smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCC[C@@H](C)NCc1ccno1 219172573 697685763 /nfs/dbraw/zinc/68/57/63/697685763.db2.gz MCSOFJHNVUZGQI-SNVBAGLBSA-N 0 3 196.294 2.733 20 0 AFADHN CCCCC[C@H](C)NCc1ccno1 219172635 697685772 /nfs/dbraw/zinc/68/57/72/697685772.db2.gz MCSOFJHNVUZGQI-JTQLQIEISA-N 0 3 196.294 2.733 20 0 AFADHN Cl/C=C\CNCc1ccccc1 223915693 697687766 /nfs/dbraw/zinc/68/77/66/697687766.db2.gz LBIPIFQGIIRCQG-DAXSKMNVSA-N 0 3 181.666 2.529 20 0 AFADHN CC1(C)CCCN(C/C=C/Cl)C1 306148954 697721795 /nfs/dbraw/zinc/72/17/95/697721795.db2.gz CUWHXWGYDPRLBY-GQCTYLIASA-N 0 3 187.714 2.861 20 0 AFADHN CCC1CCN(C/C=C/Cl)CC1 306494814 697729258 /nfs/dbraw/zinc/72/92/58/697729258.db2.gz BGLSVCYZUPRWNX-ZZXKWVIFSA-N 0 3 187.714 2.861 20 0 AFADHN CC(C)N(C/C=C/Cl)C1CC1 307666145 697748266 /nfs/dbraw/zinc/74/82/66/697748266.db2.gz DBLKEMHPSZMMGN-ZZXKWVIFSA-N 0 3 173.687 2.612 20 0 AFADHN CC(C)N(C/C=C\Cl)C1CC1 379153493 697798463 /nfs/dbraw/zinc/79/84/63/697798463.db2.gz DBLKEMHPSZMMGN-UTCJRWHESA-N 0 3 173.687 2.612 20 0 AFADHN CN(C/C=C\Cl)CC(C)(C)C 379240215 697800906 /nfs/dbraw/zinc/80/09/06/697800906.db2.gz WGZJSTFLQQUJTC-WAYWQWQTSA-N 0 3 175.703 2.717 20 0 AFADHN CC/C=C\CNCc1cnc(C)s1 384877558 697931258 /nfs/dbraw/zinc/93/12/58/697931258.db2.gz HNEIYPDMWLSERR-PLNGDYQASA-N 0 3 196.319 2.507 20 0 AFADHN CC/C=C/CNCc1cnc(C)s1 384877565 697931578 /nfs/dbraw/zinc/93/15/78/697931578.db2.gz HNEIYPDMWLSERR-SNAWJCMRSA-N 0 3 196.319 2.507 20 0 AFADHN Cl/C=C\CNCc1cccs1 387825474 697939155 /nfs/dbraw/zinc/93/91/55/697939155.db2.gz VBBCNROLNIHDOM-RQOWECAXSA-N 0 3 187.695 2.590 20 0 AFADHN Cl/C=C\CN1CCC(C2CC2)CC1 388368766 697955484 /nfs/dbraw/zinc/95/54/84/697955484.db2.gz WKAFKQFVCCLQBA-BHQIHCQQSA-N 0 3 199.725 2.861 20 0 AFADHN Cl/C=C\CN1CCCC2(CC2)C1 388486041 697969482 /nfs/dbraw/zinc/96/94/82/697969482.db2.gz CGCVVTFGFBLJFH-KXFIGUGUSA-N 0 3 185.698 2.615 20 0 AFADHN CC(C)C[C@@H]1CCCN(CCF)C1 388655148 697985047 /nfs/dbraw/zinc/98/50/47/697985047.db2.gz SXUNKXYEVCOTNN-NSHDSACASA-N 0 3 187.302 2.714 20 0 AFADHN CC(C)C[C@H]1CCCN(CCF)C1 388655143 697985225 /nfs/dbraw/zinc/98/52/25/697985225.db2.gz SXUNKXYEVCOTNN-LLVKDONJSA-N 0 3 187.302 2.714 20 0 AFADHN CCCC(C)(C)NCc1cc(C)on1 389293696 698007903 /nfs/dbraw/zinc/00/79/03/698007903.db2.gz DWUFXRYLFDWTIP-UHFFFAOYSA-N 0 3 196.294 2.651 20 0 AFADHN CC(C)=CCNCc1cc(C)oc1C 389334509 698009035 /nfs/dbraw/zinc/00/90/35/698009035.db2.gz WFABORKMFYRMTO-UHFFFAOYSA-N 0 3 193.290 2.952 20 0 AFADHN Cc1ccccc1CNC/C=C\Cl 393330377 698016155 /nfs/dbraw/zinc/01/61/55/698016155.db2.gz GKCRHUMKZKRWHY-DAXSKMNVSA-N 0 3 195.693 2.837 20 0 AFADHN C[C@@H](NCc1ccco1)[C@@H]1CC12CC2 527841166 325651604 /nfs/dbraw/zinc/65/16/04/325651604.db2.gz AAHWDLNMJWJNET-KOLCDFICSA-N 0 3 191.274 2.558 20 0 AFADHN C[C@H](NCc1ccco1)[C@H]1CC12CC2 527841163 325651610 /nfs/dbraw/zinc/65/16/10/325651610.db2.gz AAHWDLNMJWJNET-GXSJLCMTSA-N 0 3 191.274 2.558 20 0 AFADHN C/C(Cl)=C\CN1CCC(C)CC1 528344294 325656698 /nfs/dbraw/zinc/65/66/98/325656698.db2.gz IEEMJUPOIOUMOM-BJMVGYQFSA-N 0 3 187.714 2.861 20 0 AFADHN CCCCN[C@@H](C)c1ncccc1F 528824602 325660597 /nfs/dbraw/zinc/66/05/97/325660597.db2.gz MMFQAVQIQQIHIS-VIFPVBQESA-N 0 3 196.269 2.671 20 0 AFADHN Cc1nc(C)c([C@@H](C)NC2CC2)s1 82589184 133420351 /nfs/dbraw/zinc/42/03/51/133420351.db2.gz LSJPOELYCCPTOD-SSDOTTSWSA-N 0 3 196.319 2.573 20 0 AFADHN C/C(Cl)=C/CN1CCCCC1 26956009 343090699 /nfs/dbraw/zinc/09/06/99/343090699.db2.gz RLESCTXFAUZISM-UITAMQMPSA-N 0 3 173.687 2.615 20 0 AFADHN CN1CCC[C@@H]1c1cccc(F)c1 28104767 343091903 /nfs/dbraw/zinc/09/19/03/343091903.db2.gz KMMXYNMBHZUXKZ-LLVKDONJSA-N 0 3 179.238 2.592 20 0 AFADHN CC[C@@H](N)c1cc2ccccc2o1 34237802 343114461 /nfs/dbraw/zinc/11/44/61/343114461.db2.gz OFDWCYVKINWUCJ-SECBINFHSA-N 0 3 175.231 2.843 20 0 AFADHN Cc1ccc(CNC(C)C)c(F)c1 38071658 343184141 /nfs/dbraw/zinc/18/41/41/343184141.db2.gz TWMGOWQQRMYPRL-UHFFFAOYSA-N 0 3 181.254 2.632 20 0 AFADHN C1=C[C@H](NCc2ccccc2)CCC1 38950358 343192362 /nfs/dbraw/zinc/19/23/62/343192362.db2.gz JOJRSPBFDPRDTA-ZDUSSCGKSA-N 0 3 187.286 2.885 20 0 AFADHN CCN(CC)Cc1cccc(F)c1 39975168 343214692 /nfs/dbraw/zinc/21/46/92/343214692.db2.gz WAZPDMSGKRPWLE-UHFFFAOYSA-N 0 3 181.254 2.668 20 0 AFADHN Cl/C=C/CN1CCCCCC1 41363213 343233682 /nfs/dbraw/zinc/23/36/82/343233682.db2.gz FJIVVDIZZHNGHF-AATRIKPKSA-N 0 3 173.687 2.615 20 0 AFADHN CC1(NCc2ccco2)CCCC1 42176342 343237647 /nfs/dbraw/zinc/23/76/47/343237647.db2.gz BPJWJJVPIGGVBO-UHFFFAOYSA-N 0 3 179.263 2.702 20 0 AFADHN Cc1ccc([C@@H](N)CC(C)C)o1 43609810 343256579 /nfs/dbraw/zinc/25/65/79/343256579.db2.gz RAUCTUXBOPXGQG-VIFPVBQESA-N 0 3 167.252 2.634 20 0 AFADHN CCCCC[C@H](N)c1ccco1 43607011 343256665 /nfs/dbraw/zinc/25/66/65/343256665.db2.gz SYNIJJMHNCTJAP-VIFPVBQESA-N 0 3 167.252 2.860 20 0 AFADHN CC1(C)C[C@H]1NCc1ccsc1 44371269 343264188 /nfs/dbraw/zinc/26/41/88/343264188.db2.gz ZFZIQAFCHWYOIZ-SECBINFHSA-N 0 3 181.304 2.636 20 0 AFADHN CC1(C)C[C@H]1NCc1ccccc1F 44370714 343264365 /nfs/dbraw/zinc/26/43/65/343264365.db2.gz JUSQQHVSMCLPSR-LLVKDONJSA-N 0 3 193.265 2.714 20 0 AFADHN C[C@H](N[C@H]1CC1(C)C)c1ccccn1 45115491 343271359 /nfs/dbraw/zinc/27/13/59/343271359.db2.gz ZHIFOZXOEFWABS-ONGXEEELSA-N 0 3 190.290 2.531 20 0 AFADHN CCC(C)(C)CNCc1ccco1 54403078 343322975 /nfs/dbraw/zinc/32/29/75/343322975.db2.gz CJIFNZWKFRSGFV-UHFFFAOYSA-N 0 3 181.279 2.805 20 0 AFADHN Cc1ccc(SCCN(C)C)cc1 59133979 343342310 /nfs/dbraw/zinc/34/23/10/343342310.db2.gz MLKIXQQTOLMTQL-UHFFFAOYSA-N 0 3 195.331 2.649 20 0 AFADHN NCc1cc(-c2ccco2)ccc1F 68978244 343417963 /nfs/dbraw/zinc/41/79/63/343417963.db2.gz ZPLQPXCVOPBTCH-UHFFFAOYSA-N 0 3 191.205 2.544 20 0 AFADHN CC(C)[C@H](C)N[C@@H](C)c1nccs1 70633966 343511155 /nfs/dbraw/zinc/51/11/55/343511155.db2.gz PXPJVWXZPOPXSQ-IUCAKERBSA-N 0 3 198.335 2.838 20 0 AFADHN Cc1ccc(CN[C@@H]2CC[C@@H](C)C2)o1 70762516 343529290 /nfs/dbraw/zinc/52/92/90/343529290.db2.gz LNGHFWFTFKBAOI-MWLCHTKSSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccc(CN[C@H]2CC[C@H](C)C2)o1 70762515 343529296 /nfs/dbraw/zinc/52/92/96/343529296.db2.gz LNGHFWFTFKBAOI-ONGXEEELSA-N 0 3 193.290 2.866 20 0 AFADHN CC[C@](C)(CF)NCc1ccccc1 71372380 343552539 /nfs/dbraw/zinc/55/25/39/343552539.db2.gz LBIWDUYUFMNKKZ-GFCCVEGCSA-N 0 3 195.281 2.914 20 0 AFADHN CC[C@@](C)(CF)NCc1ccccc1 71372379 343552557 /nfs/dbraw/zinc/55/25/57/343552557.db2.gz LBIWDUYUFMNKKZ-LBPRGKRZSA-N 0 3 195.281 2.914 20 0 AFADHN CCC[C@H](CC)NCc1nccs1 82432875 343604292 /nfs/dbraw/zinc/60/42/92/343604292.db2.gz VQEJFDZPSYACBA-VIFPVBQESA-N 0 3 198.335 2.811 20 0 AFADHN Cc1ccccc1-c1cncc(CN)c1 82638300 343608966 /nfs/dbraw/zinc/60/89/66/343608966.db2.gz CKQXLMYODIZSCV-UHFFFAOYSA-N 0 3 198.269 2.516 20 0 AFADHN CC(C)NCc1sccc1Cl 87721089 343663303 /nfs/dbraw/zinc/66/33/03/343663303.db2.gz WZXMCENQAAPMFB-UHFFFAOYSA-N 0 3 189.711 2.900 20 0 AFADHN C/C(Cl)=C/CNCc1ccccc1 33932966 166055411 /nfs/dbraw/zinc/05/54/11/166055411.db2.gz XYAWCYCYPGFLCA-YFHOEESVSA-N 0 3 195.693 2.919 20 0 AFADHN C1=C(CNCc2ccccc2)CCC1 75577977 166071817 /nfs/dbraw/zinc/07/18/17/166071817.db2.gz XHJIJZDXWXJZTB-UHFFFAOYSA-N 0 3 187.286 2.887 20 0 AFADHN C1=CC[C@H](CNCc2ccco2)CC1 6059061 166075544 /nfs/dbraw/zinc/07/55/44/166075544.db2.gz SUUNEVVACMCYLK-NSHDSACASA-N 0 3 191.274 2.726 20 0 AFADHN C1=CC[C@@H](CNCc2ccco2)CC1 6059064 166076576 /nfs/dbraw/zinc/07/65/76/166076576.db2.gz SUUNEVVACMCYLK-LLVKDONJSA-N 0 3 191.274 2.726 20 0 AFADHN C[C@@H](NCc1cscn1)C(C)(C)C 132856764 343906218 /nfs/dbraw/zinc/90/62/18/343906218.db2.gz MYYJYKJADYNETG-MRVPVSSYSA-N 0 3 198.335 2.667 20 0 AFADHN CC(C)(C)CC[C@H](N)c1cscn1 87589642 166350728 /nfs/dbraw/zinc/35/07/28/166350728.db2.gz MQHGTQYJXOZIEA-QMMMGPOBSA-N 0 3 198.335 2.969 20 0 AFADHN CC(C)(C)CCNCc1ccco1 37855226 166351152 /nfs/dbraw/zinc/35/11/52/166351152.db2.gz IUXNRQJBARUQQX-UHFFFAOYSA-N 0 3 181.279 2.805 20 0 AFADHN CC(C)(C)CC[C@@H](N)c1cscn1 87589643 166351305 /nfs/dbraw/zinc/35/13/05/166351305.db2.gz MQHGTQYJXOZIEA-MRVPVSSYSA-N 0 3 198.335 2.969 20 0 AFADHN CC(C)(C)CCNCc1ccccn1 37488703 166351753 /nfs/dbraw/zinc/35/17/53/166351753.db2.gz VEEONFHMIGOKJW-UHFFFAOYSA-N 0 3 192.306 2.607 20 0 AFADHN CC(C)(C)C[C@@H](N)c1ccccn1 169726686 166355612 /nfs/dbraw/zinc/35/56/12/166355612.db2.gz MDTKLKWYQIPWQQ-SECBINFHSA-N 0 3 178.279 2.518 20 0 AFADHN CC(C)(C)C[C@H](N)c1ccccn1 169726685 166356116 /nfs/dbraw/zinc/35/61/16/166356116.db2.gz MDTKLKWYQIPWQQ-VIFPVBQESA-N 0 3 178.279 2.518 20 0 AFADHN CC(C)(C)C[C@H](N)c1ccco1 43606854 166356132 /nfs/dbraw/zinc/35/61/32/166356132.db2.gz RLDZUHNGAWXJHL-QMMMGPOBSA-N 0 3 167.252 2.716 20 0 AFADHN CC(C)(C)C[C@@H](N)c1ccco1 43606857 166357612 /nfs/dbraw/zinc/35/76/12/166357612.db2.gz RLDZUHNGAWXJHL-MRVPVSSYSA-N 0 3 167.252 2.716 20 0 AFADHN CC(C)(C)NCc1ccc(Cl)o1 37502512 166364527 /nfs/dbraw/zinc/36/45/27/166364527.db2.gz RAALQTYAJYDTTH-UHFFFAOYSA-N 0 3 187.670 2.821 20 0 AFADHN CC(C)(C)NCc1ccncc1Cl 83343059 166366090 /nfs/dbraw/zinc/36/60/90/166366090.db2.gz JEJXUYCROXZYND-UHFFFAOYSA-N 0 3 198.697 2.623 20 0 AFADHN CC(C)(CF)NCc1ccccc1 59756506 166394583 /nfs/dbraw/zinc/39/45/83/166394583.db2.gz JGQYMJSAUXIUDV-UHFFFAOYSA-N 0 3 181.254 2.524 20 0 AFADHN CC(C)CCN[C@@H](C)c1ccccn1 19911951 166448125 /nfs/dbraw/zinc/44/81/25/166448125.db2.gz QPIAUEWIAANLHU-NSHDSACASA-N 0 3 192.306 2.778 20 0 AFADHN CC(C)c1csc(C2(N)CCC2)n1 41060065 166635653 /nfs/dbraw/zinc/63/56/53/166635653.db2.gz HVHALQGQTJEZDZ-UHFFFAOYSA-N 0 3 196.319 2.604 20 0 AFADHN CC1(C)C[C@@H]1NCc1cccc(F)c1 44371975 166687683 /nfs/dbraw/zinc/68/76/83/166687683.db2.gz AVRDEFYOAJRTFZ-NSHDSACASA-N 0 3 193.265 2.714 20 0 AFADHN CC1(C)C[C@H]1NCc1cccc(F)c1 44371980 166691035 /nfs/dbraw/zinc/69/10/35/166691035.db2.gz AVRDEFYOAJRTFZ-LLVKDONJSA-N 0 3 193.265 2.714 20 0 AFADHN CC1(F)CC(NCc2cccs2)C1 335375417 166705442 /nfs/dbraw/zinc/70/54/42/166705442.db2.gz HSDHICVNYIMKGS-UHFFFAOYSA-N 0 3 199.294 2.728 20 0 AFADHN CCCCCN[C@@H](C)c1nccs1 70634097 166866270 /nfs/dbraw/zinc/86/62/70/166866270.db2.gz GOMILEKWJUTQJZ-VIFPVBQESA-N 0 3 198.335 2.984 20 0 AFADHN CCCCCOc1ccccc1CN 19393363 166868887 /nfs/dbraw/zinc/86/88/87/166868887.db2.gz SSQDBXYLWSZWHI-UHFFFAOYSA-N 0 3 193.290 2.714 20 0 AFADHN CCCN[C@@](C)(CC)c1nccs1 41061334 166998714 /nfs/dbraw/zinc/99/87/14/166998714.db2.gz GYIIAGPUOQTVGQ-JTQLQIEISA-N 0 3 198.335 2.768 20 0 AFADHN CCCN[C@H](CC)c1nccs1 41061295 167000173 /nfs/dbraw/zinc/00/01/73/167000173.db2.gz FRSFTRNPFUMXCL-MRVPVSSYSA-N 0 3 184.308 2.594 20 0 AFADHN CCCN[C@H](C)c1nc(C)sc1C 20084367 167000320 /nfs/dbraw/zinc/00/03/20/167000320.db2.gz INLRUSGYCKFANR-SSDOTTSWSA-N 0 3 198.335 2.821 20 0 AFADHN CCCN[C@H](C)c1ccc(CC)o1 51728180 167000627 /nfs/dbraw/zinc/00/06/27/167000627.db2.gz GLONVFLOHZAPMG-SECBINFHSA-N 0 3 181.279 2.903 20 0 AFADHN CCCN[C@H](C)c1nc(C)cs1 41061374 167000793 /nfs/dbraw/zinc/00/07/93/167000793.db2.gz VHNYDCUZIHFQJU-MRVPVSSYSA-N 0 3 184.308 2.512 20 0 AFADHN CCCN[C@H](C)c1csc(C)n1 22862465 167001179 /nfs/dbraw/zinc/00/11/79/167001179.db2.gz ZJLVQIGJWNEHKO-SSDOTTSWSA-N 0 3 184.308 2.512 20 0 AFADHN CCCN[C@H](CC)c1nc(C)cs1 41061376 167001445 /nfs/dbraw/zinc/00/14/45/167001445.db2.gz MVDNTEOOLFSZTL-SECBINFHSA-N 0 3 198.335 2.902 20 0 AFADHN CCCN[C@](C)(CC)c1nccs1 41061335 167003450 /nfs/dbraw/zinc/00/34/50/167003450.db2.gz GYIIAGPUOQTVGQ-SNVBAGLBSA-N 0 3 198.335 2.768 20 0 AFADHN CCC[C@@H](C)NCc1ccco1 19392417 167034809 /nfs/dbraw/zinc/03/48/09/167034809.db2.gz CXSRGGYEKWTWEI-SECBINFHSA-N 0 3 167.252 2.558 20 0 AFADHN CCC[C@@H](C)NCc1c(C)noc1C 20252850 167035723 /nfs/dbraw/zinc/03/57/23/167035723.db2.gz PCVWSYCGLMHQFF-MRVPVSSYSA-N 0 3 196.294 2.570 20 0 AFADHN CCC[C@@H](C)N[C@H](C)c1ccccn1 19902768 167035846 /nfs/dbraw/zinc/03/58/46/167035846.db2.gz ICEGKUCRRUDONR-GHMZBOCLSA-N 0 3 192.306 2.921 20 0 AFADHN CCC[C@@H](C)NCc1ccc(C)o1 19902624 167035959 /nfs/dbraw/zinc/03/59/59/167035959.db2.gz KHFJNTISWRCTPA-SECBINFHSA-N 0 3 181.279 2.866 20 0 AFADHN CCC[C@@H](C)N[C@@H](C)c1ccccn1 19902764 167036454 /nfs/dbraw/zinc/03/64/54/167036454.db2.gz ICEGKUCRRUDONR-MNOVXSKESA-N 0 3 192.306 2.921 20 0 AFADHN CCC[C@@H](CC)NCc1cscn1 50402641 167040472 /nfs/dbraw/zinc/04/04/72/167040472.db2.gz GTJHUCXQJCGVIS-SECBINFHSA-N 0 3 198.335 2.811 20 0 AFADHN CCC[C@@H](CC)NCc1ccco1 50400072 167041376 /nfs/dbraw/zinc/04/13/76/167041376.db2.gz RTWJTBMLJXEURG-SNVBAGLBSA-N 0 3 181.279 2.948 20 0 AFADHN CCC[C@@H](N)c1c(F)cccc1F 69759008 167046301 /nfs/dbraw/zinc/04/63/01/167046301.db2.gz OKNGOBWVKDMUPP-SECBINFHSA-N 0 3 185.217 2.765 20 0 AFADHN CCC[C@@H](N)c1cc(F)ccc1F 19969505 167046950 /nfs/dbraw/zinc/04/69/50/167046950.db2.gz WZELAQPTMYJSRD-SNVBAGLBSA-N 0 3 185.217 2.765 20 0 AFADHN CCC[C@@H]1NCCc2sccc21 41201829 167056266 /nfs/dbraw/zinc/05/62/66/167056266.db2.gz PEZBJUFLHSSYAC-VIFPVBQESA-N 0 3 181.304 2.735 20 0 AFADHN CSC[C@H](C)N[C@H](C)c1ccco1 133982538 343931117 /nfs/dbraw/zinc/93/11/17/343931117.db2.gz JEBRTFMQVRWHHC-DTWKUNHWSA-N 0 3 199.319 2.682 20 0 AFADHN CCC[C@H](C)NCc1c(C)noc1C 20252851 167069472 /nfs/dbraw/zinc/06/94/72/167069472.db2.gz PCVWSYCGLMHQFF-QMMMGPOBSA-N 0 3 196.294 2.570 20 0 AFADHN CCC[C@H](C)N[C@H](C)c1ccccn1 19902770 167070313 /nfs/dbraw/zinc/07/03/13/167070313.db2.gz ICEGKUCRRUDONR-WDEREUQCSA-N 0 3 192.306 2.921 20 0 AFADHN CCC[C@H](C)NCc1ccco1 19392420 167070398 /nfs/dbraw/zinc/07/03/98/167070398.db2.gz CXSRGGYEKWTWEI-VIFPVBQESA-N 0 3 167.252 2.558 20 0 AFADHN CCC[C@H](C)N[C@@H](C)c1ccccn1 19902766 167070433 /nfs/dbraw/zinc/07/04/33/167070433.db2.gz ICEGKUCRRUDONR-QWRGUYRKSA-N 0 3 192.306 2.921 20 0 AFADHN CCC[C@H](C)NCc1csc(C)n1 20252853 167070510 /nfs/dbraw/zinc/07/05/10/167070510.db2.gz MRONNKAOCNLDST-QMMMGPOBSA-N 0 3 198.335 2.730 20 0 AFADHN CCC[C@H](C)NCc1ccc(C)o1 19902626 167071873 /nfs/dbraw/zinc/07/18/73/167071873.db2.gz KHFJNTISWRCTPA-VIFPVBQESA-N 0 3 181.279 2.866 20 0 AFADHN CCC[C@H](CC)NCc1cscn1 50402643 167076187 /nfs/dbraw/zinc/07/61/87/167076187.db2.gz GTJHUCXQJCGVIS-VIFPVBQESA-N 0 3 198.335 2.811 20 0 AFADHN CCC[C@H](CC)NCc1ccco1 50400074 167077172 /nfs/dbraw/zinc/07/71/72/167077172.db2.gz RTWJTBMLJXEURG-JTQLQIEISA-N 0 3 181.279 2.948 20 0 AFADHN CSC[C@@H](C)N[C@H](C)c1ccoc1 134015954 343931644 /nfs/dbraw/zinc/93/16/44/343931644.db2.gz JEEJBIDYWZKTRT-RKDXNWHRSA-N 0 3 199.319 2.682 20 0 AFADHN CCC[C@H](N)c1c(F)cccc1F 69759007 167081966 /nfs/dbraw/zinc/08/19/66/167081966.db2.gz OKNGOBWVKDMUPP-VIFPVBQESA-N 0 3 185.217 2.765 20 0 AFADHN CCC[C@H](N)c1cc(F)ccc1F 19969506 167082526 /nfs/dbraw/zinc/08/25/26/167082526.db2.gz WZELAQPTMYJSRD-JTQLQIEISA-N 0 3 185.217 2.765 20 0 AFADHN CCC[C@H]1NCCc2sccc21 41201826 167090911 /nfs/dbraw/zinc/09/09/11/167090911.db2.gz PEZBJUFLHSSYAC-SECBINFHSA-N 0 3 181.304 2.735 20 0 AFADHN CCN(C)[C@@H](C)c1cccs1 335492236 167144304 /nfs/dbraw/zinc/14/43/04/167144304.db2.gz VRAJOGVQDICGMT-QMMMGPOBSA-N 0 3 169.293 2.761 20 0 AFADHN CCN(C)[C@@H](C)c1sc(C)nc1C 336552186 167145018 /nfs/dbraw/zinc/14/50/18/167145018.db2.gz CSIMBKLKWQZDEH-QMMMGPOBSA-N 0 3 198.335 2.773 20 0 AFADHN CCN(C)[C@@H](C)c1ccccc1F 335916805 167145530 /nfs/dbraw/zinc/14/55/30/167145530.db2.gz YBRJLLFUJRJZPB-VIFPVBQESA-N 0 3 181.254 2.838 20 0 AFADHN CCN(C)[C@H](C)c1ccccc1F 335916804 167149835 /nfs/dbraw/zinc/14/98/35/167149835.db2.gz YBRJLLFUJRJZPB-SECBINFHSA-N 0 3 181.254 2.838 20 0 AFADHN CCN(C)[C@H](C)c1sc(C)nc1C 336552185 167150295 /nfs/dbraw/zinc/15/02/95/167150295.db2.gz CSIMBKLKWQZDEH-MRVPVSSYSA-N 0 3 198.335 2.773 20 0 AFADHN CCN(C)[C@H](C)c1cccs1 335492235 167152007 /nfs/dbraw/zinc/15/20/07/167152007.db2.gz VRAJOGVQDICGMT-MRVPVSSYSA-N 0 3 169.293 2.761 20 0 AFADHN CCN(CC)Cc1ccnc(Cl)c1 51601935 167170816 /nfs/dbraw/zinc/17/08/16/167170816.db2.gz XDQCIKQWQIUGLZ-UHFFFAOYSA-N 0 3 198.697 2.577 20 0 AFADHN Cc1cnc(C(C)(C)NC(C)C)s1 134277137 343938652 /nfs/dbraw/zinc/93/86/52/343938652.db2.gz JFCKXFVAYOYWDF-UHFFFAOYSA-N 0 3 198.335 2.685 20 0 AFADHN CCN1CCC(CC(F)(F)F)CC1 306360826 167197837 /nfs/dbraw/zinc/19/78/37/167197837.db2.gz NJBRCOBFSJUNRM-UHFFFAOYSA-N 0 3 195.228 2.671 20 0 AFADHN CCN1CCC[C@@H](CC(F)(F)F)C1 335559484 167204948 /nfs/dbraw/zinc/20/49/48/167204948.db2.gz ZSRXWLNLDAUTSF-QMMMGPOBSA-N 0 3 195.228 2.671 20 0 AFADHN CCN1CCC[C@H](CC(F)(F)F)C1 335559483 167209924 /nfs/dbraw/zinc/20/99/24/167209924.db2.gz ZSRXWLNLDAUTSF-MRVPVSSYSA-N 0 3 195.228 2.671 20 0 AFADHN CCN1CCc2sccc2[C@H]1C 335529123 167221697 /nfs/dbraw/zinc/22/16/97/167221697.db2.gz BDRHWCPXAHAAIK-MRVPVSSYSA-N 0 3 181.304 2.687 20 0 AFADHN CCN1CCc2sccc2[C@@H]1C 335529124 167222472 /nfs/dbraw/zinc/22/24/72/167222472.db2.gz BDRHWCPXAHAAIK-QMMMGPOBSA-N 0 3 181.304 2.687 20 0 AFADHN CCN1Cc2ccccc2C2(CC2)C1 336083634 167226575 /nfs/dbraw/zinc/22/65/75/167226575.db2.gz BJNBRFJRGWKTSM-UHFFFAOYSA-N 0 3 187.286 2.554 20 0 AFADHN CCNC(C)(C)c1nc(C)c(C)s1 41061107 167254145 /nfs/dbraw/zinc/25/41/45/167254145.db2.gz QGECRUUCFZOVKK-UHFFFAOYSA-N 0 3 198.335 2.605 20 0 AFADHN CCNC(C)(C)c1ccccc1F 306443822 167255842 /nfs/dbraw/zinc/25/58/42/167255842.db2.gz NPWVXKLUQKLCGE-UHFFFAOYSA-N 0 3 181.254 2.670 20 0 AFADHN CCNC1(c2nccs2)CCCC1 41060943 167258138 /nfs/dbraw/zinc/25/81/38/167258138.db2.gz SUHTZSTWZUTCGF-UHFFFAOYSA-N 0 3 196.319 2.522 20 0 AFADHN CCNCc1ccc(F)cc1Cl 19273007 167275456 /nfs/dbraw/zinc/27/54/56/167275456.db2.gz POTSWSIWABFRSX-UHFFFAOYSA-N 0 3 187.645 2.589 20 0 AFADHN CCNCc1cc(Cl)ccc1F 36947820 167275779 /nfs/dbraw/zinc/27/57/79/167275779.db2.gz ZVGCWXITYKHSEW-UHFFFAOYSA-N 0 3 187.645 2.589 20 0 AFADHN CCNCc1cccc(Cl)c1F 83341327 167276359 /nfs/dbraw/zinc/27/63/59/167276359.db2.gz WFPCTBPAURAJQY-UHFFFAOYSA-N 0 3 187.645 2.589 20 0 AFADHN CCNCc1ccsc1Cl 307421888 167278429 /nfs/dbraw/zinc/27/84/29/167278429.db2.gz MTNQVXCUYKXFJJ-UHFFFAOYSA-N 0 3 175.684 2.511 20 0 AFADHN CCNCc1cnc(C(C)(C)C)s1 40996623 167278926 /nfs/dbraw/zinc/27/89/26/167278926.db2.gz SKDOCQIBIPZJSG-UHFFFAOYSA-N 0 3 198.335 2.550 20 0 AFADHN CCN[C@@H](C)c1c(F)cccc1F 19429141 167282945 /nfs/dbraw/zinc/28/29/45/167282945.db2.gz VOSPNCAROSRJSF-ZETCQYMHSA-N 0 3 185.217 2.635 20 0 AFADHN CCN[C@@H](C)c1cc(F)cc(F)c1 43388018 167283024 /nfs/dbraw/zinc/28/30/24/167283024.db2.gz VURRTZIWKDJEDC-ZETCQYMHSA-N 0 3 185.217 2.635 20 0 AFADHN CCN[C@@H](C)c1cc(F)ccc1F 19428314 167283289 /nfs/dbraw/zinc/28/32/89/167283289.db2.gz SCYNJQRDUIYKKC-ZETCQYMHSA-N 0 3 185.217 2.635 20 0 AFADHN CCN[C@@H](C)c1cc(C)ccc1OC 19483927 167283954 /nfs/dbraw/zinc/28/39/54/167283954.db2.gz GAVWAKCRYWNJPR-JTQLQIEISA-N 0 3 193.290 2.674 20 0 AFADHN CCN[C@@H](C)c1ccc(CC)o1 51727732 167284787 /nfs/dbraw/zinc/28/47/87/167284787.db2.gz UPVGFKFNNXVZQC-QMMMGPOBSA-N 0 3 167.252 2.513 20 0 AFADHN CCN[C@@H](C)c1cc(C)oc1C 26515695 167284886 /nfs/dbraw/zinc/28/48/86/167284886.db2.gz OCIQRTOAHBQQIE-QMMMGPOBSA-N 0 3 167.252 2.567 20 0 AFADHN CCN[C@@H](C)c1cc(F)ccc1OC 34842329 167285466 /nfs/dbraw/zinc/28/54/66/167285466.db2.gz OADBLJMZRBWVMZ-QMMMGPOBSA-N 0 3 197.253 2.505 20 0 AFADHN CCN[C@@H](c1nc(C)cs1)C1CC1 41061080 167286508 /nfs/dbraw/zinc/28/65/08/167286508.db2.gz PUPOCGAIAFASQE-SECBINFHSA-N 0 3 196.319 2.512 20 0 AFADHN CCN[C@@H](c1ncc(C)s1)C1CC1 45206203 167287024 /nfs/dbraw/zinc/28/70/24/167287024.db2.gz YNCPXNZVKAHWJN-SECBINFHSA-N 0 3 196.319 2.512 20 0 AFADHN CCN[C@@H](CC)c1ccccc1F 52898045 167288379 /nfs/dbraw/zinc/28/83/79/167288379.db2.gz QGEDCZWXRIFQMZ-NSHDSACASA-N 0 3 181.254 2.886 20 0 AFADHN CCN[C@@H](CC)c1nc(C)cs1 41061066 167288933 /nfs/dbraw/zinc/28/89/33/167288933.db2.gz SKPCIIVASQPXPC-QMMMGPOBSA-N 0 3 184.308 2.512 20 0 AFADHN CCN[C@@H]1CCc2c(F)ccc(F)c21 42405387 167289818 /nfs/dbraw/zinc/28/98/18/167289818.db2.gz SOKIFPOASQPRQF-SNVBAGLBSA-N 0 3 197.228 2.562 20 0 AFADHN CCN[C@@](C)(CC)c1nc(C)cs1 41061025 167294446 /nfs/dbraw/zinc/29/44/46/167294446.db2.gz DEOVVRJQRKAVQH-JTQLQIEISA-N 0 3 198.335 2.686 20 0 AFADHN CCN[C@H](C)c1c(F)cccc1F 19429143 167295340 /nfs/dbraw/zinc/29/53/40/167295340.db2.gz VOSPNCAROSRJSF-SSDOTTSWSA-N 0 3 185.217 2.635 20 0 AFADHN CCN[C@H](C)c1ccc(CC)o1 51727730 167296188 /nfs/dbraw/zinc/29/61/88/167296188.db2.gz UPVGFKFNNXVZQC-MRVPVSSYSA-N 0 3 167.252 2.513 20 0 AFADHN CCN[C@H](C)c1cc(F)ccc1OC 34842331 167296231 /nfs/dbraw/zinc/29/62/31/167296231.db2.gz OADBLJMZRBWVMZ-MRVPVSSYSA-N 0 3 197.253 2.505 20 0 AFADHN CCN[C@H](C)c1cc(C)ccc1OC 19483928 167296238 /nfs/dbraw/zinc/29/62/38/167296238.db2.gz GAVWAKCRYWNJPR-SNVBAGLBSA-N 0 3 193.290 2.674 20 0 AFADHN CCN[C@H](C)c1cc(F)ccc1F 19428315 167296414 /nfs/dbraw/zinc/29/64/14/167296414.db2.gz SCYNJQRDUIYKKC-SSDOTTSWSA-N 0 3 185.217 2.635 20 0 AFADHN CCN[C@H](C)c1cc(C)oc1C 26515697 167296686 /nfs/dbraw/zinc/29/66/86/167296686.db2.gz OCIQRTOAHBQQIE-MRVPVSSYSA-N 0 3 167.252 2.567 20 0 AFADHN CCN[C@H](C)c1cc(F)cc(F)c1 43388020 167297306 /nfs/dbraw/zinc/29/73/06/167297306.db2.gz VURRTZIWKDJEDC-SSDOTTSWSA-N 0 3 185.217 2.635 20 0 AFADHN CCN[C@H](CC)c1nc(C)cs1 41061067 167298471 /nfs/dbraw/zinc/29/84/71/167298471.db2.gz SKPCIIVASQPXPC-MRVPVSSYSA-N 0 3 184.308 2.512 20 0 AFADHN CCN[C@H](CC)c1ccccc1F 52898047 167298838 /nfs/dbraw/zinc/29/88/38/167298838.db2.gz QGEDCZWXRIFQMZ-LLVKDONJSA-N 0 3 181.254 2.886 20 0 AFADHN CCN[C@H](c1ncc(C)s1)C1CC1 45206204 167300743 /nfs/dbraw/zinc/30/07/43/167300743.db2.gz YNCPXNZVKAHWJN-VIFPVBQESA-N 0 3 196.319 2.512 20 0 AFADHN CCN[C@H](c1nc(C)cs1)C1CC1 41061081 167302767 /nfs/dbraw/zinc/30/27/67/167302767.db2.gz PUPOCGAIAFASQE-VIFPVBQESA-N 0 3 196.319 2.512 20 0 AFADHN CCN[C@](C)(CC)c1nc(C)cs1 41061026 167303713 /nfs/dbraw/zinc/30/37/13/167303713.db2.gz DEOVVRJQRKAVQH-SNVBAGLBSA-N 0 3 198.335 2.686 20 0 AFADHN CCN[C@H]1CCc2c(F)ccc(F)c21 42405389 167305600 /nfs/dbraw/zinc/30/56/00/167305600.db2.gz SOKIFPOASQPRQF-JTQLQIEISA-N 0 3 197.228 2.562 20 0 AFADHN CCNc1cc(C)nc2ccccc12 35206355 167307564 /nfs/dbraw/zinc/30/75/64/167307564.db2.gz SUFYEPZZIFEISA-UHFFFAOYSA-N 0 3 186.258 2.975 20 0 AFADHN CCNc1ccnc2ccccc12 34528184 167312208 /nfs/dbraw/zinc/31/22/08/167312208.db2.gz TTXHGYGDDOYSDB-UHFFFAOYSA-N 0 3 172.231 2.667 20 0 AFADHN CC[C@@H](C)N[C@H](C)c1ccccn1 19882141 167475590 /nfs/dbraw/zinc/47/55/90/167475590.db2.gz ZIZPMVWWVBJJLJ-NXEZZACHSA-N 0 3 178.279 2.531 20 0 AFADHN CC[C@@H](C)[C@@H](C)NCc1nccs1 41012343 167486571 /nfs/dbraw/zinc/48/65/71/167486571.db2.gz RVNIPQHYTVOPPK-RKDXNWHRSA-N 0 3 198.335 2.667 20 0 AFADHN CNCc1nc(C2CCCC2)cs1 3711104 168023447 /nfs/dbraw/zinc/02/34/47/168023447.db2.gz QCHBDNWLJJDDHB-UHFFFAOYSA-N 0 3 196.319 2.520 20 0 AFADHN CN[C@@H]1CC(C)(C)Oc2ccccc21 82504793 168038764 /nfs/dbraw/zinc/03/87/64/168038764.db2.gz PCSKBZFFRDBXDH-SNVBAGLBSA-N 0 3 191.274 2.508 20 0 AFADHN CN[C@H]1CC(C)(C)Oc2ccccc21 82504789 168055092 /nfs/dbraw/zinc/05/50/92/168055092.db2.gz PCSKBZFFRDBXDH-JTQLQIEISA-N 0 3 191.274 2.508 20 0 AFADHN COc1cc(C)ccc1CNC(C)C 76635887 168232571 /nfs/dbraw/zinc/23/25/71/168232571.db2.gz YMEZXEGZYJYOJC-UHFFFAOYSA-N 0 3 193.290 2.502 20 0 AFADHN CCCC(C)(C)NCc1cscn1 135486866 343964180 /nfs/dbraw/zinc/96/41/80/343964180.db2.gz BVTDNMBJPHKHPD-UHFFFAOYSA-N 0 3 198.335 2.811 20 0 AFADHN CSCCCN[C@@H](C)c1ccco1 35137765 168300690 /nfs/dbraw/zinc/30/06/90/168300690.db2.gz RBDZXDQQFFTTMW-VIFPVBQESA-N 0 3 199.319 2.683 20 0 AFADHN CSCCCN[C@H](C)c1ccco1 35137767 168301522 /nfs/dbraw/zinc/30/15/22/168301522.db2.gz RBDZXDQQFFTTMW-SECBINFHSA-N 0 3 199.319 2.683 20 0 AFADHN C[C@@H](CF)N[C@H]1CCc2ccccc21 306377178 168341577 /nfs/dbraw/zinc/34/15/77/168341577.db2.gz NNAXPFXLUZFGDJ-CABZTGNLSA-N 0 3 193.265 2.622 20 0 AFADHN C[C@@H](CF)N[C@@H]1CCc2ccccc21 306377181 168342085 /nfs/dbraw/zinc/34/20/85/168342085.db2.gz NNAXPFXLUZFGDJ-JOYOIKCWSA-N 0 3 193.265 2.622 20 0 AFADHN C[C@@H](F)CCN1Cc2ccccc2C1 335317739 168355203 /nfs/dbraw/zinc/35/52/03/168355203.db2.gz RQYLQYGQJOFMAJ-SNVBAGLBSA-N 0 3 193.265 2.750 20 0 AFADHN C[C@@H](F)CCN1CCC[C@](C)(F)C1 336266754 168355557 /nfs/dbraw/zinc/35/55/57/168355557.db2.gz KZMXZHOXVQQWKN-ZJUUUORDSA-N 0 3 191.265 2.559 20 0 AFADHN C[C@@H](F)CCN1CCC[C@@](C)(F)C1 336266751 168356508 /nfs/dbraw/zinc/35/65/08/168356508.db2.gz KZMXZHOXVQQWKN-NXEZZACHSA-N 0 3 191.265 2.559 20 0 AFADHN C[C@@H]([NH3+])c1ccc([O-])c2ccccc12 71450975 168371069 /nfs/dbraw/zinc/37/10/69/168371069.db2.gz JPLPWOCTHNZHMW-MRVPVSSYSA-N 0 3 187.242 2.565 20 0 AFADHN C[C@@H](NC1CCCC1)c1cscn1 22862659 168378576 /nfs/dbraw/zinc/37/85/76/168378576.db2.gz FOQVMBWPHFSDLZ-MRVPVSSYSA-N 0 3 196.319 2.736 20 0 AFADHN C[C@@H](NC1CC1)c1ccsc1 50337299 168378694 /nfs/dbraw/zinc/37/86/94/168378694.db2.gz OZRZMBGBQCSVLK-SSDOTTSWSA-N 0 3 167.277 2.561 20 0 AFADHN C[C@@H](NC1CC1)c1ccncc1Cl 335076790 168379112 /nfs/dbraw/zinc/37/91/12/168379112.db2.gz XRXVWCGYPIFJQN-SSDOTTSWSA-N 0 3 196.681 2.548 20 0 AFADHN C[C@@H](NC1CC1)c1cc(F)cc(F)c1 87263337 168379126 /nfs/dbraw/zinc/37/91/26/168379126.db2.gz QRMDARQHODHMRF-SSDOTTSWSA-N 0 3 197.228 2.778 20 0 AFADHN C[C@@H](NC1CCCC1)c1nccs1 70634104 168379377 /nfs/dbraw/zinc/37/93/77/168379377.db2.gz BFYOAILBRNRMLP-MRVPVSSYSA-N 0 3 196.319 2.736 20 0 AFADHN C[C@@H](NCC(C)(C)C)c1ccccn1 40492487 168379427 /nfs/dbraw/zinc/37/94/27/168379427.db2.gz MMQVPBAWAMHMKI-SNVBAGLBSA-N 0 3 192.306 2.778 20 0 AFADHN C[C@@H](NC1CC1)c1ccc(F)cc1F 22147966 168379466 /nfs/dbraw/zinc/37/94/66/168379466.db2.gz PDUQYZYWOGOLKY-SSDOTTSWSA-N 0 3 197.228 2.778 20 0 AFADHN C[C@@H](NCC(C)(C)C)c1ccco1 40492510 168379574 /nfs/dbraw/zinc/37/95/74/168379574.db2.gz RPIKQMMQDKJAMS-SECBINFHSA-N 0 3 181.279 2.976 20 0 AFADHN C[C@@H](NC1CC1)c1ccc(Cl)cn1 307747702 168379701 /nfs/dbraw/zinc/37/97/01/168379701.db2.gz ZLZPXBXWIMUEJE-SSDOTTSWSA-N 0 3 196.681 2.548 20 0 AFADHN C[C@@H](NC1CC(C)(F)C1)c1ccco1 334521750 168379775 /nfs/dbraw/zinc/37/97/75/168379775.db2.gz WVOJILQPGRJHOU-FKTRJACZSA-N 0 3 197.253 2.821 20 0 AFADHN C[C@@H](NC1CCCC1)c1ccco1 6651258 168379858 /nfs/dbraw/zinc/37/98/58/168379858.db2.gz XQYCLVBQNYJRCC-SECBINFHSA-N 0 3 179.263 2.873 20 0 AFADHN C[C@@H](NCC1CC1)c1ccccc1F 19884818 168380652 /nfs/dbraw/zinc/38/06/52/168380652.db2.gz LGUXUNMKHHQHCW-SECBINFHSA-N 0 3 193.265 2.886 20 0 AFADHN C[C@@H](NCC1CCC1)c1ccco1 37180025 168381788 /nfs/dbraw/zinc/38/17/88/168381788.db2.gz DFWGROVSPVXWIL-SECBINFHSA-N 0 3 179.263 2.730 20 0 AFADHN C[C@@H](NCc1ccccc1F)C1CC1 19950020 168382977 /nfs/dbraw/zinc/38/29/77/168382977.db2.gz XHSTZFNLCNDCSL-SECBINFHSA-N 0 3 193.265 2.714 20 0 AFADHN C[C@@H](NCc1ccc(Cl)o1)C1CC1 37487282 168384120 /nfs/dbraw/zinc/38/41/20/168384120.db2.gz KNPLPAYMBICIJC-SSDOTTSWSA-N 0 3 199.681 2.821 20 0 AFADHN C[C@@H](N[C@H](C)C1CC1)c1ccco1 35733286 168385431 /nfs/dbraw/zinc/38/54/31/168385431.db2.gz AHQWENXWJDIEBA-RKDXNWHRSA-N 0 3 179.263 2.729 20 0 AFADHN C[C@@H](N[C@H]1CC1(C)C)c1ccccn1 45115493 168386141 /nfs/dbraw/zinc/38/61/41/168386141.db2.gz ZHIFOZXOEFWABS-KOLCDFICSA-N 0 3 190.290 2.531 20 0 AFADHN C[C@H](NC1CCCC1)c1nccs1 70634103 168564459 /nfs/dbraw/zinc/56/44/59/168564459.db2.gz BFYOAILBRNRMLP-QMMMGPOBSA-N 0 3 196.319 2.736 20 0 AFADHN Cc1cc([C@H](C)NC(C)C)c(C)o1 20437345 168781453 /nfs/dbraw/zinc/78/14/53/168781453.db2.gz ZIVXGWXZEGGBFF-VIFPVBQESA-N 0 3 181.279 2.955 20 0 AFADHN Cc1ccc(-c2cncc(CN)c2)cc1 82638310 168795137 /nfs/dbraw/zinc/79/51/37/168795137.db2.gz JZILCJFNCUIWFC-UHFFFAOYSA-N 0 3 198.269 2.516 20 0 AFADHN Cc1ccc(CNCC2CCCC2)o1 37252249 168814508 /nfs/dbraw/zinc/81/45/08/168814508.db2.gz NXMWXTLEFMDMJC-UHFFFAOYSA-N 0 3 193.290 2.868 20 0 AFADHN Cc1ccccc1-c1cnccc1N 69841172 168882715 /nfs/dbraw/zinc/88/27/15/168882715.db2.gz YZOROWKHACHNHE-UHFFFAOYSA-N 0 3 184.242 2.639 20 0 AFADHN Cc1ccnc([C@H](C)NC2CCC2)c1 307723490 168889360 /nfs/dbraw/zinc/88/93/60/168889360.db2.gz VDVBAFYSJPICPZ-JTQLQIEISA-N 0 3 190.290 2.593 20 0 AFADHN Cc1ccoc1CN[C@H]1CC=CCC1 126920642 168895233 /nfs/dbraw/zinc/89/52/33/168895233.db2.gz RCWUUVFEUWIMCY-NSHDSACASA-N 0 3 191.274 2.786 20 0 AFADHN Cc1occc1CN[C@H]1CC[C@H](F)C1 335230426 169010815 /nfs/dbraw/zinc/01/08/15/169010815.db2.gz GKEPWQPNICMMQQ-QWRGUYRKSA-N 0 3 197.253 2.568 20 0 AFADHN Cc1occc1CN[C@@H]1CC[C@@H](F)C1 335230404 169010827 /nfs/dbraw/zinc/01/08/27/169010827.db2.gz GKEPWQPNICMMQQ-GHMZBOCLSA-N 0 3 197.253 2.568 20 0 AFADHN Cc1occc1CN1CCCCC1 334836499 169010860 /nfs/dbraw/zinc/01/08/60/169010860.db2.gz MKHOORVTXDFLPM-UHFFFAOYSA-N 0 3 179.263 2.574 20 0 AFADHN Cc1occc1CN[C@@H]1C=CCCC1 335653741 169010956 /nfs/dbraw/zinc/01/09/56/169010956.db2.gz GDLQGQHVGRBARU-GFCCVEGCSA-N 0 3 191.274 2.786 20 0 AFADHN Cc1occc1CN[C@H]1CC[C@@H](F)C1 335230417 169011484 /nfs/dbraw/zinc/01/14/84/169011484.db2.gz GKEPWQPNICMMQQ-MNOVXSKESA-N 0 3 197.253 2.568 20 0 AFADHN Cc1occc1CNC1CC(C)(F)C1 334853771 169011556 /nfs/dbraw/zinc/01/15/56/169011556.db2.gz OLVVHPHUVAQLOE-UHFFFAOYSA-N 0 3 197.253 2.568 20 0 AFADHN Cc1occc1CN[C@@H]1CC[C@H](F)C1 335230436 169011787 /nfs/dbraw/zinc/01/17/87/169011787.db2.gz GKEPWQPNICMMQQ-WDEREUQCSA-N 0 3 197.253 2.568 20 0 AFADHN Cc1occc1CN(C)C(C)(C)C 335448613 169011864 /nfs/dbraw/zinc/01/18/64/169011864.db2.gz BDLSFZPDNPCAGR-UHFFFAOYSA-N 0 3 181.279 2.818 20 0 AFADHN Cc1occc1CN1CCC12CCC2 334876441 169011885 /nfs/dbraw/zinc/01/18/85/169011885.db2.gz SRVCVDYHEUGTMM-UHFFFAOYSA-N 0 3 191.274 2.716 20 0 AFADHN Cc1occc1CN(C)C1CCC1 307527153 169012033 /nfs/dbraw/zinc/01/20/33/169012033.db2.gz RXHPAXCUOIPGNO-UHFFFAOYSA-N 0 3 179.263 2.572 20 0 AFADHN Cc1occc1CN[C@H]1C=CCCC1 335653742 169012130 /nfs/dbraw/zinc/01/21/30/169012130.db2.gz GDLQGQHVGRBARU-LBPRGKRZSA-N 0 3 191.274 2.786 20 0 AFADHN Cc1sccc1CN(C)C1CC1 334472004 169015000 /nfs/dbraw/zinc/01/50/00/169015000.db2.gz JYZMCFRKOPGUMY-UHFFFAOYSA-N 0 3 181.304 2.651 20 0 AFADHN Cc1sccc1CN(C)C(C)C 335941281 169015141 /nfs/dbraw/zinc/01/51/41/169015141.db2.gz LPIRPXZRNNARAK-UHFFFAOYSA-N 0 3 183.320 2.897 20 0 AFADHN C[C@H]1C[C@H]1CNCc1ccc(Cl)o1 136251105 343978098 /nfs/dbraw/zinc/97/80/98/343978098.db2.gz AQYDPNOYRGHFLM-YUMQZZPRSA-N 0 3 199.681 2.679 20 0 AFADHN Clc1ccc2c(c1)CNCCS2 261508167 169022699 /nfs/dbraw/zinc/02/26/99/169022699.db2.gz QEJHOHYEOVRONH-UHFFFAOYSA-N 0 3 199.706 2.535 20 0 AFADHN Clc1ccc(CNC2CCCC2)o1 37486998 169022789 /nfs/dbraw/zinc/02/27/89/169022789.db2.gz GDQTWJPJZQZHFQ-UHFFFAOYSA-N 0 3 199.681 2.965 20 0 AFADHN Clc1ccc([C@@H]2CCCCN2)cn1 83281611 169022819 /nfs/dbraw/zinc/02/28/19/169022819.db2.gz MFXUKXSXRHICJE-VIFPVBQESA-N 0 3 196.681 2.550 20 0 AFADHN Clc1ccc(CNCC2CCC2)o1 37503952 169023008 /nfs/dbraw/zinc/02/30/08/169023008.db2.gz KTIVREGJGVCEAH-UHFFFAOYSA-N 0 3 199.681 2.823 20 0 AFADHN Clc1ccc(CNC2CC2)s1 19413465 169023493 /nfs/dbraw/zinc/02/34/93/169023493.db2.gz MNRLRTLGXRIHGU-UHFFFAOYSA-N 0 3 187.695 2.654 20 0 AFADHN Clc1ccc(CNC2CCC2)o1 52207888 169023529 /nfs/dbraw/zinc/02/35/29/169023529.db2.gz RMVWGTKBAWGLGT-UHFFFAOYSA-N 0 3 185.654 2.575 20 0 AFADHN Clc1ccc([C@H]2CCCCN2)cn1 83281612 169024051 /nfs/dbraw/zinc/02/40/51/169024051.db2.gz MFXUKXSXRHICJE-SECBINFHSA-N 0 3 196.681 2.550 20 0 AFADHN C[C@H]1C[C@H]1CNCc1ccccc1F 136254003 343978582 /nfs/dbraw/zinc/97/85/82/343978582.db2.gz NGZSWSJOYPQKRF-ONGXEEELSA-N 0 3 193.265 2.571 20 0 AFADHN FC(F)(F)CCN1CCCCCC1 307624651 169072037 /nfs/dbraw/zinc/07/20/37/169072037.db2.gz OBNRZDCRXKBJBA-UHFFFAOYSA-N 0 3 195.228 2.815 20 0 AFADHN FCCNC1CC2(CCCCC2)C1 334983145 169078202 /nfs/dbraw/zinc/07/82/02/169078202.db2.gz XACDIJZQOVQZLH-UHFFFAOYSA-N 0 3 185.286 2.658 20 0 AFADHN Fc1cc(F)cc([C@H]2CCCCN2)c1 41208965 169081533 /nfs/dbraw/zinc/08/15/33/169081533.db2.gz SDDKKMYWKCKZGJ-LLVKDONJSA-N 0 3 197.228 2.779 20 0 AFADHN Fc1ccc(CNC2CC2)cc1Cl 82531290 169083061 /nfs/dbraw/zinc/08/30/61/169083061.db2.gz OJSVSRMLNCMQRT-UHFFFAOYSA-N 0 3 199.656 2.731 20 0 AFADHN Fc1ccc(Cl)cc1CNC1CC1 34977719 169083116 /nfs/dbraw/zinc/08/31/16/169083116.db2.gz TVOXYGDAXLQEHX-UHFFFAOYSA-N 0 3 199.656 2.731 20 0 AFADHN Fc1ccc(CNC2CC2)c(Cl)c1 19385352 169083139 /nfs/dbraw/zinc/08/31/39/169083139.db2.gz LWDWKBBCWKPYGO-UHFFFAOYSA-N 0 3 199.656 2.731 20 0 AFADHN Fc1ccc(CNC2CCC2)cc1F 44481959 169083447 /nfs/dbraw/zinc/08/34/47/169083447.db2.gz ATHOZXBEFOLPJJ-UHFFFAOYSA-N 0 3 197.228 2.607 20 0 AFADHN Fc1ccc(CNC2CCC2)c(F)c1 51017110 169083505 /nfs/dbraw/zinc/08/35/05/169083505.db2.gz MBOGPZVMUAOSOS-UHFFFAOYSA-N 0 3 197.228 2.607 20 0 AFADHN Fc1ccc(F)c(CNC2CCC2)c1 52207828 169083714 /nfs/dbraw/zinc/08/37/14/169083714.db2.gz RVKYMNUQMSKVNZ-UHFFFAOYSA-N 0 3 197.228 2.607 20 0 AFADHN Fc1ccc2c(c1)[C@H](NC1CC1)CC2 107421594 169084252 /nfs/dbraw/zinc/08/42/52/169084252.db2.gz SECPKEIOAUBSRV-GFCCVEGCSA-N 0 3 191.249 2.565 20 0 AFADHN Fc1ccc2c(c1)[C@@H](NC1CC1)CC2 107421597 169085055 /nfs/dbraw/zinc/08/50/55/169085055.db2.gz SECPKEIOAUBSRV-LBPRGKRZSA-N 0 3 191.249 2.565 20 0 AFADHN Fc1cccc(CNC2CCC2)c1F 52210082 169086102 /nfs/dbraw/zinc/08/61/02/169086102.db2.gz WKSXEZPTNPZAPO-UHFFFAOYSA-N 0 3 197.228 2.607 20 0 AFADHN Fc1ccccc1CNCC1CCC1 37179708 169087995 /nfs/dbraw/zinc/08/79/95/169087995.db2.gz AUCFJSAQIVYVSV-UHFFFAOYSA-N 0 3 193.265 2.715 20 0 AFADHN NCc1cc(-c2cccs2)cs1 37184030 169218548 /nfs/dbraw/zinc/21/85/48/169218548.db2.gz SDUSTDSLSOBMDU-UHFFFAOYSA-N 0 3 195.312 2.935 20 0 AFADHN NCc1cc(-c2ccccc2)cs1 38030670 169219714 /nfs/dbraw/zinc/21/97/14/169219714.db2.gz FWFCFXIJQPKFAM-UHFFFAOYSA-N 0 3 189.283 2.874 20 0 AFADHN NCc1ccc(-c2ccco2)cc1F 68978375 169222068 /nfs/dbraw/zinc/22/20/68/169222068.db2.gz XOWANIHWRVPSNO-UHFFFAOYSA-N 0 3 191.205 2.544 20 0 in-vitro AFADHN NCc1ccc(-c2ccsc2)s1 82637589 169222609 /nfs/dbraw/zinc/22/26/09/169222609.db2.gz