw/zinc/47/22/61/347472261.db2.gz BKXONNAGZQYZKM-QMMMGPOBSA-N 0 3 184.283 0.995 20 0 ACADHN CCN[C@H](C)C(=O)N1CCC[C@@H]1C 637986251 347472289 /nfs/dbraw/zinc/47/22/89/347472289.db2.gz DHOWZWKJUOOICI-DTWKUNHWSA-N 0 3 184.283 0.995 20 0 ACADHN CCN[C@H](C)C(=O)N(C)C1CCC1 638001074 347472392 /nfs/dbraw/zinc/47/23/92/347472392.db2.gz BKXONNAGZQYZKM-MRVPVSSYSA-N 0 3 184.283 0.995 20 0 ACADHN CCN[C@@H](C)C(=O)N1CCC[C@@H]1C 637986253 347472430 /nfs/dbraw/zinc/47/24/30/347472430.db2.gz DHOWZWKJUOOICI-IUCAKERBSA-N 0 3 184.283 0.995 20 0 ACADHN N[C@@H]1CCO[C@@H]1C(=O)NCCC1CC1 638005521 347472788 /nfs/dbraw/zinc/47/27/88/347472788.db2.gz SDNFNFCFXCUQCN-BDAKNGLRSA-N 0 3 198.266 0.019 20 0 ACADHN CCN[C@H](C)C(=O)NC1CC(C)C1 638005604 347472842 /nfs/dbraw/zinc/47/28/42/347472842.db2.gz UCFKUOCBSITWMX-QJAFJHJLSA-N 0 3 184.283 0.899 20 0 ACADHN CCN[C@@H](C)C(=O)NCCC1CC1 638004653 347472911 /nfs/dbraw/zinc/47/29/11/347472911.db2.gz CVCSZZGSXARXBT-QMMMGPOBSA-N 0 3 184.283 0.901 20 0 ACADHN CCN[C@H](C)C(=O)NCC1(C)CC1 638015335 347473026 /nfs/dbraw/zinc/47/30/26/347473026.db2.gz NCUYCJSQBIINDN-MRVPVSSYSA-N 0 3 184.283 0.901 20 0 ACADHN CCN[C@@H](C)C(=O)NCC1(C)CC1 638015337 347473084 /nfs/dbraw/zinc/47/30/84/347473084.db2.gz NCUYCJSQBIINDN-QMMMGPOBSA-N 0 3 184.283 0.901 20 0 ACADHN CCN[C@@H](C)C(=O)NC1CC(C)C1 638005603 347473119 /nfs/dbraw/zinc/47/31/19/347473119.db2.gz UCFKUOCBSITWMX-MGURRDGZSA-N 0 3 184.283 0.899 20 0 ACADHN CCN[C@H](C)C(=O)NCCC1CC1 638004652 347473123 /nfs/dbraw/zinc/47/31/23/347473123.db2.gz CVCSZZGSXARXBT-MRVPVSSYSA-N 0 3 184.283 0.901 20 0 ACADHN CCN[C@@H](C)C(=O)Nc1ccncc1 638047403 347473524 /nfs/dbraw/zinc/47/35/24/347473524.db2.gz HEUFNWNBDNRNKV-QMMMGPOBSA-N 0 3 193.250 0.440 20 0 ACADHN CCN[C@H](C)C(=O)Nc1ccncc1 638047388 347473658 /nfs/dbraw/zinc/47/36/58/347473658.db2.gz HEUFNWNBDNRNKV-MRVPVSSYSA-N 0 3 193.250 0.440 20 0 ACADHN CCN[C@H](C)C(=O)NCc1ncc[nH]1 638114050 347474308 /nfs/dbraw/zinc/47/43/08/347474308.db2.gz GEXOLVBRFFXVNQ-SSDOTTSWSA-N 0 3 196.254 0.024 20 0 ACADHN CCN[C@@H](C)C(=O)NCc1ncc[nH]1 638114058 347474701 /nfs/dbraw/zinc/47/47/01/347474701.db2.gz GEXOLVBRFFXVNQ-ZETCQYMHSA-N 0 3 196.254 0.024 20 0 ACADHN CCN[C@@H](C)C(=O)NCc1c[nH]cn1 638283627 347478115 /nfs/dbraw/zinc/47/81/15/347478115.db2.gz YXFPHNOVRIHUJN-ZETCQYMHSA-N 0 3 196.254 0.024 20 0 ACADHN CCN[C@H](C)C(=O)NC[C@@H](C)OC 638282345 347478212 /nfs/dbraw/zinc/47/82/12/347478212.db2.gz RFMUVXZXNGTUKZ-HTQZYQBOSA-N 0 3 188.271 0.136 20 0 ACADHN CCN[C@H](C)C(=O)NC[C@H](C)OC 638282356 347478294 /nfs/dbraw/zinc/47/82/94/347478294.db2.gz RFMUVXZXNGTUKZ-JGVFFNPUSA-N 0 3 188.271 0.136 20 0 ACADHN CCN[C@@H](C)C(=O)NC[C@@H](C)OC 638282358 347478311 /nfs/dbraw/zinc/47/83/11/347478311.db2.gz RFMUVXZXNGTUKZ-SFYZADRCSA-N 0 3 188.271 0.136 20 0 ACADHN CCN[C@@H](C)C(=O)NC[C@H](C)OC 638282359 347478317 /nfs/dbraw/zinc/47/83/17/347478317.db2.gz RFMUVXZXNGTUKZ-YUMQZZPRSA-N 0 3 188.271 0.136 20 0 ACADHN CCN[C@H](C)C(=O)NCc1c[nH]cn1 638283626 347478367 /nfs/dbraw/zinc/47/83/67/347478367.db2.gz YXFPHNOVRIHUJN-SSDOTTSWSA-N 0 3 196.254 0.024 20 0 ACADHN Nc1c(F)cccc1CNCCCO 638289097 347478383 /nfs/dbraw/zinc/47/83/83/347478383.db2.gz JFQHRBMRXMZEAK-UHFFFAOYSA-N 0 3 198.241 0.880 20 0 ACADHN C[C@@H](O)CNCc1cccc(F)c1N 638299754 347478725 /nfs/dbraw/zinc/47/87/25/347478725.db2.gz PSNFKIUTFLALBX-SSDOTTSWSA-N 0 3 198.241 0.878 20 0 ACADHN C[C@H](O)CNCc1cccc(F)c1N 638299768 347478868 /nfs/dbraw/zinc/47/88/68/347478868.db2.gz PSNFKIUTFLALBX-ZETCQYMHSA-N 0 3 198.241 0.878 20 0 ACADHN CCN[C@H](C)C(=O)N1CCCCN1 638380788 347480268 /nfs/dbraw/zinc/48/02/68/347480268.db2.gz DXOXGYCVKZQWLP-MRVPVSSYSA-N 0 3 185.271 0.111 20 0 ACADHN CCN[C@@H](C)C(=O)N1CCCCN1 638380789 347480309 /nfs/dbraw/zinc/48/03/09/347480309.db2.gz DXOXGYCVKZQWLP-QMMMGPOBSA-N 0 3 185.271 0.111 20 0 ACADHN C[C@H](CO)NCc1cccc(F)c1N 638411525 347480727 /nfs/dbraw/zinc/48/07/27/347480727.db2.gz CDXOYOSAIDFNJQ-SSDOTTSWSA-N 0 3 198.241 0.878 20 0 ACADHN CCN[C@H](C)C(=O)N1CC[C@H]2C[C@H]2C1 638427129 347481495 /nfs/dbraw/zinc/48/14/95/347481495.db2.gz SSHYOINHLWUKFY-UTLUCORTSA-N 0 3 196.294 0.853 20 0 ACADHN CCN[C@H](C)C(=O)N1CC[C@@H]2C[C@@H]2C1 638427128 347481550 /nfs/dbraw/zinc/48/15/50/347481550.db2.gz SSHYOINHLWUKFY-OPRDCNLKSA-N 0 3 196.294 0.853 20 0 ACADHN CCN[C@H](C)C(=O)NCC(C)(F)F 638426873 347481638 /nfs/dbraw/zinc/48/16/38/347481638.db2.gz MCTRNMQUUPIOJR-ZCFIWIBFSA-N 0 3 194.225 0.756 20 0 ACADHN CCN[C@@H](C)C(=O)NCC(C)(F)F 638426872 347481724 /nfs/dbraw/zinc/48/17/24/347481724.db2.gz MCTRNMQUUPIOJR-LURJTMIESA-N 0 3 194.225 0.756 20 0 ACADHN CCC[C@H](CNC(=O)CN)OCC 638457866 347482176 /nfs/dbraw/zinc/48/21/76/347482176.db2.gz OXBZJHQMLVPXFQ-MRVPVSSYSA-N 0 3 188.271 0.267 20 0 ACADHN CCN(Cc1ccoc1)C(=O)CN 638444190 347482278 /nfs/dbraw/zinc/48/22/78/347482278.db2.gz AUWIOVSYFNYSNW-UHFFFAOYSA-N 0 3 182.223 0.587 20 0 ACADHN CCN[C@@H](C)C(=O)N1C[C@H]2C[C@H]2C1 638475146 347482854 /nfs/dbraw/zinc/48/28/54/347482854.db2.gz UBCWRSORUMAYFD-XHNCKOQMSA-N 0 3 182.267 0.463 20 0 ACADHN CC1(C)CN[C@H]1C(=O)N1C[C@H]2C[C@H]2C1 638474827 347482962 /nfs/dbraw/zinc/48/29/62/347482962.db2.gz QVBZSXCQZAUHBN-YIZRAAEISA-N 0 3 194.278 0.463 20 0 ACADHN CCN[C@H](C)C(=O)N1C[C@H]2C[C@H]2C1 638475143 347482987 /nfs/dbraw/zinc/48/29/87/347482987.db2.gz UBCWRSORUMAYFD-HLTSFMKQSA-N 0 3 182.267 0.463 20 0 ACADHN CC1(C)CN[C@@H]1C(=O)N1C[C@H]2C[C@H]2C1 638474824 347483140 /nfs/dbraw/zinc/48/31/40/347483140.db2.gz QVBZSXCQZAUHBN-HRDYMLBCSA-N 0 3 194.278 0.463 20 0 ACADHN C[C@@H](N)C(=O)NCC1CC=CC1 638492612 347483368 /nfs/dbraw/zinc/48/33/68/347483368.db2.gz XGZURRMJDAFVBX-SSDOTTSWSA-N 0 3 168.240 0.416 20 0 ACADHN NC1(C(=O)NCC2CC=CC2)CCC1 638494302 347483428 /nfs/dbraw/zinc/48/34/28/347483428.db2.gz UJMUIUUHCTYLRX-UHFFFAOYSA-N 0 3 194.278 0.950 20 0 ACADHN NCC(=O)NCC1CC=CC1 638491559 347483496 /nfs/dbraw/zinc/48/34/96/347483496.db2.gz JPCIAZZTIQSZQD-UHFFFAOYSA-N 0 3 154.213 0.028 20 0 ACADHN CN[C@@H](C)C(=O)NCC1CC=CC1 638494340 347483521 /nfs/dbraw/zinc/48/35/21/347483521.db2.gz WDXHOFOVAHTSSE-QMMMGPOBSA-N 0 3 182.267 0.677 20 0 ACADHN O=C(CNC1CC1)NCC1CC=CC1 638493323 347483543 /nfs/dbraw/zinc/48/35/43/347483543.db2.gz GDLKZSVUISIWEG-UHFFFAOYSA-N 0 3 194.278 0.821 20 0 ACADHN CNCC(=O)NCC1CC=CC1 638491009 347483558 /nfs/dbraw/zinc/48/35/58/347483558.db2.gz FPPHMXMEURVSNE-UHFFFAOYSA-N 0 3 168.240 0.288 20 0 ACADHN CC[C@@H](N)C(=O)NCC1CC=CC1 638493879 347483599 /nfs/dbraw/zinc/48/35/99/347483599.db2.gz NYOKCRPGARUGPZ-SECBINFHSA-N 0 3 182.267 0.806 20 0 ACADHN NC1(C(=O)NCC2CC=CC2)CC1 638492461 347483704 /nfs/dbraw/zinc/48/37/04/347483704.db2.gz VTEAOOXUYPYAHK-UHFFFAOYSA-N 0 3 180.251 0.560 20 0 ACADHN C[C@H](N)C(=O)NCC1CC=CC1 638492614 347483832 /nfs/dbraw/zinc/48/38/32/347483832.db2.gz XGZURRMJDAFVBX-ZETCQYMHSA-N 0 3 168.240 0.416 20 0 ACADHN CC[C@H](N)C(=O)NCC1CC=CC1 638491854 347483948 /nfs/dbraw/zinc/48/39/48/347483948.db2.gz NYOKCRPGARUGPZ-VIFPVBQESA-N 0 3 182.267 0.806 20 0 ACADHN Cc1c(N)cccc1NC(=O)[C@@H](C)N 638524314 347484720 /nfs/dbraw/zinc/48/47/20/347484720.db2.gz OCXBOCHWAVKLKX-SSDOTTSWSA-N 0 3 193.250 0.863 20 0 ACADHN CNCC(=O)Nc1cccc(N)c1C 638523458 347484949 /nfs/dbraw/zinc/48/49/49/347484949.db2.gz HCRBYUVDRJRJMQ-UHFFFAOYSA-N 0 3 193.250 0.735 20 0 ACADHN Cc1c(N)cccc1NC(=O)[C@H](C)N 638524315 347485047 /nfs/dbraw/zinc/48/50/47/347485047.db2.gz OCXBOCHWAVKLKX-ZETCQYMHSA-N 0 3 193.250 0.863 20 0 ACADHN CNCC(=O)Nc1ccc(NC)cc1 638566189 347485651 /nfs/dbraw/zinc/48/56/51/347485651.db2.gz CSTAARGGVGIDQU-UHFFFAOYSA-N 0 3 193.250 0.886 20 0 ACADHN C[C@@H](N)C(=O)N(C1CC1)C1CC1 638573712 347486136 /nfs/dbraw/zinc/48/61/36/347486136.db2.gz IOLLQGZEKMHELA-ZCFIWIBFSA-N 0 3 168.240 0.487 20 0 ACADHN O=C(CNC1CC1)N(C1CC1)C1CC1 638573721 347486176 /nfs/dbraw/zinc/48/61/76/347486176.db2.gz JAGKJTPSFDLOPR-UHFFFAOYSA-N 0 3 194.278 0.892 20 0 ACADHN CC[C@@H](N)C(=O)N(C1CC1)C1CC1 638574685 347486200 /nfs/dbraw/zinc/48/62/00/347486200.db2.gz YADHLAXQPCHQTQ-SECBINFHSA-N 0 3 182.267 0.877 20 0 ACADHN CN[C@@H](C)C(=O)N(C1CC1)C1CC1 638573519 347486242 /nfs/dbraw/zinc/48/62/42/347486242.db2.gz FXPWMWMEJOPVQI-ZETCQYMHSA-N 0 3 182.267 0.748 20 0 ACADHN Cc1ncccc1CNC(=O)[C@@H](C)N 638601713 347486364 /nfs/dbraw/zinc/48/63/64/347486364.db2.gz OMCWLVNXFWMLJL-SSDOTTSWSA-N 0 3 193.250 0.353 20 0 ACADHN CNCC(=O)N(C1CC1)C1CC1 638573720 347486369 /nfs/dbraw/zinc/48/63/69/347486369.db2.gz IYFPQWPNFAYVOB-UHFFFAOYSA-N 0 3 168.240 0.359 20 0 ACADHN CNCC(=O)NCc1cccnc1C 638601992 347486434 /nfs/dbraw/zinc/48/64/34/347486434.db2.gz QLIOGWCSUNWYLV-UHFFFAOYSA-N 0 3 193.250 0.226 20 0 ACADHN Cc1ncccc1CNC(=O)[C@H](C)N 638601714 347486520 /nfs/dbraw/zinc/48/65/20/347486520.db2.gz OMCWLVNXFWMLJL-ZETCQYMHSA-N 0 3 193.250 0.353 20 0 ACADHN CC[C@H](N)C(=O)N(C1CC1)C1CC1 638574686 347486633 /nfs/dbraw/zinc/48/66/33/347486633.db2.gz YADHLAXQPCHQTQ-VIFPVBQESA-N 0 3 182.267 0.877 20 0 ACADHN C[C@H](N)C(=O)N(C1CC1)C1CC1 638573711 347486643 /nfs/dbraw/zinc/48/66/43/347486643.db2.gz IOLLQGZEKMHELA-LURJTMIESA-N 0 3 168.240 0.487 20 0 ACADHN NCC(=O)N[C@@H]1C[C@H]1c1ccsc1 638631477 347487205 /nfs/dbraw/zinc/48/72/05/347487205.db2.gz JHOHGHSNVBNDQZ-JGVFFNPUSA-N 0 3 196.275 0.679 20 0 ACADHN C/C=C/CNC(=O)C(N)C(F)(F)F 638688876 347488241 /nfs/dbraw/zinc/48/82/41/347488241.db2.gz GTWLNBOKPYNFTK-HRJJCQLASA-N 0 3 196.172 0.568 20 0 ACADHN C/C=C\CNC(=O)C(N)C(F)(F)F 638688888 347488279 /nfs/dbraw/zinc/48/82/79/347488279.db2.gz GTWLNBOKPYNFTK-KQLGLEPJSA-N 0 3 196.172 0.568 20 0 ACADHN C/C=C\CNC(=O)C(N)C(F)(F)F 638688889 347488376 /nfs/dbraw/zinc/48/83/76/347488376.db2.gz GTWLNBOKPYNFTK-RLUJCOFPSA-N 0 3 196.172 0.568 20 0 ACADHN CCn1nc(C)cc1NC(=O)[C@@H](C)N 638699610 347489091 /nfs/dbraw/zinc/48/90/91/347489091.db2.gz OIQNOGFOUWRIGX-SSDOTTSWSA-N 0 3 196.254 0.497 20 0 ACADHN C[C@@H](CO)NCc1cccc(F)c1N 638710728 347489379 /nfs/dbraw/zinc/48/93/79/347489379.db2.gz CDXOYOSAIDFNJQ-ZETCQYMHSA-N 0 3 198.241 0.878 20 0 ACADHN CCN[C@H](C)C(=O)N[C@@H]1C[C@H]1CC 638723307 347489870 /nfs/dbraw/zinc/48/98/70/347489870.db2.gz HESVMUMOVVYNSU-IWSPIJDZSA-N 0 3 184.283 0.899 20 0 ACADHN C[C@@H](N)C(=O)NCC1(C(F)F)CC1 638723593 347489714 /nfs/dbraw/zinc/48/97/14/347489714.db2.gz QDHKWVNZPQYTIF-RXMQYKEDSA-N 0 3 192.209 0.495 20 0 ACADHN C[C@H](N)C(=O)NCC1(C(F)F)CC1 638723594 347489761 /nfs/dbraw/zinc/48/97/61/347489761.db2.gz QDHKWVNZPQYTIF-YFKPBYRVSA-N 0 3 192.209 0.495 20 0 ACADHN CNCC(=O)NCC1(C(F)F)CC1 638720954 347489768 /nfs/dbraw/zinc/48/97/68/347489768.db2.gz MARLMXYWJMXFQM-UHFFFAOYSA-N 0 3 192.209 0.367 20 0 ACADHN NCC(=O)NCC1(C(F)F)CC1 638722934 347489816 /nfs/dbraw/zinc/48/98/16/347489816.db2.gz BJRPSQBNWVJCEX-UHFFFAOYSA-N 0 3 178.182 0.107 20 0 ACADHN CCN[C@@H](C)C(=O)N[C@@H]1C[C@H]1CC 638723306 347489903 /nfs/dbraw/zinc/48/99/03/347489903.db2.gz HESVMUMOVVYNSU-DJLDLDEBSA-N 0 3 184.283 0.899 20 0 ACADHN CNCC(=O)N1C[C@@H]2CCCC[C@@]21C 638757647 347490309 /nfs/dbraw/zinc/49/03/09/347490309.db2.gz NBDCEQSNKNWWDI-ONGXEEELSA-N 0 3 196.294 0.997 20 0 ACADHN CCN[C@H](C)C(=O)Nc1nc(C)c[nH]1 638853986 347493635 /nfs/dbraw/zinc/49/36/35/347493635.db2.gz MFQNSTFYTLKCDD-SSDOTTSWSA-N 0 3 196.254 0.655 20 0 ACADHN CCN[C@@H](C)C(=O)Nc1nc(C)c[nH]1 638853988 347493750 /nfs/dbraw/zinc/49/37/50/347493750.db2.gz MFQNSTFYTLKCDD-ZETCQYMHSA-N 0 3 196.254 0.655 20 0 ACADHN CC(C)(C)NCc1cnc(N)nc1N 638850010 347493839 /nfs/dbraw/zinc/49/38/39/347493839.db2.gz GVYYLKIGDMGURP-UHFFFAOYSA-N 0 3 195.270 0.190 20 0 ACADHN COC[C@](C)(CO)NC[C@H](C)OC 638873545 347494123 /nfs/dbraw/zinc/49/41/23/347494123.db2.gz JCNOIFRJKWFXQH-IUCAKERBSA-N 0 3 191.271 0.008 20 0 ACADHN Nc1c(F)cccc1CNCCO 638863159 347494426 /nfs/dbraw/zinc/49/44/26/347494426.db2.gz LCWNAQPAGAUWSX-UHFFFAOYSA-N 0 3 184.214 0.490 20 0 ACADHN COC[C@](C)(CO)NC[C@@H](C)OC 638873543 347494316 /nfs/dbraw/zinc/49/43/16/347494316.db2.gz JCNOIFRJKWFXQH-BDAKNGLRSA-N 0 3 191.271 0.008 20 0 ACADHN COC[C@@](C)(CO)NC[C@H](C)OC 638873544 347494371 /nfs/dbraw/zinc/49/43/71/347494371.db2.gz JCNOIFRJKWFXQH-DTWKUNHWSA-N 0 3 191.271 0.008 20 0 ACADHN COC[C@@](C)(CO)NC[C@@H](C)OC 638873546 347494452 /nfs/dbraw/zinc/49/44/52/347494452.db2.gz JCNOIFRJKWFXQH-RKDXNWHRSA-N 0 3 191.271 0.008 20 0 ACADHN CC[C@@H](NC(=O)[C@H](C)NC)C(F)F 639077993 347500866 /nfs/dbraw/zinc/50/08/66/347500866.db2.gz UEKYPAQCYZBONW-NTSWFWBYSA-N 0 3 194.225 0.754 20 0 ACADHN CNCC(=O)N[C@H](C)CC1CCC1 638995300 347498607 /nfs/dbraw/zinc/49/86/07/347498607.db2.gz AJUVVSQABKJCLE-MRVPVSSYSA-N 0 3 184.283 0.901 20 0 ACADHN CC1(F)CCN(C(=O)CN)CC1 638994519 347498745 /nfs/dbraw/zinc/49/87/45/347498745.db2.gz LSZQGHQUBVJRQP-UHFFFAOYSA-N 0 3 174.219 0.296 20 0 ACADHN C[C@@H](N)C(=O)N1CCC(C)(F)CC1 638995624 347498812 /nfs/dbraw/zinc/49/88/12/347498812.db2.gz YTANQVXMIGHOKB-SSDOTTSWSA-N 0 3 188.246 0.684 20 0 ACADHN C[C@H](N)C(=O)N1CCC(C)(F)CC1 638995625 347498833 /nfs/dbraw/zinc/49/88/33/347498833.db2.gz YTANQVXMIGHOKB-ZETCQYMHSA-N 0 3 188.246 0.684 20 0 ACADHN NCC(=O)N[C@@H]1C[C@H]1C(F)(F)F 639003940 347499258 /nfs/dbraw/zinc/49/92/58/347499258.db2.gz INDPZSREXQMFQC-QWWZWVQMSA-N 0 3 182.145 0.012 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1C[C@H]1C(F)(F)F 639003242 347499298 /nfs/dbraw/zinc/49/92/98/347499298.db2.gz APGBFRSWCSBPNI-UOWFLXDJSA-N 0 3 196.172 0.401 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1C[C@H]1C(F)(F)F 639003251 347499381 /nfs/dbraw/zinc/49/93/81/347499381.db2.gz APGBFRSWCSBPNI-VPENINKCSA-N 0 3 196.172 0.401 20 0 ACADHN CNCC(=O)N[C@@H]1C[C@H]1C(F)(F)F 639003583 347499475 /nfs/dbraw/zinc/49/94/75/347499475.db2.gz DJAUGLBVIISUFM-RFZPGFLSSA-N 0 3 196.172 0.273 20 0 ACADHN COC[C@H](NC1(C(N)=O)CC1)C1CC1 639042880 347499758 /nfs/dbraw/zinc/49/97/58/347499758.db2.gz LZAFEHLVFJLKPW-QMMMGPOBSA-N 0 3 198.266 0.019 20 0 ACADHN C[C@H](NC1(C(N)=O)CC1)[C@@H]1CCCO1 639042965 347499777 /nfs/dbraw/zinc/49/97/77/347499777.db2.gz NMVJSTQTHLVZNR-YUMQZZPRSA-N 0 3 198.266 0.161 20 0 ACADHN C[C@@H](NC1(C(N)=O)CC1)[C@@H]1CCCO1 639042964 347499895 /nfs/dbraw/zinc/49/98/95/347499895.db2.gz NMVJSTQTHLVZNR-SFYZADRCSA-N 0 3 198.266 0.161 20 0 ACADHN COC[C@@H](NC1(C(N)=O)CC1)C1CC1 639042879 347499903 /nfs/dbraw/zinc/49/99/03/347499903.db2.gz LZAFEHLVFJLKPW-MRVPVSSYSA-N 0 3 198.266 0.019 20 0 ACADHN C[C@@H](O)CN(C)Cc1ccc(=O)[nH]c1 639041490 347499923 /nfs/dbraw/zinc/49/99/23/347499923.db2.gz KZZBAKOZUBJFBT-MRVPVSSYSA-N 0 3 196.250 0.600 20 0 ACADHN CO[C@@H](C)[C@@H](C)NC1(C(N)=O)CC1 639043565 347500047 /nfs/dbraw/zinc/50/00/47/347500047.db2.gz ZWQNXFFMFNHZQS-RQJHMYQMSA-N 0 3 186.255 0.017 20 0 ACADHN CO[C@H](C)[C@H](C)NC1(C(N)=O)CC1 639043563 347500068 /nfs/dbraw/zinc/50/00/68/347500068.db2.gz ZWQNXFFMFNHZQS-NKWVEPMBSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@@H](NC1(C(N)=O)CC1)[C@H]1CCCO1 639042962 347500088 /nfs/dbraw/zinc/50/00/88/347500088.db2.gz NMVJSTQTHLVZNR-HTQZYQBOSA-N 0 3 198.266 0.161 20 0 ACADHN C[C@H](NC1(C(N)=O)CC1)[C@H]1CCCO1 639042963 347500107 /nfs/dbraw/zinc/50/01/07/347500107.db2.gz NMVJSTQTHLVZNR-JGVFFNPUSA-N 0 3 198.266 0.161 20 0 ACADHN CO[C@H](C)[C@@H](C)NC1(C(N)=O)CC1 639043564 347500153 /nfs/dbraw/zinc/50/01/53/347500153.db2.gz ZWQNXFFMFNHZQS-RNFRBKRXSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H](O)CN(C)Cc1ccc(=O)[nH]c1 639041491 347500223 /nfs/dbraw/zinc/50/02/23/347500223.db2.gz KZZBAKOZUBJFBT-QMMMGPOBSA-N 0 3 196.250 0.600 20 0 ACADHN CO[C@@H](C)[C@H](C)NC1(C(N)=O)CC1 639043562 347500257 /nfs/dbraw/zinc/50/02/57/347500257.db2.gz ZWQNXFFMFNHZQS-BQBZGAKWSA-N 0 3 186.255 0.017 20 0 ACADHN CC[C@H](NC(=O)[C@@H](C)N)C(F)F 639081511 347500555 /nfs/dbraw/zinc/50/05/55/347500555.db2.gz YBRSDXIYZRRZDN-UHNVWZDZSA-N 0 3 180.198 0.494 20 0 ACADHN CC[C@H](NC(=O)[C@H](N)CC)C(F)F 639077284 347500595 /nfs/dbraw/zinc/50/05/95/347500595.db2.gz LGSIDLKVIPSOAG-RITPCOANSA-N 0 3 194.225 0.884 20 0 ACADHN CC[C@@H](NC(=O)[C@@H](C)N)C(F)F 639081510 347500681 /nfs/dbraw/zinc/50/06/81/347500681.db2.gz YBRSDXIYZRRZDN-RFZPGFLSSA-N 0 3 180.198 0.494 20 0 ACADHN CC[C@H](NC(=O)C(C)(C)N)C(F)F 639080124 347500693 /nfs/dbraw/zinc/50/06/93/347500693.db2.gz PHEXYBHIVAETNO-YFKPBYRVSA-N 0 3 194.225 0.884 20 0 ACADHN CC[C@@H](NC(=O)C(C)(C)N)C(F)F 639080123 347500719 /nfs/dbraw/zinc/50/07/19/347500719.db2.gz PHEXYBHIVAETNO-RXMQYKEDSA-N 0 3 194.225 0.884 20 0 ACADHN CC[C@@H](NC(=O)CN)C(F)F 639081186 347500759 /nfs/dbraw/zinc/50/07/59/347500759.db2.gz WSNGIMIBPYSJDB-SCSAIBSYSA-N 0 3 166.171 0.105 20 0 ACADHN CC[C@@H](NC(=O)CNC)C(F)F 639080652 347500786 /nfs/dbraw/zinc/50/07/86/347500786.db2.gz SLHRNFWKVBOHOP-RXMQYKEDSA-N 0 3 180.198 0.366 20 0 ACADHN CC[C@@H](N)C(=O)N[C@H](CC)C(F)F 639077282 347500822 /nfs/dbraw/zinc/50/08/22/347500822.db2.gz LGSIDLKVIPSOAG-PHDIDXHHSA-N 0 3 194.225 0.884 20 0 ACADHN CC[C@H](NC(=O)C1(N)CC1)C(F)F 639080132 347500839 /nfs/dbraw/zinc/50/08/39/347500839.db2.gz PLWAULLWGIERBL-YFKPBYRVSA-N 0 3 192.209 0.638 20 0 ACADHN CC[C@H](NC(=O)[C@H](C)NC)C(F)F 639077996 347500943 /nfs/dbraw/zinc/50/09/43/347500943.db2.gz UEKYPAQCYZBONW-WDSKDSINSA-N 0 3 194.225 0.754 20 0 ACADHN CC[C@H](NC(=O)CN)C(F)F 639081180 347500955 /nfs/dbraw/zinc/50/09/55/347500955.db2.gz WSNGIMIBPYSJDB-BYPYZUCNSA-N 0 3 166.171 0.105 20 0 ACADHN CC[C@H](NC(=O)[C@H](C)N)C(F)F 639081513 347500965 /nfs/dbraw/zinc/50/09/65/347500965.db2.gz YBRSDXIYZRRZDN-WHFBIAKZSA-N 0 3 180.198 0.494 20 0 ACADHN CC[C@H](NC(=O)CNC)C(F)F 639080654 347500974 /nfs/dbraw/zinc/50/09/74/347500974.db2.gz SLHRNFWKVBOHOP-YFKPBYRVSA-N 0 3 180.198 0.366 20 0 ACADHN CC[C@@H](NC(=O)C1(N)CC1)C(F)F 639080131 347501002 /nfs/dbraw/zinc/50/10/02/347501002.db2.gz PLWAULLWGIERBL-RXMQYKEDSA-N 0 3 192.209 0.638 20 0 ACADHN CC[C@H](N)C(=O)N[C@H](CC)C(F)F 639079270 347501020 /nfs/dbraw/zinc/50/10/20/347501020.db2.gz LGSIDLKVIPSOAG-NTSWFWBYSA-N 0 3 194.225 0.884 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H](CC)C(F)F 639079273 347501026 /nfs/dbraw/zinc/50/10/26/347501026.db2.gz LGSIDLKVIPSOAG-WDSKDSINSA-N 0 3 194.225 0.884 20 0 ACADHN CC[C@@H](NC(=O)[C@H](C)N)C(F)F 639081508 347501037 /nfs/dbraw/zinc/50/10/37/347501037.db2.gz YBRSDXIYZRRZDN-CRCLSJGQSA-N 0 3 180.198 0.494 20 0 ACADHN C[C@@H](N[C@H](C)[C@H]1CCCO1)C(N)=O 639108789 347501314 /nfs/dbraw/zinc/50/13/14/347501314.db2.gz KXDYBFBLSSEYOT-BWZBUEFSSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H](N[C@H](C)C(N)=O)[C@H]1CCCO1 639108790 347501507 /nfs/dbraw/zinc/50/15/07/347501507.db2.gz KXDYBFBLSSEYOT-XLPZGREQSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@@H](Cc1cnccn1)NCCF 639132766 347502563 /nfs/dbraw/zinc/50/25/63/347502563.db2.gz FFTBHWBKYRJTHY-QMMMGPOBSA-N 0 3 183.230 0.967 20 0 ACADHN C[C@H](Cc1cnccn1)NCCF 639132765 347502817 /nfs/dbraw/zinc/50/28/17/347502817.db2.gz FFTBHWBKYRJTHY-MRVPVSSYSA-N 0 3 183.230 0.967 20 0 ACADHN O=c1ccc(CNCCF)c[nH]1 639133413 347503083 /nfs/dbraw/zinc/50/30/83/347503083.db2.gz PGYSFPZQAQIPPT-UHFFFAOYSA-N 0 3 170.187 0.846 20 0 ACADHN CO[C@H](CNCCF)[C@H]1CCOC1 639133804 347503113 /nfs/dbraw/zinc/50/31/13/347503113.db2.gz YOTUBEINHDTALJ-DTWKUNHWSA-N 0 3 191.246 0.597 20 0 ACADHN CO[C@H](CNCCF)[C@@H]1CCOC1 639133806 347503147 /nfs/dbraw/zinc/50/31/47/347503147.db2.gz YOTUBEINHDTALJ-RKDXNWHRSA-N 0 3 191.246 0.597 20 0 ACADHN CN(CCCO)Cc1ccc(=O)[nH]c1 639135666 347503240 /nfs/dbraw/zinc/50/32/40/347503240.db2.gz GUZJNEYUNKECDD-UHFFFAOYSA-N 0 3 196.250 0.601 20 0 ACADHN CO[C@@H](CNCCF)[C@H]1CCOC1 639133805 347503333 /nfs/dbraw/zinc/50/33/33/347503333.db2.gz YOTUBEINHDTALJ-IUCAKERBSA-N 0 3 191.246 0.597 20 0 ACADHN CO[C@]1(CN[C@@H](C)CF)CCOC1 639182272 347503623 /nfs/dbraw/zinc/50/36/23/347503623.db2.gz DUOWPVYGNMMMAC-IUCAKERBSA-N 0 3 191.246 0.740 20 0 ACADHN CO[C@]1(CN[C@H](C)CF)CCOC1 639182270 347503683 /nfs/dbraw/zinc/50/36/83/347503683.db2.gz DUOWPVYGNMMMAC-BDAKNGLRSA-N 0 3 191.246 0.740 20 0 ACADHN CO[C@@]1(CN[C@H](C)CF)CCOC1 639182273 347503722 /nfs/dbraw/zinc/50/37/22/347503722.db2.gz DUOWPVYGNMMMAC-RKDXNWHRSA-N 0 3 191.246 0.740 20 0 ACADHN C[C@H](CO)N(C)Cc1ccc(=O)[nH]c1 639173472 347503789 /nfs/dbraw/zinc/50/37/89/347503789.db2.gz BRNJUGMSRBBYBV-MRVPVSSYSA-N 0 3 196.250 0.600 20 0 ACADHN CO[C@@]1(CN[C@@H](C)CF)CCOC1 639182271 347504001 /nfs/dbraw/zinc/50/40/01/347504001.db2.gz DUOWPVYGNMMMAC-DTWKUNHWSA-N 0 3 191.246 0.740 20 0 ACADHN C[C@H](CF)N[C@H]1CCCNC(=O)C1 639183847 347504289 /nfs/dbraw/zinc/50/42/89/347504289.db2.gz WEDVNBNVEMZQQQ-SFYZADRCSA-N 0 3 188.246 0.603 20 0 ACADHN C[C@@H](CF)N[C@@H]1CCCNC(=O)C1 639183846 347504378 /nfs/dbraw/zinc/50/43/78/347504378.db2.gz WEDVNBNVEMZQQQ-JGVFFNPUSA-N 0 3 188.246 0.603 20 0 ACADHN C[C@@H](CF)N[C@H]1CCCNC(=O)C1 639183848 347504401 /nfs/dbraw/zinc/50/44/01/347504401.db2.gz WEDVNBNVEMZQQQ-YUMQZZPRSA-N 0 3 188.246 0.603 20 0 ACADHN C[C@@H](Cn1cncn1)N[C@H](C)CF 639183147 347504465 /nfs/dbraw/zinc/50/44/65/347504465.db2.gz PMQFPIWBALVEDF-SFYZADRCSA-N 0 3 186.234 0.614 20 0 ACADHN C[C@H](CF)N[C@H](C)Cn1cncn1 639183145 347504578 /nfs/dbraw/zinc/50/45/78/347504578.db2.gz PMQFPIWBALVEDF-HTQZYQBOSA-N 0 3 186.234 0.614 20 0 ACADHN C[C@@H](CF)N[C@H](C)Cn1cncn1 639183146 347504587 /nfs/dbraw/zinc/50/45/87/347504587.db2.gz PMQFPIWBALVEDF-JGVFFNPUSA-N 0 3 186.234 0.614 20 0 ACADHN C[C@H](CF)N[C@@H]1CCCNC(=O)C1 639183845 347504686 /nfs/dbraw/zinc/50/46/86/347504686.db2.gz WEDVNBNVEMZQQQ-HTQZYQBOSA-N 0 3 188.246 0.603 20 0 ACADHN C[C@@H](CF)N[C@@H](C)Cn1cncn1 639183148 347504767 /nfs/dbraw/zinc/50/47/67/347504767.db2.gz PMQFPIWBALVEDF-YUMQZZPRSA-N 0 3 186.234 0.614 20 0 ACADHN C[C@@H]1C[C@H]1CN1CC(C)(O)C1 639254000 347508441 /nfs/dbraw/zinc/50/84/41/347508441.db2.gz VZIPYYXVMVNNQR-SFYZADRCSA-N 0 3 155.241 0.709 20 0 ACADHN C[C@H]1C[C@H]1CN1CC(C)(O)C1 639254001 347508529 /nfs/dbraw/zinc/50/85/29/347508529.db2.gz VZIPYYXVMVNNQR-YUMQZZPRSA-N 0 3 155.241 0.709 20 0 ACADHN C[C@@H]1C[C@@H]1CN1CC(C)(O)C1 639253997 347508739 /nfs/dbraw/zinc/50/87/39/347508739.db2.gz VZIPYYXVMVNNQR-HTQZYQBOSA-N 0 3 155.241 0.709 20 0 ACADHN C[C@H]1C[C@@H]1CN1CC(C)(O)C1 639253999 347508838 /nfs/dbraw/zinc/50/88/38/347508838.db2.gz VZIPYYXVMVNNQR-JGVFFNPUSA-N 0 3 155.241 0.709 20 0 ACADHN CO[C@H](CNC/C=C\CO)C1CC1 639308302 347509859 /nfs/dbraw/zinc/50/98/59/347509859.db2.gz LYLUGWGBMCWYOY-MXQLGCADSA-N 0 3 185.267 0.550 20 0 ACADHN CO[C@H](CNC/C=C/CO)C1CC1 639308304 347509873 /nfs/dbraw/zinc/50/98/73/347509873.db2.gz LYLUGWGBMCWYOY-VMZHVLLKSA-N 0 3 185.267 0.550 20 0 ACADHN CO[C@@H](CNC/C=C/CO)C1CC1 639308303 347509904 /nfs/dbraw/zinc/50/99/04/347509904.db2.gz LYLUGWGBMCWYOY-PBKGFPTLSA-N 0 3 185.267 0.550 20 0 ACADHN CO[C@@H](CNC/C=C\CO)C1CC1 639308305 347509982 /nfs/dbraw/zinc/50/99/82/347509982.db2.gz LYLUGWGBMCWYOY-ZMWSMAPVSA-N 0 3 185.267 0.550 20 0 ACADHN CC(C)=CCN1CCN(C)C[C@@H]1CO 639338341 347511693 /nfs/dbraw/zinc/51/16/93/347511693.db2.gz YTPBIHAIAGEFKQ-LLVKDONJSA-N 0 3 198.310 0.561 20 0 ACADHN C[C@@H]1C[C@H]1CN1CCN(C)C[C@H]1CO 639337172 347511786 /nfs/dbraw/zinc/51/17/86/347511786.db2.gz PMRAMGWZIYXBKT-VWYCJHECSA-N 0 3 198.310 0.251 20 0 ACADHN C[C@@H]1C[C@@H]1CN1CCN(C)C[C@@H]1CO 639337161 347511819 /nfs/dbraw/zinc/51/18/19/347511819.db2.gz PMRAMGWZIYXBKT-GMTAPVOTSA-N 0 3 198.310 0.251 20 0 ACADHN CN1CCN(CC2CC2)[C@H](CO)C1 639336490 347511889 /nfs/dbraw/zinc/51/18/89/347511889.db2.gz KBWUQBAXVPFRSY-JTQLQIEISA-N 0 3 184.283 0.005 20 0 ACADHN CC(C)=CCN1CCN(C)C[C@H]1CO 639338342 347511916 /nfs/dbraw/zinc/51/19/16/347511916.db2.gz YTPBIHAIAGEFKQ-NSHDSACASA-N 0 3 198.310 0.561 20 0 ACADHN C[C@@H]1C[C@@H]1CN1CCN(C)C[C@H]1CO 639337170 347511969 /nfs/dbraw/zinc/51/19/69/347511969.db2.gz PMRAMGWZIYXBKT-MXWKQRLJSA-N 0 3 198.310 0.251 20 0 ACADHN C[C@@H]1C[C@H]1CN1CCN(C)C[C@@H]1CO 639337171 347512083 /nfs/dbraw/zinc/51/20/83/347512083.db2.gz PMRAMGWZIYXBKT-OUAUKWLOSA-N 0 3 198.310 0.251 20 0 ACADHN CC1CC(CNCc2ncnn2C)C1 639340223 347512144 /nfs/dbraw/zinc/51/21/44/347512144.db2.gz ISZMNZRPQHFKMT-UHFFFAOYSA-N 0 3 194.282 0.951 20 0 ACADHN Cn1ncnc1CNCC1CC=CC1 639346709 347512639 /nfs/dbraw/zinc/51/26/39/347512639.db2.gz UXGRITWSSJJEBU-UHFFFAOYSA-N 0 3 192.266 0.871 20 0 ACADHN CC1(NCC[C@H]2CCOC2)COC1 639380803 347514425 /nfs/dbraw/zinc/51/44/25/347514425.db2.gz KNXHXQYDMDAZNF-VIFPVBQESA-N 0 3 185.267 0.792 20 0 ACADHN CC1(NCC[C@@H]2CCOC2)COC1 639380801 347514705 /nfs/dbraw/zinc/51/47/05/347514705.db2.gz KNXHXQYDMDAZNF-SECBINFHSA-N 0 3 185.267 0.792 20 0 ACADHN CO[C@@H](CNC1(C)COC1)C1CC1 639381236 347515421 /nfs/dbraw/zinc/51/54/21/347515421.db2.gz TVMFYAJVGAFCGJ-VIFPVBQESA-N 0 3 185.267 0.790 20 0 ACADHN CC1(NCC2CC2)COC1 639382118 347515530 /nfs/dbraw/zinc/51/55/30/347515530.db2.gz MOFNGALRLIHFGA-UHFFFAOYSA-N 0 3 141.214 0.775 20 0 ACADHN CO[C@H](CNC1(C)COC1)C1CC1 639381230 347515536 /nfs/dbraw/zinc/51/55/36/347515536.db2.gz TVMFYAJVGAFCGJ-SECBINFHSA-N 0 3 185.267 0.790 20 0 ACADHN C[C@@H]1OCC[C@@H]1CN1CCOCC1 639436719 347517236 /nfs/dbraw/zinc/51/72/36/347517236.db2.gz XYVJULGCJDIOHZ-VHSXEESVSA-N 0 3 185.267 0.744 20 0 ACADHN C[C@H]1OCC[C@H]1CN1CCOCC1 639436720 347517350 /nfs/dbraw/zinc/51/73/50/347517350.db2.gz XYVJULGCJDIOHZ-ZJUUUORDSA-N 0 3 185.267 0.744 20 0 ACADHN C[C@H]1OCC[C@@H]1CN1CCOCC1 639436717 347517386 /nfs/dbraw/zinc/51/73/86/347517386.db2.gz XYVJULGCJDIOHZ-NXEZZACHSA-N 0 3 185.267 0.744 20 0 ACADHN C[C@@H]1OCC[C@H]1CN1CCOCC1 639436718 347517434 /nfs/dbraw/zinc/51/74/34/347517434.db2.gz XYVJULGCJDIOHZ-UWVGGRQHSA-N 0 3 185.267 0.744 20 0 ACADHN C[C@@H]1OCC[C@@H]1CN1CCN(C)CC1 639446132 347517828 /nfs/dbraw/zinc/51/78/28/347517828.db2.gz OFVRCTAWRJCXBM-WDEREUQCSA-N 0 3 198.310 0.659 20 0 ACADHN C[C@H]1OCC[C@H]1CN1CCN(C)CC1 639446129 347517910 /nfs/dbraw/zinc/51/79/10/347517910.db2.gz OFVRCTAWRJCXBM-MNOVXSKESA-N 0 3 198.310 0.659 20 0 ACADHN C[C@@H]1OCC[C@H]1CN1CCN(C)CC1 639446130 347517962 /nfs/dbraw/zinc/51/79/62/347517962.db2.gz OFVRCTAWRJCXBM-QWRGUYRKSA-N 0 3 198.310 0.659 20 0 ACADHN C[C@H]1OCC[C@@H]1CN1CCN(C)CC1 639446128 347518135 /nfs/dbraw/zinc/51/81/35/347518135.db2.gz OFVRCTAWRJCXBM-GHMZBOCLSA-N 0 3 198.310 0.659 20 0 ACADHN CCN(CC(C)=O)C[C@H]1CCOC1 639453564 347518651 /nfs/dbraw/zinc/51/86/51/347518651.db2.gz JEASLSTXOMBHFO-SNVBAGLBSA-N 0 3 185.267 0.934 20 0 ACADHN CCN(CC(C)=O)C[C@@H]1CCOC1 639453563 347518697 /nfs/dbraw/zinc/51/86/97/347518697.db2.gz JEASLSTXOMBHFO-JTQLQIEISA-N 0 3 185.267 0.934 20 0 ACADHN CC1(C)CO[C@@H](CN2CC[C@@H](O)C2)C1 639475532 347519612 /nfs/dbraw/zinc/51/96/12/347519612.db2.gz QPYOQEHVJMRXCP-NXEZZACHSA-N 0 3 199.294 0.868 20 0 ACADHN CC(=O)CN1CCCN(C(C)C)CC1 639472006 347519696 /nfs/dbraw/zinc/51/96/96/347519696.db2.gz UUTPNWALTIGUTK-UHFFFAOYSA-N 0 3 198.310 0.992 20 0 ACADHN Cn1cncc1CCN1CC[C@@H](O)C1 639475984 347519767 /nfs/dbraw/zinc/51/97/67/347519767.db2.gz YGVYMHWOJHPLHC-SNVBAGLBSA-N 0 3 195.266 0.029 20 0 ACADHN CC1(C)CO[C@H](CN2CC[C@@H](O)C2)C1 639475533 347519812 /nfs/dbraw/zinc/51/98/12/347519812.db2.gz QPYOQEHVJMRXCP-ZJUUUORDSA-N 0 3 199.294 0.868 20 0 ACADHN CC(=O)CN1CC[C@@H](CN(C)C)C1 639489925 347520178 /nfs/dbraw/zinc/52/01/78/347520178.db2.gz UPMXCQUUMGBJLB-JTQLQIEISA-N 0 3 184.283 0.459 20 0 ACADHN CC(=O)CN[C@H](C)Cn1cccn1 639480486 347520288 /nfs/dbraw/zinc/52/02/88/347520288.db2.gz JPPWFVUTSFREIH-MRVPVSSYSA-N 0 3 181.239 0.450 20 0 ACADHN CC(=O)CN1CC[C@H](CN(C)C)C1 639489929 347520392 /nfs/dbraw/zinc/52/03/92/347520392.db2.gz UPMXCQUUMGBJLB-SNVBAGLBSA-N 0 3 184.283 0.459 20 0 ACADHN Cn1cncc1CCN1CC[C@H](O)C1 639477130 347520446 /nfs/dbraw/zinc/52/04/46/347520446.db2.gz YGVYMHWOJHPLHC-JTQLQIEISA-N 0 3 195.266 0.029 20 0 ACADHN CC(=O)CN[C@@H](C)Cn1cccn1 639480487 347520569 /nfs/dbraw/zinc/52/05/69/347520569.db2.gz JPPWFVUTSFREIH-QMMMGPOBSA-N 0 3 181.239 0.450 20 0 ACADHN CC(=O)CN1CC[C@@H]([C@H]2CCOC2)C1 639545525 347523128 /nfs/dbraw/zinc/52/31/28/347523128.db2.gz XVCMNXZYMARAPN-MNOVXSKESA-N 0 3 197.278 0.934 20 0 ACADHN CC(=O)CN1CCC[C@H]1C(C)(C)O 639541589 347523263 /nfs/dbraw/zinc/52/32/63/347523263.db2.gz PNGCPOSFZQDDCP-VIFPVBQESA-N 0 3 185.267 0.811 20 0 ACADHN CC(=O)CN1CC[C@H]([C@@H]2CCOC2)C1 639545527 347523363 /nfs/dbraw/zinc/52/33/63/347523363.db2.gz XVCMNXZYMARAPN-WDEREUQCSA-N 0 3 197.278 0.934 20 0 ACADHN CC(=O)CN1CCC[C@@H]1C(C)(C)O 639541588 347523693 /nfs/dbraw/zinc/52/36/93/347523693.db2.gz PNGCPOSFZQDDCP-SECBINFHSA-N 0 3 185.267 0.811 20 0 ACADHN CC(=O)CN1CC[C@@H]([C@@H]2CCOC2)C1 639545524 347523724 /nfs/dbraw/zinc/52/37/24/347523724.db2.gz XVCMNXZYMARAPN-GHMZBOCLSA-N 0 3 197.278 0.934 20 0 ACADHN CC(=O)CN1CC[C@H]([C@H]2CCOC2)C1 639545526 347523803 /nfs/dbraw/zinc/52/38/03/347523803.db2.gz XVCMNXZYMARAPN-QWRGUYRKSA-N 0 3 197.278 0.934 20 0 ACADHN COC[C@@H](NCC(C)=O)C(C)C 639579802 347525312 /nfs/dbraw/zinc/52/53/12/347525312.db2.gz LRPJMXLIYQXHOO-SECBINFHSA-N 0 3 173.256 0.836 20 0 ACADHN COC[C@H](NCC(C)=O)C(C)C 639579803 347525393 /nfs/dbraw/zinc/52/53/93/347525393.db2.gz LRPJMXLIYQXHOO-VIFPVBQESA-N 0 3 173.256 0.836 20 0 ACADHN C[C@H]1OCC[C@H]1CNC1(C(N)=O)CC1 639572474 347525457 /nfs/dbraw/zinc/52/54/57/347525457.db2.gz PKBNPKQBDJNSRS-SFYZADRCSA-N 0 3 198.266 0.019 20 0 ACADHN C[C@H]1OCC[C@@H]1CNC1(C(N)=O)CC1 639572472 347525640 /nfs/dbraw/zinc/52/56/40/347525640.db2.gz PKBNPKQBDJNSRS-HTQZYQBOSA-N 0 3 198.266 0.019 20 0 ACADHN C[C@@H]1OCC[C@@H]1CNC1(C(N)=O)CC1 639572473 347525651 /nfs/dbraw/zinc/52/56/51/347525651.db2.gz PKBNPKQBDJNSRS-JGVFFNPUSA-N 0 3 198.266 0.019 20 0 ACADHN C[C@@H]1OCC[C@H]1CNC1(C(N)=O)CC1 639572475 347525728 /nfs/dbraw/zinc/52/57/28/347525728.db2.gz PKBNPKQBDJNSRS-YUMQZZPRSA-N 0 3 198.266 0.019 20 0 ACADHN CC(=O)CN[C@@H](C)[C@@H]1CCOC1 639585136 347526566 /nfs/dbraw/zinc/52/65/66/347526566.db2.gz WVIKYBDZIFMUNY-DTWKUNHWSA-N 0 3 171.240 0.590 20 0 ACADHN CC(=O)CN[C@H](CO)C(C)C 639576195 347525884 /nfs/dbraw/zinc/52/58/84/347525884.db2.gz VMOSNMMBAJWVII-MRVPVSSYSA-N 0 3 159.229 0.182 20 0 ACADHN CC(=O)CN[C@@H](CCO)C(C)C 639578200 347525950 /nfs/dbraw/zinc/52/59/50/347525950.db2.gz OZEMAXDTJONNTO-VIFPVBQESA-N 0 3 173.256 0.572 20 0 ACADHN CC(=O)CN[C@H](CCO)C(C)C 639578199 347525970 /nfs/dbraw/zinc/52/59/70/347525970.db2.gz OZEMAXDTJONNTO-SECBINFHSA-N 0 3 173.256 0.572 20 0 ACADHN CC(=O)CN[C@@H](C)[C@@H]1CCCOC1 639582133 347526180 /nfs/dbraw/zinc/52/61/80/347526180.db2.gz RQEBXHRURLQDCC-VHSXEESVSA-N 0 3 185.267 0.980 20 0 ACADHN CC(=O)CN[C@@H](C)[C@H]1CCOC1 639585137 347526215 /nfs/dbraw/zinc/52/62/15/347526215.db2.gz WVIKYBDZIFMUNY-IUCAKERBSA-N 0 3 171.240 0.590 20 0 ACADHN CC(=O)CN[C@H](C)[C@H]1CCCOC1 639582134 347526257 /nfs/dbraw/zinc/52/62/57/347526257.db2.gz RQEBXHRURLQDCC-ZJUUUORDSA-N 0 3 185.267 0.980 20 0 ACADHN CC(=O)CN(C)CCN(C)C1CC1 639589549 347526300 /nfs/dbraw/zinc/52/63/00/347526300.db2.gz ODEVPLLCLSSEDH-UHFFFAOYSA-N 0 3 184.283 0.601 20 0 ACADHN CC(=O)CN[C@@H]1CCCC[C@@H]1C(N)=O 639584055 347526395 /nfs/dbraw/zinc/52/63/95/347526395.db2.gz JGCHAGGKPBRRKG-DTWKUNHWSA-N 0 3 198.266 0.209 20 0 ACADHN CC(=O)CN[C@H](C)[C@@H]1CCOC1 639585138 347526482 /nfs/dbraw/zinc/52/64/82/347526482.db2.gz WVIKYBDZIFMUNY-RKDXNWHRSA-N 0 3 171.240 0.590 20 0 ACADHN CC(=O)CN[C@@H]1CCCC[C@H]1C(N)=O 639584058 347526522 /nfs/dbraw/zinc/52/65/22/347526522.db2.gz JGCHAGGKPBRRKG-RKDXNWHRSA-N 0 3 198.266 0.209 20 0 ACADHN CC(=O)CN[C@H]1CCCC[C@H]1C(N)=O 639584054 347526549 /nfs/dbraw/zinc/52/65/49/347526549.db2.gz JGCHAGGKPBRRKG-BDAKNGLRSA-N 0 3 198.266 0.209 20 0 ACADHN CC(=O)CN1CCC[C@]1(C)CO 639585865 347526577 /nfs/dbraw/zinc/52/65/77/347526577.db2.gz WKKKMVFKVZJOJJ-SECBINFHSA-N 0 3 171.240 0.422 20 0 ACADHN CC(=O)CN[C@@H](C)[C@H]1CCCOC1 639582132 347526617 /nfs/dbraw/zinc/52/66/17/347526617.db2.gz RQEBXHRURLQDCC-UWVGGRQHSA-N 0 3 185.267 0.980 20 0 ACADHN CC(=O)CN[C@H]1CCCC[C@@H]1C(N)=O 639584057 347526680 /nfs/dbraw/zinc/52/66/80/347526680.db2.gz JGCHAGGKPBRRKG-IUCAKERBSA-N 0 3 198.266 0.209 20 0 ACADHN CC(=O)CN1CCC[C@@]1(C)CO 639585866 347526706 /nfs/dbraw/zinc/52/67/06/347526706.db2.gz WKKKMVFKVZJOJJ-VIFPVBQESA-N 0 3 171.240 0.422 20 0 ACADHN CC(=O)CN[C@H](C)[C@H]1CCOC1 639585135 347526714 /nfs/dbraw/zinc/52/67/14/347526714.db2.gz WVIKYBDZIFMUNY-BDAKNGLRSA-N 0 3 171.240 0.590 20 0 ACADHN CC(=O)CN[C@H](C)[C@@H]1CCCOC1 639582131 347526816 /nfs/dbraw/zinc/52/68/16/347526816.db2.gz RQEBXHRURLQDCC-NXEZZACHSA-N 0 3 185.267 0.980 20 0 ACADHN CC[C@]1(CO)CCCN1CC(C)=O 639604279 347527670 /nfs/dbraw/zinc/52/76/70/347527670.db2.gz MLWOHJDWRLDUKW-SNVBAGLBSA-N 0 3 185.267 0.812 20 0 ACADHN CC[C@@]1(CO)CCCN1CC(C)=O 639604278 347527826 /nfs/dbraw/zinc/52/78/26/347527826.db2.gz MLWOHJDWRLDUKW-JTQLQIEISA-N 0 3 185.267 0.812 20 0 ACADHN CC[C@]1(NCC(C)=O)CCOC1 639611034 347528275 /nfs/dbraw/zinc/52/82/75/347528275.db2.gz ORZOGZNWAUATIE-VIFPVBQESA-N 0 3 171.240 0.734 20 0 ACADHN CC[C@@]1(NCC(C)=O)CCOC1 639611033 347528543 /nfs/dbraw/zinc/52/85/43/347528543.db2.gz ORZOGZNWAUATIE-SECBINFHSA-N 0 3 171.240 0.734 20 0 ACADHN CC(=O)CN[C@H]1CSC[C@@H]1C 639641499 347529203 /nfs/dbraw/zinc/52/92/03/347529203.db2.gz KLXZUHCRHQYHIG-XPUUQOCRSA-N 0 3 173.281 0.917 20 0 ACADHN CC(=O)CN[C@@H]1CSC[C@@H]1C 639641495 347529246 /nfs/dbraw/zinc/52/92/46/347529246.db2.gz KLXZUHCRHQYHIG-POYBYMJQSA-N 0 3 173.281 0.917 20 0 ACADHN CC(=O)CN[C@H]1CCC[C@@H]1CCO 639633450 347529291 /nfs/dbraw/zinc/52/92/91/347529291.db2.gz KSPWKRQQEMMTJV-ZJUUUORDSA-N 0 3 185.267 0.716 20 0 ACADHN CC(=O)CN[C@]1(C)CCO[C@H]1C 639633422 347529313 /nfs/dbraw/zinc/52/93/13/347529313.db2.gz KHFYWWWNDFWTMZ-DTWKUNHWSA-N 0 3 171.240 0.733 20 0 ACADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(C)=O 639633737 347529332 /nfs/dbraw/zinc/52/93/32/347529332.db2.gz QFPAQINEQHFRIZ-BDAKNGLRSA-N 0 3 198.266 0.080 20 0 ACADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(C)=O 639633739 347529350 /nfs/dbraw/zinc/52/93/50/347529350.db2.gz QFPAQINEQHFRIZ-IUCAKERBSA-N 0 3 198.266 0.080 20 0 ACADHN CC(=O)CN[C@@H]1CSC[C@H]1C 639641490 347529400 /nfs/dbraw/zinc/52/94/00/347529400.db2.gz KLXZUHCRHQYHIG-HTRCEHHLSA-N 0 3 173.281 0.917 20 0 ACADHN CNC(=O)[C@H]1CCC[C@H]1NCC(C)=O 639633738 347529458 /nfs/dbraw/zinc/52/94/58/347529458.db2.gz QFPAQINEQHFRIZ-DTWKUNHWSA-N 0 3 198.266 0.080 20 0 ACADHN CC(=O)CN[C@@H](CO)C1CCCC1 639650206 347529572 /nfs/dbraw/zinc/52/95/72/347529572.db2.gz SUXWXZMQPUEAGK-JTQLQIEISA-N 0 3 185.267 0.716 20 0 ACADHN CC(=O)CN[C@@]1(C)CCO[C@@H]1C 639633421 347529592 /nfs/dbraw/zinc/52/95/92/347529592.db2.gz KHFYWWWNDFWTMZ-BDAKNGLRSA-N 0 3 171.240 0.733 20 0 ACADHN CC(=O)CN[C@@H]1CCC[C@@H]1CCO 639633447 347529606 /nfs/dbraw/zinc/52/96/06/347529606.db2.gz KSPWKRQQEMMTJV-NXEZZACHSA-N 0 3 185.267 0.716 20 0 ACADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(C)=O 639633740 347529611 /nfs/dbraw/zinc/52/96/11/347529611.db2.gz QFPAQINEQHFRIZ-RKDXNWHRSA-N 0 3 198.266 0.080 20 0 ACADHN CC(=O)CN[C@@]1(C)CCO[C@H]1C 639633423 347529684 /nfs/dbraw/zinc/52/96/84/347529684.db2.gz KHFYWWWNDFWTMZ-IUCAKERBSA-N 0 3 171.240 0.733 20 0 ACADHN CC(=O)CN[C@@H]1CCC[C@H]1CCO 639633449 347529691 /nfs/dbraw/zinc/52/96/91/347529691.db2.gz KSPWKRQQEMMTJV-VHSXEESVSA-N 0 3 185.267 0.716 20 0 ACADHN CC(=O)CN[C@]1(C)CCO[C@@H]1C 639633424 347529719 /nfs/dbraw/zinc/52/97/19/347529719.db2.gz KHFYWWWNDFWTMZ-RKDXNWHRSA-N 0 3 171.240 0.733 20 0 ACADHN CC(=O)CN[C@H]1CSC[C@H]1C 639641498 347529722 /nfs/dbraw/zinc/52/97/22/347529722.db2.gz KLXZUHCRHQYHIG-SVRRBLITSA-N 0 3 173.281 0.917 20 0 ACADHN CC(=O)CN[C@H]1CCC[C@H]1CCO 639633448 347529741 /nfs/dbraw/zinc/52/97/41/347529741.db2.gz KSPWKRQQEMMTJV-UWVGGRQHSA-N 0 3 185.267 0.716 20 0 ACADHN CC(=O)CN1CC[C@H](O)C12CCCC2 639655039 347530005 /nfs/dbraw/zinc/53/00/05/347530005.db2.gz NCAABFAHQYVZPQ-JTQLQIEISA-N 0 3 197.278 0.955 20 0 ACADHN CC(=O)CN[C@@H](C1CC1)C(C)(C)CO 639657278 347530074 /nfs/dbraw/zinc/53/00/74/347530074.db2.gz OGNIGHRKODFISV-JTQLQIEISA-N 0 3 199.294 0.962 20 0 ACADHN CC(=O)CN[C@H](C1CC1)C(C)(C)CO 639657279 347530113 /nfs/dbraw/zinc/53/01/13/347530113.db2.gz OGNIGHRKODFISV-SNVBAGLBSA-N 0 3 199.294 0.962 20 0 ACADHN CC(=O)CN1CC[C@@H](O)C12CCCC2 639655040 347530125 /nfs/dbraw/zinc/53/01/25/347530125.db2.gz NCAABFAHQYVZPQ-SNVBAGLBSA-N 0 3 197.278 0.955 20 0 ACADHN CC(=O)CN[C@H](CO)C1CCCC1 639650207 347530328 /nfs/dbraw/zinc/53/03/28/347530328.db2.gz SUXWXZMQPUEAGK-SNVBAGLBSA-N 0 3 185.267 0.716 20 0 ACADHN CC(=O)CN[C@@H]1[C@H]2CCO[C@H]2C1(C)C 639662313 347530963 /nfs/dbraw/zinc/53/09/63/347530963.db2.gz KHWIPWGWKGBQKU-OPRDCNLKSA-N 0 3 197.278 0.979 20 0 ACADHN CC(=O)CN[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 639662311 347531073 /nfs/dbraw/zinc/53/10/73/347531073.db2.gz KHWIPWGWKGBQKU-BBBLOLIVSA-N 0 3 197.278 0.979 20 0 ACADHN CC(=O)CN[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 639662312 347531098 /nfs/dbraw/zinc/53/10/98/347531098.db2.gz KHWIPWGWKGBQKU-IVZWLZJFSA-N 0 3 197.278 0.979 20 0 ACADHN CC(=O)CN[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 639662310 347531235 /nfs/dbraw/zinc/53/12/35/347531235.db2.gz KHWIPWGWKGBQKU-AEJSXWLSSA-N 0 3 197.278 0.979 20 0 ACADHN CC(=O)CN[C@@H]1C[C@@H](O)C1(C)C 639665877 347531252 /nfs/dbraw/zinc/53/12/52/347531252.db2.gz ZJPHVJJVRMLPFU-HTQZYQBOSA-N 0 3 171.240 0.324 20 0 ACADHN CC(=O)CNC(C)(C)CN(C)C 639669147 347531692 /nfs/dbraw/zinc/53/16/92/347531692.db2.gz QLJLLLOZSWEHFT-UHFFFAOYSA-N 0 3 172.272 0.505 20 0 ACADHN CC(=O)CN1C[C@H]2CCN(C)[C@H]2C1 639666533 347531746 /nfs/dbraw/zinc/53/17/46/347531746.db2.gz UKKMMEMHHCYOKV-ZJUUUORDSA-N 0 3 182.267 0.211 20 0 ACADHN CO[C@@H]1CCC[C@H]1NCC(C)=O 639666346 347531773 /nfs/dbraw/zinc/53/17/73/347531773.db2.gz QSCKSYOIWPXQIZ-RKDXNWHRSA-N 0 3 171.240 0.733 20 0 ACADHN CC(=O)CN[C@H]1C[C@H](O)C1(C)C 639665880 347531803 /nfs/dbraw/zinc/53/18/03/347531803.db2.gz ZJPHVJJVRMLPFU-YUMQZZPRSA-N 0 3 171.240 0.324 20 0 ACADHN CC(=O)CN(C)[C@H]1CCN(C(C)C)C1 639670225 347531824 /nfs/dbraw/zinc/53/18/24/347531824.db2.gz IWPCKUHIVISNTF-NSHDSACASA-N 0 3 198.310 0.990 20 0 ACADHN CC(=O)CN[C@@H]1C[C@H](O)C1(C)C 639665879 347531901 /nfs/dbraw/zinc/53/19/01/347531901.db2.gz ZJPHVJJVRMLPFU-SFYZADRCSA-N 0 3 171.240 0.324 20 0 ACADHN CC(=O)CN[C@H]1C[C@@H](O)C1(C)C 639665878 347531906 /nfs/dbraw/zinc/53/19/06/347531906.db2.gz ZJPHVJJVRMLPFU-JGVFFNPUSA-N 0 3 171.240 0.324 20 0 ACADHN CN1CCN(CC2CCC2)[C@@H](CO)C1 639865890 347539297 /nfs/dbraw/zinc/53/92/97/347539297.db2.gz AXTMFDNMKGXZMC-LLVKDONJSA-N 0 3 198.310 0.395 20 0 ACADHN CN1CCN(CC2CCC2)[C@H](CO)C1 639865894 347539647 /nfs/dbraw/zinc/53/96/47/347539647.db2.gz AXTMFDNMKGXZMC-NSHDSACASA-N 0 3 198.310 0.395 20 0 ACADHN CCOCCN[C@](C)(CO)COC 639951309 347541005 /nfs/dbraw/zinc/54/10/05/347541005.db2.gz JGCYJOKGYZVYQD-SECBINFHSA-N 0 3 191.271 0.010 20 0 ACADHN CC(=O)CN(C)Cc1cn[nH]c1C 639972482 347541170 /nfs/dbraw/zinc/54/11/70/347541170.db2.gz SKZYSXIEFRGCAR-UHFFFAOYSA-N 0 3 181.239 0.739 20 0 ACADHN CCOCCN[C@@](C)(CO)COC 639951310 347541277 /nfs/dbraw/zinc/54/12/77/347541277.db2.gz JGCYJOKGYZVYQD-VIFPVBQESA-N 0 3 191.271 0.010 20 0 ACADHN CC1(F)CCN(CCO)CC1 640071741 347544368 /nfs/dbraw/zinc/54/43/68/347544368.db2.gz FJOLNPYPBMXECB-UHFFFAOYSA-N 0 3 161.220 0.803 20 0 ACADHN CCC[C@@H](N)c1cn(CC(C)=O)nn1 640753814 347557315 /nfs/dbraw/zinc/55/73/15/347557315.db2.gz MJDRJHPOTBSOAH-MRVPVSSYSA-N 0 3 196.254 0.667 20 0 ACADHN CC(=O)Cn1cc([C@H](N)C(C)C)nn1 640753867 347557389 /nfs/dbraw/zinc/55/73/89/347557389.db2.gz OYIBXNQJNOMLNB-SECBINFHSA-N 0 3 196.254 0.523 20 0 ACADHN CCCn1cc(CCN(C)C)nn1 640753576 347557394 /nfs/dbraw/zinc/55/73/94/347557394.db2.gz UWBKKHVOYWLPHO-UHFFFAOYSA-N 0 3 182.271 0.792 20 0 ACADHN CCC[C@H](N)c1cn(CC(C)=O)nn1 640753815 347557447 /nfs/dbraw/zinc/55/74/47/347557447.db2.gz MJDRJHPOTBSOAH-QMMMGPOBSA-N 0 3 196.254 0.667 20 0 ACADHN CC(=O)Cn1cc([C@@H](N)C(C)C)nn1 640753869 347557485 /nfs/dbraw/zinc/55/74/85/347557485.db2.gz OYIBXNQJNOMLNB-VIFPVBQESA-N 0 3 196.254 0.523 20 0 ACADHN CC[C@@](C)(N)c1cn(CC(C)=O)nn1 640754103 347557969 /nfs/dbraw/zinc/55/79/69/347557969.db2.gz UBNNCJTXTJTSKJ-SECBINFHSA-N 0 3 196.254 0.451 20 0 ACADHN CC[C@H](N)c1cn(CC(C)=O)nn1 640754407 347558101 /nfs/dbraw/zinc/55/81/01/347558101.db2.gz XSWRPBYWOVPJPM-ZETCQYMHSA-N 0 3 182.227 0.277 20 0 ACADHN CC[C@@H](N)c1cn(CC(C)=O)nn1 640754404 347558178 /nfs/dbraw/zinc/55/81/78/347558178.db2.gz XSWRPBYWOVPJPM-SSDOTTSWSA-N 0 3 182.227 0.277 20 0 ACADHN CC[C@](C)(N)c1cn(CC(C)=O)nn1 640754104 347558257 /nfs/dbraw/zinc/55/82/57/347558257.db2.gz UBNNCJTXTJTSKJ-VIFPVBQESA-N 0 3 196.254 0.451 20 0 ACADHN CCn1cc(CCN(C)C)nn1 641187642 347562077 /nfs/dbraw/zinc/56/20/77/347562077.db2.gz OMTCWGOSPJWGDK-UHFFFAOYSA-N 0 3 168.244 0.402 20 0 ACADHN CC(C)N(C)CC(=O)N1CC[C@@H]1C 641242084 347564712 /nfs/dbraw/zinc/56/47/12/347564712.db2.gz LNNSDMBNKUORKP-VIFPVBQESA-N 0 3 184.283 0.947 20 0 ACADHN CC(C)N(C)CC(=O)N1CC[C@H]1C 641242083 347564717 /nfs/dbraw/zinc/56/47/17/347564717.db2.gz LNNSDMBNKUORKP-SECBINFHSA-N 0 3 184.283 0.947 20 0 ACADHN CC[C@H](C(=O)N1CC[C@H]1C)N(C)C 641242523 347564737 /nfs/dbraw/zinc/56/47/37/347564737.db2.gz NXQKXCVINBDBBS-RKDXNWHRSA-N 0 3 184.283 0.947 20 0 ACADHN CC[C@@H](C(=O)N1CC[C@H]1C)N(C)C 641242518 347564866 /nfs/dbraw/zinc/56/48/66/347564866.db2.gz NXQKXCVINBDBBS-BDAKNGLRSA-N 0 3 184.283 0.947 20 0 ACADHN CC[C@@H](C(=O)N1CC[C@@H]1C)N(C)C 641242521 347564941 /nfs/dbraw/zinc/56/49/41/347564941.db2.gz NXQKXCVINBDBBS-IUCAKERBSA-N 0 3 184.283 0.947 20 0 ACADHN CC[C@H](C(=O)N1CC[C@@H]1C)N(C)C 641242519 347564973 /nfs/dbraw/zinc/56/49/73/347564973.db2.gz NXQKXCVINBDBBS-DTWKUNHWSA-N 0 3 184.283 0.947 20 0 ACADHN CCCN(C)CC(=O)N1CC[C@H]1C 641245357 347567284 /nfs/dbraw/zinc/56/72/84/347567284.db2.gz YWCFVOGUQJIHKK-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CCCN(C)CC(=O)N1CC[C@@H]1C 641245358 347567409 /nfs/dbraw/zinc/56/74/09/347567409.db2.gz YWCFVOGUQJIHKK-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN CN(C)CCNc1ccncc1F 641252518 347568957 /nfs/dbraw/zinc/56/89/57/347568957.db2.gz OFTVFGRHSRIVOW-UHFFFAOYSA-N 0 3 183.230 0.616 20 0 ACADHN CN(C)CCNc1cc(CO)ccn1 641252729 347569516 /nfs/dbraw/zinc/56/95/16/347569516.db2.gz RMBMSEDKFGCQAS-UHFFFAOYSA-N 0 3 195.266 0.547 20 0 ACADHN Cc1cncnc1N(C)CCN(C)C 641427731 347572438 /nfs/dbraw/zinc/57/24/38/347572438.db2.gz OGKZMRULLBWYPG-UHFFFAOYSA-N 0 3 194.282 0.783 20 0 ACADHN Cc1cncnc1N1CC(N(C)C)C1 641465270 347572743 /nfs/dbraw/zinc/57/27/43/347572743.db2.gz CBZSRASTGHAAGX-UHFFFAOYSA-N 0 3 192.266 0.535 20 0 ACADHN CN(C)C1CN(c2ccncc2F)C1 641465634 347573221 /nfs/dbraw/zinc/57/32/21/347573221.db2.gz HFLMHASFWIIBQM-UHFFFAOYSA-N 0 3 195.241 0.971 20 0 ACADHN C[C@H](CO)CNCc1ccncc1N 641709805 347580198 /nfs/dbraw/zinc/58/01/98/347580198.db2.gz IBDDPNGKJRYIBX-QMMMGPOBSA-N 0 3 195.266 0.382 20 0 ACADHN OCCNCc1ccc2c(n1)CCC2 641702845 347580262 /nfs/dbraw/zinc/58/02/62/347580262.db2.gz ABGQNQNPLSBXHC-UHFFFAOYSA-N 0 3 192.262 0.652 20 0 ACADHN C[C@@H](CO)CNCc1ccncc1N 641709804 347580445 /nfs/dbraw/zinc/58/04/45/347580445.db2.gz IBDDPNGKJRYIBX-MRVPVSSYSA-N 0 3 195.266 0.382 20 0 ACADHN CC[C@H](O)CNCc1ccncc1N 641756246 347583311 /nfs/dbraw/zinc/58/33/11/347583311.db2.gz GVUCHNYLECTUNB-VIFPVBQESA-N 0 3 195.266 0.524 20 0 ACADHN CC[C@@H](O)CNCc1ccncc1N 641762152 347583419 /nfs/dbraw/zinc/58/34/19/347583419.db2.gz GVUCHNYLECTUNB-SECBINFHSA-N 0 3 195.266 0.524 20 0 ACADHN COC[C@H](C)NCc1cnc(C)n1C 641789944 347584263 /nfs/dbraw/zinc/58/42/63/347584263.db2.gz AJVDNEGEPDFDRR-QMMMGPOBSA-N 0 3 197.282 0.853 20 0 ACADHN O=C(CC1CC1)NCCN1CCCC1 642130307 347589721 /nfs/dbraw/zinc/58/97/21/347589721.db2.gz GKKVOJBPVFDGCL-UHFFFAOYSA-N 0 3 196.294 0.999 20 0 ACADHN O=C(CN1C2CCC1CC2)N1CCC1 642187888 347590213 /nfs/dbraw/zinc/59/02/13/347590213.db2.gz WJSAUFNWFUMXIV-UHFFFAOYSA-N 0 3 194.278 0.846 20 0 ACADHN C[C@H](CNC(=O)c1ccoc1)N(C)C 642152365 347590254 /nfs/dbraw/zinc/59/02/54/347590254.db2.gz XNPYVUPTBPVIAI-MRVPVSSYSA-N 0 3 196.250 0.960 20 0 ACADHN C[C@@H](CNC(=O)c1ccoc1)N(C)C 642152366 347590445 /nfs/dbraw/zinc/59/04/45/347590445.db2.gz XNPYVUPTBPVIAI-QMMMGPOBSA-N 0 3 196.250 0.960 20 0 ACADHN COCCN(CCOC)C1CC1 642233850 347591333 /nfs/dbraw/zinc/59/13/33/347591333.db2.gz XXTWHLGCOUFRTP-UHFFFAOYSA-N 0 3 173.256 0.744 20 0 ACADHN C[C@H](CNC(=O)c1ccc[nH]1)N(C)C 642244197 347591526 /nfs/dbraw/zinc/59/15/26/347591526.db2.gz NAGTWHXQEVTJAJ-MRVPVSSYSA-N 0 3 195.266 0.695 20 0 ACADHN C[C@@H](CNC(=O)c1ccc[nH]1)N(C)C 642244198 347591586 /nfs/dbraw/zinc/59/15/86/347591586.db2.gz NAGTWHXQEVTJAJ-QMMMGPOBSA-N 0 3 195.266 0.695 20 0 ACADHN c1cnn(OCCN2CCCCC2)c1 642365296 347594515 /nfs/dbraw/zinc/59/45/15/347594515.db2.gz JMXKNUBQUNFWFA-UHFFFAOYSA-N 0 3 195.266 0.798 20 0 ACADHN CNC(=O)CN(C1CC1)[C@@H](C)C1CC1 642634483 347597546 /nfs/dbraw/zinc/59/75/46/347597546.db2.gz BLVPWUOXFIUXND-QMMMGPOBSA-N 0 3 196.294 0.995 20 0 ACADHN CNC(=O)CN(C1CC1)[C@H](C)C1CC1 642634482 347597620 /nfs/dbraw/zinc/59/76/20/347597620.db2.gz BLVPWUOXFIUXND-MRVPVSSYSA-N 0 3 196.294 0.995 20 0 ACADHN CO[C@H](CC(C)C)CN(C)CCO 642650951 347599122 /nfs/dbraw/zinc/59/91/22/347599122.db2.gz DLJUNLGTRKSJQY-SNVBAGLBSA-N 0 3 189.299 0.972 20 0 ACADHN CC[C@@H](CN(C)CCOC)OC 642680536 347599172 /nfs/dbraw/zinc/59/91/72/347599172.db2.gz VSHNSGBRWAUSQJ-VIFPVBQESA-N 0 3 175.272 0.990 20 0 ACADHN CC[C@H](CN(C)CCOC)OC 642680535 347599196 /nfs/dbraw/zinc/59/91/96/347599196.db2.gz VSHNSGBRWAUSQJ-SECBINFHSA-N 0 3 175.272 0.990 20 0 ACADHN CO[C@@H](CC(C)C)CN(C)CCO 642650950 347599472 /nfs/dbraw/zinc/59/94/72/347599472.db2.gz DLJUNLGTRKSJQY-JTQLQIEISA-N 0 3 189.299 0.972 20 0 ACADHN O[C@@H]1CCN(CCOCC2CCC2)C1 642685034 347599815 /nfs/dbraw/zinc/59/98/15/347599815.db2.gz MTWAVABPOKBCKG-LLVKDONJSA-N 0 3 199.294 0.870 20 0 ACADHN O[C@H]1CCN(CCOCC2CCC2)C1 642685035 347600013 /nfs/dbraw/zinc/60/00/13/347600013.db2.gz MTWAVABPOKBCKG-NSHDSACASA-N 0 3 199.294 0.870 20 0 ACADHN CC[C@@H](CN(C)C1CC(O)C1)OC 642701819 347601828 /nfs/dbraw/zinc/60/18/28/347601828.db2.gz VAXUECHXMKPYCJ-RTBKNWGFSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H](CN(C)C1CC(O)C1)OC 642701820 347601950 /nfs/dbraw/zinc/60/19/50/347601950.db2.gz VAXUECHXMKPYCJ-UDNWOFFPSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H](CN(C)C1(CO)CC1)OC 642708536 347602049 /nfs/dbraw/zinc/60/20/49/347602049.db2.gz XMQUEZGISGBVCL-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H](CN(C)C1(CO)CC1)OC 642708537 347602188 /nfs/dbraw/zinc/60/21/88/347602188.db2.gz XMQUEZGISGBVCL-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN OCCNCc1ccc(O)cc1 1692689 351295111 /nfs/dbraw/zinc/29/51/11/351295111.db2.gz BPAYTVKBUCIKNN-UHFFFAOYSA-N 0 3 167.208 0.474 20 0 ACADHN OCCCN1CCSCC1 14982802 351376031 /nfs/dbraw/zinc/37/60/31/351376031.db2.gz CRKREKTVCDSOSW-UHFFFAOYSA-N 0 3 161.270 0.418 20 0 ACADHN OC[C@H](O)CNCc1ccccc1 3190140 351316934 /nfs/dbraw/zinc/31/69/34/351316934.db2.gz CGBQPTYOFPMKAL-SNVBAGLBSA-N 0 3 181.235 0.129 20 0 ACADHN OC[C@@H](O)CNCc1ccccc1 3190139 351317202 /nfs/dbraw/zinc/31/72/02/351317202.db2.gz CGBQPTYOFPMKAL-JTQLQIEISA-N 0 3 181.235 0.129 20 0 ACADHN c1ncn(CCN2CCCC2)n1 3629809 351318263 /nfs/dbraw/zinc/31/82/63/351318263.db2.gz PGYXLTZSSAXNND-UHFFFAOYSA-N 0 3 166.228 0.374 20 0 ACADHN OCCCCNCc1cccnc1 8701719 351357433 /nfs/dbraw/zinc/35/74/33/351357433.db2.gz FVIIHXPMVQYYMK-UHFFFAOYSA-N 0 3 180.251 0.944 20 0 ACADHN OCCCCNCc1ccncc1 8701711 351357588 /nfs/dbraw/zinc/35/75/88/351357588.db2.gz HJTZVWKTUGSADT-UHFFFAOYSA-N 0 3 180.251 0.944 20 0 ACADHN CC(C)CC(=O)NCCN(C)C 11638595 351361123 /nfs/dbraw/zinc/36/11/23/351361123.db2.gz SAVWJXVYYHDBHZ-UHFFFAOYSA-N 0 3 172.272 0.710 20 0 ACADHN OC[C@H]1CCN(Cc2cccnc2)C1 11892599 351362010 /nfs/dbraw/zinc/36/20/10/351362010.db2.gz CYTDCXKDMRDVCD-NSHDSACASA-N 0 3 192.262 0.896 20 0 ACADHN OC[C@@H]1CCN(Cc2cccnc2)C1 11892594 351362261 /nfs/dbraw/zinc/36/22/61/351362261.db2.gz CYTDCXKDMRDVCD-LLVKDONJSA-N 0 3 192.262 0.896 20 0 ACADHN CC(C)CCNC(=O)[C@H](C)N 11957994 351363306 /nfs/dbraw/zinc/36/33/06/351363306.db2.gz ISUPQBWKSWDCTI-ZETCQYMHSA-N 0 3 158.245 0.496 20 0 ACADHN CC[C@@H](C)[C@H](N)C(=O)NC1CC1 11959186 351363443 /nfs/dbraw/zinc/36/34/43/351363443.db2.gz NQSNGBWJNAVLNR-SVRRBLITSA-N 0 3 170.256 0.638 20 0 ACADHN CC(C)CCNC(=O)CN 11957118 351363572 /nfs/dbraw/zinc/36/35/72/351363572.db2.gz QGTDCUBAEFZOPR-UHFFFAOYSA-N 0 3 144.218 0.107 20 0 ACADHN C[C@@H]1CCC[C@@H](C)N1CC(N)=O 14194245 351372027 /nfs/dbraw/zinc/37/20/27/351372027.db2.gz VEZDWVYSLBUJNR-HTQZYQBOSA-N 0 3 170.256 0.735 20 0 ACADHN CC(C)CNC(=O)CNC(C)C 19389684 351389567 /nfs/dbraw/zinc/38/95/67/351389567.db2.gz QWBOYKRQFVSWIY-UHFFFAOYSA-N 0 3 172.272 0.757 20 0 ACADHN CC(C)C[C@@H](N)C(=O)NCC1CC1 19440780 351390817 /nfs/dbraw/zinc/39/08/17/351390817.db2.gz MLWPDTVZEHYJDG-SECBINFHSA-N 0 3 184.283 0.886 20 0 ACADHN CC(C)C[C@H](N)C(=O)NCC1CC1 19440782 351390989 /nfs/dbraw/zinc/39/09/89/351390989.db2.gz MLWPDTVZEHYJDG-VIFPVBQESA-N 0 3 184.283 0.886 20 0 ACADHN C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)N)C1 19480397 351391061 /nfs/dbraw/zinc/39/10/61/351391061.db2.gz QRGWYJMYGBGYFA-IWSPIJDZSA-N 0 3 184.283 0.838 20 0 ACADHN C[C@@H]1C[C@@H](C)CN(C(=O)CN)C1 19473598 351391338 /nfs/dbraw/zinc/39/13/38/351391338.db2.gz HXDDYMWEWOFXKX-HTQZYQBOSA-N 0 3 170.256 0.450 20 0 ACADHN CC(C)CCNC(=O)[C@@H](C)N 19503282 351391785 /nfs/dbraw/zinc/39/17/85/351391785.db2.gz ISUPQBWKSWDCTI-SSDOTTSWSA-N 0 3 158.245 0.496 20 0 ACADHN CC[C@@H](C)[C@H](N)C(=O)NCC1CC1 19508285 351392124 /nfs/dbraw/zinc/39/21/24/351392124.db2.gz KSUOODFYBLHIOO-APPZFPTMSA-N 0 3 184.283 0.886 20 0 ACADHN C[C@@H]1CCC[C@H](NC(=O)CN)[C@@H]1C 19515993 351392348 /nfs/dbraw/zinc/39/23/48/351392348.db2.gz HKBUQYWKLAOILE-HLTSFMKQSA-N 0 3 184.283 0.886 20 0 ACADHN OCCCNCc1cccc(O)c1 20188307 351401266 /nfs/dbraw/zinc/40/12/66/351401266.db2.gz MHACBFIOUBUFSJ-UHFFFAOYSA-N 0 3 181.235 0.864 20 0 ACADHN OCCNCc1cccc(O)c1 20305908 351404586 /nfs/dbraw/zinc/40/45/86/351404586.db2.gz KUVHMYCSRBIGDS-UHFFFAOYSA-N 0 3 167.208 0.474 20 0 ACADHN C[C@@H]1C[C@H]1C(=O)N1CCCNCC1 21957262 351408310 /nfs/dbraw/zinc/40/83/10/351408310.db2.gz OGLFHBWZTKSPOH-RKDXNWHRSA-N 0 3 182.267 0.464 20 0 ACADHN C[C@@H]1C[C@@H]1C(=O)N1CCCNCC1 21957254 351408468 /nfs/dbraw/zinc/40/84/68/351408468.db2.gz OGLFHBWZTKSPOH-BDAKNGLRSA-N 0 3 182.267 0.464 20 0 ACADHN C[C@@H]1COC(C)(C)CN1 32005354 351424311 /nfs/dbraw/zinc/42/43/11/351424311.db2.gz PTLYPPYIFLTLSU-ZCFIWIBFSA-N 0 3 129.203 0.773 20 0 ACADHN O=c1[nH]c2c(s1)CNCC2 34293277 351438037 /nfs/dbraw/zinc/43/80/37/351438037.db2.gz NDFUQQZRTBRQQA-UHFFFAOYSA-N 0 3 156.210 0.082 20 0 ACADHN OCC(CO)NCc1ccccc1 34413023 351439950 /nfs/dbraw/zinc/43/99/50/351439950.db2.gz VTZUQTNKNVREQW-UHFFFAOYSA-N 0 3 181.235 0.129 20 0 ACADHN C[C@@H]1CNC[C@@H](C)C1=O 34419569 351439960 /nfs/dbraw/zinc/43/99/60/351439960.db2.gz AMGHHWQPWHGXHB-PHDIDXHHSA-N 0 3 127.187 0.431 20 0 ACADHN CC(C)CC[C@@H](C)NC(=O)CN 35206863 351449177 /nfs/dbraw/zinc/44/91/77/351449177.db2.gz VFJNTKSIFJMXAJ-MRVPVSSYSA-N 0 3 172.272 0.886 20 0 ACADHN CC(C)CC[C@H](C)NC(=O)CN 35206864 351449367 /nfs/dbraw/zinc/44/93/67/351449367.db2.gz VFJNTKSIFJMXAJ-QMMMGPOBSA-N 0 3 172.272 0.886 20 0 ACADHN OCCN1CCN(C2CCCC2)CC1 35577856 351450279 /nfs/dbraw/zinc/45/02/79/351450279.db2.gz LGNMIJATIWHYHY-UHFFFAOYSA-N 0 3 198.310 0.539 20 0 ACADHN OCCNCc1cccc2c1OCO2 36168345 351455634 /nfs/dbraw/zinc/45/56/34/351455634.db2.gz DLUNXAKPAFTVRC-UHFFFAOYSA-N 0 3 195.218 0.497 20 0 ACADHN c1cc(CNCC2CC2)n[nH]1 36899953 351459544 /nfs/dbraw/zinc/45/95/44/351459544.db2.gz DQYGJYNDTOOKPE-UHFFFAOYSA-N 0 3 151.213 0.909 20 0 ACADHN c1cc(CNC2CCOCC2)n[nH]1 36900384 351459799 /nfs/dbraw/zinc/45/97/99/351459799.db2.gz CWKSXNNDVNUMCQ-UHFFFAOYSA-N 0 3 181.239 0.678 20 0 ACADHN O=Cc1ccc(N2CCNCC2)o1 36895410 351460246 /nfs/dbraw/zinc/46/02/46/351460246.db2.gz ZNKMSGPIGUSWNY-UHFFFAOYSA-N 0 3 180.207 0.502 20 0 ACADHN OC1CCC(NCc2cc[nH]n2)CC1 36900050 351460302 /nfs/dbraw/zinc/46/03/02/351460302.db2.gz XGHKZEOVIPSOGM-UHFFFAOYSA-N 0 3 195.266 0.803 20 0 ACADHN CC(C)CN(C)C(=O)CN 37108613 351463330 /nfs/dbraw/zinc/46/33/30/351463330.db2.gz LGGUBSYRNHYNEX-UHFFFAOYSA-N 0 3 144.218 0.060 20 0 ACADHN C[C@@H]1CCC[C@@H](NC(=O)CN)C1 37256248 351465516 /nfs/dbraw/zinc/46/55/16/351465516.db2.gz HXTPXLMQCSGMPC-HTQZYQBOSA-N 0 3 170.256 0.640 20 0 ACADHN CC(C)CCNC(=O)CNC1CC1 37390178 351467789 /nfs/dbraw/zinc/46/77/89/351467789.db2.gz PGDPXTCSNLFYHO-UHFFFAOYSA-N 0 3 184.283 0.901 20 0 ACADHN CC(C)(O)CN1CCSCC1 37693675 351471763 /nfs/dbraw/zinc/47/17/63/351471763.db2.gz ZMNAEHWMKODHNT-UHFFFAOYSA-N 0 3 175.297 0.806 20 0 ACADHN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN 37806792 351473637 /nfs/dbraw/zinc/47/36/37/351473637.db2.gz ZIPVTIPYJUJNRH-BDAKNGLRSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@@H]1CCCC[C@H]1N(C)C(=O)CN 37806794 351474173 /nfs/dbraw/zinc/47/41/73/351474173.db2.gz ZIPVTIPYJUJNRH-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN c1nc(CNC2CCOCC2)n[nH]1 37919664 351476710 /nfs/dbraw/zinc/47/67/10/351476710.db2.gz GLLKMBJXWWNBRI-UHFFFAOYSA-N 0 3 182.227 0.073 20 0 ACADHN c1nnc(C[NH2+]C2CCOCC2)[n-]1 37919664 351476714 /nfs/dbraw/zinc/47/67/14/351476714.db2.gz GLLKMBJXWWNBRI-UHFFFAOYSA-N 0 3 182.227 0.073 20 0 ACADHN c1nnc(CNC2CCOCC2)[nH]1 37919664 351476717 /nfs/dbraw/zinc/47/67/17/351476717.db2.gz GLLKMBJXWWNBRI-UHFFFAOYSA-N 0 3 182.227 0.073 20 0 ACADHN c1nc(CNC2CCSCC2)n[nH]1 37919656 351477044 /nfs/dbraw/zinc/47/70/44/351477044.db2.gz PGNWJLBYURUFML-UHFFFAOYSA-N 0 3 198.295 0.790 20 0 ACADHN c1nnc(CNC2CCSCC2)[nH]1 37919656 351477049 /nfs/dbraw/zinc/47/70/49/351477049.db2.gz PGNWJLBYURUFML-UHFFFAOYSA-N 0 3 198.295 0.790 20 0 ACADHN c1nc(CNC2CCCC2)n[nH]1 37919121 351477408 /nfs/dbraw/zinc/47/74/08/351477408.db2.gz XYJZAQDTAWEVQT-UHFFFAOYSA-N 0 3 166.228 0.837 20 0 ACADHN c1nnc(CNC2CCCC2)[nH]1 37919121 351477411 /nfs/dbraw/zinc/47/74/11/351477411.db2.gz XYJZAQDTAWEVQT-UHFFFAOYSA-N 0 3 166.228 0.837 20 0 ACADHN c1cc(CNC[C@@H]2CCCOC2)n[nH]1 38044778 351477740 /nfs/dbraw/zinc/47/77/40/351477740.db2.gz JFCCQBVXWVRNIT-VIFPVBQESA-N 0 3 195.266 0.926 20 0 ACADHN c1cc(CNC[C@H]2CCCOC2)n[nH]1 38044779 351478220 /nfs/dbraw/zinc/47/82/20/351478220.db2.gz JFCCQBVXWVRNIT-SECBINFHSA-N 0 3 195.266 0.926 20 0 ACADHN O[C@@H]1CCN(Cc2ccco2)C1 38539052 351482138 /nfs/dbraw/zinc/48/21/38/351482138.db2.gz BUSFOHDWGHBWCB-MRVPVSSYSA-N 0 3 167.208 0.846 20 0 ACADHN O[C@H]1CCN(Cc2ccco2)C1 38539050 351482163 /nfs/dbraw/zinc/48/21/63/351482163.db2.gz BUSFOHDWGHBWCB-QMMMGPOBSA-N 0 3 167.208 0.846 20 0 ACADHN C[C@@H](O)c1cnccc1N 39049971 351484824 /nfs/dbraw/zinc/48/48/24/351484824.db2.gz GJGHCHUEXGVZKX-RXMQYKEDSA-N 0 3 138.170 0.717 20 0 ACADHN OCCN1CC2(CCC2)C1 39078809 351489604 /nfs/dbraw/zinc/48/96/04/351489604.db2.gz CAKSCSROVVFKLM-UHFFFAOYSA-N 0 3 141.214 0.465 20 0 ACADHN CC(C)CN1CCN(C)CC1 39113533 351492517 /nfs/dbraw/zinc/49/25/17/351492517.db2.gz KMOPAZSPIIQQOA-UHFFFAOYSA-N 0 3 156.273 0.890 20 0 ACADHN CC(C)CN1CCC[C@@H]1C(N)=O 39116019 351493609 /nfs/dbraw/zinc/49/36/09/351493609.db2.gz PRDZTZYRJWYFSN-MRVPVSSYSA-N 0 3 170.256 0.592 20 0 ACADHN CC(C)CN1CCNC(=O)C1(C)C 39120624 351493801 /nfs/dbraw/zinc/49/38/01/351493801.db2.gz BPBWTVWRFQKPMR-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN CC(C)CN1CCC[C@H]1C(N)=O 39116017 351493930 /nfs/dbraw/zinc/49/39/30/351493930.db2.gz PRDZTZYRJWYFSN-QMMMGPOBSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@@H]1N[C@H](C)CO[C@@H]1C 39220045 351497608 /nfs/dbraw/zinc/49/76/08/351497608.db2.gz XDAMZGXFTHZDFD-DSYKOEDSSA-N 0 3 129.203 0.772 20 0 ACADHN C[C@@H]1N[C@H](C)CO[C@H]1C 39220047 351497827 /nfs/dbraw/zinc/49/78/27/351497827.db2.gz XDAMZGXFTHZDFD-VQVTYTSYSA-N 0 3 129.203 0.772 20 0 ACADHN CC[C@@H](C)CN(C)CC(N)=O 43639154 351533212 /nfs/dbraw/zinc/53/32/12/351533212.db2.gz XOXDPPSVLQLVBK-SSDOTTSWSA-N 0 3 158.245 0.450 20 0 ACADHN CC(C)(N)C(=O)NCC(F)(F)F 40435149 351507052 /nfs/dbraw/zinc/50/70/52/351507052.db2.gz BGRGJBOGEGKINC-UHFFFAOYSA-N 0 3 184.161 0.402 20 0 ACADHN C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2)C1 40724541 351509934 /nfs/dbraw/zinc/50/99/34/351509934.db2.gz CHETVPJXRVFWCN-ZJUUUORDSA-N 0 3 196.294 0.997 20 0 ACADHN C[C@@H]1CCN(C(=O)[C@H]2CCCCN2)C1 40724545 351509986 /nfs/dbraw/zinc/50/99/86/351509986.db2.gz CHETVPJXRVFWCN-NXEZZACHSA-N 0 3 196.294 0.997 20 0 ACADHN C[C@@H]1CCN(C(=O)[C@@H](C)N)C1 40724591 351510763 /nfs/dbraw/zinc/51/07/63/351510763.db2.gz VWVFIAWMCJRCMU-RNFRBKRXSA-N 0 3 156.229 0.202 20 0 ACADHN OCCCCNCc1ccccn1 40744141 351511685 /nfs/dbraw/zinc/51/16/85/351511685.db2.gz SKRUZNKGPGTRTC-UHFFFAOYSA-N 0 3 180.251 0.944 20 0 ACADHN CC(C)(N)C(=O)N1CCSCC1 40920407 351512753 /nfs/dbraw/zinc/51/27/53/351512753.db2.gz CJWGRDYUQNAYCS-UHFFFAOYSA-N 0 3 188.296 0.299 20 0 ACADHN CC(C)(N)C(=O)Nc1nncs1 40920388 351512879 /nfs/dbraw/zinc/51/28/79/351512879.db2.gz JNOASYAWIQSQRV-UHFFFAOYSA-N 0 3 186.240 0.214 20 0 ACADHN CC(C)(N)C(=O)NCCc1ccco1 40920679 351512949 /nfs/dbraw/zinc/51/29/49/351512949.db2.gz DDOACAQXBWDGLC-UHFFFAOYSA-N 0 3 196.250 0.676 20 0 ACADHN CC(C)(N)C(=O)NCC1CC1 40912440 351513334 /nfs/dbraw/zinc/51/33/34/351513334.db2.gz JVPNZPGCXSHGJH-UHFFFAOYSA-N 0 3 156.229 0.250 20 0 ACADHN C[C@@H]1CCN(C(=O)C(C)(C)N)C1 40924956 351513544 /nfs/dbraw/zinc/51/35/44/351513544.db2.gz JPQSMEDDHINUKP-SSDOTTSWSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@@H]1CCCN1C(=O)C(C)(C)N 40924249 351513592 /nfs/dbraw/zinc/51/35/92/351513592.db2.gz PQIJBDHSCWTTFJ-SSDOTTSWSA-N 0 3 170.256 0.735 20 0 ACADHN OC1CCN(C[C@@H]2CCCO2)CC1 41203078 351516992 /nfs/dbraw/zinc/51/69/92/351516992.db2.gz COOHFERYZMKNRZ-JTQLQIEISA-N 0 3 185.267 0.622 20 0 ACADHN OC1CCN(C[C@H]2CCCO2)CC1 41203075 351517731 /nfs/dbraw/zinc/51/77/31/351517731.db2.gz COOHFERYZMKNRZ-SNVBAGLBSA-N 0 3 185.267 0.622 20 0 ACADHN C[C@@H]1CCC[C@@H](C)N1C(=O)CN 42237592 351519756 /nfs/dbraw/zinc/51/97/56/351519756.db2.gz TZTBZIQFGCASMX-HTQZYQBOSA-N 0 3 170.256 0.735 20 0 ACADHN OCCCN1CCO[C@H]2CCC[C@@H]21 42292901 351520799 /nfs/dbraw/zinc/52/07/99/351520799.db2.gz IRZNEHDNRMKMCO-UWVGGRQHSA-N 0 3 185.267 0.622 20 0 ACADHN CC(C)CN(C)CC(N)=O 42250061 351521048 /nfs/dbraw/zinc/52/10/48/351521048.db2.gz PGKXGPMTTXHTGQ-UHFFFAOYSA-N 0 3 144.218 0.060 20 0 ACADHN OCCCN1CCO[C@H]2CCC[C@H]21 42292897 351521280 /nfs/dbraw/zinc/52/12/80/351521280.db2.gz IRZNEHDNRMKMCO-ZJUUUORDSA-N 0 3 185.267 0.622 20 0 ACADHN OCCCN1CCO[C@@H]2CCC[C@@H]21 42292893 351521320 /nfs/dbraw/zinc/52/13/20/351521320.db2.gz IRZNEHDNRMKMCO-VHSXEESVSA-N 0 3 185.267 0.622 20 0 ACADHN OCCCN1CCO[C@@H]2CCC[C@H]21 42292889 351521464 /nfs/dbraw/zinc/52/14/64/351521464.db2.gz IRZNEHDNRMKMCO-NXEZZACHSA-N 0 3 185.267 0.622 20 0 ACADHN C[C@@H]1CCC[C@H](N(C)C(=O)CN)C1 42494767 351522121 /nfs/dbraw/zinc/52/21/21/351522121.db2.gz DXNBMXUYJSDHCC-BDAKNGLRSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@@H]1CCC[C@@H](N(C)C(=O)CN)C1 42494771 351522133 /nfs/dbraw/zinc/52/21/33/351522133.db2.gz DXNBMXUYJSDHCC-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@@H]1CCCC[C@@H]1CNC(=O)CN 42868021 351526094 /nfs/dbraw/zinc/52/60/94/351526094.db2.gz BEVUYNBWTZUYPW-RKDXNWHRSA-N 0 3 184.283 0.888 20 0 ACADHN CC[C@@H](C)N(C)CC(N)=O 43639146 351531723 /nfs/dbraw/zinc/53/17/23/351531723.db2.gz MQXOJAGQJJBMQO-ZCFIWIBFSA-N 0 3 144.218 0.202 20 0 ACADHN C[C@@H]1CN(CCCO)CC(C)(C)O1 44478780 351538811 /nfs/dbraw/zinc/53/88/11/351538811.db2.gz SRPVWVWOHCMIOP-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN O[C@@H]1CCCN(C[C@@H]2CCCO2)C1 48581027 351547600 /nfs/dbraw/zinc/54/76/00/351547600.db2.gz RDMCZGBCIGOIJF-ZJUUUORDSA-N 0 3 185.267 0.622 20 0 ACADHN CC[C@H]1CCCN(CC(N)=O)C1 47878843 351545425 /nfs/dbraw/zinc/54/54/25/351545425.db2.gz YOUYOCKYNCEJSD-QMMMGPOBSA-N 0 3 170.256 0.594 20 0 ACADHN C[C@@H]1CCC[C@@H](N(C)CC(N)=O)C1 47848452 351545443 /nfs/dbraw/zinc/54/54/43/351545443.db2.gz PNOOVXHIXHYTPK-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@@H]1CCC[C@H](N(C)CC(N)=O)C1 47848449 351546227 /nfs/dbraw/zinc/54/62/27/351546227.db2.gz PNOOVXHIXHYTPK-BDAKNGLRSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@@H]1CCCN(CC(N)=O)C1 47878840 351546262 /nfs/dbraw/zinc/54/62/62/351546262.db2.gz YOUYOCKYNCEJSD-MRVPVSSYSA-N 0 3 170.256 0.594 20 0 ACADHN O[C@H]1CCCN(C[C@@H]2CCCO2)C1 48581025 351546685 /nfs/dbraw/zinc/54/66/85/351546685.db2.gz RDMCZGBCIGOIJF-UWVGGRQHSA-N 0 3 185.267 0.622 20 0 ACADHN OC[C@H]1CCN(Cc2ccncc2)C1 49474371 351546770 /nfs/dbraw/zinc/54/67/70/351546770.db2.gz NCALOTPUBRJHOO-NSHDSACASA-N 0 3 192.262 0.896 20 0 ACADHN OC[C@@H]1CCN(Cc2ccccn2)C1 49474362 351546793 /nfs/dbraw/zinc/54/67/93/351546793.db2.gz XYPCMRMGKYGLON-SNVBAGLBSA-N 0 3 192.262 0.896 20 0 ACADHN OC[C@@H]1CCN(Cc2ccncc2)C1 49474372 351547557 /nfs/dbraw/zinc/54/75/57/351547557.db2.gz NCALOTPUBRJHOO-LLVKDONJSA-N 0 3 192.262 0.896 20 0 ACADHN CN(C)C(C)(C)CNCc1ncc[nH]1 49714657 351549861 /nfs/dbraw/zinc/54/98/61/351549861.db2.gz VSWFITIMACWHMQ-UHFFFAOYSA-N 0 3 196.298 0.840 20 0 ACADHN O[C@@H]1CCCN(CCn2ccnc2)C1 49773565 351549871 /nfs/dbraw/zinc/54/98/71/351549871.db2.gz MSROMWPTCLNDCD-SNVBAGLBSA-N 0 3 195.266 0.340 20 0 ACADHN C[C@H](CNCc1ncc[nH]1)N(C)C 49715626 351549943 /nfs/dbraw/zinc/54/99/43/351549943.db2.gz SOUCIIMZBFQSDC-MRVPVSSYSA-N 0 3 182.271 0.449 20 0 ACADHN O[C@H]1CCCN(CCn2ccnc2)C1 49773564 351550703 /nfs/dbraw/zinc/55/07/03/351550703.db2.gz MSROMWPTCLNDCD-JTQLQIEISA-N 0 3 195.266 0.340 20 0 ACADHN CC(C)CN1CCN(C(N)=O)CC1 49942792 351550892 /nfs/dbraw/zinc/55/08/92/351550892.db2.gz OIQPUIAQLRKAMI-UHFFFAOYSA-N 0 3 185.271 0.339 20 0 ACADHN CC(C)CNC(=O)[C@@H]1C[C@@H]1N 50456199 351554369 /nfs/dbraw/zinc/55/43/69/351554369.db2.gz VAHJRYLVAPUBBP-RQJHMYQMSA-N 0 3 156.229 0.106 20 0 ACADHN C[C@@H]1CCCN(C(=O)CN)[C@@H]1C 50565399 351554599 /nfs/dbraw/zinc/55/45/99/351554599.db2.gz UASGXNCOHZLWCR-HTQZYQBOSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@@H]1CCCN(CC(N)=O)[C@@H]1C 50566835 351555736 /nfs/dbraw/zinc/55/57/36/351555736.db2.gz HTQYKZHJWIOEHV-HTQZYQBOSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@@H]1CCN(C(=O)CN)[C@H](C)C1 51732739 351558962 /nfs/dbraw/zinc/55/89/62/351558962.db2.gz WSHARSUQZZMOGH-HTQZYQBOSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@@H](C(N)=O)N1CCCC1 51692109 351559136 /nfs/dbraw/zinc/55/91/36/351559136.db2.gz DQOSEHWNUDEBQL-ZETCQYMHSA-N 0 3 156.229 0.346 20 0 ACADHN C[C@@H]1CCN(C(=O)[C@@H](C)N)[C@H](C)C1 51732733 351559143 /nfs/dbraw/zinc/55/91/43/351559143.db2.gz MZZOIOZDVQZJFT-IWSPIJDZSA-N 0 3 184.283 0.981 20 0 ACADHN OC[C@H]1CCN(c2ccncc2)C1 51886485 351560561 /nfs/dbraw/zinc/56/05/61/351560561.db2.gz ZZFSRQSOJHHRNC-VIFPVBQESA-N 0 3 178.235 0.900 20 0 ACADHN OC[C@@H]1CCN(c2ccncc2)C1 51886486 351560608 /nfs/dbraw/zinc/56/06/08/351560608.db2.gz ZZFSRQSOJHHRNC-SECBINFHSA-N 0 3 178.235 0.900 20 0 ACADHN OC1CCC(NCc2c[nH]cn2)CC1 54763248 351574705 /nfs/dbraw/zinc/57/47/05/351574705.db2.gz RKSAKUCMANLZIJ-UHFFFAOYSA-N 0 3 195.266 0.803 20 0 ACADHN OC1CCC(NCc2cnc[nH]2)CC1 54763248 351574708 /nfs/dbraw/zinc/57/47/08/351574708.db2.gz RKSAKUCMANLZIJ-UHFFFAOYSA-N 0 3 195.266 0.803 20 0 ACADHN O[C@@H]1CCCC[C@H]1NCc1c[nH]cn1 54765334 351574896 /nfs/dbraw/zinc/57/48/96/351574896.db2.gz KQQKBXUASBUAPO-NXEZZACHSA-N 0 3 195.266 0.803 20 0 ACADHN O[C@@H]1CCCC[C@H]1NCc1cnc[nH]1 54765334 351574899 /nfs/dbraw/zinc/57/48/99/351574899.db2.gz KQQKBXUASBUAPO-NXEZZACHSA-N 0 3 195.266 0.803 20 0 ACADHN O[C@H]1CCCC[C@@H]1NCc1c[nH]cn1 54765333 351575334 /nfs/dbraw/zinc/57/53/34/351575334.db2.gz KQQKBXUASBUAPO-UWVGGRQHSA-N 0 3 195.266 0.803 20 0 ACADHN O[C@H]1CCCC[C@@H]1NCc1cnc[nH]1 54765333 351575338 /nfs/dbraw/zinc/57/53/38/351575338.db2.gz KQQKBXUASBUAPO-UWVGGRQHSA-N 0 3 195.266 0.803 20 0 ACADHN CC(C)CNCc1cn(C)nn1 54858375 351576130 /nfs/dbraw/zinc/57/61/30/351576130.db2.gz GLQCVUGQNDZAJG-UHFFFAOYSA-N 0 3 168.244 0.561 20 0 ACADHN CC[C@@H](C)NCc1cn(C)nn1 54858371 351576667 /nfs/dbraw/zinc/57/66/67/351576667.db2.gz ZWUMGSGDPQAQQW-SSDOTTSWSA-N 0 3 168.244 0.703 20 0 ACADHN CCOc1cc[nH]c(=NN)n1 58825362 351581198 /nfs/dbraw/zinc/58/11/98/351581198.db2.gz BPBGJLMWSPBALE-UHFFFAOYSA-N 0 3 154.173 0.161 20 0 ACADHN O[C@H]1CCN(C[C@H]2CCCO2)C1 61708051 351583497 /nfs/dbraw/zinc/58/34/97/351583497.db2.gz TVXLKBOQOAVCJV-DTWKUNHWSA-N 0 3 171.240 0.232 20 0 ACADHN O[C@H]1CCN(C[C@H]2CCCCO2)C1 61707906 351583516 /nfs/dbraw/zinc/58/35/16/351583516.db2.gz LKFSCCPUTDKYTB-VHSXEESVSA-N 0 3 185.267 0.622 20 0 ACADHN O[C@H]1CCN(C[C@@H]2CCCO2)C1 61708052 351583658 /nfs/dbraw/zinc/58/36/58/351583658.db2.gz TVXLKBOQOAVCJV-IUCAKERBSA-N 0 3 171.240 0.232 20 0 ACADHN O[C@H]1CCN(C[C@@H]2CCCCO2)C1 61707905 351584065 /nfs/dbraw/zinc/58/40/65/351584065.db2.gz LKFSCCPUTDKYTB-UWVGGRQHSA-N 0 3 185.267 0.622 20 0 ACADHN CCOc1ccnc(C(=N)N)c1 61814507 351584726 /nfs/dbraw/zinc/58/47/26/351584726.db2.gz ARMADTICLJXASI-UHFFFAOYSA-N 0 3 165.196 0.764 20 0 ACADHN CC(C)C(=O)N1CCNCC1(C)C 62567037 351587034 /nfs/dbraw/zinc/58/70/34/351587034.db2.gz AGZNOYJQXQYQKC-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN CC(C)C(=O)N1C[C@@H](C)NC[C@H]1C 62566985 351587213 /nfs/dbraw/zinc/58/72/13/351587213.db2.gz VXIHCJYEMROXEJ-RKDXNWHRSA-N 0 3 184.283 0.851 20 0 ACADHN CC(C)C(=O)N1C[C@H](C)NC[C@H]1C 62566987 351587395 /nfs/dbraw/zinc/58/73/95/351587395.db2.gz VXIHCJYEMROXEJ-DTWKUNHWSA-N 0 3 184.283 0.851 20 0 ACADHN CC(C)C(=O)N1C[C@H](C)NC[C@@H]1C 62566989 351587646 /nfs/dbraw/zinc/58/76/46/351587646.db2.gz VXIHCJYEMROXEJ-IUCAKERBSA-N 0 3 184.283 0.851 20 0 ACADHN C[C@@H]1CN(C(=O)C2CC2)[C@H](C)CN1 62566867 351587790 /nfs/dbraw/zinc/58/77/90/351587790.db2.gz NKUFRBHSDQDUSZ-HTQZYQBOSA-N 0 3 182.267 0.605 20 0 ACADHN C[C@@H]1CN(C(=O)N(C)C)[C@H](C)CN1 62567208 351587839 /nfs/dbraw/zinc/58/78/39/351587839.db2.gz LIKVHLASDHICTB-HTQZYQBOSA-N 0 3 185.271 0.350 20 0 ACADHN CC(C)C(=O)N1C[C@@H](C)NC[C@@H]1C 62566986 351587986 /nfs/dbraw/zinc/58/79/86/351587986.db2.gz VXIHCJYEMROXEJ-BDAKNGLRSA-N 0 3 184.283 0.851 20 0 ACADHN CCN1CCN(CCO)C[C@@H]1C 69625356 351597174 /nfs/dbraw/zinc/59/71/74/351597174.db2.gz MWVORUALNSCBOW-VIFPVBQESA-N 0 3 172.272 0.005 20 0 ACADHN O[C@H]1CCCN([C@@H]2CCOC2)C1 69624669 351597320 /nfs/dbraw/zinc/59/73/20/351597320.db2.gz QXLWTMCLCLCLSW-BDAKNGLRSA-N 0 3 171.240 0.232 20 0 ACADHN O[C@@H]1CCCN([C@@H]2CCOC2)C1 69624672 351597499 /nfs/dbraw/zinc/59/74/99/351597499.db2.gz QXLWTMCLCLCLSW-RKDXNWHRSA-N 0 3 171.240 0.232 20 0 ACADHN Cc1n[nH]cc1CN[C@H]1CCCOC1 69606451 351597676 /nfs/dbraw/zinc/59/76/76/351597676.db2.gz YZXMGMOWWWPVPL-JTQLQIEISA-N 0 3 195.266 0.987 20 0 ACADHN Cc1n[nH]cc1CN[C@@H]1CCCOC1 69606449 351597689 /nfs/dbraw/zinc/59/76/89/351597689.db2.gz YZXMGMOWWWPVPL-SNVBAGLBSA-N 0 3 195.266 0.987 20 0 ACADHN NC1(c2ccncn2)CC1 69639953 351598474 /nfs/dbraw/zinc/59/84/74/351598474.db2.gz ZCJPVWKDEHUKAT-UHFFFAOYSA-N 