MDHKQAAFLTWJRR-UHFFFAOYSA-N 0 3 195.312 2.935 20 0 AFADHN NCc1ccc(Cl)c(Cl)c1F 71654878 169222673 /nfs/dbraw/zinc/22/26/73/169222673.db2.gz NRJFPVKUCKIDOD-UHFFFAOYSA-N 0 3 194.036 2.591 20 0 AFADHN NCc1csc(-c2ccccc2)c1 82636333 169228105 /nfs/dbraw/zinc/22/81/05/169228105.db2.gz RTZWLTJYELLUSI-UHFFFAOYSA-N 0 3 189.283 2.874 20 0 AFADHN N[C@@H](CC(F)(F)F)c1cccs1 19841894 169242959 /nfs/dbraw/zinc/24/29/59/169242959.db2.gz ZESMHAYBEKXHNQ-YFKPBYRVSA-N 0 3 195.209 2.700 20 0 AFADHN N[C@@H](CF)c1cccc2ccccc12 20285904 169244467 /nfs/dbraw/zinc/24/44/67/169244467.db2.gz BKSFMRCTZMLCGE-LBPRGKRZSA-N 0 3 189.233 2.809 20 0 AFADHN N[C@@H](CF)c1ccc2ccccc2c1 20285909 169244593 /nfs/dbraw/zinc/24/45/93/169244593.db2.gz SWUPTKLSWOBWBH-LBPRGKRZSA-N 0 3 189.233 2.809 20 0 AFADHN N[C@@H](c1c(F)cccc1F)C1CCC1 83121275 169248853 /nfs/dbraw/zinc/24/88/53/169248853.db2.gz MRJISWWRFLHQCK-LLVKDONJSA-N 0 3 197.228 2.765 20 0 AFADHN N[C@@H](c1ccco1)C1CCCCC1 43607227 169249379 /nfs/dbraw/zinc/24/93/79/169249379.db2.gz BMONOAQPEULGOB-LLVKDONJSA-N 0 3 179.263 2.860 20 0 AFADHN N[C@@H](c1cc(F)ccc1F)C1CCC1 19969398 169249568 /nfs/dbraw/zinc/24/95/68/169249568.db2.gz ZAUFXXQWRHSAPI-LLVKDONJSA-N 0 3 197.228 2.765 20 0 AFADHN N[C@@H](c1ccccn1)C1CCCCC1 37466269 169249865 /nfs/dbraw/zinc/24/98/65/169249865.db2.gz IYLTWMOORCQFCP-GFCCVEGCSA-N 0 3 190.290 2.662 20 0 AFADHN N[C@H](CC(F)(F)F)c1cccs1 19841900 169264180 /nfs/dbraw/zinc/26/41/80/169264180.db2.gz ZESMHAYBEKXHNQ-RXMQYKEDSA-N 0 3 195.209 2.700 20 0 AFADHN N[C@H](CF)c1ccc2ccccc2c1 20285913 169265656 /nfs/dbraw/zinc/26/56/56/169265656.db2.gz SWUPTKLSWOBWBH-GFCCVEGCSA-N 0 3 189.233 2.809 20 0 AFADHN N[C@H](CF)c1cccc2ccccc12 20285906 169265773 /nfs/dbraw/zinc/26/57/73/169265773.db2.gz BKSFMRCTZMLCGE-GFCCVEGCSA-N 0 3 189.233 2.809 20 0 AFADHN N[C@H](c1ccccn1)C1CCCCC1 37466271 169269486 /nfs/dbraw/zinc/26/94/86/169269486.db2.gz IYLTWMOORCQFCP-LBPRGKRZSA-N 0 3 190.290 2.662 20 0 AFADHN N[C@H](c1cc(F)ccc1F)C1CCC1 19969397 169269538 /nfs/dbraw/zinc/26/95/38/169269538.db2.gz ZAUFXXQWRHSAPI-NSHDSACASA-N 0 3 197.228 2.765 20 0 AFADHN N[C@H](c1ccco1)C1CCCCC1 43607229 169269597 /nfs/dbraw/zinc/26/95/97/169269597.db2.gz BMONOAQPEULGOB-NSHDSACASA-N 0 3 179.263 2.860 20 0 AFADHN N[C@H](c1c(F)cccc1F)C1CCC1 83121276 169270141 /nfs/dbraw/zinc/27/01/41/169270141.db2.gz MRJISWWRFLHQCK-NSHDSACASA-N 0 3 197.228 2.765 20 0 AFADHN c1cc(CN[C@H]2CCC23CCC3)co1 307004274 169470550 /nfs/dbraw/zinc/47/05/50/169470550.db2.gz CSJCVKUWUPHBKT-NSHDSACASA-N 0 3 191.274 2.702 20 0 AFADHN c1ccc2c(c1)CN(CCC1CC1)C2 334534779 169479197 /nfs/dbraw/zinc/47/91/97/169479197.db2.gz BNTMQFCWCMZRPA-UHFFFAOYSA-N 0 3 187.286 2.802 20 0 AFADHN c1csc(CNC2CCCCC2)n1 22862574 171043327 /nfs/dbraw/zinc/04/33/27/171043327.db2.gz CFDLITUWDNPILK-UHFFFAOYSA-N 0 3 196.319 2.565 20 0 AFADHN Fc1cc(CNC2CC2)ccc1Cl 43388160 171087482 /nfs/dbraw/zinc/08/74/82/171087482.db2.gz WLSBVGBAIBNIRD-UHFFFAOYSA-N 0 3 199.656 2.731 20 0 AFADHN CCCCCCNCc1cncs1 54770272 171099627 /nfs/dbraw/zinc/09/96/27/171099627.db2.gz UMSRFCALBUZNOO-UHFFFAOYSA-N 0 3 198.335 2.813 20 0 AFADHN Fc1c(Cl)cccc1CNC1CC1 83138118 171128805 /nfs/dbraw/zinc/12/88/05/171128805.db2.gz RQVINOBNJSLMAP-UHFFFAOYSA-N 0 3 199.656 2.731 20 0 AFADHN F[C@@H]1CCC[C@@H]1NCc1cccs1 306154297 171156636 /nfs/dbraw/zinc/15/66/36/171156636.db2.gz BCAJUGFPQDQDML-ZJUUUORDSA-N 0 3 199.294 2.728 20 0 AFADHN c1csc(CN2CCC23CCC3)c1 306620030 171158866 /nfs/dbraw/zinc/15/88/66/171158866.db2.gz WFPRVCYVGKWZFC-UHFFFAOYSA-N 0 3 193.315 2.877 20 0 AFADHN F[C@H]1CCC[C@H]1NCc1cccs1 307351037 171179233 /nfs/dbraw/zinc/17/92/33/171179233.db2.gz BCAJUGFPQDQDML-VHSXEESVSA-N 0 3 199.294 2.728 20 0 AFADHN Fc1cc(Cl)cc(CNC2CC2)c1 83343303 171181923 /nfs/dbraw/zinc/18/19/23/171181923.db2.gz OVWBMZWUZTZPBO-UHFFFAOYSA-N 0 3 199.656 2.731 20 0 AFADHN c1cc(CNC2CC3(CCC3)C2)co1 334562184 171199653 /nfs/dbraw/zinc/19/96/53/171199653.db2.gz JRZUPFYRQRXMBX-UHFFFAOYSA-N 0 3 191.274 2.702 20 0 AFADHN F[C@@H]1CCC[C@H](NCc2ccco2)C1 335371905 171202455 /nfs/dbraw/zinc/20/24/55/171202455.db2.gz KMPWOSZHFASGTM-ZJUUUORDSA-N 0 3 197.253 2.650 20 0 AFADHN F[C@H]1CCC[C@@H](NCc2ccco2)C1 335371904 171202472 /nfs/dbraw/zinc/20/24/72/171202472.db2.gz KMPWOSZHFASGTM-VHSXEESVSA-N 0 3 197.253 2.650 20 0 AFADHN F[C@H]1CCC[C@H](NCc2ccco2)C1 335371903 171202651 /nfs/dbraw/zinc/20/26/51/171202651.db2.gz KMPWOSZHFASGTM-UWVGGRQHSA-N 0 3 197.253 2.650 20 0 AFADHN F[C@@H]1CCC[C@@H](NCc2ccco2)C1 335371902 171202977 /nfs/dbraw/zinc/20/29/77/171202977.db2.gz KMPWOSZHFASGTM-NXEZZACHSA-N 0 3 197.253 2.650 20 0 AFADHN CC[C@@H]1CCN(Cc2ccco2)C1 306784386 171214173 /nfs/dbraw/zinc/21/41/73/171214173.db2.gz HUJFKHOYJHBZGI-SNVBAGLBSA-N 0 3 179.263 2.512 20 0 AFADHN Fc1cc(Cl)ccc1CNC1CC1 36947951 171217086 /nfs/dbraw/zinc/21/70/86/171217086.db2.gz DJSVKFMKYICAOE-UHFFFAOYSA-N 0 3 199.656 2.731 20 0 AFADHN Cc1ccc(CNC2CC2)c(Cl)c1 161074643 344184630 /nfs/dbraw/zinc/18/46/30/344184630.db2.gz RODYXUUSJJZZQE-UHFFFAOYSA-N 0 3 195.693 2.900 20 0 AFADHN CS[C@H](C)CN[C@@H](C)c1ccoc1 161931223 344200348 /nfs/dbraw/zinc/20/03/48/344200348.db2.gz QMSDKHBJYBTTEE-BDAKNGLRSA-N 0 3 199.319 2.682 20 0 AFADHN Cc1cccc([C@H](N)CC(C)(C)C)n1 169726681 344351748 /nfs/dbraw/zinc/35/17/48/344351748.db2.gz YMXFCRWJAKPYNE-SNVBAGLBSA-N 0 3 192.306 2.826 20 0 AFADHN Cc1cccc([C@@H](N)CC(C)(C)C)n1 169726682 344351751 /nfs/dbraw/zinc/35/17/51/344351751.db2.gz YMXFCRWJAKPYNE-JTQLQIEISA-N 0 3 192.306 2.826 20 0 AFADHN CN(Cc1cccnc1)CC(C)(C)C 202014525 344366268 /nfs/dbraw/zinc/36/62/68/344366268.db2.gz DRHQGPSBLDMGCR-UHFFFAOYSA-N 0 3 192.306 2.560 20 0 AFADHN C[C@H]1CCCN(CCC(F)(F)F)C1 205778073 344374840 /nfs/dbraw/zinc/37/48/40/344374840.db2.gz LJIDINXVUAPXKZ-QMMMGPOBSA-N 0 3 195.228 2.671 20 0 AFADHN C[C@H](c1cccnc1)N1CCCCC1 207034484 344376116 /nfs/dbraw/zinc/37/61/16/344376116.db2.gz UZFIMJZZICEDDL-LLVKDONJSA-N 0 3 190.290 2.629 20 0 AFADHN Cc1ccc(CNC(C)(C)C2CC2)o1 230675011 344639213 /nfs/dbraw/zinc/63/92/13/344639213.db2.gz QRKSFKRAEPGFBO-UHFFFAOYSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccc([C@H](N)CF)cc1Cl 238488853 344808961 /nfs/dbraw/zinc/80/89/61/344808961.db2.gz IAZMTOPTFCJBAS-SECBINFHSA-N 0 3 187.645 2.618 20 0 AFADHN C[C@H]1C[C@@H](NCCF)c2ccccc21 306236476 345129396 /nfs/dbraw/zinc/12/93/96/345129396.db2.gz HFDSHZLSHQVXKZ-JOYOIKCWSA-N 0 3 193.265 2.794 20 0 AFADHN Cc1cc([C@H](C)NC2CC2)cs1 306678182 345540610 /nfs/dbraw/zinc/54/06/10/345540610.db2.gz AOEUUPPBFYCXEO-QMMMGPOBSA-N 0 3 181.304 2.870 20 0 AFADHN Cc1cc([C@@H](C)NC2CC2)cs1 306678179 345540626 /nfs/dbraw/zinc/54/06/26/345540626.db2.gz AOEUUPPBFYCXEO-MRVPVSSYSA-N 0 3 181.304 2.870 20 0 AFADHN Cc1ccoc1CN(C)C1CCC1 306712792 345565078 /nfs/dbraw/zinc/56/50/78/345565078.db2.gz PCTJNVUUUWBHDL-UHFFFAOYSA-N 0 3 179.263 2.572 20 0 AFADHN C[C@@H]1CC[C@]12NCCc1sccc12 306814186 345631759 /nfs/dbraw/zinc/63/17/59/345631759.db2.gz BTEBMRRVQXJCBE-KCJUWKMLSA-N 0 3 193.315 2.519 20 0 AFADHN C[C@H]1CC[C@]12NCCc1sccc12 306814190 345631937 /nfs/dbraw/zinc/63/19/37/345631937.db2.gz BTEBMRRVQXJCBE-KWQFWETISA-N 0 3 193.315 2.519 20 0 AFADHN CC(C)[C@H]1CCN1Cc1ccco1 307222083 345901597 /nfs/dbraw/zinc/90/15/97/345901597.db2.gz QPHPRKFMBBYTOV-LLVKDONJSA-N 0 3 179.263 2.510 20 0 AFADHN Cc1ccnc([C@@H](C)NC2CCC2)c1 307723491 346203639 /nfs/dbraw/zinc/20/36/39/346203639.db2.gz VDVBAFYSJPICPZ-SNVBAGLBSA-N 0 3 190.290 2.593 20 0 AFADHN CCCN1CCC[C@@H]1c1cc(C)no1 335525028 346403057 /nfs/dbraw/zinc/40/30/57/346403057.db2.gz PABIPQGDINRXTN-SNVBAGLBSA-N 0 3 194.278 2.530 20 0 AFADHN C[C@H]1C[C@H]1CN1Cc2ccccc2C1 336092752 346437951 /nfs/dbraw/zinc/43/79/51/346437951.db2.gz JKRNPEXTBGMEBQ-GWCFXTLKSA-N 0 3 187.286 2.658 20 0 AFADHN C[C@H]1C[C@@H]1CN1Cc2ccccc2C1 336092753 346437976 /nfs/dbraw/zinc/43/79/76/346437976.db2.gz JKRNPEXTBGMEBQ-GXFFZTMASA-N 0 3 187.286 2.658 20 0 AFADHN CCCN(CC)Cc1ccoc1 588169081 346765752 /nfs/dbraw/zinc/76/57/52/346765752.db2.gz TVFOTTRPVASFMB-UHFFFAOYSA-N 0 3 167.252 2.512 20 0 AFADHN CC(C)CN(Cc1ccno1)C(C)C 600627829 346912957 /nfs/dbraw/zinc/91/29/57/346912957.db2.gz QVHLKZQVNBSLAI-UHFFFAOYSA-N 0 3 196.294 2.541 20 0 AFADHN CSCCN(C)[C@@H](C)c1ccco1 604501400 346963930 /nfs/dbraw/zinc/96/39/30/346963930.db2.gz IFFSTPIZCHFVCR-VIFPVBQESA-N 0 3 199.319 2.635 20 0 AFADHN CC(C)CN(Cc1ccon1)C(C)C 607150788 346988591 /nfs/dbraw/zinc/98/85/91/346988591.db2.gz RMZOYKNKIAQUIW-UHFFFAOYSA-N 0 3 196.294 2.541 20 0 AFADHN CCN(Cc1ccon1)[C@H](C)C(C)C 607192653 346990333 /nfs/dbraw/zinc/99/03/33/346990333.db2.gz KMBMOVYDTWKIHQ-SNVBAGLBSA-N 0 3 196.294 2.541 20 0 AFADHN CN(CCC(F)(F)F)C1CCCC1 607150552 346988647 /nfs/dbraw/zinc/98/86/47/346988647.db2.gz WPICITVKBSPJJU-UHFFFAOYSA-N 0 3 195.228 2.813 20 0 AFADHN C[C@@H](N(C)Cc1ccno1)C(C)(C)C 642103060 347589695 /nfs/dbraw/zinc/58/96/95/347589695.db2.gz CEPTYJKCQZRHNO-SECBINFHSA-N 0 3 196.294 2.541 20 0 AFADHN Cc1nc(C)c([C@H](C)NC2CC2)s1 82589185 351638910 /nfs/dbraw/zinc/63/89/10/351638910.db2.gz LSJPOELYCCPTOD-ZETCQYMHSA-N 0 3 196.319 2.573 20 0 AFADHN c1cc2c(o1)CCC[C@H]2NC1CCC1 44480528 351538972 /nfs/dbraw/zinc/53/89/72/351538972.db2.gz IWHWVACAIDOZCQ-LLVKDONJSA-N 0 3 191.274 2.799 20 0 AFADHN CC[C@H](C)CNCc1ccc(C)o1 53036154 409384092 /nfs/dbraw/zinc/38/40/92/409384092.db2.gz BPQBLWTWIAHTSI-VIFPVBQESA-N 0 3 181.279 2.724 20 0 AFADHN CC(C)c1ccc([C@@H](N)CF)cc1 238160266 325631656 /nfs/dbraw/zinc/63/16/56/325631656.db2.gz SELKDNORERBOBK-NSHDSACASA-N 0 3 181.254 2.779 20 0 AFADHN Cc1cc(C)c([C@@H](N)CF)c(C)c1 238546378 325632478 /nfs/dbraw/zinc/63/24/78/325632478.db2.gz DWAVRSBCPJPANZ-JTQLQIEISA-N 0 3 181.254 2.581 20 0 AFADHN Cc1cc(C)c([C@@H](N)CF)cc1C 306694067 325639628 /nfs/dbraw/zinc/63/96/28/325639628.db2.gz UKNJCTMCKCQVGI-NSHDSACASA-N 0 3 181.254 2.581 20 0 AFADHN Cc1cc(C)c([C@H](N)CF)cc1C 307065674 325640361 /nfs/dbraw/zinc/64/03/61/325640361.db2.gz UKNJCTMCKCQVGI-LLVKDONJSA-N 0 3 181.254 2.581 20 0 AFADHN CC(C)CN[C@@H](C)c1ncccc1F 527826207 325651592 /nfs/dbraw/zinc/65/15/92/325651592.db2.gz HJOHSUCSRPEDJG-VIFPVBQESA-N 0 3 196.269 2.527 20 0 AFADHN C[C@H](NCc1ccco1)[C@@H]1CC12CC2 527841168 325651700 /nfs/dbraw/zinc/65/17/00/325651700.db2.gz AAHWDLNMJWJNET-ONGXEEELSA-N 0 3 191.274 2.558 20 0 AFADHN CC[C@@H](C)N[C@@H](C)c1ncccc1F 528036108 325655723 /nfs/dbraw/zinc/65/57/23/325655723.db2.gz NOJGEOUDXCHBPQ-BDAKNGLRSA-N 0 3 196.269 2.670 20 0 AFADHN C/C(Cl)=C/CN1CCC(C)CC1 528344295 325656685 /nfs/dbraw/zinc/65/66/85/325656685.db2.gz IEEMJUPOIOUMOM-YHYXMXQVSA-N 0 3 187.714 2.861 20 0 AFADHN C/C(Cl)=C\CN1[C@H](C)C[C@H]1C 528482297 325658374 /nfs/dbraw/zinc/65/83/74/325658374.db2.gz HCAIEIJYWZPWGI-AOZRHXBJSA-N 0 3 173.687 2.612 20 0 AFADHN C/C(Cl)=C/CN1[C@H](C)C[C@H]1C 528482298 325658545 /nfs/dbraw/zinc/65/85/45/325658545.db2.gz HCAIEIJYWZPWGI-QNVIJMGISA-N 0 3 173.687 2.612 20 0 AFADHN C[C@H]1CCC[C@H](NCc2ccco2)C1 2554101 342976177 /nfs/dbraw/zinc/97/61/77/342976177.db2.gz SMBHJCTZYUSCDR-QWRGUYRKSA-N 0 3 193.290 2.948 20 0 AFADHN C[C@H](NC1CCCC1)c1ccco1 6651255 343015451 /nfs/dbraw/zinc/01/54/51/343015451.db2.gz XQYCLVBQNYJRCC-VIFPVBQESA-N 0 3 179.263 2.873 20 0 AFADHN C[C@H]1CCC[C@@H](NCc2ccco2)C1 8728491 343020428 /nfs/dbraw/zinc/02/04/28/343020428.db2.gz SMBHJCTZYUSCDR-WDEREUQCSA-N 0 3 193.290 2.948 20 0 AFADHN CC[C@H](C)N[C@@H](C)c1ccco1 19882227 343063292 /nfs/dbraw/zinc/06/32/92/343063292.db2.gz CZWMNYIAYAERPU-IUCAKERBSA-N 0 3 167.252 2.729 20 0 AFADHN CC[C@H](C)N[C@@H](C)c1ccccn1 19882140 343063452 /nfs/dbraw/zinc/06/34/52/343063452.db2.gz ZIZPMVWWVBJJLJ-UWVGGRQHSA-N 0 3 178.279 2.531 20 0 AFADHN CC[C@H](C)N[C@H](C)c1ccco1 19882230 343063460 /nfs/dbraw/zinc/06/34/60/343063460.db2.gz CZWMNYIAYAERPU-DTWKUNHWSA-N 0 3 167.252 2.729 20 0 AFADHN CC[C@H](C)N[C@H](C)c1ccccn1 19882142 343063502 /nfs/dbraw/zinc/06/35/02/343063502.db2.gz ZIZPMVWWVBJJLJ-VHSXEESVSA-N 0 3 178.279 2.531 20 0 AFADHN CCCCCN[C@H](C)c1ccccn1 19901343 343063655 /nfs/dbraw/zinc/06/36/55/343063655.db2.gz NSDSYRGJDLBWCQ-LLVKDONJSA-N 0 3 192.306 2.922 20 0 AFADHN Cc1ccc([C@@H](C)NCC2CC2)o1 19884848 343063789 /nfs/dbraw/zinc/06/37/89/343063789.db2.gz BVSAWXDVIFPMTM-SECBINFHSA-N 0 3 179.263 2.649 20 0 AFADHN C[C@H](NCC1CC1)c1ccccc1F 19884819 343063849 /nfs/dbraw/zinc/06/38/49/343063849.db2.gz LGUXUNMKHHQHCW-VIFPVBQESA-N 0 3 193.265 2.886 20 0 AFADHN Cc1ccc([C@H](C)NCC2CC2)o1 19884849 343063853 /nfs/dbraw/zinc/06/38/53/343063853.db2.gz BVSAWXDVIFPMTM-VIFPVBQESA-N 0 3 179.263 2.649 20 0 AFADHN CCCCCN[C@@H](C)c1ccccn1 19901342 343063921 /nfs/dbraw/zinc/06/39/21/343063921.db2.gz NSDSYRGJDLBWCQ-NSHDSACASA-N 0 3 192.306 2.922 20 0 AFADHN CCCCN[C@H](C)c1ccco1 19907010 343064075 /nfs/dbraw/zinc/06/40/75/343064075.db2.gz LHMAYPRDBAGJPP-SECBINFHSA-N 0 3 167.252 2.730 20 0 AFADHN CCCCN[C@H](C)c1ccccn1 19906989 343064220 /nfs/dbraw/zinc/06/42/20/343064220.db2.gz ISKHHODHPYHARK-SNVBAGLBSA-N 0 3 178.279 2.532 20 0 AFADHN CCCCN[C@@H](C)c1ccco1 19907009 343064274 /nfs/dbraw/zinc/06/42/74/343064274.db2.gz LHMAYPRDBAGJPP-VIFPVBQESA-N 0 3 167.252 2.730 20 0 AFADHN CCCCN[C@@H](C)c1ccccn1 19906988 343064280 /nfs/dbraw/zinc/06/42/80/343064280.db2.gz ISKHHODHPYHARK-JTQLQIEISA-N 0 3 178.279 2.532 20 0 AFADHN C[C@H](NCc1ccccc1F)C1CC1 19950024 343065039 /nfs/dbraw/zinc/06/50/39/343065039.db2.gz XHSTZFNLCNDCSL-VIFPVBQESA-N 0 3 193.265 2.714 20 0 AFADHN CCC(CC)NCc1csc(C)n1 20253263 343070231 /nfs/dbraw/zinc/07/02/31/343070231.db2.gz YAVZLSZJDWYZBI-UHFFFAOYSA-N 0 3 198.335 2.730 20 0 AFADHN CCCCCNCc1c(C)noc1C 20252838 343070326 /nfs/dbraw/zinc/07/03/26/343070326.db2.gz BAROCONQPAVMIX-UHFFFAOYSA-N 0 3 196.294 2.571 20 0 AFADHN CCC(CC)NCc1c(C)noc1C 20253262 343070386 /nfs/dbraw/zinc/07/03/86/343070386.db2.gz QFUDUFYYHZHDCX-UHFFFAOYSA-N 0 3 196.294 2.570 20 0 AFADHN CCC(C)(C)NCc1csc(C)n1 20252802 343070511 /nfs/dbraw/zinc/07/05/11/343070511.db2.gz MPGDQMOPJHBWLO-UHFFFAOYSA-N 0 3 198.335 2.730 20 0 AFADHN CCC[C@@H](C)NCc1csc(C)n1 20252852 343070526 /nfs/dbraw/zinc/07/05/26/343070526.db2.gz MRONNKAOCNLDST-MRVPVSSYSA-N 0 3 198.335 2.730 20 0 AFADHN Cc1cc([C@H](C)NC2CC2)c(C)o1 20437225 343073100 /nfs/dbraw/zinc/07/31/00/343073100.db2.gz DGKLKYFPJCKMKY-QMMMGPOBSA-N 0 3 179.263 2.709 20 0 AFADHN Cc1cc([C@@H](C)NC2CC2)c(C)o1 20437223 343073266 /nfs/dbraw/zinc/07/32/66/343073266.db2.gz DGKLKYFPJCKMKY-MRVPVSSYSA-N 0 3 179.263 2.709 20 0 AFADHN Cc1cc([C@@H](C)NC(C)C)c(C)o1 20437349 343073393 /nfs/dbraw/zinc/07/33/93/343073393.db2.gz ZIVXGWXZEGGBFF-SECBINFHSA-N 0 3 181.279 2.955 20 0 AFADHN C[C@H](NC1CC1)c1ccc(F)cc1F 22147971 343079706 /nfs/dbraw/zinc/07/97/06/343079706.db2.gz PDUQYZYWOGOLKY-ZETCQYMHSA-N 0 3 197.228 2.778 20 0 AFADHN C[C@H](NC1CCCC1)c1cscn1 22862664 343082482 /nfs/dbraw/zinc/08/24/82/343082482.db2.gz FOQVMBWPHFSDLZ-QMMMGPOBSA-N 0 3 196.319 2.736 20 0 AFADHN CCCCN(C)Cc1c(C)noc1C 24547643 343085968 /nfs/dbraw/zinc/08/59/68/343085968.db2.gz JJKOJEOYDHLKNX-UHFFFAOYSA-N 0 3 196.294 2.523 20 0 AFADHN CCN(CC)Cc1ccccc1F 27834020 343091468 /nfs/dbraw/zinc/09/14/68/343091468.db2.gz VXWKHKFCWLTMLN-UHFFFAOYSA-N 0 3 181.254 2.668 20 0 AFADHN CN1CCC[C@H]1c1cccc(F)c1 28104773 343092029 /nfs/dbraw/zinc/09/20/29/343092029.db2.gz KMMXYNMBHZUXKZ-NSHDSACASA-N 0 3 179.238 2.592 20 0 AFADHN C/C(Cl)=C\CN1CCCCC1 32604651 343102545 /nfs/dbraw/zinc/10/25/45/343102545.db2.gz RLESCTXFAUZISM-WEVVVXLNSA-N 0 3 173.687 2.615 20 0 AFADHN Cc1nc(C(C)(C)C)sc1[C@@H](C)N 32629001 343103169 /nfs/dbraw/zinc/10/31/69/343103169.db2.gz AISOQNNIMKUBEE-ZCFIWIBFSA-N 0 3 198.335 2.769 20 0 AFADHN Cc1nc(C(C)(C)C)sc1[C@H](C)N 32629002 343103261 /nfs/dbraw/zinc/10/32/61/343103261.db2.gz AISOQNNIMKUBEE-LURJTMIESA-N 0 3 198.335 2.769 20 0 AFADHN CC[C@H](N)c1cc2ccccc2o1 34237801 343114600 /nfs/dbraw/zinc/11/46/00/343114600.db2.gz OFDWCYVKINWUCJ-VIFPVBQESA-N 0 3 175.231 2.843 20 0 AFADHN CC[C@@H](NC)c1ccc(F)cc1F 35491634 343132774 /nfs/dbraw/zinc/13/27/74/343132774.db2.gz IOBKPUITIQGGBP-SNVBAGLBSA-N 0 3 185.217 2.635 20 0 AFADHN CC[C@H](NC)c1ccc(F)cc1F 35491632 343132934 /nfs/dbraw/zinc/13/29/34/343132934.db2.gz IOBKPUITIQGGBP-JTQLQIEISA-N 0 3 185.217 2.635 20 0 AFADHN CC(C)N[C@H]1CSc2ccccc21 35761838 343138759 /nfs/dbraw/zinc/13/87/59/343138759.db2.gz NNZWVWAJGUHMJF-JTQLQIEISA-N 0 3 193.315 2.831 20 0 AFADHN CC(C)N[C@@H]1CSc2ccccc21 35761836 343139010 /nfs/dbraw/zinc/13/90/10/343139010.db2.gz NNZWVWAJGUHMJF-SNVBAGLBSA-N 0 3 193.315 2.831 20 0 AFADHN CCCCNCc1ccc(Cl)o1 37486968 343171221 /nfs/dbraw/zinc/17/12/21/343171221.db2.gz CVIHPYLMBFDVNU-UHFFFAOYSA-N 0 3 187.670 2.823 20 0 AFADHN C[C@H](NCc1ccc(Cl)o1)C1CC1 37487281 343171360 /nfs/dbraw/zinc/17/13/60/343171360.db2.gz KNPLPAYMBICIJC-ZETCQYMHSA-N 0 3 199.681 2.821 20 0 AFADHN CC[C@H](C)NCc1ccc(Cl)o1 37486945 343171734 /nfs/dbraw/zinc/17/17/34/343171734.db2.gz MAAHGMAIJJOQBQ-ZETCQYMHSA-N 0 3 187.670 2.821 20 0 AFADHN CC(C)CCCNCc1ccco1 37897163 343179635 /nfs/dbraw/zinc/17/96/35/343179635.db2.gz ALCRLRCYHLYACQ-UHFFFAOYSA-N 0 3 181.279 2.805 20 0 AFADHN Cc1ccoc1CNC1CCCC1 37927330 343182129 /nfs/dbraw/zinc/18/21/29/343182129.db2.gz DWECGBABIZKOGA-UHFFFAOYSA-N 0 3 179.263 2.620 20 0 AFADHN CCCNCc1ccc(C)cc1F 38071657 343183925 /nfs/dbraw/zinc/18/39/25/343183925.db2.gz MPQXMEXDISUVPG-UHFFFAOYSA-N 0 3 181.254 2.634 20 0 AFADHN Cc1ccc(F)c(CNC(C)C)c1 38071653 343183973 /nfs/dbraw/zinc/18/39/73/343183973.db2.gz JCEFVPCYJPLSEO-UHFFFAOYSA-N 0 3 181.254 2.632 20 0 AFADHN CCCNCc1cc(C)ccc1F 38071652 343183994 /nfs/dbraw/zinc/18/39/94/343183994.db2.gz TWWGLZGQCXNEHS-UHFFFAOYSA-N 0 3 181.254 2.634 20 0 AFADHN CCC(CC)NCc1nc(C)cs1 38090779 343184332 /nfs/dbraw/zinc/18/43/32/343184332.db2.gz NAZAKDFZIPCIHX-UHFFFAOYSA-N 0 3 198.335 2.730 20 0 AFADHN CCC(CC)CNCc1nccs1 40444015 343218219 /nfs/dbraw/zinc/21/82/19/343218219.db2.gz MDVGSYCUQPAIGZ-UHFFFAOYSA-N 0 3 198.335 2.669 20 0 AFADHN C[C@H](NCC(C)(C)C)c1ccccn1 40492486 343219076 /nfs/dbraw/zinc/21/90/76/343219076.db2.gz MMQVPBAWAMHMKI-JTQLQIEISA-N 0 3 192.306 2.778 20 0 AFADHN Cc1ccc(CNCC(C)(C)C)o1 40492361 343219151 /nfs/dbraw/zinc/21/91/51/343219151.db2.gz QSRQWYASRUQNNK-UHFFFAOYSA-N 0 3 181.279 2.724 20 0 AFADHN C[C@H](NCC(C)(C)C)c1ccco1 40492509 343219171 /nfs/dbraw/zinc/21/91/71/343219171.db2.gz RPIKQMMQDKJAMS-VIFPVBQESA-N 0 3 181.279 2.976 20 0 AFADHN CC(C)NCc1cnc(C(C)C)s1 40996727 343225076 /nfs/dbraw/zinc/22/50/76/343225076.db2.gz ZNEPCBXSLGYERK-UHFFFAOYSA-N 0 3 198.335 2.765 20 0 AFADHN CC(C)c1ncc(CNC2CC2)s1 40996781 343225145 /nfs/dbraw/zinc/22/51/45/343225145.db2.gz SZPOMWAKXJGFLW-UHFFFAOYSA-N 0 3 196.319 2.519 20 0 AFADHN CCCNCc1csc(C2CC2)n1 40999654 343225308 /nfs/dbraw/zinc/22/53/08/343225308.db2.gz KNZAWBNMEYIFCY-UHFFFAOYSA-N 0 3 196.319 2.520 20 0 AFADHN CCCNC(C)(C)c1nc(C)cs1 41061420 343229716 /nfs/dbraw/zinc/22/97/16/343229716.db2.gz LZUPYYDLJRJZJM-UHFFFAOYSA-N 0 3 198.335 2.686 20 0 AFADHN CN(Cc1ccco1)C1CCCC1 41392376 343234670 /nfs/dbraw/zinc/23/46/70/343234670.db2.gz FWQUFNZYYQZLOU-UHFFFAOYSA-N 0 3 179.263 2.654 20 0 AFADHN CC(C)N(C)Cc1cccs1 41392538 343234716 /nfs/dbraw/zinc/23/47/16/343234716.db2.gz UZVCEEPOLXNQEW-UHFFFAOYSA-N 0 3 169.293 2.588 20 0 AFADHN CC1(NCc2cscn2)CCCC1 42177108 343237461 /nfs/dbraw/zinc/23/74/61/343237461.db2.gz LOLSFGSOTYZCCJ-UHFFFAOYSA-N 0 3 196.319 2.565 20 0 AFADHN CCCCC[C@@H](N)c1ccco1 43607014 343256411 /nfs/dbraw/zinc/25/64/11/343256411.db2.gz SYNIJJMHNCTJAP-SECBINFHSA-N 0 3 167.252 2.860 20 0 AFADHN Cc1ccc([C@H](N)CC(C)C)o1 43609806 343256560 /nfs/dbraw/zinc/25/65/60/343256560.db2.gz RAUCTUXBOPXGQG-SECBINFHSA-N 0 3 167.252 2.634 20 0 AFADHN CC1(C)C[C@@H]1NCc1ccc(F)cc1 44371764 343264101 /nfs/dbraw/zinc/26/41/01/343264101.db2.gz CSLVAYSYVZKVQW-NSHDSACASA-N 0 3 193.265 2.714 20 0 AFADHN CC1(C)C[C@@H]1NCc1ccsc1 44371264 343264112 /nfs/dbraw/zinc/26/41/12/343264112.db2.gz ZFZIQAFCHWYOIZ-VIFPVBQESA-N 0 3 181.304 2.636 20 0 AFADHN CC1(C)C[C@@H]1NCc1ccc(Cl)o1 44371046 343264117 /nfs/dbraw/zinc/26/41/17/343264117.db2.gz CKPWORQFROGFEF-QMMMGPOBSA-N 0 3 199.681 2.821 20 0 AFADHN CC1(C)C[C@@H]1NCc1ccccc1F 44370709 343264227 /nfs/dbraw/zinc/26/42/27/343264227.db2.gz JUSQQHVSMCLPSR-NSHDSACASA-N 0 3 193.265 2.714 20 0 AFADHN CC1(C)C[C@H]1NCc1ccc(Cl)o1 44371051 343264271 /nfs/dbraw/zinc/26/42/71/343264271.db2.gz CKPWORQFROGFEF-MRVPVSSYSA-N 0 3 199.681 2.821 20 0 AFADHN CC1(C)C[C@H]1NCc1ccc(F)cc1 44371769 343264380 /nfs/dbraw/zinc/26/43/80/343264380.db2.gz CSLVAYSYVZKVQW-LLVKDONJSA-N 0 3 193.265 2.714 20 0 AFADHN Clc1ccccc1CNC1CCC1 44479976 343266548 /nfs/dbraw/zinc/26/65/48/343266548.db2.gz HTAANMMVJQYFIS-UHFFFAOYSA-N 0 3 195.693 2.982 20 0 AFADHN Cc1ccc([C@@H](C)NC2CCC2)o1 44480956 343266799 /nfs/dbraw/zinc/26/67/99/343266799.db2.gz IZFFRSCSTVDDOU-SECBINFHSA-N 0 3 179.263 2.791 20 0 AFADHN Cc1ccc([C@H](C)NC2CCC2)o1 44480958 343266813 /nfs/dbraw/zinc/26/68/13/343266813.db2.gz IZFFRSCSTVDDOU-VIFPVBQESA-N 0 3 179.263 2.791 20 0 AFADHN Cc1cc(CN[C@@H](C)CC(C)C)no1 44692263 343267879 /nfs/dbraw/zinc/26/78/79/343267879.db2.gz NJQPCZCNPBHXIH-VIFPVBQESA-N 0 3 196.294 2.507 20 0 AFADHN Cc1cc(CN[C@H](C)CC(C)C)no1 44692265 343268026 /nfs/dbraw/zinc/26/80/26/343268026.db2.gz NJQPCZCNPBHXIH-SECBINFHSA-N 0 3 196.294 2.507 20 0 AFADHN Cc1cnc([C@@H](C)NC(C)C)s1 45206269 343271743 /nfs/dbraw/zinc/27/17/43/343271743.db2.gz ORFREGLLBVNGSC-MRVPVSSYSA-N 0 3 184.308 2.511 20 0 AFADHN Cc1cnc([C@H](C)NC(C)C)s1 45206270 343271778 /nfs/dbraw/zinc/27/17/78/343271778.db2.gz ORFREGLLBVNGSC-QMMMGPOBSA-N 0 3 184.308 2.511 20 0 AFADHN C[C@H](NC1CC1)c1ccsc1 50337297 343281850 /nfs/dbraw/zinc/28/18/50/343281850.db2.gz OZRZMBGBQCSVLK-ZETCQYMHSA-N 0 3 167.277 2.561 20 0 AFADHN CCc1csc([C@@H]2CCCCN2)n1 52125992 343300232 /nfs/dbraw/zinc/30/02/32/343300232.db2.gz GPCFLEWCYTZPPF-VIFPVBQESA-N 0 3 196.319 2.520 20 0 AFADHN CCc1csc([C@H]2CCCCN2)n1 52125993 343300321 /nfs/dbraw/zinc/30/03/21/343300321.db2.gz GPCFLEWCYTZPPF-SECBINFHSA-N 0 3 196.319 2.520 20 0 AFADHN Cc1ccc(F)c(CNCC2CC2)c1 52982941 343312077 /nfs/dbraw/zinc/31/20/77/343312077.db2.gz INXQRIWGGQCATA-UHFFFAOYSA-N 0 3 193.265 2.634 20 0 AFADHN CCCc1ccc2c(c1)C(=O)C(C)O2 53331416 343314352 /nfs/dbraw/zinc/31/43/52/343314352.db2.gz AHBYIZOQVKALIA-MRVPVSSYSA-N 0 3 190.242 2.603 20 0 AFADHN CC(C)SCCNCc1ccco1 53623188 343314851 /nfs/dbraw/zinc/31/48/51/343314851.db2.gz ZCWUIVKAQGRDBH-UHFFFAOYSA-N 0 3 199.319 2.511 20 0 AFADHN CC(C)(C)CCNCc1nccs1 58455793 343339958 /nfs/dbraw/zinc/33/99/58/343339958.db2.gz OSEAGLYQRPXDGE-UHFFFAOYSA-N 0 3 198.335 2.669 20 0 AFADHN CN1CC[C@H](c2cccc(Cl)c2)C1 60313481 343353248 /nfs/dbraw/zinc/35/32/48/343353248.db2.gz NKGPTPMYTQPTDM-JTQLQIEISA-N 0 3 195.693 2.759 20 0 AFADHN CN1CC[C@@H](c2cccc(Cl)c2)C1 60313482 343353254 /nfs/dbraw/zinc/35/32/54/343353254.db2.gz NKGPTPMYTQPTDM-SNVBAGLBSA-N 0 3 195.693 2.759 20 0 AFADHN Cc1cc([C@H]2CCCCN2)c(C)o1 68576080 343411700 /nfs/dbraw/zinc/41/17/00/343411700.db2.gz WHNORUOQLIDAGX-LLVKDONJSA-N 0 3 179.263 2.711 20 0 AFADHN Cc1cc([C@@H]2CCCCN2)c(C)o1 68576078 343411783 /nfs/dbraw/zinc/41/17/83/343411783.db2.gz WHNORUOQLIDAGX-NSHDSACASA-N 0 3 179.263 2.711 20 0 AFADHN NCc1cc(-c2ccoc2)ccc1F 68978197 343417982 /nfs/dbraw/zinc/41/79/82/343417982.db2.gz LSQXYRLFMDBUFY-UHFFFAOYSA-N 0 3 191.205 2.544 20 0 AFADHN NCc1ccc(-c2ccoc2)cc1F 68978296 343418525 /nfs/dbraw/zinc/41/85/25/343418525.db2.gz JGKVTXMWUVXLDC-UHFFFAOYSA-N 0 3 191.205 2.544 20 0 AFADHN C[C@H](CC1CC1)NCc1ccco1 69663857 343431354 /nfs/dbraw/zinc/43/13/54/343431354.db2.gz ZAIOMXRDNLAFSP-SECBINFHSA-N 0 3 179.263 2.558 20 0 AFADHN Cc1ccc(CN[C@@H](C)CC2CC2)o1 69662294 343431369 /nfs/dbraw/zinc/43/13/69/343431369.db2.gz GNFPCCLAOAGCBB-VIFPVBQESA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccc(CN[C@H](C)CC2CC2)o1 69662296 343431375 /nfs/dbraw/zinc/43/13/75/343431375.db2.gz GNFPCCLAOAGCBB-SECBINFHSA-N 0 3 193.290 2.866 20 0 AFADHN C[C@@H](CC1CC1)NCc1ccco1 69663852 343431419 /nfs/dbraw/zinc/43/14/19/343431419.db2.gz ZAIOMXRDNLAFSP-VIFPVBQESA-N 0 3 179.263 2.558 20 0 AFADHN CC(C)[C@@H](N)c1c(F)cccc1F 69759004 343439071 /nfs/dbraw/zinc/43/90/71/343439071.db2.gz DLJIDWFDHWTCHX-SNVBAGLBSA-N 0 3 185.217 2.621 20 0 AFADHN CC(C)[C@H](N)c1c(F)cccc1F 69759003 343439078 /nfs/dbraw/zinc/43/90/78/343439078.db2.gz DLJIDWFDHWTCHX-JTQLQIEISA-N 0 3 185.217 2.621 20 0 AFADHN Cc1ccc(-c2cnccc2N)cc1 69841245 343444486 /nfs/dbraw/zinc/44/44/86/343444486.db2.gz YCHFLHDSRXEUHZ-UHFFFAOYSA-N 0 3 184.242 2.639 20 0 AFADHN Cc1cccc(-c2cnccc2N)c1 69841308 343444644 /nfs/dbraw/zinc/44/46/44/343444644.db2.gz ALCGJRHFYFTPKN-UHFFFAOYSA-N 0 3 184.242 2.639 20 0 AFADHN CC(C)(C)CCNCc1cscn1 70167286 343476835 /nfs/dbraw/zinc/47/68/35/343476835.db2.gz WYKBEWSKYCJKHP-UHFFFAOYSA-N 0 3 198.335 2.669 20 0 AFADHN CSCCN[C@H](C)c1ccc(C)o1 70184606 343477327 /nfs/dbraw/zinc/47/73/27/343477327.db2.gz WUCCHPLNQMQZMO-SECBINFHSA-N 0 3 199.319 2.602 20 0 AFADHN CSCCN[C@@H](C)c1ccc(C)o1 70184607 343477344 /nfs/dbraw/zinc/47/73/44/343477344.db2.gz WUCCHPLNQMQZMO-VIFPVBQESA-N 0 3 199.319 2.602 20 0 AFADHN C[C@@H](NCC(C)(C)C)c1nccs1 70621405 343504745 /nfs/dbraw/zinc/50/47/45/343504745.db2.gz ZQCDEQXLRAQEEC-MRVPVSSYSA-N 0 3 198.335 2.840 20 0 AFADHN C[C@H](NCC(C)(C)C)c1nccs1 70621404 343504801 /nfs/dbraw/zinc/50/48/01/343504801.db2.gz ZQCDEQXLRAQEEC-QMMMGPOBSA-N 0 3 198.335 2.840 20 0 AFADHN CC[C@H](C)N[C@H](C)c1nccs1 70634108 343511229 /nfs/dbraw/zinc/51/12/29/343511229.db2.gz CQCXHIANZDMLAH-JGVFFNPUSA-N 0 3 184.308 2.592 20 0 AFADHN CC(C)[C@H](C)N[C@H](C)c1nccs1 70633968 343511225 /nfs/dbraw/zinc/51/12/25/343511225.db2.gz PXPJVWXZPOPXSQ-DTWKUNHWSA-N 0 3 198.335 2.838 20 0 AFADHN CCCCCN[C@H](C)c1nccs1 70634098 343511259 /nfs/dbraw/zinc/51/12/59/343511259.db2.gz GOMILEKWJUTQJZ-SECBINFHSA-N 0 3 198.335 2.984 20 0 AFADHN CCC(CC)N[C@H](C)c1nccs1 70634092 343511276 /nfs/dbraw/zinc/51/12/76/343511276.db2.gz MGLZYKMCMGVMFT-MRVPVSSYSA-N 0 3 198.335 2.982 20 0 AFADHN CC[C@H](C)N[C@@H](C)c1nccs1 70634106 343511331 /nfs/dbraw/zinc/51/13/31/343511331.db2.gz CQCXHIANZDMLAH-YUMQZZPRSA-N 0 3 184.308 2.592 20 0 AFADHN Cc1csc([C@@H](C)NC2CCC2)n1 70634215 343511353 /nfs/dbraw/zinc/51/13/53/343511353.db2.gz QVZYGPMUFYQIPQ-MRVPVSSYSA-N 0 3 196.319 2.655 20 0 AFADHN CCCCN[C@@H](C)c1nccs1 70633969 343511359 /nfs/dbraw/zinc/51/13/59/343511359.db2.gz JYTCBWXKNQPTJO-QMMMGPOBSA-N 0 3 184.308 2.594 20 0 AFADHN CC(C)[C@@H](C)N[C@@H](C)c1nccs1 70633965 343511363 /nfs/dbraw/zinc/51/13/63/343511363.db2.gz PXPJVWXZPOPXSQ-BDAKNGLRSA-N 0 3 198.335 2.838 20 0 AFADHN CCC(CC)N[C@@H](C)c1nccs1 70634091 343511367 /nfs/dbraw/zinc/51/13/67/343511367.db2.gz MGLZYKMCMGVMFT-QMMMGPOBSA-N 0 3 198.335 2.982 20 0 AFADHN CCCCN[C@H](C)c1nccs1 70633970 343511442 /nfs/dbraw/zinc/51/14/42/343511442.db2.gz JYTCBWXKNQPTJO-MRVPVSSYSA-N 0 3 184.308 2.594 20 0 AFADHN CC(C)[C@@H](C)N[C@H](C)c1nccs1 70633967 343511489 /nfs/dbraw/zinc/51/14/89/343511489.db2.gz PXPJVWXZPOPXSQ-RKDXNWHRSA-N 0 3 198.335 2.838 20 0 AFADHN Cc1csc([C@H](C)NC2CCC2)n1 70634216 343511524 /nfs/dbraw/zinc/51/15/24/343511524.db2.gz QVZYGPMUFYQIPQ-QMMMGPOBSA-N 0 3 196.319 2.655 20 0 AFADHN C[C@H]1CC[C@@H](NCc2ccco2)C1 70642692 343514522 /nfs/dbraw/zinc/51/45/22/343514522.db2.gz YOQOOLODYAIRSS-VHSXEESVSA-N 0 3 179.263 2.558 20 0 AFADHN C[C@H]1CC[C@H](NCc2ccco2)C1 70642690 343514549 /nfs/dbraw/zinc/51/45/49/343514549.db2.gz YOQOOLODYAIRSS-UWVGGRQHSA-N 0 3 179.263 2.558 20 0 AFADHN Cc1ccc(CN[C@H]2CC[C@@H](C)C2)o1 70762518 343529088 /nfs/dbraw/zinc/52/90/88/343529088.db2.gz LNGHFWFTFKBAOI-KOLCDFICSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccc(CN[C@@H]2CC[C@H](C)C2)o1 70762513 343529278 /nfs/dbraw/zinc/52/92/78/343529278.db2.gz LNGHFWFTFKBAOI-GXSJLCMTSA-N 0 3 193.290 2.866 20 0 AFADHN C[C@H]([NH3+])c1ccc([O-])c2ccccc12 71450974 343552646 /nfs/dbraw/zinc/55/26/46/343552646.db2.gz JPLPWOCTHNZHMW-QMMMGPOBSA-N 0 3 187.242 2.565 20 0 AFADHN C[C@H](c1ccccn1)N1CCCCC1 80855392 343592654 /nfs/dbraw/zinc/59/26/54/343592654.db2.gz VMDLLICQHJQUOR-LLVKDONJSA-N 0 3 190.290 2.629 20 0 AFADHN c1cc(CN2CCCCC2)cs1 82023698 343594515 /nfs/dbraw/zinc/59/45/15/343594515.db2.gz SWHHNIUDRFDQFR-UHFFFAOYSA-N 0 3 181.304 2.734 20 0 AFADHN CC[C@@]1(C)C[C@H](N)c2ccccc2O1 82162657 343595422 /nfs/dbraw/zinc/59/54/22/343595422.db2.gz GRSLNYGHBQAPEG-JQWIXIFHSA-N 0 3 191.274 2.638 20 0 AFADHN CC[C@]1(C)C[C@H](N)c2ccccc2O1 82162656 343595453 /nfs/dbraw/zinc/59/54/53/343595453.db2.gz GRSLNYGHBQAPEG-CMPLNLGQSA-N 0 3 191.274 2.638 20 0 AFADHN CC[C@]1(C)C[C@@H](N)c2ccccc2O1 82162661 343595541 /nfs/dbraw/zinc/59/55/41/343595541.db2.gz GRSLNYGHBQAPEG-ZYHUDNBSSA-N 0 3 191.274 2.638 20 0 AFADHN CC[C@@]1(C)C[C@@H](N)c2ccccc2O1 82162662 343595640 /nfs/dbraw/zinc/59/56/40/343595640.db2.gz GRSLNYGHBQAPEG-PWSUYJOCSA-N 0 3 191.274 2.638 20 0 AFADHN CC(C)CCCNCc1nccs1 82394068 343600650 /nfs/dbraw/zinc/60/06/50/343600650.db2.gz IUMXTQRGKRMVAK-UHFFFAOYSA-N 0 3 198.335 2.669 20 0 AFADHN CC1(NCc2nccs2)CCCC1 82404012 343601896 /nfs/dbraw/zinc/60/18/96/343601896.db2.gz NZJIPIVXTDPRBV-UHFFFAOYSA-N 0 3 196.319 2.565 20 0 AFADHN CCC[C@@H](CC)NCc1nccs1 82432874 343604091 /nfs/dbraw/zinc/60/40/91/343604091.db2.gz VQEJFDZPSYACBA-SECBINFHSA-N 0 3 198.335 2.811 20 0 AFADHN Cc1cccc([C@@H](N)C2CCCC2)n1 82451541 343604320 /nfs/dbraw/zinc/60/43/20/343604320.db2.gz CJWJAWCWXABDNK-LBPRGKRZSA-N 0 3 190.290 2.580 20 0 AFADHN Cc1cccc([C@H](N)C2CCCC2)n1 82451539 343604382 /nfs/dbraw/zinc/60/43/82/343604382.db2.gz CJWJAWCWXABDNK-GFCCVEGCSA-N 0 3 190.290 2.580 20 0 AFADHN CCC(CC)CNCc1cscn1 82515028 343605504 /nfs/dbraw/zinc/60/55/04/343605504.db2.gz WZALEBZWYWDZEG-UHFFFAOYSA-N 0 3 198.335 2.669 20 0 AFADHN CC1(CNCc2ccco2)CCCC1 82619034 343607878 /nfs/dbraw/zinc/60/78/78/343607878.db2.gz ABQJUYYVBQCUIO-UHFFFAOYSA-N 0 3 193.290 2.950 20 0 AFADHN Cc1cccc(-c2cncc(CN)c2)c1 82638305 343609193 /nfs/dbraw/zinc/60/91/93/343609193.db2.gz KKVIRKXOUMXQJK-UHFFFAOYSA-N 0 3 198.269 2.516 20 0 AFADHN Cc1cccc(CNC(C)C)c1F 83340641 343618729 /nfs/dbraw/zinc/61/87/29/343618729.db2.gz FLTKRANLXGREPH-UHFFFAOYSA-N 0 3 181.254 2.632 20 0 AFADHN CCCCNCc1ccncc1Cl 83343056 343618923 /nfs/dbraw/zinc/61/89/23/343618923.db2.gz SSPJLSVIERRWJF-UHFFFAOYSA-N 0 3 198.697 2.625 20 0 AFADHN CC[C@H](C)NCc1ccncc1Cl 83343050 343618989 /nfs/dbraw/zinc/61/89/89/343618989.db2.gz XEOAXLLZVUMYIA-QMMMGPOBSA-N 0 3 198.697 2.623 20 0 AFADHN Clc1ccc(CNCCC2CC2)o1 83893445 343627205 /nfs/dbraw/zinc/62/72/05/343627205.db2.gz JSCKQNUHXGFQPV-UHFFFAOYSA-N 0 3 199.681 2.823 20 0 AFADHN Fc1ccccc1CNCCC1CC1 83893990 343627858 /nfs/dbraw/zinc/62/78/58/343627858.db2.gz VWPGZIDRASKMON-UHFFFAOYSA-N 0 3 193.265 2.715 20 0 AFADHN CNC1(c2cccc(Cl)c2)CC1 84336593 343634659 /nfs/dbraw/zinc/63/46/59/343634659.db2.gz CRTNTVWHONESLP-UHFFFAOYSA-N 0 3 181.666 2.549 20 0 AFADHN Cc1cc(C)nc(NC(C)C)c1 84427784 343637194 /nfs/dbraw/zinc/63/71/94/343637194.db2.gz RSEFOTPHSCZFKQ-UHFFFAOYSA-N 0 3 164.252 2.519 20 0 AFADHN Clc1csc(CNC2CC2)c1 86331952 343651418 /nfs/dbraw/zinc/65/14/18/343651418.db2.gz DRQZVKNHDPDEIY-UHFFFAOYSA-N 0 3 187.695 2.654 20 0 AFADHN CSCCCN[C@H](C)c1ccoc1 87290273 343659433 /nfs/dbraw/zinc/65/94/33/343659433.db2.gz IIAWEXGFPPDCCR-SECBINFHSA-N 0 3 199.319 2.683 20 0 AFADHN CSCCCN[C@@H](C)c1ccoc1 87290272 343659506 /nfs/dbraw/zinc/65/95/06/343659506.db2.gz IIAWEXGFPPDCCR-VIFPVBQESA-N 0 3 199.319 2.683 20 0 AFADHN C[C@H](NC1CC1)c1cc(F)cc(F)c1 87263335 343659577 /nfs/dbraw/zinc/65/95/77/343659577.db2.gz QRMDARQHODHMRF-ZETCQYMHSA-N 0 3 197.228 2.778 20 0 AFADHN CCNCc1sccc1Cl 87622294 343662691 /nfs/dbraw/zinc/66/26/91/343662691.db2.gz LPSAKJYPARBBOE-UHFFFAOYSA-N 0 3 175.684 2.511 20 0 AFADHN Clc1ccsc1CNC1CC1 87721090 343663370 /nfs/dbraw/zinc/66/33/70/343663370.db2.gz CPZWLGRSHZBUFI-UHFFFAOYSA-N 0 3 187.695 2.654 20 0 AFADHN FCCN[C@H]1CCCc2ccccc21 87774786 343663866 /nfs/dbraw/zinc/66/38/66/343663866.db2.gz BUPYDSLZXCLLDZ-LBPRGKRZSA-N 0 3 193.265 2.623 20 0 AFADHN FCCN[C@@H]1CCCc2ccccc21 87774787 343663910 /nfs/dbraw/zinc/66/39/10/343663910.db2.gz BUPYDSLZXCLLDZ-GFCCVEGCSA-N 0 3 193.265 2.623 20 0 AFADHN C[C@H]1CC[C@@H](NCc2ccco2)CC1 106189559 343737816 /nfs/dbraw/zinc/73/78/16/343737816.db2.gz VVZFFBUMEYIHPW-XYPYZODXSA-N 0 3 193.290 2.948 20 0 AFADHN C[C@H](NCc1ccco1)C(C)(C)C 106789703 343738726 /nfs/dbraw/zinc/73/87/26/343738726.db2.gz LBTSCNQMXNMGTO-VIFPVBQESA-N 0 3 181.279 2.804 20 0 AFADHN C[C@@H](NCc1ccco1)C(C)(C)C 106789704 343738789 /nfs/dbraw/zinc/73/87/89/343738789.db2.gz LBTSCNQMXNMGTO-SECBINFHSA-N 0 3 181.279 2.804 20 0 AFADHN CC(C)(C)c1ccc([C@@H](N)CF)cc1 107138771 343744142 /nfs/dbraw/zinc/74/41/42/343744142.db2.gz KGJYTCLPDFNJRE-NSHDSACASA-N 0 3 195.281 2.953 20 0 AFADHN CC(C)(C)c1ccc([C@H](N)CF)cc1 107138768 343744177 /nfs/dbraw/zinc/74/41/77/343744177.db2.gz KGJYTCLPDFNJRE-LLVKDONJSA-N 0 3 195.281 2.953 20 0 AFADHN CC[C@](F)(CN)c1ccc(C)cc1 108294106 343751822 /nfs/dbraw/zinc/75/18/22/343751822.db2.gz QNHCRZOVQMSDRW-NSHDSACASA-N 0 3 181.254 2.529 20 0 AFADHN CC[C@@](F)(CN)c1ccc(C)cc1 108294101 343751916 /nfs/dbraw/zinc/75/19/16/343751916.db2.gz QNHCRZOVQMSDRW-LLVKDONJSA-N 0 3 181.254 2.529 20 0 AFADHN C[C@@H]1CCCN(CCC(F)(F)F)C1 112942291 343756035 /nfs/dbraw/zinc/75/60/35/343756035.db2.gz LJIDINXVUAPXKZ-MRVPVSSYSA-N 0 3 195.228 2.671 20 0 AFADHN CCC[C@H](C)N(C)Cc1ccccn1 113246624 343757783 /nfs/dbraw/zinc/75/77/83/343757783.db2.gz SVSFWUFDUCGLLI-NSHDSACASA-N 0 3 192.306 2.702 20 0 AFADHN C(=C\c1ccccc1)\CN1CCCC1 114221551 343762210 /nfs/dbraw/zinc/76/22/10/343762210.db2.gz JQDDBKPKXAUWMP-TWGQIWQCSA-N 0 3 187.286 2.796 20 0 AFADHN C(=C/c1ccccc1)\CN1CCCC1 114221554 343762315 /nfs/dbraw/zinc/76/23/15/343762315.db2.gz JQDDBKPKXAUWMP-RMKNXTFCSA-N 0 3 187.286 2.796 20 0 AFADHN CC1CCN(CCC(F)(F)F)CC1 116409394 343769638 /nfs/dbraw/zinc/76/96/38/343769638.db2.gz AFWBPNTWRKVDCI-UHFFFAOYSA-N 0 3 195.228 2.671 20 0 AFADHN CCCC(C)(C)NCc1nccs1 123192570 343782380 /nfs/dbraw/zinc/78/23/80/343782380.db2.gz JYDOOVSQBBNZMF-UHFFFAOYSA-N 0 3 198.335 2.811 20 0 AFADHN CCCC(C)(C)NCc1ccccn1 123194738 343782505 /nfs/dbraw/zinc/78/25/05/343782505.db2.gz FLPQRDVWHLCGPK-UHFFFAOYSA-N 0 3 192.306 2.750 20 0 AFADHN CCCC(C)(C)NCc1ccco1 123192051 343782580 /nfs/dbraw/zinc/78/25/80/343782580.db2.gz ZYEBWFCILVWWLL-UHFFFAOYSA-N 0 3 181.279 2.948 20 0 AFADHN Cc1ccoc1CNCCC(C)C 126615429 343794732 /nfs/dbraw/zinc/79/47/32/343794732.db2.gz VHAZDKUWZXNQIZ-UHFFFAOYSA-N 0 3 181.279 2.724 20 0 AFADHN Cc1ccoc1CN[C@@H](C)C(C)C 126635757 343794740 /nfs/dbraw/zinc/79/47/40/343794740.db2.gz CDLJUKDIDUYCEP-JTQLQIEISA-N 0 3 181.279 2.722 20 0 AFADHN CCC(CC)NCc1occc1C 126613263 343794773 /nfs/dbraw/zinc/79/47/73/343794773.db2.gz NGEMZYYDIYGSNE-UHFFFAOYSA-N 0 3 181.279 2.866 20 0 AFADHN Cc1ccoc1CN[C@H](C)C(C)C 126636016 343794928 /nfs/dbraw/zinc/79/49/28/343794928.db2.gz CDLJUKDIDUYCEP-SNVBAGLBSA-N 0 3 181.279 2.722 20 0 AFADHN CCC[C@H](C)NCc1occc1C 126601845 343794944 /nfs/dbraw/zinc/79/49/44/343794944.db2.gz DNVHQRXABSZMBT-JTQLQIEISA-N 0 3 181.279 2.866 20 0 AFADHN CCCCCNCc1occc1C 126619265 343795033 /nfs/dbraw/zinc/79/50/33/343795033.db2.gz VCYIJVIZIXAXDU-UHFFFAOYSA-N 0 3 181.279 2.868 20 0 AFADHN CCC[C@@H](C)NCc1occc1C 126601606 343795142 /nfs/dbraw/zinc/79/51/42/343795142.db2.gz DNVHQRXABSZMBT-SNVBAGLBSA-N 0 3 181.279 2.866 20 0 AFADHN CCC(C)(C)NCc1occc1C 126738740 343796354 /nfs/dbraw/zinc/79/63/54/343796354.db2.gz ARJGJOHXPGBOGL-UHFFFAOYSA-N 0 3 181.279 2.866 20 0 AFADHN Cc1ccoc1CNCC(C)(C)C 126712617 343795961 /nfs/dbraw/zinc/79/59/61/343795961.db2.gz WGUKZYKJDFMQAB-UHFFFAOYSA-N 0 3 181.279 2.724 20 0 AFADHN Cc1ccoc1CN[C@H](C)CC1CC1 126826209 343797851 /nfs/dbraw/zinc/79/78/51/343797851.db2.gz GPAKYGRXCDHCSN-SNVBAGLBSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccoc1CN[C@@H](C)CC1CC1 126825958 343798143 /nfs/dbraw/zinc/79/81/43/343798143.db2.gz GPAKYGRXCDHCSN-JTQLQIEISA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccoc1CN[C@@H]1CC=CCC1 126920878 343800452 /nfs/dbraw/zinc/80/04/52/343800452.db2.gz RCWUUVFEUWIMCY-LLVKDONJSA-N 0 3 191.274 2.786 20 0 AFADHN CCC(CC)C[C@@H](N)c1ccccn1 128039406 343823453 /nfs/dbraw/zinc/82/34/53/343823453.db2.gz RRECWMZLNVSVJX-LLVKDONJSA-N 0 3 192.306 2.908 20 0 AFADHN CCC(CC)C[C@H](N)c1ccccn1 128039170 343823599 /nfs/dbraw/zinc/82/35/99/343823599.db2.gz RRECWMZLNVSVJX-NSHDSACASA-N 0 3 192.306 2.908 20 0 AFADHN CC1CC(NCc2ccc(Cl)o2)C1 128865149 343839272 /nfs/dbraw/zinc/83/92/72/343839272.db2.gz CQUJFTPTQKKLJC-UHFFFAOYSA-N 0 3 199.681 2.821 20 0 AFADHN CC(C)NC1(c2ccccc2F)CC1 132388115 343897832 /nfs/dbraw/zinc/89/78/32/343897832.db2.gz MMPJBOHSPFWNGP-UHFFFAOYSA-N 0 3 193.265 2.813 20 0 AFADHN CC(C)(C)c1cc(CN)cs1 132774322 343903550 /nfs/dbraw/zinc/90/35/50/343903550.db2.gz DQFCFUIOSCTNCX-UHFFFAOYSA-N 0 3 169.293 2.504 20 0 AFADHN C[C@@H](NCc1nccs1)C(C)(C)C 132843251 343905673 /nfs/dbraw/zinc/90/56/73/343905673.db2.gz WMRWVVYBOQBCTO-MRVPVSSYSA-N 0 3 198.335 2.667 20 0 AFADHN C[C@H](NCc1nccs1)C(C)(C)C 132843036 343905844 /nfs/dbraw/zinc/90/58/44/343905844.db2.gz WMRWVVYBOQBCTO-QMMMGPOBSA-N 0 3 198.335 2.667 20 0 AFADHN C[C@H](NCc1cscn1)C(C)(C)C 132856627 343906193 /nfs/dbraw/zinc/90/61/93/343906193.db2.gz MYYJYKJADYNETG-QMMMGPOBSA-N 0 3 198.335 2.667 20 0 AFADHN C[C@H](NC1CC1)c1cccc(F)c1F 133632613 343923857 /nfs/dbraw/zinc/92/38/57/343923857.db2.gz ZTEXESAGRNFTLA-ZETCQYMHSA-N 0 3 197.228 2.778 20 0 AFADHN C[C@@H](NC1CC1)c1cccc(F)c1F 133632795 343923912 /nfs/dbraw/zinc/92/39/12/343923912.db2.gz ZTEXESAGRNFTLA-SSDOTTSWSA-N 0 3 197.228 2.778 20 0 AFADHN CSC[C@H](C)N[C@@H](C)c1ccco1 133982135 343930567 /nfs/dbraw/zinc/93/05/67/343930567.db2.gz JEBRTFMQVRWHHC-IUCAKERBSA-N 0 3 199.319 2.682 20 0 AFADHN CSC[C@@H](C)N[C@@H](C)c1ccco1 133982332 343931139 /nfs/dbraw/zinc/93/11/39/343931139.db2.gz JEBRTFMQVRWHHC-BDAKNGLRSA-N 0 3 199.319 2.682 20 0 AFADHN CSC[C@@H](C)N[C@H](C)c1ccco1 133982753 343931191 /nfs/dbraw/zinc/93/11/91/343931191.db2.gz JEBRTFMQVRWHHC-RKDXNWHRSA-N 0 3 199.319 2.682 20 0 AFADHN CSC[C@H](C)N[C@@H](C)c1ccoc1 134015380 343931578 /nfs/dbraw/zinc/93/15/78/343931578.db2.gz JEEJBIDYWZKTRT-IUCAKERBSA-N 0 3 199.319 2.682 20 0 AFADHN CSC[C@@H](C)N[C@@H](C)c1ccoc1 134015575 343931660 /nfs/dbraw/zinc/93/16/60/343931660.db2.gz JEEJBIDYWZKTRT-BDAKNGLRSA-N 0 3 199.319 2.682 20 0 AFADHN CSC[C@H](C)N[C@H](C)c1ccoc1 134015757 343931851 /nfs/dbraw/zinc/93/18/51/343931851.db2.gz JEEJBIDYWZKTRT-DTWKUNHWSA-N 0 3 199.319 2.682 20 0 AFADHN Cc1cc(C)nc(N[C@@H](C)C2CC2)c1 134350203 343941203 /nfs/dbraw/zinc/94/12/03/343941203.db2.gz JCKJUXJTQQJMQR-JTQLQIEISA-N 0 3 190.290 2.909 20 0 AFADHN Cc1cc(C)nc(N[C@H](C)C2CC2)c1 134350225 343941306 /nfs/dbraw/zinc/94/13/06/343941306.db2.gz JCKJUXJTQQJMQR-SNVBAGLBSA-N 0 3 190.290 2.909 20 0 AFADHN Cc1ccc(CNC[C@@H](C)C2CC2)o1 136211735 343977525 /nfs/dbraw/zinc/97/75/25/343977525.db2.gz NHIGFPZVLISELH-SECBINFHSA-N 0 3 193.290 2.724 20 0 AFADHN Cc1ccc(CNC[C@H](C)C2CC2)o1 136211774 343977605 /nfs/dbraw/zinc/97/76/05/343977605.db2.gz NHIGFPZVLISELH-VIFPVBQESA-N 0 3 193.290 2.724 20 0 AFADHN C[C@H]1C[C@@H]1CNCc1ccc(Cl)o1 136251028 343978134 /nfs/dbraw/zinc/97/81/34/343978134.db2.gz AQYDPNOYRGHFLM-JGVFFNPUSA-N 0 3 199.681 2.679 20 0 AFADHN C[C@@H]1C[C@H]1CNCc1ccc(Cl)o1 136251067 343978131 /nfs/dbraw/zinc/97/81/31/343978131.db2.gz AQYDPNOYRGHFLM-SFYZADRCSA-N 0 3 199.681 2.679 20 0 AFADHN C[C@@H]1C[C@@H]1CNCc1ccc(Cl)o1 136250988 343978145 /nfs/dbraw/zinc/97/81/45/343978145.db2.gz AQYDPNOYRGHFLM-HTQZYQBOSA-N 0 3 199.681 2.679 20 0 AFADHN C[C@H]1C[C@@H]1CNCc1ccccc1F 136253931 343978482 /nfs/dbraw/zinc/97/84/82/343978482.db2.gz NGZSWSJOYPQKRF-GXSJLCMTSA-N 0 3 193.265 2.571 20 0 AFADHN C[C@@H]1C[C@H]1CNCc1ccccc1F 136253969 343978695 /nfs/dbraw/zinc/97/86/95/343978695.db2.gz NGZSWSJOYPQKRF-KOLCDFICSA-N 0 3 193.265 2.571 20 0 AFADHN C[C@@H]1C[C@@H]1CNCc1ccccc1F 136253901 343978704 /nfs/dbraw/zinc/97/87/04/343978704.db2.gz NGZSWSJOYPQKRF-MWLCHTKSSA-N 0 3 193.265 2.571 20 0 AFADHN C[C@@H](c1cccnc1)N1CCCCC1 137242118 343984053 /nfs/dbraw/zinc/98/40/53/343984053.db2.gz UZFIMJZZICEDDL-NSHDSACASA-N 0 3 190.290 2.629 20 0 AFADHN CC(C)N1Cc2ccccc2[C@@H]1C 145761995 344035638 /nfs/dbraw/zinc/03/56/38/344035638.db2.gz UCFJNYWTBKOGGL-JTQLQIEISA-N 0 3 175.275 2.972 20 0 AFADHN CC(C)N1Cc2ccccc2[C@H]1C 145762202 344035732 /nfs/dbraw/zinc/03/57/32/344035732.db2.gz UCFJNYWTBKOGGL-SNVBAGLBSA-N 0 3 175.275 2.972 20 0 AFADHN C[C@@H](c1ccccc1)N1CC[C@@H](F)C1 146613456 344041539 /nfs/dbraw/zinc/04/15/39/344041539.db2.gz WXOITTUPYDODRW-CMPLNLGQSA-N 0 3 193.265 2.791 20 0 AFADHN N[C@@H](CCl)c1ccc(Cl)cc1 147561422 344044082 /nfs/dbraw/zinc/04/40/82/344044082.db2.gz QTZCRECGYLXREG-QMMMGPOBSA-N 0 3 190.073 2.579 20 0 AFADHN N[C@H](CCl)c1ccc(Cl)cc1 147561578 344044109 /nfs/dbraw/zinc/04/41/09/344044109.db2.gz QTZCRECGYLXREG-MRVPVSSYSA-N 0 3 190.073 2.579 20 0 AFADHN CC(C)N1CCC(C(F)(F)F)CC1 147714069 344044994 /nfs/dbraw/zinc/04/49/94/344044994.db2.gz DQRAQPSHYUXIAW-UHFFFAOYSA-N 0 3 195.228 2.669 20 0 AFADHN CC(C)N1CCc2ccsc2C1 147990274 344045980 /nfs/dbraw/zinc/04/59/80/344045980.db2.gz FUOIREBKMRKMCE-UHFFFAOYSA-N 0 3 181.304 2.515 20 0 AFADHN CCCN1CCC[C@@H](C(F)(F)F)C1 148042588 344046431 /nfs/dbraw/zinc/04/64/31/344046431.db2.gz YJOVECZYQHMNBH-MRVPVSSYSA-N 0 3 195.228 2.671 20 0 AFADHN CCCN1CCC[C@H](C(F)(F)F)C1 148042350 344046807 /nfs/dbraw/zinc/04/68/07/344046807.db2.gz YJOVECZYQHMNBH-QMMMGPOBSA-N 0 3 195.228 2.671 20 0 AFADHN Cc1ccc2c(c1)CN(C(C)C)C2 148561219 344055788 /nfs/dbraw/zinc/05/57/88/344055788.db2.gz XOGKPYZJZFFDJB-UHFFFAOYSA-N 0 3 175.275 2.719 20 0 AFADHN CN(Cc1ccco1)C(C)(C)C 149793774 344071704 /nfs/dbraw/zinc/07/17/04/344071704.db2.gz JQWWHDDCGMOTHN-UHFFFAOYSA-N 0 3 167.252 2.510 20 0 AFADHN CCc1ccc([C@@](F)(CC)CN)cc1 158341516 344124616 /nfs/dbraw/zinc/12/46/16/344124616.db2.gz XLSVHXLMCAODGS-GFCCVEGCSA-N 0 3 195.281 2.783 20 0 AFADHN CCc1ccc([C@](F)(CC)CN)cc1 158341646 344124895 /nfs/dbraw/zinc/12/48/95/344124895.db2.gz XLSVHXLMCAODGS-LBPRGKRZSA-N 0 3 195.281 2.783 20 0 AFADHN CCC[C@@](F)(CN)c1ccccc1 158360289 344124974 /nfs/dbraw/zinc/12/49/74/344124974.db2.gz AERHKWLHVDHVSU-LLVKDONJSA-N 0 3 181.254 2.610 20 0 AFADHN CCC[C@](F)(CN)c1ccccc1 158360439 344125188 /nfs/dbraw/zinc/12/51/88/344125188.db2.gz AERHKWLHVDHVSU-NSHDSACASA-N 0 3 181.254 2.610 20 0 AFADHN C[C@H]1C[C@@]1(N)c1c(F)cccc1Cl 161002752 344182885 /nfs/dbraw/zinc/18/28/85/344182885.db2.gz WQPOQBGGSBEHCC-WKEGUHRASA-N 0 3 199.656 2.673 20 0 AFADHN C[C@@H]1C[C@@]1(N)c1c(F)cccc1Cl 161002627 344182905 /nfs/dbraw/zinc/18/29/05/344182905.db2.gz WQPOQBGGSBEHCC-LDWIPMOCSA-N 0 3 199.656 2.673 20 0 AFADHN C[C@H]1C[C@]1(N)c1c(F)cccc1Cl 161002491 344182950 /nfs/dbraw/zinc/18/29/50/344182950.db2.gz WQPOQBGGSBEHCC-QUBYGPBYSA-N 0 3 199.656 2.673 20 0 AFADHN C[C@@H]1C[C@]1(N)c1c(F)cccc1Cl 161002366 344183015 /nfs/dbraw/zinc/18/30/15/344183015.db2.gz WQPOQBGGSBEHCC-LHLIQPBNSA-N 0 3 199.656 2.673 20 0 AFADHN C[C@H](NC1CC=CC1)c1nccs1 161549050 344193429 /nfs/dbraw/zinc/19/34/29/344193429.db2.gz BQYRSVFTZURGMQ-QMMMGPOBSA-N 0 3 194.303 2.512 20 0 AFADHN C[C@@H](NC1CC=CC1)c1nccs1 161549174 344193638 /nfs/dbraw/zinc/19/36/38/344193638.db2.gz BQYRSVFTZURGMQ-MRVPVSSYSA-N 0 3 194.303 2.512 20 0 AFADHN CC1CC(N[C@H](C)c2ccccn2)C1 161787094 344197824 /nfs/dbraw/zinc/19/78/24/344197824.db2.gz YDETYRLYYZKERF-HSOILSAZSA-N 0 3 190.290 2.531 20 0 AFADHN CC1CC(N[C@@H](C)c2nccs2)C1 161788744 344197968 /nfs/dbraw/zinc/19/79/68/344197968.db2.gz BZXQEOKJGWQNKF-MGURRDGZSA-N 0 3 196.319 2.592 20 0 AFADHN CC1CC(N[C@@H](C)c2ccccn2)C1 161787004 344198078 /nfs/dbraw/zinc/19/80/78/344198078.db2.gz YDETYRLYYZKERF-YVNMAJEFSA-N 0 3 190.290 2.531 20 0 AFADHN CS[C@@H](C)CN[C@@H](C)c1ccoc1 161931074 344200528 /nfs/dbraw/zinc/20/05/28/344200528.db2.gz QMSDKHBJYBTTEE-IUCAKERBSA-N 0 3 199.319 2.682 20 0 AFADHN CS[C@@H](C)CN[C@H](C)c1ccoc1 161931348 344200533 /nfs/dbraw/zinc/20/05/33/344200533.db2.gz QMSDKHBJYBTTEE-DTWKUNHWSA-N 0 3 199.319 2.682 20 0 AFADHN CS[C@H](C)CN[C@H](C)c1ccoc1 161931473 344200566 /nfs/dbraw/zinc/20/05/66/344200566.db2.gz QMSDKHBJYBTTEE-RKDXNWHRSA-N 0 3 199.319 2.682 20 0 AFADHN CS[C@@H](C)CN[C@H](C)c1ccco1 161938384 344200862 /nfs/dbraw/zinc/20/08/62/344200862.db2.gz TXCKOFGCFXHMMM-DTWKUNHWSA-N 0 3 199.319 2.682 20 0 AFADHN CS[C@H](C)CN[C@@H](C)c1ccco1 161938249 344200961 /nfs/dbraw/zinc/20/09/61/344200961.db2.gz TXCKOFGCFXHMMM-BDAKNGLRSA-N 0 3 199.319 2.682 20 0 AFADHN CS[C@H](C)CN[C@H](C)c1ccco1 161938502 344201038 /nfs/dbraw/zinc/20/10/38/344201038.db2.gz TXCKOFGCFXHMMM-RKDXNWHRSA-N 0 3 199.319 2.682 20 0 AFADHN CS[C@@H](C)CN[C@@H](C)c1ccco1 161938114 344201051 /nfs/dbraw/zinc/20/10/51/344201051.db2.gz TXCKOFGCFXHMMM-IUCAKERBSA-N 0 3 199.319 2.682 20 0 AFADHN CC[C@H](CSC)NCc1ccco1 162165897 344204359 /nfs/dbraw/zinc/20/43/59/344204359.db2.gz ZPFDOUUSMVTOND-SECBINFHSA-N 0 3 199.319 2.511 20 0 AFADHN CC[C@@H](CSC)NCc1ccco1 162165789 344204372 /nfs/dbraw/zinc/20/43/72/344204372.db2.gz ZPFDOUUSMVTOND-VIFPVBQESA-N 0 3 199.319 2.511 20 0 AFADHN Fc1cc(F)cc(CNC2CCC2)c1 162830121 344214483 /nfs/dbraw/zinc/21/44/83/344214483.db2.gz SLMBYFNZIZQEHL-UHFFFAOYSA-N 0 3 197.228 2.607 20 0 AFADHN CCSCCCNCc1ccco1 163816182 344230752 /nfs/dbraw/zinc/23/07/52/344230752.db2.gz USAVMYQCCSPDPY-UHFFFAOYSA-N 0 3 199.319 2.512 20 0 AFADHN Cc1cnc(CNCC(C)(C)C)s1 164839151 344253586 /nfs/dbraw/zinc/25/35/86/344253586.db2.gz VCFSOYHSNDJIAX-UHFFFAOYSA-N 0 3 198.335 2.587 20 0 AFADHN CCCN1CCC(C(F)(F)F)CC1 165249417 344260359 /nfs/dbraw/zinc/26/03/59/344260359.db2.gz LELLYUTXCORXBY-UHFFFAOYSA-N 0 3 195.228 2.671 20 0 AFADHN Cc1ccoc1CN[C@H]1C=CCCC1 165893000 344271908 /nfs/dbraw/zinc/27/19/08/344271908.db2.gz ICMXPSSURRHESZ-NSHDSACASA-N 0 3 191.274 2.786 20 0 AFADHN Cc1ccoc1CN[C@@H]1C=CCCC1 165893118 344271984 /nfs/dbraw/zinc/27/19/84/344271984.db2.gz ICMXPSSURRHESZ-LLVKDONJSA-N 0 3 191.274 2.786 20 0 AFADHN C1=C[C@H](NCc2cccs2)CCC1 165895110 344272110 /nfs/dbraw/zinc/27/21/10/344272110.db2.gz UAXWTJBZMRTXCV-JTQLQIEISA-N 0 3 193.315 2.946 20 0 AFADHN C1=C[C@@H](NCc2cccs2)CCC1 165895225 344272129 /nfs/dbraw/zinc/27/21/29/344272129.db2.gz UAXWTJBZMRTXCV-SNVBAGLBSA-N 0 3 193.315 2.946 20 0 AFADHN C1=C[C@@H](NCc2ccsc2)CCC1 165899837 344272321 /nfs/dbraw/zinc/27/23/21/344272321.db2.gz LDWUAOHFIROXBJ-LLVKDONJSA-N 0 3 193.315 2.946 20 0 AFADHN C1=C[C@H](NCc2ccsc2)CCC1 165899706 344272333 /nfs/dbraw/zinc/27/23/33/344272333.db2.gz LDWUAOHFIROXBJ-NSHDSACASA-N 0 3 193.315 2.946 20 0 AFADHN Cc1ccc(CN[C@H]2C=CCCC2)o1 165898127 344272402 /nfs/dbraw/zinc/27/24/02/344272402.db2.gz JWQFODPHHXHBCL-NSHDSACASA-N 0 3 191.274 2.786 20 0 AFADHN Cc1ccc(CN[C@@H]2C=CCCC2)o1 165898214 344272507 /nfs/dbraw/zinc/27/25/07/344272507.db2.gz JWQFODPHHXHBCL-LLVKDONJSA-N 0 3 191.274 2.786 20 0 AFADHN CCN1CCC(c2ccsc2)CC1 166284045 344277806 /nfs/dbraw/zinc/27/78/06/344277806.db2.gz VHLJAKKZSPUYBG-UHFFFAOYSA-N 0 3 195.331 2.947 20 0 AFADHN Cc1ccc(CN2CCCC2)cc1F 166559729 344284672 /nfs/dbraw/zinc/28/46/72/344284672.db2.gz OYPPVXOUDXSWIK-UHFFFAOYSA-N 0 3 193.265 2.730 20 0 AFADHN CNC[C@@H](F)CC1CCCCC1 168784083 344337151 /nfs/dbraw/zinc/33/71/51/344337151.db2.gz OFUXSVCOYYZUJN-JTQLQIEISA-N 0 3 173.275 2.514 20 0 AFADHN CNC[C@H](F)CC1CCCCC1 168784184 344337205 /nfs/dbraw/zinc/33/72/05/344337205.db2.gz OFUXSVCOYYZUJN-SNVBAGLBSA-N 0 3 173.275 2.514 20 0 AFADHN CC(C)N(C)Cc1ccsc1 200279332 344362858 /nfs/dbraw/zinc/36/28/58/344362858.db2.gz YQMWJPJIQTYBBR-UHFFFAOYSA-N 0 3 169.293 2.588 20 0 AFADHN CC1CCN(Cc2ccco2)CC1 201078505 344364093 /nfs/dbraw/zinc/36/40/93/344364093.db2.gz GZCXQPZLXQCXHV-UHFFFAOYSA-N 0 3 179.263 2.512 20 0 AFADHN Cc1ccoc1CN1CCCCC1 201076493 344364168 /nfs/dbraw/zinc/36/41/68/344364168.db2.gz UCTLHNNYNRVAAS-UHFFFAOYSA-N 0 3 179.263 2.574 20 0 AFADHN CN(Cc1ccccn1)CC(C)(C)C 202016233 344366360 /nfs/dbraw/zinc/36/63/60/344366360.db2.gz NACNHVOVGFZHKU-UHFFFAOYSA-N 0 3 192.306 2.560 20 0 AFADHN CN(Cc1ccncc1)CC(C)(C)C 202016789 344366506 /nfs/dbraw/zinc/36/65/06/344366506.db2.gz XLHKTSSQKUYXFB-UHFFFAOYSA-N 0 3 192.306 2.560 20 0 AFADHN CC(C)N1CCC[C@@H](C(F)(F)F)C1 203756917 344368391 /nfs/dbraw/zinc/36/83/91/344368391.db2.gz GFOSJKPUSWRXIA-MRVPVSSYSA-N 0 3 195.228 2.669 20 0 AFADHN CC(C)N1CCC[C@H](C(F)(F)F)C1 203756908 344368445 /nfs/dbraw/zinc/36/84/45/344368445.db2.gz GFOSJKPUSWRXIA-QMMMGPOBSA-N 0 3 195.228 2.669 20 0 AFADHN C[C@H](c1ccccc1)N1CC[C@H](F)C1 210062345 344376856 /nfs/dbraw/zinc/37/68/56/344376856.db2.gz WXOITTUPYDODRW-PWSUYJOCSA-N 0 3 193.265 2.791 20 0 AFADHN C[C@@H](c1ccccc1)N1CC[C@H](F)C1 210062305 344377096 /nfs/dbraw/zinc/37/70/96/344377096.db2.gz WXOITTUPYDODRW-JQWIXIFHSA-N 0 3 193.265 2.791 20 0 AFADHN C[C@@H]1CCN(Cc2ccc(F)cc2)C1 212402300 344379903 /nfs/dbraw/zinc/37/99/03/344379903.db2.gz HIMUNMGFHFRPSN-SNVBAGLBSA-N 0 3 193.265 2.668 20 0 AFADHN CCC[C@@H](C)N(C)Cc1ccccn1 213110936 344380782 /nfs/dbraw/zinc/38/07/82/344380782.db2.gz SVSFWUFDUCGLLI-LLVKDONJSA-N 0 3 192.306 2.702 20 0 AFADHN CCCCN(C)Cc1cccc(C)n1 219942214 344429243 /nfs/dbraw/zinc/42/92/43/344429243.db2.gz RFDSDAXROJTVJK-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN Cc1cccc(SCCN(C)C)c1 222015212 344448424 /nfs/dbraw/zinc/44/84/24/344448424.db2.gz ZFLVMZFKJCZQIG-UHFFFAOYSA-N 0 3 195.331 2.649 20 0 AFADHN Cc1ccc(CNC[C@H]2CC2(C)C)o1 226255072 344496474 /nfs/dbraw/zinc/49/64/74/344496474.db2.gz AIBQLYAXKUOTOW-SNVBAGLBSA-N 0 3 193.290 2.724 20 0 AFADHN Cc1ccc(CNC[C@@H]2CC2(C)C)o1 226255064 344496665 /nfs/dbraw/zinc/49/66/65/344496665.db2.gz AIBQLYAXKUOTOW-JTQLQIEISA-N 0 3 193.290 2.724 20 0 AFADHN CC(C)CNC(C)(C)c1nccs1 227633829 344540959 /nfs/dbraw/zinc/54/09/59/344540959.db2.gz JNACAAWZMXCNKN-UHFFFAOYSA-N 0 3 198.335 2.624 20 0 AFADHN CCCCNC(C)(C)c1nccs1 227633719 344541065 /nfs/dbraw/zinc/54/10/65/344541065.db2.gz MEBWZOSFECGDQL-UHFFFAOYSA-N 0 3 198.335 2.768 20 0 AFADHN CCC(C)(C)CNCc1cscn1 230650445 344638099 /nfs/dbraw/zinc/63/80/99/344638099.db2.gz JFUVYZRIIKFJQK-UHFFFAOYSA-N 0 3 198.335 2.669 20 0 AFADHN CCC(C)(C)CNCc1ccccn1 230634480 344638155 /nfs/dbraw/zinc/63/81/55/344638155.db2.gz JHXIHICGBNCDPT-UHFFFAOYSA-N 0 3 192.306 2.607 20 0 AFADHN Cc1ccoc1CNC[C@@H]1CC1(C)C 230660037 344638483 /nfs/dbraw/zinc/63/84/83/344638483.db2.gz FBUQNMBEQLXGCU-JTQLQIEISA-N 0 3 193.290 2.724 20 0 AFADHN Cc1ccoc1CNC[C@H]1CC1(C)C 230660042 344638661 /nfs/dbraw/zinc/63/86/61/344638661.db2.gz FBUQNMBEQLXGCU-SNVBAGLBSA-N 0 3 193.290 2.724 20 0 AFADHN Cc1ccoc1CNC(C)(C)C1CC1 230673929 344639081 /nfs/dbraw/zinc/63/90/81/344639081.db2.gz KTSORXLRZJCSDQ-UHFFFAOYSA-N 0 3 193.290 2.866 20 0 AFADHN CC(C)(NCc1ccco1)C1CC1 230673653 344639248 /nfs/dbraw/zinc/63/92/48/344639248.db2.gz VRQOAVPUTFQHLZ-UHFFFAOYSA-N 0 3 179.263 2.558 20 0 AFADHN C[C@H]1CCCCN1CCC(F)(F)F 231429997 344653411 /nfs/dbraw/zinc/65/34/11/344653411.db2.gz ZFTIWKJFLLCAFD-QMMMGPOBSA-N 0 3 195.228 2.813 20 0 AFADHN C[C@@H]1CCCCN1CCC(F)(F)F 231429968 344653479 /nfs/dbraw/zinc/65/34/79/344653479.db2.gz ZFTIWKJFLLCAFD-MRVPVSSYSA-N 0 3 195.228 2.813 20 0 AFADHN Cc1ccc([C@@H](N)CF)cc1Cl 238478696 344808343 /nfs/dbraw/zinc/80/83/43/344808343.db2.gz IAZMTOPTFCJBAS-VIFPVBQESA-N 0 3 187.645 2.618 20 0 AFADHN Cc1cc(Cl)ccc1[C@@H](N)CF 238512455 344810105 /nfs/dbraw/zinc/81/01/05/344810105.db2.gz HNEOILVMJCIHNH-VIFPVBQESA-N 0 3 187.645 2.618 20 0 AFADHN CCN(C)Cc1ccc(Cl)s1 259079618 344947507 /nfs/dbraw/zinc/94/75/07/344947507.db2.gz MNHBBKGSRUJPDV-UHFFFAOYSA-N 0 3 189.711 2.853 20 0 AFADHN Cc1cc([C@@H](C)NC2CCCC2)no1 306150957 345040367 /nfs/dbraw/zinc/04/03/67/345040367.db2.gz CRKPGULHXPEKCU-SECBINFHSA-N 0 3 194.278 2.576 20 0 AFADHN Cc1cc([C@H](C)NC2CCCC2)no1 306150958 345040375 /nfs/dbraw/zinc/04/03/75/345040375.db2.gz CRKPGULHXPEKCU-VIFPVBQESA-N 0 3 194.278 2.576 20 0 AFADHN Cc1cccc2c1CC[C@H]2NCCF 306157521 345047870 /nfs/dbraw/zinc/04/78/70/345047870.db2.gz CEVMBXLNBBWZRJ-GFCCVEGCSA-N 0 3 193.265 2.541 20 0 AFADHN Cc1cccc2c1CC[C@@H]2NCCF 306157523 345048027 /nfs/dbraw/zinc/04/80/27/345048027.db2.gz CEVMBXLNBBWZRJ-LBPRGKRZSA-N 0 3 193.265 2.541 20 0 AFADHN CC1(C)CC[C@H]1NCc1ccoc1 306202962 345091833 /nfs/dbraw/zinc/09/18/33/345091833.db2.gz QYTIWPGQVNRGMA-SNVBAGLBSA-N 0 3 179.263 2.558 20 0 AFADHN CC1(C)CC[C@@H]1NCc1ccoc1 306202960 345091965 /nfs/dbraw/zinc/09/19/65/345091965.db2.gz QYTIWPGQVNRGMA-JTQLQIEISA-N 0 3 179.263 2.558 20 0 AFADHN CC1=CC[C@@H](NCc2ccco2)CC1 306203483 345092501 /nfs/dbraw/zinc/09/25/01/345092501.db2.gz COAJFUZQQCVNHC-LLVKDONJSA-N 0 3 191.274 2.868 20 0 AFADHN CC1=CC[C@H](NCc2ccco2)CC1 306203484 345092689 /nfs/dbraw/zinc/09/26/89/345092689.db2.gz COAJFUZQQCVNHC-NSHDSACASA-N 0 3 191.274 2.868 20 0 AFADHN C[C@H]1C[C@H](NCCF)c2ccccc21 306236475 345129532 /nfs/dbraw/zinc/12/95/32/345129532.db2.gz HFDSHZLSHQVXKZ-CABZTGNLSA-N 0 3 193.265 2.794 20 0 AFADHN C[C@H](CF)N[C@@H]1CCc2ccccc21 306377177 345243930 /nfs/dbraw/zinc/24/39/30/345243930.db2.gz NNAXPFXLUZFGDJ-BXKDBHETSA-N 0 3 193.265 2.622 20 0 AFADHN C[C@H](CF)N[C@H]1CCc2ccccc21 306377182 345244016 /nfs/dbraw/zinc/24/40/16/345244016.db2.gz NNAXPFXLUZFGDJ-SKDRFNHKSA-N 0 3 193.265 2.622 20 0 AFADHN Cc1ccsc1CN(C)C1CC1 306380256 345246220 /nfs/dbraw/zinc/24/62/20/345246220.db2.gz ALSDSSBLUNQIGG-UHFFFAOYSA-N 0 3 181.304 2.651 20 0 AFADHN CC1(C)CCN(Cc2ccco2)C1 306448566 345308588 /nfs/dbraw/zinc/30/85/88/345308588.db2.gz WYXUYPBQHUDTLW-UHFFFAOYSA-N 0 3 179.263 2.512 20 0 AFADHN Cc1ccoc1CN[C@H]1CC[C@H](F)C1 306510585 345381855 /nfs/dbraw/zinc/38/18/55/345381855.db2.gz LDHXDSIZDKQBAY-UWVGGRQHSA-N 0 3 197.253 2.568 20 0 AFADHN Cc1ccoc1CN[C@H]1CC[C@@H](F)C1 306510587 345381949 /nfs/dbraw/zinc/38/19/49/345381949.db2.gz LDHXDSIZDKQBAY-ZJUUUORDSA-N 0 3 197.253 2.568 20 0 AFADHN Cc1ccoc1CN[C@@H]1CC[C@H](F)C1 306510586 345382096 /nfs/dbraw/zinc/38/20/96/345382096.db2.gz LDHXDSIZDKQBAY-VHSXEESVSA-N 0 3 197.253 2.568 20 0 AFADHN Cc1ccoc1CN[C@@H]1CC[C@@H](F)C1 306510463 345382114 /nfs/dbraw/zinc/38/21/14/345382114.db2.gz LDHXDSIZDKQBAY-NXEZZACHSA-N 0 3 197.253 2.568 20 0 AFADHN Cc1ccc(CN(C)C2CC2)s1 306510862 345382990 /nfs/dbraw/zinc/38/29/90/345382990.db2.gz LXENUEUWVUOVGF-UHFFFAOYSA-N 0 3 181.304 2.651 20 0 AFADHN CC1(C)CC[C@H]1NCc1ccco1 306521098 345392495 /nfs/dbraw/zinc/39/24/95/345392495.db2.gz FOSCTPRKAKVYJH-SNVBAGLBSA-N 0 3 179.263 2.558 20 0 AFADHN CC1(C)CC[C@@H]1NCc1ccco1 306521094 345392652 /nfs/dbraw/zinc/39/26/52/345392652.db2.gz FOSCTPRKAKVYJH-JTQLQIEISA-N 0 3 179.263 2.558 20 0 AFADHN Cc1ccc(CN2CCC[C@H]2C)o1 306529801 345401455 /nfs/dbraw/zinc/40/14/55/345401455.db2.gz GGWQPHIYPPWQHJ-SECBINFHSA-N 0 3 179.263 2.572 20 0 AFADHN Cc1ccc(CN2CCC[C@@H]2C)o1 306529802 345401507 /nfs/dbraw/zinc/40/15/07/345401507.db2.gz GGWQPHIYPPWQHJ-VIFPVBQESA-N 0 3 179.263 2.572 20 0 AFADHN NCc1csc(C2CCCC2)c1 306535799 345408313 /nfs/dbraw/zinc/40/83/13/345408313.db2.gz GPLBRPPOMZNCRV-UHFFFAOYSA-N 0 3 181.304 2.864 20 0 AFADHN CC1=CCCN(CCC(F)(F)F)C1 306536395 345409484 /nfs/dbraw/zinc/40/94/84/345409484.db2.gz KNOWTAKPFSLIQM-UHFFFAOYSA-N 0 3 193.212 2.591 20 0 AFADHN Cc1cc(C)nc(NCC2(C)CC2)c1 306548866 345423722 /nfs/dbraw/zinc/42/37/22/345423722.db2.gz XZQREVHEMWTYKS-UHFFFAOYSA-N 0 3 190.290 2.910 20 0 AFADHN C[C@H]1CN([C@@H]2C=CCCC2)CCS1 306549419 345423931 /nfs/dbraw/zinc/42/39/31/345423931.db2.gz YLSYBTPMSIZAKT-WDEREUQCSA-N 0 3 197.347 2.532 20 0 AFADHN C[C@H]1CN([C@H]2C=CCCC2)CCS1 306549418 345424184 /nfs/dbraw/zinc/42/41/84/345424184.db2.gz YLSYBTPMSIZAKT-QWRGUYRKSA-N 0 3 197.347 2.532 20 0 AFADHN CC1(C)CC(NCc2ccoc2)C1 306554517 345430099 /nfs/dbraw/zinc/43/00/99/345430099.db2.gz FPFILYYMYFJLEM-UHFFFAOYSA-N 0 3 179.263 2.558 20 0 AFADHN CC1CC2(C1)NCCc1sccc12 306583412 345460324 /nfs/dbraw/zinc/46/03/24/345460324.db2.gz QWGWZZWTGIZLEX-UHFFFAOYSA-N 0 3 193.315 2.519 20 0 AFADHN CC1(C)CCN(CCC(F)(F)F)C1 306651578 345518549 /nfs/dbraw/zinc/51/85/49/345518549.db2.gz GFKQLDXMYSAGCQ-UHFFFAOYSA-N 0 3 195.228 2.671 20 0 AFADHN C[C@@]1(F)CCN([C@H]2C=CCCC2)C1 306688662 345548086 /nfs/dbraw/zinc/54/80/86/345548086.db2.gz NCQOMPBDTJEDCA-WDEREUQCSA-N 0 3 183.270 2.529 20 0 AFADHN C[C@]1(F)CCN([C@@H]2C=CCCC2)C1 306688660 345548144 /nfs/dbraw/zinc/54/81/44/345548144.db2.gz NCQOMPBDTJEDCA-MNOVXSKESA-N 0 3 183.270 2.529 20 0 AFADHN C[C@@]1(F)CCN([C@@H]2C=CCCC2)C1 306688659 345548196 /nfs/dbraw/zinc/54/81/96/345548196.db2.gz NCQOMPBDTJEDCA-GHMZBOCLSA-N 0 3 183.270 2.529 20 0 AFADHN C[C@]1(F)CCN([C@H]2C=CCCC2)C1 306688661 345548335 /nfs/dbraw/zinc/54/83/35/345548335.db2.gz NCQOMPBDTJEDCA-QWRGUYRKSA-N 0 3 183.270 2.529 20 0 AFADHN FC(F)(F)CCN1C2CCC1CC2 306720370 345571512 /nfs/dbraw/zinc/57/15/12/345571512.db2.gz ZMWNDOQYRFLSGV-UHFFFAOYSA-N 0 3 193.212 2.566 20 0 AFADHN CC(C)=CCN1CCSC(C)(C)C1 306768321 345602407 /nfs/dbraw/zinc/60/24/07/345602407.db2.gz YTCSYYGTKMBBOW-UHFFFAOYSA-N 0 3 199.363 2.780 20 0 AFADHN CCCN1CCc2ccsc2C1 306780824 345609786 /nfs/dbraw/zinc/60/97/86/345609786.db2.gz DLEVCQSOOXVPRT-UHFFFAOYSA-N 0 3 181.304 2.516 20 0 AFADHN CC[C@H]1CCN(Cc2ccco2)C1 306784385 345611834 /nfs/dbraw/zinc/61/18/34/345611834.db2.gz HUJFKHOYJHBZGI-JTQLQIEISA-N 0 3 179.263 2.512 20 0 AFADHN Cc1ccc(CN[C@@H]2CC[C@@H](F)C2)o1 306800025 345622731 /nfs/dbraw/zinc/62/27/31/345622731.db2.gz NPZSYHLHVPKTNA-NXEZZACHSA-N 0 3 197.253 2.568 20 0 AFADHN Cc1ccc(CN[C@@H]2CC[C@H](F)C2)o1 306800027 345622818 /nfs/dbraw/zinc/62/28/18/345622818.db2.gz NPZSYHLHVPKTNA-VHSXEESVSA-N 0 3 197.253 2.568 20 0 AFADHN Cc1ccc(CN[C@H]2CC[C@H](F)C2)o1 306800026 345622839 /nfs/dbraw/zinc/62/28/39/345622839.db2.gz NPZSYHLHVPKTNA-UWVGGRQHSA-N 0 3 197.253 2.568 20 0 AFADHN Cc1ccc(CN[C@H]2CC[C@@H](F)C2)o1 306800028 345622855 /nfs/dbraw/zinc/62/28/55/345622855.db2.gz NPZSYHLHVPKTNA-ZJUUUORDSA-N 0 3 197.253 2.568 20 0 AFADHN CN(Cc1ccc(Cl)o1)C1CCC1 306802873 345624642 /nfs/dbraw/zinc/62/46/42/345624642.db2.gz UQDHWJSOFHCLDH-UHFFFAOYSA-N 0 3 199.681 2.917 20 0 AFADHN C[C@@H]1CC[C@@]12NCCc1sccc12 306814192 345631690 /nfs/dbraw/zinc/63/16/90/345631690.db2.gz BTEBMRRVQXJCBE-LDYMZIIASA-N 0 3 193.315 2.519 20 0 AFADHN C[C@H]1CC[C@@]12NCCc1sccc12 306814185 345631980 /nfs/dbraw/zinc/63/19/80/345631980.db2.gz BTEBMRRVQXJCBE-GZMMTYOYSA-N 0 3 193.315 2.519 20 0 AFADHN Cc1cc(Cl)nc(CNC(C)C)c1 306825655 345639960 /nfs/dbraw/zinc/63/99/60/345639960.db2.gz XSFDYEMQYCLNRZ-UHFFFAOYSA-N 0 3 198.697 2.541 20 0 AFADHN CN(Cc1cccs1)C1CCC1 306847478 345654854 /nfs/dbraw/zinc/65/48/54/345654854.db2.gz LGLKGKYGUOFENJ-UHFFFAOYSA-N 0 3 181.304 2.732 20 0 AFADHN CC(C)C[C@@H]([NH3+])c1ccc([O-])c(F)c1 306867501 345668406 /nfs/dbraw/zinc/66/84/06/345668406.db2.gz PLGBXOCIBSLSRL-SNVBAGLBSA-N 0 3 197.253 2.577 20 0 AFADHN CC(C)C[C@H]([NH3+])c1ccc([O-])c(F)c1 306867500 345668569 /nfs/dbraw/zinc/66/85/69/345668569.db2.gz PLGBXOCIBSLSRL-JTQLQIEISA-N 0 3 197.253 2.577 20 0 AFADHN FC(F)CN1CCC2(CCC2)CC1 306874520 345672310 /nfs/dbraw/zinc/67/23/10/345672310.db2.gz GGGKWESFVHJNDB-UHFFFAOYSA-N 0 3 189.249 2.518 20 0 AFADHN C[C@]1(NCc2ccco2)CC=CCC1 306974500 345727829 /nfs/dbraw/zinc/72/78/29/345727829.db2.gz WVLPIPTYVDRILY-LBPRGKRZSA-N 0 3 191.274 2.868 20 0 AFADHN C[C@@]1(NCc2ccco2)CC=CCC1 306974498 345727856 /nfs/dbraw/zinc/72/78/56/345727856.db2.gz WVLPIPTYVDRILY-GFCCVEGCSA-N 0 3 191.274 2.868 20 0 AFADHN CC1=CC[C@@H](NCc2ccoc2)CC1 306975655 345728820 /nfs/dbraw/zinc/72/88/20/345728820.db2.gz ZXNKRMPYVGBJFB-GFCCVEGCSA-N 0 3 191.274 2.868 20 0 AFADHN CC1=CC[C@H](NCc2ccoc2)CC1 306975656 345728859 /nfs/dbraw/zinc/72/88/59/345728859.db2.gz ZXNKRMPYVGBJFB-LBPRGKRZSA-N 0 3 191.274 2.868 20 0 AFADHN CC(C)NCc1ccsc1Cl 307149028 345842284 /nfs/dbraw/zinc/84/22/84/345842284.db2.gz QNHXGHQERHZFQS-UHFFFAOYSA-N 0 3 189.711 2.900 20 0 AFADHN Clc1cscc1CNC1CC1 307169701 345862185 /nfs/dbraw/zinc/86/21/85/345862185.db2.gz YUKLCQOVMWSRGD-UHFFFAOYSA-N 0 3 187.695 2.654 20 0 AFADHN CC(C)[C@@H]1CCN1Cc1ccco1 307222085 345901479 /nfs/dbraw/zinc/90/14/79/345901479.db2.gz QPHPRKFMBBYTOV-NSHDSACASA-N 0 3 179.263 2.510 20 0 AFADHN CC(C)=CCN1CCS[C@H](C)[C@H]1C 307324388 345971504 /nfs/dbraw/zinc/97/15/04/345971504.db2.gz RYBFWJBUTYAASN-GHMZBOCLSA-N 0 3 199.363 2.778 20 0 AFADHN CC(C)=CCN1CCS[C@@H](C)[C@@H]1C 307324390 345971578 /nfs/dbraw/zinc/97/15/78/345971578.db2.gz RYBFWJBUTYAASN-QWRGUYRKSA-N 0 3 199.363 2.778 20 0 AFADHN CC(C)=CCN1CCS[C@@H](C)[C@H]1C 307324389 345971591 /nfs/dbraw/zinc/97/15/91/345971591.db2.gz RYBFWJBUTYAASN-MNOVXSKESA-N 0 3 199.363 2.778 20 0 AFADHN CC(C)=CCN1CCS[C@H](C)[C@@H]1C 307324393 345971742 /nfs/dbraw/zinc/97/17/42/345971742.db2.gz RYBFWJBUTYAASN-WDEREUQCSA-N 0 3 199.363 2.778 20 0 AFADHN Cc1ccc2c(c1)[C@@H](NCCF)CC2 307350857 345987654 /nfs/dbraw/zinc/98/76/54/345987654.db2.gz ZKMGJTQCVROAED-LBPRGKRZSA-N 0 3 193.265 2.541 20 0 AFADHN Cc1ccc2c(c1)[C@H](NCCF)CC2 307350856 345987796 /nfs/dbraw/zinc/98/77/96/345987796.db2.gz ZKMGJTQCVROAED-GFCCVEGCSA-N 0 3 193.265 2.541 20 0 AFADHN Cc1cc(F)ccc1CN1CCCC1 307374357 346002550 /nfs/dbraw/zinc/00/25/50/346002550.db2.gz XTTNOAWGOOANKS-UHFFFAOYSA-N 0 3 193.265 2.730 20 0 AFADHN Cc1cc(CN2CCCC2)cs1 307463325 346055626 /nfs/dbraw/zinc/05/56/26/346055626.db2.gz FOYXTPXOCNJTKN-UHFFFAOYSA-N 0 3 181.304 2.652 20 0 AFADHN CC(C)=CCN1C[C@H](C)S[C@H](C)C1 307517840 346087242 /nfs/dbraw/zinc/08/72/42/346087242.db2.gz JVRYFNKGKAWJFB-PHIMTYICSA-N 0 3 199.363 2.778 20 0 AFADHN CC(C)=CCN1C[C@H](C)S[C@@H](C)C1 307517851 346087376 /nfs/dbraw/zinc/08/73/76/346087376.db2.gz JVRYFNKGKAWJFB-QWRGUYRKSA-N 0 3 199.363 2.778 20 0 AFADHN CC(C)=CCN1C[C@@H](C)S[C@H](C)C1 307517826 346087471 /nfs/dbraw/zinc/08/74/71/346087471.db2.gz JVRYFNKGKAWJFB-GHMZBOCLSA-N 0 3 199.363 2.778 20 0 AFADHN CC[C@H]1CCCN1Cc1cncs1 307575303 346123120 /nfs/dbraw/zinc/12/31/20/346123120.db2.gz IKMIWFWBEQBRAV-VIFPVBQESA-N 0 3 196.319 2.518 20 0 AFADHN CC[C@@H]1CCCN1Cc1cncs1 307575297 346123233 /nfs/dbraw/zinc/12/32/33/346123233.db2.gz IKMIWFWBEQBRAV-SECBINFHSA-N 0 3 196.319 2.518 20 0 AFADHN Cc1cc(CN(C)C2CC2)c(C)s1 307690251 346185627 /nfs/dbraw/zinc/18/56/27/346185627.db2.gz OMNOTUIJCWHZSK-UHFFFAOYSA-N 0 3 195.331 2.959 20 0 AFADHN Cc1ccc(CN(C)C2CCC2)o1 307693735 346187679 /nfs/dbraw/zinc/18/76/79/346187679.db2.gz UUXBVQSSZOREKK-UHFFFAOYSA-N 0 3 179.263 2.572 20 0 AFADHN C[C@H]1CCCCN1Cc1ccco1 307698068 346190788 /nfs/dbraw/zinc/19/07/88/346190788.db2.gz MNFXZYKVKBBMBT-JTQLQIEISA-N 0 3 179.263 2.654 20 0 AFADHN CN(Cc1ccc(Cl)cc1)C1CC1 307714768 346199156 /nfs/dbraw/zinc/19/91/56/346199156.db2.gz DTQPBBPRTLIDJW-UHFFFAOYSA-N 0 3 195.693 2.934 20 0 AFADHN CC(C)N(C)Cc1ccc(Cl)o1 307721973 346202318 /nfs/dbraw/zinc/20/23/18/346202318.db2.gz RKBRTOHROAHMNM-UHFFFAOYSA-N 0 3 187.670 2.773 20 0 AFADHN CC[C@H](C)N1CCc2sccc2C1 307729643 346207360 /nfs/dbraw/zinc/20/73/60/346207360.db2.gz GDURGPQEBQSPFM-VIFPVBQESA-N 0 3 195.331 2.905 20 0 AFADHN CC[C@@H](C)N1CCc2sccc2C1 307729642 346207711 /nfs/dbraw/zinc/20/77/11/346207711.db2.gz GDURGPQEBQSPFM-SECBINFHSA-N 0 3 195.331 2.905 20 0 AFADHN Cc1cc([C@@H](C)NC2CC2)oc1C 307745225 346215310 /nfs/dbraw/zinc/21/53/10/346215310.db2.gz RDOACXYDSGEEEB-MRVPVSSYSA-N 0 3 179.263 2.709 20 0 AFADHN CC1(C)CC(NCc2ccco2)C1 307744887 346215346 /nfs/dbraw/zinc/21/53/46/346215346.db2.gz PXFQFJATGLTXPQ-UHFFFAOYSA-N 0 3 179.263 2.558 20 0 AFADHN Cc1cc([C@H](C)NC2CC2)oc1C 307745226 346215403 /nfs/dbraw/zinc/21/54/03/346215403.db2.gz RDOACXYDSGEEEB-QMMMGPOBSA-N 0 3 179.263 2.709 20 0 AFADHN C[C@H](NC1CC1)c1ccc(Cl)cn1 307747703 346217839 /nfs/dbraw/zinc/21/78/39/346217839.db2.gz ZLZPXBXWIMUEJE-ZETCQYMHSA-N 0 3 196.681 2.548 20 0 AFADHN CC(C)(C)CCN1CCC=C(F)C1 307761195 346227732 /nfs/dbraw/zinc/22/77/32/346227732.db2.gz YMCRQLQCMABKKH-UHFFFAOYSA-N 0 3 185.286 2.982 20 0 AFADHN CC(C)CCCSCCN(C)C 307959507 346241923 /nfs/dbraw/zinc/24/19/23/346241923.db2.gz JFELFPIDQYZSGF-UHFFFAOYSA-N 0 3 189.368 2.717 20 0 AFADHN CCCCN(C)Cc1ccoc1 307995327 346248476 /nfs/dbraw/zinc/24/84/76/346248476.db2.gz VZNXVDAWIGNYER-UHFFFAOYSA-N 0 3 167.252 2.512 20 0 AFADHN CC[C@@H](C)N(C)Cc1ccco1 308009373 346249879 /nfs/dbraw/zinc/24/98/79/346249879.db2.gz FKSVBMYXHBGCLH-SECBINFHSA-N 0 3 167.252 2.510 20 0 AFADHN CC[C@H](C)N(C)Cc1ccco1 308009377 346250369 /nfs/dbraw/zinc/25/03/69/346250369.db2.gz FKSVBMYXHBGCLH-VIFPVBQESA-N 0 3 167.252 2.510 20 0 AFADHN CC/C=C\CCSCCN(C)C 308047445 346252169 /nfs/dbraw/zinc/25/21/69/346252169.db2.gz QDAPHTJYMIFZSV-WAYWQWQTSA-N 0 3 187.352 2.638 20 0 AFADHN CC/C=C/CCSCCN(C)C 308047441 346252459 /nfs/dbraw/zinc/25/24/59/346252459.db2.gz QDAPHTJYMIFZSV-AATRIKPKSA-N 0 3 187.352 2.638 20 0 AFADHN CC(C)C(C)(C)NCc1cscn1 308133706 346258846 /nfs/dbraw/zinc/25/88/46/346258846.db2.gz CTHZZNMYCKOVMB-UHFFFAOYSA-N 0 3 198.335 2.667 20 0 AFADHN CC(C)C(C)(C)NCc1nccs1 308164901 346264443 /nfs/dbraw/zinc/26/44/43/346264443.db2.gz XDIFZLHYTSLNQO-UHFFFAOYSA-N 0 3 198.335 2.667 20 0 AFADHN CN(C)CCSC1CCCCC1 308174120 346266553 /nfs/dbraw/zinc/26/65/53/346266553.db2.gz YGERHFBYCCQMIB-UHFFFAOYSA-N 0 3 187.352 2.614 20 0 AFADHN CCCCCN(C)Cc1ccoc1 308245197 346274687 /nfs/dbraw/zinc/27/46/87/346274687.db2.gz VAZWHWJLSWMWBR-UHFFFAOYSA-N 0 3 181.279 2.902 20 0 AFADHN CN(CCC(F)(F)F)CC(C)(C)C 308254943 346277501 /nfs/dbraw/zinc/27/75/01/346277501.db2.gz ILDCXQQDUPYRTA-UHFFFAOYSA-N 0 3 197.244 2.917 20 0 AFADHN CCC[C@H](C)N(C)Cc1ccco1 308303929 346284674 /nfs/dbraw/zinc/28/46/74/346284674.db2.gz NJIXSQYJRMXYCU-JTQLQIEISA-N 0 3 181.279 2.900 20 0 AFADHN CCC[C@@H](C)N(C)Cc1ccco1 308303931 346284977 /nfs/dbraw/zinc/28/49/77/346284977.db2.gz NJIXSQYJRMXYCU-SNVBAGLBSA-N 0 3 181.279 2.900 20 0 AFADHN CN(Cc1ccsc1)CC1CCC1 308424437 346301105 /nfs/dbraw/zinc/30/11/05/346301105.db2.gz QEDSXKKYKYTNRI-UHFFFAOYSA-N 0 3 195.331 2.980 20 0 AFADHN CCN(CC)Cc1ccc(F)c(F)c1 308452698 346304336 /nfs/dbraw/zinc/30/43/36/346304336.db2.gz CDLQSWNLEFPYDC-UHFFFAOYSA-N 0 3 199.244 2.807 20 0 AFADHN CN(Cc1ccc(F)c(F)c1)C1CC1 334445573 346347396 /nfs/dbraw/zinc/34/73/96/346347396.db2.gz GFBXUFWBLDMYIT-UHFFFAOYSA-N 0 3 197.228 2.559 20 0 AFADHN Cc1ccc(CN2CCC23CCC3)o1 334441071 346347877 /nfs/dbraw/zinc/34/78/77/346347877.db2.gz YXEISHSDOSDRPC-UHFFFAOYSA-N 0 3 191.274 2.716 20 0 AFADHN CCC1CN(Cc2ccsc2)C1 334522379 346351194 /nfs/dbraw/zinc/35/11/94/346351194.db2.gz NTLGMHULCRGTJL-UHFFFAOYSA-N 0 3 181.304 2.590 20 0 AFADHN CCC1CN(Cc2cccs2)C1 334522599 346351410 /nfs/dbraw/zinc/35/14/10/346351410.db2.gz OMLJEWJGBLMDCQ-UHFFFAOYSA-N 0 3 181.304 2.590 20 0 AFADHN C[C@H](NC1CC(C)(F)C1)c1ccco1 334521753 346351569 /nfs/dbraw/zinc/35/15/69/346351569.db2.gz WVOJILQPGRJHOU-SILCLGDVSA-N 0 3 197.253 2.821 20 0 AFADHN CC(C)N1CCC=C(c2ccco2)C1 334962326 346371683 /nfs/dbraw/zinc/37/16/83/346371683.db2.gz GWRJZGYEIMLLBF-UHFFFAOYSA-N 0 3 191.274 2.777 20 0 AFADHN C[C@H](NC1CC1)c1ccncc1Cl 335076794 346377127 /nfs/dbraw/zinc/37/71/27/346377127.db2.gz XRXVWCGYPIFJQN-ZETCQYMHSA-N 0 3 196.681 2.548 20 0 AFADHN Cc1ccoc1CN1CCC12CCC2 335310629 346389039 /nfs/dbraw/zinc/38/90/39/346389039.db2.gz NBMMQWLDWMNIKX-UHFFFAOYSA-N 0 3 191.274 2.716 20 0 AFADHN C[C@H](F)CCN1Cc2ccccc2C1 335317737 346389230 /nfs/dbraw/zinc/38/92/30/346389230.db2.gz RQYLQYGQJOFMAJ-JTQLQIEISA-N 0 3 193.265 2.750 20 0 AFADHN Cc1ccoc1CNC1CC(C)(F)C1 335375541 346392981 /nfs/dbraw/zinc/39/29/81/346392981.db2.gz LZUMMYKAPIOZRA-UHFFFAOYSA-N 0 3 197.253 2.568 20 0 AFADHN CC1(F)CC(NCc2ccsc2)C1 335376833 346393114 /nfs/dbraw/zinc/39/31/14/346393114.db2.gz XVXSLOCLJKADIA-UHFFFAOYSA-N 0 3 199.294 2.728 20 0 AFADHN Cc1ccc(CNC2CC(C)(F)C2)o1 335374916 346393132 /nfs/dbraw/zinc/39/31/32/346393132.db2.gz CLZIAFCRGAHLIH-UHFFFAOYSA-N 0 3 197.253 2.568 20 0 AFADHN Cc1ccc(CN(C)C(C)(C)C)o1 335449253 346397292 /nfs/dbraw/zinc/39/72/92/346397292.db2.gz JGCNXUMHKOKVOK-UHFFFAOYSA-N 0 3 181.279 2.818 20 0 AFADHN CC1(C)CC(NC2(CF)CCC2)C1 335450434 346398146 /nfs/dbraw/zinc/39/81/46/346398146.db2.gz YCROOKIFXRBQCH-UHFFFAOYSA-N 0 3 185.286 2.657 20 0 AFADHN Cc1ccoc1CN(C)C(C)(C)C 335450131 346398153 /nfs/dbraw/zinc/39/81/53/346398153.db2.gz UZWCZBSNVSPLMD-UHFFFAOYSA-N 0 3 181.279 2.818 20 0 AFADHN Cc1cccnc1CN(C)C(C)(C)C 335455773 346398170 /nfs/dbraw/zinc/39/81/70/346398170.db2.gz RIXLCTZIWCUPMT-UHFFFAOYSA-N 0 3 192.306 2.620 20 0 AFADHN Cc1cncc(CN(C)C(C)(C)C)c1 335454340 346398209 /nfs/dbraw/zinc/39/82/09/346398209.db2.gz FMYDELRGRMZCNN-UHFFFAOYSA-N 0 3 192.306 2.620 20 0 AFADHN Cc1ccc(CN(C)C(C)(C)C)nc1 335456536 346398241 /nfs/dbraw/zinc/39/82/41/346398241.db2.gz SUYQCFZJZUUTDA-UHFFFAOYSA-N 0 3 192.306 2.620 20 0 AFADHN Cc1ncsc1CN(C)C(C)(C)C 335455010 346398288 /nfs/dbraw/zinc/39/82/88/346398288.db2.gz LOKYEXODLHGAKV-UHFFFAOYSA-N 0 3 198.335 2.682 20 0 AFADHN Cc1ncccc1CN(C)C(C)(C)C 335454411 346398574 /nfs/dbraw/zinc/39/85/74/346398574.db2.gz JJORQRRIHPEMMS-UHFFFAOYSA-N 0 3 192.306 2.620 20 0 AFADHN Cc1ccc(CN(C)C(C)(C)C)cn1 335450092 346398777 /nfs/dbraw/zinc/39/87/77/346398777.db2.gz UAWXDAIVQRFPRT-UHFFFAOYSA-N 0 3 192.306 2.620 20 0 AFADHN Cc1cccc(CN(C)C(C)(C)C)n1 335455715 346398856 /nfs/dbraw/zinc/39/88/56/346398856.db2.gz PQTCKVRQYCMXKZ-UHFFFAOYSA-N 0 3 192.306 2.620 20 0 AFADHN Cc1ccncc1CN(C)C(C)(C)C 335457071 346399068 /nfs/dbraw/zinc/39/90/68/346399068.db2.gz WHJFGTVUJJFCQT-UHFFFAOYSA-N 0 3 192.306 2.620 20 0 AFADHN CCCN1CCC[C@H]1c1cc(C)no1 335525027 346403427 /nfs/dbraw/zinc/40/34/27/346403427.db2.gz PABIPQGDINRXTN-JTQLQIEISA-N 0 3 194.278 2.530 20 0 AFADHN CN(Cc1cncs1)C1CCCC1 335593745 346407721 /nfs/dbraw/zinc/40/77/21/346407721.db2.gz JKWNFTNOBVFQHG-UHFFFAOYSA-N 0 3 196.319 2.518 20 0 AFADHN Cc1noc(C)c1CN(C)C(C)(C)C 335802033 346420807 /nfs/dbraw/zinc/42/08/07/346420807.db2.gz QXQZPBHKSMXANP-UHFFFAOYSA-N 0 3 196.294 2.522 20 0 AFADHN CN(Cc1ccco1)[C@H]1C=CCCC1 335913111 346427780 /nfs/dbraw/zinc/42/77/80/346427780.db2.gz UMYHJRKRRHHCQV-NSHDSACASA-N 0 3 191.274 2.820 20 0 AFADHN CN(Cc1ccco1)[C@@H]1C=CCCC1 335913110 346427809 /nfs/dbraw/zinc/42/78/09/346427809.db2.gz UMYHJRKRRHHCQV-LLVKDONJSA-N 0 3 191.274 2.820 20 0 AFADHN Cc1ccc2c(c1)CN(CC1CC1)C2 336086366 346437795 /nfs/dbraw/zinc/43/77/95/346437795.db2.gz SHRVLSPJRKEBCE-UHFFFAOYSA-N 0 3 187.286 2.721 20 0 AFADHN Cc1cc(CN(C)C2CC2)cs1 336209893 346445261 /nfs/dbraw/zinc/44/52/61/346445261.db2.gz KSMVPXVGIWCSJU-UHFFFAOYSA-N 0 3 181.304 2.651 20 0 AFADHN C[C@H](c1ccccc1)N1CC[C@@H](F)C1 336259948 346449158 /nfs/dbraw/zinc/44/91/58/346449158.db2.gz WXOITTUPYDODRW-ZYHUDNBSSA-N 0 3 193.265 2.791 20 0 AFADHN C[C@H](F)CCN1CCC[C@](C)(F)C1 336266752 346449762 /nfs/dbraw/zinc/44/97/62/346449762.db2.gz KZMXZHOXVQQWKN-UWVGGRQHSA-N 0 3 191.265 2.559 20 0 AFADHN C[C@H](F)CCN1CCC[C@@](C)(F)C1 336266753 346450232 /nfs/dbraw/zinc/45/02/32/346450232.db2.gz KZMXZHOXVQQWKN-VHSXEESVSA-N 0 3 191.265 2.559 20 0 AFADHN CN(Cc1cc(F)cc(F)c1)C1CC1 336438207 346462884 /nfs/dbraw/zinc/46/28/84/346462884.db2.gz NGMIRTIMOXQTBW-UHFFFAOYSA-N 0 3 197.228 2.559 20 0 AFADHN Cc1ccc2c(c1)CN(CCCF)C2 336529162 346469603 /nfs/dbraw/zinc/46/96/03/346469603.db2.gz WSTIMWTUFWAZHL-UHFFFAOYSA-N 0 3 193.265 2.670 20 0 AFADHN CCCN1CC=C(C(F)(F)F)CC1 336553305 346471693 /nfs/dbraw/zinc/47/16/93/346471693.db2.gz IGCSJEOJEFOXJI-UHFFFAOYSA-N 0 3 193.212 2.591 20 0 AFADHN Cc1nc(C)c(CN(C)C(C)C)s1 336553603 346472167 /nfs/dbraw/zinc/47/21/67/346472167.db2.gz ABUHCVFUQAJVHD-UHFFFAOYSA-N 0 3 198.335 2.600 20 0 AFADHN CC(C)N1CC=C(C(F)(F)F)CC1 336553370 346472302 /nfs/dbraw/zinc/47/23/02/346472302.db2.gz SVZFLGAURIHXQH-UHFFFAOYSA-N 0 3 193.212 2.589 20 0 AFADHN CCCN1CCc2sccc2C1 336554156 346473304 /nfs/dbraw/zinc/47/33/04/346473304.db2.gz CPZCGRHZMPIKNR-UHFFFAOYSA-N 0 3 181.304 2.516 20 0 AFADHN CN(C)CCSCCC(C)(C)C 379334379 346501317 /nfs/dbraw/zinc/50/13/17/346501317.db2.gz MGPQNCDIKWUOSH-UHFFFAOYSA-N 0 3 189.368 2.717 20 0 AFADHN CC(C)CCN(C)CCC(F)(F)F 379379978 346510627 /nfs/dbraw/zinc/51/06/27/346510627.db2.gz BNBYVNLYLGYOFA-UHFFFAOYSA-N 0 3 197.244 2.917 20 0 AFADHN CC(C)[C@H](C)N(C)Cc1ccco1 379397112 346515657 /nfs/dbraw/zinc/51/56/57/346515657.db2.gz DIMTXJAVSYROFV-JTQLQIEISA-N 0 3 181.279 2.756 20 0 AFADHN CC(C)[C@@H](C)N(C)Cc1ccco1 379397113 346515922 /nfs/dbraw/zinc/51/59/22/346515922.db2.gz DIMTXJAVSYROFV-SNVBAGLBSA-N 0 3 181.279 2.756 20 0 AFADHN CN(Cc1ccco1)CC1CCC1 379404981 346519287 /nfs/dbraw/zinc/51/92/87/346519287.db2.gz SGKVGYRIMWXNNA-UHFFFAOYSA-N 0 3 179.263 2.512 20 0 AFADHN CCCCN(CC)Cc1ccoc1 379415861 346522105 /nfs/dbraw/zinc/52/21/05/346522105.db2.gz QHXQHZWOHFOUEI-UHFFFAOYSA-N 0 3 181.279 2.902 20 0 AFADHN CC(C)CCN(C)Cc1ccoc1 388772804 346566184 /nfs/dbraw/zinc/56/61/84/346566184.db2.gz HIPSRVOPHGYDAQ-UHFFFAOYSA-N 0 3 181.279 2.758 20 0 AFADHN CCCCN(C)Cc1scnc1C 388919874 346570269 /nfs/dbraw/zinc/57/02/69/346570269.db2.gz RKPIBYLPDZBOFK-UHFFFAOYSA-N 0 3 198.335 2.683 20 0 AFADHN CC[C@@H](C)N(C)CCC(F)(F)F 393329448 346575503 /nfs/dbraw/zinc/57/55/03/346575503.db2.gz CFSMEYVFNHSOIV-SSDOTTSWSA-N 0 3 183.217 2.669 20 0 AFADHN CC[C@H](C)N(C)CCC(F)(F)F 393329452 346575821 /nfs/dbraw/zinc/57/58/21/346575821.db2.gz CFSMEYVFNHSOIV-ZETCQYMHSA-N 0 3 183.217 2.669 20 0 AFADHN CN(Cc1ccoc1)CC1CCC1 393717604 346582510 /nfs/dbraw/zinc/58/25/10/346582510.db2.gz CITCCXHCPPXCFN-UHFFFAOYSA-N 0 3 179.263 2.512 20 0 AFADHN CC(C)N(CCC(F)(F)F)C1CC1 393721480 346583121 /nfs/dbraw/zinc/58/31/21/346583121.db2.gz WQRUMDZMRMYGPP-UHFFFAOYSA-N 0 3 195.228 2.812 20 0 AFADHN CCCC[C@H](C)NCc1conc1C 397872449 346593523 /nfs/dbraw/zinc/59/35/23/346593523.db2.gz ATSMUQFTZSOOHS-VIFPVBQESA-N 0 3 196.294 2.651 20 0 AFADHN CCCC[C@@H](C)NCc1conc1C 397872448 346593681 /nfs/dbraw/zinc/59/36/81/346593681.db2.gz ATSMUQFTZSOOHS-SECBINFHSA-N 0 3 196.294 2.651 20 0 AFADHN CNC[C@@H](F)C/C=C/c1ccccc1 575623129 346716437 /nfs/dbraw/zinc/71/64/37/346716437.db2.gz BIEISDIJTDAATN-ZCRIDZFUSA-N 0 3 193.265 2.647 20 0 AFADHN CNC[C@H](F)C/C=C/c1ccccc1 575623128 346716633 /nfs/dbraw/zinc/71/66/33/346716633.db2.gz BIEISDIJTDAATN-FZKGZDJFSA-N 0 3 193.265 2.647 20 0 AFADHN CNC[C@H](F)CCCc1ccccc1 575623268 346717232 /nfs/dbraw/zinc/71/72/32/346717232.db2.gz DDGYMLIFTQSNPY-GFCCVEGCSA-N 0 3 195.281 2.567 20 0 AFADHN CNC[C@@H](F)CCCc1ccccc1 575623269 346717338 /nfs/dbraw/zinc/71/73/38/346717338.db2.gz DDGYMLIFTQSNPY-LBPRGKRZSA-N 0 3 195.281 2.567 20 0 AFADHN CNC[C@H](F)CC1CC2(CCC2)C1 585143296 346755681 /nfs/dbraw/zinc/75/56/81/346755681.db2.gz WHJNDLFAIJVFDC-SNVBAGLBSA-N 0 3 185.286 2.514 20 0 AFADHN CNC[C@@H](F)CC1CC2(CCC2)C1 585143295 346755808 /nfs/dbraw/zinc/75/58/08/346755808.db2.gz WHJNDLFAIJVFDC-JTQLQIEISA-N 0 3 185.286 2.514 20 0 AFADHN C[C@@H]1CCN(Cc2cccc(F)c2)C1 585755039 346762431 /nfs/dbraw/zinc/76/24/31/346762431.db2.gz YVHOMMZXYPMQRS-SNVBAGLBSA-N 0 3 193.265 2.668 20 0 AFADHN C[C@H]1CCN(Cc2cccc(F)c2)C1 585755038 346762436 /nfs/dbraw/zinc/76/24/36/346762436.db2.gz YVHOMMZXYPMQRS-JTQLQIEISA-N 0 3 193.265 2.668 20 0 AFADHN CCN(Cc1ccoc1)CC(C)C 588169098 346766038 /nfs/dbraw/zinc/76/60/38/346766038.db2.gz VMVZBCKQBPLULH-UHFFFAOYSA-N 0 3 181.279 2.758 20 0 AFADHN CCN(Cc1ccoc1)C(C)C 588236277 346766821 /nfs/dbraw/zinc/76/68/21/346766821.db2.gz VAEWCQLZHVRIOA-UHFFFAOYSA-N 0 3 167.252 2.510 20 0 AFADHN CC[C@H](C)N(C)Cc1c(C)noc1C 589998645 346774831 /nfs/dbraw/zinc/77/48/31/346774831.db2.gz PCTZPUNBLZDHKJ-QMMMGPOBSA-N 0 3 196.294 2.522 20 0 AFADHN CC[C@@H](C)N(C)Cc1c(C)noc1C 589998643 346774921 /nfs/dbraw/zinc/77/49/21/346774921.db2.gz PCTZPUNBLZDHKJ-MRVPVSSYSA-N 0 3 196.294 2.522 20 0 AFADHN CC[C@H](C)N(C)Cc1cnc(C)s1 591376371 346812461 /nfs/dbraw/zinc/81/24/61/346812461.db2.gz AKKFNRJAMYJQIV-QMMMGPOBSA-N 0 3 198.335 2.682 20 0 AFADHN CC[C@@H](C)N(C)Cc1cnc(C)s1 591376370 346812636 /nfs/dbraw/zinc/81/26/36/346812636.db2.gz AKKFNRJAMYJQIV-MRVPVSSYSA-N 0 3 198.335 2.682 20 0 AFADHN CCN1CC[C@H](c2cccc(F)c2)C1 591385210 346814299 /nfs/dbraw/zinc/81/42/99/346814299.db2.gz AVKUOVMGMXBDCM-NSHDSACASA-N 0 3 193.265 2.635 20 0 AFADHN CCN1CC[C@@H](c2cccc(F)c2)C1 591385198 346814713 /nfs/dbraw/zinc/81/47/13/346814713.db2.gz AVKUOVMGMXBDCM-LLVKDONJSA-N 0 3 193.265 2.635 20 0 AFADHN Cc1cc(CN2CCCC2)ccc1F 591690719 346818751 /nfs/dbraw/zinc/81/87/51/346818751.db2.gz HOXKXUXSHNNZKR-UHFFFAOYSA-N 0 3 193.265 2.730 20 0 AFADHN CCN(CC=C(C)C)CCSC 592202465 346828929 /nfs/dbraw/zinc/82/89/29/346828929.db2.gz KADMZZRZHRVCCY-UHFFFAOYSA-N 0 3 187.352 2.638 20 0 AFADHN CCN1CCCc2sccc2C1 592983865 346835169 /nfs/dbraw/zinc/83/51/69/346835169.db2.gz SYHKAYPTZHPDSD-UHFFFAOYSA-N 0 3 181.304 2.516 20 0 AFADHN CC(C)=CCCSCCN(C)C 594892370 346853303 /nfs/dbraw/zinc/85/33/03/346853303.db2.gz VBRFCCNOQVWFHA-UHFFFAOYSA-N 0 3 187.352 2.638 20 0 AFADHN Cc1ncsc1CN(C)CC(C)C 595586605 346861239 /nfs/dbraw/zinc/86/12/39/346861239.db2.gz QPFSCKZUJZULBO-UHFFFAOYSA-N 0 3 198.335 2.539 20 0 AFADHN CCCN(C)Cc1cnc(CC)s1 597088182 346883252 /nfs/dbraw/zinc/88/32/52/346883252.db2.gz OVWCZPKREXXWTD-UHFFFAOYSA-N 0 3 198.335 2.547 20 0 AFADHN CCc1ncc(CN(C)C(C)C)s1 597086239 346883450 /nfs/dbraw/zinc/88/34/50/346883450.db2.gz XDYLLTMRTKUNJG-UHFFFAOYSA-N 0 3 198.335 2.546 20 0 AFADHN CCCN(Cc1ccno1)CC(C)C 600630168 346913634 /nfs/dbraw/zinc/91/36/34/346913634.db2.gz ZLSCLMLKJHGZEC-UHFFFAOYSA-N 0 3 196.294 2.543 20 0 AFADHN CC[C@H](C)CN(C)Cc1cccnc1 600656232 346914738 /nfs/dbraw/zinc/91/47/38/346914738.db2.gz FEGHINWAWKZMBD-NSHDSACASA-N 0 3 192.306 2.560 20 0 AFADHN CC[C@H](C)CN(C)Cc1ccccn1 600655156 346914766 /nfs/dbraw/zinc/91/47/66/346914766.db2.gz AXKICZHOTZNLHO-NSHDSACASA-N 0 3 192.306 2.560 20 0 AFADHN CC[C@@H](C)CN(C)Cc1cccnc1 600656231 346914769 /nfs/dbraw/zinc/91/47/69/346914769.db2.gz FEGHINWAWKZMBD-LLVKDONJSA-N 0 3 192.306 2.560 20 0 AFADHN CC[C@@H](C)CN(C)Cc1ccccn1 600655155 346915239 /nfs/dbraw/zinc/91/52/39/346915239.db2.gz AXKICZHOTZNLHO-LLVKDONJSA-N 0 3 192.306 2.560 20 0 AFADHN CC[C@@H]1CN(CCC(C)C)C[C@@H](C)O1 600700933 346915580 /nfs/dbraw/zinc/91/55/80/346915580.db2.gz OIZJFCXUWGZRLA-VXGBXAGGSA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@H]1CN(CCC(C)C)C[C@@H](C)O1 600700896 346915867 /nfs/dbraw/zinc/91/58/67/346915867.db2.gz OIZJFCXUWGZRLA-NEPJUHHUSA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@H]1CN(CCC(C)C)C[C@H](C)O1 600700932 346915918 /nfs/dbraw/zinc/91/59/18/346915918.db2.gz OIZJFCXUWGZRLA-RYUDHWBXSA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@@H]1CN(CCC(C)C)C[C@H](C)O1 600700929 346915922 /nfs/dbraw/zinc/91/59/22/346915922.db2.gz OIZJFCXUWGZRLA-NWDGAFQWSA-N 0 3 199.338 2.532 20 0 AFADHN CC(C)(C)CCN1CCOC(C)(C)C1 602862761 346946060 /nfs/dbraw/zinc/94/60/60/346946060.db2.gz RSSASLWMOZIVJF-UHFFFAOYSA-N 0 3 199.338 2.533 20 0 AFADHN C[C@H]1CN(CCC(C)(C)C)[C@H](C)CO1 602861184 346946160 /nfs/dbraw/zinc/94/61/60/346946160.db2.gz ZAVMMBLCNXXIQD-MNOVXSKESA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@@H]1CN(CCC(C)(C)C)CCO1 602861001 346946203 /nfs/dbraw/zinc/94/62/03/346946203.db2.gz LKNPSKDZJAZRQO-LLVKDONJSA-N 0 3 199.338 2.533 20 0 AFADHN C[C@@H]1CN(CCC(C)(C)C)[C@H](C)CO1 602861182 346946480 /nfs/dbraw/zinc/94/64/80/346946480.db2.gz ZAVMMBLCNXXIQD-GHMZBOCLSA-N 0 3 199.338 2.532 20 0 AFADHN C[C@H]1CO[C@H](C)CN1CCC(C)(C)C 602861186 346946528 /nfs/dbraw/zinc/94/65/28/346946528.db2.gz ZAVMMBLCNXXIQD-WDEREUQCSA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@H]1CN(CCC(C)(C)C)CCO1 602861006 346946595 /nfs/dbraw/zinc/94/65/95/346946595.db2.gz LKNPSKDZJAZRQO-NSHDSACASA-N 0 3 199.338 2.533 20 0 AFADHN CC(C)(C)CCN1CCOCC1(C)C 602877231 346947759 /nfs/dbraw/zinc/94/77/59/346947759.db2.gz MFWJEPCRYSDXOD-UHFFFAOYSA-N 0 3 199.338 2.533 20 0 AFADHN CCCCN1CCOC[C@@H]1CC(C)C 603713550 346957325 /nfs/dbraw/zinc/95/73/25/346957325.db2.gz QZXQORSPSRKNAC-LBPRGKRZSA-N 0 3 199.338 2.533 20 0 AFADHN CCCCN1CCOC[C@H]1CC(C)C 603713549 346957597 /nfs/dbraw/zinc/95/75/97/346957597.db2.gz QZXQORSPSRKNAC-GFCCVEGCSA-N 0 3 199.338 2.533 20 0 AFADHN CCC(C)(C)N(C)Cc1cc(C)no1 603938198 346960455 /nfs/dbraw/zinc/96/04/55/346960455.db2.gz ZGLDNOPLCFZKHG-UHFFFAOYSA-N 0 3 196.294 2.603 20 0 AFADHN CC[C@@H]1COCCN1CCC(C)(C)C 604396576 346962563 /nfs/dbraw/zinc/96/25/63/346962563.db2.gz YUGVTSOGOYSQMF-LLVKDONJSA-N 0 3 199.338 2.533 20 0 AFADHN CC[C@H]1COCCN1CCC(C)(C)C 604396577 346962666 /nfs/dbraw/zinc/96/26/66/346962666.db2.gz YUGVTSOGOYSQMF-NSHDSACASA-N 0 3 199.338 2.533 20 0 AFADHN CSCCN(C)[C@H](C)c1ccco1 604501399 346964230 /nfs/dbraw/zinc/96/42/30/346964230.db2.gz IFFSTPIZCHFVCR-SECBINFHSA-N 0 3 199.319 2.635 20 0 AFADHN CCCCCN1C[C@H](C)OC(C)(C)C1 605150270 346969017 /nfs/dbraw/zinc/96/90/17/346969017.db2.gz WLWJRIJRISFGAB-NSHDSACASA-N 0 3 199.338 2.676 20 0 AFADHN CCCCCN1C[C@@H](C)OC(C)(C)C1 605150269 346969214 /nfs/dbraw/zinc/96/92/14/346969214.db2.gz WLWJRIJRISFGAB-LLVKDONJSA-N 0 3 199.338 2.676 20 0 AFADHN CCCN(CC)Cc1cccc(C)n1 605901614 346973280 /nfs/dbraw/zinc/97/32/80/346973280.db2.gz LUYKNKWGPDIILG-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN CCN1CCc2cc(F)ccc2[C@@H]1C 606449398 346983354 /nfs/dbraw/zinc/98/33/54/346983354.db2.gz VILFRFBDXHQFND-VIFPVBQESA-N 0 3 193.265 2.765 20 0 AFADHN CCN1CCc2cccc(F)c2[C@@H]1C 606449758 346983399 /nfs/dbraw/zinc/98/33/99/346983399.db2.gz CYNSZSIISPMWFR-VIFPVBQESA-N 0 3 193.265 2.765 20 0 AFADHN CCN1CCc2cccc(F)c2[C@H]1C 606449757 346983449 /nfs/dbraw/zinc/98/34/49/346983449.db2.gz CYNSZSIISPMWFR-SECBINFHSA-N 0 3 193.265 2.765 20 0 AFADHN CCN1CCc2cc(F)ccc2[C@H]1C 606449397 346983472 /nfs/dbraw/zinc/98/34/72/346983472.db2.gz VILFRFBDXHQFND-SECBINFHSA-N 0 3 193.265 2.765 20 0 AFADHN CCCN(Cc1ccon1)CC(C)C 607151322 346988670 /nfs/dbraw/zinc/98/86/70/346988670.db2.gz DPDNRVZIDQYZSN-UHFFFAOYSA-N 0 3 196.294 2.543 20 0 AFADHN CC[C@H](C)CN(C)CCC(F)(F)F 607152386 346988693 /nfs/dbraw/zinc/98/86/93/346988693.db2.gz HVTZYIXIDOOUHK-QMMMGPOBSA-N 0 3 197.244 2.917 20 0 AFADHN CCN(CCC(F)(F)F)C1CCC1 607153879 346988732 /nfs/dbraw/zinc/98/87/32/346988732.db2.gz DRORIZVKDGHNRQ-UHFFFAOYSA-N 0 3 195.228 2.813 20 0 AFADHN CCN(CCC(F)(F)F)CC1CC1 607152569 346988845 /nfs/dbraw/zinc/98/88/45/346988845.db2.gz WLMALSXDKJJEJY-UHFFFAOYSA-N 0 3 195.228 2.671 20 0 AFADHN CC[C@@H](C)CN(C)CCC(F)(F)F 607152384 346988872 /nfs/dbraw/zinc/98/88/72/346988872.db2.gz HVTZYIXIDOOUHK-MRVPVSSYSA-N 0 3 197.244 2.917 20 0 AFADHN CCN(Cc1ccon1)[C@@H](C)C(C)C 607192652 346990397 /nfs/dbraw/zinc/99/03/97/346990397.db2.gz KMBMOVYDTWKIHQ-JTQLQIEISA-N 0 3 196.294 2.541 20 0 AFADHN CCCN(C)Cc1sc(C)nc1C 607728022 346992940 /nfs/dbraw/zinc/99/29/40/346992940.db2.gz SQLZLKYZTGJZDF-UHFFFAOYSA-N 0 3 198.335 2.602 20 0 AFADHN CCN(Cc1ccno1)[C@H](C)C(C)C 607732872 346994471 /nfs/dbraw/zinc/99/44/71/346994471.db2.gz YIILBYINUUFGNQ-SNVBAGLBSA-N 0 3 196.294 2.541 20 0 AFADHN CCN(Cc1ccno1)[C@@H](C)C(C)C 607732871 346994608 /nfs/dbraw/zinc/99/46/08/346994608.db2.gz YIILBYINUUFGNQ-JTQLQIEISA-N 0 3 196.294 2.541 20 0 AFADHN CCC[C@@H](C)N(C)Cc1ccncc1 607753516 346996368 /nfs/dbraw/zinc/99/63/68/346996368.db2.gz CREFVZIPNUMONC-LLVKDONJSA-N 0 3 192.306 2.702 20 0 AFADHN CCC[C@H](C)N(C)Cc1ccncc1 607753517 346996518 /nfs/dbraw/zinc/99/65/18/346996518.db2.gz CREFVZIPNUMONC-NSHDSACASA-N 0 3 192.306 2.702 20 0 AFADHN CC(C)CCN(C)Cc1ccncc1 607753571 346996651 /nfs/dbraw/zinc/99/66/51/346996651.db2.gz XUEGLUHGXQZHFF-UHFFFAOYSA-N 0 3 192.306 2.560 20 0 AFADHN CCC(C)(C)CCN1CCO[C@@H](C)C1 608491274 347002767 /nfs/dbraw/zinc/00/27/67/347002767.db2.gz QCGRICAEAXKWCY-NSHDSACASA-N 0 3 199.338 2.533 20 0 AFADHN CCC(C)(C)CCN1CCO[C@H](C)C1 608491273 347002780 /nfs/dbraw/zinc/00/27/80/347002780.db2.gz QCGRICAEAXKWCY-LLVKDONJSA-N 0 3 199.338 2.533 20 0 AFADHN CN(CCC1CC1)Cc1ccco1 608491462 347002873 /nfs/dbraw/zinc/00/28/73/347002873.db2.gz QLKULPFMUYOBKC-UHFFFAOYSA-N 0 3 179.263 2.512 20 0 AFADHN CN(CCC1CC1)Cc1ccsc1 608492004 347003333 /nfs/dbraw/zinc/00/33/33/347003333.db2.gz SVNTVQASTKOEAE-UHFFFAOYSA-N 0 3 195.331 2.980 20 0 AFADHN CCN(CCC1CC1)Cc1ccco1 608493269 347003996 /nfs/dbraw/zinc/00/39/96/347003996.db2.gz TZXFOZPWYDEYBU-UHFFFAOYSA-N 0 3 193.290 2.902 20 0 AFADHN CCN(Cc1ccco1)CC1CCC1 608493258 347004069 /nfs/dbraw/zinc/00/40/69/347004069.db2.gz LBTPNWIDFHTJHU-UHFFFAOYSA-N 0 3 193.290 2.902 20 0 AFADHN Cc1occc1CN(C)CCC1CC1 608493218 347004151 /nfs/dbraw/zinc/00/41/51/347004151.db2.gz SNWLMGADAKKRGA-UHFFFAOYSA-N 0 3 193.290 2.820 20 0 AFADHN Cc1occc1CN(C)CC1CCC1 608493196 347004387 /nfs/dbraw/zinc/00/43/87/347004387.db2.gz NFIFKOMSLQWXQA-UHFFFAOYSA-N 0 3 193.290 2.820 20 0 AFADHN CN(CCC1CC1)Cc1ccoc1 608493112 347004622 /nfs/dbraw/zinc/00/46/22/347004622.db2.gz UZULDUJTPBOXMP-UHFFFAOYSA-N 0 3 179.263 2.512 20 0 AFADHN c1ccc2c(c1)CN(CC1CCC1)C2 608495809 347005034 /nfs/dbraw/zinc/00/50/34/347005034.db2.gz DHULMVKHZBBBRJ-UHFFFAOYSA-N 0 3 187.286 2.802 20 0 AFADHN CCN(Cc1ccoc1)CC1CCC1 608494646 347005092 /nfs/dbraw/zinc/00/50/92/347005092.db2.gz GCQSCCRUOMDREA-UHFFFAOYSA-N 0 3 193.290 2.902 20 0 AFADHN CCN(CCC1CC1)Cc1ccoc1 608494215 347005209 /nfs/dbraw/zinc/00/52/09/347005209.db2.gz URAOERWHSMUDNM-UHFFFAOYSA-N 0 3 193.290 2.902 20 0 AFADHN CN(CCC1CC1)CCC(F)(F)F 608494708 347005550 /nfs/dbraw/zinc/00/55/50/347005550.db2.gz SBOTUBWQDCEDGQ-UHFFFAOYSA-N 0 3 195.228 2.671 20 0 AFADHN CN(Cc1cccc(F)c1)C1CCC1 608500833 347008704 /nfs/dbraw/zinc/00/87/04/347008704.db2.gz SAVMXBVBZFXITQ-UHFFFAOYSA-N 0 3 193.265 2.810 20 0 AFADHN CN(Cc1ccccc1F)C1CCC1 608501038 347008853 /nfs/dbraw/zinc/00/88/53/347008853.db2.gz KLZZNEHCPWXPTP-UHFFFAOYSA-N 0 3 193.265 2.810 20 0 AFADHN C[C@H](c1ccccc1F)N1CCCC1 613311690 347057641 /nfs/dbraw/zinc/05/76/41/347057641.db2.gz NGZHIQKTNGZTTG-SNVBAGLBSA-N 0 3 193.265 2.983 20 0 AFADHN C[C@@H](c1ccccc1F)N1CCCC1 613311672 347057762 /nfs/dbraw/zinc/05/77/62/347057762.db2.gz NGZHIQKTNGZTTG-JTQLQIEISA-N 0 3 193.265 2.983 20 0 AFADHN CCCN(Cc1ccc(C)o1)C1CC1 613443349 347059543 /nfs/dbraw/zinc/05/95/43/347059543.db2.gz HJRFDEYFXOROOP-UHFFFAOYSA-N 0 3 193.290 2.962 20 0 AFADHN CCCCN(C)Cc1cnc(C)s1 613470477 347060033 /nfs/dbraw/zinc/06/00/33/347060033.db2.gz PAGUQZOETBCZAS-UHFFFAOYSA-N 0 3 198.335 2.683 20 0 AFADHN Cc1ncc(CN(C)CC(C)C)s1 613470447 347060070 /nfs/dbraw/zinc/06/00/70/347060070.db2.gz MXMYCXHJPHGFIZ-UHFFFAOYSA-N 0 3 198.335 2.539 20 0 AFADHN CN(Cc1ccccc1F)CC1CC1 613476447 347060740 /nfs/dbraw/zinc/06/07/40/347060740.db2.gz YGQNVGFCBFWUOD-UHFFFAOYSA-N 0 3 193.265 2.668 20 0 AFADHN CCN(Cc1ccc(C)o1)C1CC1 613738906 347063818 /nfs/dbraw/zinc/06/38/18/347063818.db2.gz JNEVNAOIMJSCSS-UHFFFAOYSA-N 0 3 179.263 2.572 20 0 AFADHN CC(C)CCN(C)Cc1cccn1C 613877834 347064909 /nfs/dbraw/zinc/06/49/09/347064909.db2.gz KBLCIOSXYTUWLK-UHFFFAOYSA-N 0 3 194.322 2.503 20 0 AFADHN CCN1CCC[C@@H]1c1cccc(F)c1 614025544 347067160 /nfs/dbraw/zinc/06/71/60/347067160.db2.gz UTARDZHOUBPWEZ-GFCCVEGCSA-N 0 3 193.265 2.983 20 0 AFADHN CCN1CCC[C@H]1c1cccc(F)c1 614025560 347067203 /nfs/dbraw/zinc/06/72/03/347067203.db2.gz UTARDZHOUBPWEZ-LBPRGKRZSA-N 0 3 193.265 2.983 20 0 AFADHN Cc1ccc(CN(C(C)C)C2CC2)o1 614121984 347067631 /nfs/dbraw/zinc/06/76/31/347067631.db2.gz VZKGUVMIJTVHPE-UHFFFAOYSA-N 0 3 193.290 2.961 20 0 AFADHN C[C@H](c1cccc(F)c1)N1CCCC1 615453897 347079919 /nfs/dbraw/zinc/07/99/19/347079919.db2.gz CHBPMCZGVAVPIY-SNVBAGLBSA-N 0 3 193.265 2.983 20 0 AFADHN C[C@@H](c1cccc(F)c1)N1CCCC1 615453895 347080141 /nfs/dbraw/zinc/08/01/41/347080141.db2.gz CHBPMCZGVAVPIY-JTQLQIEISA-N 0 3 193.265 2.983 20 0 AFADHN CCCCN(C)[C@H](C)c1cccnc1 616008409 347089879 /nfs/dbraw/zinc/08/98/79/347089879.db2.gz XVLLUDBSFZAWKK-LLVKDONJSA-N 0 3 192.306 2.875 20 0 AFADHN CCCCN(C)[C@@H](C)c1cccnc1 616008414 347090477 /nfs/dbraw/zinc/09/04/77/347090477.db2.gz XVLLUDBSFZAWKK-NSHDSACASA-N 0 3 192.306 2.875 20 0 AFADHN CN(Cc1ccoc1)CC1CCCC1 618538040 347190703 /nfs/dbraw/zinc/19/07/03/347190703.db2.gz DLXIIIKWMUDEDV-UHFFFAOYSA-N 0 3 193.290 2.902 20 0 AFADHN Cc1occc1CN(C)CC(C)C 618986926 347196063 /nfs/dbraw/zinc/19/60/63/347196063.db2.gz GLSXRMBLBUTSFX-UHFFFAOYSA-N 0 3 181.279 2.676 20 0 AFADHN CC(C)CN(C)CCC(F)(F)F 619730653 347205320 /nfs/dbraw/zinc/20/53/20/347205320.db2.gz QTWADJKYAOEEOK-UHFFFAOYSA-N 0 3 183.217 2.527 20 0 AFADHN CC(C)CCN1C[C@H](C)OC(C)(C)C1 620368452 347213084 /nfs/dbraw/zinc/21/30/84/347213084.db2.gz WHVKZWOZNRPBRW-NSHDSACASA-N 0 3 199.338 2.532 20 0 AFADHN CC(C)CCN1C[C@@H](C)OC(C)(C)C1 620368451 347213119 /nfs/dbraw/zinc/21/31/19/347213119.db2.gz WHVKZWOZNRPBRW-LLVKDONJSA-N 0 3 199.338 2.532 20 0 AFADHN CCN(Cc1ccsc1)C1CC1 620749200 347217840 /nfs/dbraw/zinc/21/78/40/347217840.db2.gz GGHCPPVMJYYENN-UHFFFAOYSA-N 0 3 181.304 2.732 20 0 AFADHN CCCN(C)Cc1cncc(Cl)c1 621252774 347224045 /nfs/dbraw/zinc/22/40/45/347224045.db2.gz CTVQGPYSFWTSFN-UHFFFAOYSA-N 0 3 198.697 2.577 20 0 AFADHN CCCN(C)[C@H](C)c1ccco1 621277967 347224640 /nfs/dbraw/zinc/22/46/40/347224640.db2.gz JMZLWGPCBWAACA-SECBINFHSA-N 0 3 167.252 2.682 20 0 AFADHN CCCN(C)[C@@H](C)c1ccco1 621277968 347224773 /nfs/dbraw/zinc/22/47/73/347224773.db2.gz JMZLWGPCBWAACA-VIFPVBQESA-N 0 3 167.252 2.682 20 0 AFADHN CCCN(Cc1ccco1)C(C)C 621272684 347224807 /nfs/dbraw/zinc/22/48/07/347224807.db2.gz COKZDEQIKQTSFQ-UHFFFAOYSA-N 0 3 181.279 2.900 20 0 AFADHN CC(C)CN(C)[C@@H](C)c1ccco1 621277973 347224818 /nfs/dbraw/zinc/22/48/18/347224818.db2.gz MHZOEIDDLAPHCE-JTQLQIEISA-N 0 3 181.279 2.928 20 0 AFADHN CCCN(CC)Cc1cnc(C)s1 621271218 347224825 /nfs/dbraw/zinc/22/48/25/347224825.db2.gz GVKCKYNOKMZDEI-UHFFFAOYSA-N 0 3 198.335 2.683 20 0 AFADHN CCCN(CC)Cc1c(C)noc1C 621272012 347225102 /nfs/dbraw/zinc/22/51/02/347225102.db2.gz RYIMAJRRKDTNER-UHFFFAOYSA-N 0 3 196.294 2.523 20 0 AFADHN CC(C)CN(C)[C@H](C)c1ccco1 621277974 347225134 /nfs/dbraw/zinc/22/51/34/347225134.db2.gz MHZOEIDDLAPHCE-SNVBAGLBSA-N 0 3 181.279 2.928 20 0 AFADHN Cc1ccoc1CNCC1CC(C)C1 621384057 347228648 /nfs/dbraw/zinc/22/86/48/347228648.db2.gz ZYPQPOMWWJPQOD-UHFFFAOYSA-N 0 3 193.290 2.724 20 0 AFADHN Cc1ccc(CNCC2CC(C)C2)o1 621382923 347228682 /nfs/dbraw/zinc/22/86/82/347228682.db2.gz JGZGQJLYAOIPLS-UHFFFAOYSA-N 0 3 193.290 2.724 20 0 AFADHN CC1CC(CN[C@@H](C)c2ccco2)C1 621771265 347232268 /nfs/dbraw/zinc/23/22/68/347232268.db2.gz ADUABINZXYPJRW-YVNMAJEFSA-N 0 3 193.290 2.976 20 0 AFADHN CC1CC(CN[C@H](C)c2ccco2)C1 621771264 347232352 /nfs/dbraw/zinc/23/23/52/347232352.db2.gz ADUABINZXYPJRW-HSOILSAZSA-N 0 3 193.290 2.976 20 0 AFADHN CCCN(CC)CCC(F)(F)F 623120709 347253081 /nfs/dbraw/zinc/25/30/81/347253081.db2.gz HXAQTZWLAKHRPV-UHFFFAOYSA-N 0 3 183.217 2.671 20 0 AFADHN CCCCN(C)[C@H](C)c1ccncc1 623194257 347253955 /nfs/dbraw/zinc/25/39/55/347253955.db2.gz FIODASIANPDQKT-LLVKDONJSA-N 0 3 192.306 2.875 20 0 AFADHN CCCCN(C)[C@@H](C)c1ccncc1 623194258 347254091 /nfs/dbraw/zinc/25/40/91/347254091.db2.gz FIODASIANPDQKT-NSHDSACASA-N 0 3 192.306 2.875 20 0 AFADHN C[C@@H]1CCN(Cc2ccccc2F)C1 624771915 347281259 /nfs/dbraw/zinc/28/12/59/347281259.db2.gz XGCSAHHIGBAVOM-SNVBAGLBSA-N 0 3 193.265 2.668 20 0 AFADHN C[C@H]1CCN(Cc2ccccc2F)C1 624771911 347281475 /nfs/dbraw/zinc/28/14/75/347281475.db2.gz XGCSAHHIGBAVOM-JTQLQIEISA-N 0 3 193.265 2.668 20 0 AFADHN FC(F)(F)CCN(C1CC1)C1CC1 625839160 347292844 /nfs/dbraw/zinc/29/28/44/347292844.db2.gz SYNISWAIATXHEN-UHFFFAOYSA-N 0 3 193.212 2.566 20 0 AFADHN CC(C)=CCN(C1CC1)C1CC1 625837339 347293065 /nfs/dbraw/zinc/29/30/65/347293065.db2.gz MRMLUGGMWYGEHO-UHFFFAOYSA-N 0 3 165.280 2.579 20 0 AFADHN FC(F)CN1CCCC2(CC1)CC2 626113715 347297689 /nfs/dbraw/zinc/29/76/89/347297689.db2.gz CHZMRFUUBNGNFV-UHFFFAOYSA-N 0 3 189.249 2.518 20 0 AFADHN Cc1ccc([C@@H](C)CNCCF)cc1 628258668 347313873 /nfs/dbraw/zinc/31/38/73/347313873.db2.gz NQBRUTPNGXETKD-NSHDSACASA-N 0 3 195.281 2.658 20 0 AFADHN Cc1ccc([C@H](C)CNCCF)cc1 628258667 347313965 /nfs/dbraw/zinc/31/39/65/347313965.db2.gz NQBRUTPNGXETKD-LLVKDONJSA-N 0 3 195.281 2.658 20 0 AFADHN Cc1ncc(CN[C@H](C)C(C)(C)C)o1 628326166 347314763 /nfs/dbraw/zinc/31/47/63/347314763.db2.gz TVKOYGPAKNGAAZ-MRVPVSSYSA-N 0 3 196.294 2.507 20 0 AFADHN C(=C\c1ccccc1)\CN1C[C@H]2C[C@H]2C1 628409106 347316932 /nfs/dbraw/zinc/31/69/32/347316932.db2.gz MBPJAASRYBJFCA-ISRGKOJGSA-N 0 3 199.297 2.652 20 0 AFADHN C(=C/c1ccccc1)\CN1C[C@H]2C[C@H]2C1 628409109 347316977 /nfs/dbraw/zinc/31/69/77/347316977.db2.gz MBPJAASRYBJFCA-XXIWEDNYSA-N 0 3 199.297 2.652 20 0 AFADHN Cc1ccc(CNCCCF)c(F)c1 631089509 347376397 /nfs/dbraw/zinc/37/63/97/347376397.db2.gz CKMAEWVZLRIUGY-UHFFFAOYSA-N 0 3 199.244 2.583 20 0 AFADHN Cc1ccc(CN2CCCC2)c(F)c1 631036351 347376468 /nfs/dbraw/zinc/37/64/68/347376468.db2.gz LXGAPLNUMNOAJW-UHFFFAOYSA-N 0 3 193.265 2.730 20 0 AFADHN CC[C@@H]1CC[C@@H]1NCc1ccc(C)o1 631730096 347386883 /nfs/dbraw/zinc/38/68/83/347386883.db2.gz NFOSTZVUJYVQRJ-PWSUYJOCSA-N 0 3 193.290 2.866 20 0 AFADHN CC[C@@H]1CC[C@H]1NCc1ccc(C)o1 631730098 347387034 /nfs/dbraw/zinc/38/70/34/347387034.db2.gz NFOSTZVUJYVQRJ-ZYHUDNBSSA-N 0 3 193.290 2.866 20 0 AFADHN CC[C@H]1CC[C@H]1NCc1ccc(C)o1 631730092 347387112 /nfs/dbraw/zinc/38/71/12/347387112.db2.gz NFOSTZVUJYVQRJ-CMPLNLGQSA-N 0 3 193.290 2.866 20 0 AFADHN CC[C@H]1CC[C@@H]1NCc1ccc(C)o1 631730094 347387201 /nfs/dbraw/zinc/38/72/01/347387201.db2.gz NFOSTZVUJYVQRJ-JQWIXIFHSA-N 0 3 193.290 2.866 20 0 AFADHN CCCN(CCC)Cc1ccns1 637832542 347465219 /nfs/dbraw/zinc/46/52/19/347465219.db2.gz IMHBTHVJCWAZFJ-UHFFFAOYSA-N 0 3 198.335 2.765 20 0 AFADHN Cc1ccc(CN(C)C(C)C)c(F)c1 637838173 347465683 /nfs/dbraw/zinc/46/56/83/347465683.db2.gz RLCJSJRTPHAKQA-UHFFFAOYSA-N 0 3 195.281 2.974 20 0 AFADHN CN(Cc1ccns1)C1CCCC1 637879348 347467322 /nfs/dbraw/zinc/46/73/22/347467322.db2.gz VRXWBOSADHWCJM-UHFFFAOYSA-N 0 3 196.319 2.518 20 0 AFADHN CC(C)[C@H](C)N(C)Cc1ccns1 637902560 347468699 /nfs/dbraw/zinc/46/86/99/347468699.db2.gz KWOTXFUABWRJEP-VIFPVBQESA-N 0 3 198.335 2.619 20 0 AFADHN CC(C)[C@@H](C)N(C)Cc1ccns1 637902559 347468714 /nfs/dbraw/zinc/46/87/14/347468714.db2.gz KWOTXFUABWRJEP-SECBINFHSA-N 0 3 198.335 2.619 20 0 AFADHN CC[C@@H](C)N(C)Cc1cc(C)ns1 637911586 347469381 /nfs/dbraw/zinc/46/93/81/347469381.db2.gz MEOWULWNWBOIPM-SECBINFHSA-N 0 3 198.335 2.682 20 0 AFADHN CC[C@H](C)N(C)Cc1cc(C)ns1 637911587 347469633 /nfs/dbraw/zinc/46/96/33/347469633.db2.gz MEOWULWNWBOIPM-VIFPVBQESA-N 0 3 198.335 2.682 20 0 AFADHN CCN(Cc1ccns1)CC(C)C 637911425 347469776 /nfs/dbraw/zinc/46/97/76/347469776.db2.gz VZLLBOWWAICUTG-UHFFFAOYSA-N 0 3 198.335 2.621 20 0 AFADHN CCC[C@H](C)N(C)Cc1ccns1 637912753 347469842 /nfs/dbraw/zinc/46/98/42/347469842.db2.gz ZCLJNNVDEZRELR-VIFPVBQESA-N 0 3 198.335 2.764 20 0 AFADHN CCC[C@@H](C)N(C)Cc1ccns1 637912752 347469962 /nfs/dbraw/zinc/46/99/62/347469962.db2.gz ZCLJNNVDEZRELR-SECBINFHSA-N 0 3 198.335 2.764 20 0 AFADHN CC[C@H](C)CN(C)Cc1ccns1 637941059 347471088 /nfs/dbraw/zinc/47/10/88/347471088.db2.gz NAGYUNMBWDMILO-VIFPVBQESA-N 0 3 198.335 2.621 20 0 AFADHN CC[C@@H]1CCCN1Cc1ccns1 637965211 347471285 /nfs/dbraw/zinc/47/12/85/347471285.db2.gz QLDBXSSXHVLDRL-SECBINFHSA-N 0 3 196.319 2.518 20 0 AFADHN CC[C@@H](C)CN(C)Cc1ccns1 637941058 347471528 /nfs/dbraw/zinc/47/15/28/347471528.db2.gz NAGYUNMBWDMILO-SECBINFHSA-N 0 3 198.335 2.621 20 0 AFADHN CC[C@H]1CCCN1Cc1ccns1 637965212 347471629 /nfs/dbraw/zinc/47/16/29/347471629.db2.gz QLDBXSSXHVLDRL-VIFPVBQESA-N 0 3 196.319 2.518 20 0 AFADHN CCC(C)(C)N(C)Cc1ccns1 638062062 347473737 /nfs/dbraw/zinc/47/37/37/347473737.db2.gz JCHFFWJVCOEECR-UHFFFAOYSA-N 0 3 198.335 2.764 20 0 AFADHN C[C@H]1CC[C@H](C)N1Cc1ccns1 638173525 347476158 /nfs/dbraw/zinc/47/61/58/347476158.db2.gz YGZQJCSBIWAFSH-IUCAKERBSA-N 0 3 196.319 2.516 20 0 AFADHN C[C@@H]1CC[C@@H](C)N1Cc1ccns1 638173526 347476199 /nfs/dbraw/zinc/47/61/99/347476199.db2.gz YGZQJCSBIWAFSH-RKDXNWHRSA-N 0 3 196.319 2.516 20 0 AFADHN C[C@H]1CC[C@@H](C)N1Cc1ccns1 638173524 347476395 /nfs/dbraw/zinc/47/63/95/347476395.db2.gz YGZQJCSBIWAFSH-DTORHVGOSA-N 0 3 196.319 2.516 20 0 AFADHN COc1cccc(C)c1CNC(C)C 638323072 347479507 /nfs/dbraw/zinc/47/95/07/347479507.db2.gz FABCEQKENHLMCS-UHFFFAOYSA-N 0 3 193.290 2.502 20 0 AFADHN CCCN(Cc1ccns1)C(C)C 639313012 347510301 /nfs/dbraw/zinc/51/03/01/347510301.db2.gz QDRAVSIJUCNKOX-UHFFFAOYSA-N 0 3 198.335 2.764 20 0 AFADHN CC1(F)CCN(Cc2ccco2)CC1 639389112 347515875 /nfs/dbraw/zinc/51/58/75/347515875.db2.gz PWZIEWSCLQDPSK-UHFFFAOYSA-N 0 3 197.253 2.604 20 0 AFADHN CC(C)=CCN1CCC(C)(F)CC1 639389193 347516057 /nfs/dbraw/zinc/51/60/57/347516057.db2.gz STSOXMKRTXFUMC-UHFFFAOYSA-N 0 3 185.286 2.777 20 0 AFADHN Cc1sccc1CN1CC(C)(C)C1 639393071 347516120 /nfs/dbraw/zinc/51/61/20/347516120.db2.gz FPHXKWGJULKDAS-UHFFFAOYSA-N 0 3 195.331 2.898 20 0 AFADHN CC1(C)CN(Cc2cccs2)C1 639406593 347516945 /nfs/dbraw/zinc/51/69/45/347516945.db2.gz RJRDTLDHLLTUHE-UHFFFAOYSA-N 0 3 181.304 2.590 20 0 AFADHN Cc1ccsc1CN1CC(C)(C)C1 639405866 347516735 /nfs/dbraw/zinc/51/67/35/347516735.db2.gz NEWCEJWYHQQOOK-UHFFFAOYSA-N 0 3 195.331 2.898 20 0 AFADHN Cc1ccc(CN2CC(C)(C)C2)s1 639402371 347516844 /nfs/dbraw/zinc/51/68/44/347516844.db2.gz CHGBIZGZZMSROJ-UHFFFAOYSA-N 0 3 195.331 2.898 20 0 AFADHN CC(C)N(Cc1ccns1)C(C)C 639559750 347524677 /nfs/dbraw/zinc/52/46/77/347524677.db2.gz ZUEJNTNAEXAPBU-UHFFFAOYSA-N 0 3 198.335 2.762 20 0 AFADHN CC[C@H](C)N(CC)Cc1ccns1 639783627 347534978 /nfs/dbraw/zinc/53/49/78/347534978.db2.gz ISOVBQOCFBZALV-VIFPVBQESA-N 0 3 198.335 2.764 20 0 AFADHN CC[C@@H](C)N(CC)Cc1ccns1 639783625 347535012 /nfs/dbraw/zinc/53/50/12/347535012.db2.gz ISOVBQOCFBZALV-SECBINFHSA-N 0 3 198.335 2.764 20 0 AFADHN CCCNCc1ccc(SC)o1 641701533 347579356 /nfs/dbraw/zinc/57/93/56/347579356.db2.gz UBVOYEFVPFAZDM-UHFFFAOYSA-N 0 3 185.292 2.501 20 0 AFADHN CCCCNCc1ccc(SC)o1 641700358 347579433 /nfs/dbraw/zinc/57/94/33/347579433.db2.gz CSVZDEMQLVCARK-UHFFFAOYSA-N 0 3 199.319 2.891 20 0 AFADHN CC[C@@H](C)NCc1ccc(SC)o1 641701244 347579439 /nfs/dbraw/zinc/57/94/39/347579439.db2.gz QPLOIHBZRWWOKM-MRVPVSSYSA-N 0 3 199.319 2.890 20 0 AFADHN CC[C@H](C)NCc1ccc(SC)o1 641701245 347579678 /nfs/dbraw/zinc/57/96/78/347579678.db2.gz QPLOIHBZRWWOKM-QMMMGPOBSA-N 0 3 199.319 2.890 20 0 AFADHN CSc1ccc(CNCC2CC2)o1 641705380 347580141 /nfs/dbraw/zinc/58/01/41/347580141.db2.gz PQLCHJFSLJZAQH-UHFFFAOYSA-N 0 3 197.303 2.501 20 0 AFADHN CSc1ccc(CNCC(C)C)o1 641701997 347580398 /nfs/dbraw/zinc/58/03/98/347580398.db2.gz ZUXQLNASSLPIKU-UHFFFAOYSA-N 0 3 199.319 2.747 20 0 AFADHN CCN(C)[C@H](C)c1ccc(F)c(F)c1 641854150 347586050 /nfs/dbraw/zinc/58/60/50/347586050.db2.gz LITZXTHFZSBSAS-MRVPVSSYSA-N 0 3 199.244 2.978 20 0 AFADHN CCN(C)[C@@H](C)c1ccc(F)c(F)c1 641854157 347586139 /nfs/dbraw/zinc/58/61/39/347586139.db2.gz LITZXTHFZSBSAS-QMMMGPOBSA-N 0 3 199.244 2.978 20 0 AFADHN CC(C)CN(Cc1ccco1)C1CC1 641979914 347587349 /nfs/dbraw/zinc/58/73/49/347587349.db2.gz LMJIQIHOBVBINA-UHFFFAOYSA-N 0 3 193.290 2.900 20 0 AFADHN CCCCN(CC)Cc1cc(C)no1 641979609 347587368 /nfs/dbraw/zinc/58/73/68/347587368.db2.gz OWULDUKQCIHHJL-UHFFFAOYSA-N 0 3 196.294 2.605 20 0 AFADHN CC(C)N(Cc1ccco1)C1CC1 641979930 347587638 /nfs/dbraw/zinc/58/76/38/347587638.db2.gz ONBYQOKWTMRDMJ-UHFFFAOYSA-N 0 3 179.263 2.652 20 0 AFADHN CCN(Cc1cccs1)C1CC1 642094182 347588744 /nfs/dbraw/zinc/58/87/44/347588744.db2.gz HUBLSLFYUBZWLG-UHFFFAOYSA-N 0 3 181.304 2.732 20 0 AFADHN CCN(Cc1cccc(F)c1)C1CC1 642095760 347589484 /nfs/dbraw/zinc/58/94/84/347589484.db2.gz ZVQHNMISELSVBF-UHFFFAOYSA-N 0 3 193.265 2.810 20 0 AFADHN C[C@H](N(C)Cc1ccno1)C(C)(C)C 642103061 347589559 /nfs/dbraw/zinc/58/95/59/347589559.db2.gz CEPTYJKCQZRHNO-VIFPVBQESA-N 0 3 196.294 2.541 20 0 AFADHN CCCCN(CC)Cc1cccnc1 642187975 347590305 /nfs/dbraw/zinc/59/03/05/347590305.db2.gz FTHWXMDJWLLLPY-UHFFFAOYSA-N 0 3 192.306 2.704 20 0 AFADHN CCC[C@H](C)N(C)Cc1cc(C)no1 642253591 347591974 /nfs/dbraw/zinc/59/19/74/347591974.db2.gz ZQLIAEQSHKMKTG-JTQLQIEISA-N 0 3 196.294 2.603 20 0 AFADHN CCC[C@@H](C)N(C)Cc1cc(C)no1 642253592 347592187 /nfs/dbraw/zinc/59/21/87/347592187.db2.gz ZQLIAEQSHKMKTG-SNVBAGLBSA-N 0 3 196.294 2.603 20 0 AFADHN CCC[C@@H](C)N(C)Cc1cccnc1 642330796 347593323 /nfs/dbraw/zinc/59/33/23/347593323.db2.gz HJEQQJZHNLJPRG-LLVKDONJSA-N 0 3 192.306 2.702 20 0 AFADHN CCC[C@H](C)N(C)Cc1cccnc1 642330798 347593520 /nfs/dbraw/zinc/59/35/20/347593520.db2.gz HJEQQJZHNLJPRG-NSHDSACASA-N 0 3 192.306 2.702 20 0 AFADHN CCN(Cc1ccco1)C(C)C 642342893 347593967 /nfs/dbraw/zinc/59/39/67/347593967.db2.gz IEYUWNNUNDIOGB-UHFFFAOYSA-N 0 3 167.252 2.510 20 0 AFADHN CCN(Cc1ccco1)CC(C)C 642342888 347594011 /nfs/dbraw/zinc/59/40/11/347594011.db2.gz GGUMAGVZQGSSNX-UHFFFAOYSA-N 0 3 181.279 2.758 20 0 AFADHN CCCN(CCC)Cc1cc(C)no1 642529566 347595470 /nfs/dbraw/zinc/59/54/70/347595470.db2.gz GMXLUXJTXFYORM-UHFFFAOYSA-N 0 3 196.294 2.605 20 0 AFADHN