0 3 135.170 0.424 20 0 ACADHN c1nc(NC2CC2)nc2c1CNCC2 70597422 351603636 /nfs/dbraw/zinc/60/36/36/351603636.db2.gz IRZLNHYSJHUZJH-UHFFFAOYSA-N 0 3 190.250 0.697 20 0 ACADHN c1cc(CN[C@H]2CCOC2)ccn1 70964760 351607982 /nfs/dbraw/zinc/60/79/82/351607982.db2.gz CEGXZTVUEXKCIH-JTQLQIEISA-N 0 3 178.235 0.960 20 0 ACADHN c1cc(CN[C@@H]2CCOC2)ccn1 70964754 351608064 /nfs/dbraw/zinc/60/80/64/351608064.db2.gz CEGXZTVUEXKCIH-SNVBAGLBSA-N 0 3 178.235 0.960 20 0 ACADHN CCOc1cccc(C(=N)N)n1 71186684 351609625 /nfs/dbraw/zinc/60/96/25/351609625.db2.gz JWNUMCUXUAHNRH-UHFFFAOYSA-N 0 3 165.196 0.764 20 0 ACADHN CC(C)C(=O)N1CCN[C@@H](C)[C@@H]1C 71499572 351611722 /nfs/dbraw/zinc/61/17/22/351611722.db2.gz LZTCUFSXGCUOTA-IUCAKERBSA-N 0 3 184.283 0.851 20 0 ACADHN CC(C)C(=O)N1CCN[C@H](C)[C@H]1C 71499574 351611858 /nfs/dbraw/zinc/61/18/58/351611858.db2.gz LZTCUFSXGCUOTA-RKDXNWHRSA-N 0 3 184.283 0.851 20 0 ACADHN CC(C)C(=O)N1CCN[C@H](C)[C@@H]1C 71499570 351611885 /nfs/dbraw/zinc/61/18/85/351611885.db2.gz LZTCUFSXGCUOTA-BDAKNGLRSA-N 0 3 184.283 0.851 20 0 ACADHN C[C@@H]1NCCN(C(=O)C2CC2)[C@H]1C 71499166 351611948 /nfs/dbraw/zinc/61/19/48/351611948.db2.gz KGJIIKKWXKLPHM-YUMQZZPRSA-N 0 3 182.267 0.605 20 0 ACADHN C[C@@H]1NCCN(C(=O)C2CC2)[C@@H]1C 71499172 351612060 /nfs/dbraw/zinc/61/20/60/351612060.db2.gz KGJIIKKWXKLPHM-JGVFFNPUSA-N 0 3 182.267 0.605 20 0 ACADHN O[C@@H]1CCCN(Cc2cnc[nH]2)C1 74301787 351620228 /nfs/dbraw/zinc/62/02/28/351620228.db2.gz ABRLLRUYDYEUFR-SECBINFHSA-N 0 3 181.239 0.366 20 0 ACADHN O[C@H]1CCCN(Cc2cnc[nH]2)C1 74301785 351620787 /nfs/dbraw/zinc/62/07/87/351620787.db2.gz ABRLLRUYDYEUFR-VIFPVBQESA-N 0 3 181.239 0.366 20 0 ACADHN Cn1cccc1CN1CCC[C@H]1CO 74246074 351621305 /nfs/dbraw/zinc/62/13/05/351621305.db2.gz QDLPHLQJZCVDGW-NSHDSACASA-N 0 3 194.278 0.982 20 0 ACADHN Cn1cccc1CN1CCC[C@@H]1CO 74246073 351621384 /nfs/dbraw/zinc/62/13/84/351621384.db2.gz QDLPHLQJZCVDGW-LLVKDONJSA-N 0 3 194.278 0.982 20 0 ACADHN CC(C)C[C@H]1CCN(C(=O)CN)C1 77271187 351625902 /nfs/dbraw/zinc/62/59/02/351625902.db2.gz JZPOIRYQLFGMBH-SECBINFHSA-N 0 3 184.283 0.840 20 0 ACADHN CC(C)C[C@@H]1CCN(C(=O)CN)C1 77271183 351626250 /nfs/dbraw/zinc/62/62/50/351626250.db2.gz JZPOIRYQLFGMBH-VIFPVBQESA-N 0 3 184.283 0.840 20 0 ACADHN CCC(=O)N(C)[C@@H]1CCCN(C)C1 81559480 351632389 /nfs/dbraw/zinc/63/23/89/351632389.db2.gz RXTVOZBOVXGZGS-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CC(=O)N(C)[C@H]1CCCN(C)C1 81559025 351632491 /nfs/dbraw/zinc/63/24/91/351632491.db2.gz QYRIAQDXVFRGHU-VIFPVBQESA-N 0 3 170.256 0.559 20 0 ACADHN CC[C@H](C)N1CCN(C(C)=O)CC1 81559034 351632525 /nfs/dbraw/zinc/63/25/25/351632525.db2.gz WWCHEQIQFXRDTK-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN CCC(=O)N(C)[C@H]1CCCN(C)C1 81559483 351632655 /nfs/dbraw/zinc/63/26/55/351632655.db2.gz RXTVOZBOVXGZGS-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN CC(=O)N(C)[C@@H]1CCCN(C)C1 81559024 351632672 /nfs/dbraw/zinc/63/26/72/351632672.db2.gz QYRIAQDXVFRGHU-SECBINFHSA-N 0 3 170.256 0.559 20 0 ACADHN CC[C@@H](C)N1CCN(C(C)=O)CC1 81559032 351632710 /nfs/dbraw/zinc/63/27/10/351632710.db2.gz WWCHEQIQFXRDTK-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CC[C@H](N)C(=O)Nc1ccccn1 82247604 351634908 /nfs/dbraw/zinc/63/49/08/351634908.db2.gz XPUUESGOHWZIKO-ZETCQYMHSA-N 0 3 179.223 0.757 20 0 ACADHN CC[C@H](N)C(=O)Nc1cc(C)nn1C 82247626 351635018 /nfs/dbraw/zinc/63/50/18/351635018.db2.gz UNEUFELXIWEYGG-ZETCQYMHSA-N 0 3 196.254 0.404 20 0 ACADHN CC[C@H](N)C(=O)Nc1ccnn1C 82238588 351635020 /nfs/dbraw/zinc/63/50/20/351635020.db2.gz SNHMSOFHJBPFEJ-LURJTMIESA-N 0 3 182.227 0.096 20 0 ACADHN O=c1cc([C@H]2CCC[NH2+]C2)nc[n-]1 82529552 351639191 /nfs/dbraw/zinc/63/91/91/351639191.db2.gz OQHOORYDQWVJEB-ZETCQYMHSA-N 0 3 179.223 0.237 20 0 ACADHN O=c1cc([C@@H]2CCC[NH2+]C2)nc[n-]1 82529551 351639247 /nfs/dbraw/zinc/63/92/47/351639247.db2.gz OQHOORYDQWVJEB-SSDOTTSWSA-N 0 3 179.223 0.237 20 0 ACADHN C[C@H](C[NH3+])NC(=O)c1ccccc1[O-] 82577083 351639397 /nfs/dbraw/zinc/63/93/97/351639397.db2.gz RHQJMHCEKCHIIX-SSDOTTSWSA-N 0 3 194.234 0.469 20 0 ACADHN O=c1cc(C2CC[NH2+]CC2)nc[n-]1 82529553 351639496 /nfs/dbraw/zinc/63/94/96/351639496.db2.gz DLNICYNOQLLYFE-UHFFFAOYSA-N 0 3 179.223 0.237 20 0 ACADHN C[C@@H]1CCc2n[nH]c(CN)c2C1 82632778 351640751 /nfs/dbraw/zinc/64/07/51/351640751.db2.gz DGFDIHILJHTTMT-ZCFIWIBFSA-N 0 3 165.240 0.993 20 0 ACADHN OCCN1CC[C@@H](c2cccnc2)C1 82891492 351642267 /nfs/dbraw/zinc/64/22/67/351642267.db2.gz ZMZCSAXNVDEINK-LLVKDONJSA-N 0 3 192.262 0.863 20 0 ACADHN OCCN1CC[C@@H](C(F)(F)F)C1 82875478 351642414 /nfs/dbraw/zinc/64/24/14/351642414.db2.gz NYIODFTUCSVNKA-ZCFIWIBFSA-N 0 3 183.173 0.863 20 0 ACADHN OCCN1CC[C@H](C(F)(F)F)C1 82875479 351642679 /nfs/dbraw/zinc/64/26/79/351642679.db2.gz NYIODFTUCSVNKA-LURJTMIESA-N 0 3 183.173 0.863 20 0 ACADHN OCCN1CC[C@H](c2cccnc2)C1 82891493 351643335 /nfs/dbraw/zinc/64/33/35/351643335.db2.gz ZMZCSAXNVDEINK-NSHDSACASA-N 0 3 192.262 0.863 20 0 ACADHN CC(C)CNC(=O)[C@H](N)CC1CC1 83340940 351645532 /nfs/dbraw/zinc/64/55/32/351645532.db2.gz PYHVLINKJOLNTC-SECBINFHSA-N 0 3 184.283 0.886 20 0 ACADHN CC(C)(O)CNCc1ccc(CO)o1 83461164 351645697 /nfs/dbraw/zinc/64/56/97/351645697.db2.gz ZDGCVQGGOQJREA-UHFFFAOYSA-N 0 3 199.250 0.632 20 0 ACADHN OCC(CO)NCc1cccs1 83690546 351646450 /nfs/dbraw/zinc/64/64/50/351646450.db2.gz DIWNQIMRQMQHMO-UHFFFAOYSA-N 0 3 187.264 0.191 20 0 ACADHN OCC(CO)NCc1ccsc1 83692956 351646460 /nfs/dbraw/zinc/64/64/60/351646460.db2.gz CBMJSONSXIYJCO-UHFFFAOYSA-N 0 3 187.264 0.191 20 0 ACADHN OCC(CO)NCc1ccc(F)cc1 83689716 351646796 /nfs/dbraw/zinc/64/67/96/351646796.db2.gz BIRRTYMCFMIEKP-UHFFFAOYSA-N 0 3 199.225 0.269 20 0 ACADHN OCC(CO)NCc1cccc(F)c1 83691894 351647016 /nfs/dbraw/zinc/64/70/16/351647016.db2.gz YVLQPYKUQSZKPM-UHFFFAOYSA-N 0 3 199.225 0.269 20 0 ACADHN OCC1CN(c2ccncc2)C1 84988509 351652030 /nfs/dbraw/zinc/65/20/30/351652030.db2.gz VXBCETHFYNMVSW-UHFFFAOYSA-N 0 3 164.208 0.510 20 0 ACADHN O=C(OC1CNC1)N1CCCCCC1 86230758 351654749 /nfs/dbraw/zinc/65/47/49/351654749.db2.gz XTRUZTBLWSKFSW-UHFFFAOYSA-N 0 3 198.266 0.971 20 0 ACADHN O=C(OC1CNC1)N1CCCC1 86230742 351654939 /nfs/dbraw/zinc/65/49/39/351654939.db2.gz DXFDUFZYOPYHNX-UHFFFAOYSA-N 0 3 170.212 0.191 20 0 ACADHN CNCC(=O)N[C@@H]1CCCC1(C)C 86877042 351656849 /nfs/dbraw/zinc/65/68/49/351656849.db2.gz YIVUDHCEKRVFHV-MRVPVSSYSA-N 0 3 184.283 0.901 20 0 ACADHN CC1(C)CCC[C@@H]1NC(=O)CN 86877180 351656934 /nfs/dbraw/zinc/65/69/34/351656934.db2.gz FIGUPSLPAJZMNZ-ZETCQYMHSA-N 0 3 170.256 0.640 20 0 ACADHN CC1(C)CCC[C@H]1NC(=O)CN 86877183 351657079 /nfs/dbraw/zinc/65/70/79/351657079.db2.gz FIGUPSLPAJZMNZ-SSDOTTSWSA-N 0 3 170.256 0.640 20 0 ACADHN OC[C@H]1NCCc2sccc21 90394296 351665118 /nfs/dbraw/zinc/66/51/18/351665118.db2.gz VJQBIPPJWWDFOF-SSDOTTSWSA-N 0 3 169.249 0.927 20 0 ACADHN OC[C@@H]1NCCc2sccc21 90394294 351665406 /nfs/dbraw/zinc/66/54/06/351665406.db2.gz VJQBIPPJWWDFOF-ZETCQYMHSA-N 0 3 169.249 0.927 20 0 ACADHN OC[C@H]1C[C@@H]2Cc3nc[nH]c3CN2C1 95828932 351673544 /nfs/dbraw/zinc/67/35/44/351673544.db2.gz ZAKSQWAXKDRTHI-JGVFFNPUSA-N 0 3 193.250 0.149 20 0 ACADHN OC[C@@H]1C[C@H]2Cc3nc[nH]c3CN2C1 95828933 351673774 /nfs/dbraw/zinc/67/37/74/351673774.db2.gz ZAKSQWAXKDRTHI-SFYZADRCSA-N 0 3 193.250 0.149 20 0 ACADHN OC[C@H]1C[C@H]2Cc3nc[nH]c3CN2C1 95828930 351673789 /nfs/dbraw/zinc/67/37/89/351673789.db2.gz ZAKSQWAXKDRTHI-YUMQZZPRSA-N 0 3 193.250 0.149 20 0 ACADHN O[C@@H]1COC[C@H]1N1CCCCC1 96331876 351680541 /nfs/dbraw/zinc/68/05/41/351680541.db2.gz BFXAOKBKIXUCQK-RKDXNWHRSA-N 0 3 171.240 0.232 20 0 ACADHN COC(=O)c1cccc2c1OC[C@@H]2N 104675529 351714901 /nfs/dbraw/zinc/71/49/01/351714901.db2.gz RKNYRLQHRNHEPV-QMMMGPOBSA-N 0 3 193.202 0.865 20 0 ACADHN CN[C@@H](C)C(=O)NC[C@H](C)SC 122326760 351727372 /nfs/dbraw/zinc/72/73/72/351727372.db2.gz APDMRXBFEFFISM-BQBZGAKWSA-N 0 3 190.312 0.462 20 0 ACADHN C[C@@H]1CN(CCCO)CCS1 122519182 351727838 /nfs/dbraw/zinc/72/78/38/351727838.db2.gz RUCFBWODXWEZTJ-MRVPVSSYSA-N 0 3 175.297 0.806 20 0 ACADHN CN[C@@H](C)C(=O)NC[C@@H](C)SC 122326983 351728092 /nfs/dbraw/zinc/72/80/92/351728092.db2.gz APDMRXBFEFFISM-RQJHMYQMSA-N 0 3 190.312 0.462 20 0 ACADHN CC(C)(O)CN1CC2(CCOCC2)C1 123494536 351728484 /nfs/dbraw/zinc/72/84/84/351728484.db2.gz PFOQEWNFQFVAQH-UHFFFAOYSA-N 0 3 199.294 0.870 20 0 ACADHN OC[C@H]1CCCN(Cc2cnc[nH]2)C1 124982935 351730285 /nfs/dbraw/zinc/73/02/85/351730285.db2.gz QIXDCPIAEIMSEG-VIFPVBQESA-N 0 3 195.266 0.614 20 0 ACADHN OC[C@@H]1CCCN(Cc2cnc[nH]2)C1 124983176 351730322 /nfs/dbraw/zinc/73/03/22/351730322.db2.gz QIXDCPIAEIMSEG-SECBINFHSA-N 0 3 195.266 0.614 20 0 ACADHN C[C@@H]1C[C@@H](C)N(CC(N)=O)C1 125690492 351730764 /nfs/dbraw/zinc/73/07/64/351730764.db2.gz VVRYTYZWBFOYPS-RNFRBKRXSA-N 0 3 156.229 0.202 20 0 ACADHN O[C@H]1CCCN(CC2=CCCOC2)C1 127995655 351732686 /nfs/dbraw/zinc/73/26/86/351732686.db2.gz FOYAQSQFTGFQPW-NSHDSACASA-N 0 3 197.278 0.790 20 0 ACADHN O[C@@H]1CCCN(CC2=CCCOC2)C1 127995897 351732702 /nfs/dbraw/zinc/73/27/02/351732702.db2.gz FOYAQSQFTGFQPW-LLVKDONJSA-N 0 3 197.278 0.790 20 0 ACADHN OC[C@H]1CCCN1Cc1cnc[nH]1 128069589 351733081 /nfs/dbraw/zinc/73/30/81/351733081.db2.gz PJEXLAPKQZQJFO-SECBINFHSA-N 0 3 181.239 0.366 20 0 ACADHN C[C@@H]1CN(CCO)CCS1 129160786 351733796 /nfs/dbraw/zinc/73/37/96/351733796.db2.gz SLNUTTMZDUOLFT-SSDOTTSWSA-N 0 3 161.270 0.416 20 0 ACADHN OCC1CCN(Cc2cnc[nH]2)CC1 128107107 351734185 /nfs/dbraw/zinc/73/41/85/351734185.db2.gz XUGKGLHUJMMTAN-UHFFFAOYSA-N 0 3 195.266 0.614 20 0 ACADHN C[C@@H]1CCN(C(=O)CN)C[C@@H]1C 135198293 351738665 /nfs/dbraw/zinc/73/86/65/351738665.db2.gz STVDBEBUMLLOMQ-SFYZADRCSA-N 0 3 170.256 0.450 20 0 ACADHN C[C@@H]1CN(C(=O)CN)CC[C@H]1C 135198333 351738748 /nfs/dbraw/zinc/73/87/48/351738748.db2.gz STVDBEBUMLLOMQ-HTQZYQBOSA-N 0 3 170.256 0.450 20 0 ACADHN C[C@@H]1CCN(CC(N)=O)C[C@@H]1C 135085556 351738811 /nfs/dbraw/zinc/73/88/11/351738811.db2.gz GNGFSHGXYBRZME-SFYZADRCSA-N 0 3 170.256 0.450 20 0 ACADHN NC(=O)[C@H]1CCCCN1CC1CC1 140580020 351744345 /nfs/dbraw/zinc/74/43/45/351744345.db2.gz XOQVEMCXDUKQOS-SECBINFHSA-N 0 3 182.267 0.736 20 0 ACADHN NC(=O)[C@@H]1CCCCN1CC1CC1 140579842 351744416 /nfs/dbraw/zinc/74/44/16/351744416.db2.gz XOQVEMCXDUKQOS-VIFPVBQESA-N 0 3 182.267 0.736 20 0 ACADHN CC(C)CNc1nc(N)nc(N)n1 141315649 351745020 /nfs/dbraw/zinc/74/50/20/351745020.db2.gz AIRWVMQOFGWYFG-UHFFFAOYSA-N 0 3 182.231 0.104 20 0 ACADHN C[C@@H](O)C1CCN(CCO)CC1 142156898 351745683 /nfs/dbraw/zinc/74/56/83/351745683.db2.gz KKSVOGOZOBJDCS-MRVPVSSYSA-N 0 3 173.256 0.072 20 0 ACADHN C[C@H](O)C1CCN(CCO)CC1 142157094 351746021 /nfs/dbraw/zinc/74/60/21/351746021.db2.gz KKSVOGOZOBJDCS-QMMMGPOBSA-N 0 3 173.256 0.072 20 0 ACADHN Cc1ccc(NC(=O)CC[NH3+])c([O-])c1 142748424 351746573 /nfs/dbraw/zinc/74/65/73/351746573.db2.gz ZTTTYKCIXRNNFN-UHFFFAOYSA-N 0 3 194.234 0.988 20 0 ACADHN CC(C)C1CCN(C(=O)CN)CC1 144256537 351747457 /nfs/dbraw/zinc/74/74/57/351747457.db2.gz XDNRMPAWJRWCSG-UHFFFAOYSA-N 0 3 184.283 0.840 20 0 ACADHN CC[C@H]1CCN([C@@H](C)C(N)=O)C1 158007750 351751881 /nfs/dbraw/zinc/75/18/81/351751881.db2.gz GKTASJHPHGMRGX-YUMQZZPRSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@@H]1CCN([C@@H](C)C(N)=O)C1 158007620 351751939 /nfs/dbraw/zinc/75/19/39/351751939.db2.gz GKTASJHPHGMRGX-JGVFFNPUSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@H]1CCN(CC(N)=O)C1 158007454 351752072 /nfs/dbraw/zinc/75/20/72/351752072.db2.gz WVHVKVUVIIGYCR-ZETCQYMHSA-N 0 3 156.229 0.204 20 0 ACADHN CC[C@@H]1CCN(CC(N)=O)C1 158007327 351752076 /nfs/dbraw/zinc/75/20/76/351752076.db2.gz WVHVKVUVIIGYCR-SSDOTTSWSA-N 0 3 156.229 0.204 20 0 ACADHN CN(CC(F)F)C(=O)C1(N)CC1 158019521 351752082 /nfs/dbraw/zinc/75/20/82/351752082.db2.gz SIRQMGHRBMUUEZ-UHFFFAOYSA-N 0 3 178.182 0.201 20 0 ACADHN CO[C@]1(CNCCF)CCOC1 159085118 351754576 /nfs/dbraw/zinc/75/45/76/351754576.db2.gz RWZGOQNGBSJYOL-QMMMGPOBSA-N 0 3 177.219 0.351 20 0 ACADHN CO[C@@]1(CNCCF)CCOC1 159085241 351754760 /nfs/dbraw/zinc/75/47/60/351754760.db2.gz RWZGOQNGBSJYOL-MRVPVSSYSA-N 0 3 177.219 0.351 20 0 ACADHN COC(=O)CCN(C)CC[C@H](C)O 160636684 351758080 /nfs/dbraw/zinc/75/80/80/351758080.db2.gz ZJWXJODBSWOZPP-QMMMGPOBSA-N 0 3 189.255 0.252 20 0 ACADHN COC(=O)CCN(C)CC[C@@H](C)O 160636801 351757934 /nfs/dbraw/zinc/75/79/34/351757934.db2.gz ZJWXJODBSWOZPP-MRVPVSSYSA-N 0 3 189.255 0.252 20 0 ACADHN Cc1nnsc1CNCCCO 163259013 351762015 /nfs/dbraw/zinc/76/20/15/351762015.db2.gz BESMIXJOCQCBQA-UHFFFAOYSA-N 0 3 187.268 0.319 20 0 ACADHN CN(CCO)C[C@H]1COC(C)(C)O1 164581364 351764135 /nfs/dbraw/zinc/76/41/35/351764135.db2.gz GPMMOIPVVKZJFM-QMMMGPOBSA-N 0 3 189.255 0.062 20 0 ACADHN CN(CCO)C[C@@H]1COC(C)(C)O1 164581481 351764307 /nfs/dbraw/zinc/76/43/07/351764307.db2.gz GPMMOIPVVKZJFM-MRVPVSSYSA-N 0 3 189.255 0.062 20 0 ACADHN C[C@H]1CCCN1[C@H](C)C(N)=O 216196774 351787487 /nfs/dbraw/zinc/78/74/87/351787487.db2.gz JISWBFUDDDYKLK-NKWVEPMBSA-N 0 3 156.229 0.345 20 0 ACADHN CC[C@@H](C(N)=O)N1CC[C@@H](C)C1 216198483 351787560 /nfs/dbraw/zinc/78/75/60/351787560.db2.gz GQPPYSQYJIRBJM-SFYZADRCSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@H](C(N)=O)N1CC[C@@H](C)C1 216198435 351787580 /nfs/dbraw/zinc/78/75/80/351787580.db2.gz GQPPYSQYJIRBJM-HTQZYQBOSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@@H]1CCCN([C@H](C)C(N)=O)CC1 216158951 351787637 /nfs/dbraw/zinc/78/76/37/351787637.db2.gz PINCLXTZLCWAGA-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@H](C(N)=O)N1CCC[C@@H](C)C1 216196977 351787665 /nfs/dbraw/zinc/78/76/65/351787665.db2.gz PRVYMNOPRPEECO-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN N[C@@H]1CCN(C2CC2)C[C@@H]1F 218519582 351790393 /nfs/dbraw/zinc/79/03/93/351790393.db2.gz NMNDGFBFFKGLQG-JGVFFNPUSA-N 0 3 158.220 0.520 20 0 ACADHN CCN1CCCN(C(=O)OC)CC1 223517841 351795431 /nfs/dbraw/zinc/79/54/31/351795431.db2.gz CNEHRQDDQJFENS-UHFFFAOYSA-N 0 3 186.255 0.780 20 0 ACADHN C[C@@H]1CCN([C@H](C)C(N)=O)C1 227093708 351802662 /nfs/dbraw/zinc/80/26/62/351802662.db2.gz BSFURKAODHMPJE-RNFRBKRXSA-N 0 3 156.229 0.202 20 0 ACADHN CCNC(=O)N[C@H]1CCN(C)[C@@H](C)C1 229377987 351807380 /nfs/dbraw/zinc/80/73/80/351807380.db2.gz VQPPRGJSOHPBHE-IUCAKERBSA-N 0 3 199.298 0.788 20 0 ACADHN CCNC(=O)N[C@@H]1CCN(C)[C@@H](C)C1 229377975 351807406 /nfs/dbraw/zinc/80/74/06/351807406.db2.gz VQPPRGJSOHPBHE-DTWKUNHWSA-N 0 3 199.298 0.788 20 0 ACADHN CC[C@H](N)C(=O)N[C@@]1(C)CCOC1 229460630 351808402 /nfs/dbraw/zinc/80/84/02/351808402.db2.gz CCIPZBVQODQRMR-CBAPKCEASA-N 0 3 186.255 0.019 20 0 ACADHN CC[C@H](N)C(=O)N[C@]1(C)CCOC1 229460643 351808468 /nfs/dbraw/zinc/80/84/68/351808468.db2.gz CCIPZBVQODQRMR-IONNQARKSA-N 0 3 186.255 0.019 20 0 ACADHN CC(C)CN1C[C@@H](C)O[C@@H](CO)C1 230009234 351810096 /nfs/dbraw/zinc/81/00/96/351810096.db2.gz IPUCWWVTSHIQQP-NXEZZACHSA-N 0 3 187.283 0.724 20 0 ACADHN C[C@@H]1CN(CC2CC2)C[C@@H](CO)O1 230010812 351810176 /nfs/dbraw/zinc/81/01/76/351810176.db2.gz YDMCNQDDSCMMBI-SCZZXKLOSA-N 0 3 185.267 0.478 20 0 ACADHN CC(C)CN1C[C@H](C)O[C@@H](CO)C1 230009238 351810201 /nfs/dbraw/zinc/81/02/01/351810201.db2.gz IPUCWWVTSHIQQP-VHSXEESVSA-N 0 3 187.283 0.724 20 0 ACADHN c1cn2c3c(cnc2n1)CNCC3 232456595 351814529 /nfs/dbraw/zinc/81/45/29/351814529.db2.gz JJQLSUYNIRCQGF-UHFFFAOYSA-N 0 3 174.207 0.375 20 0 ACADHN c1cc2ncc3c(n2n1)CCNC3 232456579 351814751 /nfs/dbraw/zinc/81/47/51/351814751.db2.gz HDUZFXSUWHXBBZ-UHFFFAOYSA-N 0 3 174.207 0.375 20 0 ACADHN Nc1ccncc1O[C@H]1CCOC1 238661989 351823577 /nfs/dbraw/zinc/82/35/77/351823577.db2.gz QAHJXORTSDFGJY-ZETCQYMHSA-N 0 3 180.207 0.832 20 0 ACADHN N[C@H]1CCN(C2CC2)C[C@@H]1F 238686489 351823608 /nfs/dbraw/zinc/82/36/08/351823608.db2.gz NMNDGFBFFKGLQG-YUMQZZPRSA-N 0 3 158.220 0.520 20 0 ACADHN Nc1ccncc1O[C@@H]1CCOC1 238661962 351823756 /nfs/dbraw/zinc/82/37/56/351823756.db2.gz QAHJXORTSDFGJY-SSDOTTSWSA-N 0 3 180.207 0.832 20 0 ACADHN CCN1CCN(CCO)[C@@H](C)C1 250221307 351831392 /nfs/dbraw/zinc/83/13/92/351831392.db2.gz DUKFIKHOIZHIMS-VIFPVBQESA-N 0 3 172.272 0.005 20 0 ACADHN CCN1CCN(C[C@H](C)O)[C@H](C)C1 250306492 351831873 /nfs/dbraw/zinc/83/18/73/351831873.db2.gz LEUVXLQJLVEXPW-ZJUUUORDSA-N 0 3 186.299 0.393 20 0 ACADHN CCN1CCN(C[C@@H](C)O)[C@@H](C)C1 250306489 351831811 /nfs/dbraw/zinc/83/18/11/351831811.db2.gz LEUVXLQJLVEXPW-VHSXEESVSA-N 0 3 186.299 0.393 20 0 ACADHN CCN1CCN(CCO)C[C@H]1C 250319594 351831904 /nfs/dbraw/zinc/83/19/04/351831904.db2.gz MWVORUALNSCBOW-SECBINFHSA-N 0 3 172.272 0.005 20 0 ACADHN CCN1CCN(C[C@H](C)O)[C@@H](C)C1 250306486 351831931 /nfs/dbraw/zinc/83/19/31/351831931.db2.gz LEUVXLQJLVEXPW-UWVGGRQHSA-N 0 3 186.299 0.393 20 0 ACADHN C[C@H]1C[C@@H](C)C[C@H](NC(=O)CN)C1 251802836 351836418 /nfs/dbraw/zinc/83/64/18/351836418.db2.gz GJCXMQNLTCSHPO-BRPSZJMVSA-N 0 3 184.283 0.886 20 0 ACADHN C[C@H]1[C@H](C)CCCN1CC(N)=O 252111035 351836983 /nfs/dbraw/zinc/83/69/83/351836983.db2.gz HTQYKZHJWIOEHV-SFYZADRCSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@H]1CCCN(CC(N)=O)[C@H]1C 252111036 351837466 /nfs/dbraw/zinc/83/74/66/351837466.db2.gz HTQYKZHJWIOEHV-YUMQZZPRSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@@H]1CCCN1[C@H](C)C(N)=O 252121014 351837526 /nfs/dbraw/zinc/83/75/26/351837526.db2.gz JISWBFUDDDYKLK-RNFRBKRXSA-N 0 3 156.229 0.345 20 0 ACADHN O[C@@H]1CCCN(C[C@H]2CCCO2)C1 252391037 351837862 /nfs/dbraw/zinc/83/78/62/351837862.db2.gz RDMCZGBCIGOIJF-NXEZZACHSA-N 0 3 185.267 0.622 20 0 ACADHN O[C@@H]1CCCN([C@H]2CCOC2)C1 252363613 351838131 /nfs/dbraw/zinc/83/81/31/351838131.db2.gz QXLWTMCLCLCLSW-DTWKUNHWSA-N 0 3 171.240 0.232 20 0 ACADHN CC[C@H]1CCCN([C@H](C)C(N)=O)C1 252431305 351838382 /nfs/dbraw/zinc/83/83/82/351838382.db2.gz HEMFZQSXGQPCRO-BDAKNGLRSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@@H]1CCCN([C@H](C)C(N)=O)C1 252431306 351838600 /nfs/dbraw/zinc/83/86/00/351838600.db2.gz HEMFZQSXGQPCRO-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN O[C@H]1CC[C@H](NCc2cc[nH]n2)CC1 252707477 351841946 /nfs/dbraw/zinc/84/19/46/351841946.db2.gz XGHKZEOVIPSOGM-CZMCAQCFSA-N 0 3 195.266 0.803 20 0 ACADHN C[C@@H]1CN(CC(N)=O)CC[C@H]1C 252727485 351842782 /nfs/dbraw/zinc/84/27/82/351842782.db2.gz GNGFSHGXYBRZME-HTQZYQBOSA-N 0 3 170.256 0.450 20 0 ACADHN C[C@H]1CC[C@H](NC(=O)CN)CC1 252895049 351843732 /nfs/dbraw/zinc/84/37/32/351843732.db2.gz XYZAGHBRGZBIJR-ZKCHVHJHSA-N 0 3 170.256 0.640 20 0 ACADHN CNCC(=O)N[C@H]1CC[C@H](C)CC1 252893127 351843837 /nfs/dbraw/zinc/84/38/37/351843837.db2.gz PLRZBWSSRYBXLL-KYZUINATSA-N 0 3 184.283 0.901 20 0 ACADHN CC(C)Cn1cc(CN)c(=O)[nH]c1=O 257996944 351856998 /nfs/dbraw/zinc/85/69/98/351856998.db2.gz WQPROFMSBFAHDN-UHFFFAOYSA-N 0 3 197.238 0.064 20 0 ACADHN CNC(=O)c1cccc2c1CNC2 258353633 351861231 /nfs/dbraw/zinc/86/12/31/351861231.db2.gz ZNWZMKRXUDYGNV-UHFFFAOYSA-N 0 3 176.219 0.649 20 0 ACADHN O=C1CN(C2CCCC2)CCCN1 259127155 351869602 /nfs/dbraw/zinc/86/96/02/351869602.db2.gz AHXSPFQJFIJNFG-UHFFFAOYSA-N 0 3 182.267 0.751 20 0 ACADHN CC[C@H](C)N1CCCNC(=O)C1 259165155 351870285 /nfs/dbraw/zinc/87/02/85/351870285.db2.gz COQWBCRBMXYWHG-QMMMGPOBSA-N 0 3 170.256 0.607 20 0 ACADHN CC[C@@H](C)N1CCCNC(=O)C1 259165153 351870481 /nfs/dbraw/zinc/87/04/81/351870481.db2.gz COQWBCRBMXYWHG-MRVPVSSYSA-N 0 3 170.256 0.607 20 0 ACADHN C1C[C@H](NC2CSC2)CO1 259882054 351881034 /nfs/dbraw/zinc/88/10/34/351881034.db2.gz YLNAGPCOOJWNON-LURJTMIESA-N 0 3 159.254 0.480 20 0 ACADHN C1C[C@@H](NC2CSC2)CO1 259882059 351881324 /nfs/dbraw/zinc/88/13/24/351881324.db2.gz YLNAGPCOOJWNON-ZCFIWIBFSA-N 0 3 159.254 0.480 20 0 ACADHN CNCc1ccnc(C(=O)OC)c1 260450940 351885477 /nfs/dbraw/zinc/88/54/77/351885477.db2.gz DXUBLVSBYHLFNQ-UHFFFAOYSA-N 0 3 180.207 0.588 20 0 ACADHN CCOc1cnc([C@H](C)N)cn1 261508226 351891846 /nfs/dbraw/zinc/89/18/46/351891846.db2.gz QOTNUCIXIAYZPY-LURJTMIESA-N 0 3 167.212 0.895 20 0 ACADHN CCOc1cnc([C@@H](C)N)cn1 261508227 351892119 /nfs/dbraw/zinc/89/21/19/351892119.db2.gz QOTNUCIXIAYZPY-ZCFIWIBFSA-N 0 3 167.212 0.895 20 0 ACADHN C[C@@H]1CCN(Cc2ccno2)[C@H]1CO 299906656 351894134 /nfs/dbraw/zinc/89/41/34/351894134.db2.gz FPINTHNXFUREGC-SCZZXKLOSA-N 0 3 196.250 0.877 20 0 ACADHN C[C@H]1CCN(Cc2ccno2)[C@H]1CO 299906657 351894186 /nfs/dbraw/zinc/89/41/86/351894186.db2.gz FPINTHNXFUREGC-WPRPVWTQSA-N 0 3 196.250 0.877 20 0 ACADHN C[C@@H]1CN(CC2CC2)C[C@H](CO)O1 299920454 351894315 /nfs/dbraw/zinc/89/43/15/351894315.db2.gz YDMCNQDDSCMMBI-PSASIEDQSA-N 0 3 185.267 0.478 20 0 ACADHN C[C@@H]1CN(CC2CCC2)C[C@H](CO)O1 299904920 351894362 /nfs/dbraw/zinc/89/43/62/351894362.db2.gz FQFVWJOBUBSULP-MWLCHTKSSA-N 0 3 199.294 0.868 20 0 ACADHN CC(C)CN1C[C@@H](CO)O[C@H](C)C1 299907680 351894370 /nfs/dbraw/zinc/89/43/70/351894370.db2.gz IPUCWWVTSHIQQP-ZJUUUORDSA-N 0 3 187.283 0.724 20 0 ACADHN CC(C)CN1C[C@H](C)O[C@H](CO)C1 299907679 351894382 /nfs/dbraw/zinc/89/43/82/351894382.db2.gz IPUCWWVTSHIQQP-UWVGGRQHSA-N 0 3 187.283 0.724 20 0 ACADHN CNC1(C(=O)NC2CCC2)CCC1 306147640 351899706 /nfs/dbraw/zinc/89/97/06/351899706.db2.gz AJPMOMBSFCIPOR-UHFFFAOYSA-N 0 3 182.267 0.797 20 0 ACADHN CNC(=O)N[C@@H]1CCN(C(C)C)C1 306157977 351903253 /nfs/dbraw/zinc/90/32/53/351903253.db2.gz CWEKPZLOYQPBPP-MRVPVSSYSA-N 0 3 185.271 0.398 20 0 ACADHN CNC(=O)N[C@H]1CCN(C(C)C)C1 306157980 351903607 /nfs/dbraw/zinc/90/36/07/351903607.db2.gz CWEKPZLOYQPBPP-QMMMGPOBSA-N 0 3 185.271 0.398 20 0 ACADHN C[C@@H]1CCN(CC(N)=O)CC1(C)C 306164217 351903907 /nfs/dbraw/zinc/90/39/07/351903907.db2.gz SCWXXPGKRNUASY-MRVPVSSYSA-N 0 3 184.283 0.840 20 0 ACADHN O[C@H]1CCCN(CCc2cn[nH]c2)C1 306240799 351912292 /nfs/dbraw/zinc/91/22/92/351912292.db2.gz HSOLETYUGGLHIA-JTQLQIEISA-N 0 3 195.266 0.409 20 0 ACADHN O[C@@H]1CCCN(CCc2cn[nH]c2)C1 306240800 351912392 /nfs/dbraw/zinc/91/23/92/351912392.db2.gz HSOLETYUGGLHIA-SNVBAGLBSA-N 0 3 195.266 0.409 20 0 ACADHN C[C@@H]1CN(CC(N)=O)C(C)(C)C1 306240747 351912433 /nfs/dbraw/zinc/91/24/33/351912433.db2.gz HNMWFWFRVZWLIN-ZETCQYMHSA-N 0 3 170.256 0.592 20 0 ACADHN OC[C@]1(F)CCN(CC2CC2)C1 306276936 351914323 /nfs/dbraw/zinc/91/43/23/351914323.db2.gz HHJKZUCTNVMBIZ-VIFPVBQESA-N 0 3 173.231 0.803 20 0 ACADHN OCCN1CCC(C(F)F)CC1 306276690 351914360 /nfs/dbraw/zinc/91/43/60/351914360.db2.gz TVOVJRWZQNBDHD-UHFFFAOYSA-N 0 3 179.210 0.956 20 0 ACADHN OC[C@@]1(F)CCN(CC2CC2)C1 306276935 351914569 /nfs/dbraw/zinc/91/45/69/351914569.db2.gz HHJKZUCTNVMBIZ-SECBINFHSA-N 0 3 173.231 0.803 20 0 ACADHN CC[C@H]1CCCCN1CC(=O)NC 306279266 351914952 /nfs/dbraw/zinc/91/49/52/351914952.db2.gz HGLGVLJHHMOWQN-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CN(C)C(=O)CN1C2CCC1CC2 306280027 351915000 /nfs/dbraw/zinc/91/50/00/351915000.db2.gz HXDMVQLGCLXGRM-UHFFFAOYSA-N 0 3 182.267 0.701 20 0 ACADHN CC[C@@H]1CCCCN1CC(=O)NC 306279260 351915333 /nfs/dbraw/zinc/91/53/33/351915333.db2.gz HGLGVLJHHMOWQN-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN C[C@@H]1CCCN1CC(=O)N(C)C 306287225 351916261 /nfs/dbraw/zinc/91/62/61/351916261.db2.gz KWQQQQFLTDLGKL-MRVPVSSYSA-N 0 3 170.256 0.559 20 0 ACADHN C[C@H]1CCCN1CC(=O)N(C)C 306287234 351916307 /nfs/dbraw/zinc/91/63/07/351916307.db2.gz KWQQQQFLTDLGKL-QMMMGPOBSA-N 0 3 170.256 0.559 20 0 ACADHN C[C@H](O)CN1CCN(C)CC1(C)C 306288335 351917199 /nfs/dbraw/zinc/91/71/99/351917199.db2.gz MLOXMRCUBIFKNL-VIFPVBQESA-N 0 3 186.299 0.393 20 0 ACADHN CC(C)=CCN1C[C@@H](O)[C@@H](CO)C1 306305716 351918572 /nfs/dbraw/zinc/91/85/72/351918572.db2.gz MFDMXWDUFZURJZ-NXEZZACHSA-N 0 3 185.267 0.238 20 0 ACADHN CC(C)=CCN1C[C@@H](O)[C@H](CO)C1 306305718 351918653 /nfs/dbraw/zinc/91/86/53/351918653.db2.gz MFDMXWDUFZURJZ-VHSXEESVSA-N 0 3 185.267 0.238 20 0 ACADHN CC(C)=CCN1C[C@H](O)[C@@H](CO)C1 306305719 351918695 /nfs/dbraw/zinc/91/86/95/351918695.db2.gz MFDMXWDUFZURJZ-ZJUUUORDSA-N 0 3 185.267 0.238 20 0 ACADHN CC(C)=CCN1C[C@@H](CO)[C@@H](O)C1 306305717 351918748 /nfs/dbraw/zinc/91/87/48/351918748.db2.gz MFDMXWDUFZURJZ-UWVGGRQHSA-N 0 3 185.267 0.238 20 0 ACADHN C[C@@H]1CCC[C@@H](C)N(CC(N)=O)C1 306327818 351920577 /nfs/dbraw/zinc/92/05/77/351920577.db2.gz AGURFRDACFCUIP-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN CC(C)(O)CN1CC[C@@](F)(CO)C1 306347313 351921466 /nfs/dbraw/zinc/92/14/66/351921466.db2.gz RXBAEXOLUWETSL-VIFPVBQESA-N 0 3 191.246 0.164 20 0 ACADHN C[C@@H]1C[C@@H](O)CN1Cc1cnc[nH]1 306346243 351921533 /nfs/dbraw/zinc/92/15/33/351921533.db2.gz QTKXDVDSVVPUDM-VXNVDRBHSA-N 0 3 181.239 0.365 20 0 ACADHN CC(C)(O)CN1CC[C@](F)(CO)C1 306347312 351921623 /nfs/dbraw/zinc/92/16/23/351921623.db2.gz RXBAEXOLUWETSL-SECBINFHSA-N 0 3 191.246 0.164 20 0 ACADHN C[C@@H]1C[C@H](O)CN1Cc1cnc[nH]1 306346240 351921821 /nfs/dbraw/zinc/92/18/21/351921821.db2.gz QTKXDVDSVVPUDM-APPZFPTMSA-N 0 3 181.239 0.365 20 0 ACADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1C 306362300 351922582 /nfs/dbraw/zinc/92/25/82/351922582.db2.gz SBWPAGCTZFPOML-RKDXNWHRSA-N 0 3 184.283 0.662 20 0 ACADHN C[C@@H]1CN(CC(=O)N(C)C)C[C@@H]1C 306362298 351922677 /nfs/dbraw/zinc/92/26/77/351922677.db2.gz SBWPAGCTZFPOML-DTORHVGOSA-N 0 3 184.283 0.662 20 0 ACADHN O[C@@H]1CCN(CCc2cscn2)C1 306403254 351926354 /nfs/dbraw/zinc/92/63/54/351926354.db2.gz RLCJXCUBQIEYIL-SECBINFHSA-N 0 3 198.291 0.752 20 0 ACADHN O[C@H]1CCN(CCc2cscn2)C1 306403255 351926400 /nfs/dbraw/zinc/92/64/00/351926400.db2.gz RLCJXCUBQIEYIL-VIFPVBQESA-N 0 3 198.291 0.752 20 0 ACADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(N)=O 306413051 351927015 /nfs/dbraw/zinc/92/70/15/351927015.db2.gz NCABIFHEMJHENP-SVRRBLITSA-N 0 3 183.255 0.137 20 0 ACADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(N)=O 306413049 351927046 /nfs/dbraw/zinc/92/70/46/351927046.db2.gz NCABIFHEMJHENP-HTRCEHHLSA-N 0 3 183.255 0.137 20 0 ACADHN C[C@@H]1CC[C@@H](C)N1C(=O)CN 306424254 351928163 /nfs/dbraw/zinc/92/81/63/351928163.db2.gz GBUGFCUJAFLHNT-RNFRBKRXSA-N 0 3 156.229 0.345 20 0 ACADHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)C 306424569 351928191 /nfs/dbraw/zinc/92/81/91/351928191.db2.gz ILMRCDVFAQGTGY-RKDXNWHRSA-N 0 3 184.283 0.947 20 0 ACADHN C[C@@H]1CC[C@@H](N(C)CC(N)=O)C1 306431193 351928958 /nfs/dbraw/zinc/92/89/58/351928958.db2.gz QYWCNZOMAZCCDI-HTQZYQBOSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@@H]1CC[C@H](N(C)CC(N)=O)C1 306431195 351929038 /nfs/dbraw/zinc/92/90/38/351929038.db2.gz QYWCNZOMAZCCDI-SFYZADRCSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@@H]1[C@@H](C)N(CCCO)CCN1C 306448877 351931576 /nfs/dbraw/zinc/93/15/76/351931576.db2.gz XNSBFKBJIJMWGW-NXEZZACHSA-N 0 3 186.299 0.393 20 0 ACADHN CNC(=O)CN1CCC[C@@H]1C 306492807 351937439 /nfs/dbraw/zinc/93/74/39/351937439.db2.gz RXAKVEYXZAXOQU-ZETCQYMHSA-N 0 3 156.229 0.217 20 0 ACADHN CNC(=O)CN1CCC[C@H]1C 306492806 351937479 /nfs/dbraw/zinc/93/74/79/351937479.db2.gz RXAKVEYXZAXOQU-SSDOTTSWSA-N 0 3 156.229 0.217 20 0 ACADHN C[C@@H]1CCC[C@@H](C)N(C(=O)CN)C1 306518005 351940789 /nfs/dbraw/zinc/94/07/89/351940789.db2.gz BGNINVQUCBCMEE-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN CC1(C)CN[C@H]1C(=O)NC1CCC1 306541281 351943388 /nfs/dbraw/zinc/94/33/88/351943388.db2.gz SOGQVCKTOWBFHD-QMMMGPOBSA-N 0 3 182.267 0.653 20 0 ACADHN CC1(C)CN[C@@H]1C(=O)NC1CCC1 306541280 351943708 /nfs/dbraw/zinc/94/37/08/351943708.db2.gz SOGQVCKTOWBFHD-MRVPVSSYSA-N 0 3 182.267 0.653 20 0 ACADHN CC(C)CN1CCCNC(=O)[C@@H]1C 306548842 351945141 /nfs/dbraw/zinc/94/51/41/351945141.db2.gz XYIOUXVUCDZBEH-VIFPVBQESA-N 0 3 184.283 0.853 20 0 ACADHN CC(C)=CCN(C)[C@@H]1COC[C@H]1O 306560907 351945727 /nfs/dbraw/zinc/94/57/27/351945727.db2.gz RYUMWORTGKFCNS-NXEZZACHSA-N 0 3 185.267 0.644 20 0 ACADHN CC(=O)CN1C[C@H]2C[C@@H](O)CC[C@H]2C1 306578204 351947433 /nfs/dbraw/zinc/94/74/33/351947433.db2.gz LZGGCODYCXRSRC-AXFHLTTASA-N 0 3 197.278 0.668 20 0 ACADHN C[C@@H]1CCCN1CC(=O)N1CCC1 306581604 351948356 /nfs/dbraw/zinc/94/83/56/351948356.db2.gz ZPCLHKQMPCUDLT-SECBINFHSA-N 0 3 182.267 0.703 20 0 ACADHN CC(C)(C)[C@H](N)C(=O)N1C[C@H]2C[C@H]2C1 306599331 351949130 /nfs/dbraw/zinc/94/91/30/351949130.db2.gz RJSVZGCMHHQCLJ-HRDYMLBCSA-N 0 3 196.294 0.838 20 0 ACADHN CN[C@@H](C)C(=O)N1C[C@H]2C[C@H]2C1 306597351 351949300 /nfs/dbraw/zinc/94/93/00/351949300.db2.gz OCVPLQBZXAETHM-BIIVOSGPSA-N 0 3 168.240 0.073 20 0 ACADHN CC(C)=CCN1C[C@@H](O)C[C@H]1CO 306686400 351955744 /nfs/dbraw/zinc/95/57/44/351955744.db2.gz GCWHPUYRKRONBK-UWVGGRQHSA-N 0 3 185.267 0.380 20 0 ACADHN C[C@@H]1[C@@H](C)N(CCO)CCN1C 306698115 351956957 /nfs/dbraw/zinc/95/69/57/351956957.db2.gz CWXYDNBCKGOWRX-RKDXNWHRSA-N 0 3 172.272 0.003 20 0 ACADHN C[C@@H]1C[C@H]1NC(=O)C(N)C(F)(F)F 306719146 351958543 /nfs/dbraw/zinc/95/85/43/351958543.db2.gz XCFXSLKNDWFQFE-WDCZJNDASA-N 0 3 196.172 0.401 20 0 ACADHN C[C@@H]1C[C@H]1NC(=O)C(N)C(F)(F)F 306719145 351958686 /nfs/dbraw/zinc/95/86/86/351958686.db2.gz XCFXSLKNDWFQFE-UOWFLXDJSA-N 0 3 196.172 0.401 20 0 ACADHN CC(C)[C@H](N)C(=O)N1C[C@H]2C[C@H]2C1 306724925 351959430 /nfs/dbraw/zinc/95/94/30/351959430.db2.gz VXUXJNJXZUSGRL-YIZRAAEISA-N 0 3 182.267 0.448 20 0 ACADHN C[C@@H]1C[C@@H](O)CN1CCn1cccn1 306768753 351963374 /nfs/dbraw/zinc/96/33/74/351963374.db2.gz ZKLLXNSZKKUILT-NXEZZACHSA-N 0 3 195.266 0.338 20 0 ACADHN C[C@@H]1C[C@H](O)CN1CCn1cccn1 306768756 351963532 /nfs/dbraw/zinc/96/35/32/351963532.db2.gz ZKLLXNSZKKUILT-ZJUUUORDSA-N 0 3 195.266 0.338 20 0 ACADHN C[C@@H]1OCC[C@@]12NCCc1nc[nH]c12 306793700 351965579 /nfs/dbraw/zinc/96/55/79/351965579.db2.gz GZFWLCHSLNSHOC-OIBJUYFYSA-N 0 3 193.250 0.560 20 0 ACADHN C[C@@H]1OCC[C@]12NCCc1nc[nH]c12 306793703 351965731 /nfs/dbraw/zinc/96/57/31/351965731.db2.gz GZFWLCHSLNSHOC-XVKPBYJWSA-N 0 3 193.250 0.560 20 0 ACADHN C[C@H]1OCC[C@]12NCCc1nc[nH]c12 306793701 351965935 /nfs/dbraw/zinc/96/59/35/351965935.db2.gz GZFWLCHSLNSHOC-XCBNKYQSSA-N 0 3 193.250 0.560 20 0 ACADHN C[C@@H]1NCCN(C(=O)N(C)C)[C@H]1C 306830660 351967413 /nfs/dbraw/zinc/96/74/13/351967413.db2.gz LSNCJMOCXFTBCI-YUMQZZPRSA-N 0 3 185.271 0.350 20 0 ACADHN C[C@@H]1NCCN(C(=O)N(C)C)[C@@H]1C 306830658 351967513 /nfs/dbraw/zinc/96/75/13/351967513.db2.gz LSNCJMOCXFTBCI-JGVFFNPUSA-N 0 3 185.271 0.350 20 0 ACADHN N[C@H](C(=O)N1C[C@H]2C[C@H]2C1)C1CCC1 306844187 351968638 /nfs/dbraw/zinc/96/86/38/351968638.db2.gz DWYNDMVJQQYLTR-AEJSXWLSSA-N 0 3 194.278 0.592 20 0 ACADHN N[C@@H](C(=O)N1C[C@H]2C[C@H]2C1)C1CCC1 306844392 351968773 /nfs/dbraw/zinc/96/87/73/351968773.db2.gz DWYNDMVJQQYLTR-KXUCPTDWSA-N 0 3 194.278 0.592 20 0 ACADHN C[C@@H]1CCN(C(=O)CN)[C@@H]1C 306853072 351969284 /nfs/dbraw/zinc/96/92/84/351969284.db2.gz SQGJNMNPLJUWFU-RNFRBKRXSA-N 0 3 156.229 0.202 20 0 ACADHN CN(C)C1(CNc2cnccn2)CC1 306875517 351970530 /nfs/dbraw/zinc/97/05/30/351970530.db2.gz APLJOJARRQUSDE-UHFFFAOYSA-N 0 3 192.266 0.983 20 0 ACADHN C[C@@H]1CCN(CC(=O)N(C)C)[C@@H]1C 306924908 351974623 /nfs/dbraw/zinc/97/46/23/351974623.db2.gz KVOXQBDFPXJGPY-RKDXNWHRSA-N 0 3 184.283 0.805 20 0 ACADHN C[C@@H]1CN(C)CCN1CCCF 306928400 351975091 /nfs/dbraw/zinc/97/50/91/351975091.db2.gz YBVKWZLWZSGAKK-SECBINFHSA-N 0 3 174.263 0.982 20 0 ACADHN c1nc2c([nH]1)C1(CCC1)NCC2 306963208 351978199 /nfs/dbraw/zinc/97/81/99/351978199.db2.gz HMDPNQUACRZRSN-UHFFFAOYSA-N 0 3 163.224 0.935 20 0 ACADHN CC(C)(O)CN1CC(C(C)(C)O)C1 306973584 351979046 /nfs/dbraw/zinc/97/90/46/351979046.db2.gz XHVVDBGTTQMTPR-UHFFFAOYSA-N 0 3 187.283 0.460 20 0 ACADHN C[C@@H]1C[C@H]1CN1CCOCC1 306975643 351979259 /nfs/dbraw/zinc/97/92/59/351979259.db2.gz ZWBLGPFCRJOSFO-BDAKNGLRSA-N 0 3 155.241 0.975 20 0 ACADHN C[C@@H]1NCCN(C(=O)CC2CC2)[C@@H]1C 307000870 351980179 /nfs/dbraw/zinc/98/01/79/351980179.db2.gz DLGBMLVGNGGAFX-DTWKUNHWSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@@H]1NCCN(C(=O)CC2CC2)[C@H]1C 307000872 351980222 /nfs/dbraw/zinc/98/02/22/351980222.db2.gz DLGBMLVGNGGAFX-IUCAKERBSA-N 0 3 196.294 0.995 20 0 ACADHN CCN1CCCN(C(C)=O)[C@H](C)C1 307030609 351982289 /nfs/dbraw/zinc/98/22/89/351982289.db2.gz NXJSYHIQRRBHHH-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CCN1CCCN(C(=O)NC)[C@H](C)C1 307028076 351982272 /nfs/dbraw/zinc/98/22/72/351982272.db2.gz KKIGPOQOFSIMRE-SECBINFHSA-N 0 3 199.298 0.742 20 0 ACADHN CCN1CCCN(C(=O)NC)[C@@H](C)C1 307028077 351982325 /nfs/dbraw/zinc/98/23/25/351982325.db2.gz KKIGPOQOFSIMRE-VIFPVBQESA-N 0 3 199.298 0.742 20 0 ACADHN CCN1CCCN(C(C)=O)[C@@H](C)C1 307030610 351982446 /nfs/dbraw/zinc/98/24/46/351982446.db2.gz NXJSYHIQRRBHHH-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN C[C@@H]1CN(CCO)[C@H](C)CN1C 307047747 351983265 /nfs/dbraw/zinc/98/32/65/351983265.db2.gz BILKPUZRYSNGQZ-RKDXNWHRSA-N 0 3 172.272 0.003 20 0 ACADHN C[C@@H]1C[C@H]1CN1CCN(C)CC1 307053772 351983785 /nfs/dbraw/zinc/98/37/85/351983785.db2.gz KVZPKNYEXDZRSO-ZJUUUORDSA-N 0 3 168.284 0.890 20 0 ACADHN C[C@@H]1C[C@@H]1CN1CCN(C)CC1 307053769 351983819 /nfs/dbraw/zinc/98/38/19/351983819.db2.gz KVZPKNYEXDZRSO-NXEZZACHSA-N 0 3 168.284 0.890 20 0 ACADHN CC[C@@H]1C[C@H]1NC(=O)[C@@H]1NCC1(C)C 307064813 351983972 /nfs/dbraw/zinc/98/39/72/351983972.db2.gz QNMYVCADTSKJFZ-HLTSFMKQSA-N 0 3 196.294 0.899 20 0 ACADHN CC[C@@H]1C[C@H]1NC(=O)[C@H]1NCC1(C)C 307064815 351984060 /nfs/dbraw/zinc/98/40/60/351984060.db2.gz QNMYVCADTSKJFZ-IWSPIJDZSA-N 0 3 196.294 0.899 20 0 ACADHN C[C@@H]1COCCN1C[C@@H]1CCOC1 307102065 351986938 /nfs/dbraw/zinc/98/69/38/351986938.db2.gz VPWUUTGSWVWRHA-ZJUUUORDSA-N 0 3 185.267 0.744 20 0 ACADHN C[C@@H]1COCCN1C[C@H]1CCOC1 307102061 351986984 /nfs/dbraw/zinc/98/69/84/351986984.db2.gz VPWUUTGSWVWRHA-NXEZZACHSA-N 0 3 185.267 0.744 20 0 ACADHN C[C@@H]1C[C@@H](NC(N)=O)CN1C1CC1 307146566 351990017 /nfs/dbraw/zinc/99/00/17/351990017.db2.gz HFNGDAVOJYESTH-RNFRBKRXSA-N 0 3 183.255 0.280 20 0 ACADHN C[C@@H]1C[C@H](NC(N)=O)CN1C1CC1 307146568 351990100 /nfs/dbraw/zinc/99/01/00/351990100.db2.gz HFNGDAVOJYESTH-RQJHMYQMSA-N 0 3 183.255 0.280 20 0 ACADHN CCn1cc(O[C@@H]2COC[C@@H]2N)cn1 307183128 351992436 /nfs/dbraw/zinc/99/24/36/351992436.db2.gz PCRUUJHUFNVLOX-DTWKUNHWSA-N 0 3 197.238 0.008 20 0 ACADHN C[C@@H]1CCN(CC(=O)NC2CC2)C1 307197507 351993867 /nfs/dbraw/zinc/99/38/67/351993867.db2.gz VZBMIMTUSNNGEN-MRVPVSSYSA-N 0 3 182.267 0.607 20 0 ACADHN C[C@@H]1CN(C[C@@H]2CCOC2)CCO1 307208416 351994665 /nfs/dbraw/zinc/99/46/65/351994665.db2.gz JLXFJXRUNFEEPF-ZJUUUORDSA-N 0 3 185.267 0.744 20 0 ACADHN C[C@@H]1CN(C[C@H]2CCOC2)CCO1 307208415 351994770 /nfs/dbraw/zinc/99/47/70/351994770.db2.gz JLXFJXRUNFEEPF-NXEZZACHSA-N 0 3 185.267 0.744 20 0 ACADHN O=C([C@@H]1CCCCN1)N1C[C@H]2C[C@H]2C1 307213194 351995491 /nfs/dbraw/zinc/99/54/91/351995491.db2.gz QAANJOMQSGJLOM-AEJSXWLSSA-N 0 3 194.278 0.607 20 0 ACADHN O=C1CN(CC2CCC2)CCCN1 307213526 351995947 /nfs/dbraw/zinc/99/59/47/351995947.db2.gz XYIXLKDDXORUKM-UHFFFAOYSA-N 0 3 182.267 0.608 20 0 ACADHN C[C@@H]1CN(C(=O)[C@H](C)N)C(C)(C)C1 307222977 351996837 /nfs/dbraw/zinc/99/68/37/351996837.db2.gz JTNJNYBTNPKZSW-YUMQZZPRSA-N 0 3 184.283 0.981 20 0 ACADHN OCCN1CC[C@H](n2cccn2)C1 307230243 351997407 /nfs/dbraw/zinc/99/74/07/351997407.db2.gz AQAPYVKBXKCHNZ-VIFPVBQESA-N 0 3 181.239 0.122 20 0 ACADHN C[C@@H]1[C@@H](CO)CCN1Cc1ccno1 307267677 351999333 /nfs/dbraw/zinc/99/93/33/351999333.db2.gz DXHAAQMIJGPVAY-RKDXNWHRSA-N 0 3 196.250 0.877 20 0 ACADHN C[C@@H]1[C@H](CO)CCN1Cc1ccno1 307267673 351999465 /nfs/dbraw/zinc/99/94/65/351999465.db2.gz DXHAAQMIJGPVAY-BDAKNGLRSA-N 0 3 196.250 0.877 20 0 ACADHN C[C@@H]1CCN(C(=O)[C@H](N)C2CCC2)C1 307280000 352000392 /nfs/dbraw/zinc/00/03/92/352000392.db2.gz YCNJYNAQZFEFPY-PSASIEDQSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@@H]1CCN(C(=O)[C@@H](N)C2CCC2)C1 307280001 352000622 /nfs/dbraw/zinc/00/06/22/352000622.db2.gz YCNJYNAQZFEFPY-SCZZXKLOSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@@H]1CCN(Cc2cn[nH]n2)C1 307301668 352002181 /nfs/dbraw/zinc/00/21/81/352002181.db2.gz XWWJQCNEJYKRPM-SSDOTTSWSA-N 0 3 166.228 0.647 20 0 ACADHN C[C@@H]1CCN(Cc2c[nH]nn2)C1 307301668 352002183 /nfs/dbraw/zinc/00/21/83/352002183.db2.gz XWWJQCNEJYKRPM-SSDOTTSWSA-N 0 3 166.228 0.647 20 0 ACADHN C[C@@H]1CN(C(=O)[C@@H](C)N)C(C)(C)C1 307327795 352003451 /nfs/dbraw/zinc/00/34/51/352003451.db2.gz JTNJNYBTNPKZSW-JGVFFNPUSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@]1(O)CCC[C@@]1(C)OC1CNC1 307355483 352006452 /nfs/dbraw/zinc/00/64/52/352006452.db2.gz UGUASPHEXFYDEV-VHSXEESVSA-N 0 3 185.267 0.668 20 0 ACADHN C[C@@]1(O)CCC[C@@]1(C)OC1CNC1 307355481 352006567 /nfs/dbraw/zinc/00/65/67/352006567.db2.gz UGUASPHEXFYDEV-NXEZZACHSA-N 0 3 185.267 0.668 20 0 ACADHN C[C@]1(O)CCC[C@]1(C)OC1CNC1 307355482 352006640 /nfs/dbraw/zinc/00/66/40/352006640.db2.gz UGUASPHEXFYDEV-UWVGGRQHSA-N 0 3 185.267 0.668 20 0 ACADHN C[C@]1(OC2CNC2)CCC[C@@]1(C)O 307355484 352006857 /nfs/dbraw/zinc/00/68/57/352006857.db2.gz UGUASPHEXFYDEV-ZJUUUORDSA-N 0 3 185.267 0.668 20 0 ACADHN Cn1cncc1CN[C@H]1CCC[C@@H]1O 307376937 352008241 /nfs/dbraw/zinc/00/82/41/352008241.db2.gz WHDXJNPEZDQGJG-UWVGGRQHSA-N 0 3 195.266 0.423 20 0 ACADHN C[C@@H]1CCCN1[C@H](C)C(=O)N(C)C 307414917 352011030 /nfs/dbraw/zinc/01/10/30/352011030.db2.gz UCPUPCURBHDQKV-RKDXNWHRSA-N 0 3 184.283 0.947 20 0 ACADHN C[C@@H]1CCCCN([C@H](C)C(N)=O)C1 307429008 352012984 /nfs/dbraw/zinc/01/29/84/352012984.db2.gz SWYHEIMEMKPAAF-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@@H]1CCN(CC(N)=O)C[C@@H](C)C1 307436532 352013289 /nfs/dbraw/zinc/01/32/89/352013289.db2.gz UCDBGLXESLPLBS-BDAKNGLRSA-N 0 3 184.283 0.840 20 0 ACADHN C[C@@H]1CCN(CC(N)=O)C[C@H](C)C1 307436538 352013299 /nfs/dbraw/zinc/01/32/99/352013299.db2.gz UCDBGLXESLPLBS-RKDXNWHRSA-N 0 3 184.283 0.840 20 0 ACADHN CCNC(=O)CN1C2CCC1CC2 307455532 352014928 /nfs/dbraw/zinc/01/49/28/352014928.db2.gz XGVRYMHHMWXLKK-UHFFFAOYSA-N 0 3 182.267 0.749 20 0 ACADHN O=c1ccc(CN[C@@H]2CCOC2)c[nH]1 307483872 352016518 /nfs/dbraw/zinc/01/65/18/352016518.db2.gz SSOYFRBMGOAQAJ-SECBINFHSA-N 0 3 194.234 0.666 20 0 ACADHN O=c1ccc(CN[C@H]2CCOC2)c[nH]1 307483874 352016560 /nfs/dbraw/zinc/01/65/60/352016560.db2.gz SSOYFRBMGOAQAJ-VIFPVBQESA-N 0 3 194.234 0.666 20 0 ACADHN O[C@@H]1CC[C@H]1NCc1cncc(F)c1 307494071 352017448 /nfs/dbraw/zinc/01/74/48/352017448.db2.gz FEILGSDTKNTERW-NXEZZACHSA-N 0 3 196.225 0.834 20 0 ACADHN C[C@@H]1C[C@H](O)CN1Cc1cnn(C)c1 307516680 352018632 /nfs/dbraw/zinc/01/86/32/352018632.db2.gz VWJJQJNUEFARRV-SCZZXKLOSA-N 0 3 195.266 0.375 20 0 ACADHN C[C@@H]1C[C@@H](O)CN1Cc1cnn(C)c1 307516679 352018830 /nfs/dbraw/zinc/01/88/30/352018830.db2.gz VWJJQJNUEFARRV-PSASIEDQSA-N 0 3 195.266 0.375 20 0 ACADHN C[C@H](O)CN1CCc2cn[nH]c2C1 307522570 352020073 /nfs/dbraw/zinc/02/00/73/352020073.db2.gz PQKRKZSPMUMVAN-ZETCQYMHSA-N 0 3 181.239 0.149 20 0 ACADHN C[C@@H](O)CN1CCc2cn[nH]c2C1 307522555 352020141 /nfs/dbraw/zinc/02/01/41/352020141.db2.gz PQKRKZSPMUMVAN-SSDOTTSWSA-N 0 3 181.239 0.149 20 0 ACADHN NC1(C(=O)N2C[C@H]3C[C@H]3C2)CCCC1 307572582 352023404 /nfs/dbraw/zinc/02/34/04/352023404.db2.gz DJVJLLJTLGOMIM-DTORHVGOSA-N 0 3 194.278 0.736 20 0 ACADHN C[C@@H]1CCN(C(=O)C(C)(C)N)[C@@H]1C 307599785 352025067 /nfs/dbraw/zinc/02/50/67/352025067.db2.gz QJLGYOKAXFXUSB-HTQZYQBOSA-N 0 3 184.283 0.981 20 0 ACADHN CC(C)N(CC(N)=O)C1CC1 307626336 352026887 /nfs/dbraw/zinc/02/68/87/352026887.db2.gz HMMQYFFEAQZCJO-UHFFFAOYSA-N 0 3 156.229 0.345 20 0 ACADHN CCn1cc([C@@](C)(N)CC)nn1 307637158 352027327 /nfs/dbraw/zinc/02/73/27/352027327.db2.gz WFFCZRNSRGIZOO-QMMMGPOBSA-N 0 3 168.244 0.882 20 0 ACADHN CCn1cc([C@](C)(N)CC)nn1 307637156 352027472 /nfs/dbraw/zinc/02/74/72/352027472.db2.gz WFFCZRNSRGIZOO-MRVPVSSYSA-N 0 3 168.244 0.882 20 0 ACADHN C[C@@H]1C[C@@H](C)N(CC(=O)N(C)C)C1 307704935 352034133 /nfs/dbraw/zinc/03/41/33/352034133.db2.gz XNKFURWPJHYKIN-RKDXNWHRSA-N 0 3 184.283 0.805 20 0 ACADHN Cc1n[nH]cc1CN[C@H]1CCC[C@@H]1O 307717592 352035191 /nfs/dbraw/zinc/03/51/91/352035191.db2.gz JXWOKKXEODRGAB-UWVGGRQHSA-N 0 3 195.266 0.721 20 0 ACADHN C[C@@H]1CCCN1CC(=O)NC1CC1 307742767 352036674 /nfs/dbraw/zinc/03/66/74/352036674.db2.gz KYWYAQDXAOEAAC-MRVPVSSYSA-N 0 3 182.267 0.749 20 0 ACADHN CC(C)=CCN1CCC[C@@H]1C(N)=O 307736874 352036878 /nfs/dbraw/zinc/03/68/78/352036878.db2.gz SWJRMVVGYJKLRC-SECBINFHSA-N 0 3 182.267 0.902 20 0 ACADHN CC(C)=CCN1CCC[C@H]1C(N)=O 307736876 352036956 /nfs/dbraw/zinc/03/69/56/352036956.db2.gz SWJRMVVGYJKLRC-VIFPVBQESA-N 0 3 182.267 0.902 20 0 ACADHN C[C@@H]1CCN([C@H](C)C(=O)N(C)C)C1 307749580 352037990 /nfs/dbraw/zinc/03/79/90/352037990.db2.gz HDZJTIAICGPRLF-RKDXNWHRSA-N 0 3 184.283 0.805 20 0 ACADHN CC[C@@H](C(N)=O)N1CC=C(C)CC1 307759612 352039457 /nfs/dbraw/zinc/03/94/57/352039457.db2.gz SJNLAROTNRZIRB-VIFPVBQESA-N 0 3 182.267 0.902 20 0 ACADHN CNC(=O)CN(C)[C@@H](C)C(C)C 307933738 352040335 /nfs/dbraw/zinc/04/03/35/352040335.db2.gz KOYMOAZAISBPFV-QMMMGPOBSA-N 0 3 172.272 0.709 20 0 ACADHN CNC(=O)CN(C)[C@H](C)C(C)C 307933737 352040465 /nfs/dbraw/zinc/04/04/65/352040465.db2.gz KOYMOAZAISBPFV-MRVPVSSYSA-N 0 3 172.272 0.709 20 0 ACADHN CCCN(CC)CC(=O)NCC 307953099 352040631 /nfs/dbraw/zinc/04/06/31/352040631.db2.gz POUXYCHPZPLNRC-UHFFFAOYSA-N 0 3 172.272 0.854 20 0 ACADHN CCC[C@@H](C)N(C)CC(=O)NC 307972701 352041376 /nfs/dbraw/zinc/04/13/76/352041376.db2.gz IFVILKDXFQJFRC-MRVPVSSYSA-N 0 3 172.272 0.853 20 0 ACADHN CC[C@@H](C(=O)N1CCC1)N(C)C 307976005 352041384 /nfs/dbraw/zinc/04/13/84/352041384.db2.gz LBCGVDMAKCUQFQ-QMMMGPOBSA-N 0 3 170.256 0.559 20 0 ACADHN CCC[C@H](C)N(C)CC(=O)NC 307972702 352041481 /nfs/dbraw/zinc/04/14/81/352041481.db2.gz IFVILKDXFQJFRC-QMMMGPOBSA-N 0 3 172.272 0.853 20 0 ACADHN CCN(CC(=O)NC)CC(C)C 307994460 352042241 /nfs/dbraw/zinc/04/22/41/352042241.db2.gz VJPFGWPAOXBGMV-UHFFFAOYSA-N 0 3 172.272 0.710 20 0 ACADHN CCN(CC)CC(=O)N(C)CC 308124622 352042766 /nfs/dbraw/zinc/04/27/66/352042766.db2.gz UHTIILPZAZVMRL-UHFFFAOYSA-N 0 3 172.272 0.807 20 0 ACADHN CCCN(CC(N)=O)CC(C)C 308105662 352043139 /nfs/dbraw/zinc/04/31/39/352043139.db2.gz HUQQJWCTZYVZKV-UHFFFAOYSA-N 0 3 172.272 0.840 20 0 ACADHN C[C@@H](C1CC1)N(CC(N)=O)C1CC1 308158435 352043779 /nfs/dbraw/zinc/04/37/79/352043779.db2.gz SUPLWXLOZGERHP-ZETCQYMHSA-N 0 3 182.267 0.735 20 0 ACADHN C[C@H](C1CC1)N(C)CC(=O)N(C)C 308136621 352044130 /nfs/dbraw/zinc/04/41/30/352044130.db2.gz FRXHYNBKOWNPDX-MRVPVSSYSA-N 0 3 184.283 0.805 20 0 ACADHN C[C@H](C1CC1)N(CC(N)=O)C1CC1 308158434 352044211 /nfs/dbraw/zinc/04/42/11/352044211.db2.gz SUPLWXLOZGERHP-SSDOTTSWSA-N 0 3 182.267 0.735 20 0 ACADHN CNC(=O)CN(C(C)C)C1CC1 308145712 352044595 /nfs/dbraw/zinc/04/45/95/352044595.db2.gz KBARPSOIMOAWBR-UHFFFAOYSA-N 0 3 170.256 0.605 20 0 ACADHN CNC(=O)CN(C)CC1CCCC1 308221292 352046061 /nfs/dbraw/zinc/04/60/61/352046061.db2.gz CNBIMDHABVSHNZ-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CCC1(C)CN(C[C@@H](O)COC)C1 308217956 352046189 /nfs/dbraw/zinc/04/61/89/352046189.db2.gz KBGRJMPLRRPCLK-SECBINFHSA-N 0 3 187.283 0.726 20 0 ACADHN CCC1(C)CN(C[C@H](O)COC)C1 308217957 352046282 /nfs/dbraw/zinc/04/62/82/352046282.db2.gz KBGRJMPLRRPCLK-VIFPVBQESA-N 0 3 187.283 0.726 20 0 ACADHN C[C@H](CNC(=O)CC1CC1)N(C)C 308331929 352048990 /nfs/dbraw/zinc/04/89/90/352048990.db2.gz LGNALLKOBRCPOQ-MRVPVSSYSA-N 0 3 184.283 0.853 20 0 ACADHN C[C@@H](CNC(=O)CC1CC1)N(C)C 308331930 352049015 /nfs/dbraw/zinc/04/90/15/352049015.db2.gz LGNALLKOBRCPOQ-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN CCCCN(CC(=O)NC)C1CC1 308328371 352049112 /nfs/dbraw/zinc/04/91/12/352049112.db2.gz HDACSOMUHQJMQG-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CC[C@@H](C(=O)N1CCCC1)N(C)C 308326180 352049434 /nfs/dbraw/zinc/04/94/34/352049434.db2.gz FMZIGGDWLGBGKY-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN CCNC(=O)CN(C(C)C)C1CC1 308505229 352052305 /nfs/dbraw/zinc/05/23/05/352052305.db2.gz YYBPQJOOWMMTLQ-UHFFFAOYSA-N 0 3 184.283 0.995 20 0 ACADHN COC[C@H](C)NCc1c(C)cnn1C 308553942 352053081 /nfs/dbraw/zinc/05/30/81/352053081.db2.gz YPWDRVAXXHBXAJ-VIFPVBQESA-N 0 3 197.282 0.853 20 0 ACADHN CCN(Cc1ccoc1)C(=O)CNC 308887931 352053884 /nfs/dbraw/zinc/05/38/84/352053884.db2.gz VAJVRISFGGJMQA-UHFFFAOYSA-N 0 3 196.250 0.848 20 0 ACADHN CCN(Cc1ccoc1)C(=O)[C@@H](C)N 308979083 352053957 /nfs/dbraw/zinc/05/39/57/352053957.db2.gz HMJFLTXDILWMHS-MRVPVSSYSA-N 0 3 196.250 0.975 20 0 ACADHN CCN(Cc1ccoc1)C(=O)[C@H](C)N 308979085 352054042 /nfs/dbraw/zinc/05/40/42/352054042.db2.gz HMJFLTXDILWMHS-QMMMGPOBSA-N 0 3 196.250 0.975 20 0 ACADHN Cn1cc(CCCNCCF)cn1 314496196 352054962 /nfs/dbraw/zinc/05/49/62/352054962.db2.gz LAOWVWSFVJQLAT-UHFFFAOYSA-N 0 3 185.246 0.912 20 0 ACADHN OCCCN1CCOCC2(CCC2)C1 334148481 352056504 /nfs/dbraw/zinc/05/65/04/352056504.db2.gz YKJVSHWNTOVSCR-UHFFFAOYSA-N 0 3 199.294 0.871 20 0 ACADHN CC(C)CN1CCN2C(=O)CC[C@H]2C1 334245674 352059178 /nfs/dbraw/zinc/05/91/78/352059178.db2.gz GDSAVGGKKOQHMA-JTQLQIEISA-N 0 3 196.294 0.949 20 0 ACADHN CC(C)CN1CCN2C(=O)CC[C@@H]2C1 334245676 352059508 /nfs/dbraw/zinc/05/95/08/352059508.db2.gz GDSAVGGKKOQHMA-SNVBAGLBSA-N 0 3 196.294 0.949 20 0 ACADHN CNC(=O)N[C@H]1CCN(CC2CC2)C1 334225098 352059548 /nfs/dbraw/zinc/05/95/48/352059548.db2.gz ASTWJULPVXNILY-VIFPVBQESA-N 0 3 197.282 0.400 20 0 ACADHN CNC(=O)N[C@@H]1CCN(CC2CC2)C1 334225096 352059707 /nfs/dbraw/zinc/05/97/07/352059707.db2.gz ASTWJULPVXNILY-SECBINFHSA-N 0 3 197.282 0.400 20 0 ACADHN C[C@@H]1CN(Cc2cnnn2C)C[C@@H]1C 334258017 352060540 /nfs/dbraw/zinc/06/05/40/352060540.db2.gz OGENHEPRFCYBJD-DTORHVGOSA-N 0 3 194.282 0.903 20 0 ACADHN C[C@@H]1CN(Cc2cnnn2C)C[C@H]1C 334258019 352060839 /nfs/dbraw/zinc/06/08/39/352060839.db2.gz OGENHEPRFCYBJD-RKDXNWHRSA-N 0 3 194.282 0.903 20 0 ACADHN C[C@@H]1CCN([C@H](C)C(=O)NC2CC2)C1 334343517 352064936 /nfs/dbraw/zinc/06/49/36/352064936.db2.gz MHRHDXCZMCJOFD-RKDXNWHRSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@@H]1CCN(CC(=O)N(C)C2CC2)C1 334398164 352068021 /nfs/dbraw/zinc/06/80/21/352068021.db2.gz LUESKWDOEBOETI-SECBINFHSA-N 0 3 196.294 0.949 20 0 ACADHN CN(C)C(=O)CN1CCCC2(CC2)C1 334434442 352069578 /nfs/dbraw/zinc/06/95/78/352069578.db2.gz YJUQOJWLSRIVAD-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 334456642 352070704 /nfs/dbraw/zinc/07/07/04/352070704.db2.gz OHRXNTWOKFHWME-ZJUUUORDSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 334456636 352070866 /nfs/dbraw/zinc/07/08/66/352070866.db2.gz OHRXNTWOKFHWME-UWVGGRQHSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@@H]1CN(C)CCN1Cc1cnc[nH]1 334451161 352070915 /nfs/dbraw/zinc/07/09/15/352070915.db2.gz UYJOUWRDNKPXNO-SECBINFHSA-N 0 3 194.282 0.546 20 0 ACADHN C[C@H]1CN(C)CCN1Cc1cnc[nH]1 334451162 352070932 /nfs/dbraw/zinc/07/09/32/352070932.db2.gz UYJOUWRDNKPXNO-VIFPVBQESA-N 0 3 194.282 0.546 20 0 ACADHN C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 334456639 352071066 /nfs/dbraw/zinc/07/10/66/352071066.db2.gz OHRXNTWOKFHWME-VHSXEESVSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 334456633 352071122 /nfs/dbraw/zinc/07/11/22/352071122.db2.gz OHRXNTWOKFHWME-NXEZZACHSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@@H]1CCCN([C@@H]2CCN(C)C2=O)C1 334481788 352073145 /nfs/dbraw/zinc/07/31/45/352073145.db2.gz WZPNTGQZALMPLO-NXEZZACHSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@@H]1CCCN([C@H]2CCN(C)C2=O)C1 334481791 352073310 /nfs/dbraw/zinc/07/33/10/352073310.db2.gz WZPNTGQZALMPLO-ZJUUUORDSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@@H]1C[C@@H](C)N(CC(=O)NC2CC2)C1 334523269 352073862 /nfs/dbraw/zinc/07/38/62/352073862.db2.gz BYJTWHIOOLWYMR-RKDXNWHRSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@@H]1CN(Cc2c[nH]cn2)C[C@H]1CO 334541133 352074953 /nfs/dbraw/zinc/07/49/53/352074953.db2.gz RVFVYMWYYPANPY-BDAKNGLRSA-N 0 3 195.266 0.470 20 0 ACADHN C[C@@H]1CN(Cc2cnc[nH]2)C[C@H]1CO 334541133 352074956 /nfs/dbraw/zinc/07/49/56/352074956.db2.gz RVFVYMWYYPANPY-BDAKNGLRSA-N 0 3 195.266 0.470 20 0 ACADHN C[C@@H]1[C@@H](CO)CCN1Cc1c[nH]cn1 334540285 352075043 /nfs/dbraw/zinc/07/50/43/352075043.db2.gz JYRFRKRNRLPAQR-RKDXNWHRSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@@H]1[C@@H](CO)CCN1Cc1cnc[nH]1 334540285 352075047 /nfs/dbraw/zinc/07/50/47/352075047.db2.gz JYRFRKRNRLPAQR-RKDXNWHRSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@@H]1[C@H](CO)CCN1Cc1c[nH]cn1 334540278 352075066 /nfs/dbraw/zinc/07/50/66/352075066.db2.gz JYRFRKRNRLPAQR-BDAKNGLRSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@@H]1[C@H](CO)CCN1Cc1cnc[nH]1 334540278 352075070 /nfs/dbraw/zinc/07/50/70/352075070.db2.gz JYRFRKRNRLPAQR-BDAKNGLRSA-N 0 3 195.266 0.612 20 0 ACADHN O[C@H]1CN(CC2=CCCCC2)C[C@@H]1O 334620406 352076366 /nfs/dbraw/zinc/07/63/66/352076366.db2.gz NCDBLPVEYXFIHG-QWRGUYRKSA-N 0 3 197.278 0.524 20 0 ACADHN O[C@@H]1CN(CC2=CCCCC2)C[C@H]1O 334620403 352076613 /nfs/dbraw/zinc/07/66/13/352076613.db2.gz NCDBLPVEYXFIHG-GHMZBOCLSA-N 0 3 197.278 0.524 20 0 ACADHN O[C@H]1CN(CC2=CCCCC2)C[C@H]1O 334620404 352076803 /nfs/dbraw/zinc/07/68/03/352076803.db2.gz NCDBLPVEYXFIHG-PHIMTYICSA-N 0 3 197.278 0.524 20 0 ACADHN OCCN1CCSC[C@@H]1C1CC1 334626408 352077528 /nfs/dbraw/zinc/07/75/28/352077528.db2.gz JTMLXPNAGMLAMW-SECBINFHSA-N 0 3 187.308 0.806 20 0 ACADHN OCCN1CCSC[C@H]1C1CC1 334626411 352077589 /nfs/dbraw/zinc/07/75/89/352077589.db2.gz JTMLXPNAGMLAMW-VIFPVBQESA-N 0 3 187.308 0.806 20 0 ACADHN C[C@@H]1CCCN(CC(=O)N2CCC2)C1 334684775 352078736 /nfs/dbraw/zinc/07/87/36/352078736.db2.gz LACJFSHNLLLFJY-SNVBAGLBSA-N 0 3 196.294 0.951 20 0 ACADHN CC[C@@H](O)CN1CC[C@H](F)C1 334697451 352079863 /nfs/dbraw/zinc/07/98/63/352079863.db2.gz CJRKPQANURRCEF-JGVFFNPUSA-N 0 3 161.220 0.801 20 0 ACADHN CC[C@H](O)CN1CC[C@H](F)C1 334697453 352080073 /nfs/dbraw/zinc/08/00/73/352080073.db2.gz CJRKPQANURRCEF-YUMQZZPRSA-N 0 3 161.220 0.801 20 0 ACADHN O[C@@H]1COC[C@@H]1N1CCCC2(CC2)C1 334915809 352085172 /nfs/dbraw/zinc/08/51/72/352085172.db2.gz RCNPLGVUMODOQC-VHSXEESVSA-N 0 3 197.278 0.622 20 0 ACADHN O[C@@H]1COC[C@H]1N1CCCC2(CC2)C1 334915808 352085776 /nfs/dbraw/zinc/08/57/76/352085776.db2.gz RCNPLGVUMODOQC-NXEZZACHSA-N 0 3 197.278 0.622 20 0 ACADHN C[C@@H]1CCN(C(=O)CN)C[C@H](C)C1 335008440 352086832 /nfs/dbraw/zinc/08/68/32/352086832.db2.gz HPYZTOPTBJNXIR-RKDXNWHRSA-N 0 3 184.283 0.840 20 0 ACADHN C[C@@H]1CCN(C(=O)CN)C[C@@H](C)C1 335008437 352087143 /nfs/dbraw/zinc/08/71/43/352087143.db2.gz HPYZTOPTBJNXIR-BDAKNGLRSA-N 0 3 184.283 0.840 20 0 ACADHN C[C@@H]1CCCCN(C(=O)[C@@H](C)N)C1 335022045 352087609 /nfs/dbraw/zinc/08/76/09/352087609.db2.gz CPPLDFWYCMUFFH-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@@H]1CCCCN(C(=O)CN)C1 335025937 352087862 /nfs/dbraw/zinc/08/78/62/352087862.db2.gz VLQRDGQGLANPCH-MRVPVSSYSA-N 0 3 170.256 0.594 20 0 ACADHN C[C@@H]1CCN(C(=O)CN)CC1(C)C 335028492 352087943 /nfs/dbraw/zinc/08/79/43/352087943.db2.gz LODPICIULIPASK-MRVPVSSYSA-N 0 3 184.283 0.840 20 0 ACADHN CC(C)=CCN1CC[C@H](CO)[C@@H](O)C1 335110736 352089405 /nfs/dbraw/zinc/08/94/05/352089405.db2.gz IKEUJMCLXCAWSG-MNOVXSKESA-N 0 3 199.294 0.628 20 0 ACADHN CC(C)=CCN1CC[C@@H](CO)[C@@H](O)C1 335110740 352089437 /nfs/dbraw/zinc/08/94/37/352089437.db2.gz IKEUJMCLXCAWSG-QWRGUYRKSA-N 0 3 199.294 0.628 20 0 ACADHN CC(C)=CCN1CC[C@@H](CO)[C@H](O)C1 335110746 352089447 /nfs/dbraw/zinc/08/94/47/352089447.db2.gz IKEUJMCLXCAWSG-WDEREUQCSA-N 0 3 199.294 0.628 20 0 ACADHN CC(C)=CCN1CC[C@H](CO)[C@H](O)C1 335110730 352089575 /nfs/dbraw/zinc/08/95/75/352089575.db2.gz IKEUJMCLXCAWSG-GHMZBOCLSA-N 0 3 199.294 0.628 20 0 ACADHN C[C@@H]1C[C@@H](C)N(CC(=O)N2CCC2)C1 335164479 352089963 /nfs/dbraw/zinc/08/99/63/352089963.db2.gz MHAFSYRGQIMQQE-NXEZZACHSA-N 0 3 196.294 0.949 20 0 ACADHN CC(C)(N)C(=O)N[C@@H]1C=CCCC1 335354011 352094902 /nfs/dbraw/zinc/09/49/02/352094902.db2.gz BLOMIWXBTIGXFK-MRVPVSSYSA-N 0 3 182.267 0.949 20 0 ACADHN CC(C)(N)C(=O)N[C@H]1C=CCCC1 335354029 352095112 /nfs/dbraw/zinc/09/51/12/352095112.db2.gz BLOMIWXBTIGXFK-QMMMGPOBSA-N 0 3 182.267 0.949 20 0 ACADHN C[C@@H]1C[C@@H](NCc2cncn2C)CO1 335426029 352097163 /nfs/dbraw/zinc/09/71/63/352097163.db2.gz PJLQNBVWLVSCKN-RKDXNWHRSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@@H]1C[C@H](NCc2cncn2C)CO1 335426026 352097479 /nfs/dbraw/zinc/09/74/79/352097479.db2.gz PJLQNBVWLVSCKN-BDAKNGLRSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@@H]1C[C@@H](NC(=O)C2(N)CCC2)CO1 335437690 352098079 /nfs/dbraw/zinc/09/80/79/352098079.db2.gz GXAFFBICRVVMAH-HTQZYQBOSA-N 0 3 198.266 0.161 20 0 ACADHN C[C@@H]1C[C@H](NC(=O)C(C)(C)N)CO1 335438311 352098085 /nfs/dbraw/zinc/09/80/85/352098085.db2.gz LHFSBQFPFCDYBI-RQJHMYQMSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@@H]1C[C@@H](NC(=O)C(C)(C)N)CO1 335438310 352098167 /nfs/dbraw/zinc/09/81/67/352098167.db2.gz LHFSBQFPFCDYBI-RNFRBKRXSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@@H]1C[C@H](NC(=O)C2(N)CCC2)CO1 335437693 352098205 /nfs/dbraw/zinc/09/82/05/352098205.db2.gz GXAFFBICRVVMAH-SFYZADRCSA-N 0 3 198.266 0.161 20 0 ACADHN C[C@@H]1N(C[C@@H](C)O)CCOC1(C)C 335530941 352101795 /nfs/dbraw/zinc/10/17/95/352101795.db2.gz VNOPGUWXBFQIER-BDAKNGLRSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@@H]1CN(C)CCN1C[C@@H]1CCCO1 335521010 352102237 /nfs/dbraw/zinc/10/22/37/352102237.db2.gz SRKYPSUHHKOVFP-MNOVXSKESA-N 0 3 198.310 0.801 20 0 ACADHN CC[C@@H](C(=O)N1CC(F)C1)N(C)C 335574516 352104869 /nfs/dbraw/zinc/10/48/69/352104869.db2.gz YFNJQAHZUPHOPS-QMMMGPOBSA-N 0 3 188.246 0.507 20 0 ACADHN CC(C)CNC(=O)N1CCCNCC1 335648875 352107283 /nfs/dbraw/zinc/10/72/83/352107283.db2.gz IBNBEDOZYXJSCW-UHFFFAOYSA-N 0 3 199.298 0.647 20 0 ACADHN C[C@@H]1C[C@H](NCc2ccnn2C)CO1 335655771 352107530 /nfs/dbraw/zinc/10/75/30/352107530.db2.gz HJRCMQTYCTUCPM-BDAKNGLRSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@@H]1C[C@H](NCc2cnn(C)c2)CO1 335656559 352107553 /nfs/dbraw/zinc/10/75/53/352107553.db2.gz NEYRRTTUDZOUNY-SCZZXKLOSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@@H]1CCN(C(=O)[C@@H](C)NC2CC2)C1 335657216 352107669 /nfs/dbraw/zinc/10/76/69/352107669.db2.gz OPFVCEOEDSFTCP-RKDXNWHRSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@@H]1C[C@@H](NCc2ccnn2C)CO1 335655774 352107678 /nfs/dbraw/zinc/10/76/78/352107678.db2.gz HJRCMQTYCTUCPM-RKDXNWHRSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@@H]1C[C@@H](NCc2cnn(C)c2)CO1 335656558 352107713 /nfs/dbraw/zinc/10/77/13/352107713.db2.gz NEYRRTTUDZOUNY-PSASIEDQSA-N 0 3 195.266 0.687 20 0 ACADHN C[C@@H]1C[C@H]1CN1CCNC(=O)C1(C)C 335733277 352110857 /nfs/dbraw/zinc/11/08/57/352110857.db2.gz SUEFMCKCHCOWJO-BDAKNGLRSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@@H]1C[C@@H]1CN1CCNC(=O)C1(C)C 335733280 352110956 /nfs/dbraw/zinc/11/09/56/352110956.db2.gz SUEFMCKCHCOWJO-RKDXNWHRSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@@H]1CN(Cc2ccno2)C[C@H]1CO 335751746 352111426 /nfs/dbraw/zinc/11/14/26/352111426.db2.gz LJDBQXNUBYTGBD-BDAKNGLRSA-N 0 3 196.250 0.735 20 0 ACADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@H]1C 335824728 352114732 /nfs/dbraw/zinc/11/47/32/352114732.db2.gz UDIBWEWOBPQWHC-RKDXNWHRSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@@H]1CN(CC(=O)NC2CC2)C[C@@H]1C 335824726 352114847 /nfs/dbraw/zinc/11/48/47/352114847.db2.gz UDIBWEWOBPQWHC-DTORHVGOSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@@H]1CCN(CC(=O)NC2CC2)[C@@H]1C 335854280 352115937 /nfs/dbraw/zinc/11/59/37/352115937.db2.gz DPLPBLMIMBRZCI-RKDXNWHRSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@@H]1COCCN(Cc2cnc[nH]2)C1 335915269 352118791 /nfs/dbraw/zinc/11/87/91/352118791.db2.gz ONLGNWULJYJFAI-VIFPVBQESA-N 0 3 195.266 0.878 20 0 ACADHN CC[C@@H](C)N1CCN2C(=O)NC[C@H]2C1 335973825 352121007 /nfs/dbraw/zinc/12/10/07/352121007.db2.gz STQNXIRISUYCPC-BDAKNGLRSA-N 0 3 197.282 0.494 20 0 ACADHN CC[C@@H](C)N1CCN2C(=O)NC[C@@H]2C1 335973828 352121124 /nfs/dbraw/zinc/12/11/24/352121124.db2.gz STQNXIRISUYCPC-RKDXNWHRSA-N 0 3 197.282 0.494 20 0 ACADHN C[C@@H]1C[C@H](O)CN1Cc1ccn(C)c1 336054346 352123693 /nfs/dbraw/zinc/12/36/93/352123693.db2.gz BAVFWMJDQGGRDW-KOLCDFICSA-N 0 3 194.278 0.980 20 0 ACADHN C[C@@H]1C[C@@H](O)CN1Cc1ccn(C)c1 336054347 352123720 /nfs/dbraw/zinc/12/37/20/352123720.db2.gz BAVFWMJDQGGRDW-MWLCHTKSSA-N 0 3 194.278 0.980 20 0 ACADHN C[C@@H]1C[C@H]1NC(=O)C1CCN(C)CC1 336044124 352123747 /nfs/dbraw/zinc/12/37/47/352123747.db2.gz KUNXQKFGOOJULH-PSASIEDQSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@@H]1C[C@@H]1NC(=O)C1CCN(C)CC1 336044125 352123874 /nfs/dbraw/zinc/12/38/74/352123874.db2.gz KUNXQKFGOOJULH-SCZZXKLOSA-N 0 3 196.294 0.853 20 0 ACADHN C[C@@H]1CN(CC(=O)N2CCC2)C[C@@H]1C 336040351 352123998 /nfs/dbraw/zinc/12/39/98/352123998.db2.gz HRLYWNJIMCMFLV-AOOOYVTPSA-N 0 3 196.294 0.807 20 0 ACADHN C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1C 336040352 352124039 /nfs/dbraw/zinc/12/40/39/352124039.db2.gz HRLYWNJIMCMFLV-NXEZZACHSA-N 0 3 196.294 0.807 20 0 ACADHN C[C@@H]1CCCN1[C@H](C)C(=O)NC(N)=O 336040311 352124053 /nfs/dbraw/zinc/12/40/53/352124053.db2.gz AHIUZZLJUWSWQI-RNFRBKRXSA-N 0 3 199.254 0.054 20 0 ACADHN C[C@@H]1CCN(Cc2c[nH]cn2)[C@H]1CO 336087577 352124865 /nfs/dbraw/zinc/12/48/65/352124865.db2.gz KURWIXFTCDLJDJ-SCZZXKLOSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@@H]1CCN(Cc2cnc[nH]2)[C@H]1CO 336087577 352124867 /nfs/dbraw/zinc/12/48/67/352124867.db2.gz KURWIXFTCDLJDJ-SCZZXKLOSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@@H]1CCN(Cc2c[nH]cn2)[C@@H]1CO 336087576 352124892 /nfs/dbraw/zinc/12/48/92/352124892.db2.gz KURWIXFTCDLJDJ-PSASIEDQSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@@H]1CCN(Cc2cnc[nH]2)[C@@H]1CO 336087576 352124895 /nfs/dbraw/zinc/12/48/95/352124895.db2.gz KURWIXFTCDLJDJ-PSASIEDQSA-N 0 3 195.266 0.612 20 0 ACADHN CN(CC1(C)CCC1)[C@@H]1CCNC1=O 336138693 352127082 /nfs/dbraw/zinc/12/70/82/352127082.db2.gz HLHJOIXNMSGWTL-SECBINFHSA-N 0 3 196.294 0.997 20 0 ACADHN CN(CC1(C)CCC1)[C@H]1CCNC1=O 336138694 352127479 /nfs/dbraw/zinc/12/74/79/352127479.db2.gz HLHJOIXNMSGWTL-VIFPVBQESA-N 0 3 196.294 0.997 20 0 ACADHN CC(C)CN1CCN2C(=O)NC[C@H]2C1 336210170 352129729 /nfs/dbraw/zinc/12/97/29/352129729.db2.gz ARQMCEGFZVECEB-VIFPVBQESA-N 0 3 197.282 0.352 20 0 ACADHN C[C@@H]1CCCN1Cc1cn[nH]n1 336194289 352128672 /nfs/dbraw/zinc/12/86/72/352128672.db2.gz DWDYBOFNYRBMQZ-SSDOTTSWSA-N 0 3 166.228 0.789 20 0 ACADHN C[C@@H]1CCCN1Cc1c[nH]nn1 336194289 352128674 /nfs/dbraw/zinc/12/86/74/352128674.db2.gz DWDYBOFNYRBMQZ-SSDOTTSWSA-N 0 3 166.228 0.789 20 0 ACADHN C[C@@H]1CN(Cc2cn[nH]n2)C[C@@H]1C 336194529 352129148 /nfs/dbraw/zinc/12/91/48/352129148.db2.gz LXZZFGPBIGTINH-OCAPTIKFSA-N 0 3 180.255 0.893 20 0 ACADHN C[C@@H]1CN(Cc2cn[nH]n2)C[C@H]1C 336194528 352129421 /nfs/dbraw/zinc/12/94/21/352129421.db2.gz LXZZFGPBIGTINH-HTQZYQBOSA-N 0 3 180.255 0.893 20 0 ACADHN CC(C)CN1CCN2C(=O)NC[C@@H]2C1 336210169 352130405 /nfs/dbraw/zinc/13/04/05/352130405.db2.gz ARQMCEGFZVECEB-SECBINFHSA-N 0 3 197.282 0.352 20 0 ACADHN c1cnn(CCN2CCCOCC2)c1 336264921 352132669 /nfs/dbraw/zinc/13/26/69/352132669.db2.gz QUJDCKYWSFZIJQ-UHFFFAOYSA-N 0 3 195.266 0.605 20 0 ACADHN c1cn(CCN2CCCOCC2)cn1 336264871 352133079 /nfs/dbraw/zinc/13/30/79/352133079.db2.gz APYGLFRVJBOERN-UHFFFAOYSA-N 0 3 195.266 0.605 20 0 ACADHN CC(C)CN(C)[C@@H]1CCN(C)C1=O 336354197 352138107 /nfs/dbraw/zinc/13/81/07/352138107.db2.gz XIULBPKKJTZWMG-SECBINFHSA-N 0 3 184.283 0.805 20 0 ACADHN CC(C)CN(C)[C@H]1CCN(C)C1=O 336354199 352138741 /nfs/dbraw/zinc/13/87/41/352138741.db2.gz XIULBPKKJTZWMG-VIFPVBQESA-N 0 3 184.283 0.805 20 0 ACADHN C[C@@H]1CCN(CC(=O)N2CCCC2)C1 336359308 352138773 /nfs/dbraw/zinc/13/87/73/352138773.db2.gz BNRULBKVGQFSRQ-SNVBAGLBSA-N 0 3 196.294 0.951 20 0 ACADHN C[C@@H]1CCN(Cc2cnc[nH]2)C[C@H]1O 336395099 352139392 /nfs/dbraw/zinc/13/93/92/352139392.db2.gz BPMZKTGMLHJPJI-PSASIEDQSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@@H]1CCN(Cc2cnc[nH]2)C[C@@H]1O 336395100 352140291 /nfs/dbraw/zinc/14/02/91/352140291.db2.gz BPMZKTGMLHJPJI-SCZZXKLOSA-N 0 3 195.266 0.612 20 0 ACADHN OCCN1CCOC[C@H](C2CCC2)C1 336415890 352140349 /nfs/dbraw/zinc/14/03/49/352140349.db2.gz CWUGVWHERYOJNQ-LLVKDONJSA-N 0 3 199.294 0.727 20 0 ACADHN OCCN1CCC([C@H]2CCCO2)CC1 336403931 352140370 /nfs/dbraw/zinc/14/03/70/352140370.db2.gz DZMIYWYAMSJDIJ-LLVKDONJSA-N 0 3 199.294 0.870 20 0 ACADHN OCCN1CCC([C@@H]2CCCO2)CC1 336403932 352140438 /nfs/dbraw/zinc/14/04/38/352140438.db2.gz DZMIYWYAMSJDIJ-NSHDSACASA-N 0 3 199.294 0.870 20 0 ACADHN OCCN1CCOC[C@@H](C2CCC2)C1 336415891 352140528 /nfs/dbraw/zinc/14/05/28/352140528.db2.gz CWUGVWHERYOJNQ-NSHDSACASA-N 0 3 199.294 0.727 20 0 ACADHN C[C@@H]1CCN(C)CCN1C(=O)C1CC1 336435636 352141163 /nfs/dbraw/zinc/14/11/63/352141163.db2.gz AAZNCNWRKJBHHT-SECBINFHSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@@H]1CCN(CC(=O)N2CCC2)[C@@H]1C 336473670 352142921 /nfs/dbraw/zinc/14/29/21/352142921.db2.gz SGQVKSLMCKWDLG-NXEZZACHSA-N 0 3 196.294 0.949 20 0 ACADHN C[C@@H]1CCN(C)CCN1C(=O)N(C)C 336520535 352143602 /nfs/dbraw/zinc/14/36/02/352143602.db2.gz MWJVDLZCYLUEAI-SECBINFHSA-N 0 3 199.298 0.694 20 0 ACADHN OCCN1CCC[C@H](c2ncc[nH]2)C1 336552551 352145492 /nfs/dbraw/zinc/14/54/92/352145492.db2.gz HMNCZARUBQBSGF-VIFPVBQESA-N 0 3 195.266 0.581 20 0 ACADHN OCCN1CCC[C@@H](c2ncc[nH]2)C1 336552550 352145511 /nfs/dbraw/zinc/14/55/11/352145511.db2.gz HMNCZARUBQBSGF-SECBINFHSA-N 0 3 195.266 0.581 20 0 ACADHN CC[C@@H](C)N(C)[C@H]1CCNC1=O 336552798 352145546 /nfs/dbraw/zinc/14/55/46/352145546.db2.gz ZLPLGHIWLYNQSS-SFYZADRCSA-N 0 3 170.256 0.605 20 0 ACADHN CC[C@@H](C)N(C)[C@@H]1CCNC1=O 336552796 352145684 /nfs/dbraw/zinc/14/56/84/352145684.db2.gz ZLPLGHIWLYNQSS-HTQZYQBOSA-N 0 3 170.256 0.605 20 0 ACADHN C[C@@H]1CCN([C@@H]2CCN(C)C2=O)C1 336553660 352146267 /nfs/dbraw/zinc/14/62/67/352146267.db2.gz OGYUUVBPIIBQFY-RKDXNWHRSA-N 0 3 182.267 0.559 20 0 ACADHN C[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 336553657 352146319 /nfs/dbraw/zinc/14/63/19/352146319.db2.gz OGYUUVBPIIBQFY-BDAKNGLRSA-N 0 3 182.267 0.559 20 0 ACADHN OCCN1CCC[C@@H](n2cccn2)C1 336553036 352146379 /nfs/dbraw/zinc/14/63/79/352146379.db2.gz MJGHFVBHDJNQQP-SNVBAGLBSA-N 0 3 195.266 0.512 20 0 ACADHN C[C@@H]1CCCN1[C@H]1CCN(C)C1=O 336553609 352146432 /nfs/dbraw/zinc/14/64/32/352146432.db2.gz BIFXAFNCDILKPX-BDAKNGLRSA-N 0 3 182.267 0.701 20 0 ACADHN OCCN1CCC[C@H](n2cccn2)C1 336553035 352146656 /nfs/dbraw/zinc/14/66/56/352146656.db2.gz MJGHFVBHDJNQQP-JTQLQIEISA-N 0 3 195.266 0.512 20 0 ACADHN C[C@@H]1CCCN1[C@@H]1CCN(C)C1=O 336553612 352146682 /nfs/dbraw/zinc/14/66/82/352146682.db2.gz BIFXAFNCDILKPX-RKDXNWHRSA-N 0 3 182.267 0.701 20 0 ACADHN C[C@@H]1N(CCCO)CCOC1(C)C 336554024 352147174 /nfs/dbraw/zinc/14/71/74/352147174.db2.gz CJNRLFWFYQTXNL-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN CC(C)CN(C)[C@H]1CCCNC1=O 336553959 352147628 /nfs/dbraw/zinc/14/76/28/352147628.db2.gz ONDMBKPETKPVAF-VIFPVBQESA-N 0 3 184.283 0.853 20 0 ACADHN CC(C)CN(C)[C@@H]1CCCNC1=O 336553958 352147876 /nfs/dbraw/zinc/14/78/76/352147876.db2.gz ONDMBKPETKPVAF-SECBINFHSA-N 0 3 184.283 0.853 20 0 ACADHN C[C@@H]1C[C@H](O)CN1Cc1cccn1C 336608717 352150087 /nfs/dbraw/zinc/15/00/87/352150087.db2.gz UYCDBBCNOXRAAL-KOLCDFICSA-N 0 3 194.278 0.980 20 0 ACADHN C[C@@H]1C[C@@H](O)CN1Cc1cccn1C 336608718 352150302 /nfs/dbraw/zinc/15/03/02/352150302.db2.gz UYCDBBCNOXRAAL-MWLCHTKSSA-N 0 3 194.278 0.980 20 0 ACADHN CCNC(=O)CN(CC)C1CCC1 379370994 352152989 /nfs/dbraw/zinc/15/29/89/352152989.db2.gz HBORMKXWJNESHJ-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN Cc1cc(CNCC2(C)COC2)[nH]n1 379668639 352153283 /nfs/dbraw/zinc/15/32/83/352153283.db2.gz ZXMWQPZEVFSHQG-UHFFFAOYSA-N 0 3 195.266 0.844 20 0 ACADHN CON(C)C(=O)C12CCCN1CCC2 409434278 352162059 /nfs/dbraw/zinc/16/20/59/352162059.db2.gz WIBGVYVAPCMFMT-UHFFFAOYSA-N 0 3 198.266 0.635 20 0 ACADHN C[C@@H]1CSC[C@@]1(N)c1ncc[nH]1 521401394 352164139 /nfs/dbraw/zinc/16/41/39/352164139.db2.gz KOWIFLUECMIEEP-SVRRBLITSA-N 0 3 183.280 0.947 20 0 ACADHN C[C@@H]1CSC[C@]1(N)c1ncc[nH]1 521401389 352164187 /nfs/dbraw/zinc/16/41/87/352164187.db2.gz KOWIFLUECMIEEP-HTRCEHHLSA-N 0 3 183.280 0.947 20 0 ACADHN C[C@H]1CSC[C@@]1(N)c1ncc[nH]1 521401396 352164266 /nfs/dbraw/zinc/16/42/66/352164266.db2.gz KOWIFLUECMIEEP-XPUUQOCRSA-N 0 3 183.280 0.947 20 0 ACADHN COCc1noc([C@H]2OCC[C@H]2N)n1 521401902 352164674 /nfs/dbraw/zinc/16/46/74/352164674.db2.gz QXFXVHXYMMKOLJ-VDTYLAMSSA-N 0 3 199.210 0.005 20 0 ACADHN COCc1noc([C@@H]2OCC[C@@H]2N)n1 521401899 352164686 /nfs/dbraw/zinc/16/46/86/352164686.db2.gz QXFXVHXYMMKOLJ-CAHLUQPWSA-N 0 3 199.210 0.005 20 0 ACADHN COCc1noc([C@H]2OCC[C@@H]2N)n1 521401900 352164706 /nfs/dbraw/zinc/16/47/06/352164706.db2.gz QXFXVHXYMMKOLJ-FSPLSTOPSA-N 0 3 199.210 0.005 20 0 ACADHN COCc1noc([C@@H]2OCC[C@H]2N)n1 521401901 352164805 /nfs/dbraw/zinc/16/48/05/352164805.db2.gz QXFXVHXYMMKOLJ-IYSWYEEDSA-N 0 3 199.210 0.005 20 0 ACADHN Cc1cc(CN2CC[C@@H](O)C2)ccn1 527534626 352166610 /nfs/dbraw/zinc/16/66/10/352166610.db2.gz NRQTXVFPFATXQD-LLVKDONJSA-N 0 3 192.262 0.957 20 0 ACADHN Cc1cc(CN2CC[C@H](O)C2)ccn1 527534627 352166630 /nfs/dbraw/zinc/16/66/30/352166630.db2.gz NRQTXVFPFATXQD-NSHDSACASA-N 0 3 192.262 0.957 20 0 ACADHN Cn1cc(CNCC2CC=CC2)nn1 527751282 352169827 /nfs/dbraw/zinc/16/98/27/352169827.db2.gz VJCSRGURUNRBHW-UHFFFAOYSA-N 0 3 192.266 0.871 20 0 ACADHN C[C@@H](NCC1COC1)c1cn[nH]c1 528025030 352174684 /nfs/dbraw/zinc/17/46/84/352174684.db2.gz GDHLAJZUCZODTR-SSDOTTSWSA-N 0 3 181.239 0.707 20 0 ACADHN C[C@H](NCC1COC1)c1cn[nH]c1 528025033 352174970 /nfs/dbraw/zinc/17/49/70/352174970.db2.gz GDHLAJZUCZODTR-ZETCQYMHSA-N 0 3 181.239 0.707 20 0 ACADHN Cc1cnccc1CN1CC[C@H](O)C1 528371317 352176128 /nfs/dbraw/zinc/17/61/28/352176128.db2.gz HCRWGEHYDCYIJR-NSHDSACASA-N 0 3 192.262 0.957 20 0 ACADHN Cc1cnccc1CN1CC[C@@H](O)C1 528371316 352176526 /nfs/dbraw/zinc/17/65/26/352176526.db2.gz HCRWGEHYDCYIJR-LLVKDONJSA-N 0 3 192.262 0.957 20 0 ACADHN CCn1nncc1CNCC(C)(C)O 530125015 352185436 /nfs/dbraw/zinc/18/54/36/352185436.db2.gz HGOBWHJLICVUON-UHFFFAOYSA-N 0 3 198.270 0.159 20 0 ACADHN Cc1nnc(C2(C)CNC2)o1 536948761 352189621 /nfs/dbraw/zinc/18/96/21/352189621.db2.gz QESTYZWDOKWBIL-UHFFFAOYSA-N 0 3 153.185 0.239 20 0 ACADHN CCn1[nH]c(=O)c2c1CNC[C@@H]2C 536954357 352191904 /nfs/dbraw/zinc/19/19/04/352191904.db2.gz MQVKAHJMBPJNLB-LURJTMIESA-N 0 3 181.239 0.815 20 0 ACADHN C[C@@H]1CNCc2c1c(=O)[nH]n2C 536954248 352191949 /nfs/dbraw/zinc/19/19/49/352191949.db2.gz MDYVIBOMLSYIRT-RXMQYKEDSA-N 0 3 167.212 0.332 20 0 ACADHN CC(C)c1c(CN)c(=O)[nH]c(=O)n1C 536955047 352192738 /nfs/dbraw/zinc/19/27/38/352192738.db2.gz SRJFSMALIHWFFI-UHFFFAOYSA-N 0 3 197.238 0.068 20 0 ACADHN C[C@@H]1CNC[C@H](CF)O1 536956619 352192984 /nfs/dbraw/zinc/19/29/84/352192984.db2.gz ZUJQAGOVBUTMDF-RITPCOANSA-N 0 3 133.166 0.333 20 0 ACADHN C[C@@H]1CNC[C@@H](CF)O1 536956618 352193159 /nfs/dbraw/zinc/19/31/59/352193159.db2.gz ZUJQAGOVBUTMDF-PHDIDXHHSA-N 0 