CN(Cc1ccco1)CC1CCCC1 642619688 347596708 /nfs/dbraw/zinc/59/67/08/347596708.db2.gz JFNVFILYWGWUSD-UHFFFAOYSA-N 0 3 193.290 2.902 20 0 AFADHN CCCN(Cc1ccco1)C1CC1 642619689 347596751 /nfs/dbraw/zinc/59/67/51/347596751.db2.gz JHTNXLVLQMUZHZ-UHFFFAOYSA-N 0 3 179.263 2.654 20 0 AFADHN CCCN(C)Cc1ccsc1 642620320 347596848 /nfs/dbraw/zinc/59/68/48/347596848.db2.gz CGNCYCCIQADWSX-UHFFFAOYSA-N 0 3 169.293 2.590 20 0 AFADHN CCCN(C)Cc1ccc(F)c(F)c1 642621413 347597076 /nfs/dbraw/zinc/59/70/76/347597076.db2.gz NWHAHINAQUENNL-UHFFFAOYSA-N 0 3 199.244 2.807 20 0 AFADHN CN(C/C=C/c1ccccc1)C1CC1 642636054 347598173 /nfs/dbraw/zinc/59/81/73/347598173.db2.gz TTYBKCCUIMPTIW-VMPITWQZSA-N 0 3 187.286 2.794 20 0 AFADHN CCCN(CC)Cc1ccco1 642636831 347598288 /nfs/dbraw/zinc/59/82/88/347598288.db2.gz RULGOVXGVRHPPK-UHFFFAOYSA-N 0 3 167.252 2.512 20 0 AFADHN CN(C/C=C\c1ccccc1)C1CC1 642636055 347598535 /nfs/dbraw/zinc/59/85/35/347598535.db2.gz TTYBKCCUIMPTIW-YVMONPNESA-N 0 3 187.286 2.794 20 0 AFADHN C[C@@H]1CCC[C@H](NCc2ccco2)C1 15416768 351377893 /nfs/dbraw/zinc/37/78/93/351377893.db2.gz SMBHJCTZYUSCDR-MNOVXSKESA-N 0 3 193.290 2.948 20 0 AFADHN C[C@@H]1CCC[C@@H](NCc2ccco2)C1 15416765 351378118 /nfs/dbraw/zinc/37/81/18/351378118.db2.gz SMBHJCTZYUSCDR-GHMZBOCLSA-N 0 3 193.290 2.948 20 0 AFADHN CC[C@@H](C)N[C@H](C)c1ccco1 19882228 351396832 /nfs/dbraw/zinc/39/68/32/351396832.db2.gz CZWMNYIAYAERPU-RKDXNWHRSA-N 0 3 167.252 2.729 20 0 AFADHN CC[C@@H](C)N[C@@H](C)c1ccccn1 19882138 351396871 /nfs/dbraw/zinc/39/68/71/351396871.db2.gz ZIZPMVWWVBJJLJ-ZJUUUORDSA-N 0 3 178.279 2.531 20 0 AFADHN CC[C@@H](C)N[C@@H](C)c1ccco1 19882226 351397066 /nfs/dbraw/zinc/39/70/66/351397066.db2.gz CZWMNYIAYAERPU-BDAKNGLRSA-N 0 3 167.252 2.729 20 0 AFADHN CC(C)CCN[C@H](C)c1ccccn1 19911954 351397879 /nfs/dbraw/zinc/39/78/79/351397879.db2.gz QPIAUEWIAANLHU-LLVKDONJSA-N 0 3 192.306 2.778 20 0 AFADHN CC(C)CN[C@H](C)c1ccco1 19883081 351397742 /nfs/dbraw/zinc/39/77/42/351397742.db2.gz LPONEBOCMSTWNJ-SECBINFHSA-N 0 3 167.252 2.586 20 0 AFADHN CC(C)CN[C@@H](C)c1ccco1 19883080 351398194 /nfs/dbraw/zinc/39/81/94/351398194.db2.gz LPONEBOCMSTWNJ-VIFPVBQESA-N 0 3 167.252 2.586 20 0 AFADHN CC(C)C[C@H](C)NCc1ccccn1 19957272 351399052 /nfs/dbraw/zinc/39/90/52/351399052.db2.gz PBMSAIPJMUZISC-NSHDSACASA-N 0 3 192.306 2.606 20 0 AFADHN CC(C)C[C@@H](C)NCc1ccccn1 19957268 351399152 /nfs/dbraw/zinc/39/91/52/351399152.db2.gz PBMSAIPJMUZISC-LLVKDONJSA-N 0 3 192.306 2.606 20 0 AFADHN c1coc(CNCC2CCCC2)c1 37258187 351465900 /nfs/dbraw/zinc/46/59/00/351465900.db2.gz GLDSXIXZVIOEFV-UHFFFAOYSA-N 0 3 179.263 2.559 20 0 AFADHN CC[C@@H](C)NCc1ccc(Cl)o1 37486944 351470119 /nfs/dbraw/zinc/47/01/19/351470119.db2.gz MAAHGMAIJJOQBQ-SSDOTTSWSA-N 0 3 187.670 2.821 20 0 AFADHN CC(C)CNCc1ccc(Cl)o1 37486995 351470201 /nfs/dbraw/zinc/47/02/01/351470201.db2.gz VYWBMFVFMCEHLM-UHFFFAOYSA-N 0 3 187.670 2.679 20 0 AFADHN c1nc(CNC2CCCCC2)cs1 40420061 351506963 /nfs/dbraw/zinc/50/69/63/351506963.db2.gz NVPOYFAFEPBKCE-UHFFFAOYSA-N 0 3 196.319 2.565 20 0 AFADHN CC(C)CC[C@H](N)c1ccco1 43606970 351532384 /nfs/dbraw/zinc/53/23/84/351532384.db2.gz NOXRLHVCXCEXIO-VIFPVBQESA-N 0 3 167.252 2.716 20 0 AFADHN CC(C)CC[C@@H](N)c1ccco1 43606973 351532519 /nfs/dbraw/zinc/53/25/19/351532519.db2.gz NOXRLHVCXCEXIO-SECBINFHSA-N 0 3 167.252 2.716 20 0 AFADHN c1cc2c(o1)CCC[C@@H]2NC1CCC1 44480530 351538904 /nfs/dbraw/zinc/53/89/04/351538904.db2.gz IWHWVACAIDOZCQ-NSHDSACASA-N 0 3 191.274 2.799 20 0 AFADHN c1ccc2c(CNC3CC3)coc2c1 45206670 351542158 /nfs/dbraw/zinc/54/21/58/351542158.db2.gz YUARLHVZYZZHNV-UHFFFAOYSA-N 0 3 187.242 2.685 20 0 AFADHN Cc1cc(CNC2CC2)c(C)s1 49684758 351548717 /nfs/dbraw/zinc/54/87/17/351548717.db2.gz IUDOMUOLOLEXIC-UHFFFAOYSA-N 0 3 181.304 2.617 20 0 AFADHN CC(C)CC[C@H](N)c1ccccn1 53816976 351569715 /nfs/dbraw/zinc/56/97/15/351569715.db2.gz BZZQYVQIBDLQPO-JTQLQIEISA-N 0 3 178.279 2.518 20 0 AFADHN CC(C)CC[C@@H](N)c1ccccn1 53816977 351570352 /nfs/dbraw/zinc/57/03/52/351570352.db2.gz BZZQYVQIBDLQPO-SNVBAGLBSA-N 0 3 178.279 2.518 20 0 AFADHN CCN[C@@H](C)c1cccc(F)c1F 69640797 351598293 /nfs/dbraw/zinc/59/82/93/351598293.db2.gz OXZLWRSECULKTM-ZETCQYMHSA-N 0 3 185.217 2.635 20 0 AFADHN CCC[C@H](N)c1cccc(F)c1F 69640708 351598460 /nfs/dbraw/zinc/59/84/60/351598460.db2.gz ZENKQQYUQAVJCV-VIFPVBQESA-N 0 3 185.217 2.765 20 0 AFADHN CCC[C@@H](N)c1cccc(F)c1F 69640711 351598594 /nfs/dbraw/zinc/59/85/94/351598594.db2.gz ZENKQQYUQAVJCV-SECBINFHSA-N 0 3 185.217 2.765 20 0 AFADHN C[C@@H]1CC[C@H](NCc2ccco2)C1 70642689 351604633 /nfs/dbraw/zinc/60/46/33/351604633.db2.gz YOQOOLODYAIRSS-ZJUUUORDSA-N 0 3 179.263 2.558 20 0 AFADHN CC(C)CCN[C@H](C)c1nccs1 70634030 351604853 /nfs/dbraw/zinc/60/48/53/351604853.db2.gz FODPQRYACUEOPF-SECBINFHSA-N 0 3 198.335 2.840 20 0 AFADHN CC[C@@H](C)N[C@H](C)c1nccs1 70634107 351604921 /nfs/dbraw/zinc/60/49/21/351604921.db2.gz CQCXHIANZDMLAH-HTQZYQBOSA-N 0 3 184.308 2.592 20 0 AFADHN CC(C)CCN[C@@H](C)c1nccs1 70634029 351605039 /nfs/dbraw/zinc/60/50/39/351605039.db2.gz FODPQRYACUEOPF-VIFPVBQESA-N 0 3 198.335 2.840 20 0 AFADHN C[C@@H]1CC[C@@H](NCc2ccco2)C1 70642691 351605052 /nfs/dbraw/zinc/60/50/52/351605052.db2.gz YOQOOLODYAIRSS-NXEZZACHSA-N 0 3 179.263 2.558 20 0 AFADHN CC[C@@H](C)N[C@@H](C)c1nccs1 70634105 351605069 /nfs/dbraw/zinc/60/50/69/351605069.db2.gz CQCXHIANZDMLAH-SFYZADRCSA-N 0 3 184.308 2.592 20 0 AFADHN Cc1ccc(CN[C@H]2CC=CCC2)o1 80122865 351631010 /nfs/dbraw/zinc/63/10/10/351631010.db2.gz MMTJXRKWHDTJJM-NSHDSACASA-N 0 3 191.274 2.786 20 0 AFADHN Cc1ccc(CN[C@@H]2CC=CCC2)o1 80122874 351631210 /nfs/dbraw/zinc/63/12/10/351631210.db2.gz MMTJXRKWHDTJJM-LLVKDONJSA-N 0 3 191.274 2.786 20 0 AFADHN C[C@@H](c1ccccn1)N1CCCCC1 80855388 351632039 /nfs/dbraw/zinc/63/20/39/351632039.db2.gz VMDLLICQHJQUOR-NSHDSACASA-N 0 3 190.290 2.629 20 0 AFADHN CC[C@@H](C)NCc1ccncc1Cl 83343049 351645223 /nfs/dbraw/zinc/64/52/23/351645223.db2.gz XEOAXLLZVUMYIA-MRVPVSSYSA-N 0 3 198.697 2.623 20 0 AFADHN CC(C)c1ccc([C@@H](F)CN)cc1 158067507 351752731 /nfs/dbraw/zinc/75/27/31/351752731.db2.gz IBPVQRCQBBQMGE-NSHDSACASA-N 0 3 181.254 2.779 20 0 AFADHN CC(C)c1ccc([C@H](F)CN)cc1 158067371 351752974 /nfs/dbraw/zinc/75/29/74/351752974.db2.gz IBPVQRCQBBQMGE-LLVKDONJSA-N 0 3 181.254 2.779 20 0 AFADHN COc1ccccc1CN(C)C(C)C 205253902 351784558 /nfs/dbraw/zinc/78/45/58/351784558.db2.gz SNYVENHCFQMKMJ-UHFFFAOYSA-N 0 3 193.290 2.535 20 0 AFADHN F[C@@H]1CCC[C@@H]1NCc1ccccc1 216144837 351787708 /nfs/dbraw/zinc/78/77/08/351787708.db2.gz MOCIXOYRPSIYJZ-NEPJUHHUSA-N 0 3 193.265 2.667 20 0 AFADHN F[C@H]1CCC[C@H]1NCc1ccccc1 216144752 351787802 /nfs/dbraw/zinc/78/78/02/351787802.db2.gz MOCIXOYRPSIYJZ-NWDGAFQWSA-N 0 3 193.265 2.667 20 0 AFADHN CC(C)c1ccc([C@H](N)CF)cc1 238160824 351818492 /nfs/dbraw/zinc/81/84/92/351818492.db2.gz SELKDNORERBOBK-LLVKDONJSA-N 0 3 181.254 2.779 20 0 AFADHN Cc1ccc([C@@H](F)C(C)(C)N)cc1 257825095 351851270 /nfs/dbraw/zinc/85/12/70/351851270.db2.gz HAHRLCIOLSAEHN-SNVBAGLBSA-N 0 3 181.254 2.743 20 0 AFADHN Cc1ccc([C@H](F)C(C)(C)N)cc1 257825094 351851295 /nfs/dbraw/zinc/85/12/95/351851295.db2.gz HAHRLCIOLSAEHN-JTQLQIEISA-N 0 3 181.254 2.743 20 0 AFADHN Cc1ccccc1[C@@H](F)C(C)(C)N 257833632 351851801 /nfs/dbraw/zinc/85/18/01/351851801.db2.gz KKGLGKSNNYSGFR-SNVBAGLBSA-N 0 3 181.254 2.743 20 0 AFADHN Cc1ccccc1[C@H](F)C(C)(C)N 257833631 351851839 /nfs/dbraw/zinc/85/18/39/351851839.db2.gz KKGLGKSNNYSGFR-JTQLQIEISA-N 0 3 181.254 2.743 20 0 AFADHN Cc1cccc([C@@H](F)C(C)(C)N)c1 257983192 351856716 /nfs/dbraw/zinc/85/67/16/351856716.db2.gz ZZHFKOYUOBUBLT-SNVBAGLBSA-N 0 3 181.254 2.743 20 0 AFADHN Cc1cccc([C@H](F)C(C)(C)N)c1 257983190 351856734 /nfs/dbraw/zinc/85/67/34/351856734.db2.gz ZZHFKOYUOBUBLT-JTQLQIEISA-N 0 3 181.254 2.743 20 0 AFADHN NC[C@H](F)c1csc2ccccc12 258219103 351860426 /nfs/dbraw/zinc/86/04/26/351860426.db2.gz YICXEYUPBGIVIF-VIFPVBQESA-N 0 3 195.262 2.871 20 0 AFADHN NC[C@@H](F)c1csc2ccccc12 258219102 351860492 /nfs/dbraw/zinc/86/04/92/351860492.db2.gz YICXEYUPBGIVIF-SECBINFHSA-N 0 3 195.262 2.871 20 0 AFADHN c1ncc(CN2CCCCCC2)s1 258356925 351861294 /nfs/dbraw/zinc/86/12/94/351861294.db2.gz YWKZCJOGWPAODJ-UHFFFAOYSA-N 0 3 196.319 2.519 20 0 AFADHN C[C@@H]1C[C@H](NCCF)c2ccccc21 306236477 351911281 /nfs/dbraw/zinc/91/12/81/351911281.db2.gz HFDSHZLSHQVXKZ-SKDRFNHKSA-N 0 3 193.265 2.794 20 0 AFADHN C[C@@H]1C[C@@H](NCCF)c2ccccc21 306236473 351911531 /nfs/dbraw/zinc/91/15/31/351911531.db2.gz HFDSHZLSHQVXKZ-BXKDBHETSA-N 0 3 193.265 2.794 20 0 AFADHN c1coc(CN[C@@H]2CCC23CCC3)c1 306330701 351920594 /nfs/dbraw/zinc/92/05/94/351920594.db2.gz CPOBYAPMAISGCV-LLVKDONJSA-N 0 3 191.274 2.702 20 0 AFADHN c1coc(CN[C@H]2CCC23CCC3)c1 306330702 351920792 /nfs/dbraw/zinc/92/07/92/351920792.db2.gz CPOBYAPMAISGCV-NSHDSACASA-N 0 3 191.274 2.702 20 0 AFADHN Cc1occc1CNC1(C)CCC1 306492676 351937365 /nfs/dbraw/zinc/93/73/65/351937365.db2.gz XYVYKPFIEGKKRY-UHFFFAOYSA-N 0 3 179.263 2.620 20 0 AFADHN C[C@@H]1CCCCN1Cc1cncs1 306541291 351943377 /nfs/dbraw/zinc/94/33/77/351943377.db2.gz SPVRILMKTHKANG-SECBINFHSA-N 0 3 196.319 2.518 20 0 AFADHN C[C@H]1CCCCN1Cc1cncs1 306541292 351943538 /nfs/dbraw/zinc/94/35/38/351943538.db2.gz SPVRILMKTHKANG-VIFPVBQESA-N 0 3 196.319 2.518 20 0 AFADHN Cc1ccc2c(c1)CC[C@@H]2NCCF 306540980 351943562 /nfs/dbraw/zinc/94/35/62/351943562.db2.gz PGYAMIABOFDFHZ-LBPRGKRZSA-N 0 3 193.265 2.541 20 0 AFADHN Cc1ccc2c(c1)CC[C@H]2NCCF 306540979 351943589 /nfs/dbraw/zinc/94/35/89/351943589.db2.gz PGYAMIABOFDFHZ-GFCCVEGCSA-N 0 3 193.265 2.541 20 0 AFADHN C[C@@H]1CN([C@H]2C=CCCC2)CCS1 306549417 351944979 /nfs/dbraw/zinc/94/49/79/351944979.db2.gz YLSYBTPMSIZAKT-MNOVXSKESA-N 0 3 197.347 2.532 20 0 AFADHN C[C@@H]1CN([C@@H]2C=CCCC2)CCS1 306549416 351945180 /nfs/dbraw/zinc/94/51/80/351945180.db2.gz YLSYBTPMSIZAKT-GHMZBOCLSA-N 0 3 197.347 2.532 20 0 AFADHN c1cc(CN[C@@H]2CCC23CCC3)co1 307004272 351980814 /nfs/dbraw/zinc/98/08/14/351980814.db2.gz CSJCVKUWUPHBKT-LLVKDONJSA-N 0 3 191.274 2.702 20 0 AFADHN c1coc(CN2CCCCCC2)c1 307070330 351984779 /nfs/dbraw/zinc/98/47/79/351984779.db2.gz VNYVUIRZONLEMF-UHFFFAOYSA-N 0 3 179.263 2.656 20 0 AFADHN CN(Cc1cccc(Cl)c1)C1CC1 307100302 351986639 /nfs/dbraw/zinc/98/66/39/351986639.db2.gz GWODBSVYMMOXNH-UHFFFAOYSA-N 0 3 195.693 2.934 20 0 AFADHN CCCCN1CCc2sccc2C1 307298014 352001669 /nfs/dbraw/zinc/00/16/69/352001669.db2.gz QEVZDSGYSFNUON-UHFFFAOYSA-N 0 3 195.331 2.906 20 0 AFADHN C[C@@H]1CCCCN1Cc1ccco1 307698069 352033256 /nfs/dbraw/zinc/03/32/56/352033256.db2.gz MNFXZYKVKBBMBT-SNVBAGLBSA-N 0 3 179.263 2.654 20 0 AFADHN c1coc(CNC2CC3(CCC3)C2)c1 307716759 352035449 /nfs/dbraw/zinc/03/54/49/352035449.db2.gz IGPOOUDNUXWCFD-UHFFFAOYSA-N 0 3 191.274 2.702 20 0 AFADHN CCCN(C)Cc1cccc(F)c1 308247622 352047110 /nfs/dbraw/zinc/04/71/10/352047110.db2.gz XXDOSIUDDLFZBV-UHFFFAOYSA-N 0 3 181.254 2.668 20 0 AFADHN CCN(CC)Cc1cc(F)cc(F)c1 308448287 352051925 /nfs/dbraw/zinc/05/19/25/352051925.db2.gz AJNLNFUGLLMOIA-UHFFFAOYSA-N 0 3 199.244 2.807 20 0 AFADHN CC(C)CN1CCn2cccc2[C@@H]1C 335307420 352094047 /nfs/dbraw/zinc/09/40/47/352094047.db2.gz RMABJIAOKQBRIF-NSHDSACASA-N 0 3 192.306 2.521 20 0 AFADHN CC(C)CN1CCn2cccc2[C@H]1C 335307418 352094127 /nfs/dbraw/zinc/09/41/27/352094127.db2.gz RMABJIAOKQBRIF-LLVKDONJSA-N 0 3 192.306 2.521 20 0 AFADHN c1cc2c(s1)CCN(CC1CC1)C2 335519950 352101433 /nfs/dbraw/zinc/10/14/33/352101433.db2.gz GJVYEZAKZOGDGQ-UHFFFAOYSA-N 0 3 193.315 2.516 20 0 AFADHN c1coc(CN2CC(C3CCC3)C2)c1 335652695 352107237 /nfs/dbraw/zinc/10/72/37/352107237.db2.gz UBIMQGOINONBBT-UHFFFAOYSA-N 0 3 191.274 2.512 20 0 AFADHN c1coc(CN2CCCC3(CC3)C2)c1 335787298 352112529 /nfs/dbraw/zinc/11/25/29/352112529.db2.gz FLOKOWQRMFNSJO-UHFFFAOYSA-N 0 3 191.274 2.656 20 0 AFADHN C[C@@H]1C[C@H]1CN1Cc2ccccc2C1 336092754 352125435 /nfs/dbraw/zinc/12/54/35/352125435.db2.gz JKRNPEXTBGMEBQ-MFKMUULPSA-N 0 3 187.286 2.658 20 0 AFADHN C[C@@H]1C[C@@H]1CN1Cc2ccccc2C1 336092755 352125543 /nfs/dbraw/zinc/12/55/43/352125543.db2.gz JKRNPEXTBGMEBQ-ZWNOBZJWSA-N 0 3 187.286 2.658 20 0 AFADHN c1coc(CN2CCC3(CCC3)C2)c1 336471935 352142946 /nfs/dbraw/zinc/14/29/46/352142946.db2.gz HCSNHFPEIHXKFL-UHFFFAOYSA-N 0 3 191.274 2.656 20 0 AFADHN CCCCN(C)Cc1ccoc1C 379371121 352152951 /nfs/dbraw/zinc/15/29/51/352152951.db2.gz HGFLITKQXHMQEA-UHFFFAOYSA-N 0 3 181.279 2.820 20 0 AFADHN CC[C@H]1CCN1C/C=C(/C)Cl 528514186 352179222 /nfs/dbraw/zinc/17/92/22/352179222.db2.gz YGYPRFUQACXZBM-OTOXVQDCSA-N 0 3 173.687 2.613 20 0 AFADHN CCCCN(C)Cc1ccnc(C)c1 527535868 352167212 /nfs/dbraw/zinc/16/72/12/352167212.db2.gz WXKIPWMVYFQNGQ-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN C[C@@H](NCc1ccco1)[C@H]1CC12CC2 527841167 352171764 /nfs/dbraw/zinc/17/17/64/352171764.db2.gz AAHWDLNMJWJNET-MWLCHTKSSA-N 0 3 191.274 2.558 20 0 AFADHN CC[C@H](C)N[C@@H](C)c1ncccc1F 528036109 352175655 /nfs/dbraw/zinc/17/56/55/352175655.db2.gz NOJGEOUDXCHBPQ-IUCAKERBSA-N 0 3 196.269 2.670 20 0 AFADHN C/C(Cl)=C\CN1C2CCC1CC2 528347506 352176076 /nfs/dbraw/zinc/17/60/76/352176076.db2.gz FDBGEXYMSPHKFY-SOFGYWHQSA-N 0 3 185.698 2.756 20 0 AFADHN CCN(C/C=C(\C)Cl)C1CC1 528348415 352176304 /nfs/dbraw/zinc/17/63/04/352176304.db2.gz GXQAMYWCHJCSMT-SOFGYWHQSA-N 0 3 173.687 2.613 20 0 AFADHN C/C(Cl)=C\CN(C)[C@H](C)C1CC1 528344558 352176670 /nfs/dbraw/zinc/17/66/70/352176670.db2.gz JXPMYWISHVWGRP-BNICOGTQSA-N 0 3 187.714 2.859 20 0 AFADHN C/C(Cl)=C\CN(C)[C@@H](C)C1CC1 528344560 352176829 /nfs/dbraw/zinc/17/68/29/352176829.db2.gz JXPMYWISHVWGRP-ORZBULNSSA-N 0 3 187.714 2.859 20 0 AFADHN CCN(C/C=C(/C)Cl)C(C)C 528355376 352176843 /nfs/dbraw/zinc/17/68/43/352176843.db2.gz VVTHPATXOKFKOF-TWGQIWQCSA-N 0 3 175.703 2.859 20 0 AFADHN C/C(Cl)=C/CN(C)[C@@H](C)C1CC1 528344561 352176915 /nfs/dbraw/zinc/17/69/15/352176915.db2.gz JXPMYWISHVWGRP-XZLDQRQTSA-N 0 3 187.714 2.859 20 0 AFADHN CCN(C/C=C(\C)Cl)C(C)C 528355373 352177002 /nfs/dbraw/zinc/17/70/02/352177002.db2.gz VVTHPATXOKFKOF-RMKNXTFCSA-N 0 3 175.703 2.859 20 0 AFADHN C/C(Cl)=C/CN1C2CCC1CC2 528347508 352177020 /nfs/dbraw/zinc/17/70/20/352177020.db2.gz FDBGEXYMSPHKFY-VURMDHGXSA-N 0 3 185.698 2.756 20 0 AFADHN C/C(Cl)=C/CN(C)[C@H](C)C1CC1 528344559 352177033 /nfs/dbraw/zinc/17/70/33/352177033.db2.gz JXPMYWISHVWGRP-JGAIRUGNSA-N 0 3 187.714 2.859 20 0 AFADHN CCN(C/C=C(/C)Cl)C1CC1 528348418 352177050 /nfs/dbraw/zinc/17/70/50/352177050.db2.gz GXQAMYWCHJCSMT-VURMDHGXSA-N 0 3 173.687 2.613 20 0 AFADHN CC[C@H]1CCN(C/C=C(\C)Cl)C1 528400990 352177417 /nfs/dbraw/zinc/17/74/17/352177417.db2.gz SKKTWXGOOOLBRF-LLGDCAAFSA-N 0 3 187.714 2.861 20 0 AFADHN CC[C@@H]1CCN(C/C=C(/C)Cl)C1 528400992 352177458 /nfs/dbraw/zinc/17/74/58/352177458.db2.gz SKKTWXGOOOLBRF-ZUYFITGHSA-N 0 3 187.714 2.861 20 0 AFADHN CC[C@@H]1CCN(C/C=C(\C)Cl)C1 528400991 352177465 /nfs/dbraw/zinc/17/74/65/352177465.db2.gz SKKTWXGOOOLBRF-WXLQGSQKSA-N 0 3 187.714 2.861 20 0 AFADHN C/C(Cl)=C/CN1C[C@@H]2CCC[C@H]21 528425590 352177478 /nfs/dbraw/zinc/17/74/78/352177478.db2.gz NSIOHBSEYTZUJL-FGRQDEOASA-N 0 3 185.698 2.613 20 0 AFADHN C/C(Cl)=C\CN1C[C@H]2[C@@H](C1)C2(C)C 528388754 352177495 /nfs/dbraw/zinc/17/74/95/352177495.db2.gz JSJJMHPOKCYAJL-HDXDTZNISA-N 0 3 199.725 2.717 20 0 AFADHN C/C(Cl)=C/CN1C[C@H]2[C@@H](C1)C2(C)C 528388756 352177510 /nfs/dbraw/zinc/17/75/10/352177510.db2.gz JSJJMHPOKCYAJL-NOQGZOHOSA-N 0 3 199.725 2.717 20 0 AFADHN C/C(Cl)=C\CN1C[C@@H]2CCC[C@H]21 528425589 352177518 /nfs/dbraw/zinc/17/75/18/352177518.db2.gz NSIOHBSEYTZUJL-AIYFBYTFSA-N 0 3 185.698 2.613 20 0 AFADHN C/C(Cl)=C/CN(C)C1CCC1 528394356 352177528 /nfs/dbraw/zinc/17/75/28/352177528.db2.gz ZKNVSWXJAFVRIB-VURMDHGXSA-N 0 3 173.687 2.613 20 0 AFADHN C/C(Cl)=C/CN1CCC(C)(C)C1 528392814 352177575 /nfs/dbraw/zinc/17/75/75/352177575.db2.gz HNDCUJCDRMBRPB-WTKPLQERSA-N 0 3 187.714 2.861 20 0 AFADHN CCN(C/C=C(/C)Cl)CC1CC1 528383611 352177613 /nfs/dbraw/zinc/17/76/13/352177613.db2.gz YAVGSPZEFBFQKK-TWGQIWQCSA-N 0 3 187.714 2.861 20 0 AFADHN C/C(Cl)=C/CN1C[C@@H]2CCC[C@@H]21 528425591 352177753 /nfs/dbraw/zinc/17/77/53/352177753.db2.gz NSIOHBSEYTZUJL-VAJAEUGUSA-N 0 3 185.698 2.613 20 0 AFADHN CCN(C/C=C(\C)Cl)CC1CC1 528383608 352177912 /nfs/dbraw/zinc/17/79/12/352177912.db2.gz YAVGSPZEFBFQKK-RMKNXTFCSA-N 0 3 187.714 2.861 20 0 AFADHN C/C(Cl)=C\CN1CCC(C)(C)C1 528392811 352177963 /nfs/dbraw/zinc/17/79/63/352177963.db2.gz HNDCUJCDRMBRPB-RUDMXATFSA-N 0 3 187.714 2.861 20 0 AFADHN CC[C@H]1CCN(C/C=C(/C)Cl)C1 528400989 352178008 /nfs/dbraw/zinc/17/80/08/352178008.db2.gz SKKTWXGOOOLBRF-FWAPLPHYSA-N 0 3 187.714 2.861 20 0 AFADHN C/C(Cl)=C\CN(C)C1CCC1 528394354 352178014 /nfs/dbraw/zinc/17/80/14/352178014.db2.gz ZKNVSWXJAFVRIB-SOFGYWHQSA-N 0 3 173.687 2.613 20 0 AFADHN C/C(Cl)=C\CN1C[C@@H]2CCC[C@@H]21 528425592 352178035 /nfs/dbraw/zinc/17/80/35/352178035.db2.gz NSIOHBSEYTZUJL-VCQGXKKCSA-N 0 3 185.698 2.613 20 0 AFADHN C/C(Cl)=C\CN1[C@@H](C)C[C@H]1C 528482302 352178342 /nfs/dbraw/zinc/17/83/42/352178342.db2.gz HCAIEIJYWZPWGI-VXJQEGAJSA-N 0 3 173.687 2.612 20 0 AFADHN C/C(Cl)=C/CN1[C@@H](C)C[C@H]1C 528482300 352178931 /nfs/dbraw/zinc/17/89/31/352178931.db2.gz HCAIEIJYWZPWGI-SZGWWTLYSA-N 0 3 173.687 2.612 20 0 AFADHN CC1=CCCN(C/C=C(/C)Cl)C1 528489889 352179347 /nfs/dbraw/zinc/17/93/47/352179347.db2.gz RUFCMNJTDLFHQP-YHYXMXQVSA-N 0 3 185.698 2.781 20 0 AFADHN CC1=CCCN(C/C=C(\C)Cl)C1 528489886 352179633 /nfs/dbraw/zinc/17/96/33/352179633.db2.gz RUFCMNJTDLFHQP-BJMVGYQFSA-N 0 3 185.698 2.781 20 0 AFADHN C/C(Cl)=C\CN(C)C(C)(C)C 528537732 352179651 /nfs/dbraw/zinc/17/96/51/352179651.db2.gz MDAKZHCHDQUTAD-SOFGYWHQSA-N 0 3 175.703 2.859 20 0 AFADHN CC[C@@H]1CCN1C/C=C(/C)Cl 528514188 352179719 /nfs/dbraw/zinc/17/97/19/352179719.db2.gz YGYPRFUQACXZBM-USYJTPIQSA-N 0 3 173.687 2.613 20 0 AFADHN CC[C@@H]1CCN1C/C=C(\C)Cl 528514189 352179770 /nfs/dbraw/zinc/17/97/70/352179770.db2.gz YGYPRFUQACXZBM-VGANXODHSA-N 0 3 173.687 2.613 20 0 AFADHN C/C(Cl)=C/CN(C)C(C)(C)C 528537735 352179931 /nfs/dbraw/zinc/17/99/31/352179931.db2.gz MDAKZHCHDQUTAD-VURMDHGXSA-N 0 3 175.703 2.859 20 0 AFADHN CC[C@H]1CCN1C/C=C(\C)Cl 528514187 352179983 /nfs/dbraw/zinc/17/99/83/352179983.db2.gz YGYPRFUQACXZBM-SGDMMICCSA-N 0 3 173.687 2.613 20 0 AFADHN CCN(CC)Cc1sc(C)nc1C 607725689 352926366 /nfs/dbraw/zinc/92/63/66/352926366.db2.gz OIUZIFKJUMECKA-UHFFFAOYSA-N 0 3 198.335 2.602 20 0 AFADHN CC[C@@H]1CN(CC(C)C)C[C@@H](CC)O1 643253944 352941439 /nfs/dbraw/zinc/94/14/39/352941439.db2.gz HJGOESQCGGUXDC-VXGBXAGGSA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@H]1CN(CC(C)C)C[C@@H](CC)O1 643253943 352941454 /nfs/dbraw/zinc/94/14/54/352941454.db2.gz HJGOESQCGGUXDC-TXEJJXNPSA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@H]1CN(CC(C)C)C[C@H](CC)O1 643253942 352941483 /nfs/dbraw/zinc/94/14/83/352941483.db2.gz HJGOESQCGGUXDC-RYUDHWBXSA-N 0 3 199.338 2.532 20 0 AFADHN CCCCN1C[C@H](CC)O[C@H](CC)C1 643253950 352941550 /nfs/dbraw/zinc/94/15/50/352941550.db2.gz LZZYJVXMWUOFOP-TXEJJXNPSA-N 0 3 199.338 2.676 20 0 AFADHN CCCCN1C[C@H](CC)O[C@@H](CC)C1 643253949 352941689 /nfs/dbraw/zinc/94/16/89/352941689.db2.gz LZZYJVXMWUOFOP-RYUDHWBXSA-N 0 3 199.338 2.676 20 0 AFADHN CCCCN1C[C@@H](CC)O[C@H](CC)C1 643253951 352941779 /nfs/dbraw/zinc/94/17/79/352941779.db2.gz LZZYJVXMWUOFOP-VXGBXAGGSA-N 0 3 199.338 2.676 20 0 AFADHN CCN(Cc1ccno1)CC(C)(C)C 643409365 352951225 /nfs/dbraw/zinc/95/12/25/352951225.db2.gz LMFKMSPYKYHEEV-UHFFFAOYSA-N 0 3 196.294 2.543 20 0 AFADHN c1coc(CN[C@@H]2C[C@H]2C2CCC2)c1 643801054 353007338 /nfs/dbraw/zinc/00/73/38/353007338.db2.gz YDUZYJQUTZXPGV-NWDGAFQWSA-N 0 3 191.274 2.558 20 0 AFADHN CC[C@@H](C)NCc1c(F)cccc1F 19881875 371628017 /nfs/dbraw/zinc/62/80/17/371628017.db2.gz QOPZQNPAOWMDCG-MRVPVSSYSA-N 0 3 199.244 2.853 20 0 AFADHN CC[C@H](C)NCc1c(F)cccc1F 19881876 371628334 /nfs/dbraw/zinc/62/83/34/371628334.db2.gz QOPZQNPAOWMDCG-QMMMGPOBSA-N 0 3 199.244 2.853 20 0 AFADHN CC(C)N1CCc2sccc2C1 202091016 371703402 /nfs/dbraw/zinc/70/34/02/371703402.db2.gz DWVBKVDAGOTEDI-UHFFFAOYSA-N 0 3 181.304 2.515 20 0 AFADHN CN(Cc1ccsc1)C1CCC1 306928538 371768338 /nfs/dbraw/zinc/76/83/38/371768338.db2.gz YNSSEAAWKWNZLU-UHFFFAOYSA-N 0 3 181.304 2.732 20 0 AFADHN C[C@H](C1CC1)N(C)CCC(F)(F)F 379391102 371809386 /nfs/dbraw/zinc/80/93/86/371809386.db2.gz OWWBSUGFTCKDCL-SSDOTTSWSA-N 0 3 195.228 2.669 20 0 AFADHN C[C@@H](C1CC1)N(C)CCC(F)(F)F 379391103 371809552 /nfs/dbraw/zinc/80/95/52/371809552.db2.gz OWWBSUGFTCKDCL-ZETCQYMHSA-N 0 3 195.228 2.669 20 0 AFADHN Cc1ccoc1CN(C)C[C@@H]1C[C@@H]1C 644840779 371921312 /nfs/dbraw/zinc/92/13/12/371921312.db2.gz FBRKJAWVCFFKBO-QWRGUYRKSA-N 0 3 193.290 2.676 20 0 AFADHN Cc1ccoc1CN(C)C[C@H]1C[C@@H]1C 644840781 371921433 /nfs/dbraw/zinc/92/14/33/371921433.db2.gz FBRKJAWVCFFKBO-WDEREUQCSA-N 0 3 193.290 2.676 20 0 AFADHN Cc1ccoc1CN(C)CC1(C)CC1 644840895 371921585 /nfs/dbraw/zinc/92/15/85/371921585.db2.gz UMYVAQFQAFSQMZ-UHFFFAOYSA-N 0 3 193.290 2.820 20 0 AFADHN Cc1ccoc1CN(C)C[C@H]1C[C@H]1C 644840775 371921642 /nfs/dbraw/zinc/92/16/42/371921642.db2.gz FBRKJAWVCFFKBO-GHMZBOCLSA-N 0 3 193.290 2.676 20 0 AFADHN Cc1ccoc1CN(C)C[C@@H]1C[C@H]1C 644840778 371921670 /nfs/dbraw/zinc/92/16/70/371921670.db2.gz FBRKJAWVCFFKBO-MNOVXSKESA-N 0 3 193.290 2.676 20 0 AFADHN C[C@@H]1CCN(Cc2ccco2)[C@H](C)C1 644906096 371926615 /nfs/dbraw/zinc/92/66/15/371926615.db2.gz IVPFGZSNHURAPO-GHMZBOCLSA-N 0 3 193.290 2.900 20 0 AFADHN C[C@@H]1CN(CCCC(C)(C)C)CCO1 645219920 371955970 /nfs/dbraw/zinc/95/59/70/371955970.db2.gz ZXGZDNQJBDXNPR-LLVKDONJSA-N 0 3 199.338 2.533 20 0 AFADHN C[C@H]1CN(CCCC(C)(C)C)CCO1 645222532 371956217 /nfs/dbraw/zinc/95/62/17/371956217.db2.gz ZXGZDNQJBDXNPR-NSHDSACASA-N 0 3 199.338 2.533 20 0 AFADHN C[C@@H]1CN(CC2=CCCC2)CCS1 645792457 371966101 /nfs/dbraw/zinc/96/61/01/371966101.db2.gz ZJLMDUOPXAGSDN-SNVBAGLBSA-N 0 3 197.347 2.534 20 0 AFADHN C[C@@H]1CSCCN1CC1=CCCC1 645807223 371966936 /nfs/dbraw/zinc/96/69/36/371966936.db2.gz MYMCANZCEHDKRY-SNVBAGLBSA-N 0 3 197.347 2.534 20 0 AFADHN C[C@H]1CSCCN1CC1=CCCC1 645807222 371967009 /nfs/dbraw/zinc/96/70/09/371967009.db2.gz MYMCANZCEHDKRY-JTQLQIEISA-N 0 3 197.347 2.534 20 0 AFADHN CCNC1(c2ccccc2Cl)CC1 645976435 371973793 /nfs/dbraw/zinc/97/37/93/371973793.db2.gz BGTUCTIJEFOBPM-UHFFFAOYSA-N 0 3 195.693 2.939 20 0 AFADHN CC(C)CCN(C)Cc1ccccn1 201486978 375408161 /nfs/dbraw/zinc/40/81/61/375408161.db2.gz QXBSDZMFBFIOQL-UHFFFAOYSA-N 0 3 192.306 2.560 20 0 AFADHN Cc1cc(C)c([C@H](N)CF)c(C)c1 238547110 375429514 /nfs/dbraw/zinc/42/95/14/375429514.db2.gz DWAVRSBCPJPANZ-SNVBAGLBSA-N 0 3 181.254 2.581 20 0 AFADHN CCCN(CCC(F)(F)F)C1CC1 388361835 375498900 /nfs/dbraw/zinc/49/89/00/375498900.db2.gz TVGXVLNPYFPULE-UHFFFAOYSA-N 0 3 195.228 2.813 20 0 AFADHN CC/C=C\CNCc1cc(C)ns1 404423615 375532567 /nfs/dbraw/zinc/53/25/67/375532567.db2.gz VQALOHWRZVYQDR-PLNGDYQASA-N 0 3 196.319 2.507 20 0 AFADHN CC/C=C/CNCc1cc(C)ns1 404423616 375532673 /nfs/dbraw/zinc/53/26/73/375532673.db2.gz VQALOHWRZVYQDR-SNAWJCMRSA-N 0 3 196.319 2.507 20 0 AFADHN CCCCCNCc1cc(C)ns1 404444090 375532839 /nfs/dbraw/zinc/53/28/39/375532839.db2.gz JIUDJGLTFDUUGB-UHFFFAOYSA-N 0 3 198.335 2.731 20 0 AFADHN CCC[C@@H](C)NCc1cc(C)ns1 404442434 375532908 /nfs/dbraw/zinc/53/29/08/375532908.db2.gz ICIJKOLJOXMPEM-MRVPVSSYSA-N 0 3 198.335 2.730 20 0 AFADHN CCC[C@H](C)NCc1cc(C)ns1 404442435 375533106 /nfs/dbraw/zinc/53/31/06/375533106.db2.gz ICIJKOLJOXMPEM-QMMMGPOBSA-N 0 3 198.335 2.730 20 0 AFADHN Cc1cc(CNCC(C)(C)C)sn1 404473209 375533948 /nfs/dbraw/zinc/53/39/48/375533948.db2.gz NOEYWAADIWADOD-UHFFFAOYSA-N 0 3 198.335 2.587 20 0 AFADHN CC(C)=CCNCc1cc(C)ns1 404482351 375534233 /nfs/dbraw/zinc/53/42/33/375534233.db2.gz XUBQWEBFGWSONR-UHFFFAOYSA-N 0 3 196.319 2.507 20 0 AFADHN Cc1cc(CNCCC(C)C)sn1 404481177 375534454 /nfs/dbraw/zinc/53/44/54/375534454.db2.gz WNKZWXNFICLLTK-UHFFFAOYSA-N 0 3 198.335 2.587 20 0 AFADHN N[C@@H](CF)c1ccc(C2CC2)cc1 521400329 375543877 /nfs/dbraw/zinc/54/38/77/375543877.db2.gz FSGXLUWAKJMCJH-NSHDSACASA-N 0 3 179.238 2.533 20 0 AFADHN Cc1ccc([C@@H](N)CF)c(Cl)c1 521400349 375543977 /nfs/dbraw/zinc/54/39/77/375543977.db2.gz GIOYRAOBLYFYBD-VIFPVBQESA-N 0 3 187.645 2.618 20 0 AFADHN Cc1ccc([C@H](N)CF)c(Cl)c1 521400348 375544020 /nfs/dbraw/zinc/54/40/20/375544020.db2.gz GIOYRAOBLYFYBD-SECBINFHSA-N 0 3 187.645 2.618 20 0 AFADHN N[C@H](CF)c1ccc(C2CC2)cc1 521400328 375544036 /nfs/dbraw/zinc/54/40/36/375544036.db2.gz FSGXLUWAKJMCJH-LLVKDONJSA-N 0 3 179.238 2.533 20 0 AFADHN CCN1CC[C@H](c2ccccc2F)C1 592981237 375562535 /nfs/dbraw/zinc/56/25/35/375562535.db2.gz GFYFLWZTAYSOMZ-JTQLQIEISA-N 0 3 193.265 2.635 20 0 AFADHN CCN1CC[C@@H](c2ccccc2F)C1 592981238 375562765 /nfs/dbraw/zinc/56/27/65/375562765.db2.gz GFYFLWZTAYSOMZ-SNVBAGLBSA-N 0 3 193.265 2.635 20 0 AFADHN CN(CCC(C)(C)C)Cc1ccno1 646027272 375570441 /nfs/dbraw/zinc/57/04/41/375570441.db2.gz BVHDBZBTMFNHLR-UHFFFAOYSA-N 0 3 196.294 2.543 20 0 AFADHN CCN(CC)Cc1ccsc1C 646046527 375571408 /nfs/dbraw/zinc/57/14/08/375571408.db2.gz XICFHLZAJCBKEI-UHFFFAOYSA-N 0 3 183.320 2.898 20 0 AFADHN CCCN(C)Cc1ccsc1C 646051522 375572133 /nfs/dbraw/zinc/57/21/33/375572133.db2.gz XRNDSSUJNBVHNI-UHFFFAOYSA-N 0 3 183.320 2.898 20 0 AFADHN CN(CCC(F)(F)F)C(C)(C)C 646087644 375574935 /nfs/dbraw/zinc/57/49/35/375574935.db2.gz LYHMHYDWWWWZPD-UHFFFAOYSA-N 0 3 183.217 2.669 20 0 AFADHN Cc1ccnc(CN(C)C(C)(C)C)c1 646088497 375575055 /nfs/dbraw/zinc/57/50/55/375575055.db2.gz ANVQCHBZAXNTCE-UHFFFAOYSA-N 0 3 192.306 2.620 20 0 AFADHN CCC(C)(C)N(C)Cc1conc1C 646079335 375575359 /nfs/dbraw/zinc/57/53/59/375575359.db2.gz UYUBZCVKFGTOCE-UHFFFAOYSA-N 0 3 196.294 2.603 20 0 AFADHN CCN(CC)Cc1cccc(C)c1F 648347579 375709290 /nfs/dbraw/zinc/70/92/90/375709290.db2.gz JIMIKJAGDOUORY-UHFFFAOYSA-N 0 3 195.281 2.976 20 0 AFADHN Cc1cccc(CN(C)C(C)C)c1F 648347798 375709180 /nfs/dbraw/zinc/70/91/80/375709180.db2.gz TXXWUYCNKXMGLB-UHFFFAOYSA-N 0 3 195.281 2.974 20 0 AFADHN CCCCN(C)Cc1ccncc1C 648347621 375709287 /nfs/dbraw/zinc/70/92/87/375709287.db2.gz DWPLMCZCJDEUNC-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN CCCN(C)Cc1cccc(C)c1F 648356439 375710140 /nfs/dbraw/zinc/71/01/40/375710140.db2.gz NAFHKULRXKWDAC-UHFFFAOYSA-N 0 3 195.281 2.976 20 0 AFADHN CCCN(C)Cc1csc(C)c1 648356465 375711069 /nfs/dbraw/zinc/71/10/69/375711069.db2.gz XTIDCWAXMZBHBV-UHFFFAOYSA-N 0 3 183.320 2.898 20 0 AFADHN CCCCCNCc1ccncc1F 648402715 375712286 /nfs/dbraw/zinc/71/22/86/375712286.db2.gz ISGFFDQYOBKTOL-UHFFFAOYSA-N 0 3 196.269 2.501 20 0 AFADHN Cc1cc(CN2CC=CCC2)cs1 648504983 375716305 /nfs/dbraw/zinc/71/63/05/375716305.db2.gz GRSXHQVBFACNPJ-UHFFFAOYSA-N 0 3 193.315 2.818 20 0 AFADHN CC(C)N(CCC(C)(C)C)C1COC1 648606454 375721638 /nfs/dbraw/zinc/72/16/38/375721638.db2.gz FXAMAUQITQVRHB-UHFFFAOYSA-N 0 3 199.338 2.532 20 0 AFADHN CCC(CC)CN(C(C)C)C1COC1 648606313 375722197 /nfs/dbraw/zinc/72/21/97/375722197.db2.gz CKGTXOGJDUJKRQ-UHFFFAOYSA-N 0 3 199.338 2.532 20 0 AFADHN CC(C)CCCN(C(C)C)C1COC1 648606484 375723136 /nfs/dbraw/zinc/72/31/36/375723136.db2.gz ZUDIVACLONSJIU-UHFFFAOYSA-N 0 3 199.338 2.532 20 0 AFADHN CC1CCC(CN2CC[C@H](F)C2)CC1 648642309 375727947 /nfs/dbraw/zinc/72/79/47/375727947.db2.gz XPDANHZRGUDKFF-MCIGGMRASA-N 0 3 199.313 2.857 20 0 AFADHN CC1CCC(CN2CC[C@@H](F)C2)CC1 648642308 375728377 /nfs/dbraw/zinc/72/83/77/375728377.db2.gz XPDANHZRGUDKFF-HTAVTVPLSA-N 0 3 199.313 2.857 20 0 AFADHN CC(C)C[C@@H](C)CN1CC[C@H](F)C1 648721120 375737208 /nfs/dbraw/zinc/73/72/08/375737208.db2.gz CZTBOFIRRBBKDY-MNOVXSKESA-N 0 3 187.302 2.712 20 0 AFADHN F[C@H]1CCN(CC2CCCCC2)C1 648720668 375737265 /nfs/dbraw/zinc/73/72/65/375737265.db2.gz MSPCLAUXCBQTBU-NSHDSACASA-N 0 3 185.286 2.611 20 0 AFADHN C[C@@H]1CCC[C@@H](CN2CC[C@@H](F)C2)C1 648721643 375737275 /nfs/dbraw/zinc/73/72/75/375737275.db2.gz ZOAUZHZPBLKFRI-IJLUTSLNSA-N 0 3 199.313 2.857 20 0 AFADHN C[C@H]1CCC[C@H](CN2CC[C@@H](F)C2)C1 648721645 375737290 /nfs/dbraw/zinc/73/72/90/375737290.db2.gz ZOAUZHZPBLKFRI-SDDRHHMPSA-N 0 3 199.313 2.857 20 0 AFADHN C[C@@H]1CCC[C@H](CN2CC[C@@H](F)C2)C1 648721642 375737299 /nfs/dbraw/zinc/73/72/99/375737299.db2.gz ZOAUZHZPBLKFRI-GRYCIOLGSA-N 0 3 199.313 2.857 20 0 AFADHN CC(C)C[C@H](C)CN1CC[C@@H](F)C1 648721599 375737339 /nfs/dbraw/zinc/73/73/39/375737339.db2.gz CZTBOFIRRBBKDY-WDEREUQCSA-N 0 3 187.302 2.712 20 0 AFADHN C[C@@H]1CCC[C@@H](CN2CC[C@H](F)C2)C1 648721173 375737363 /nfs/dbraw/zinc/73/73/63/375737363.db2.gz ZOAUZHZPBLKFRI-UTUOFQBUSA-N 0 3 199.313 2.857 20 0 AFADHN F[C@@H]1CCN(CC2CCCCC2)C1 648721614 375737509 /nfs/dbraw/zinc/73/75/09/375737509.db2.gz MSPCLAUXCBQTBU-LLVKDONJSA-N 0 3 185.286 2.611 20 0 AFADHN C[C@H]1CCC[C@@H](CN2CC[C@@H](F)C2)C1 648721644 375737569 /nfs/dbraw/zinc/73/75/69/375737569.db2.gz ZOAUZHZPBLKFRI-QJPTWQEYSA-N 0 3 199.313 2.857 20 0 AFADHN CC(C)C[C@@H](C)CN1CC[C@@H](F)C1 648721598 375737744 /nfs/dbraw/zinc/73/77/44/375737744.db2.gz CZTBOFIRRBBKDY-GHMZBOCLSA-N 0 3 187.302 2.712 20 0 AFADHN C[C@H]1CCC[C@H](CN2CC[C@H](F)C2)C1 648721171 375737829 /nfs/dbraw/zinc/73/78/29/375737829.db2.gz ZOAUZHZPBLKFRI-SRVKXCTJSA-N 0 3 199.313 2.857 20 0 AFADHN C[C@@H]1CCC[C@H](CN2CC[C@H](F)C2)C1 648721174 375737890 /nfs/dbraw/zinc/73/78/90/375737890.db2.gz ZOAUZHZPBLKFRI-WOPDTQHZSA-N 0 3 199.313 2.857 20 0 AFADHN C[C@H]1CCC[C@@H](CN2CC[C@H](F)C2)C1 648721172 375737918 /nfs/dbraw/zinc/73/79/18/375737918.db2.gz ZOAUZHZPBLKFRI-TUAOUCFPSA-N 0 3 199.313 2.857 20 0 AFADHN CC(C)C[C@H](C)CN1CC[C@H](F)C1 648721121 375738172 /nfs/dbraw/zinc/73/81/72/375738172.db2.gz CZTBOFIRRBBKDY-QWRGUYRKSA-N 0 3 187.302 2.712 20 0 AFADHN CC(C)[C@@H]1C[C@H]1CNCc1ccco1 648767306 375745172 /nfs/dbraw/zinc/74/51/72/375745172.db2.gz BFHDMGUJSLDKIC-JQWIXIFHSA-N 0 3 193.290 2.661 20 0 AFADHN CCC1(N[C@H](C)c2ccco2)CC1 651395811 409325795 /nfs/dbraw/zinc/32/57/95/409325795.db2.gz ZBRKWOHSMGAHQW-SECBINFHSA-N 0 3 179.263 2.873 20 0 AFADHN CCC1(N[C@@H](C)c2ccco2)CC1 651395812 409326521 /nfs/dbraw/zinc/32/65/21/409326521.db2.gz ZBRKWOHSMGAHQW-VIFPVBQESA-N 0 3 179.263 2.873 20 0 AFADHN CCC1(N[C@@H](C)c2ccoc2)CC1 651396569 409328565 /nfs/dbraw/zinc/32/85/65/409328565.db2.gz MTJPSAODBROMSP-VIFPVBQESA-N 0 3 179.263 2.873 20 0 AFADHN CCC1(N[C@H](C)c2ccccn2)CC1 651396638 409328850 /nfs/dbraw/zinc/32/88/50/409328850.db2.gz XPVBNSPXXBBUSM-SNVBAGLBSA-N 0 3 190.290 2.675 20 0 AFADHN CCC1(N[C@@H](C)c2cncs2)CC1 651396621 409328795 /nfs/dbraw/zinc/32/87/95/409328795.db2.gz UFFOSIDDVTZIOQ-QMMMGPOBSA-N 0 3 196.319 2.736 20 0 AFADHN CCC1(N[C@H](C)c2ccoc2)CC1 651396568 409328866 /nfs/dbraw/zinc/32/88/66/409328866.db2.gz MTJPSAODBROMSP-SECBINFHSA-N 0 3 179.263 2.873 20 0 AFADHN CCC1(N[C@@H](C)c2ccccn2)CC1 651396637 409328999 /nfs/dbraw/zinc/32/89/99/409328999.db2.gz XPVBNSPXXBBUSM-JTQLQIEISA-N 0 3 190.290 2.675 20 0 AFADHN CCC1(N[C@H](C)c2cncs2)CC1 651396620 409329093 /nfs/dbraw/zinc/32/90/93/409329093.db2.gz UFFOSIDDVTZIOQ-MRVPVSSYSA-N 0 3 196.319 2.736 20 0 AFADHN CCC1CN(Cc2ccc(C)cc2)C1 651610564 409334138 /nfs/dbraw/zinc/33/41/38/409334138.db2.gz MJKJZXTWXQZXJK-UHFFFAOYSA-N 0 3 189.302 2.837 20 0 AFADHN CCC1CN(Cc2sccc2C)C1 651610663 409334244 /nfs/dbraw/zinc/33/42/44/409334244.db2.gz WZWFYCRVTYTFCJ-UHFFFAOYSA-N 0 3 195.331 2.898 20 0 AFADHN CCC1CN(Cc2cccc(C)c2)C1 651610581 409334788 /nfs/dbraw/zinc/33/47/88/409334788.db2.gz OQJRDJKFAFRLAQ-UHFFFAOYSA-N 0 3 189.302 2.837 20 0 AFADHN CCC1CN(Cc2ccsc2C)C1 651609454 409335097 /nfs/dbraw/zinc/33/50/97/409335097.db2.gz PCMHJNIRQZUDLG-UHFFFAOYSA-N 0 3 195.331 2.898 20 0 AFADHN CCC1CN(Cc2ccc(C)s2)C1 651610638 409335570 /nfs/dbraw/zinc/33/55/70/409335570.db2.gz TYIWZPJLNHWKCV-UHFFFAOYSA-N 0 3 195.331 2.898 20 0 AFADHN CCc1cccc(CN[C@H](C)CF)c1 651811946 409339188 /nfs/dbraw/zinc/33/91/88/409339188.db2.gz DDTXFCMSWPMIKP-SNVBAGLBSA-N 0 3 195.281 2.697 20 0 AFADHN CCc1cccc(CN[C@@H](C)CF)c1 651811945 409339659 /nfs/dbraw/zinc/33/96/59/409339659.db2.gz DDTXFCMSWPMIKP-JTQLQIEISA-N 0 3 195.281 2.697 20 0 AFADHN CC(C)CCCNCc1ccccn1 37985062 409340788 /nfs/dbraw/zinc/34/07/88/409340788.db2.gz BEDRZRZBBAYSFO-UHFFFAOYSA-N 0 3 192.306 2.607 20 0 AFADHN c1coc(CNC2(C3CCC3)CC2)c1 651959590 409342695 /nfs/dbraw/zinc/34/26/95/409342695.db2.gz TTXWWCZZLJJRHR-UHFFFAOYSA-N 0 3 191.274 2.702 20 0 AFADHN CCCN(C)Cc1cccs1 41392532 409349654 /nfs/dbraw/zinc/34/96/54/409349654.db2.gz KYKMEXCESBRMRT-UHFFFAOYSA-N 0 3 169.293 2.590 20 0 AFADHN F[C@@H]1CCCN(C[C@@H]2CC=CCC2)C1 652076976 409349936 /nfs/dbraw/zinc/34/99/36/409349936.db2.gz IPVBORKGUQLTSG-VXGBXAGGSA-N 0 3 197.297 2.777 20 0 AFADHN CCC(CC)CN1CCC[C@H](F)C1 652077137 409350077 /nfs/dbraw/zinc/35/00/77/409350077.db2.gz PUOJBAVQIONRJG-NSHDSACASA-N 0 3 187.302 2.857 20 0 AFADHN F[C@H]1CCCN(C[C@H]2CC=CCC2)C1 652076975 409350314 /nfs/dbraw/zinc/35/03/14/409350314.db2.gz IPVBORKGUQLTSG-RYUDHWBXSA-N 0 3 197.297 2.777 20 0 AFADHN CCC(CC)CN1CCC[C@@H](F)C1 652077136 409350629 /nfs/dbraw/zinc/35/06/29/409350629.db2.gz PUOJBAVQIONRJG-LLVKDONJSA-N 0 3 187.302 2.857 20 0 AFADHN F[C@H]1CCCN(C[C@@H]2CC=CCC2)C1 652076973 409351217 /nfs/dbraw/zinc/35/12/17/409351217.db2.gz IPVBORKGUQLTSG-NEPJUHHUSA-N 0 3 197.297 2.777 20 0 AFADHN F[C@@H]1CCCN(C[C@H]2CC=CCC2)C1 652076974 409351249 /nfs/dbraw/zinc/35/12/49/409351249.db2.gz IPVBORKGUQLTSG-NWDGAFQWSA-N 0 3 197.297 2.777 20 0 AFADHN CCCN(Cc1cc(C)no1)C(C)C 653796931 409377582 /nfs/dbraw/zinc/37/75/82/409377582.db2.gz AUSHXYONIZTDOP-UHFFFAOYSA-N 0 3 196.294 2.603 20 0 AFADHN CC[C@@H](C)COc1ccccc1CN 50423197 409379170 /nfs/dbraw/zinc/37/91/70/409379170.db2.gz UMHAXWHDLQUXRA-SNVBAGLBSA-N 0 3 193.290 2.570 20 0 AFADHN CC[C@H](C)COc1ccccc1CN 50423198 409380127 /nfs/dbraw/zinc/38/01/27/409380127.db2.gz UMHAXWHDLQUXRA-JTQLQIEISA-N 0 3 193.290 2.570 20 0 AFADHN CC[C@@H](C)CNCc1ccc(C)o1 53036152 409384078 /nfs/dbraw/zinc/38/40/78/409384078.db2.gz BPQBLWTWIAHTSI-SECBINFHSA-N 0 3 181.279 2.724 20 0 AFADHN CCc1nc(CN[C@@H](C)CC)cs1 54918046 409393458 /nfs/dbraw/zinc/39/34/58/409393458.db2.gz WPSFRTUBLPBRDK-QMMMGPOBSA-N 0 3 198.335 2.594 20 0 AFADHN CCCCNCc1csc(CC)n1 54918072 409393495 /nfs/dbraw/zinc/39/34/95/409393495.db2.gz JOLWRSHEIFHUPM-UHFFFAOYSA-N 0 3 198.335 2.595 20 0 AFADHN CCc1nc(CN[C@H](C)CC)cs1 54918047 409396278 /nfs/dbraw/zinc/39/62/78/409396278.db2.gz WPSFRTUBLPBRDK-MRVPVSSYSA-N 0 3 198.335 2.594 20 0 AFADHN CCCN(C)Cc1ccccc1OC 59664903 409398456 /nfs/dbraw/zinc/39/84/56/409398456.db2.gz OEUASAAIAVOOMZ-UHFFFAOYSA-N 0 3 193.290 2.537 20 0 AFADHN Cc1occc1CNC1(C)CC=CC1 655815669 409417733 /nfs/dbraw/zinc/41/77/33/409417733.db2.gz FPJSOHBJFOGTEK-UHFFFAOYSA-N 0 3 191.274 2.786 20 0 AFADHN Cc1ccoc1CNC1(C)CC=CC1 655813735 409418116 /nfs/dbraw/zinc/41/81/16/409418116.db2.gz AIOUQWWAGMWXRR-UHFFFAOYSA-N 0 3 191.274 2.786 20 0 AFADHN Cc1ccc(CNC2(C)CC=CC2)o1 655815089 409418541 /nfs/dbraw/zinc/41/85/41/409418541.db2.gz UVZXAQNFZQUQHX-UHFFFAOYSA-N 0 3 191.274 2.786 20 0 AFADHN C[C@@H](N[C@H](C)C1CC1)c1nccs1 70633964 409432963 /nfs/dbraw/zinc/43/29/63/409432963.db2.gz FGJBFCPQTSUHAF-HTQZYQBOSA-N 0 3 196.319 2.592 20 0 AFADHN C[C@H](N[C@H](C)C1CC1)c1nccs1 70633963 409433458 /nfs/dbraw/zinc/43/34/58/409433458.db2.gz FGJBFCPQTSUHAF-SFYZADRCSA-N 0 3 196.319 2.592 20 0 AFADHN CCC(CC)CN1CC(C(F)F)C1 656691057 409447729 /nfs/dbraw/zinc/44/77/29/409447729.db2.gz VHTHRQFJSPFMAW-UHFFFAOYSA-N 0 3 191.265 2.620 20 0 AFADHN CCC1(C)CN(Cc2cccs2)C1 656799359 409452463 /nfs/dbraw/zinc/45/24/63/409452463.db2.gz OBTRZPULIXHEFK-UHFFFAOYSA-N 0 3 195.331 2.980 20 0 AFADHN CN(Cc1ccco1)C1CC(C)(C)C1 657189380 409459678 /nfs/dbraw/zinc/45/96/78/409459678.db2.gz DITWXPADTZEYGE-UHFFFAOYSA-N 0 3 193.290 2.900 20 0 AFADHN Cc1ccoc1CN[C@]12CCC[C@H]1C2 657551651 409481230 /nfs/dbraw/zinc/48/12/30/409481230.db2.gz PKOWBLDHCWISGS-JQWIXIFHSA-N 0 3 191.274 2.620 20 0 AFADHN Cc1occc1CN[C@@]12CCC[C@@H]1C2 657551976 409481361 /nfs/dbraw/zinc/48/13/61/409481361.db2.gz MDHCTPZQWQQYOC-VXGBXAGGSA-N 0 3 191.274 2.620 20 0 AFADHN Cc1ccoc1CN[C@@]12CCC[C@@H]1C2 657551656 409481397 /nfs/dbraw/zinc/48/13/97/409481397.db2.gz PKOWBLDHCWISGS-ZYHUDNBSSA-N 0 3 191.274 2.620 20 0 AFADHN Cc1ccc(CN[C@@]23CCC[C@@H]2C3)o1 657553222 409481617 /nfs/dbraw/zinc/48/16/17/409481617.db2.gz VEGDWPRQFLPTEK-ZYHUDNBSSA-N 0 3 191.274 2.620 20 0 AFADHN Cc1ccc(CN[C@]23CCC[C@H]2C3)o1 657553216 409481794 /nfs/dbraw/zinc/48/17/94/409481794.db2.gz VEGDWPRQFLPTEK-JQWIXIFHSA-N 0 3 191.274 2.620 20 0 AFADHN Cc1occc1CN[C@]12CCC[C@H]1C2 657551975 409481737 /nfs/dbraw/zinc/48/17/37/409481737.db2.gz MDHCTPZQWQQYOC-RYUDHWBXSA-N 0 3 191.274 2.620 20 0 AFADHN Cc1cccc(CNCC2CC2)c1F 131898980 409486688 /nfs/dbraw/zinc/48/66/88/409486688.db2.gz RWEBJJKJXPUYAX-UHFFFAOYSA-N 0 3 193.265 2.634 20 0 AFADHN Cc1ccoc1CNCCC(C)(C)F 657645500 409488045 /nfs/dbraw/zinc/48/80/45/409488045.db2.gz YJGZVFXVMZKYAP-UHFFFAOYSA-N 0 3 199.269 2.816 20 0 AFADHN CC(C)(F)CCNCc1ccco1 657644604 409488193 /nfs/dbraw/zinc/48/81/93/409488193.db2.gz QKCACUWHUAGJMV-UHFFFAOYSA-N 0 3 185.242 2.507 20 0 AFADHN Cc1ccc(CNCCC(C)(C)F)o1 657644454 409488490 /nfs/dbraw/zinc/48/84/90/409488490.db2.gz KDZCTADFHFEGNG-UHFFFAOYSA-N 0 3 199.269 2.816 20 0 AFADHN Cc1occc1CNCCC(C)(C)F 657646159 409488573 /nfs/dbraw/zinc/48/85/73/409488573.db2.gz WOZKRGFCVYDSKJ-UHFFFAOYSA-N 0 3 199.269 2.816 20 0 AFADHN c1coc(CNCCCC2CCC2)c1 657663789 409490059 /nfs/dbraw/zinc/49/00/59/409490059.db2.gz CNDOZFBCONVDCQ-UHFFFAOYSA-N 0 3 193.290 2.950 20 0 AFADHN CC1(C)C[C@@]1(C)NCc1ccco1 657760117 409490911 /nfs/dbraw/zinc/49/09/11/409490911.db2.gz CDJYCWFLLVGZJU-LLVKDONJSA-N 0 3 179.263 2.558 20 0 AFADHN CC1(C)C[C@]1(C)NCc1ccco1 657760118 409491236 /nfs/dbraw/zinc/49/12/36/409491236.db2.gz CDJYCWFLLVGZJU-NSHDSACASA-N 0 3 179.263 2.558 20 0 AFADHN Cc1ccc(CN[C@]2(C)CC2(C)C)o1 657760349 409491592 /nfs/dbraw/zinc/49/15/92/409491592.db2.gz HDCASRYEBYRGFP-GFCCVEGCSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1occc1CNCC1=CCCC1 657749358 409491817 /nfs/dbraw/zinc/49/18/17/409491817.db2.gz ABMVFKRWJXRCSO-UHFFFAOYSA-N 0 3 191.274 2.788 20 0 AFADHN Cc1ccc(CN[C@@]2(C)CC2(C)C)o1 657760350 409491825 /nfs/dbraw/zinc/49/18/25/409491825.db2.gz HDCASRYEBYRGFP-LBPRGKRZSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1occc1CN[C@]1(C)CC1(C)C 657762238 409492892 /nfs/dbraw/zinc/49/28/92/409492892.db2.gz YEXMTMKQYALZLA-GFCCVEGCSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccoc1CN[C@@]1(C)CC1(C)C 657762264 409493586 /nfs/dbraw/zinc/49/35/86/409493586.db2.gz ZCYSTQRLUSDRTN-LBPRGKRZSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1occc1CN[C@@]1(C)CC1(C)C 657762239 409493717 /nfs/dbraw/zinc/49/37/17/409493717.db2.gz YEXMTMKQYALZLA-LBPRGKRZSA-N 0 3 193.290 2.866 20 0 AFADHN CC(C)CC1(NCc2ccco2)CC1 657775398 409494004 /nfs/dbraw/zinc/49/40/04/409494004.db2.gz OTXBIOAHICAFGP-UHFFFAOYSA-N 0 3 193.290 2.948 20 0 AFADHN Cc1ccoc1CN[C@]1(C)CC1(C)C 657762263 409494218 /nfs/dbraw/zinc/49/42/18/409494218.db2.gz ZCYSTQRLUSDRTN-GFCCVEGCSA-N 0 3 193.290 2.866 20 0 AFADHN C[C@@H]1CCCN(Cc2ccco2)C1 200873737 409509494 /nfs/dbraw/zinc/50/94/94/409509494.db2.gz TZZSJPCAHSZTHL-SNVBAGLBSA-N 0 3 179.263 2.512 20 0 AFADHN C[C@H]1CCCN(Cc2ccco2)C1 200873767 409509604 /nfs/dbraw/zinc/50/96/04/409509604.db2.gz TZZSJPCAHSZTHL-JTQLQIEISA-N 0 3 179.263 2.512 20 0 AFADHN CCCCN(CC)Cc1ccco1 219747652 409515972 /nfs/dbraw/zinc/51/59/72/409515972.db2.gz KOUCAWHFIHJDTB-UHFFFAOYSA-N 0 3 181.279 2.902 20 0 AFADHN CC(C)CN1CCc2sccc2C1 659158333 409526493 /nfs/dbraw/zinc/52/64/93/409526493.db2.gz MBCBSCQQKIDSRW-UHFFFAOYSA-N 0 3 195.331 2.762 20 0 AFADHN CN(CCC1CCC1)Cc1ccco1 659815189 409543716 /nfs/dbraw/zinc/54/37/16/409543716.db2.gz BNOUFMPDLJVXIM-UHFFFAOYSA-N 0 3 193.290 2.902 20 0 AFADHN CN(Cc1ccco1)CC1CC=CC1 659815177 409545340 /nfs/dbraw/zinc/54/53/40/409545340.db2.gz BKUOQTUOWFEQFE-UHFFFAOYSA-N 0 3 191.274 2.678 20 0 AFADHN C1CC(CCCN2CCSCC2)C1 659843589 409552642 /nfs/dbraw/zinc/55/26/42/409552642.db2.gz WRYZAYREUHXODQ-UHFFFAOYSA-N 0 3 199.363 2.616 20 0 AFADHN CN(CCC1CCC1)Cc1ccoc1 659852507 409555451 /nfs/dbraw/zinc/55/54/51/409555451.db2.gz OYEMSVVAZSSLSV-UHFFFAOYSA-N 0 3 193.290 2.902 20 0 AFADHN CN(Cc1ccoc1)CC1CC=CC1 659853664 409556917 /nfs/dbraw/zinc/55/69/17/409556917.db2.gz VBNCOPDJLJRPIA-UHFFFAOYSA-N 0 3 191.274 2.678 20 0 AFADHN c1coc(CN[C@@H]2CCC[C@@H]3C[C@@H]32)c1 306365891 409560846 /nfs/dbraw/zinc/56/08/46/409560846.db2.gz AZTXRZSLMKRGGC-ADEWGFFLSA-N 0 3 191.274 2.558 20 0 AFADHN CC(F)(F)CCNCc1ccccc1 306391113 409563823 /nfs/dbraw/zinc/56/38/23/409563823.db2.gz YUKOCVIHXYILOD-UHFFFAOYSA-N 0 3 199.244 2.822 20 0 AFADHN C1=CCC(CN2Cc3ccccc3C2)C1 659904373 409564423 /nfs/dbraw/zinc/56/44/23/409564423.db2.gz NFVDUHQSNNDEAX-UHFFFAOYSA-N 0 3 199.297 2.968 20 0 AFADHN Cc1cc(CN[C@@H]2CC2(C)C)cs1 306459158 409570473 /nfs/dbraw/zinc/57/04/73/409570473.db2.gz BPTDKAGQIBIZLR-SNVBAGLBSA-N 0 3 195.331 2.945 20 0 AFADHN Cc1cc(CN[C@H]2CC2(C)C)cs1 306459157 409570569 /nfs/dbraw/zinc/57/05/69/409570569.db2.gz BPTDKAGQIBIZLR-JTQLQIEISA-N 0 3 195.331 2.945 20 0 AFADHN Cc1cc(F)c(CNC(C)C)c(F)c1 306616257 409578942 /nfs/dbraw/zinc/57/89/42/409578942.db2.gz QAOTWIUWVSJOBB-UHFFFAOYSA-N 0 3 199.244 2.771 20 0 AFADHN FC1=CCCN(CC2CC=CC2)C1 660167616 409583309 /nfs/dbraw/zinc/58/33/09/409583309.db2.gz XEFGPMKNXSYPBI-UHFFFAOYSA-N 0 3 181.254 2.512 20 0 AFADHN Cc1nocc1CN(C(C)C)C(C)C 660168462 409584116 /nfs/dbraw/zinc/58/41/16/409584116.db2.gz SEYXACOBJYJMGT-UHFFFAOYSA-N 0 3 196.294 2.602 20 0 AFADHN F[C@H]1CCN(CCCC2CCC2)C1 660693068 409616536 /nfs/dbraw/zinc/61/65/36/409616536.db2.gz WBKRQCODHWCVHW-NSHDSACASA-N 0 3 185.286 2.611 20 0 AFADHN F[C@@H]1CCN(CCCC2CCC2)C1 660693062 409617016 /nfs/dbraw/zinc/61/70/16/409617016.db2.gz WBKRQCODHWCVHW-LLVKDONJSA-N 0 3 185.286 2.611 20 0 AFADHN CC[C@@H](C)N(CC)Cc1conc1C 661105518 409627887 /nfs/dbraw/zinc/62/78/87/409627887.db2.gz XXFQXNXQVCCIMG-SECBINFHSA-N 0 3 196.294 2.603 20 0 AFADHN CC[C@H](C)N(CC)Cc1conc1C 661105519 409629862 /nfs/dbraw/zinc/62/98/62/409629862.db2.gz XXFQXNXQVCCIMG-VIFPVBQESA-N 0 3 196.294 2.603 20 0 AFADHN CC[C@H](C)N(CC)Cc1cc(C)no1 661105532 409633875 /nfs/dbraw/zinc/63/38/75/409633875.db2.gz YJYDXEOHKHRDOK-JTQLQIEISA-N 0 3 196.294 2.603 20 0 AFADHN CC[C@@H](C)N(CC)Cc1cc(C)no1 661105533 409634751 /nfs/dbraw/zinc/63/47/51/409634751.db2.gz YJYDXEOHKHRDOK-SNVBAGLBSA-N 0 3 196.294 2.603 20 0 AFADHN Cc1sccc1CN[C@@H]1CC1(C)C 307354748 409638117 /nfs/dbraw/zinc/63/81/17/409638117.db2.gz SWHNWKRPVQLYDG-SNVBAGLBSA-N 0 3 195.331 2.945 20 0 AFADHN Cc1sccc1CN[C@H]1CC1(C)C 307354747 409638250 /nfs/dbraw/zinc/63/82/50/409638250.db2.gz SWHNWKRPVQLYDG-JTQLQIEISA-N 0 3 195.331 2.945 20 0 AFADHN CC(C)N1CC[C@@H]1c1ccc(F)cc1 661510785 409645130 /nfs/dbraw/zinc/64/51/30/409645130.db2.gz IHYQGKBYNWECCP-GFCCVEGCSA-N 0 3 193.265 2.981 20 0 AFADHN CC(C)N1CC[C@H]1c1ccc(F)cc1 661510786 409645364 /nfs/dbraw/zinc/64/53/64/409645364.db2.gz IHYQGKBYNWECCP-LBPRGKRZSA-N 0 3 193.265 2.981 20 0 AFADHN CCCN1CC[C@@H]1c1ccc(F)cc1 661511384 409646390 /nfs/dbraw/zinc/64/63/90/409646390.db2.gz LLJZUDZCRGQHTN-GFCCVEGCSA-N 0 3 193.265 2.983 20 0 AFADHN CCCN1CC[C@H]1c1ccc(F)cc1 661511386 409647634 /nfs/dbraw/zinc/64/76/34/409647634.db2.gz LLJZUDZCRGQHTN-LBPRGKRZSA-N 0 3 193.265 2.983 20 0 AFADHN c1coc(CN[C@@H]2CCC[C@H]3C[C@H]32)c1 307508616 409652327 /nfs/dbraw/zinc/65/23/27/409652327.db2.gz AZTXRZSLMKRGGC-MVWJERBFSA-N 0 3 191.274 2.558 20 0 AFADHN c1cc(CN2CC[C@@H]3C[C@@H]3C2)cs1 661967085 409672788 /nfs/dbraw/zinc/67/27/88/409672788.db2.gz NUAHAUCIBHBUPU-GHMZBOCLSA-N 0 3 193.315 2.590 20 0 AFADHN c1cc(CN2CC[C@H]3C[C@H]3C2)cs1 661967089 409673016 /nfs/dbraw/zinc/67/30/16/409673016.db2.gz NUAHAUCIBHBUPU-QWRGUYRKSA-N 0 3 193.315 2.590 20 0 AFADHN Cc1ccc(CN[C@@H](C)CF)s1 308055127 409679679 /nfs/dbraw/zinc/67/96/79/409679679.db2.gz UDZYOSMMNFMXHF-ZETCQYMHSA-N 0 3 187.283 2.504 20 0 AFADHN CC(C)=CCN(C)CC1=CCSC1 662267553 409706238 /nfs/dbraw/zinc/70/62/38/409706238.db2.gz VKLYGZFRUZAHAQ-UHFFFAOYSA-N 0 3 197.347 2.558 20 0 AFADHN Cc1cc(C)cc(CN[C@@H](C)CF)c1 308503657 409726622 /nfs/dbraw/zinc/72/66/22/409726622.db2.gz CAXIHTUBZWBXPI-NSHDSACASA-N 0 3 195.281 2.751 20 0 AFADHN Cc1ccc(CN[C@@H](C)CF)c(C)c1 308511392 409729725 /nfs/dbraw/zinc/72/97/25/409729725.db2.gz JVPSEJDCPMAYEF-NSHDSACASA-N 0 3 195.281 2.751 20 0 AFADHN C[C@@H](CF)NC/C=C/c1ccccc1 308513434 409731062 /nfs/dbraw/zinc/73/10/62/409731062.db2.gz LMLFMMROHBXXIY-BWNDKRECSA-N 0 3 193.265 2.647 20 0 AFADHN C[C@@H](CF)NC/C=C\c1ccccc1 308513436 409731151 /nfs/dbraw/zinc/73/11/51/409731151.db2.gz LMLFMMROHBXXIY-OFSNVTPPSA-N 0 3 193.265 2.647 20 0 AFADHN Cc1ccc(C)c(CN[C@@H](C)CF)c1 308526842 409732553 /nfs/dbraw/zinc/73/25/53/409732553.db2.gz XOONYVPALVMJLJ-NSHDSACASA-N 0 3 195.281 2.751 20 0 AFADHN CCc1ccc(CN[C@@H](C)CF)cc1 308530385 409733082 /nfs/dbraw/zinc/73/30/82/409733082.db2.gz ZLEQZZQBAIQOJE-JTQLQIEISA-N 0 3 195.281 2.697 20 0 AFADHN C[C@@H](CF)NC[C@@H](C)c1ccccc1 308582412 409736596 /nfs/dbraw/zinc/73/65/96/409736596.db2.gz PZSZRNCBZFZFKP-MNOVXSKESA-N 0 3 195.281 2.738 20 0 AFADHN Cc1ccc(CN[C@@H](C)CF)cc1C 308584231 409737062 /nfs/dbraw/zinc/73/70/62/409737062.db2.gz QWZOIFYAZVDDSP-NSHDSACASA-N 0 3 195.281 2.751 20 0 AFADHN C[C@@H](CF)NC[C@H](C)c1ccccc1 308582413 409737409 /nfs/dbraw/zinc/73/74/09/409737409.db2.gz PZSZRNCBZFZFKP-QWRGUYRKSA-N 0 3 195.281 2.738 20 0 AFADHN C[C@@H](CF)N[C@@H](C)CCc1ccco1 308639017 409743283 /nfs/dbraw/zinc/74/32/83/409743283.db2.gz DETGTMLVQVTGDF-UWVGGRQHSA-N 0 3 199.269 2.548 20 0 AFADHN Cc1cccc(C)c1CN[C@@H](C)CF 308643748 409743652 /nfs/dbraw/zinc/74/36/52/409743652.db2.gz GGYDQUJTVIBEQT-NSHDSACASA-N 0 3 195.281 2.751 20 0 AFADHN C[C@@H](CF)N[C@H](C)CCc1ccco1 308639026 409744434 /nfs/dbraw/zinc/74/44/34/409744434.db2.gz DETGTMLVQVTGDF-ZJUUUORDSA-N 0 3 199.269 2.548 20 0 AFADHN Cc1cccc(CN[C@@H](C)CF)c1C 308686511 409750865 /nfs/dbraw/zinc/75/08/65/409750865.db2.gz ZSDREMMLZKRZRA-JTQLQIEISA-N 0 3 195.281 2.751 20 0 AFADHN CC(C)C1(NCc2ccco2)CC1 378779344 409802042 /nfs/dbraw/zinc/80/20/42/409802042.db2.gz GSWZTUHQMQUPEZ-UHFFFAOYSA-N 0 3 179.263 2.558 20 0 AFADHN CC[C@@H](C)[C@@H](C)NCc1conc1C 378863397 409807941 /nfs/dbraw/zinc/80/79/41/409807941.db2.gz VJKYKFRAXVTUDF-RKDXNWHRSA-N 0 3 196.294 2.507 20 0 AFADHN CC[C@H](NCc1conc1C)C(C)C 378861141 409808969 /nfs/dbraw/zinc/80/89/69/409808969.db2.gz QJEMLMAPPBBZGT-NSHDSACASA-N 0 3 196.294 2.507 20 0 AFADHN CC[C@@H](C)[C@H](C)NCc1conc1C 378863394 409809798 /nfs/dbraw/zinc/80/97/98/409809798.db2.gz VJKYKFRAXVTUDF-BDAKNGLRSA-N 0 3 196.294 2.507 20 0 AFADHN CC[C@@H](NCc1conc1C)C(C)C 378861140 409809847 /nfs/dbraw/zinc/80/98/47/409809847.db2.gz QJEMLMAPPBBZGT-LLVKDONJSA-N 0 3 196.294 2.507 20 0 AFADHN CC[C@H](C)[C@H](C)NCc1conc1C 378863396 409809969 /nfs/dbraw/zinc/80/99/69/409809969.db2.gz VJKYKFRAXVTUDF-IUCAKERBSA-N 0 3 196.294 2.507 20 0 AFADHN CC[C@H](C)[C@@H](C)NCc1conc1C 378863395 409810248 /nfs/dbraw/zinc/81/02/48/409810248.db2.gz VJKYKFRAXVTUDF-DTWKUNHWSA-N 0 3 196.294 2.507 20 0 AFADHN CCN(CC)Cc1csc(C)c1 379318844 409822703 /nfs/dbraw/zinc/82/27/03/409822703.db2.gz NGBOSEIAQFZCFG-UHFFFAOYSA-N 0 3 183.320 2.898 20 0 AFADHN Cc1ccsc1CN[C@@H](C)CF 379336958 409830070 /nfs/dbraw/zinc/83/00/70/409830070.db2.gz UKVDSGQSYJAJOO-QMMMGPOBSA-N 0 3 187.283 2.504 20 0 AFADHN CC[C@@H]1CC[C@@H]1NCc1occc1C 379580202 409852449 /nfs/dbraw/zinc/85/24/49/409852449.db2.gz YLANNNYXXQBULH-MNOVXSKESA-N 0 3 193.290 2.866 20 0 AFADHN CC[C@H]1CC[C@@H]1NCc1occc1C 379580203 409853129 /nfs/dbraw/zinc/85/31/29/409853129.db2.gz YLANNNYXXQBULH-QWRGUYRKSA-N 0 3 193.290 2.866 20 0 AFADHN CC[C@H]1CC[C@H]1NCc1occc1C 379580204 409853336 /nfs/dbraw/zinc/85/33/36/409853336.db2.gz YLANNNYXXQBULH-WDEREUQCSA-N 0 3 193.290 2.866 20 0 AFADHN CC[C@@H]1CC[C@H]1NCc1occc1C 379580201 409853589 /nfs/dbraw/zinc/85/35/89/409853589.db2.gz YLANNNYXXQBULH-GHMZBOCLSA-N 0 3 193.290 2.866 20 0 AFADHN C1=C(CNCc2ccco2)CCCC1 379589402 409856071 /nfs/dbraw/zinc/85/60/71/409856071.db2.gz QXWXFLFCRNPSSZ-UHFFFAOYSA-N 0 3 191.274 2.870 20 0 AFADHN C1=C(CNCc2cc[nH]c2)CCCC1 379590723 409856378 /nfs/dbraw/zinc/85/63/78/409856378.db2.gz VIKOEVLLWYKBSJ-UHFFFAOYSA-N 0 3 190.290 2.605 20 0 AFADHN CCN(CCCF)Cc1occc1C 665239909 409856768 /nfs/dbraw/zinc/85/67/68/409856768.db2.gz NUCPMYVRIIBTIX-UHFFFAOYSA-N 0 3 199.269 2.770 20 0 AFADHN CCC1(NCc2ccccc2F)CC1 379726578 409866244 /nfs/dbraw/zinc/86/62/44/409866244.db2.gz WDYWBIGBSZKTCU-UHFFFAOYSA-N 0 3 193.265 2.858 20 0 AFADHN CCC1(NCc2ccc(C)o2)CC1 379716733 409866665 /nfs/dbraw/zinc/86/66/65/409866665.db2.gz OCCOBQHZHFKGGJ-UHFFFAOYSA-N 0 3 179.263 2.620 20 0 AFADHN CCC1(NCc2ccc(Cl)o2)CC1 379715712 409867102 /nfs/dbraw/zinc/86/71/02/409867102.db2.gz LBKHZDIHDKUPGZ-UHFFFAOYSA-N 0 3 199.681 2.965 20 0 AFADHN CCc1ccc(CNC2(CC)CC2)o1 379721553 409868000 /nfs/dbraw/zinc/86/80/00/409868000.db2.gz GMHHWMMEYDCPHU-UHFFFAOYSA-N 0 3 193.290 2.874 20 0 AFADHN CCC1(NCc2occc2C)CC1 379715038 409868051 /nfs/dbraw/zinc/86/80/51/409868051.db2.gz JHMSQLGJSLZQPR-UHFFFAOYSA-N 0 3 179.263 2.620 20 0 AFADHN CCCCCNCc1conc1CC 382188075 409896241 /nfs/dbraw/zinc/89/62/41/409896241.db2.gz BYMJLEAUSMAVIM-UHFFFAOYSA-N 0 3 196.294 2.517 20 0 AFADHN Cc1cccc(CNCCCF)c1F 384667674 409909670 /nfs/dbraw/zinc/90/96/70/409909670.db2.gz PYLNEGKTCKWKLW-UHFFFAOYSA-N 0 3 199.244 2.583 20 0 AFADHN CC/C=C\CNCc1ccccc1F 384880966 409916962 /nfs/dbraw/zinc/91/69/62/409916962.db2.gz ILPDSFZMHCRIKC-UTCJRWHESA-N 0 3 193.265 2.882 20 0 AFADHN CC/C=C/CNCc1ccccc1F 384881017 409917556 /nfs/dbraw/zinc/91/75/56/409917556.db2.gz ILPDSFZMHCRIKC-ZZXKWVIFSA-N 0 3 193.265 2.882 20 0 AFADHN CC/C=C\CN[C@H](C)c1ccccn1 384919217 409918294 /nfs/dbraw/zinc/91/82/94/409918294.db2.gz QXTVJFADIBDXAH-VLWUPBBWSA-N 0 3 190.290 2.698 20 0 AFADHN CC/C=C\CNCc1scnc1C 384923102 409918752 /nfs/dbraw/zinc/91/87/52/409918752.db2.gz RLQTVVVQJYLGCP-PLNGDYQASA-N 0 3 196.319 2.507 20 0 AFADHN CC/C=C/CN[C@@H](C)c1ccccn1 384919215 409918785 /nfs/dbraw/zinc/91/87/85/409918785.db2.gz QXTVJFADIBDXAH-MALLOTDXSA-N 0 3 190.290 2.698 20 0 AFADHN CC/C=C/CNCc1scnc1C 384923116 409919488 /nfs/dbraw/zinc/91/94/88/409919488.db2.gz RLQTVVVQJYLGCP-SNAWJCMRSA-N 0 3 196.319 2.507 20 0 AFADHN CC/C=C/CNCc1cccc(F)c1 384917036 409919623 /nfs/dbraw/zinc/91/96/23/409919623.db2.gz QQAVROLJPHHPQT-ONEGZZNKSA-N 0 3 193.265 2.882 20 0 AFADHN CC/C=C/CN[C@H](C)c1ccccn1 384919214 409919770 /nfs/dbraw/zinc/91/97/70/409919770.db2.gz QXTVJFADIBDXAH-DUMNWFOQSA-N 0 3 190.290 2.698 20 0 AFADHN CC/C=C\CN[C@@H](C)c1ccccn1 384919216 409919868 /nfs/dbraw/zinc/91/98/68/409919868.db2.gz QXTVJFADIBDXAH-QZPNVGJNSA-N 0 3 190.290 2.698 20 0 AFADHN CC/C=C\CNCc1cccc(F)c1 384917035 409920246 /nfs/dbraw/zinc/92/02/46/409920246.db2.gz QQAVROLJPHHPQT-ARJAWSKDSA-N 0 3 193.265 2.882 20 0 AFADHN CC/C=C\CNCc1ccc(F)cc1 384973642 409921332 /nfs/dbraw/zinc/92/13/32/409921332.db2.gz YGVQWVNHKMJWOZ-ARJAWSKDSA-N 0 3 193.265 2.882 20 0 AFADHN CC/C=C/CNCc1ccc(F)cc1 384973645 409922511 /nfs/dbraw/zinc/92/25/11/409922511.db2.gz YGVQWVNHKMJWOZ-ONEGZZNKSA-N 0 3 193.265 2.882 20 0 AFADHN C[C@H](CC(C)(C)C)NCc1ccon1 385029798 409924466 /nfs/dbraw/zinc/92/44/66/409924466.db2.gz YEKNHPRMCJFLIG-SECBINFHSA-N 0 3 196.294 2.589 20 0 AFADHN C[C@@H](CC(C)(C)C)NCc1ccon1 385029804 409924671 /nfs/dbraw/zinc/92/46/71/409924671.db2.gz YEKNHPRMCJFLIG-VIFPVBQESA-N 0 3 196.294 2.589 20 0 AFADHN CC/C=C\CNCc1ccsc1 385254660 409927006 /nfs/dbraw/zinc/92/70/06/409927006.db2.gz XNQBSNABOWSZKG-ARJAWSKDSA-N 0 3 181.304 2.804 20 0 AFADHN CC/C=C\CNCc1cccs1 385239554 409926992 /nfs/dbraw/zinc/92/69/92/409926992.db2.gz VGQXJICLYBDWND-ARJAWSKDSA-N 0 3 181.304 2.804 20 0 AFADHN CC/C=C/CNCc1cccs1 385239555 409927572 /nfs/dbraw/zinc/92/75/72/409927572.db2.gz VGQXJICLYBDWND-ONEGZZNKSA-N 0 3 181.304 2.804 20 0 AFADHN CC/C=C/CNCc1ccsc1 385254670 409928511 /nfs/dbraw/zinc/92/85/11/409928511.db2.gz XNQBSNABOWSZKG-ONEGZZNKSA-N 0 3 181.304 2.804 20 0 AFADHN CC[C@@H]1C[C@H]1CNCc1occc1C 387699687 409943537 /nfs/dbraw/zinc/94/35/37/409943537.db2.gz KGEWNXJCGFDVRL-MNOVXSKESA-N 0 3 193.290 2.724 20 0 AFADHN CC[C@@H]1C[C@H]1CNCc1ccc(C)o1 388131878 409946535 /nfs/dbraw/zinc/94/65/35/409946535.db2.gz BKTCRWXELQOJGR-MNOVXSKESA-N 0 3 193.290 2.724 20 0 AFADHN CC/C=C\CNCc1ccccc1 388288372 409951774 /nfs/dbraw/zinc/95/17/74/409951774.db2.gz SWBIDZOZWJZOHR-CLTKARDFSA-N 0 3 175.275 2.742 20 0 AFADHN CCCN(CCC)Cc1ccco1 388768828 409962319 /nfs/dbraw/zinc/96/23/19/409962319.db2.gz GBKXVIMXUVWXKR-UHFFFAOYSA-N 0 3 181.279 2.902 20 0 AFADHN Cc1ccc(CNC2(C(C)C)CC2)o1 393437177 409981558 /nfs/dbraw/zinc/98/15/58/409981558.db2.gz LNHLFVULHWMIEZ-UHFFFAOYSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccoc1CNC1(C(C)C)CC1 393508273 409985234 /nfs/dbraw/zinc/98/52/34/409985234.db2.gz IFCYXXAMVFMPDR-UHFFFAOYSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccccc1C(C)(C)NCCF 393963818 409996497 /nfs/dbraw/zinc/99/64/97/409996497.db2.gz JZXZUUFGJBSDRU-UHFFFAOYSA-N 0 3 195.281 2.789 20 0 AFADHN CCCNCc1c(F)cc(C)cc1F 398483914 410020918 /nfs/dbraw/zinc/02/09/18/410020918.db2.gz OHEPZVBHYVWURO-UHFFFAOYSA-N 0 3 199.244 2.773 20 0 AFADHN CCc1cc(N2CCC[C@H]2C)ccn1 649289035 410187603 /nfs/dbraw/zinc/18/76/03/410187603.db2.gz RVVXGCIJVMJFGJ-SNVBAGLBSA-N 0 3 190.290 2.633 20 0 AFADHN CCc1cc(N(C)C2CCC2)ccn1 649286699 410187958 /nfs/dbraw/zinc/18/79/58/410187958.db2.gz JNQFSWCSBPGZIQ-UHFFFAOYSA-N 0 3 190.290 2.633 20 0 AFADHN CCc1cc(N2CCC[C@@H]2C)ccn1 649289034 410188104 /nfs/dbraw/zinc/18/81/04/410188104.db2.gz RVVXGCIJVMJFGJ-JTQLQIEISA-N 0 3 190.290 2.633 20 0 AFADHN CCCN(CC)c1ccnc(CC)c1 649290972 410188264 /nfs/dbraw/zinc/18/82/64/410188264.db2.gz LRMWHVCKVNTZJD-UHFFFAOYSA-N 0 3 192.306 2.880 20 0 AFADHN CC[C@H]1CN(CCC(C)C)[C@H](C)CO1 649732413 410229222 /nfs/dbraw/zinc/22/92/22/410229222.db2.gz XGUTWNHQXNKMSV-NEPJUHHUSA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@H](C)CN1C[C@H](CC)OC[C@@H]1C 649732893 410228120 /nfs/dbraw/zinc/22/81/20/410228120.db2.gz BNOYQBGMRJAYDG-SRVKXCTJSA-N 0 3 199.338 2.532 20 0 AFADHN CCCCN1C[C@@H](CC)OC[C@H]1CC 649720280 410228351 /nfs/dbraw/zinc/22/83/51/410228351.db2.gz GKMWQEKLPZSNOE-VXGBXAGGSA-N 0 3 199.338 2.676 20 0 AFADHN CC[C@H](C)CN1C[C@@H](CC)OC[C@H]1C 649732891 410228745 /nfs/dbraw/zinc/22/87/45/410228745.db2.gz BNOYQBGMRJAYDG-QJPTWQEYSA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@H](C)CN1C[C@@H](CC)OC[C@@H]1C 649732892 410228933 /nfs/dbraw/zinc/22/89/33/410228933.db2.gz BNOYQBGMRJAYDG-SDDRHHMPSA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@@H]1CN(CCC(C)C)[C@@H](C)CO1 649732414 410229151 /nfs/dbraw/zinc/22/91/51/410229151.db2.gz XGUTWNHQXNKMSV-NWDGAFQWSA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@H]1CN(CCC(C)C)[C@@H](C)CO1 649732415 410229315 /nfs/dbraw/zinc/22/93/15/410229315.db2.gz XGUTWNHQXNKMSV-RYUDHWBXSA-N 0 3 199.338 2.532 20 0 AFADHN CCCCN1C[C@H](CC)OC[C@H]1CC 649720277 410229433 /nfs/dbraw/zinc/22/94/33/410229433.db2.gz GKMWQEKLPZSNOE-NEPJUHHUSA-N 0 3 199.338 2.676 20 0 AFADHN CC[C@H](C)CN1C[C@H](CC)OC[C@H]1C 649732894 410229944 /nfs/dbraw/zinc/22/99/44/410229944.db2.gz BNOYQBGMRJAYDG-TUAOUCFPSA-N 0 3 199.338 2.532 20 0 AFADHN CCCCN1C[C@H](CC)OC[C@@H]1CC 649720279 410230365 /nfs/dbraw/zinc/23/03/65/410230365.db2.gz GKMWQEKLPZSNOE-RYUDHWBXSA-N 0 3 199.338 2.676 20 0 AFADHN CCCCN1C[C@@H](CC)OC[C@@H]1CC 649720278 410230412 /nfs/dbraw/zinc/23/04/12/410230412.db2.gz GKMWQEKLPZSNOE-NWDGAFQWSA-N 0 3 199.338 2.676 20 0 AFADHN CC[C@@H]1CN(CCC(C)C)[C@H](C)CO1 649732416 410230616 /nfs/dbraw/zinc/23/06/16/410230616.db2.gz XGUTWNHQXNKMSV-VXGBXAGGSA-N 0 3 199.338 2.532 20 0 AFADHN CCCCCN1C[C@@H](CC)OC[C@@H]1C 649733955 410231698 /nfs/dbraw/zinc/23/16/98/410231698.db2.gz QMOZCPFCACKZEN-NWDGAFQWSA-N 0 3 199.338 2.676 20 0 AFADHN F[C@@H]1CCN(CCC2CCCC2)C1 649755911 410231821 /nfs/dbraw/zinc/23/18/21/410231821.db2.gz NXJVHQHSZXOUGU-LLVKDONJSA-N 0 3 185.286 2.611 20 0 AFADHN CCCCCN1C[C@H](CC)OC[C@H]1C 649733954 410232592 /nfs/dbraw/zinc/23/25/92/410232592.db2.gz QMOZCPFCACKZEN-NEPJUHHUSA-N 0 3 199.338 2.676 20 0 AFADHN F[C@H]1CCN(CCC2CCCC2)C1 649755912 410233517 /nfs/dbraw/zinc/23/35/17/410233517.db2.gz NXJVHQHSZXOUGU-NSHDSACASA-N 0 3 185.286 2.611 20 0 AFADHN CCCCCN1C[C@H](CC)OC[C@@H]1C 649733956 410233578 /nfs/dbraw/zinc/23/35/78/410233578.db2.gz QMOZCPFCACKZEN-RYUDHWBXSA-N 0 3 199.338 2.676 20 0 AFADHN C[C@H]1COCCN1CCCC(C)(C)C 649739557 410233601 /nfs/dbraw/zinc/23/36/01/410233601.db2.gz KUIGRBVMJOOJDI-NSHDSACASA-N 0 3 199.338 2.533 20 0 AFADHN CCCCCN1C[C@@H](CC)OC[C@H]1C 649733957 410234257 /nfs/dbraw/zinc/23/42/57/410234257.db2.gz QMOZCPFCACKZEN-VXGBXAGGSA-N 0 3 199.338 2.676 20 0 AFADHN F[C@H]1CCN(CCC2=CCCCC2)C1 649940649 410246059 /nfs/dbraw/zinc/24/60/59/410246059.db2.gz WUSURPDEHKGAKR-LBPRGKRZSA-N 0 3 197.297 2.921 20 0 AFADHN CC(C)(C)CCCN1CC[C@H](F)C1 649940621 410246439 /nfs/dbraw/zinc/24/64/39/410246439.db2.gz MQCMYJHLDCYMJD-JTQLQIEISA-N 0 3 187.302 2.857 20 0 AFADHN F[C@@H]1CCN([C@@H]2C=CCCCCC2)C1 649946063 410250899 /nfs/dbraw/zinc/25/08/99/410250899.db2.gz VXHDUPIYLQYFPR-VXGBXAGGSA-N 0 3 197.297 2.919 20 0 AFADHN F[C@@H]1CCN([C@H]2C=CCCCCC2)C1 649946062 410251188 /nfs/dbraw/zinc/25/11/88/410251188.db2.gz VXHDUPIYLQYFPR-NEPJUHHUSA-N 0 3 197.297 2.919 20 0 AFADHN CC(C)(C)CCCN1CC[C@@H](F)C1 649945439 410251420 /nfs/dbraw/zinc/25/14/20/410251420.db2.gz MQCMYJHLDCYMJD-SNVBAGLBSA-N 0 3 187.302 2.857 20 0 AFADHN F[C@@H]1CCN(CCC2=CCCCC2)C1 649946064 410251467 /nfs/dbraw/zinc/25/14/67/410251467.db2.gz WUSURPDEHKGAKR-GFCCVEGCSA-N 0 3 197.297 2.921 20 0 AFADHN FCCN1CCCC2(CCCC2)C1 307703608 629808627 /nfs/dbraw/zinc/80/86/27/629808627.db2.gz RSDYMUNHCXTKSN-UHFFFAOYSA-N 0 3 185.286 2.612 20 0 AFADHN CC(C)(N)[C@@H](F)c1ccccc1F 107255650 573446421 /nfs/dbraw/zinc/44/64/21/573446421.db2.gz AHASLMYDUXYDGZ-VIFPVBQESA-N 0 3 185.217 2.574 20 0 AFADHN CC(C)(C)c1ccc([C@H](F)CN)cc1 108305645 573751344 /nfs/dbraw/zinc/75/13/44/573751344.db2.gz CGXJELDFSQBKAI-LLVKDONJSA-N 0 3 195.281 2.953 20 0 AFADHN Cc1cccc(F)c1CNCC1CC1 308757830 573842484 /nfs/dbraw/zinc/84/24/84/573842484.db2.gz WYARFUZDFODRTJ-UHFFFAOYSA-N 0 3 193.265 2.634 20 0 AFADHN CC[C@@H](C)N(C)Cc1scnc1C 388579390 538433170 /nfs/dbraw/zinc/43/31/70/538433170.db2.gz ATZQLBJAKXPMQG-MRVPVSSYSA-N 0 3 198.335 2.682 20 0 AFADHN Cc1cc(C)nc(N[C@@H]2CC[C@H]2C)c1 306920235 629681547 /nfs/dbraw/zinc/68/15/47/629681547.db2.gz FQBVUXKLEMVBKI-MWLCHTKSSA-N 0 3 190.290 2.909 20 0 AFADHN Cl/C=C/CN1CCC(C2CC2)CC1 306888705 629682333 /nfs/dbraw/zinc/68/23/33/629682333.db2.gz WKAFKQFVCCLQBA-LZCJLJQNSA-N 0 3 199.725 2.861 20 0 AFADHN Cc1cc(C)nc(N[C@H]2CC[C@@H]2C)c1 306920236 629682559 /nfs/dbraw/zinc/68/25/59/629682559.db2.gz FQBVUXKLEMVBKI-ONGXEEELSA-N 0 3 190.290 2.909 20 0 AFADHN Cc1cc(C)nc(N[C@H]2CC[C@H]2C)c1 306920234 629682601 /nfs/dbraw/zinc/68/26/01/629682601.db2.gz FQBVUXKLEMVBKI-KOLCDFICSA-N 0 3 190.290 2.909 20 0 AFADHN Cc1cc(C)nc(N[C@@H]2CC[C@@H]2C)c1 306920233 629683578 /nfs/dbraw/zinc/68/35/78/629683578.db2.gz FQBVUXKLEMVBKI-GXSJLCMTSA-N 0 3 190.290 2.909 20 0 AFADHN CC(C)N(C)Cc1ccc(Cl)cn1 306943684 629685197 /nfs/dbraw/zinc/68/51/97/629685197.db2.gz JDBLBNGUYXQAPV-UHFFFAOYSA-N 0 3 198.697 2.575 20 0 AFADHN CN(CCF)CCC1CCCCC1 308266374 629846561 /nfs/dbraw/zinc/84/65/61/629846561.db2.gz PRQILKWIYWUVDG-UHFFFAOYSA-N 0 3 187.302 2.858 20 0 AFADHN CCCN(C)Cc1ccnc(Cl)c1 51625629 629883193 /nfs/dbraw/zinc/88/31/93/629883193.db2.gz QQKYHDQDMFFNHY-UHFFFAOYSA-N 0 3 198.697 2.577 20 0 AFADHN CC1=C(C)CN(C/C=C\Cl)CC1 308041993 629977648 /nfs/dbraw/zinc/97/76/48/629977648.db2.gz NUJIHGOBBWYRSF-HYXAFXHYSA-N 0 3 185.698 2.781 20 0 AFADHN CCC1CCN(C/C=C\Cl)CC1 308002662 629979932 /nfs/dbraw/zinc/97/99/32/629979932.db2.gz BGLSVCYZUPRWNX-UTCJRWHESA-N 0 3 187.714 2.861 20 0 AFADHN Cc1ccccc1CN1CC2(CC2)C1 334743847 630044580 /nfs/dbraw/zinc/04/45/80/630044580.db2.gz XBJIJJCVESXNGH-UHFFFAOYSA-N 0 3 187.286 2.591 20 0 AFADHN CCCN(C)Cc1ccc(SC)o1 893924011 630068860 /nfs/dbraw/zinc/06/88/60/630068860.db2.gz OZGBEZPNKSKFFJ-UHFFFAOYSA-N 0 3 199.319 2.843 20 0 AFADHN CCN(CC)Cc1ccc(SC)o1 893873169 630069419 /nfs/dbraw/zinc/06/94/19/630069419.db2.gz XFPORQADWWBHMC-UHFFFAOYSA-N 0 3 199.319 2.843 20 0 AFADHN CC1=C(C)CN(C/C=C/Cl)CC1 306236872 630089725 /nfs/dbraw/zinc/08/97/25/630089725.db2.gz NUJIHGOBBWYRSF-HWKANZROSA-N 0 3 185.698 2.781 20 0 AFADHN Cl/C=C/CN1CCCC2(CC2)C1 307232181 630157683 /nfs/dbraw/zinc/15/76/83/630157683.db2.gz CGCVVTFGFBLJFH-QHHAFSJGSA-N 0 3 185.698 2.615 20 0 AFADHN CN(C/C=C/Cl)CC(C)(C)C 307734804 630189028 /nfs/dbraw/zinc/18/90/28/630189028.db2.gz WGZJSTFLQQUJTC-AATRIKPKSA-N 0 3 175.703 2.717 20 0 AFADHN Cc1ccoc1CN1CCC(F)CC1 895547127 630219756 /nfs/dbraw/zinc/21/97/56/630219756.db2.gz MZRSZFMIGLAGMB-UHFFFAOYSA-N 0 3 197.253 2.522 20 0 AFADHN Cc1occc1CN1CCC(F)CC1 895547144 630220312 /nfs/dbraw/zinc/22/03/12/630220312.db2.gz NJWNIKDTSYZCRN-UHFFFAOYSA-N 0 3 197.253 2.522 20 0 AFADHN Cc1cc(CN(C)CCCF)c(C)o1 895897545 630221842 /nfs/dbraw/zinc/22/18/42/630221842.db2.gz BEIMMHGHMRYEIS-UHFFFAOYSA-N 0 3 199.269 2.688 20 0 AFADHN CCc1ccc(CN(C)CCCF)o1 895897861 630222927 /nfs/dbraw/zinc/22/29/27/630222927.db2.gz GFARNJSHQPAYGI-UHFFFAOYSA-N 0 3 199.269 2.633 20 0 AFADHN Cc1cc(Cl)ccc1[C@H](N)CF 238513372 630223139 /nfs/dbraw/zinc/22/31/39/630223139.db2.gz HNEOILVMJCIHNH-SECBINFHSA-N 0 3 187.645 2.618 20 0 AFADHN CCCC[C@@H](CC)NCc1ccon1 88052678 630748711 /nfs/dbraw/zinc/74/87/11/630748711.db2.gz TWRDPGNXXDSZHU-SNVBAGLBSA-N 0 3 196.294 2.733 20 0 AFADHN CC(C)=CCNCc1cnc(C)s1 232618722 630748943 /nfs/dbraw/zinc/74/89/43/630748943.db2.gz JPRYCASUDQUWRU-UHFFFAOYSA-N 0 3 196.319 2.507 20 0 AFADHN CCCC[C@H](CC)NCc1ccon1 88052679 630749840 /nfs/dbraw/zinc/74/98/40/630749840.db2.gz TWRDPGNXXDSZHU-JTQLQIEISA-N 0 3 196.294 2.733 20 0 AFADHN CCCN[C@H](C)c1cccnc1Cl 166177598 630761173 /nfs/dbraw/zinc/76/11/73/630761173.db2.gz NINLXXNHYLRUPL-MRVPVSSYSA-N 0 3 198.697 2.796 20 0 AFADHN CC(C)CCCN1C[C@H](C)O[C@H](C)C1 202984651 630780398 /nfs/dbraw/zinc/78/03/98/630780398.db2.gz LDPMZUZZTJITHV-TXEJJXNPSA-N 0 3 199.338 2.532 20 0 AFADHN CCN(Cc1c(C)noc1C)C(C)C 917089411 630789242 /nfs/dbraw/zinc/78/92/42/630789242.db2.gz UNGARNURFMPSRG-UHFFFAOYSA-N 0 3 196.294 2.522 20 0 AFADHN CCN(Cc1cnc(C)s1)C(C)C 920207015 630814889 /nfs/dbraw/zinc/81/48/89/630814889.db2.gz UKZXKBCZGDCMRR-UHFFFAOYSA-N 0 3 198.335 2.682 20 0 AFADHN CCC[C@@H](CC)NCc1cc(C)on1 224605534 630846214 /nfs/dbraw/zinc/84/62/14/630846214.db2.gz NHHIMIKTWNCCRQ-SNVBAGLBSA-N 0 3 196.294 2.651 20 0 AFADHN CCC[C@H](CC)NCc1cc(C)on1 224605581 630846316 /nfs/dbraw/zinc/84/63/16/630846316.db2.gz NHHIMIKTWNCCRQ-JTQLQIEISA-N 0 3 196.294 2.651 20 0 AFADHN CC[C@H](C)NCc1cccnc1Cl 83343046 630846939 /nfs/dbraw/zinc/84/69/39/630846939.db2.gz BGICREFMAXNKHJ-QMMMGPOBSA-N 0 3 198.697 2.623 20 0 AFADHN CC[C@@H](C)NCc1cccnc1Cl 83343045 630847398 /nfs/dbraw/zinc/84/73/98/630847398.db2.gz BGICREFMAXNKHJ-MRVPVSSYSA-N 0 3 198.697 2.623 20 0 AFADHN Cl/C=C/CNCc1cccs1 227094088 630854065 /nfs/dbraw/zinc/85/40/65/630854065.db2.gz VBBCNROLNIHDOM-DUXPYHPUSA-N 0 3 187.695 2.590 20 0 AFADHN CCc1ccc(CN[C@H]2C=CCC2)o1 700545388 630880883 /nfs/dbraw/zinc/88/08/83/630880883.db2.gz ZFIOAMJPPPJDLG-JTQLQIEISA-N 0 3 191.274 2.650 20 0 AFADHN CCc1ccc(CN[C@@H]2C=CCC2)o1 700545389 630881669 /nfs/dbraw/zinc/88/16/69/630881669.db2.gz ZFIOAMJPPPJDLG-SNVBAGLBSA-N 0 3 191.274 2.650 20 0 AFADHN CC/C=C\CNCc1cc(C)oc1C 824701967 630942094 /nfs/dbraw/zinc/94/20/94/630942094.db2.gz FHCJLVAHZBAMOX-WAYWQWQTSA-N 0 3 193.290 2.952 20 0 AFADHN CC/C=C/CNCc1cc(C)oc1C 824701959 630942471 /nfs/dbraw/zinc/94/24/71/630942471.db2.gz FHCJLVAHZBAMOX-AATRIKPKSA-N 0 3 193.290 2.952 20 0 AFADHN c1cc(CN(C2CC2)C2CC2)cs1 859626949 631001331 /nfs/dbraw/zinc/00/13/31/631001331.db2.gz MZCNVCNZSOCUMB-UHFFFAOYSA-N 0 3 193.315 2.875 20 0 AFADHN Cc1cccc2c1[C@@H](NCCF)CC2 926349431 631059344 /nfs/dbraw/zinc/05/93/44/631059344.db2.gz YIZLZVNZRPFQNA-NSHDSACASA-N 0 3 193.265 2.541 20 0 AFADHN Cc1cccc2c1[C@H](NCCF)CC2 926349430 631061289 /nfs/dbraw/zinc/06/12/89/631061289.db2.gz YIZLZVNZRPFQNA-LLVKDONJSA-N 0 3 193.265 2.541 20 0 AFADHN FCCCN(Cc1ccoc1)C1CC1 934005569 631142618 /nfs/dbraw/zinc/14/26/18/631142618.db2.gz YYNFWXGAAUZOMM-UHFFFAOYSA-N 0 3 197.253 2.604 20 0 AFADHN CCCN[C@@H](C)c1cccnc1Cl 166177472 1224196786 /nfs/dbraw/zinc/19/67/86/1224196786.db2.gz NINLXXNHYLRUPL-QMMMGPOBSA-N 0 3 198.697 2.796 20 0 AFADHN CCN(Cc1ccns1)C(C)(C)C 1333371064 1224456112 /nfs/dbraw/zinc/45/61/12/1224456112.db2.gz NUORNHPAENKFAR-UHFFFAOYSA-N 0 3 198.335 2.764 20 0 AFADHN CCCN(CC)Cc1ccsc1 388384336 538431709 /nfs/dbraw/zinc/43/17/09/538431709.db2.gz YNGOIVRMGUKCHH-UHFFFAOYSA-N 0 3 183.320 2.980 20 0 AFADHN Cc1ccsc1CN[C@H](C)CF 388515641 538433362 /nfs/dbraw/zinc/43/33/62/538433362.db2.gz UKVDSGQSYJAJOO-MRVPVSSYSA-N 0 3 187.283 2.504 20 0 AFADHN CC[C@H](C)N(C)Cc1scnc1C 388579394 538433459 /nfs/dbraw/zinc/43/34/59/538433459.db2.gz ATZQLBJAKXPMQG-QMMMGPOBSA-N 0 3 198.335 2.682 20 0 AFADHN C[C@H](C1CC1)N(C)Cc1ccco1 388586348 538433940 /nfs/dbraw/zinc/43/39/40/538433940.db2.gz IHBXRDSJQNUGCO-SECBINFHSA-N 0 3 179.263 2.510 20 0 AFADHN C[C@@H](C1CC1)N(C)Cc1ccco1 388586349 538433968 /nfs/dbraw/zinc/43/39/68/538433968.db2.gz IHBXRDSJQNUGCO-VIFPVBQESA-N 0 3 179.263 2.510 20 0 AFADHN CCN[C@H](C)c1cccc(F)c1F 69640798 535516445 /nfs/dbraw/zinc/51/64/45/535516445.db2.gz OXZLWRSECULKTM-SSDOTTSWSA-N 0 3 185.217 2.635 20 0 AFADHN CCCN[C@@H](C)c1nc(C)sc1C 20084364 537783134 /nfs/dbraw/zinc/78/31/34/537783134.db2.gz INLRUSGYCKFANR-ZETCQYMHSA-N 0 3 198.335 2.821 20 0 AFADHN Cc1nc([C@H](C)NCC(C)C)cs1 22862719 537785965 /nfs/dbraw/zinc/78/59/65/537785965.db2.gz QRXFEUCLSXZOOK-QMMMGPOBSA-N 0 3 198.335 2.758 20 0 AFADHN CCCCN[C@@H](C)c1csc(C)n1 22862687 537785981 /nfs/dbraw/zinc/78/59/81/537785981.db2.gz UJIUCXWLRFWRIT-QMMMGPOBSA-N 0 3 198.335 2.902 20 0 AFADHN CC[C@H](C)N[C@H](C)c1csc(C)n1 22862781 537786979 /nfs/dbraw/zinc/78/69/79/537786979.db2.gz QUFRNPVSZNDCDO-JGVFFNPUSA-N 0 3 198.335 2.901 20 0 AFADHN Cc1nc([C@@H](C)NCC(C)C)cs1 22862723 537787058 /nfs/dbraw/zinc/78/70/58/537787058.db2.gz QRXFEUCLSXZOOK-MRVPVSSYSA-N 0 3 198.335 2.758 20 0 AFADHN CC[C@@H](C)N[C@H](C)c1cscn1 22862307 537787111 /nfs/dbraw/zinc/78/71/11/537787111.db2.gz ZRJLZUGFGXMGGR-HTQZYQBOSA-N 0 3 184.308 2.592 20 0 AFADHN CCC(CC)N[C@H](C)c1cscn1 22862591 537788407 /nfs/dbraw/zinc/78/84/07/537788407.db2.gz XYLLKHGCRVOBQM-MRVPVSSYSA-N 0 3 198.335 2.982 20 0 AFADHN CCC(CC)N[C@@H](C)c1cscn1 22862587 537789023 /nfs/dbraw/zinc/78/90/23/537789023.db2.gz XYLLKHGCRVOBQM-QMMMGPOBSA-N 0 3 198.335 2.982 20 0 AFADHN CCCN[C@@H](C)c1csc(C)n1 22862461 537789043 /nfs/dbraw/zinc/78/90/43/537789043.db2.gz ZJLVQIGJWNEHKO-ZETCQYMHSA-N 0 3 184.308 2.512 20 0 AFADHN CC[C@H](C)N[C@@H](C)c1csc(C)n1 22862772 537789087 /nfs/dbraw/zinc/78/90/87/537789087.db2.gz QUFRNPVSZNDCDO-YUMQZZPRSA-N 0 3 198.335 2.901 20 0 AFADHN