3 133.166 0.333 20 0 ACADHN C[C@H]1CNC[C@@H](CF)O1 536956615 352193300 /nfs/dbraw/zinc/19/33/00/352193300.db2.gz ZUJQAGOVBUTMDF-NTSWFWBYSA-N 0 3 133.166 0.333 20 0 ACADHN Cn1cc([C@H]2NC[C@@]23CCOC3)cn1 536957861 352194193 /nfs/dbraw/zinc/19/41/93/352194193.db2.gz FCUMPVGPKFDTAW-NXEZZACHSA-N 0 3 193.250 0.471 20 0 ACADHN Cn1cc([C@H]2NC[C@]23CCOC3)cn1 536957876 352194204 /nfs/dbraw/zinc/19/42/04/352194204.db2.gz FCUMPVGPKFDTAW-ZJUUUORDSA-N 0 3 193.250 0.471 20 0 ACADHN Cn1cc([C@@H]2NC[C@]23CCOC3)cn1 536957868 352194240 /nfs/dbraw/zinc/19/42/40/352194240.db2.gz FCUMPVGPKFDTAW-UWVGGRQHSA-N 0 3 193.250 0.471 20 0 ACADHN Cn1cc([C@@H]2NC[C@@]23CCOC3)cn1 536957870 352194285 /nfs/dbraw/zinc/19/42/85/352194285.db2.gz FCUMPVGPKFDTAW-VHSXEESVSA-N 0 3 193.250 0.471 20 0 ACADHN C[C@@H]1COC[C@H]1NCCF 575458036 352234629 /nfs/dbraw/zinc/23/46/29/352234629.db2.gz ZUEKJDJYYLBUCQ-RNFRBKRXSA-N 0 3 147.193 0.580 20 0 ACADHN C[C@@H]1COC[C@@H]1NCCF 575458037 352234662 /nfs/dbraw/zinc/23/46/62/352234662.db2.gz ZUEKJDJYYLBUCQ-RQJHMYQMSA-N 0 3 147.193 0.580 20 0 ACADHN C[C@H]1COC[C@H]1NCCF 575458035 352234705 /nfs/dbraw/zinc/23/47/05/352234705.db2.gz ZUEKJDJYYLBUCQ-NKWVEPMBSA-N 0 3 147.193 0.580 20 0 ACADHN C[C@H]1COC[C@@H]1NCCF 575458034 352235082 /nfs/dbraw/zinc/23/50/82/352235082.db2.gz ZUEKJDJYYLBUCQ-BQBZGAKWSA-N 0 3 147.193 0.580 20 0 ACADHN NC1(C(=O)N2CCC(F)CC2)CC1 575463471 352255088 /nfs/dbraw/zinc/25/50/88/352255088.db2.gz KZRLLMXKVYBWSP-UHFFFAOYSA-N 0 3 186.230 0.438 20 0 ACADHN NC1(C(=O)N[C@@H]2C=CCC2)CC1 575463546 352255214 /nfs/dbraw/zinc/25/52/14/352255214.db2.gz CJUAUQRYWDELTM-SSDOTTSWSA-N 0 3 166.224 0.313 20 0 ACADHN NCC(=O)N1C[C@H]2CCCC[C@H]21 575463458 352255229 /nfs/dbraw/zinc/25/52/29/352255229.db2.gz JEPAFSHITBQZFI-HTQZYQBOSA-N 0 3 168.240 0.346 20 0 ACADHN NC1(C(=O)N[C@H]2C=CCC2)CC1 575463547 352255417 /nfs/dbraw/zinc/25/54/17/352255417.db2.gz CJUAUQRYWDELTM-ZETCQYMHSA-N 0 3 166.224 0.313 20 0 ACADHN CC(=O)Nc1nn(C)c(C)c1CN 575472455 352291090 /nfs/dbraw/zinc/29/10/90/352291090.db2.gz UGXSKODFODVGSW-UHFFFAOYSA-N 0 3 182.227 0.146 20 0 ACADHN NCC(=O)N[C@@]12CCC[C@@H]1C2 575478637 352296593 /nfs/dbraw/zinc/29/65/93/352296593.db2.gz CGJSXROKFWQMIX-HTRCEHHLSA-N 0 3 154.213 0.004 20 0 ACADHN NCC(=O)N[C@]12CCC[C@H]1C2 575478640 352296741 /nfs/dbraw/zinc/29/67/41/352296741.db2.gz CGJSXROKFWQMIX-XPUUQOCRSA-N 0 3 154.213 0.004 20 0 ACADHN C[C@H](N)C(=O)NCC(C)(F)F 575480884 352307490 /nfs/dbraw/zinc/30/74/90/352307490.db2.gz ORSKAIFOORRNMO-BYPYZUCNSA-N 0 3 166.171 0.105 20 0 ACADHN C[C@@H](N)C(=O)NCC(C)(F)F 575480889 352307779 /nfs/dbraw/zinc/30/77/79/352307779.db2.gz ORSKAIFOORRNMO-SCSAIBSYSA-N 0 3 166.171 0.105 20 0 ACADHN C[C@@H](N)C(=O)N[C@]12CCC[C@H]1C2 575481387 352310218 /nfs/dbraw/zinc/31/02/18/352310218.db2.gz RSUQCHXZCOYVDG-FJXKBIBVSA-N 0 3 168.240 0.392 20 0 ACADHN C[C@H](N)C(=O)N[C@]12CCC[C@H]1C2 575481392 352310349 /nfs/dbraw/zinc/31/03/49/352310349.db2.gz RSUQCHXZCOYVDG-ZKWXMUAHSA-N 0 3 168.240 0.392 20 0 ACADHN C[C@H](N)C(=O)N[C@@]12CCC[C@@H]1C2 575481388 352310414 /nfs/dbraw/zinc/31/04/14/352310414.db2.gz RSUQCHXZCOYVDG-LKEWCRSYSA-N 0 3 168.240 0.392 20 0 ACADHN C[C@@H](N)C(=O)N[C@@]12CCC[C@@H]1C2 575481394 352311066 /nfs/dbraw/zinc/31/10/66/352311066.db2.gz RSUQCHXZCOYVDG-ZXFLCMHBSA-N 0 3 168.240 0.392 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 575487328 352342519 /nfs/dbraw/zinc/34/25/19/352342519.db2.gz CCQAAJCKDDFUBX-UYXSQOIJSA-N 0 3 182.267 0.638 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 575487321 352341823 /nfs/dbraw/zinc/34/18/23/352341823.db2.gz CCQAAJCKDDFUBX-LURQLKTLSA-N 0 3 182.267 0.638 20 0 ACADHN CC1CC(CNC(=O)CN)C1 575493025 352370518 /nfs/dbraw/zinc/37/05/18/352370518.db2.gz LUUXTICNTCUHNO-UHFFFAOYSA-N 0 3 156.229 0.107 20 0 ACADHN NC1(C(=O)N2CC[C@@H]3C[C@@H]3C2)CC1 575498961 352398191 /nfs/dbraw/zinc/39/81/91/352398191.db2.gz DDNYCZIPQGIIHF-HTQZYQBOSA-N 0 3 180.251 0.346 20 0 ACADHN NC1(C(=O)N2CC[C@H]3C[C@H]3C2)CC1 575498968 352398277 /nfs/dbraw/zinc/39/82/77/352398277.db2.gz DDNYCZIPQGIIHF-YUMQZZPRSA-N 0 3 180.251 0.346 20 0 ACADHN CC(=O)CN1CC[C@@H]2C[C@@H]2C1 575499187 352398815 /nfs/dbraw/zinc/39/88/15/352398815.db2.gz GZDHOSCRRBJRIU-RKDXNWHRSA-N 0 3 153.225 0.917 20 0 ACADHN CC(=O)CN1CC[C@H]2C[C@H]2C1 575499186 352399085 /nfs/dbraw/zinc/39/90/85/352399085.db2.gz GZDHOSCRRBJRIU-IUCAKERBSA-N 0 3 153.225 0.917 20 0 ACADHN C[C@H](N)C(=O)N1CC[C@H]2C[C@H]2C1 575499221 352399706 /nfs/dbraw/zinc/39/97/06/352399706.db2.gz HIVRPHGOKCBQIB-FXQIFTODSA-N 0 3 168.240 0.202 20 0 ACADHN C[C@@H](N)C(=O)N1CC[C@@H]2C[C@@H]2C1 575499218 352399740 /nfs/dbraw/zinc/39/97/40/352399740.db2.gz HIVRPHGOKCBQIB-BWZBUEFSSA-N 0 3 168.240 0.202 20 0 ACADHN C[C@H](N)C(=O)N1CC[C@@H]2C[C@@H]2C1 575499227 352399966 /nfs/dbraw/zinc/39/99/66/352399966.db2.gz HIVRPHGOKCBQIB-XLPZGREQSA-N 0 3 168.240 0.202 20 0 ACADHN C[C@@H](N)C(=O)N1CC[C@H]2C[C@H]2C1 575499220 352400041 /nfs/dbraw/zinc/40/00/41/352400041.db2.gz HIVRPHGOKCBQIB-CSMHCCOUSA-N 0 3 168.240 0.202 20 0 ACADHN CC(C)(N)C(=O)N1CC[C@@H]2C[C@@H]2C1 575499373 352400610 /nfs/dbraw/zinc/40/06/10/352400610.db2.gz JXYMOUWAEZPNLR-HTQZYQBOSA-N 0 3 182.267 0.592 20 0 ACADHN CC(C)(N)C(=O)N1CC[C@H]2C[C@H]2C1 575499376 352400779 /nfs/dbraw/zinc/40/07/79/352400779.db2.gz JXYMOUWAEZPNLR-YUMQZZPRSA-N 0 3 182.267 0.592 20 0 ACADHN C[C@H](C(N)=O)N1CC[C@@H]2C[C@@H]2C1 575501000 352409616 /nfs/dbraw/zinc/40/96/16/352409616.db2.gz WOVKMSRBZMTGSA-BWZBUEFSSA-N 0 3 168.240 0.202 20 0 ACADHN C[C@H](C(N)=O)N1CC[C@H]2C[C@H]2C1 575501001 352409769 /nfs/dbraw/zinc/40/97/69/352409769.db2.gz WOVKMSRBZMTGSA-CSMHCCOUSA-N 0 3 168.240 0.202 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1C=CCC1 575503142 352420644 /nfs/dbraw/zinc/42/06/44/352420644.db2.gz CYUCEONYZQNBEG-NKWVEPMBSA-N 0 3 154.213 0.168 20 0 ACADHN C[C@H](N)C(=O)N[C@H]1C=CCC1 575503141 352420912 /nfs/dbraw/zinc/42/09/12/352420912.db2.gz CYUCEONYZQNBEG-BQBZGAKWSA-N 0 3 154.213 0.168 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1C=CCC1 575503143 352420962 /nfs/dbraw/zinc/42/09/62/352420962.db2.gz CYUCEONYZQNBEG-RNFRBKRXSA-N 0 3 154.213 0.168 20 0 ACADHN C[C@@H](N)C(=O)N[C@H]1C=CCC1 575503144 352421029 /nfs/dbraw/zinc/42/10/29/352421029.db2.gz CYUCEONYZQNBEG-RQJHMYQMSA-N 0 3 154.213 0.168 20 0 ACADHN NC1(C(=O)N[C@H]2C=CCC2)CCC1 575503499 352422907 /nfs/dbraw/zinc/42/29/07/352422907.db2.gz RWOYUFVXVIUSRF-QMMMGPOBSA-N 0 3 180.251 0.703 20 0 ACADHN NC1(C(=O)N[C@@H]2C=CCC2)CCC1 575503498 352422926 /nfs/dbraw/zinc/42/29/26/352422926.db2.gz RWOYUFVXVIUSRF-MRVPVSSYSA-N 0 3 180.251 0.703 20 0 ACADHN CNCC(=O)N[C@@H]1C=CCC1 575503733 352424375 /nfs/dbraw/zinc/42/43/75/352424375.db2.gz ZGVOMIVMMOYRDX-SSDOTTSWSA-N 0 3 154.213 0.041 20 0 ACADHN CNCC(=O)N[C@H]1C=CCC1 575503734 352424585 /nfs/dbraw/zinc/42/45/85/352424585.db2.gz ZGVOMIVMMOYRDX-ZETCQYMHSA-N 0 3 154.213 0.041 20 0 ACADHN CC(C)(N)C(=O)N[C@@H]1C=CCC1 575503735 352424595 /nfs/dbraw/zinc/42/45/95/352424595.db2.gz ZHDAYVUGPSQALX-SSDOTTSWSA-N 0 3 168.240 0.559 20 0 ACADHN CC(C)(N)C(=O)N[C@H]1C=CCC1 575503736 352424758 /nfs/dbraw/zinc/42/47/58/352424758.db2.gz ZHDAYVUGPSQALX-ZETCQYMHSA-N 0 3 168.240 0.559 20 0 ACADHN CC1C[C@@H]2CC[C@H](C1)N2C(=O)CN 575504206 352425787 /nfs/dbraw/zinc/42/57/87/352425787.db2.gz FPAXLDCHCYZGAU-CBLAIPOGSA-N 0 3 182.267 0.735 20 0 ACADHN CC1C[C@@H]2CC[C@H](C1)N2CC(N)=O 575504261 352425827 /nfs/dbraw/zinc/42/58/27/352425827.db2.gz GFFRUVQELSBTLU-CBLAIPOGSA-N 0 3 182.267 0.735 20 0 ACADHN C[C@@H](N)C(=O)N[C@]1(C)CC1(C)C 575512763 352474455 /nfs/dbraw/zinc/47/44/55/352474455.db2.gz VYKHKVUYLBFVET-HZGVNTEJSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@H](N)C(=O)N[C@]1(C)CC1(C)C 575512764 352474534 /nfs/dbraw/zinc/47/45/34/352474534.db2.gz VYKHKVUYLBFVET-IMTBSYHQSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@H](N)C(=O)N[C@@]1(C)CC1(C)C 575512828 352474613 /nfs/dbraw/zinc/47/46/13/352474613.db2.gz VYKHKVUYLBFVET-RCOVLWMOSA-N 0 3 170.256 0.638 20 0 ACADHN C[C@@H](N)C(=O)N[C@@]1(C)CC1(C)C 575512765 352474635 /nfs/dbraw/zinc/47/46/35/352474635.db2.gz VYKHKVUYLBFVET-MUWHJKNJSA-N 0 3 170.256 0.638 20 0 ACADHN CC(C)(N)C(=O)N1CCC(F)CC1 575515765 352490761 /nfs/dbraw/zinc/49/07/61/352490761.db2.gz UCBUGSCISBWTLU-UHFFFAOYSA-N 0 3 188.246 0.684 20 0 ACADHN C[C@@H](N)C(=O)NC1CC2(CCC2)C1 575526146 352538635 /nfs/dbraw/zinc/53/86/35/352538635.db2.gz PHILBSPIAPPXBO-SSDOTTSWSA-N 0 3 182.267 0.783 20 0 ACADHN C[C@H](N)C(=O)NC1CC2(CCC2)C1 575526148 352538812 /nfs/dbraw/zinc/53/88/12/352538812.db2.gz PHILBSPIAPPXBO-ZETCQYMHSA-N 0 3 182.267 0.783 20 0 ACADHN NCC(=O)NC1CC2(CCC2)C1 575526443 352539550 /nfs/dbraw/zinc/53/95/50/352539550.db2.gz RVCCGFQWFAGJGF-UHFFFAOYSA-N 0 3 168.240 0.394 20 0 ACADHN NCC(=O)NCC1=CCCC1 575537348 352589712 /nfs/dbraw/zinc/58/97/12/352589712.db2.gz HASDZWHJDBVYFD-UHFFFAOYSA-N 0 3 154.213 0.172 20 0 ACADHN CC1(C)C[C@]1(C)NC(=O)CN 575537623 352590902 /nfs/dbraw/zinc/59/09/02/352590902.db2.gz KISGVRHKSIENDT-QMMMGPOBSA-N 0 3 156.229 0.250 20 0 ACADHN CC1(C)C[C@@]1(C)NC(=O)CN 575537622 352591102 /nfs/dbraw/zinc/59/11/02/352591102.db2.gz KISGVRHKSIENDT-MRVPVSSYSA-N 0 3 156.229 0.250 20 0 ACADHN CNC(=O)N1CCN[C@@H](C(C)C)C1 575545893 352623593 /nfs/dbraw/zinc/62/35/93/352623593.db2.gz OGCOIVKBNIGKFF-MRVPVSSYSA-N 0 3 185.271 0.256 20 0 ACADHN CNC(=O)N1CCN[C@H](C(C)C)C1 575545894 352623703 /nfs/dbraw/zinc/62/37/03/352623703.db2.gz OGCOIVKBNIGKFF-QMMMGPOBSA-N 0 3 185.271 0.256 20 0 ACADHN C[C@@H]1CC(F)(F)CCN1C(=O)CN 575547207 352627438 /nfs/dbraw/zinc/62/74/38/352627438.db2.gz YHWWNGPKUADETC-ZCFIWIBFSA-N 0 3 192.209 0.591 20 0 ACADHN C[C@H]1CC(F)(F)CCN1C(=O)CN 575547205 352627652 /nfs/dbraw/zinc/62/76/52/352627652.db2.gz YHWWNGPKUADETC-LURJTMIESA-N 0 3 192.209 0.591 20 0 ACADHN C[C@]12CCCC[C@H]1CN2C(=O)CN 575567860 352713724 /nfs/dbraw/zinc/71/37/24/352713724.db2.gz ZNZYVRUZNXWBKS-WPRPVWTQSA-N 0 3 182.267 0.736 20 0 ACADHN C[C@H](C(=O)[O-])N1CCC(C)([NH3+])CC1 575567969 352714453 /nfs/dbraw/zinc/71/44/53/352714453.db2.gz LWTDEQIMJGKTTL-SSDOTTSWSA-N 0 3 186.255 0.273 20 0 ACADHN C[C@@H](C(=O)[O-])N1CCC(C)([NH3+])CC1 575567975 352714613 /nfs/dbraw/zinc/71/46/13/352714613.db2.gz LWTDEQIMJGKTTL-ZETCQYMHSA-N 0 3 186.255 0.273 20 0 ACADHN C[C@@H]1CC[C@@H](N[C@@H]2CNOC2)C1 575568654 352717784 /nfs/dbraw/zinc/71/77/84/352717784.db2.gz FZNLVSZFVOMEHM-IWSPIJDZSA-N 0 3 170.256 0.668 20 0 ACADHN C[C@@H]1CC[C@@H](N[C@H]2CNOC2)C1 575568652 352717743 /nfs/dbraw/zinc/71/77/43/352717743.db2.gz FZNLVSZFVOMEHM-HLTSFMKQSA-N 0 3 170.256 0.668 20 0 ACADHN C[C@@H]1CC[C@H](N[C@H]2CNOC2)C1 575568655 352717765 /nfs/dbraw/zinc/71/77/65/352717765.db2.gz FZNLVSZFVOMEHM-VGMNWLOBSA-N 0 3 170.256 0.668 20 0 ACADHN C[C@@H]1CC[C@H](N[C@@H]2CNOC2)C1 575568653 352717799 /nfs/dbraw/zinc/71/77/99/352717799.db2.gz FZNLVSZFVOMEHM-HRDYMLBCSA-N 0 3 170.256 0.668 20 0 ACADHN CC1(C)CC(N[C@H]2CNOC2)C1 575574919 352748603 /nfs/dbraw/zinc/74/86/03/352748603.db2.gz CJLDCCKFHWCONS-QMMMGPOBSA-N 0 3 170.256 0.668 20 0 ACADHN C[C@@H]1CC(NC(=O)CN)C[C@@H](C)O1 575579837 352773596 /nfs/dbraw/zinc/77/35/96/352773596.db2.gz OLGCUCLITRCXPJ-RNFRBKRXSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H]1C[C@H](NC(=O)CN)C[C@@H](C)O1 575579838 352773794 /nfs/dbraw/zinc/77/37/94/352773794.db2.gz OLGCUCLITRCXPJ-RNLVFQAGSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H]1CC(NC(=O)CN)C[C@H](C)O1 575579836 352773947 /nfs/dbraw/zinc/77/39/47/352773947.db2.gz OLGCUCLITRCXPJ-BQBZGAKWSA-N 0 3 186.255 0.017 20 0 ACADHN NCC(=O)N1CCCC(F)(F)CC1 575584006 352795527 /nfs/dbraw/zinc/79/55/27/352795527.db2.gz QWQYDNWZKGEMIJ-UHFFFAOYSA-N 0 3 192.209 0.593 20 0 ACADHN C[C@H](N)C(=O)N1C[C@H]2CCCC[C@H]21 575587983 352814896 /nfs/dbraw/zinc/81/48/96/352814896.db2.gz KULHJJGEMZBDKX-DJLDLDEBSA-N 0 3 182.267 0.735 20 0 ACADHN C[C@@H](N)C(=O)N1C[C@H]2CCCC[C@H]21 575587987 352814902 /nfs/dbraw/zinc/81/49/02/352814902.db2.gz KULHJJGEMZBDKX-IWSPIJDZSA-N 0 3 182.267 0.735 20 0 ACADHN CCC(=O)N[C@H]1CCN(CC2CC2)C1 594647834 352919913 /nfs/dbraw/zinc/91/99/13/352919913.db2.gz LHJZCYWSVHOTFA-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN CCC(=O)N[C@@H]1CCN(CC2CC2)C1 594647838 352920031 /nfs/dbraw/zinc/92/00/31/352920031.db2.gz LHJZCYWSVHOTFA-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN O[C@H]1CCCN(CCOCC2CC2)C1 607725126 352926244 /nfs/dbraw/zinc/92/62/44/352926244.db2.gz BXDOCGMGMIHBOZ-NSHDSACASA-N 0 3 199.294 0.870 20 0 ACADHN O[C@@H]1CCCN(CCOCC2CC2)C1 607725125 352926532 /nfs/dbraw/zinc/92/65/32/352926532.db2.gz BXDOCGMGMIHBOZ-LLVKDONJSA-N 0 3 199.294 0.870 20 0 ACADHN CCN(CCO)CCOCC1CC1 607726525 352926613 /nfs/dbraw/zinc/92/66/13/352926613.db2.gz KZALDFPPUFYMJO-UHFFFAOYSA-N 0 3 187.283 0.727 20 0 ACADHN OC1CCN(CCOCC2CC2)CC1 607725429 352926707 /nfs/dbraw/zinc/92/67/07/352926707.db2.gz MHYWSHCHCDICDC-UHFFFAOYSA-N 0 3 199.294 0.870 20 0 ACADHN C[C@@H]1C[C@@H]1C(=O)NCCN1CCCC1 642978836 352933815 /nfs/dbraw/zinc/93/38/15/352933815.db2.gz WMBQNCICTQLWOB-ZJUUUORDSA-N 0 3 196.294 0.854 20 0 ACADHN CCOCCN(CC)CCOC 619888251 352933213 /nfs/dbraw/zinc/93/32/13/352933213.db2.gz PAXMBTXILXTLBP-UHFFFAOYSA-N 0 3 175.272 0.991 20 0 ACADHN O=C(NCCN1CCCC1)C1CCC1 642978816 352933908 /nfs/dbraw/zinc/93/39/08/352933908.db2.gz IIXSBKNIFBZECG-UHFFFAOYSA-N 0 3 196.294 0.999 20 0 ACADHN C[C@H]1C[C@@H]1C(=O)NCCN1CCCC1 642978834 352933948 /nfs/dbraw/zinc/93/39/48/352933948.db2.gz WMBQNCICTQLWOB-UWVGGRQHSA-N 0 3 196.294 0.854 20 0 ACADHN C[C@@H]1C[C@H]1C(=O)NCCN1CCCC1 642978833 352934002 /nfs/dbraw/zinc/93/40/02/352934002.db2.gz WMBQNCICTQLWOB-NXEZZACHSA-N 0 3 196.294 0.854 20 0 ACADHN C[C@H]1C[C@H]1C(=O)NCCN1CCCC1 642978835 352934046 /nfs/dbraw/zinc/93/40/46/352934046.db2.gz WMBQNCICTQLWOB-VHSXEESVSA-N 0 3 196.294 0.854 20 0 ACADHN C[C@H](CNC(=O)c1ccn[nH]1)N(C)C 643159454 352939018 /nfs/dbraw/zinc/93/90/18/352939018.db2.gz SOEFUKGCWHUXSA-SSDOTTSWSA-N 0 3 196.254 0.090 20 0 ACADHN C[C@@H](CNC(=O)c1ccn[nH]1)N(C)C 643159455 352939307 /nfs/dbraw/zinc/93/93/07/352939307.db2.gz SOEFUKGCWHUXSA-ZETCQYMHSA-N 0 3 196.254 0.090 20 0 ACADHN CC(=O)N[C@H]1CCN(CC2(C)CC2)C1 643295053 352943978 /nfs/dbraw/zinc/94/39/78/352943978.db2.gz UDDVHDVJTFDJTQ-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN CC(=O)N[C@@H]1CCN(CC2(C)CC2)C1 643295054 352944123 /nfs/dbraw/zinc/94/41/23/352944123.db2.gz UDDVHDVJTFDJTQ-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CN(C)CCNC(=O)[C@]12CCC[C@H]1C2 643330504 352946712 /nfs/dbraw/zinc/94/67/12/352946712.db2.gz GEADCWDVGSBPMT-ONGXEEELSA-N 0 3 196.294 0.854 20 0 ACADHN CN(C)CCNC(=O)[C@@]12CCC[C@@H]1C2 643330503 352946947 /nfs/dbraw/zinc/94/69/47/352946947.db2.gz GEADCWDVGSBPMT-MWLCHTKSSA-N 0 3 196.294 0.854 20 0 ACADHN Cc1n[nH]c(C)c1CN(C)C[C@@H](C)O 643356107 352949442 /nfs/dbraw/zinc/94/94/42/352949442.db2.gz PDFOHYQFPNMVOL-SSDOTTSWSA-N 0 3 197.282 0.839 20 0 ACADHN OCCCN1CC[C@H](n2cccn2)C1 643396205 352949922 /nfs/dbraw/zinc/94/99/22/352949922.db2.gz ZCPHVULKLOWZSE-JTQLQIEISA-N 0 3 195.266 0.512 20 0 ACADHN CC[C@@H](O)CNCC1(F)CC1 643369482 352950096 /nfs/dbraw/zinc/95/00/96/352950096.db2.gz VIQCFXHHKRNUAA-SSDOTTSWSA-N 0 3 161.220 0.849 20 0 ACADHN OCCCN1CC[C@@H](n2cccn2)C1 643396206 352950105 /nfs/dbraw/zinc/95/01/05/352950105.db2.gz ZCPHVULKLOWZSE-SNVBAGLBSA-N 0 3 195.266 0.512 20 0 ACADHN COCCN1CC[C@@H](n2cccn2)C1 643396164 352950267 /nfs/dbraw/zinc/95/02/67/352950267.db2.gz NHNUVTXRTMLNEE-SNVBAGLBSA-N 0 3 195.266 0.776 20 0 ACADHN COCCN1CC[C@H](n2cccn2)C1 643396163 352950338 /nfs/dbraw/zinc/95/03/38/352950338.db2.gz NHNUVTXRTMLNEE-JTQLQIEISA-N 0 3 195.266 0.776 20 0 ACADHN COCC(C)(C)NCC(C)=O 17454963 371624467 /nfs/dbraw/zinc/62/44/67/371624467.db2.gz OFSDOKWHPUZBSY-UHFFFAOYSA-N 0 3 159.229 0.590 20 0 ACADHN CC(C)N(C)C(=O)[C@H](C)N 19436603 371626535 /nfs/dbraw/zinc/62/65/35/371626535.db2.gz JCIVVBJIMHLVGP-LURJTMIESA-N 0 3 144.218 0.200 20 0 ACADHN CC(C)N(C)C(=O)[C@@H](C)N 19436601 371626547 /nfs/dbraw/zinc/62/65/47/371626547.db2.gz JCIVVBJIMHLVGP-ZCFIWIBFSA-N 0 3 144.218 0.200 20 0 ACADHN CCC(C)(C)NC(=O)[C@H](C)N 19442467 371626805 /nfs/dbraw/zinc/62/68/05/371626805.db2.gz MIOXCQPXMXBUET-LURJTMIESA-N 0 3 158.245 0.638 20 0 ACADHN CCC(CC)NC(=O)[C@H](C)N 19430664 371626862 /nfs/dbraw/zinc/62/68/62/371626862.db2.gz YDHQFSNHQIBAHX-LURJTMIESA-N 0 3 158.245 0.638 20 0 ACADHN NCC(=O)N(C1CC1)C1CC1 19458245 371627154 /nfs/dbraw/zinc/62/71/54/371627154.db2.gz RGFJTISANQYLRI-UHFFFAOYSA-N 0 3 154.213 0.099 20 0 ACADHN CC(C)[C@@H](N)C(=O)N(C)C(C)C 19516013 371627208 /nfs/dbraw/zinc/62/72/08/371627208.db2.gz LPSDDEXWXPDZNO-MRVPVSSYSA-N 0 3 172.272 0.837 20 0 ACADHN CCC(C)(C)NC(=O)[C@@H](C)N 19442465 371627251 /nfs/dbraw/zinc/62/72/51/371627251.db2.gz MIOXCQPXMXBUET-ZCFIWIBFSA-N 0 3 158.245 0.638 20 0 ACADHN CNCC(=O)NCc1ccc(F)cc1 19518726 371629409 /nfs/dbraw/zinc/62/94/09/371629409.db2.gz FSYOSNWLVRFBLW-UHFFFAOYSA-N 0 3 196.225 0.661 20 0 ACADHN C[C@H]1CCCC[C@H]1NC(=O)CN 19518652 371628614 /nfs/dbraw/zinc/62/86/14/371628614.db2.gz WUVBOXNXHOSMEK-JGVFFNPUSA-N 0 3 170.256 0.640 20 0 ACADHN CCC(C)(C)NC(=O)CN 19518955 371628722 /nfs/dbraw/zinc/62/87/22/371628722.db2.gz QGFZPDRFMJUGRP-UHFFFAOYSA-N 0 3 144.218 0.250 20 0 ACADHN CC(C)CCNC(=O)C(C)(C)N 19672498 371628844 /nfs/dbraw/zinc/62/88/44/371628844.db2.gz SQYOFECFTODFMV-UHFFFAOYSA-N 0 3 172.272 0.886 20 0 ACADHN C[C@@H]1CN(CCO)CCCO1 61920646 371641111 /nfs/dbraw/zinc/64/11/11/371641111.db2.gz VHLKXYJUJQHWMB-MRVPVSSYSA-N 0 3 159.229 0.090 20 0 ACADHN CC(C)CN1CCCC[C@H]1C(N)=O 146630931 371664123 /nfs/dbraw/zinc/66/41/23/371664123.db2.gz GBJOCHZMMXHBIC-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN CC(C)CN1CCCC[C@@H]1C(N)=O 146630748 371664410 /nfs/dbraw/zinc/66/44/10/371664410.db2.gz GBJOCHZMMXHBIC-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN CC(=O)CN(C)CC1(N(C)C)CCC1 165183169 371676923 /nfs/dbraw/zinc/67/69/23/371676923.db2.gz MLJWBWRRZIHPAL-UHFFFAOYSA-N 0 3 198.310 0.992 20 0 ACADHN COC[C@H](C)N1CCN(C)CC1 196959219 371696447 /nfs/dbraw/zinc/69/64/47/371696447.db2.gz MJZJKTRLTQWTEX-VIFPVBQESA-N 0 3 172.272 0.269 20 0 ACADHN COC[C@@H](C)N1CCN(C)CC1 196959230 371696464 /nfs/dbraw/zinc/69/64/64/371696464.db2.gz MJZJKTRLTQWTEX-SECBINFHSA-N 0 3 172.272 0.269 20 0 ACADHN c1cn(CCN2CCSCC2)cn1 199373869 371699274 /nfs/dbraw/zinc/69/92/74/371699274.db2.gz XQRYJHDIDHFXBB-UHFFFAOYSA-N 0 3 197.307 0.932 20 0 ACADHN CCCN1CCCN(C(C)=O)CC1 202105872 371703352 /nfs/dbraw/zinc/70/33/52/371703352.db2.gz OQUGHOASVXJEFH-UHFFFAOYSA-N 0 3 184.283 0.951 20 0 ACADHN CC(=O)N1CCN(CC2CCC2)CC1 203207658 371704122 /nfs/dbraw/zinc/70/41/22/371704122.db2.gz DNODXSUYUQUUMS-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN O[C@H]1CCCN(C[C@H]2CCCO2)C1 227370946 371719602 /nfs/dbraw/zinc/71/96/02/371719602.db2.gz RDMCZGBCIGOIJF-VHSXEESVSA-N 0 3 185.267 0.622 20 0 ACADHN O[C@H]1CCCN([C@H]2CCOC2)C1 227370567 371719619 /nfs/dbraw/zinc/71/96/19/371719619.db2.gz QXLWTMCLCLCLSW-IUCAKERBSA-N 0 3 171.240 0.232 20 0 ACADHN CN(C[C@@H]1CCCO1)[C@@H]1CCOC1 307140780 371774159 /nfs/dbraw/zinc/77/41/59/371774159.db2.gz JDYNAWZTMYPZNQ-ZJUUUORDSA-N 0 3 185.267 0.886 20 0 ACADHN CCCN1CCC[C@H](NC(C)=O)C1 238216140 371725750 /nfs/dbraw/zinc/72/57/50/371725750.db2.gz YXCZCTFJZSZGOI-JTQLQIEISA-N 0 3 184.283 0.997 20 0 ACADHN CCCN1CCC[C@@H](NC(C)=O)C1 238215784 371725995 /nfs/dbraw/zinc/72/59/95/371725995.db2.gz YXCZCTFJZSZGOI-SNVBAGLBSA-N 0 3 184.283 0.997 20 0 ACADHN C[C@@H]1CCCCN(CC(N)=O)C1 306263611 371747594 /nfs/dbraw/zinc/74/75/94/371747594.db2.gz YYIMNGWECCPTAC-MRVPVSSYSA-N 0 3 170.256 0.594 20 0 ACADHN c1cnc2nc(CNC3CC3)cn2c1 306519984 371759813 /nfs/dbraw/zinc/75/98/13/371759813.db2.gz JUMKJQOBJZVVGQ-UHFFFAOYSA-N 0 3 188.234 0.981 20 0 ACADHN CN(C[C@@H]1CCCO1)[C@H]1CCOC1 307140774 371774040 /nfs/dbraw/zinc/77/40/40/371774040.db2.gz JDYNAWZTMYPZNQ-UWVGGRQHSA-N 0 3 185.267 0.886 20 0 ACADHN O=C([C@H]1CCCCN1)N1C[C@H]2C[C@H]2C1 307549615 371783187 /nfs/dbraw/zinc/78/31/87/371783187.db2.gz QAANJOMQSGJLOM-KXUCPTDWSA-N 0 3 194.278 0.607 20 0 ACADHN COC[C@H](O)CNCc1ccoc1C 321295611 371790639 /nfs/dbraw/zinc/79/06/39/371790639.db2.gz UYFOLOZTQWDQSL-SNVBAGLBSA-N 0 3 199.250 0.685 20 0 ACADHN COC[C@@H](O)CNCc1ccoc1C 321295609 371790756 /nfs/dbraw/zinc/79/07/56/371790756.db2.gz UYFOLOZTQWDQSL-JTQLQIEISA-N 0 3 199.250 0.685 20 0 ACADHN Cc1occc1CNCCC(N)=O 321253104 371791076 /nfs/dbraw/zinc/79/10/76/371791076.db2.gz OVLUTHQOZFFIIV-UHFFFAOYSA-N 0 3 182.223 0.553 20 0 ACADHN CC[C@@](C)(CN[C@H](C)C(N)=O)OC 322622818 371792589 /nfs/dbraw/zinc/79/25/89/371792589.db2.gz OCPIYUUEFDYUSL-APPZFPTMSA-N 0 3 188.271 0.265 20 0 ACADHN CC[C@](C)(CN[C@H](C)C(N)=O)OC 322622821 371792863 /nfs/dbraw/zinc/79/28/63/371792863.db2.gz OCPIYUUEFDYUSL-VXNVDRBHSA-N 0 3 188.271 0.265 20 0 ACADHN CC(C)N(C)CC(=O)NC1CCC1 379391193 371809509 /nfs/dbraw/zinc/80/95/09/371809509.db2.gz PCNKYLCNPUBKPW-UHFFFAOYSA-N 0 3 184.283 0.995 20 0 ACADHN Cc1ncc(CNCC2(O)CCC2)o1 644667992 371896058 /nfs/dbraw/zinc/89/60/58/371896058.db2.gz MITPEVQWYWTHPL-UHFFFAOYSA-N 0 3 196.250 0.988 20 0 ACADHN C[C@@H](O)CNC1CC(F)(F)C1 575564749 371829734 /nfs/dbraw/zinc/82/97/34/371829734.db2.gz ZXRKKULVJQDIJI-RXMQYKEDSA-N 0 3 165.183 0.755 20 0 ACADHN C[C@H](O)CNC1CC(F)(F)C1 575564750 371829812 /nfs/dbraw/zinc/82/98/12/371829812.db2.gz ZXRKKULVJQDIJI-YFKPBYRVSA-N 0 3 165.183 0.755 20 0 ACADHN Cc1cc(C2(N)CCOCC2)on1 583650851 371834900 /nfs/dbraw/zinc/83/49/00/371834900.db2.gz BQERWOVGPAOPGX-UHFFFAOYSA-N 0 3 182.223 0.947 20 0 ACADHN COCCn1ncc2c1CCNC2 616582164 371870239 /nfs/dbraw/zinc/87/02/39/371870239.db2.gz GQUXEPBUPCLZTC-UHFFFAOYSA-N 0 3 181.239 0.175 20 0 ACADHN CO[C@@H](C)[C@H](C)NC(=O)C1(N)CC1 644160787 371876396 /nfs/dbraw/zinc/87/63/96/371876396.db2.gz NMTCFKBWJRYQSY-BQBZGAKWSA-N 0 3 186.255 0.017 20 0 ACADHN CO[C@H](C)[C@H](C)NC(=O)C1(N)CC1 644160788 371876797 /nfs/dbraw/zinc/87/67/97/371876797.db2.gz NMTCFKBWJRYQSY-NKWVEPMBSA-N 0 3 186.255 0.017 20 0 ACADHN CC1(CCNC(=O)C2(N)CC2)CC1 644149847 371876848 /nfs/dbraw/zinc/87/68/48/371876848.db2.gz AAXKJJARQWDDPR-UHFFFAOYSA-N 0 3 182.267 0.784 20 0 ACADHN Cc1[nH]cnc1CC(=O)N[C@@H](C)CF 644361157 371882797 /nfs/dbraw/zinc/88/27/97/371882797.db2.gz LFMQHLKENUOYOR-LURJTMIESA-N 0 3 199.229 0.735 20 0 ACADHN Cc1[nH]cnc1CC(=O)N[C@H](C)CF 644361158 371882937 /nfs/dbraw/zinc/88/29/37/371882937.db2.gz LFMQHLKENUOYOR-ZCFIWIBFSA-N 0 3 199.229 0.735 20 0 ACADHN CC[C@@H](O)CNCc1cc(C)[nH]n1 644565141 371885848 /nfs/dbraw/zinc/88/58/48/371885848.db2.gz HKGQXJPRTPEYJL-SECBINFHSA-N 0 3 183.255 0.579 20 0 ACADHN CC[C@@H](O)CNCc1cc(C)n[nH]1 644565141 371885850 /nfs/dbraw/zinc/88/58/50/371885850.db2.gz HKGQXJPRTPEYJL-SECBINFHSA-N 0 3 183.255 0.579 20 0 ACADHN C[C@@H](O)CNCc1ccc(F)cn1 644599522 371886722 /nfs/dbraw/zinc/88/67/22/371886722.db2.gz AMLHWEUUTWQRBL-SSDOTTSWSA-N 0 3 184.214 0.691 20 0 ACADHN C[C@H](O)CNCc1ccc(F)cn1 644599523 371886828 /nfs/dbraw/zinc/88/68/28/371886828.db2.gz AMLHWEUUTWQRBL-ZETCQYMHSA-N 0 3 184.214 0.691 20 0 ACADHN C[C@H](O)CN[C@@H]1CCCc2c[nH]nc21 644599603 371888157 /nfs/dbraw/zinc/88/81/57/371888157.db2.gz GQGNRNKALRGRIY-IONNQARKSA-N 0 3 195.266 0.758 20 0 ACADHN C[C@@H](O)CN[C@H]1CCCc2c[nH]nc21 644599599 371888102 /nfs/dbraw/zinc/88/81/02/371888102.db2.gz GQGNRNKALRGRIY-APPZFPTMSA-N 0 3 195.266 0.758 20 0 ACADHN CC[C@@H](O)CNCc1cc(C)ncn1 644608601 371888626 /nfs/dbraw/zinc/88/86/26/371888626.db2.gz BKTPXAHIXAEHTC-SNVBAGLBSA-N 0 3 195.266 0.646 20 0 ACADHN C[C@@H](O)CN[C@@H]1CCCc2c[nH]nc21 644599605 371888651 /nfs/dbraw/zinc/88/86/51/371888651.db2.gz GQGNRNKALRGRIY-VXNVDRBHSA-N 0 3 195.266 0.758 20 0 ACADHN COC[C@H](O)CNC1CC(F)(F)C1 644632469 371889690 /nfs/dbraw/zinc/88/96/90/371889690.db2.gz MBTQZGTXXKPDPC-SSDOTTSWSA-N 0 3 195.209 0.381 20 0 ACADHN CC[C@H](O)CNCc1cc(C)ncn1 644608600 371888671 /nfs/dbraw/zinc/88/86/71/371888671.db2.gz BKTPXAHIXAEHTC-JTQLQIEISA-N 0 3 195.266 0.646 20 0 ACADHN C[C@H](O)CN[C@H]1CCCc2c[nH]nc21 644599602 371888850 /nfs/dbraw/zinc/88/88/50/371888850.db2.gz GQGNRNKALRGRIY-CBAPKCEASA-N 0 3 195.266 0.758 20 0 ACADHN COc1ccc(CNC[C@H](C)O)nc1 644632876 371889886 /nfs/dbraw/zinc/88/98/86/371889886.db2.gz GYFAYIYJGAXISJ-QMMMGPOBSA-N 0 3 196.250 0.561 20 0 ACADHN COc1ccc(CNC[C@@H](C)O)nc1 644632875 371889894 /nfs/dbraw/zinc/88/98/94/371889894.db2.gz GYFAYIYJGAXISJ-MRVPVSSYSA-N 0 3 196.250 0.561 20 0 ACADHN OC1(CNCc2cccnn2)CCC1 644633300 371889937 /nfs/dbraw/zinc/88/99/37/371889937.db2.gz QFPMHGKWVKBJBD-UHFFFAOYSA-N 0 3 193.250 0.481 20 0 ACADHN NC(=O)CCNC1CC(F)(F)C1 644632269 371889975 /nfs/dbraw/zinc/88/99/75/371889975.db2.gz JQTKUBIBCSVKCC-UHFFFAOYSA-N 0 3 178.182 0.249 20 0 ACADHN COC[C@@H](O)CNC1CC(F)(F)C1 644632470 371890002 /nfs/dbraw/zinc/89/00/02/371890002.db2.gz MBTQZGTXXKPDPC-ZETCQYMHSA-N 0 3 195.209 0.381 20 0 ACADHN C[C@H](O)CNCc1n[nH]c(C2CC2)n1 644657652 371894267 /nfs/dbraw/zinc/89/42/67/371894267.db2.gz FGDAGHMGVRYJCQ-LURJTMIESA-N 0 3 196.254 0.153 20 0 ACADHN C[C@@H](O)CNCc1n[nH]c(C2CC2)n1 644657653 371895330 /nfs/dbraw/zinc/89/53/30/371895330.db2.gz FGDAGHMGVRYJCQ-ZCFIWIBFSA-N 0 3 196.254 0.153 20 0 ACADHN NC(=O)CCN[C@@H]1CCCC[C@H]1F 644672175 371897487 /nfs/dbraw/zinc/89/74/87/371897487.db2.gz LSGSKCKQOCIQCH-HTQZYQBOSA-N 0 3 188.246 0.732 20 0 ACADHN NC(=O)CCN[C@@H]1C[C@H]1c1ccco1 644673495 371897949 /nfs/dbraw/zinc/89/79/49/371897949.db2.gz ZYVXJPHHEXALBC-HTQZYQBOSA-N 0 3 194.234 0.601 20 0 ACADHN CCN(Cc1cnn(C)c1)[C@H](C)CO 644705957 371901089 /nfs/dbraw/zinc/90/10/89/371901089.db2.gz SRMMZUNBOSEQFC-SECBINFHSA-N 0 3 197.282 0.623 20 0 ACADHN CC(C)OCCN1C[C@@H]2[C@@H](CO)[C@@H]2C1 644714149 371901515 /nfs/dbraw/zinc/90/15/15/371901515.db2.gz DEDSUVBAMRBBHG-URLYPYJESA-N 0 3 199.294 0.582 20 0 ACADHN CNC(=O)CN1CCC(C2CC2)CC1 644718113 371902492 /nfs/dbraw/zinc/90/24/92/371902492.db2.gz DZXWTYJCKJSJRH-UHFFFAOYSA-N 0 3 196.294 0.854 20 0 ACADHN C[C@H](C(N)=O)N1CCC(C2CC2)CC1 644719463 371902522 /nfs/dbraw/zinc/90/25/22/371902522.db2.gz WMKGLPWVNNYVCK-MRVPVSSYSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@@H](C(N)=O)N1CCC(C2CC2)CC1 644719468 371902989 /nfs/dbraw/zinc/90/29/89/371902989.db2.gz WMKGLPWVNNYVCK-QMMMGPOBSA-N 0 3 196.294 0.982 20 0 ACADHN CCN(Cc1c[nH]nc1C)[C@H](C)CO 644835229 371918349 /nfs/dbraw/zinc/91/83/49/371918349.db2.gz BXMGEHDHXFDAFO-MRVPVSSYSA-N 0 3 197.282 0.921 20 0 ACADHN CN(C)CCNC(=O)[C@H]1C[C@@H]1C1CC1 644849797 371922985 /nfs/dbraw/zinc/92/29/85/371922985.db2.gz XALZVTFZKTUGMD-ZJUUUORDSA-N 0 3 196.294 0.710 20 0 ACADHN COCCN(C)C[C@@H](OC)C1CC1 644919976 371928471 /nfs/dbraw/zinc/92/84/71/371928471.db2.gz HOCXIRZZBPLSRU-SNVBAGLBSA-N 0 3 187.283 0.990 20 0 ACADHN COCCN(C)C[C@H](OC)C1CC1 644919975 371929354 /nfs/dbraw/zinc/92/93/54/371929354.db2.gz HOCXIRZZBPLSRU-JTQLQIEISA-N 0 3 187.283 0.990 20 0 ACADHN C[C@H](O)CCN1CCc2cn[nH]c2C1 644927910 371930675 /nfs/dbraw/zinc/93/06/75/371930675.db2.gz NBDAEUBGIGEYOR-QMMMGPOBSA-N 0 3 195.266 0.539 20 0 ACADHN CO[C@H](CNC1(C(N)=O)CC1)C1CC1 644928876 371930808 /nfs/dbraw/zinc/93/08/08/371930808.db2.gz UWPDWVCLCYOBTR-MRVPVSSYSA-N 0 3 198.266 0.019 20 0 ACADHN C[C@@H](O)CCN1CCc2cn[nH]c2C1 644927905 371930827 /nfs/dbraw/zinc/93/08/27/371930827.db2.gz NBDAEUBGIGEYOR-MRVPVSSYSA-N 0 3 195.266 0.539 20 0 ACADHN C[C@@H](O)CCN(C)C1(CO)CC1 644936473 371932411 /nfs/dbraw/zinc/93/24/11/371932411.db2.gz QCHCEAVKECBOMT-MRVPVSSYSA-N 0 3 173.256 0.214 20 0 ACADHN C[C@H](O)CCN(C)C1(CO)CC1 644936474 371932797 /nfs/dbraw/zinc/93/27/97/371932797.db2.gz QCHCEAVKECBOMT-QMMMGPOBSA-N 0 3 173.256 0.214 20 0 ACADHN CO[C@@H](CNC1(C(N)=O)CC1)C1CC1 644928877 371932819 /nfs/dbraw/zinc/93/28/19/371932819.db2.gz UWPDWVCLCYOBTR-QMMMGPOBSA-N 0 3 198.266 0.019 20 0 ACADHN CC[C@H]1CN(C)CCN1CCCO 644938796 371933745 /nfs/dbraw/zinc/93/37/45/371933745.db2.gz FHCUMOSONCRTDK-JTQLQIEISA-N 0 3 186.299 0.395 20 0 ACADHN CC[C@@H]1CN(C)CCN1CCCO 644938797 371935067 /nfs/dbraw/zinc/93/50/67/371935067.db2.gz FHCUMOSONCRTDK-SNVBAGLBSA-N 0 3 186.299 0.395 20 0 ACADHN CCCN[C@H](C)C(=O)Nc1cn[nH]c1 645413819 371962126 /nfs/dbraw/zinc/96/21/26/371962126.db2.gz NIVBNYDGPLYRRC-SSDOTTSWSA-N 0 3 196.254 0.736 20 0 ACADHN CN(C)CCNC(=O)c1cc(F)c[nH]1 645027237 371939734 /nfs/dbraw/zinc/93/97/34/371939734.db2.gz MOFMPILVTCULMQ-UHFFFAOYSA-N 0 3 199.229 0.445 20 0 ACADHN CCCN(C(=O)NC)[C@@H]1CCN(C)C1 645170835 371949568 /nfs/dbraw/zinc/94/95/68/371949568.db2.gz PJQYNRADGZODFF-SECBINFHSA-N 0 3 199.298 0.742 20 0 ACADHN CCCN(C(=O)NC)[C@H]1CCN(C)C1 645170837 371950404 /nfs/dbraw/zinc/95/04/04/371950404.db2.gz PJQYNRADGZODFF-VIFPVBQESA-N 0 3 199.298 0.742 20 0 ACADHN CCN(Cc1cnn(C)c1)[C@@H](C)CO 645231394 371955609 /nfs/dbraw/zinc/95/56/09/371955609.db2.gz SRMMZUNBOSEQFC-VIFPVBQESA-N 0 3 197.282 0.623 20 0 ACADHN O[C@@H]1CCCN(Cc2cnc[nH]2)CC1 645268621 371959935 /nfs/dbraw/zinc/95/99/35/371959935.db2.gz CPRDESMGPOZGLC-SNVBAGLBSA-N 0 3 195.266 0.757 20 0 ACADHN O[C@H]1CCCN(Cc2cnc[nH]2)CC1 645268620 371960861 /nfs/dbraw/zinc/96/08/61/371960861.db2.gz CPRDESMGPOZGLC-JTQLQIEISA-N 0 3 195.266 0.757 20 0 ACADHN CCCN[C@H](C)C(=O)Nc1nc[nH]n1 645410083 371962022 /nfs/dbraw/zinc/96/20/22/371962022.db2.gz RTYRSPGCRJNZDC-ZCFIWIBFSA-N 0 3 197.242 0.131 20 0 ACADHN CCCN[C@@H](C)C(=O)Nc1nc[nH]n1 645410082 371962096 /nfs/dbraw/zinc/96/20/96/371962096.db2.gz RTYRSPGCRJNZDC-LURJTMIESA-N 0 3 197.242 0.131 20 0 ACADHN CCCN[C@@H](C)C(=O)Nc1cn[nH]c1 645413820 371962103 /nfs/dbraw/zinc/96/21/03/371962103.db2.gz NIVBNYDGPLYRRC-ZETCQYMHSA-N 0 3 196.254 0.736 20 0 ACADHN NC(=O)C1(NCC2=CCCC2)CC1 645847770 371968809 /nfs/dbraw/zinc/96/88/09/371968809.db2.gz AGQQUQQIAYUBHL-UHFFFAOYSA-N 0 3 180.251 0.704 20 0 ACADHN CC(C)O[C@@H]1CCN(CCO)C1 645945460 371972817 /nfs/dbraw/zinc/97/28/17/371972817.db2.gz UDOWYIYBKUKVHP-SECBINFHSA-N 0 3 173.256 0.478 20 0 ACADHN CN[C@@H](C)C(=O)NCCC(C)C 20363866 375289386 /nfs/dbraw/zinc/28/93/86/375289386.db2.gz GTLLXEMNTZWLOT-QMMMGPOBSA-N 0 3 172.272 0.757 20 0 ACADHN CC[C@@H](C)NC(=O)[C@H](C)NC 20363851 375289435 /nfs/dbraw/zinc/28/94/35/375289435.db2.gz FJTICOXOYAYSJN-RQJHMYQMSA-N 0 3 158.245 0.509 20 0 ACADHN CCN[C@H](C)C(=O)N(CC)CC 20363998 375289644 /nfs/dbraw/zinc/28/96/44/375289644.db2.gz FSHXHQRXRYSACT-MRVPVSSYSA-N 0 3 172.272 0.853 20 0 ACADHN CCN[C@H](C)C(=O)NCCCOC 20363978 375289745 /nfs/dbraw/zinc/28/97/45/375289745.db2.gz GIBADDYOHKVUCQ-MRVPVSSYSA-N 0 3 188.271 0.137 20 0 ACADHN CCCCNC(=O)[C@H](C)NC 20363861 375289856 /nfs/dbraw/zinc/28/98/56/375289856.db2.gz NBMYXHYNVBXSHO-ZETCQYMHSA-N 0 3 158.245 0.511 20 0 ACADHN CCN[C@@H](C)C(=O)N(CC)CC 20363997 375289880 /nfs/dbraw/zinc/28/98/80/375289880.db2.gz FSHXHQRXRYSACT-QMMMGPOBSA-N 0 3 172.272 0.853 20 0 ACADHN CC(C)NC(=O)N1CCCNCC1 20209031 375289968 /nfs/dbraw/zinc/28/99/68/375289968.db2.gz ZTDVMZXDKAWLAX-UHFFFAOYSA-N 0 3 185.271 0.400 20 0 ACADHN CC[C@H](C)NC(=O)[C@H](C)NC 20363853 375289980 /nfs/dbraw/zinc/28/99/80/375289980.db2.gz FJTICOXOYAYSJN-BQBZGAKWSA-N 0 3 158.245 0.509 20 0 ACADHN CCN[C@@H](C)C(=O)NCCCOC 20363976 375290004 /nfs/dbraw/zinc/29/00/04/375290004.db2.gz GIBADDYOHKVUCQ-QMMMGPOBSA-N 0 3 188.271 0.137 20 0 ACADHN CCC(C)(C)NC(=O)[C@H](C)NC 20363880 375290068 /nfs/dbraw/zinc/29/00/68/375290068.db2.gz MWGOEYRJEMQQEU-ZETCQYMHSA-N 0 3 172.272 0.899 20 0 ACADHN CNC(=O)COc1ccccc1CN 22222806 375291645 /nfs/dbraw/zinc/29/16/45/375291645.db2.gz HEOKFCDPTSTCSZ-UHFFFAOYSA-N 0 3 194.234 0.270 20 0 ACADHN CC[C@@H](C)[C@H](N)C(=O)N(C)CC 27555706 375292799 /nfs/dbraw/zinc/29/27/99/375292799.db2.gz IUVAYAARSQMGGM-SFYZADRCSA-N 0 3 172.272 0.838 20 0 ACADHN CC(C)n1cc(NC(=O)[C@@H](C)N)cn1 26510716 375292925 /nfs/dbraw/zinc/29/29/25/375292925.db2.gz VWJZCLAKZJZJIU-SSDOTTSWSA-N 0 3 196.254 0.750 20 0 ACADHN CNC(=O)C[C@H](N)Cc1ccccc1 28656056 375293175 /nfs/dbraw/zinc/29/31/75/375293175.db2.gz OAPIOURIBXMELC-SNVBAGLBSA-N 0 3 192.262 0.693 20 0 ACADHN O[C@@H]1COC[C@@H]1NCc1cccs1 37886184 375296715 /nfs/dbraw/zinc/29/67/15/375296715.db2.gz LFAISBKGIFFWBZ-DTWKUNHWSA-N 0 3 199.275 0.597 20 0 ACADHN O[C@H]1COC[C@H]1NCc1ccccc1 37873809 375296736 /nfs/dbraw/zinc/29/67/36/375296736.db2.gz PPYCPKIAXTYTGE-MNOVXSKESA-N 0 3 193.246 0.536 20 0 ACADHN O[C@@H]1COC[C@@H]1NCc1ccccc1 37873812 375296750 /nfs/dbraw/zinc/29/67/50/375296750.db2.gz PPYCPKIAXTYTGE-WDEREUQCSA-N 0 3 193.246 0.536 20 0 ACADHN O[C@@H]1COC[C@H]1NCc1cccs1 37886183 375296778 /nfs/dbraw/zinc/29/67/78/375296778.db2.gz LFAISBKGIFFWBZ-RKDXNWHRSA-N 0 3 199.275 0.597 20 0 ACADHN O[C@@H]1COC[C@H]1NCc1ccccc1 37873811 375296878 /nfs/dbraw/zinc/29/68/78/375296878.db2.gz PPYCPKIAXTYTGE-GHMZBOCLSA-N 0 3 193.246 0.536 20 0 ACADHN C[C@@H]1CCN(CC(N)=O)[C@H](C)C1 51747071 375302522 /nfs/dbraw/zinc/30/25/22/375302522.db2.gz RMYSZMUZXVDTBB-HTQZYQBOSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@@H]1CCCN([C@@H](C)C(N)=O)C1 57391440 375303521 /nfs/dbraw/zinc/30/35/21/375303521.db2.gz HEMFZQSXGQPCRO-DTWKUNHWSA-N 0 3 184.283 0.982 20 0 ACADHN CCC1CCN([C@@H](C)C(N)=O)CC1 58002753 375303618 /nfs/dbraw/zinc/30/36/18/375303618.db2.gz GGUDGFRNWBGWID-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@H]1CCCN([C@@H](C)C(N)=O)C1 57391441 375303963 /nfs/dbraw/zinc/30/39/63/375303963.db2.gz HEMFZQSXGQPCRO-IUCAKERBSA-N 0 3 184.283 0.982 20 0 ACADHN CCCN1CCc2n[nH]c(=O)cc2C1 54930821 375304693 /nfs/dbraw/zinc/30/46/93/375304693.db2.gz YWWKZXHKVFGXLE-UHFFFAOYSA-N 0 3 193.250 0.950 20 0 ACADHN CC(C)Oc1cc[nH]c(=NN)n1 58825367 375306308 /nfs/dbraw/zinc/30/63/08/375306308.db2.gz XYVGOMHAQPIOOX-UHFFFAOYSA-N 0 3 168.200 0.549 20 0 ACADHN CC[C@@H](C(N)=O)N1CCC[C@H](C)C1 61678869 375306856 /nfs/dbraw/zinc/30/68/56/375306856.db2.gz PRVYMNOPRPEECO-IUCAKERBSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@H](C(N)=O)N1CC[C@H](C)C1 61679132 375306906 /nfs/dbraw/zinc/30/69/06/375306906.db2.gz GQPPYSQYJIRBJM-JGVFFNPUSA-N 0 3 170.256 0.592 20 0 ACADHN O[C@H]1CCN(CCc2ccccn2)C1 61708306 375306924 /nfs/dbraw/zinc/30/69/24/375306924.db2.gz CUDBJFFDJCGKMJ-NSHDSACASA-N 0 3 192.262 0.691 20 0 ACADHN CC[C@@H](C(N)=O)N1CC[C@H](C)C1 61679131 375307171 /nfs/dbraw/zinc/30/71/71/375307171.db2.gz GQPPYSQYJIRBJM-YUMQZZPRSA-N 0 3 170.256 0.592 20 0 ACADHN O[C@H]1CCN(CCc2ccncc2)C1 61708294 375307209 /nfs/dbraw/zinc/30/72/09/375307209.db2.gz NVLSOYAYGRVTEL-NSHDSACASA-N 0 3 192.262 0.691 20 0 ACADHN CC[C@H](C(N)=O)N1CCC[C@H](C)C1 61678870 375307259 /nfs/dbraw/zinc/30/72/59/375307259.db2.gz PRVYMNOPRPEECO-DTWKUNHWSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@H](C(N)=O)N1CCC(C)CC1 61678856 375307652 /nfs/dbraw/zinc/30/76/52/375307652.db2.gz WOXBWFCYYXQTPG-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN Cc1nccn1CCN1CC[C@@H](O)C1 61708171 375307693 /nfs/dbraw/zinc/30/76/93/375307693.db2.gz RIFUGEKIPXUFTO-SNVBAGLBSA-N 0 3 195.266 0.258 20 0 ACADHN O[C@@H]1CCN(CCc2ccccn2)C1 61708307 375307748 /nfs/dbraw/zinc/30/77/48/375307748.db2.gz CUDBJFFDJCGKMJ-LLVKDONJSA-N 0 3 192.262 0.691 20 0 ACADHN CC[C@@H](C(N)=O)N1CCC(C)CC1 61678855 375308026 /nfs/dbraw/zinc/30/80/26/375308026.db2.gz WOXBWFCYYXQTPG-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN O[C@@H]1CCN(CCc2ccncc2)C1 61708295 375308061 /nfs/dbraw/zinc/30/80/61/375308061.db2.gz NVLSOYAYGRVTEL-LLVKDONJSA-N 0 3 192.262 0.691 20 0 ACADHN CC[C@H](O)CN1CCCOCC1 61920683 375309454 /nfs/dbraw/zinc/30/94/54/375309454.db2.gz APQQHRPUNXFZSM-VIFPVBQESA-N 0 3 173.256 0.480 20 0 ACADHN CC[C@@H](O)CN1CCCOCC1 61920684 375309489 /nfs/dbraw/zinc/30/94/89/375309489.db2.gz APQQHRPUNXFZSM-SECBINFHSA-N 0 3 173.256 0.480 20 0 ACADHN CN(CCN1CCCC1)C(N)=O 63052267 375314166 /nfs/dbraw/zinc/31/41/66/375314166.db2.gz YLOIKNRNGHDESF-UHFFFAOYSA-N 0 3 171.244 0.093 20 0 ACADHN O[C@H]1CCN(CCc2cccnc2)C1 63224176 375314948 /nfs/dbraw/zinc/31/49/48/375314948.db2.gz BQKSQTHTEBEJLF-NSHDSACASA-N 0 3 192.262 0.691 20 0 ACADHN O[C@@H]1CCN(CCc2cccnc2)C1 63224178 375315575 /nfs/dbraw/zinc/31/55/75/375315575.db2.gz BQKSQTHTEBEJLF-LLVKDONJSA-N 0 3 192.262 0.691 20 0 ACADHN C[C@@H](N)C(=O)NCc1ccsc1 63154701 375315652 /nfs/dbraw/zinc/31/56/52/375315652.db2.gz GAJDYLDFQIFOAH-ZCFIWIBFSA-N 0 3 184.264 0.712 20 0 ACADHN C[C@H](N)C(=O)N1CCCC(C)(C)C1 69793918 375316558 /nfs/dbraw/zinc/31/65/58/375316558.db2.gz UUDULHCWJAESAM-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H](C(N)=O)N1CCCC(C)(C)C1 69793706 375316686 /nfs/dbraw/zinc/31/66/86/375316686.db2.gz NZMRPFXZAMQAKC-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN CNCC(=O)N1CCCC(C)(C)C1 69793887 375316727 /nfs/dbraw/zinc/31/67/27/375316727.db2.gz CAYLCDAXXJFTRJ-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CC1(C)CCCN(CC(N)=O)C1 69793703 375316851 /nfs/dbraw/zinc/31/68/51/375316851.db2.gz NJIZFWKHNMODHA-UHFFFAOYSA-N 0 3 170.256 0.594 20 0 ACADHN C[C@@H](N)C(=O)N1CCCC(C)(C)C1 69793919 375316942 /nfs/dbraw/zinc/31/69/42/375316942.db2.gz UUDULHCWJAESAM-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@@H](C(N)=O)N1CCCC(C)(C)C1 69793704 375317013 /nfs/dbraw/zinc/31/70/13/375317013.db2.gz NZMRPFXZAMQAKC-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H]1CN(C(=O)CN)C[C@@H](C)S1 69909460 375317427 /nfs/dbraw/zinc/31/74/27/375317427.db2.gz BPPHITYPMSJFMB-KNVOCYPGSA-N 0 3 188.296 0.298 20 0 ACADHN C[C@H]1CN(C(=O)CN)C[C@H](C)S1 69909461 375317900 /nfs/dbraw/zinc/31/79/00/375317900.db2.gz BPPHITYPMSJFMB-BQBZGAKWSA-N 0 3 188.296 0.298 20 0 ACADHN C[C@@H]1CN(C(=O)CN)C[C@@H](C)S1 69909462 375318026 /nfs/dbraw/zinc/31/80/26/375318026.db2.gz BPPHITYPMSJFMB-RNFRBKRXSA-N 0 3 188.296 0.298 20 0 ACADHN C[C@H]1CCCN(CC(N)=O)CC1 70158223 375320454 /nfs/dbraw/zinc/32/04/54/375320454.db2.gz BGCUEEDSKYGKJL-QMMMGPOBSA-N 0 3 170.256 0.594 20 0 ACADHN C[C@@H]1CCCN(CC(N)=O)CC1 70158222 375320922 /nfs/dbraw/zinc/32/09/22/375320922.db2.gz BGCUEEDSKYGKJL-MRVPVSSYSA-N 0 3 170.256 0.594 20 0 ACADHN C[C@H]1CSCCN1CCO 70220817 375323620 /nfs/dbraw/zinc/32/36/20/375323620.db2.gz PEVVIJLIJAPAQB-ZETCQYMHSA-N 0 3 161.270 0.416 20 0 ACADHN C[C@@H]1CSCCN1CCO 70220816 375324093 /nfs/dbraw/zinc/32/40/93/375324093.db2.gz PEVVIJLIJAPAQB-SSDOTTSWSA-N 0 3 161.270 0.416 20 0 ACADHN CCN1CCC(N(C)C(C)=O)CC1 70225552 375324992 /nfs/dbraw/zinc/32/49/92/375324992.db2.gz CLYDWCCXGUOPQV-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN CCN1CCC[C@H]1CNC(C)=O 70225262 375324804 /nfs/dbraw/zinc/32/48/04/375324804.db2.gz WMBYVKJEBSPRRT-VIFPVBQESA-N 0 3 170.256 0.607 20 0 ACADHN CC(=O)NCCN1CCC(C)CC1 70225002 375324873 /nfs/dbraw/zinc/32/48/73/375324873.db2.gz AYXLODRWMGIJIY-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CCN1CCC[C@@H]1CNC(C)=O 70225261 375325026 /nfs/dbraw/zinc/32/50/26/375325026.db2.gz WMBYVKJEBSPRRT-SECBINFHSA-N 0 3 170.256 0.607 20 0 ACADHN CC(=O)N[C@H](C)CN1CCCCC1 70226647 375328416 /nfs/dbraw/zinc/32/84/16/375328416.db2.gz HYDGQYSDBQJRCH-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CCN1CCC[C@H](NC(=O)C2CC2)C1 70227558 375328904 /nfs/dbraw/zinc/32/89/04/375328904.db2.gz LKVMZRSLGGCNGZ-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN CCC(=O)N[C@@H]1CCCN(CC)C1 70227556 375328947 /nfs/dbraw/zinc/32/89/47/375328947.db2.gz HOYGWZPOTGMFMG-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CCN1CCC[C@H](NC(C)=O)C1 70227121 375328960 /nfs/dbraw/zinc/32/89/60/375328960.db2.gz MCHWARQFESFLQL-VIFPVBQESA-N 0 3 170.256 0.607 20 0 ACADHN CCN1CCC[C@@H](NC(C)=O)C1 70227122 375329072 /nfs/dbraw/zinc/32/90/72/375329072.db2.gz MCHWARQFESFLQL-SECBINFHSA-N 0 3 170.256 0.607 20 0 ACADHN CCN1CCC[C@@H](NC(=O)C2CC2)C1 70227559 375329462 /nfs/dbraw/zinc/32/94/62/375329462.db2.gz LKVMZRSLGGCNGZ-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CC(C)C(=O)N[C@@H]1CCN(C2CC2)C1 70228429 375330141 /nfs/dbraw/zinc/33/01/41/375330141.db2.gz FBCNEVYQLTVRSR-SECBINFHSA-N 0 3 196.294 0.995 20 0 ACADHN O=C(N[C@H]1CCN(C2CC2)C1)C1CC1 70228426 375330203 /nfs/dbraw/zinc/33/02/03/375330203.db2.gz VKEHTGGWACUHQR-VIFPVBQESA-N 0 3 194.278 0.749 20 0 ACADHN CC(=O)N[C@@H]1CCN(C2CC2)C1 70228427 375330217 /nfs/dbraw/zinc/33/02/17/375330217.db2.gz HARJRIHHQUEHSC-MRVPVSSYSA-N 0 3 168.240 0.359 20 0 ACADHN O=C(N[C@@H]1CCN(C2CC2)C1)C1CC1 70228425 375330246 /nfs/dbraw/zinc/33/02/46/375330246.db2.gz VKEHTGGWACUHQR-SECBINFHSA-N 0 3 194.278 0.749 20 0 ACADHN CCC(=O)N[C@@H]1CCN(C2CC2)C1 70228423 375330352 /nfs/dbraw/zinc/33/03/52/375330352.db2.gz YXJQUNUDGJOSQB-MRVPVSSYSA-N 0 3 182.267 0.749 20 0 ACADHN CCC(=O)N[C@H]1CCN(C2CC2)C1 70228424 375330423 /nfs/dbraw/zinc/33/04/23/375330423.db2.gz YXJQUNUDGJOSQB-QMMMGPOBSA-N 0 3 182.267 0.749 20 0 ACADHN CC(C)C(=O)N[C@H]1CCN(C2CC2)C1 70228430 375330582 /nfs/dbraw/zinc/33/05/82/375330582.db2.gz FBCNEVYQLTVRSR-VIFPVBQESA-N 0 3 196.294 0.995 20 0 ACADHN CC(=O)N1CCN2CCC[C@H]2C1 70232966 375331731 /nfs/dbraw/zinc/33/17/31/375331731.db2.gz FOJIUTWWKQIYNU-VIFPVBQESA-N 0 3 168.240 0.313 20 0 ACADHN CC(=O)N1CCN2CCC[C@@H]2C1 70232964 375332023 /nfs/dbraw/zinc/33/20/23/375332023.db2.gz FOJIUTWWKQIYNU-SECBINFHSA-N 0 3 168.240 0.313 20 0 ACADHN CNCC(=O)N[C@@H]1CCC[C@@H]1C 70834321 375339663 /nfs/dbraw/zinc/33/96/63/375339663.db2.gz MDOJOWUOMHDDLQ-JGVFFNPUSA-N 0 3 170.256 0.511 20 0 ACADHN C[C@H]1CSCCN1CCCO 70534740 375332928 /nfs/dbraw/zinc/33/29/28/375332928.db2.gz JPQGYVNSFMTLGX-QMMMGPOBSA-N 0 3 175.297 0.806 20 0 ACADHN C[C@@H]1CSCCN1CCCO 70534739 375333098 /nfs/dbraw/zinc/33/30/98/375333098.db2.gz JPQGYVNSFMTLGX-MRVPVSSYSA-N 0 3 175.297 0.806 20 0 ACADHN C[C@@H](C[NH3+])C(=O)Nc1ccccc1[O-] 70609694 375334160 /nfs/dbraw/zinc/33/41/60/375334160.db2.gz ILIKBOGBMXAUSP-ZETCQYMHSA-N 0 3 194.234 0.926 20 0 ACADHN CCN(CC)C(=O)[C@H]1CCCN1C 82316464 375356293 /nfs/dbraw/zinc/35/62/93/375356293.db2.gz BZSCKOKWVVSJFR-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN C[C@H]1CN(CCO)C[C@@H](C)S1 70535435 375334774 /nfs/dbraw/zinc/33/47/74/375334774.db2.gz LUISLYVSBGPAMR-OCAPTIKFSA-N 0 3 175.297 0.805 20 0 ACADHN C[C@H]1CN(CCO)C[C@H](C)S1 70535436 375334956 /nfs/dbraw/zinc/33/49/56/375334956.db2.gz LUISLYVSBGPAMR-YUMQZZPRSA-N 0 3 175.297 0.805 20 0 ACADHN C[C@@H]1CN(CCO)C[C@@H](C)S1 70535437 375335173 /nfs/dbraw/zinc/33/51/73/375335173.db2.gz LUISLYVSBGPAMR-HTQZYQBOSA-N 0 3 175.297 0.805 20 0 ACADHN C[C@H](C[NH3+])C(=O)Nc1ccccc1[O-] 70609695 375335237 /nfs/dbraw/zinc/33/52/37/375335237.db2.gz ILIKBOGBMXAUSP-SSDOTTSWSA-N 0 3 194.234 0.926 20 0 ACADHN CC(=O)N1CCC[C@H](N(C)C)C1 82431703 375361082 /nfs/dbraw/zinc/36/10/82/375361082.db2.gz IBZPMVIFAJFNBY-VIFPVBQESA-N 0 3 170.256 0.559 20 0 ACADHN C[C@H]1CCN[C@H](C(=O)N(C)C)C1 70632648 375335962 /nfs/dbraw/zinc/33/59/62/375335962.db2.gz TXQRMSCCRJJQEK-YUMQZZPRSA-N 0 3 170.256 0.463 20 0 ACADHN C[C@@H]1CCN[C@H](C(=O)N(C)C)C1 70632646 375336197 /nfs/dbraw/zinc/33/61/97/375336197.db2.gz TXQRMSCCRJJQEK-SFYZADRCSA-N 0 3 170.256 0.463 20 0 ACADHN C[C@H]1CCN[C@@H](C(=O)N(C)C)C1 70632651 375336443 /nfs/dbraw/zinc/33/64/43/375336443.db2.gz TXQRMSCCRJJQEK-JGVFFNPUSA-N 0 3 170.256 0.463 20 0 ACADHN C[C@@H]1CCN[C@@H](C(=O)N(C)C)C1 70632650 375336766 /nfs/dbraw/zinc/33/67/66/375336766.db2.gz TXQRMSCCRJJQEK-HTQZYQBOSA-N 0 3 170.256 0.463 20 0 ACADHN C[C@H]1CCC[C@H]1NC(=O)CN 70834098 375338310 /nfs/dbraw/zinc/33/83/10/375338310.db2.gz TWLHSGIIEMGFBP-NKWVEPMBSA-N 0 3 156.229 0.250 20 0 ACADHN C[C@@H]1CCC[C@H]1NC(=O)CN 70834096 375338441 /nfs/dbraw/zinc/33/84/41/375338441.db2.gz TWLHSGIIEMGFBP-RNFRBKRXSA-N 0 3 156.229 0.250 20 0 ACADHN C[C@@H]1CCC[C@@H]1NC(=O)CN 70834089 375338667 /nfs/dbraw/zinc/33/86/67/375338667.db2.gz TWLHSGIIEMGFBP-RQJHMYQMSA-N 0 3 156.229 0.250 20 0 ACADHN C[C@H]1CCC[C@@H]1NC(=O)CN 70834093 375338686 /nfs/dbraw/zinc/33/86/86/375338686.db2.gz TWLHSGIIEMGFBP-BQBZGAKWSA-N 0 3 156.229 0.250 20 0 ACADHN CNCC(=O)N[C@H]1CCC[C@H]1C 70834310 375339527 /nfs/dbraw/zinc/33/95/27/375339527.db2.gz MDOJOWUOMHDDLQ-SFYZADRCSA-N 0 3 170.256 0.511 20 0 ACADHN CNCC(=O)N[C@H]1CCC[C@@H]1C 70834314 375339599 /nfs/dbraw/zinc/33/95/99/375339599.db2.gz MDOJOWUOMHDDLQ-YUMQZZPRSA-N 0 3 170.256 0.511 20 0 ACADHN CNCC(=O)N[C@@H]1CCC[C@H]1C 70834318 375339683 /nfs/dbraw/zinc/33/96/83/375339683.db2.gz MDOJOWUOMHDDLQ-HTQZYQBOSA-N 0 3 170.256 0.511 20 0 ACADHN CNCC(=O)Nc1cnccc1C 70959284 375340587 /nfs/dbraw/zinc/34/05/87/375340587.db2.gz HFBUJGYKZGZCRU-UHFFFAOYSA-N 0 3 179.223 0.548 20 0 ACADHN O=C1NCCCC[C@@H]1N[C@H]1CCOC1 70966151 375341001 /nfs/dbraw/zinc/34/10/01/375341001.db2.gz XHEUFKDBCXEODU-IUCAKERBSA-N 0 3 198.266 0.034 20 0 ACADHN O=C1NCCCC[C@H]1N[C@@H]1CCOC1 70966139 375341121 /nfs/dbraw/zinc/34/11/21/375341121.db2.gz XHEUFKDBCXEODU-RKDXNWHRSA-N 0 3 198.266 0.034 20 0 ACADHN O=C1NCCCC[C@H]1N[C@H]1CCOC1 70966147 375341201 /nfs/dbraw/zinc/34/12/01/375341201.db2.gz XHEUFKDBCXEODU-DTWKUNHWSA-N 0 3 198.266 0.034 20 0 ACADHN O=C1NCCCC[C@@H]1N[C@@H]1CCOC1 70966143 375341268 /nfs/dbraw/zinc/34/12/68/375341268.db2.gz XHEUFKDBCXEODU-BDAKNGLRSA-N 0 3 198.266 0.034 20 0 ACADHN Cn1nccc1CN[C@H]1CCOC1 70969723 375341950 /nfs/dbraw/zinc/34/19/50/375341950.db2.gz XIEOZRWLYOQHGH-QMMMGPOBSA-N 0 3 181.239 0.299 20 0 ACADHN Cn1nccc1CN[C@@H]1CCOC1 70969719 375342004 /nfs/dbraw/zinc/34/20/04/375342004.db2.gz XIEOZRWLYOQHGH-MRVPVSSYSA-N 0 3 181.239 0.299 20 0 ACADHN CC(C)(N)C(=O)N[C@H]1CCCOC1 71023415 375342694 /nfs/dbraw/zinc/34/26/94/375342694.db2.gz RDDYKRJILQHCTG-ZETCQYMHSA-N 0 3 186.255 0.019 20 0 ACADHN CC(C)(N)C(=O)N[C@@H]1CCCOC1 71023410 375342806 /nfs/dbraw/zinc/34/28/06/375342806.db2.gz RDDYKRJILQHCTG-SSDOTTSWSA-N 0 3 186.255 0.019 20 0 ACADHN CC(=O)N1CCCN(CC2CC2)CC1 72254435 375344900 /nfs/dbraw/zinc/34/49/00/375344900.db2.gz FHQRVXSXYGTNRC-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN CN1CCN(CC2CCOCC2)CC1 202215956 375409957 /nfs/dbraw/zinc/40/99/57/375409957.db2.gz JNAMUUCPAOIUOB-UHFFFAOYSA-N 0 3 198.310 0.660 20 0 ACADHN Cc1n[nH]c(C)c1CN1CC[C@@H](O)C1 75122445 375348022 /nfs/dbraw/zinc/34/80/22/375348022.db2.gz GUXZKOVQQGOVHQ-SECBINFHSA-N 0 3 195.266 0.593 20 0 ACADHN CC(=O)N(C)CCN1CCCC1 74917579 375347815 /nfs/dbraw/zinc/34/78/15/375347815.db2.gz YTUSQLDAZZCWFW-UHFFFAOYSA-N 0 3 170.256 0.561 20 0 ACADHN Cc1n[nH]c(C)c1CN1CC[C@H](O)C1 75122444 375347872 /nfs/dbraw/zinc/34/78/72/375347872.db2.gz GUXZKOVQQGOVHQ-VIFPVBQESA-N 0 3 195.266 0.593 20 0 ACADHN O[C@@H]1CCN(C[C@@H]2CCCCO2)C1 78746656 375349980 /nfs/dbraw/zinc/34/99/80/375349980.db2.gz LKFSCCPUTDKYTB-ZJUUUORDSA-N 0 3 185.267 0.622 20 0 ACADHN O[C@@H]1CCN(C[C@H]2CCCO2)C1 78746993 375349469 /nfs/dbraw/zinc/34/94/69/375349469.db2.gz TVXLKBOQOAVCJV-RKDXNWHRSA-N 0 3 171.240 0.232 20 0 ACADHN O[C@@H]1CCN(C[C@@H]2CCCO2)C1 78747002 375349475 /nfs/dbraw/zinc/34/94/75/375349475.db2.gz TVXLKBOQOAVCJV-BDAKNGLRSA-N 0 3 171.240 0.232 20 0 ACADHN O[C@@H]1CCN(C[C@H]2CCCCO2)C1 78746663 375349896 /nfs/dbraw/zinc/34/98/96/375349896.db2.gz LKFSCCPUTDKYTB-NXEZZACHSA-N 0 3 185.267 0.622 20 0 ACADHN Cc1nc(CNC(=O)CN)sc1C 82254585 375350923 /nfs/dbraw/zinc/35/09/23/375350923.db2.gz FULZUVSTCQSYLP-UHFFFAOYSA-N 0 3 199.279 0.335 20 0 ACADHN CC(C)[C@H]1CCCN1C(=O)[C@H](C)N 82263552 375350957 /nfs/dbraw/zinc/35/09/57/375350957.db2.gz NQYOGGASDBLRCP-DTWKUNHWSA-N 0 3 184.283 0.981 20 0 ACADHN CC(C)[C@H]1CCCN1C(=O)CN 82263529 375350994 /nfs/dbraw/zinc/35/09/94/375350994.db2.gz ROJQUHHQTNBZOA-MRVPVSSYSA-N 0 3 170.256 0.592 20 0 ACADHN CC(C)[C@@H]1CCCN1C(=O)[C@H](C)N 82263551 375351045 /nfs/dbraw/zinc/35/10/45/375351045.db2.gz NQYOGGASDBLRCP-IUCAKERBSA-N 0 3 184.283 0.981 20 0 ACADHN CC(C)[C@@H]1CCCN1C(=O)CN 82263527 375351054 /nfs/dbraw/zinc/35/10/54/375351054.db2.gz ROJQUHHQTNBZOA-QMMMGPOBSA-N 0 3 170.256 0.592 20 0 ACADHN CC(C)[C@H]1CCCN1C(=O)[C@@H](C)N 82263549 375351056 /nfs/dbraw/zinc/35/10/56/375351056.db2.gz NQYOGGASDBLRCP-RKDXNWHRSA-N 0 3 184.283 0.981 20 0 ACADHN NCC(=O)NC1(c2ccccc2)CC1 82254580 375351084 /nfs/dbraw/zinc/35/10/84/375351084.db2.gz SGJAGLMEOCAFIQ-UHFFFAOYSA-N 0 3 190.246 0.751 20 0 ACADHN CNCC(=O)Nc1ccc(C)nc1 82247752 375351106 /nfs/dbraw/zinc/35/11/06/375351106.db2.gz VLMDTSSCYYVTGD-UHFFFAOYSA-N 0 3 179.223 0.548 20 0 ACADHN CNCC(=O)N1CCC[C@H]1C(C)C 82263576 375351125 /nfs/dbraw/zinc/35/11/25/375351125.db2.gz PTWDHEQMZHKKCT-VIFPVBQESA-N 0 3 184.283 0.853 20 0 ACADHN CNCC(=O)Nc1ccnc(C)c1 82247753 375351146 /nfs/dbraw/zinc/35/11/46/375351146.db2.gz STXJDFLBFVYABU-UHFFFAOYSA-N 0 3 179.223 0.548 20 0 ACADHN CNCC(=O)Nc1ccncc1C 82247754 375351171 /nfs/dbraw/zinc/35/11/71/375351171.db2.gz FYLCTHDUNLVXMX-UHFFFAOYSA-N 0 3 179.223 0.548 20 0 ACADHN Cc1ccc(NC(=O)[C@H](C)N)cn1 82247820 375351206 /nfs/dbraw/zinc/35/12/06/375351206.db2.gz RVWYAUGPNKCGCE-ZETCQYMHSA-N 0 3 179.223 0.676 20 0 ACADHN Cc1cnccc1NC(=O)[C@H](C)N 82247821 375351274 /nfs/dbraw/zinc/35/12/74/375351274.db2.gz LPCDVVTUFFFYSK-ZETCQYMHSA-N 0 3 179.223 0.676 20 0 ACADHN CN(C)[C@@H]1CCCN(C(=O)C2CC2)C1 82275631 375351770 /nfs/dbraw/zinc/35/17/70/375351770.db2.gz IPDCXBAZAXJJQL-SNVBAGLBSA-N 0 3 196.294 0.949 20 0 ACADHN CC(C)C(=O)NC[C@H]1CCCN1C 82275743 375352321 /nfs/dbraw/zinc/35/23/21/375352321.db2.gz OBRQYYDHDFFTDJ-SECBINFHSA-N 0 3 184.283 0.853 20 0 ACADHN CCC(=O)N1CCC[C@H](N(C)C)C1 82274845 375352344 /nfs/dbraw/zinc/35/23/44/375352344.db2.gz DCISJWCACODILZ-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN CN1CCC[C@@H]1CNC(=O)C1CC1 82275609 375352361 /nfs/dbraw/zinc/35/23/61/375352361.db2.gz HASUANLQPWCGQL-SECBINFHSA-N 0 3 182.267 0.607 20 0 ACADHN CNCC(=O)N1CCC[C@@H]1C(C)C 82263578 375352396 /nfs/dbraw/zinc/35/23/96/375352396.db2.gz PTWDHEQMZHKKCT-SECBINFHSA-N 0 3 184.283 0.853 20 0 ACADHN CCC(=O)NC[C@H]1CCCN1C 82274823 375352477 /nfs/dbraw/zinc/35/24/77/375352477.db2.gz XHCHRBFQMWXBFL-MRVPVSSYSA-N 0 3 170.256 0.607 20 0 ACADHN CCC(=O)N1CCC[C@@H](N(C)C)C1 82274846 375352719 /nfs/dbraw/zinc/35/27/19/375352719.db2.gz DCISJWCACODILZ-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CN(C)[C@H]1CCCN(C(=O)C2CC2)C1 82275632 375352702 /nfs/dbraw/zinc/35/27/02/375352702.db2.gz IPDCXBAZAXJJQL-JTQLQIEISA-N 0 3 196.294 0.949 20 0 ACADHN CN(C)C(=O)N1CCC[C@H](N(C)C)C1 82275954 375353374 /nfs/dbraw/zinc/35/33/74/375353374.db2.gz MIYCZYLWAJACFR-VIFPVBQESA-N 0 3 199.298 0.694 20 0 ACADHN CN(C)C(=O)N[C@H]1CCN(C2CC2)C1 82275942 375353623 /nfs/dbraw/zinc/35/36/23/375353623.db2.gz RMIOJJDOGRRSOQ-QMMMGPOBSA-N 0 3 197.282 0.494 20 0 ACADHN CN(C)C(=O)N[C@@H]1CCN(C2CC2)C1 82275941 375353711 /nfs/dbraw/zinc/35/37/11/375353711.db2.gz RMIOJJDOGRRSOQ-MRVPVSSYSA-N 0 3 197.282 0.494 20 0 ACADHN CN(C)C(=O)N1CCC[C@@H](N(C)C)C1 82275953 375353755 /nfs/dbraw/zinc/35/37/55/375353755.db2.gz MIYCZYLWAJACFR-SECBINFHSA-N 0 3 199.298 0.694 20 0 ACADHN CC(C)NC(=O)[C@H]1CCCN1C 82298820 375353844 /nfs/dbraw/zinc/35/38/44/375353844.db2.gz FBQJDCDVNVNFPP-MRVPVSSYSA-N 0 3 170.256 0.605 20 0 ACADHN CN(C)C(=O)NC[C@H]1CCCN1C 82275913 375354018 /nfs/dbraw/zinc/35/40/18/375354018.db2.gz XODZZYOJOCXUSU-MRVPVSSYSA-N 0 3 185.271 0.352 20 0 ACADHN CN1CCC[C@@H]1C(=O)NC1CC1 82299101 375354817 /nfs/dbraw/zinc/35/48/17/375354817.db2.gz RVNSXCDYCKSDNT-MRVPVSSYSA-N 0 3 168.240 0.359 20 0 ACADHN CN1CCC[C@H]1C(=O)NC1CC1 82299102 375355187 /nfs/dbraw/zinc/35/51/87/375355187.db2.gz RVNSXCDYCKSDNT-QMMMGPOBSA-N 0 3 168.240 0.359 20 0 ACADHN CN1CCC[C@H]1C(=O)N1CCCC1 82300660 375355256 /nfs/dbraw/zinc/35/52/56/375355256.db2.gz PARQPRKSOHEPKW-VIFPVBQESA-N 0 3 182.267 0.703 20 0 ACADHN CN1CCC[C@@H]1C(=O)NC(C)(C)C 82317099 375355948 /nfs/dbraw/zinc/35/59/48/375355948.db2.gz XNSGDXQYNLODIA-MRVPVSSYSA-N 0 3 184.283 0.995 20 0 ACADHN CCN1CCC[C@H]1CNC(=O)N(C)C 82346383 375356064 /nfs/dbraw/zinc/35/60/64/375356064.db2.gz MMPDXQCTTHQYLF-VIFPVBQESA-N 0 3 199.298 0.742 20 0 ACADHN CCN(CC)C(=O)[C@@H]1CCCN1C 82316462 375356112 /nfs/dbraw/zinc/35/61/12/375356112.db2.gz BZSCKOKWVVSJFR-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN CN1CCC[C@H]1C(=O)NC(C)(C)C 82317097 375356210 /nfs/dbraw/zinc/35/62/10/375356210.db2.gz XNSGDXQYNLODIA-QMMMGPOBSA-N 0 3 184.283 0.995 20 0 ACADHN CN1CCC(NC(=O)NC2CC2)CC1 82339858 375356510 /nfs/dbraw/zinc/35/65/10/375356510.db2.gz ZXMPBPQVZVDALS-UHFFFAOYSA-N 0 3 197.282 0.542 20 0 ACADHN CCN1CCC[C@@H]1CNC(=O)N(C)C 82346381 375356802 /nfs/dbraw/zinc/35/68/02/375356802.db2.gz MMPDXQCTTHQYLF-SECBINFHSA-N 0 3 199.298 0.742 20 0 ACADHN CC(=O)N1CCC[C@@H](N(C)C)C1 82431704 375360723 /nfs/dbraw/zinc/36/07/23/375360723.db2.gz IBZPMVIFAJFNBY-SECBINFHSA-N 0 3 170.256 0.559 20 0 ACADHN CC(=O)N(C)CC1CCN(C)CC1 82425204 375360934 /nfs/dbraw/zinc/36/09/34/375360934.db2.gz NDUJLBVGHQNYEO-UHFFFAOYSA-N 0 3 184.283 0.807 20 0 ACADHN Cn1nccc1CN[C@H]1CCCOC1 82431464 375360986 /nfs/dbraw/zinc/36/09/86/375360986.db2.gz CZJUUBZLLXKDFY-VIFPVBQESA-N 0 3 195.266 0.689 20 0 ACADHN Cn1nccc1CN[C@@H]1CCCOC1 82431461 375361129 /nfs/dbraw/zinc/36/11/29/375361129.db2.gz CZJUUBZLLXKDFY-SECBINFHSA-N 0 3 195.266 0.689 20 0 ACADHN Cn1cncc1CN[C@H]1CCCOC1 82474066 375361775 /nfs/dbraw/zinc/36/17/75/375361775.db2.gz UJRMPMGUONADCM-VIFPVBQESA-N 0 3 195.266 0.689 20 0 ACADHN Cn1cncc1CN[C@@H]1CCCOC1 82474065 375361730 /nfs/dbraw/zinc/36/17/30/375361730.db2.gz UJRMPMGUONADCM-SECBINFHSA-N 0 3 195.266 0.689 20 0 ACADHN CCN1CCN(C[C@@H](C)O)C[C@@H]1C 82484248 375363267 /nfs/dbraw/zinc/36/32/67/375363267.db2.gz VEQMSDLQTQAMTH-VHSXEESVSA-N 0 3 186.299 0.393 20 0 ACADHN C[C@H](N)C(=O)N1CCC[C@@H](C)CC1 82490727 375364220 /nfs/dbraw/zinc/36/42/20/375364220.db2.gz WGDVTBHNTRGSBX-BDAKNGLRSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@@H]1CCCN(C(=O)[C@@H](C)N)CC1 82490733 375364309 /nfs/dbraw/zinc/36/43/09/375364309.db2.gz WGDVTBHNTRGSBX-RKDXNWHRSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H](N)C(=O)N(C)CC1CCCC1 82492946 375364324 /nfs/dbraw/zinc/36/43/24/375364324.db2.gz WUJZCJCDKFMBPH-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN CN(CC1CCCC1)C(=O)CN 82492961 375364540 /nfs/dbraw/zinc/36/45/40/375364540.db2.gz CIIHAIGZBSPQQD-UHFFFAOYSA-N 0 3 170.256 0.594 20 0 ACADHN Cc1cnccc1NC(=O)[C@@H](C)N 82523270 375364632 /nfs/dbraw/zinc/36/46/32/375364632.db2.gz LPCDVVTUFFFYSK-SSDOTTSWSA-N 0 3 179.223 0.676 20 0 ACADHN C[C@@H](N)C(=O)N(C)CC1CCCC1 82492915 375364771 /nfs/dbraw/zinc/36/47/71/375364771.db2.gz WUJZCJCDKFMBPH-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN CNCC(=O)N1CCC[C@@H](C)CC1 82490902 375364917 /nfs/dbraw/zinc/36/49/17/375364917.db2.gz BFAQVPABIASEBF-SECBINFHSA-N 0 3 184.283 0.854 20 0 ACADHN CNCC(=O)N1CCC[C@H](C)CC1 82490905 375365233 /nfs/dbraw/zinc/36/52/33/375365233.db2.gz BFAQVPABIASEBF-VIFPVBQESA-N 0 3 184.283 0.854 20 0 ACADHN C[C@H]1CCCN(C(=O)[C@H](C)N)CC1 82490728 375365259 /nfs/dbraw/zinc/36/52/59/375365259.db2.gz WGDVTBHNTRGSBX-IUCAKERBSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H]1CCCN(C(=O)[C@@H](C)N)CC1 82490736 375365403 /nfs/dbraw/zinc/36/54/03/375365403.db2.gz WGDVTBHNTRGSBX-DTWKUNHWSA-N 0 3 184.283 0.982 20 0 ACADHN CC1(CNC(=O)CN)CCCC1 82625687 375367600 /nfs/dbraw/zinc/36/76/00/375367600.db2.gz WRUZNDMAHOKTQW-UHFFFAOYSA-N 0 3 170.256 0.642 20 0 ACADHN C[C@@H]1CC(NC(=O)CN)C[C@@H](C)C1 82835443 375371419 /nfs/dbraw/zinc/37/14/19/375371419.db2.gz GJCXMQNLTCSHPO-YUMQZZPRSA-N 0 3 184.283 0.886 20 0 ACADHN C[C@H]1CC(NC(=O)CN)C[C@H](C)C1 82835444 375371857 /nfs/dbraw/zinc/37/18/57/375371857.db2.gz GJCXMQNLTCSHPO-HTQZYQBOSA-N 0 3 184.283 0.886 20 0 ACADHN CCNC(=O)N1C[C@H](C)NC[C@@H]1C 83118464 375374281 /nfs/dbraw/zinc/37/42/81/375374281.db2.gz DKMCAPBNJZHGCX-YUMQZZPRSA-N 0 3 185.271 0.398 20 0 ACADHN CCNC(=O)N1C[C@H](C)NC[C@H]1C 83118466 375374452 /nfs/dbraw/zinc/37/44/52/375374452.db2.gz DKMCAPBNJZHGCX-JGVFFNPUSA-N 0 3 185.271 0.398 20 0 ACADHN CCNC(=O)N1C[C@@H](C)NC[C@H]1C 83118467 375374467 /nfs/dbraw/zinc/37/44/67/375374467.db2.gz DKMCAPBNJZHGCX-HTQZYQBOSA-N 0 3 185.271 0.398 20 0 ACADHN CCNC(=O)N1C[C@@H](C)NC[C@@H]1C 83118465 375374479 /nfs/dbraw/zinc/37/44/79/375374479.db2.gz DKMCAPBNJZHGCX-SFYZADRCSA-N 0 3 185.271 0.398 20 0 ACADHN C[C@H]1CN[C@H](C)CN1C(=O)CC1CC1 83118354 375374528 /nfs/dbraw/zinc/37/45/28/375374528.db2.gz WCTCOPJUCCGASQ-BDAKNGLRSA-N 0 3 196.294 0.995 20 0 ACADHN CC(C)NC(=O)N1C[C@@H](C)NC[C@@H]1C 83118454 375374630 /nfs/dbraw/zinc/37/46/30/375374630.db2.gz KIQFUSFZNYYFKD-BDAKNGLRSA-N 0 3 199.298 0.787 20 0 ACADHN CC(C)NC(=O)N1C[C@@H](C)NC[C@H]1C 83118453 375374727 /nfs/dbraw/zinc/37/47/27/375374727.db2.gz KIQFUSFZNYYFKD-RKDXNWHRSA-N 0 3 199.298 0.787 20 0 ACADHN C[C@@H]1CN(C(=O)CC2CC2)[C@H](C)CN1 83118353 375374735 /nfs/dbraw/zinc/37/47/35/375374735.db2.gz WCTCOPJUCCGASQ-RKDXNWHRSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1CN(C(=O)CC2CC2)[C@H](C)CN1 83118355 375374791 /nfs/dbraw/zinc/37/47/91/375374791.db2.gz WCTCOPJUCCGASQ-DTWKUNHWSA-N 0 3 196.294 0.995 20 0 ACADHN CC1(C)CCCN(C(=O)CN)CC1 83680471 375378052 /nfs/dbraw/zinc/37/80/52/375378052.db2.gz RKHXLIVHESLYGM-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN CC1(C)CCCN(CC(N)=O)CC1 83680981 375378652 /nfs/dbraw/zinc/37/86/52/375378652.db2.gz IFKVHEAXOAHRJZ-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN NC(=O)CN1CCC[C@H]2CCC[C@H]21 83701983 375379443 /nfs/dbraw/zinc/37/94/43/375379443.db2.gz LFDJTDIUCSWXIK-RKDXNWHRSA-N 0 3 182.267 0.736 20 0 ACADHN NC(=O)CN1CCC[C@@H]2CCC[C@H]21 83701988 375379828 /nfs/dbraw/zinc/37/98/28/375379828.db2.gz LFDJTDIUCSWXIK-DTWKUNHWSA-N 0 3 182.267 0.736 20 0 ACADHN CNCC(=O)N1CCC[C@H]2CCC[C@H]21 83700906 375379978 /nfs/dbraw/zinc/37/99/78/375379978.db2.gz MTGIMDPTAQWUAB-NXEZZACHSA-N 0 3 196.294 0.997 20 0 ACADHN CNCC(=O)N1CCC[C@H]2CCC[C@@H]21 83700899 375380012 /nfs/dbraw/zinc/38/00/12/375380012.db2.gz MTGIMDPTAQWUAB-ZJUUUORDSA-N 0 3 196.294 0.997 20 0 ACADHN CNCC(=O)N1CCC[C@@H]2CCC[C@H]21 83700908 375380515 /nfs/dbraw/zinc/38/05/15/375380515.db2.gz MTGIMDPTAQWUAB-VHSXEESVSA-N 0 3 196.294 0.997 20 0 ACADHN CNCC(=O)N1CCC[C@@H]2CCC[C@@H]21 83700903 375380541 /nfs/dbraw/zinc/38/05/41/375380541.db2.gz MTGIMDPTAQWUAB-UWVGGRQHSA-N 0 3 196.294 0.997 20 0 ACADHN C[C@H]1C[C@H]1NC(=O)C1(N)CC1 83835843 375382143 /nfs/dbraw/zinc/38/21/43/375382143.db2.gz QVYPWGMXUYKPMX-NTSWFWBYSA-N 0 3 154.213 0.002 20 0 ACADHN CN(CC(C)(C)C)C(=O)C1(N)CC1 83835690 375382215 /nfs/dbraw/zinc/38/22/15/375382215.db2.gz DPORNOIRNAUSPC-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN C[C@H]1CCC[C@@H]1NC(=O)C1(N)CC1 83836077 375382227 /nfs/dbraw/zinc/38/22/27/375382227.db2.gz WLXIFKMHMCVTFH-YUMQZZPRSA-N 0 3 182.267 0.783 20 0 ACADHN CN(Cc1ccco1)C(=O)C1(N)CC1 83834213 375382267 /nfs/dbraw/zinc/38/22/67/375382267.db2.gz JBKDBUCEXALDMC-UHFFFAOYSA-N 0 3 194.234 0.729 20 0 ACADHN Cc1cccc(NC(=O)C2(N)CC2)n1 83834004 375382281 /nfs/dbraw/zinc/38/22/81/375382281.db2.gz SIKKUTMPYWBPDL-UHFFFAOYSA-N 0 3 191.234 0.820 20 0 ACADHN NC1(C(=O)Nc2cccc(O)c2)CC1 83835283 375382294 /nfs/dbraw/zinc/38/22/94/375382294.db2.gz HSPIZCVKUPJXHT-UHFFFAOYSA-N 0 3 192.218 0.822 20 0 ACADHN NC1(C(=O)Nc2ccc(O)cc2)CC1 83834637 375382313 /nfs/dbraw/zinc/38/23/13/375382313.db2.gz GFGSOPJPRGBVIN-UHFFFAOYSA-N 0 3 192.218 0.822 20 0 ACADHN C[C@@H]1CCCN1C(=O)C1(N)CC1 83835043 375382325 /nfs/dbraw/zinc/38/23/25/375382325.db2.gz XQAIXSDDIPGYHY-SSDOTTSWSA-N 0 3 168.240 0.489 20 0 ACADHN Cc1cnccc1NC(=O)C1(N)CC1 83836165 375382358 /nfs/dbraw/zinc/38/23/58/375382358.db2.gz KNKXUZKPXBAMKG-UHFFFAOYSA-N 0 3 191.234 0.820 20 0 ACADHN CN(CC1CCC1)C(=O)C1(N)CC1 83835942 375382367 /nfs/dbraw/zinc/38/23/67/375382367.db2.gz XCLHGHWELLSBMG-UHFFFAOYSA-N 0 3 182.267 0.736 20 0 ACADHN C[C@@H]1C[C@@H]1NC(=O)C1(N)CC1 83835836 375382415 /nfs/dbraw/zinc/38/24/15/375382415.db2.gz QVYPWGMXUYKPMX-RITPCOANSA-N 0 3 154.213 0.002 20 0 ACADHN NC1(C(=O)N2CCSCC2)CC1 83834031 375382442 /nfs/dbraw/zinc/38/24/42/375382442.db2.gz FOEWPCJNJNVMQQ-UHFFFAOYSA-N 0 3 186.280 0.053 20 0 ACADHN C[C@@H]1CCC[C@H]1NC(=O)C1(N)CC1 83836080 375382476 /nfs/dbraw/zinc/38/24/76/375382476.db2.gz WLXIFKMHMCVTFH-HTQZYQBOSA-N 0 3 182.267 0.783 20 0 ACADHN CC1(C)CN(C(=O)C2(N)CC2)CCO1 83834413 375382511 /nfs/dbraw/zinc/38/25/11/375382511.db2.gz CHYHDTFXCYIQMK-UHFFFAOYSA-N 0 3 198.266 0.115 20 0 ACADHN NC1(C(=O)NCC2CCC2)CC1 83834127 375382611 /nfs/dbraw/zinc/38/26/11/375382611.db2.gz OSQIGDWOPKYIGT-UHFFFAOYSA-N 0 3 168.240 0.394 20 0 ACADHN NC1(C(=O)NC[C@H]2CCCCO2)CC1 83835601 375382629 /nfs/dbraw/zinc/38/26/29/375382629.db2.gz ZLHJVKAQLQLFFF-MRVPVSSYSA-N 0 3 198.266 0.163 20 0 ACADHN C[C@H]1CCC[C@H]1NC(=O)C1(N)CC1 83836081 375382658 /nfs/dbraw/zinc/38/26/58/375382658.db2.gz WLXIFKMHMCVTFH-JGVFFNPUSA-N 0 3 182.267 0.783 20 0 ACADHN CC[C@@H]1CN(C(=O)C2(N)CC2)CCO1 83834291 375382703 /nfs/dbraw/zinc/38/27/03/375382703.db2.gz POTXJICJBOSPLP-MRVPVSSYSA-N 0 3 198.266 0.115 20 0 ACADHN CN(C(=O)C1(N)CC1)C1CC1 83834097 375382717 /nfs/dbraw/zinc/38/27/17/375382717.db2.gz GODSIICKZHHEMW-UHFFFAOYSA-N 0 3 154.213 0.099 20 0 ACADHN CC(C)CN(C)C(=O)C1(N)CC1 83834106 375382772 /nfs/dbraw/zinc/38/27/72/375382772.db2.gz RTYNDGOGDQHIIM-UHFFFAOYSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@@H]1CCC[C@@H]1NC(=O)C1(N)CC1 83836075 375382802 /nfs/dbraw/zinc/38/28/02/375382802.db2.gz WLXIFKMHMCVTFH-SFYZADRCSA-N 0 3 182.267 0.783 20 0 ACADHN C[C@@H]1CCN(C(=O)C2(N)CC2)C1 83835312 375382828 /nfs/dbraw/zinc/38/28/28/375382828.db2.gz DCHDNYYRGJSNSB-SSDOTTSWSA-N 0 3 168.240 0.346 20 0 ACADHN CC(C)(C)CNC(=O)C1(N)CC1 83835282 375382851 /nfs/dbraw/zinc/38/28/51/375382851.db2.gz KWOSFRJPSGAYEQ-UHFFFAOYSA-N 0 3 170.256 0.640 20 0 ACADHN CSCCCNC(=O)C1(N)CC1 83836256 375382880 /nfs/dbraw/zinc/38/28/80/375382880.db2.gz OEPOKKSKSXGLQR-UHFFFAOYSA-N 0 3 188.296 0.347 20 0 ACADHN Cc1csc(NC(=O)C2(N)CC2)n1 83833979 375382894 /nfs/dbraw/zinc/38/28/94/375382894.db2.gz VUULPHRQEAGTTR-UHFFFAOYSA-N 0 3 197.263 0.881 20 0 ACADHN CCn1cc(NC(=O)C2(N)CC2)cn1 83834257 375382969 /nfs/dbraw/zinc/38/29/69/375382969.db2.gz WMTJKTGCEGXOJE-UHFFFAOYSA-N 0 3 194.238 0.333 20 0 ACADHN CN(C(=O)C1(N)CC1)C1CCCC1 83834101 375383002 /nfs/dbraw/zinc/38/30/02/375383002.db2.gz YIZYYFYEMSLSTJ-UHFFFAOYSA-N 0 3 182.267 0.879 20 0 ACADHN C[C@H]1CCN(C(=O)C2(N)CC2)C1 83835314 375383013 /nfs/dbraw/zinc/38/30/13/375383013.db2.gz DCHDNYYRGJSNSB-ZETCQYMHSA-N 0 3 168.240 0.346 20 0 ACADHN Cc1ccncc1NC(=O)C1(N)CC1 83836100 375383026 /nfs/dbraw/zinc/38/30/26/375383026.db2.gz LTWBTHOOGYECNQ-UHFFFAOYSA-N 0 3 191.234 0.820 20 0 ACADHN NC1(C(=O)NC[C@@H]2CCCCO2)CC1 83835599 375383036 /nfs/dbraw/zinc/38/30/36/375383036.db2.gz ZLHJVKAQLQLFFF-QMMMGPOBSA-N 0 3 198.266 0.163 20 0 ACADHN C[C@H]1CCCN1C(=O)C1(N)CC1 83835045 375383062 /nfs/dbraw/zinc/38/30/62/375383062.db2.gz XQAIXSDDIPGYHY-ZETCQYMHSA-N 0 3 168.240 0.489 20 0 ACADHN NC1(C(=O)NC2CCC2)CC1 83835834 375383076 /nfs/dbraw/zinc/38/30/76/375383076.db2.gz UVWJFXAAMASFFZ-UHFFFAOYSA-N 0 3 154.213 0.146 20 0 ACADHN CN(CC(F)(F)F)C(=O)C1(N)CC1 83834694 375383172 /nfs/dbraw/zinc/38/31/72/375383172.db2.gz AGMCKTLEZBPIEH-UHFFFAOYSA-N 0 3 196.172 0.498 20 0 ACADHN NC1(C(=O)NCC2CCCC2)CC1 83834141 375383232 /nfs/dbraw/zinc/38/32/32/375383232.db2.gz YUTQPXNAVAGADA-UHFFFAOYSA-N 0 3 182.267 0.784 20 0 ACADHN CCCN(C)C(=O)C1(N)CC1 83834105 375383246 /nfs/dbraw/zinc/38/32/46/375383246.db2.gz NKMVJUXUDNXJQM-UHFFFAOYSA-N 0 3 156.229 0.346 20 0 ACADHN C[C@@H]1C[C@H]1NC(=O)C1(N)CC1 83835840 375383357 /nfs/dbraw/zinc/38/33/57/375383357.db2.gz QVYPWGMXUYKPMX-PHDIDXHHSA-N 0 3 154.213 0.002 20 0 ACADHN NC1(C(=O)NCc2ccsc2)CC1 83836069 375383475 /nfs/dbraw/zinc/38/34/75/375383475.db2.gz GENLQPBKXRPALX-UHFFFAOYSA-N 0 3 196.275 0.856 20 0 ACADHN CC[C@H]1CN(C(=O)C2(N)CC2)CCO1 83834293 375383487 /nfs/dbraw/zinc/38/34/87/375383487.db2.gz POTXJICJBOSPLP-QMMMGPOBSA-N 0 3 198.266 0.115 20 0 ACADHN C[C@H]1C[C@@H]1NC(=O)C1(N)CC1 83835838 375383509 /nfs/dbraw/zinc/38/35/09/375383509.db2.gz QVYPWGMXUYKPMX-WDSKDSINSA-N 0 3 154.213 0.002 20 0 ACADHN C[C@@H](N)C(=O)Nc1ccc(F)cn1 83853150 375384073 /nfs/dbraw/zinc/38/40/73/375384073.db2.gz NLXUNILOGKOISN-RXMQYKEDSA-N 0 3 183.186 0.506 20 0 ACADHN CC(C)(NC(=O)CN)c1ccccc1 83889238 375384425 /nfs/dbraw/zinc/38/44/25/375384425.db2.gz DWDGLLCNUGQOGN-UHFFFAOYSA-N 0 3 192.262 0.997 20 0 ACADHN CC[C@H](N)C(=O)Nc1ccc(F)cn1 83853151 375384463 /nfs/dbraw/zinc/38/44/63/375384463.db2.gz WSDKRVQLXXVENG-ZETCQYMHSA-N 0 3 197.213 0.897 20 0 ACADHN NC1(C(=O)Nc2ccc(F)cn2)CC1 83853120 375384602 /nfs/dbraw/zinc/38/46/02/375384602.db2.gz LUKFPMZSEZNZIV-UHFFFAOYSA-N 0 3 195.197 0.651 20 0 ACADHN C[C@H](N)C(=O)Nc1ccc(F)cn1 83853131 375384615 /nfs/dbraw/zinc/38/46/15/375384615.db2.gz NLXUNILOGKOISN-YFKPBYRVSA-N 0 3 183.186 0.506 20 0 ACADHN Cc1cnccc1CNC(=O)[C@@H](C)N 83884908 375384705 /nfs/dbraw/zinc/38/47/05/375384705.db2.gz ZJUHFSRGELBLFH-MRVPVSSYSA-N 0 3 193.250 0.353 20 0 ACADHN Cc1cnccc1CNC(=O)[C@H](C)N 83884909 375384802 /nfs/dbraw/zinc/38/48/02/375384802.db2.gz ZJUHFSRGELBLFH-QMMMGPOBSA-N 0 3 193.250 0.353 20 0 ACADHN CNCC(=O)N1CCC(C)(C)C1 83928689 375386205 /nfs/dbraw/zinc/38/62/05/375386205.db2.gz BBGQQSGDWRFGHX-UHFFFAOYSA-N 0 3 170.256 0.464 20 0 ACADHN CC(C)(N)C(=O)N[C@@H]1CC=CCC1 84067128 375386667 /nfs/dbraw/zinc/38/66/67/375386667.db2.gz FTBLGVHGORBHBA-MRVPVSSYSA-N 0 3 182.267 0.949 20 0 ACADHN C[C@@H]1C[C@@H](NC(=O)N(C)C)CCN1C 126104470 375393326 /nfs/dbraw/zinc/39/33/26/375393326.db2.gz IANOOPNNPHPZCB-BDAKNGLRSA-N 0 3 199.298 0.740 20 0 ACADHN C[C@@H]1C[C@H](NC(=O)N(C)C)CCN1C 126103936 375393429 /nfs/dbraw/zinc/39/34/29/375393429.db2.gz IANOOPNNPHPZCB-RKDXNWHRSA-N 0 3 199.298 0.740 20 0 ACADHN NCC(=O)NCCc1ccccc1O 169806993 375400468 /nfs/dbraw/zinc/40/04/68/375400468.db2.gz NKUCRUFCSISLDX-UHFFFAOYSA-N 0 3 194.234 0.010 20 0 ACADHN CC(C)NC1(C(N)=O)CC1 202218892 375409852 /nfs/dbraw/zinc/40/98/52/375409852.db2.gz WCCFNPVNBIOKLF-UHFFFAOYSA-N 0 3 142.202 0.002 20 0 ACADHN COCCN(C)CCCNC(C)=O 203022685 375410949 /nfs/dbraw/zinc/41/09/49/375410949.db2.gz ZKXKHJPRMNLDNF-UHFFFAOYSA-N 0 3 188.271 0.091 20 0 ACADHN O[C@@H]1COC[C@@H]1N1CCCCC1 204914748 375413062 /nfs/dbraw/zinc/41/30/62/375413062.db2.gz BFXAOKBKIXUCQK-DTWKUNHWSA-N 0 3 171.240 0.232 20 0 ACADHN NCc1cnn2ccc(Cl)nc12 238572739 375429309 /nfs/dbraw/zinc/42/93/09/375429309.db2.gz INYFBHOYTNONJV-UHFFFAOYSA-N 0 3 182.614 0.841 20 0 ACADHN Fc1ccc2c(n1)CCNC2 238614320 375430341 /nfs/dbraw/zinc/43/03/41/375430341.db2.gz QASAKLHDRDXUDP-UHFFFAOYSA-N 0 3 152.172 0.866 20 0 ACADHN C[C@@H](N)C(=O)N[C@H]1CCCOCC1 306155306 375441199 /nfs/dbraw/zinc/44/11/99/375441199.db2.gz HJBNPASEAMKRKJ-SFYZADRCSA-N 0 3 186.255 0.019 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1CCCOCC1 306155304 375441281 /nfs/dbraw/zinc/44/12/81/375441281.db2.gz HJBNPASEAMKRKJ-HTQZYQBOSA-N 0 3 186.255 0.019 20 0 ACADHN C[C@@H]1CCN(CC(=O)N2CCC2)C1 306555010 375453271 /nfs/dbraw/zinc/45/32/71/375453271.db2.gz KWXJMZPIPOQZRQ-SECBINFHSA-N 0 3 182.267 0.561 20 0 ACADHN C[C@@H]1CN(CCCO)[C@H](C)CN1C 306555284 375453336 /nfs/dbraw/zinc/45/33/36/375453336.db2.gz BUVZKPUEMIYRBL-NXEZZACHSA-N 