CC[C@@H](C)N[C@H](C)c1csc(C)n1 22862777 537789335 /nfs/dbraw/zinc/78/93/35/537789335.db2.gz QUFRNPVSZNDCDO-HTQZYQBOSA-N 0 3 198.335 2.901 20 0 AFADHN CC[C@@H](C)N[C@@H](C)c1csc(C)n1 22862769 537789366 /nfs/dbraw/zinc/78/93/66/537789366.db2.gz QUFRNPVSZNDCDO-SFYZADRCSA-N 0 3 198.335 2.901 20 0 AFADHN CCC(CC)NCc1ncc(C)s1 22862678 537789718 /nfs/dbraw/zinc/78/97/18/537789718.db2.gz RBGDDWKPBDRBOV-UHFFFAOYSA-N 0 3 198.335 2.730 20 0 AFADHN CCCCN[C@H](C)c1csc(C)n1 22862693 537790222 /nfs/dbraw/zinc/79/02/22/537790222.db2.gz UJIUCXWLRFWRIT-MRVPVSSYSA-N 0 3 198.335 2.902 20 0 AFADHN CC[C@H](C)N[C@H](C)c1cscn1 22862311 537790253 /nfs/dbraw/zinc/79/02/53/537790253.db2.gz ZRJLZUGFGXMGGR-JGVFFNPUSA-N 0 3 184.308 2.592 20 0 AFADHN Cc1ccc(CN2CC=CCC2)cc1 34754699 537793574 /nfs/dbraw/zinc/79/35/74/537793574.db2.gz OGFUSMLKFOTXMO-UHFFFAOYSA-N 0 3 187.286 2.757 20 0 AFADHN Cc1nc([C@@H](C)NCC2CC2)cs1 36914357 537806037 /nfs/dbraw/zinc/80/60/37/537806037.db2.gz RSBYYICYWFPVMM-SSDOTTSWSA-N 0 3 196.319 2.512 20 0 AFADHN Cc1nc([C@H](C)NCC2CC2)cs1 36914358 537806768 /nfs/dbraw/zinc/80/67/68/537806768.db2.gz RSBYYICYWFPVMM-ZETCQYMHSA-N 0 3 196.319 2.512 20 0 AFADHN CC(C)Nc1cccc(CN(C)C)c1 36979959 537808208 /nfs/dbraw/zinc/80/82/08/537808208.db2.gz MRGLWXKLPIOUPU-UHFFFAOYSA-N 0 3 192.306 2.569 20 0 AFADHN CCCC[C@@H](C)NCc1ccccn1 37213529 537810110 /nfs/dbraw/zinc/81/01/10/537810110.db2.gz PNWRDDWBXSASBJ-LLVKDONJSA-N 0 3 192.306 2.750 20 0 AFADHN CCCC[C@H](C)NCc1ccccn1 37213530 537811325 /nfs/dbraw/zinc/81/13/25/537811325.db2.gz PNWRDDWBXSASBJ-NSHDSACASA-N 0 3 192.306 2.750 20 0 AFADHN CCCC[C@@H](C)NCc1ccco1 37184239 537811698 /nfs/dbraw/zinc/81/16/98/537811698.db2.gz DNSDSBHTDPTKPW-SNVBAGLBSA-N 0 3 181.279 2.948 20 0 AFADHN CCCC[C@H](C)NCc1ccco1 37184240 537811924 /nfs/dbraw/zinc/81/19/24/537811924.db2.gz DNSDSBHTDPTKPW-JTQLQIEISA-N 0 3 181.279 2.948 20 0 AFADHN C[C@H](NCC1CCC1)c1ccco1 37180023 537812572 /nfs/dbraw/zinc/81/25/72/537812572.db2.gz DFWGROVSPVXWIL-VIFPVBQESA-N 0 3 179.263 2.730 20 0 AFADHN CC[C@H](C)CNCc1nc(C)cs1 38090841 537828527 /nfs/dbraw/zinc/82/85/27/537828527.db2.gz KFKINDHTSYUCNC-QMMMGPOBSA-N 0 3 198.335 2.587 20 0 AFADHN Cc1csc(CN[C@H](C)C(C)C)n1 38090641 537831809 /nfs/dbraw/zinc/83/18/09/537831809.db2.gz XDFXXZQUDDAVTH-SECBINFHSA-N 0 3 198.335 2.586 20 0 AFADHN CC[C@@H](C)CNCc1nc(C)cs1 38090840 537832106 /nfs/dbraw/zinc/83/21/06/537832106.db2.gz KFKINDHTSYUCNC-MRVPVSSYSA-N 0 3 198.335 2.587 20 0 AFADHN Cc1csc(CN[C@@H](C)C(C)C)n1 38090640 537832235 /nfs/dbraw/zinc/83/22/35/537832235.db2.gz XDFXXZQUDDAVTH-VIFPVBQESA-N 0 3 198.335 2.586 20 0 AFADHN CC(C)C[C@H](C)NCc1cscn1 40504146 537832535 /nfs/dbraw/zinc/83/25/35/537832535.db2.gz PSKDXVBUWIDAFW-VIFPVBQESA-N 0 3 198.335 2.667 20 0 AFADHN CC[C@H](C)[C@@H](C)NCc1nccs1 41012345 537832653 /nfs/dbraw/zinc/83/26/53/537832653.db2.gz RVNIPQHYTVOPPK-DTWKUNHWSA-N 0 3 198.335 2.667 20 0 AFADHN Cc1nc(CNCC(C)(C)C)cs1 40492766 537832682 /nfs/dbraw/zinc/83/26/82/537832682.db2.gz YOWVYYMMZYDPIL-UHFFFAOYSA-N 0 3 198.335 2.587 20 0 AFADHN CC[C@@H](C)[C@H](C)NCc1nccs1 41012347 537833916 /nfs/dbraw/zinc/83/39/16/537833916.db2.gz RVNIPQHYTVOPPK-BDAKNGLRSA-N 0 3 198.335 2.667 20 0 AFADHN CC[C@@H](C)CNCc1csc(C)n1 41010445 537835801 /nfs/dbraw/zinc/83/58/01/537835801.db2.gz GQJYFTLCBZCMDL-MRVPVSSYSA-N 0 3 198.335 2.587 20 0 AFADHN CC(C)C[C@@H](C)NCc1cscn1 40504145 537837058 /nfs/dbraw/zinc/83/70/58/537837058.db2.gz PSKDXVBUWIDAFW-SECBINFHSA-N 0 3 198.335 2.667 20 0 AFADHN CC(C)NCc1cnc(C2CC2)s1 40996723 537837088 /nfs/dbraw/zinc/83/70/88/537837088.db2.gz KLCDYXCNZKNSQU-UHFFFAOYSA-N 0 3 196.319 2.519 20 0 AFADHN CC[C@H](C)[C@H](C)NCc1nccs1 41012349 537837581 /nfs/dbraw/zinc/83/75/81/537837581.db2.gz RVNIPQHYTVOPPK-IUCAKERBSA-N 0 3 198.335 2.667 20 0 AFADHN CCCC[C@@H](C)NCc1nccs1 41012687 537837682 /nfs/dbraw/zinc/83/76/82/537837682.db2.gz VWDZAEZTFNVFPN-SECBINFHSA-N 0 3 198.335 2.811 20 0 AFADHN CC[C@H](C)CNCc1csc(C)n1 41010446 537837968 /nfs/dbraw/zinc/83/79/68/537837968.db2.gz GQJYFTLCBZCMDL-QMMMGPOBSA-N 0 3 198.335 2.587 20 0 AFADHN CCCNCc1cnc(C2CC2)s1 40996667 537838067 /nfs/dbraw/zinc/83/80/67/537838067.db2.gz OJTGDVISZAMTIX-UHFFFAOYSA-N 0 3 196.319 2.520 20 0 AFADHN CC[C@H](NC(C)C)c1nc(C)cs1 41061620 537839888 /nfs/dbraw/zinc/83/98/88/537839888.db2.gz YSENKXJJMVFTQR-VIFPVBQESA-N 0 3 198.335 2.901 20 0 AFADHN CCCCN(C)Cc1ccco1 41392360 537840206 /nfs/dbraw/zinc/84/02/06/537840206.db2.gz ZPPQVSLMEOTICS-UHFFFAOYSA-N 0 3 167.252 2.512 20 0 AFADHN CCCN[C@@H](CC)c1nccs1 41061294 537840334 /nfs/dbraw/zinc/84/03/34/537840334.db2.gz FRSFTRNPFUMXCL-QMMMGPOBSA-N 0 3 184.308 2.594 20 0 AFADHN CCCN[C@@H](CC)c1nc(C)cs1 41061375 537840355 /nfs/dbraw/zinc/84/03/55/537840355.db2.gz MVDNTEOOLFSZTL-VIFPVBQESA-N 0 3 198.335 2.902 20 0 AFADHN CC[C@@H](NCc1nccs1)C(C)C 41012693 537840847 /nfs/dbraw/zinc/84/08/47/537840847.db2.gz GKKYFCLLJDRJMM-SECBINFHSA-N 0 3 198.335 2.667 20 0 AFADHN CC[C@H](NCc1nccs1)C(C)C 41012691 537841483 /nfs/dbraw/zinc/84/14/83/537841483.db2.gz GKKYFCLLJDRJMM-VIFPVBQESA-N 0 3 198.335 2.667 20 0 AFADHN CC[C@@H](NC(C)C)c1nc(C)cs1 41061621 537841810 /nfs/dbraw/zinc/84/18/10/537841810.db2.gz YSENKXJJMVFTQR-SECBINFHSA-N 0 3 198.335 2.901 20 0 AFADHN CCCN[C@@H](C)c1nc(C)cs1 41061373 537841833 /nfs/dbraw/zinc/84/18/33/537841833.db2.gz VHNYDCUZIHFQJU-QMMMGPOBSA-N 0 3 184.308 2.512 20 0 AFADHN Cc1csc(CNCC(C)(C)C)n1 41051467 537842522 /nfs/dbraw/zinc/84/25/22/537842522.db2.gz RFKCCNVZGYUJBF-UHFFFAOYSA-N 0 3 198.335 2.587 20 0 AFADHN CCCC[C@H](C)NCc1nccs1 41012689 537843606 /nfs/dbraw/zinc/84/36/06/537843606.db2.gz VWDZAEZTFNVFPN-VIFPVBQESA-N 0 3 198.335 2.811 20 0 AFADHN CC[C@H](C)[C@@H](C)NCc1cc(C)on1 44692570 537849848 /nfs/dbraw/zinc/84/98/48/537849848.db2.gz JXVFPRXGJLVOIN-WCBMZHEXSA-N 0 3 196.294 2.507 20 0 AFADHN CC[C@@H](C)[C@H](C)NCc1cc(C)no1 44986054 537849937 /nfs/dbraw/zinc/84/99/37/537849937.db2.gz FSBINRVNEWHPCM-SCZZXKLOSA-N 0 3 196.294 2.507 20 0 AFADHN Cc1cnc([C@@H](C)NCC2CC2)s1 45205657 537850184 /nfs/dbraw/zinc/85/01/84/537850184.db2.gz NOSIXFNJXFYCFY-MRVPVSSYSA-N 0 3 196.319 2.512 20 0 AFADHN CC[C@@H](C)[C@@H](C)NCc1cc(C)on1 44692569 537850231 /nfs/dbraw/zinc/85/02/31/537850231.db2.gz JXVFPRXGJLVOIN-PSASIEDQSA-N 0 3 196.294 2.507 20 0 AFADHN CC[C@H](C)[C@H](C)NCc1cc(C)no1 44986058 537850363 /nfs/dbraw/zinc/85/03/63/537850363.db2.gz FSBINRVNEWHPCM-WPRPVWTQSA-N 0 3 196.294 2.507 20 0 AFADHN CC[C@H](C)[C@@H](C)NCc1cc(C)no1 44986051 537850444 /nfs/dbraw/zinc/85/04/44/537850444.db2.gz FSBINRVNEWHPCM-WCBMZHEXSA-N 0 3 196.294 2.507 20 0 AFADHN Cc1cnc([C@H](C)NCC2CC2)s1 45205658 537850559 /nfs/dbraw/zinc/85/05/59/537850559.db2.gz NOSIXFNJXFYCFY-QMMMGPOBSA-N 0 3 196.319 2.512 20 0 AFADHN CC[C@@H](NCc1cc(C)on1)C(C)C 44692920 537850880 /nfs/dbraw/zinc/85/08/80/537850880.db2.gz MMLXEYYUOIZBDY-LLVKDONJSA-N 0 3 196.294 2.507 20 0 AFADHN CC[C@@H](C)[C@H](C)NCc1cc(C)on1 44692572 537850968 /nfs/dbraw/zinc/85/09/68/537850968.db2.gz JXVFPRXGJLVOIN-SCZZXKLOSA-N 0 3 196.294 2.507 20 0 AFADHN Cc1csc([C@H](C)NCC2CC2)n1 45205656 537851345 /nfs/dbraw/zinc/85/13/45/537851345.db2.gz HLEGBMCCBDVAET-QMMMGPOBSA-N 0 3 196.319 2.512 20 0 AFADHN CCC(CC)CNCc1cc(C)no1 44985490 537852459 /nfs/dbraw/zinc/85/24/59/537852459.db2.gz HYPSWAKJNFNODS-UHFFFAOYSA-N 0 3 196.294 2.509 20 0 AFADHN Cc1csc([C@@H](C)NCC2CC2)n1 45205655 537852779 /nfs/dbraw/zinc/85/27/79/537852779.db2.gz HLEGBMCCBDVAET-MRVPVSSYSA-N 0 3 196.319 2.512 20 0 AFADHN Cc1cc(CNCCC(C)(C)C)on1 44990914 537852724 /nfs/dbraw/zinc/85/27/24/537852724.db2.gz XRSNGGRMSNVHGA-UHFFFAOYSA-N 0 3 196.294 2.509 20 0 AFADHN CCCC[C@@H](C)NCc1cc(C)no1 44986916 537853316 /nfs/dbraw/zinc/85/33/16/537853316.db2.gz OGEMBYLYBYTMCH-SECBINFHSA-N 0 3 196.294 2.651 20 0 AFADHN CC[C@H](NCc1cc(C)on1)C(C)C 44692918 537853348 /nfs/dbraw/zinc/85/33/48/537853348.db2.gz MMLXEYYUOIZBDY-NSHDSACASA-N 0 3 196.294 2.507 20 0 AFADHN CC[C@H](C)[C@H](C)NCc1cc(C)on1 44692574 537853374 /nfs/dbraw/zinc/85/33/74/537853374.db2.gz JXVFPRXGJLVOIN-WPRPVWTQSA-N 0 3 196.294 2.507 20 0 AFADHN CCCC[C@H](C)NCc1cc(C)no1 44986919 537853428 /nfs/dbraw/zinc/85/34/28/537853428.db2.gz OGEMBYLYBYTMCH-VIFPVBQESA-N 0 3 196.294 2.651 20 0 AFADHN CC[C@@H](NCc1cc(C)no1)C(C)C 44986925 537853664 /nfs/dbraw/zinc/85/36/64/537853664.db2.gz ZCERFEHCUOTGID-LLVKDONJSA-N 0 3 196.294 2.507 20 0 AFADHN CCC(CC)CNCc1cc(C)on1 44692217 537854115 /nfs/dbraw/zinc/85/41/15/537854115.db2.gz NGAINSLGZDXDCT-UHFFFAOYSA-N 0 3 196.294 2.509 20 0 AFADHN CC[C@H](NCc1cc(C)no1)C(C)C 44986922 537854482 /nfs/dbraw/zinc/85/44/82/537854482.db2.gz ZCERFEHCUOTGID-NSHDSACASA-N 0 3 196.294 2.507 20 0 AFADHN CC[C@@H](C)[C@@H](C)NCc1cc(C)no1 44986048 537854659 /nfs/dbraw/zinc/85/46/59/537854659.db2.gz FSBINRVNEWHPCM-PSASIEDQSA-N 0 3 196.294 2.507 20 0 AFADHN CCCN[C@@H](C)c1ncc(C)s1 45206267 537858060 /nfs/dbraw/zinc/85/80/60/537858060.db2.gz DBMSAUGPTRCAND-QMMMGPOBSA-N 0 3 184.308 2.512 20 0 AFADHN CCCCNCc1nc(C)c(C)s1 49811908 537858100 /nfs/dbraw/zinc/85/81/00/537858100.db2.gz VRLIRTIHCWWXFQ-UHFFFAOYSA-N 0 3 198.335 2.650 20 0 AFADHN Cc1nc(CNC(C)(C)C)sc1C 49811913 537858655 /nfs/dbraw/zinc/85/86/55/537858655.db2.gz CIWQXZYLXPISTH-UHFFFAOYSA-N 0 3 198.335 2.648 20 0 AFADHN CC[C@@H](C)NCc1nc(C)c(C)s1 49811910 537859644 /nfs/dbraw/zinc/85/96/44/537859644.db2.gz UEAZJLTYADNQPZ-SSDOTTSWSA-N 0 3 198.335 2.648 20 0 AFADHN CCCN[C@H](C)c1ncc(C)s1 45206268 537860297 /nfs/dbraw/zinc/86/02/97/537860297.db2.gz DBMSAUGPTRCAND-MRVPVSSYSA-N 0 3 184.308 2.512 20 0 AFADHN CC[C@H](C)NCc1nc(C)c(C)s1 49811911 537860632 /nfs/dbraw/zinc/86/06/32/537860632.db2.gz UEAZJLTYADNQPZ-ZETCQYMHSA-N 0 3 198.335 2.648 20 0 AFADHN Cc1cc(C2CCCC2)cc(N)n1 84444449 537911584 /nfs/dbraw/zinc/91/15/84/537911584.db2.gz OSWKZWZPSWLPBJ-UHFFFAOYSA-N 0 3 176.263 2.630 20 0 AFADHN CC(C)(N)[C@H](F)c1cccc(F)c1 107275885 537958168 /nfs/dbraw/zinc/95/81/68/537958168.db2.gz MSXOHYQJHLRJCJ-SECBINFHSA-N 0 3 185.217 2.574 20 0 AFADHN CC(C)(N)[C@@H](F)c1ccc(F)cc1 107276524 537958798 /nfs/dbraw/zinc/95/87/98/537958798.db2.gz HNKZGDBLWLNGQB-VIFPVBQESA-N 0 3 185.217 2.574 20 0 AFADHN CC(C)(N)[C@@H](F)c1cccc(F)c1 107275887 537959443 /nfs/dbraw/zinc/95/94/43/537959443.db2.gz MSXOHYQJHLRJCJ-VIFPVBQESA-N 0 3 185.217 2.574 20 0 AFADHN CC(C)(N)[C@H](F)c1ccc(F)cc1 107276521 537959999 /nfs/dbraw/zinc/95/99/99/537959999.db2.gz HNKZGDBLWLNGQB-SECBINFHSA-N 0 3 185.217 2.574 20 0 AFADHN CC(C)N1CCc2cc(F)ccc2C1 142429592 537994333 /nfs/dbraw/zinc/99/43/33/537994333.db2.gz OKPVMISECHMDHV-UHFFFAOYSA-N 0 3 193.265 2.592 20 0 AFADHN C[C@H]1CCCN1Cc1ccc(F)cc1 140112016 537995012 /nfs/dbraw/zinc/99/50/12/537995012.db2.gz XKGLXSOWYBJWHY-JTQLQIEISA-N 0 3 193.265 2.810 20 0 AFADHN C[C@@H]1CCCN1Cc1ccc(F)cc1 140111869 537995718 /nfs/dbraw/zinc/99/57/18/537995718.db2.gz XKGLXSOWYBJWHY-SNVBAGLBSA-N 0 3 193.265 2.810 20 0 AFADHN Cc1ccc(F)cc1CN1CCCC1 146704829 537998646 /nfs/dbraw/zinc/99/86/46/537998646.db2.gz AULLUOCEINMBAA-UHFFFAOYSA-N 0 3 193.265 2.730 20 0 AFADHN Cc1ccc(CN2CCCCCC2)o1 146956478 538001507 /nfs/dbraw/zinc/00/15/07/538001507.db2.gz VJTTXNFYXCHVLS-UHFFFAOYSA-N 0 3 193.290 2.964 20 0 AFADHN CCc1ccc(CN(CC)CC)o1 147511792 538005244 /nfs/dbraw/zinc/00/52/44/538005244.db2.gz IDEYKPDXHNKNJB-UHFFFAOYSA-N 0 3 181.279 2.684 20 0 AFADHN CC(C)N1CC[C@@H]1c1cccc(F)c1 149855141 538007689 /nfs/dbraw/zinc/00/76/89/538007689.db2.gz PHPJPCOLUNWBRI-GFCCVEGCSA-N 0 3 193.265 2.981 20 0 AFADHN CC(C)N1CC[C@H]1c1cccc(F)c1 149855289 538010182 /nfs/dbraw/zinc/01/01/82/538010182.db2.gz PHPJPCOLUNWBRI-LBPRGKRZSA-N 0 3 193.265 2.981 20 0 AFADHN CCCCN(CC)Cc1ccncc1 149732330 538010812 /nfs/dbraw/zinc/01/08/12/538010812.db2.gz AASHFTFTXMVPNZ-UHFFFAOYSA-N 0 3 192.306 2.704 20 0 AFADHN C[C@@H]1CCCN(Cc2ccsc2)C1 150069098 538012921 /nfs/dbraw/zinc/01/29/21/538012921.db2.gz PUCSSTXXGGXMCH-SNVBAGLBSA-N 0 3 195.331 2.980 20 0 AFADHN C[C@H](NC1CC=CC1)c1ccoc1 157355766 538021263 /nfs/dbraw/zinc/02/12/63/538021263.db2.gz NXAQLDGMGUVZCV-VIFPVBQESA-N 0 3 177.247 2.649 20 0 AFADHN C[C@H](NC1CC=CC1)c1cncs1 157335838 538023666 /nfs/dbraw/zinc/02/36/66/538023666.db2.gz ABPLBVPBGGKOMR-QMMMGPOBSA-N 0 3 194.303 2.512 20 0 AFADHN Cc1ccc([C@@H](C)NC2CC=CC2)o1 157354183 538024064 /nfs/dbraw/zinc/02/40/64/538024064.db2.gz QLBMGKLKSCFIER-SNVBAGLBSA-N 0 3 191.274 2.957 20 0 AFADHN Cc1ccc([C@H](C)NC2CC=CC2)o1 157354313 538024400 /nfs/dbraw/zinc/02/44/00/538024400.db2.gz QLBMGKLKSCFIER-JTQLQIEISA-N 0 3 191.274 2.957 20 0 AFADHN C[C@@H](NC1CC=CC1)c1cncs1 157336009 538024610 /nfs/dbraw/zinc/02/46/10/538024610.db2.gz ABPLBVPBGGKOMR-MRVPVSSYSA-N 0 3 194.303 2.512 20 0 AFADHN C[C@@H](NC1CC=CC1)c1ccoc1 157355920 538024926 /nfs/dbraw/zinc/02/49/26/538024926.db2.gz NXAQLDGMGUVZCV-SECBINFHSA-N 0 3 177.247 2.649 20 0 AFADHN Cc1ccoc1CN[C@H](C)C1CCC1 160178556 538039288 /nfs/dbraw/zinc/03/92/88/538039288.db2.gz PNAOODZCBHKUMX-SNVBAGLBSA-N 0 3 297.314 2.013 20 0 AFADHN Cc1ccc(CNC2(C)CCC2)o1 159995683 538040734 /nfs/dbraw/zinc/04/07/34/538040734.db2.gz AKEIKKDTOBPBNI-UHFFFAOYSA-N 0 3 179.263 2.620 20 0 AFADHN Cc1ccoc1CNC1(C)CCC1 160007246 538041184 /nfs/dbraw/zinc/04/11/84/538041184.db2.gz XOVHYRQDMFZYDH-UHFFFAOYSA-N 0 3 179.263 2.620 20 0 AFADHN CC1(NCc2ccccc2F)CCC1 160010391 538041317 /nfs/dbraw/zinc/04/13/17/538041317.db2.gz XWIXEAXKFNKZAV-UHFFFAOYSA-N 0 3 193.265 2.858 20 0 AFADHN CC1(NCc2ccc(Cl)o2)CCC1 160008410 538042680 /nfs/dbraw/zinc/04/26/80/538042680.db2.gz XQSVEWRFLAXFBE-UHFFFAOYSA-N 0 3 199.681 2.965 20 0 AFADHN C[C@H](NCCC1CC1)c1cscn1 161771081 538066827 /nfs/dbraw/zinc/06/68/27/538066827.db2.gz NWQFZIUWEZHNDW-QMMMGPOBSA-N 0 3 196.319 2.594 20 0 AFADHN C[C@@H](NCCC1CC1)c1cscn1 161771241 538067247 /nfs/dbraw/zinc/06/72/47/538067247.db2.gz NWQFZIUWEZHNDW-MRVPVSSYSA-N 0 3 196.319 2.594 20 0 AFADHN CCC1(CNCc2ccco2)CC1 165460659 538152804 /nfs/dbraw/zinc/15/28/04/538152804.db2.gz BDWGSYBZWGCQKF-UHFFFAOYSA-N 0 3 179.263 2.559 20 0 AFADHN CCC1(CNCc2ccco2)CCC1 165582921 538154072 /nfs/dbraw/zinc/15/40/72/538154072.db2.gz QTAVEUMXBNTYJH-UHFFFAOYSA-N 0 3 193.290 2.950 20 0 AFADHN CC(C)C1(CNCc2ccco2)CC1 165598360 538154742 /nfs/dbraw/zinc/15/47/42/538154742.db2.gz QGOXQPAUIRMLIJ-UHFFFAOYSA-N 0 3 193.290 2.805 20 0 AFADHN CCC1(CNCc2ccc(C)o2)CC1 165457129 538155139 /nfs/dbraw/zinc/15/51/39/538155139.db2.gz DUWFQOCGESNTHU-UHFFFAOYSA-N 0 3 193.290 2.868 20 0 AFADHN CCC1(CNCc2occc2C)CC1 165465062 538155549 /nfs/dbraw/zinc/15/55/49/538155549.db2.gz RQESBBUYBDBWTP-UHFFFAOYSA-N 0 3 193.290 2.868 20 0 AFADHN CCc1ccc([C@@H](C)NC2CC2)o1 166200291 538156952 /nfs/dbraw/zinc/15/69/52/538156952.db2.gz WXXXYMDTEBIPMW-MRVPVSSYSA-N 0 3 179.263 2.655 20 0 AFADHN CCCC1(CNCc2ccco2)CC1 165972301 538158210 /nfs/dbraw/zinc/15/82/10/538158210.db2.gz YFMMKGOVUUZLQR-UHFFFAOYSA-N 0 3 193.290 2.950 20 0 AFADHN CCc1ccc([C@H](C)NC2CC2)o1 166200415 538158346 /nfs/dbraw/zinc/15/83/46/538158346.db2.gz WXXXYMDTEBIPMW-QMMMGPOBSA-N 0 3 179.263 2.655 20 0 AFADHN CCc1ccc([C@H](C)NCC2CC2)o1 166578087 538159899 /nfs/dbraw/zinc/15/98/99/538159899.db2.gz XOLNIJFVJBUWEJ-VIFPVBQESA-N 0 3 193.290 2.903 20 0 AFADHN CCc1ccc([C@@H](C)NCC2CC2)o1 166577974 538162078 /nfs/dbraw/zinc/16/20/78/538162078.db2.gz XOLNIJFVJBUWEJ-SECBINFHSA-N 0 3 193.290 2.903 20 0 AFADHN CC[C@@H](C)NCc1cc(C(C)C)no1 167735987 538171971 /nfs/dbraw/zinc/17/19/71/538171971.db2.gz QRZJUEJCQJTJNR-SECBINFHSA-N 0 3 196.294 2.686 20 0 AFADHN CC[C@H](C)NCc1cc(C(C)C)no1 167736103 538172228 /nfs/dbraw/zinc/17/22/28/538172228.db2.gz QRZJUEJCQJTJNR-VIFPVBQESA-N 0 3 196.294 2.686 20 0 AFADHN Cc1cnc(CN[C@@H](C)C(C)C)s1 168352802 538175806 /nfs/dbraw/zinc/17/58/06/538175806.db2.gz DXLPCRHWNHKUCJ-VIFPVBQESA-N 0 3 198.335 2.586 20 0 AFADHN CCC[C@H](C)NCc1ncc(C)s1 168353900 538176100 /nfs/dbraw/zinc/17/61/00/538176100.db2.gz AOWIVNMTNWRKGS-QMMMGPOBSA-N 0 3 198.335 2.730 20 0 AFADHN CCc1cnc(CN[C@@H](C)CC)s1 168408740 538176702 /nfs/dbraw/zinc/17/67/02/538176702.db2.gz MDSQFEFFBVNVAD-QMMMGPOBSA-N 0 3 198.335 2.594 20 0 AFADHN CCc1cnc(CN[C@H](C)CC)s1 168408829 538177264 /nfs/dbraw/zinc/17/72/64/538177264.db2.gz MDSQFEFFBVNVAD-MRVPVSSYSA-N 0 3 198.335 2.594 20 0 AFADHN CCC[C@@H](C)NCc1ncc(C)s1 168353796 538178354 /nfs/dbraw/zinc/17/83/54/538178354.db2.gz AOWIVNMTNWRKGS-MRVPVSSYSA-N 0 3 198.335 2.730 20 0 AFADHN Cc1cnc(CN[C@H](C)C(C)C)s1 168352918 538178686 /nfs/dbraw/zinc/17/86/86/538178686.db2.gz DXLPCRHWNHKUCJ-SECBINFHSA-N 0 3 198.335 2.586 20 0 AFADHN C[C@H]1CCN(Cc2ccc(F)cc2)C1 201323262 538184930 /nfs/dbraw/zinc/18/49/30/538184930.db2.gz HIMUNMGFHFRPSN-JTQLQIEISA-N 0 3 193.265 2.668 20 0 AFADHN CCC1CCN(Cc2ccco2)CC1 222733154 538196255 /nfs/dbraw/zinc/19/62/55/538196255.db2.gz LDVBCUKHQDHJQY-UHFFFAOYSA-N 0 3 193.290 2.902 20 0 AFADHN CCCCNCc1ncc(CC)s1 230141001 538205014 /nfs/dbraw/zinc/20/50/14/538205014.db2.gz DWOCLDGUNGBFPN-UHFFFAOYSA-N 0 3 198.335 2.595 20 0 AFADHN CCc1ccc(CNCC2(C)CC2)o1 230198125 538208352 /nfs/dbraw/zinc/20/83/52/538208352.db2.gz IIXZKABLQQRYNY-UHFFFAOYSA-N 0 3 193.290 2.732 20 0 AFADHN C[C@@H]1CC[C@H](CNCc2ccco2)C1 230411541 538210258 /nfs/dbraw/zinc/21/02/58/538210258.db2.gz MWXXPFZLUFLRQL-MNOVXSKESA-N 0 3 193.290 2.805 20 0 AFADHN C[C@@H]1CC[C@@H](CNCc2ccco2)C1 230411534 538211345 /nfs/dbraw/zinc/21/13/45/538211345.db2.gz MWXXPFZLUFLRQL-GHMZBOCLSA-N 0 3 193.290 2.805 20 0 AFADHN C[C@H]1CC[C@H](CNCc2ccco2)C1 230411544 538211538 /nfs/dbraw/zinc/21/15/38/538211538.db2.gz MWXXPFZLUFLRQL-QWRGUYRKSA-N 0 3 193.290 2.805 20 0 AFADHN C[C@H]1CC[C@@H](CNCc2ccco2)C1 230411538 538212362 /nfs/dbraw/zinc/21/23/62/538212362.db2.gz MWXXPFZLUFLRQL-WDEREUQCSA-N 0 3 193.290 2.805 20 0 AFADHN CCC(C)(C)CNCc1cncs1 230695867 538213629 /nfs/dbraw/zinc/21/36/29/538213629.db2.gz GNUQBPQOGXLRDO-UHFFFAOYSA-N 0 3 198.335 2.669 20 0 AFADHN CCCCCNCc1ncc(C)s1 231788561 538220412 /nfs/dbraw/zinc/22/04/12/538220412.db2.gz OXSKLQNIQQRGQD-UHFFFAOYSA-N 0 3 198.335 2.731 20 0 AFADHN Cc1cnc(CNCCC(C)C)s1 231788575 538221503 /nfs/dbraw/zinc/22/15/03/538221503.db2.gz BTLYANCHGMTBCN-UHFFFAOYSA-N 0 3 198.335 2.587 20 0 AFADHN CC(C)=CCNCc1scnc1C 232620436 538229341 /nfs/dbraw/zinc/22/93/41/538229341.db2.gz TYCYMHQJMUHZRP-UHFFFAOYSA-N 0 3 196.319 2.507 20 0 AFADHN CC(C)=CCNCc1cccc(F)c1 232617146 538229545 /nfs/dbraw/zinc/22/95/45/538229545.db2.gz FULZZDBJRVFSGO-UHFFFAOYSA-N 0 3 193.265 2.882 20 0 AFADHN CC(C)=CCNCc1ccsc1 232618507 538229640 /nfs/dbraw/zinc/22/96/40/538229640.db2.gz QNXMPPAWLDHLDJ-UHFFFAOYSA-N 0 3 181.304 2.804 20 0 AFADHN CC(C)=CCN[C@H](C)c1cncs1 235214542 538242405 /nfs/dbraw/zinc/24/24/05/538242405.db2.gz KWIXMBXGAFRMRY-SECBINFHSA-N 0 3 196.319 2.760 20 0 AFADHN CC(C)=CCN[C@@H](C)c1cncs1 235515489 538246609 /nfs/dbraw/zinc/24/66/09/538246609.db2.gz KWIXMBXGAFRMRY-VIFPVBQESA-N 0 3 196.319 2.760 20 0 AFADHN CC(C)N(C)Cc1ccc(F)c(F)c1 259982377 538293818 /nfs/dbraw/zinc/29/38/18/538293818.db2.gz IUZSPHCTMKWLMZ-UHFFFAOYSA-N 0 3 199.244 2.805 20 0 AFADHN CCCCN(C)CCC(F)(F)F 379321525 538344556 /nfs/dbraw/zinc/34/45/56/538344556.db2.gz CSNNDAATGHVAIM-UHFFFAOYSA-N 0 3 183.217 2.671 20 0 AFADHN Cc1ccsc1[C@H](C)NCCF 379325574 538346500 /nfs/dbraw/zinc/34/65/00/538346500.db2.gz CXLYNZZBDWMADL-QMMMGPOBSA-N 0 3 187.283 2.677 20 0 AFADHN Cc1ccsc1[C@@H](C)NCCF 379325573 538346910 /nfs/dbraw/zinc/34/69/10/538346910.db2.gz CXLYNZZBDWMADL-MRVPVSSYSA-N 0 3 187.283 2.677 20 0 AFADHN CCN(CC)Cc1ccc(Cl)o1 379337676 538355324 /nfs/dbraw/zinc/35/53/24/538355324.db2.gz YUJWLZCHRFKAPQ-UHFFFAOYSA-N 0 3 187.670 2.775 20 0 AFADHN CCC[C@H](C)N(C)Cc1cncs1 379352551 538356282 /nfs/dbraw/zinc/35/62/82/538356282.db2.gz BWCWDSHMLOREJW-VIFPVBQESA-N 0 3 198.335 2.764 20 0 AFADHN CCC[C@@H](C)N(C)Cc1cncs1 379352550 538357072 /nfs/dbraw/zinc/35/70/72/538357072.db2.gz BWCWDSHMLOREJW-SECBINFHSA-N 0 3 198.335 2.764 20 0 AFADHN CCC(C)(C)NCc1ncc(C)s1 379355921 538360735 /nfs/dbraw/zinc/36/07/35/538360735.db2.gz MNCIHFRFJLRKQF-UHFFFAOYSA-N 0 3 198.335 2.730 20 0 AFADHN CCCN(CC)Cc1ccc(C)o1 379365552 538368424 /nfs/dbraw/zinc/36/84/24/538368424.db2.gz PFQVTKRBJPHLCB-UHFFFAOYSA-N 0 3 181.279 2.820 20 0 AFADHN CN(Cc1ccco1)CC1(C)CC1 379381601 538372933 /nfs/dbraw/zinc/37/29/33/538372933.db2.gz HDZDETNKDXOTHE-UHFFFAOYSA-N 0 3 179.263 2.512 20 0 AFADHN CC1(CCNCc2ccco2)CC1 379386014 538383381 /nfs/dbraw/zinc/38/33/81/538383381.db2.gz WATAIMDEKGYDLA-UHFFFAOYSA-N 0 3 179.263 2.559 20 0 AFADHN CC(C)=CCNCc1ccoc1C 379389242 538384421 /nfs/dbraw/zinc/38/44/21/538384421.db2.gz LDNWHTTYLOJXLE-UHFFFAOYSA-N 0 3 179.263 2.644 20 0 AFADHN CC[C@H](C)N(C)Cc1ccoc1C 379408102 538399795 /nfs/dbraw/zinc/39/97/95/538399795.db2.gz AKNQVEJAOBUSQC-VIFPVBQESA-N 0 3 181.279 2.818 20 0 AFADHN CC[C@@H](C)N(C)Cc1ccoc1C 379408101 538400663 /nfs/dbraw/zinc/40/06/63/538400663.db2.gz AKNQVEJAOBUSQC-SECBINFHSA-N 0 3 181.279 2.818 20 0 AFADHN CCN(C)Cc1ccccc1SC 379406072 538402243 /nfs/dbraw/zinc/40/22/43/538402243.db2.gz VLPJQEMCTOUCBR-UHFFFAOYSA-N 0 3 195.331 2.860 20 0 AFADHN CCc1ccc(CN(C)C2CC2)s1 379414102 538406189 /nfs/dbraw/zinc/40/61/89/538406189.db2.gz NHZSGARVJSXLHD-UHFFFAOYSA-N 0 3 195.331 2.905 20 0 AFADHN CN(Cc1ccsc1)CC1(C)CC1 379411847 538407688 /nfs/dbraw/zinc/40/76/88/538407688.db2.gz IZOLPPUNGGQFRL-UHFFFAOYSA-N 0 3 195.331 2.980 20 0 AFADHN CCCNC(C)(C)c1ncc(C)s1 379419023 538411050 /nfs/dbraw/zinc/41/10/50/538411050.db2.gz XENWIUOKYQGHEY-UHFFFAOYSA-N 0 3 198.335 2.686 20 0 AFADHN FCCN[C@@H](c1ccccc1)C1CC1 379510473 538412582 /nfs/dbraw/zinc/41/25/82/538412582.db2.gz QYIOJFUOBOARFV-LBPRGKRZSA-N 0 3 193.265 2.697 20 0 AFADHN FCCN[C@H](c1ccccc1)C1CC1 379510466 538412650 /nfs/dbraw/zinc/41/26/50/538412650.db2.gz QYIOJFUOBOARFV-GFCCVEGCSA-N 0 3 193.265 2.697 20 0 AFADHN Cc1cc(C)c(CNCCF)cc1C 379500767 538412699 /nfs/dbraw/zinc/41/26/99/538412699.db2.gz JRRLVPIAASLPFN-UHFFFAOYSA-N 0 3 195.281 2.671 20 0 AFADHN Cc1ccc([C@H](C)NCCF)c(C)c1 379501613 538412846 /nfs/dbraw/zinc/41/28/46/538412846.db2.gz KLAKTTGKZXUPBK-NSHDSACASA-N 0 3 195.281 2.924 20 0 AFADHN CCc1ccc([C@H](C)NCCCF)o1 379544261 538413415 /nfs/dbraw/zinc/41/34/15/538413415.db2.gz UFOFBZJPFSCBQM-VIFPVBQESA-N 0 3 199.269 2.852 20 0 AFADHN CCc1ccc([C@@H](C)NCCCF)o1 379544260 538413507 /nfs/dbraw/zinc/41/35/07/538413507.db2.gz UFOFBZJPFSCBQM-SECBINFHSA-N 0 3 199.269 2.852 20 0 AFADHN Cc1ccc([C@@H](C)NCCF)c(C)c1 379501611 538413687 /nfs/dbraw/zinc/41/36/87/538413687.db2.gz KLAKTTGKZXUPBK-LLVKDONJSA-N 0 3 195.281 2.924 20 0 AFADHN Cc1cc(C)c(CNCCF)c(C)c1 379509262 538413768 /nfs/dbraw/zinc/41/37/68/538413768.db2.gz PQXCFFKPJWJDOP-UHFFFAOYSA-N 0 3 195.281 2.671 20 0 AFADHN C[C@H](NC1(C2CC2)CC1)c1ccoc1 379650555 538426296 /nfs/dbraw/zinc/42/62/96/538426296.db2.gz FDBQJECCZNJMAL-VIFPVBQESA-N 0 3 191.274 2.873 20 0 AFADHN CC(C)=CCCNCc1ccccn1 379598696 538419698 /nfs/dbraw/zinc/41/96/98/538419698.db2.gz HTTIYBMSUUJEBS-UHFFFAOYSA-N 0 3 190.290 2.528 20 0 AFADHN C/C(=C/c1ccccc1)CNCCF 379594082 538420048 /nfs/dbraw/zinc/42/00/48/538420048.db2.gz CHVAURHULCAJKK-LUAWRHEFSA-N 0 3 193.265 2.649 20 0 AFADHN CCCC(CCC)NCc1cocn1 379593414 538420197 /nfs/dbraw/zinc/42/01/97/538420197.db2.gz BRKXXBXGFQWQLO-UHFFFAOYSA-N 0 3 196.294 2.733 20 0 AFADHN C/C(=C\c1ccccc1)CNCCF 379594084 538420554 /nfs/dbraw/zinc/42/05/54/538420554.db2.gz CHVAURHULCAJKK-PKNBQFBNSA-N 0 3 193.265 2.649 20 0 AFADHN Cc1cc([C@@H](C)NCC(C)(C)C)no1 379618934 538422786 /nfs/dbraw/zinc/42/27/86/538422786.db2.gz CANGDVZUPKXDJT-SECBINFHSA-N 0 3 196.294 2.680 20 0 AFADHN Cc1cc([C@H](C)NCC(C)(C)C)no1 379618935 538422863 /nfs/dbraw/zinc/42/28/63/538422863.db2.gz CANGDVZUPKXDJT-VIFPVBQESA-N 0 3 196.294 2.680 20 0 AFADHN Cc1ccoc1CNCCC1(C)CC1 379617978 538423167 /nfs/dbraw/zinc/42/31/67/538423167.db2.gz ASRVFBBCWGQKOV-UHFFFAOYSA-N 0 3 193.290 2.868 20 0 AFADHN Cc1cc(C)cc(CN[C@H](C)CF)c1 379618943 538423476 /nfs/dbraw/zinc/42/34/76/538423476.db2.gz CAXIHTUBZWBXPI-LLVKDONJSA-N 0 3 195.281 2.751 20 0 AFADHN FCCNC1(c2ccccc2)CCC1 379641733 538424809 /nfs/dbraw/zinc/42/48/09/538424809.db2.gz VMYBAAUJEAIVGM-UHFFFAOYSA-N 0 3 193.265 2.625 20 0 AFADHN Cc1ccc(CN[C@H](C)CF)c(C)c1 379625853 538424823 /nfs/dbraw/zinc/42/48/23/538424823.db2.gz JVPSEJDCPMAYEF-LLVKDONJSA-N 0 3 195.281 2.751 20 0 AFADHN C[C@H](CF)NC/C=C/c1ccccc1 379656641 538426209 /nfs/dbraw/zinc/42/62/09/538426209.db2.gz LMLFMMROHBXXIY-AYLMVEPYSA-N 0 3 193.265 2.647 20 0 AFADHN Cc1ccc(CNCCC2(C)CC2)o1 379656346 538426328 /nfs/dbraw/zinc/42/63/28/538426328.db2.gz LBFVXGAJWILJCT-UHFFFAOYSA-N 0 3 193.290 2.868 20 0 AFADHN C[C@@H](NC1(C2CC2)CC1)c1ccoc1 379650550 538426372 /nfs/dbraw/zinc/42/63/72/538426372.db2.gz FDBQJECCZNJMAL-SECBINFHSA-N 0 3 191.274 2.873 20 0 AFADHN C[C@H](CF)NC/C=C\c1ccccc1 379656646 538426511 /nfs/dbraw/zinc/42/65/11/538426511.db2.gz LMLFMMROHBXXIY-UIJKISKDSA-N 0 3 193.265 2.647 20 0 AFADHN Cc1ccc(CNC2(C3CC3)CC2)o1 379667935 538427280 /nfs/dbraw/zinc/42/72/80/538427280.db2.gz ZGYRNJPSXXZLQL-UHFFFAOYSA-N 0 3 191.274 2.620 20 0 AFADHN CCN(CC)Cc1ccc(Cl)cn1 388328064 538431418 /nfs/dbraw/zinc/43/14/18/538431418.db2.gz CTXMSKZQSCSZSD-UHFFFAOYSA-N 0 3 198.697 2.577 20 0 AFADHN CCCN(CC)Cc1scnc1C 388311894 538431134 /nfs/dbraw/zinc/43/11/34/538431134.db2.gz SEAZYNMPCDYENK-UHFFFAOYSA-N 0 3 198.335 2.683 20 0 AFADHN CN(Cc1cncs1)CC(C)(C)C 388331059 538431428 /nfs/dbraw/zinc/43/14/28/538431428.db2.gz FCGLGIPSPMAOLF-UHFFFAOYSA-N 0 3 198.335 2.621 20 0 AFADHN CN(CCCF)Cc1cccs1 388466230 538432809 /nfs/dbraw/zinc/43/28/09/538432809.db2.gz JMFYGCVJFZYSBL-UHFFFAOYSA-N 0 3 187.283 2.540 20 0 AFADHN CCc1ccc(CN(C)C(C)C)o1 388627961 538435286 /nfs/dbraw/zinc/43/52/86/538435286.db2.gz JSFYARNJLDKTTA-UHFFFAOYSA-N 0 3 181.279 2.682 20 0 AFADHN CC(C)=CCCNCc1ccco1 388658606 538435489 /nfs/dbraw/zinc/43/54/89/538435489.db2.gz UPZMGBGBRRGUKN-UHFFFAOYSA-N 0 3 179.263 2.726 20 0 AFADHN COc1ccsc1CN(C)C(C)C 388665455 538435912 /nfs/dbraw/zinc/43/59/12/538435912.db2.gz WOBAMLRAXJURBV-UHFFFAOYSA-N 0 3 199.319 2.597 20 0 AFADHN Cc1ccc([C@H](C)NCCF)cc1C 388694664 538436091 /nfs/dbraw/zinc/43/60/91/538436091.db2.gz LUVMZSXVSQFCHJ-NSHDSACASA-N 0 3 195.281 2.924 20 0 AFADHN Cc1ccc([C@@H](C)NCCF)cc1C 388694656 538436486 /nfs/dbraw/zinc/43/64/86/538436486.db2.gz LUVMZSXVSQFCHJ-LLVKDONJSA-N 0 3 195.281 2.924 20 0 AFADHN CC[C@H]1CC[C@H]1NCc1ccoc1C 388823482 538437795 /nfs/dbraw/zinc/43/77/95/538437795.db2.gz LFBGILCZFZBUIO-CMPLNLGQSA-N 0 3 193.290 2.866 20 0 AFADHN CN(Cc1cccs1)CC1(C)CC1 388775211 538437144 /nfs/dbraw/zinc/43/71/44/538437144.db2.gz HTXJWYXDBYCSFD-UHFFFAOYSA-N 0 3 195.331 2.980 20 0 AFADHN CC[C@H]1CC[C@@H]1NCc1ccoc1C 388823488 538437812 /nfs/dbraw/zinc/43/78/12/538437812.db2.gz LFBGILCZFZBUIO-JQWIXIFHSA-N 0 3 193.290 2.866 20 0 AFADHN CCN(Cc1cncs1)CC(C)C 388782110 538437239 /nfs/dbraw/zinc/43/72/39/538437239.db2.gz JTSUDEYKYRUKQP-UHFFFAOYSA-N 0 3 198.335 2.621 20 0 AFADHN CC[C@@H]1CC[C@@H]1NCc1ccoc1C 388823490 538437653 /nfs/dbraw/zinc/43/76/53/538437653.db2.gz LFBGILCZFZBUIO-PWSUYJOCSA-N 0 3 193.290 2.866 20 0 AFADHN CC[C@@H]1CC[C@H]1NCc1ccoc1C 388823494 538437960 /nfs/dbraw/zinc/43/79/60/538437960.db2.gz LFBGILCZFZBUIO-ZYHUDNBSSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccoc1CNC1(C2CC2)CC1 388818217 538437948 /nfs/dbraw/zinc/43/79/48/538437948.db2.gz HZZSVVLNZSDXFN-UHFFFAOYSA-N 0 3 191.274 2.620 20 0 AFADHN CN(Cc1ccco1)CC(C)(C)C 144116291 541307609 /nfs/dbraw/zinc/30/76/09/541307609.db2.gz PJXYZUUVSFFAGA-UHFFFAOYSA-N 0 3 181.279 2.758 20 0 AFADHN CCN(C)Cc1cccc(Cl)c1 200990526 541314446 /nfs/dbraw/zinc/31/44/46/541314446.db2.gz YQUTVYGFRGRXBD-UHFFFAOYSA-N 0 3 183.682 2.792 20 0 AFADHN CC1CCN(Cc2ccsc2)CC1 201077034 541314392 /nfs/dbraw/zinc/31/43/92/541314392.db2.gz KVRGGEJOZQYQEZ-UHFFFAOYSA-N 0 3 195.331 2.980 20 0 AFADHN CCC(CC)CN1CCOC(C)(C)C1 204728907 541315940 /nfs/dbraw/zinc/31/59/40/541315940.db2.gz HWUMCYIZSDQUEE-UHFFFAOYSA-N 0 3 199.338 2.533 20 0 AFADHN F[C@H]1CN[C@@H](c2cccc(Cl)c2)C1 219910928 541317723 /nfs/dbraw/zinc/31/77/23/541317723.db2.gz YMBZKSJRKDGNID-NXEZZACHSA-N 0 3 199.656 2.713 20 0 AFADHN F[C@H]1CN[C@H](c2ccc(Cl)cc2)C1 219910739 541317758 /nfs/dbraw/zinc/31/77/58/541317758.db2.gz CIQZPQZNPNNFSQ-ZJUUUORDSA-N 0 3 199.656 2.713 20 0 AFADHN F[C@H]1CN[C@@H](c2ccc(Cl)cc2)C1 219910769 541317906 /nfs/dbraw/zinc/31/79/06/541317906.db2.gz CIQZPQZNPNNFSQ-NXEZZACHSA-N 0 3 199.656 2.713 20 0 AFADHN F[C@@H]1CN[C@@H](c2cccc(Cl)c2)C1 219910858 541317922 /nfs/dbraw/zinc/31/79/22/541317922.db2.gz YMBZKSJRKDGNID-VHSXEESVSA-N 0 3 199.656 2.713 20 0 AFADHN F[C@@H]1CN[C@@H](c2ccc(Cl)cc2)C1 219910706 541318052 /nfs/dbraw/zinc/31/80/52/541318052.db2.gz CIQZPQZNPNNFSQ-VHSXEESVSA-N 0 3 199.656 2.713 20 0 AFADHN F[C@@H]1CN[C@H](c2ccc(Cl)cc2)C1 219910667 541318079 /nfs/dbraw/zinc/31/80/79/541318079.db2.gz CIQZPQZNPNNFSQ-UWVGGRQHSA-N 0 3 199.656 2.713 20 0 AFADHN F[C@@H]1CN[C@H](c2cccc(Cl)c2)C1 219910827 541318155 /nfs/dbraw/zinc/31/81/55/541318155.db2.gz YMBZKSJRKDGNID-UWVGGRQHSA-N 0 3 199.656 2.713 20 0 AFADHN F[C@H]1CN[C@H](c2cccc(Cl)c2)C1 219910891 541318418 /nfs/dbraw/zinc/31/84/18/541318418.db2.gz YMBZKSJRKDGNID-ZJUUUORDSA-N 0 3 199.656 2.713 20 0 AFADHN CCCNCc1csc(C(C)C)n1 40447580 756963235 /nfs/dbraw/zinc/96/32/35/756963235.db2.gz CSZUHRLCQAPGLD-UHFFFAOYSA-N 0 3 198.335 2.766 20 0 AFADHN Cc1ccc(CN2CC3(CC3)C2)cc1 334742986 757118895 /nfs/dbraw/zinc/11/88/95/757118895.db2.gz PFEMRMPEYVFMDP-UHFFFAOYSA-N 0 3 187.286 2.591 20 0 AFADHN Cc1cccc(CN2CC3(CC3)C2)c1 334743406 757119884 /nfs/dbraw/zinc/11/98/84/757119884.db2.gz UEMYKMMWXQJVIO-UHFFFAOYSA-N 0 3 187.286 2.591 20 0 AFADHN Cc1ccc(CN2CC3(CC3)C2)s1 334742518 757119989 /nfs/dbraw/zinc/11/99/89/757119989.db2.gz JQMMKVQYGQZIDO-UHFFFAOYSA-N 0 3 193.315 2.652 20 0 AFADHN Fc1ccccc1CN[C@@H]1C=CCC1 698298374 757455714 /nfs/dbraw/zinc/45/57/14/757455714.db2.gz GIGANUGPERITIP-LLVKDONJSA-N 0 3 191.249 2.634 20 0 AFADHN C[C@@H](N[C@H]1C=CCC1)c1cncs1 698284756 757453685 /nfs/dbraw/zinc/45/36/85/757453685.db2.gz PYTKCEQCFXGCKL-BDAKNGLRSA-N 0 3 194.303 2.512 20 0 AFADHN C[C@@H](N[C@H]1C=CCC1)c1ccco1 698278277 757453894 /nfs/dbraw/zinc/45/38/94/757453894.db2.gz OECDVBBMSJZTJH-ZJUUUORDSA-N 0 3 177.247 2.649 20 0 AFADHN C[C@@H](N[C@@H]1C=CCC1)c1ccoc1 698278921 757454424 /nfs/dbraw/zinc/45/44/24/757454424.db2.gz SUESKNKXOVXERQ-MWLCHTKSSA-N 0 3 177.247 2.649 20 0 AFADHN C[C@@H](N[C@H]1C=CCC1)c1ccoc1 698278919 757454673 /nfs/dbraw/zinc/45/46/73/757454673.db2.gz SUESKNKXOVXERQ-KOLCDFICSA-N 0 3 177.247 2.649 20 0 AFADHN C[C@@H](N[C@@H]1C=CCC1)c1ccco1 698278274 757455365 /nfs/dbraw/zinc/45/53/65/757455365.db2.gz OECDVBBMSJZTJH-NXEZZACHSA-N 0 3 177.247 2.649 20 0 AFADHN C[C@H](N[C@@H]1C=CCC1)c1ccoc1 698278917 757455333 /nfs/dbraw/zinc/45/53/33/757455333.db2.gz SUESKNKXOVXERQ-GXSJLCMTSA-N 0 3 177.247 2.649 20 0 AFADHN Cc1ccc([C@H](C)N[C@H]2C=CCC2)o1 698298643 757455628 /nfs/dbraw/zinc/45/56/28/757455628.db2.gz IYNQJRZGFRHLKH-QWRGUYRKSA-N 0 3 191.274 2.957 20 0 AFADHN C[C@H](N[C@H]1C=CCC1)c1ccoc1 698278922 757455648 /nfs/dbraw/zinc/45/56/48/757455648.db2.gz SUESKNKXOVXERQ-ONGXEEELSA-N 0 3 177.247 2.649 20 0 AFADHN C[C@H](N[C@H]1C=CCC1)c1cncs1 698284758 757456210 /nfs/dbraw/zinc/45/62/10/757456210.db2.gz PYTKCEQCFXGCKL-IUCAKERBSA-N 0 3 194.303 2.512 20 0 AFADHN Cc1ccc([C@@H](C)N[C@H]2C=CCC2)o1 698298641 757456634 /nfs/dbraw/zinc/45/66/34/757456634.db2.gz IYNQJRZGFRHLKH-MNOVXSKESA-N 0 3 191.274 2.957 20 0 AFADHN Fc1ccccc1CN[C@H]1C=CCC1 698298376 757456707 /nfs/dbraw/zinc/45/67/07/757456707.db2.gz GIGANUGPERITIP-NSHDSACASA-N 0 3 191.249 2.634 20 0 AFADHN C[C@H](N[C@@H]1C=CCC1)c1ccco1 698278276 757456848 /nfs/dbraw/zinc/45/68/48/757456848.db2.gz OECDVBBMSJZTJH-VHSXEESVSA-N 0 3 177.247 2.649 20 0 AFADHN Cc1ccc([C@H](C)N[C@@H]2C=CCC2)o1 698298646 757456913 /nfs/dbraw/zinc/45/69/13/757456913.db2.gz IYNQJRZGFRHLKH-WDEREUQCSA-N 0 3 191.274 2.957 20 0 AFADHN C[C@H](N[C@@H]1C=CCC1)c1cncs1 698284757 757456941 /nfs/dbraw/zinc/45/69/41/757456941.db2.gz PYTKCEQCFXGCKL-DTWKUNHWSA-N 0 3 194.303 2.512 20 0 AFADHN C[C@@H](N[C@@H]1C=CCC1)c1cncs1 698284759 757457343 /nfs/dbraw/zinc/45/73/43/757457343.db2.gz PYTKCEQCFXGCKL-RKDXNWHRSA-N 0 3 194.303 2.512 20 0 AFADHN C[C@H](N[C@H]1C=CCC1)c1ccco1 698278275 757458227 /nfs/dbraw/zinc/45/82/27/757458227.db2.gz OECDVBBMSJZTJH-UWVGGRQHSA-N 0 3 177.247 2.649 20 0 AFADHN Cc1ccc([C@@H](C)N[C@@H]2C=CCC2)o1 698298638 757458269 /nfs/dbraw/zinc/45/82/69/757458269.db2.gz IYNQJRZGFRHLKH-GHMZBOCLSA-N 0 3 191.274 2.957 20 0 AFADHN CSc1ccc(CNC2(C)CC2)o1 1119289818 757743105 /nfs/dbraw/zinc/74/31/05/757743105.db2.gz TVFVFYVNJXVNEH-UHFFFAOYSA-N 0 3 197.303 2.644 20 0 AFADHN c1coc(CN[C@H]2CC[C@H]2C2CC2)c1 308490231 573072028 /nfs/dbraw/zinc/07/20/28/573072028.db2.gz BKAAZDICVKNDLQ-RYUDHWBXSA-N 0 3 191.274 2.558 20 0 AFADHN CCCNC1(c2ccccc2F)CC1 308520985 573240877 /nfs/dbraw/zinc/24/08/77/573240877.db2.gz OTDFSTAQNZPNDO-UHFFFAOYSA-N 0 3 193.265 2.814 20 0 AFADHN CC(C)c1nc2c(s1)CCC[C@@H]2N 83125046 573418839 /nfs/dbraw/zinc/41/88/39/573418839.db2.gz LBWLVRYHQJSHMG-ZETCQYMHSA-N 0 3 196.319 2.603 20 0 AFADHN CC(C)c1nc2c(s1)CCC[C@H]2N 83125048 573419024 /nfs/dbraw/zinc/41/90/24/573419024.db2.gz LBWLVRYHQJSHMG-SSDOTTSWSA-N 0 3 196.319 2.603 20 0 AFADHN CC(C)(N)[C@H](F)c1ccccc1F 107255647 573443467 /nfs/dbraw/zinc/44/34/67/573443467.db2.gz AHASLMYDUXYDGZ-SECBINFHSA-N 0 3 185.217 2.574 20 0 AFADHN CCCc1ccc2c(c1)C(=O)C(C)O2 107252943 573445835 /nfs/dbraw/zinc/44/58/35/573445835.db2.gz AHBYIZOQVKALIA-QMMMGPOBSA-N 0 3 