0 3 186.299 0.393 20 0 ACADHN C[C@@H]1CCCN(CCNC(N)=O)C1 306672474 375457228 /nfs/dbraw/zinc/45/72/28/375457228.db2.gz MBXLGAQZMDSKIG-MRVPVSSYSA-N 0 3 185.271 0.387 20 0 ACADHN OCCN1CCOCC2(CCC2)C1 306970603 375462440 /nfs/dbraw/zinc/46/24/40/375462440.db2.gz QXISXLRHJAIPSC-UHFFFAOYSA-N 0 3 185.267 0.481 20 0 ACADHN C[C@@H]1CC[C@H](NC2(C(N)=O)CC2)C1 306970028 375462421 /nfs/dbraw/zinc/46/24/21/375462421.db2.gz SYBULXJRQCSAIN-SFYZADRCSA-N 0 3 182.267 0.783 20 0 ACADHN CC[C@H](N)C(=O)N[C@H]1C=CCCC1 307298324 375467274 /nfs/dbraw/zinc/46/72/74/375467274.db2.gz QSFAHZLXZDGOCU-IUCAKERBSA-N 0 3 182.267 0.949 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H]1C=CCCC1 307298323 375467320 /nfs/dbraw/zinc/46/73/20/375467320.db2.gz QSFAHZLXZDGOCU-BDAKNGLRSA-N 0 3 182.267 0.949 20 0 ACADHN Cc1ccnc(CNC[C@H](C)O)c1 328191082 375480325 /nfs/dbraw/zinc/48/03/25/375480325.db2.gz QDFKDAKSOIGDIX-VIFPVBQESA-N 0 3 180.251 0.860 20 0 ACADHN Cc1ccnc(CNC[C@@H](C)O)c1 328191077 375480339 /nfs/dbraw/zinc/48/03/39/375480339.db2.gz QDFKDAKSOIGDIX-SECBINFHSA-N 0 3 180.251 0.860 20 0 ACADHN Cc1ccnc(CNCCC(N)=O)c1 328214483 375480559 /nfs/dbraw/zinc/48/05/59/375480559.db2.gz XOCUHHVLNDEPJN-UHFFFAOYSA-N 0 3 193.250 0.355 20 0 ACADHN CC1CCN(CC(=O)N2CCC2)CC1 336151836 375492007 /nfs/dbraw/zinc/49/20/07/375492007.db2.gz ZQZROLXOCLLOPL-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN CCCCN(C)CC(=O)NCC#N 393591612 375499292 /nfs/dbraw/zinc/49/92/92/375499292.db2.gz SHFQYVQNBYHAPU-UHFFFAOYSA-N 0 3 183.255 0.358 20 0 ACADHN CO[C@H](CN(C)CCO)C1CC1 400249575 375501997 /nfs/dbraw/zinc/50/19/97/375501997.db2.gz BFQJOQZSHUISBD-SECBINFHSA-N 0 3 173.256 0.336 20 0 ACADHN CO[C@@H](CN(C)CCO)C1CC1 400249577 375502371 /nfs/dbraw/zinc/50/23/71/375502371.db2.gz BFQJOQZSHUISBD-VIFPVBQESA-N 0 3 173.256 0.336 20 0 ACADHN CO[C@H](CN(CCO)C1CC1)C1CC1 400278253 375503567 /nfs/dbraw/zinc/50/35/67/375503567.db2.gz PVZUZJNZNXVBTD-LLVKDONJSA-N 0 3 199.294 0.868 20 0 ACADHN CO[C@@H](CN(CCO)C1CC1)C1CC1 400278254 375503600 /nfs/dbraw/zinc/50/36/00/375503600.db2.gz PVZUZJNZNXVBTD-NSHDSACASA-N 0 3 199.294 0.868 20 0 ACADHN CO[C@@H](CN1CCN(C)CC1)C1CC1 400319154 375503950 /nfs/dbraw/zinc/50/39/50/375503950.db2.gz XIJRUSKUWIWDTC-NSHDSACASA-N 0 3 198.310 0.659 20 0 ACADHN CO[C@H](CN1CCN(C)CC1)C1CC1 400319153 375504094 /nfs/dbraw/zinc/50/40/94/375504094.db2.gz XIJRUSKUWIWDTC-LLVKDONJSA-N 0 3 198.310 0.659 20 0 ACADHN OCCCN(CCO)CC1=CCCC1 401139857 375511728 /nfs/dbraw/zinc/51/17/28/375511728.db2.gz GFWHFQFKZUEYBE-UHFFFAOYSA-N 0 3 199.294 0.773 20 0 ACADHN C[C@H](O)CN(CCO)CC1=CCCC1 401042709 375511906 /nfs/dbraw/zinc/51/19/06/375511906.db2.gz KKAZOHAJXAPRHC-JTQLQIEISA-N 0 3 199.294 0.772 20 0 ACADHN OCCN(CCO)CC1=CCCC1 401066376 375512175 /nfs/dbraw/zinc/51/21/75/375512175.db2.gz WYDMMPSMFKOZQH-UHFFFAOYSA-N 0 3 185.267 0.383 20 0 ACADHN C[C@@H](O)CN(CCO)CC1=CCCC1 401042712 375512296 /nfs/dbraw/zinc/51/22/96/375512296.db2.gz KKAZOHAJXAPRHC-SNVBAGLBSA-N 0 3 199.294 0.772 20 0 ACADHN C[C@@H]1C[C@@H](NCC(=O)NC2CC2)CO1 401933490 375520862 /nfs/dbraw/zinc/52/08/62/375520862.db2.gz YLSLBCIJCMUEKT-VXNVDRBHSA-N 0 3 198.266 0.032 20 0 ACADHN C[C@@H]1C[C@H](NCC(=O)NC2CC2)CO1 401933487 375520925 /nfs/dbraw/zinc/52/09/25/375520925.db2.gz YLSLBCIJCMUEKT-APPZFPTMSA-N 0 3 198.266 0.032 20 0 ACADHN C[C@H]1C[C@@H](NCC(=O)NC2CC2)CO1 401933489 375520946 /nfs/dbraw/zinc/52/09/46/375520946.db2.gz YLSLBCIJCMUEKT-IONNQARKSA-N 0 3 198.266 0.032 20 0 ACADHN C[C@H]1C[C@H](NCC(=O)NC2CC2)CO1 401933488 375521093 /nfs/dbraw/zinc/52/10/93/375521093.db2.gz YLSLBCIJCMUEKT-CBAPKCEASA-N 0 3 198.266 0.032 20 0 ACADHN COC[C@@H](C)N[C@@H]1COC[C@H]1OC 646042906 375570517 /nfs/dbraw/zinc/57/05/17/375570517.db2.gz IGZUQORSXVHZMY-IWSPIJDZSA-N 0 3 189.255 0.025 20 0 ACADHN C[C@@H](O)CN(C)CCc1cnccn1 402888301 375526004 /nfs/dbraw/zinc/52/60/04/375526004.db2.gz DCCBUFSWBPSOBJ-SECBINFHSA-N 0 3 195.266 0.332 20 0 ACADHN C[C@H](CO)N(C)CCc1cnccn1 402891131 375526040 /nfs/dbraw/zinc/52/60/40/375526040.db2.gz FMZCLZRQQOKBCQ-SECBINFHSA-N 0 3 195.266 0.332 20 0 ACADHN CCN(CCO)CCc1cnccn1 402897151 375526255 /nfs/dbraw/zinc/52/62/55/375526255.db2.gz IWNKDAKXXOQRQR-UHFFFAOYSA-N 0 3 195.266 0.333 20 0 ACADHN O[C@@H]1CCN(CCc2cnccn2)C1 402922397 375526363 /nfs/dbraw/zinc/52/63/63/375526363.db2.gz OYCRMJASKACXPW-SNVBAGLBSA-N 0 3 193.250 0.086 20 0 ACADHN O[C@H]1CCN(CCc2cnccn2)C1 402922391 375526413 /nfs/dbraw/zinc/52/64/13/375526413.db2.gz OYCRMJASKACXPW-JTQLQIEISA-N 0 3 193.250 0.086 20 0 ACADHN CNCC(=O)N(C)CC(C)(C)OC 404226202 375532526 /nfs/dbraw/zinc/53/25/26/375532526.db2.gz CGPNSXYMQWVJOM-UHFFFAOYSA-N 0 3 188.271 0.089 20 0 ACADHN COC(C)(C)CN(C)C(=O)[C@@H](C)N 404232268 375532555 /nfs/dbraw/zinc/53/25/55/375532555.db2.gz HXOSZTPQDOZARB-SSDOTTSWSA-N 0 3 188.271 0.217 20 0 ACADHN Cc1cc(CN[C@H](C)CO)sn1 404443228 375532777 /nfs/dbraw/zinc/53/27/77/375532777.db2.gz IUOJRELMOKIYDA-SSDOTTSWSA-N 0 3 186.280 0.922 20 0 ACADHN Cc1cc(CN[C@@H](C)CO)sn1 404443231 375532788 /nfs/dbraw/zinc/53/27/88/375532788.db2.gz IUOJRELMOKIYDA-ZETCQYMHSA-N 0 3 186.280 0.922 20 0 ACADHN COC(C)(C)CN(C)C(=O)[C@H](C)N 404232269 375533052 /nfs/dbraw/zinc/53/30/52/375533052.db2.gz HXOSZTPQDOZARB-ZETCQYMHSA-N 0 3 188.271 0.217 20 0 ACADHN C[C@H](CO)CNCc1ccns1 404468655 375533869 /nfs/dbraw/zinc/53/38/69/375533869.db2.gz OJGAVIXSDOUCHL-ZETCQYMHSA-N 0 3 186.280 0.861 20 0 ACADHN C[C@@H](CO)CNCc1ccns1 404468654 375534048 /nfs/dbraw/zinc/53/40/48/375534048.db2.gz OJGAVIXSDOUCHL-SSDOTTSWSA-N 0 3 186.280 0.861 20 0 ACADHN Cc1cc(CNCCO)sn1 404453605 375534209 /nfs/dbraw/zinc/53/42/09/375534209.db2.gz KLHPYKLYYZYMHP-UHFFFAOYSA-N 0 3 172.253 0.533 20 0 ACADHN Cc1cc(CNCCCO)sn1 404475113 375534295 /nfs/dbraw/zinc/53/42/95/375534295.db2.gz PYHHSSCYLTVCKY-UHFFFAOYSA-N 0 3 186.280 0.924 20 0 ACADHN Cc1cc(CNC[C@H](C)O)sn1 404471552 375534338 /nfs/dbraw/zinc/53/43/38/375534338.db2.gz LZTRBCUBPFHXDX-ZETCQYMHSA-N 0 3 186.280 0.922 20 0 ACADHN C[C@@H](O)CNCc1ccns1 404487798 375535197 /nfs/dbraw/zinc/53/51/97/375535197.db2.gz DPJYDJRNPIPTSF-ZCFIWIBFSA-N 0 3 172.253 0.614 20 0 ACADHN C[C@H](O)CNCc1ccns1 404487797 375535304 /nfs/dbraw/zinc/53/53/04/375535304.db2.gz DPJYDJRNPIPTSF-LURJTMIESA-N 0 3 172.253 0.614 20 0 ACADHN Cc1noc([C@H]2OCC[C@H]2N)n1 521399016 375538985 /nfs/dbraw/zinc/53/89/85/375538985.db2.gz KOAHKRQYFCBNTI-RITPCOANSA-N 0 3 169.184 0.167 20 0 ACADHN Cc1noc([C@H]2OCC[C@@H]2N)n1 521399017 375539152 /nfs/dbraw/zinc/53/91/52/375539152.db2.gz KOAHKRQYFCBNTI-WDSKDSINSA-N 0 3 169.184 0.167 20 0 ACADHN Cc1noc([C@@H]2OCC[C@@H]2N)n1 521399014 375539191 /nfs/dbraw/zinc/53/91/91/375539191.db2.gz KOAHKRQYFCBNTI-NTSWFWBYSA-N 0 3 169.184 0.167 20 0 ACADHN Cc1noc([C@@H]2OCC[C@H]2N)n1 521399015 375539326 /nfs/dbraw/zinc/53/93/26/375539326.db2.gz KOAHKRQYFCBNTI-PHDIDXHHSA-N 0 3 169.184 0.167 20 0 ACADHN NCc1cc2ccncc2[nH]c1=O 521399500 375540319 /nfs/dbraw/zinc/54/03/19/375540319.db2.gz PETXACJYGKQTPN-UHFFFAOYSA-N 0 3 175.191 0.794 20 0 ACADHN NCc1cc2cnccc2[nH]c1=O 521399405 375540363 /nfs/dbraw/zinc/54/03/63/375540363.db2.gz DEKLYWINNLEWSH-UHFFFAOYSA-N 0 3 175.191 0.382 20 0 ACADHN COC(=O)c1cc(CN)ncc1F 521399707 375541931 /nfs/dbraw/zinc/54/19/31/375541931.db2.gz IGFLZTGIQIUXOK-UHFFFAOYSA-N 0 3 184.170 0.466 20 0 ACADHN COC(=O)c1cccc(OC)c1CN 521400098 375541969 /nfs/dbraw/zinc/54/19/69/375541969.db2.gz APYCQCLMHFSGMU-UHFFFAOYSA-N 0 3 195.218 0.941 20 0 ACADHN CN1CC[C@H](N2C3CCC2CC3)C1=O 585383420 375558295 /nfs/dbraw/zinc/55/82/95/375558295.db2.gz FLKPBCKZLKZICG-RTBKNWGFSA-N 0 3 194.278 0.844 20 0 ACADHN CN1CC[C@@H](N2C3CCC2CC3)C1=O 585383421 375558366 /nfs/dbraw/zinc/55/83/66/375558366.db2.gz FLKPBCKZLKZICG-UDNWOFFPSA-N 0 3 194.278 0.844 20 0 ACADHN CO[C@@H]1COC[C@H]1NC[C@@H](C)OC 646044391 375570239 /nfs/dbraw/zinc/57/02/39/375570239.db2.gz ZGWYCVNNZGFBIP-IWSPIJDZSA-N 0 3 189.255 0.025 20 0 ACADHN CO[C@@H](C)CN[C@@H]1COC[C@H]1OC 646044390 375570262 /nfs/dbraw/zinc/57/02/62/375570262.db2.gz ZGWYCVNNZGFBIP-DJLDLDEBSA-N 0 3 189.255 0.025 20 0 ACADHN CO[C@@H]1COC[C@H]1NCCCF 646042981 375570278 /nfs/dbraw/zinc/57/02/78/375570278.db2.gz UKESAUQPOAYPDR-HTQZYQBOSA-N 0 3 177.219 0.349 20 0 ACADHN CCOCCN[C@@H]1COC[C@H]1OC 646042282 375570380 /nfs/dbraw/zinc/57/03/80/375570380.db2.gz AJWMSQXZRJZXSN-RKDXNWHRSA-N 0 3 189.255 0.026 20 0 ACADHN COC[C@H](C)N[C@@H]1COC[C@H]1OC 646042905 375570384 /nfs/dbraw/zinc/57/03/84/375570384.db2.gz IGZUQORSXVHZMY-DJLDLDEBSA-N 0 3 189.255 0.025 20 0 ACADHN CO[C@@H]1COC[C@H]1NCC=C(C)C 646042322 375570525 /nfs/dbraw/zinc/57/05/25/375570525.db2.gz FBNOHPLDEGXIIQ-NXEZZACHSA-N 0 3 185.267 0.956 20 0 ACADHN CC(=O)NCCN(C)CCCF 646045758 375571286 /nfs/dbraw/zinc/57/12/86/375571286.db2.gz PBIHTZMPHXRGSJ-UHFFFAOYSA-N 0 3 176.235 0.414 20 0 ACADHN CC(=O)NCCN(C)CCCCF 646047327 375571748 /nfs/dbraw/zinc/57/17/48/375571748.db2.gz JKEYOJMWNIJMGK-UHFFFAOYSA-N 0 3 190.262 0.804 20 0 ACADHN OCCCN1CCOC[C@@H]1C1CCC1 646061204 375572024 /nfs/dbraw/zinc/57/20/24/375572024.db2.gz VYXBLYZZIQQRTC-LLVKDONJSA-N 0 3 199.294 0.870 20 0 ACADHN OCCCN1CCOC[C@H]1C1CCC1 646061205 375573688 /nfs/dbraw/zinc/57/36/88/375573688.db2.gz VYXBLYZZIQQRTC-NSHDSACASA-N 0 3 199.294 0.870 20 0 ACADHN CN(CC(=O)NC1CC1)C(C)(C)C 646087361 375574873 /nfs/dbraw/zinc/57/48/73/375574873.db2.gz ZDYCKSVJPZIRLJ-UHFFFAOYSA-N 0 3 184.283 0.995 20 0 ACADHN CNC(=O)CN(C)C(C)(C)C 646087742 375575139 /nfs/dbraw/zinc/57/51/39/375575139.db2.gz DFCFWIOAXDMYGI-UHFFFAOYSA-N 0 3 158.245 0.463 20 0 ACADHN CCNC(=O)CN(C)C(C)(C)C 646087309 375575798 /nfs/dbraw/zinc/57/57/98/375575798.db2.gz PETZDOSRDDKOOV-UHFFFAOYSA-N 0 3 172.272 0.853 20 0 ACADHN CCN(Cc1cn[nH]c1)[C@@H](C)CO 646263493 375587125 /nfs/dbraw/zinc/58/71/25/375587125.db2.gz VHIKDZGQLUYZQW-QMMMGPOBSA-N 0 3 183.255 0.612 20 0 ACADHN CCN(Cc1c[nH]nc1C)[C@@H](C)CO 646263452 375587698 /nfs/dbraw/zinc/58/76/98/375587698.db2.gz BXMGEHDHXFDAFO-QMMMGPOBSA-N 0 3 197.282 0.921 20 0 ACADHN CNCC(=O)N[C@@H]1C[C@H]1C1CCC1 646390367 375589957 /nfs/dbraw/zinc/58/99/57/375589957.db2.gz KWENGAUDOMFXSX-DTWKUNHWSA-N 0 3 182.267 0.511 20 0 ACADHN C[C@@H](N)C(=O)NC[C@@H]1C[C@H]1C1CCC1 646389548 375590170 /nfs/dbraw/zinc/59/01/70/375590170.db2.gz LFYRTWXQCJKXIB-JEZHCXPESA-N 0 3 196.294 0.886 20 0 ACADHN CNCC(=O)NC[C@@H]1C[C@H]1C1CCC1 646389594 375590285 /nfs/dbraw/zinc/59/02/85/375590285.db2.gz PSIYCZLJXHJMDL-UWVGGRQHSA-N 0 3 196.294 0.758 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1C[C@H]1C1CCC1 646390271 375590408 /nfs/dbraw/zinc/59/04/08/375590408.db2.gz DNPCUCAKSBXZPK-CNUIFLNQSA-N 0 3 182.267 0.638 20 0 ACADHN C[C@H](N)C(=O)NC[C@@H]1C[C@H]1C1CCC1 646389547 375590444 /nfs/dbraw/zinc/59/04/44/375590444.db2.gz LFYRTWXQCJKXIB-HGNGGELXSA-N 0 3 196.294 0.886 20 0 ACADHN C[C@@H](N)C(=O)N[C@@H]1C[C@H]1C1CCC1 646390270 375590723 /nfs/dbraw/zinc/59/07/23/375590723.db2.gz DNPCUCAKSBXZPK-BWVDBABLSA-N 0 3 182.267 0.638 20 0 ACADHN CNCC(=O)Nc1ccc(C)[nH]c1=O 646451456 375592483 /nfs/dbraw/zinc/59/24/83/375592483.db2.gz FCNQZSOZDUJKHF-UHFFFAOYSA-N 0 3 195.222 0.254 20 0 ACADHN Cc1ccc(NC(=O)[C@H](C)N)c(=O)[nH]1 646451705 375593059 /nfs/dbraw/zinc/59/30/59/375593059.db2.gz IZUGYWRMMQFMMP-LURJTMIESA-N 0 3 195.222 0.381 20 0 ACADHN Cc1ccc(NC(=O)[C@@H](C)N)c(=O)[nH]1 646451706 375593167 /nfs/dbraw/zinc/59/31/67/375593167.db2.gz IZUGYWRMMQFMMP-ZCFIWIBFSA-N 0 3 195.222 0.381 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H](C)[C@H](C)OC 646551267 375593186 /nfs/dbraw/zinc/59/31/86/375593186.db2.gz NSPBMSMLKSWDDW-BIIVOSGPSA-N 0 3 188.271 0.263 20 0 ACADHN CO[C@@H](C)[C@H](C)NC(=O)C(C)(C)N 646551872 375593544 /nfs/dbraw/zinc/59/35/44/375593544.db2.gz LIKXGYPJUIXLGF-BQBZGAKWSA-N 0 3 188.271 0.263 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H](C)[C@@H](C)OC 646551268 375593798 /nfs/dbraw/zinc/59/37/98/375593798.db2.gz NSPBMSMLKSWDDW-XLPZGREQSA-N 0 3 188.271 0.263 20 0 ACADHN C[C@H](N)C(=O)NCCC1(C)CC1 646556043 375593828 /nfs/dbraw/zinc/59/38/28/375593828.db2.gz AIKUEEOOHSMPEZ-ZETCQYMHSA-N 0 3 170.256 0.640 20 0 ACADHN CNCC(=O)NCCC1(C)CC1 646556095 375593840 /nfs/dbraw/zinc/59/38/40/375593840.db2.gz LLHMCOFYHMOEPQ-UHFFFAOYSA-N 0 3 170.256 0.512 20 0 ACADHN CO[C@H](C)[C@H](C)NC(=O)C(C)(C)N 646551873 375593905 /nfs/dbraw/zinc/59/39/05/375593905.db2.gz LIKXGYPJUIXLGF-NKWVEPMBSA-N 0 3 188.271 0.263 20 0 ACADHN C[C@@H](N)C(=O)NCCC1(C)CC1 646556042 375593974 /nfs/dbraw/zinc/59/39/74/375593974.db2.gz AIKUEEOOHSMPEZ-SSDOTTSWSA-N 0 3 170.256 0.640 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H](C)[C@H](C)OC 646552035 375594005 /nfs/dbraw/zinc/59/40/05/375594005.db2.gz NSPBMSMLKSWDDW-FXQIFTODSA-N 0 3 188.271 0.263 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H](C)[C@@H](C)OC 646552036 375594014 /nfs/dbraw/zinc/59/40/14/375594014.db2.gz NSPBMSMLKSWDDW-RNJXMRFFSA-N 0 3 188.271 0.263 20 0 ACADHN CC(=O)c1ccc(C(=O)NCCN)o1 646572389 375594911 /nfs/dbraw/zinc/59/49/11/375594911.db2.gz TYDVBIBRZOPAES-UHFFFAOYSA-N 0 3 196.206 0.171 20 0 ACADHN CNCC(=O)Nc1nc(C2CC2)c[nH]1 646564420 375595334 /nfs/dbraw/zinc/59/53/34/375595334.db2.gz DMHIZOKPKNWOKB-UHFFFAOYSA-N 0 3 194.238 0.445 20 0 ACADHN CCCN[C@@H](C)c1nc(CN)no1 647160042 375626765 /nfs/dbraw/zinc/62/67/65/375626765.db2.gz FVBLKZBOJZQGPT-LURJTMIESA-N 0 3 184.243 0.589 20 0 ACADHN CCCN[C@H](C)c1nc(CN)no1 647160043 375627153 /nfs/dbraw/zinc/62/71/53/375627153.db2.gz FVBLKZBOJZQGPT-ZCFIWIBFSA-N 0 3 184.243 0.589 20 0 ACADHN C[C@@H]1C[C@H](N[C@@H]2C=C[C@H](CO)C2)CO1 647193339 375629121 /nfs/dbraw/zinc/62/91/21/375629121.db2.gz VFGBHQZEWNEXEZ-YTWAJWBKSA-N 0 3 197.278 0.690 20 0 ACADHN Cc1cc(CN[C@H]2CO[C@H](C)C2)n[nH]1 647185115 375628815 /nfs/dbraw/zinc/62/88/15/375628815.db2.gz OZXWVNMGKFSDMW-PSASIEDQSA-N 0 3 195.266 0.985 20 0 ACADHN Cc1cc(CN[C@H]2CO[C@H](C)C2)[nH]n1 647185115 375628822 /nfs/dbraw/zinc/62/88/22/375628822.db2.gz OZXWVNMGKFSDMW-PSASIEDQSA-N 0 3 195.266 0.985 20 0 ACADHN COCC1(N[C@@H]2CO[C@H](C)C2)CC1 647193087 375628989 /nfs/dbraw/zinc/62/89/89/375628989.db2.gz KLNIONBWLXXJAT-BDAKNGLRSA-N 0 3 185.267 0.932 20 0 ACADHN Cc1cc(CN[C@@H]2CO[C@H](C)C2)n[nH]1 647185116 375629048 /nfs/dbraw/zinc/62/90/48/375629048.db2.gz OZXWVNMGKFSDMW-SCZZXKLOSA-N 0 3 195.266 0.985 20 0 ACADHN Cc1cc(CN[C@@H]2CO[C@H](C)C2)[nH]n1 647185116 375629049 /nfs/dbraw/zinc/62/90/49/375629049.db2.gz OZXWVNMGKFSDMW-SCZZXKLOSA-N 0 3 195.266 0.985 20 0 ACADHN COCC1(N[C@@H]2CO[C@@H](C)C2)CC1 647193089 375629134 /nfs/dbraw/zinc/62/91/34/375629134.db2.gz KLNIONBWLXXJAT-IUCAKERBSA-N 0 3 185.267 0.932 20 0 ACADHN Cc1cc(CN[C@@H]2CO[C@@H](C)C2)n[nH]1 647185118 375629147 /nfs/dbraw/zinc/62/91/47/375629147.db2.gz OZXWVNMGKFSDMW-WPRPVWTQSA-N 0 3 195.266 0.985 20 0 ACADHN Cc1cc(CN[C@@H]2CO[C@@H](C)C2)[nH]n1 647185118 375629149 /nfs/dbraw/zinc/62/91/49/375629149.db2.gz OZXWVNMGKFSDMW-WPRPVWTQSA-N 0 3 195.266 0.985 20 0 ACADHN Cc1cc(CN[C@H]2CO[C@@H](C)C2)n[nH]1 647185117 375629192 /nfs/dbraw/zinc/62/91/92/375629192.db2.gz OZXWVNMGKFSDMW-WCBMZHEXSA-N 0 3 195.266 0.985 20 0 ACADHN Cc1cc(CN[C@H]2CO[C@@H](C)C2)[nH]n1 647185117 375629199 /nfs/dbraw/zinc/62/91/99/375629199.db2.gz OZXWVNMGKFSDMW-WCBMZHEXSA-N 0 3 195.266 0.985 20 0 ACADHN COCC1(N[C@H]2CO[C@@H](C)C2)CC1 647193088 375629211 /nfs/dbraw/zinc/62/92/11/375629211.db2.gz KLNIONBWLXXJAT-DTWKUNHWSA-N 0 3 185.267 0.932 20 0 ACADHN C[C@@H]1C[C@@H](N[C@@H]2C=C[C@H](CO)C2)CO1 647193336 375629319 /nfs/dbraw/zinc/62/93/19/375629319.db2.gz VFGBHQZEWNEXEZ-LMLFDSFASA-N 0 3 197.278 0.690 20 0 ACADHN C[C@H]1C[C@@H](N[C@@H]2C=C[C@H](CO)C2)CO1 647193338 375629376 /nfs/dbraw/zinc/62/93/76/375629376.db2.gz VFGBHQZEWNEXEZ-UKKRHICBSA-N 0 3 197.278 0.690 20 0 ACADHN C[C@H]1C[C@H](N[C@@H]2C=C[C@H](CO)C2)CO1 647193337 375629412 /nfs/dbraw/zinc/62/94/12/375629412.db2.gz VFGBHQZEWNEXEZ-MMWGEVLESA-N 0 3 197.278 0.690 20 0 ACADHN COCC1(N[C@H]2CO[C@H](C)C2)CC1 647193090 375629429 /nfs/dbraw/zinc/62/94/29/375629429.db2.gz KLNIONBWLXXJAT-RKDXNWHRSA-N 0 3 185.267 0.932 20 0 ACADHN CO[C@@H]1COC[C@H]1NCc1cc[nH]c1 647242671 375632528 /nfs/dbraw/zinc/63/25/28/375632528.db2.gz QTHXBGDWLZXTET-NXEZZACHSA-N 0 3 196.250 0.518 20 0 ACADHN CCNC(=O)NC[C@@H]1C[C@H](F)CN1 647305170 375638381 /nfs/dbraw/zinc/63/83/81/375638381.db2.gz UUKRDKWLGBVOHC-BQBZGAKWSA-N 0 3 189.234 0.006 20 0 ACADHN CC(=O)Nc1ccnn1CCN(C)C 647438740 375646494 /nfs/dbraw/zinc/64/64/94/375646494.db2.gz OZPQELLATGELFB-UHFFFAOYSA-N 0 3 196.254 0.403 20 0 ACADHN C[C@@H](O)CNCc1ccccc1CO 647519576 375649230 /nfs/dbraw/zinc/64/92/30/375649230.db2.gz OLSAMHKDEBOMCH-SECBINFHSA-N 0 3 195.262 0.649 20 0 ACADHN C[C@H](O)CNCc1ccccc1CO 647519577 375650307 /nfs/dbraw/zinc/65/03/07/375650307.db2.gz OLSAMHKDEBOMCH-VIFPVBQESA-N 0 3 195.262 0.649 20 0 ACADHN CCCN(C(N)=O)[C@@H]1CCN(C)C1 647638293 375665008 /nfs/dbraw/zinc/66/50/08/375665008.db2.gz BXYIUECVSNDYAH-MRVPVSSYSA-N 0 3 185.271 0.481 20 0 ACADHN CCCN(C(N)=O)[C@H]1CCN(C)C1 647638294 375665447 /nfs/dbraw/zinc/66/54/47/375665447.db2.gz BXYIUECVSNDYAH-QMMMGPOBSA-N 0 3 185.271 0.481 20 0 ACADHN COCCCN1CCc2nc[nH]c2C1 647932960 375676560 /nfs/dbraw/zinc/67/65/60/375676560.db2.gz WMIPVSJTLXDFKY-UHFFFAOYSA-N 0 3 195.266 0.804 20 0 ACADHN CCc1nccn1CCc1c[nH]nn1 647917299 375677306 /nfs/dbraw/zinc/67/73/06/375677306.db2.gz LWNKTTGBWUOOAD-UHFFFAOYSA-N 0 3 191.238 0.806 20 0 ACADHN COCCCN1CCn2cncc2C1 647938197 375678155 /nfs/dbraw/zinc/67/81/55/375678155.db2.gz UTJRRMVKODHSFE-UHFFFAOYSA-N 0 3 195.266 0.735 20 0 ACADHN c1[nH]nnc1CCN1CCSCC1 647958866 375679738 /nfs/dbraw/zinc/67/97/38/375679738.db2.gz IVTZHXSCOMMNEN-UHFFFAOYSA-N 0 3 198.295 0.396 20 0 ACADHN CC1=CCN(CCc2cn[nH]n2)CC1 647969253 375680773 /nfs/dbraw/zinc/68/07/73/375680773.db2.gz RSABETBXUXVFSQ-UHFFFAOYSA-N 0 3 192.266 0.999 20 0 ACADHN C[C@@H](O)CCN(C)CCc1cn[nH]n1 647965193 375680867 /nfs/dbraw/zinc/68/08/67/375680867.db2.gz LOOROOKAFOICLD-MRVPVSSYSA-N 0 3 198.270 0.050 20 0 ACADHN C[C@H](O)CCN(C)CCc1cn[nH]n1 647965194 375681065 /nfs/dbraw/zinc/68/10/65/375681065.db2.gz LOOROOKAFOICLD-QMMMGPOBSA-N 0 3 198.270 0.050 20 0 ACADHN CC(=O)NCCN(C)CC1(C)CC1 648062953 375687212 /nfs/dbraw/zinc/68/72/12/375687212.db2.gz QHPOTSIVOTWDQR-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN C[C@H](c1cccnc1)N(C)C(=O)CN 648151459 375697796 /nfs/dbraw/zinc/69/77/96/375697796.db2.gz IYOKPAZGUYMESU-MRVPVSSYSA-N 0 3 193.250 0.560 20 0 ACADHN C[C@@H](c1cccnc1)N(C)C(=O)CN 648151461 375697917 /nfs/dbraw/zinc/69/79/17/375697917.db2.gz IYOKPAZGUYMESU-QMMMGPOBSA-N 0 3 193.250 0.560 20 0 ACADHN NCC(=O)Nc1ccc2c(c1)CNC2 648147025 375697955 /nfs/dbraw/zinc/69/79/55/375697955.db2.gz YKAAHDFZUHPPGY-UHFFFAOYSA-N 0 3 191.234 0.187 20 0 ACADHN CC(C)[C@@H](C)N(C(=O)CN)C1CC1 648150241 375697986 /nfs/dbraw/zinc/69/79/86/375697986.db2.gz AMPYTYPGBGEIRI-MRVPVSSYSA-N 0 3 184.283 0.981 20 0 ACADHN CC(C)[C@H](C)N(C(=O)CN)C1CC1 648150242 375698005 /nfs/dbraw/zinc/69/80/05/375698005.db2.gz AMPYTYPGBGEIRI-QMMMGPOBSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@@H]1CN(C(=O)CN)[C@H]2CCCC[C@@H]12 648154649 375699424 /nfs/dbraw/zinc/69/94/24/375699424.db2.gz RZJHTYRCKJUHBT-UTLUCORTSA-N 0 3 196.294 0.982 20 0 ACADHN CC(C)N(CC1CCC1)C(=O)CN 648174284 375699447 /nfs/dbraw/zinc/69/94/47/375699447.db2.gz ZOPSTGWTTGFIOO-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN CCc1ccnc(CNC(=O)CN)c1 648156925 375699482 /nfs/dbraw/zinc/69/94/82/375699482.db2.gz ZHVZJDXDIZNTIJ-UHFFFAOYSA-N 0 3 193.250 0.219 20 0 ACADHN CC1(CCNC(=O)CN)CC1 648174268 375699524 /nfs/dbraw/zinc/69/95/24/375699524.db2.gz XYBYTFMLDKOMLJ-UHFFFAOYSA-N 0 3 156.229 0.252 20 0 ACADHN C[C@@H]1CN(C(=O)CN)[C@@H]2CCCC[C@@H]12 648154647 375699554 /nfs/dbraw/zinc/69/95/54/375699554.db2.gz RZJHTYRCKJUHBT-KXUCPTDWSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@@H]1CN(C(=O)CN)[C@H]2CCCC[C@H]12 648154646 375699619 /nfs/dbraw/zinc/69/96/19/375699619.db2.gz RZJHTYRCKJUHBT-BBBLOLIVSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@@H]1CN(C(=O)CN)[C@@H]2CCCC[C@H]12 648154648 375699627 /nfs/dbraw/zinc/69/96/27/375699627.db2.gz RZJHTYRCKJUHBT-OPRDCNLKSA-N 0 3 196.294 0.982 20 0 ACADHN NCC(=O)NC[C@@H]1C[C@H]1C1CCC1 648179879 375701063 /nfs/dbraw/zinc/70/10/63/375701063.db2.gz HZJZGTAPCSVDIX-IUCAKERBSA-N 0 3 182.267 0.498 20 0 ACADHN CC[C@H](CO)N(C)Cc1c[nH]nc1C 648631693 375726867 /nfs/dbraw/zinc/72/68/67/375726867.db2.gz YOTFPYIIUXBFBH-SNVBAGLBSA-N 0 3 197.282 0.921 20 0 ACADHN CC[C@@H](CO)N(C)Cc1c[nH]nc1C 648631689 375726997 /nfs/dbraw/zinc/72/69/97/375726997.db2.gz YOTFPYIIUXBFBH-JTQLQIEISA-N 0 3 197.282 0.921 20 0 ACADHN C[C@H]1C[C@H]1CN1CCC[C@@H]1C(N)=O 648764765 375744765 /nfs/dbraw/zinc/74/47/65/375744765.db2.gz XKGBDHJSUBGCLJ-XHNCKOQMSA-N 0 3 182.267 0.592 20 0 ACADHN C[C@H]1C[C@@H]1CN1CCC[C@@H]1C(N)=O 648764764 375744929 /nfs/dbraw/zinc/74/49/29/375744929.db2.gz XKGBDHJSUBGCLJ-DJLDLDEBSA-N 0 3 182.267 0.592 20 0 ACADHN C[C@@H]1[C@H](O)CCN1Cc1ccn(C)c1 648800510 375747815 /nfs/dbraw/zinc/74/78/15/375747815.db2.gz DZRKRTKIFWSORC-MWLCHTKSSA-N 0 3 194.278 0.980 20 0 ACADHN C[C@@H]1[C@H](O)CCN1Cc1cccn1C 648800854 375748243 /nfs/dbraw/zinc/74/82/43/375748243.db2.gz VSQPMAZCJWXJCE-MWLCHTKSSA-N 0 3 194.278 0.980 20 0 ACADHN CCCN(C)C(=O)[C@H](N)CC 36871619 409318964 /nfs/dbraw/zinc/31/89/64/409318964.db2.gz ZNBSPCMLTRHBAZ-SSDOTTSWSA-N 0 3 158.245 0.592 20 0 ACADHN CC[C@@H](N)C(=O)NC[C@H]1CCCO1 36871393 409319908 /nfs/dbraw/zinc/31/99/08/409319908.db2.gz OWCAMKMHHKHTDO-HTQZYQBOSA-N 0 3 186.255 0.019 20 0 ACADHN CC[C@H](N)C(=O)NCc1ccncc1 36871505 409320011 /nfs/dbraw/zinc/32/00/11/409320011.db2.gz XTNXFOVRKNFQDD-VIFPVBQESA-N 0 3 193.250 0.435 20 0 ACADHN CCCN(CC1CC1)C(=O)CN 35206866 409315573 /nfs/dbraw/zinc/31/55/73/409315573.db2.gz VQGSVVHKNPGYQS-UHFFFAOYSA-N 0 3 170.256 0.594 20 0 ACADHN CCCN(CC1CC1)C(=O)[C@H](C)N 35206874 409315610 /nfs/dbraw/zinc/31/56/10/409315610.db2.gz VDIZOFUBSQSLAY-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN CCCN(CC1CC1)C(=O)[C@@H](C)N 35206873 409316108 /nfs/dbraw/zinc/31/61/08/409316108.db2.gz VDIZOFUBSQSLAY-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN CCC(=O)NC[C@H](C)N1CCCC1 36076899 409317042 /nfs/dbraw/zinc/31/70/42/409317042.db2.gz KNEDRLYTYXVDMU-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CC[C@@H](C)[C@H](N)C(=O)Nc1cn[nH]c1 35764240 409317384 /nfs/dbraw/zinc/31/73/84/409317384.db2.gz WSPFSYILWWBDHK-SVRRBLITSA-N 0 3 196.254 0.722 20 0 ACADHN C[C@H](CNC(=O)C1CC1)N1CCCC1 36076915 409317521 /nfs/dbraw/zinc/31/75/21/409317521.db2.gz UUMSONXUQXNVAH-SECBINFHSA-N 0 3 196.294 0.997 20 0 ACADHN CCC(=O)NC[C@@H](C)N1CCCC1 36076897 409317542 /nfs/dbraw/zinc/31/75/42/409317542.db2.gz KNEDRLYTYXVDMU-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN C[C@H](CNC(=O)N(C)C)N1CCCC1 36077135 409317585 /nfs/dbraw/zinc/31/75/85/409317585.db2.gz TUJVIBACBCYQBH-SECBINFHSA-N 0 3 199.298 0.742 20 0 ACADHN C[C@H](NCCC(N)=O)c1cccnc1 35692089 409317755 /nfs/dbraw/zinc/31/77/55/409317755.db2.gz TVZNODIDHUTQSH-QMMMGPOBSA-N 0 3 193.250 0.608 20 0 ACADHN CCCNC(=O)[C@H](N)CC 36870994 409318465 /nfs/dbraw/zinc/31/84/65/409318465.db2.gz WKTDYVDQRCXODR-ZCFIWIBFSA-N 0 3 144.218 0.250 20 0 ACADHN CC[C@H](N)C(=O)NCc1ccccn1 36871362 409318482 /nfs/dbraw/zinc/31/84/82/409318482.db2.gz HNWLPQGZDJZLDS-VIFPVBQESA-N 0 3 193.250 0.435 20 0 ACADHN CC[C@@H](N)C(=O)NCc1ccncc1 36871506 409318512 /nfs/dbraw/zinc/31/85/12/409318512.db2.gz XTNXFOVRKNFQDD-SECBINFHSA-N 0 3 193.250 0.435 20 0 ACADHN CC[C@@H](N)C(=O)NCc1ccccn1 36871363 409318577 /nfs/dbraw/zinc/31/85/77/409318577.db2.gz HNWLPQGZDJZLDS-SECBINFHSA-N 0 3 193.250 0.435 20 0 ACADHN CNCC(=O)N(C)Cc1ccncc1 36776819 409318593 /nfs/dbraw/zinc/31/85/93/409318593.db2.gz WMGFYTHKYMEZGD-UHFFFAOYSA-N 0 3 193.250 0.259 20 0 ACADHN CNCC(=O)N(C)[C@H](C)C1CC1 36785838 409318610 /nfs/dbraw/zinc/31/86/10/409318610.db2.gz NBKCUHKINZYFBZ-SSDOTTSWSA-N 0 3 170.256 0.463 20 0 ACADHN CCCCN(C)C(=O)[C@H](N)CC 36871266 409318649 /nfs/dbraw/zinc/31/86/49/409318649.db2.gz DHGOCSNMLQFNQC-MRVPVSSYSA-N 0 3 172.272 0.982 20 0 ACADHN CC[C@@H](N)C(=O)N(C)CC 36871604 409318698 /nfs/dbraw/zinc/31/86/98/409318698.db2.gz VZUWSLLANCLCPQ-ZCFIWIBFSA-N 0 3 144.218 0.202 20 0 ACADHN CCCCNC(=O)[C@@H](N)CC 36871165 409318706 /nfs/dbraw/zinc/31/87/06/409318706.db2.gz XOQMVFUADMEGRE-ZETCQYMHSA-N 0 3 158.245 0.640 20 0 ACADHN CC[C@H](N)C(=O)N(C)CC 36871603 409318753 /nfs/dbraw/zinc/31/87/53/409318753.db2.gz VZUWSLLANCLCPQ-LURJTMIESA-N 0 3 144.218 0.202 20 0 ACADHN CC[C@@H](N)C(=O)NCC1CC1 36871055 409318903 /nfs/dbraw/zinc/31/89/03/409318903.db2.gz NSDRTUSPGROZCE-SSDOTTSWSA-N 0 3 156.229 0.250 20 0 ACADHN C[C@H](N)C(=O)N(C)[C@@H](C)C1CC1 36785796 409318955 /nfs/dbraw/zinc/31/89/55/409318955.db2.gz BJFGAYBNEADQRW-BQBZGAKWSA-N 0 3 170.256 0.591 20 0 ACADHN CC[C@H](N)C(=O)NC[C@H]1CCCO1 36871392 409319005 /nfs/dbraw/zinc/31/90/05/409319005.db2.gz OWCAMKMHHKHTDO-SFYZADRCSA-N 0 3 186.255 0.019 20 0 ACADHN CCCCNC(=O)[C@H](N)CC 36871164 409319021 /nfs/dbraw/zinc/31/90/21/409319021.db2.gz XOQMVFUADMEGRE-SSDOTTSWSA-N 0 3 158.245 0.640 20 0 ACADHN CC[C@H](N)C(=O)N(C)C(C)C 36871296 409319031 /nfs/dbraw/zinc/31/90/31/409319031.db2.gz YDZUIGAJDGFCHM-ZETCQYMHSA-N 0 3 158.245 0.591 20 0 ACADHN CC[C@H](C)NC(=O)[C@@H](N)CC 36871021 409319072 /nfs/dbraw/zinc/31/90/72/409319072.db2.gz ZJIBFXWYEJBKNH-BQBZGAKWSA-N 0 3 158.245 0.638 20 0 ACADHN CC[C@@H](N)C(=O)N(C)CC(C)C 36871622 409319120 /nfs/dbraw/zinc/31/91/20/409319120.db2.gz JZJFGDIUBRGEEY-MRVPVSSYSA-N 0 3 172.272 0.838 20 0 ACADHN CC[C@@H](N)C(=O)N(C)C(C)C 36871297 409319326 /nfs/dbraw/zinc/31/93/26/409319326.db2.gz YDZUIGAJDGFCHM-SSDOTTSWSA-N 0 3 158.245 0.591 20 0 ACADHN CCCCN(C)C(=O)[C@@H](N)CC 36871267 409319336 /nfs/dbraw/zinc/31/93/36/409319336.db2.gz DHGOCSNMLQFNQC-QMMMGPOBSA-N 0 3 172.272 0.982 20 0 ACADHN CC[C@@H](N)C(=O)N(CC)CC 36871003 409319468 /nfs/dbraw/zinc/31/94/68/409319468.db2.gz WXYGMIMPKDAELC-SSDOTTSWSA-N 0 3 158.245 0.592 20 0 ACADHN CC[C@H](C)NC(=O)[C@H](N)CC 36871019 409319511 /nfs/dbraw/zinc/31/95/11/409319511.db2.gz ZJIBFXWYEJBKNH-NKWVEPMBSA-N 0 3 158.245 0.638 20 0 ACADHN CC[C@@H](N)C(=O)NCc1ccco1 36871013 409319520 /nfs/dbraw/zinc/31/95/20/409319520.db2.gz QABUSZAMIMWESV-MRVPVSSYSA-N 0 3 182.223 0.633 20 0 ACADHN CC[C@@H](N)C(=O)N(C)C1CC1 36871606 409319561 /nfs/dbraw/zinc/31/95/61/409319561.db2.gz ITTXRNNFASCPCJ-SSDOTTSWSA-N 0 3 156.229 0.345 20 0 ACADHN CC[C@H](N)C(=O)NCC1CCC1 36871637 409319577 /nfs/dbraw/zinc/31/95/77/409319577.db2.gz BKRNSDBFTRSPNT-QMMMGPOBSA-N 0 3 170.256 0.640 20 0 ACADHN CCCN(CC)C(=O)[C@@H](N)CC 36871614 409319584 /nfs/dbraw/zinc/31/95/84/409319584.db2.gz OMXHCWIFOUEXGL-QMMMGPOBSA-N 0 3 172.272 0.982 20 0 ACADHN C[C@H](C1CC1)N(C)C(=O)CN 36785741 409319591 /nfs/dbraw/zinc/31/95/91/409319591.db2.gz ZCLSUWJQXHZYLJ-ZCFIWIBFSA-N 0 3 156.229 0.202 20 0 ACADHN C[C@H](N)C(=O)N(C)[C@H](C)C1CC1 36785798 409319619 /nfs/dbraw/zinc/31/96/19/409319619.db2.gz BJFGAYBNEADQRW-NKWVEPMBSA-N 0 3 170.256 0.591 20 0 ACADHN CC[C@@H](N)C(=O)NCCC(C)C 36871211 409319643 /nfs/dbraw/zinc/31/96/43/409319643.db2.gz FIBAIJMAMUZPTJ-MRVPVSSYSA-N 0 3 172.272 0.886 20 0 ACADHN CC[C@H](N)C(=O)NCc1cccnc1 36871503 409319654 /nfs/dbraw/zinc/31/96/54/409319654.db2.gz MZMZKKGOQHOKAU-VIFPVBQESA-N 0 3 193.250 0.435 20 0 ACADHN CC[C@H](N)C(=O)N[C@H](C)CC 36871020 409319689 /nfs/dbraw/zinc/31/96/89/409319689.db2.gz ZJIBFXWYEJBKNH-RQJHMYQMSA-N 0 3 158.245 0.638 20 0 ACADHN CC[C@@H](N)C(=O)NCC1CCC1 36871638 409319704 /nfs/dbraw/zinc/31/97/04/409319704.db2.gz BKRNSDBFTRSPNT-MRVPVSSYSA-N 0 3 170.256 0.640 20 0 ACADHN CCCN(C)C(=O)[C@@H](N)CC 36871620 409319808 /nfs/dbraw/zinc/31/98/08/409319808.db2.gz ZNBSPCMLTRHBAZ-ZETCQYMHSA-N 0 3 158.245 0.592 20 0 ACADHN CC[C@@H](N)C(=O)NCC(C)C 36871025 409319892 /nfs/dbraw/zinc/31/98/92/409319892.db2.gz QVEJFAILBHEQTO-SSDOTTSWSA-N 0 3 158.245 0.496 20 0 ACADHN CC[C@H](N)C(=O)NC[C@@H]1CCCO1 36871390 409319919 /nfs/dbraw/zinc/31/99/19/409319919.db2.gz OWCAMKMHHKHTDO-YUMQZZPRSA-N 0 3 186.255 0.019 20 0 ACADHN CC[C@@H](N)C(=O)NC[C@@H]1CCCO1 36871391 409319925 /nfs/dbraw/zinc/31/99/25/409319925.db2.gz OWCAMKMHHKHTDO-JGVFFNPUSA-N 0 3 186.255 0.019 20 0 ACADHN CC[C@H](N)C(=O)NCc1ccco1 36871012 409319939 /nfs/dbraw/zinc/31/99/39/409319939.db2.gz QABUSZAMIMWESV-QMMMGPOBSA-N 0 3 182.223 0.633 20 0 ACADHN CC[C@H](N)C(=O)NCC1CC1 36871054 409319972 /nfs/dbraw/zinc/31/99/72/409319972.db2.gz NSDRTUSPGROZCE-ZETCQYMHSA-N 0 3 156.229 0.250 20 0 ACADHN CC[C@H](N)C(=O)NCCC(C)C 36871210 409320029 /nfs/dbraw/zinc/32/00/29/409320029.db2.gz FIBAIJMAMUZPTJ-QMMMGPOBSA-N 0 3 172.272 0.886 20 0 ACADHN CC[C@H](N)C(=O)N(C)CC(C)C 36871621 409320049 /nfs/dbraw/zinc/32/00/49/409320049.db2.gz JZJFGDIUBRGEEY-QMMMGPOBSA-N 0 3 172.272 0.838 20 0 ACADHN CNCC(=O)N(C)Cc1cccnc1 36771591 409320107 /nfs/dbraw/zinc/32/01/07/409320107.db2.gz JVSATYQGSIHKGR-UHFFFAOYSA-N 0 3 193.250 0.259 20 0 ACADHN CCCN(C(=O)CNC)C1CC1 37097407 409320996 /nfs/dbraw/zinc/32/09/96/409320996.db2.gz QZEFMJUZJGJSKO-UHFFFAOYSA-N 0 3 170.256 0.607 20 0 ACADHN CCCN(CC)C(=O)[C@H](C)N 37095116 409321035 /nfs/dbraw/zinc/32/10/35/409321035.db2.gz JLUAPDLJXOZMOE-ZETCQYMHSA-N 0 3 158.245 0.592 20 0 ACADHN CCCN(C)C(=O)[C@H](C)N 37098515 409321206 /nfs/dbraw/zinc/32/12/06/409321206.db2.gz AZXPUIXLBFILTC-LURJTMIESA-N 0 3 144.218 0.202 20 0 ACADHN C[C@H](Cc1cccs1)NC(=O)CN 37020962 409321226 /nfs/dbraw/zinc/32/12/26/409321226.db2.gz APEWWIDVQMMQKV-SSDOTTSWSA-N 0 3 198.291 0.754 20 0 ACADHN CC(C)C[C@@H](N)C(=O)N(C)C1CC1 37081213 409321403 /nfs/dbraw/zinc/32/14/03/409321403.db2.gz AEEUVPGMZSVZQB-SECBINFHSA-N 0 3 184.283 0.981 20 0 ACADHN CCCN(C)C(=O)[C@@H](N)C(C)C 37098517 409321551 /nfs/dbraw/zinc/32/15/51/409321551.db2.gz LMIDTABDONXBOD-QMMMGPOBSA-N 0 3 172.272 0.838 20 0 ACADHN CC(C)C[C@H](N)C(=O)N(C)C1CC1 37081212 409321784 /nfs/dbraw/zinc/32/17/84/409321784.db2.gz AEEUVPGMZSVZQB-VIFPVBQESA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@H](N)C(=O)N(C)[C@H](C)C1CC1 36871791 409321854 /nfs/dbraw/zinc/32/18/54/409321854.db2.gz KYRGCTGWKRBDJX-APPZFPTMSA-N 0 3 184.283 0.981 20 0 ACADHN CCCN(C)C(=O)[C@H](N)C(C)C 37098516 409321956 /nfs/dbraw/zinc/32/19/56/409321956.db2.gz LMIDTABDONXBOD-MRVPVSSYSA-N 0 3 172.272 0.838 20 0 ACADHN CCCN(CC)C(=O)[C@@H](C)N 37095115 409322408 /nfs/dbraw/zinc/32/24/08/409322408.db2.gz JLUAPDLJXOZMOE-SSDOTTSWSA-N 0 3 158.245 0.592 20 0 ACADHN CC[C@@H](C)[C@H](N)C(=O)N(C)C1CC1 37081204 409322649 /nfs/dbraw/zinc/32/26/49/409322649.db2.gz IPHWTGQQBSUMKT-APPZFPTMSA-N 0 3 184.283 0.981 20 0 ACADHN CCCN(C(=O)[C@@H](C)N)C1CC1 37097408 409322744 /nfs/dbraw/zinc/32/27/44/409322744.db2.gz BVKQUCXLSVKMFS-SSDOTTSWSA-N 0 3 170.256 0.735 20 0 ACADHN CCCN(C(=O)[C@H](C)N)C1CC1 37097409 409322771 /nfs/dbraw/zinc/32/27/71/409322771.db2.gz BVKQUCXLSVKMFS-ZETCQYMHSA-N 0 3 170.256 0.735 20 0 ACADHN CC[C@H](N)C(=O)N(C)[C@@H](C)C1CC1 36871789 409322791 /nfs/dbraw/zinc/32/27/91/409322791.db2.gz KYRGCTGWKRBDJX-CBAPKCEASA-N 0 3 184.283 0.981 20 0 ACADHN CCCN(C)C(=O)CNC 37098513 409322860 /nfs/dbraw/zinc/32/28/60/409322860.db2.gz NNDIASPRYMBCLX-UHFFFAOYSA-N 0 3 144.218 0.074 20 0 ACADHN CCCN(C(=O)CN)C1CC1 37097418 409322881 /nfs/dbraw/zinc/32/28/81/409322881.db2.gz OVDIQGSSORTRED-UHFFFAOYSA-N 0 3 156.229 0.346 20 0 ACADHN CCCN(C)C(=O)[C@@H](C)N 37098514 409323005 /nfs/dbraw/zinc/32/30/05/409323005.db2.gz AZXPUIXLBFILTC-ZCFIWIBFSA-N 0 3 144.218 0.202 20 0 ACADHN CC[C@@H](N)C(=O)N(C)[C@@H](C)C1CC1 36871790 409323030 /nfs/dbraw/zinc/32/30/30/409323030.db2.gz KYRGCTGWKRBDJX-IONNQARKSA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@H](C)CN(C)C(=O)[C@@H](C)N 37173427 409323893 /nfs/dbraw/zinc/32/38/93/409323893.db2.gz AMLMXEZPJOXCKW-JGVFFNPUSA-N 0 3 172.272 0.838 20 0 ACADHN CC(C)C[C@@H](C)NC(=O)[C@@H](C)N 37265172 409324234 /nfs/dbraw/zinc/32/42/34/409324234.db2.gz ZIKGQJMYQAIGFN-HTQZYQBOSA-N 0 3 172.272 0.884 20 0 ACADHN CC[C@@H](C)N(C)C(=O)[C@H](C)N 37110294 409324320 /nfs/dbraw/zinc/32/43/20/409324320.db2.gz PFKRFUFPIZMTIJ-RQJHMYQMSA-N 0 3 158.245 0.591 20 0 ACADHN CC[C@H](C)CN(C)C(=O)CN 37173447 409324530 /nfs/dbraw/zinc/32/45/30/409324530.db2.gz ROZLAKDBACTVQQ-ZETCQYMHSA-N 0 3 158.245 0.450 20 0 ACADHN CC[C@H](C)CN(C)C(=O)CNC 37173425 409324557 /nfs/dbraw/zinc/32/45/57/409324557.db2.gz PAAAAMKHWWXCRB-QMMMGPOBSA-N 0 3 172.272 0.710 20 0 ACADHN CC(C)C[C@@H](C)NC(=O)[C@H](C)N 37265174 409324733 /nfs/dbraw/zinc/32/47/33/409324733.db2.gz ZIKGQJMYQAIGFN-SFYZADRCSA-N 0 3 172.272 0.884 20 0 ACADHN CC[C@@H](C)CN(C)C(=O)CNC 37173424 409324974 /nfs/dbraw/zinc/32/49/74/409324974.db2.gz PAAAAMKHWWXCRB-MRVPVSSYSA-N 0 3 172.272 0.710 20 0 ACADHN CC[C@@H](C)CN(C)C(=O)[C@@H](C)N 37173426 409325170 /nfs/dbraw/zinc/32/51/70/409325170.db2.gz AMLMXEZPJOXCKW-HTQZYQBOSA-N 0 3 172.272 0.838 20 0 ACADHN CC[C@H](C)N(C)C(=O)CN 37110313 409325461 /nfs/dbraw/zinc/32/54/61/409325461.db2.gz PNHMYJSNKDVYFR-LURJTMIESA-N 0 3 144.218 0.202 20 0 ACADHN CC(C)C[C@H](C)NC(=O)[C@@H](C)N 37265173 409325726 /nfs/dbraw/zinc/32/57/26/409325726.db2.gz ZIKGQJMYQAIGFN-JGVFFNPUSA-N 0 3 172.272 0.884 20 0 ACADHN CC[C@@H](C)CN(C)C(=O)[C@H](C)N 37173428 409325524 /nfs/dbraw/zinc/32/55/24/409325524.db2.gz AMLMXEZPJOXCKW-SFYZADRCSA-N 0 3 172.272 0.838 20 0 ACADHN CC[C@H](C)CN(C)C(=O)[C@H](C)N 37173429 409325559 /nfs/dbraw/zinc/32/55/59/409325559.db2.gz AMLMXEZPJOXCKW-YUMQZZPRSA-N 0 3 172.272 0.838 20 0 ACADHN CNCC(=O)N[C@@H](C)CC(C)C 37265171 409325652 /nfs/dbraw/zinc/32/56/52/409325652.db2.gz NEQAAQUPHONTMZ-QMMMGPOBSA-N 0 3 172.272 0.757 20 0 ACADHN CC[C@@H](C)N(C)C(=O)CN 37110312 409325739 /nfs/dbraw/zinc/32/57/39/409325739.db2.gz PNHMYJSNKDVYFR-ZCFIWIBFSA-N 0 3 144.218 0.202 20 0 ACADHN CC(C)C[C@H](C)NC(=O)CN 37265193 409325763 /nfs/dbraw/zinc/32/57/63/409325763.db2.gz KDFDRGXBLNQACQ-ZETCQYMHSA-N 0 3 158.245 0.496 20 0 ACADHN CC(C)CN(C)C(=O)[C@@H](C)N 37108603 409326131 /nfs/dbraw/zinc/32/61/31/409326131.db2.gz YNJOPZRPPQAUQD-SSDOTTSWSA-N 0 3 158.245 0.448 20 0 ACADHN CNCC(=O)N[C@H](C)CC(C)C 37265170 409326449 /nfs/dbraw/zinc/32/64/49/409326449.db2.gz NEQAAQUPHONTMZ-MRVPVSSYSA-N 0 3 172.272 0.757 20 0 ACADHN CC[C@H](C)N(C)C(=O)[C@@H](C)N 37110293 409326634 /nfs/dbraw/zinc/32/66/34/409326634.db2.gz PFKRFUFPIZMTIJ-NKWVEPMBSA-N 0 3 158.245 0.591 20 0 ACADHN CC(C)C[C@H](C)NC(=O)[C@H](C)N 37265175 409326687 /nfs/dbraw/zinc/32/66/87/409326687.db2.gz ZIKGQJMYQAIGFN-YUMQZZPRSA-N 0 3 172.272 0.884 20 0 ACADHN CC[C@@H](C)CN(C)C(=O)CN 37173446 409326805 /nfs/dbraw/zinc/32/68/05/409326805.db2.gz ROZLAKDBACTVQQ-SSDOTTSWSA-N 0 3 158.245 0.450 20 0 ACADHN CC(C)CN(C)C(=O)[C@H](C)N 37108604 409326949 /nfs/dbraw/zinc/32/69/49/409326949.db2.gz YNJOPZRPPQAUQD-ZETCQYMHSA-N 0 3 158.245 0.448 20 0 ACADHN CC[C@@H](C)N(C)C(=O)[C@@H](C)N 37110292 409326995 /nfs/dbraw/zinc/32/69/95/409326995.db2.gz PFKRFUFPIZMTIJ-RNFRBKRXSA-N 0 3 158.245 0.591 20 0 ACADHN CC(C)C[C@@H](C)NC(=O)CN 37265192 409327034 /nfs/dbraw/zinc/32/70/34/409327034.db2.gz KDFDRGXBLNQACQ-SSDOTTSWSA-N 0 3 158.245 0.496 20 0 ACADHN CC[C@H](C)[C@@H](C)NC(=O)CNC 42558717 409354300 /nfs/dbraw/zinc/35/43/00/409354300.db2.gz ZKPZODAMXLWKJS-JGVFFNPUSA-N 0 3 172.272 0.757 20 0 ACADHN C[C@H](C1CC1)N(C)C(=O)CNC1CC1 37476996 409327848 /nfs/dbraw/zinc/32/78/48/409327848.db2.gz LIONKGWHDIFEMM-MRVPVSSYSA-N 0 3 196.294 0.995 20 0 ACADHN CCCN(C)C(=O)CNC1CC1 37476936 409327983 /nfs/dbraw/zinc/32/79/83/409327983.db2.gz NQLGGJRMBZPNLT-UHFFFAOYSA-N 0 3 170.256 0.607 20 0 ACADHN C[C@@H](C1CC1)N(C)C(=O)CNC1CC1 37476995 409328201 /nfs/dbraw/zinc/32/82/01/409328201.db2.gz LIONKGWHDIFEMM-QMMMGPOBSA-N 0 3 196.294 0.995 20 0 ACADHN O=C(CNC1CC1)NCC1CCC1 37476945 409328384 /nfs/dbraw/zinc/32/83/84/409328384.db2.gz CNXSSNJWDTWNDY-UHFFFAOYSA-N 0 3 182.267 0.655 20 0 ACADHN CC(C)CN(C)C(=O)CNC1CC1 37476937 409328508 /nfs/dbraw/zinc/32/85/08/409328508.db2.gz PSOXQHVCUKHPTP-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN CN(C(=O)CNC1CC1)C1CC1 37476931 409329524 /nfs/dbraw/zinc/32/95/24/409329524.db2.gz VLDYEQIODFHUJN-UHFFFAOYSA-N 0 3 168.240 0.359 20 0 ACADHN CCCN(CC)C(=O)CNC1CC1 37476933 409329606 /nfs/dbraw/zinc/32/96/06/409329606.db2.gz APWVBNPRAIBEAP-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN CCC[C@@](C)(N)C(=O)NCCOC 37481154 409330703 /nfs/dbraw/zinc/33/07/03/409330703.db2.gz DZIKDZQPHOEWQW-SECBINFHSA-N 0 3 188.271 0.267 20 0 ACADHN CC[C@H](N)C(=O)N(C)CC(F)(F)F 37664964 409330722 /nfs/dbraw/zinc/33/07/22/409330722.db2.gz BGDMHUJDVVGMJQ-YFKPBYRVSA-N 0 3 198.188 0.744 20 0 ACADHN CC[C@H](N)C(=O)N(CC)C1CC1 37507180 409330836 /nfs/dbraw/zinc/33/08/36/409330836.db2.gz JIDFXJKLCCQAMP-QMMMGPOBSA-N 0 3 170.256 0.735 20 0 ACADHN CC[C@H](C)N(C)C(=O)[C@H](N)CC 37507185 409330847 /nfs/dbraw/zinc/33/08/47/409330847.db2.gz OJJODMCFYOZYPM-JGVFFNPUSA-N 0 3 172.272 0.981 20 0 ACADHN CC[C@H](N)C(=O)N(C)[C@H](C)CC 37507186 409331062 /nfs/dbraw/zinc/33/10/62/409331062.db2.gz OJJODMCFYOZYPM-SFYZADRCSA-N 0 3 172.272 0.981 20 0 ACADHN CC[C@@H](N)C(=O)N(C)CC(F)(F)F 37664965 409331158 /nfs/dbraw/zinc/33/11/58/409331158.db2.gz BGDMHUJDVVGMJQ-RXMQYKEDSA-N 0 3 198.188 0.744 20 0 ACADHN CC[C@H](C)N(C)C(=O)CNC1CC1 37654652 409331465 /nfs/dbraw/zinc/33/14/65/409331465.db2.gz GFPCBVZITDPXEJ-QMMMGPOBSA-N 0 3 184.283 0.995 20 0 ACADHN CC[C@H](N)C(=O)N(C)[C@@H](C)CC 37507187 409331477 /nfs/dbraw/zinc/33/14/77/409331477.db2.gz OJJODMCFYOZYPM-YUMQZZPRSA-N 0 3 172.272 0.981 20 0 ACADHN CC[C@@H](N)C(=O)N(C)[C@H](C)CC 37507184 409331482 /nfs/dbraw/zinc/33/14/82/409331482.db2.gz OJJODMCFYOZYPM-HTQZYQBOSA-N 0 3 172.272 0.981 20 0 ACADHN CCC[C@](C)(N)C(=O)NCCOC 37481153 409331651 /nfs/dbraw/zinc/33/16/51/409331651.db2.gz DZIKDZQPHOEWQW-VIFPVBQESA-N 0 3 188.271 0.267 20 0 ACADHN O=C(CNCC1CC1)Nc1cn[nH]c1 37478342 409331829 /nfs/dbraw/zinc/33/18/29/409331829.db2.gz QHPKGGTYJOTPBM-UHFFFAOYSA-N 0 3 194.238 0.348 20 0 ACADHN C[C@H](N)C(=O)N(C)CC(F)(F)F 37664925 409331876 /nfs/dbraw/zinc/33/18/76/409331876.db2.gz RCGANOLCVBRLRB-BYPYZUCNSA-N 0 3 184.161 0.354 20 0 ACADHN C[C@@H](N)C(=O)N(C)CC(F)(F)F 37664926 409331941 /nfs/dbraw/zinc/33/19/41/409331941.db2.gz RCGANOLCVBRLRB-SCSAIBSYSA-N 0 3 184.161 0.354 20 0 ACADHN CC[C@@H](N)C(=O)N(CC)C1CC1 37507181 409332003 /nfs/dbraw/zinc/33/20/03/409332003.db2.gz JIDFXJKLCCQAMP-MRVPVSSYSA-N 0 3 170.256 0.735 20 0 ACADHN CC[C@@H](C)N(C)C(=O)CNC1CC1 37654651 409332279 /nfs/dbraw/zinc/33/22/79/409332279.db2.gz GFPCBVZITDPXEJ-MRVPVSSYSA-N 0 3 184.283 0.995 20 0 ACADHN COc1ncccc1CNC[C@H](C)O 37687927 409334800 /nfs/dbraw/zinc/33/48/00/409334800.db2.gz ORRHYEUHCBZDLP-QMMMGPOBSA-N 0 3 196.250 0.561 20 0 ACADHN COc1ncccc1CNC[C@@H](C)O 37687928 409335133 /nfs/dbraw/zinc/33/51/33/409335133.db2.gz ORRHYEUHCBZDLP-MRVPVSSYSA-N 0 3 196.250 0.561 20 0 ACADHN CC(C)[C@@H](N)C(=O)N(C)CC1CC1 37816340 409335965 /nfs/dbraw/zinc/33/59/65/409335965.db2.gz ASLJOGDJZLYBOT-SECBINFHSA-N 0 3 184.283 0.838 20 0 ACADHN CC(C)CCN(C)C(=O)CN 37817879 409335981 /nfs/dbraw/zinc/33/59/81/409335981.db2.gz SBBBCEQKSWOEHE-UHFFFAOYSA-N 0 3 158.245 0.450 20 0 ACADHN OC[C@@H](O)CNCc1ccc(F)cc1 37847325 409336284 /nfs/dbraw/zinc/33/62/84/409336284.db2.gz RXTJZFLJAQDRTF-JTQLQIEISA-N 0 3 199.225 0.269 20 0 ACADHN CC[C@@H](N)C(=O)N(C)CC1CC1 37816379 409336496 /nfs/dbraw/zinc/33/64/96/409336496.db2.gz RGUOGBQXGYRBAZ-MRVPVSSYSA-N 0 3 170.256 0.592 20 0 ACADHN CC(C)CN(C(=O)[C@@H](C)N)C1CC1 37806710 409336636 /nfs/dbraw/zinc/33/66/36/409336636.db2.gz ALGPSSTZMKPROP-MRVPVSSYSA-N 0 3 184.283 0.981 20 0 ACADHN CC(C)[C@H](N)C(=O)N(C)CC1CC1 37816339 409336654 /nfs/dbraw/zinc/33/66/54/409336654.db2.gz ASLJOGDJZLYBOT-VIFPVBQESA-N 0 3 184.283 0.838 20 0 ACADHN CC(C)CCN(C)C(=O)[C@H](C)N 37817902 409336700 /nfs/dbraw/zinc/33/67/00/409336700.db2.gz GZKNHIGEWCYXBQ-QMMMGPOBSA-N 0 3 172.272 0.838 20 0 ACADHN CNCC(=O)N(CC(C)C)C1CC1 37806726 409336728 /nfs/dbraw/zinc/33/67/28/409336728.db2.gz MITNQBVAWHAFMY-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN OC[C@@H](O)CNCc1cccs1 37849003 409336771 /nfs/dbraw/zinc/33/67/71/409336771.db2.gz VIZPBLQZOOKRHS-ZETCQYMHSA-N 0 3 187.264 0.191 20 0 ACADHN C[C@H](N(C)C(=O)CN)C(C)(C)C 37807091 409336810 /nfs/dbraw/zinc/33/68/10/409336810.db2.gz NCYLQNAWSNYBHQ-ZETCQYMHSA-N 0 3 172.272 0.838 20 0 ACADHN CN(Cc1cccc(O)c1)C(=O)CN 37824076 409336880 /nfs/dbraw/zinc/33/68/80/409336880.db2.gz WJRYYNCDZOCUHF-UHFFFAOYSA-N 0 3 194.234 0.309 20 0 ACADHN C[C@H](c1ccncc1)N(C)C(=O)CN 37823888 409336919 /nfs/dbraw/zinc/33/69/19/409336919.db2.gz XPUPTRVTKIOIAC-MRVPVSSYSA-N 0 3 193.250 0.560 20 0 ACADHN CC(C)CCN(C)C(=O)[C@@H](C)N 37817901 409337018 /nfs/dbraw/zinc/33/70/18/409337018.db2.gz GZKNHIGEWCYXBQ-MRVPVSSYSA-N 0 3 172.272 0.838 20 0 ACADHN CC(C)CN(C(=O)CN)C1CC1 37806688 409337115 /nfs/dbraw/zinc/33/71/15/409337115.db2.gz ODRZDVUWTRRWBP-UHFFFAOYSA-N 0 3 170.256 0.592 20 0 ACADHN COCCN(CC(C)C)C(=O)CN 37809067 409337203 /nfs/dbraw/zinc/33/72/03/409337203.db2.gz AVVBIXSNXKMMGL-UHFFFAOYSA-N 0 3 188.271 0.076 20 0 ACADHN CC(C)CCN(C(=O)CN)C1CC1 37806998 409337263 /nfs/dbraw/zinc/33/72/63/409337263.db2.gz OXPKAQHLRVRIEY-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN Cc1ccc(CNC[C@H](O)CO)cc1 37848077 409337374 /nfs/dbraw/zinc/33/73/74/409337374.db2.gz GCBZJNYFEVCZAO-NSHDSACASA-N 0 3 195.262 0.438 20 0 ACADHN CC[C@H](N)C(=O)N(C)CC1CC1 37816378 409337540 /nfs/dbraw/zinc/33/75/40/409337540.db2.gz RGUOGBQXGYRBAZ-QMMMGPOBSA-N 0 3 170.256 0.592 20 0 ACADHN CCCN(CC(F)(F)F)C(=O)CN 37812077 409337578 /nfs/dbraw/zinc/33/75/78/409337578.db2.gz JPUQCGWYMWARPV-UHFFFAOYSA-N 0 3 198.188 0.746 20 0 ACADHN CCCCN(C(=O)CN)C1CC1 37810287 409337619 /nfs/dbraw/zinc/33/76/19/409337619.db2.gz DWZIZEZEPNFYAY-UHFFFAOYSA-N 0 3 170.256 0.736 20 0 ACADHN C[C@@H](c1ccncc1)N(C)C(=O)CN 37823887 409337666 /nfs/dbraw/zinc/33/76/66/409337666.db2.gz XPUPTRVTKIOIAC-QMMMGPOBSA-N 0 3 193.250 0.560 20 0 ACADHN CN(CC1CC1)C(=O)CNC1CC1 37816381 409337751 /nfs/dbraw/zinc/33/77/51/409337751.db2.gz AJEBJSHQCWAAJU-UHFFFAOYSA-N 0 3 182.267 0.607 20 0 ACADHN CC(C)CN(C(=O)[C@H](C)N)C1CC1 37806711 409337832 /nfs/dbraw/zinc/33/78/32/409337832.db2.gz ALGPSSTZMKPROP-QMMMGPOBSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H]1CCCN1C(=O)CNC1CC1 37912072 409338541 /nfs/dbraw/zinc/33/85/41/409338541.db2.gz QHQARPPFMPPFKW-QMMMGPOBSA-N 0 3 182.267 0.749 20 0 ACADHN C[C@@H]1CCCN1C(=O)CNC1CC1 37912071 409339433 /nfs/dbraw/zinc/33/94/33/409339433.db2.gz QHQARPPFMPPFKW-MRVPVSSYSA-N 0 3 182.267 0.749 20 0 ACADHN OCCNCc1cc2cnccc2o1 651750145 409339668 /nfs/dbraw/zinc/33/96/68/409339668.db2.gz XVDVGNZCHZTLEL-UHFFFAOYSA-N 0 3 192.218 0.910 20 0 ACADHN C[C@H](CNc1ncccn1)N(C)C 37985879 409339842 /nfs/dbraw/zinc/33/98/42/409339842.db2.gz WYJNVBQESWBPFO-MRVPVSSYSA-N 0 3 180.255 0.839 20 0 ACADHN CC(C)CCCNC(=O)[C@@H](C)N 38093888 409340026 /nfs/dbraw/zinc/34/00/26/409340026.db2.gz PGWULKZXARFKDN-MRVPVSSYSA-N 0 3 172.272 0.886 20 0 ACADHN CC(C)CNCc1nncn1C 37989039 409340094 /nfs/dbraw/zinc/34/00/94/409340094.db2.gz ZWPPMFDVXVOKBS-UHFFFAOYSA-N 0 3 168.244 0.561 20 0 ACADHN CC(C)CCCNC(=O)[C@H](C)N 38093889 409340162 /nfs/dbraw/zinc/34/01/62/409340162.db2.gz PGWULKZXARFKDN-QMMMGPOBSA-N 0 3 172.272 0.886 20 0 ACADHN C[C@H](CNc1cnccn1)N(C)C 37988034 409340362 /nfs/dbraw/zinc/34/03/62/409340362.db2.gz LDGLYMUXXBKSOH-MRVPVSSYSA-N 0 3 180.255 0.839 20 0 ACADHN CC[C@@H](N)C(=O)N1CCC[C@H]1C 37912068 409340406 /nfs/dbraw/zinc/34/04/06/409340406.db2.gz IIGPFTFCTBFWJH-HTQZYQBOSA-N 0 3 170.256 0.735 20 0 ACADHN CC[C@@H](N)C(=O)N1CCC[C@@H]1C 37912064 409340820 /nfs/dbraw/zinc/34/08/20/409340820.db2.gz IIGPFTFCTBFWJH-JGVFFNPUSA-N 0 3 170.256 0.735 20 0 ACADHN COCCN(C)C(=O)[C@@H](N)C(C)C 38101269 409341644 /nfs/dbraw/zinc/34/16/44/409341644.db2.gz QATFMCVNJAMQPG-QMMMGPOBSA-N 0 3 188.271 0.075 20 0 ACADHN COCCN(C)C(=O)[C@H](N)C(C)C 38101270 409342191 /nfs/dbraw/zinc/34/21/91/409342191.db2.gz QATFMCVNJAMQPG-MRVPVSSYSA-N 0 3 188.271 0.075 20 0 ACADHN CCCCOCCNC(=O)[C@@H](C)N 40507650 409343115 /nfs/dbraw/zinc/34/31/15/409343115.db2.gz MBQZMPRXNSVSOC-MRVPVSSYSA-N 0 3 188.271 0.267 20 0 ACADHN CC(C)NC(=O)[C@@H](N)C(C)(C)C 40457767 409343252 /nfs/dbraw/zinc/34/32/52/409343252.db2.gz YZXNOCXWYIUXCC-SSDOTTSWSA-N 0 3 172.272 0.884 20 0 ACADHN C[C@H](O)CNCc1ccc(CO)cc1 40544156 409343317 /nfs/dbraw/zinc/34/33/17/409343317.db2.gz ZDNQNWKKHXHBLJ-VIFPVBQESA-N 0 3 195.262 0.649 20 0 ACADHN CNCC(=O)N(C)c1cccnc1 39168531 409343447 /nfs/dbraw/zinc/34/34/47/409343447.db2.gz LWUANCQETMOMKT-UHFFFAOYSA-N 0 3 179.223 0.264 20 0 ACADHN O[C@@H]1CCN(C2CN(CC3CC3)C2)C1 651978531 409343459 /nfs/dbraw/zinc/34/34/59/409343459.db2.gz PYUXLQHAEITVLK-LLVKDONJSA-N 0 3 196.294 0.147 20 0 ACADHN COCCNC(=O)[C@@H](N)C(C)(C)C 40457779 409343855 /nfs/dbraw/zinc/34/38/55/409343855.db2.gz VYWDSXIKKPBKJB-SSDOTTSWSA-N 0 3 188.271 0.122 20 0 ACADHN CCCNC(=O)[C@@H](N)C(C)(C)C 40457729 409343865 /nfs/dbraw/zinc/34/38/65/409343865.db2.gz SSUMOXWWXRJBCW-SSDOTTSWSA-N 0 3 172.272 0.886 20 0 ACADHN CC[C@@H](N)C(=O)NCC(C)(C)C 40494427 409343968 /nfs/dbraw/zinc/34/39/68/409343968.db2.gz XWAGBNDHEMACDZ-SSDOTTSWSA-N 0 3 172.272 0.886 20 0 ACADHN CNCC(=O)NCC(C)(C)C 40494336 409344238 /nfs/dbraw/zinc/34/42/38/409344238.db2.gz OASCRGBFHUXJJE-UHFFFAOYSA-N 0 3 158.245 0.368 20 0 ACADHN CC[C@H](N)C(=O)NCC(C)(C)C 40494424 409344498 /nfs/dbraw/zinc/34/44/98/409344498.db2.gz XWAGBNDHEMACDZ-ZETCQYMHSA-N 0 3 172.272 0.886 20 0 ACADHN OC[C@@H](CCF)NCc1ccncc1 652016031 409344634 /nfs/dbraw/zinc/34/46/34/409344634.db2.gz QXXIKBQJGUXAKQ-SNVBAGLBSA-N 0 3 198.241 0.892 20 0 ACADHN OCCNCc1ccc(CO)cc1 40544152 409344648 /nfs/dbraw/zinc/34/46/48/409344648.db2.gz DXNWDJCBVAPYAK-UHFFFAOYSA-N 0 3 181.235 0.261 20 0 ACADHN OC[C@@H](CCF)NCc1ccccn1 652014746 409345033 /nfs/dbraw/zinc/34/50/33/409345033.db2.gz IVTDJRAONMKILE-SNVBAGLBSA-N 0 3 198.241 0.892 20 0 ACADHN OC[C@H](CCF)NCc1cccnc1 652014764 409345299 /nfs/dbraw/zinc/34/52/99/409345299.db2.gz JDYQKKYTYMMICE-JTQLQIEISA-N 0 3 198.241 0.892 20 0 ACADHN CC(C)[C@H](N)C(=O)NCc1cc[nH]n1 41016206 409345373 /nfs/dbraw/zinc/34/53/73/409345373.db2.gz GSBXWMMHEYGEOM-QMMMGPOBSA-N 0 3 196.254 0.009 20 0 ACADHN OC[C@H](CCF)NCc1cc[nH]c1 652017684 409345439 /nfs/dbraw/zinc/34/54/39/409345439.db2.gz ACVFNYPHZFIODL-VIFPVBQESA-N 0 3 186.230 0.825 20 0 ACADHN CC[C@@H](N)C(=O)NCc1nccs1 41013480 409345455 /nfs/dbraw/zinc/34/54/55/409345455.db2.gz JTKVAOKKGLKFGP-ZCFIWIBFSA-N 0 3 199.279 0.497 20 0 ACADHN CN(CC(F)(F)F)C(=O)C(C)(C)N 40922662 409345477 /nfs/dbraw/zinc/34/54/77/409345477.db2.gz USNPCTYILYBBBW-UHFFFAOYSA-N 0 3 198.188 0.744 20 0 ACADHN OC[C@H](CCF)NCc1ccncc1 652016030 409345747 /nfs/dbraw/zinc/34/57/47/409345747.db2.gz QXXIKBQJGUXAKQ-JTQLQIEISA-N 0 3 198.241 0.892 20 0 ACADHN OC[C@@H](CCF)NCc1cccnc1 652014765 409346083 /nfs/dbraw/zinc/34/60/83/409346083.db2.gz JDYQKKYTYMMICE-SNVBAGLBSA-N 0 3 198.241 0.892 20 0 ACADHN OC[C@H](CCF)NCc1ccccn1 652014745 409346229 /nfs/dbraw/zinc/34/62/29/409346229.db2.gz IVTDJRAONMKILE-JTQLQIEISA-N 0 3 198.241 0.892 20 0 ACADHN OC[C@@H](CCF)NCc1cc[nH]c1 652017683 409346255 /nfs/dbraw/zinc/34/62/55/409346255.db2.gz ACVFNYPHZFIODL-SECBINFHSA-N 0 3 186.230 0.825 20 0 ACADHN CC[C@H](N)C(=O)NCc1nccs1 41013477 409346318 /nfs/dbraw/zinc/34/63/18/409346318.db2.gz JTKVAOKKGLKFGP-LURJTMIESA-N 0 3 199.279 0.497 20 0 ACADHN Cc1nc(CNC(=O)CN)cs1 41011263 409346481 /nfs/dbraw/zinc/34/64/81/409346481.db2.gz VFOIOMXJBRLWCI-UHFFFAOYSA-N 0 3 185.252 0.026 20 0 ACADHN CN(CCc1cccs1)C(=O)CN 41209478 409346521 /nfs/dbraw/zinc/34/65/21/409346521.db2.gz OGWFBZVEYDSDAR-UHFFFAOYSA-N 0 3 198.291 0.708 20 0 ACADHN C[C@H](C1CC1)N(C)C(=O)C(C)(C)N 40920801 409346534 /nfs/dbraw/zinc/34/65/34/409346534.db2.gz PBRJLNJWAIMBIS-SSDOTTSWSA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H]1CCN(C(=O)CNC2CC2)C1 40724747 409346660 /nfs/dbraw/zinc/34/66/60/409346660.db2.gz OUDOEOUWYUOFKE-QMMMGPOBSA-N 0 3 182.267 0.607 20 0 ACADHN C[C@@H]1CCN(C(=O)CNC2CC2)C1 40724745 409347113 /nfs/dbraw/zinc/34/71/13/409347113.db2.gz OUDOEOUWYUOFKE-MRVPVSSYSA-N 0 3 182.267 0.607 20 0 ACADHN C[C@@H](CCO)N(C)Cc1cn[nH]c1 652048610 409347220 /nfs/dbraw/zinc/34/72/20/409347220.db2.gz QEKCULLUGYUEGU-QMMMGPOBSA-N 0 3 183.255 0.612 20 0 ACADHN CNCC(=O)NCc1csc(C)n1 41011289 409347262 /nfs/dbraw/zinc/34/72/62/409347262.db2.gz ICOJWAOPNLYADD-UHFFFAOYSA-N 0 3 199.279 0.287 20 0 ACADHN CNCC(=O)NCc1cnc(C)s1 40998450 409347543 /nfs/dbraw/zinc/34/75/43/409347543.db2.gz CLCXHZUCGZIFHZ-UHFFFAOYSA-N 0 3 199.279 0.287 20 0 ACADHN CC(C)(N)C(=O)NCc1nccs1 41013355 409347801 /nfs/dbraw/zinc/34/78/01/409347801.db2.gz IKFQVCVIQDPRIF-UHFFFAOYSA-N 0 3 199.279 0.497 20 0 ACADHN Cc1n[nH]cc1CN(C)[C@@H](C)CCO 652047443 409348196 /nfs/dbraw/zinc/34/81/96/409348196.db2.gz PHYKCPRMJHKIBC-QMMMGPOBSA-N 0 3 197.282 0.921 20 0 ACADHN Cc1n[nH]cc1CN(C)[C@H](C)CCO 652047442 409348408 /nfs/dbraw/zinc/34/84/08/409348408.db2.gz PHYKCPRMJHKIBC-MRVPVSSYSA-N 0 3 197.282 0.921 20 0 ACADHN C[C@@H](CNC(=O)NCC1CC1)N(C)C 652043627 409348514 /nfs/dbraw/zinc/34/85/14/409348514.db2.gz PHHNAJXPKGSNOT-QMMMGPOBSA-N 0 3 199.298 0.646 20 0 ACADHN C[C@H](CCO)N(C)Cc1cn[nH]c1 652048609 409348604 /nfs/dbraw/zinc/34/86/04/409348604.db2.gz QEKCULLUGYUEGU-MRVPVSSYSA-N 0 3 183.255 0.612 20 0 ACADHN CC[C@H](N)C(=O)NC[C@H](C)COC 41679469 409349015 /nfs/dbraw/zinc/34/90/15/409349015.db2.gz FSKLZKVYMCEEQB-YUMQZZPRSA-N 0 3 188.271 0.122 20 0 ACADHN CC[C@@H](N)C(=O)NC[C@@H](C)COC 41679468 409349737 /nfs/dbraw/zinc/34/97/37/409349737.db2.gz FSKLZKVYMCEEQB-HTQZYQBOSA-N 0 3 188.271 0.122 20 0 ACADHN OC[C@H](O)CNCc1ccc(F)cc1 41582202 409349873 /nfs/dbraw/zinc/34/98/73/409349873.db2.gz RXTJZFLJAQDRTF-SNVBAGLBSA-N 0 3 199.225 0.269 20 0 ACADHN CC[C@H](N)C(=O)NC[C@@H](C)COC 41679467 409350392 /nfs/dbraw/zinc/35/03/92/409350392.db2.gz FSKLZKVYMCEEQB-SFYZADRCSA-N 0 3 188.271 0.122 20 0 ACADHN Cc1ccc(CNC[C@@H](O)CO)cc1 41582217 409350693 /nfs/dbraw/zinc/35/06/93/409350693.db2.gz GCBZJNYFEVCZAO-LLVKDONJSA-N 0 3 195.262 0.438 20 0 ACADHN CC[C@@H](N)C(=O)NC[C@H](C)COC 41679470 409350707 /nfs/dbraw/zinc/35/07/07/409350707.db2.gz FSKLZKVYMCEEQB-JGVFFNPUSA-N 0 3 188.271 0.122 20 0 ACADHN CC[C@H](C)[C@@H](C)NC(=O)CN 42558568 409352054 /nfs/dbraw/zinc/35/20/54/409352054.db2.gz XWAVLMCRZYMJMO-NKWVEPMBSA-N 0 3 158.245 0.496 20 0 ACADHN CC[C@@H](C)[C@H](C)NC(=O)CNC 42558720 409352124 /nfs/dbraw/zinc/35/21/24/409352124.db2.gz ZKPZODAMXLWKJS-SFYZADRCSA-N 0 3 172.272 0.757 20 0 ACADHN CC[C@@H](C)[C@@H](C)NC(=O)CN 42558565 409352146 /nfs/dbraw/zinc/35/21/46/409352146.db2.gz XWAVLMCRZYMJMO-RNFRBKRXSA-N 0 3 158.245 0.496 20 0 ACADHN CC[C@H](C)[C@H](C)NC(=O)CN 42558574 409352187 /nfs/dbraw/zinc/35/21/87/409352187.db2.gz XWAVLMCRZYMJMO-BQBZGAKWSA-N 0 3 158.245 0.496 20 0 ACADHN CNCC(=O)N(CC1CC1)C(C)C 42591687 409352333 /nfs/dbraw/zinc/35/23/33/409352333.db2.gz IEKKWORPZBXJBH-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN CC(C)N(CC1CC1)C(=O)CN 42591532 409352394 /nfs/dbraw/zinc/35/23/94/409352394.db2.gz HLXCIFLNWWNBCV-UHFFFAOYSA-N 0 3 170.256 0.592 20 0 ACADHN CCN1CCC(N(C)CC(C)=O)CC1 42680933 409352546 /nfs/dbraw/zinc/35/25/46/409352546.db2.gz ZDPWSIYXNBMOJK-UHFFFAOYSA-N 0 3 198.310 0.992 20 0 ACADHN CC[C@@H](C)[C@@H](C)NC(=O)CNC 42558715 409352597 /nfs/dbraw/zinc/35/25/97/409352597.db2.gz ZKPZODAMXLWKJS-HTQZYQBOSA-N 0 3 172.272 0.757 20 0 ACADHN CC(C)N(CC1CC1)C(=O)[C@H](C)N 42591511 409352698 /nfs/dbraw/zinc/35/26/98/409352698.db2.gz VPCOTVYDSCCNGH-QMMMGPOBSA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@@H](C)[C@@H](C)NC(=O)[C@H](C)N 42558835 409352879 /nfs/dbraw/zinc/35/28/79/409352879.db2.gz NQKMWGUKWOJLQG-GJMOJQLCSA-N 0 3 172.272 0.884 20 0 ACADHN C[C@@H](N)C(=O)N1CCO[C@@H]2CCC[C@@H]21 43427457 409353072 /nfs/dbraw/zinc/35/30/72/409353072.db2.gz UBPFDWUSBMGPNS-HRDYMLBCSA-N 0 3 198.266 0.114 20 0 ACADHN CC[C@H](C)[C@@H](C)NC(=O)[C@H](C)N 42558838 409353751 /nfs/dbraw/zinc/35/37/51/409353751.db2.gz NQKMWGUKWOJLQG-BIIVOSGPSA-N 0 3 172.272 0.884 20 0 ACADHN CC[C@H](C)[C@H](C)NC(=O)[C@H](C)N 42558844 409354131 /nfs/dbraw/zinc/35/41/31/409354131.db2.gz NQKMWGUKWOJLQG-FXQIFTODSA-N 0 3 172.272 0.884 20 0 ACADHN C[C@H](N)C(=O)N(C)Cc1cscn1 42868647 409354268 /nfs/dbraw/zinc/35/42/68/409354268.db2.gz BFTWYLFWXVXZPJ-LURJTMIESA-N 0 3 199.279 0.449 20 0 ACADHN CNCC(=O)N(C)Cc1cscn1 42868714 409354279 /nfs/dbraw/zinc/35/42/79/409354279.db2.gz JWRBKOBWEOIVNR-UHFFFAOYSA-N 0 3 199.279 0.321 20 0 ACADHN CC[C@@H](C)[C@H](C)NC(=O)[C@H](C)N 42558841 409354441 /nfs/dbraw/zinc/35/44/41/409354441.db2.gz NQKMWGUKWOJLQG-CSMHCCOUSA-N 0 3 172.272 0.884 20 0 ACADHN CC[C@H](C)[C@H](C)NC(=O)CNC 42558722 409354604 /nfs/dbraw/zinc/35/46/04/409354604.db2.gz ZKPZODAMXLWKJS-YUMQZZPRSA-N 0 3 172.272 0.757 20 0 ACADHN CC(C)N(CC1CC1)C(=O)[C@@H](C)N 42591529 409354697 /nfs/dbraw/zinc/35/46/97/409354697.db2.gz VPCOTVYDSCCNGH-MRVPVSSYSA-N 0 3 184.283 0.981 20 0 ACADHN NC(=O)C[C@@H](N)Cc1ccccc1 44250706 409355526 /nfs/dbraw/zinc/35/55/26/409355526.db2.gz NDWZRNAVFZPUIR-VIFPVBQESA-N 0 3 178.235 0.432 20 0 ACADHN CC[C@@H](N)C(=O)NCCCCOC 44659916 409355908 /nfs/dbraw/zinc/35/59/08/409355908.db2.gz WYLHWCPYXJJWTI-MRVPVSSYSA-N 0 3 188.271 0.267 20 0 ACADHN CC[C@@H]1COCCN1CC[C@@H](C)O 44160496 409357165 /nfs/dbraw/zinc/35/71/65/409357165.db2.gz FQOYECKYAQPVIG-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H]1COCCN1CC[C@@H](C)O 44160498 409357399 /nfs/dbraw/zinc/35/73/99/409357399.db2.gz FQOYECKYAQPVIG-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H](N)C(=O)NCCCCOC 44659914 409358022 /nfs/dbraw/zinc/35/80/22/409358022.db2.gz WYLHWCPYXJJWTI-QMMMGPOBSA-N 0 3 188.271 0.267 20 0 ACADHN NC(=O)C[C@H](N)Cc1ccccc1 44250708 409358070 /nfs/dbraw/zinc/35/80/70/409358070.db2.gz NDWZRNAVFZPUIR-SECBINFHSA-N 0 3 178.235 0.432 20 0 ACADHN CC[C@@H](N)C(=O)NCc1cc(C)on1 44727164 409358968 /nfs/dbraw/zinc/35/89/68/409358968.db2.gz DBNRNYLEFTVLPD-MRVPVSSYSA-N 0 3 197.238 0.337 20 0 ACADHN Cc1cc(CNC(=O)C(C)(C)N)no1 44727077 409359224 /nfs/dbraw/zinc/35/92/24/409359224.db2.gz DPKBVIKMLCWPGY-UHFFFAOYSA-N 0 3 197.238 0.337 20 0 ACADHN CC[C@H](N)C(=O)NCc1cc(C)on1 44727163 409359657 /nfs/dbraw/zinc/35/96/57/409359657.db2.gz DBNRNYLEFTVLPD-QMMMGPOBSA-N 0 3 197.238 0.337 20 0 ACADHN Cc1cc(CNC(=O)C(C)(C)N)on1 45007085 409362250 /nfs/dbraw/zinc/36/22/50/409362250.db2.gz NGZIYCFIPFHESK-UHFFFAOYSA-N 0 3 197.238 0.337 20 0 ACADHN CC[C@@H](N)C(=O)NCc1cc(C)no1 45007156 409363055 /nfs/dbraw/zinc/36/30/55/409363055.db2.gz HEWGKRUBICOYJJ-MRVPVSSYSA-N 0 3 197.238 0.337 20 0 ACADHN CC[C@H](N)C(=O)NCc1cc(C)no1 45007153 409363760 /nfs/dbraw/zinc/36/37/60/409363760.db2.gz HEWGKRUBICOYJJ-QMMMGPOBSA-N 0 3 197.238 0.337 20 0 ACADHN CC(C)CCOCCNC(=O)CN 45109051 409364775 /nfs/dbraw/zinc/36/47/75/409364775.db2.gz MSXQBGFKZZKASX-UHFFFAOYSA-N 0 3 188.271 0.124 20 0 ACADHN CCN(CCO)Cc1cccnc1 47878787 409364791 /nfs/dbraw/zinc/36/47/91/409364791.db2.gz HPIAUDDBFHGFPT-UHFFFAOYSA-N 0 3 180.251 0.896 20 0 ACADHN C[C@H](N)C(=O)N(C)CC(C)(C)C 45087922 409365084 /nfs/dbraw/zinc/36/50/84/409365084.db2.gz SNUFURAQGPPKIY-ZETCQYMHSA-N 0 3 172.272 0.838 20 0 ACADHN CC[C@@H]1CCN([C@@H]2CC(=O)NC2=O)C1 653280381 409365326 /nfs/dbraw/zinc/36/53/26/409365326.db2.gz RWGJIJODMHCIBZ-HTQZYQBOSA-N 0 3 196.250 0.133 20 0 ACADHN CC[C@H](NC(=O)CN)[C@H]1CCCO1 653173073 409365541 /nfs/dbraw/zinc/36/55/41/409365541.db2.gz ZEDJJCSBCPKUER-JGVFFNPUSA-N 0 3 186.255 0.019 20 0 ACADHN CCCCOCCCNC(=O)CN 45919616 409365565 /nfs/dbraw/zinc/36/55/65/409365565.db2.gz NLZDKDUAISGQAH-UHFFFAOYSA-N 0 3 188.271 0.268 20 0 ACADHN CCC[C@H](C)N(C)CC(N)=O 47878860 409365597 /nfs/dbraw/zinc/36/55/97/409365597.db2.gz KSVQFHAHXOOQFJ-ZETCQYMHSA-N 0 3 158.245 0.592 20 0 ACADHN CCN(CC(N)=O)CC(C)C 47848388 409365696 /nfs/dbraw/zinc/36/56/96/409365696.db2.gz UFPRRMSYEITQKI-UHFFFAOYSA-N 0 3 158.245 0.450 20 0 ACADHN CC1(C)CN[C@@H]1C(=O)N1CCCCN1 653172099 409365867 /nfs/dbraw/zinc/36/58/67/409365867.db2.gz YFBXUKJXXPBTHY-MRVPVSSYSA-N 0 3 197.282 0.111 20 0 ACADHN CC1(C)CN[C@H]1C(=O)N1CCCCN1 653172100 409365890 /nfs/dbraw/zinc/36/58/90/409365890.db2.gz YFBXUKJXXPBTHY-QMMMGPOBSA-N 0 3 197.282 0.111 20 0 ACADHN CCCCN(CC(N)=O)C1CC1 47848444 409365944 /nfs/dbraw/zinc/36/59/44/409365944.db2.gz BPVDCMKJWAADSL-UHFFFAOYSA-N 0 3 170.256 0.736 20 0 ACADHN CCCN[C@H](C)C(=O)N1CCCCN1 653171918 409366121 /nfs/dbraw/zinc/36/61/21/409366121.db2.gz OYLRPPWEZNACNY-SECBINFHSA-N 0 3 199.298 0.502 20 0 ACADHN CC(C)N(CC(N)=O)CC1CC1 47861640 409366248 /nfs/dbraw/zinc/36/62/48/409366248.db2.gz KCDLUUIUSFWGPS-UHFFFAOYSA-N 0 3 170.256 0.592 20 0 ACADHN CC(C)(C)C[C@@H]1C[C@H]1NC(=O)CN 653201290 409366282 /nfs/dbraw/zinc/36/62/82/409366282.db2.gz CZSLNVADAVMKHA-JGVFFNPUSA-N 0 3 184.283 0.886 20 0 ACADHN CCCN[C@@H](C)C(=O)N1CCCCN1 653171919 409366332 /nfs/dbraw/zinc/36/63/32/409366332.db2.gz OYLRPPWEZNACNY-VIFPVBQESA-N 0 3 199.298 0.502 20 0 ACADHN CC[C@H]1CCN([C@@H]2CC(=O)NC2=O)C1 653280382 409366482 /nfs/dbraw/zinc/36/64/82/409366482.db2.gz RWGJIJODMHCIBZ-JGVFFNPUSA-N 0 3 196.250 0.133 20 0 ACADHN O=C(CNCC1CC1)N1CCCCN1 653170464 409366636 /nfs/dbraw/zinc/36/66/36/409366636.db2.gz DDSQAVVKPZEAAG-UHFFFAOYSA-N 0 3 197.282 0.113 20 0 ACADHN CC[C@@H](NC(=O)CN)[C@@H]1CCCO1 653173074 409366711 /nfs/dbraw/zinc/36/67/11/409366711.db2.gz ZEDJJCSBCPKUER-SFYZADRCSA-N 0 3 186.255 0.019 20 0 ACADHN CC[C@H]1CCN([C@H]2CC(=O)NC2=O)C1 653280384 409366779 /nfs/dbraw/zinc/36/67/79/409366779.db2.gz RWGJIJODMHCIBZ-YUMQZZPRSA-N 0 3 196.250 0.133 20 0 ACADHN CCC[C@@H](C)N(C)CC(N)=O 47878857 409366848 /nfs/dbraw/zinc/36/68/48/409366848.db2.gz KSVQFHAHXOOQFJ-SSDOTTSWSA-N 0 3 158.245 0.592 20 0 ACADHN CC[C@@H](NC(=O)CN)[C@H]1CCCO1 653173072 409366856 /nfs/dbraw/zinc/36/68/56/409366856.db2.gz ZEDJJCSBCPKUER-HTQZYQBOSA-N 0 3 186.255 0.019 20 0 ACADHN CC[C@@H]1CCN([C@H]2CC(=O)NC2=O)C1 653280383 409366888 /nfs/dbraw/zinc/36/68/88/409366888.db2.gz RWGJIJODMHCIBZ-SFYZADRCSA-N 0 3 196.250 0.133 20 0 ACADHN CC[C@H](NC(=O)CN)[C@@H]1CCCO1 653173075 409366921 /nfs/dbraw/zinc/36/69/21/409366921.db2.gz ZEDJJCSBCPKUER-YUMQZZPRSA-N 0 3 186.255 0.019 20 0 ACADHN CC(C)[C@H](C)N(C)CC(N)=O 47878848 409366979 /nfs/dbraw/zinc/36/69/79/409366979.db2.gz OADPCJPFDFTPRN-ZETCQYMHSA-N 0 3 158.245 0.448 20 0 ACADHN CC(C)[C@@H](C)N(C)CC(N)=O 47878845 409367059 /nfs/dbraw/zinc/36/70/59/409367059.db2.gz OADPCJPFDFTPRN-SSDOTTSWSA-N 0 3 158.245 0.448 20 0 ACADHN CN(CCO)CCc1ccncc1 47979805 409367828 /nfs/dbraw/zinc/36/78/28/409367828.db2.gz JUABXBYETDUHQO-UHFFFAOYSA-N 0 3 180.251 0.548 20 0 ACADHN CCN(CCO)CCc1ccccn1 47979893 409368079 /nfs/dbraw/zinc/36/80/79/409368079.db2.gz WHBWCRJKVPCUDG-UHFFFAOYSA-N 0 3 194.278 0.938 20 0 ACADHN CN(CCC(N)=O)Cc1cccnc1 47979383 409368402 /nfs/dbraw/zinc/36/84/02/409368402.db2.gz JDXOZDKLUXFWGD-UHFFFAOYSA-N 0 3 193.250 0.389 20 0 ACADHN c1cnc(NCCN2CCCC2)cn1 48322186 409368430 /nfs/dbraw/zinc/36/84/30/409368430.db2.gz UBUBEFINMWOFSC-UHFFFAOYSA-N 0 3 192.266 0.984 20 0 ACADHN CC(C)OCCN(CCO)C1CC1 48347559 409368518 /nfs/dbraw/zinc/36/85/18/409368518.db2.gz IDXKTNPUURYZAR-UHFFFAOYSA-N 0 3 187.283 0.868 20 0 ACADHN CCN(CC(N)=O)C1CCCC1 48069002 409369204 /nfs/dbraw/zinc/36/92/04/409369204.db2.gz XWBCCUGNKZKDEA-UHFFFAOYSA-N 0 3 170.256 0.736 20 0 ACADHN CCc1nnc(C[NH2+]C(C)C)[n-]1 48630837 409369381 /nfs/dbraw/zinc/36/93/81/409369381.db2.gz MWIUNGFPQBUXKT-UHFFFAOYSA-N 0 3 168.244 0.865 20 0 ACADHN OCCN(C[C@H]1CCCO1)C1CC1 48347585 409369739 /nfs/dbraw/zinc/36/97/39/409369739.db2.gz POZAKWUZJAXTRO-SNVBAGLBSA-N 0 3 185.267 0.622 20 0 ACADHN Cc1ccc(CN(C)CCC(N)=O)o1 47979325 409369764 /nfs/dbraw/zinc/36/97/64/409369764.db2.gz ACGSZKRSHMCSBT-UHFFFAOYSA-N 0 3 196.250 0.895 20 0 ACADHN CCc1nnc(CNCC2CC2)[nH]1 48630823 409369916 /nfs/dbraw/zinc/36/99/16/409369916.db2.gz RNLFILIWOJFBNY-UHFFFAOYSA-N 0 3 180.255 0.867 20 0 ACADHN CCc1nnc(C[NH2+]CC2CC2)[n-]1 48630823 409369920 /nfs/dbraw/zinc/36/99/20/409369920.db2.gz RNLFILIWOJFBNY-UHFFFAOYSA-N 0 3 180.255 0.867 20 0 ACADHN OCCN(C[C@@H]1CCCO1)C1CC1 48347587 409370418 /nfs/dbraw/zinc/37/04/18/409370418.db2.gz POZAKWUZJAXTRO-JTQLQIEISA-N 0 3 185.267 0.622 20 0 ACADHN CCCN(CC(N)=O)C(C)C 48068283 409370600 /nfs/dbraw/zinc/37/06/00/409370600.db2.gz QXXNFTJDYOWARD-UHFFFAOYSA-N 0 3 158.245 0.592 20 0 ACADHN NC(=O)N[C@H]1CCCN2CCCC[C@@H]12 653481177 409371551 /nfs/dbraw/zinc/37/15/51/409371551.db2.gz AAZQFDPGGDULSM-IUCAKERBSA-N 0 3 197.282 0.672 20 0 ACADHN CN[C@@H](C)c1nc(C2(N)CCC2)no1 653490798 409371691 /nfs/dbraw/zinc/37/16/91/409371691.db2.gz ZTRLNFQUBIDZHG-LURJTMIESA-N 0 3 196.254 0.688 20 0 ACADHN NC(=O)N[C@@H]1CCCN2CCCC[C@H]12 653481178 409371721 /nfs/dbraw/zinc/37/17/21/409371721.db2.gz AAZQFDPGGDULSM-RKDXNWHRSA-N 0 3 197.282 0.672 20 0 ACADHN C[C@H](Cc1ccsc1)NC(=O)CN 49185079 409371769 /nfs/dbraw/zinc/37/17/69/409371769.db2.gz RVOVABVGRJXHFM-SSDOTTSWSA-N 0 3 198.291 0.754 20 0 ACADHN OCCN(CCn1cccn1)C1CC1 49572785 409372506 /nfs/dbraw/zinc/37/25/06/409372506.db2.gz MASFDRBCPPLUBW-UHFFFAOYSA-N 0 3 195.266 0.340 20 0 ACADHN NC(=O)N[C@H]1CCCN2CCCC[C@H]12 653481176 409372770 /nfs/dbraw/zinc/37/27/70/409372770.db2.gz AAZQFDPGGDULSM-DTWKUNHWSA-N 0 3 197.282 0.672 20 0 ACADHN CCC(C)(C)N1CCN(C(N)=O)CC1 653478358 409372777 /nfs/dbraw/zinc/37/27/77/409372777.db2.gz ABRKIXDCMWCPAW-UHFFFAOYSA-N 0 3 199.298 0.871 20 0 ACADHN NC(=O)N[C@@H]1CCCN2CCCC[C@@H]12 653481175 409372970 /nfs/dbraw/zinc/37/29/70/409372970.db2.gz AAZQFDPGGDULSM-BDAKNGLRSA-N 0 3 197.282 0.672 20 0 ACADHN CC(C)OCCNCc1cnn(C)c1 49259553 409373072 /nfs/dbraw/zinc/37/30/72/409373072.db2.gz RBJKMCXWWGWMGQ-UHFFFAOYSA-N 0 3 197.282 0.935 20 0 ACADHN CCN(CCO)CCn1cccn1 49572766 409373122 /nfs/dbraw/zinc/37/31/22/409373122.db2.gz BGDKPMOMMFMEGJ-UHFFFAOYSA-N 0 3 183.255 0.197 20 0 ACADHN CCN1CCN(CC)[C@@H](CCO)C1 653702541 409373771 /nfs/dbraw/zinc/37/37/71/409373771.db2.gz CVWBXTFBWXKKQA-JTQLQIEISA-N 0 3 186.299 0.395 20 0 ACADHN CC(C)OCCN1CCC[C@@H](O)C1 49773524 409373959 /nfs/dbraw/zinc/37/39/59/409373959.db2.gz WCWDVUHKZUOMFH-SNVBAGLBSA-N 0 3 187.283 0.868 20 0 ACADHN CCN1CCC(N2CN=NC2=O)CC1 653653117 409374288 /nfs/dbraw/zinc/37/42/88/409374288.db2.gz VAARAEJGJSMXMR-UHFFFAOYSA-N 0 3 196.254 0.641 20 0 ACADHN CCN1CCN(CC)[C@H](CCO)C1 653702542 409374630 /nfs/dbraw/zinc/37/46/30/409374630.db2.gz CVWBXTFBWXKKQA-SNVBAGLBSA-N 0 3 186.299 0.395 20 0 ACADHN CNC(=O)CCCN1CC=CCC1 653609718 409374813 /nfs/dbraw/zinc/37/48/13/409374813.db2.gz ALBUVARMMIQSTC-UHFFFAOYSA-N 0 3 182.267 0.775 20 0 ACADHN CC(C)=CCN1C[C@H](O)[C@@H](N(C)C)C1 653685398 409375080 /nfs/dbraw/zinc/37/50/80/409375080.db2.gz BWLWNRPSQRQWDP-QWRGUYRKSA-N 0 3 198.310 0.559 20 0 ACADHN CCC[C@@H](O)CN(C)CCOC 50193515 409375457 /nfs/dbraw/zinc/37/54/57/409375457.db2.gz UTXAVTGWOLEHCH-SECBINFHSA-N 0 3 175.272 0.726 20 0 ACADHN CCC[C@H](O)CN(C)CCOC 50193514 409377012 /nfs/dbraw/zinc/37/70/12/409377012.db2.gz UTXAVTGWOLEHCH-VIFPVBQESA-N 0 3 175.272 0.726 20 0 ACADHN NC(=O)[C@@]1(NCCC2CC2)CCOC1 653841860 409379864 /nfs/dbraw/zinc/37/98/64/409379864.db2.gz MZWJKJMZGVIZDX-SNVBAGLBSA-N 0 3 198.266 0.021 20 0 ACADHN NC(=O)[C@@]1(NCC2CCC2)CCOC1 653841448 409379943 /nfs/dbraw/zinc/37/99/43/409379943.db2.gz CNUZYCKTKWWQEH-SNVBAGLBSA-N 0 3 198.266 0.021 20 0 ACADHN CCCCN[C@@]1(C(N)=O)CCOC1 653841452 409380095 /nfs/dbraw/zinc/38/00/95/409380095.db2.gz CVAMTLCMVXRBJG-VIFPVBQESA-N 0 3 186.255 0.021 20 0 ACADHN NC(=O)[C@]1(NCC2CCC2)CCOC1 653841447 409380625 /nfs/dbraw/zinc/38/06/25/409380625.db2.gz CNUZYCKTKWWQEH-JTQLQIEISA-N 0 3 198.266 0.021 20 0 ACADHN NC(=O)[C@]1(NCCC2CC2)CCOC1 653841859 409381016 /nfs/dbraw/zinc/38/10/16/409381016.db2.gz MZWJKJMZGVIZDX-JTQLQIEISA-N 0 3 198.266 0.021 20 0 ACADHN CCN(CCO)Cc1ccc(N)nc1 50814526 409381067 /nfs/dbraw/zinc/38/10/67/409381067.db2.gz IGMXQNDNTCUARQ-UHFFFAOYSA-N 0 3 195.266 0.478 20 0 ACADHN CCOCCN(C[C@@H](C)O)C1CC1 653895994 409382017 /nfs/dbraw/zinc/38/20/17/409382017.db2.gz JVXZUQHLABZGPA-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN CCOCCN(C[C@H](C)O)C1CC1 653895995 409382040 /nfs/dbraw/zinc/38/20/40/409382040.db2.gz JVXZUQHLABZGPA-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN C[C@@H](O)CN(Cc1cnc[nH]1)C1CC1 653901589 409383431 /nfs/dbraw/zinc/38/34/31/409383431.db2.gz BVOTYXLVVUPZMR-MRVPVSSYSA-N 0 3 195.266 0.755 20 0 ACADHN C[C@H](O)CN(Cc1cnc[nH]1)C1CC1 653901590 409383681 /nfs/dbraw/zinc/38/36/81/409383681.db2.gz BVOTYXLVVUPZMR-QMMMGPOBSA-N 0 3 195.266 0.755 20 0 ACADHN CNCC(=O)NCc1ccc(C)o1 53038502 409383746 /nfs/dbraw/zinc/38/37/46/409383746.db2.gz YDZWVDQEWADQHD-UHFFFAOYSA-N 0 3 182.223 0.424 20 0 ACADHN CC[C@H](N)C(=O)NCc1ccc(C)o1 53038662 409384000 /nfs/dbraw/zinc/38/40/00/409384000.db2.gz NHSCKUXNGXNKEF-VIFPVBQESA-N 0 3 196.250 0.942 20 0 ACADHN CCOCCCNC(=O)[C@H](C)NC 52395719 409384435 /nfs/dbraw/zinc/38/44/35/409384435.db2.gz YIYITFSBQWYRRX-QMMMGPOBSA-N 0 3 188.271 0.137 20 0 ACADHN Cc1ccc(CNC(=O)[C@H](C)N)o1 53038244 409384711 /nfs/dbraw/zinc/38/47/11/409384711.db2.gz LRBFYEAXCOIWCC-ZETCQYMHSA-N 0 3 182.223 0.551 20 0 ACADHN CN(CCC(N)=O)Cc1ccncc1 53674311 409387585 /nfs/dbraw/zinc/38/75/85/409387585.db2.gz RVYQJCKWMIDFBP-UHFFFAOYSA-N 0 3 193.250 0.389 20 0 ACADHN C[C@@H](C1CC1)N(C)CC(N)=O 53674211 409387672 /nfs/dbraw/zinc/38/76/72/409387672.db2.gz XBWRVZSOUPOWPZ-LURJTMIESA-N 0 3 156.229 0.202 20 0 ACADHN C[C@H](C1CC1)N(C)CC(N)=O 53674213 409388339 /nfs/dbraw/zinc/38/83/39/409388339.db2.gz XBWRVZSOUPOWPZ-ZCFIWIBFSA-N 0 3 156.229 0.202 20 0 ACADHN C[NH2+]CCNC(=O)c1ccccc1[O-] 54244280 409390595 /nfs/dbraw/zinc/39/05/95/409390595.db2.gz LGDYXEFVFYUHAR-UHFFFAOYSA-N 0 3 194.234 0.341 20 0 ACADHN CC(C)CN(CC(N)=O)C1CC1 55386769 409394863 /nfs/dbraw/zinc/39/48/63/409394863.db2.gz JGAJEDMUVAWOLZ-UHFFFAOYSA-N 0 3 170.256 0.592 20 0 ACADHN CC(C)C[C@@H](C)N(C)CC(N)=O 55481958 409393715 /nfs/dbraw/zinc/39/37/15/409393715.db2.gz UHAJGUXFANDIFC-MRVPVSSYSA-N 0 3 172.272 0.838 20 0 ACADHN CCCN(CC)CC(=O)N(C)C 58210822 409394723 /nfs/dbraw/zinc/39/47/23/409394723.db2.gz PKNHLWJSCQRUJZ-UHFFFAOYSA-N 0 3 172.272 0.807 20 0 ACADHN Cc1ccc(CCNC(=O)CN)cc1 57488643 409394845 /nfs/dbraw/zinc/39/48/45/409394845.db2.gz JJNIAXALOLUOTN-UHFFFAOYSA-N 0 3 192.262 0.612 20 0 ACADHN C[C@H](N(C)CC(N)=O)C(C)(C)C 55481864 409395637 /nfs/dbraw/zinc/39/56/37/409395637.db2.gz CIYDJDBFLGYQHL-ZETCQYMHSA-N 0 3 172.272 0.838 20 0 ACADHN C[C@@H](N(C)CC(N)=O)C(C)(C)C 55481866 409396160 /nfs/dbraw/zinc/39/61/60/409396160.db2.gz CIYDJDBFLGYQHL-SSDOTTSWSA-N 0 3 172.272 0.838 20 0 ACADHN CC(C)C[C@H](C)N(C)CC(N)=O 55481961 409396205 /nfs/dbraw/zinc/39/62/05/409396205.db2.gz UHAJGUXFANDIFC-QMMMGPOBSA-N 0 3 172.272 0.838 20 0 ACADHN Cc1occc1CNC(=O)C(C)(C)N 654836161 409396394 /nfs/dbraw/zinc/39/63/94/409396394.db2.gz DDIFHHNXLHJDSH-UHFFFAOYSA-N 0 3 196.250 0.942 20 0 ACADHN CCC(=O)NC[C@@H]1CCCN1CC 60145063 409397191 /nfs/dbraw/zinc/39/71/91/409397191.db2.gz YKRYWXMRDZTOBO-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CC(C)CNCc1nnc2n1CCC2 61547632 409397481 /nfs/dbraw/zinc/39/74/81/409397481.db2.gz VQELACDGODDTDK-UHFFFAOYSA-N 0 3 194.282 0.970 20 0 ACADHN CCC1(C)CCN(CC(N)=O)CC1 60941662 409397795 /nfs/dbraw/zinc/39/77/95/409397795.db2.gz VYRIIVNQBOMXHI-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN CCC(=O)NC[C@H]1CCCN1CC 60145064 409398486 /nfs/dbraw/zinc/39/84/86/409398486.db2.gz YKRYWXMRDZTOBO-SECBINFHSA-N 0 3 184.283 0.997 20 0 ACADHN CCN1CCC(NC(C)=O)CC1 60313758 409398662 /nfs/dbraw/zinc/39/86/62/409398662.db2.gz XJHRURAVDYAEGH-UHFFFAOYSA-N 0 3 170.256 0.607 20 0 ACADHN CNCC(=O)Nc1cnn(C(C)C)c1 61683543 409400193 /nfs/dbraw/zinc/40/01/93/409400193.db2.gz AIQDLBFFTUJIQI-UHFFFAOYSA-N 0 3 196.254 0.622 20 0 ACADHN COc1cc(CNC[C@H](C)O)ccn1 62070135 409400767 /nfs/dbraw/zinc/40/07/67/409400767.db2.gz PWJMAMAVSVZQMD-QMMMGPOBSA-N 0 3 196.250 0.561 20 0 ACADHN COc1cc(CNC[C@@H](C)O)ccn1 62070136 409402521 /nfs/dbraw/zinc/40/25/21/409402521.db2.gz PWJMAMAVSVZQMD-MRVPVSSYSA-N 0 3 196.250 0.561 20 0 ACADHN CC(=O)CN1CC[C@@H](N2CCCC2)C1 62981621 409403498 /nfs/dbraw/zinc/40/34/98/409403498.db2.gz RPXOFFBBGXDSFE-LLVKDONJSA-N 0 3 196.294 0.746 20 0 ACADHN C[C@H](O)CN[C@@H](CO)c1ccccc1 63002011 409404034 /nfs/dbraw/zinc/40/40/34/409404034.db2.gz PWZZFDRFINCJAK-ONGXEEELSA-N 0 3 195.262 0.690 20 0 ACADHN CC(=O)CN1CC[C@H](N2CCCC2)C1 62981620 409404146 /nfs/dbraw/zinc/40/41/46/409404146.db2.gz RPXOFFBBGXDSFE-NSHDSACASA-N 0 3 196.294 0.746 20 0 ACADHN C[C@@H](O)CN[C@H](CO)c1ccccc1 63002014 409404228 /nfs/dbraw/zinc/40/42/28/409404228.db2.gz PWZZFDRFINCJAK-MWLCHTKSSA-N 0 3 195.262 0.690 20 0 ACADHN CCN(CC)[C@@H]1CCN(CC(C)=O)C1 62966972 409404466 /nfs/dbraw/zinc/40/44/66/409404466.db2.gz SOLVYWWMLZGERY-LLVKDONJSA-N 0 3 198.310 0.992 20 0 ACADHN C[C@H](O)CN[C@H](CO)c1ccccc1 63002013 409404531 /nfs/dbraw/zinc/40/45/31/409404531.db2.gz PWZZFDRFINCJAK-GXSJLCMTSA-N 0 3 195.262 0.690 20 0 ACADHN CCN(CC)[C@H]1CCN(CC(C)=O)C1 62966973 409404611 /nfs/dbraw/zinc/40/46/11/409404611.db2.gz SOLVYWWMLZGERY-NSHDSACASA-N 0 3 198.310 0.992 20 0 ACADHN CC(=O)CN(C)CCN1CCCC1 63052481 409404861 /nfs/dbraw/zinc/40/48/61/409404861.db2.gz XFTZCHKUNILYLW-UHFFFAOYSA-N 0 3 184.283 0.603 20 0 ACADHN C[C@@H](O)CN[C@@H](CO)c1ccccc1 63002012 409405119 /nfs/dbraw/zinc/40/51/19/409405119.db2.gz PWZZFDRFINCJAK-KOLCDFICSA-N 0 3 195.262 0.690 20 0 ACADHN CCN(CC1CC1)C(=O)[C@@H](C)N 68946982 409405954 /nfs/dbraw/zinc/40/59/54/409405954.db2.gz AXBCHKNGOSUHSU-SSDOTTSWSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@@H](N)C(=O)N(CC)CC1CC1 68946992 409406241 /nfs/dbraw/zinc/40/62/41/409406241.db2.gz UKKMPNLPXAIUAW-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN CCN(CC1CC1)C(=O)CNC1CC1 68946955 409406430 /nfs/dbraw/zinc/40/64/30/409406430.db2.gz ZBLLLVZOKDMNII-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CC[C@H](N)C(=O)N(CC)CC1CC1 68946990 409406523 /nfs/dbraw/zinc/40/65/23/409406523.db2.gz UKKMPNLPXAIUAW-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN C[C@@H](O)CN(C)CCc1cccnc1 63224163 409407039 /nfs/dbraw/zinc/40/70/39/409407039.db2.gz LMXAGRAFZLEHCB-SNVBAGLBSA-N 0 3 194.278 0.937 20 0 ACADHN CCN(CC1CC1)C(=O)[C@H](C)NC 68947005 409407170 /nfs/dbraw/zinc/40/71/70/409407170.db2.gz MSPSJUXVBYNTRR-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN CCN(CC1CC1)C(=O)[C@H](C)N 68946984 409407261 /nfs/dbraw/zinc/40/72/61/409407261.db2.gz AXBCHKNGOSUHSU-ZETCQYMHSA-N 0 3 170.256 0.592 20 0 ACADHN CNCC(=O)NCc1ccsc1 63154746 409407336 /nfs/dbraw/zinc/40/73/36/409407336.db2.gz QPYGUAJWBNFTNG-UHFFFAOYSA-N 0 3 184.264 0.584 20 0 ACADHN CN[C@@H](C)C(=O)Nc1ccc(N)nc1 655415777 409407566 /nfs/dbraw/zinc/40/75/66/409407566.db2.gz GCGUVGQISCXMLT-LURJTMIESA-N 0 3 194.238 0.210 20 0 ACADHN CN[C@@H](C)C(=O)Nc1ccccc1N 655412770 409407726 /nfs/dbraw/zinc/40/77/26/409407726.db2.gz ZFDBMISKEAEFRP-ZETCQYMHSA-N 0 3 193.250 0.815 20 0 ACADHN CCn1nccc1NC(=O)[C@H](C)NC 655421482 409408319 /nfs/dbraw/zinc/40/83/19/409408319.db2.gz KAPBKFCREYVQBY-ZETCQYMHSA-N 0 3 196.254 0.449 20 0 ACADHN CCN(CC1CC1)C(=O)C(C)(C)N 68947007 409408492 /nfs/dbraw/zinc/40/84/92/409408492.db2.gz NGPKRVFJZJLYOW-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN CCN(C(=O)[C@H](C)NC)C1CCC1 655438191 409408599 /nfs/dbraw/zinc/40/85/99/409408599.db2.gz VDXHJXWUFRNNCZ-QMMMGPOBSA-N 0 3 184.283 0.995 20 0 ACADHN CCN(CC1CC1)C(=O)CN 68947015 409409331 /nfs/dbraw/zinc/40/93/31/409409331.db2.gz SSUUGFOXXIFVDW-UHFFFAOYSA-N 0 3 156.229 0.204 20 0 ACADHN CN[C@@H](C)C(=O)N(C)c1nccs1 655428145 409409091 /nfs/dbraw/zinc/40/90/91/409409091.db2.gz KESXABWRUXLUHP-LURJTMIESA-N 0 3 199.279 0.714 20 0 ACADHN CN[C@@H](C)C(=O)N(C)Cc1ccon1 655438134 409409106 /nfs/dbraw/zinc/40/91/06/409409106.db2.gz SFAHWPWVPMBTNI-ZETCQYMHSA-N 0 3 197.238 0.241 20 0 ACADHN CN[C@@H](C)C(=O)NC1(C2CC2)CC1 655436791 409409202 /nfs/dbraw/zinc/40/92/02/409409202.db2.gz GKQCBSQCHCUHMT-ZETCQYMHSA-N 0 3 182.267 0.653 20 0 ACADHN CN[C@@H](C)C(=O)Nc1ccc[nH]c1=O 655446165 409409291 /nfs/dbraw/zinc/40/92/91/409409291.db2.gz FMAUYASMJIGKBA-LURJTMIESA-N 0 3 195.222 0.334 20 0 ACADHN CN[C@@H](C)C(=O)Nc1cnn(C)c1C 655437943 409409653 /nfs/dbraw/zinc/40/96/53/409409653.db2.gz IWNBQLSEZBQUSP-LURJTMIESA-N 0 3 196.254 0.275 20 0 ACADHN CCN(CC1CC1)C(=O)CNC 68947176 409409799 /nfs/dbraw/zinc/40/97/99/409409799.db2.gz LOKZPLVKKXYHQF-UHFFFAOYSA-N 0 3 170.256 0.464 20 0 ACADHN COCCn1cc(C(C)(C)N)nn1 69679329 409409840 /nfs/dbraw/zinc/40/98/40/409409840.db2.gz QENXMWSNCNTBQU-UHFFFAOYSA-N 0 3 184.243 0.118 20 0 ACADHN CN[C@@H](C)C(=O)N(C(C)C)C1CC1 655426593 409409849 /nfs/dbraw/zinc/40/98/49/409409849.db2.gz PJPIYOXQTYYLCX-QMMMGPOBSA-N 0 3 184.283 0.994 20 0 ACADHN CN[C@@H](C)C(=O)N1[C@@H](C)CC[C@H]1C 655441256 409409886 /nfs/dbraw/zinc/40/98/86/409409886.db2.gz GANDUZJRJLZJLC-YIZRAAEISA-N 0 3 184.283 0.994 20 0 ACADHN CN[C@@H](C)C(=O)N[C@@H]1C[C@H]1C1CCC1 655481435 409410655 /nfs/dbraw/zinc/41/06/55/409410655.db2.gz KPKSZQKIVXKKDY-UJNFCWOMSA-N 0 3 196.294 0.899 20 0 ACADHN CN[C@@H](C)C(=O)NCCC1(C)CC1 655477474 409410694 /nfs/dbraw/zinc/41/06/94/409410694.db2.gz NGPZMLNVNZBTMZ-QMMMGPOBSA-N 0 3 184.283 0.901 20 0 ACADHN CN[C@@H](C)C(=O)N[C@@H](C)[C@H](C)OC 655475486 409410711 /nfs/dbraw/zinc/41/07/11/409410711.db2.gz DSFIMYPXMUUIIO-FXQIFTODSA-N 0 3 188.271 0.134 20 0 ACADHN CN[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 655484028 409410956 /nfs/dbraw/zinc/41/09/56/409410956.db2.gz JWBDVEQWKYVLNF-KDXUFGMBSA-N 0 3 198.266 0.030 20 0 ACADHN CN[C@@H](C)C(=O)N[C@@H](C)[C@@H](C)OC 655475482 409411162 /nfs/dbraw/zinc/41/11/62/409411162.db2.gz DSFIMYPXMUUIIO-BIIVOSGPSA-N 0 3 188.271 0.134 20 0 ACADHN CC[C@H](N)C(=O)N(C)Cc1cn[nH]c1 69763512 409411297 /nfs/dbraw/zinc/41/12/97/409411297.db2.gz ADMAUPLVYGVOHR-QMMMGPOBSA-N 0 3 196.254 0.105 20 0 ACADHN C[C@H]1CSCCN1C[C@@H](C)O 69761313 409411527 /nfs/dbraw/zinc/41/15/27/409411527.db2.gz VGBPPPOKMVPEGP-JGVFFNPUSA-N 0 3 175.297 0.805 20 0 ACADHN CC[C@@H](N)C(=O)N(C)Cc1cn[nH]c1 69763515 409411558 /nfs/dbraw/zinc/41/15/58/409411558.db2.gz ADMAUPLVYGVOHR-MRVPVSSYSA-N 0 3 196.254 0.105 20 0 ACADHN CN[C@@H](C)C(=O)N(C)c1cccnc1 69764055 409411617 /nfs/dbraw/zinc/41/16/17/409411617.db2.gz SWFSQEDJGWILGO-QMMMGPOBSA-N 0 3 193.250 0.652 20 0 ACADHN CCNCc1cnc(N(C)C)n1C 69717938 409411670 /nfs/dbraw/zinc/41/16/70/409411670.db2.gz NYPLPSNHBUTQHO-UHFFFAOYSA-N 0 3 182.271 0.596 20 0 ACADHN C[C@@H](O)CN1CCSC[C@H]1C 69761312 409411765 /nfs/dbraw/zinc/41/17/65/409411765.db2.gz VGBPPPOKMVPEGP-HTQZYQBOSA-N 0 3 175.297 0.805 20 0 ACADHN C[C@H]1CSCCN1C(=O)[C@@H](C)N 69761775 409412020 /nfs/dbraw/zinc/41/20/20/409412020.db2.gz QSFYQMAYPIQPRH-NKWVEPMBSA-N 0 3 188.296 0.298 20 0 ACADHN CN(C)c1ncc(CNC2CC2)n1C 69717923 409412196 /nfs/dbraw/zinc/41/21/96/409412196.db2.gz FACVXYJIZQOELK-UHFFFAOYSA-N 0 3 194.282 0.738 20 0 ACADHN C[C@@H](N)C(=O)N1CCSC[C@H]1C 69761774 409412214 /nfs/dbraw/zinc/41/22/14/409412214.db2.gz QSFYQMAYPIQPRH-RNFRBKRXSA-N 0 3 188.296 0.298 20 0 ACADHN C[C@H](N)C(=O)N1CCSC[C@@H]1C 69761777 409412274 /nfs/dbraw/zinc/41/22/74/409412274.db2.gz QSFYQMAYPIQPRH-BQBZGAKWSA-N 0 3 188.296 0.298 20 0 ACADHN CNCC(=O)N1CCSC[C@H]1C 69761744 409412365 /nfs/dbraw/zinc/41/23/65/409412365.db2.gz WSWZCSBHAVVRAR-SSDOTTSWSA-N 0 3 188.296 0.170 20 0 ACADHN CN(Cc1cn[nH]c1)C(=O)C(C)(C)N 69763696 409412568 /nfs/dbraw/zinc/41/25/68/409412568.db2.gz OMECVLNHBAEBNF-UHFFFAOYSA-N 0 3 196.254 0.105 20 0 ACADHN CC[C@@H](N)C(=O)N(C)c1cccnc1 69764053 409412705 /nfs/dbraw/zinc/41/27/05/409412705.db2.gz FDMMKNKBRDHWIN-SECBINFHSA-N 0 3 193.250 0.782 20 0 ACADHN CNCC(=O)N1CCSC[C@@H]1C 69761745 409412751 /nfs/dbraw/zinc/41/27/51/409412751.db2.gz WSWZCSBHAVVRAR-ZETCQYMHSA-N 0 3 188.296 0.170 20 0 ACADHN C[C@H](N)C(=O)N1CCSC[C@H]1C 69761776 409412786 /nfs/dbraw/zinc/41/27/86/409412786.db2.gz QSFYQMAYPIQPRH-RQJHMYQMSA-N 0 3 188.296 0.298 20 0 ACADHN Cc1ncncc1[C@@H](C)NC[C@@H](C)O 655680451 409412976 /nfs/dbraw/zinc/41/29/76/409412976.db2.gz MNQOZZGRBISRCM-HTQZYQBOSA-N 0 3 195.266 0.816 20 0 ACADHN CCN(C(=O)[C@@H](C)N)c1cnn(C)c1 655522414 409413074 /nfs/dbraw/zinc/41/30/74/409413074.db2.gz URBAGYUMODRDGT-SSDOTTSWSA-N 0 3 196.254 0.120 20 0 ACADHN Cc1ncncc1[C@H](C)NC[C@@H](C)O 655680454 409413124 /nfs/dbraw/zinc/41/31/24/409413124.db2.gz MNQOZZGRBISRCM-SFYZADRCSA-N 0 3 195.266 0.816 20 0 ACADHN Cc1ncncc1[C@H](C)NCCCO 655684341 409413213 /nfs/dbraw/zinc/41/32/13/409413213.db2.gz OTAMFYYNMLBXPG-QMMMGPOBSA-N 0 3 195.266 0.818 20 0 ACADHN CCN(C(=O)[C@H](C)N)c1cnn(C)c1 655522415 409413254 /nfs/dbraw/zinc/41/32/54/409413254.db2.gz URBAGYUMODRDGT-ZETCQYMHSA-N 0 3 196.254 0.120 20 0 ACADHN CN[C@@H](C)C(=O)Nc1nc(C)c[nH]1 655609359 409413472 /nfs/dbraw/zinc/41/34/72/409413472.db2.gz WDGXZIJLSRVUGI-LURJTMIESA-N 0 3 182.227 0.265 20 0 ACADHN Cc1ncncc1[C@H](C)NC[C@H](C)O 655680456 409413487 /nfs/dbraw/zinc/41/34/87/409413487.db2.gz MNQOZZGRBISRCM-YUMQZZPRSA-N 0 3 195.266 0.816 20 0 ACADHN Cc1ncncc1[C@H](C)NCCO 655682441 409413541 /nfs/dbraw/zinc/41/35/41/409413541.db2.gz FVGODZAMSBGNTJ-ZETCQYMHSA-N 0 3 181.239 0.428 20 0 ACADHN Cc1ncncc1[C@@H](C)NC[C@H](C)O 655680452 409413906 /nfs/dbraw/zinc/41/39/06/409413906.db2.gz MNQOZZGRBISRCM-JGVFFNPUSA-N 0 3 195.266 0.816 20 0 ACADHN Cc1ncncc1[C@@H](C)NCCCO 655684340 409414209 /nfs/dbraw/zinc/41/42/09/409414209.db2.gz OTAMFYYNMLBXPG-MRVPVSSYSA-N 0 3 195.266 0.818 20 0 ACADHN Cc1ncncc1[C@@H](C)NCCO 655682440 409414373 /nfs/dbraw/zinc/41/43/73/409414373.db2.gz FVGODZAMSBGNTJ-SSDOTTSWSA-N 0 3 181.239 0.428 20 0 ACADHN Cc1ncncc1[C@@H](C)N[C@@H](C)CO 655718626 409415834 /nfs/dbraw/zinc/41/58/34/409415834.db2.gz DFSRFALUDXGSLH-IONNQARKSA-N 0 3 195.266 0.816 20 0 ACADHN Cc1ncncc1[C@H](C)N[C@H](C)CO 655698441 409415960 /nfs/dbraw/zinc/41/59/60/409415960.db2.gz DFSRFALUDXGSLH-APPZFPTMSA-N 0 3 195.266 0.816 20 0 ACADHN NCC(=O)N(CC1CC1)CC1CC1 70064224 409416051 /nfs/dbraw/zinc/41/60/51/409416051.db2.gz LVWVISKKXSUHHG-UHFFFAOYSA-N 0 3 182.267 0.594 20 0 ACADHN Cc1ncncc1[C@@H](C)N[C@H](C)CO 655698442 409416115 /nfs/dbraw/zinc/41/61/15/409416115.db2.gz DFSRFALUDXGSLH-VXNVDRBHSA-N 0 3 195.266 0.816 20 0 ACADHN CNCC(=O)N(CC1CC1)CC1CC1 70064263 409416246 /nfs/dbraw/zinc/41/62/46/409416246.db2.gz ZUIZNARGTVPPRY-UHFFFAOYSA-N 0 3 196.294 0.854 20 0 ACADHN Cc1ncncc1[C@H](C)N[C@@H](C)CO 655718625 409416542 /nfs/dbraw/zinc/41/65/42/409416542.db2.gz DFSRFALUDXGSLH-CBAPKCEASA-N 0 3 195.266 0.816 20 0 ACADHN C[C@@H](N)C(=O)N(CC1CC1)CC1CC1 70064227 409417116 /nfs/dbraw/zinc/41/71/16/409417116.db2.gz LDTPHWASEGBLEO-MRVPVSSYSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@H](N)C(=O)N(CC1CC1)CC1CC1 70064272 409417604 /nfs/dbraw/zinc/41/76/04/409417604.db2.gz LDTPHWASEGBLEO-QMMMGPOBSA-N 0 3 196.294 0.982 20 0 ACADHN CC(C)OC[C@H](O)CN(C)C1CC1 70187433 409418875 /nfs/dbraw/zinc/41/88/75/409418875.db2.gz QJYBEGDYFMUCBI-SNVBAGLBSA-N 0 3 187.283 0.867 20 0 ACADHN CN(CC(N)=O)CC1CCCC1 70154884 409419263 /nfs/dbraw/zinc/41/92/63/409419263.db2.gz FKOMTOPQWJHHGK-UHFFFAOYSA-N 0 3 170.256 0.594 20 0 ACADHN CC(C)OC[C@@H](O)CN(C)C1CC1 70187434 409419424 /nfs/dbraw/zinc/41/94/24/409419424.db2.gz QJYBEGDYFMUCBI-JTQLQIEISA-N 0 3 187.283 0.867 20 0 ACADHN CC(C)C(=O)NCCN1CCCC1 70225337 409421090 /nfs/dbraw/zinc/42/10/90/409421090.db2.gz MLCUCNVIDNEWLH-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CCC(=O)NCCN1CCCC1 70225339 409420807 /nfs/dbraw/zinc/42/08/07/409420807.db2.gz FLSRPJUZNYJERO-UHFFFAOYSA-N 0 3 170.256 0.608 20 0 ACADHN O=C(NCCN1CCCC1)C1CC1 70225340 409420969 /nfs/dbraw/zinc/42/09/69/409420969.db2.gz BCNCGZVPXMMVLK-UHFFFAOYSA-N 0 3 182.267 0.608 20 0 ACADHN CCCC(=O)NCCN1CCCC1 70225338 409421646 /nfs/dbraw/zinc/42/16/46/409421646.db2.gz HGLILCJNEKJFBO-UHFFFAOYSA-N 0 3 184.283 0.999 20 0 ACADHN CC(C)C(=O)NC[C@H](C)N(C)C 70226251 409422695 /nfs/dbraw/zinc/42/26/95/409422695.db2.gz HFGMCEJMUHWXHI-QMMMGPOBSA-N 0 3 172.272 0.709 20 0 ACADHN CC/C=C\CNC(=O)NCCN(C)C 656136827 409422714 /nfs/dbraw/zinc/42/27/14/409422714.db2.gz BMWFTUCEKXZNNE-WAYWQWQTSA-N 0 3 199.298 0.813 20 0 ACADHN CCC(=O)NC[C@H](C)N(C)C 70226245 409422729 /nfs/dbraw/zinc/42/27/29/409422729.db2.gz UNNKXPMHTDNJPZ-ZETCQYMHSA-N 0 3 158.245 0.463 20 0 ACADHN CC/C=C/CNC(=O)NCCN(C)C 656136821 409422851 /nfs/dbraw/zinc/42/28/51/409422851.db2.gz BMWFTUCEKXZNNE-AATRIKPKSA-N 0 3 199.298 0.813 20 0 ACADHN CCCC(=O)NC[C@@H](C)N(C)C 70226248 409422871 /nfs/dbraw/zinc/42/28/71/409422871.db2.gz AKLDQMBNAAPODT-MRVPVSSYSA-N 0 3 172.272 0.853 20 0 ACADHN CCOCC(=O)NC[C@@H](C)N(C)C 70226238 409423108 /nfs/dbraw/zinc/42/31/08/409423108.db2.gz REUIGVDJDAPVAS-MRVPVSSYSA-N 0 3 188.271 0.089 20 0 ACADHN C[C@@H](CNC(=O)c1ccco1)N(C)C 70226246 409423238 /nfs/dbraw/zinc/42/32/38/409423238.db2.gz IHFMOCKDWCCVDF-QMMMGPOBSA-N 0 3 196.250 0.960 20 0 ACADHN CCC(=O)NC[C@@H](C)N(C)C 70226244 409423525 /nfs/dbraw/zinc/42/35/25/409423525.db2.gz UNNKXPMHTDNJPZ-SSDOTTSWSA-N 0 3 158.245 0.463 20 0 ACADHN C[C@H](CNC(=O)C1CC1)N(C)C 70226243 409423681 /nfs/dbraw/zinc/42/36/81/409423681.db2.gz KROYPECJEJDQJK-SSDOTTSWSA-N 0 3 170.256 0.463 20 0 ACADHN CCCC(=O)NC[C@H](C)N(C)C 70226249 409423813 /nfs/dbraw/zinc/42/38/13/409423813.db2.gz AKLDQMBNAAPODT-QMMMGPOBSA-N 0 3 172.272 0.853 20 0 ACADHN CC(C)C(=O)NC[C@@H](C)N(C)C 70226250 409423848 /nfs/dbraw/zinc/42/38/48/409423848.db2.gz HFGMCEJMUHWXHI-MRVPVSSYSA-N 0 3 172.272 0.709 20 0 ACADHN C[C@H](CNC(=O)c1ccco1)N(C)C 70226247 409423860 /nfs/dbraw/zinc/42/38/60/409423860.db2.gz IHFMOCKDWCCVDF-MRVPVSSYSA-N 0 3 196.250 0.960 20 0 ACADHN C[C@@H](CNC(=O)N(C)C1CC1)N(C)C 656195823 409423933 /nfs/dbraw/zinc/42/39/33/409423933.db2.gz SYUIUNVTDRINNW-QMMMGPOBSA-N 0 3 199.298 0.740 20 0 ACADHN COC[C@@H](C)N[C@@H]1C[C@]1(C)OC 657790464 409496294 /nfs/dbraw/zinc/49/62/94/409496294.db2.gz RBGIXIVJMYQTPJ-HLTSFMKQSA-N 0 3 173.256 0.788 20 0 ACADHN CC(C)(C)[C@@H](N)c1cn(CCO)nn1 656435800 409429126 /nfs/dbraw/zinc/42/91/26/409429126.db2.gz JNWVSIHAGWWSJU-QMMMGPOBSA-N 0 3 198.270 0.316 20 0 ACADHN CC(C)n1cc(CCN(C)C)nn1 656440096 409429529 /nfs/dbraw/zinc/42/95/29/409429529.db2.gz LPQJOHMMMZHUQI-UHFFFAOYSA-N 0 3 182.271 0.963 20 0 ACADHN CC(C)(C)[C@H](N)c1cn(CCO)nn1 656435799 409429447 /nfs/dbraw/zinc/42/94/47/409429447.db2.gz JNWVSIHAGWWSJU-MRVPVSSYSA-N 0 3 198.270 0.316 20 0 ACADHN C[NH2+]CCC(=O)Nc1ccccc1[O-] 70609700 409430377 /nfs/dbraw/zinc/43/03/77/409430377.db2.gz ZKKNJEFUWZNSIB-UHFFFAOYSA-N 0 3 194.234 0.940 20 0 ACADHN COCCn1cc(CCN(C)C)nn1 656444174 409430813 /nfs/dbraw/zinc/43/08/13/409430813.db2.gz LFBPKMTXNHPFIF-UHFFFAOYSA-N 0 3 198.270 0.029 20 0 ACADHN CC[C@@H]1CN(C[C@@H](C)O)C[C@H](C)O1 656441884 409431116 /nfs/dbraw/zinc/43/11/16/409431116.db2.gz ATTOUNHYJPGNLN-KXUCPTDWSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H]1CN(C[C@H](C)O)C[C@H](C)O1 656441885 409431237 /nfs/dbraw/zinc/43/12/37/409431237.db2.gz ATTOUNHYJPGNLN-LPEHRKFASA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H]1CN(C[C@H](C)O)C[C@@H](C)O1 656441883 409431504 /nfs/dbraw/zinc/43/15/04/409431504.db2.gz ATTOUNHYJPGNLN-IVZWLZJFSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H]1CN(C[C@H](C)O)C[C@H](C)O1 656441882 409431626 /nfs/dbraw/zinc/43/16/26/409431626.db2.gz ATTOUNHYJPGNLN-GUBZILKMSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H]1CN(C[C@@H](C)O)C[C@@H](C)O1 656441881 409431755 /nfs/dbraw/zinc/43/17/55/409431755.db2.gz ATTOUNHYJPGNLN-BBBLOLIVSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H]1CN(C[C@@H](C)O)C[C@@H](C)O1 656441886 409431818 /nfs/dbraw/zinc/43/18/18/409431818.db2.gz ATTOUNHYJPGNLN-OPRDCNLKSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H]1CN(C[C@@H](C)O)C[C@H](C)O1 656441887 409432108 /nfs/dbraw/zinc/43/21/08/409432108.db2.gz ATTOUNHYJPGNLN-UTLUCORTSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H]1CN(C[C@H](C)O)C[C@@H](C)O1 656441880 409432241 /nfs/dbraw/zinc/43/22/41/409432241.db2.gz ATTOUNHYJPGNLN-AEJSXWLSSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H](COC)NC(=O)[C@H](N)CC 70626254 409432695 /nfs/dbraw/zinc/43/26/95/409432695.db2.gz YGDFJFKFVKZKMH-JGVFFNPUSA-N 0 3 188.271 0.265 20 0 ACADHN CC[C@@H](COC)NC(=O)[C@@H](N)CC 70626256 409432702 /nfs/dbraw/zinc/43/27/02/409432702.db2.gz YGDFJFKFVKZKMH-YUMQZZPRSA-N 0 3 188.271 0.265 20 0 ACADHN CN(C)CCc1cn(CCF)nn1 656454633 409432854 /nfs/dbraw/zinc/43/28/54/409432854.db2.gz GXYIEFFGKYRKGL-UHFFFAOYSA-N 0 3 186.234 0.352 20 0 ACADHN CC[C@H](COC)NC(=O)[C@H](C)NC 70626261 409432952 /nfs/dbraw/zinc/43/29/52/409432952.db2.gz CBHUJDJWHYSXBU-JGVFFNPUSA-N 0 3 188.271 0.136 20 0 ACADHN CC[C@@H](COC)NC(=O)[C@H](C)NC 70626260 409433362 /nfs/dbraw/zinc/43/33/62/409433362.db2.gz CBHUJDJWHYSXBU-YUMQZZPRSA-N 0 3 188.271 0.136 20 0 ACADHN CC[C@H](COC)NC(=O)C(C)(C)N 70626207 409433724 /nfs/dbraw/zinc/43/37/24/409433724.db2.gz UDEABPMUVTZKKU-SSDOTTSWSA-N 0 3 188.271 0.265 20 0 ACADHN CC[C@H](N)C(=O)N[C@H](CC)COC 70626257 409433609 /nfs/dbraw/zinc/43/36/09/409433609.db2.gz YGDFJFKFVKZKMH-SFYZADRCSA-N 0 3 188.271 0.265 20 0 ACADHN CN(C)CCc1cn(C2CC2)nn1 656455535 409433965 /nfs/dbraw/zinc/43/39/65/409433965.db2.gz BBWHCTBSNBJJPF-UHFFFAOYSA-N 0 3 180.255 0.717 20 0 ACADHN CC[C@@H](COC)NC(=O)C(C)(C)N 70626206 409434112 /nfs/dbraw/zinc/43/41/12/409434112.db2.gz UDEABPMUVTZKKU-ZETCQYMHSA-N 0 3 188.271 0.265 20 0 ACADHN CC[C@H](COC)NC(=O)[C@H](N)CC 70626255 409434340 /nfs/dbraw/zinc/43/43/40/409434340.db2.gz YGDFJFKFVKZKMH-HTQZYQBOSA-N 0 3 188.271 0.265 20 0 ACADHN CC[C@@H](N)C(=O)N(C)Cc1ncc[nH]1 70645729 409435202 /nfs/dbraw/zinc/43/52/02/409435202.db2.gz QMLMKIHBHDPXKI-SSDOTTSWSA-N 0 3 196.254 0.105 20 0 ACADHN CC(C)[C@@H](N)C(=O)NCc1ncc[nH]1 70646648 409435320 /nfs/dbraw/zinc/43/53/20/409435320.db2.gz NBGPYYKRYIVRHP-MRVPVSSYSA-N 0 3 196.254 0.009 20 0 ACADHN CC[C@H](N)C(=O)N(C)Cc1ncc[nH]1 70645728 409435395 /nfs/dbraw/zinc/43/53/95/409435395.db2.gz QMLMKIHBHDPXKI-ZETCQYMHSA-N 0 3 196.254 0.105 20 0 ACADHN CC(C)[C@H](N)C(=O)NCc1ncc[nH]1 70646647 409435416 /nfs/dbraw/zinc/43/54/16/409435416.db2.gz NBGPYYKRYIVRHP-QMMMGPOBSA-N 0 3 196.254 0.009 20 0 ACADHN CN(C)CCc1cn(CC2CC2)nn1 656463150 409435545 /nfs/dbraw/zinc/43/55/45/409435545.db2.gz CITBVEDQOHWLMI-UHFFFAOYSA-N 0 3 194.282 0.792 20 0 ACADHN CCC1(Cn2cc(CN)nn2)COC1 656465971 409435850 /nfs/dbraw/zinc/43/58/50/409435850.db2.gz OIKWLBNIQHCUJQ-UHFFFAOYSA-N 0 3 196.254 0.163 20 0 ACADHN C[C@@H](O)CN1C[C@@H](C)O[C@H](C2CC2)C1 656505252 409437108 /nfs/dbraw/zinc/43/71/08/409437108.db2.gz BAMLDHKFXWZOJT-KKZNHRDASA-N 0 3 199.294 0.867 20 0 ACADHN C[C@H]1CN(C[C@@H](C)O)C[C@H](C2CC2)O1 656505255 409437020 /nfs/dbraw/zinc/43/70/20/409437020.db2.gz BAMLDHKFXWZOJT-WCABBAIRSA-N 0 3 199.294 0.867 20 0 ACADHN C[C@@H](O)CN1C[C@H](C2CC2)O[C@H](C)C1 656505250 409437042 /nfs/dbraw/zinc/43/70/42/409437042.db2.gz BAMLDHKFXWZOJT-FXPVBKGRSA-N 0 3 199.294 0.867 20 0 ACADHN CCOCCN(C)CCc1cn[nH]c1 656487326 409437345 /nfs/dbraw/zinc/43/73/45/409437345.db2.gz YEOSFODTFHFDRV-UHFFFAOYSA-N 0 3 197.282 0.921 20 0 ACADHN C[C@H](O)CN1C[C@H](C)O[C@H](C2CC2)C1 656505254 409437716 /nfs/dbraw/zinc/43/77/16/409437716.db2.gz BAMLDHKFXWZOJT-QXEWZRGKSA-N 0 3 199.294 0.867 20 0 ACADHN C[C@H](O)CN1C[C@H](C2CC2)O[C@H](C)C1 656505251 409437762 /nfs/dbraw/zinc/43/77/62/409437762.db2.gz BAMLDHKFXWZOJT-IQJOONFLSA-N 0 3 199.294 0.867 20 0 ACADHN COCC1(N(C)C[C@@H](C)O)CC1 656482866 409437777 /nfs/dbraw/zinc/43/77/77/409437777.db2.gz SCMPLCYMXRITKK-MRVPVSSYSA-N 0 3 173.256 0.478 20 0 ACADHN C[C@H](O)CN1C[C@H](C)O[C@@H](C2CC2)C1 656505249 409437866 /nfs/dbraw/zinc/43/78/66/409437866.db2.gz BAMLDHKFXWZOJT-ATZCPNFKSA-N 0 3 199.294 0.867 20 0 ACADHN COCC1(N(C)C[C@H](C)O)CC1 656482867 409438090 /nfs/dbraw/zinc/43/80/90/409438090.db2.gz SCMPLCYMXRITKK-QMMMGPOBSA-N 0 3 173.256 0.478 20 0 ACADHN C[C@H](O)CN1C[C@@H](C)O[C@H](C2CC2)C1 656505253 409438263 /nfs/dbraw/zinc/43/82/63/409438263.db2.gz BAMLDHKFXWZOJT-NGZCFLSTSA-N 0 3 199.294 0.867 20 0 ACADHN C[C@H]1CN(C[C@@H](C)O)C[C@@H](C2CC2)O1 656505256 409438329 /nfs/dbraw/zinc/43/83/29/409438329.db2.gz BAMLDHKFXWZOJT-YWVKMMECSA-N 0 3 199.294 0.867 20 0 ACADHN CC1CCN(C[C@H](C)NC(N)=O)CC1 656554627 409442687 /nfs/dbraw/zinc/44/26/87/409442687.db2.gz MRYLPAOALPTMSH-VIFPVBQESA-N 0 3 199.298 0.775 20 0 ACADHN CC1CCN(C[C@@H](C)NC(N)=O)CC1 656554625 409443699 /nfs/dbraw/zinc/44/36/99/409443699.db2.gz MRYLPAOALPTMSH-SECBINFHSA-N 0 3 199.298 0.775 20 0 ACADHN CCOC1CN(Cc2cn[nH]c2C)C1 656657731 409444974 /nfs/dbraw/zinc/44/49/74/409444974.db2.gz HMFGSQCSFIYFAU-UHFFFAOYSA-N 0 3 195.266 0.939 20 0 ACADHN CC1(C)CN(C[C@]2(O)CCCOC2)C1 656699013 409446776 /nfs/dbraw/zinc/44/67/76/409446776.db2.gz GAXIANDGOGXGSR-LLVKDONJSA-N 0 3 199.294 0.870 20 0 ACADHN CC1(C)CN(C[C@@]2(O)CCCOC2)C1 656699014 409447239 /nfs/dbraw/zinc/44/72/39/409447239.db2.gz GAXIANDGOGXGSR-NSHDSACASA-N 0 3 199.294 0.870 20 0 ACADHN CN(C)CCNC(=O)NCC(F)F 656711258 409448499 /nfs/dbraw/zinc/44/84/99/409448499.db2.gz IVJNBOCVEDTHBS-UHFFFAOYSA-N 0 3 195.213 0.112 20 0 ACADHN CC(C)NC(=O)NCCN(C)C 103785025 409451095 /nfs/dbraw/zinc/45/10/95/409451095.db2.gz DMXGETHQFAIBPG-UHFFFAOYSA-N 0 3 173.260 0.256 20 0 ACADHN CCC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 657001839 409454510 /nfs/dbraw/zinc/45/45/10/409454510.db2.gz KKONDQPJOFWWMZ-DTWKUNHWSA-N 0 3 182.267 0.559 20 0 ACADHN CC(=O)N1C[C@H]2CCN(C)[C@H]2C1 657004062 409453987 /nfs/dbraw/zinc/45/39/87/409453987.db2.gz WTJLZKBHMPYSBM-BDAKNGLRSA-N 0 3 168.240 0.169 20 0 ACADHN COCCNCc1ccc(CO)cc1 107800268 409460123 /nfs/dbraw/zinc/46/01/23/409460123.db2.gz SNHVJTWYHSEOAJ-UHFFFAOYSA-N 0 3 195.262 0.915 20 0 ACADHN CCN1CCCN(CC(C)=O)CC1 108297220 409460196 /nfs/dbraw/zinc/46/01/96/409460196.db2.gz KCKFBMFTTTXQMS-UHFFFAOYSA-N 0 3 184.283 0.603 20 0 ACADHN Cc1nccn1CCc1c[nH]nn1 657255391 409462969 /nfs/dbraw/zinc/46/29/69/409462969.db2.gz LUFPLXFFDYDFQJ-UHFFFAOYSA-N 0 3 177.211 0.552 20 0 ACADHN CC[C@@H](C)C(=O)NCCN(C)C 113760922 409463865 /nfs/dbraw/zinc/46/38/65/409463865.db2.gz DMDGXZKWSPWKNP-MRVPVSSYSA-N 0 3 172.272 0.710 20 0 ACADHN CC[C@H](C)C(=O)NCCN(C)C 113760924 409463904 /nfs/dbraw/zinc/46/39/04/409463904.db2.gz DMDGXZKWSPWKNP-QMMMGPOBSA-N 0 3 172.272 0.710 20 0 ACADHN COC[C@H](C)N[C@@H]1COC[C@@H]1OC 657275772 409464188 /nfs/dbraw/zinc/46/41/88/409464188.db2.gz IGZUQORSXVHZMY-YIZRAAEISA-N 0 3 189.255 0.025 20 0 ACADHN COC[C@@H](C)N[C@@H]1COC[C@@H]1OC 657275771 409464336 /nfs/dbraw/zinc/46/43/36/409464336.db2.gz IGZUQORSXVHZMY-HLTSFMKQSA-N 0 3 189.255 0.025 20 0 ACADHN O=C1CC[C@@H](CN2CCCCC2)N1 117071960 409464570 /nfs/dbraw/zinc/46/45/70/409464570.db2.gz ZYBNXOHULXEPOA-VIFPVBQESA-N 0 3 182.267 0.751 20 0 ACADHN CNC(=O)C[C@@H](N)Cc1ccccc1 116901057 409464761 /nfs/dbraw/zinc/46/47/61/409464761.db2.gz OAPIOURIBXMELC-JTQLQIEISA-N 0 3 192.262 0.693 20 0 ACADHN COC[C@@H](C)NCc1cnc(C)n1C 657285257 409465213 /nfs/dbraw/zinc/46/52/13/409465213.db2.gz AJVDNEGEPDFDRR-MRVPVSSYSA-N 0 3 197.282 0.853 20 0 ACADHN Cc1ncc(CNC[C@@H](C)O)n1C 657284975 409465359 /nfs/dbraw/zinc/46/53/59/409465359.db2.gz UNJPCIXARSILQY-SSDOTTSWSA-N 0 3 183.255 0.199 20 0 ACADHN Cc1ncc(CNC[C@H](C)O)n1C 657284979 409465746 /nfs/dbraw/zinc/46/57/46/409465746.db2.gz UNJPCIXARSILQY-ZETCQYMHSA-N 0 3 183.255 0.199 20 0 ACADHN CCN(C)C(=O)NC[C@H](C)N(C)C 121971606 409465959 /nfs/dbraw/zinc/46/59/59/409465959.db2.gz ZIRNKMUOBZMZOV-QMMMGPOBSA-N 0 3 187.287 0.598 20 0 ACADHN C[C@H](O)CNCc1cnc2n1CCC2 657283966 409465978 /nfs/dbraw/zinc/46/59/78/409465978.db2.gz JIUMHDBZLJVLJG-QMMMGPOBSA-N 0 3 195.266 0.300 20 0 ACADHN C[C@@H](O)CNCc1cnc2n1CCC2 657283965 409466045 /nfs/dbraw/zinc/46/60/45/409466045.db2.gz JIUMHDBZLJVLJG-MRVPVSSYSA-N 0 3 195.266 0.300 20 0 ACADHN CCNCc1cnc2n1CCC2 657293141 409466944 /nfs/dbraw/zinc/46/69/44/409466944.db2.gz JIMRMRLZLZZRKH-UHFFFAOYSA-N 0 3 165.240 0.939 20 0 ACADHN COCCCNCc1cnc(C)n1C 657286587 409467165 /nfs/dbraw/zinc/46/71/65/409467165.db2.gz PVOCKPNMSNCEHU-UHFFFAOYSA-N 0 3 197.282 0.855 20 0 ACADHN CC[C@@H](CO)NCc1cnc(C)n1C 657287726 409467237 /nfs/dbraw/zinc/46/72/37/409467237.db2.gz UEHQRMSDUNABPU-VIFPVBQESA-N 0 3 197.282 0.589 20 0 ACADHN COCCCNCc1nc(C)c[nH]1 657285823 409467385 /nfs/dbraw/zinc/46/73/85/409467385.db2.gz DIAOKYOFICGYSF-UHFFFAOYSA-N 0 3 183.255 0.844 20 0 ACADHN CC[C@H](CO)NCc1cnc(C)n1C 657287725 409467406 /nfs/dbraw/zinc/46/74/06/409467406.db2.gz UEHQRMSDUNABPU-SECBINFHSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1ncc(CNCCCO)n1C 657286552 409467887 /nfs/dbraw/zinc/46/78/87/409467887.db2.gz PGUSALMAFMLSER-UHFFFAOYSA-N 0 3 183.255 0.201 20 0 ACADHN CC[C@@H](N)C(=O)NC1CC(C)C1 123476325 409468109 /nfs/dbraw/zinc/46/81/09/409468109.db2.gz HHAJZBHOGACMQK-KAVNDROISA-N 0 3 170.256 0.638 20 0 ACADHN COCCNCc1cnc2n1CCC2 657287439 409468289 /nfs/dbraw/zinc/46/82/89/409468289.db2.gz MITZRPXNUJXLDV-UHFFFAOYSA-N 0 3 195.266 0.565 20 0 ACADHN OCCCNCc1cnc2n1CCC2 657287146 409468359 /nfs/dbraw/zinc/46/83/59/409468359.db2.gz YLAMGRDNQLFTIP-UHFFFAOYSA-N 0 3 195.266 0.301 20 0 ACADHN C[C@H](CO)NCc1cnc2n1CCC2 657325057 409469270 /nfs/dbraw/zinc/46/92/70/409469270.db2.gz FVQLBDKEPYKGHD-MRVPVSSYSA-N 0 3 195.266 0.300 20 0 ACADHN Cn1ncc(C2CC2)c1CNCCO 657293955 409469372 /nfs/dbraw/zinc/46/93/72/409469372.db2.gz YLSYOEPYGFSPJT-UHFFFAOYSA-N 0 3 195.266 0.379 20 0 ACADHN Cc1nc(CNC[C@H](C)CO)[nH]c1C 657326006 409469441 /nfs/dbraw/zinc/46/94/41/409469441.db2.gz BINVNCNNUIOARZ-ZETCQYMHSA-N 0 3 197.282 0.745 20 0 ACADHN Cc1ncc(CN[C@H](C)CO)n1C 657324751 409469620 /nfs/dbraw/zinc/46/96/20/409469620.db2.gz CTHGMSJFUMTTSI-SSDOTTSWSA-N 0 3 183.255 0.199 20 0 ACADHN CCOCCNCc1cnc(C)n1C 657312637 409469645 /nfs/dbraw/zinc/46/96/45/409469645.db2.gz BXYXJDPFVIGKCN-UHFFFAOYSA-N 0 3 197.282 0.855 20 0 ACADHN OCCNCc1ccnn1CC1CC1 657293879 409469657 /nfs/dbraw/zinc/46/96/57/409469657.db2.gz VXZLEUREZXWAEB-UHFFFAOYSA-N 0 3 195.266 0.375 20 0 ACADHN Cc1ncc(CNC[C@H](C)CO)n1C 657328020 409469723 /nfs/dbraw/zinc/46/97/23/409469723.db2.gz QLIKZLIMMKZNRC-QMMMGPOBSA-N 0 3 197.282 0.447 20 0 ACADHN Cc1nc(CNC[C@@H](C)CO)[nH]c1C 657326004 409469727 /nfs/dbraw/zinc/46/97/27/409469727.db2.gz BINVNCNNUIOARZ-SSDOTTSWSA-N 0 3 197.282 0.745 20 0 ACADHN Cc1c[nH]c(CNC[C@H]2CCOC2)n1 657310194 409469810 /nfs/dbraw/zinc/46/98/10/409469810.db2.gz WZRZJFTWAUHNPO-SECBINFHSA-N 0 3 195.266 0.844 20 0 ACADHN Cc1ncc(CNC[C@@H](C)CO)n1C 657328019 409470101 /nfs/dbraw/zinc/47/01/01/409470101.db2.gz QLIKZLIMMKZNRC-MRVPVSSYSA-N 0 3 197.282 0.447 20 0 ACADHN COCCN1CCC[C@@H]2COC[C@@H]21 657294833 409470142 /nfs/dbraw/zinc/47/01/42/409470142.db2.gz OTQFNQZAJXYCTR-ZJUUUORDSA-N 0 3 185.267 0.744 20 0 ACADHN Cc1c[nH]c(CNC[C@@H]2CCOC2)n1 657310196 409470247 /nfs/dbraw/zinc/47/02/47/409470247.db2.gz WZRZJFTWAUHNPO-VIFPVBQESA-N 0 3 195.266 0.844 20 0 ACADHN Cc1c[nH]c(CNC2CCOCC2)n1 657316748 409470363 /nfs/dbraw/zinc/47/03/63/409470363.db2.gz SPDXVBPDHFXEAX-UHFFFAOYSA-N 0 3 195.266 0.987 20 0 ACADHN CC(=O)CN1CCCCC[C@H]1CO 124667679 409470658 /nfs/dbraw/zinc/47/06/58/409470658.db2.gz USWIUWNFLDJXKB-JTQLQIEISA-N 0 3 185.267 0.812 20 0 ACADHN Cc1c[nH]c(CNCC2(C)COC2)n1 657357959 409471414 /nfs/dbraw/zinc/47/14/14/409471414.db2.gz GUGHFTKYWNWXBR-UHFFFAOYSA-N 0 3 195.266 0.844 20 0 ACADHN CC(=O)CN1CCCCC[C@@H]1CO 124667438 409471466 /nfs/dbraw/zinc/47/14/66/409471466.db2.gz USWIUWNFLDJXKB-SNVBAGLBSA-N 0 3 185.267 0.812 20 0 ACADHN Cc1ncc(CNC(C)(C)CO)n1C 657355854 409471733 /nfs/dbraw/zinc/47/17/33/409471733.db2.gz BNPQVZVRLTXFJE-UHFFFAOYSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1c[nH]c(CNC[C@H](C)N(C)C)n1 657347651 409472063 /nfs/dbraw/zinc/47/20/63/409472063.db2.gz DSGLHPALVGSKQY-VIFPVBQESA-N 0 3 196.298 0.758 20 0 ACADHN Cc1c[nH]c(CNC[C@@H](C)N(C)C)n1 657347650 409472376 /nfs/dbraw/zinc/47/23/76/409472376.db2.gz DSGLHPALVGSKQY-SECBINFHSA-N 0 3 196.298 0.758 20 0 ACADHN Cc1ncc(CNCC(C)(C)O)n1C 657356048 409472536 /nfs/dbraw/zinc/47/25/36/409472536.db2.gz GFGZNZSBPWWDOQ-UHFFFAOYSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1ncc(CNCC[C@H](C)O)n1C 657361979 409472520 /nfs/dbraw/zinc/47/25/20/409472520.db2.gz NCLAAJWZXFFLDB-QMMMGPOBSA-N 0 3 197.282 0.589 20 0 ACADHN CC(C)(CCO)NCc1cnccn1 125625154 409473446 /nfs/dbraw/zinc/47/34/46/409473446.db2.gz RCRBDDMSQLCBAM-UHFFFAOYSA-N 0 3 195.266 0.727 20 0 ACADHN CC[C@@H](CCO)NCc1nc(C)c[nH]1 657372554 409473484 /nfs/dbraw/zinc/47/34/84/409473484.db2.gz HRWURGFFWPDGPS-VIFPVBQESA-N 0 3 197.282 0.969 20 0 ACADHN CC[C@@H](N)C(=O)NC(C)(C)COC 125433262 409473510 /nfs/dbraw/zinc/47/35/10/409473510.db2.gz AMFHAUKSKCUABF-SSDOTTSWSA-N 0 3 188.271 0.265 20 0 ACADHN Cc1ncc(CN[C@H](C)CCO)n1C 657368351 409473642 /nfs/dbraw/zinc/47/36/42/409473642.db2.gz PCKLHXJEKPTVDC-MRVPVSSYSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1ncc(CN[C@@H](C)CCO)n1C 657368352 409473681 /nfs/dbraw/zinc/47/36/81/409473681.db2.gz PCKLHXJEKPTVDC-QMMMGPOBSA-N 0 3 197.282 0.589 20 0 ACADHN Cc1c[nH]c(CNC[C@@H](C)CCO)n1 657385286 409474002 /nfs/dbraw/zinc/47/40/02/409474002.db2.gz SXMBGMVTRJUIKK-QMMMGPOBSA-N 0 3 197.282 0.826 20 0 ACADHN Cc1c[nH]c(CN[C@@H](C)CCCO)n1 657391633 409474286 /nfs/dbraw/zinc/47/42/86/409474286.db2.gz GKOVFHJLPWNZMG-QMMMGPOBSA-N 0 3 197.282 0.969 20 0 ACADHN Cc1ncc(CN[C@@H](C)CO)n1C 657377388 409474293 /nfs/dbraw/zinc/47/42/93/409474293.db2.gz CTHGMSJFUMTTSI-ZETCQYMHSA-N 0 3 183.255 0.199 20 0 ACADHN Cc1c[nH]c(CN[C@H](C)CCCO)n1 657391632 409474401 /nfs/dbraw/zinc/47/44/01/409474401.db2.gz GKOVFHJLPWNZMG-MRVPVSSYSA-N 0 3 197.282 0.969 20 0 ACADHN CC[C@H](CCO)NCc1nc(C)c[nH]1 657372553 409474407 /nfs/dbraw/zinc/47/44/07/409474407.db2.gz HRWURGFFWPDGPS-SECBINFHSA-N 0 3 197.282 0.969 20 0 ACADHN C[C@@H](CO)NCc1cnc2n1CCC2 657377736 409474550 /nfs/dbraw/zinc/47/45/50/409474550.db2.gz FVQLBDKEPYKGHD-QMMMGPOBSA-N 0 3 195.266 0.300 20 0 ACADHN Cc1c[nH]c(CNC[C@H](C)CCO)n1 657385285 409474655 /nfs/dbraw/zinc/47/46/55/409474655.db2.gz SXMBGMVTRJUIKK-MRVPVSSYSA-N 0 3 197.282 0.826 20 0 ACADHN CO[C@H](C)CN[C@@H]1COC[C@@H]1OC 657410568 409475609 /nfs/dbraw/zinc/47/56/09/409475609.db2.gz ZGWYCVNNZGFBIP-HLTSFMKQSA-N 0 3 189.255 0.025 20 0 ACADHN CO[C@@H](C)CN[C@@H]1COC[C@@H]1OC 657410569 409475637 /nfs/dbraw/zinc/47/56/37/409475637.db2.gz ZGWYCVNNZGFBIP-YIZRAAEISA-N 0 3 189.255 0.025 20 0 ACADHN Cc1c[nH]c(CNCCCCCO)n1 657453752 409475823 /nfs/dbraw/zinc/47/58/23/409475823.db2.gz CLVHGVKLQMHHOF-UHFFFAOYSA-N 0 3 197.282 0.970 20 0 ACADHN Cc1ncc(CN[C@H]2CCOC2)n1C 657415669 409475876 /nfs/dbraw/zinc/47/58/76/409475876.db2.gz LMMJJTAFKYBXOS-VIFPVBQESA-N 0 3 195.266 0.607 20 0 ACADHN CO[C@H](C)CNCc1cnc(C)n1C 657445235 409475964 /nfs/dbraw/zinc/47/59/64/409475964.db2.gz CNNZITDSNROCIK-MRVPVSSYSA-N 0 3 197.282 0.853 20 0 ACADHN CO[C@@H](C)CNCc1cnc(C)n1C 657445236 409476107 /nfs/dbraw/zinc/47/61/07/409476107.db2.gz CNNZITDSNROCIK-QMMMGPOBSA-N 0 3 197.282 0.853 20 0 ACADHN Cc1nc(CNCCCCO)[nH]c1C 657451141 409476125 /nfs/dbraw/zinc/47/61/25/409476125.db2.gz HWLBTPRYMNLTTL-UHFFFAOYSA-N 0 3 197.282 0.889 20 0 ACADHN CO[C@@H]1COC[C@@H]1NCCCF 657407853 409476386 /nfs/dbraw/zinc/47/63/86/409476386.db2.gz UKESAUQPOAYPDR-JGVFFNPUSA-N 0 3 177.219 0.349 20 0 ACADHN Cc1ncc(CNCCCCO)n1C 657451426 409476417 /nfs/dbraw/zinc/47/64/17/409476417.db2.gz SZQARLOINVSMIJ-UHFFFAOYSA-N 0 3 197.282 0.591 20 0 ACADHN Cc1ncc(CN[C@@H]2CCOC2)n1C 657415667 409476488 /nfs/dbraw/zinc/47/64/88/409476488.db2.gz LMMJJTAFKYBXOS-SECBINFHSA-N 0 3 195.266 0.607 20 0 ACADHN CC[C@@H](N)C(=O)N(C)C1CCC1 127402694 409476824 /nfs/dbraw/zinc/47/68/24/409476824.db2.gz DSKWKHNGCYXAGZ-MRVPVSSYSA-N 0 3 170.256 0.735 20 0 ACADHN CNC(=O)N1CCC[C@@H]1CN(C)C 127321804 409476928 /nfs/dbraw/zinc/47/69/28/409476928.db2.gz OIVFYDPRWNOKQE-MRVPVSSYSA-N 0 3 185.271 0.352 20 0 ACADHN CC[C@H](O)CNCc1cnc(C)n1C 657472387 409477087 /nfs/dbraw/zinc/47/70/87/409477087.db2.gz RUTUBNMAIBZCMP-JTQLQIEISA-N 0 3 197.282 0.589 20 0 ACADHN C[C@H](O)CN1C[C@H](C)N(C)[C@H](C)C1 127830759 409477137 /nfs/dbraw/zinc/47/71/37/409477137.db2.gz UPWRJAWZNNGJFA-AEJSXWLSSA-N 0 3 186.299 0.392 20 0 ACADHN Cc1c[nH]c(CN[C@@H](C)CN(C)C)n1 657465317 409477274 /nfs/dbraw/zinc/47/72/74/409477274.db2.gz NBDNIEUBGUWDBB-VIFPVBQESA-N 0 3 196.298 0.758 20 0 ACADHN C[C@H]1CN(C[C@@H](C)O)C[C@@H](C)N1C 127798930 409477461 /nfs/dbraw/zinc/47/74/61/409477461.db2.gz UPWRJAWZNNGJFA-KXUCPTDWSA-N 0 3 186.299 0.392 20 0 ACADHN Cc1ncc(CN[C@H]2C[C@@H](O)C2)n1C 657484549 409477775 /nfs/dbraw/zinc/47/77/75/409477775.db2.gz NJKULFNHBASXRF-WAAGHKOSSA-N 0 3 195.266 0.341 20 0 ACADHN CNC(=O)N1CCC[C@H]1CN(C)C 127322062 409478877 /nfs/dbraw/zinc/47/88/77/409478877.db2.gz OIVFYDPRWNOKQE-QMMMGPOBSA-N 0 3 185.271 0.352 20 0 ACADHN CC[C@@H](O)CNCc1cnc(C)n1C 657494741 409479930 /nfs/dbraw/zinc/47/99/30/409479930.db2.gz RUTUBNMAIBZCMP-SNVBAGLBSA-N 0 3 197.282 0.589 20 0 ACADHN Cn1nncc1CN[C@]12CCC[C@H]1C2 657551460 409481264 /nfs/dbraw/zinc/48/12/64/409481264.db2.gz NSASQXPZJHTTJJ-WPRPVWTQSA-N 0 3 192.266 0.847 20 0 ACADHN Cn1nncc1CN[C@@]12CCC[C@@H]1C2 657551457 409481329 /nfs/dbraw/zinc/48/13/29/409481329.db2.gz NSASQXPZJHTTJJ-PSASIEDQSA-N 0 3 192.266 0.847 20 0 ACADHN CC[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]2C1 130733605 409482260 /nfs/dbraw/zinc/48/22/60/409482260.db2.gz VVZVZNUKPNTOPM-GUBZILKMSA-N 0 3 196.294 0.982 20 0 ACADHN CC(C)(C)[C@H](N)C(=O)NCC(F)F 130747683 409482446 /nfs/dbraw/zinc/48/24/46/409482446.db2.gz MMGVYFGFAIFCEQ-ZCFIWIBFSA-N 0 3 194.225 0.741 20 0 ACADHN OC/C=C\CNCc1cc[nH]c1 657591865 409482611 /nfs/dbraw/zinc/48/26/11/409482611.db2.gz BURKNGPJEWIXIX-UPHRSURJSA-N 0 3 166.224 0.653 20 0 ACADHN CC[C@H](N)C(=O)N1C[C@H]2CCC[C@@H]2C1 130733424 409482645 /nfs/dbraw/zinc/48/26/45/409482645.db2.gz VVZVZNUKPNTOPM-BBBLOLIVSA-N 0 3 196.294 0.982 20 0 ACADHN Cc1n[nH]c(C)c1CNC/C=C\CO 657593268 409482880 /nfs/dbraw/zinc/48/28/80/409482880.db2.gz RNAWSXVJFGGPPA-ARJAWSKDSA-N 0 3 195.266 0.665 20 0 ACADHN Cc1n[nH]c(C)c1CNC/C=C/CO 657593269 409482771 /nfs/dbraw/zinc/48/27/71/409482771.db2.gz RNAWSXVJFGGPPA-ONEGZZNKSA-N 0 3 195.266 0.665 20 0 ACADHN OC/C=C\CNCc1ccncc1 657591261 409482907 /nfs/dbraw/zinc/48/29/07/409482907.db2.gz GFTKTUNZWWRTMS-UPHRSURJSA-N 0 3 178.235 0.720 20 0 ACADHN OC/C=C/CNCc1cc[nH]c1 657591864 409482936 /nfs/dbraw/zinc/48/29/36/409482936.db2.gz BURKNGPJEWIXIX-OWOJBTEDSA-N 0 3 166.224 0.653 20 0 ACADHN C[C@@H]1OCC[C@@H]1NC/C=C/CO 657593365 409482974 /nfs/dbraw/zinc/48/29/74/409482974.db2.gz GMBWJLOKFWWYEH-JKRGSOBMSA-N 0 3 171.240 0.302 20 0 ACADHN Cn1cccc1CNC/C=C\CO 657592460 409482995 /nfs/dbraw/zinc/48/29/95/409482995.db2.gz JZUIQJMBRSLYRY-IHWYPQMZSA-N 0 3 180.251 0.663 20 0 ACADHN OC/C=C\CNCc1cccnc1 657593187 409483006 /nfs/dbraw/zinc/48/30/06/409483006.db2.gz ZEESLSUBVYAYRG-UPHRSURJSA-N 0 3 178.235 0.720 20 0 ACADHN Cn1cccc1CNC/C=C/CO 657592461 409483068 /nfs/dbraw/zinc/48/30/68/409483068.db2.gz JZUIQJMBRSLYRY-NSCUHMNNSA-N 0 3 180.251 0.663 20 0 ACADHN OC/C=C/CNCc1ccncc1 657591260 409483108 /nfs/dbraw/zinc/48/31/08/409483108.db2.gz GFTKTUNZWWRTMS-OWOJBTEDSA-N 0 3 178.235 0.720 20 0 ACADHN CC[C@@H](N)C(=O)N1C[C@H]2CCC[C@H]2C1 131101619 409483221 /nfs/dbraw/zinc/48/32/21/409483221.db2.gz VVZVZNUKPNTOPM-KXUCPTDWSA-N 0 3 196.294 0.982 20 0 ACADHN OC/C=C/CNCc1cccnc1 657593186 409483254 /nfs/dbraw/zinc/48/32/54/409483254.db2.gz ZEESLSUBVYAYRG-OWOJBTEDSA-N 0 3 178.235 0.720 20 0 ACADHN C[C@@H]1OCC[C@H]1NC/C=C/CO 657593364 409483325 /nfs/dbraw/zinc/48/33/25/409483325.db2.gz GMBWJLOKFWWYEH-AHQHDXANSA-N 0 3 171.240 0.302 20 0 ACADHN CC(C)C[C@H](N)C(=O)NCC(F)F 130747921 409483591 /nfs/dbraw/zinc/48/35/91/409483591.db2.gz NVFWHSVQRNYZET-LURJTMIESA-N 0 3 194.225 0.741 20 0 ACADHN CC[C@H](N)C(=O)N1C[C@H]2CCC[C@H]2C1 130733202 409483681 /nfs/dbraw/zinc/48/36/81/409483681.db2.gz VVZVZNUKPNTOPM-AEJSXWLSSA-N 0 3 196.294 0.982 20 0 ACADHN CC[C@H](N)C(=O)NCC(F)F 130726535 409483823 /nfs/dbraw/zinc/48/38/23/409483823.db2.gz PAKYXMJXWQEJRU-BYPYZUCNSA-N 0 3 166.171 0.105 20 0 ACADHN C[C@H](N)C(=O)NCCCC(F)(F)F 130727005 409483846 /nfs/dbraw/zinc/48/38/46/409483846.db2.gz LLAKDQZASQZMOI-YFKPBYRVSA-N 0 3 198.188 0.792 20 0 ACADHN OC1(CNCc2ccncn2)CCC1 131118299 409483887 /nfs/dbraw/zinc/48/38/87/409483887.db2.gz FOPQYSWRZYTOIL-UHFFFAOYSA-N 0 3 193.250 0.481 20 0 ACADHN CC[C@@H](N)C(=O)N1C[C@H]2CCC[C@@H]2C1 131101808 409484061 /nfs/dbraw/zinc/48/40/61/409484061.db2.gz VVZVZNUKPNTOPM-OPRDCNLKSA-N 0 3 196.294 0.982 20 0 ACADHN CC[C@@H](N)C(=O)NCC(F)F 130947319 409484238 /nfs/dbraw/zinc/48/42/38/409484238.db2.gz PAKYXMJXWQEJRU-SCSAIBSYSA-N 0 3 166.171 0.105 20 0 ACADHN Cc1cn[nH]c1CNCC=CCO 657594710 409484335 /nfs/dbraw/zinc/48/43/35/409484335.db2.gz SJPGHQXTZKJMLR-IHWYPQMZSA-N 0 3 181.239 0.356 20 0 ACADHN CC[C@@H](N)C(=O)N1C[C@@H]2CCC[C@H]2C1 131102015 409484336 /nfs/dbraw/zinc/48/43/36/409484336.db2.gz VVZVZNUKPNTOPM-LPEHRKFASA-N 0 3 196.294 0.982 20 0 ACADHN CC[C@@H](C)[C@H](N)C(=O)NCC(F)F 130947756 409484348 /nfs/dbraw/zinc/48/43/48/409484348.db2.gz MJVHPZJKCDUOJX-VDTYLAMSSA-N 0 3 194.225 0.741 20 0 ACADHN CC(C)OC[C@@H](C)NC/C=C\CO 657594012 409484463 /nfs/dbraw/zinc/48/44/63/409484463.db2.gz LXOVEUPLEGEVFN-UMCURTJPSA-N 0 3 187.283 0.938 20 0 ACADHN Cn1ccc(CNC/C=C\CO)c1 657594731 409484483 /nfs/dbraw/zinc/48/44/83/409484483.db2.gz SWDGPNPZMMLIII-IHWYPQMZSA-N 0 3 180.251 0.663 20 0 ACADHN CC(C)[C@H](N)C(=O)NCC(F)F 130726764 409484490 /nfs/dbraw/zinc/48/44/90/409484490.db2.gz ZLVIUWBPBSBUDG-LURJTMIESA-N 0 3 180.198 0.351 20 0 ACADHN C[C@@H]1O[C@H](C)C[C@@H]1NC/C=C/CO 657593470 409484500 /nfs/dbraw/zinc/48/45/00/409484500.db2.gz HJTMLABWDISKRO-GVQKYEPPSA-N 0 3 185.267 0.690 20 0 ACADHN CC(C)[C@H](N)C(=O)NCc1ccoc1 130713716 409484537 /nfs/dbraw/zinc/48/45/37/409484537.db2.gz YABLEOCBZZAGFV-VIFPVBQESA-N 0 3 196.250 0.879 20 0 ACADHN CC(C)OC[C@H](C)NC/C=C/CO 657594013 409484585 /nfs/dbraw/zinc/48/45/85/409484585.db2.gz LXOVEUPLEGEVFN-YEZKRMTDSA-N 0 3 187.283 0.938 20 0 ACADHN Cc1ncc(CNC/C=C\CO)n1C 657595032 409484617 /nfs/dbraw/zinc/48/46/17/409484617.db2.gz WFYLWNFLSCNLLI-ARJAWSKDSA-N 0 3 195.266 0.367 20 0 ACADHN Cc1ncc(CNC/C=C/CO)n1C 657595033 409484677 /nfs/dbraw/zinc/48/46/77/409484677.db2.gz WFYLWNFLSCNLLI-ONEGZZNKSA-N 0 3 195.266 0.367 20 0 ACADHN CC(C)[C@@H](N)C(=O)NCC(F)F 130946901 409484725 /nfs/dbraw/zinc/48/47/25/409484725.db2.gz ZLVIUWBPBSBUDG-ZCFIWIBFSA-N 0 3 180.198 0.351 20 0 ACADHN CCn1cc(CNCC2CC2)nn1 130780608 409484754 /nfs/dbraw/zinc/48/47/54/409484754.db2.gz HCVVBEJJMWREAI-UHFFFAOYSA-N 0 3 180.255 0.798 20 0 ACADHN C[C@@H](N)C(=O)NCCCC(F)(F)F 130727442 409484769 /nfs/dbraw/zinc/48/47/69/409484769.db2.gz LLAKDQZASQZMOI-RXMQYKEDSA-N 0 3 198.188 0.792 20 0 ACADHN CC[C@H](C)[C@H](N)C(=O)NCC(F)F 130947984 409484802 /nfs/dbraw/zinc/48/48/02/409484802.db2.gz MJVHPZJKCDUOJX-FSPLSTOPSA-N 0 3 194.225 0.741 20 0 ACADHN Cn1ccc(CNC/C=C/CO)c1 657594732 409484828 /nfs/dbraw/zinc/48/48/28/409484828.db2.gz SWDGPNPZMMLIII-NSCUHMNNSA-N 0 3 180.251 0.663 20 0 ACADHN C[C@@H]1C[C@@H](NC/C=C/CO)CO1 657594485 409484836 /nfs/dbraw/zinc/48/48/36/409484836.db2.gz RDASTSUQIFFHSU-KHVQUVQLSA-N 0 3 171.240 0.302 20 0 ACADHN C[C@@H]1C[C@H](NC/C=C\CO)[C@@H](C)O1 657593471 409484854 /nfs/dbraw/zinc/48/48/54/409484854.db2.gz HJTMLABWDISKRO-MPKXJLSVSA-N 0 3 185.267 0.690 20 0 ACADHN Cc1cn[nH]c1CNCC=CCO 657594711 409484899 /nfs/dbraw/zinc/48/48/99/409484899.db2.gz SJPGHQXTZKJMLR-NSCUHMNNSA-N 0 3 181.239 0.356 20 0 ACADHN CC(C)OC[C@H](C)NC/C=C\CO 657593899 409484926 /nfs/dbraw/zinc/48/49/26/409484926.db2.gz LXOVEUPLEGEVFN-LWTINBJPSA-N 0 3 187.283 0.938 20 0 ACADHN C[C@@H]1C[C@H](NC/C=C\CO)CO1 657594484 409485295 /nfs/dbraw/zinc/48/52/95/409485295.db2.gz RDASTSUQIFFHSU-HVSMVGKISA-N 0 3 171.240 0.302 20 0 ACADHN C[C@@H]1C[C@H](NC/C=C/CO)CO1 657594482 409485082 /nfs/dbraw/zinc/48/50/82/409485082.db2.gz RDASTSUQIFFHSU-ALCGYSGWSA-N 0 3 171.240 0.302 20 0 ACADHN CC(C)OC[C@@H](C)NC/C=C/CO 657593900 409485126 /nfs/dbraw/zinc/48/51/26/409485126.db2.gz LXOVEUPLEGEVFN-ORAHPGNNSA-N 0 3 187.283 0.938 20 0 ACADHN C[C@@H]1O[C@H](C)C[C@@H]1NC/C=C\CO 657593472 409485131 /nfs/dbraw/zinc/48/51/31/409485131.db2.gz HJTMLABWDISKRO-NUSPACTDSA-N 0 3 185.267 0.690 20 0 ACADHN C[C@@H]1C[C@H](NC/C=C/CO)[C@@H](C)O1 657593473 409485253 /nfs/dbraw/zinc/48/52/53/409485253.db2.gz HJTMLABWDISKRO-XWUSIBNTSA-N 0 3 185.267 0.690 20 0 ACADHN C[C@@H]1OCC[C@H]1NC/C=C\CO 657593367 409485314 /nfs/dbraw/zinc/48/53/14/409485314.db2.gz GMBWJLOKFWWYEH-NFLJOPSSSA-N 0 3 171.240 0.302 20 0 ACADHN C[C@@H]1C[C@@H](NC/C=C\CO)CO1 657594483 409485319 /nfs/dbraw/zinc/48/53/19/409485319.db2.gz RDASTSUQIFFHSU-BNEREYBLSA-N 0 3 171.240 0.302 20 0 ACADHN C[C@@H]1OCC[C@@H]1NC/C=C\CO 657593366 409485326 /nfs/dbraw/zinc/48/53/26/409485326.db2.gz GMBWJLOKFWWYEH-KAAOYLEMSA-N 0 3 171.240 0.302 20 0 ACADHN CCn1nncc1CNC[C@H](C)OC 657620466 409486206 /nfs/dbraw/zinc/48/62/06/409486206.db2.gz AWDPEWGYTNTMKT-QMMMGPOBSA-N 0 3 198.270 0.423 20 0 ACADHN CCn1nncc1CNC[C@@H](C)OC 657623412 409487040 /nfs/dbraw/zinc/48/70/40/409487040.db2.gz AWDPEWGYTNTMKT-MRVPVSSYSA-N 0 3 198.270 0.423 20 0 ACADHN NCC(=O)NCCCC(F)(F)F 132490360 409489500 /nfs/dbraw/zinc/48/95/00/409489500.db2.gz GRQHRTWBQRYNEY-UHFFFAOYSA-N 0 3 184.161 0.404 20 0 ACADHN CN[C@@H](C)C(=O)NC[C@@H](C)C1CC1 132970501 409490759 /nfs/dbraw/zinc/49/07/59/409490759.db2.gz FUWPULVAGQOYAN-SFYZADRCSA-N 0 3 184.283 0.757 20 0 ACADHN C[C@@H](CNCc1ncnn1C)C1CC1 132801535 409491164 /nfs/dbraw/zinc/49/11/64/409491164.db2.gz DQXAPZIAPCEJFG-QMMMGPOBSA-N 0 3 194.282 0.951 20 0 ACADHN C[C@H](CNCc1ncnn1C)C1CC1 132801745 409491223 /nfs/dbraw/zinc/49/12/23/409491223.db2.gz DQXAPZIAPCEJFG-MRVPVSSYSA-N 0 3 194.282 0.951 20 0 ACADHN CC(C)C[C@@H](N)C(=O)NCC(F)F 133072725 409491288 /nfs/dbraw/zinc/49/12/88/409491288.db2.gz NVFWHSVQRNYZET-ZCFIWIBFSA-N 0 3 194.225 0.741 20 0 ACADHN CC[C@@H](N)C(=O)NC[C@H](C)C1CC1 132995258 409491328 /nfs/dbraw/zinc/49/13/28/409491328.db2.gz VPHUMAWXNNUHQI-IONNQARKSA-N 0 3 184.283 0.886 20 0 ACADHN C[C@@H](CO)NCc1ccc(CO)cc1 133028823 409491591 /nfs/dbraw/zinc/49/15/91/409491591.db2.gz HNBKAASKUZIYQU-VIFPVBQESA-N 0 3 195.262 0.649 20 0 ACADHN CC[C@@H](N)C(=O)NC[C@@H](C)C1CC1 132995036 409491997 /nfs/dbraw/zinc/49/19/97/409491997.db2.gz VPHUMAWXNNUHQI-VXNVDRBHSA-N 0 3 184.283 0.886 20 0 ACADHN CN[C@@H](C)C(=O)NC[C@H](C)C1CC1 132970249 409492009 /nfs/dbraw/zinc/49/20/09/409492009.db2.gz FUWPULVAGQOYAN-YUMQZZPRSA-N 0 3 184.283 0.757 20 0 ACADHN C[C@H](CO)NCc1ccc(CO)cc1 133029035 409492087 /nfs/dbraw/zinc/49/20/87/409492087.db2.gz HNBKAASKUZIYQU-SECBINFHSA-N 0 3 195.262 0.649 20 0 ACADHN CC1(C)CN(c2cnccn2)CCN1 133197888 409493367 /nfs/dbraw/zinc/49/33/67/409493367.db2.gz HNYOXVSNZJOXLI-UHFFFAOYSA-N 0 3 192.266 0.665 20 0 ACADHN COC(C)(C)CNC(=O)C(C)(C)N 133416017 409493389 /nfs/dbraw/zinc/49/33/89/409493389.db2.gz YDSMTHZRZMBYGS-UHFFFAOYSA-N 0 3 188.271 0.265 20 0 ACADHN CO[C@@]1(C)C[C@H]1NCc1c[nH]nc1C 657788394 409493497 /nfs/dbraw/zinc/49/34/97/409493497.db2.gz OUTHWQBYILGVKF-ZJUUUORDSA-N 0 3 195.266 0.985 20 0 ACADHN CO[C@@]1(C)C[C@H]1N[C@H]1CCOC1 657788437 409493894 /nfs/dbraw/zinc/49/38/94/409493894.db2.gz QCDAHUJTLQPWQK-YIZRAAEISA-N 0 3 171.240 0.542 20 0 ACADHN CC[C@H](N)C(=O)NCC(C)(C)OC 133417970 409494041 /nfs/dbraw/zinc/49/40/41/409494041.db2.gz JPJWPHQWMNCMPU-ZETCQYMHSA-N 0 3 188.271 0.265 20 0 ACADHN CO[C@@]1(C)C[C@H]1N[C@@H]1CCOC1 657788435 409494304 /nfs/dbraw/zinc/49/43/04/409494304.db2.gz QCDAHUJTLQPWQK-HLTSFMKQSA-N 0 3 171.240 0.542 20 0 ACADHN CCC[C@@](C)(N)C(=O)NCC(F)F 133089459 409494310 /nfs/dbraw/zinc/49/43/10/409494310.db2.gz UAFMTYWKWAPLOS-MRVPVSSYSA-N 0 3 194.225 0.885 20 0 ACADHN CCC[C@](C)(N)C(=O)NCC(F)F 133089239 409494955 /nfs/dbraw/zinc/49/49/55/409494955.db2.gz UAFMTYWKWAPLOS-QMMMGPOBSA-N 0 3 194.225 0.885 20 0 ACADHN CNCC(=O)NCCCC(F)(F)F 133094699 409495318 /nfs/dbraw/zinc/49/53/18/409495318.db2.gz NIWVVOLKHJFDEK-UHFFFAOYSA-N 0 3 198.188 0.665 20 0 ACADHN CCn1nncc1CNCC[C@H](C)O 657805227 409495331 /nfs/dbraw/zinc/49/53/31/409495331.db2.gz BSNOGCJTPMEULG-QMMMGPOBSA-N 0 3 198.270 0.159 20 0 ACADHN CO[C@@]1(C)C[C@H]1N[C@H]1CCO[C@H]1C 657790073 409495371 /nfs/dbraw/zinc/49/53/71/409495371.db2.gz MNYNZSLUPAAANX-QEYWKRMJSA-N 0 3 185.267 0.931 20 0 ACADHN CO[C@@]1(C)C[C@H]1N[C@@H]1CCO[C@@H]1C 657790072 409495435 /nfs/dbraw/zinc/49/54/35/409495435.db2.gz MNYNZSLUPAAANX-KYXWUPHJSA-N 0 3 185.267 0.931 20 0 ACADHN CO[C@@]1(C)C[C@H]1N[C@H]1CO[C@@H](C)C1 657790445 409495517 /nfs/dbraw/zinc/49/55/17/409495517.db2.gz QSRJPNCLUWTLFM-JLIMGVALSA-N 0 3 185.267 0.931 20 0 ACADHN CO[C@@]1(C)C[C@H]1NCc1[nH]ncc1C 657790134 409495624 /nfs/dbraw/zinc/49/56/24/409495624.db2.gz OBCMKWKUIICVQM-ZJUUUORDSA-N 0 3 195.266 0.985 20 0 ACADHN Cc1n[nH]c(C)c1CN[C@H]1C[C@H](O)C1 657808683 409495824 /nfs/dbraw/zinc/49/58/24/409495824.db2.gz AALXMAPOBPDARJ-KYZUINATSA-N 0 3 195.266 0.639 20 0 ACADHN CO[C@@]1(C)C[C@H]1N[C@@H]1CO[C@@H](C)C1 657790448 409495916 /nfs/dbraw/zinc/49/59/16/409495916.db2.gz QSRJPNCLUWTLFM-QEYWKRMJSA-N 0 3 185.267 0.931 20 0 ACADHN Cc1ncc(CN[C@H]2C[C@H](O)C2)n1C 657808723 409495931 /nfs/dbraw/zinc/49/59/31/409495931.db2.gz NJKULFNHBASXRF-CZMCAQCFSA-N 0 3 195.266 0.341 20 0 ACADHN CO[C@@]1(C)C[C@H]1N[C@H]1CCO[C@@H]1C 657790074 409496248 /nfs/dbraw/zinc/49/62/48/409496248.db2.gz MNYNZSLUPAAANX-RGOKHQFPSA-N 0 3 185.267 0.931 20 0 ACADHN CC[C@@H](N)C(=O)NCC(C)(C)OC 133418198 409496136 /nfs/dbraw/zinc/49/61/36/409496136.db2.gz JPJWPHQWMNCMPU-SSDOTTSWSA-N 0 3 188.271 0.265 20 0 ACADHN CO[C@@]1(C)C[C@H]1N[C@H]1CO[C@H](C)C1 657790447 409496158 /nfs/dbraw/zinc/49/61/58/409496158.db2.gz QSRJPNCLUWTLFM-KYXWUPHJSA-N 0 3 185.267 0.931 20 0 ACADHN CO[C@@]1(C)C[C@H]1N[C@@H]1CCO[C@H]1C 657790071 409496189 /nfs/dbraw/zinc/49/61/89/409496189.db2.gz MNYNZSLUPAAANX-JLIMGVALSA-N 0 3 185.267 0.931 20 0 ACADHN CO[C@@]1(C)C[C@H]1N[C@@H]1CO[C@H](C)C1 657790450 409496198 /nfs/dbraw/zinc/49/61/98/409496198.db2.gz QSRJPNCLUWTLFM-RGOKHQFPSA-N 0 3 185.267 0.931 20 0 ACADHN COC[C@H](C)N[C@@H]1C[C@]1(C)OC 657790466 409496276 /nfs/dbraw/zinc/49/62/76/409496276.db2.gz RBGIXIVJMYQTPJ-YIZRAAEISA-N 0 3 173.256 0.788 20 0 ACADHN CC(C)[C@H](O)CN(C)[C@@H]1CCOC1 133826002 409496928 /nfs/dbraw/zinc/49/69/28/409496928.db2.gz KZMKIRHABDSJMW-NXEZZACHSA-N 0 3 187.283 0.724 20 0 ACADHN Cn1ccc(CN[C@H]2C[C@H](O)C2)c1 657810135 409496986 /nfs/dbraw/zinc/49/69/86/409496986.db2.gz YQOHKAWPHOMEPH-MGCOHNPYSA-N 0 3 180.251 0.638 20 0 ACADHN Cn1cncc1CN[C@H]1C[C@H](O)C1 657810234 409497009 /nfs/dbraw/zinc/49/70/09/409497009.db2.gz WUZUOPIFFJEYLU-XWEPSHTISA-N 0 3 181.239 0.033 20 0 ACADHN O[C@H]1C[C@H](NCc2cncs2)C1 657809904 409497070 /nfs/dbraw/zinc/49/70/70/409497070.db2.gz UAZWVGPUQWWEIU-LJGSYFOKSA-N 0 3 184.264 0.756 20 0 ACADHN CCn1nccc1CN[C@H]1C[C@H](O)C1 657809871 409497096 /nfs/dbraw/zinc/49/70/96/409497096.db2.gz RYQGNHCUPRDJTM-CZMCAQCFSA-N 0 3 195.266 0.516 20 0 ACADHN Cn1cccc1CN[C@H]1C[C@H](O)C1 657810017 409497138 /nfs/dbraw/zinc/49/71/38/409497138.db2.gz RFQWDMRTROUSAH-CZMCAQCFSA-N 0 3 180.251 0.638 20 0 ACADHN O[C@H]1C[C@H](NCc2cccnc2)C1 657809732 409497230 /nfs/dbraw/zinc/49/72/30/409497230.db2.gz NEUPWROQOAHYEN-MGCOHNPYSA-N 0 3 178.235 0.695 20 0 ACADHN CCn1cc(CN[C@H]2C[C@H](O)C2)cn1 657810180 409497243 /nfs/dbraw/zinc/49/72/43/409497243.db2.gz VDQCCBMBONIJMF-MGCOHNPYSA-N 0 3 195.266 0.516 20 0 ACADHN COC(C)(C)CNC(=O)C1(N)CC1 133462014 409497328 /nfs/dbraw/zinc/49/73/28/409497328.db2.gz POXRICAIRUJDLC-UHFFFAOYSA-N 0 3 186.255 0.019 20 0 ACADHN Cn1cc(CN[C@H]2C[C@H](O)C2)cn1 657809993 409497334 /nfs/dbraw/zinc/49/73/34/409497334.db2.gz QIHFTPXUIZYBHL-KYZUINATSA-N 0 3 181.239 0.033 20 0 ACADHN Cn1nccc1CN[C@H]1C[C@H](O)C1 657809232 409497438 /nfs/dbraw/zinc/49/74/38/409497438.db2.gz GFFUGHCIYGBPBT-XWEPSHTISA-N 0 3 181.239 0.033 20 0 ACADHN Cc1cnn(C)c1CN[C@H]1C[C@H](O)C1 657809903 409497575 /nfs/dbraw/zinc/49/75/75/409497575.db2.gz TZTHRKOBODULIG-KYZUINATSA-N 0 3 195.266 0.341 20 0 ACADHN CC(C)[C@@H](O)CN(C)[C@@H]1CCOC1 133826193 409497587 /nfs/dbraw/zinc/49/75/87/409497587.db2.gz KZMKIRHABDSJMW-ZJUUUORDSA-N 0 3 187.283 0.724 20 0 ACADHN C=Cn1cc(CN[C@H]2C[C@H](O)C2)cn1 657809946 409497659 /nfs/dbraw/zinc/49/76/59/409497659.db2.gz VNFLXXQFJVFZPY-MGCOHNPYSA-N 0 3 193.250 0.597 20 0 ACADHN O[C@H]1C[C@H](NCc2ccccn2)C1 657809822 409497678 /nfs/dbraw/zinc/49/76/78/409497678.db2.gz OWOTYIVZUGHVEB-MGCOHNPYSA-N 0 3 178.235 0.695 20 0 ACADHN Cc1n[nH]cc1CN[C@H]1C[C@H](O)C1 657809258 409497714 /nfs/dbraw/zinc/49/77/14/409497714.db2.gz HMJSYFFGTMETKT-KYZUINATSA-N 0 3 181.239 0.331 20 0 ACADHN Cc1nn(C)cc1CN[C@H]1C[C@H](O)C1 657809881 409497822 /nfs/dbraw/zinc/49/78/22/409497822.db2.gz SHDSNOHYLZWWHJ-MGCOHNPYSA-N 0 3 195.266 0.341 20 0 ACADHN O[C@H]1C[C@H](NCc2ccncc2)C1 657809809 409498094 /nfs/dbraw/zinc/49/80/94/409498094.db2.gz OQBZJLTZZSCVNL-MGCOHNPYSA-N 0 3 178.235 0.695 20 0 ACADHN CCn1cncc1CN[C@H]1C[C@H](O)C1 657809490 409498245 /nfs/dbraw/zinc/49/82/45/409498245.db2.gz YQQYTVZZVZIMLH-CZMCAQCFSA-N 0 3 195.266 0.516 20 0 ACADHN O[C@H]1C[C@H](NCc2cc[nH]c2)C1 657809466 409498408 /nfs/dbraw/zinc/49/84/08/409498408.db2.gz LHTMFCFHXGFNIQ-KYZUINATSA-N 0 3 166.224 0.628 20 0 ACADHN COCCN[C@H]1CCCn2nccc21 657817841 409499799 /nfs/dbraw/zinc/49/97/99/409499799.db2.gz QEQBCEQKRJGXBY-VIFPVBQESA-N 0 3 195.266 0.954 20 0 ACADHN COCCN[C@@H]1CCCn2nccc21 657817839 409500019 /nfs/dbraw/zinc/50/00/19/409500019.db2.gz QEQBCEQKRJGXBY-SECBINFHSA-N 0 3 195.266 0.954 20 0 ACADHN CNCC(=O)N1C[C@@H](C)C[C@H]1C 158459097 409501070 /nfs/dbraw/zinc/50/10/70/409501070.db2.gz ZNYPVPANQNHLSF-JGVFFNPUSA-N 0 3 170.256 0.463 20 0 ACADHN CNCC(=O)N1C[C@@H](C)C[C@@H]1C 158458842 409501112 /nfs/dbraw/zinc/50/11/12/409501112.db2.gz ZNYPVPANQNHLSF-YUMQZZPRSA-N 0 3 170.256 0.463 20 0 ACADHN CNCC(=O)N1C[C@H](C)C[C@@H]1C 158458737 409501243 /nfs/dbraw/zinc/50/12/43/409501243.db2.gz ZNYPVPANQNHLSF-SFYZADRCSA-N 0 3 170.256 0.463 20 0 ACADHN CNCC(=O)N1C[C@H](C)C[C@H]1C 158458960 409501263 /nfs/dbraw/zinc/50/12/63/409501263.db2.gz ZNYPVPANQNHLSF-HTQZYQBOSA-N 0 3 170.256 0.463 20 0 ACADHN C[C@H](CO)N[C@H]1CCCn2nccc21 657846923 409501336 /nfs/dbraw/zinc/50/13/36/409501336.db2.gz XMDJWKXAFOMLEG-BDAKNGLRSA-N 0 3 195.266 0.688 20 0 ACADHN C[C@H](CO)N[C@@H]1CCCn2nccc21 657846924 409501421 /nfs/dbraw/zinc/50/14/21/409501421.db2.gz XMDJWKXAFOMLEG-RKDXNWHRSA-N 0 3 195.266 0.688 20 0 ACADHN c1cc(CNCCN2CCCC2)no1 161649344 409502774 /nfs/dbraw/zinc/50/27/74/409502774.db2.gz DYCLQCZWCMELNL-UHFFFAOYSA-N 0 3 195.266 0.860 20 0 ACADHN C[C@@H](CO)N[C@H]1CCCn2nccc21 657894270 409502889 /nfs/dbraw/zinc/50/28/89/409502889.db2.gz XMDJWKXAFOMLEG-IUCAKERBSA-N 0 3 195.266 0.688 20 0 ACADHN C[C@@H](CO)N[C@@H]1CCCn2nccc21 657894269 409502947 /nfs/dbraw/zinc/50/29/47/409502947.db2.gz XMDJWKXAFOMLEG-DTWKUNHWSA-N 0 3 195.266 0.688 20 0 ACADHN C[C@@H](Cn1cncn1)NCCF 658004604 409504496 /nfs/dbraw/zinc/50/44/96/409504496.db2.gz WBCASUMMGNOMMG-ZETCQYMHSA-N 0 3 172.207 0.226 20 0 ACADHN C[C@H](Cn1cncn1)NCCF 658004601 409504662 /nfs/dbraw/zinc/50/46/62/409504662.db2.gz WBCASUMMGNOMMG-SSDOTTSWSA-N 0 3 172.207 0.226 20 0 ACADHN C[C@H](Cn1cccn1)NC/C=C\CO 658133923 409508498 /nfs/dbraw/zinc/50/84/98/409508498.db2.gz HPODBMCFYSURKG-MXQLGCADSA-N 0 3 195.266 0.410 20 0 ACADHN C[C@@H](NC/C=C\CO)c1cn[nH]c1 658136193 409509313 /nfs/dbraw/zinc/50/93/13/409509313.db2.gz GYFFAMJMCTZXKA-YAJNLLPGSA-N 0 3 181.239 0.609 20 0 ACADHN CC1(C)C[C@@H](NC/C=C\CO)CO1 658134589 409509413 /nfs/dbraw/zinc/50/94/13/409509413.db2.gz AQEIMYCODIAIHJ-ZBJFTSOASA-N 0 3 185.267 0.692 20 0 ACADHN CCOC[C@H](C)NC/C=C\CO 658137264 409509449 /nfs/dbraw/zinc/50/94/49/409509449.db2.gz ZZXCJNTVERWHLN-WBSSQXGSSA-N 0 3 173.256 0.550 20 0 ACADHN CCOC[C@@H](C)NC/C=C/CO 658137265 409509535 /nfs/dbraw/zinc/50/95/35/409509535.db2.gz ZZXCJNTVERWHLN-XNPJLODASA-N 0 3 173.256 0.550 20 0 ACADHN C[C@H](NC/C=C\CO)c1cn[nH]c1 658136187 409509566 /nfs/dbraw/zinc/50/95/66/409509566.db2.gz GYFFAMJMCTZXKA-KZUAUGPASA-N 0 3 181.239 0.609 20 0 ACADHN CC1(C)C[C@@H](NC/C=C/CO)CO1 658134584 409509607 /nfs/dbraw/zinc/50/96/07/409509607.db2.gz AQEIMYCODIAIHJ-CDAZIORVSA-N 0 3 185.267 0.692 20 0 ACADHN C[C@@H](NC/C=C/CO)c1cn[nH]c1 658136192 409509619 /nfs/dbraw/zinc/50/96/19/409509619.db2.gz GYFFAMJMCTZXKA-UFUPEUMYSA-N 0 3 181.239 0.609 20 0 ACADHN CC1(C)C[C@H](NC/C=C\CO)CO1 658134588 409509676 /nfs/dbraw/zinc/50/96/76/409509676.db2.gz AQEIMYCODIAIHJ-TYRPZCRBSA-N 0 3 185.267 0.692 20 0 ACADHN CC1(C)C[C@H](NC/C=C/CO)CO1 658134585 409509698 /nfs/dbraw/zinc/50/96/98/409509698.db2.gz AQEIMYCODIAIHJ-NWALNABHSA-N 0 3 185.267 0.692 20 0 ACADHN C[C@@H](Cn1cccn1)NC/C=C/CO 658133924 409509715 /nfs/dbraw/zinc/50/97/15/409509715.db2.gz HPODBMCFYSURKG-PBKGFPTLSA-N 0 3 195.266 0.410 20 0 ACADHN C[C@@H](Cn1cccn1)NC/C=C\CO 658133926 409509982 /nfs/dbraw/zinc/50/99/82/409509982.db2.gz HPODBMCFYSURKG-ZMWSMAPVSA-N 0 3 195.266 0.410 20 0 ACADHN C[C@H](Cn1cccn1)NC/C=C/CO 658133925 409509825 /nfs/dbraw/zinc/50/98/25/409509825.db2.gz HPODBMCFYSURKG-VMZHVLLKSA-N 0 3 195.266 0.410 20 0 ACADHN CCOC[C@H](C)NC/C=C/CO 658137263 409509869 /nfs/dbraw/zinc/50/98/69/409509869.db2.gz ZZXCJNTVERWHLN-MOVJSRMASA-N 0 3 173.256 0.550 20 0 ACADHN Cc1n[nH]cc1[C@@H](C)NC/C=C\CO 658137517 409509879 /nfs/dbraw/zinc/50/98/79/409509879.db2.gz ISOGVSKOGWZYEG-TUUFMJSCSA-N 0 3 195.266 0.917 20 0 ACADHN Cc1n[nH]cc1[C@H](C)NC/C=C\CO 658137521 409509965 /nfs/dbraw/zinc/50/99/65/409509965.db2.gz ISOGVSKOGWZYEG-VEMNSZJBSA-N 0 3 195.266 0.917 20 0 ACADHN C[C@H](NC/C=C/CO)c1cn[nH]c1 658136190 409509991 /nfs/dbraw/zinc/50/99/91/409509991.db2.gz GYFFAMJMCTZXKA-SGJFDWMWSA-N 0 3 181.239 0.609 20 0 ACADHN Cc1n[nH]cc1[C@@H](C)NC/C=C/CO 658137509 409510027 /nfs/dbraw/zinc/51/00/27/409510027.db2.gz ISOGVSKOGWZYEG-MPJRPATESA-N 0 3 195.266 0.917 20 0 ACADHN CCOC[C@@H](C)NC/C=C\CO 658137266 409510051 /nfs/dbraw/zinc/51/00/51/409510051.db2.gz ZZXCJNTVERWHLN-XRVBUDJMSA-N 0 3 173.256 0.550 20 0 ACADHN Cc1n[nH]cc1[C@H](C)NC/C=C/CO 658137512 409510093 /nfs/dbraw/zinc/51/00/93/409510093.db2.gz ISOGVSKOGWZYEG-RTMURIBGSA-N 0 3 195.266 0.917 20 0 ACADHN CCCC(=O)NCCNCCOC 212713390 409512053 /nfs/dbraw/zinc/51/20/53/409512053.db2.gz CHWKBOCDTGPCBT-UHFFFAOYSA-N 0 3 188.271 0.139 20 0 ACADHN CCCN1CCN(C)C[C@@H]1CO 218879663 409514975 /nfs/dbraw/zinc/51/49/75/409514975.db2.gz IHGGZABRJIUPDI-SECBINFHSA-N 0 3 172.272 0.005 20 0 ACADHN CO[C@@]1(C)C[C@H]1N[C@H]1CCCOC1 658330749 409514986 /nfs/dbraw/zinc/51/49/86/409514986.db2.gz GGBNWNKPQFUAOF-AEJSXWLSSA-N 0 3 185.267 0.932 20 0 ACADHN C[C@H](N[C@H]1C[C@H](O)C1)c1ccnn1C 658348010 409517410 /nfs/dbraw/zinc/51/74/10/409517410.db2.gz KRSSTCLZUAZEOB-CIUDSAMLSA-N 0 3 195.266 0.594 20 0 ACADHN CO[C@@]1(C)C[C@H]1N[C@@H]1CCCOC1 658330751 409516079 /nfs/dbraw/zinc/51/60/79/409516079.db2.gz GGBNWNKPQFUAOF-BBBLOLIVSA-N 0 3 185.267 0.932 20 0 ACADHN CCCCN1CCN(C)C[C@@H]1CO 219273038 409516732 /nfs/dbraw/zinc/51/67/32/409516732.db2.gz GEKCJMWEZZWRPQ-SNVBAGLBSA-N 0 3 186.299 0.395 20 0 ACADHN CCN1C[C@@H]2C[C@H]1CN2CC 219720787 409517209 /nfs/dbraw/zinc/51/72/09/409517209.db2.gz OUHYJESYETXUQZ-IUCAKERBSA-N 0 3 154.257 0.785 20 0 ACADHN C[C@@H](N[C@H]1C[C@H](O)C1)c1cn[nH]c1 658348438 409517434 /nfs/dbraw/zinc/51/74/34/409517434.db2.gz PZVRCWSJSUJJMI-FTLITQJKSA-N 0 3 181.239 0.584 20 0 ACADHN C[C@@H](N[C@H]1C[C@H](O)C1)c1ccnn1C 658348011 409517389 /nfs/dbraw/zinc/51/73/89/409517389.db2.gz KRSSTCLZUAZEOB-IWSPIJDZSA-N 0 3 195.266 0.594 20 0 ACADHN CN[C@@H](C)C(=O)N1C[C@@H](C)[C@@H](C)C1 219831546 409517401 /nfs/dbraw/zinc/51/74/01/409517401.db2.gz LPMUDWLZURPXLM-YIZRAAEISA-N 0 3 184.283 0.709 20 0 ACADHN CO[C@@]1(C)C[C@H]1N[C@H](C)CC(N)=O 658334422 409518037 /nfs/dbraw/zinc/51/80/37/409518037.db2.gz IOVXOQQWKSWQEZ-BHNWBGBOSA-N 0 3 186.255 0.017 20 0 ACADHN CC(C)CN1CCN(C)C[C@@H]1CO 219273104 409518078 /nfs/dbraw/zinc/51/80/78/409518078.db2.gz RCLNLLXILLOAGO-SNVBAGLBSA-N 0 3 186.299 0.251 20 0 ACADHN CN[C@@H](C)C(=O)N1C[C@H](C)[C@@H](C)C1 219831609 409518110 /nfs/dbraw/zinc/51/81/10/409518110.db2.gz LPMUDWLZURPXLM-CIUDSAMLSA-N 0 3 184.283 0.709 20 0 ACADHN C[C@H](N[C@H]1C[C@H](O)C1)c1cn[nH]c1 658348439 409518313 /nfs/dbraw/zinc/51/83/13/409518313.db2.gz PZVRCWSJSUJJMI-XVYDVKMFSA-N 0 3 181.239 0.584 20 0 ACADHN CO[C@@]1(C)C[C@H]1N[C@@H](C)CC(N)=O 658334423 409518401 /nfs/dbraw/zinc/51/84/01/409518401.db2.gz IOVXOQQWKSWQEZ-OOZYFLPDSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H](N[C@H]1C[C@H](O)C1)c1cnn(C)c1 658350629 409520259 /nfs/dbraw/zinc/52/02/59/409520259.db2.gz QMLTYGPSYPCBAX-HGNGGELXSA-N 0 3 195.266 0.594 20 0 ACADHN Cc1n[nH]cc1[C@@H](C)N[C@H]1C[C@H](O)C1 658351412 409520276 /nfs/dbraw/zinc/52/02/76/409520276.db2.gz VUHMMHPJVKGXHK-FTLITQJKSA-N 0 3 195.266 0.892 20 0 ACADHN C[C@@H](N[C@H]1C[C@H](O)C1)c1cnn(C)c1 658350631 409520649 /nfs/dbraw/zinc/52/06/49/409520649.db2.gz QMLTYGPSYPCBAX-SZEHBUNVSA-N 0 3 195.266 0.594 20 0 ACADHN Cc1n[nH]cc1[C@H](C)N[C@H]1C[C@H](O)C1 658351416 409520721 /nfs/dbraw/zinc/52/07/21/409520721.db2.gz VUHMMHPJVKGXHK-XVYDVKMFSA-N 0 3 195.266 0.892 20 0 ACADHN C[C@@H](NC1CC(CO)C1)c1cn[nH]c1 658354249 409523134 /nfs/dbraw/zinc/52/31/34/409523134.db2.gz YUFHDSJRKCLMNL-ZNFPMYQNSA-N 0 3 195.266 0.831 20 0 ACADHN C[C@H](NC1CC(CO)C1)c1cn[nH]c1 658354248 409523509 /nfs/dbraw/zinc/52/35/09/409523509.db2.gz YUFHDSJRKCLMNL-JEUQWKINSA-N 0 3 195.266 0.831 20 0 ACADHN CC(C)(F)CCNC(=O)C(C)(C)N 658954524 409523732 /nfs/dbraw/zinc/52/37/32/409523732.db2.gz NGUOIFAVSKWYAN-UHFFFAOYSA-N 0 3 190.262 0.978 20 0 ACADHN CC(C)(N)C(=O)NCCc1ccoc1 658954510 409523890 /nfs/dbraw/zinc/52/38/90/409523890.db2.gz MZOJNBLCWYYPKB-UHFFFAOYSA-N 0 3 196.250 0.676 20 0 ACADHN CCNC(=O)N1CC[C@@H](F)[C@H](N)C1 658407767 409524054 /nfs/dbraw/zinc/52/40/54/409524054.db2.gz AZLTZROSQSOGDP-RNFRBKRXSA-N 0 3 189.234 0.087 20 0 ACADHN CN(C)C(=O)N1CC[C@@H](F)[C@H](N)C1 658408412 409524119 /nfs/dbraw/zinc/52/41/19/409524119.db2.gz RIMWHJMVEHGUOF-RNFRBKRXSA-N 0 3 189.234 0.039 20 0 ACADHN CC(C)[C@H](N)C(=O)N1CC[C@H]2C[C@H]2C1 658964270 409524147 /nfs/dbraw/zinc/52/41/47/409524147.db2.gz WVMDVJHUMRNWTO-GUBZILKMSA-N 0 3 196.294 0.838 20 0 ACADHN CC(C)[C@H](N)C(=O)N1CC[C@@H]2C[C@@H]2C1 658964269 409524196 /nfs/dbraw/zinc/52/41/96/409524196.db2.gz WVMDVJHUMRNWTO-BBBLOLIVSA-N 0 3 196.294 0.838 20 0 ACADHN O=C(CNC1CC1)N[C@]12CCC[C@H]1C2 659334600 409525325 /nfs/dbraw/zinc/52/53/25/409525325.db2.gz CFKAEUWAJVUNRB-KWQFWETISA-N 0 3 194.278 0.797 20 0 ACADHN CN[C@H](C)C(=O)N[C@]12CCC[C@H]1C2 659336304 409525297 /nfs/dbraw/zinc/52/52/97/409525297.db2.gz MVPAWRPRQSWRPD-WEDXCCLWSA-N 0 3 182.267 0.653 20 0 ACADHN CN[C@H](C)C(=O)N[C@@]12CCC[C@@H]1C2 659336302 409526383 /nfs/dbraw/zinc/52/63/83/409526383.db2.gz MVPAWRPRQSWRPD-NQMVMOMDSA-N 0 3 182.267 0.653 20 0 ACADHN O=C(CNC1CC1)N[C@@]12CCC[C@@H]1C2 659334601 409526582 /nfs/dbraw/zinc/52/65/82/409526582.db2.gz CFKAEUWAJVUNRB-LDYMZIIASA-N 0 3 194.278 0.797 20 0 ACADHN C[C@H](N)C(=O)N1CCC[C@@H]2OCC[C@@H]21 659334025 409526743 /nfs/dbraw/zinc/52/67/43/409526743.db2.gz BDYNPTAJTZUFME-CIUDSAMLSA-N 0 3 198.266 0.114 20 0 ACADHN C[C@@H](N)C(=O)N1CCC[C@@H]2OCC[C@@H]21 659334026 409527622 /nfs/dbraw/zinc/52/76/22/409527622.db2.gz BDYNPTAJTZUFME-VGMNWLOBSA-N 0 3 198.266 0.114 20 0 ACADHN C[C@H](N)C(=O)NCCC(C)(C)F 659357737 409528621 /nfs/dbraw/zinc/52/86/21/409528621.db2.gz CRHZCFDVXNEZRW-LURJTMIESA-N 0 3 176.235 0.588 20 0 ACADHN CC[C@@H](C)CCNC(=O)[C@@H](C)N 659340020 409528672 /nfs/dbraw/zinc/52/86/72/409528672.db2.gz FXEKPZALBQWNSC-HTQZYQBOSA-N 0 3 172.272 0.886 20 0 ACADHN NC1(C(=O)NCCc2ccoc2)CC1 659361509 409529062 /nfs/dbraw/zinc/52/90/62/409529062.db2.gz PXBBNXJWENBDGW-UHFFFAOYSA-N 0 3 194.234 0.430 20 0 ACADHN CC[C@@H](C)CCNC(=O)CNC 659340048 409529075 /nfs/dbraw/zinc/52/90/75/409529075.db2.gz GGYJJCRVFUCTOY-MRVPVSSYSA-N 0 3 172.272 0.758 20 0 ACADHN CNCC(=O)NCCCC1CCC1 659361381 409529177 /nfs/dbraw/zinc/52/91/77/409529177.db2.gz JQCPFPQZVGYFFN-UHFFFAOYSA-N 0 3 184.283 0.902 20 0 ACADHN CC[C@H](C)CCNC(=O)[C@H](C)N 659340028 409529243 /nfs/dbraw/zinc/52/92/43/409529243.db2.gz FXEKPZALBQWNSC-YUMQZZPRSA-N 0 3 172.272 0.886 20 0 ACADHN O=C(CNC1CC1)NCC1=CCCC1 659379416 409529468 /nfs/dbraw/zinc/52/94/68/409529468.db2.gz GYQKYTQCGGNWLQ-UHFFFAOYSA-N 0 3 194.278 0.965 20 0 ACADHN CN[C@@H](C)C(=O)NCC1=CCCC1 659379173 409529561 /nfs/dbraw/zinc/52/95/61/409529561.db2.gz BCBLQZPHOHWXBC-QMMMGPOBSA-N 0 3 182.267 0.821 20 0 ACADHN CN[C@@H](C)C(=O)NCCc1ccoc1 659361228 409529773 /nfs/dbraw/zinc/52/97/73/409529773.db2.gz NGISEEVDKHKBIE-QMMMGPOBSA-N 0 3 196.250 0.546 20 0 ACADHN CNCC(=O)N[C@]12CCC[C@H]1C2 659338562 409529836 /nfs/dbraw/zinc/52/98/36/409529836.db2.gz YBDVHZPPSLAEMW-CBAPKCEASA-N 0 3 168.240 0.265 20 0 ACADHN C[C@H](N)C(=O)NCCc1ccoc1 659361538 409529882 /nfs/dbraw/zinc/52/98/82/409529882.db2.gz QEQUVQRULQBGFI-ZETCQYMHSA-N 0 3 182.223 0.286 20 0 ACADHN CC(C)(F)CCNC(=O)C1(N)CC1 659359597 409529935 /nfs/dbraw/zinc/52/99/35/409529935.db2.gz SZYGEUBEQNFUGK-UHFFFAOYSA-N 0 3 188.246 0.732 20 0 ACADHN CN[C@@H](C)C(=O)NCCC(C)(C)F 659360144 409530101 /nfs/dbraw/zinc/53/01/01/409530101.db2.gz FTXVPNCCBDSKCO-ZETCQYMHSA-N 0 3 190.262 0.849 20 0 ACADHN C[C@@H](N)C(=O)NCCc1ccoc1 659361536 409530244 /nfs/dbraw/zinc/53/02/44/409530244.db2.gz QEQUVQRULQBGFI-SSDOTTSWSA-N 0 3 182.223 0.286 20 0 ACADHN CC[C@H](C)CCNC(=O)CNC 659340049 409530280 /nfs/dbraw/zinc/53/02/80/409530280.db2.gz GGYJJCRVFUCTOY-QMMMGPOBSA-N 0 3 172.272 0.758 20 0 ACADHN CNCC(=O)NCCC(C)(C)F 659357677 409530342 /nfs/dbraw/zinc/53/03/42/409530342.db2.gz AYWPFBQQLGMWLW-UHFFFAOYSA-N 0 3 176.235 0.460 20 0 ACADHN CC[C@@H](C)CCNC(=O)[C@H](C)N 659340023 409530411 /nfs/dbraw/zinc/53/04/11/409530411.db2.gz FXEKPZALBQWNSC-SFYZADRCSA-N 0 3 172.272 0.886 20 0 ACADHN CNCC(=O)NCC1=CCCC1 659379391 409530849 /nfs/dbraw/zinc/53/08/49/409530849.db2.gz GALKFIHVANBACE-UHFFFAOYSA-N 0 3 168.240 0.432 20 0 ACADHN CC[C@H](C)CCNC(=O)[C@@H](C)N 659340021 409530953 /nfs/dbraw/zinc/53/09/53/409530953.db2.gz FXEKPZALBQWNSC-JGVFFNPUSA-N 0 3 172.272 0.886 20 0 ACADHN CNCC(=O)NCCc1ccoc1 659360131 409530977 /nfs/dbraw/zinc/53/09/77/409530977.db2.gz FHBZZVRCNLAJJJ-UHFFFAOYSA-N 0 3 182.223 0.158 20 0 ACADHN CNCC(=O)N[C@@]12CCC[C@@H]1C2 659338564 409531143 /nfs/dbraw/zinc/53/11/43/409531143.db2.gz YBDVHZPPSLAEMW-VXNVDRBHSA-N 0 3 168.240 0.265 20 0 ACADHN C[C@@H](N)C(=O)NCCC(C)(C)F 659357738 409531311 /nfs/dbraw/zinc/53/13/11/409531311.db2.gz CRHZCFDVXNEZRW-ZCFIWIBFSA-N 0 3 176.235 0.588 20 0 ACADHN C[C@H](N)C(=O)NCCCc1ccco1 659384623 409532398 /nfs/dbraw/zinc/53/23/98/409532398.db2.gz SWZWKTJCTDAVJB-QMMMGPOBSA-N 0 3 196.250 0.676 20 0 ACADHN CCC(=O)N1CC[C@@H](F)[C@H](N)C1 659391665 409532496 /nfs/dbraw/zinc/53/24/96/409532496.db2.gz BFZVUUCEPYAPLM-RNFRBKRXSA-N 0 3 174.219 0.294 20 0 ACADHN CNCC(=O)NCCCc1ccco1 659384638 409532784 /nfs/dbraw/zinc/53/27/84/409532784.db2.gz UCGPDHJUTVYZQY-UHFFFAOYSA-N 0 3 196.250 0.548 20 0 ACADHN CNCC(=O)NC1(CC(C)C)CC1 659383444 409533397 /nfs/dbraw/zinc/53/33/97/409533397.db2.gz RELACMOURAKHQQ-UHFFFAOYSA-N 0 3 184.283 0.901 20 0 ACADHN CCCC(=O)N1CC[C@@H](F)[C@H](N)C1 659391909 409534208 /nfs/dbraw/zinc/53/42/08/409534208.db2.gz MKYSCDSFADYBFX-HTQZYQBOSA-N 0 3 188.246 0.684 20 0 ACADHN CC(C)C(=O)N1CC[C@@H](F)[C@H](N)C1 659391836 409534418 /nfs/dbraw/zinc/53/44/18/409534418.db2.gz JKXQTFWARYPGJN-HTQZYQBOSA-N 0 3 188.246 0.540 20 0 ACADHN N[C@@H]1CN(C(=O)C2CC2)CC[C@H]1F 659391767 409534521 /nfs/dbraw/zinc/53/45/21/409534521.db2.gz FOOCMGKARPVCEM-HTQZYQBOSA-N 0 3 186.230 0.294 20 0 ACADHN C[C@@H](N)C(=O)NCCCc1ccco1 659384622 409534664 /nfs/dbraw/zinc/53/46/64/409534664.db2.gz SWZWKTJCTDAVJB-MRVPVSSYSA-N 0 3 196.250 0.676 20 0 ACADHN Cc1cc(NC(=O)C2(N)CC2)nn1C 300777532 409535372 /nfs/dbraw/zinc/53/53/72/409535372.db2.gz NGLIAWJSOXBZJU-UHFFFAOYSA-N 0 3 194.238 0.158 20 0 ACADHN CC[C@H](N)C(=O)Nc1ccnn1CC 306191316 409545658 /nfs/dbraw/zinc/54/56/58/409545658.db2.gz GFYDMQOJHULZSE-ZETCQYMHSA-N 0 3 196.254 0.579 20 0 ACADHN CC(C)(N)C(=O)Nc1ccc(N)nc1 306209640 409546109 /nfs/dbraw/zinc/54/61/09/409546109.db2.gz NHWFXNKFMPYKLC-UHFFFAOYSA-N 0 3 194.238 0.340 20 0 ACADHN NC1(C(=O)Nc2ccc[nH]c2=O)CC1 306193360 409546726 /nfs/dbraw/zinc/54/67/26/409546726.db2.gz SUFQWWLRZQAPAT-UHFFFAOYSA-N 0 3 193.206 0.217 20 0 ACADHN CN1CCN([C@@H]2COC(C)(C)C2)CC1 659831257 409547002 /nfs/dbraw/zinc/54/70/02/409547002.db2.gz GERJLTBOJVUMSI-JTQLQIEISA-N 0 3 198.310 0.801 20 0 ACADHN CCN1CC[C@H](N(CC)CC)C1=O 659830026 409547056 /nfs/dbraw/zinc/54/70/56/409547056.db2.gz BSGOUWDAEDVTOW-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN CN(CC(=O)N(C)C)CC1CC=CC1 659830791 409547196 /nfs/dbraw/zinc/54/71/96/409547196.db2.gz LBEJSIQSBSGVMH-UHFFFAOYSA-N 0 3 196.294 0.973 20 0 ACADHN CN1CCN([C@H]2COC(C)(C)C2)CC1 659831258 409547973 /nfs/dbraw/zinc/54/79/73/409547973.db2.gz GERJLTBOJVUMSI-SNVBAGLBSA-N 0 3 198.310 0.801 20 0 ACADHN CCN1CC[C@@H](N(CC)CC)C1=O 659830025 409548821 /nfs/dbraw/zinc/54/88/21/409548821.db2.gz BSGOUWDAEDVTOW-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CN(CC(N)=O)CC1CC=CC1 659839634 409549922 /nfs/dbraw/zinc/54/99/22/409549922.db2.gz SAPIPFKMTTZZAY-UHFFFAOYSA-N 0 3 168.240 0.370 20 0 ACADHN CN(C[C@@H]1CCC(=O)N1)C1CC1 306265956 409549977 /nfs/dbraw/zinc/54/99/77/409549977.db2.gz BPOKXDSKCUGMLS-ZETCQYMHSA-N 0 3 168.240 0.359 20 0 ACADHN CNC(=O)CN(C)CCC1CCC1 659837755 409550243 /nfs/dbraw/zinc/55/02/43/409550243.db2.gz IDWRQGOOJIGEQJ-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CNC(=O)CN(C)CC1CC=CC1 659838606 409550419 /nfs/dbraw/zinc/55/04/19/409550419.db2.gz PQQRPFOIXCXVHP-UHFFFAOYSA-N 0 3 182.267 0.630 20 0 ACADHN CCN1CC[C@@H](N(C)CC2CC2)C1=O 659844222 409550690 /nfs/dbraw/zinc/55/06/90/409550690.db2.gz AYRQXDIVTYBBIX-SNVBAGLBSA-N 0 3 196.294 0.949 20 0 ACADHN CCN1CC[C@H](N(C)CC2CC2)C1=O 659844221 409550957 /nfs/dbraw/zinc/55/09/57/409550957.db2.gz AYRQXDIVTYBBIX-JTQLQIEISA-N 0 3 196.294 0.949 20 0 ACADHN CN(CCCC1CCC1)CC(N)=O 659838007 409552598 /nfs/dbraw/zinc/55/25/98/409552598.db2.gz DRQIZJFEBPFOBQ-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN CN(C(=O)[C@@H]1NCC1(C)C)C1CC1 306288405 409553624 /nfs/dbraw/zinc/55/36/24/409553624.db2.gz MPTKDQYFPGYXPO-QMMMGPOBSA-N 0 3 182.267 0.605 20 0 ACADHN CNCC(=O)N[C@@H]1CCS[C@H]1C 306297441 409553844 /nfs/dbraw/zinc/55/38/44/409553844.db2.gz FMEUEMSUKWMNTP-NKWVEPMBSA-N 0 3 188.296 0.216 20 0 ACADHN COC[C@@H](C)N[C@@H](C)CF 306290235 409553977 /nfs/dbraw/zinc/55/39/77/409553977.db2.gz PCQKXWCUEVCOKU-NKWVEPMBSA-N 0 3 149.209 0.969 20 0 ACADHN CNCC(=O)N[C@H]1CCS[C@H]1C 306297440 409554339 /nfs/dbraw/zinc/55/43/39/409554339.db2.gz FMEUEMSUKWMNTP-BQBZGAKWSA-N 0 3 188.296 0.216 20 0 ACADHN CNCC(=O)N[C@H]1CCS[C@@H]1C 306297444 409556045 /nfs/dbraw/zinc/55/60/45/409556045.db2.gz FMEUEMSUKWMNTP-RQJHMYQMSA-N 0 3 188.296 0.216 20 0 ACADHN CNCC(=O)N[C@@H]1CCS[C@@H]1C 306297443 409556456 /nfs/dbraw/zinc/55/64/56/409556456.db2.gz FMEUEMSUKWMNTP-RNFRBKRXSA-N 0 3 188.296 0.216 20 0 ACADHN CN(C(=O)[C@H]1NCC1(C)C)C1CC1 306288404 409556566 /nfs/dbraw/zinc/55/65/66/409556566.db2.gz MPTKDQYFPGYXPO-MRVPVSSYSA-N 0 3 182.267 0.605 20 0 ACADHN COC[C@H](C)N[C@@H](C)CF 306290234 409556728 /nfs/dbraw/zinc/55/67/28/409556728.db2.gz PCQKXWCUEVCOKU-BQBZGAKWSA-N 0 3 149.209 0.969 20 0 ACADHN CCCN(C)[C@H]1CCN(CC)C1=O 659859619 409557040 /nfs/dbraw/zinc/55/70/40/409557040.db2.gz LVAGBCIQYKIROJ-VIFPVBQESA-N 0 3 184.283 0.949 20 0 ACADHN c1n[nH]nc1CCN1CCCOCC1 659858559 409557325 /nfs/dbraw/zinc/55/73/25/409557325.db2.gz BJEOYYARJHWZOB-UHFFFAOYSA-N 0 3 196.254 0.070 20 0 ACADHN c1[nH]nnc1CCN1CCCOCC1 659858559 409557334 /nfs/dbraw/zinc/55/73/34/409557334.db2.gz BJEOYYARJHWZOB-UHFFFAOYSA-N 0 3 196.254 0.070 20 0 ACADHN CCCN(C)[C@@H]1CCN(CC)C1=O 659859618 409557357 /nfs/dbraw/zinc/55/73/57/409557357.db2.gz LVAGBCIQYKIROJ-SECBINFHSA-N 0 3 184.283 0.949 20 0 ACADHN CCN1CC[C@H](N2CC[C@@H](C)C2)C1=O 659869282 409558773 /nfs/dbraw/zinc/55/87/73/409558773.db2.gz WISICRXWAFHCRN-ZJUUUORDSA-N 0 3 196.294 0.949 20 0 ACADHN CCN1CC[C@@H](N2CC[C@@H](C)C2)C1=O 659869277 409559184 /nfs/dbraw/zinc/55/91/84/409559184.db2.gz WISICRXWAFHCRN-NXEZZACHSA-N 0 3 196.294 0.949 20 0 ACADHN CCN(CCO)[C@H]1COC(C)(C)C1 659878988 409559340 /nfs/dbraw/zinc/55/93/40/409559340.db2.gz QKKFPMGUWLADJX-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN CCN1CC[C@@H](N2CC[C@H](C)C2)C1=O 659869281 409559361 /nfs/dbraw/zinc/55/93/61/409559361.db2.gz WISICRXWAFHCRN-VHSXEESVSA-N 0 3 196.294 0.949 20 0 ACADHN CCN1CC[C@H](N2CC[C@H](C)C2)C1=O 659869280 409561536 /nfs/dbraw/zinc/56/15/36/409561536.db2.gz WISICRXWAFHCRN-UWVGGRQHSA-N 0 3 196.294 0.949 20 0 ACADHN CC1(C)CN[C@@H]1C(=O)NCC1CC1 306353162 409561563 /nfs/dbraw/zinc/56/15/63/409561563.db2.gz PXOIFGVSJNBDNN-MRVPVSSYSA-N 0 3 182.267 0.511 20 0 ACADHN CC1(C)CN[C@H]1C(=O)NCC1CC1 306353164 409561583 /nfs/dbraw/zinc/56/15/83/409561583.db2.gz PXOIFGVSJNBDNN-QMMMGPOBSA-N 0 3 182.267 0.511 20 0 ACADHN CCN(CCO)[C@@H]1COC(C)(C)C1 659878989 409561831 /nfs/dbraw/zinc/56/18/31/409561831.db2.gz QKKFPMGUWLADJX-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN Cc1cnn(C)c1CN[C@@H]1CCOC1 306385397 409562090 /nfs/dbraw/zinc/56/20/90/409562090.db2.gz WZSZHGNDAPTDOB-SECBINFHSA-N 0 3 195.266 0.607 20 0 ACADHN NCc1noc(C2(N)CCCCC2)n1 306420279 409564268 /nfs/dbraw/zinc/56/42/68/409564268.db2.gz ZFRVQHOGIRVWNR-UHFFFAOYSA-N 0 3 196.254 0.646 20 0 ACADHN CN(CCc1cn[nH]n1)[C@H]1CCOC1 659907576 409565557 /nfs/dbraw/zinc/56/55/57/409565557.db2.gz IWRJHVYAXRYFAX-VIFPVBQESA-N 0 3 196.254 0.068 20 0 ACADHN CN(CCc1cn[nH]n1)[C@@H]1CCOC1 659907575 409566043 /nfs/dbraw/zinc/56/60/43/409566043.db2.gz IWRJHVYAXRYFAX-SECBINFHSA-N 0 3 196.254 0.068 20 0 ACADHN CN(C(=O)C1(N)CC1)c1nccs1 306427556 409568149 /nfs/dbraw/zinc/56/81/49/409568149.db2.gz LEBGKXREEFKLIV-UHFFFAOYSA-N 0 3 197.263 0.597 20 0 ACADHN CC(C)=CCCN1C[C@H](O)[C@H](O)C1 659979452 409572870 /nfs/dbraw/zinc/57/28/70/409572870.db2.gz LMUOWTFPFJKTNU-AOOOYVTPSA-N 0 3 185.267 0.380 20 0 ACADHN CO[C@H]1CCN(CCc2cn[nH]n2)C1 659986464 409573260 /nfs/dbraw/zinc/57/32/60/409573260.db2.gz KZJTWYXDOKJSDQ-VIFPVBQESA-N 0 3 196.254 0.068 20 0 ACADHN C[C@H](N[C@H]1CCC[C@@H]1O)c1cn[nH]c1 306509959 409573828 /nfs/dbraw/zinc/57/38/28/409573828.db2.gz KBGJYZAQNVGZMA-HGNGGELXSA-N 0 3 195.266 0.974 20 0 ACADHN O[C@H]1CN(CCCC2CCC2)C[C@H]1O 659978189 409574644 /nfs/dbraw/zinc/57/46/44/409574644.db2.gz AYNQPIPHIQDIPY-PHIMTYICSA-N 0 3 199.294 0.604 20 0 ACADHN CC1CC(NC(=O)[C@H]2NCC2(C)C)C1 306533344 409575075 /nfs/dbraw/zinc/57/50/75/409575075.db2.gz HLRJEYPQACMQPP-AMDVSUOASA-N 0 3 196.294 0.899 20 0 ACADHN CC1(C)CN[C@@H]1C(=O)Nc1cn[nH]c1 306538379 409575116 /nfs/dbraw/zinc/57/51/16/409575116.db2.gz MGWIRTBKZVZDLP-SSDOTTSWSA-N 0 3 194.238 0.346 20 0 ACADHN CC1(C)CN[C@H]1C(=O)Nc1cn[nH]c1 306538380 409575476 /nfs/dbraw/zinc/57/54/76/409575476.db2.gz MGWIRTBKZVZDLP-ZETCQYMHSA-N 0 3 194.238 0.346 20 0 ACADHN CC1CC(NC(=O)[C@@H]2NCC2(C)C)C1 306533346 409575542 /nfs/dbraw/zinc/57/55/42/409575542.db2.gz HLRJEYPQACMQPP-HACHORDNSA-N 0 3 196.294 0.899 20 0 ACADHN C[C@@H]1C[C@H](O)CN(Cc2cn[nH]c2)C1 306696281 409583050 /nfs/dbraw/zinc/58/30/50/409583050.db2.gz XCQNNSYRYDQAAB-SCZZXKLOSA-N 0 3 195.266 0.612 20 0 ACADHN CN(CCC1CCC1)[C@@H]1CCNC1=O 660132318 409583554 /nfs/dbraw/zinc/58/35/54/409583554.db2.gz BFEPPWYHKNNDIT-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN C[C@H]1C[C@@H](O)CN(Cc2cn[nH]c2)C1 306696282 409583914 /nfs/dbraw/zinc/58/39/14/409583914.db2.gz XCQNNSYRYDQAAB-WCBMZHEXSA-N 0 3 195.266 0.612 20 0 ACADHN C[C@H](N)C(=O)NCc1ccc(F)cn1 306703385 409583960 /nfs/dbraw/zinc/58/39/60/409583960.db2.gz ARVDUDKOKBPUJA-LURJTMIESA-N 0 3 197.213 0.184 20 0 ACADHN CN(CCC1CCC1)[C@H]1CCNC1=O 660132317 409584090 /nfs/dbraw/zinc/58/40/90/409584090.db2.gz BFEPPWYHKNNDIT-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN CN(CC1CC=CC1)[C@H]1CCNC1=O 660134706 409586250 /nfs/dbraw/zinc/58/62/50/409586250.db2.gz RNBOAHLHWQDAPL-JTQLQIEISA-N 0 3 194.278 0.773 20 0 ACADHN CN(CC1CC=CC1)[C@@H]1CCNC1=O 660134708 409586649 /nfs/dbraw/zinc/58/66/49/409586649.db2.gz RNBOAHLHWQDAPL-SNVBAGLBSA-N 0 3 194.278 0.773 20 0 ACADHN CCNC(=O)N1CCN[C@H](C(C)C)C1 660185568 409587947 /nfs/dbraw/zinc/58/79/47/409587947.db2.gz SCCWNPKCPURHPA-VIFPVBQESA-N 0 3 199.298 0.646 20 0 ACADHN CCNC(=O)N1CCN[C@@H](C(C)C)C1 660185567 409588093 /nfs/dbraw/zinc/58/80/93/409588093.db2.gz SCCWNPKCPURHPA-SECBINFHSA-N 0 3 199.298 0.646 20 0 ACADHN C1=CCN(CCc2cn[nH]n2)CC1 660222268 409589130 /nfs/dbraw/zinc/58/91/30/409589130.db2.gz VRFDFUNSZWBTCE-UHFFFAOYSA-N 0 3 178.239 0.609 20 0 ACADHN Cc1ncc(NC(=O)C2(N)CC2)cn1 306783083 409590432 /nfs/dbraw/zinc/59/04/32/409590432.db2.gz GAHQWWDWAXKRKH-UHFFFAOYSA-N 0 3 192.222 0.215 20 0 ACADHN Cc1c[nH]c(NC(=O)CNC2CC2)n1 306798091 409591687 /nfs/dbraw/zinc/59/16/87/409591687.db2.gz LMRPPFQPRDOYNS-UHFFFAOYSA-N 0 3 194.238 0.409 20 0 ACADHN CC(C)=CCCNC1(C(N)=O)CC1 660226305 409591955 /nfs/dbraw/zinc/59/19/55/409591955.db2.gz WAYJBHUCHDDKFY-UHFFFAOYSA-N 0 3 182.267 0.950 20 0 ACADHN NC(=O)C1(NCCC2CCC2)CC1 660223055 409593026 /nfs/dbraw/zinc/59/30/26/409593026.db2.gz BRISTQDQXGYHFX-UHFFFAOYSA-N 0 3 182.267 0.784 20 0 ACADHN C[C@H]1OCCN(C(=O)C2(N)CC2)[C@@H]1C 306818796 409593695 /nfs/dbraw/zinc/59/36/95/409593695.db2.gz CGUZQYGAGCIPEP-HTQZYQBOSA-N 0 3 198.266 0.114 20 0 ACADHN C[C@@H]1OCCN(C(=O)C2(N)CC2)[C@@H]1C 306818800 409593966 /nfs/dbraw/zinc/59/39/66/409593966.db2.gz CGUZQYGAGCIPEP-SFYZADRCSA-N 0 3 198.266 0.114 20 0 ACADHN C[C@H]1[C@@H](C)OCCN1C(=O)C1(N)CC1 306818798 409594679 /nfs/dbraw/zinc/59/46/79/409594679.db2.gz CGUZQYGAGCIPEP-JGVFFNPUSA-N 0 3 198.266 0.114 20 0 ACADHN C[C@@H]1OCCN(C(=O)C2(N)CC2)[C@H]1C 306818802 409594963 /nfs/dbraw/zinc/59/49/63/409594963.db2.gz CGUZQYGAGCIPEP-YUMQZZPRSA-N 0 3 198.266 0.114 20 0 ACADHN CCN(CC(N)=O)CC1CC=CC1 660393231 409596343 /nfs/dbraw/zinc/59/63/43/409596343.db2.gz MZNDQKFOWHNKDF-UHFFFAOYSA-N 0 3 182.267 0.760 20 0 ACADHN CC[C@H]1C[C@H](C)CN1C(=O)[C@@H](C)N 306869187 409597375 /nfs/dbraw/zinc/59/73/75/409597375.db2.gz RUJWVSROYBBBPF-YIZRAAEISA-N 0 3 184.283 0.981 20 0 ACADHN C[C@H](O)CCN1CCO[C@@H](C)[C@@H]1C 306853728 409597736 /nfs/dbraw/zinc/59/77/36/409597736.db2.gz UEOXDZDYANOMPI-GUBZILKMSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@@H](C)N 306869186 409597786 /nfs/dbraw/zinc/59/77/86/409597786.db2.gz RUJWVSROYBBBPF-IWSPIJDZSA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@H]1C[C@@H](C)CN1C(=O)[C@@H](C)N 306869185 409597809 /nfs/dbraw/zinc/59/78/09/409597809.db2.gz RUJWVSROYBBBPF-HLTSFMKQSA-N 0 3 184.283 0.981 20 0 ACADHN CCN(CCC1CCC1)CC(N)=O 660392556 409597831 /nfs/dbraw/zinc/59/78/31/409597831.db2.gz GNGBTRSXLNVGLX-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN C[C@H](O)CCN1CCO[C@@H](C)[C@H]1C 306853727 409597928 /nfs/dbraw/zinc/59/79/28/409597928.db2.gz UEOXDZDYANOMPI-AEJSXWLSSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@H](O)CCN1CCO[C@H](C)[C@@H]1C 306853730 409598248 /nfs/dbraw/zinc/59/82/48/409598248.db2.gz UEOXDZDYANOMPI-LPEHRKFASA-N 0 3 187.283 0.867 20 0 ACADHN C[C@H](N)C(=O)NC1(C2CC2)CC1 306851083 409598345 /nfs/dbraw/zinc/59/83/45/409598345.db2.gz QCYCHMOQQBUEOW-LURJTMIESA-N 0 3 168.240 0.392 20 0 ACADHN C[C@H](O)CCN1CCO[C@H](C)[C@H]1C 306853729 409598603 /nfs/dbraw/zinc/59/86/03/409598603.db2.gz UEOXDZDYANOMPI-IVZWLZJFSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H]1C[C@H](C)CN1C(=O)[C@@H](C)N 306869184 409598958 /nfs/dbraw/zinc/59/89/58/409598958.db2.gz RUJWVSROYBBBPF-DJLDLDEBSA-N 0 3 184.283 0.981 20 0 ACADHN OC[C@@H]1COCCN1CC1CC=CC1 660418828 409601515 /nfs/dbraw/zinc/60/15/15/409601515.db2.gz DNZSQPDDHZJRDS-LLVKDONJSA-N 0 3 197.278 0.646 20 0 ACADHN C[C@@H](N)C(=O)N(C)c1nccs1 306961774 409602338 /nfs/dbraw/zinc/60/23/38/409602338.db2.gz AXUVSSWNEPPTDL-RXMQYKEDSA-N 0 3 185.252 0.453 20 0 ACADHN CC1=CCCN(CCc2cn[nH]n2)C1 660461463 409602452 /nfs/dbraw/zinc/60/24/52/409602452.db2.gz DDCJLNZRMXFMKC-UHFFFAOYSA-N 0 3 192.266 0.999 20 0 ACADHN CNCc1nc(C2(N)CCCC2)no1 306957605 409603054 /nfs/dbraw/zinc/60/30/54/409603054.db2.gz UEDBQORQEIAJHW-UHFFFAOYSA-N 0 3 196.254 0.517 20 0 ACADHN CCc1ncc(NC(=O)[C@H](C)N)cn1 307047189 409608204 /nfs/dbraw/zinc/60/82/04/409608204.db2.gz ZXGGQBNNOTXYDF-LURJTMIESA-N 0 3 194.238 0.325 20 0 ACADHN C[C@@H]1C[C@H]1CNC(=O)[C@@H]1NCC1(C)C 307044309 409608380 /nfs/dbraw/zinc/60/83/80/409608380.db2.gz TYSITRNLRQRTGO-VGMNWLOBSA-N 0 3 196.294 0.757 20 0 ACADHN CN(Cc1cn[nH]c1)C1(CO)CCC1 660614445 409608665 /nfs/dbraw/zinc/60/86/65/409608665.db2.gz LNWUULJVUFUUTB-UHFFFAOYSA-N 0 3 195.266 0.757 20 0 ACADHN C[C@@H]1C[C@@H]1CNC(=O)[C@@H]1NCC1(C)C 307044306 409608832 /nfs/dbraw/zinc/60/88/32/409608832.db2.gz TYSITRNLRQRTGO-HLTSFMKQSA-N 0 3 196.294 0.757 20 0 ACADHN C[C@@H]1C[C@H]1CNC(=O)[C@H]1NCC1(C)C 307044307 409609746 /nfs/dbraw/zinc/60/97/46/409609746.db2.gz TYSITRNLRQRTGO-HRDYMLBCSA-N 0 3 196.294 0.757 20 0 ACADHN C[C@@H]1C[C@@H]1CNC(=O)[C@H]1NCC1(C)C 307044308 409609754 /nfs/dbraw/zinc/60/97/54/409609754.db2.gz TYSITRNLRQRTGO-IWSPIJDZSA-N 0 3 196.294 0.757 20 0 ACADHN CCc1cnc(NC(=O)CNC)s1 307077437 409612334 /nfs/dbraw/zinc/61/23/34/409612334.db2.gz PMYLOJGZZMEVIG-UHFFFAOYSA-N 0 3 199.279 0.863 20 0 ACADHN C[C@@H]1[C@H](O)CCN1Cc1cn[nH]c1 660738590 409616858 /nfs/dbraw/zinc/61/68/58/409616858.db2.gz QXGCGFAHGBLJRF-VXNVDRBHSA-N 0 3 181.239 0.365 20 0 ACADHN CC[C@@H](N)C(=O)Nc1cnn(C)c1C 307100263 409617389 /nfs/dbraw/zinc/61/73/89/409617389.db2.gz GSDZGXMAYOINAL-SSDOTTSWSA-N 0 3 196.254 0.404 20 0 ACADHN CN(C)c1cc(NC(=O)CN)ccn1 307113012 409617482 /nfs/dbraw/zinc/61/74/82/409617482.db2.gz MJWFYPWGXRPTCB-UHFFFAOYSA-N 0 3 194.238 0.045 20 0 ACADHN NCc1noc(C2(CN)CCCC2)n1 307137386 409619529 /nfs/dbraw/zinc/61/95/29/409619529.db2.gz XBKMDBMFHXJSTB-UHFFFAOYSA-N 0 3 196.254 0.299 20 0 ACADHN C[C@H](N)c1nc(C2(N)CCCC2)no1 307141896 409621631 /nfs/dbraw/zinc/62/16/31/409621631.db2.gz JIWUFDOXDMPPQV-LURJTMIESA-N 0 3 196.254 0.817 20 0 ACADHN CC[C@@H](N)C(=O)Nc1ccccc1N 307158710 409623595 /nfs/dbraw/zinc/62/35/95/409623595.db2.gz ZTOWABJTUGACAL-SSDOTTSWSA-N 0 3 193.250 0.945 20 0 ACADHN C[C@@H](C(N)=O)N1C[C@@H]2CCCC[C@@H]21 660927486 409624022 /nfs/dbraw/zinc/62/40/22/409624022.db2.gz BPUASXFCCBLCST-CIUDSAMLSA-N 0 3 182.267 0.735 20 0 ACADHN CC[C@@H](N)C(=O)Nc1ccnn1CC 307202957 409626357 /nfs/dbraw/zinc/62/63/57/409626357.db2.gz GFYDMQOJHULZSE-SSDOTTSWSA-N 0 3 196.254 0.579 20 0 ACADHN CC[C@@H](O)CN(C)Cc1cnc[nH]1 661084237 409626451 /nfs/dbraw/zinc/62/64/51/409626451.db2.gz CYSBYYLUOMDLQW-SECBINFHSA-N 0 3 183.255 0.612 20 0 ACADHN OCCOCCN1C[C@@H]2CCCC[C@@H]21 660929382 409626479 /nfs/dbraw/zinc/62/64/79/409626479.db2.gz GFXNTHODYFDKBC-QWRGUYRKSA-N 0 3 199.294 0.870 20 0 ACADHN CC[C@H](N)c1nc([C@H]2CCCN2)no1 307194408 409626680 /nfs/dbraw/zinc/62/66/80/409626680.db2.gz PLUQCWHVPAFMLZ-NKWVEPMBSA-N 0 3 196.254 0.904 20 0 ACADHN CC[C@H](N)c1nc([C@@H]2CCCN2)no1 307194407 409627006 /nfs/dbraw/zinc/62/70/06/409627006.db2.gz PLUQCWHVPAFMLZ-BQBZGAKWSA-N 0 3 196.254 0.904 20 0 ACADHN CC[C@H](N)C(=O)Nc1ccc[nH]c1=O 307201071 409627087 /nfs/dbraw/zinc/62/70/87/409627087.db2.gz DTYONURUSHZPCL-LURJTMIESA-N 0 3 195.222 0.463 20 0 ACADHN CC(C)[C@@H](O)CN(C)Cc1cnc[nH]1 661090834 409628010 /nfs/dbraw/zinc/62/80/10/409628010.db2.gz SSWKAALRKFQRSA-JTQLQIEISA-N 0 3 197.282 0.858 20 0 ACADHN CC[C@H](N)C(=O)Nc1cnn(C)c1C 307269262 409628792 /nfs/dbraw/zinc/62/87/92/409628792.db2.gz GSDZGXMAYOINAL-ZETCQYMHSA-N 0 3 196.254 0.404 20 0 ACADHN COc1ccncc1NC(=O)[C@H](C)N 307259653 409630036 /nfs/dbraw/zinc/63/00/36/409630036.db2.gz KTLQCPFORWAVMX-LURJTMIESA-N 0 3 195.222 0.376 20 0 ACADHN CC(C)[C@H](O)CN(C)Cc1cnc[nH]1 661090835 409630259 /nfs/dbraw/zinc/63/02/59/409630259.db2.gz SSWKAALRKFQRSA-SNVBAGLBSA-N 0 3 197.282 0.858 20 0 ACADHN O[C@H]1CN(CC2=CCCC2)C[C@H]1O 307238960 409630576 /nfs/dbraw/zinc/63/05/76/409630576.db2.gz ZZSAYEDMHDUCGT-AOOOYVTPSA-N 0 3 183.251 0.134 20 0 ACADHN CN(Cc1cnc[nH]1)CC1(C)COC1 661085888 409631142 /nfs/dbraw/zinc/63/11/42/409631142.db2.gz RSBLPSYSQDXYEA-UHFFFAOYSA-N 0 3 195.266 0.878 20 0 ACADHN CC[C@H](O)CN(C)Cc1cnc[nH]1 661086576 409631764 /nfs/dbraw/zinc/63/17/64/409631764.db2.gz CYSBYYLUOMDLQW-VIFPVBQESA-N 0 3 183.255 0.612 20 0 ACADHN CN(Cc1cnc[nH]1)C[C@H]1C[C@@H](O)C1 661094484 409631789 /nfs/dbraw/zinc/63/17/89/409631789.db2.gz XJXQHGSYNVODTA-WAAGHKOSSA-N 0 3 195.266 0.612 20 0 ACADHN CC1(C)CN[C@@H]1C(=O)NCC(F)F 307296805 409632892 /nfs/dbraw/zinc/63/28/92/409632892.db2.gz REBUWYUYYHRYIY-ZCFIWIBFSA-N 0 3 192.209 0.366 20 0 ACADHN CC1(C)CN[C@H]1C(=O)NCC(F)F 307296803 409633474 /nfs/dbraw/zinc/63/34/74/409633474.db2.gz REBUWYUYYHRYIY-LURJTMIESA-N 0 3 192.209 0.366 20 0 ACADHN N[C@H](C(=O)N[C@H]1CCOC1)C1CCC1 307333296 409634969 /nfs/dbraw/zinc/63/49/69/409634969.db2.gz QENFAXDKUZGBMF-IUCAKERBSA-N 0 3 198.266 0.019 20 0 ACADHN C[C@H]1CCCN1C(=O)[C@@H]1NCC1(C)C 307325065 409635041 /nfs/dbraw/zinc/63/50/41/409635041.db2.gz SMGPQZMPAFHEKN-IUCAKERBSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@@H]1CCCN1C(=O)[C@H]1NCC1(C)C 307325067 409635118 /nfs/dbraw/zinc/63/51/18/409635118.db2.gz SMGPQZMPAFHEKN-RKDXNWHRSA-N 0 3 196.294 0.995 20 0 ACADHN CC1(CNC(=O)[C@@H]2NCC2(C)C)CC1 307331677 409635316 /nfs/dbraw/zinc/63/53/16/409635316.db2.gz ZQOYTNNLZNYYFH-QMMMGPOBSA-N 0 3 196.294 0.901 20 0 ACADHN CC1(CNC(=O)[C@H]2NCC2(C)C)CC1 307331676 409635448 /nfs/dbraw/zinc/63/54/48/409635448.db2.gz ZQOYTNNLZNYYFH-MRVPVSSYSA-N 0 3 196.294 0.901 20 0 ACADHN N[C@@H](C(=O)N[C@H]1CCOC1)C1CCC1 307333294 409635595 /nfs/dbraw/zinc/63/55/95/409635595.db2.gz QENFAXDKUZGBMF-DTWKUNHWSA-N 0 3 198.266 0.019 20 0 ACADHN CN(C(=O)[C@H]1NCC1(C)C)C1CCC1 307316040 409635533 /nfs/dbraw/zinc/63/55/33/409635533.db2.gz AOPJYYNHPFBIRS-SECBINFHSA-N 0 3 196.294 0.995 20 0 ACADHN CN(C(=O)[C@@H]1NCC1(C)C)C1CCC1 307316041 409635768 /nfs/dbraw/zinc/63/57/68/409635768.db2.gz AOPJYYNHPFBIRS-VIFPVBQESA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1CCCN1C(=O)[C@H]1NCC1(C)C 307325063 409635965 /nfs/dbraw/zinc/63/59/65/409635965.db2.gz SMGPQZMPAFHEKN-DTWKUNHWSA-N 0 3 196.294 0.995 20 0 ACADHN N[C@@H](C(=O)N[C@@H]1CCOC1)C1CCC1 307333297 409636021 /nfs/dbraw/zinc/63/60/21/409636021.db2.gz QENFAXDKUZGBMF-RKDXNWHRSA-N 0 3 198.266 0.019 20 0 ACADHN N[C@H](C(=O)N[C@@H]1CCOC1)C1CCC1 307333293 409636338 /nfs/dbraw/zinc/63/63/38/409636338.db2.gz QENFAXDKUZGBMF-BDAKNGLRSA-N 0 3 198.266 0.019 20 0 ACADHN C[C@@H]1CCCN1C(=O)[C@@H]1NCC1(C)C 307325061 409636414 /nfs/dbraw/zinc/63/64/14/409636414.db2.gz SMGPQZMPAFHEKN-BDAKNGLRSA-N 0 3 196.294 0.995 20 0 ACADHN CC[C@@H]1C[C@@H](C)CN1C(=O)[C@H](C)N 307349026 409638359 /nfs/dbraw/zinc/63/83/59/409638359.db2.gz RUJWVSROYBBBPF-HRDYMLBCSA-N 0 3 184.283 0.981 20 0 ACADHN CC[C@@H]1C[C@H](C)CN1C(=O)[C@H](C)N 307349028 409638395 /nfs/dbraw/zinc/63/83/95/409638395.db2.gz RUJWVSROYBBBPF-XHNCKOQMSA-N 0 3 184.283 0.981 20 0 ACADHN CCc1ncc(NC(=O)CNC)cn1 307365328 409638821 /nfs/dbraw/zinc/63/88/21/409638821.db2.gz JKNLETFKOPRZGN-UHFFFAOYSA-N 0 3 194.238 0.197 20 0 ACADHN CNCC(=O)Nc1cc(OC)ccn1 307378921 409640200 /nfs/dbraw/zinc/64/02/00/409640200.db2.gz DCCKWZKHEAKIID-UHFFFAOYSA-N 0 3 195.222 0.248 20 0 ACADHN NCC(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12 307394244 409640289 /nfs/dbraw/zinc/64/02/89/409640289.db2.gz CQDCCSPDIXTLAP-DJLDLDEBSA-N 0 3 198.266 0.019 20 0 ACADHN CC[C@@H](N)c1nc([C@H]2CCCN2)no1 307396664 409640808 /nfs/dbraw/zinc/64/08/08/409640808.db2.gz PLUQCWHVPAFMLZ-RNFRBKRXSA-N 0 3 196.254 0.904 20 0 ACADHN CC[C@@H](N)C(=O)Nc1ccc[nH]c1=O 307387703 409641206 /nfs/dbraw/zinc/64/12/06/409641206.db2.gz DTYONURUSHZPCL-ZCFIWIBFSA-N 0 3 195.222 0.463 20 0 ACADHN CC[C@H]1C[C@H](C)CN1C(=O)[C@H](C)N 307396530 409641316 /nfs/dbraw/zinc/64/13/16/409641316.db2.gz RUJWVSROYBBBPF-CIUDSAMLSA-N 0 3 184.283 0.981 20 0 ACADHN NCC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12 307394246 409641832 /nfs/dbraw/zinc/64/18/32/409641832.db2.gz CQDCCSPDIXTLAP-IWSPIJDZSA-N 0 3 198.266 0.019 20 0 ACADHN CC[C@H]1C[C@@H](C)CN1C(=O)[C@H](C)N 307396531 409642027 /nfs/dbraw/zinc/64/20/27/409642027.db2.gz RUJWVSROYBBBPF-VGMNWLOBSA-N 0 3 184.283 0.981 20 0 ACADHN NCC(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 307394247 409642572 /nfs/dbraw/zinc/64/25/72/409642572.db2.gz CQDCCSPDIXTLAP-YIZRAAEISA-N 0 3 198.266 0.019 20 0 ACADHN NCC(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 307394245 409642617 /nfs/dbraw/zinc/64/26/17/409642617.db2.gz CQDCCSPDIXTLAP-HLTSFMKQSA-N 0 3 198.266 0.019 20 0 ACADHN CC[C@@H](N)c1nc([C@@H]2CCCN2)no1 307396665 409642647 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409651297 /nfs/dbraw/zinc/65/12/97/409651297.db2.gz LLSZXQXVFQCTLD-QMMMGPOBSA-N 0 3 159.229 0.354 20 0 ACADHN CO[C@@H]1CN([C@@H]2C=CCCC2)C[C@H]1O 307490121 409651338 /nfs/dbraw/zinc/65/13/38/409651338.db2.gz ACMQAUSCIGLRSM-GMTAPVOTSA-N 0 3 197.278 0.787 20 0 ACADHN Cc1c(NC(=O)C(C)(C)N)cnn1C 307526697 409651376 /nfs/dbraw/zinc/65/13/76/409651376.db2.gz FJGRHHAWLFRIPJ-UHFFFAOYSA-N 0 3 196.254 0.404 20 0 ACADHN CC(C)(N)C(=O)Nc1c[nH]ccc1=O 307498887 409651773 /nfs/dbraw/zinc/65/17/73/409651773.db2.gz LESSXCIFFJFDBT-UHFFFAOYSA-N 0 3 195.222 0.463 20 0 ACADHN CN(CCCF)C[C@H]1COCCO1 661604114 409651777 /nfs/dbraw/zinc/65/17/77/409651777.db2.gz JUOVAPJVYKGZNK-VIFPVBQESA-N 0 3 191.246 0.693 20 0 ACADHN C[C@@H](N)C(=O)NC1(C2CC2)CC1 307513076 409651972 /nfs/dbraw/zinc/65/19/72/409651972.db2.gz QCYCHMOQQBUEOW-ZCFIWIBFSA-N 0 3 168.240 0.392 20 0 ACADHN CO[C@@H]1CN([C@H]2C=CCCC2)C[C@H]1O 307490123 409652141 /nfs/dbraw/zinc/65/21/41/409652141.db2.gz ACMQAUSCIGLRSM-HBNTYKKESA-N 0 3 197.278 0.787 20 0 ACADHN CC[C@H](N)c1nc(C2(N)CCC2)no1 307526104 409652227 /nfs/dbraw/zinc/65/22/27/409652227.db2.gz CJXJZAADDPESFD-LURJTMIESA-N 0 3 196.254 0.817 20 0 ACADHN CC1(C)CN[C@H]1C(=O)NCC1CCC1 307510289 409652431 /nfs/dbraw/zinc/65/24/31/409652431.db2.gz BNFAJSXTNYXPOI-VIFPVBQESA-N 0 3 196.294 0.901 20 0 ACADHN Cc1cc(NC(=O)[C@H]2CCN2)nn1C 307505579 409652446 /nfs/dbraw/zinc/65/24/46/409652446.db2.gz LBGSIORQNGSKFX-SSDOTTSWSA-N 0 3 194.238 0.029 20 0 ACADHN CC(C)(N)c1nc(C2(N)CCC2)no1 307504456 409652706 /nfs/dbraw/zinc/65/27/06/409652706.db2.gz KKLXSSYASYDCHQ-UHFFFAOYSA-N 0 3 196.254 0.601 20 0 ACADHN C[C@H](CN)C(=O)Nc1c[nH]ccc1=O 307548380 409654122 /nfs/dbraw/zinc/65/41/22/409654122.db2.gz MGWGGTFFXCVLIC-ZCFIWIBFSA-N 0 3 195.222 0.321 20 0 ACADHN C[C@@H](CN)C(=O)Nc1c[nH]ccc1=O 307548372 409654546 /nfs/dbraw/zinc/65/45/46/409654546.db2.gz MGWGGTFFXCVLIC-LURJTMIESA-N 0 3 195.222 0.321 20 0 ACADHN CO[C@@H]1CN(CC2=CCCC2)C[C@H]1O 307546853 409654605 /nfs/dbraw/zinc/65/46/05/409654605.db2.gz SDWFKWXOXFKPCG-GHMZBOCLSA-N 0 3 197.278 0.788 20 0 ACADHN CC(C)(N)C(=O)Nc1ccc[nH]c1=O 307608586 409657913 /nfs/dbraw/zinc/65/79/13/409657913.db2.gz CXBNHTBFHXHUML-UHFFFAOYSA-N 0 3 195.222 0.463 20 0 ACADHN C[C@@H](CF)NCC1(C)COC1 307624522 409658023 /nfs/dbraw/zinc/65/80/23/409658023.db2.gz FVRLMUIAJHNQJO-ZETCQYMHSA-N 0 3 161.220 0.971 20 0 ACADHN CNC(=O)CN1CCCC(C)(C)C1 307611700 409658076 /nfs/dbraw/zinc/65/80/76/409658076.db2.gz JFMXZYCASMCTIC-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CC(C)CNC(=O)[C@H]1NCC1(C)C 307622855 409660090 /nfs/dbraw/zinc/66/00/90/409660090.db2.gz HKZFVJUVMYPTLP-MRVPVSSYSA-N 0 3 184.283 0.757 20 0 ACADHN CC(C)CNC(=O)[C@@H]1NCC1(C)C 307622856 409660198 /nfs/dbraw/zinc/66/01/98/409660198.db2.gz HKZFVJUVMYPTLP-QMMMGPOBSA-N 0 3 184.283 0.757 20 0 ACADHN O[C@@H]1CCCN(Cc2cn[nH]c2)CC1 307630335 409661363 /nfs/dbraw/zinc/66/13/63/409661363.db2.gz NYQXTDYTPWMXAM-SNVBAGLBSA-N 0 3 195.266 0.757 20 0 ACADHN CN(C(=O)C(C)(C)N)c1cnn(C)c1 307641626 409662374 /nfs/dbraw/zinc/66/23/74/409662374.db2.gz ISMYPVHDIPMQRJ-UHFFFAOYSA-N 0 3 196.254 0.120 20 0 ACADHN O[C@H]1CCCN(Cc2cn[nH]c2)CC1 307630334 409662475 /nfs/dbraw/zinc/66/24/75/409662475.db2.gz NYQXTDYTPWMXAM-JTQLQIEISA-N 0 3 195.266 0.757 20 0 ACADHN CN(C(=O)C(C)(C)N)c1nccs1 307633318 409662596 /nfs/dbraw/zinc/66/25/96/409662596.db2.gz QZCRFQNSHUSGQF-UHFFFAOYSA-N 0 3 199.279 0.843 20 0 ACADHN CN(C(=O)[C@H]1CCN1)c1nccs1 307631040 409662794 /nfs/dbraw/zinc/66/27/94/409662794.db2.gz OKYXCWWIVJDNSO-ZCFIWIBFSA-N 0 3 197.263 0.468 20 0 ACADHN C[C@@H](O)[C@H]1CCCN1Cc1cn[nH]c1 661765073 409663001 /nfs/dbraw/zinc/66/30/01/409663001.db2.gz MJMDSKWBOIOAOQ-PSASIEDQSA-N 0 3 195.266 0.755 20 0 ACADHN C[C@H](O)[C@H]1CCCN1Cc1cn[nH]c1 661765074 409663112 /nfs/dbraw/zinc/66/31/12/409663112.db2.gz MJMDSKWBOIOAOQ-WCBMZHEXSA-N 0 3 195.266 0.755 20 0 ACADHN C[C@H](O)[C@H]1CCCN1Cc1c[nH]cn1 661765941 409663870 /nfs/dbraw/zinc/66/38/70/409663870.db2.gz RTJIKUVLDWDNGU-WCBMZHEXSA-N 0 3 195.266 0.755 20 0 ACADHN C[C@H](O)[C@H]1CCCN1Cc1cnc[nH]1 661765941 409663882 /nfs/dbraw/zinc/66/38/82/409663882.db2.gz RTJIKUVLDWDNGU-WCBMZHEXSA-N 0 3 195.266 0.755 20 0 ACADHN C[C@@H](O)[C@H]1CCCN1Cc1c[nH]cn1 661765940 409664224 /nfs/dbraw/zinc/66/42/24/409664224.db2.gz RTJIKUVLDWDNGU-PSASIEDQSA-N 0 3 195.266 0.755 20 0 ACADHN C[C@@H](O)[C@H]1CCCN1Cc1cnc[nH]1 661765940 409664227 /nfs/dbraw/zinc/66/42/27/409664227.db2.gz RTJIKUVLDWDNGU-PSASIEDQSA-N 0 3 195.266 0.755 20 0 ACADHN CN1CCN(CC2CCC2)CCC1=O 661804649 409664440 /nfs/dbraw/zinc/66/44/40/409664440.db2.gz IPQZHMMPAKAUHI-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN CN1CCN(CC2CC2)CCC1=O 661811340 409665288 /nfs/dbraw/zinc/66/52/88/409665288.db2.gz PUCNDEOOWUCJID-UHFFFAOYSA-N 0 3 182.267 0.561 20 0 ACADHN CN1CCN(CCC2CC2)CCC1=O 661807238 409667269 /nfs/dbraw/zinc/66/72/69/409667269.db2.gz SGPMBTQBYIQIJW-UHFFFAOYSA-N 0 3 196.294 0.951 20 0 ACADHN O=C1CCCC12CCN(CCO)CC2 661956073 409670047 /nfs/dbraw/zinc/67/00/47/409670047.db2.gz VNLNXCPWDYHGPL-UHFFFAOYSA-N 0 3 197.278 0.814 20 0 ACADHN CN(C)C(=O)CN1CC[C@@H]2C[C@@H]2C1 661967485 409671869 /nfs/dbraw/zinc/67/18/69/409671869.db2.gz PGQKYHMAJLCNLI-RKDXNWHRSA-N 0 3 182.267 0.416 20 0 ACADHN CNC(=O)CN1CC[C@H]2C[C@H]2C1 661968143 409671899 /nfs/dbraw/zinc/67/18/99/409671899.db2.gz UYUPYGPAMYJMLJ-YUMQZZPRSA-N 0 3 168.240 0.074 20 0 ACADHN CNC(=O)CN1CC[C@@H]2C[C@@H]2C1 661968140 409671970 /nfs/dbraw/zinc/67/19/70/409671970.db2.gz UYUPYGPAMYJMLJ-HTQZYQBOSA-N 0 3 168.240 0.074 20 0 ACADHN CN(C)C(=O)CN1CC[C@H]2C[C@H]2C1 661967484 409672147 /nfs/dbraw/zinc/67/21/47/409672147.db2.gz PGQKYHMAJLCNLI-IUCAKERBSA-N 0 3 182.267 0.416 20 0 ACADHN Cn1nncc1CN1CC[C@H]2C[C@H]2C1 661966871 409672512 /nfs/dbraw/zinc/67/25/12/409672512.db2.gz MMNOKJAITQOHCV-IUCAKERBSA-N 0 3 192.266 0.657 20 0 ACADHN CCc1cc(NC(CO)CO)ccn1 307796982 409672963 /nfs/dbraw/zinc/67/29/63/409672963.db2.gz XXPMTVHCCYXIKV-UHFFFAOYSA-N 0 3 196.250 0.409 20 0 ACADHN Cn1nncc1CN1CC[C@@H]2C[C@@H]2C1 661966873 409673404 /nfs/dbraw/zinc/67/34/04/409673404.db2.gz MMNOKJAITQOHCV-RKDXNWHRSA-N 0 3 192.266 0.657 20 0 ACADHN Cn1cc(CN2CC[C@@H]3C[C@@H]3C2)nn1 661971757 409676058 /nfs/dbraw/zinc/67/60/58/409676058.db2.gz OENQUEGHHLIYFE-RKDXNWHRSA-N 0 3 192.266 0.657 20 0 ACADHN Cn1cc(CN2CC[C@H]3C[C@H]3C2)nn1 661971755 409676709 /nfs/dbraw/zinc/67/67/09/409676709.db2.gz OENQUEGHHLIYFE-IUCAKERBSA-N 0 3 192.266 0.657 20 0 ACADHN C[C@H](O)CN(C)Cc1cnc[nH]1 307943991 409677009 /nfs/dbraw/zinc/67/70/09/409677009.db2.gz GIBVWOBENHRVIF-ZETCQYMHSA-N 0 3 169.228 0.222 20 0 ACADHN O=C(CN1CC[C@H]2C[C@H]2C1)N1CCC1 661974888 409677667 /nfs/dbraw/zinc/67/76/67/409677667.db2.gz QCKNLYLAERVNBK-UWVGGRQHSA-N 0 3 194.278 0.561 20 0 ACADHN CCN(C)C(=O)CN1CC[C@@H]2C[C@@H]2C1 661973728 409677679 /nfs/dbraw/zinc/67/76/79/409677679.db2.gz OFUIJRMQVICYNO-NXEZZACHSA-N 0 3 196.294 0.807 20 0 ACADHN CCNC(=O)CN1CC[C@@H]2C[C@@H]2C1 661979919 409677746 /nfs/dbraw/zinc/67/77/46/409677746.db2.gz WWAWJYNUIOMEDW-RKDXNWHRSA-N 0 3 182.267 0.464 20 0 ACADHN CC[C@H](C(N)=O)N1CC[C@H]2C[C@H]2C1 661977456 409677864 /nfs/dbraw/zinc/67/78/64/409677864.db2.gz YXQWPJUVQVVVRG-XHNCKOQMSA-N 0 3 182.267 0.592 20 0 ACADHN CCNC(=O)CN1CC[C@H]2C[C@H]2C1 661979918 409678096 /nfs/dbraw/zinc/67/80/96/409678096.db2.gz WWAWJYNUIOMEDW-IUCAKERBSA-N 0 3 182.267 0.464 20 0 ACADHN C[C@@H](O)CN(C)Cc1cnc[nH]1 307943990 409678098 /nfs/dbraw/zinc/67/80/98/409678098.db2.gz GIBVWOBENHRVIF-SSDOTTSWSA-N 0 3 169.228 0.222 20 0 ACADHN C[C@H](C(=O)N(C)C)N1CC[C@H]2C[C@H]2C1 661974072 409678440 /nfs/dbraw/zinc/67/84/40/409678440.db2.gz HTQFEQLGACVQFF-UTLUCORTSA-N 0 3 196.294 0.805 20 0 ACADHN C[C@H](C(=O)N(C)C)N1CC[C@@H]2C[C@@H]2C1 661974071 409678469 /nfs/dbraw/zinc/67/84/69/409678469.db2.gz HTQFEQLGACVQFF-OPRDCNLKSA-N 0 3 196.294 0.805 20 0 ACADHN CN1CC[C@H](N2CC[C@H]3C[C@H]3C2)C1=O 661973359 409678490 /nfs/dbraw/zinc/67/84/90/409678490.db2.gz LNDHRSWRAFPULI-GUBZILKMSA-N 0 3 194.278 0.559 20 0 ACADHN CCN(C)C(=O)CN1CC[C@H]2C[C@H]2C1 661973733 409678562 /nfs/dbraw/zinc/67/85/62/409678562.db2.gz OFUIJRMQVICYNO-UWVGGRQHSA-N 0 3 196.294 0.807 20 0 ACADHN CN1CC[C@H](N2CC[C@@H]3C[C@@H]3C2)C1=O 661973357 409678851 /nfs/dbraw/zinc/67/88/51/409678851.db2.gz LNDHRSWRAFPULI-BBBLOLIVSA-N 0 3 194.278 0.559 20 0 ACADHN CC[C@H](C(N)=O)N1CC[C@@H]2C[C@@H]2C1 661977455 409678974 /nfs/dbraw/zinc/67/89/74/409678974.db2.gz YXQWPJUVQVVVRG-IWSPIJDZSA-N 0 3 182.267 0.592 20 0 ACADHN CC(C)NC(=O)CN1CC[C@@H]2C[C@@H]2C1 661972989 409679278 /nfs/dbraw/zinc/67/92/78/409679278.db2.gz GDEZFZZMYFCNRI-NXEZZACHSA-N 0 3 196.294 0.853 20 0 ACADHN O=C(CN1CC[C@H]2C[C@H]2C1)NC1CC1 661978670 409679354 /nfs/dbraw/zinc/67/93/54/409679354.db2.gz QHWQWNLMYQUKIH-IUCAKERBSA-N 0 3 194.278 0.607 20 0 ACADHN O=C(CN1CC[C@@H]2C[C@@H]2C1)NC1CC1 661978671 409679542 /nfs/dbraw/zinc/67/95/42/409679542.db2.gz QHWQWNLMYQUKIH-RKDXNWHRSA-N 0 3 194.278 0.607 20 0 ACADHN CC(C)NC(=O)CN1CC[C@H]2C[C@H]2C1 661972994 409679560 /nfs/dbraw/zinc/67/95/60/409679560.db2.gz GDEZFZZMYFCNRI-UWVGGRQHSA-N 0 3 196.294 0.853 20 0 ACADHN O=C(CN1CC[C@@H]2C[C@@H]2C1)N1CCC1 661974887 409679586 /nfs/dbraw/zinc/67/95/86/409679586.db2.gz QCKNLYLAERVNBK-NXEZZACHSA-N 0 3 194.278 0.561 20 0 ACADHN CNCC(=O)N(C)CCC1CC1 308097018 409683638 /nfs/dbraw/zinc/68/36/38/409683638.db2.gz ZSUMSTJUBMRSCM-UHFFFAOYSA-N 0 3 170.256 0.464 20 0 ACADHN N[C@H](CC(F)F)C(=O)N1CCCC1 308131856 409683650 /nfs/dbraw/zinc/68/36/50/409683650.db2.gz FFWXMOARHQLMGG-ZCFIWIBFSA-N 0 3 192.209 0.591 20 0 ACADHN N[C@@H](CC(F)F)C(=O)N1CCCC1 308131855 409683673 /nfs/dbraw/zinc/68/36/73/409683673.db2.gz FFWXMOARHQLMGG-LURJTMIESA-N 0 3 192.209 0.591 20 0 ACADHN CC(C)NC(=O)[C@@H](N)CC(F)F 308130512 409684034 /nfs/dbraw/zinc/68/40/34/409684034.db2.gz XCPSWJUAMFHULK-YFKPBYRVSA-N 0 3 180.198 0.494 20 0 ACADHN CC(C)NC(=O)[C@H](N)CC(F)F 308130511 409684158 /nfs/dbraw/zinc/68/41/58/409684158.db2.gz XCPSWJUAMFHULK-RXMQYKEDSA-N 0 3 180.198 0.494 20 0 ACADHN C[C@@H](N)C(=O)N(C)CCC1CC1 308083823 409684280 /nfs/dbraw/zinc/68/42/80/409684280.db2.gz LROVBITYSAWKRT-SSDOTTSWSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@H](N)C(=O)N(C)CCC1CC1 308083824 409685142 /nfs/dbraw/zinc/68/51/42/409685142.db2.gz LROVBITYSAWKRT-ZETCQYMHSA-N 0 3 170.256 0.592 20 0 ACADHN CC(C)CC1(NCC(N)=O)CC1 662071887 409685308 /nfs/dbraw/zinc/68/53/08/409685308.db2.gz XKYHOWNLTHZIJD-UHFFFAOYSA-N 0 3 170.256 0.640 20 0 ACADHN CNC(=O)CNC1(CC(C)C)CC1 662066249 409686134 /nfs/dbraw/zinc/68/61/34/409686134.db2.gz GXEZIESPWOLRRE-UHFFFAOYSA-N 0 3 184.283 0.901 20 0 ACADHN COC[C@H](C)NC1COCCOC1 308158055 409686387 /nfs/dbraw/zinc/68/63/87/409686387.db2.gz VDCNJWAKUWPYJR-QMMMGPOBSA-N 0 3 189.255 0.026 20 0 ACADHN CC(C)(C)NC(=O)[C@H](N)CC(F)F 308151206 409687418 /nfs/dbraw/zinc/68/74/18/409687418.db2.gz QXXIIJBFTDRTIN-RXMQYKEDSA-N 0 3 194.225 0.884 20 0 ACADHN N[C@H](CC(F)F)C(=O)NCC1CC1 308154734 409688158 /nfs/dbraw/zinc/68/81/58/409688158.db2.gz SPFLWIYURCCVBO-ZCFIWIBFSA-N 0 3 192.209 0.495 20 0 ACADHN N[C@H](CC(F)F)C(=O)NC1CCC1 308155656 409688178 /nfs/dbraw/zinc/68/81/78/409688178.db2.gz TVQMXBMPWJLWER-ZCFIWIBFSA-N 0 3 192.209 0.638 20 0 ACADHN CN(C(=O)[C@@H](N)CC(F)F)C1CC1 308154219 409688438 /nfs/dbraw/zinc/68/84/38/409688438.db2.gz SIEDYYPLXXHVNO-LURJTMIESA-N 0 3 192.209 0.590 20 0 ACADHN CCCN(CCCF)CC(N)=O 308158379 409688555 /nfs/dbraw/zinc/68/85/55/409688555.db2.gz PZNOVPAQILQJAX-UHFFFAOYSA-N 0 3 176.235 0.543 20 0 ACADHN N[C@@H](CC(F)F)C(=O)NC1CCC1 308155655 409688620 /nfs/dbraw/zinc/68/86/20/409688620.db2.gz TVQMXBMPWJLWER-LURJTMIESA-N 0 3 192.209 0.638 20 0 ACADHN N[C@@H](CC(F)F)C(=O)NCC1CC1 308154733 409688745 /nfs/dbraw/zinc/68/87/45/409688745.db2.gz SPFLWIYURCCVBO-LURJTMIESA-N 0 3 192.209 0.495 20 0 ACADHN CCCNC(=O)[C@H](N)CC(F)F 308135383 409688868 /nfs/dbraw/zinc/68/88/68/409688868.db2.gz ZOCUPGFUPAUXBU-RXMQYKEDSA-N 0 3 180.198 0.495 20 0 ACADHN CC(C)(C)NC(=O)[C@@H](N)CC(F)F 308151207 409689288 /nfs/dbraw/zinc/68/92/88/409689288.db2.gz QXXIIJBFTDRTIN-YFKPBYRVSA-N 0 3 194.225 0.884 20 0 ACADHN CN(C(=O)[C@H](N)CC(F)F)C1CC1 308154221 409689551 /nfs/dbraw/zinc/68/95/51/409689551.db2.gz SIEDYYPLXXHVNO-ZCFIWIBFSA-N 0 3 192.209 0.590 20 0 ACADHN CCCNC(=O)[C@@H](N)CC(F)F 308135384 409689819 /nfs/dbraw/zinc/68/98/19/409689819.db2.gz ZOCUPGFUPAUXBU-YFKPBYRVSA-N 0 3 180.198 0.495 20 0 ACADHN CC[C@@H](C)NC(=O)[C@@H](N)CC(F)F 308163119 409690885 /nfs/dbraw/zinc/69/08/85/409690885.db2.gz XWSODZSELDUYJF-RITPCOANSA-N 0 3 194.225 0.884 20 0 ACADHN CCCN(CC(N)=O)C[C@H]1C[C@@H]1C 308170933 409691058 /nfs/dbraw/zinc/69/10/58/409691058.db2.gz BHOUQKFMVLNACE-DTWKUNHWSA-N 0 3 184.283 0.840 20 0 ACADHN NC(=O)CN(C1CCC1)C1CCC1 308174311 409691360 /nfs/dbraw/zinc/69/13/60/409691360.db2.gz GPUOIWIFUUFNRQ-UHFFFAOYSA-N 0 3 182.267 0.879 20 0 ACADHN CC[C@H](C)NC(=O)[C@H](N)CC(F)F 308163117 409692065 /nfs/dbraw/zinc/69/20/65/409692065.db2.gz XWSODZSELDUYJF-NTSWFWBYSA-N 0 3 194.225 0.884 20 0 ACADHN CCCN(CC(N)=O)C[C@@H]1C[C@@H]1C 308170934 409692144 /nfs/dbraw/zinc/69/21/44/409692144.db2.gz BHOUQKFMVLNACE-IUCAKERBSA-N 0 3 184.283 0.840 20 0 ACADHN CCCN(CC(N)=O)C[C@H]1C[C@H]1C 308170935 409692299 /nfs/dbraw/zinc/69/22/99/409692299.db2.gz BHOUQKFMVLNACE-RKDXNWHRSA-N 0 3 184.283 0.840 20 0 ACADHN CCCN(CC(N)=O)C[C@@H]1C[C@H]1C 308170932 409692721 /nfs/dbraw/zinc/69/27/21/409692721.db2.gz BHOUQKFMVLNACE-BDAKNGLRSA-N 0 3 184.283 0.840 20 0 ACADHN CC[C@@H](C)NC(=O)[C@H](N)CC(F)F 308163118 409693624 /nfs/dbraw/zinc/69/36/24/409693624.db2.gz XWSODZSELDUYJF-PHDIDXHHSA-N 0 3 194.225 0.884 20 0 ACADHN CC[C@H](C)NC(=O)[C@@H](N)CC(F)F 308163120 409693691 /nfs/dbraw/zinc/69/36/91/409693691.db2.gz XWSODZSELDUYJF-WDSKDSINSA-N 0 3 194.225 0.884 20 0 ACADHN CC(C)N(C)CC(=O)N[C@@H](C)CF 308162714 409694087 /nfs/dbraw/zinc/69/40/87/409694087.db2.gz WAZKLKBGSGOXAP-QMMMGPOBSA-N 0 3 190.262 0.801 20 0 ACADHN CCCCNC(=O)[C@@H](N)CC(F)F 308206971 409696353 /nfs/dbraw/zinc/69/63/53/409696353.db2.gz IPXKPOKHMZIVOL-LURJTMIESA-N 0 3 194.225 0.885 20 0 ACADHN C[C@H](O)CCN[C@@H](C)c1cn[nH]c1 308193105 409696576 /nfs/dbraw/zinc/69/65/76/409696576.db2.gz OXIAWUMIYAWKCB-YUMQZZPRSA-N 0 3 183.255 0.831 20 0 ACADHN C[C@H](O)CCN[C@H](C)c1cn[nH]c1 308193103 409697036 /nfs/dbraw/zinc/69/70/36/409697036.db2.gz OXIAWUMIYAWKCB-JGVFFNPUSA-N 0 3 183.255 0.831 20 0 ACADHN CNCC(=O)NC1(C2CC2)CC1 308197064 409697097 /nfs/dbraw/zinc/69/70/97/409697097.db2.gz TZQIFXGXDAEANQ-UHFFFAOYSA-N 0 3 168.240 0.265 20 0 ACADHN CCCCNC(=O)[C@H](N)CC(F)F 308206972 409697223 /nfs/dbraw/zinc/69/72/23/409697223.db2.gz IPXKPOKHMZIVOL-ZCFIWIBFSA-N 0 3 194.225 0.885 20 0 ACADHN C[C@H](O)CN(C)CC1=CCCOC1 308221615 409698677 /nfs/dbraw/zinc/69/86/77/409698677.db2.gz CJGJWORFBGXMEG-VIFPVBQESA-N 0 3 185.267 0.646 20 0 ACADHN CC(C)N(C)C(=O)[C@H](N)CC(F)F 308230399 409698721 /nfs/dbraw/zinc/69/87/21/409698721.db2.gz SLKZJCZFTBFKNR-ZCFIWIBFSA-N 0 3 194.225 0.836 20 0 ACADHN CCN(C[C@H](C)OC)[C@H](C)C(N)=O 308230396 409699192 /nfs/dbraw/zinc/69/91/92/409699192.db2.gz OOFOIJBMMRNTNT-JGVFFNPUSA-N 0 3 188.271 0.217 20 0 ACADHN C[C@@H](O)CN(C)CC1=CCCOC1 308221613 409699448 /nfs/dbraw/zinc/69/94/48/409699448.db2.gz CJGJWORFBGXMEG-SECBINFHSA-N 0 3 185.267 0.646 20 0 ACADHN CCN(C[C@H](C)OC)[C@@H](C)C(N)=O 308230400 409699637 /nfs/dbraw/zinc/69/96/37/409699637.db2.gz OOFOIJBMMRNTNT-YUMQZZPRSA-N 0 3 188.271 0.217 20 0 ACADHN CCN(C[C@@H](C)OC)[C@H](C)C(N)=O 308230395 409699947 /nfs/dbraw/zinc/69/99/47/409699947.db2.gz OOFOIJBMMRNTNT-HTQZYQBOSA-N 0 3 188.271 0.217 20 0 ACADHN CCN(C[C@@H](C)OC)[C@@H](C)C(N)=O 308230398 409700131 /nfs/dbraw/zinc/70/01/31/409700131.db2.gz OOFOIJBMMRNTNT-SFYZADRCSA-N 0 3 188.271 0.217 20 0 ACADHN CC[C@@H](N)C(=O)N(C)CCC1CC1 308225969 409700244 /nfs/dbraw/zinc/70/02/44/409700244.db2.gz MYVVXZMIZFGXDM-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN CC(C)N(C)C(=O)[C@@H](N)CC(F)F 308230394 409701046 /nfs/dbraw/zinc/70/10/46/409701046.db2.gz SLKZJCZFTBFKNR-LURJTMIESA-N 0 3 194.225 0.836 20 0 ACADHN C[C@@H](CNC(=O)NCCF)N(C)C 308251490 409704065 /nfs/dbraw/zinc/70/40/65/409704065.db2.gz HOPDMMDSXRBTFK-ZETCQYMHSA-N 0 3 191.250 0.205 20 0 ACADHN C[C@@H](O)CN(C)CC1=CCSC1 662266349 409704763 /nfs/dbraw/zinc/70/47/63/409704763.db2.gz HQEQKFROVYUUGF-MRVPVSSYSA-N 0 3 187.308 0.972 20 0 ACADHN CN(CCO)CC1=CCSC1 662268980 409705745 /nfs/dbraw/zinc/70/57/45/409705745.db2.gz RXGIBACJOSIBBV-UHFFFAOYSA-N 0 3 173.281 0.584 20 0 ACADHN C[C@H](O)CN(C)CC1=CCSC1 662266350 409706518 /nfs/dbraw/zinc/70/65/18/409706518.db2.gz HQEQKFROVYUUGF-QMMMGPOBSA-N 0 3 187.308 0.972 20 0 ACADHN CN(CCCO)CC1=CCSC1 662269046 409707380 /nfs/dbraw/zinc/70/73/80/409707380.db2.gz VTSGPTXPYVYPCA-UHFFFAOYSA-N 0 3 187.308 0.974 20 0 ACADHN CCN(Cc1cn[nH]c1)[C@H](C)CO 308295948 409708000 /nfs/dbraw/zinc/70/80/00/409708000.db2.gz VHIKDZGQLUYZQW-MRVPVSSYSA-N 0 3 183.255 0.612 20 0 ACADHN N[C@@H]1CN(Cc2ccno2)CC[C@H]1F 662325625 409713693 /nfs/dbraw/zinc/71/36/93/409713693.db2.gz OECDGNBSMOPCAG-RKDXNWHRSA-N 0 3 199.229 0.546 20 0 ACADHN CC(C)(O)CN1CC[C@@H](F)[C@H](N)C1 662323202 409713926 /nfs/dbraw/zinc/71/39/26/409713926.db2.gz MNJHSHHIYBQFDR-HTQZYQBOSA-N 0 3 190.262 0.128 20 0 ACADHN CC[C@@H](C(=O)N[C@@H](C)CF)N(C)C 308371444 409714139 /nfs/dbraw/zinc/71/41/39/409714139.db2.gz QJRQUPOARAVQPK-YUMQZZPRSA-N 0 3 190.262 0.801 20 0 ACADHN N[C@@H]1CN(CCCF)CC[C@H]1F 662325451 409714369 /nfs/dbraw/zinc/71/43/69/409714369.db2.gz GJVAZBBSAKVLFV-HTQZYQBOSA-N 0 3 178.226 0.717 20 0 ACADHN C[C@@H](O)CN(C)Cc1cccn1C 308384867 409714607 /nfs/dbraw/zinc/71/46/07/409714607.db2.gz SWSKDOMGVQQYTA-SECBINFHSA-N 0 3 182.267 0.838 20 0 ACADHN CC[C@H](C(=O)N[C@@H](C)CF)N(C)C 308371428 409715039 /nfs/dbraw/zinc/71/50/39/409715039.db2.gz QJRQUPOARAVQPK-JGVFFNPUSA-N 0 3 190.262 0.801 20 0 ACADHN CCCN(C)CC(=O)N[C@@H](C)CF 308360148 409715518 /nfs/dbraw/zinc/71/55/18/409715518.db2.gz LXIZIFBYRAJSGV-QMMMGPOBSA-N 0 3 190.262 0.802 20 0 ACADHN C[C@H]1CC[C@@H](CN(C)C[C@@H](C)O)O1 308381855 409715546 /nfs/dbraw/zinc/71/55/46/409715546.db2.gz QVYJMZDJSIPSOL-UTLUCORTSA-N 0 3 187.283 0.867 20 0 ACADHN C[C@@H](O)CN(C)C[C@H]1CC[C@@H](C)O1 308381854 409716352 /nfs/dbraw/zinc/71/63/52/409716352.db2.gz QVYJMZDJSIPSOL-OPRDCNLKSA-N 0 3 187.283 0.867 20 0 ACADHN N[C@@H]1CN(Cc2ccon2)CC[C@H]1F 662322151 409716393 /nfs/dbraw/zinc/71/63/93/409716393.db2.gz KJSXEYOFJNXGIP-RKDXNWHRSA-N 0 3 199.229 0.546 20 0 ACADHN C[C@H]1CC[C@H](CN(C)C[C@@H](C)O)O1 308381852 409716608 /nfs/dbraw/zinc/71/66/08/409716608.db2.gz QVYJMZDJSIPSOL-KXUCPTDWSA-N 0 3 187.283 0.867 20 0 ACADHN CC(C)N1CC[C@@H](F)[C@H](N)C1 662324627 409716678 /nfs/dbraw/zinc/71/66/78/409716678.db2.gz ZLRYXVWFVYGOKR-HTQZYQBOSA-N 0 3 160.236 0.766 20 0 ACADHN COC[C@H](C)N1CC[C@@H](F)[C@H](N)C1 662325388 409716937 /nfs/dbraw/zinc/71/69/37/409716937.db2.gz MNKHGYKYCDAZHJ-DJLDLDEBSA-N 0 3 190.262 0.392 20 0 ACADHN COC[C@@H](C)N1CC[C@@H](F)[C@H](N)C1 662325588 409717596 /nfs/dbraw/zinc/71/75/96/409717596.db2.gz MNKHGYKYCDAZHJ-IWSPIJDZSA-N 0 3 190.262 0.392 20 0 ACADHN CCCN(CCCCF)CC(N)=O 308407536 409719262 /nfs/dbraw/zinc/71/92/62/409719262.db2.gz MQJRHWQRUVMSQH-UHFFFAOYSA-N 0 3 190.262 0.933 20 0 ACADHN CNC(=O)CN(C)C[C@H]1CC1(C)C 662342619 409719802 /nfs/dbraw/zinc/71/98/02/409719802.db2.gz BFLQLNKVMLBFLW-MRVPVSSYSA-N 0 3 184.283 0.710 20 0 ACADHN CN(CCC1CC1)C(=O)C(C)(C)N 308396609 409719878 /nfs/dbraw/zinc/71/98/78/409719878.db2.gz FBTKHPMQVOWZTQ-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN CNC(=O)CN(C)C[C@@H]1CC1(C)C 662342621 409721515 /nfs/dbraw/zinc/72/15/15/409721515.db2.gz BFLQLNKVMLBFLW-QMMMGPOBSA-N 0 3 184.283 0.710 20 0 ACADHN CN(CC(N)=O)C[C@H]1CC1(C)C 662346745 409722483 /nfs/dbraw/zinc/72/24/83/409722483.db2.gz DGTUUWHTUBRYHL-SSDOTTSWSA-N 0 3 170.256 0.450 20 0 ACADHN C[C@@H](C(N)=O)N(C)C[C@H]1CC1(C)C 662345751 409722714 /nfs/dbraw/zinc/72/27/14/409722714.db2.gz LPSIHZNINJVBDF-JGVFFNPUSA-N 0 3 184.283 0.838 20 0 ACADHN CC[C@@H](NC)C(=O)Nc1ccn(C)n1 662356064 409722748 /nfs/dbraw/zinc/72/27/48/409722748.db2.gz KYUFETQYINRWTM-SSDOTTSWSA-N 0 3 196.254 0.357 20 0 ACADHN CC[C@H](NC)C(=O)Nc1ccn(C)n1 662356066 409722782 /nfs/dbraw/zinc/72/27/82/409722782.db2.gz KYUFETQYINRWTM-ZETCQYMHSA-N 0 3 196.254 0.357 20 0 ACADHN C[C@H](C(N)=O)N(C)C[C@H]1CC1(C)C 662345749 409723013 /nfs/dbraw/zinc/72/30/13/409723013.db2.gz LPSIHZNINJVBDF-HTQZYQBOSA-N 0 3 184.283 0.838 20 0 ACADHN CC[C@H](NC)C(=O)Nc1ccncc1 662356639 409723276 /nfs/dbraw/zinc/72/32/76/409723276.db2.gz QKXHVFSVXKGLLI-VIFPVBQESA-N 0 3 193.250 0.440 20 0 ACADHN COc1ccncc1CNC[C@@H](C)O 308448212 409723375 /nfs/dbraw/zinc/72/33/75/409723375.db2.gz AFZUZKXVKYIVLY-MRVPVSSYSA-N 0 3 196.250 0.561 20 0 ACADHN CC[C@@H](NC)C(=O)Nc1ccncc1 662356638 409723378 /nfs/dbraw/zinc/72/33/78/409723378.db2.gz QKXHVFSVXKGLLI-SECBINFHSA-N 0 3 193.250 0.440 20 0 ACADHN CC[C@H](NC)C(=O)Nc1cn[nH]c1 662380422 409723676 /nfs/dbraw/zinc/72/36/76/409723676.db2.gz XPHKTYRGSFKPBK-ZETCQYMHSA-N 0 3 182.227 0.346 20 0 ACADHN CN(CC(N)=O)C[C@@H]1CC1(C)C 662346746 409723724 /nfs/dbraw/zinc/72/37/24/409723724.db2.gz DGTUUWHTUBRYHL-ZETCQYMHSA-N 0 3 170.256 0.450 20 0 ACADHN CC[C@@H](NC)C(=O)Nc1cn[nH]c1 662380421 409723751 /nfs/dbraw/zinc/72/37/51/409723751.db2.gz XPHKTYRGSFKPBK-SSDOTTSWSA-N 0 3 182.227 0.346 20 0 ACADHN C[C@H](C(N)=O)N(C)C[C@@H]1CC1(C)C 662345752 409723836 /nfs/dbraw/zinc/72/38/36/409723836.db2.gz LPSIHZNINJVBDF-SFYZADRCSA-N 0 3 184.283 0.838 20 0 ACADHN COc1ccncc1CNC[C@H](C)O 308448214 409724624 /nfs/dbraw/zinc/72/46/24/409724624.db2.gz AFZUZKXVKYIVLY-QMMMGPOBSA-N 0 3 196.250 0.561 20 0 ACADHN C[C@@H](C(N)=O)N(C)C[C@@H]1CC1(C)C 662345753 409724729 /nfs/dbraw/zinc/72/47/29/409724729.db2.gz LPSIHZNINJVBDF-YUMQZZPRSA-N 0 3 184.283 0.838 20 0 ACADHN CC[C@@H](NC)C(=O)Nc1cnn(C)c1 662384056 409727253 /nfs/dbraw/zinc/72/72/53/409727253.db2.gz SBINYNPVUURJCD-MRVPVSSYSA-N 0 3 196.254 0.357 20 0 ACADHN CC[C@H](NC)C(=O)Nc1cnn(C)c1 662384057 409729033 /nfs/dbraw/zinc/72/90/33/409729033.db2.gz SBINYNPVUURJCD-QMMMGPOBSA-N 0 3 196.254 0.357 20 0 ACADHN CC[C@H](NC)C(=O)Nc1cc[nH]n1 662408185 409730569 /nfs/dbraw/zinc/73/05/69/409730569.db2.gz NEOHXDXPEGHONG-LURJTMIESA-N 0 3 182.227 0.346 20 0 ACADHN CC[C@@H](NC)C(=O)Nc1cc(C)[nH]n1 662391276 409730969 /nfs/dbraw/zinc/73/09/69/409730969.db2.gz WKMXOKQGFVVYGE-SSDOTTSWSA-N 0 3 196.254 0.655 20 0 ACADHN CC[C@@H](NC)C(=O)Nc1cc[nH]n1 662408186 409731691 /nfs/dbraw/zinc/73/16/91/409731691.db2.gz NEOHXDXPEGHONG-ZCFIWIBFSA-N 0 3 182.227 0.346 20 0 ACADHN CC[C@H](NC)C(=O)Nc1cc(C)[nH]n1 662391278 409731788 /nfs/dbraw/zinc/73/17/88/409731788.db2.gz WKMXOKQGFVVYGE-ZETCQYMHSA-N 0 3 196.254 0.655 20 0 ACADHN O=C(CCCF)N1CCCNCC1 662395216 409732062 /nfs/dbraw/zinc/73/20/62/409732062.db2.gz CTSJEUKEKWMIRZ-UHFFFAOYSA-N 0 3 188.246 0.558 20 0 ACADHN CC[C@@H](NC)C(=O)Nc1ccnn1C 662441968 409736909 /nfs/dbraw/zinc/73/69/09/409736909.db2.gz FYAJFWFUTZZADT-SSDOTTSWSA-N 0 3 196.254 0.357 20 0 ACADHN CO[C@H](C)CN(C(=O)CN)C(C)C 308581585 409737177 /nfs/dbraw/zinc/73/71/77/409737177.db2.gz PJHQQQLREQMQME-MRVPVSSYSA-N 0 3 188.271 0.217 20 0 ACADHN CO[C@@H](C)CN(C(=O)CN)C(C)C 308581587 409737211 /nfs/dbraw/zinc/73/72/11/409737211.db2.gz PJHQQQLREQMQME-QMMMGPOBSA-N 0 3 188.271 0.217 20 0 ACADHN CC[C@H](NC)C(=O)Nc1ccnn1C 662441969 409738224 /nfs/dbraw/zinc/73/82/24/409738224.db2.gz FYAJFWFUTZZADT-ZETCQYMHSA-N 0 3 196.254 0.357 20 0 ACADHN CC[C@H](N)C(=O)NC1(C2CC2)CC1 308598467 409739030 /nfs/dbraw/zinc/73/90/30/409739030.db2.gz AEVOKRVZNMVODV-QMMMGPOBSA-N 0 3 182.267 0.783 20 0 ACADHN CC[C@@H](N)C(=O)NC1(C2CC2)CC1 308598464 409739367 /nfs/dbraw/zinc/73/93/67/409739367.db2.gz AEVOKRVZNMVODV-MRVPVSSYSA-N 0 3 182.267 0.783 20 0 ACADHN CN(C)CC(C)(C)NC(=O)C1CC1 308617318 409739866 /nfs/dbraw/zinc/73/98/66/409739866.db2.gz IUELDELRCVHVLS-UHFFFAOYSA-N 0 3 184.283 0.853 20 0 ACADHN CN[C@@H](C)C(=O)N1[C@H](C)CC[C@H]1C 662497197 409740116 /nfs/dbraw/zinc/74/01/16/409740116.db2.gz GANDUZJRJLZJLC-HLTSFMKQSA-N 0 3 184.283 0.994 20 0 ACADHN CCC(=O)NC(C)(C)CN(C)C 308615062 409740268 /nfs/dbraw/zinc/74/02/68/409740268.db2.gz CKXVDBNHYNPCLW-UHFFFAOYSA-N 0 3 172.272 0.853 20 0 ACADHN CC[C@H](NC)C(=O)Nc1cncnc1 662529601 409740269 /nfs/dbraw/zinc/74/02/69/409740269.db2.gz DLPIODALQMJIFF-QMMMGPOBSA-N 0 3 194.238 0.413 20 0 ACADHN CC[C@H](NC)C(=O)Nc1nc(C)c[nH]1 662500530 409740647 /nfs/dbraw/zinc/74/06/47/409740647.db2.gz MVTBOZXVRBTPFY-ZETCQYMHSA-N 0 3 196.254 0.655 20 0 ACADHN Cc1c[nH]c(NC(=O)CNC(C)C)n1 662499917 409740701 /nfs/dbraw/zinc/74/07/01/409740701.db2.gz AGZDTKQFINTEMH-UHFFFAOYSA-N 0 3 196.254 0.655 20 0 ACADHN CN[C@@H](C)C(=O)N1[C@@H](C)CC[C@@H]1C 662497196 409741087 /nfs/dbraw/zinc/74/10/87/409741087.db2.gz GANDUZJRJLZJLC-CIUDSAMLSA-N 0 3 184.283 0.994 20 0 ACADHN CC[C@@H](NC)C(=O)Nc1nc(C)c[nH]1 662500529 409741260 /nfs/dbraw/zinc/74/12/60/409741260.db2.gz MVTBOZXVRBTPFY-SSDOTTSWSA-N 0 3 196.254 0.655 20 0 ACADHN CCN(CCC(F)(F)F)C(=O)CN 308595836 409741346 /nfs/dbraw/zinc/74/13/46/409741346.db2.gz YQLSGMWIFAJAKG-UHFFFAOYSA-N 0 3 198.188 0.746 20 0 ACADHN CC[C@@H](NC)C(=O)Nc1cncnc1 662529600 409741533 /nfs/dbraw/zinc/74/15/33/409741533.db2.gz DLPIODALQMJIFF-MRVPVSSYSA-N 0 3 194.238 0.413 20 0 ACADHN Cc1nc(CN[C@H](CO)C(C)C)n[nH]1 308648123 409743336 /nfs/dbraw/zinc/74/33/36/409743336.db2.gz IUIVFKHEVKOUII-MRVPVSSYSA-N 0 3 198.270 0.220 20 0 ACADHN CC[C@H](NC)C(=O)N1CCCCN1 662580212 409745671 /nfs/dbraw/zinc/74/56/71/409745671.db2.gz CVPVLZOKQHAHSX-QMMMGPOBSA-N 0 3 185.271 0.111 20 0 ACADHN CC(C)NCC(=O)N1CCCCN1 662580507 409745756 /nfs/dbraw/zinc/74/57/56/409745756.db2.gz IPXKACPUYWDQLT-UHFFFAOYSA-N 0 3 185.271 0.111 20 0 ACADHN COC(C)(C)C[C@H](C)NC(=O)CN 308654840 409746101 /nfs/dbraw/zinc/74/61/01/409746101.db2.gz NKOCTQDVZZKQJI-ZETCQYMHSA-N 0 3 188.271 0.265 20 0 ACADHN CC[C@@H](NC)C(=O)N1CCCCN1 662580211 409746280 /nfs/dbraw/zinc/74/62/80/409746280.db2.gz CVPVLZOKQHAHSX-MRVPVSSYSA-N 0 3 185.271 0.111 20 0 ACADHN CC[C@@H](N)C(=O)N(C)Cc1c[nH]cn1 662585936 409746788 /nfs/dbraw/zinc/74/67/88/409746788.db2.gz MOITWYSTMMVFPG-MRVPVSSYSA-N 0 3 196.254 0.105 20 0 ACADHN COC(C)(C)C[C@@H](C)NC(=O)CN 308654839 409747047 /nfs/dbraw/zinc/74/70/47/409747047.db2.gz NKOCTQDVZZKQJI-SSDOTTSWSA-N 0 3 188.271 0.265 20 0 ACADHN CC[C@H](N)C(=O)N(C)Cc1c[nH]cn1 662585937 409747146 /nfs/dbraw/zinc/74/71/46/409747146.db2.gz MOITWYSTMMVFPG-QMMMGPOBSA-N 0 3 196.254 0.105 20 0 ACADHN NCC(=O)N(C1CCCC1)C1CC1 308653104 409747320 /nfs/dbraw/zinc/74/73/20/409747320.db2.gz MDQMUJGIZOWVHW-UHFFFAOYSA-N 0 3 182.267 0.879 20 0 ACADHN Cc1c[nH]nc1CNC[C@H](C)N(C)C 308650652 409747407 /nfs/dbraw/zinc/74/74/07/409747407.db2.gz KGBCBWFYGGLSEM-VIFPVBQESA-N 0 3 196.298 0.758 20 0 ACADHN CN(CCC1CC1)C(=O)CNC1CC1 308663791 409749690 /nfs/dbraw/zinc/74/96/90/409749690.db2.gz RIQJOLYXZJOYRS-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN CC[C@@H](N)C(=O)N(C)c1nccs1 308677661 409750177 /nfs/dbraw/zinc/75/01/77/409750177.db2.gz WOTHKJLLWKRCCL-ZCFIWIBFSA-N 0 3 199.279 0.843 20 0 ACADHN CCNC(=O)NC(C)(C)CN(C)C 308695471 409750660 /nfs/dbraw/zinc/75/06/60/409750660.db2.gz JTTBEHUEDQOHDO-UHFFFAOYSA-N 0 3 187.287 0.646 20 0 ACADHN CC[C@H](N)C(=O)N(C)c1nccs1 308677655 409750893 /nfs/dbraw/zinc/75/08/93/409750893.db2.gz WOTHKJLLWKRCCL-LURJTMIESA-N 0 3 199.279 0.843 20 0 ACADHN CC(C)[C@@H](N)C(=O)N1CC[C@H]2C[C@H]2C1 662706791 409752036 /nfs/dbraw/zinc/75/20/36/409752036.db2.gz WVMDVJHUMRNWTO-LPEHRKFASA-N 0 3 196.294 0.838 20 0 ACADHN C[C@H](N)C(=O)N(C)CC1=CCCOC1 662661380 409752066 /nfs/dbraw/zinc/75/20/66/409752066.db2.gz AZLWXGCMGYYRIN-QMMMGPOBSA-N 0 3 198.266 0.139 20 0 ACADHN CC[C@H](N)C(=O)NCCC(C)(C)F 662662185 409752189 /nfs/dbraw/zinc/75/21/89/409752189.db2.gz BKSXIPAFMRJUDG-ZETCQYMHSA-N 0 3 190.262 0.978 20 0 ACADHN CNCC(=O)N1CC[C@H]2C[C@H]2C1 662702506 409752276 /nfs/dbraw/zinc/75/22/76/409752276.db2.gz APFQJHWJQIGQKG-YUMQZZPRSA-N 0 3 168.240 0.074 20 0 ACADHN CC[C@@H](N)C(=O)NCCC(C)(C)F 662662184 409752347 /nfs/dbraw/zinc/75/23/47/409752347.db2.gz BKSXIPAFMRJUDG-SSDOTTSWSA-N 0 3 190.262 0.978 20 0 ACADHN CC[C@@H](N)C(=O)NCC1=CCCC1 662706824 409752433 /nfs/dbraw/zinc/75/24/33/409752433.db2.gz GDJOZFCGAKSBCG-SECBINFHSA-N 0 3 182.267 0.950 20 0 ACADHN CC[C@H](N)C(=O)NCC1=CCCC1 662706825 409752537 /nfs/dbraw/zinc/75/25/37/409752537.db2.gz GDJOZFCGAKSBCG-VIFPVBQESA-N 0 3 182.267 0.950 20 0 ACADHN CC[C@@H](N)C(=O)N1CC[C@H]2C[C@H]2C1 662706000 409752578 /nfs/dbraw/zinc/75/25/78/409752578.db2.gz SOWZFSVJUMGCOG-XHNCKOQMSA-N 0 3 182.267 0.592 20 0 ACADHN CC[C@@H](N)C(=O)NCCc1ccoc1 662662225 409752622 /nfs/dbraw/zinc/75/26/22/409752622.db2.gz CJZIQLKMUVZJSV-SECBINFHSA-N 0 3 196.250 0.676 20 0 ACADHN CC(C)NCC(=O)N1CC[C@H]2C[C@H]2C1 662704644 409752643 /nfs/dbraw/zinc/75/26/43/409752643.db2.gz JKYPVNCFFFTDSF-UWVGGRQHSA-N 0 3 196.294 0.853 20 0 ACADHN CN[C@@H](C)C(=O)N1CC[C@@H]2C[C@@H]2C1 662706477 409752675 /nfs/dbraw/zinc/75/26/75/409752675.db2.gz WCOFXZIYOFPLLG-DJLDLDEBSA-N 0 3 182.267 0.463 20 0 ACADHN NC1(C(=O)N2CC[C@H]3C[C@H]3C2)CCC1 662704654 409752713 /nfs/dbraw/zinc/75/27/13/409752713.db2.gz JMPJXLIAKURMOD-IUCAKERBSA-N 0 3 194.278 0.736 20 0 ACADHN NC1(C(=O)N2CC[C@@H]3C[C@@H]3C2)CCC1 662704655 409752767 /nfs/dbraw/zinc/75/27/67/409752767.db2.gz JMPJXLIAKURMOD-RKDXNWHRSA-N 0 3 194.278 0.736 20 0 ACADHN CNCC(=O)N(C)CC1=CCCOC1 662661841 409752905 /nfs/dbraw/zinc/75/29/05/409752905.db2.gz JHVUOUZTRAQORH-UHFFFAOYSA-N 0 3 198.266 0.011 20 0 ACADHN C[C@@H](N)C(=O)N(C)CC1=CCCOC1 662661379 409752999 /nfs/dbraw/zinc/75/29/99/409752999.db2.gz AZLWXGCMGYYRIN-MRVPVSSYSA-N 0 3 198.266 0.139 20 0 ACADHN O=C(CNC1CC1)N1CC[C@H]2C[C@H]2C1 662704840 409753047 /nfs/dbraw/zinc/75/30/47/409753047.db2.gz LIJHSEOWIAIALA-IUCAKERBSA-N 0 3 194.278 0.607 20 0 ACADHN CN[C@@H](C)C(=O)N1CC[C@H]2C[C@H]2C1 662706476 409753281 /nfs/dbraw/zinc/75/32/81/409753281.db2.gz WCOFXZIYOFPLLG-CIUDSAMLSA-N 0 3 182.267 0.463 20 0 ACADHN CC(C)[C@@H](N)C(=O)N1CC[C@@H]2C[C@@H]2C1 662706793 409753302 /nfs/dbraw/zinc/75/33/02/409753302.db2.gz WVMDVJHUMRNWTO-OPRDCNLKSA-N 0 3 196.294 0.838 20 0 ACADHN CC[C@H](N)C(=O)NCCc1ccoc1 662662326 409753332 /nfs/dbraw/zinc/75/33/32/409753332.db2.gz CJZIQLKMUVZJSV-VIFPVBQESA-N 0 3 196.250 0.676 20 0 ACADHN CC[C@H](N)C(=O)N1CC[C@@H]2C[C@@H]2C1 662705991 409753347 /nfs/dbraw/zinc/75/33/47/409753347.db2.gz SOWZFSVJUMGCOG-HLTSFMKQSA-N 0 3 182.267 0.592 20 0 ACADHN O=C(CNC1CC1)N1CC[C@@H]2C[C@@H]2C1 662704841 409753442 /nfs/dbraw/zinc/75/34/42/409753442.db2.gz LIJHSEOWIAIALA-RKDXNWHRSA-N 0 3 194.278 0.607 20 0 ACADHN CNCC(=O)N1CC[C@@H]2C[C@@H]2C1 662702501 409753487 /nfs/dbraw/zinc/75/34/87/409753487.db2.gz APFQJHWJQIGQKG-HTQZYQBOSA-N 0 3 168.240 0.074 20 0 ACADHN CC(C)NCC(=O)N1CC[C@@H]2C[C@@H]2C1 662704643 409753553 /nfs/dbraw/zinc/75/35/53/409753553.db2.gz JKYPVNCFFFTDSF-NXEZZACHSA-N 0 3 196.294 0.853 20 0 ACADHN CC[C@@H](N)C(=O)N1CC[C@@H]2C[C@@H]2C1 662705993 409753570 /nfs/dbraw/zinc/75/35/70/409753570.db2.gz SOWZFSVJUMGCOG-IWSPIJDZSA-N 0 3 182.267 0.592 20 0 ACADHN CC[C@H](N)C(=O)N1CC[C@H]2C[C@H]2C1 662705988 409753594 /nfs/dbraw/zinc/75/35/94/409753594.db2.gz SOWZFSVJUMGCOG-CIUDSAMLSA-N 0 3 182.267 0.592 20 0 ACADHN CNCC(=O)N(C1CC1)[C@@H](C)C1CC1 308874931 409756206 /nfs/dbraw/zinc/75/62/06/409756206.db2.gz MRJNPARXNBGYCM-QMMMGPOBSA-N 0 3 196.294 0.995 20 0 ACADHN COCC1(NC(=O)CNC2CC2)CC1 308859484 409757215 /nfs/dbraw/zinc/75/72/15/409757215.db2.gz ANELEPVERJMSRV-UHFFFAOYSA-N 0 3 198.266 0.034 20 0 ACADHN CCN(C(=O)[C@H]1NCC1(C)C)C1CC1 308858781 409757302 /nfs/dbraw/zinc/75/73/02/409757302.db2.gz ABQOXALTTGQGDQ-SECBINFHSA-N 0 3 196.294 0.995 20 0 ACADHN CNCC(=O)N(C1CC1)[C@H](C)C1CC1 308874442 409757330 /nfs/dbraw/zinc/75/73/30/409757330.db2.gz MRJNPARXNBGYCM-MRVPVSSYSA-N 0 3 196.294 0.995 20 0 ACADHN CCc1cc(CNC(=O)CNC)on1 308869635 409757498 /nfs/dbraw/zinc/75/74/98/409757498.db2.gz INMKYWNYVSQMKU-UHFFFAOYSA-N 0 3 197.238 0.073 20 0 ACADHN CCN(C(=O)[C@@H]1NCC1(C)C)C1CC1 308858784 409757513 /nfs/dbraw/zinc/75/75/13/409757513.db2.gz ABQOXALTTGQGDQ-VIFPVBQESA-N 0 3 196.294 0.995 20 0 ACADHN CC[C@H](N)C(=O)N[C@]12CCC[C@H]1C2 662847804 409757635 /nfs/dbraw/zinc/75/76/35/409757635.db2.gz MVWBDELFENRUSI-NRPADANISA-N 0 3 182.267 0.783 20 0 ACADHN CNCC(=O)N(C)C(C1CC1)C1CC1 308884365 409757667 /nfs/dbraw/zinc/75/76/67/409757667.db2.gz RXOSUUBTLUIJBJ-UHFFFAOYSA-N 0 3 196.294 0.853 20 0 ACADHN CN[C@@H](C)C(=O)N[C@@]12CCC[C@@H]1C2 662847799 409757926 /nfs/dbraw/zinc/75/79/26/409757926.db2.gz MVPAWRPRQSWRPD-QXFUBDJGSA-N 0 3 182.267 0.653 20 0 ACADHN CC[C@H](N)C(=O)N[C@@]12CCC[C@@H]1C2 662847801 409757996 /nfs/dbraw/zinc/75/79/96/409757996.db2.gz MVWBDELFENRUSI-KHQFGBGNSA-N 0 3 182.267 0.783 20 0 ACADHN CN[C@@H](C)C(=O)N[C@]12CCC[C@H]1C2 662847797 409758386 /nfs/dbraw/zinc/75/83/86/409758386.db2.gz MVPAWRPRQSWRPD-NRPADANISA-N 0 3 182.267 0.653 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@]12CCC[C@@H]1C2 662847803 409758562 /nfs/dbraw/zinc/75/85/62/409758562.db2.gz MVWBDELFENRUSI-NQMVMOMDSA-N 0 3 182.267 0.783 20 0 ACADHN CC[C@@H](N)C(=O)N[C@]12CCC[C@H]1C2 662847808 409758671 /nfs/dbraw/zinc/75/86/71/409758671.db2.gz MVWBDELFENRUSI-XKSSXDPKSA-N 0 3 182.267 0.783 20 0 ACADHN COCC1(NC(=O)CN)CCCC1 662847984 409758708 /nfs/dbraw/zinc/75/87/08/409758708.db2.gz QZRQMMQIOJGQMM-UHFFFAOYSA-N 0 3 186.255 0.021 20 0 ACADHN CC[C@H](N)C(=O)NCC(C)(F)F 662899725 409759934 /nfs/dbraw/zinc/75/99/34/409759934.db2.gz ZPNQOHJFYIXLEN-YFKPBYRVSA-N 0 3 180.198 0.495 20 0 ACADHN CC(C)[C@H](N)C(=O)NCC(C)(F)F 662898430 409760138 /nfs/dbraw/zinc/76/01/38/409760138.db2.gz MQDJCBTUDLWVID-LURJTMIESA-N 0 3 194.225 0.741 20 0 ACADHN CC(F)(F)CNC(=O)CNC1CC1 662898472 409760272 /nfs/dbraw/zinc/76/02/72/409760272.db2.gz NKMNIYDFLQUWSH-UHFFFAOYSA-N 0 3 192.209 0.510 20 0 ACADHN CN[C@@H](C)C(=O)NCC(C)(F)F 662897358 409760359 /nfs/dbraw/zinc/76/03/59/409760359.db2.gz DVJZQLJOWFLWSM-YFKPBYRVSA-N 0 3 180.198 0.366 20 0 ACADHN CC(F)(F)CNC(=O)C(C)(C)N 662897989 409760364 /nfs/dbraw/zinc/76/03/64/409760364.db2.gz JDJFYZKOCOSUJH-UHFFFAOYSA-N 0 3 180.198 0.495 20 0 ACADHN NCC(=O)NCCCC1CCC1 662875858 409760632 /nfs/dbraw/zinc/76/06/32/409760632.db2.gz SCULVHJHMUUYIV-UHFFFAOYSA-N 0 3 170.256 0.642 20 0 ACADHN CC(C)[C@@H](N)C(=O)NCC(C)(F)F 662898432 409760801 /nfs/dbraw/zinc/76/08/01/409760801.db2.gz MQDJCBTUDLWVID-ZCFIWIBFSA-N 0 3 194.225 0.741 20 0 ACADHN CC[C@@H](C)CCNC(=O)CN 662856356 409760841 /nfs/dbraw/zinc/76/08/41/409760841.db2.gz RDSNHDAJDLBRTO-SSDOTTSWSA-N 0 3 158.245 0.498 20 0 ACADHN CC(C)NCC(=O)NCC(C)(F)F 662898898 409761501 /nfs/dbraw/zinc/76/15/01/409761501.db2.gz SWWFWQSMAWORHJ-UHFFFAOYSA-N 0 3 194.225 0.756 20 0 ACADHN CC(C)(F)CCNC(=O)CN 662872588 409761623 /nfs/dbraw/zinc/76/16/23/409761623.db2.gz NVJISOIJYRKOPN-UHFFFAOYSA-N 0 3 162.208 0.200 20 0 ACADHN CC(F)(F)CNC(=O)C1(N)CCC1 662898437 409761729 /nfs/dbraw/zinc/76/17/29/409761729.db2.gz MVZCOMOYEFXIBN-UHFFFAOYSA-N 0 3 192.209 0.639 20 0 ACADHN CC[C@@H](N)C(=O)NCC(C)(F)F 662899722 409761830 /nfs/dbraw/zinc/76/18/30/409761830.db2.gz ZPNQOHJFYIXLEN-RXMQYKEDSA-N 0 3 180.198 0.495 20 0 ACADHN CC[C@H](C)CCNC(=O)CN 662856357 409761867 /nfs/dbraw/zinc/76/18/67/409761867.db2.gz RDSNHDAJDLBRTO-ZETCQYMHSA-N 0 3 158.245 0.498 20 0 ACADHN CC[C@H](N)C(=O)NCc1cc(C)n[nH]1 308992709 409762832 /nfs/dbraw/zinc/76/28/32/409762832.db2.gz LQZXQANJYKREHY-QMMMGPOBSA-N 0 3 196.254 0.072 20 0 ACADHN CC[C@H](N)C(=O)NCc1cc(C)[nH]n1 308992709 409762838 /nfs/dbraw/zinc/76/28/38/409762838.db2.gz LQZXQANJYKREHY-QMMMGPOBSA-N 0 3 196.254 0.072 20 0 ACADHN NC1(C(=O)NC2CC3(CCC3)C2)CC1 662907821 409763968 /nfs/dbraw/zinc/76/39/68/409763968.db2.gz XVJOUQUWFXBHQS-UHFFFAOYSA-N 0 3 194.278 0.927 20 0 ACADHN NCC(=O)NCCCc1ccco1 662928428 409764358 /nfs/dbraw/zinc/76/43/58/409764358.db2.gz PNBYMFBGANLQSF-UHFFFAOYSA-N 0 3 182.223 0.287 20 0 ACADHN CN(CC1=CCSC1)C(=O)CN 662951859 409764635 /nfs/dbraw/zinc/76/46/35/409764635.db2.gz OQTZSLHZXNADDP-UHFFFAOYSA-N 0 3 186.280 0.077 20 0 ACADHN CC(C)CC1(NC(=O)CN)CC1 662926682 409764833 /nfs/dbraw/zinc/76/48/33/409764833.db2.gz USXHDXCISAVBPR-UHFFFAOYSA-N 0 3 170.256 0.640 20 0 ACADHN CNCC(=O)N(C)C[C@@H]1CC1(C)C 662989741 409766273 /nfs/dbraw/zinc/76/62/73/409766273.db2.gz HOEMBLBQRVMROU-QMMMGPOBSA-N 0 3 184.283 0.710 20 0 ACADHN CNCC(=O)N(C)C[C@H]1CC1(C)C 662989740 409766508 /nfs/dbraw/zinc/76/65/08/409766508.db2.gz HOEMBLBQRVMROU-MRVPVSSYSA-N 0 3 184.283 0.710 20 0 ACADHN CNCC(=O)NCc1ccc(F)cn1 309071572 409766747 /nfs/dbraw/zinc/76/67/47/409766747.db2.gz DSNJJZBYRBNURZ-UHFFFAOYSA-N 0 3 197.213 0.056 20 0 ACADHN CN(C[C@H]1CC1(C)C)C(=O)CN 662990976 409767234 /nfs/dbraw/zinc/76/72/34/409767234.db2.gz PDLDIWOPFIOTDP-SSDOTTSWSA-N 0 3 170.256 0.450 20 0 ACADHN CN(C[C@H]1CC1(C)C)C(=O)C1(N)CC1 662989487 409767430 /nfs/dbraw/zinc/76/74/30/409767430.db2.gz FZAHIJOHOKLQMD-MRVPVSSYSA-N 0 3 196.294 0.982 20 0 ACADHN CN(C[C@@H]1CC1(C)C)C(=O)CN 662990977 409767449 /nfs/dbraw/zinc/76/74/49/409767449.db2.gz PDLDIWOPFIOTDP-ZETCQYMHSA-N 0 3 170.256 0.450 20 0 ACADHN CN(C[C@@H]1CC1(C)C)C(=O)C1(N)CC1 662989490 409768019 /nfs/dbraw/zinc/76/80/19/409768019.db2.gz FZAHIJOHOKLQMD-QMMMGPOBSA-N 0 3 196.294 0.982 20 0 ACADHN CC(C)n1ccc(CNC(=O)CN)n1 309121115 409769808 /nfs/dbraw/zinc/76/98/08/409769808.db2.gz NUNJFZRFVLQOGR-UHFFFAOYSA-N 0 3 196.254 0.039 20 0 ACADHN C[C@@H](N)C(=O)N(C)C[C@H]1CC1(C)C 662991640 409770193 /nfs/dbraw/zinc/77/01/93/409770193.db2.gz WLFXUQIRTXQUDD-HTQZYQBOSA-N 0 3 184.283 0.838 20 0 ACADHN C[C@@H](N)C(=O)N(C)C[C@@H]1CC1(C)C 662991642 409770213 /nfs/dbraw/zinc/77/02/13/409770213.db2.gz WLFXUQIRTXQUDD-SFYZADRCSA-N 0 3 184.283 0.838 20 0 ACADHN CCc1cc(CNC(=O)[C@H](C)N)on1 309109633 409770336 /nfs/dbraw/zinc/77/03/36/409770336.db2.gz JGNUGZDVFZHOQF-LURJTMIESA-N 0 3 197.238 0.200 20 0 ACADHN C[C@H](N)C(=O)N(C)C[C@@H]1CC1(C)C 662991643 409770434 /nfs/dbraw/zinc/77/04/34/409770434.db2.gz WLFXUQIRTXQUDD-YUMQZZPRSA-N 0 3 184.283 0.838 20 0 ACADHN CCc1cc(CNC(=O)[C@@H](C)N)on1 309109634 409770484 /nfs/dbraw/zinc/77/04/84/409770484.db2.gz JGNUGZDVFZHOQF-ZCFIWIBFSA-N 0 3 197.238 0.200 20 0 ACADHN C[C@H](N)C(=O)N(C)C[C@H]1CC1(C)C 662991641 409770575 /nfs/dbraw/zinc/77/05/75/409770575.db2.gz WLFXUQIRTXQUDD-JGVFFNPUSA-N 0 3 184.283 0.838 20 0 ACADHN CC[C@@H](N)C(=O)N(C)Cc1ccon1 309113129 409771102 /nfs/dbraw/zinc/77/11/02/409771102.db2.gz KLGXZKNBAHTTGX-MRVPVSSYSA-N 0 3 197.238 0.370 20 0 ACADHN CC[C@H](N)C(=O)N(C)Cc1ccon1 309113130 409771546 /nfs/dbraw/zinc/77/15/46/409771546.db2.gz KLGXZKNBAHTTGX-QMMMGPOBSA-N 0 3 197.238 0.370 20 0 ACADHN CC[C@H](NC(=O)CN)c1ccncc1 309635941 409773338 /nfs/dbraw/zinc/77/33/38/409773338.db2.gz SLWVDILCYDLJDO-VIFPVBQESA-N 0 3 193.250 0.608 20 0 ACADHN COc1cc(F)cc(CNCCO)c1 312286538 409773645 /nfs/dbraw/zinc/77/36/45/409773645.db2.gz QYNIOZJQMANWCJ-UHFFFAOYSA-N 0 3 199.225 0.916 20 0 ACADHN CC[C@@H](NC(=O)CN)c1ccncc1 309635940 409773670 /nfs/dbraw/zinc/77/36/70/409773670.db2.gz SLWVDILCYDLJDO-SECBINFHSA-N 0 3 193.250 0.608 20 0 ACADHN CC(=O)c1ccnc(NC2CNC2)c1 663239395 409774005 /nfs/dbraw/zinc/77/40/05/409774005.db2.gz OYGVRTUOWQZXAS-UHFFFAOYSA-N 0 3 191.234 0.668 20 0 ACADHN N[C@@H]1CN(c2ncccn2)CC[C@H]1F 663240406 409774808 /nfs/dbraw/zinc/77/48/08/409774808.db2.gz IEEMBEYWIVWWCX-HTQZYQBOSA-N 0 3 196.229 0.352 20 0 ACADHN Cc1ccc(CCNC(=O)CN)cn1 309558685 409774988 /nfs/dbraw/zinc/77/49/88/409774988.db2.gz NNJSUBHCJOKNJR-UHFFFAOYSA-N 0 3 193.250 0.007 20 0 ACADHN CC[C@H](N)C(=O)N(C)c1cnn(C)c1 309565894 409775902 /nfs/dbraw/zinc/77/59/02/409775902.db2.gz QPAGLTUXYQTLBT-QMMMGPOBSA-N 0 3 196.254 0.120 20 0 ACADHN CCNC(=O)CN1CCC2(CC1)CC2 663437489 409779097 /nfs/dbraw/zinc/77/90/97/409779097.db2.gz BJPHOODVZJYAMS-UHFFFAOYSA-N 0 3 196.294 0.999 20 0 ACADHN COCC1(N(C)CC[C@@H](C)O)CC1 663453083 409779894 /nfs/dbraw/zinc/77/98/94/409779894.db2.gz SJJDXARKRSJONQ-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN COCC1(N(C)CC[C@H](C)O)CC1 663453084 409780746 /nfs/dbraw/zinc/78/07/46/409780746.db2.gz SJJDXARKRSJONQ-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN CO[C@@H](CNC(=O)CN)C(C)(C)C 379634089 409860980 /nfs/dbraw/zinc/86/09/80/409860980.db2.gz QACTZXPZUFSQBT-ZETCQYMHSA-N 0 3 188.271 0.122 20 0 ACADHN C[C@@H]1CN(C)CCN1C[C@H]1CCCO1 334204717 409787273 /nfs/dbraw/zinc/78/72/73/409787273.db2.gz SRKYPSUHHKOVFP-GHMZBOCLSA-N 0 3 198.310 0.801 20 0 ACADHN N[C@@H]1CN(Cc2cc[nH]n2)CC[C@H]1F 663506205 409787642 /nfs/dbraw/zinc/78/76/42/409787642.db2.gz JLYFLYHZVZFTCG-RKDXNWHRSA-N 0 3 198.245 0.281 20 0 ACADHN Cc1ccc(N(C)CCN(C)C)nn1 663679060 409796125 /nfs/dbraw/zinc/79/61/25/409796125.db2.gz AYPANWBLOVCABZ-UHFFFAOYSA-N 0 3 194.282 0.783 20 0 ACADHN Cc1ccc(N2CC(N(C)C)C2)nn1 663757051 409796785 /nfs/dbraw/zinc/79/67/85/409796785.db2.gz UODQMBTZFBGWEP-UHFFFAOYSA-N 0 3 192.266 0.535 20 0 ACADHN CO[C@@H](CNCCF)C1CC1 378716451 409797964 /nfs/dbraw/zinc/79/79/64/409797964.db2.gz ZZZSTAWUXGNMHM-QMMMGPOBSA-N 0 3 161.220 0.971 20 0 ACADHN CO[C@H](CNCCF)C1CC1 378716450 409799317 /nfs/dbraw/zinc/79/93/17/409799317.db2.gz ZZZSTAWUXGNMHM-MRVPVSSYSA-N 0 3 161.220 0.971 20 0 ACADHN C[C@@H]1C[C@H]1C(=O)NC[C@@H](C)N(C)C 378790900 409800293 /nfs/dbraw/zinc/80/02/93/409800293.db2.gz NLVOAGISCPDZGC-IWSPIJDZSA-N 0 3 184.283 0.709 20 0 ACADHN Cc1nocc1CNCC[C@H](C)O 378791858 409800938 /nfs/dbraw/zinc/80/09/38/409800938.db2.gz NGTKVTWITOGVOL-ZETCQYMHSA-N 0 3 184.239 0.844 20 0 ACADHN CCOCC(C)(C)NCC(=O)NC 378791568 409801438 /nfs/dbraw/zinc/80/14/38/409801438.db2.gz NBQVRKGZCFDYCQ-UHFFFAOYSA-N 0 3 188.271 0.137 20 0 ACADHN CC[C@H](O)CNCc1conc1C 378792786 409802330 /nfs/dbraw/zinc/80/23/30/409802330.db2.gz OAHNOGSQTGZYKV-VIFPVBQESA-N 0 3 184.239 0.844 20 0 ACADHN C[C@@H](CNC(=O)[C@@H]1C[C@H]1C)N(C)C 378790899 409802669 /nfs/dbraw/zinc/80/26/69/409802669.db2.gz NLVOAGISCPDZGC-HRDYMLBCSA-N 0 3 184.283 0.709 20 0 ACADHN CCc1nocc1CNC[C@@H](C)O 378864545 409807957 /nfs/dbraw/zinc/80/79/57/409807957.db2.gz XPPDSQGOWZWKCR-SSDOTTSWSA-N 0 3 184.239 0.707 20 0 ACADHN CCc1nocc1CNC[C@H](C)O 378864546 409808534 /nfs/dbraw/zinc/80/85/34/409808534.db2.gz XPPDSQGOWZWKCR-ZETCQYMHSA-N 0 3 184.239 0.707 20 0 ACADHN Cc1nocc1CNCC[C@@H](C)O 378870863 409813733 /nfs/dbraw/zinc/81/37/33/409813733.db2.gz NGTKVTWITOGVOL-SSDOTTSWSA-N 0 3 184.239 0.844 20 0 ACADHN CC[C@H](CO)N(C)Cc1cnn(C)c1 379138846 409818080 /nfs/dbraw/zinc/81/80/80/409818080.db2.gz DXCSJQUOFXWZTJ-SNVBAGLBSA-N 0 3 197.282 0.623 20 0 ACADHN COCCCN[C@@H]1CCn2ccnc21 379131074 409818809 /nfs/dbraw/zinc/81/88/09/409818809.db2.gz AUAMOWJBGBOEFH-SECBINFHSA-N 0 3 195.266 0.954 20 0 ACADHN COCCCN[C@H]1CCn2ccnc21 379131075 409819036 /nfs/dbraw/zinc/81/90/36/409819036.db2.gz AUAMOWJBGBOEFH-VIFPVBQESA-N 0 3 195.266 0.954 20 0 ACADHN CC[C@@H](CO)N(C)Cc1cnn(C)c1 379138845 409819323 /nfs/dbraw/zinc/81/93/23/409819323.db2.gz DXCSJQUOFXWZTJ-JTQLQIEISA-N 0 3 197.282 0.623 20 0 ACADHN CN(C)CCN[C@H]1CCn2ccnc21 379098673 409819648 /nfs/dbraw/zinc/81/96/48/409819648.db2.gz NWWQLGVFLIDXNS-VIFPVBQESA-N 0 3 194.282 0.479 20 0 ACADHN CN(C)CCN[C@@H]1CCn2ccnc21 379098672 409819776 /nfs/dbraw/zinc/81/97/76/409819776.db2.gz NWWQLGVFLIDXNS-SECBINFHSA-N 0 3 194.282 0.479 20 0 ACADHN CCN(C)C(=O)[C@H](N)CC(F)F 379320681 409825655 /nfs/dbraw/zinc/82/56/55/409825655.db2.gz XYKGYBAHAAFBHV-RXMQYKEDSA-N 0 3 180.198 0.447 20 0 ACADHN CCN(C)C(=O)[C@@H](N)CC(F)F 379320682 409825730 /nfs/dbraw/zinc/82/57/30/409825730.db2.gz XYKGYBAHAAFBHV-YFKPBYRVSA-N 0 3 180.198 0.447 20 0 ACADHN Cc1cc(CNC[C@@H](C)O)sn1 379327718 409827358 /nfs/dbraw/zinc/82/73/58/409827358.db2.gz LZTRBCUBPFHXDX-SSDOTTSWSA-N 0 3 186.280 0.922 20 0 ACADHN CNC(=O)CN(C(C)C)C(C)C 379337472 409829885 /nfs/dbraw/zinc/82/98/85/409829885.db2.gz XOHQMFDJBROEGZ-UHFFFAOYSA-N 0 3 172.272 0.851 20 0 ACADHN CCCCN(CCC)CC(N)=O 379333936 409829959 /nfs/dbraw/zinc/82/99/59/409829959.db2.gz KWLJPLISYDTJBZ-UHFFFAOYSA-N 0 3 172.272 0.984 20 0 ACADHN CNC(=O)CNC1(C2CC2)CC1 379336528 409830283 /nfs/dbraw/zinc/83/02/83/409830283.db2.gz QXGIVUHNZDPXEL-UHFFFAOYSA-N 0 3 168.240 0.265 20 0 ACADHN CCN(CC)C(=O)[C@@H](N)CC(F)F 379362157 409831544 /nfs/dbraw/zinc/83/15/44/409831544.db2.gz DBPFKZYGNQLQBN-LURJTMIESA-N 0 3 194.225 0.837 20 0 ACADHN CCCN(C)C(=O)[C@@H](N)CC(F)F 379356895 409832023 /nfs/dbraw/zinc/83/20/23/409832023.db2.gz PSLZPFKGNORQQD-LURJTMIESA-N 0 3 194.225 0.837 20 0 ACADHN CCCN(CC(N)=O)CC1CCC1 379352912 409832167 /nfs/dbraw/zinc/83/21/67/409832167.db2.gz DEKDAIDXHWVKFS-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN CCN(CC)C(=O)[C@H](N)CC(F)F 379362159 409832692 /nfs/dbraw/zinc/83/26/92/409832692.db2.gz DBPFKZYGNQLQBN-ZCFIWIBFSA-N 0 3 194.225 0.837 20 0 ACADHN CCCN(C)C(=O)[C@H](N)CC(F)F 379356896 409833235 /nfs/dbraw/zinc/83/32/35/409833235.db2.gz PSLZPFKGNORQQD-ZCFIWIBFSA-N 0 3 194.225 0.837 20 0 ACADHN CNC(=O)CN(C)CC1(C)CCC1 379360769 409833418 /nfs/dbraw/zinc/83/34/18/409833418.db2.gz CSTZBLUMXDJIJF-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN CCN(Cc1cnc[nH]1)[C@H](C)CO 379358174 409833425 /nfs/dbraw/zinc/83/34/25/409833425.db2.gz UQGPOINKESWZPS-MRVPVSSYSA-N 0 3 183.255 0.612 20 0 ACADHN CN(CCC1CC1)C(=O)C1(N)CC1 379366792 409834594 /nfs/dbraw/zinc/83/45/94/409834594.db2.gz SSWKYDYGCIFAOA-UHFFFAOYSA-N 0 3 182.267 0.736 20 0 ACADHN CC(C)CNC(=O)[C@H](N)CC(F)F 379367972 409834789 /nfs/dbraw/zinc/83/47/89/409834789.db2.gz NDMFEMLSXOURLN-ZCFIWIBFSA-N 0 3 194.225 0.741 20 0 ACADHN CC(C)CNC(=O)[C@@H](N)CC(F)F 379367908 409835421 /nfs/dbraw/zinc/83/54/21/409835421.db2.gz NDMFEMLSXOURLN-LURJTMIESA-N 0 3 194.225 0.741 20 0 ACADHN CCCCN(C)CC(=O)N1CCC1 379383974 409836991 /nfs/dbraw/zinc/83/69/91/409836991.db2.gz MGTOWEMEQMADAS-UHFFFAOYSA-N 0 3 184.283 0.951 20 0 ACADHN CCCN(CCC1CC1)CC(N)=O 379373330 409838394 /nfs/dbraw/zinc/83/83/94/409838394.db2.gz LCIOBVJRSHUFDM-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN CC[C@H](N)C(=O)N(C)CCC1CC1 379384174 409838413 /nfs/dbraw/zinc/83/84/13/409838413.db2.gz MYVVXZMIZFGXDM-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN C[C@@H]1C[C@@H]1C(=O)NC[C@@H](C)N(C)C 379384288 409838469 /nfs/dbraw/zinc/83/84/69/409838469.db2.gz NLVOAGISCPDZGC-HLTSFMKQSA-N 0 3 184.283 0.709 20 0 ACADHN C[C@@H](CNC(=O)[C@H]1C[C@H]1C)N(C)C 379384289 409838951 /nfs/dbraw/zinc/83/89/51/409838951.db2.gz NLVOAGISCPDZGC-VGMNWLOBSA-N 0 3 184.283 0.709 20 0 ACADHN CN(C)CCNC(=O)C1CC2(CC2)C1 665111697 409841357 /nfs/dbraw/zinc/84/13/57/409841357.db2.gz GDJXUAOUODAAKT-UHFFFAOYSA-N 0 3 196.294 0.854 20 0 ACADHN CCOC1(C)CCN(CCO)CC1 379403427 409841954 /nfs/dbraw/zinc/84/19/54/409841954.db2.gz PHVAYBUZODRKDS-UHFFFAOYSA-N 0 3 187.283 0.870 20 0 ACADHN CN(C)CCNC(=O)CCCF 665110813 409842778 /nfs/dbraw/zinc/84/27/78/409842778.db2.gz PCQFVKITBIPEDO-UHFFFAOYSA-N 0 3 176.235 0.414 20 0 ACADHN CCO[C@@H](C)C(=O)NCCN(C)C 379399218 409843808 /nfs/dbraw/zinc/84/38/08/409843808.db2.gz GOENRLXNXURJFK-QMMMGPOBSA-N 0 3 188.271 0.089 20 0 ACADHN CCO[C@H](C)C(=O)NCCN(C)C 379399217 409843988 /nfs/dbraw/zinc/84/39/88/409843988.db2.gz GOENRLXNXURJFK-MRVPVSSYSA-N 0 3 188.271 0.089 20 0 ACADHN CC(C)NCC(=O)N1C[C@H]2C[C@H]2C1 379561281 409848873 /nfs/dbraw/zinc/84/88/73/409848873.db2.gz UMYKWYMUHMNYIE-DTORHVGOSA-N 0 3 182.267 0.463 20 0 ACADHN CCC[C@](C)(N)C(=O)N1C[C@H]2C[C@H]2C1 379566330 409849116 /nfs/dbraw/zinc/84/91/16/409849116.db2.gz PFGFWCNPBWQPTL-NGZCFLSTSA-N 0 3 196.294 0.982 20 0 ACADHN CC[C@H](N)C(=O)NC1(COC)CC1 379570006 409849271 /nfs/dbraw/zinc/84/92/71/409849271.db2.gz CCFQFLNWFWDYKP-ZETCQYMHSA-N 0 3 186.255 0.019 20 0 ACADHN CCC[C@@](C)(N)C(=O)N1C[C@H]2C[C@H]2C1 379566334 409849731 /nfs/dbraw/zinc/84/97/31/409849731.db2.gz PFGFWCNPBWQPTL-WCABBAIRSA-N 0 3 196.294 0.982 20 0 ACADHN O=C(CNC1CC1)N1C[C@H]2C[C@H]2C1 379560541 409850004 /nfs/dbraw/zinc/85/00/04/409850004.db2.gz SDOOMRNMIDEAGF-OCAPTIKFSA-N 0 3 180.251 0.217 20 0 ACADHN CC(C)C[C@H](N)C(=O)N1C[C@H]2C[C@H]2C1 379552281 409850201 /nfs/dbraw/zinc/85/02/01/409850201.db2.gz SIOONCKURWCDSI-AEJSXWLSSA-N 0 3 196.294 0.838 20 0 ACADHN CC[C@H](O)CNCc1c(C)cnn1C 379529280 409850565 /nfs/dbraw/zinc/85/05/65/409850565.db2.gz HZLHWJWYRZKOPT-VIFPVBQESA-N 0 3 197.282 0.589 20 0 ACADHN CC(C)C[C@@H](N)C(=O)N1C[C@H]2C[C@H]2C1 379568481 409850632 /nfs/dbraw/zinc/85/06/32/409850632.db2.gz SIOONCKURWCDSI-KXUCPTDWSA-N 0 3 196.294 0.838 20 0 ACADHN CCCCN(CCOC)C(=O)CN 379571756 409851924 /nfs/dbraw/zinc/85/19/24/409851924.db2.gz FYEAKXUPHPQYMQ-UHFFFAOYSA-N 0 3 188.271 0.220 20 0 ACADHN CCC[C@@](C)(N)c1nc(CN)no1 379617483 409855145 /nfs/dbraw/zinc/85/51/45/409855145.db2.gz AOQGLVWIHHRTON-MRVPVSSYSA-N 0 3 184.243 0.502 20 0 ACADHN CC[C@@H](N)C(=O)NC1(COC)CC1 379618964 409855370 /nfs/dbraw/zinc/85/53/70/409855370.db2.gz CCFQFLNWFWDYKP-SSDOTTSWSA-N 0 3 186.255 0.019 20 0 ACADHN C[C@H](C1CC1)N(C(=O)CN)C1CC1 379609996 409855448 /nfs/dbraw/zinc/85/54/48/409855448.db2.gz SQKDXDSWRPJLAC-SSDOTTSWSA-N 0 3 182.267 0.735 20 0 ACADHN CCC[C@](C)(N)c1nc(CN)no1 379617495 409856414 /nfs/dbraw/zinc/85/64/14/409856414.db2.gz AOQGLVWIHHRTON-QMMMGPOBSA-N 0 3 184.243 0.502 20 0 ACADHN C[C@@H](C1CC1)N(C(=O)CN)C1CC1 379610010 409856684 /nfs/dbraw/zinc/85/66/84/409856684.db2.gz SQKDXDSWRPJLAC-ZETCQYMHSA-N 0 3 182.267 0.735 20 0 ACADHN CCCN(C)C(=O)[C@@H]1NCC1(C)C 379639263 409859188 /nfs/dbraw/zinc/85/91/88/409859188.db2.gz TTXXAJYOISBOJP-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN CCCN(C)C(=O)[C@H]1NCC1(C)C 379639253 409860721 /nfs/dbraw/zinc/86/07/21/409860721.db2.gz TTXXAJYOISBOJP-MRVPVSSYSA-N 0 3 184.283 0.853 20 0 ACADHN CO[C@H](CNC(=O)CN)C(C)(C)C 379634087 409861103 /nfs/dbraw/zinc/86/11/03/409861103.db2.gz QACTZXPZUFSQBT-SSDOTTSWSA-N 0 3 188.271 0.122 20 0 ACADHN Cc1cc(CNCC2(O)CCC2)n[nH]1 379665597 409866828 /nfs/dbraw/zinc/86/68/28/409866828.db2.gz WEWDGLJBMXUJQZ-UHFFFAOYSA-N 0 3 195.266 0.723 20 0 ACADHN Cc1cc(CNCC2(O)CCC2)[nH]n1 379665597 409866832 /nfs/dbraw/zinc/86/68/32/409866832.db2.gz WEWDGLJBMXUJQZ-UHFFFAOYSA-N 0 3 195.266 0.723 20 0 ACADHN C=CCN(C)C(=O)[C@@H]1NCC1(C)C 379666203 409867573 /nfs/dbraw/zinc/86/75/73/409867573.db2.gz XATNRDPVFFHTLC-QMMMGPOBSA-N 0 3 182.267 0.629 20 0 ACADHN C=CCN(C)C(=O)[C@H]1NCC1(C)C 379666202 409867977 /nfs/dbraw/zinc/86/79/77/409867977.db2.gz XATNRDPVFFHTLC-MRVPVSSYSA-N 0 3 182.267 0.629 20 0 ACADHN C[C@H](C(N)=O)N1CC[C@@H](C2CCC2)C1 665284643 409868108 /nfs/dbraw/zinc/86/81/08/409868108.db2.gz PPFKHNCSTGWJMD-PSASIEDQSA-N 0 3 196.294 0.982 20 0 ACADHN CNC(=O)CN1CC[C@@H](C2CCC2)C1 665284340 409868818 /nfs/dbraw/zinc/86/88/18/409868818.db2.gz IORAAISHIQEABK-SNVBAGLBSA-N 0 3 196.294 0.854 20 0 ACADHN C[C@@H](C(N)=O)N1CC[C@@H](C2CCC2)C1 665284645 409868991 /nfs/dbraw/zinc/86/89/91/409868991.db2.gz PPFKHNCSTGWJMD-WCBMZHEXSA-N 0 3 196.294 0.982 20 0 ACADHN C[C@@H](C(N)=O)N1CC[C@H](C2CCC2)C1 665284646 409869014 /nfs/dbraw/zinc/86/90/14/409869014.db2.gz PPFKHNCSTGWJMD-WPRPVWTQSA-N 0 3 196.294 0.982 20 0 ACADHN CC[C@@H](N)C(=O)NCc1cc(C)n[nH]1 380008711 409869199 /nfs/dbraw/zinc/86/91/99/409869199.db2.gz LQZXQANJYKREHY-MRVPVSSYSA-N 0 3 196.254 0.072 20 0 ACADHN CC[C@@H](N)C(=O)NCc1cc(C)[nH]n1 380008711 409869213 /nfs/dbraw/zinc/86/92/13/409869213.db2.gz LQZXQANJYKREHY-MRVPVSSYSA-N 0 3 196.254 0.072 20 0 ACADHN CNC(=O)CN1CC[C@H](C2CCC2)C1 665284339 409869871 /nfs/dbraw/zinc/86/98/71/409869871.db2.gz IORAAISHIQEABK-JTQLQIEISA-N 0 3 196.294 0.854 20 0 ACADHN C[C@H](C(N)=O)N1CC[C@H](C2CCC2)C1 665284644 409869930 /nfs/dbraw/zinc/86/99/30/409869930.db2.gz PPFKHNCSTGWJMD-SCZZXKLOSA-N 0 3 196.294 0.982 20 0 ACADHN CC1(C)CN[C@H]1C(=O)NCCC1CC1 379949306 409870295 /nfs/dbraw/zinc/87/02/95/409870295.db2.gz SHVZDRXIFBISGC-VIFPVBQESA-N 0 3 196.294 0.901 20 0 ACADHN NC(=O)CN1CC[C@H](C2CCC2)C1 665284687 409870420 /nfs/dbraw/zinc/87/04/20/409870420.db2.gz QXQVYXIWCNSLFY-VIFPVBQESA-N 0 3 182.267 0.594 20 0 ACADHN NC(=O)CN1CC[C@@H](C2CCC2)C1 665284686 409870555 /nfs/dbraw/zinc/87/05/55/409870555.db2.gz QXQVYXIWCNSLFY-SECBINFHSA-N 0 3 182.267 0.594 20 0 ACADHN CC1(C)CN[C@@H]1C(=O)NCCC1CC1 379949305 409870754 /nfs/dbraw/zinc/87/07/54/409870754.db2.gz SHVZDRXIFBISGC-SECBINFHSA-N 0 3 196.294 0.901 20 0 ACADHN CC[C@@H](N)C(=O)NCc1[nH]cnc1C 380226338 409875584 /nfs/dbraw/zinc/87/55/84/409875584.db2.gz OLKYXRLJRPOLGH-SSDOTTSWSA-N 0 3 196.254 0.072 20 0 ACADHN CC[C@H](N)C(=O)NCc1[nH]cnc1C 380226339 409875811 /nfs/dbraw/zinc/87/58/11/409875811.db2.gz OLKYXRLJRPOLGH-ZETCQYMHSA-N 0 3 196.254 0.072 20 0 ACADHN CC[C@@H](N)C(=O)N(C)c1cnn(C)c1 381255306 409877366 /nfs/dbraw/zinc/87/73/66/409877366.db2.gz QPAGLTUXYQTLBT-MRVPVSSYSA-N 0 3 196.254 0.120 20 0 ACADHN C[C@H]1CCN(C(=O)CNC2CC2)[C@@H]1C 380728360 409877782 /nfs/dbraw/zinc/87/77/82/409877782.db2.gz HSDVOLXVLHIDNS-DTWKUNHWSA-N 0 3 196.294 0.995 20 0 ACADHN CO[C@H](CNC(=O)[C@H](C)N)C(C)C 381146345 409878248 /nfs/dbraw/zinc/87/82/48/409878248.db2.gz KMTALOMWXPYUIH-JGVFFNPUSA-N 0 3 188.271 0.121 20 0 ACADHN C[C@H]1C[C@H]1C(=O)NC[C@H](C)N(C)C 665546621 409878863 /nfs/dbraw/zinc/87/88/63/409878863.db2.gz NLVOAGISCPDZGC-XHNCKOQMSA-N 0 3 184.283 0.709 20 0 ACADHN C[C@H]1[C@H](C)CCN1C(=O)CNC1CC1 380728357 409879153 /nfs/dbraw/zinc/87/91/53/409879153.db2.gz HSDVOLXVLHIDNS-BDAKNGLRSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@@H]1CCN(C(=O)CNC2CC2)[C@@H]1C 380728373 409879450 /nfs/dbraw/zinc/87/94/50/409879450.db2.gz HSDVOLXVLHIDNS-RKDXNWHRSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1CCN(C(=O)CNC2CC2)[C@H]1C 380728365 409879813 /nfs/dbraw/zinc/87/98/13/409879813.db2.gz HSDVOLXVLHIDNS-IUCAKERBSA-N 0 3 196.294 0.995 20 0 ACADHN CO[C@@H](CNC(=O)[C@H](C)N)C(C)C 381146357 409879826 /nfs/dbraw/zinc/87/98/26/409879826.db2.gz KMTALOMWXPYUIH-YUMQZZPRSA-N 0 3 188.271 0.121 20 0 ACADHN CO[C@H](CNC(=O)[C@@H](C)N)C(C)C 381146317 409879859 /nfs/dbraw/zinc/87/98/59/409879859.db2.gz KMTALOMWXPYUIH-HTQZYQBOSA-N 0 3 188.271 0.121 20 0 ACADHN CO[C@@H](CNC(=O)[C@@H](C)N)C(C)C 381146355 409880100 /nfs/dbraw/zinc/88/01/00/409880100.db2.gz KMTALOMWXPYUIH-SFYZADRCSA-N 0 3 188.271 0.121 20 0 ACADHN CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 665669640 409882801 /nfs/dbraw/zinc/88/28/01/409882801.db2.gz APDDZCCLTVEEDE-OPRDCNLKSA-N 0 3 196.294 0.853 20 0 ACADHN CCN1CC[C@H](NC(=O)CC2CC2)C1 665669359 409882872 /nfs/dbraw/zinc/88/28/72/409882872.db2.gz SVPMDJNUJPTZED-JTQLQIEISA-N 0 3 196.294 0.997 20 0 ACADHN CCN1CC[C@@H](NC(=O)CC2CC2)C1 665669360 409882926 /nfs/dbraw/zinc/88/29/26/409882926.db2.gz SVPMDJNUJPTZED-SNVBAGLBSA-N 0 3 196.294 0.997 20 0 ACADHN CCN1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 665669146 409883022 /nfs/dbraw/zinc/88/30/22/409883022.db2.gz APDDZCCLTVEEDE-GUBZILKMSA-N 0 3 196.294 0.853 20 0 ACADHN CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 665669147 409883171 /nfs/dbraw/zinc/88/31/71/409883171.db2.gz APDDZCCLTVEEDE-KXUCPTDWSA-N 0 3 196.294 0.853 20 0 ACADHN CCN1CC[C@@H](NC(=O)[C@H]2C[C@@H]2C)C1 665669591 409883496 /nfs/dbraw/zinc/88/34/96/409883496.db2.gz APDDZCCLTVEEDE-AEJSXWLSSA-N 0 3 196.294 0.853 20 0 ACADHN CCN(CC)CC(=O)N[C@@H](C)CF 381910399 409885295 /nfs/dbraw/zinc/88/52/95/409885295.db2.gz GLAWOYKHVJCPDZ-QMMMGPOBSA-N 0 3 190.262 0.802 20 0 ACADHN CCN(CC)CC(=O)N1CCC1 381920779 409885916 /nfs/dbraw/zinc/88/59/16/409885916.db2.gz KYXXZTKACDUOHD-UHFFFAOYSA-N 0 3 170.256 0.561 20 0 ACADHN CCc1nocc1CNC[C@@H](C)CO 382043291 409887663 /nfs/dbraw/zinc/88/76/63/409887663.db2.gz YIUKRDVUEFLBSV-MRVPVSSYSA-N 0 3 198.266 0.955 20 0 ACADHN CC[C@H](O)CNC(COC)COC 384934896 409918437 /nfs/dbraw/zinc/91/84/37/409918437.db2.gz IBGCWNMLDYHSDG-VIFPVBQESA-N 0 3 191.271 0.008 20 0 ACADHN CCc1nocc1CNC[C@H](C)CO 382043308 409888809 /nfs/dbraw/zinc/88/88/09/409888809.db2.gz YIUKRDVUEFLBSV-QMMMGPOBSA-N 0 3 198.266 0.955 20 0 ACADHN CC[C@@H](N)C(=O)N(C)C(C)(C)C 382165794 409892936 /nfs/dbraw/zinc/89/29/36/409892936.db2.gz VHCQHYAERACRFD-SSDOTTSWSA-N 0 3 172.272 0.981 20 0 ACADHN CC[C@H](N)C(=O)N(C)C(C)(C)C 382165795 409893408 /nfs/dbraw/zinc/89/34/08/409893408.db2.gz VHCQHYAERACRFD-ZETCQYMHSA-N 0 3 172.272 0.981 20 0 ACADHN CCN(Cc1cnc[nH]1)[C@@H](C)CO 382165202 409894482 /nfs/dbraw/zinc/89/44/82/409894482.db2.gz UQGPOINKESWZPS-QMMMGPOBSA-N 0 3 183.255 0.612 20 0 ACADHN C[C@@H]1C[C@H]1C(=O)NCCN(C)C 382285326 409900282 /nfs/dbraw/zinc/90/02/82/409900282.db2.gz JSRULFYUJKXEFE-HTQZYQBOSA-N 0 3 170.256 0.320 20 0 ACADHN Cc1nocc1CNC[C@H](C)CO 382381716 409902234 /nfs/dbraw/zinc/90/22/34/409902234.db2.gz JOIURAYNUJJJML-ZETCQYMHSA-N 0 3 184.239 0.701 20 0 ACADHN Cc1nocc1CNC[C@@H](C)CO 382381715 409902454 /nfs/dbraw/zinc/90/24/54/409902454.db2.gz JOIURAYNUJJJML-SSDOTTSWSA-N 0 3 184.239 0.701 20 0 ACADHN C[C@H]1C[C@@H]1C(=O)NCCN(C)C 382382171 409903001 /nfs/dbraw/zinc/90/30/01/409903001.db2.gz JSRULFYUJKXEFE-YUMQZZPRSA-N 0 3 170.256 0.320 20 0 ACADHN CCc1nocc1CNCCCO 382364085 409904234 /nfs/dbraw/zinc/90/42/34/409904234.db2.gz ASFJCHLOCWRPKY-UHFFFAOYSA-N 0 3 184.239 0.709 20 0 ACADHN CC(=O)CN(C)[C@H](C)C(C)(C)O 382816003 409906340 /nfs/dbraw/zinc/90/63/40/409906340.db2.gz TUNQAJNFEVRDNL-MRVPVSSYSA-N 0 3 173.256 0.667 20 0 ACADHN CC(=O)CN(C)[C@@H](C)C(C)(C)O 382816004 409907304 /nfs/dbraw/zinc/90/73/04/409907304.db2.gz TUNQAJNFEVRDNL-QMMMGPOBSA-N 0 3 173.256 0.667 20 0 ACADHN CC[C@](C)(N)c1cn(C[C@H](C)O)nn1 384193833 409910097 /nfs/dbraw/zinc/91/00/97/409910097.db2.gz IJUYPAJDYDMFMS-CBAPKCEASA-N 0 3 198.270 0.243 20 0 ACADHN CC[C@](C)(N)c1cn(C[C@@H](C)O)nn1 384193832 409910538 /nfs/dbraw/zinc/91/05/38/409910538.db2.gz IJUYPAJDYDMFMS-APPZFPTMSA-N 0 3 198.270 0.243 20 0 ACADHN CC[C@@](C)(N)c1cn(C[C@H](C)O)nn1 384193834 409911431 /nfs/dbraw/zinc/91/14/31/409911431.db2.gz IJUYPAJDYDMFMS-IONNQARKSA-N 0 3 198.270 0.243 20 0 ACADHN CC[C@@](C)(N)c1cn(C[C@@H](C)O)nn1 384193835 409911750 /nfs/dbraw/zinc/91/17/50/409911750.db2.gz IJUYPAJDYDMFMS-VXNVDRBHSA-N 0 3 198.270 0.243 20 0 ACADHN CC[C@@H](O)CNC(COC)COC 384934895 409919595 /nfs/dbraw/zinc/91/95/95/409919595.db2.gz IBGCWNMLDYHSDG-SECBINFHSA-N 0 3 191.271 0.008 20 0 ACADHN CNCC(=O)N(C)[C@H](C)C1(C)CC1 385416774 409928669 /nfs/dbraw/zinc/92/86/69/409928669.db2.gz YXCAUHAXVZHOCT-MRVPVSSYSA-N 0 3 184.283 0.853 20 0 ACADHN CNCC(=O)N(C)[C@@H](C)C1(C)CC1 385416775 409928772 /nfs/dbraw/zinc/92/87/72/409928772.db2.gz YXCAUHAXVZHOCT-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN CNCC(=O)N(CC(F)F)C1CC1 386500738 409936819 /nfs/dbraw/zinc/93/68/19/409936819.db2.gz ATHOFIDKRIIFTI-UHFFFAOYSA-N 0 3 192.209 0.462 20 0 ACADHN CC[C@H](N)C(=O)N(CC)CC(F)F 386541525 409937037 /nfs/dbraw/zinc/93/70/37/409937037.db2.gz JMVPYJUVHAALOT-LURJTMIESA-N 0 3 194.225 0.837 20 0 ACADHN C[C@@H](N)C(=O)N(CC(F)F)C1CC1 386516284 409937376 /nfs/dbraw/zinc/93/73/76/409937376.db2.gz DJKKNBCOMPOBFF-RXMQYKEDSA-N 0 3 192.209 0.590 20 0 ACADHN CCN(CC(F)F)C(=O)[C@@H](C)N 386558243 409937533 /nfs/dbraw/zinc/93/75/33/409937533.db2.gz NIWXRMWCMXGNGZ-RXMQYKEDSA-N 0 3 180.198 0.447 20 0 ACADHN CC[C@@H](N)C(=O)N(CC)CC(F)F 386541529 409937744 /nfs/dbraw/zinc/93/77/44/409937744.db2.gz JMVPYJUVHAALOT-ZCFIWIBFSA-N 0 3 194.225 0.837 20 0 ACADHN NCC(=O)N(CC(F)F)C1CC1 386594435 409937922 /nfs/dbraw/zinc/93/79/22/409937922.db2.gz VUYJWHHMDARAOO-UHFFFAOYSA-N 0 3 178.182 0.201 20 0 ACADHN CCN(CC(F)F)C(=O)[C@H](C)N 386558245 409938012 /nfs/dbraw/zinc/93/80/12/409938012.db2.gz NIWXRMWCMXGNGZ-YFKPBYRVSA-N 0 3 180.198 0.447 20 0 ACADHN CCN(CC(F)F)C(=O)CN 386614272 409938113 /nfs/dbraw/zinc/93/81/13/409938113.db2.gz ZVVVTFWLYBXSKD-UHFFFAOYSA-N 0 3 166.171 0.059 20 0 ACADHN C[C@H](N)C(=O)N(CC(F)F)C1CC1 386516285 409938217 /nfs/dbraw/zinc/93/82/17/409938217.db2.gz DJKKNBCOMPOBFF-YFKPBYRVSA-N 0 3 192.209 0.590 20 0 ACADHN CCN(CC(F)F)C(=O)CNC 386538447 409938332 /nfs/dbraw/zinc/93/83/32/409938332.db2.gz ITWSXQCIWIDBFN-UHFFFAOYSA-N 0 3 180.198 0.319 20 0 ACADHN CCN(CC(F)F)C(=O)C1(N)CC1 386573999 409938699 /nfs/dbraw/zinc/93/86/99/409938699.db2.gz QSQNFQCJKSANPJ-UHFFFAOYSA-N 0 3 192.209 0.591 20 0 ACADHN CCCN(CC(F)F)C(=O)CN 387064079 409942911 /nfs/dbraw/zinc/94/29/11/409942911.db2.gz PPARXODUHZQYIV-UHFFFAOYSA-N 0 3 180.198 0.449 20 0 ACADHN CCCN(CC(F)F)C(=O)[C@H](C)N 387049550 409943126 /nfs/dbraw/zinc/94/31/26/409943126.db2.gz NGULQXMKDYHWPZ-LURJTMIESA-N 0 3 194.225 0.837 20 0 ACADHN CCCN(CC(F)F)C(=O)[C@@H](C)N 387049556 409943565 /nfs/dbraw/zinc/94/35/65/409943565.db2.gz NGULQXMKDYHWPZ-ZCFIWIBFSA-N 0 3 194.225 0.837 20 0 ACADHN CCCN(CC(F)F)C(=O)CNC 387012239 409943867 /nfs/dbraw/zinc/94/38/67/409943867.db2.gz HCJXEMGQVALECY-UHFFFAOYSA-N 0 3 194.225 0.710 20 0 ACADHN CC[C@@H]1C[C@H]1CNCc1cn(C)nn1 387751131 409946123 /nfs/dbraw/zinc/94/61/23/409946123.db2.gz ZBNICTMBTMEHKZ-BDAKNGLRSA-N 0 3 194.282 0.951 20 0 ACADHN CC[C@H](O)CNCC1(F)CC1 388133269 409946416 /nfs/dbraw/zinc/94/64/16/409946416.db2.gz VIQCFXHHKRNUAA-ZETCQYMHSA-N 0 3 161.220 0.849 20 0 ACADHN CC[C@@H]1C[C@H]1CNCc1cnnn1C 387706516 409947149 /nfs/dbraw/zinc/94/71/49/409947149.db2.gz LUPTYTJCIPACKP-BDAKNGLRSA-N 0 3 194.282 0.951 20 0 ACADHN C[C@@H](O)CN(C)CCOC1CCC1 388204742 409950310 /nfs/dbraw/zinc/95/03/10/409950310.db2.gz CTORAESSZWKBLC-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN NC(=O)[C@@H]1CCCN1CCC1CC1 388267955 409951957 /nfs/dbraw/zinc/95/19/57/409951957.db2.gz FYBFBEBJAZASII-VIFPVBQESA-N 0 3 182.267 0.736 20 0 ACADHN NC(=O)[C@H]1CCCN1CCC1CC1 388267954 409952029 /nfs/dbraw/zinc/95/20/29/409952029.db2.gz FYBFBEBJAZASII-SECBINFHSA-N 0 3 182.267 0.736 20 0 ACADHN CCN(C(=O)CNC)C1CCC1 388291451 409952098 /nfs/dbraw/zinc/95/20/98/409952098.db2.gz WIXRGLSYSPDJHT-UHFFFAOYSA-N 0 3 170.256 0.607 20 0 ACADHN CCOCCCCNC(=O)[C@H](C)N 388367940 409954299 /nfs/dbraw/zinc/95/42/99/409954299.db2.gz ACYIBOUHJZAQAN-QMMMGPOBSA-N 0 3 188.271 0.267 20 0 ACADHN CCOCCCCNC(=O)[C@@H](C)N 388367938 409954317 /nfs/dbraw/zinc/95/43/17/409954317.db2.gz ACYIBOUHJZAQAN-MRVPVSSYSA-N 0 3 188.271 0.267 20 0 ACADHN CC[C@H](O)CNCc1cc(C)[nH]n1 388585047 409957441 /nfs/dbraw/zinc/95/74/41/409957441.db2.gz HKGQXJPRTPEYJL-VIFPVBQESA-N 0 3 183.255 0.579 20 0 ACADHN CC[C@H](O)CNCc1cc(C)n[nH]1 388585047 409957446 /nfs/dbraw/zinc/95/74/46/409957446.db2.gz HKGQXJPRTPEYJL-VIFPVBQESA-N 0 3 183.255 0.579 20 0 ACADHN CC[C@@H]1CCC[C@H]1NC(=O)CNC 388582808 409957510 /nfs/dbraw/zinc/95/75/10/409957510.db2.gz GDBJJJWVGGPTFL-RKDXNWHRSA-N 0 3 184.283 0.901 20 0 ACADHN CC[C@H]1CCC[C@@H]1NC(=O)CNC 388582807 409958614 /nfs/dbraw/zinc/95/86/14/409958614.db2.gz GDBJJJWVGGPTFL-IUCAKERBSA-N 0 3 184.283 0.901 20 0 ACADHN CC[C@H]1CCC[C@H]1NC(=O)CNC 388582806 409958746 /nfs/dbraw/zinc/95/87/46/409958746.db2.gz GDBJJJWVGGPTFL-DTWKUNHWSA-N 0 3 184.283 0.901 20 0 ACADHN CC[C@@H]1CCC[C@@H]1NC(=O)CNC 388582805 409959047 /nfs/dbraw/zinc/95/90/47/409959047.db2.gz GDBJJJWVGGPTFL-BDAKNGLRSA-N 0 3 184.283 0.901 20 0 ACADHN COCCCC(=O)NCCN(C)C 388589931 409959165 /nfs/dbraw/zinc/95/91/65/409959165.db2.gz ABYDEQIQGPUVKI-UHFFFAOYSA-N 0 3 188.271 0.091 20 0 ACADHN CCN(CC(=O)NC)C1CCCC1 388621007 409959948 /nfs/dbraw/zinc/95/99/48/409959948.db2.gz HDJUJSZDTYOFLF-UHFFFAOYSA-N 0 3 184.283 0.997 20 0 ACADHN C[C@@H](CNC(=O)C1CCC1)N(C)C 388630520 409960642 /nfs/dbraw/zinc/96/06/42/409960642.db2.gz KUXMQCVHIDTBGT-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN C[C@H](CNC(=O)C1CCC1)N(C)C 388630519 409961030 /nfs/dbraw/zinc/96/10/30/409961030.db2.gz KUXMQCVHIDTBGT-MRVPVSSYSA-N 0 3 184.283 0.853 20 0 ACADHN CNCC(=O)N(C(C)C)C1CCC1 388837925 409963324 /nfs/dbraw/zinc/96/33/24/409963324.db2.gz TXHMCZISAKDGLZ-UHFFFAOYSA-N 0 3 184.283 0.995 20 0 ACADHN COCC(C)(C)NCc1n[nH]c(C)n1 389254882 409968230 /nfs/dbraw/zinc/96/82/30/409968230.db2.gz DOIOSVJOACCBTL-UHFFFAOYSA-N 0 3 198.270 0.628 20 0 ACADHN CCCCNC(=O)[C@@H]1NCC1(C)C 389343486 409970028 /nfs/dbraw/zinc/97/00/28/409970028.db2.gz ZDQSOTFYKLIZNJ-QMMMGPOBSA-N 0 3 184.283 0.901 20 0 ACADHN CN(Cc1ccon1)C(=O)C(C)(C)N 389574362 409970058 /nfs/dbraw/zinc/97/00/58/409970058.db2.gz CEPWFPJHMLCFAJ-UHFFFAOYSA-N 0 3 197.238 0.370 20 0 ACADHN CCCCNC(=O)[C@H]1NCC1(C)C 389343485 409970128 /nfs/dbraw/zinc/97/01/28/409970128.db2.gz ZDQSOTFYKLIZNJ-MRVPVSSYSA-N 0 3 184.283 0.901 20 0 ACADHN CCCC[C@H](COC)NC(=O)CN 389369847 409970736 /nfs/dbraw/zinc/97/07/36/409970736.db2.gz XBXGLCLQYHCACR-MRVPVSSYSA-N 0 3 188.271 0.267 20 0 ACADHN CCCC[C@@H](COC)NC(=O)CN 389369848 409971480 /nfs/dbraw/zinc/97/14/80/409971480.db2.gz XBXGLCLQYHCACR-QMMMGPOBSA-N 0 3 188.271 0.267 20 0 ACADHN CN(CC1CC1)C(=O)[C@H]1NCC1(C)C 389944992 409973538 /nfs/dbraw/zinc/97/35/38/409973538.db2.gz QHKAJLSOSAIRMC-SECBINFHSA-N 0 3 196.294 0.853 20 0 ACADHN O=C(CNC1CC1)NC1(C2CC2)CC1 389901459 409973828 /nfs/dbraw/zinc/97/38/28/409973828.db2.gz DJFGNIZREFSHFM-UHFFFAOYSA-N 0 3 194.278 0.797 20 0 ACADHN CN(CC1CC1)C(=O)[C@@H]1NCC1(C)C 389944993 409974163 /nfs/dbraw/zinc/97/41/63/409974163.db2.gz QHKAJLSOSAIRMC-VIFPVBQESA-N 0 3 196.294 0.853 20 0 ACADHN CC(C)CC1(CNC(=O)CN)CC1 392098087 409976277 /nfs/dbraw/zinc/97/62/77/409976277.db2.gz XIHJMBUHFACWSM-UHFFFAOYSA-N 0 3 184.283 0.888 20 0 ACADHN Cc1cc(CNC[C@H](C)O)ccn1 391223352 409976683 /nfs/dbraw/zinc/97/66/83/409976683.db2.gz XKHCHNYDHIMKJV-VIFPVBQESA-N 0 3 180.251 0.860 20 0 ACADHN Cc1cc(CNCCC(N)=O)ccn1 391188021 409977145 /nfs/dbraw/zinc/97/71/45/409977145.db2.gz UCTHOAAVIAIDQP-UHFFFAOYSA-N 0 3 193.250 0.355 20 0 ACADHN Cc1cc(CNC[C@@H](C)O)ccn1 391223351 409977699 /nfs/dbraw/zinc/97/76/99/409977699.db2.gz XKHCHNYDHIMKJV-SECBINFHSA-N 0 3 180.251 0.860 20 0 ACADHN NCC(=O)NCC1(C2CC2)CCC1 393355380 409981212 /nfs/dbraw/zinc/98/12/12/409981212.db2.gz PCCRNAZNKGEVSC-UHFFFAOYSA-N 0 3 182.267 0.642 20 0 ACADHN C[C@H]1C[C@H]1C(=O)NCCN(C)C 393368779 409981456 /nfs/dbraw/zinc/98/14/56/409981456.db2.gz JSRULFYUJKXEFE-JGVFFNPUSA-N 0 3 170.256 0.320 20 0 ACADHN C[C@@H]1C[C@@H]1C(=O)NCCN(C)C 393368782 409982821 /nfs/dbraw/zinc/98/28/21/409982821.db2.gz JSRULFYUJKXEFE-SFYZADRCSA-N 0 3 170.256 0.320 20 0 ACADHN Cc1nocc1CNC[C@@H](C)O 393494470 409983865 /nfs/dbraw/zinc/98/38/65/409983865.db2.gz WSWLOMPARILJBC-ZCFIWIBFSA-N 0 3 170.212 0.453 20 0 ACADHN CCCN(CC(N)=O)CC1(C)CC1 393550281 409987659 /nfs/dbraw/zinc/98/76/59/409987659.db2.gz PHHJRYWWOGITKW-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN O=C([O-])CCCN1C[C@@H]2C[NH2+]C[C@H]2C1 308486506 600225296 /nfs/dbraw/zinc/22/52/96/600225296.db2.gz ADJNPAZUVLJVLL-IUCAKERBSA-N 0 3 198.266 0.002 20 0 ACADHN O=C([O-])CCCN1C[C@@H]2C[NH2+]C[C@@H]2C1 308486503 600225231 /nfs/dbraw/zinc/22/52/31/600225231.db2.gz ADJNPAZUVLJVLL-DTORHVGOSA-N 0 3 198.266 0.002 20 0 ACADHN O=C([O-])CCCN1C[C@H]2C[NH2+]C[C@@H]2C1 308486508 600225383 /nfs/dbraw/zinc/22/53/83/600225383.db2.gz ADJNPAZUVLJVLL-RKDXNWHRSA-N 0 3 198.266 0.002 20 0 ACADHN COc1nccc(CNC(C)C)n1 395127029 410002498 /nfs/dbraw/zinc/00/24/98/410002498.db2.gz OSYOWSMEOWEEBM-UHFFFAOYSA-N 0 3 181.239 0.983 20 0 ACADHN CCCNCc1ccnc(OC)n1 395122328 410002632 /nfs/dbraw/zinc/00/26/32/410002632.db2.gz LPIIBSBUDGRFMZ-UHFFFAOYSA-N 0 3 181.239 0.985 20 0 ACADHN CO[C@@H]1CN(CCCCF)C[C@H]1O 395316526 410005355 /nfs/dbraw/zinc/00/53/55/410005355.db2.gz JEJNHZRIZJFEQO-RKDXNWHRSA-N 0 3 191.246 0.428 20 0 ACADHN CC[C@@H](CN(C)CCO)OC 397077065 410010573 /nfs/dbraw/zinc/01/05/73/410010573.db2.gz DESVDVZBXUZYEP-QMMMGPOBSA-N 0 3 161.245 0.336 20 0 ACADHN CC[C@@H](CN(CCO)C1CC1)OC 397082081 410011717 /nfs/dbraw/zinc/01/17/17/410011717.db2.gz GLPUITBHHZHLMX-JTQLQIEISA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H](CN(CCO)C1CC1)OC 397082085 410012446 /nfs/dbraw/zinc/01/24/46/410012446.db2.gz GLPUITBHHZHLMX-SNVBAGLBSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H](CN(C)CCO)OC 397077062 410012668 /nfs/dbraw/zinc/01/26/68/410012668.db2.gz DESVDVZBXUZYEP-MRVPVSSYSA-N 0 3 161.245 0.336 20 0 ACADHN COC[C@H](NC(=O)C1(N)CC1)C1CC1 397330694 410013603 /nfs/dbraw/zinc/01/36/03/410013603.db2.gz WSRGUIAYUUTKEU-QMMMGPOBSA-N 0 3 198.266 0.019 20 0 ACADHN COC[C@@H](NC(=O)C1(N)CC1)C1CC1 397330693 410013696 /nfs/dbraw/zinc/01/36/96/410013696.db2.gz WSRGUIAYUUTKEU-MRVPVSSYSA-N 0 3 198.266 0.019 20 0 ACADHN CC[C@H](N)C(=O)NCc1ncoc1C 397856705 410016726 /nfs/dbraw/zinc/01/67/26/410016726.db2.gz BMQUFNPSTYGACF-ZETCQYMHSA-N 0 3 197.238 0.337 20 0 ACADHN C[C@@H](CCC1CC1)NC(=O)CN 398116057 410019388 /nfs/dbraw/zinc/01/93/88/410019388.db2.gz PBYSRBGOHHBFJZ-ZETCQYMHSA-N 0 3 170.256 0.640 20 0 ACADHN CNCC(=O)N[C@@H](C)CCC1CC1 398116074 410020135 /nfs/dbraw/zinc/02/01/35/410020135.db2.gz PCNNGWWDTDVIFZ-QMMMGPOBSA-N 0 3 184.283 0.901 20 0 ACADHN CC[C@@H](N)C(=O)NCc1ncoc1C 398045611 410020191 /nfs/dbraw/zinc/02/01/91/410020191.db2.gz BMQUFNPSTYGACF-SSDOTTSWSA-N 0 3 197.238 0.337 20 0 ACADHN COC[C@H](NCc1cn[nH]n1)C(C)C 398355620 410020764 /nfs/dbraw/zinc/02/07/64/410020764.db2.gz HTQRXFCMGPMOFC-VIFPVBQESA-N 0 3 198.270 0.565 20 0 ACADHN CNCC(=O)N[C@H](C)CCC1CC1 398116072 410020830 /nfs/dbraw/zinc/02/08/30/410020830.db2.gz PCNNGWWDTDVIFZ-MRVPVSSYSA-N 0 3 184.283 0.901 20 0 ACADHN C[C@H](CCC1CC1)NC(=O)CN 398116056 410021496 /nfs/dbraw/zinc/02/14/96/410021496.db2.gz PBYSRBGOHHBFJZ-SSDOTTSWSA-N 0 3 170.256 0.640 20 0 ACADHN COC[C@@H](NCc1cn[nH]n1)C(C)C 398355619 410022008 /nfs/dbraw/zinc/02/20/08/410022008.db2.gz HTQRXFCMGPMOFC-SECBINFHSA-N 0 3 198.270 0.565 20 0 ACADHN N[C@@H](C(=O)NCC1CC1)C1CCC1 399107997 410022749 /nfs/dbraw/zinc/02/27/49/410022749.db2.gz YKXSPQSBSRQIHS-SECBINFHSA-N 0 3 182.267 0.640 20 0 ACADHN CC[C@H](O)CCCNC(=O)[C@@H](C)N 398619333 410022899 /nfs/dbraw/zinc/02/28/99/410022899.db2.gz USDWZHAMCCNUEB-SFYZADRCSA-N 0 3 188.271 0.001 20 0 ACADHN C[C@@H]1C[C@@H]1CNC(=O)[C@H](N)C1CCC1 399129437 410022973 /nfs/dbraw/zinc/02/29/73/410022973.db2.gz MIBCWWHOILYGFL-SZEHBUNVSA-N 0 3 196.294 0.886 20 0 ACADHN C[C@@H]1C[C@H]1CNC(=O)[C@H](N)C1CCC1 399129434 410023067 /nfs/dbraw/zinc/02/30/67/410023067.db2.gz MIBCWWHOILYGFL-FKTZTGRPSA-N 0 3 196.294 0.886 20 0 ACADHN CN(CC1CC1)C(=O)[C@@H](N)C1CCC1 399138077 410023258 /nfs/dbraw/zinc/02/32/58/410023258.db2.gz SLXIIXJPJUQJKE-JTQLQIEISA-N 0 3 196.294 0.982 20 0 ACADHN CCCN(C)C(=O)[C@H](N)C1CCC1 399000255 410023317 /nfs/dbraw/zinc/02/33/17/410023317.db2.gz CHCMVMFDCFSAAG-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN N[C@H](C(=O)NCC(F)F)C1CCC1 399129068 410023335 /nfs/dbraw/zinc/02/33/35/410023335.db2.gz MGPDKIUSVRJZJU-ZETCQYMHSA-N 0 3 192.209 0.495 20 0 ACADHN CC[C@@H](O)CCCNC(=O)[C@H](C)N 398619330 410023362 /nfs/dbraw/zinc/02/33/62/410023362.db2.gz USDWZHAMCCNUEB-JGVFFNPUSA-N 0 3 188.271 0.001 20 0 ACADHN CC(C)CNC(=O)[C@H](N)C1CCC1 399078967 410023456 /nfs/dbraw/zinc/02/34/56/410023456.db2.gz PAIOUSNLDQGLNA-SECBINFHSA-N 0 3 184.283 0.886 20 0 ACADHN CC[C@H](O)CCCNC(=O)[C@H](C)N 398619334 410023612 /nfs/dbraw/zinc/02/36/12/410023612.db2.gz USDWZHAMCCNUEB-YUMQZZPRSA-N 0 3 188.271 0.001 20 0 ACADHN CC(C)CNC(=O)[C@@H](N)C1CCC1 399078968 410023695 /nfs/dbraw/zinc/02/36/95/410023695.db2.gz PAIOUSNLDQGLNA-VIFPVBQESA-N 0 3 184.283 0.886 20 0 ACADHN C[C@@H]1C[C@H]1CNC(=O)[C@@H](N)C1CCC1 399129435 410023803 /nfs/dbraw/zinc/02/38/03/410023803.db2.gz MIBCWWHOILYGFL-JEZHCXPESA-N 0 3 196.294 0.886 20 0 ACADHN CCN(CC)C(=O)[C@@H](N)C1CCC1 399106830 410023974 /nfs/dbraw/zinc/02/39/74/410023974.db2.gz YAMYYKPJAIWYQJ-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN CN(CC1CC1)C(=O)[C@H](N)C1CCC1 399138079 410024078 /nfs/dbraw/zinc/02/40/78/410024078.db2.gz SLXIIXJPJUQJKE-SNVBAGLBSA-N 0 3 196.294 0.982 20 0 ACADHN CCCNC(=O)[C@@H](N)C1CCC1 399072911 410024232 /nfs/dbraw/zinc/02/42/32/410024232.db2.gz MKNSPFMXFKCJRL-QMMMGPOBSA-N 0 3 170.256 0.640 20 0 ACADHN N[C@H](C(=O)NCC1CC1)C1CCC1 399108001 410024245 /nfs/dbraw/zinc/02/42/45/410024245.db2.gz YKXSPQSBSRQIHS-VIFPVBQESA-N 0 3 182.267 0.640 20 0 ACADHN C[C@@H]1C[C@@H]1CNC(=O)[C@@H](N)C1CCC1 399129436 410024452 /nfs/dbraw/zinc/02/44/52/410024452.db2.gz MIBCWWHOILYGFL-QNSHHTMESA-N 0 3 196.294 0.886 20 0 ACADHN CCCN(C)C(=O)[C@@H](N)C1CCC1 399000257 410024635 /nfs/dbraw/zinc/02/46/35/410024635.db2.gz CHCMVMFDCFSAAG-VIFPVBQESA-N 0 3 184.283 0.982 20 0 ACADHN CCN(CC)C(=O)[C@H](N)C1CCC1 399106828 410024922 /nfs/dbraw/zinc/02/49/22/410024922.db2.gz YAMYYKPJAIWYQJ-SECBINFHSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@@H](O)CCCNC(=O)[C@@H](C)N 398619328 410024978 /nfs/dbraw/zinc/02/49/78/410024978.db2.gz USDWZHAMCCNUEB-HTQZYQBOSA-N 0 3 188.271 0.001 20 0 ACADHN CCCNC(=O)[C@H](N)C1CCC1 399072910 410025061 /nfs/dbraw/zinc/02/50/61/410025061.db2.gz MKNSPFMXFKCJRL-MRVPVSSYSA-N 0 3 170.256 0.640 20 0 ACADHN N[C@@H](C(=O)NCC(F)F)C1CCC1 399129065 410025178 /nfs/dbraw/zinc/02/51/78/410025178.db2.gz MGPDKIUSVRJZJU-SSDOTTSWSA-N 0 3 192.209 0.495 20 0 ACADHN Cc1cccc(CCN(C)CCO)n1 399800567 410030521 /nfs/dbraw/zinc/03/05/21/410030521.db2.gz PZCNOZPDPOMZJM-UHFFFAOYSA-N 0 3 194.278 0.857 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H]1CO[C@@H](C)C1 402315315 410034692 /nfs/dbraw/zinc/03/46/92/410034692.db2.gz LOEOVGRMWIBEON-FXQIFTODSA-N 0 3 186.255 0.017 20 0 ACADHN CC[C@H](N)C(=O)N[C@H]1CO[C@@H](C)C1 402315321 410034992 /nfs/dbraw/zinc/03/49/92/410034992.db2.gz LOEOVGRMWIBEON-RNJXMRFFSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@@H]1C[C@@H](NC(=O)CNC2CC2)CO1 402360042 410035126 /nfs/dbraw/zinc/03/51/26/410035126.db2.gz VFIOPBIDRDOHSV-VXNVDRBHSA-N 0 3 198.266 0.032 20 0 ACADHN C[C@@H]1C[C@H](NC(=O)CNC2CC2)CO1 402360037 410035528 /nfs/dbraw/zinc/03/55/28/410035528.db2.gz VFIOPBIDRDOHSV-APPZFPTMSA-N 0 3 198.266 0.032 20 0 ACADHN C[C@H]1C[C@@H](NC(=O)CNC2CC2)CO1 402360041 410035622 /nfs/dbraw/zinc/03/56/22/410035622.db2.gz VFIOPBIDRDOHSV-IONNQARKSA-N 0 3 198.266 0.032 20 0 ACADHN CC[C@@H](N)C(=O)N[C@H]1CO[C@@H](C)C1 402315324 410035821 /nfs/dbraw/zinc/03/58/21/410035821.db2.gz LOEOVGRMWIBEON-XLPZGREQSA-N 0 3 186.255 0.017 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H]1CO[C@@H](C)C1 402315307 410035939 /nfs/dbraw/zinc/03/59/39/410035939.db2.gz LOEOVGRMWIBEON-BIIVOSGPSA-N 0 3 186.255 0.017 20 0 ACADHN C[C@H]1C[C@H](NC(=O)CNC2CC2)CO1 402360039 410036003 /nfs/dbraw/zinc/03/60/03/410036003.db2.gz VFIOPBIDRDOHSV-CBAPKCEASA-N 0 3 198.266 0.032 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H]1CO[C@H](C)C1 402315317 410036117 /nfs/dbraw/zinc/03/61/17/410036117.db2.gz LOEOVGRMWIBEON-GJMOJQLCSA-N 0 3 186.255 0.017 20 0 ACADHN CC[C@H](N)C(=O)N[C@H]1CO[C@H](C)C1 402315319 410036325 /nfs/dbraw/zinc/03/63/25/410036325.db2.gz LOEOVGRMWIBEON-PRJMDXOYSA-N 0 3 186.255 0.017 20 0 ACADHN CC[C@@H](N)C(=O)N[C@H]1CO[C@H](C)C1 402315309 410036437 /nfs/dbraw/zinc/03/64/37/410036437.db2.gz LOEOVGRMWIBEON-BWZBUEFSSA-N 0 3 186.255 0.017 20 0 ACADHN CC[C@H](N)C(=O)N[C@@H]1CO[C@H](C)C1 402315312 410036571 /nfs/dbraw/zinc/03/65/71/410036571.db2.gz LOEOVGRMWIBEON-CSMHCCOUSA-N 0 3 186.255 0.017 20 0 ACADHN Cc1cncc(CCN(C)CCO)n1 402900855 410037727 /nfs/dbraw/zinc/03/77/27/410037727.db2.gz HESZDPFYYFXWLE-UHFFFAOYSA-N 0 3 195.266 0.252 20 0 ACADHN CC[C@@H]1CN(CCCO)[C@H](C)CO1 403961949 410039326 /nfs/dbraw/zinc/03/93/26/410039326.db2.gz RYQDSYSWFUVHMU-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H]1CN(C[C@H](C)O)[C@@H](C)CO1 403740990 410039353 /nfs/dbraw/zinc/03/93/53/410039353.db2.gz DJJZKCHWVBOLDP-GUBZILKMSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H]1CN(C[C@@H](C)O)[C@H](C)CO1 403740988 410039491 /nfs/dbraw/zinc/03/94/91/410039491.db2.gz DJJZKCHWVBOLDP-BBBLOLIVSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H]1CN(C[C@H](C)O)[C@H](C)CO1 403741398 410039592 /nfs/dbraw/zinc/03/95/92/410039592.db2.gz DJJZKCHWVBOLDP-UTLUCORTSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H]1COC(C)(C)CN1CCO 403870056 410039643 /nfs/dbraw/zinc/03/96/43/410039643.db2.gz YOGVNKGUYCZFLF-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H]1CN(C[C@H](C)O)[C@H](C)CO1 403741393 410039997 /nfs/dbraw/zinc/03/99/97/410039997.db2.gz DJJZKCHWVBOLDP-KXUCPTDWSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H]1CN(C[C@@H](C)O)[C@@H](C)CO1 403740991 410040064 /nfs/dbraw/zinc/04/00/64/410040064.db2.gz DJJZKCHWVBOLDP-IVZWLZJFSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H]1CN(CCO)[C@H](CC)CO1 403795630 410040177 /nfs/dbraw/zinc/04/01/77/410040177.db2.gz ZRJMSNWYQNQBOE-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H]1CN(CCCO)[C@@H](C)CO1 403961951 410040196 /nfs/dbraw/zinc/04/01/96/410040196.db2.gz RYQDSYSWFUVHMU-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H]1CN(C[C@@H](C)O)[C@H](C)CO1 403741397 410040224 /nfs/dbraw/zinc/04/02/24/410040224.db2.gz DJJZKCHWVBOLDP-OPRDCNLKSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H]1CN(CCCO)[C@@H](C)CO1 403961950 410040267 /nfs/dbraw/zinc/04/02/67/410040267.db2.gz RYQDSYSWFUVHMU-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H]1CO[C@H](CC)CN1CCO 403795632 410040396 /nfs/dbraw/zinc/04/03/96/410040396.db2.gz ZRJMSNWYQNQBOE-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H]1CN(CCCO)[C@H](C)CO1 403961952 410040512 /nfs/dbraw/zinc/04/05/12/410040512.db2.gz RYQDSYSWFUVHMU-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H]1CN(C[C@@H](C)O)[C@@H](C)CO1 403740987 410040592 /nfs/dbraw/zinc/04/05/92/410040592.db2.gz DJJZKCHWVBOLDP-AEJSXWLSSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H]1CN(C[C@H](C)O)[C@@H](C)CO1 403741395 410040607 /nfs/dbraw/zinc/04/06/07/410040607.db2.gz DJJZKCHWVBOLDP-LPEHRKFASA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H]1COC(C)(C)CN1CCO 403870058 410040640 /nfs/dbraw/zinc/04/06/40/410040640.db2.gz YOGVNKGUYCZFLF-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H]1CN(CCO)[C@@H](CC)CO1 403795631 410040553 /nfs/dbraw/zinc/04/05/53/410040553.db2.gz ZRJMSNWYQNQBOE-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H]1CN(CCO)[C@H](CC)CO1 403795634 410040834 /nfs/dbraw/zinc/04/08/34/410040834.db2.gz ZRJMSNWYQNQBOE-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN CC(C)O[C@H]1CCCN(CCO)C1 404494046 410042112 /nfs/dbraw/zinc/04/21/12/410042112.db2.gz ZOVWXDIKFBICFS-JTQLQIEISA-N 0 3 187.283 0.868 20 0 ACADHN CC(C)O[C@@H]1CCCN(CCO)C1 404494047 410042464 /nfs/dbraw/zinc/04/24/64/410042464.db2.gz ZOVWXDIKFBICFS-SNVBAGLBSA-N 0 3 187.283 0.868 20 0 ACADHN CC(C)[C@H](N)C(=O)Nc1ccsn1 575556434 410100858 /nfs/dbraw/zinc/10/08/58/410100858.db2.gz CBERNVVQGBLNPH-ZETCQYMHSA-N 0 3 199.279 1.065 20 0 ACADHN CC(C)[C@@H](N)C(=O)Nc1ccsn1 575556431 410100409 /nfs/dbraw/zinc/10/04/09/410100409.db2.gz CBERNVVQGBLNPH-SSDOTTSWSA-N 0 3 199.279 1.065 20 0 ACADHN CC(C)(N)C(=O)Nc1ccsn1 575556327 410100616 /nfs/dbraw/zinc/10/06/16/410100616.db2.gz ASSGTNPBOOISCO-UHFFFAOYSA-N 0 3 185.252 0.819 20 0 ACADHN CC[C@@H](N)C(=O)Nc1ccsn1 575556893 410100702 /nfs/dbraw/zinc/10/07/02/410100702.db2.gz DXUVKHZACCIWES-RXMQYKEDSA-N 0 3 185.252 0.819 20 0 ACADHN CC[C@H](N)C(=O)Nc1ccsn1 575556894 410101038 /nfs/dbraw/zinc/10/10/38/410101038.db2.gz DXUVKHZACCIWES-YFKPBYRVSA-N 0 3 185.252 0.819 20 0 ACADHN CCN1CCC(c2nnc(N)o2)CC1 639725125 410154311 /nfs/dbraw/zinc/15/43/11/410154311.db2.gz JZOIENXEYNURCA-UHFFFAOYSA-N 0 3 196.254 0.851 20 0 ACADHN Cc1cncnc1NCCN(C)C 641252043 410156026 /nfs/dbraw/zinc/15/60/26/410156026.db2.gz HZQOEAHAVYGQGA-UHFFFAOYSA-N 0 3 180.255 0.759 20 0 ACADHN CCCN[C@H](C)C(=O)Nc1cc[nH]n1 645733547 410165950 /nfs/dbraw/zinc/16/59/50/410165950.db2.gz CRZKWDBKCYAKOZ-SSDOTTSWSA-N 0 3 196.254 0.736 20 0 ACADHN CCCN[C@@H](C)C(=O)Nc1cc[nH]n1 645733553 410166167 /nfs/dbraw/zinc/16/61/67/410166167.db2.gz CRZKWDBKCYAKOZ-ZETCQYMHSA-N 0 3 196.254 0.736 20 0 ACADHN CCCN(C(C)=O)[C@@H]1CCN(C)C1 649004966 410171956 /nfs/dbraw/zinc/17/19/56/410171956.db2.gz LQNXJEITYFZKEQ-SNVBAGLBSA-N 0 3 184.283 0.949 20 0 ACADHN CCCN(C(C)=O)[C@H]1CCN(C)C1 649004965 410172080 /nfs/dbraw/zinc/17/20/80/410172080.db2.gz LQNXJEITYFZKEQ-JTQLQIEISA-N 0 3 184.283 0.949 20 0 ACADHN c1[nH]nnc1CN1C2CCC1CC2 649242788 410179272 /nfs/dbraw/zinc/17/92/72/410179272.db2.gz RGCFJZRLQUKMKO-UHFFFAOYSA-N 0 3 178.239 0.932 20 0 ACADHN CC(C)CN(C)Cc1c[nH]nn1 649258688 410179347 /nfs/dbraw/zinc/17/93/47/410179347.db2.gz GZSQHARDNDCIPD-UHFFFAOYSA-N 0 3 168.244 0.893 20 0 ACADHN CCc1cc(N(C)CC(N)=O)ccn1 649243185 410179610 /nfs/dbraw/zinc/17/96/10/410179610.db2.gz MHNXSEYCIZDAPH-UHFFFAOYSA-N 0 3 193.250 0.566 20 0 ACADHN CN(Cc1c[nH]nn1)CC1CC1 649250044 410180653 /nfs/dbraw/zinc/18/06/53/410180653.db2.gz HIDRIBXXCOORSA-UHFFFAOYSA-N 0 3 166.228 0.647 20 0 ACADHN C[C@H](O)CCN1CCOC[C@H]1C1CC1 649401932 410192234 /nfs/dbraw/zinc/19/22/34/410192234.db2.gz OBUDISGUJZFURA-ONGXEEELSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@@H](O)CCN1CCOC[C@H]1C1CC1 649401930 410193385 /nfs/dbraw/zinc/19/33/85/410193385.db2.gz OBUDISGUJZFURA-KOLCDFICSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@H](O)CCN1CCOC[C@@H]1C1CC1 649401929 410193524 /nfs/dbraw/zinc/19/35/24/410193524.db2.gz OBUDISGUJZFURA-GXSJLCMTSA-N 0 3 199.294 0.868 20 0 ACADHN C[C@@H](O)CCN1CCOC[C@@H]1C1CC1 649401931 410193716 /nfs/dbraw/zinc/19/37/16/410193716.db2.gz OBUDISGUJZFURA-MWLCHTKSSA-N 0 3 199.294 0.868 20 0 ACADHN C1=CCN(C[C@@H]2COCCO2)CC1 649417278 410196751 /nfs/dbraw/zinc/19/67/51/410196751.db2.gz PDGDVKJKSRRZIQ-SNVBAGLBSA-N 0 3 183.251 0.664 20 0 ACADHN C1=CCN(C[C@H]2COCCO2)CC1 649417277 410197948 /nfs/dbraw/zinc/19/79/48/410197948.db2.gz PDGDVKJKSRRZIQ-JTQLQIEISA-N 0 3 183.251 0.664 20 0 ACADHN C[C@@H](O)CCN(C)C1CC(O)C1 649441152 410201950 /nfs/dbraw/zinc/20/19/50/410201950.db2.gz IAENFGYVOLLYAA-AFPNSQJFSA-N 0 3 173.256 0.212 20 0 ACADHN C[C@H](O)CCN(C)C1CC(O)C1 649441153 410202102 /nfs/dbraw/zinc/20/21/02/410202102.db2.gz IAENFGYVOLLYAA-UEJVZZJDSA-N 0 3 173.256 0.212 20 0 ACADHN C[C@@H]1CN(C[C@H]2CCCN2C)CCO1 649472066 410207466 /nfs/dbraw/zinc/20/74/66/410207466.db2.gz ANQYGNHIPDPEJE-GHMZBOCLSA-N 0 3 198.310 0.801 20 0 ACADHN C[C@H]1CN(C[C@H]2CCCN2C)CCO1 649472069 410208191 /nfs/dbraw/zinc/20/81/91/410208191.db2.gz ANQYGNHIPDPEJE-WDEREUQCSA-N 0 3 198.310 0.801 20 0 ACADHN CN(CCN1CCCCC1)C(N)=O 649499613 410209720 /nfs/dbraw/zinc/20/97/20/410209720.db2.gz CNECJNDMSJIRRX-UHFFFAOYSA-N 0 3 185.271 0.483 20 0 ACADHN CNC(=O)N(C)CCN1CCCCC1 649499999 410210747 /nfs/dbraw/zinc/21/07/47/410210747.db2.gz REBRBVDWEJKYJF-UHFFFAOYSA-N 0 3 199.298 0.744 20 0 ACADHN CC1=CCN(C[C@@H]2CCC(=O)N2)CC1 649568277 410214524 /nfs/dbraw/zinc/21/45/24/410214524.db2.gz VMMNNEBNWXUVGV-JTQLQIEISA-N 0 3 194.278 0.917 20 0 ACADHN CC1=CCCN(C[C@@H]2CCC(=O)N2)C1 649596980 410217951 /nfs/dbraw/zinc/21/79/51/410217951.db2.gz QXJXBODYYCSVGP-JTQLQIEISA-N 0 3 194.278 0.917 20 0 ACADHN CC(C)N(C[C@H](C)CO)C1COC1 649694130 410225620 /nfs/dbraw/zinc/22/56/20/410225620.db2.gz TYFYACGXJWVKPB-VIFPVBQESA-N 0 3 187.283 0.724 20 0 ACADHN CC(C)N(CCCCO)C1COC1 649694091 410225981 /nfs/dbraw/zinc/22/59/81/410225981.db2.gz SIAYAWDRXBONEN-UHFFFAOYSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H](O)CN(C(C)C)C1COC1 649694066 410226129 /nfs/dbraw/zinc/22/61/29/410226129.db2.gz MISSCNYTMYHEJK-JTQLQIEISA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@@H](O)CN(C(C)C)C1COC1 649694067 410226196 /nfs/dbraw/zinc/22/61/96/410226196.db2.gz MISSCNYTMYHEJK-SNVBAGLBSA-N 0 3 187.283 0.867 20 0 ACADHN CC(C)N(C[C@H](C)O)C1COC1 649694133 410226459 /nfs/dbraw/zinc/22/64/59/410226459.db2.gz VZEOGHKXBFEXNZ-QMMMGPOBSA-N 0 3 173.256 0.476 20 0 ACADHN CC(C)N(C[C@@H](C)O)C1COC1 649694132 410226671 /nfs/dbraw/zinc/22/66/71/410226671.db2.gz VZEOGHKXBFEXNZ-MRVPVSSYSA-N 0 3 173.256 0.476 20 0 ACADHN CC(C)N(C[C@@H](C)CO)C1COC1 649694129 410226704 /nfs/dbraw/zinc/22/67/04/410226704.db2.gz TYFYACGXJWVKPB-SECBINFHSA-N 0 3 187.283 0.724 20 0 ACADHN CN(CCC1CC1)C(C)(C)C(N)=O 649709770 410227631 /nfs/dbraw/zinc/22/76/31/410227631.db2.gz OLQRBCSDAVEZBE-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN CN(CCCCF)C(C)(C)C(N)=O 649711266 410229504 /nfs/dbraw/zinc/22/95/04/410229504.db2.gz WIVOMLKVQDOPIL-UHFFFAOYSA-N 0 3 190.262 0.932 20 0 ACADHN CN(CC1CCC1)C(C)(C)C(N)=O 649709785 410230221 /nfs/dbraw/zinc/23/02/21/410230221.db2.gz ZXIAJJIODVQMGE-UHFFFAOYSA-N 0 3 184.283 0.982 20 0 ACADHN CC(C)CN(C)C(C)(C)C(N)=O 649708441 410230270 /nfs/dbraw/zinc/23/02/70/410230270.db2.gz QRWTYTUECHNMSW-UHFFFAOYSA-N 0 3 172.272 0.838 20 0 ACADHN CCCN(C)C(C)(C)C(N)=O 649709119 410230342 /nfs/dbraw/zinc/23/03/42/410230342.db2.gz YWIDGQINNXOAGF-UHFFFAOYSA-N 0 3 158.245 0.592 20 0 ACADHN CN(CC1CC1)C(C)(C)C(N)=O 649709767 410230429 /nfs/dbraw/zinc/23/04/29/410230429.db2.gz KSKAHWPWOVYRRN-UHFFFAOYSA-N 0 3 170.256 0.592 20 0 ACADHN CN(C)C(=O)CNC1(C2CCC2)CC1 649806255 410236415 /nfs/dbraw/zinc/23/64/15/410236415.db2.gz PXPNIJCKWHQXCD-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN NC(=O)CNC1(C2CCC2)CC1 649807221 410237413 /nfs/dbraw/zinc/23/74/13/410237413.db2.gz NYMQSCJGCUFPEO-UHFFFAOYSA-N 0 3 168.240 0.394 20 0 ACADHN CNC(=O)CNC1(C2CCC2)CC1 649807468 410237593 /nfs/dbraw/zinc/23/75/93/410237593.db2.gz VMQZMZLRPXXWGE-UHFFFAOYSA-N 0 3 182.267 0.655 20 0 ACADHN C[C@H](CCO)N(C)Cc1cnc[nH]1 649869936 410243368 /nfs/dbraw/zinc/24/33/68/410243368.db2.gz QGMGXQHQMJULSG-MRVPVSSYSA-N 0 3 183.255 0.612 20 0 ACADHN C[C@@H](CCO)N(C)Cc1cnc[nH]1 649869937 410243812 /nfs/dbraw/zinc/24/38/12/410243812.db2.gz QGMGXQHQMJULSG-QMMMGPOBSA-N 0 3 183.255 0.612 20 0 ACADHN C[C@@H](CCO)N(C)CCn1cccn1 649867057 410244749 /nfs/dbraw/zinc/24/47/49/410244749.db2.gz DGEDRINZVUQQJX-JTQLQIEISA-N 0 3 197.282 0.586 20 0 ACADHN C[C@H](CCO)N(C)CCn1cccn1 649867058 410244327 /nfs/dbraw/zinc/24/43/27/410244327.db2.gz DGEDRINZVUQQJX-SNVBAGLBSA-N 0 3 197.282 0.586 20 0 ACADHN C[C@@H](CCO)N(C)Cc1cnn(C)c1 649867098 410244487 /nfs/dbraw/zinc/24/44/87/410244487.db2.gz DTPYGDOWBDGNTL-VIFPVBQESA-N 0 3 197.282 0.623 20 0 ACADHN C[C@H](CCO)N(C)Cc1cnn(C)c1 649867097 410245119 /nfs/dbraw/zinc/24/51/19/410245119.db2.gz DTPYGDOWBDGNTL-SECBINFHSA-N 0 3 197.282 0.623 20 0 ACADHN CC(=O)N1[C@H](C)CN(C)[C@@H](C)[C@H]1C 650146166 410255914 /nfs/dbraw/zinc/25/59/14/410255914.db2.gz YGXBGRWTGKAESN-HRDYMLBCSA-N 0 3 184.283 0.946 20 0 ACADHN CC(=O)N1[C@@H](C)[C@H](C)N(C)C[C@H]1C 650146168 410256838 /nfs/dbraw/zinc/25/68/38/410256838.db2.gz YGXBGRWTGKAESN-VGMNWLOBSA-N 0 3 184.283 0.946 20 0 ACADHN CC(=O)N1[C@H](C)CN(C)[C@H](C)[C@H]1C 650146167 410257162 /nfs/dbraw/zinc/25/71/62/410257162.db2.gz YGXBGRWTGKAESN-IWSPIJDZSA-N 0 3 184.283 0.946 20 0 ACADHN CC(=O)N1[C@@H](C)[C@@H](C)N(C)C[C@H]1C 650146165 410257195 /nfs/dbraw/zinc/25/71/95/410257195.db2.gz YGXBGRWTGKAESN-HLTSFMKQSA-N 0 3 184.283 0.946 20 0 ACADHN CCO[C@@H]1COC[C@H]1NCCCF 650241569 410259531 /nfs/dbraw/zinc/25/95/31/410259531.db2.gz RGICGNAQUKOCGF-RKDXNWHRSA-N 0 3 191.246 0.740 20 0 ACADHN Cc1noc([C@H](N)CCN(C)C)n1 650224589 410259806 /nfs/dbraw/zinc/25/98/06/410259806.db2.gz RJFNJEUHRWDUMQ-SSDOTTSWSA-N 0 3 184.243 0.330 20 0 ACADHN Cc1noc([C@@H](N)CCN(C)C)n1 650224590 410260148 /nfs/dbraw/zinc/26/01/48/410260148.db2.gz RJFNJEUHRWDUMQ-ZETCQYMHSA-N 0 3 184.243 0.330 20 0 ACADHN CCO[C@@H]1COC[C@H]1NCCOC 650239767 410260780 /nfs/dbraw/zinc/26/07/80/410260780.db2.gz SYSZKCIIEIJIFH-RKDXNWHRSA-N 0 3 189.255 0.026 20 0 ACADHN C[C@@H]1[C@H](O)CCN1CCOCC1CC1 650187832 410261332 /nfs/dbraw/zinc/26/13/32/410261332.db2.gz CFRLIPOOJGDCER-MWLCHTKSSA-N 0 3 199.294 0.868 20 0 ACADHN CC(C)NCCS(=O)(=O)C(C)C 81981258 572012216 /nfs/dbraw/zinc/01/22/16/572012216.db2.gz NRJZWVUJUXJHQD-UHFFFAOYSA-N 0 3 193.312 0.808 20 0 ACADHN OC1(CNCc2c[nH]cn2)CCCC1 82687481 572086641 /nfs/dbraw/zinc/08/66/41/572086641.db2.gz IWFCBARFVCRENI-UHFFFAOYSA-N 0 3 195.266 0.804 20 0 ACADHN OC1(CNCc2cnc[nH]2)CCCC1 82687481 572086644 /nfs/dbraw/zinc/08/66/44/572086644.db2.gz IWFCBARFVCRENI-UHFFFAOYSA-N 0 3 195.266 0.804 20 0 ACADHN C[C@H]1CCn2cc(CN)nc2C1 49804840 572811367 /nfs/dbraw/zinc/81/13/67/572811367.db2.gz TVTMFDAUHYLGNY-ZETCQYMHSA-N 0 3 165.240 0.924 20 0 ACADHN OCC1(CNCc2c[nH]cn2)CCC1 308519556 573226206 /nfs/dbraw/zinc/22/62/06/573226206.db2.gz QQQWMHDFYODVBZ-UHFFFAOYSA-N 0 3 195.266 0.662 20 0 ACADHN OCC1(CNCc2cnc[nH]2)CCC1 308519556 573226211 /nfs/dbraw/zinc/22/62/11/573226211.db2.gz QQQWMHDFYODVBZ-UHFFFAOYSA-N 0 3 195.266 0.662 20 0 ACADHN COC(CN(C)CC[C@H](C)O)OC 125949765 573230389 /nfs/dbraw/zinc/23/03/89/573230389.db2.gz ULXWXBBPNIDBAA-QMMMGPOBSA-N 0 3 191.271 0.308 20 0 ACADHN CC(C)CCOCCN(C)CCO 50104654 573230551 /nfs/dbraw/zinc/23/05/51/573230551.db2.gz LNZMFLPQVYFESY-UHFFFAOYSA-N 0 3 189.299 0.973 20 0 ACADHN C[C@H](N)C(=O)N(C)Cc1cccn1C 393621027 573247654 /nfs/dbraw/zinc/24/76/54/573247654.db2.gz SFWLASINUDGCOY-QMMMGPOBSA-N 0 3 195.266 0.331 20 0 ACADHN c1nc(CNCCc2cn[nH]c2)c[nH]1 308523287 573247796 /nfs/dbraw/zinc/24/77/96/573247796.db2.gz PUMBSVGFSCKKGC-UHFFFAOYSA-N 0 3 191.238 0.465 20 0 ACADHN c1ncc(CNCCc2cn[nH]c2)[nH]1 308523287 573247802 /nfs/dbraw/zinc/24/78/02/573247802.db2.gz PUMBSVGFSCKKGC-UHFFFAOYSA-N 0 3 191.238 0.465 20 0 ACADHN CN(Cc1cscn1)C(=O)CN 42868644 573274360 /nfs/dbraw/zinc/27/43/60/573274360.db2.gz FJRTWTNHGTULJX-UHFFFAOYSA-N 0 3 185.252 0.060 20 0 ACADHN Cc1cc(CNCC[C@H](C)O)n[nH]1 308339937 573274818 /nfs/dbraw/zinc/27/48/18/573274818.db2.gz QKNQFJSDTBWLNJ-QMMMGPOBSA-N 0 3 183.255 0.579 20 0 ACADHN Cc1cc(CNCC[C@H](C)O)[nH]n1 308339937 573274821 /nfs/dbraw/zinc/27/48/21/573274821.db2.gz QKNQFJSDTBWLNJ-QMMMGPOBSA-N 0 3 183.255 0.579 20 0 ACADHN N[C@H](CC1CC1)C(=O)NC1CCC1 393581839 573291780 /nfs/dbraw/zinc/29/17/80/573291780.db2.gz JGKSRLMMONWNHU-SECBINFHSA-N 0 3 182.267 0.783 20 0 ACADHN CCNC(=O)CNC[C@@H]1CCC=CO1 50267950 573334727 /nfs/dbraw/zinc/33/47/27/573334727.db2.gz WXGYXYVMSMVFGO-VIFPVBQESA-N 0 3 198.266 0.405 20 0 ACADHN CN(C)C(=O)CNC[C@H]1CCC=CO1 50267885 573338341 /nfs/dbraw/zinc/33/83/41/573338341.db2.gz OVXOIAKOILNLAI-SECBINFHSA-N 0 3 198.266 0.357 20 0 ACADHN CCN1CC[C@H](N(C)C(C)=O)C1 143668960 573347516 /nfs/dbraw/zinc/34/75/16/573347516.db2.gz HGIGUKLXGWHMDO-VIFPVBQESA-N 0 3 170.256 0.559 20 0 ACADHN CCN1CC[C@@H](N(C)C(C)=O)C1 143669172 573347906 /nfs/dbraw/zinc/34/79/06/573347906.db2.gz HGIGUKLXGWHMDO-SECBINFHSA-N 0 3 170.256 0.559 20 0 ACADHN C[C@@H](CCO)NC[C@H](O)c1ccco1 132904719 573348298 /nfs/dbraw/zinc/34/82/98/573348298.db2.gz KQXPPLAGZNNEFG-IUCAKERBSA-N 0 3 199.250 0.674 20 0 ACADHN C[C@H](O)CN(C)C[C@@H]1CCC=CO1 308365552 573370417 /nfs/dbraw/zinc/37/04/17/573370417.db2.gz HIWKYYXLABQRIA-UWVGGRQHSA-N 0 3 185.267 0.992 20 0 ACADHN Cc1cc(CN[C@@H](C)CCO)n(C)n1 133046575 573371481 /nfs/dbraw/zinc/37/14/81/573371481.db2.gz GAVYFAJTCIHFBI-QMMMGPOBSA-N 0 3 197.282 0.589 20 0 ACADHN CC[C@@H](CO)NCc1cnc(C)cn1 308572497 573398136 /nfs/dbraw/zinc/39/81/36/573398136.db2.gz CLAIEKVJGFQDBI-VIFPVBQESA-N 0 3 195.266 0.646 20 0 ACADHN c1nc2c([nH]1)[C@H]([C@@H]1CCOC1)NCC2 257810541 573406908 /nfs/dbraw/zinc/40/69/08/573406908.db2.gz ALGHWGJCKVJPOE-APPZFPTMSA-N 0 3 193.250 0.633 20 0 ACADHN c1nc2c([nH]1)[C@@H]([C@H]1CCOC1)NCC2 257810543 573406401 /nfs/dbraw/zinc/40/64/01/573406401.db2.gz ALGHWGJCKVJPOE-IONNQARKSA-N 0 3 193.250 0.633 20 0 ACADHN c1nc2c([nH]1)[C@H]([C@H]1CCOC1)NCC2 257810542 573406488 /nfs/dbraw/zinc/40/64/88/573406488.db2.gz ALGHWGJCKVJPOE-CBAPKCEASA-N 0 3 193.250 0.633 20 0 ACADHN CC[C@](C)(O)CNCc1cn(C)cn1 308574408 573406640 /nfs/dbraw/zinc/40/66/40/573406640.db2.gz LWWSRKRLXDQMQF-JTQLQIEISA-N 0 3 197.282 0.671 20 0 ACADHN C[C@@H]1CN(C(=O)NC2CC2)[C@H](C)CN1 83118472 573406661 /nfs/dbraw/zinc/40/66/61/573406661.db2.gz LVUSLUBZQOICTC-HTQZYQBOSA-N 0 3 197.282 0.541 20 0 ACADHN COC(CN(C)C(C)(C)CO)OC 133542512 573412638 /nfs/dbraw/zinc/41/26/38/573412638.db2.gz KZQCINADZGOEQD-UHFFFAOYSA-N 0 3 191.271 0.308 20 0 ACADHN C[C@H]1C[C@@H]([C@H](N)C(N)=O)CC[C@H]1C 83144483 573423700 /nfs/dbraw/zinc/42/37/00/573423700.db2.gz VWNOQLIKUQZYJU-XGEHTFHBSA-N 0 3 184.283 0.871 20 0 ACADHN CC(C)NCC(=O)NCCC(F)F 308381684 573420704 /nfs/dbraw/zinc/42/07/04/573420704.db2.gz QRODLVUXKLDXES-UHFFFAOYSA-N 0 3 194.225 0.756 20 0 ACADHN CC(C)=CC[C@@H](N)C(N)=O 83144830 573423726 /nfs/dbraw/zinc/42/37/26/573423726.db2.gz KNJMIVHAIOTUGI-ZCFIWIBFSA-N 0 3 142.202 0.155 20 0 ACADHN NC(=O)[C@H](N)CC1CCCC1 83144443 573423835 /nfs/dbraw/zinc/42/38/35/573423835.db2.gz PHDRCZGSPWYSET-SSDOTTSWSA-N 0 3 156.229 0.379 20 0 ACADHN CC[C@@H](C)C[C@@H](N)C(N)=O 83144524 573423939 /nfs/dbraw/zinc/42/39/39/573423939.db2.gz INMLFLYDBXKXKZ-PHDIDXHHSA-N 0 3 144.218 0.235 20 0 ACADHN CC1CCC([C@@H](N)C(N)=O)CC1 83144673 573424197 /nfs/dbraw/zinc/42/41/97/573424197.db2.gz DXVWEUYYADFORE-KAVNDROISA-N 0 3 170.256 0.625 20 0 ACADHN NC(=O)[C@@H](N)CC1CCCC1 83144441 573424259 /nfs/dbraw/zinc/42/42/59/573424259.db2.gz PHDRCZGSPWYSET-ZETCQYMHSA-N 0 3 156.229 0.379 20 0 ACADHN CO[C@@H]1CCC[C@H]([C@H](N)C(N)=O)C1 83144479 573425094 /nfs/dbraw/zinc/42/50/94/573425094.db2.gz VOILNQALAIKTHT-RNJXMRFFSA-N 0 3 186.255 0.004 20 0 ACADHN C[C@@H]1CCC[C@H]([C@H](N)C(N)=O)C1 83144661 573425116 /nfs/dbraw/zinc/42/51/16/573425116.db2.gz BERMKDJKJVXDOA-CSMHCCOUSA-N 0 3 170.256 0.625 20 0 ACADHN Cc1ccccc1C[C@@H](N)C(N)=O 83144778 573425277 /nfs/dbraw/zinc/42/52/77/573425277.db2.gz BWXLNFDLPZLSTA-SECBINFHSA-N 0 3 178.235 0.350 20 0 ACADHN Cc1ccccc1C[C@H](N)C(N)=O 83144776 573425287 /nfs/dbraw/zinc/42/52/87/573425287.db2.gz BWXLNFDLPZLSTA-VIFPVBQESA-N 0 3 178.235 0.350 20 0 ACADHN CC(C)[C@H](N)C(=O)NCCC(F)F 308391727 573472982 /nfs/dbraw/zinc/47/29/82/573472982.db2.gz YQXRNHDZKRKAKH-ZETCQYMHSA-N 0 3 194.225 0.741 20 0 ACADHN CC(C)[C@@H](N)C(=O)NCCC(F)F 308391722 573474289 /nfs/dbraw/zinc/47/42/89/573474289.db2.gz YQXRNHDZKRKAKH-SSDOTTSWSA-N 0 3 194.225 0.741 20 0 ACADHN C[C@H](CO)NCc1ccc(F)nc1 308391121 573474543 /nfs/dbraw/zinc/47/45/43/573474543.db2.gz YIIRUOUYZAIJNC-SSDOTTSWSA-N 0 3 184.214 0.691 20 0 ACADHN Cc1cc([C@@H](C)NC[C@H](C)O)n(C)n1 308595214 573479714 /nfs/dbraw/zinc/47/97/14/573479714.db2.gz MDSAINIWWCCWBY-DTWKUNHWSA-N 0 3 197.282 0.760 20 0 ACADHN C[C@H](O)CNC[C@H](O)c1cccnc1 308597151 573485230 /nfs/dbraw/zinc/48/52/30/573485230.db2.gz ZKECPGFYCDGUGN-WPRPVWTQSA-N 0 3 196.250 0.085 20 0 ACADHN C[C@@H](N)CC(=O)N=c1sccn1C 308603483 573519684 /nfs/dbraw/zinc/51/96/84/573519684.db2.gz BGBUNERLZICMFW-ZCFIWIBFSA-N 0 3 199.279 0.251 20 0 ACADHN O=C(CNC1CC1)N[C@H]1C=CCCC1 308869685 573550119 /nfs/dbraw/zinc/55/01/19/573550119.db2.gz IRKPLKMPOLGIPB-JTQLQIEISA-N 0 3 194.278 0.963 20 0 ACADHN CC(C)(O)[C@H](N)c1cccnc1 75547462 573607285 /nfs/dbraw/zinc/60/72/85/573607285.db2.gz SREXUISZDQPXDG-MRVPVSSYSA-N 0 3 166.224 0.852 20 0 ACADHN CN(C)CC1(NC(=O)C2CC2)CCC1 393544652 573638917 /nfs/dbraw/zinc/63/89/17/573638917.db2.gz IYCZGYXDGCLOCG-UHFFFAOYSA-N 0 3 196.294 0.997 20 0 ACADHN C[C@H](NC1(C(N)=O)CC1)[C@H]1CCOC1 308667311 573668599 /nfs/dbraw/zinc/66/85/99/573668599.db2.gz TUQIGGYHVUPKTG-YUMQZZPRSA-N 0 3 198.266 0.019 20 0 ACADHN COC(=O)N1CCNCC1(C)C 83842584 573682668 /nfs/dbraw/zinc/68/26/68/573682668.db2.gz DDXJRKJQLXZZHE-UHFFFAOYSA-N 0 3 172.228 0.437 20 0 ACADHN C[C@@H]1C[C@H]1CNCCS(C)(=O)=O 130953506 573714672 /nfs/dbraw/zinc/71/46/72/573714672.db2.gz MMGHXXCDTYWODX-SFYZADRCSA-N 0 3 191.296 0.277 20 0 ACADHN C[C@H](N)c1cn([C@H]2CCOC2)nn1 125004996 573739692 /nfs/dbraw/zinc/73/96/92/573739692.db2.gz ABHKFJSKVQDYDW-BQBZGAKWSA-N 0 3 182.227 0.259 20 0 ACADHN CC(C)Cn1cc([C@H](C)N)nn1 125007436 573739022 /nfs/dbraw/zinc/73/90/22/573739022.db2.gz MUVHUQUJJSMPSL-ZETCQYMHSA-N 0 3 168.244 0.954 20 0 ACADHN CCNCC(=O)N(C)CCC1CC1 308427099 573739300 /nfs/dbraw/zinc/73/93/00/573739300.db2.gz XPVKEHRLBJKCSF-UHFFFAOYSA-N 0 3 184.283 0.854 20 0 ACADHN Cc1cc(CNC[C@H](O)C2CC2)n[nH]1 308741583 573782360 /nfs/dbraw/zinc/78/23/60/573782360.db2.gz PADPPSHMAKYFGG-JTQLQIEISA-N 0 3 195.266 0.579 20 0 ACADHN Cc1cc(CNC[C@H](O)C2CC2)[nH]n1 308741583 573782366 /nfs/dbraw/zinc/78/23/66/573782366.db2.gz PADPPSHMAKYFGG-JTQLQIEISA-N 0 3 195.266 0.579 20 0 ACADHN Cc1cc(CNC[C@@H](O)C2CC2)n[nH]1 308741584 573784094 /nfs/dbraw/zinc/78/40/94/573784094.db2.gz PADPPSHMAKYFGG-SNVBAGLBSA-N 0 3 195.266 0.579 20 0 ACADHN Cc1cc(CNC[C@@H](O)C2CC2)[nH]n1 308741584 573784098 /nfs/dbraw/zinc/78/40/98/573784098.db2.gz PADPPSHMAKYFGG-SNVBAGLBSA-N 0 3 195.266 0.579 20 0 ACADHN CCNCC(=O)N(C(C)C)C1CC1 308736912 573784365 /nfs/dbraw/zinc/78/43/65/573784365.db2.gz LWQUZJIUWFKRKN-UHFFFAOYSA-N 0 3 184.283 0.995 20 0 ACADHN CN[C@@H](C)c1nc([C@H]2CCCN2)no1 258135728 573804974 /nfs/dbraw/zinc/80/49/74/573804974.db2.gz VBIOFKUCOMYECX-NKWVEPMBSA-N 0 3 196.254 0.775 20 0 ACADHN Oc1cccc(COC2CNC2)c1 87178551 573813960 /nfs/dbraw/zinc/81/39/60/573813960.db2.gz AAPJDTFJQQQPJY-UHFFFAOYSA-N 0 3 179.219 0.881 20 0 ACADHN CCC[C@H](O)CNCc1n[nH]cc1C 308744239 573814115 /nfs/dbraw/zinc/81/41/15/573814115.db2.gz QOIUECPATLOEDS-VIFPVBQESA-N 0 3 197.282 0.969 20 0 ACADHN Cc1cc(CNCC(C)(C)CO)[nH]n1 308753076 573823268 /nfs/dbraw/zinc/82/32/68/573823268.db2.gz VFYNOLJMDQBBTB-UHFFFAOYSA-N 0 3 197.282 0.826 20 0 ACADHN Cc1cc(CNCC(C)(C)CO)n[nH]1 308753076 573823270 /nfs/dbraw/zinc/82/32/70/573823270.db2.gz VFYNOLJMDQBBTB-UHFFFAOYSA-N 0 3 197.282 0.826 20 0 ACADHN C[C@@H]1C[C@@H]1CNC(=O)[C@H](N)CC1CC1 308445957 573823829 /nfs/dbraw/zinc/82/38/29/573823829.db2.gz AKXSGYYAYWTBGO-SZEHBUNVSA-N 0 3 196.294 0.886 20 0 ACADHN C[C@@H]1C[C@H]1CNC(=O)[C@H](N)CC1CC1 308445953 573826728 /nfs/dbraw/zinc/82/67/28/573826728.db2.gz AKXSGYYAYWTBGO-FKTZTGRPSA-N 0 3 196.294 0.886 20 0 ACADHN CC[C@@H]1C[N@H+](CC(=O)[O-])CC[C@@H]1N 122835591 573831251 /nfs/dbraw/zinc/83/12/51/573831251.db2.gz KDPCNPUXGAQKMK-SFYZADRCSA-N 0 3 186.255 0.130 20 0 ACADHN CC[C@@H]1C[N@@H+](CC(=O)[O-])CC[C@@H]1N 122835591 573831257 /nfs/dbraw/zinc/83/12/57/573831257.db2.gz KDPCNPUXGAQKMK-SFYZADRCSA-N 0 3 186.255 0.130 20 0 ACADHN CC[C@@H]1CN(CC(=O)[O-])CC[C@@H]1[NH3+] 122835591 573831261 /nfs/dbraw/zinc/83/12/61/573831261.db2.gz KDPCNPUXGAQKMK-SFYZADRCSA-N 0 3 186.255 0.130 20 0 ACADHN CC[C@H]1C[N@H+](CC(=O)[O-])CC[C@@H]1N 122835794 573832607 /nfs/dbraw/zinc/83/26/07/573832607.db2.gz KDPCNPUXGAQKMK-YUMQZZPRSA-N 0 3 186.255 0.130 20 0 ACADHN CC[C@H]1C[N@@H+](CC(=O)[O-])CC[C@@H]1N 122835794 573832614 /nfs/dbraw/zinc/83/26/14/573832614.db2.gz KDPCNPUXGAQKMK-YUMQZZPRSA-N 0 3 186.255 0.130 20 0 ACADHN CC[C@H]1CN(CC(=O)[O-])CC[C@@H]1[NH3+] 122835794 573832620 /nfs/dbraw/zinc/83/26/20/573832620.db2.gz KDPCNPUXGAQKMK-YUMQZZPRSA-N 0 3 186.255 0.130 20 0 ACADHN N[C@@H](CC1CC1)C(=O)N[C@H]1CCOC1 308455933 573859335 /nfs/dbraw/zinc/85/93/35/573859335.db2.gz DTRAZVKOGFCQNU-IUCAKERBSA-N 0 3 198.266 0.019 20 0 ACADHN N[C@H](CC1CC1)C(=O)N[C@H]1CCOC1 308455932 573859186 /nfs/dbraw/zinc/85/91/86/573859186.db2.gz DTRAZVKOGFCQNU-DTWKUNHWSA-N 0 3 198.266 0.019 20 0 ACADHN CC(C)C1(O)CN(C[C@@H]2CCOC2)C1 84376698 573861714 /nfs/dbraw/zinc/86/17/14/573861714.db2.gz MZUGGFIKOIHKBP-JTQLQIEISA-N 0 3 199.294 0.726 20 0 ACADHN CC(C)(O)c1cc(N)ccn1 222775615 573884274 /nfs/dbraw/zinc/88/42/74/573884274.db2.gz KSTAACVNVDTPCC-UHFFFAOYSA-N 0 3 152.197 0.891 20 0 ACADHN c1csc(COC2CNC2)n1 87391843 573902915 /nfs/dbraw/zinc/90/29/15/573902915.db2.gz BUVCQZXCMKASNX-UHFFFAOYSA-N 0 3 170.237 0.632 20 0 ACADHN C[C@H]1COC[C@H]1NCc1ccnn1C 687967486 573913844 /nfs/dbraw/zinc/91/38/44/573913844.db2.gz RGRVZRVBLLFCKS-WCBMZHEXSA-N 0 3 195.266 0.545 20 0 ACADHN C[C@H]1COC[C@@H]1NCc1ccnn1C 687967489 573914071 /nfs/dbraw/zinc/91/40/71/573914071.db2.gz RGRVZRVBLLFCKS-WPRPVWTQSA-N 0 3 195.266 0.545 20 0 ACADHN CC[C@H](CO)NCc1cnoc1C 585365124 573946344 /nfs/dbraw/zinc/94/63/44/573946344.db2.gz HHHKTFQANMCERE-SECBINFHSA-N 0 3 184.239 0.844 20 0 ACADHN C/C=C/C(=O)N[C@H]1CN2CCC1CC2 87555468 573948233 /nfs/dbraw/zinc/94/82/33/573948233.db2.gz RPGRBXKSTNVRRC-PBKGFPTLSA-N 0 3 194.278 0.773 20 0 ACADHN COCCN(C[C@@H](C)O)C1CC1 42519146 573966067 /nfs/dbraw/zinc/96/60/67/573966067.db2.gz MOHTVIKCKRZWQA-MRVPVSSYSA-N 0 3 173.256 0.478 20 0 ACADHN C/C=C/C(=O)N[C@H]1CCN(C2CC2)C1 82275388 573995711 /nfs/dbraw/zinc/99/57/11/573995711.db2.gz GIYXNQGDTCCQSS-HPOULIHZSA-N 0 3 194.278 0.915 20 0 ACADHN C[C@H](O)[C@@H]([NH3+])c1cc([O-])cc(F)c1 104492799 574008265 /nfs/dbraw/zinc/00/82/65/574008265.db2.gz WTIWATGLMYUBBD-SSDLBLMSSA-N 0 3 185.198 0.912 20 0 ACADHN C[C@H](O)[C@@H]([NH3+])c1ccc(F)c([O-])c1 104492792 574008384 /nfs/dbraw/zinc/00/83/84/574008384.db2.gz FKBNNJMJRQQBOR-SSDLBLMSSA-N 0 3 185.198 0.912 20 0 ACADHN OC[C@@H]1CCCCN1CCF 87689881 574018579 /nfs/dbraw/zinc/01/85/79/574018579.db2.gz KIOLDSRPJHERMR-QMMMGPOBSA-N 0 3 161.220 0.803 20 0 ACADHN CC(C)N(CCO)CCF 87689945 574019058 /nfs/dbraw/zinc/01/90/58/574019058.db2.gz OXBZHZQNDIRNDW-UHFFFAOYSA-N 0 3 149.209 0.659 20 0 ACADHN c1nc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)c[nH]1 87689791 574019075 /nfs/dbraw/zinc/01/90/75/574019075.db2.gz QJPBWDRFZPNKHN-BBBLOLIVSA-N 0 3 193.250 0.819 20 0 ACADHN c1ncc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)[nH]1 87689791 574019078 /nfs/dbraw/zinc/01/90/78/574019078.db2.gz QJPBWDRFZPNKHN-BBBLOLIVSA-N 0 3 193.250 0.819 20 0 ACADHN OC[C@H]1CCCN1CCF 87689901 574019164 /nfs/dbraw/zinc/01/91/64/574019164.db2.gz XRPVTUDBHHBGBM-SSDOTTSWSA-N 0 3 147.193 0.413 20 0 ACADHN N[C@@H](CO)c1cc(F)cnc1Cl 104504565 574020561 /nfs/dbraw/zinc/02/05/61/574020561.db2.gz GXEXGAJXVTUBBF-LURJTMIESA-N 0 3 190.605 0.866 20 0 ACADHN OC[C@@H]1CCN(CCF)C1 87777054 574033587 /nfs/dbraw/zinc/03/35/87/574033587.db2.gz ZRGJUWIOCWWMPZ-SSDOTTSWSA-N 0 3 147.193 0.270 20 0 ACADHN OC[C@H]1CCN(CCF)C1 87777055 574034082 /nfs/dbraw/zinc/03/40/82/574034082.db2.gz ZRGJUWIOCWWMPZ-ZETCQYMHSA-N 0 3 147.193 0.270 20 0 ACADHN FCCN[C@@H]1CCOC1 87786061 574034566 /nfs/dbraw/zinc/03/45/66/574034566.db2.gz ZZTAJYKCAFQYEO-ZCFIWIBFSA-N 0 3 133.166 0.334 20 0 ACADHN Cc1ncccc1CNC[C@H](C)O 128204317 574034721 /nfs/dbraw/zinc/03/47/21/574034721.db2.gz UPSSJTIDXFIKBC-QMMMGPOBSA-N 0 3 180.251 0.860 20 0 ACADHN CC[C@H](C(=O)NCCOC)N(C)C 388596640 538433882 /nfs/dbraw/zinc/43/38/82/538433882.db2.gz DAWCDHSFCXEZPV-MRVPVSSYSA-N 0 3 188.271 0.089 20 0 ACADHN CC(=O)N1C[C@@H](N)Cc2ccccc21 69731398 519635526 /nfs/dbraw/zinc/63/55/26/519635526.db2.gz WYGHYKSNTJTZBK-JTQLQIEISA-N 0 3 190.246 0.923 20 0 ACADHN CC(=O)N1C[C@H](N)Cc2ccccc21 69731396 519635809 /nfs/dbraw/zinc/63/58/09/519635809.db2.gz WYGHYKSNTJTZBK-SNVBAGLBSA-N 0 3 190.246 0.923 20 0 ACADHN CC(=O)N[C@@H](C)CN1CCCCC1 70226646 519682217 /nfs/dbraw/zinc/68/22/17/519682217.db2.gz HYDGQYSDBQJRCH-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CC(=O)N[C@H]1CCN(C2CC2)C1 70228428 519701279 /nfs/dbraw/zinc/70/12/79/519701279.db2.gz HARJRIHHQUEHSC-QMMMGPOBSA-N 0 3 168.240 0.359 20 0 ACADHN CC(C)NC(=O)N1C[C@H](C)NC[C@@H]1C 83118456 519711224 /nfs/dbraw/zinc/71/12/24/519711224.db2.gz KIQFUSFZNYYFKD-IUCAKERBSA-N 0 3 199.298 0.787 20 0 ACADHN CC(C)NC(=O)N1C[C@H](C)NC[C@H]1C 83118455 519711322 /nfs/dbraw/zinc/71/13/22/519711322.db2.gz KIQFUSFZNYYFKD-DTWKUNHWSA-N 0 3 199.298 0.787 20 0 ACADHN CC(C)[C@@H]1CCCN1C(=O)[C@@H](C)N 82263547 519802459 /nfs/dbraw/zinc/80/24/59/519802459.db2.gz NQYOGGASDBLRCP-BDAKNGLRSA-N 0 3 184.283 0.981 20 0 ACADHN CCC1CCN([C@H](C)C(N)=O)CC1 58002755 519859857 /nfs/dbraw/zinc/85/98/57/519859857.db2.gz GGUDGFRNWBGWID-MRVPVSSYSA-N 0 3 184.283 0.982 20 0 ACADHN CCN(C)C(=O)N1CCCNCC1 85964516 520180895 /nfs/dbraw/zinc/18/08/95/520180895.db2.gz JQXYZJKJYYWNQX-UHFFFAOYSA-N 0 3 185.271 0.353 20 0 ACADHN CCN(C)C(=O)[C@H]1C[C@H](C)CCN1 167388941 520216606 /nfs/dbraw/zinc/21/66/06/520216606.db2.gz VBFKMELMXBKWFD-RKDXNWHRSA-N 0 3 184.283 0.853 20 0 ACADHN CCCOc1cc2c(nn1)CCNC2 306462714 520316806 /nfs/dbraw/zinc/31/68/06/520316806.db2.gz HVOJSKULAASODQ-UHFFFAOYSA-N 0 3 193.250 0.911 20 0 ACADHN CC[C@H]1[NH2+]CC[C@@H]1C(=O)[N-]OC 306610200 629661698 /nfs/dbraw/zinc/66/16/98/629661698.db2.gz BOVGQLBMNMLTPU-NKWVEPMBSA-N 0 3 172.228 0.052 20 0 ACADHN CC[C@@H]1[NH2+]CC[C@H]1C(=O)[N-]OC 306610210 629662499 /nfs/dbraw/zinc/66/24/99/629662499.db2.gz BOVGQLBMNMLTPU-RQJHMYQMSA-N 0 3 172.228 0.052 20 0 ACADHN CC[C@H]1[NH2+]CC[C@H]1C(=O)[N-]OC 306610205 629664053 /nfs/dbraw/zinc/66/40/53/629664053.db2.gz BOVGQLBMNMLTPU-RNFRBKRXSA-N 0 3 172.228 0.052 20 0 ACADHN C[C@H]1C[C@@H](CO)CN(CCF)C1 306689452 629668783 /nfs/dbraw/zinc/66/87/83/629668783.db2.gz OHAGYMZGSJIGSR-DTWKUNHWSA-N 0 3 175.247 0.906 20 0 ACADHN CN(C)C1(C(=O)N2CCC2)CCC1 306702766 629669096 /nfs/dbraw/zinc/66/90/96/629669096.db2.gz AMFLFEACERXJSX-UHFFFAOYSA-N 0 3 182.267 0.703 20 0 ACADHN C[C@@H]1C[C@@H](CO)CN(CCF)C1 306689455 629669189 /nfs/dbraw/zinc/66/91/89/629669189.db2.gz OHAGYMZGSJIGSR-RKDXNWHRSA-N 0 3 175.247 0.906 20 0 ACADHN C[C@@H]1C[C@H](CO)CN(CCF)C1 306689451 629669701 /nfs/dbraw/zinc/66/97/01/629669701.db2.gz OHAGYMZGSJIGSR-BDAKNGLRSA-N 0 3 175.247 0.906 20 0 ACADHN C[C@H]1C[C@H](CO)CN(CCF)C1 306689453 629670905 /nfs/dbraw/zinc/67/09/05/629670905.db2.gz OHAGYMZGSJIGSR-IUCAKERBSA-N 0 3 175.247 0.906 20 0 ACADHN O[C@@H]1CC[C@H]1NCc1ccc(F)nc1 306804649 629679949 /nfs/dbraw/zinc/67/99/49/629679949.db2.gz YGYYUCWRCHYHIZ-RKDXNWHRSA-N 0 3 196.225 0.834 20 0 ACADHN CCNCC(=O)Nc1cnn(C)c1C 306943969 629686198 /nfs/dbraw/zinc/68/61/98/629686198.db2.gz APOOEONQXJISLZ-UHFFFAOYSA-N 0 3 196.254 0.277 20 0 ACADHN C[C@H]1[C@H](C)N(CCF)CCN1C 306389415 629692351 /nfs/dbraw/zinc/69/23/51/629692351.db2.gz WSPVSTQGPMKFIJ-IUCAKERBSA-N 0 3 174.263 0.980 20 0 ACADHN C[C@@H]1[C@@H](C)N(CCF)CCN1C 306389416 629693597 /nfs/dbraw/zinc/69/35/97/629693597.db2.gz WSPVSTQGPMKFIJ-RKDXNWHRSA-N 0 3 174.263 0.980 20 0 ACADHN CN(CC1OCCO1)C1CCC1 306987737 629712628 /nfs/dbraw/zinc/71/26/28/629712628.db2.gz QKZJRSMHFLXZJQ-UHFFFAOYSA-N 0 3 171.240 0.844 20 0 ACADHN Cc1nc([C@H](C)N[C@H]2CCOC2)n[nH]1 307068351 629739309 /nfs/dbraw/zinc/73/93/09/629739309.db2.gz BZLPELGAPJUFGY-XPUUQOCRSA-N 0 3 196.254 0.553 20 0 ACADHN C[C@H](NC1CC1)C(=O)Nc1cc[nH]n1 307029885 629736568 /nfs/dbraw/zinc/73/65/68/629736568.db2.gz JLVCHFDHQQSSQQ-LURJTMIESA-N 0 3 194.238 0.489 20 0 ACADHN C[C@@H](NC1CC1)C(=O)Nc1cc[nH]n1 307029891 629737067 /nfs/dbraw/zinc/73/70/67/629737067.db2.gz JLVCHFDHQQSSQQ-ZCFIWIBFSA-N 0 3 194.238 0.489 20 0 ACADHN Cc1cccc(F)c1CNC(=O)CN 307050896 629740563 /nfs/dbraw/zinc/74/05/63/629740563.db2.gz MEWDLGGSYLIFID-UHFFFAOYSA-N 0 3 196.225 0.709 20 0 ACADHN Cc1nc([C@@H](C)N[C@H]2CCOC2)n[nH]1 307068350 629741292 /nfs/dbraw/zinc/74/12/92/629741292.db2.gz BZLPELGAPJUFGY-SVRRBLITSA-N 0 3 196.254 0.553 20 0 ACADHN C[C@H]1CN(C)[C@H](C)CN1CCF 307213707 629753881 /nfs/dbraw/zinc/75/38/81/629753881.db2.gz YJLGVEWCFBTSLQ-BDAKNGLRSA-N 0 3 174.263 0.980 20 0 ACADHN C[C@H]1CN(CCF)[C@@H](C)CN1C 307213709 629754404 /nfs/dbraw/zinc/75/44/04/629754404.db2.gz YJLGVEWCFBTSLQ-IUCAKERBSA-N 0 3 174.263 0.980 20 0 ACADHN C[C@@H]1CN(CCF)[C@H](C)CN1C 307213710 629754730 /nfs/dbraw/zinc/75/47/30/629754730.db2.gz YJLGVEWCFBTSLQ-RKDXNWHRSA-N 0 3 174.263 0.980 20 0 ACADHN C[C@H]1CN(CCF)[C@H](C)CN1C 307213708 629755703 /nfs/dbraw/zinc/75/57/03/629755703.db2.gz YJLGVEWCFBTSLQ-DTWKUNHWSA-N 0 3 174.263 0.980 20 0 ACADHN CCOc1cc2c(nn1)CCNC2 306364187 520801783 /nfs/dbraw/zinc/80/17/83/520801783.db2.gz DRRVNBJIZCFJIS-UHFFFAOYSA-N 0 3 179.223 0.521 20 0 ACADHN CCNCC(=O)Nc1c(C)noc1C 307460945 629765938 /nfs/dbraw/zinc/76/59/38/629765938.db2.gz FKUGREDVZUWNPJ-UHFFFAOYSA-N 0 3 197.238 0.839 20 0 ACADHN N[C@H](CC1CC1)C(=O)Nc1cc[nH]n1 307512290 629771564 /nfs/dbraw/zinc/77/15/64/629771564.db2.gz XTXYNYZBDMGNBP-SSDOTTSWSA-N 0 3 194.238 0.476 20 0 ACADHN CNC(=O)[C@H]1CCCN(CCF)C1 307582838 629780548 /nfs/dbraw/zinc/78/05/48/629780548.db2.gz WHUQTXVKLMJAKT-QMMMGPOBSA-N 0 3 188.246 0.414 20 0 ACADHN C[C@H]1C[C@@H]1CN1CCCNC(=O)C1 307581395 629782322 /nfs/dbraw/zinc/78/23/22/629782322.db2.gz RAZLRIDZLUGQQA-DTWKUNHWSA-N 0 3 182.267 0.464 20 0 ACADHN C[C@H]1C[C@H]1CN1CCCNC(=O)C1 307581396 629783707 /nfs/dbraw/zinc/78/37/07/629783707.db2.gz RAZLRIDZLUGQQA-IUCAKERBSA-N 0 3 182.267 0.464 20 0 ACADHN C[C@@H]1C[C@H]1CN1CCCNC(=O)C1 307581394 629785547 /nfs/dbraw/zinc/78/55/47/629785547.db2.gz RAZLRIDZLUGQQA-BDAKNGLRSA-N 0 3 182.267 0.464 20 0 ACADHN C[C@@H]1C[C@@H]1CN1CCCNC(=O)C1 307581397 629786572 /nfs/dbraw/zinc/78/65/72/629786572.db2.gz RAZLRIDZLUGQQA-RKDXNWHRSA-N 0 3 182.267 0.464 20 0 ACADHN CC1(C)CCN(Cn2cnnc2)C1 307679253 629801911 /nfs/dbraw/zinc/80/19/11/629801911.db2.gz LYMNJSOFVREYNE-UHFFFAOYSA-N 0 3 180.255 0.968 20 0 ACADHN OCC[C@@H]1CCCN1CCF 307694353 629804342 /nfs/dbraw/zinc/80/43/42/629804342.db2.gz WERGAUXLORWVJL-QMMMGPOBSA-N 0 3 161.220 0.803 20 0 ACADHN CC[C@@H](C)C[C@H](N)C(=O)NC 307699074 629804803 /nfs/dbraw/zinc/80/48/03/629804803.db2.gz JGTQCDJXHDLTQN-RQJHMYQMSA-N 0 3 158.245 0.496 20 0 ACADHN CC[C@@H](C)C[C@@H](N)C(=O)NC 307699073 629805189 /nfs/dbraw/zinc/80/51/89/629805189.db2.gz JGTQCDJXHDLTQN-RNFRBKRXSA-N 0 3 158.245 0.496 20 0 ACADHN CC[C@H](C)C[C@H](N)C(=O)NC 307699071 629805390 /nfs/dbraw/zinc/80/53/90/629805390.db2.gz JGTQCDJXHDLTQN-BQBZGAKWSA-N 0 3 158.245 0.496 20 0 ACADHN OCC[C@H]1CCCN1CCF 307694352 629805641 /nfs/dbraw/zinc/80/56/41/629805641.db2.gz WERGAUXLORWVJL-MRVPVSSYSA-N 0 3 161.220 0.803 20 0 ACADHN CC[C@H](C)C[C@@H](N)C(=O)NC 307699072 629805842 /nfs/dbraw/zinc/80/58/42/629805842.db2.gz JGTQCDJXHDLTQN-NKWVEPMBSA-N 0 3 158.245 0.496 20 0 ACADHN CN(C)CCN(C)C(=O)C(F)F 234243030 629816788 /nfs/dbraw/zinc/81/67/88/629816788.db2.gz FOZWMEQPIKMURT-UHFFFAOYSA-N 0 3 180.198 0.272 20 0 ACADHN CCCN[C@H](C)c1cn(C)nn1 307964002 629827061 /nfs/dbraw/zinc/82/70/61/629827061.db2.gz PHWSFRFWJKVUBQ-SSDOTTSWSA-N 0 3 168.244 0.876 20 0 ACADHN COC(=O)CC(C)(C)NCCF 307992291 629827298 /nfs/dbraw/zinc/82/72/98/629827298.db2.gz UJLGPDVPBCPPJR-UHFFFAOYSA-N 0 3 177.219 0.887 20 0 ACADHN CCONC(=O)N(C)CCN(C)C 308166884 629841846 /nfs/dbraw/zinc/84/18/46/629841846.db2.gz AIABZBJCICRNQV-UHFFFAOYSA-N 0 3 189.259 0.141 20 0 ACADHN N[C@@H](CC1CC1)C(=O)NCC(F)F 308196900 629842916 /nfs/dbraw/zinc/84/29/16/629842916.db2.gz RSCJAGGWKUAEMG-LURJTMIESA-N 0 3 192.209 0.495 20 0 ACADHN CN(C(=O)[C@@H](N)CC1CC1)C1CC1 308198131 629845864 /nfs/dbraw/zinc/84/58/64/629845864.db2.gz SMUSYFDUMYKPHV-VIFPVBQESA-N 0 3 182.267 0.735 20 0 ACADHN Cc1cc([C@H](C)NCCO)n(C)n1 308224084 629848130 /nfs/dbraw/zinc/84/81/30/629848130.db2.gz DFGLPKFRHKTANV-QMMMGPOBSA-N 0 3 183.255 0.371 20 0 ACADHN N[C@@H](CCO)c1ccccn1 75450381 629854278 /nfs/dbraw/zinc/85/42/78/629854278.db2.gz IHEKDUZNUUGMPX-ZETCQYMHSA-N 0 3 152.197 0.464 20 0 ACADHN Cl/C=C\CN1CCc2n[nH]nc2C1 308359819 629860256 /nfs/dbraw/zinc/86/02/56/629860256.db2.gz CVTXCPDWBGTLRL-IWQZZHSRSA-N 0 3 198.657 0.915 20 0 ACADHN CC(C)OCCN1CC[C@H]1CO 934013300 629865612 /nfs/dbraw/zinc/86/56/12/629865612.db2.gz HCCKIBGUDWUPBX-VIFPVBQESA-N 0 3 173.256 0.478 20 0 ACADHN CCOCCN1CC[C@@H]1CO 934014402 629865696 /nfs/dbraw/zinc/86/56/96/629865696.db2.gz MJJFRRQQZFFKKE-MRVPVSSYSA-N 0 3 159.229 0.090 20 0 ACADHN Cn1nccc1CCN1CC[C@H]1CO 934013097 629866328 /nfs/dbraw/zinc/86/63/28/629866328.db2.gz DLUURSDYOMWILA-JTQLQIEISA-N 0 3 195.266 0.029 20 0 ACADHN CC(C)OCCN1CC[C@@H]1CO 934013299 629866361 /nfs/dbraw/zinc/86/63/61/629866361.db2.gz HCCKIBGUDWUPBX-SECBINFHSA-N 0 3 173.256 0.478 20 0 ACADHN OC[C@@H]1CCN1CCc1ccccn1 934010729 629866522 /nfs/dbraw/zinc/86/65/22/629866522.db2.gz GBVNXQQNJADXNB-NSHDSACASA-N 0 3 192.262 0.691 20 0 ACADHN OC[C@H]1CCN1CCc1ccccn1 934010727 629866594 /nfs/dbraw/zinc/86/65/94/629866594.db2.gz GBVNXQQNJADXNB-LLVKDONJSA-N 0 3 192.262 0.691 20 0 ACADHN Cn1nccc1CCN1CC[C@@H]1CO 934013099 629866683 /nfs/dbraw/zinc/86/66/83/629866683.db2.gz DLUURSDYOMWILA-SNVBAGLBSA-N 0 3 195.266 0.029 20 0 ACADHN Cn1cc(CCN2CC[C@@H]2CO)cn1 934012482 629866703 /nfs/dbraw/zinc/86/67/03/629866703.db2.gz BQLKXORKYZBWNC-SNVBAGLBSA-N 0 3 195.266 0.029 20 0 ACADHN Cn1cc(CCN2CC[C@H]2CO)cn1 934012479 629868027 /nfs/dbraw/zinc/86/80/27/629868027.db2.gz BQLKXORKYZBWNC-JTQLQIEISA-N 0 3 195.266 0.029 20 0 ACADHN CC(C)COCCN1CC[C@@H]1CO 934015469 629870689 /nfs/dbraw/zinc/87/06/89/629870689.db2.gz YZEVKLMUDIKIFG-SNVBAGLBSA-N 0 3 187.283 0.726 20 0 ACADHN CCC(=O)CCN1CC[C@H]1CO 934015102 629870765 /nfs/dbraw/zinc/87/07/65/629870765.db2.gz SIWHTOKTROLDNV-QMMMGPOBSA-N 0 3 171.240 0.422 20 0 ACADHN CCCCOCCN1CC[C@H]1CO 934026639 629871064 /nfs/dbraw/zinc/87/10/64/629871064.db2.gz OHIWHJRBKVIBND-JTQLQIEISA-N 0 3 187.283 0.870 20 0 ACADHN CCOCCN1CC[C@H]1CO 934014404 629871519 /nfs/dbraw/zinc/87/15/19/629871519.db2.gz MJJFRRQQZFFKKE-QMMMGPOBSA-N 0 3 159.229 0.090 20 0 ACADHN O=C1OCC[C@@H]1CCN1CC[C@@H]1CO 934024232 629871734 /nfs/dbraw/zinc/87/17/34/629871734.db2.gz BCZCZWSFEWMVMP-DTWKUNHWSA-N 0 3 199.250 0.006 20 0 ACADHN CCC(=O)CCN1CC[C@@H]1CO 934015101 629871797 /nfs/dbraw/zinc/87/17/97/629871797.db2.gz SIWHTOKTROLDNV-MRVPVSSYSA-N 0 3 171.240 0.422 20 0 ACADHN OC[C@@H]1CCN1CCOC1CC1 934016428 629871966 /nfs/dbraw/zinc/87/19/66/629871966.db2.gz VDLPIRHRISNMGL-QMMMGPOBSA-N 0 3 171.240 0.232 20 0 ACADHN CCCCOCCN1CC[C@@H]1CO 934026640 629872007 /nfs/dbraw/zinc/87/20/07/629872007.db2.gz OHIWHJRBKVIBND-SNVBAGLBSA-N 0 3 187.283 0.870 20 0 ACADHN C[C@@H]1CC[C@@H](CN2CC[C@H]2CO)O1 934015391 629872161 /nfs/dbraw/zinc/87/21/61/629872161.db2.gz XHDGZNODANYRRZ-UTLUCORTSA-N 0 3 185.267 0.621 20 0 ACADHN O=C1OCC[C@H]1CCN1CC[C@@H]1CO 934024235 629872216 /nfs/dbraw/zinc/87/22/16/629872216.db2.gz BCZCZWSFEWMVMP-RKDXNWHRSA-N 0 3 199.250 0.006 20 0 ACADHN C[C@@H]1CC[C@@H](CN2CC[C@@H]2CO)O1 934015388 629872334 /nfs/dbraw/zinc/87/23/34/629872334.db2.gz XHDGZNODANYRRZ-BBBLOLIVSA-N 0 3 185.267 0.621 20 0 ACADHN OC[C@H]1CCN1CCOC1CC1 934016427 629872717 /nfs/dbraw/zinc/87/27/17/629872717.db2.gz VDLPIRHRISNMGL-MRVPVSSYSA-N 0 3 171.240 0.232 20 0 ACADHN CC(C)(C)OCCN1CC[C@@H]1CO 934016565 629872905 /nfs/dbraw/zinc/87/29/05/629872905.db2.gz NPYWEWVOUHEYRW-SECBINFHSA-N 0 3 187.283 0.868 20 0 ACADHN O=C1OCC[C@H]1CCN1CC[C@H]1CO 934024230 629873009 /nfs/dbraw/zinc/87/30/09/629873009.db2.gz BCZCZWSFEWMVMP-BDAKNGLRSA-N 0 3 199.250 0.006 20 0 ACADHN CC(C)COCCN1CC[C@H]1CO 934015468 629873242 /nfs/dbraw/zinc/87/32/42/629873242.db2.gz YZEVKLMUDIKIFG-JTQLQIEISA-N 0 3 187.283 0.726 20 0 ACADHN C[C@@H]1CC[C@H](CN2CC[C@H]2CO)O1 934015389 629873340 /nfs/dbraw/zinc/87/33/40/629873340.db2.gz XHDGZNODANYRRZ-KXUCPTDWSA-N 0 3 185.267 0.621 20 0 ACADHN OC[C@H]1CCN1CCc1ccncc1 934015303 629873559 /nfs/dbraw/zinc/87/35/59/629873559.db2.gz WDNORAYMKLEOLU-LLVKDONJSA-N 0 3 192.262 0.691 20 0 ACADHN C[C@@H]1CC[C@H](CN2CC[C@@H]2CO)O1 934015390 629873602 /nfs/dbraw/zinc/87/36/02/629873602.db2.gz XHDGZNODANYRRZ-OPRDCNLKSA-N 0 3 185.267 0.621 20 0 ACADHN CC(C)(C)OCCN1CC[C@H]1CO 934016566 629873649 /nfs/dbraw/zinc/87/36/49/629873649.db2.gz NPYWEWVOUHEYRW-VIFPVBQESA-N 0 3 187.283 0.868 20 0 ACADHN O=C1OCC[C@@H]1CCN1CC[C@H]1CO 934024233 629873713 /nfs/dbraw/zinc/87/37/13/629873713.db2.gz BCZCZWSFEWMVMP-IUCAKERBSA-N 0 3 199.250 0.006 20 0 ACADHN OC[C@@H]1CCN1CCc1ccncc1 934015304 629873735 /nfs/dbraw/zinc/87/37/35/629873735.db2.gz WDNORAYMKLEOLU-NSHDSACASA-N 0 3 192.262 0.691 20 0 ACADHN OC[C@H]1CCN1CCc1cn[nH]c1 934019316 629874523 /nfs/dbraw/zinc/87/45/23/629874523.db2.gz ONJKMESVGHKENF-SECBINFHSA-N 0 3 181.239 0.019 20 0 ACADHN OC[C@H]1CCN1CCOC1CCC1 934017795 629874624 /nfs/dbraw/zinc/87/46/24/629874624.db2.gz HTEMITPQIKYQNI-SECBINFHSA-N 0 3 185.267 0.622 20 0 ACADHN OC[C@@H]1CCN1C[C@@H]1CCCCO1 934023188 629875970 /nfs/dbraw/zinc/87/59/70/629875970.db2.gz CUJJKFVAPPLMIB-UWVGGRQHSA-N 0 3 185.267 0.622 20 0 ACADHN OC[C@@H]1CCN1CCc1cccnc1 934018221 629876845 /nfs/dbraw/zinc/87/68/45/629876845.db2.gz KSXRMBGQFYCFKD-NSHDSACASA-N 0 3 192.262 0.691 20 0 ACADHN CCSCCN1CC[C@@H]1CO 934017506 629875886 /nfs/dbraw/zinc/87/58/86/629875886.db2.gz ROHJWLVYHBYRSQ-MRVPVSSYSA-N 0 3 175.297 0.806 20 0 ACADHN Nc1cccc(CN2CC[C@@H]2CO)c1 934019029 629875915 /nfs/dbraw/zinc/87/59/15/629875915.db2.gz LMGDAYATNRRGEY-LLVKDONJSA-N 0 3 192.262 0.835 20 0 ACADHN OC[C@@H]1CCN1CCc1cn[nH]c1 934019317 629876359 /nfs/dbraw/zinc/87/63/59/629876359.db2.gz ONJKMESVGHKENF-VIFPVBQESA-N 0 3 181.239 0.019 20 0 ACADHN OC[C@H]1CCN1C[C@H]1CCCCO1 934023187 629876441 /nfs/dbraw/zinc/87/64/41/629876441.db2.gz CUJJKFVAPPLMIB-NXEZZACHSA-N 0 3 185.267 0.622 20 0 ACADHN OC[C@@H]1CCN1C[C@H]1CCCCO1 934023189 629876558 /nfs/dbraw/zinc/87/65/58/629876558.db2.gz CUJJKFVAPPLMIB-VHSXEESVSA-N 0 3 185.267 0.622 20 0 ACADHN OC[C@H]1CCN1C[C@@H]1CCCCO1 934023190 629876711 /nfs/dbraw/zinc/87/67/11/629876711.db2.gz CUJJKFVAPPLMIB-ZJUUUORDSA-N 0 3 185.267 0.622 20 0 ACADHN Nc1cccc(CN2CC[C@H]2CO)c1 934019031 629876706 /nfs/dbraw/zinc/87/67/06/629876706.db2.gz LMGDAYATNRRGEY-NSHDSACASA-N 0 3 192.262 0.835 20 0 ACADHN OC[C@H]1CCN1CCc1cccnc1 934018219 629876890 /nfs/dbraw/zinc/87/68/90/629876890.db2.gz KSXRMBGQFYCFKD-LLVKDONJSA-N 0 3 192.262 0.691 20 0 ACADHN CCSCCN1CC[C@H]1CO 934017513 629876894 /nfs/dbraw/zinc/87/68/94/629876894.db2.gz ROHJWLVYHBYRSQ-QMMMGPOBSA-N 0 3 175.297 0.806 20 0 ACADHN OC[C@@H]1CCN1CCOC1CCC1 934017797 629877020 /nfs/dbraw/zinc/87/70/20/629877020.db2.gz HTEMITPQIKYQNI-VIFPVBQESA-N 0 3 185.267 0.622 20 0 ACADHN OC[C@@H]1CCN1C[C@H]1CCCO1 934030459 629877709 /nfs/dbraw/zinc/87/77/09/629877709.db2.gz YSWDTQHZKITFRS-DTWKUNHWSA-N 0 3 171.240 0.232 20 0 ACADHN OC[C@@H]1CCN1C[C@@H]1CCCO1 934030461 629877746 /nfs/dbraw/zinc/87/77/46/629877746.db2.gz YSWDTQHZKITFRS-IUCAKERBSA-N 0 3 171.240 0.232 20 0 ACADHN OC[C@H]1CCN1C[C@H]1CCCO1 934030462 629877941 /nfs/dbraw/zinc/87/79/41/629877941.db2.gz YSWDTQHZKITFRS-RKDXNWHRSA-N 0 3 171.240 0.232 20 0 ACADHN OC[C@H]1CCN1C[C@@H]1CCCO1 934030458 629878118 /nfs/dbraw/zinc/87/81/18/629878118.db2.gz YSWDTQHZKITFRS-BDAKNGLRSA-N 0 3 171.240 0.232 20 0 ACADHN CCN(C)[C@H]1CCCCNC1=O 225712659 629888843 /nfs/dbraw/zinc/88/88/43/629888843.db2.gz ZUGQRFRBLFLIQT-QMMMGPOBSA-N 0 3 170.256 0.607 20 0 ACADHN NCC(=O)NCCC1CCC1 157680202 629896794 /nfs/dbraw/zinc/89/67/94/629896794.db2.gz NLNKEGXMSODGMX-UHFFFAOYSA-N 0 3 156.229 0.252 20 0 ACADHN CSC(C)(C)CNC(=O)CN 157667104 629897361 /nfs/dbraw/zinc/89/73/61/629897361.db2.gz MWFJJCKDOUGNES-UHFFFAOYSA-N 0 3 176.285 0.203 20 0 ACADHN CN(C(=O)CNC1CC1)c1cn[nH]c1 309615608 629908838 /nfs/dbraw/zinc/90/88/38/629908838.db2.gz FAYHCTRVADHALW-UHFFFAOYSA-N 0 3 194.238 0.125 20 0 ACADHN COc1ccc(CNCCCO)nc1 892426692 629916398 /nfs/dbraw/zinc/91/63/98/629916398.db2.gz KDFGLZOUKUDMAB-UHFFFAOYSA-N 0 3 196.250 0.562 20 0 ACADHN C[C@H](O)CN(C)c1ccnc(CO)c1 51839546 629923453 /nfs/dbraw/zinc/92/34/53/629923453.db2.gz UQHUTKXFJJEYDG-QMMMGPOBSA-N 0 3 196.250 0.391 20 0 ACADHN Cc1cc(N)nc(N[C@@H](C)CCO)n1 892615310 629951963 /nfs/dbraw/zinc/95/19/63/629951963.db2.gz AMYUVXMWFFEYSH-LURJTMIESA-N 0 3 196.254 0.550 20 0 ACADHN Cc1cc(N)nc(N[C@H](C)CCO)n1 892615312 629956786 /nfs/dbraw/zinc/95/67/86/629956786.db2.gz AMYUVXMWFFEYSH-ZCFIWIBFSA-N 0 3 196.254 0.550 20 0 ACADHN Cc1ccc([C@@H](N)CC(N)=O)cn1 162297982 629959677 /nfs/dbraw/zinc/95/96/77/629959677.db2.gz SMQRWRBQTGXBEQ-QMMMGPOBSA-N 0 3 179.223 0.265 20 0 ACADHN N[C@@H](CC1CC1)C(=O)NC1CC1 307942248 629968595 /nfs/dbraw/zinc/96/85/95/629968595.db2.gz DAVJZOCPQZRPEK-QMMMGPOBSA-N 0 3 168.240 0.392 20 0 ACADHN CCC(=O)CCN1CCC(O)CC1 308127588 629984285 /nfs/dbraw/zinc/98/42/85/629984285.db2.gz AARBTRUOSJGGBL-UHFFFAOYSA-N 0 3 185.267 0.812 20 0 ACADHN NC(=O)C[C@@H]1CCCN(CCF)C1 308186250 629996130 /nfs/dbraw/zinc/99/61/30/629996130.db2.gz JHSYLIILTFRHNY-QMMMGPOBSA-N 0 3 188.246 0.543 20 0 ACADHN CCC(=O)N(C)C1CCN(C)CC1 70222936 521082013 /nfs/dbraw/zinc/08/20/13/521082013.db2.gz UXXOXYVTNHKKOH-UHFFFAOYSA-N 0 3 184.283 0.949 20 0 ACADHN CCC(=O)N[C@H]1CCCN(CC)C1 70227557 521190625 /nfs/dbraw/zinc/19/06/25/521190625.db2.gz HOYGWZPOTGMFMG-VIFPVBQESA-N 0 3 184.283 0.997 20 0 ACADHN CCC1(CC)CCN(C(=O)CN)C1 87253700 521684573 /nfs/dbraw/zinc/68/45/73/521684573.db2.gz PFLGFLQPOPUQIP-UHFFFAOYSA-N 0 3 184.283 0.984 20 0 ACADHN CCNC(=O)N[C@H]1CCN(C2CC2)C1 136354913 521742908 /nfs/dbraw/zinc/74/29/08/521742908.db2.gz QAKNOCVJKMWLRF-QMMMGPOBSA-N 0 3 197.282 0.542 20 0 ACADHN CNCC(=O)Nc1ccc(F)cn1 83853146 521966663 /nfs/dbraw/zinc/96/66/63/521966663.db2.gz UGDQSNQQTRRZTI-UHFFFAOYSA-N 0 3 183.186 0.379 20 0 ACADHN CCc1cnc(N2CCNCC2)nc1 79016861 522045474 /nfs/dbraw/zinc/04/54/74/522045474.db2.gz JNKIAPCJQSFACR-UHFFFAOYSA-N 0 3 192.266 0.449 20 0 ACADHN CC[C@H](CO)NCc1ccc(CO)o1 81574487 522226436 /nfs/dbraw/zinc/22/64/36/522226436.db2.gz FMRKEIZLYWBVDZ-MRVPVSSYSA-N 0 3 199.250 0.632 20 0 ACADHN CC[C@H](N)C(=O)N1CC[C@@H](CC)C1 158322108 522325628 /nfs/dbraw/zinc/32/56/28/522325628.db2.gz DGAHCQOIQVXYLG-BDAKNGLRSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@H]1CCN(C(=O)C(C)(C)N)C1 158320131 523155057 /nfs/dbraw/zinc/15/50/57/523155057.db2.gz FJIMANDRIPHLRF-QMMMGPOBSA-N 0 3 184.283 0.982 20 0 ACADHN CC[C@H]1CCN(C(=O)[C@H](C)N)C1 158319829 523162268 /nfs/dbraw/zinc/16/22/68/523162268.db2.gz SCRQATPXGZLCLJ-YUMQZZPRSA-N 0 3 170.256 0.592 20 0 ACADHN CC[C@@H]1CCN(C(=O)[C@H](C)N)C1 158319693 523327837 /nfs/dbraw/zinc/32/78/37/523327837.db2.gz SCRQATPXGZLCLJ-JGVFFNPUSA-N 0 3 170.256 0.592 20 0 ACADHN COCCCNCc1ccc(CO)o1 82738082 523375814 /nfs/dbraw/zinc/37/58/14/523375814.db2.gz FPFRULXXEWBVIF-UHFFFAOYSA-N 0 3 199.250 0.898 20 0 ACADHN COC(=O)N[C@@H]1CCN(C)C1 74864858 523461001 /nfs/dbraw/zinc/46/10/01/523461001.db2.gz UPBOVENUHUGTJI-ZCFIWIBFSA-N 0 3 158.201 0.047 20 0 ACADHN COC(=O)N[C@H]1CCN(C)C1 74864856 523465670 /nfs/dbraw/zinc/46/56/70/523465670.db2.gz UPBOVENUHUGTJI-LURJTMIESA-N 0 3 158.201 0.047 20 0 ACADHN CC=CC[C@@H](CO)NCc1c[nH]cn1 308516068 630016062 /nfs/dbraw/zinc/01/60/62/630016062.db2.gz MVTVUZVKCBSABW-XADBCAIWSA-N 0 3 195.266 0.826 20 0 ACADHN CN(C)C1(C(=O)NCCF)CCC1 308306894 630009600 /nfs/dbraw/zinc/00/96/00/630009600.db2.gz OJEZFYNPYSAJEB-UHFFFAOYSA-N 0 3 188.246 0.556 20 0 ACADHN CN(CC1CC1)C(=O)[C@@H](N)CC1CC1 308502717 630011814 /nfs/dbraw/zinc/01/18/14/630011814.db2.gz XGFWOMLSAJADAA-JTQLQIEISA-N 0 3 196.294 0.982 20 0 ACADHN CC=CC[C@H](CO)NCc1c[nH]cn1 308516065 630015073 /nfs/dbraw/zinc/01/50/73/630015073.db2.gz MVTVUZVKCBSABW-GKQMSVHHSA-N 0 3 195.266 0.826 20 0 ACADHN CC=CC[C@@H](CO)NCc1c[nH]cn1 308516066 630016158 /nfs/dbraw/zinc/01/61/58/630016158.db2.gz MVTVUZVKCBSABW-HPOULIHZSA-N 0 3 195.266 0.826 20 0 ACADHN CC=CC[C@H](CO)NCc1c[nH]cn1 308516067 630018265 /nfs/dbraw/zinc/01/82/65/630018265.db2.gz MVTVUZVKCBSABW-PKRMOACSSA-N 0 3 195.266 0.826 20 0 ACADHN Cc1ccc([C@H](N)CC(N)=O)cn1 162297823 630022607 /nfs/dbraw/zinc/02/26/07/630022607.db2.gz SMQRWRBQTGXBEQ-MRVPVSSYSA-N 0 3 179.223 0.265 20 0 ACADHN OCC1(CNCc2c[nH]cn2)CC1 118907168 630029110 /nfs/dbraw/zinc/02/91/10/630029110.db2.gz SHIHFYMLCQSWNP-UHFFFAOYSA-N 0 3 181.239 0.272 20 0 ACADHN OC1(CNCc2c[nH]cn2)CCC1 123176317 630033300 /nfs/dbraw/zinc/03/33/00/630033300.db2.gz HFFVJHKTXHSCRO-UHFFFAOYSA-N 0 3 181.239 0.414 20 0 ACADHN Cc1nc([C@@H](N)CCO)cs1 82867837 630047066 /nfs/dbraw/zinc/04/70/66/630047066.db2.gz ZJVNOYIVXWARJC-LURJTMIESA-N 0 3 172.253 0.834 20 0 ACADHN Cc1nc([C@H](N)CCO)cs1 82867836 630048057 /nfs/dbraw/zinc/04/80/57/630048057.db2.gz ZJVNOYIVXWARJC-ZCFIWIBFSA-N 0 3 172.253 0.834 20 0 ACADHN COCCNCc1cncc(OC)c1 162882594 630050932 /nfs/dbraw/zinc/05/09/32/630050932.db2.gz QMLJSMUAIBJSPQ-UHFFFAOYSA-N 0 3 196.250 0.826 20 0 ACADHN CC[C@@H](CO)NCc1cnnn1CC 931772304 630055447 /nfs/dbraw/zinc/05/54/47/630055447.db2.gz KRSRBLGUUBWQOC-QMMMGPOBSA-N 0 3 198.270 0.159 20 0 ACADHN CC[C@H](CO)NCc1cnnn1CC 931772303 630055812 /nfs/dbraw/zinc/05/58/12/630055812.db2.gz KRSRBLGUUBWQOC-MRVPVSSYSA-N 0 3 198.270 0.159 20 0 ACADHN CS[C@H]1CC[C@H](NC(=O)CN)C1 225531544 630058545 /nfs/dbraw/zinc/05/85/45/630058545.db2.gz GOAHVJXNPDOJJR-BQBZGAKWSA-N 0 3 188.296 0.345 20 0 ACADHN NC1(C(=O)Nc2ccc(F)nc2)CC1 226309616 630059649 /nfs/dbraw/zinc/05/96/49/630059649.db2.gz YWXGNOOCGQQIMV-UHFFFAOYSA-N 0 3 195.197 0.651 20 0 ACADHN CCC[C@H](O)CNCc1c[nH]cn1 123293087 630061714 /nfs/dbraw/zinc/06/17/14/630061714.db2.gz XBBWQVGCOCUFIF-VIFPVBQESA-N 0 3 183.255 0.660 20 0 ACADHN Cc1ncoc1CN1CCC[C@@H]1CO 893918374 630069681 /nfs/dbraw/zinc/06/96/81/630069681.db2.gz CAYOEAGDDLZPBW-SECBINFHSA-N 0 3 196.250 0.940 20 0 ACADHN N[C@H](CCO)c1ccccn1 75450370 630074067 /nfs/dbraw/zinc/07/40/67/630074067.db2.gz IHEKDUZNUUGMPX-SSDOTTSWSA-N 0 3 152.197 0.464 20 0 ACADHN CCOCCn1cc([C@@H](C)N)nn1 158977265 630074442 /nfs/dbraw/zinc/07/44/42/630074442.db2.gz BDWMEHPXSQCHGV-SSDOTTSWSA-N 0 3 184.243 0.334 20 0 ACADHN Cn1cncc1CN[C@@H]1CC[C@H]1O 306190197 630086795 /nfs/dbraw/zinc/08/67/95/630086795.db2.gz DVWVLUBZYRCJKH-RKDXNWHRSA-N 0 3 181.239 0.033 20 0 ACADHN N[C@@H](CC1CC1)C(=O)Nc1cc[nH]n1 306228710 630089047 /nfs/dbraw/zinc/08/90/47/630089047.db2.gz XTXYNYZBDMGNBP-ZETCQYMHSA-N 0 3 194.238 0.476 20 0 ACADHN C1CCN(CC2OCCO2)C1 306291119 630092429 /nfs/dbraw/zinc/09/24/29/630092429.db2.gz SERNYSFEPYFXTE-UHFFFAOYSA-N 0 3 157.213 0.455 20 0 ACADHN C[C@@H]1CCCN(Cn2cnnc2)C1 306291238 630092834 /nfs/dbraw/zinc/09/28/34/630092834.db2.gz QVUYODLKTUZGMD-SECBINFHSA-N 0 3 180.255 0.968 20 0 ACADHN C[C@H]1CCCN(Cn2cnnc2)C1 306291239 630093832 /nfs/dbraw/zinc/09/38/32/630093832.db2.gz QVUYODLKTUZGMD-VIFPVBQESA-N 0 3 180.255 0.968 20 0 ACADHN Cc1n[nH]cc1[C@H](C)N[C@@H]1CC[C@H]1O 306321602 630095792 /nfs/dbraw/zinc/09/57/92/630095792.db2.gz CCYUHPLUSNGVNX-WQGWLQIFSA-N 0 3 195.266 0.892 20 0 ACADHN Cc1n[nH]cc1[C@@H](C)N[C@@H]1CC[C@H]1O 306321601 630096549 /nfs/dbraw/zinc/09/65/49/630096549.db2.gz CCYUHPLUSNGVNX-BDODKLCJSA-N 0 3 195.266 0.892 20 0 ACADHN C[C@H](N)C(=O)N1C[C@H]2CC=CC[C@H]2C1 306348269 630097936 /nfs/dbraw/zinc/09/79/36/630097936.db2.gz HZURUIYWQSHJGU-LPEHRKFASA-N 0 3 194.278 0.758 20 0 ACADHN CC[C@@H]1CN(CCF)C[C@@H]1O 306339110 630098527 /nfs/dbraw/zinc/09/85/27/630098527.db2.gz VLFNAXOGJACLAC-SFYZADRCSA-N 0 3 161.220 0.659 20 0 ACADHN C[C@@H]1CN([C@@H]2CCOC2=O)C[C@@H]1C 306338342 630098673 /nfs/dbraw/zinc/09/86/73/630098673.db2.gz UVZCIEGETIEDAZ-HRDYMLBCSA-N 0 3 183.251 0.890 20 0 ACADHN C[C@@H]1CN([C@H]2CCOC2=O)C[C@H]1C 306338341 630099427 /nfs/dbraw/zinc/09/94/27/630099427.db2.gz UVZCIEGETIEDAZ-HLTSFMKQSA-N 0 3 183.251 0.890 20 0 ACADHN CC[C@H]1CN(CCF)C[C@@H]1O 306339115 630100860 /nfs/dbraw/zinc/10/08/60/630100860.db2.gz VLFNAXOGJACLAC-YUMQZZPRSA-N 0 3 161.220 0.659 20 0 ACADHN C[C@H]1[C@@H](C)N(C)CCN1CCF 306389413 630101865 /nfs/dbraw/zinc/10/18/65/630101865.db2.gz WSPVSTQGPMKFIJ-BDAKNGLRSA-N 0 3 174.263 0.980 20 0 ACADHN C[C@H]1[C@@H](C)N(CCF)CCN1C 306389414 630101950 /nfs/dbraw/zinc/10/19/50/630101950.db2.gz WSPVSTQGPMKFIJ-DTWKUNHWSA-N 0 3 174.263 0.980 20 0 ACADHN CN(C)C(=O)C1(N(C)C)CCC1 306370373 630102789 /nfs/dbraw/zinc/10/27/89/630102789.db2.gz DDAAUHUWBPOPPU-UHFFFAOYSA-N 0 3 170.256 0.559 20 0 ACADHN C[C@H](N[C@@H]1CC[C@H]1O)c1ccnn1C 306418525 630108465 /nfs/dbraw/zinc/10/84/65/630108465.db2.gz VEWBTNDIBSNPGS-QXFUBDJGSA-N 0 3 195.266 0.594 20 0 ACADHN C[C@@H](N[C@@H]1CC[C@H]1O)c1ccnn1C 306418522 630108963 /nfs/dbraw/zinc/10/89/63/630108963.db2.gz VEWBTNDIBSNPGS-NQMVMOMDSA-N 0 3 195.266 0.594 20 0 ACADHN CC(C)C[C@@H](N)C(=O)Nc1nc[nH]n1 306441469 630109598 /nfs/dbraw/zinc/10/95/98/630109598.db2.gz STRWFMAOBDWPAU-ZCFIWIBFSA-N 0 3 197.242 0.117 20 0 ACADHN CC1CCN(Cn2cnnc2)CC1 306457049 630110326 /nfs/dbraw/zinc/11/03/26/630110326.db2.gz UOEDDERXVZRYGK-UHFFFAOYSA-N 0 3 180.255 0.968 20 0 ACADHN CC(C)CN(C)CC1OCCO1 306514806 630118967 /nfs/dbraw/zinc/11/89/67/630118967.db2.gz VDYLNZRMWZZPJU-UHFFFAOYSA-N 0 3 173.256 0.947 20 0 ACADHN C[C@@H](N)C(=O)N1C[C@H]2CC=CC[C@H]2C1 306517833 630119093 /nfs/dbraw/zinc/11/90/93/630119093.db2.gz HZURUIYWQSHJGU-BBBLOLIVSA-N 0 3 194.278 0.758 20 0 ACADHN COCCCN(C)CCF 306515218 630119302 /nfs/dbraw/zinc/11/93/02/630119302.db2.gz VUNGYMNVGVIPAF-UHFFFAOYSA-N 0 3 149.209 0.924 20 0 ACADHN CCCn1cc(NC(=O)[C@@H](C)N)cn1 306653827 630125136 /nfs/dbraw/zinc/12/51/36/630125136.db2.gz HDYYMWVLKIJWCK-SSDOTTSWSA-N 0 3 196.254 0.579 20 0 ACADHN CCNCC(=O)Nc1cnc(C)nc1 306666566 630125641 /nfs/dbraw/zinc/12/56/41/630125641.db2.gz VGLCWKUSFZECBB-UHFFFAOYSA-N 0 3 194.238 0.333 20 0 ACADHN CC[C@@H]1[NH2+]CC[C@@H]1C(=O)[N-]OC 306610195 630126401 /nfs/dbraw/zinc/12/64/01/630126401.db2.gz BOVGQLBMNMLTPU-BQBZGAKWSA-N 0 3 172.228 0.052 20 0 ACADHN CC(C)N1CCC2(C1)OCCO2 306692120 630130038 /nfs/dbraw/zinc/13/00/38/630130038.db2.gz PCWHIJWDFCTGND-UHFFFAOYSA-N 0 3 171.240 0.844 20 0 ACADHN CC[C@H](C)NC(=O)C1(N)CC1 83833719 523963802 /nfs/dbraw/zinc/96/38/02/523963802.db2.gz RMBGUWPEGXKJFD-LURJTMIESA-N 0 3 156.229 0.392 20 0 ACADHN O[C@@H]1CC[C@H]1NCc1c[nH]cn1 306734670 630132244 /nfs/dbraw/zinc/13/22/44/630132244.db2.gz OHLOSJIFBKWUII-HTQZYQBOSA-N 0 3 167.212 0.023 20 0 ACADHN O[C@@H]1CC[C@H]1NCc1cnc[nH]1 306734670 630132249 /nfs/dbraw/zinc/13/22/49/630132249.db2.gz OHLOSJIFBKWUII-HTQZYQBOSA-N 0 3 167.212 0.023 20 0 ACADHN CC(C)C[C@H](N)C(=O)Nc1nc[nH]n1 306886624 630134653 /nfs/dbraw/zinc/13/46/53/630134653.db2.gz STRWFMAOBDWPAU-LURJTMIESA-N 0 3 197.242 0.117 20 0 ACADHN CC(C)NC(=O)C1(N(C)C)CCC1 306973881 630141437 /nfs/dbraw/zinc/14/14/37/630141437.db2.gz XQNNPEQVCIAOBZ-UHFFFAOYSA-N 0 3 184.283 0.995 20 0 ACADHN Cc1nc([C@@H](C)N[C@@H]2CCOC2)n[nH]1 307068347 630144483 /nfs/dbraw/zinc/14/44/83/630144483.db2.gz BZLPELGAPJUFGY-HTRCEHHLSA-N 0 3 196.254 0.553 20 0 ACADHN Cc1nc([C@H](C)N[C@@H]2CCOC2)n[nH]1 307068349 630145649 /nfs/dbraw/zinc/14/56/49/630145649.db2.gz BZLPELGAPJUFGY-POYBYMJQSA-N 0 3 196.254 0.553 20 0 ACADHN c1nncn1CN1CCCC1 307115751 630148730 /nfs/dbraw/zinc/14/87/30/630148730.db2.gz OBKMDIAHXPSERF-UHFFFAOYSA-N 0 3 152.201 0.331 20 0 ACADHN C[C@@H](NC1CC1)C(=O)Nc1cn[nH]c1 307213796 630153632 /nfs/dbraw/zinc/15/36/32/630153632.db2.gz QYFRIMVPCSNYAU-ZCFIWIBFSA-N 0 3 194.238 0.489 20 0 ACADHN C[C@H](NC1CC1)C(=O)Nc1cn[nH]c1 307213794 630154103 /nfs/dbraw/zinc/15/41/03/630154103.db2.gz QYFRIMVPCSNYAU-LURJTMIESA-N 0 3 194.238 0.489 20 0 ACADHN CNC(=O)[C@]1(C)CCN(CCF)C1 307283357 630155705 /nfs/dbraw/zinc/15/57/05/630155705.db2.gz IEFMXESMRFOGCW-SECBINFHSA-N 0 3 188.246 0.414 20 0 ACADHN CO[N-]C(=O)C[C@@H]1CCC[C@H]1[NH3+] 307249120 630155467 /nfs/dbraw/zinc/15/54/67/630155467.db2.gz OBLLZEICOVDWRM-NKWVEPMBSA-N 0 3 172.228 0.182 20 0 ACADHN CNC(=O)[C@@]1(C)CCN(CCF)C1 307283369 630156921 /nfs/dbraw/zinc/15/69/21/630156921.db2.gz IEFMXESMRFOGCW-VIFPVBQESA-N 0 3 188.246 0.414 20 0 ACADHN Cn1cc(CN[C@@H]2CC[C@H]2O)cn1 307299851 630161372 /nfs/dbraw/zinc/16/13/72/630161372.db2.gz VNVKIBLTWCABHB-RKDXNWHRSA-N 0 3 181.239 0.033 20 0 ACADHN C[S@](=O)CCN1CCCC1 307361721 630162285 /nfs/dbraw/zinc/16/22/85/630162285.db2.gz HSXSKTCIVJYPSC-JTQLQIEISA-N 0 3 161.270 0.461 20 0 ACADHN Cn1nccc1CN[C@@H]1CC[C@H]1O 307344110 630162329 /nfs/dbraw/zinc/16/23/29/630162329.db2.gz MMZYGIKLKAZHOZ-RKDXNWHRSA-N 0 3 181.239 0.033 20 0 ACADHN C[S@@](=O)CCN1CCCC1 307361722 630163114 /nfs/dbraw/zinc/16/31/14/630163114.db2.gz HSXSKTCIVJYPSC-SNVBAGLBSA-N 0 3 161.270 0.461 20 0 ACADHN CCO[N-]C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C 307375041 630165275 /nfs/dbraw/zinc/16/52/75/630165275.db2.gz USQXGUMEBWZHAZ-HTQZYQBOSA-N 0 3 186.255 0.394 20 0 ACADHN CCO[N-]C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C 307375041 630165278 /nfs/dbraw/zinc/16/52/78/630165278.db2.gz USQXGUMEBWZHAZ-HTQZYQBOSA-N 0 3 186.255 0.394 20 0 ACADHN CN(C(=O)C(C)(C)N)c1cn[nH]c1 307561707 630171399 /nfs/dbraw/zinc/17/13/99/630171399.db2.gz YWDXPYKFCUHSMS-UHFFFAOYSA-N 0 3 182.227 0.110 20 0 ACADHN CNC(=O)[C@@H]1CCCN(CCF)C1 307582837 630171430 /nfs/dbraw/zinc/17/14/30/630171430.db2.gz WHUQTXVKLMJAKT-MRVPVSSYSA-N 0 3 188.246 0.414 20 0 ACADHN CN(CCF)C1(CO)CCC1 307619436 630177789 /nfs/dbraw/zinc/17/77/89/630177789.db2.gz XSNFFCPJYTZKNC-UHFFFAOYSA-N 0 3 161.220 0.803 20 0 ACADHN CCN(CC(=O)NC)C(C)C 307639059 630179483 /nfs/dbraw/zinc/17/94/83/630179483.db2.gz ZINACIXDTOUYRT-UHFFFAOYSA-N 0 3 158.245 0.463 20 0 ACADHN CCCN(C)CC1OCCO1 307703831 630185585 /nfs/dbraw/zinc/18/55/85/630185585.db2.gz WFIYIQGEZALSQP-UHFFFAOYSA-N 0 3 159.229 0.701 20 0 ACADHN CN(C)C(=O)[C@@H]1NCCCC1(C)C 234241171 524013913 /nfs/dbraw/zinc/01/39/13/524013913.db2.gz CGYDYUHWMCHBFH-QMMMGPOBSA-N 0 3 184.283 0.853 20 0 ACADHN COC(=O)N(C)[C@@H]1CCCN(C)C1 126103639 630193814 /nfs/dbraw/zinc/19/38/14/630193814.db2.gz ZHMFIMVKGFXPJP-MRVPVSSYSA-N 0 3 186.255 0.779 20 0 ACADHN c1nncn1CN1CCCCC1 149866346 630194610 /nfs/dbraw/zinc/19/46/10/630194610.db2.gz XMXNUTYRRCSMRU-UHFFFAOYSA-N 0 3 166.228 0.722 20 0 ACADHN CCO[N-]C(=O)[C@@H](C)[C@H](C)[NH3+] 165504948 630198531 /nfs/dbraw/zinc/19/85/31/630198531.db2.gz FBMCDKCIHWAOQH-WDSKDSINSA-N 0 3 160.217 0.037 20 0 ACADHN CCO[N-]C(=O)[C@H](C)[C@@H](C)[NH3+] 165504826 630198783 /nfs/dbraw/zinc/19/87/83/630198783.db2.gz FBMCDKCIHWAOQH-PHDIDXHHSA-N 0 3 160.217 0.037 20 0 ACADHN COc1ccc(CN2CC(N)C2)cc1 82595652 524023485 /nfs/dbraw/zinc/02/34/85/524023485.db2.gz WYFPLKXDIHFKCE-UHFFFAOYSA-N 0 3 192.262 0.838 20 0 ACADHN CCO[N-]C(=O)[C@@H](C)[C@@H](C)[NH3+] 165504707 630201558 /nfs/dbraw/zinc/20/15/58/630201558.db2.gz FBMCDKCIHWAOQH-NTSWFWBYSA-N 0 3 160.217 0.037 20 0 ACADHN C[C@@H]1NC(=O)[C@@H](C)N(CC2CC2)[C@@H]1C 895117433 630202470 /nfs/dbraw/zinc/20/24/70/630202470.db2.gz SZLXOPNINUKVSL-DJLDLDEBSA-N 0 3 196.294 0.994 20 0 ACADHN C[C@@H]1NC(=O)[C@@H](C)N(CC2CC2)[C@H]1C 895117434 630202933 /nfs/dbraw/zinc/20/29/33/630202933.db2.gz SZLXOPNINUKVSL-XHNCKOQMSA-N 0 3 196.294 0.994 20 0 ACADHN C[C@@H]1NC(=O)[C@H](C)N(CC2CC2)[C@@H]1C 895117435 630204644 /nfs/dbraw/zinc/20/46/44/630204644.db2.gz SZLXOPNINUKVSL-YIZRAAEISA-N 0 3 196.294 0.994 20 0 ACADHN C[C@@H]1NC(=O)[C@H](C)N(CC2CC2)[C@H]1C 895117432 630205253 /nfs/dbraw/zinc/20/52/53/630205253.db2.gz SZLXOPNINUKVSL-CIUDSAMLSA-N 0 3 196.294 0.994 20 0 ACADHN COCC1CN(Cc2[nH]ncc2C)C1 895969853 630227879 /nfs/dbraw/zinc/22/78/79/630227879.db2.gz OEFNSBPANIRDKK-UHFFFAOYSA-N 0 3 195.266 0.796 20 0 ACADHN COCC1CN(CC2=CCCOC2)C1 895971970 630232572 /nfs/dbraw/zinc/23/25/72/630232572.db2.gz ZMZCJKRPGDPEGH-UHFFFAOYSA-N 0 3 197.278 0.911 20 0 ACADHN C[C@H](N)c1cn(-c2cnn(C)c2)nn1 167090690 630233758 /nfs/dbraw/zinc/23/37/58/630233758.db2.gz YCCOERIELVIDFN-LURJTMIESA-N 0 3 192.226 0.021 20 0 ACADHN C[C@H](N)c1cn(C[C@@H]2CCCO2)nn1 167109050 630235105 /nfs/dbraw/zinc/23/51/05/630235105.db2.gz VHPTVPSXDBQODG-YUMQZZPRSA-N 0 3 196.254 0.477 20 0 ACADHN CC(=O)N1CC[C@H](NCCF)[C@@H]1C 985862259 630260501 /nfs/dbraw/zinc/26/05/01/630260501.db2.gz UIHLLNROVBCRLA-CBAPKCEASA-N 0 3 188.246 0.555 20 0 ACADHN CC(=O)N1CC[C@@H](NCCF)[C@H]1C 985862261 630260571 /nfs/dbraw/zinc/26/05/71/630260571.db2.gz UIHLLNROVBCRLA-VXNVDRBHSA-N 0 3 188.246 0.555 20 0 ACADHN CC(=O)N1CC[C@H](NCCF)[C@H]1C 985862258 630261040 /nfs/dbraw/zinc/26/10/40/630261040.db2.gz UIHLLNROVBCRLA-APPZFPTMSA-N 0 3 188.246 0.555 20 0 ACADHN CC(=O)N1CC[C@@H](NCCF)[C@@H]1C 985862260 630261170 /nfs/dbraw/zinc/26/11/70/630261170.db2.gz UIHLLNROVBCRLA-IONNQARKSA-N 0 3 188.246 0.555 20 0 ACADHN Cc1ncsc1[C@@H](N)CCO 82867839 630289422 /nfs/dbraw/zinc/28/94/22/630289422.db2.gz IFOJIFWOAGPOHQ-LURJTMIESA-N 0 3 172.253 0.834 20 0 ACADHN CNC(=O)C[C@@H](C)NCc1c[nH]cn1 322726771 630455691 /nfs/dbraw/zinc/45/56/91/630455691.db2.gz UKRWNGNFKXJESR-SSDOTTSWSA-N 0 3 196.254 0.024 20 0 ACADHN CNC(=O)C[C@@H](C)NCc1cnc[nH]1 322726771 630455696 /nfs/dbraw/zinc/45/56/96/630455696.db2.gz UKRWNGNFKXJESR-SSDOTTSWSA-N 0 3 196.254 0.024 20 0 ACADHN CNC(=O)C[C@H](C)NCc1c[nH]cn1 322726773 630456512 /nfs/dbraw/zinc/45/65/12/630456512.db2.gz UKRWNGNFKXJESR-ZETCQYMHSA-N 0 3 196.254 0.024 20 0 ACADHN CNC(=O)C[C@H](C)NCc1cnc[nH]1 322726773 630456513 /nfs/dbraw/zinc/45/65/13/630456513.db2.gz UKRWNGNFKXJESR-ZETCQYMHSA-N 0 3 196.254 0.024 20 0 ACADHN C[C@H]1CCN[C@@H](C(=O)N(C)C2CC2)C1 167389612 524314431 /nfs/dbraw/zinc/31/44/31/524314431.db2.gz TUYWXIKNAYCNHX-WCBMZHEXSA-N 0 3 196.294 0.995 20 0 ACADHN C[C@H]1CN(C(=O)CC2CC2)[C@@H](C)CN1 83118356 524463498 /nfs/dbraw/zinc/46/34/98/524463498.db2.gz WCTCOPJUCCGASQ-IUCAKERBSA-N 0 3 196.294 0.995 20 0 ACADHN CSCC[C@H](C)NC(=O)[C@H](C)N 157689508 630746015 /nfs/dbraw/zinc/74/60/15/630746015.db2.gz JGANBFKODDTSDZ-BQBZGAKWSA-N 0 3 190.312 0.591 20 0 ACADHN C[C@H](CNC(=O)CN)C(C)(C)C 162003462 630746078 /nfs/dbraw/zinc/74/60/78/630746078.db2.gz UVDSEMBZZVYZJN-SSDOTTSWSA-N 0 3 172.272 0.744 20 0 ACADHN C[C@@H](CNC(=O)CN)C(C)(C)C 162003345 630746099 /nfs/dbraw/zinc/74/60/99/630746099.db2.gz UVDSEMBZZVYZJN-ZETCQYMHSA-N 0 3 172.272 0.744 20 0 ACADHN CNCc1cc(-c2csnn2)no1 901405648 630747402 /nfs/dbraw/zinc/74/74/02/630747402.db2.gz VCFXFAUZWSQXFV-UHFFFAOYSA-N 0 3 196.235 0.913 20 0 ACADHN COCCN(C)c1ccnc(CO)c1 42460030 630748102 /nfs/dbraw/zinc/74/81/02/630748102.db2.gz KMLJGMQTAUBIOQ-UHFFFAOYSA-N 0 3 196.250 0.657 20 0 ACADHN CC[C@@H](N)C(=O)NCc1ccon1 88052887 630748776 /nfs/dbraw/zinc/74/87/76/630748776.db2.gz DUKLPQFAZWFCPA-SSDOTTSWSA-N 0 3 183.211 0.028 20 0 ACADHN CC[C@H](N)C(=O)NCc1ccon1 88052886 630749936 /nfs/dbraw/zinc/74/99/36/630749936.db2.gz DUKLPQFAZWFCPA-ZETCQYMHSA-N 0 3 183.211 0.028 20 0 ACADHN O[C@H](CN[C@@H]1CCOC1)c1ccco1 87415938 630758830 /nfs/dbraw/zinc/75/88/30/630758830.db2.gz KZZAXGHNXOXBDY-RKDXNWHRSA-N 0 3 197.234 0.692 20 0 ACADHN C/C=C\C(=O)N1CCCN(C)CC1 211366859 630759285 /nfs/dbraw/zinc/75/92/85/630759285.db2.gz WQWWKFGQGTZWPW-HYXAFXHYSA-N 0 3 182.267 0.727 20 0 ACADHN COCCCn1cc([C@H](C)N)nn1 167140064 630759918 /nfs/dbraw/zinc/75/99/18/630759918.db2.gz JBYCZVOBDJUWSK-ZETCQYMHSA-N 0 3 184.243 0.334 20 0 ACADHN C[C@H]1CCN1C(=O)CN1CCCC1 914157429 630763196 /nfs/dbraw/zinc/76/31/96/630763196.db2.gz UZTVFYHTYMRIBU-VIFPVBQESA-N 0 3 182.267 0.703 20 0 ACADHN C[C@@H]1CCN1C(=O)CN1CCCC1 914157428 630764201 /nfs/dbraw/zinc/76/42/01/630764201.db2.gz UZTVFYHTYMRIBU-SECBINFHSA-N 0 3 182.267 0.703 20 0 ACADHN CCC(CC)NC(=O)[C@H](CN)OC 227341728 630766901 /nfs/dbraw/zinc/76/69/01/630766901.db2.gz OPEZSXJSKNQCPE-QMMMGPOBSA-N 0 3 188.271 0.265 20 0 ACADHN CN1CCC[C@@H]1CSc1nc[nH]n1 915649563 630779131 /nfs/dbraw/zinc/77/91/31/630779131.db2.gz ZXVNQBWYQYUIGL-SSDOTTSWSA-N 0 3 198.295 0.991 20 0 ACADHN CN1CCC[C@H]1CSc1nc[nH]n1 915649566 630781271 /nfs/dbraw/zinc/78/12/71/630781271.db2.gz ZXVNQBWYQYUIGL-ZETCQYMHSA-N 0 3 198.295 0.991 20 0 ACADHN Cc1noc(OC[C@H]2CCCN2C)n1 917015924 630789198 /nfs/dbraw/zinc/78/91/98/630789198.db2.gz PRJOQHKZKMFBES-MRVPVSSYSA-N 0 3 197.238 0.851 20 0 ACADHN Cc1noc(OC[C@@H]2CCCN2C)n1 917015925 630791283 /nfs/dbraw/zinc/79/12/83/630791283.db2.gz PRJOQHKZKMFBES-QMMMGPOBSA-N 0 3 197.238 0.851 20 0 ACADHN CC(C)N(C)CC(=O)N1CC=CC1 910005806 630791918 /nfs/dbraw/zinc/79/19/18/630791918.db2.gz YFIGXHCPHACPRN-UHFFFAOYSA-N 0 3 182.267 0.725 20 0 ACADHN CC(C)[C@@H](C(=O)N1CC=CC1)N(C)C 910007320 630792248 /nfs/dbraw/zinc/79/22/48/630792248.db2.gz NCBOWSAARDGAGO-JTQLQIEISA-N 0 3 196.294 0.971 20 0 ACADHN CN1CCCC[C@@H]1C(=O)N1CC=CC1 910007849 630792271 /nfs/dbraw/zinc/79/22/71/630792271.db2.gz UBTITBIOCXJZNI-SNVBAGLBSA-N 0 3 194.278 0.869 20 0 ACADHN CN1CCC[C@H]1C(=O)N1CC=CC1 910007268 630792338 /nfs/dbraw/zinc/79/23/38/630792338.db2.gz LZXZOGZKQGQRRT-VIFPVBQESA-N 0 3 180.251 0.479 20 0 ACADHN CN(CC(=O)N1CC=CC1)C1CCC1 910023785 630792657 /nfs/dbraw/zinc/79/26/57/630792657.db2.gz UZANOLKZTIFOFQ-UHFFFAOYSA-N 0 3 194.278 0.869 20 0 ACADHN CC(C)[C@H](C(=O)N1CC=CC1)N(C)C 910007321 630792830 /nfs/dbraw/zinc/79/28/30/630792830.db2.gz NCBOWSAARDGAGO-SNVBAGLBSA-N 0 3 196.294 0.971 20 0 ACADHN CN1CCCC[C@H]1C(=O)N1CC=CC1 910007848 630792887 /nfs/dbraw/zinc/79/28/87/630792887.db2.gz UBTITBIOCXJZNI-JTQLQIEISA-N 0 3 194.278 0.869 20 0 ACADHN CCCN(C)CC(=O)N1CC=CC1 910008095 630794009 /nfs/dbraw/zinc/79/40/09/630794009.db2.gz ZLMYFXWFCNAXEM-UHFFFAOYSA-N 0 3 182.267 0.727 20 0 ACADHN CN1CCC[C@@H]1C(=O)N1CC=CC1 910007267 630794121 /nfs/dbraw/zinc/79/41/21/630794121.db2.gz LZXZOGZKQGQRRT-SECBINFHSA-N 0 3 180.251 0.479 20 0 ACADHN O=C(CN1CCCC1)N1CC=CC1 910011068 630795647 /nfs/dbraw/zinc/79/56/47/630795647.db2.gz PJNYLLNWBCIBAH-UHFFFAOYSA-N 0 3 180.251 0.481 20 0 ACADHN CN(C)C1(C(=O)N2CC=CC2)CCC1 910009855 630795750 /nfs/dbraw/zinc/79/57/50/630795750.db2.gz UOWAPTIQEGOVFV-UHFFFAOYSA-N 0 3 194.278 0.869 20 0 ACADHN CN(C)C(=O)[C@H](N)CC1CC1 150208469 630799865 /nfs/dbraw/zinc/79/98/65/630799865.db2.gz RKVZFRJZKKWFSJ-SSDOTTSWSA-N 0 3 156.229 0.202 20 0 ACADHN CN(C)C(=O)[C@@H](N)CC1CC1 150208252 630802351 /nfs/dbraw/zinc/80/23/51/630802351.db2.gz RKVZFRJZKKWFSJ-ZETCQYMHSA-N 0 3 156.229 0.202 20 0 ACADHN CCN1CC(CNC(=O)[C@@H]2C[C@@H]2C)C1 1031528667 630806803 /nfs/dbraw/zinc/80/68/03/630806803.db2.gz UTRWXIFSXHPYRJ-WCBMZHEXSA-N 0 3 196.294 0.710 20 0 ACADHN CCN1CC(CNC(=O)C2CCC2)C1 1031509394 630806849 /nfs/dbraw/zinc/80/68/49/630806849.db2.gz JSOQADNLXGRKEV-UHFFFAOYSA-N 0 3 196.294 0.854 20 0 ACADHN CCN1CC(CNC(=O)C2CC2)C1 1031507545 630806995 /nfs/dbraw/zinc/80/69/95/630806995.db2.gz AQLUHFVUIGAIFJ-UHFFFAOYSA-N 0 3 182.267 0.464 20 0 ACADHN CCN1CC(CNC(=O)[C@@H]2C[C@H]2C)C1 1031528665 630807212 /nfs/dbraw/zinc/80/72/12/630807212.db2.gz UTRWXIFSXHPYRJ-PSASIEDQSA-N 0 3 196.294 0.710 20 0 ACADHN CCN1CC(CNC(=O)[C@H]2C[C@@H]2C)C1 1031528668 630807709 /nfs/dbraw/zinc/80/77/09/630807709.db2.gz UTRWXIFSXHPYRJ-WPRPVWTQSA-N 0 3 196.294 0.710 20 0 ACADHN CCN1CC(CNC(=O)[C@H]2C[C@H]2C)C1 1031528666 630808062 /nfs/dbraw/zinc/80/80/62/630808062.db2.gz UTRWXIFSXHPYRJ-SCZZXKLOSA-N 0 3 196.294 0.710 20 0 ACADHN CC(=O)NCC1CN(CCCF)C1 1031502803 630808163 /nfs/dbraw/zinc/80/81/63/630808163.db2.gz JQWFZHLYWZMPPV-UHFFFAOYSA-N 0 3 188.246 0.414 20 0 ACADHN Cc1noc(C2(CN(C)C)CC2)n1 923759825 630811093 /nfs/dbraw/zinc/81/10/93/630811093.db2.gz FSAKSXXMHRMGIC-UHFFFAOYSA-N 0 3 181.239 0.971 20 0 ACADHN CC[C@@H](C)[C@H](O)CNCc1c[nH]cn1 164011697 630830008 /nfs/dbraw/zinc/83/00/08/630830008.db2.gz BWGWJOJJAOUMJO-PSASIEDQSA-N 0 3 197.282 0.906 20 0 ACADHN c1nc(CNCCOCC2CC2)c[nH]1 163941438 630830257 /nfs/dbraw/zinc/83/02/57/630830257.db2.gz JUABKXXWPCFFAO-UHFFFAOYSA-N 0 3 195.266 0.926 20 0 ACADHN c1ncc(CNCCOCC2CC2)[nH]1 163941438 630830261 /nfs/dbraw/zinc/83/02/61/630830261.db2.gz JUABKXXWPCFFAO-UHFFFAOYSA-N 0 3 195.266 0.926 20 0 ACADHN CC[C@@H](C)[C@@H](O)CNCc1c[nH]cn1 164011901 630830395 /nfs/dbraw/zinc/83/03/95/630830395.db2.gz BWGWJOJJAOUMJO-SCZZXKLOSA-N 0 3 197.282 0.906 20 0 ACADHN CC[C@H](C)[C@H](O)CNCc1c[nH]cn1 164011794 630831890 /nfs/dbraw/zinc/83/18/90/630831890.db2.gz BWGWJOJJAOUMJO-WCBMZHEXSA-N 0 3 197.282 0.906 20 0 ACADHN O[C@@H]1CCC[C@H]1NCc1c[nH]cn1 164227841 630832020 /nfs/dbraw/zinc/83/20/20/630832020.db2.gz HDFQIKIDVIKZTH-RKDXNWHRSA-N 0 3 181.239 0.413 20 0 ACADHN CC[C@H](C)[C@@H](O)CNCc1c[nH]cn1 164011994 630832104 /nfs/dbraw/zinc/83/21/04/630832104.db2.gz BWGWJOJJAOUMJO-WPRPVWTQSA-N 0 3 197.282 0.906 20 0 ACADHN OCC[C@H](NCc1ncc[nH]1)C1CC1 164387782 630835749 /nfs/dbraw/zinc/83/57/49/630835749.db2.gz BVSQWWFVFWCKLA-VIFPVBQESA-N 0 3 195.266 0.660 20 0 ACADHN OCC[C@@H](NCc1cc[nH]n1)C1CC1 164381757 630835769 /nfs/dbraw/zinc/83/57/69/630835769.db2.gz GLVFEYBRSKJVTC-SNVBAGLBSA-N 0 3 195.266 0.660 20 0 ACADHN OCC[C@H](NCc1cc[nH]n1)C1CC1 164381639 630836292 /nfs/dbraw/zinc/83/62/92/630836292.db2.gz GLVFEYBRSKJVTC-JTQLQIEISA-N 0 3 195.266 0.660 20 0 ACADHN OCC[C@@H](NCc1ncc[nH]1)C1CC1 164387904 630836788 /nfs/dbraw/zinc/83/67/88/630836788.db2.gz BVSQWWFVFWCKLA-SECBINFHSA-N 0 3 195.266 0.660 20 0 ACADHN CCN(CCCO)CC(OC)OC 164758512 630836915 /nfs/dbraw/zinc/83/69/15/630836915.db2.gz BOAAVPTUBQVRSY-UHFFFAOYSA-N 0 3 191.271 0.310 20 0 ACADHN CCCNC(=O)[C@H](N)CC1CC1 83340020 630837164 /nfs/dbraw/zinc/83/71/64/630837164.db2.gz ZMDOYDUNELDTEB-MRVPVSSYSA-N 0 3 170.256 0.640 20 0 ACADHN Cc1nc(NCC[NH+](C)C)cc(=O)[n-]1 165167976 630837759 /nfs/dbraw/zinc/83/77/59/630837759.db2.gz VUVJFALXAJLWRC-UHFFFAOYSA-N 0 3 196.254 0.464 20 0 ACADHN C[C@@H](CNc1cc(=O)[n-]cn1)[NH+](C)C 165208545 630842029 /nfs/dbraw/zinc/84/20/29/630842029.db2.gz UPYLOKIDWDBDCR-ZETCQYMHSA-N 0 3 196.254 0.132 20 0 ACADHN C[C@H](CNc1cc(=O)[n-]cn1)[NH+](C)C 165208662 630842594 /nfs/dbraw/zinc/84/25/94/630842594.db2.gz UPYLOKIDWDBDCR-SSDOTTSWSA-N 0 3 196.254 0.132 20 0 ACADHN C[C@@H](C[NH+](C)C)Nc1cc(=O)[n-]cn1 165318251 630842759 /nfs/dbraw/zinc/84/27/59/630842759.db2.gz FWHUEJJFZMHJCD-ZETCQYMHSA-N 0 3 196.254 0.132 20 0 ACADHN CO[C@H](C)CNCc1cc(C)nn1C 224187783 630844818 /nfs/dbraw/zinc/84/48/18/630844818.db2.gz HISYTJHFKPRQEK-SECBINFHSA-N 0 3 197.282 0.853 20 0 ACADHN CO[C@@H](C)CNCc1cc(C)nn1C 224187728 630844847 /nfs/dbraw/zinc/84/48/47/630844847.db2.gz HISYTJHFKPRQEK-VIFPVBQESA-N 0 3 197.282 0.853 20 0 ACADHN CC[C@H](CO)NCc1cccnc1N 83342306 630844914 /nfs/dbraw/zinc/84/49/14/630844914.db2.gz XFCKTWPFLTZGTF-SECBINFHSA-N 0 3 195.266 0.524 20 0 ACADHN CC(=O)N1C[C@@H]2C[C@H]1CN2CC1CC1 1032239415 630845214 /nfs/dbraw/zinc/84/52/14/630845214.db2.gz HUPKANGQWAZFRG-QWRGUYRKSA-N 0 3 194.278 0.701 20 0 ACADHN COCCNc1ccnc(CO)c1 166287457 630845712 /nfs/dbraw/zinc/84/57/12/630845712.db2.gz DXCFEGMNGUFXKB-UHFFFAOYSA-N 0 3 182.223 0.632 20 0 ACADHN CC[C@@H](CO)NCc1cccnc1N 83342305 630845784 /nfs/dbraw/zinc/84/57/84/630845784.db2.gz XFCKTWPFLTZGTF-VIFPVBQESA-N 0 3 195.266 0.524 20 0 ACADHN CCCN1C[C@@H]2C[C@H]1CN2C(C)=O 1032238881 630846211 /nfs/dbraw/zinc/84/62/11/630846211.db2.gz ZWWYRYMELJRILS-UWVGGRQHSA-N 0 3 182.267 0.701 20 0 ACADHN CC(=O)N1C[C@@H]2C[C@H]1CN2C(C)C 1032238736 630846255 /nfs/dbraw/zinc/84/62/55/630846255.db2.gz WJATVBDWXDULEF-UWVGGRQHSA-N 0 3 182.267 0.700 20 0 ACADHN Cc1ncsc1[C@H](N)CCO 82867838 630847370 /nfs/dbraw/zinc/84/73/70/630847370.db2.gz IFOJIFWOAGPOHQ-ZCFIWIBFSA-N 0 3 172.253 0.834 20 0 ACADHN CC(C)(N)C(=O)Nc1ccc(F)nc1 225376117 630848042 /nfs/dbraw/zinc/84/80/42/630848042.db2.gz MYQKVEUJFPLURJ-UHFFFAOYSA-N 0 3 197.213 0.897 20 0 ACADHN CC[C@H](N)C(=O)Nc1ccc(F)nc1 225376583 630848114 /nfs/dbraw/zinc/84/81/14/630848114.db2.gz HLMCGDYYQPFPSF-ZETCQYMHSA-N 0 3 197.213 0.897 20 0 ACADHN C[C@@H](N)c1cn(CCCF)nn1 167129183 630848451 /nfs/dbraw/zinc/84/84/51/630848451.db2.gz VIGPPBVEYDAURH-ZCFIWIBFSA-N 0 3 172.207 0.657 20 0 ACADHN C[C@H](N)c1cn(CCCF)nn1 167129082 630848570 /nfs/dbraw/zinc/84/85/70/630848570.db2.gz VIGPPBVEYDAURH-LURJTMIESA-N 0 3 172.207 0.657 20 0 ACADHN CCCN1CCN(OC)CC1 226269129 630850432 /nfs/dbraw/zinc/85/04/32/630850432.db2.gz ZRCMGKVEESXYIG-UHFFFAOYSA-N 0 3 158.245 0.575 20 0 ACADHN C[C@H]1CCN(CCF)[C@@H]1CO 227177184 630854994 /nfs/dbraw/zinc/85/49/94/630854994.db2.gz JDZKFBLGFQQKJT-JGVFFNPUSA-N 0 3 161.220 0.659 20 0 ACADHN C[C@@H]1CCN(CCF)[C@@H]1CO 227177179 630855352 /nfs/dbraw/zinc/85/53/52/630855352.db2.gz JDZKFBLGFQQKJT-HTQZYQBOSA-N 0 3 161.220 0.659 20 0 ACADHN CC(=O)N1CCC[C@@H](NCCF)C1 998315379 630858063 /nfs/dbraw/zinc/85/80/63/630858063.db2.gz UUYQXDAPVFUAQX-SECBINFHSA-N 0 3 188.246 0.556 20 0 ACADHN CC(=O)N1CCC[C@H](NCCF)C1 998315414 630858929 /nfs/dbraw/zinc/85/89/29/630858929.db2.gz UUYQXDAPVFUAQX-VIFPVBQESA-N 0 3 188.246 0.556 20 0 ACADHN CO[C@H](C)[C@@H](C)NCc1c[nH]cn1 229381720 630866442 /nfs/dbraw/zinc/86/64/42/630866442.db2.gz SYVBHRJMAUQQLW-HTQZYQBOSA-N 0 3 183.255 0.923 20 0 ACADHN CC[C@](C)(O)Cn1cc([C@@H](C)N)nn1 229424846 630866530 /nfs/dbraw/zinc/86/65/30/630866530.db2.gz FIAWGXDBJDTUGH-APPZFPTMSA-N 0 3 198.270 0.459 20 0 ACADHN CO[C@@H](C)[C@H](C)NCc1c[nH]cn1 229381730 630867361 /nfs/dbraw/zinc/86/73/61/630867361.db2.gz SYVBHRJMAUQQLW-YUMQZZPRSA-N 0 3 183.255 0.923 20 0 ACADHN CC[C@@](C)(O)Cn1cc([C@H](C)N)nn1 229424861 630867891 /nfs/dbraw/zinc/86/78/91/630867891.db2.gz FIAWGXDBJDTUGH-IONNQARKSA-N 0 3 198.270 0.459 20 0 ACADHN CC[C@@](C)(O)Cn1cc([C@@H](C)N)nn1 229424834 630868342 /nfs/dbraw/zinc/86/83/42/630868342.db2.gz FIAWGXDBJDTUGH-VXNVDRBHSA-N 0 3 198.270 0.459 20 0 ACADHN CC[C@](C)(O)Cn1cc([C@H](C)N)nn1 229424871 630868464 /nfs/dbraw/zinc/86/84/64/630868464.db2.gz FIAWGXDBJDTUGH-CBAPKCEASA-N 0 3 198.270 0.459 20 0 ACADHN CO[C@H](C)[C@H](C)NCc1c[nH]cn1 229381741 630868639 /nfs/dbraw/zinc/86/86/39/630868639.db2.gz SYVBHRJMAUQQLW-JGVFFNPUSA-N 0 3 183.255 0.923 20 0 ACADHN CO[C@@H](C)[C@@H](C)NCc1c[nH]cn1 229381709 630868853 /nfs/dbraw/zinc/86/88/53/630868853.db2.gz SYVBHRJMAUQQLW-SFYZADRCSA-N 0 3 183.255 0.923 20 0 ACADHN CC[C@@H](O)CNCc1c[nH]cn1 229966542 630873131 /nfs/dbraw/zinc/87/31/31/630873131.db2.gz JLIZIQLYIPCFAW-MRVPVSSYSA-N 0 3 169.228 0.270 20 0 ACADHN Cc1ccc(CNCCO)cn1 62052956 630873214 /nfs/dbraw/zinc/87/32/14/630873214.db2.gz JAXBWWGIPWIRLG-UHFFFAOYSA-N 0 3 166.224 0.472 20 0 ACADHN Cc1ncoc1CNC[C@H]1CCN1C 922575570 630873415 /nfs/dbraw/zinc/87/34/15/630873415.db2.gz ZTRLFFYEELTAAT-SECBINFHSA-N 0 3 195.266 0.777 20 0 ACADHN Cc1c[nH]nc1CNC[C@@H]1CCN1C 922575579 630874007 /nfs/dbraw/zinc/87/40/07/630874007.db2.gz AAWVFOMMOZFIQG-VIFPVBQESA-N 0 3 194.282 0.512 20 0 ACADHN Cc1ncoc1CNC[C@@H]1CCN1C 922575571 630875281 /nfs/dbraw/zinc/87/52/81/630875281.db2.gz ZTRLFFYEELTAAT-VIFPVBQESA-N 0 3 195.266 0.777 20 0 ACADHN Cc1c[nH]nc1CNC[C@H]1CCN1C 922575578 630875907 /nfs/dbraw/zinc/87/59/07/630875907.db2.gz AAWVFOMMOZFIQG-SECBINFHSA-N 0 3 194.282 0.512 20 0 ACADHN Cc1ccoc1CN[C@H](C)CC(N)=O 158894253 630879434 /nfs/dbraw/zinc/87/94/34/630879434.db2.gz QTMSGMBKGSMTPT-MRVPVSSYSA-N 0 3 196.250 0.942 20 0 ACADHN C[C@@H](CC(N)=O)NCc1cncs1 158893770 630879347 /nfs/dbraw/zinc/87/93/47/630879347.db2.gz NCEVYHQNQOCEGN-LURJTMIESA-N 0 3 199.279 0.497 20 0 ACADHN Cc1ccoc1CN[C@@H](C)CC(N)=O 158894096 630879364 /nfs/dbraw/zinc/87/93/64/630879364.db2.gz QTMSGMBKGSMTPT-QMMMGPOBSA-N 0 3 196.250 0.942 20 0 ACADHN C[C@H](CC(N)=O)NCc1cncs1 158893933 630879410 /nfs/dbraw/zinc/87/94/10/630879410.db2.gz NCEVYHQNQOCEGN-ZCFIWIBFSA-N 0 3 199.279 0.497 20 0 ACADHN Cn1nccc1CN[C@H]1C[C@H](CO)C1 923007814 630890062 /nfs/dbraw/zinc/89/00/62/630890062.db2.gz PBBNQAQRSCQUFT-KYZUINATSA-N 0 3 195.266 0.281 20 0 ACADHN Cc1c[nH]nc1CN[C@H]1C[C@H](CO)C1 923005575 630890673 /nfs/dbraw/zinc/89/06/73/630890673.db2.gz XVTIODAFYFCFPE-KYZUINATSA-N 0 3 195.266 0.579 20 0 ACADHN OC[C@H]1C[C@H](NCc2ccccn2)C1 923006933 630891649 /nfs/dbraw/zinc/89/16/49/630891649.db2.gz FOXMQSRYOKBKIZ-HOMQSWHASA-N 0 3 192.262 0.942 20 0 ACADHN CN(Cc1cnc[nH]1)C1(CO)CCC1 795191298 630927922 /nfs/dbraw/zinc/92/79/22/630927922.db2.gz BHRDVKHRAOCVRG-UHFFFAOYSA-N 0 3 195.266 0.757 20 0 ACADHN C[C@H](N)c1cn(-c2nccs2)nn1 849138490 630960575 /nfs/dbraw/zinc/96/05/75/630960575.db2.gz DDSLNEYEBQNWQP-YFKPBYRVSA-N 0 3 195.251 0.744 20 0 ACADHN C[C@@H](N)c1cn(-c2nccs2)nn1 849138489 630960343 /nfs/dbraw/zinc/96/03/43/630960343.db2.gz DDSLNEYEBQNWQP-RXMQYKEDSA-N 0 3 195.251 0.744 20 0 ACADHN C[C@@H](N)c1cn(-c2ccnn2C)nn1 849151756 630961742 /nfs/dbraw/zinc/96/17/42/630961742.db2.gz YNVUIIXUYCUVEL-ZCFIWIBFSA-N 0 3 192.226 0.021 20 0 ACADHN C[C@H](N)c1cn(-c2ccnn2C)nn1 849151752 630962046 /nfs/dbraw/zinc/96/20/46/630962046.db2.gz YNVUIIXUYCUVEL-LURJTMIESA-N 0 3 192.226 0.021 20 0 ACADHN C[Si](C)(C)Cn1cc(CN)nn1 849137400 630962239 /nfs/dbraw/zinc/96/22/39/630962239.db2.gz XMJKGMFGMHLXJF-UHFFFAOYSA-N 0 3 184.319 0.614 20 0 ACADHN CCNCC(=O)Nc1cc(C)n(C)n1 300890343 631024232 /nfs/dbraw/zinc/02/42/32/631024232.db2.gz OJEAXMMTWMVTSA-UHFFFAOYSA-N 0 3 196.254 0.277 20 0 ACADHN C[C@H]1CNCCN1c1cccnc1 71614458 524694030 /nfs/dbraw/zinc/69/40/30/524694030.db2.gz QONYRLRINCNBFS-VIFPVBQESA-N 0 3 177.251 0.880 20 0 ACADHN COC[C@H](C)N[C@@H](C)c1cnnn1C 924528191 631031929 /nfs/dbraw/zinc/03/19/29/631031929.db2.gz YSQHHHWKQKMWJI-YUMQZZPRSA-N 0 3 198.270 0.501 20 0 ACADHN COC[C@@H](C)N[C@@H](C)c1cnnn1C 924528190 631033191 /nfs/dbraw/zinc/03/31/91/631033191.db2.gz YSQHHHWKQKMWJI-SFYZADRCSA-N 0 3 198.270 0.501 20 0 ACADHN COC[C@H](C)N[C@H](C)c1cnnn1C 924528189 631033512 /nfs/dbraw/zinc/03/35/12/631033512.db2.gz YSQHHHWKQKMWJI-JGVFFNPUSA-N 0 3 198.270 0.501 20 0 ACADHN COC[C@@H](C)N[C@H](C)c1cnnn1C 924528187 631033565 /nfs/dbraw/zinc/03/35/65/631033565.db2.gz YSQHHHWKQKMWJI-HTQZYQBOSA-N 0 3 198.270 0.501 20 0 ACADHN CC[C@@H](CO)N[C@@H](C)c1cnnn1C 924537929 631034714 /nfs/dbraw/zinc/03/47/14/631034714.db2.gz CVUKXVOYYOHDBH-YUMQZZPRSA-N 0 3 198.270 0.237 20 0 ACADHN CC[C@H](CO)N[C@H](C)c1cnnn1C 924537920 631035325 /nfs/dbraw/zinc/03/53/25/631035325.db2.gz CVUKXVOYYOHDBH-HTQZYQBOSA-N 0 3 198.270 0.237 20 0 ACADHN CC[C@@H](CO)N[C@H](C)c1cnnn1C 924537922 631035894 /nfs/dbraw/zinc/03/58/94/631035894.db2.gz CVUKXVOYYOHDBH-SFYZADRCSA-N 0 3 198.270 0.237 20 0 ACADHN CC[C@H](CO)N[C@@H](C)c1cnnn1C 924537921 631036497 /nfs/dbraw/zinc/03/64/97/631036497.db2.gz CVUKXVOYYOHDBH-JGVFFNPUSA-N 0 3 198.270 0.237 20 0 ACADHN C[C@H](O)CCN[C@H](C)c1cnnn1C 925075238 631038061 /nfs/dbraw/zinc/03/80/61/631038061.db2.gz ZYWRUGSSHUECDT-JGVFFNPUSA-N 0 3 198.270 0.237 20 0 ACADHN C[C@H](O)CCN[C@@H](C)c1cnnn1C 925075243 631039453 /nfs/dbraw/zinc/03/94/53/631039453.db2.gz ZYWRUGSSHUECDT-YUMQZZPRSA-N 0 3 198.270 0.237 20 0 ACADHN C[C@@H](NCCCF)c1cnnn1C 925555441 631044773 /nfs/dbraw/zinc/04/47/73/631044773.db2.gz GCBYAWJZJSYXGX-SSDOTTSWSA-N 0 3 186.234 0.825 20 0 ACADHN C[C@H](NCCCF)c1cnnn1C 925555442 631045487 /nfs/dbraw/zinc/04/54/87/631045487.db2.gz GCBYAWJZJSYXGX-ZETCQYMHSA-N 0 3 186.234 0.825 20 0 ACADHN CO[C@@H](C)CN[C@@H](C)c1cnnn1C 926246026 631058448 /nfs/dbraw/zinc/05/84/48/631058448.db2.gz LVRNMQDMFYQJSX-YUMQZZPRSA-N 0 3 198.270 0.501 20 0 ACADHN CO[C@H](C)CN[C@@H](C)c1cnnn1C 926246025 631059423 /nfs/dbraw/zinc/05/94/23/631059423.db2.gz LVRNMQDMFYQJSX-SFYZADRCSA-N 0 3 198.270 0.501 20 0 ACADHN CO[C@H](C)CN[C@H](C)c1cnnn1C 926246015 631060613 /nfs/dbraw/zinc/06/06/13/631060613.db2.gz LVRNMQDMFYQJSX-HTQZYQBOSA-N 0 3 198.270 0.501 20 0 ACADHN CO[C@@H](C)CN[C@H](C)c1cnnn1C 926246024 631061336 /nfs/dbraw/zinc/06/13/36/631061336.db2.gz LVRNMQDMFYQJSX-JGVFFNPUSA-N 0 3 198.270 0.501 20 0 ACADHN C[C@H](NCCN(C)C)c1cnn(C)n1 926420126 631061790 /nfs/dbraw/zinc/06/17/90/631061790.db2.gz JZWHRBRFIRMJEH-QMMMGPOBSA-N 0 3 197.286 0.027 20 0 ACADHN Cc1nonc1[C@H](C)NCCN(C)C 926422581 631062651 /nfs/dbraw/zinc/06/26/51/631062651.db2.gz XOOUEXLIJSHPCU-ZETCQYMHSA-N 0 3 198.270 0.590 20 0 ACADHN C[C@@H](NCCN(C)C)c1cnn(C)n1 926420124 631064106 /nfs/dbraw/zinc/06/41/06/631064106.db2.gz JZWHRBRFIRMJEH-MRVPVSSYSA-N 0 3 197.286 0.027 20 0 ACADHN Cc1nonc1[C@@H](C)NCCN(C)C 926422580 631064161 /nfs/dbraw/zinc/06/41/61/631064161.db2.gz XOOUEXLIJSHPCU-SSDOTTSWSA-N 0 3 198.270 0.590 20 0 ACADHN CC1(C)CNC(=O)[C@H]1N[C@@H]1C=CCC1 926689261 631067334 /nfs/dbraw/zinc/06/73/34/631067334.db2.gz IWMWOGDVHUZJPD-RKDXNWHRSA-N 0 3 194.278 0.819 20 0 ACADHN CC[C@@H](O)CN[C@H](C)c1cnnn1C 926700997 631068110 /nfs/dbraw/zinc/06/81/10/631068110.db2.gz IESCZNGAYZKPMG-HTQZYQBOSA-N 0 3 198.270 0.237 20 0 ACADHN CC[C@@H](O)CN[C@@H](C)c1cnnn1C 926700998 631068908 /nfs/dbraw/zinc/06/89/08/631068908.db2.gz IESCZNGAYZKPMG-JGVFFNPUSA-N 0 3 198.270 0.237 20 0 ACADHN CC1(C)CNC(=O)[C@H]1N[C@H]1C=CCC1 926689255 631068914 /nfs/dbraw/zinc/06/89/14/631068914.db2.gz IWMWOGDVHUZJPD-DTWKUNHWSA-N 0 3 194.278 0.819 20 0 ACADHN CC1(C)CNC(=O)[C@@H]1N[C@@H]1C=CCC1 926689252 631069097 /nfs/dbraw/zinc/06/90/97/631069097.db2.gz IWMWOGDVHUZJPD-BDAKNGLRSA-N 0 3 194.278 0.819 20 0 ACADHN CC1(C)CNC(=O)[C@@H]1N[C@H]1C=CCC1 926689258 631069130 /nfs/dbraw/zinc/06/91/30/631069130.db2.gz IWMWOGDVHUZJPD-IUCAKERBSA-N 0 3 194.278 0.819 20 0 ACADHN CC[C@@H](CO)N1C[C@H](C)O[C@H](C)C1 929125092 631080820 /nfs/dbraw/zinc/08/08/20/631080820.db2.gz NFKFLWPQYJKONM-AEJSXWLSSA-N 0 3 187.283 0.867 20 0 ACADHN CC[C@H](CO)N1C[C@H](C)O[C@H](C)C1 929125093 631081446 /nfs/dbraw/zinc/08/14/46/631081446.db2.gz NFKFLWPQYJKONM-KXUCPTDWSA-N 0 3 187.283 0.867 20 0 ACADHN COC(=O)/C=C(/C)CN(C)CCO 929245018 631085052 /nfs/dbraw/zinc/08/50/52/631085052.db2.gz RKXNTFAVQQNYGD-VURMDHGXSA-N 0 3 187.239 0.030 20 0 ACADHN COC(=O)/C=C(\C)CN(C)CCO 929245017 631086803 /nfs/dbraw/zinc/08/68/03/631086803.db2.gz RKXNTFAVQQNYGD-SOFGYWHQSA-N 0 3 187.239 0.030 20 0 ACADHN CCN1CCN(CCOC2CC2)CC1 929212930 631087121 /nfs/dbraw/zinc/08/71/21/631087121.db2.gz VTAFEHYBXYYBQN-UHFFFAOYSA-N 0 3 198.310 0.803 20 0 ACADHN CC[C@H]1CN([C@@H](CC)CO)CCO1 929256330 631087763 /nfs/dbraw/zinc/08/77/63/631087763.db2.gz BOATVDFQFLADEB-UWVGGRQHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H]1CN([C@H](CC)CO)CCO1 929256329 631088028 /nfs/dbraw/zinc/08/80/28/631088028.db2.gz BOATVDFQFLADEB-NXEZZACHSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@@H]1C[C@H]1CN(C)CC(=O)NC 929258798 631088070 /nfs/dbraw/zinc/08/80/70/631088070.db2.gz FYGRPJGZCBTJGA-BDAKNGLRSA-N 0 3 184.283 0.710 20 0 ACADHN CC[C@@H]1C[C@H]1CN(C)CC(N)=O 929261466 631088130 /nfs/dbraw/zinc/08/81/30/631088130.db2.gz KIUCGGRBECDVJN-SFYZADRCSA-N 0 3 170.256 0.450 20 0 ACADHN CC[C@@H](CO)N1CCO[C@H](CC)C1 929256331 631089928 /nfs/dbraw/zinc/08/99/28/631089928.db2.gz BOATVDFQFLADEB-VHSXEESVSA-N 0 3 187.283 0.868 20 0 ACADHN CC[C@H]1CN([C@H](CC)CO)CCO1 929256332 631090473 /nfs/dbraw/zinc/09/04/73/631090473.db2.gz BOATVDFQFLADEB-ZJUUUORDSA-N 0 3 187.283 0.868 20 0 ACADHN CNC(=O)CN(C)CC1CC(C)C1 929259105 631090481 /nfs/dbraw/zinc/09/04/81/631090481.db2.gz QRBUPSZAXHDROD-UHFFFAOYSA-N 0 3 184.283 0.710 20 0 ACADHN COCCN(C)C(COC)COC 929318799 631091585 /nfs/dbraw/zinc/09/15/85/631091585.db2.gz CKPWWTWWFKUSJZ-UHFFFAOYSA-N 0 3 191.271 0.226 20 0 ACADHN COCCN(C)CCOC1CC1 929318948 631092430 /nfs/dbraw/zinc/09/24/30/631092430.db2.gz FXFUISOCIHRRSQ-UHFFFAOYSA-N 0 3 173.256 0.744 20 0 ACADHN C1COCCN(CCOC2CC2)C1 929409030 631093186 /nfs/dbraw/zinc/09/31/86/631093186.db2.gz CHQIQZIXHCFZPR-UHFFFAOYSA-N 0 3 185.267 0.888 20 0 ACADHN CCn1nncc1CNC(C)(C)CO 929497832 631094025 /nfs/dbraw/zinc/09/40/25/631094025.db2.gz MSDRKFIYUJAQML-UHFFFAOYSA-N 0 3 198.270 0.159 20 0 ACADHN CC[C@@H]1C[C@H]1CN1CCCNC(=O)C1 929482109 631094281 /nfs/dbraw/zinc/09/42/81/631094281.db2.gz LUEYWXXSAWYWRT-ZJUUUORDSA-N 0 3 196.294 0.854 20 0 ACADHN CC1CC(CN2CCCNC(=O)C2)C1 929482915 631095567 /nfs/dbraw/zinc/09/55/67/631095567.db2.gz WFGNTTJPAJPFLL-UHFFFAOYSA-N 0 3 196.294 0.854 20 0 ACADHN CN(CCOC1CC1)[C@@H]1CCOC1 929598878 631097061 /nfs/dbraw/zinc/09/70/61/631097061.db2.gz FBPYNKXVPQWFGD-SECBINFHSA-N 0 3 185.267 0.886 20 0 ACADHN CN(CCOC1CC1)[C@H]1CCOC1 929598879 631098461 /nfs/dbraw/zinc/09/84/61/631098461.db2.gz FBPYNKXVPQWFGD-VIFPVBQESA-N 0 3 185.267 0.886 20 0 ACADHN CC[C@H](CO)N1CCc2cn[nH]c2C1 930068927 631105383 /nfs/dbraw/zinc/10/53/83/631105383.db2.gz MFUGNFJRPNEUGW-SECBINFHSA-N 0 3 195.266 0.539 20 0 ACADHN CC[C@@H](CO)N1CCc2cn[nH]c2C1 930068928 631105839 /nfs/dbraw/zinc/10/58/39/631105839.db2.gz MFUGNFJRPNEUGW-VIFPVBQESA-N 0 3 195.266 0.539 20 0 ACADHN CC[C@H](CO)N1CC[C@@](F)(CO)C1 930361200 631110968 /nfs/dbraw/zinc/11/09/68/631110968.db2.gz SDMOGACKZWWSKU-BDAKNGLRSA-N 0 3 191.246 0.164 20 0 ACADHN CC[C@H](CO)N1CC[C@](F)(CO)C1 930361203 631111448 /nfs/dbraw/zinc/11/14/48/631111448.db2.gz SDMOGACKZWWSKU-RKDXNWHRSA-N 0 3 191.246 0.164 20 0 ACADHN CC[C@@H](CO)N1CC[C@](F)(CO)C1 930361201 631112012 /nfs/dbraw/zinc/11/20/12/631112012.db2.gz SDMOGACKZWWSKU-DTWKUNHWSA-N 0 3 191.246 0.164 20 0 ACADHN CC[C@@H](CO)N1CC[C@@](F)(CO)C1 930361202 631112462 /nfs/dbraw/zinc/11/24/62/631112462.db2.gz SDMOGACKZWWSKU-IUCAKERBSA-N 0 3 191.246 0.164 20 0 ACADHN CCCN1[C@H](C)C(=O)N[C@H](C)[C@H]1C 930832501 631115524 /nfs/dbraw/zinc/11/55/24/631115524.db2.gz JQSBINGHGJCOFD-IWSPIJDZSA-N 0 3 184.283 0.994 20 0 ACADHN CCCN1[C@@H](C)[C@H](C)NC(=O)[C@H]1C 930832502 631116240 /nfs/dbraw/zinc/11/62/40/631116240.db2.gz JQSBINGHGJCOFD-XHNCKOQMSA-N 0 3 184.283 0.994 20 0 ACADHN CCCN1[C@@H](C)[C@@H](C)NC(=O)[C@H]1C 930832500 631116561 /nfs/dbraw/zinc/11/65/61/631116561.db2.gz JQSBINGHGJCOFD-HRDYMLBCSA-N 0 3 184.283 0.994 20 0 ACADHN CCCN1[C@H](C)C(=O)N[C@@H](C)[C@H]1C 930832499 631116696 /nfs/dbraw/zinc/11/66/96/631116696.db2.gz JQSBINGHGJCOFD-DJLDLDEBSA-N 0 3 184.283 0.994 20 0 ACADHN CC[C@H](CO)N[C@H](C)c1n[nH]c(C)n1 931772330 631128754 /nfs/dbraw/zinc/12/87/54/631128754.db2.gz LEWVJPQTVIYKFF-HTRCEHHLSA-N 0 3 198.270 0.535 20 0 ACADHN CC[C@@H](CO)N[C@@H](C)c1n[nH]c(C)n1 931772333 631129074 /nfs/dbraw/zinc/12/90/74/631129074.db2.gz LEWVJPQTVIYKFF-XPUUQOCRSA-N 0 3 198.270 0.535 20 0 ACADHN CCc1nc(CN[C@@H](CC)CO)n[nH]1 931773482 631129691 /nfs/dbraw/zinc/12/96/91/631129691.db2.gz GDWGTLKGUIZSLS-ZETCQYMHSA-N 0 3 198.270 0.228 20 0 ACADHN CC[C@H](CO)N[C@@H](C)c1n[nH]c(C)n1 931772331 631129729 /nfs/dbraw/zinc/12/97/29/631129729.db2.gz LEWVJPQTVIYKFF-POYBYMJQSA-N 0 3 198.270 0.535 20 0 ACADHN CCc1nc(CN[C@H](CC)CO)n[nH]1 931773476 631129955 /nfs/dbraw/zinc/12/99/55/631129955.db2.gz GDWGTLKGUIZSLS-SSDOTTSWSA-N 0 3 198.270 0.228 20 0 ACADHN CC[C@@H](CO)N[C@H](C)c1n[nH]c(C)n1 931772332 631130042 /nfs/dbraw/zinc/13/00/42/631130042.db2.gz LEWVJPQTVIYKFF-SVRRBLITSA-N 0 3 198.270 0.535 20 0 ACADHN CC(=O)CN[C@@H]1COC[C@H]1C 932489327 631134745 /nfs/dbraw/zinc/13/47/45/631134745.db2.gz PHYZSZNHJZSZCS-HTRCEHHLSA-N 0 3 157.213 0.200 20 0 ACADHN CC(=O)CN[C@H]1COC[C@H]1C 932489330 631135428 /nfs/dbraw/zinc/13/54/28/631135428.db2.gz PHYZSZNHJZSZCS-SVRRBLITSA-N 0 3 157.213 0.200 20 0 ACADHN CC(=O)CN[C@@H]1COC[C@@H]1C 932489329 631135505 /nfs/dbraw/zinc/13/55/05/631135505.db2.gz PHYZSZNHJZSZCS-POYBYMJQSA-N 0 3 157.213 0.200 20 0 ACADHN CC(=O)CN[C@H]1COC[C@@H]1C 932489332 631135874 /nfs/dbraw/zinc/13/58/74/631135874.db2.gz PHYZSZNHJZSZCS-XPUUQOCRSA-N 0 3 157.213 0.200 20 0 ACADHN OC[C@H]1CCN1CCOCC1CCC1 934011669 631142833 /nfs/dbraw/zinc/14/28/33/631142833.db2.gz MKOCGJSMSJNRAK-LLVKDONJSA-N 0 3 199.294 0.870 20 0 ACADHN OC[C@@H]1CCN1CCOCC1CCC1 934011670 631142922 /nfs/dbraw/zinc/14/29/22/631142922.db2.gz MKOCGJSMSJNRAK-NSHDSACASA-N 0 3 199.294 0.870 20 0 ACADHN C1C[C@H]2[C@@H](CO1)OCCN2CC1CC1 933970515 631142927 /nfs/dbraw/zinc/14/29/27/631142927.db2.gz KCRYIKQWCUPWSN-WDEREUQCSA-N 0 3 197.278 0.886 20 0 ACADHN Cc1nccn1CCN1CC[C@@H]1CO 934017191 631143105 /nfs/dbraw/zinc/14/31/05/631143105.db2.gz FRFMERCPRMGIFW-SNVBAGLBSA-N 0 3 195.266 0.258 20 0 ACADHN Cc1nccn1CCN1CC[C@H]1CO 934017189 631143693 /nfs/dbraw/zinc/14/36/93/631143693.db2.gz FRFMERCPRMGIFW-JTQLQIEISA-N 0 3 195.266 0.258 20 0 ACADHN CCCCCCN(C)CC(N)=O 39322780 631150762 /nfs/dbraw/zinc/15/07/62/631150762.db2.gz NDGHACYWDAZONG-UHFFFAOYSA-N 0 3 172.272 0.984 20 0 ACADHN C[C@H](N)C(=O)NCCc1ccncc1 40457680 631153450 /nfs/dbraw/zinc/15/34/50/631153450.db2.gz NRFLPHBHFYSCIG-QMMMGPOBSA-N 0 3 193.250 0.088 20 0 ACADHN CC[C@H](C)[C@H](N)C(=O)N(C)OC 40859537 631153493 /nfs/dbraw/zinc/15/34/93/631153493.db2.gz WCYLQLNJSDTVPN-BQBZGAKWSA-N 0 3 174.244 0.380 20 0 ACADHN CC[C@@H](C)[C@H](N)C(=O)N(C)OC 40859535 631153792 /nfs/dbraw/zinc/15/37/92/631153792.db2.gz WCYLQLNJSDTVPN-RQJHMYQMSA-N 0 3 174.244 0.380 20 0 ACADHN CCOCCn1cc([C@H](C)N)nn1 158977399 631154596 /nfs/dbraw/zinc/15/45/96/631154596.db2.gz BDWMEHPXSQCHGV-ZETCQYMHSA-N 0 3 184.243 0.334 20 0 ACADHN Cc1cc(CNCCO)c(C)o1 159123108 631154773 /nfs/dbraw/zinc/15/47/73/631154773.db2.gz DUYROUPPMLSYHL-UHFFFAOYSA-N 0 3 169.224 0.978 20 0 ACADHN C=CCN1CCN(CCCCO)CC1 80720511 631156884 /nfs/dbraw/zinc/15/68/84/631156884.db2.gz MMJDDAPNKLJNOR-UHFFFAOYSA-N 0 3 198.310 0.563 20 0 ACADHN COC(=O)N(C)C1CCN(C)CC1 82254750 631157197 /nfs/dbraw/zinc/15/71/97/631157197.db2.gz YFEAYCBMUBSVKB-UHFFFAOYSA-N 0 3 186.255 0.779 20 0 ACADHN NCC(=O)N1CCC2(CCCC2)C1 83928481 631157870 /nfs/dbraw/zinc/15/78/70/631157870.db2.gz RSBWKMSUYLBUEI-UHFFFAOYSA-N 0 3 182.267 0.738 20 0 ACADHN CCCCN1CCCNC(=O)C1 196436720 631159066 /nfs/dbraw/zinc/15/90/66/631159066.db2.gz YLZDCRTUEAWUOM-UHFFFAOYSA-N 0 3 170.256 0.608 20 0 ACADHN CCO[N-]C(=O)[C@H]1CC[N@@H+](C)C1 306237687 631168820 /nfs/dbraw/zinc/16/88/20/631168820.db2.gz OKFUYOLKUKZRKS-ZETCQYMHSA-N 0 3 172.228 0.006 20 0 ACADHN CCCN1CCC2(C1)OCCO2 306169931 631167847 /nfs/dbraw/zinc/16/78/47/631167847.db2.gz RNGRANOLXBUERF-UHFFFAOYSA-N 0 3 171.240 0.845 20 0 ACADHN CCO[N-]C(=O)[C@@H]1CC[N@H+](C)C1 306237686 631168052 /nfs/dbraw/zinc/16/80/52/631168052.db2.gz OKFUYOLKUKZRKS-SSDOTTSWSA-N 0 3 172.228 0.006 20 0 ACADHN CCO[N-]C(=O)[C@@H]1CC[N@@H+](C)C1 306237686 631168054 /nfs/dbraw/zinc/16/80/54/631168054.db2.gz OKFUYOLKUKZRKS-SSDOTTSWSA-N 0 3 172.228 0.006 20 0 ACADHN CCO[N-]C(=O)[C@H]1CC[N@H+](C)C1 306237687 631168817 /nfs/dbraw/zinc/16/88/17/631168817.db2.gz OKFUYOLKUKZRKS-ZETCQYMHSA-N 0 3 172.228 0.006 20 0 ACADHN CCC(=O)N1CC[C@H](NCCF)C1 1018379224 631172026 /nfs/dbraw/zinc/17/20/26/631172026.db2.gz VLIPRUSIQUPFBF-QMMMGPOBSA-N 0 3 188.246 0.556 20 0 ACADHN C[C@H](N)C(=O)N1CCC(C)(C)C1 83928645 524817760 /nfs/dbraw/zinc/81/77/60/524817760.db2.gz VRVPIAYTBNGYBK-ZETCQYMHSA-N 0 3 170.256 0.592 20 0 ACADHN C[C@@H](N)C(=O)NC[C@@H]1CC1(C)C 225469390 524986760 /nfs/dbraw/zinc/98/67/60/524986760.db2.gz UGHVHIQQGCFHLB-RQJHMYQMSA-N 0 3 170.256 0.496 20 0 ACADHN Cc1ccc(NC(=O)C2(N)CC2)nc1 83834006 525020668 /nfs/dbraw/zinc/02/06/68/525020668.db2.gz DFGMLHWIXJZVJU-UHFFFAOYSA-N 0 3 191.234 0.820 20 0 ACADHN C[C@@H]1CNCCN1c1cccnc1 71614455 525093212 /nfs/dbraw/zinc/09/32/12/525093212.db2.gz QONYRLRINCNBFS-SECBINFHSA-N 0 3 177.251 0.880 20 0 ACADHN C[C@H]1C[C@@H](C)N(C(=O)CN)C1 157746429 525389747 /nfs/dbraw/zinc/38/97/47/525389747.db2.gz AZEHLAMRSYGTIL-NKWVEPMBSA-N 0 3 156.229 0.202 20 0 ACADHN CC(=O)NCCNCc1cccnc1 20148759 1224164038 /nfs/dbraw/zinc/16/40/38/1224164038.db2.gz QSKLLOHYPHOOSF-UHFFFAOYSA-N 0 3 193.250 0.307 20 0 ACADHN c1cc(CNC[C@@H]2CCOC2)n[nH]1 37738680 1224166515 /nfs/dbraw/zinc/16/65/15/1224166515.db2.gz PNOGBKQJXJOVJF-QMMMGPOBSA-N 0 3 181.239 0.536 20 0 ACADHN c1cc(CNC[C@H]2CCOC2)n[nH]1 37738681 1224166802 /nfs/dbraw/zinc/16/68/02/1224166802.db2.gz PNOGBKQJXJOVJF-MRVPVSSYSA-N 0 3 181.239 0.536 20 0 ACADHN CC(=O)NOCCN1CCCCC1 62578132 1224172609 /nfs/dbraw/zinc/17/26/09/1224172609.db2.gz CHAJMIDPEKSCQP-UHFFFAOYSA-N 0 3 186.255 0.540 20 0 ACADHN CCC(C)(C)N(C)C(=O)[C@H](C)N 69013051 1224175046 /nfs/dbraw/zinc/17/50/46/1224175046.db2.gz OFPJYFBPNMTIJL-ZETCQYMHSA-N 0 3 172.272 0.981 20 0 ACADHN CCC(C)(C)N(C)C(=O)[C@@H](C)N 69013049 1224175158 /nfs/dbraw/zinc/17/51/58/1224175158.db2.gz OFPJYFBPNMTIJL-SSDOTTSWSA-N 0 3 172.272 0.981 20 0 ACADHN C=CCN(CC)CCNC(C)=O 146539888 1224188863 /nfs/dbraw/zinc/18/88/63/1224188863.db2.gz CHHOLSWCSHXKSC-UHFFFAOYSA-N 0 3 170.256 0.630 20 0 ACADHN C[NH+](C)CCCNc1cc(=O)[n-]cn1 165178228 1224196020 /nfs/dbraw/zinc/19/60/20/1224196020.db2.gz ZAJUOMKEMDBBKZ-UHFFFAOYSA-N 0 3 196.254 0.134 20 0 ACADHN C/C=C\C(=O)N[C@H]1CN2CCC1CC2 206389658 1224215750 /nfs/dbraw/zinc/21/57/50/1224215750.db2.gz RPGRBXKSTNVRRC-ZMWSMAPVSA-N 0 3 194.278 0.773 20 0 ACADHN C/C=C\C(=O)N[C@@H]1CN2CCC1CC2 206389629 1224215815 /nfs/dbraw/zinc/21/58/15/1224215815.db2.gz RPGRBXKSTNVRRC-MXQLGCADSA-N 0 3 194.278 0.773 20 0 ACADHN CO[C@@H](CN)C(=O)NC1(C)CCC1 227405539 1224227125 /nfs/dbraw/zinc/22/71/25/1224227125.db2.gz KDANPTUCYXBICI-ZETCQYMHSA-N 0 3 186.255 0.019 20 0 ACADHN CO[C@@H](CN)C(=O)N[C@@H]1CC=CCC1 227388332 1224227353 /nfs/dbraw/zinc/22/73/53/1224227353.db2.gz CDVXWKUDVBUKSU-BDAKNGLRSA-N 0 3 198.266 0.185 20 0 ACADHN CO[C@@H](CN)C(=O)N[C@H]1CC=CCC1 227388344 1224228226 /nfs/dbraw/zinc/22/82/26/1224228226.db2.gz CDVXWKUDVBUKSU-IUCAKERBSA-N 0 3 198.266 0.185 20 0 ACADHN CC(C)(CC(N)=O)NCc1c[nH]cn1 232526907 1224234127 /nfs/dbraw/zinc/23/41/27/1224234127.db2.gz XRBDVASSOQRNGL-UHFFFAOYSA-N 0 3 196.254 0.153 20 0 ACADHN CC(C)(CC(N)=O)NCc1cnc[nH]1 232526907 1224234145 /nfs/dbraw/zinc/23/41/45/1224234145.db2.gz XRBDVASSOQRNGL-UHFFFAOYSA-N 0 3 196.254 0.153 20 0 ACADHN CC[C@@H](N)C(=O)N[C@H]1C=CCCC1 306267913 1224249250 /nfs/dbraw/zinc/24/92/50/1224249250.db2.gz QSFAHZLXZDGOCU-DTWKUNHWSA-N 0 3 182.267 0.949 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H]1C=CCCC1 306267914 1224249413 /nfs/dbraw/zinc/24/94/13/1224249413.db2.gz QSFAHZLXZDGOCU-RKDXNWHRSA-N 0 3 182.267 0.949 20 0 ACADHN Cc1noc(C)c1N(C)C(=O)[C@@H](C)N 306445479 1224260293 /nfs/dbraw/zinc/26/02/93/1224260293.db2.gz SUMBZOQWALBJGR-RXMQYKEDSA-N 0 3 197.238 0.601 20 0 ACADHN Cc1noc(C)c1N(C)C(=O)[C@H](C)N 306445481 1224260671 /nfs/dbraw/zinc/26/06/71/1224260671.db2.gz SUMBZOQWALBJGR-YFKPBYRVSA-N 0 3 197.238 0.601 20 0 ACADHN C[C@@H](N[C@H]1COC(C)(C)C1)C(N)=O 307149967 1224278635 /nfs/dbraw/zinc/27/86/35/1224278635.db2.gz SCYAWWGAYGPFED-RNFRBKRXSA-N 0 3 186.255 0.017 20 0 ACADHN Cc1cc(CN[C@H]2CCOC2)[nH]n1 307153469 1224278722 /nfs/dbraw/zinc/27/87/22/1224278722.db2.gz BVRVCBBZARMIEV-QMMMGPOBSA-N 0 3 181.239 0.597 20 0 ACADHN Cc1cc(CN[C@@H]2CCOC2)[nH]n1 307153463 1224278748 /nfs/dbraw/zinc/27/87/48/1224278748.db2.gz BVRVCBBZARMIEV-MRVPVSSYSA-N 0 3 181.239 0.597 20 0 ACADHN C[C@@H](N[C@@H]1COC(C)(C)C1)C(N)=O 307149968 1224279008 /nfs/dbraw/zinc/27/90/08/1224279008.db2.gz SCYAWWGAYGPFED-RQJHMYQMSA-N 0 3 186.255 0.017 20 0 ACADHN Cc1ncc(CNC(=O)C2(N)CC2)o1 307177885 1224279319 /nfs/dbraw/zinc/27/93/19/1224279319.db2.gz XRLPLESMQHTQAQ-UHFFFAOYSA-N 0 3 195.222 0.091 20 0 ACADHN C[C@@H](N)C(=O)NCCC(F)F 307682500 1224290406 /nfs/dbraw/zinc/29/04/06/1224290406.db2.gz FHHDRIDDTBLSBF-SCSAIBSYSA-N 0 3 166.171 0.105 20 0 ACADHN C[C@H](N)C(=O)NCCC(F)F 307682499 1224290487 /nfs/dbraw/zinc/29/04/87/1224290487.db2.gz FHHDRIDDTBLSBF-BYPYZUCNSA-N 0 3 166.171 0.105 20 0 ACADHN CCCC[C@@H](N)C(=O)NCCF 308025245 1224293700 /nfs/dbraw/zinc/29/37/00/1224293700.db2.gz WZHYVQFCFZODOT-SSDOTTSWSA-N 0 3 176.235 0.590 20 0 ACADHN CC(C)N(C)CC(=O)NC1(C)CC1 308136141 1224294828 /nfs/dbraw/zinc/29/48/28/1224294828.db2.gz FMINPPVHLUBQHR-UHFFFAOYSA-N 0 3 184.283 0.995 20 0 ACADHN COCC(C)(C)CNC(=O)[C@@H](C)N 308125237 1224295257 /nfs/dbraw/zinc/29/52/57/1224295257.db2.gz ANYVVKXNAXOPKW-SSDOTTSWSA-N 0 3 188.271 0.122 20 0 ACADHN C[C@H](O)[C@@H](C)N(C)Cc1cn[nH]c1 308287271 1224297673 /nfs/dbraw/zinc/29/76/73/1224297673.db2.gz ZLWWAWPLAGDTHU-SFYZADRCSA-N 0 3 183.255 0.611 20 0 ACADHN C[C@@H](O)[C@@H](C)N(C)Cc1cn[nH]c1 308287269 1224297791 /nfs/dbraw/zinc/29/77/91/1224297791.db2.gz ZLWWAWPLAGDTHU-HTQZYQBOSA-N 0 3 183.255 0.611 20 0 ACADHN C[C@@H]([C@@H](C)O)N(C)Cc1cn[nH]c1 308287270 1224297845 /nfs/dbraw/zinc/29/78/45/1224297845.db2.gz ZLWWAWPLAGDTHU-JGVFFNPUSA-N 0 3 183.255 0.611 20 0 ACADHN CCN(CCNC(C)=O)CCOC 308286284 1224297913 /nfs/dbraw/zinc/29/79/13/1224297913.db2.gz CCOPGPUKNGTDQR-UHFFFAOYSA-N 0 3 188.271 0.091 20 0 ACADHN C[C@H](O)[C@H](C)N(C)Cc1cn[nH]c1 308287273 1224297931 /nfs/dbraw/zinc/29/79/31/1224297931.db2.gz ZLWWAWPLAGDTHU-YUMQZZPRSA-N 0 3 183.255 0.611 20 0 ACADHN CCCO[N-]C(=O)[C@H]1CCC[NH2+]C1 315023952 1224301199 /nfs/dbraw/zinc/30/11/99/1224301199.db2.gz YZCHXSDUUNMXOP-QMMMGPOBSA-N 0 3 186.255 0.444 20 0 ACADHN CC(C)(CCNC(=O)CN)C1CC1 328574776 1224302932 /nfs/dbraw/zinc/30/29/32/1224302932.db2.gz XFTQUFPRSMECLV-UHFFFAOYSA-N 0 3 184.283 0.888 20 0 ACADHN Cc1cc(CN[C@H](C)[C@H](C)O)[nH]n1 379385785 1224310417 /nfs/dbraw/zinc/31/04/17/1224310417.db2.gz VIYIUYUETCSPHS-SFYZADRCSA-N 0 3 183.255 0.577 20 0 ACADHN Cc1cc(CN[C@@H](C)[C@H](C)O)[nH]n1 379385786 1224310541 /nfs/dbraw/zinc/31/05/41/1224310541.db2.gz VIYIUYUETCSPHS-YUMQZZPRSA-N 0 3 183.255 0.577 20 0 ACADHN Cc1cc(CN[C@H](C)[C@@H](C)O)[nH]n1 379385783 1224310652 /nfs/dbraw/zinc/31/06/52/1224310652.db2.gz VIYIUYUETCSPHS-HTQZYQBOSA-N 0 3 183.255 0.577 20 0 ACADHN Cc1cc(CN[C@@H](C)[C@@H](C)O)[nH]n1 379385784 1224310744 /nfs/dbraw/zinc/31/07/44/1224310744.db2.gz VIYIUYUETCSPHS-JGVFFNPUSA-N 0 3 183.255 0.577 20 0 ACADHN CC(=O)N(C)CCN(C)CCCF 379420110 1224314967 /nfs/dbraw/zinc/31/49/67/1224314967.db2.gz ZRJCONHVOFVKPL-UHFFFAOYSA-N 0 3 190.262 0.756 20 0 ACADHN CCC1(NCc2cnnn2C)CC1 379728883 1224317993 /nfs/dbraw/zinc/31/79/93/1224317993.db2.gz FONPBDBIADXDMN-UHFFFAOYSA-N 0 3 180.255 0.847 20 0 ACADHN CN(Cc1ccon1)C(=O)C1(N)CC1 380272388 1224319231 /nfs/dbraw/zinc/31/92/31/1224319231.db2.gz WSQUTRSXTABUTC-UHFFFAOYSA-N 0 3 195.222 0.124 20 0 ACADHN Cc1ccnc(N2CCN[C@H](C)C2)n1 61858751 525672419 /nfs/dbraw/zinc/67/24/19/525672419.db2.gz PXRWHBOXUHQWSO-SECBINFHSA-N 0 3 192.266 0.583 20 0 ACADHN Cc1ccnc(N2CCN[C@@H](C)C2)n1 61858753 525672773 /nfs/dbraw/zinc/67/27/73/525672773.db2.gz PXRWHBOXUHQWSO-VIFPVBQESA-N 0 3 192.266 0.583 20 0 ACADHN Cc1ccnc(NC(=O)C2(N)CC2)c1 83834020 525674861 /nfs/dbraw/zinc/67/48/61/525674861.db2.gz CCDXPLNFGHKXTI-UHFFFAOYSA-N 0 3 191.234 0.820 20 0 ACADHN CC[C@@H](N)C(=O)N[C@H](C)C(F)F 390012443 1224330867 /nfs/dbraw/zinc/33/08/67/1224330867.db2.gz LMMQYPQBLYITQZ-RFZPGFLSSA-N 0 3 180.198 0.494 20 0 ACADHN CC[C@@H](N)C(=O)N[C@@H](C)C(F)F 390012441 1224331394 /nfs/dbraw/zinc/33/13/94/1224331394.db2.gz LMMQYPQBLYITQZ-CRCLSJGQSA-N 0 3 180.198 0.494 20 0 ACADHN Cc1ccc(CNCC(C)(C)O)nn1 396614749 1224335993 /nfs/dbraw/zinc/33/59/93/1224335993.db2.gz FXRLVDSEQQTMML-UHFFFAOYSA-N 0 3 195.266 0.646 20 0 ACADHN CN(C)C1(CNCc2cc[nH]n2)CC1 397936619 1224339990 /nfs/dbraw/zinc/33/99/90/1224339990.db2.gz OFGAUQQOVMSGIW-UHFFFAOYSA-N 0 3 194.282 0.594 20 0 ACADHN CN(C)C1(CNCc2ncc[nH]2)CC1 397954423 1224340134 /nfs/dbraw/zinc/34/01/34/1224340134.db2.gz YQCVYDDOQQTVCW-UHFFFAOYSA-N 0 3 194.282 0.594 20 0 ACADHN CC[C@@H](N)C(=O)NCc1conc1C 398052999 1224340366 /nfs/dbraw/zinc/34/03/66/1224340366.db2.gz GTTYGYNMHVCFRQ-MRVPVSSYSA-N 0 3 197.238 0.337 20 0 ACADHN CC[C@H](N)C(=O)NCc1conc1C 398053000 1224340580 /nfs/dbraw/zinc/34/05/80/1224340580.db2.gz GTTYGYNMHVCFRQ-QMMMGPOBSA-N 0 3 197.238 0.337 20 0 ACADHN CCON(CC)C(=O)[C@@H](N)C(C)C 401240690 1224340846 /nfs/dbraw/zinc/34/08/46/1224340846.db2.gz VELMMAFTPHPYIA-QMMMGPOBSA-N 0 3 188.271 0.770 20 0 ACADHN O=C(NCCNCCF)c1cc[nH]c1 1127907671 1224367509 /nfs/dbraw/zinc/36/75/09/1224367509.db2.gz IRLSLXZGVQWDBU-UHFFFAOYSA-N 0 3 199.229 0.304 20 0 ACADHN CC1(C(=O)NCCNCCF)CC1 1127833983 1224368004 /nfs/dbraw/zinc/36/80/04/1224368004.db2.gz QAOVUUSBQXRWFF-UHFFFAOYSA-N 0 3 188.246 0.462 20 0 ACADHN Cc1[nH]cnc1CC(=O)NCCF 1156251397 1224371958 /nfs/dbraw/zinc/37/19/58/1224371958.db2.gz IEPXOJVMDGJHMS-UHFFFAOYSA-N 0 3 185.202 0.346 20 0 ACADHN C[C@H](O)CCNCc1ccc(CO)o1 84869839 525729557 /nfs/dbraw/zinc/72/95/57/525729557.db2.gz DNGUUBQEJLKOTK-QMMMGPOBSA-N 0 3 199.250 0.632 20 0 ACADHN C[C@@H](O)CCNCc1ccc(CO)o1 84869840 525771301 /nfs/dbraw/zinc/77/13/01/525771301.db2.gz DNGUUBQEJLKOTK-MRVPVSSYSA-N 0 3 199.250 0.632 20 0 ACADHN Cc1cc(CNC2([C@H](C)O)CC2)[nH]n1 1328321839 1224438192 /nfs/dbraw/zinc/43/81/92/1224438192.db2.gz JVHWEYZKDIFKHY-QMMMGPOBSA-N 0 3 195.266 0.721 20 0 ACADHN Cc1cc(CNC2([C@H](C)O)CC2)n[nH]1 1328321839 1224438198 /nfs/dbraw/zinc/43/81/98/1224438198.db2.gz JVHWEYZKDIFKHY-QMMMGPOBSA-N 0 3 195.266 0.721 20 0 ACADHN Cc1cc(CNC2([C@@H](C)O)CC2)[nH]n1 1328321838 1224438846 /nfs/dbraw/zinc/43/88/46/1224438846.db2.gz JVHWEYZKDIFKHY-MRVPVSSYSA-N 0 3 195.266 0.721 20 0 ACADHN Cc1cc(CNC2([C@@H](C)O)CC2)n[nH]1 1328321838 1224438850 /nfs/dbraw/zinc/43/88/50/1224438850.db2.gz JVHWEYZKDIFKHY-MRVPVSSYSA-N 0 3 195.266 0.721 20 0 ACADHN CC(=O)CCn1cc([C@H](C)N)nn1 1329244936 1224444297 /nfs/dbraw/zinc/44/42/97/1224444297.db2.gz GPWHNLWNKLPIKO-ZETCQYMHSA-N 0 3 182.227 0.277 20 0 ACADHN CC(=O)CCn1cc([C@@H](C)N)nn1 1329244935 1224443885 /nfs/dbraw/zinc/44/38/85/1224443885.db2.gz GPWHNLWNKLPIKO-SSDOTTSWSA-N 0 3 182.227 0.277 20 0 ACADHN CON(C)CCNCc1cc(C)n[nH]1 1330829144 1224448666 /nfs/dbraw/zinc/44/86/66/1224448666.db2.gz HSDVSXUVVAAPNP-UHFFFAOYSA-N 0 3 198.270 0.301 20 0 ACADHN NOCCCN[C@@H]1CCn2ccnc21 1334706575 1224459500 /nfs/dbraw/zinc/45/95/00/1224459500.db2.gz FHRJPWMVZPKJIG-MRVPVSSYSA-N 0 3 196.254 0.198 20 0 ACADHN NOCCCN[C@H]1CCn2ccnc21 1334706576 1224459928 /nfs/dbraw/zinc/45/99/28/1224459928.db2.gz FHRJPWMVZPKJIG-QMMMGPOBSA-N 0 3 196.254 0.198 20 0 ACADHN CC[C@@H](CO)N(C)Cc1cc(C)[nH]n1 1347791434 1224467835 /nfs/dbraw/zinc/46/78/35/1224467835.db2.gz FBRREXATPUJYKA-JTQLQIEISA-N 0 3 197.282 0.921 20 0 ACADHN C[C@@H](O)CN[C@@H](CO)c1cccnc1 1336801958 1224461975 /nfs/dbraw/zinc/46/19/75/1224461975.db2.gz QSUMYZNSKMFNJW-SCZZXKLOSA-N 0 3 196.250 0.085 20 0 ACADHN C[C@@H](O)CN[C@H](CO)c1cccnc1 1336801955 1224462002 /nfs/dbraw/zinc/46/20/02/1224462002.db2.gz QSUMYZNSKMFNJW-PSASIEDQSA-N 0 3 196.250 0.085 20 0 ACADHN CC[C@H](CO)N(C)Cc1cc(C)[nH]n1 1347791436 1224467896 /nfs/dbraw/zinc/46/78/96/1224467896.db2.gz FBRREXATPUJYKA-SNVBAGLBSA-N 0 3 197.282 0.921 20 0 ACADHN Cc1[nH]cnc1CC(=O)NC1CCC1 1468803733 1224479010 /nfs/dbraw/zinc/47/90/10/1224479010.db2.gz ZWLIFPURXNTVFB-UHFFFAOYSA-N 0 3 193.250 0.929 20 0 ACADHN CC[C@@H](C(=O)NCCF)N(C)C 388390479 538431672 /nfs/dbraw/zinc/43/16/72/538431672.db2.gz BMERJCGFWGQJIJ-ZETCQYMHSA-N 0 3 176.235 0.412 20 0 ACADHN CCN(C)[C@@H](CO)COC(C)C 388510084 538433622 /nfs/dbraw/zinc/43/36/22/538433622.db2.gz QNDSNTKJVIHARC-VIFPVBQESA-N 0 3 175.272 0.724 20 0 ACADHN NCC(=O)NC1CC(Cl)(Cl)C1 1574087755 1224491435 /nfs/dbraw/zinc/49/14/35/1224491435.db2.gz PHUIPLLZWKVZNP-UHFFFAOYSA-N 0 3 197.065 0.398 20 0 ACADHN Cc1nocc1NC(=O)[C@@H](N)C(C)C 1574087714 1224491612 /nfs/dbraw/zinc/49/16/12/1224491612.db2.gz MUZBSXZKLYFZKR-QMMMGPOBSA-N 0 3 197.238 0.905 20 0 ACADHN C[C@H](N)C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 1574086219 1224491947 /nfs/dbraw/zinc/49/19/47/1224491947.db2.gz FMSHXOVAHHIMKN-PRJMDXOYSA-N 0 3 198.266 0.017 20 0 ACADHN CON(C(=O)CN)C1CCCC1 1574082598 1224491987 /nfs/dbraw/zinc/49/19/87/1224491987.db2.gz TWLSJQPILPEVSR-UHFFFAOYSA-N 0 3 172.228 0.278 20 0 ACADHN C[C@@H](NC(=O)CN)c1cncc(F)c1 1574084946 1224492094 /nfs/dbraw/zinc/49/20/94/1224492094.db2.gz YHUBLXVSEBWVJH-ZCFIWIBFSA-N 0 3 197.213 0.357 20 0 ACADHN C[C@H](NC(=O)CN)c1cncc(F)c1 1574108428 1224492928 /nfs/dbraw/zinc/49/29/28/1224492928.db2.gz YHUBLXVSEBWVJH-LURJTMIESA-N 0 3 197.213 0.357 20 0 ACADHN C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1F 1574104087 1224492984 /nfs/dbraw/zinc/49/29/84/1224492984.db2.gz FAZOHJKVSMRDSQ-XLPZGREQSA-N 0 3 188.246 0.731 20 0 ACADHN C[C@H](N)C(=O)NN1C[C@H]2CCC[C@H]2C1 1574104650 1224493000 /nfs/dbraw/zinc/49/30/00/1224493000.db2.gz SASRMJKTGNZDSM-XHNCKOQMSA-N 0 3 197.282 0.097 20 0 ACADHN C[C@H](N)C(=O)NN1C[C@H]2CCC[C@@H]2C1 1574104649 1224493035 /nfs/dbraw/zinc/49/30/35/1224493035.db2.gz SASRMJKTGNZDSM-DJLDLDEBSA-N 0 3 197.282 0.097 20 0 ACADHN C[C@H](N)C(=O)NN1C[C@@H]2CCC[C@H]2C1 1574104648 1224493315 /nfs/dbraw/zinc/49/33/15/1224493315.db2.gz SASRMJKTGNZDSM-CIUDSAMLSA-N 0 3 197.282 0.097 20 0 ACADHN C[C@@H](N)C(=O)NN1C[C@@H]2CCC[C@H]2C1 1579399446 1224494266 /nfs/dbraw/zinc/49/42/66/1224494266.db2.gz SASRMJKTGNZDSM-VGMNWLOBSA-N 0 3 197.282 0.097 20 0 ACADHN C[C@@H]1C[C@H]1CNC1(C(N)=O)CC1 388499966 538433310 /nfs/dbraw/zinc/43/33/10/538433310.db2.gz LOILUDNPUKHWRK-RQJHMYQMSA-N 0 3 168.240 0.250 20 0 ACADHN C[C@H]1C[C@H]1CNC1(C(N)=O)CC1 388499951 538433324 /nfs/dbraw/zinc/43/33/24/538433324.db2.gz LOILUDNPUKHWRK-BQBZGAKWSA-N 0 3 168.240 0.250 20 0 ACADHN C[C@@H](N)C(=O)NN1C[C@H]2CCC[C@@H]2C1 1579399445 1224494614 /nfs/dbraw/zinc/49/46/14/1224494614.db2.gz SASRMJKTGNZDSM-IWSPIJDZSA-N 0 3 197.282 0.097 20 0 ACADHN CN(CCO)CCOC1CCC1 388510803 538433425 /nfs/dbraw/zinc/43/34/25/538433425.db2.gz QZEQGLGSAKJZNJ-UHFFFAOYSA-N 0 3 173.256 0.480 20 0 ACADHN C[C@H]1C[C@@H]1CNC1(C(N)=O)CC1 388499954 538433448 /nfs/dbraw/zinc/43/34/48/538433448.db2.gz LOILUDNPUKHWRK-NKWVEPMBSA-N 0 3 168.240 0.250 20 0 ACADHN CCN(C)[C@H](CO)COC(C)C 388510081 538433474 /nfs/dbraw/zinc/43/34/74/538433474.db2.gz QNDSNTKJVIHARC-SECBINFHSA-N 0 3 175.272 0.724 20 0 ACADHN C[C@@H](NCc1cccc(N)c1)C(N)=O 1579414598 1224495882 /nfs/dbraw/zinc/49/58/82/1224495882.db2.gz HDCLYBBCRIULQL-SSDOTTSWSA-N 0 3 193.250 0.232 20 0 ACADHN CN(CCCF)[C@]1(CO)CCOC1 388592533 538433952 /nfs/dbraw/zinc/43/39/52/538433952.db2.gz MFGOBTYJPCKVGP-VIFPVBQESA-N 0 3 191.246 0.429 20 0 ACADHN C[C@H](O)CNC(C)(C)c1cnn(C)c1 389294837 538440259 /nfs/dbraw/zinc/44/02/59/538440259.db2.gz FSGUGIFMXMQRIL-QMMMGPOBSA-N 0 3 197.282 0.626 20 0 ACADHN CCn1nncc1CNC1(C)CC1 1655632290 1224515395 /nfs/dbraw/zinc/51/53/95/1224515395.db2.gz NSUANHKCYBNXBU-UHFFFAOYSA-N 0 3 180.255 0.940 20 0 ACADHN Cc1cncc(N2CCNCC2)c1 82870029 526205960 /nfs/dbraw/zinc/20/59/60/526205960.db2.gz JFLZPJDEGUNYEV-UHFFFAOYSA-N 0 3 177.251 0.800 20 0 ACADHN O=c1cc[nH]c(N2CCNCC2)c1 83254399 526376160 /nfs/dbraw/zinc/37/61/60/526376160.db2.gz UPGXHFHYQUMKDZ-UHFFFAOYSA-N 0 3 179.223 0.197 20 0 ACADHN c1c(NC2CC2)nnc2c1CNCC2 259498788 526402102 /nfs/dbraw/zinc/40/21/02/526402102.db2.gz QKWUSRVHZIEYKH-UHFFFAOYSA-N 0 3 190.250 0.697 20 0 ACADHN NC1(C(=O)NCC(F)(F)F)CCC1 88050152 527126047 /nfs/dbraw/zinc/12/60/47/527126047.db2.gz CDTJAJZFJPQHTK-UHFFFAOYSA-N 0 3 196.172 0.546 20 0 ACADHN NC1(C(=O)N2C[C@H]3CCC[C@@H]3C2)CC1 133124814 527126134 /nfs/dbraw/zinc/12/61/34/527126134.db2.gz ZAOFZGBBRYIKGW-RKDXNWHRSA-N 0 3 194.278 0.736 20 0 ACADHN NC1(C(=O)N[C@@H]2CCCOC2)CCC1 88051143 527128228 /nfs/dbraw/zinc/12/82/28/527128228.db2.gz SBLLWSXLOQFJGV-MRVPVSSYSA-N 0 3 198.266 0.163 20 0 ACADHN NC1(C(=O)Nc2ccccc2O)CC1 83836336 527129950 /nfs/dbraw/zinc/12/99/50/527129950.db2.gz WCBBUNQLTMTGLX-UHFFFAOYSA-N 0 3 192.218 0.822 20 0 ACADHN Cc1ncc(N2CCNCC2)cn1 82870565 527289066 /nfs/dbraw/zinc/28/90/66/527289066.db2.gz RLUYCFNELHUECE-UHFFFAOYSA-N 0 3 178.239 0.195 20 0 ACADHN Cc1ncncc1N1CCNCC1 82870564 527466622 /nfs/dbraw/zinc/46/66/22/527466622.db2.gz RXMGKCDNQLRZCB-UHFFFAOYSA-N 0 3 178.239 0.195 20 0 ACADHN