190.242 2.603 20 0 AFADHN CC[C@@H](C)[C@@H](C)N(CCF)C1CC1 308317452 573222872 /nfs/dbraw/zinc/22/28/72/573222872.db2.gz WMKJMEIRSDDRBS-NXEZZACHSA-N 0 3 187.302 2.855 20 0 AFADHN Cc1ccoc1CNCCC1CCC1 130339185 573544891 /nfs/dbraw/zinc/54/48/91/573544891.db2.gz PIPZWBBUZPFFOG-UHFFFAOYSA-N 0 3 193.290 2.868 20 0 AFADHN CC(C)(C)C1CCC(F)(CN)CC1 108299673 573745570 /nfs/dbraw/zinc/74/55/70/573745570.db2.gz WOMCYLWQVMWZFN-UHFFFAOYSA-N 0 3 187.302 2.890 20 0 AFADHN Cc1cc(CNC(C)(C)C(C)C)no1 393668677 573776704 /nfs/dbraw/zinc/77/67/04/573776704.db2.gz GVDQOGDKFMLDMH-UHFFFAOYSA-N 0 3 196.294 2.507 20 0 AFADHN CCCNCc1cnc(C(C)C)s1 40996671 573792657 /nfs/dbraw/zinc/79/26/57/573792657.db2.gz AQJLEMIZBZTWMR-UHFFFAOYSA-N 0 3 198.335 2.766 20 0 AFADHN C[C@@H]1CN(C/C=C\Cl)CC[C@H]1C 388480665 573818933 /nfs/dbraw/zinc/81/89/33/573818933.db2.gz UNXFNZWHSUEPMB-QBNQYXCASA-N 0 3 187.714 2.717 20 0 AFADHN CCCCN(CC)Cc1cnoc1C 585365167 573936805 /nfs/dbraw/zinc/93/68/05/573936805.db2.gz NATPDHWUGRYFLN-UHFFFAOYSA-N 0 3 196.294 2.605 20 0 AFADHN CCCN(CCC)Cc1cnoc1C 585365070 573946941 /nfs/dbraw/zinc/94/69/41/573946941.db2.gz AJEMGAFIWMLJEF-UHFFFAOYSA-N 0 3 196.294 2.605 20 0 AFADHN CC[C@@H](C)[C@H](C)NCc1cscn1 42554447 573978534 /nfs/dbraw/zinc/97/85/34/573978534.db2.gz QMLNMZNMUGJAQF-BDAKNGLRSA-N 0 3 198.335 2.667 20 0 AFADHN CC[C@@H](C)CN1CCC=C(Cl)C1 1195686008 761700060 /nfs/dbraw/zinc/70/00/60/761700060.db2.gz CPDLFXXOLGXYTM-SECBINFHSA-N 0 3 187.714 2.861 20 0 AFADHN CC[C@H](C)CN1CCC=C(Cl)C1 1195686010 761702378 /nfs/dbraw/zinc/70/23/78/761702378.db2.gz CPDLFXXOLGXYTM-VIFPVBQESA-N 0 3 187.714 2.861 20 0 AFADHN CCC(CC)CN1CC(OC(C)C)C1 1201535810 761774519 /nfs/dbraw/zinc/77/45/19/761774519.db2.gz OXURTSHAPXVZMQ-UHFFFAOYSA-N 0 3 199.338 2.532 20 0 AFADHN CC(C)OC1CN(CCC(C)(C)C)C1 1202096734 761816146 /nfs/dbraw/zinc/81/61/46/761816146.db2.gz PAZJNTYAYGQXBX-UHFFFAOYSA-N 0 3 199.338 2.532 20 0 AFADHN CCC[C@@H](C)NCc1nc(C)cs1 38090593 1169080661 /nfs/dbraw/zinc/08/06/61/1169080661.db2.gz UGJNVOUBVYWCHN-MRVPVSSYSA-N 0 3 198.335 2.730 20 0 AFADHN CC(C)CCN(C)C/C=C\Cl 307889065 673942781 /nfs/dbraw/zinc/94/27/81/673942781.db2.gz XPYYECVDQMBVGB-XQRVVYSFSA-N 0 3 175.703 2.717 20 0 AFADHN CC1(NCc2ccc(F)cc2F)CC1 124442337 1169170496 /nfs/dbraw/zinc/17/04/96/1169170496.db2.gz ZOLWSNXBGJOLEC-UHFFFAOYSA-N 0 3 197.228 2.607 20 0 AFADHN CC1(NCc2cccc(F)c2F)CC1 124451307 1169170608 /nfs/dbraw/zinc/17/06/08/1169170608.db2.gz YGPMTJWSXSNRDG-UHFFFAOYSA-N 0 3 197.228 2.607 20 0 AFADHN CC1(NCc2ccccc2Cl)CC1 124428565 1169170940 /nfs/dbraw/zinc/17/09/40/1169170940.db2.gz FWYUHKCPAWGFHT-UHFFFAOYSA-N 0 3 195.693 2.982 20 0 AFADHN CC1(NCc2ccc(Cl)o2)CC1 124460791 1169171322 /nfs/dbraw/zinc/17/13/22/1169171322.db2.gz RVBRPZVEVYQJJL-UHFFFAOYSA-N 0 3 185.654 2.575 20 0 AFADHN CCCCCCNCc1ocnc1C 894145696 673953762 /nfs/dbraw/zinc/95/37/62/673953762.db2.gz HMFRIAHKPMUTMC-UHFFFAOYSA-N 0 3 196.294 2.653 20 0 AFADHN CC(C)CNCc1cc(C(C)C)no1 127646235 1169175688 /nfs/dbraw/zinc/17/56/88/1169175688.db2.gz LILAMUYWNBIRHU-UHFFFAOYSA-N 0 3 196.294 2.544 20 0 AFADHN COc1ccnc(NCC(C)(C)C)c1 126907307 1169176036 /nfs/dbraw/zinc/17/60/36/1169176036.db2.gz VCFJGOBSZJBHSM-UHFFFAOYSA-N 0 3 194.278 2.548 20 0 AFADHN Cc1ccsc1CN1CC2(CC2)C1 334742896 673955526 /nfs/dbraw/zinc/95/55/26/673955526.db2.gz NXBPKOUZTLHKSK-UHFFFAOYSA-N 0 3 193.315 2.652 20 0 AFADHN CCc1nc(CNC(CC)CC)co1 825058461 674031263 /nfs/dbraw/zinc/03/12/63/674031263.db2.gz ZDMODNWGNHXTRL-UHFFFAOYSA-N 0 3 196.294 2.515 20 0 AFADHN CCC[C@H](C)NCc1nc(C)cs1 38090594 674064025 /nfs/dbraw/zinc/06/40/25/674064025.db2.gz UGJNVOUBVYWCHN-QMMMGPOBSA-N 0 3 198.335 2.730 20 0 AFADHN Cc1csc(CNCCC(C)C)n1 37988509 674064408 /nfs/dbraw/zinc/06/44/08/674064408.db2.gz JDCIEFXJOTZRCA-UHFFFAOYSA-N 0 3 198.335 2.587 20 0 AFADHN CC(C)C1(C)CCN(CCF)CC1 306511772 674073923 /nfs/dbraw/zinc/07/39/23/674073923.db2.gz NZAXODZJKLIYAQ-UHFFFAOYSA-N 0 3 187.302 2.714 20 0 AFADHN CCC(C)(C)CNCc1nccs1 230644719 1169397542 /nfs/dbraw/zinc/39/75/42/1169397542.db2.gz IMYNPWSTUHTMDP-UHFFFAOYSA-N 0 3 198.335 2.669 20 0 AFADHN CC[C@@H](C)[C@H](C)N1CCC=C(F)C1 307534168 1169526531 /nfs/dbraw/zinc/52/65/31/1169526531.db2.gz BGVAHVRCHGTZCG-ZJUUUORDSA-N 0 3 185.286 2.980 20 0 AFADHN CC[C@H](C)[C@@H](C)N1CCC=C(F)C1 307534157 1169526582 /nfs/dbraw/zinc/52/65/82/1169526582.db2.gz BGVAHVRCHGTZCG-VHSXEESVSA-N 0 3 185.286 2.980 20 0 AFADHN CC[C@H](C)[C@H](C)N1CCC=C(F)C1 307534147 1169526629 /nfs/dbraw/zinc/52/66/29/1169526629.db2.gz BGVAHVRCHGTZCG-UWVGGRQHSA-N 0 3 185.286 2.980 20 0 AFADHN CC[C@@H](C)[C@@H](C)N1CCC=C(F)C1 307534138 1169526689 /nfs/dbraw/zinc/52/66/89/1169526689.db2.gz BGVAHVRCHGTZCG-NXEZZACHSA-N 0 3 185.286 2.980 20 0 AFADHN Cc1occc1CNC/C=C\C1CC1 321066041 1169554545 /nfs/dbraw/zinc/55/45/45/1169554545.db2.gz MWSAMYVYRFQVSZ-IHWYPQMZSA-N 0 3 191.274 2.644 20 0 AFADHN Cc1occc1CNC/C=C/C1CC1 321066042 1169556765 /nfs/dbraw/zinc/55/67/65/1169556765.db2.gz MWSAMYVYRFQVSZ-NSCUHMNNSA-N 0 3 191.274 2.644 20 0 AFADHN CC(C)(CF)NCc1cccs1 379322209 1169569854 /nfs/dbraw/zinc/56/98/54/1169569854.db2.gz HOCOKTWMYYISIL-UHFFFAOYSA-N 0 3 187.283 2.586 20 0 AFADHN Cc1ccccc1CNC(C)(C)CF 379647857 1169593378 /nfs/dbraw/zinc/59/33/78/1169593378.db2.gz BBWDUZXDDVEQQB-UHFFFAOYSA-N 0 3 195.281 2.833 20 0 AFADHN C(=C\C1CC1)\CNCc1ccsc1 393941721 1169645465 /nfs/dbraw/zinc/64/54/65/1169645465.db2.gz JOUZERHGFDZRGL-UPHRSURJSA-N 0 3 193.315 2.804 20 0 AFADHN C(=C/C1CC1)\CNCc1ccsc1 393941720 1169646475 /nfs/dbraw/zinc/64/64/75/1169646475.db2.gz JOUZERHGFDZRGL-OWOJBTEDSA-N 0 3 193.315 2.804 20 0 AFADHN C1=CCN(C/C=C\c2ccccc2)CC1 143726364 566266135 /nfs/dbraw/zinc/26/61/35/566266135.db2.gz SXZJBTBALLKCPE-YFHOEESVSA-N 0 3 199.297 2.962 20 0 AFADHN C1=CCN(C/C=C/c2ccccc2)CC1 143726564 566266572 /nfs/dbraw/zinc/26/65/72/566266572.db2.gz SXZJBTBALLKCPE-JXMROGBWSA-N 0 3 199.297 2.962 20 0 AFADHN CCN(Cc1cncs1)C(C)(C)C 1261637391 1170117205 /nfs/dbraw/zinc/11/72/05/1170117205.db2.gz RCMMUACMYOMCRY-UHFFFAOYSA-N 0 3 198.335 2.764 20 0 AFADHN Cc1ccc([C@H](C)NC2(C)CC2)o1 1319862786 1170205794 /nfs/dbraw/zinc/20/57/94/1170205794.db2.gz FCOJEXXBDHUSLC-VIFPVBQESA-N 0 3 179.263 2.791 20 0 AFADHN Cc1ccc([C@@H](C)NC2(C)CC2)o1 1319862785 1170206226 /nfs/dbraw/zinc/20/62/26/1170206226.db2.gz FCOJEXXBDHUSLC-SECBINFHSA-N 0 3 179.263 2.791 20 0 AFADHN CC1(C)CN(Cc2ccco2)C1(C)C 1337033237 1170385929 /nfs/dbraw/zinc/38/59/29/1170385929.db2.gz RRHHGPKMSMCCSM-UHFFFAOYSA-N 0 3 193.290 2.900 20 0 AFADHN CCN(Cc1cc(C)no1)C(C)(C)C 1347813791 1170497879 /nfs/dbraw/zinc/49/78/79/1170497879.db2.gz SNCXPGVWADODRP-UHFFFAOYSA-N 0 3 196.294 2.603 20 0 AFADHN CC[C@@H]1C[C@H]1CN1CCC=C(Cl)C1 1643647269 1170873387 /nfs/dbraw/zinc/87/33/87/1170873387.db2.gz IVGSYGGYHJWBIR-ZJUUUORDSA-N 0 3 199.725 2.861 20 0 AFADHN CC(C)CCN1CCC=C(Cl)C1 1659235290 1170940274 /nfs/dbraw/zinc/94/02/74/1170940274.db2.gz NNNVXAZUDIQKBL-UHFFFAOYSA-N 0 3 187.714 2.861 20 0 AFADHN CC1CC(CN2CCC=C(Cl)C2)C1 1659235287 1170940463 /nfs/dbraw/zinc/94/04/63/1170940463.db2.gz NJNVGZUPPKJHRM-UHFFFAOYSA-N 0 3 199.725 2.861 20 0 AFADHN CCCCNCc1ccc(Cl)cn1 70624940 571700386 /nfs/dbraw/zinc/70/03/86/571700386.db2.gz AJDPTNAORHGQNX-UHFFFAOYSA-N 0 3 198.697 2.625 20 0 AFADHN CCC[C@H](C)NCc1ncccc1C 70907443 571739456 /nfs/dbraw/zinc/73/94/56/571739456.db2.gz PCJHRSBSSLMNBQ-NSHDSACASA-N 0 3 192.306 2.668 20 0 AFADHN Cc1cccnc1CNCCC(C)C 70907818 571740107 /nfs/dbraw/zinc/74/01/07/571740107.db2.gz QWDFPYJKZXNOMP-UHFFFAOYSA-N 0 3 192.306 2.526 20 0 AFADHN CCCCCNCc1ncccc1C 70908092 571740578 /nfs/dbraw/zinc/74/05/78/571740578.db2.gz OMYXMVGFRUNXAC-UHFFFAOYSA-N 0 3 192.306 2.670 20 0 AFADHN CCC[C@@H](C)NCc1ncccc1C 70907439 571740581 /nfs/dbraw/zinc/74/05/81/571740581.db2.gz PCJHRSBSSLMNBQ-LLVKDONJSA-N 0 3 192.306 2.668 20 0 AFADHN CCCCCNCc1nc(C)cs1 38090868 571829307 /nfs/dbraw/zinc/82/93/07/571829307.db2.gz ORNPJQGBJZBBDD-UHFFFAOYSA-N 0 3 198.335 2.731 20 0 AFADHN Cl/C=C/CNCc1ccccc1 38325052 571844173 /nfs/dbraw/zinc/84/41/73/571844173.db2.gz LBIPIFQGIIRCQG-QPJJXVBHSA-N 0 3 181.666 2.529 20 0 AFADHN CC1(C)CCCN(C/C=C\Cl)C1 379310905 571850586 /nfs/dbraw/zinc/85/05/86/571850586.db2.gz CUWHXWGYDPRLBY-XQRVVYSFSA-N 0 3 187.714 2.861 20 0 AFADHN C[C@@H]1C[C@@H](C)CN(C/C=C\Cl)C1 379311294 571851629 /nfs/dbraw/zinc/85/16/29/571851629.db2.gz JOROTUIQTDNHBJ-HWKXXFMVSA-N 0 3 187.714 2.717 20 0 AFADHN Cc1ccccc1CNC/C=C/Cl 235766068 571853719 /nfs/dbraw/zinc/85/37/19/571853719.db2.gz GKCRHUMKZKRWHY-QPJJXVBHSA-N 0 3 195.693 2.837 20 0 AFADHN C[C@H]1CCCCN(C/C=C\Cl)C1 379313097 571854438 /nfs/dbraw/zinc/85/44/38/571854438.db2.gz FABJOGIFNIHCPN-OAQKJQOQSA-N 0 3 187.714 2.861 20 0 AFADHN C[C@@H]1CCCCN(C/C=C\Cl)C1 379313096 571855459 /nfs/dbraw/zinc/85/54/59/571855459.db2.gz FABJOGIFNIHCPN-AYYIZTPMSA-N 0 3 187.714 2.861 20 0 AFADHN Cc1ccc(CNC/C=C/Cl)cc1 235779962 571937613 /nfs/dbraw/zinc/93/76/13/571937613.db2.gz NKHWXBHHICYEPG-FARCUNLSSA-N 0 3 195.693 2.837 20 0 AFADHN Cc1cccc(CNC/C=C/Cl)c1 235780959 571940530 /nfs/dbraw/zinc/94/05/30/571940530.db2.gz FPBYCQXBZGJQQH-ZZXKWVIFSA-N 0 3 195.693 2.837 20 0 AFADHN CC[C@@H](C)[C@@H](C)NCc1cscn1 42554441 572034781 /nfs/dbraw/zinc/03/47/81/572034781.db2.gz QMLNMZNMUGJAQF-RKDXNWHRSA-N 0 3 198.335 2.667 20 0 AFADHN CCC(C)(C)NCc1nc(C)cs1 82725440 572084915 /nfs/dbraw/zinc/08/49/15/572084915.db2.gz ZUXKPGAUPVUIIE-UHFFFAOYSA-N 0 3 198.335 2.730 20 0 AFADHN CCN[C@H](CC(C)C)c1ccccn1 37467502 572133146 /nfs/dbraw/zinc/13/31/46/572133146.db2.gz MBBXEQWUNXOOPZ-GFCCVEGCSA-N 0 3 192.306 2.778 20 0 AFADHN CCN[C@@H](CC(C)C)c1ccccn1 37467500 572134377 /nfs/dbraw/zinc/13/43/77/572134377.db2.gz MBBXEQWUNXOOPZ-LBPRGKRZSA-N 0 3 192.306 2.778 20 0 AFADHN Cc1ccsc1CN1CC=CCC1 238915887 572154282 /nfs/dbraw/zinc/15/42/82/572154282.db2.gz SNJQNBYOAKFPSU-UHFFFAOYSA-N 0 3 193.315 2.818 20 0 AFADHN C1=CCN(Cc2ccsc2)CC1 238864135 572159917 /nfs/dbraw/zinc/15/99/17/572159917.db2.gz LJGVALXLZJYYLR-UHFFFAOYSA-N 0 3 179.288 2.510 20 0 AFADHN CC(C)c1ccc2c(c1)[C@H](N)[C@@H](C)O2 43641841 572204621 /nfs/dbraw/zinc/20/46/21/572204621.db2.gz IWIDMIHQHQZOTL-PRHODGIISA-N 0 3 191.274 2.591 20 0 AFADHN CC(C)c1ccc2c(c1)[C@H](N)[C@H](C)O2 43641842 572204964 /nfs/dbraw/zinc/20/49/64/572204964.db2.gz IWIDMIHQHQZOTL-QPUJVOFHSA-N 0 3 191.274 2.591 20 0 AFADHN CC(C)c1ccc2c(c1)[C@@H](N)[C@@H](C)O2 43641839 572204998 /nfs/dbraw/zinc/20/49/98/572204998.db2.gz IWIDMIHQHQZOTL-PELKAZGASA-N 0 3 191.274 2.591 20 0 AFADHN CC(C)c1ccc2c(c1)[C@@H](N)[C@H](C)O2 43641840 572205642 /nfs/dbraw/zinc/20/56/42/572205642.db2.gz IWIDMIHQHQZOTL-UFBFGSQYSA-N 0 3 191.274 2.591 20 0 AFADHN CCCN(C/C=C\Cl)C1CC1 307864732 572666658 /nfs/dbraw/zinc/66/66/58/572666658.db2.gz IROLGZDCQZTAHV-UTCJRWHESA-N 0 3 173.687 2.613 20 0 AFADHN CCCN(C/C=C/Cl)C1CC1 307864733 572666993 /nfs/dbraw/zinc/66/69/93/572666993.db2.gz IROLGZDCQZTAHV-ZZXKWVIFSA-N 0 3 173.687 2.613 20 0 AFADHN CCC(C)(C)N(C)C/C=C\Cl 307867877 572681048 /nfs/dbraw/zinc/68/10/48/572681048.db2.gz KDJMZRQIRBJUOS-SREVYHEPSA-N 0 3 175.703 2.859 20 0 AFADHN CC(C)(C)NCc1ccc(Cl)cn1 70624938 572712626 /nfs/dbraw/zinc/71/26/26/572712626.db2.gz SJXMSEHFPFWKNC-UHFFFAOYSA-N 0 3 198.697 2.623 20 0 AFADHN Cc1ccc(CNC/C=C\Cl)cc1 308104895 572724850 /nfs/dbraw/zinc/72/48/50/572724850.db2.gz NKHWXBHHICYEPG-UQCOIBPSSA-N 0 3 195.693 2.837 20 0 AFADHN Cc1cccc(CNC/C=C\Cl)c1 308101001 572729867 /nfs/dbraw/zinc/72/98/67/572729867.db2.gz FPBYCQXBZGJQQH-UTCJRWHESA-N 0 3 195.693 2.837 20 0 AFADHN CC(C)CCN(C)C/C=C/Cl 307889064 572736699 /nfs/dbraw/zinc/73/66/99/572736699.db2.gz XPYYECVDQMBVGB-GQCTYLIASA-N 0 3 175.703 2.717 20 0 AFADHN CCCCN(CC)C/C=C/Cl 307902160 572746094 /nfs/dbraw/zinc/74/60/94/572746094.db2.gz OITJWPAIVSNZMJ-VOTSOKGWSA-N 0 3 175.703 2.861 20 0 AFADHN CCCN(C)Cc1cccc(Cl)n1 85696851 572768992 /nfs/dbraw/zinc/76/89/92/572768992.db2.gz KUECDHTWKJOSFM-UHFFFAOYSA-N 0 3 198.697 2.577 20 0 AFADHN CN(C/C=C\Cl)C1CCCC1 307919872 572769018 /nfs/dbraw/zinc/76/90/18/572769018.db2.gz HPSHLFXLQOHLEV-DAXSKMNVSA-N 0 3 173.687 2.613 20 0 AFADHN CCN(CC)Cc1cccc(Cl)n1 85696716 572770319 /nfs/dbraw/zinc/77/03/19/572770319.db2.gz PCKROPBKWLREAA-UHFFFAOYSA-N 0 3 198.697 2.577 20 0 AFADHN CCCN(C/C=C/Cl)CCC 307923799 572771753 /nfs/dbraw/zinc/77/17/53/572771753.db2.gz OGWCFTOSIRLOSG-AATRIKPKSA-N 0 3 175.703 2.861 20 0 AFADHN CCC[C@@H](C)N(C)C/C=C/Cl 307924286 572772432 /nfs/dbraw/zinc/77/24/32/572772432.db2.gz OQIFHKLICGRSQG-VPIOIWJLSA-N 0 3 175.703 2.859 20 0 AFADHN CCC[C@H](C)N(C)C/C=C\Cl 307924281 572773069 /nfs/dbraw/zinc/77/30/69/572773069.db2.gz OQIFHKLICGRSQG-PGBBXKAQSA-N 0 3 175.703 2.859 20 0 AFADHN CCC[C@H](C)N(C)C/C=C/Cl 307924276 572773174 /nfs/dbraw/zinc/77/31/74/572773174.db2.gz OQIFHKLICGRSQG-IWGCBNPKSA-N 0 3 175.703 2.859 20 0 AFADHN CC(C)CN(C/C=C/Cl)C1CC1 307928886 572779509 /nfs/dbraw/zinc/77/95/09/572779509.db2.gz AUCOZFMBBHZPDK-ZZXKWVIFSA-N 0 3 187.714 2.859 20 0 AFADHN CC(C)CN(C/C=C\Cl)C1CC1 307928884 572780308 /nfs/dbraw/zinc/78/03/08/572780308.db2.gz AUCOZFMBBHZPDK-UTCJRWHESA-N 0 3 187.714 2.859 20 0 AFADHN CCCC(CCC)NCc1ccon1 86690551 572970862 /nfs/dbraw/zinc/97/08/62/572970862.db2.gz XTLYMINXQJXTAJ-UHFFFAOYSA-N 0 3 196.294 2.733 20 0 AFADHN CCC1(CC)CCN(CCF)CC1 308225440 573019891 /nfs/dbraw/zinc/01/98/91/573019891.db2.gz MTCXQVZTBOHLMH-UHFFFAOYSA-N 0 3 187.302 2.858 20 0 AFADHN CCCN(C)Cc1cc(C)oc1C 308225493 573021752 /nfs/dbraw/zinc/02/17/52/573021752.db2.gz MVESEASYPBBYLO-UHFFFAOYSA-N 0 3 181.279 2.738 20 0 AFADHN CCN(CC)Cc1cc(C)oc1C 308232615 573035493 /nfs/dbraw/zinc/03/54/93/573035493.db2.gz PNTYMJZLFDECAR-UHFFFAOYSA-N 0 3 181.279 2.738 20 0 AFADHN CCC[C@]1(C)CCCN(CCF)C1 308248608 573051168 /nfs/dbraw/zinc/05/11/68/573051168.db2.gz ZSFPGFBEGMNFTH-LLVKDONJSA-N 0 3 187.302 2.858 20 0 AFADHN CCC[C@@]1(C)CCCN(CCF)C1 308248609 573052089 /nfs/dbraw/zinc/05/20/89/573052089.db2.gz ZSFPGFBEGMNFTH-NSHDSACASA-N 0 3 187.302 2.858 20 0 AFADHN c1coc(CN[C@@H]2CC[C@H]2C2CC2)c1 308490229 573071429 /nfs/dbraw/zinc/07/14/29/573071429.db2.gz BKAAZDICVKNDLQ-NWDGAFQWSA-N 0 3 191.274 2.558 20 0 AFADHN c1coc(CN[C@H]2CC[C@@H]2C2CC2)c1 308490226 573075427 /nfs/dbraw/zinc/07/54/27/573075427.db2.gz BKAAZDICVKNDLQ-NEPJUHHUSA-N 0 3 191.274 2.558 20 0 AFADHN c1coc(CN[C@@H]2CC[C@@H]2C2CC2)c1 308490234 573075619 /nfs/dbraw/zinc/07/56/19/573075619.db2.gz BKAAZDICVKNDLQ-VXGBXAGGSA-N 0 3 191.274 2.558 20 0 AFADHN C[C@H](C1CCCCC1)N(C)CCF 308283948 573157859 /nfs/dbraw/zinc/15/78/59/573157859.db2.gz YAQYTYJLTWEJHZ-SNVBAGLBSA-N 0 3 187.302 2.857 20 0 AFADHN CC[C@H]1Oc2ccc(Cl)cc2[C@H]1N 82759631 573175458 /nfs/dbraw/zinc/17/54/58/573175458.db2.gz KWGUNWXZPKPCKG-PSASIEDQSA-N 0 3 197.665 2.511 20 0 AFADHN CC[C@@H]1Oc2ccc(Cl)cc2[C@@H]1N 82759634 573175742 /nfs/dbraw/zinc/17/57/42/573175742.db2.gz KWGUNWXZPKPCKG-WPRPVWTQSA-N 0 3 197.665 2.511 20 0 AFADHN CC[C@@H]1Oc2ccc(Cl)cc2[C@H]1N 82759632 573177216 /nfs/dbraw/zinc/17/72/16/573177216.db2.gz KWGUNWXZPKPCKG-WCBMZHEXSA-N 0 3 197.665 2.511 20 0 AFADHN CC[C@H]1Oc2ccc(Cl)cc2[C@@H]1N 82759633 573178705 /nfs/dbraw/zinc/17/87/05/573178705.db2.gz KWGUNWXZPKPCKG-SCZZXKLOSA-N 0 3 197.665 2.511 20 0 AFADHN CC(C)N1CCc2c(F)cccc2C1 74448091 573339469 /nfs/dbraw/zinc/33/94/69/573339469.db2.gz VVYHRGFGHHHGHU-UHFFFAOYSA-N 0 3 193.265 2.592 20 0 AFADHN CC1(NCc2cc(F)ccc2F)CC1 124456269 573478127 /nfs/dbraw/zinc/47/81/27/573478127.db2.gz DCGLNKBRNQRGDS-UHFFFAOYSA-N 0 3 197.228 2.607 20 0 AFADHN c1coc(CNCCC2CCC2)c1 130359082 573552333 /nfs/dbraw/zinc/55/23/33/573552333.db2.gz LNPWLWHWLUHISW-UHFFFAOYSA-N 0 3 179.263 2.559 20 0 AFADHN Cc1ccc(CNCCC2CCC2)o1 130355514 573553497 /nfs/dbraw/zinc/55/34/97/573553497.db2.gz YGYRNXMFSUWDOO-UHFFFAOYSA-N 0 3 193.290 2.868 20 0 AFADHN CC(C)(C)c1ccc([C@@H](F)CN)cc1 108305648 573752748 /nfs/dbraw/zinc/75/27/48/573752748.db2.gz CGXJELDFSQBKAI-NSHDSACASA-N 0 3 195.281 2.953 20 0 AFADHN Cc1ccc(CNC(C)(C)CF)cc1 308740160 573785334 /nfs/dbraw/zinc/78/53/34/573785334.db2.gz OEJOKSSUDXTVFI-UHFFFAOYSA-N 0 3 195.281 2.833 20 0 AFADHN CCCCCCNCc1nccs1 41012424 573797997 /nfs/dbraw/zinc/79/79/97/573797997.db2.gz JUQCTIGSZMXYMA-UHFFFAOYSA-N 0 3 198.335 2.813 20 0 AFADHN Cc1cccc(CNC(C)(C)CF)c1 308745124 573800758 /nfs/dbraw/zinc/80/07/58/573800758.db2.gz QWRXWAIHDGOAKA-UHFFFAOYSA-N 0 3 195.281 2.833 20 0 AFADHN CCN(Cc1occc1C)C(C)C 393591642 573813460 /nfs/dbraw/zinc/81/34/60/573813460.db2.gz SOKWOUFMQBUFLP-UHFFFAOYSA-N 0 3 181.279 2.818 20 0 AFADHN C[C@@H]1CCN(C/C=C\Cl)C[C@@H]1C 388480664 573817984 /nfs/dbraw/zinc/81/79/84/573817984.db2.gz UNXFNZWHSUEPMB-OSCQXZJKSA-N 0 3 187.714 2.717 20 0 AFADHN CC(C)(C)[C@@H]([NH3+])c1ccc([O-])c(F)c1 238141096 573836680 /nfs/dbraw/zinc/83/66/80/573836680.db2.gz OSKZWEBXLLLTAV-JTQLQIEISA-N 0 3 197.253 2.577 20 0 AFADHN CC(C)(C)[C@H]([NH3+])c1ccc([O-])c(F)c1 238174747 573897713 /nfs/dbraw/zinc/89/77/13/573897713.db2.gz OSKZWEBXLLLTAV-SNVBAGLBSA-N 0 3 197.253 2.577 20 0 AFADHN CC[C@H](C)[C@H](C)NCc1cscn1 42554450 573977274 /nfs/dbraw/zinc/97/72/74/573977274.db2.gz QMLNMZNMUGJAQF-IUCAKERBSA-N 0 3 198.335 2.667 20 0 AFADHN CC[C@H](C)[C@@H](C)NCc1cscn1 42554444 573980726 /nfs/dbraw/zinc/98/07/26/573980726.db2.gz QMLNMZNMUGJAQF-DTWKUNHWSA-N 0 3 198.335 2.667 20 0 AFADHN CCN1CCC=C(c2ccccc2)C1 33883818 486715620 /nfs/dbraw/zinc/71/56/20/486715620.db2.gz WYNKGOQATMYUNG-UHFFFAOYSA-N 0 3 187.286 2.796 20 0 AFADHN C[C@H](N[C@H](C)C1CC1)c1ccco1 35733285 486716484 /nfs/dbraw/zinc/71/64/84/486716484.db2.gz AHQWENXWJDIEBA-BDAKNGLRSA-N 0 3 179.263 2.729 20 0 AFADHN CC[C@@H](C)N1CCO[C@H](C(C)(C)C)C1 669693825 486732582 /nfs/dbraw/zinc/73/25/82/486732582.db2.gz RJIZLNJKBSJYFZ-MNOVXSKESA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@H](C)N1CCO[C@H](C(C)(C)C)C1 669693826 486732779 /nfs/dbraw/zinc/73/27/79/486732779.db2.gz RJIZLNJKBSJYFZ-QWRGUYRKSA-N 0 3 199.338 2.532 20 0 AFADHN CCC[C@H](C)N1CCO[C@](C)(CC)C1 669693522 486732855 /nfs/dbraw/zinc/73/28/55/486732855.db2.gz PXZFTIHSXCGGMU-NWDGAFQWSA-N 0 3 199.338 2.676 20 0 AFADHN CC[C@H](C)N1CCO[C@@H](C(C)(C)C)C1 669693827 486732925 /nfs/dbraw/zinc/73/29/25/486732925.db2.gz RJIZLNJKBSJYFZ-WDEREUQCSA-N 0 3 199.338 2.532 20 0 AFADHN CCC[C@H](C)N1CCO[C@@](C)(CC)C1 669693523 486732952 /nfs/dbraw/zinc/73/29/52/486732952.db2.gz PXZFTIHSXCGGMU-RYUDHWBXSA-N 0 3 199.338 2.676 20 0 AFADHN CC[C@@H](C)N1CCO[C@@H](C(C)(C)C)C1 669693824 486733031 /nfs/dbraw/zinc/73/30/31/486733031.db2.gz RJIZLNJKBSJYFZ-GHMZBOCLSA-N 0 3 199.338 2.532 20 0 AFADHN CCC[C@@H](C)N1CCO[C@@](C)(CC)C1 669693521 486733052 /nfs/dbraw/zinc/73/30/52/486733052.db2.gz PXZFTIHSXCGGMU-NEPJUHHUSA-N 0 3 199.338 2.676 20 0 AFADHN CCC[C@@H](C)N1CCO[C@](C)(CC)C1 669693524 486733180 /nfs/dbraw/zinc/73/31/80/486733180.db2.gz PXZFTIHSXCGGMU-VXGBXAGGSA-N 0 3 199.338 2.676 20 0 AFADHN Cc1nc(CNCC(C)C)sc1C 49811909 486735701 /nfs/dbraw/zinc/73/57/01/486735701.db2.gz CYWFEDSLLFFAEP-UHFFFAOYSA-N 0 3 198.335 2.506 20 0 AFADHN CN(CCCCCF)Cc1ccco1 671239792 486744956 /nfs/dbraw/zinc/74/49/56/486744956.db2.gz SGBUYFGZNYVGJJ-UHFFFAOYSA-N 0 3 199.269 2.851 20 0 AFADHN CN(CCCCCF)Cc1ccoc1 671240091 486745095 /nfs/dbraw/zinc/74/50/95/486745095.db2.gz ITDZDKRSEWGLJU-UHFFFAOYSA-N 0 3 199.269 2.851 20 0 AFADHN CC(C)CN(C)Cc1ccccc1F 671280995 486746505 /nfs/dbraw/zinc/74/65/05/486746505.db2.gz NPLGBDMHOPCQIK-UHFFFAOYSA-N 0 3 195.281 2.914 20 0 AFADHN CC(C)NCc1nc(C(C)C)cs1 53295550 486748060 /nfs/dbraw/zinc/74/80/60/486748060.db2.gz XSRKEPCZFUJUDF-UHFFFAOYSA-N 0 3 198.335 2.765 20 0 AFADHN CCN(CCCCF)Cc1ccoc1 671679985 486751561 /nfs/dbraw/zinc/75/15/61/486751561.db2.gz LDFRBUTWIKZFNP-UHFFFAOYSA-N 0 3 199.269 2.851 20 0 AFADHN Cc1occc1CN(C)CCCCF 671678362 486751667 /nfs/dbraw/zinc/75/16/67/486751667.db2.gz WBPBEUWDEURXFG-UHFFFAOYSA-N 0 3 199.269 2.770 20 0 AFADHN FCCCCN1Cc2ccccc2C1 671681413 486752371 /nfs/dbraw/zinc/75/23/71/486752371.db2.gz WDLPWSZZOKMABJ-UHFFFAOYSA-N 0 3 193.265 2.752 20 0 AFADHN CCCN1CCC=C(c2ccco2)C1 671698201 486753271 /nfs/dbraw/zinc/75/32/71/486753271.db2.gz NCWFLSLFPFGGPN-UHFFFAOYSA-N 0 3 191.274 2.779 20 0 AFADHN CC(C)CCCNCc1cncs1 54788272 486759733 /nfs/dbraw/zinc/75/97/33/486759733.db2.gz CMVYPUUZZPPCFS-UHFFFAOYSA-N 0 3 198.335 2.669 20 0 AFADHN CCCC[C@H](C)NCc1ccoc1 63047487 486768251 /nfs/dbraw/zinc/76/82/51/486768251.db2.gz VYICYOMYPLRASM-JTQLQIEISA-N 0 3 181.279 2.948 20 0 AFADHN CCCC[C@@H](C)NCc1ccoc1 63047486 486768727 /nfs/dbraw/zinc/76/87/27/486768727.db2.gz VYICYOMYPLRASM-SNVBAGLBSA-N 0 3 181.279 2.948 20 0 AFADHN CC(C)NCc1nc(C2CC2)cs1 68906537 486770494 /nfs/dbraw/zinc/77/04/94/486770494.db2.gz WQBQLQFBALMWLN-UHFFFAOYSA-N 0 3 196.319 2.519 20 0 AFADHN CCN(C)Cc1cc2ccccc2o1 673757427 486778370 /nfs/dbraw/zinc/77/83/70/486778370.db2.gz QBDRSQHIAIGXNT-UHFFFAOYSA-N 0 3 189.258 2.885 20 0 AFADHN CCCCN(C)[C@H](C)c1ccccn1 673927365 486782014 /nfs/dbraw/zinc/78/20/14/486782014.db2.gz XAMKKIGHJPQQPI-LLVKDONJSA-N 0 3 192.306 2.875 20 0 AFADHN CCCCN(C)[C@@H](C)c1ccccn1 673927366 486782245 /nfs/dbraw/zinc/78/22/45/486782245.db2.gz XAMKKIGHJPQQPI-NSHDSACASA-N 0 3 192.306 2.875 20 0 AFADHN CC[C@H](C)CN(CC)Cc1ccno1 674008063 486785145 /nfs/dbraw/zinc/78/51/45/486785145.db2.gz WERHKCDXDDZNEO-JTQLQIEISA-N 0 3 196.294 2.543 20 0 AFADHN CC[C@@H](C)CN(CC)Cc1ccno1 674008065 486785241 /nfs/dbraw/zinc/78/52/41/486785241.db2.gz WERHKCDXDDZNEO-SNVBAGLBSA-N 0 3 196.294 2.543 20 0 AFADHN CCCN1CC[C@H]1c1cccc(F)c1 674009549 486785781 /nfs/dbraw/zinc/78/57/81/486785781.db2.gz JLELGHDQQWJWBC-LBPRGKRZSA-N 0 3 193.265 2.983 20 0 AFADHN CCCN1CC[C@@H]1c1cccc(F)c1 674009548 486785980 /nfs/dbraw/zinc/78/59/80/486785980.db2.gz JLELGHDQQWJWBC-GFCCVEGCSA-N 0 3 193.265 2.983 20 0 AFADHN CCCCN[C@@H](CC)c1nccs1 70633881 486790302 /nfs/dbraw/zinc/79/03/02/486790302.db2.gz JFMQNLFFXWBWBW-VIFPVBQESA-N 0 3 198.335 2.984 20 0 AFADHN Cc1csc([C@@H](C)NCC(C)C)n1 70634209 486790270 /nfs/dbraw/zinc/79/02/70/486790270.db2.gz FJSGQVCIIINJRI-SECBINFHSA-N 0 3 198.335 2.758 20 0 AFADHN CCCCN[C@@H](C)c1nc(C)cs1 70634145 486790347 /nfs/dbraw/zinc/79/03/47/486790347.db2.gz RHKZBAIRQRJUTB-VIFPVBQESA-N 0 3 198.335 2.902 20 0 AFADHN CC[C@H](NCC1CC1)c1nccs1 70633887 486790395 /nfs/dbraw/zinc/79/03/95/486790395.db2.gz MBIMVWHIABXWOI-VIFPVBQESA-N 0 3 196.319 2.594 20 0 AFADHN CC[C@H](N[C@H](C)CC)c1nccs1 70633947 486790507 /nfs/dbraw/zinc/79/05/07/486790507.db2.gz XJVQBSACNZYBRD-BDAKNGLRSA-N 0 3 198.335 2.982 20 0 AFADHN Cc1csc([C@H](C)NCC(C)C)n1 70634210 486790521 /nfs/dbraw/zinc/79/05/21/486790521.db2.gz FJSGQVCIIINJRI-VIFPVBQESA-N 0 3 198.335 2.758 20 0 AFADHN CC[C@@H](NCC1CC1)c1nccs1 70633888 486790542 /nfs/dbraw/zinc/79/05/42/486790542.db2.gz MBIMVWHIABXWOI-SECBINFHSA-N 0 3 196.319 2.594 20 0 AFADHN CC[C@H](C)N[C@@H](CC)c1nccs1 70633948 486790555 /nfs/dbraw/zinc/79/05/55/486790555.db2.gz XJVQBSACNZYBRD-IUCAKERBSA-N 0 3 198.335 2.982 20 0 AFADHN CC[C@H](NCC(C)C)c1nccs1 70633909 486790562 /nfs/dbraw/zinc/79/05/62/486790562.db2.gz SMRWADLWMFBWPM-VIFPVBQESA-N 0 3 198.335 2.840 20 0 AFADHN CC[C@@H](C)N[C@@H](C)c1nc(C)cs1 70634225 486790572 /nfs/dbraw/zinc/79/05/72/486790572.db2.gz LYRNIKSGAXGULI-APPZFPTMSA-N 0 3 198.335 2.901 20 0 AFADHN CC[C@@H](C)N[C@H](CC)c1nccs1 70633949 486790606 /nfs/dbraw/zinc/79/06/06/486790606.db2.gz XJVQBSACNZYBRD-RKDXNWHRSA-N 0 3 198.335 2.982 20 0 AFADHN CC[C@H](C)NCc1ccc(Cl)cn1 70624948 486790675 /nfs/dbraw/zinc/79/06/75/486790675.db2.gz LGTNDXWYFVMXSQ-QMMMGPOBSA-N 0 3 198.697 2.623 20 0 AFADHN CC[C@H](C)N[C@H](CC)c1nccs1 70633950 486790736 /nfs/dbraw/zinc/79/07/36/486790736.db2.gz XJVQBSACNZYBRD-DTWKUNHWSA-N 0 3 198.335 2.982 20 0 AFADHN CC[C@@H](NCC(C)C)c1nccs1 70633910 486790755 /nfs/dbraw/zinc/79/07/55/486790755.db2.gz SMRWADLWMFBWPM-SECBINFHSA-N 0 3 198.335 2.840 20 0 AFADHN CC[C@@H](C)N[C@H](C)c1nc(C)cs1 70634227 486790795 /nfs/dbraw/zinc/79/07/95/486790795.db2.gz LYRNIKSGAXGULI-VXNVDRBHSA-N 0 3 198.335 2.901 20 0 AFADHN CC[C@@H](C)NCc1ccc(Cl)cn1 70624947 486790811 /nfs/dbraw/zinc/79/08/11/486790811.db2.gz LGTNDXWYFVMXSQ-MRVPVSSYSA-N 0 3 198.697 2.623 20 0 AFADHN CC[C@H](C)N[C@H](C)c1nc(C)cs1 70634228 486790863 /nfs/dbraw/zinc/79/08/63/486790863.db2.gz LYRNIKSGAXGULI-IONNQARKSA-N 0 3 198.335 2.901 20 0 AFADHN CCCCN[C@H](CC)c1nccs1 70633882 486790893 /nfs/dbraw/zinc/79/08/93/486790893.db2.gz JFMQNLFFXWBWBW-SECBINFHSA-N 0 3 198.335 2.984 20 0 AFADHN CCCCN[C@H](C)c1nc(C)cs1 70634146 486790947 /nfs/dbraw/zinc/79/09/47/486790947.db2.gz RHKZBAIRQRJUTB-SECBINFHSA-N 0 3 198.335 2.902 20 0 AFADHN CC[C@H](C)N[C@@H](C)c1nc(C)cs1 70634226 486791027 /nfs/dbraw/zinc/79/10/27/486791027.db2.gz LYRNIKSGAXGULI-CBAPKCEASA-N 0 3 198.335 2.901 20 0 AFADHN C[C@@H]1CCC[C@@H]1NCc1ccco1 70826105 486793886 /nfs/dbraw/zinc/79/38/86/486793886.db2.gz GMHJQDRLRJASFJ-KOLCDFICSA-N 0 3 179.263 2.558 20 0 AFADHN C[C@H]1CCC[C@H]1NCc1ccco1 70826118 486794293 /nfs/dbraw/zinc/79/42/93/486794293.db2.gz GMHJQDRLRJASFJ-GXSJLCMTSA-N 0 3 179.263 2.558 20 0 AFADHN C[C@@H]1CCC[C@H]1NCc1ccco1 70826113 486794388 /nfs/dbraw/zinc/79/43/88/486794388.db2.gz GMHJQDRLRJASFJ-MWLCHTKSSA-N 0 3 179.263 2.558 20 0 AFADHN C[C@H]1CCC[C@@H]1NCc1ccco1 70826108 486794403 /nfs/dbraw/zinc/79/44/03/486794403.db2.gz GMHJQDRLRJASFJ-ONGXEEELSA-N 0 3 179.263 2.558 20 0 AFADHN CCN(C)Cc1cc2ccccc2[nH]1 674505546 486804108 /nfs/dbraw/zinc/80/41/08/486804108.db2.gz MODRXVPPRMKQPS-UHFFFAOYSA-N 0 3 188.274 2.620 20 0 AFADHN C[C@H]1CCCN1Cc1cccc(F)c1 674459450 486800858 /nfs/dbraw/zinc/80/08/58/486800858.db2.gz PVSKFRQBDNPIEO-JTQLQIEISA-N 0 3 193.265 2.810 20 0 AFADHN C[C@@H]1CCCN1Cc1cccc(F)c1 674459451 486800950 /nfs/dbraw/zinc/80/09/50/486800950.db2.gz PVSKFRQBDNPIEO-SNVBAGLBSA-N 0 3 193.265 2.810 20 0 AFADHN CCN(C1CC1)[C@@H](C)c1ccco1 674757165 486810485 /nfs/dbraw/zinc/81/04/85/486810485.db2.gz YFBFNULUOAGEGL-VIFPVBQESA-N 0 3 179.263 2.825 20 0 AFADHN CC[C@H](C)CN1C[C@H](CC)O[C@H](C)C1 674865619 486817503 /nfs/dbraw/zinc/81/75/03/486817503.db2.gz MUGBXXPYWIOYGI-TUAOUCFPSA-N 0 3 199.338 2.532 20 0 AFADHN CCN(C1CC1)[C@H](C)c1ccco1 674757164 486811196 /nfs/dbraw/zinc/81/11/96/486811196.db2.gz YFBFNULUOAGEGL-SECBINFHSA-N 0 3 179.263 2.825 20 0 AFADHN CC[C@@H](C)CN(C)Cc1ccco1 674859228 486813821 /nfs/dbraw/zinc/81/38/21/486813821.db2.gz KJCBTOZVNFKUSJ-SNVBAGLBSA-N 0 3 181.279 2.758 20 0 AFADHN CC[C@H](C)CN(C)Cc1ccco1 674859227 486814090 /nfs/dbraw/zinc/81/40/90/486814090.db2.gz KJCBTOZVNFKUSJ-JTQLQIEISA-N 0 3 181.279 2.758 20 0 AFADHN CC[C@@H](C)CN(C)Cc1ccoc1 674861554 486815380 /nfs/dbraw/zinc/81/53/80/486815380.db2.gz WTIZEPPPXZRXIL-SNVBAGLBSA-N 0 3 181.279 2.758 20 0 AFADHN CC[C@H](C)CN(C)Cc1ccoc1 674861553 486815713 /nfs/dbraw/zinc/81/57/13/486815713.db2.gz WTIZEPPPXZRXIL-JTQLQIEISA-N 0 3 181.279 2.758 20 0 AFADHN CC[C@H](C)CN1C[C@H](C)O[C@H](CC)C1 674865617 486817733 /nfs/dbraw/zinc/81/77/33/486817733.db2.gz MUGBXXPYWIOYGI-SDDRHHMPSA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@H](C)CN1C[C@H](C)O[C@@H](CC)C1 674865618 486817609 /nfs/dbraw/zinc/81/76/09/486817609.db2.gz MUGBXXPYWIOYGI-SRVKXCTJSA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@H](C)CN1C[C@@H](C)O[C@H](CC)C1 674865616 486817934 /nfs/dbraw/zinc/81/79/34/486817934.db2.gz MUGBXXPYWIOYGI-QJPTWQEYSA-N 0 3 199.338 2.532 20 0 AFADHN CCCCN1CCn2cccc2[C@H]1C 674899936 486820121 /nfs/dbraw/zinc/82/01/21/486820121.db2.gz LHBBTXNAICLCNN-LLVKDONJSA-N 0 3 192.306 2.665 20 0 AFADHN CCCCN1CCn2cccc2[C@@H]1C 674899937 486820709 /nfs/dbraw/zinc/82/07/09/486820709.db2.gz LHBBTXNAICLCNN-NSHDSACASA-N 0 3 192.306 2.665 20 0 AFADHN CCCCCN1C[C@H](C)OC[C@H]1CC 675052355 486826068 /nfs/dbraw/zinc/82/60/68/486826068.db2.gz VEZKEPZXKPGNEC-NWDGAFQWSA-N 0 3 199.338 2.676 20 0 AFADHN CC[C@@H]1CO[C@@H](C)CN1CCC(C)C 675052291 486826204 /nfs/dbraw/zinc/82/62/04/486826204.db2.gz MYLMQOQKFZYNOL-NWDGAFQWSA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@H]1CO[C@H](C)CN1CCC(C)C 675052290 486826231 /nfs/dbraw/zinc/82/62/31/486826231.db2.gz MYLMQOQKFZYNOL-NEPJUHHUSA-N 0 3 199.338 2.532 20 0 AFADHN CCCCCN1C[C@@H](C)OC[C@H]1CC 675052357 486826299 /nfs/dbraw/zinc/82/62/99/486826299.db2.gz VEZKEPZXKPGNEC-VXGBXAGGSA-N 0 3 199.338 2.676 20 0 AFADHN CC[C@H]1CO[C@@H](C)CN1CCC(C)C 675052292 486826538 /nfs/dbraw/zinc/82/65/38/486826538.db2.gz MYLMQOQKFZYNOL-RYUDHWBXSA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@@H]1CO[C@H](C)CN1CCC(C)C 675052293 486826567 /nfs/dbraw/zinc/82/65/67/486826567.db2.gz MYLMQOQKFZYNOL-VXGBXAGGSA-N 0 3 199.338 2.532 20 0 AFADHN CC(C)CCN(C)Cc1cccnc1 675052379 486826617 /nfs/dbraw/zinc/82/66/17/486826617.db2.gz WMCQKIJHGYHTIY-UHFFFAOYSA-N 0 3 192.306 2.560 20 0 AFADHN CCCCCN1C[C@H](C)OC[C@@H]1CC 675052356 486826677 /nfs/dbraw/zinc/82/66/77/486826677.db2.gz VEZKEPZXKPGNEC-RYUDHWBXSA-N 0 3 199.338 2.676 20 0 AFADHN CCCCCN1C[C@@H](C)OC[C@@H]1CC 675052354 486826868 /nfs/dbraw/zinc/82/68/68/486826868.db2.gz VEZKEPZXKPGNEC-NEPJUHHUSA-N 0 3 199.338 2.676 20 0 AFADHN CCCN[C@H]1CCCc2scnc21 83117223 486831725 /nfs/dbraw/zinc/83/17/25/486831725.db2.gz LVXBEWANBHVIMQ-QMMMGPOBSA-N 0 3 196.319 2.520 20 0 AFADHN CCCN[C@@H]1CCCc2scnc21 83117222 486832057 /nfs/dbraw/zinc/83/20/57/486832057.db2.gz LVXBEWANBHVIMQ-MRVPVSSYSA-N 0 3 196.319 2.520 20 0 AFADHN CCCNCc1cccc(C)c1F 83340640 486832721 /nfs/dbraw/zinc/83/27/21/486832721.db2.gz ZBNORSUXORSFOP-UHFFFAOYSA-N 0 3 181.254 2.634 20 0 AFADHN CCCCN(C)Cc1ccc(C)nc1 675514888 486842164 /nfs/dbraw/zinc/84/21/64/486842164.db2.gz LRANSVQEULJHSW-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN CCN(Cc1ccoc1)CC1CC1 675638984 486845709 /nfs/dbraw/zinc/84/57/09/486845709.db2.gz BHLWLIHKTTXEFF-UHFFFAOYSA-N 0 3 179.263 2.512 20 0 AFADHN CCN(Cc1ccco1)CC1CC1 675640074 486846947 /nfs/dbraw/zinc/84/69/47/486846947.db2.gz NCDMSWMIJDHEDP-UHFFFAOYSA-N 0 3 179.263 2.512 20 0 AFADHN C[C@@H](c1ccco1)N(C)CC1CC1 675640206 486846923 /nfs/dbraw/zinc/84/69/23/486846923.db2.gz QUBSOKPUHLTDQA-VIFPVBQESA-N 0 3 179.263 2.682 20 0 AFADHN C[C@H](c1ccco1)N(C)CC1CC1 675640205 486847369 /nfs/dbraw/zinc/84/73/69/486847369.db2.gz QUBSOKPUHLTDQA-SECBINFHSA-N 0 3 179.263 2.682 20 0 AFADHN CCCCCN1CCOC(C)(C)[C@@H]1C 675640977 486848323 /nfs/dbraw/zinc/84/83/23/486848323.db2.gz VDCHXVVKXWYUBC-NSHDSACASA-N 0 3 199.338 2.676 20 0 AFADHN CCCCCN1CCOC(C)(C)[C@H]1C 675640976 486848844 /nfs/dbraw/zinc/84/88/44/486848844.db2.gz VDCHXVVKXWYUBC-LLVKDONJSA-N 0 3 199.338 2.676 20 0 AFADHN Cc1ccc(CN(C)CCCF)cc1 675884290 486850464 /nfs/dbraw/zinc/85/04/64/486850464.db2.gz QXBGJKXBTMKOCO-UHFFFAOYSA-N 0 3 195.281 2.786 20 0 AFADHN CC(C)N(CCCF)Cc1ccco1 675887119 486851195 /nfs/dbraw/zinc/85/11/95/486851195.db2.gz WIQGFHKLLJJLDW-UHFFFAOYSA-N 0 3 199.269 2.850 20 0 AFADHN FCCCN1CC[C@H]1c1ccccc1 675892402 486851910 /nfs/dbraw/zinc/85/19/10/486851910.db2.gz QMMHUEZCQQUPKR-LBPRGKRZSA-N 0 3 193.265 2.793 20 0 AFADHN FCCCN1CC[C@@H]1c1ccccc1 675892398 486852458 /nfs/dbraw/zinc/85/24/58/486852458.db2.gz QMMHUEZCQQUPKR-GFCCVEGCSA-N 0 3 193.265 2.793 20 0 AFADHN FCCCN1CCC[C@H]1c1ccc[nH]1 675953328 486853532 /nfs/dbraw/zinc/85/35/32/486853532.db2.gz KPKKDZNIIXWGQK-NSHDSACASA-N 0 3 196.269 2.511 20 0 AFADHN FCCCN1CCC[C@@H]1c1ccc[nH]1 675953323 486853995 /nfs/dbraw/zinc/85/39/95/486853995.db2.gz KPKKDZNIIXWGQK-LLVKDONJSA-N 0 3 196.269 2.511 20 0 AFADHN CCCN(CC)Cc1cccnc1C 676413228 486861577 /nfs/dbraw/zinc/86/15/77/486861577.db2.gz AEJYAWPFZGUQSD-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN Cc1ccoc1CN(C)CC1CCC1 676462500 486861649 /nfs/dbraw/zinc/86/16/49/486861649.db2.gz CSIWOQBTMXCOTA-UHFFFAOYSA-N 0 3 193.290 2.820 20 0 AFADHN CCCN(CC)Cc1ccc(C)cn1 676414736 486861851 /nfs/dbraw/zinc/86/18/51/486861851.db2.gz XKSXWBSAENIGEU-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN CCCCN(C)Cc1cnccc1C 676505650 486862627 /nfs/dbraw/zinc/86/26/27/486862627.db2.gz GFNIRULOVAMMGN-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN CCCCN(C)Cc1ccc(C)cn1 676505958 486862751 /nfs/dbraw/zinc/86/27/51/486862751.db2.gz NTZBMDHHJOBPJT-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN CC[C@@H](C)CN(C)Cc1ccncc1 676485700 486863142 /nfs/dbraw/zinc/86/31/42/486863142.db2.gz IVXUUKDHZKWSTJ-LLVKDONJSA-N 0 3 192.306 2.560 20 0 AFADHN CC[C@H](C)CN(C)Cc1ccncc1 676485701 486863471 /nfs/dbraw/zinc/86/34/71/486863471.db2.gz IVXUUKDHZKWSTJ-NSHDSACASA-N 0 3 192.306 2.560 20 0 AFADHN CCCN(CC)Cc1cnccc1C 676557199 486864655 /nfs/dbraw/zinc/86/46/55/486864655.db2.gz MFRSNHWXSRNJJB-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN CC[C@H](C)N(C)Cc1cnccc1C 676688090 486866454 /nfs/dbraw/zinc/86/64/54/486866454.db2.gz GWZJKFNSQPZYSY-NSHDSACASA-N 0 3 192.306 2.620 20 0 AFADHN CC[C@@H](C)N(C)Cc1ccc(C)cn1 676688404 486866652 /nfs/dbraw/zinc/86/66/52/486866652.db2.gz LCKDRJOGRSHVKM-LLVKDONJSA-N 0 3 192.306 2.620 20 0 AFADHN CC[C@@H](C)N(C)Cc1cnccc1C 676688089 486866731 /nfs/dbraw/zinc/86/67/31/486866731.db2.gz GWZJKFNSQPZYSY-LLVKDONJSA-N 0 3 192.306 2.620 20 0 AFADHN CC[C@H](C)N(C)Cc1ccc(C)cn1 676688405 486866894 /nfs/dbraw/zinc/86/68/94/486866894.db2.gz LCKDRJOGRSHVKM-NSHDSACASA-N 0 3 192.306 2.620 20 0 AFADHN CCCN1CCc2ccc(F)cc2C1 676707658 486867850 /nfs/dbraw/zinc/86/78/50/486867850.db2.gz BVWOYWYYJZLIAX-UHFFFAOYSA-N 0 3 193.265 2.594 20 0 AFADHN CCC(CC)N(CC)Cc1ccon1 677243589 486880757 /nfs/dbraw/zinc/88/07/57/486880757.db2.gz IRVAQGUOLHPUTD-UHFFFAOYSA-N 0 3 196.294 2.685 20 0 AFADHN CCC(CC)N(CC)Cc1ccno1 677235313 486880894 /nfs/dbraw/zinc/88/08/94/486880894.db2.gz YUBTXAJTOAZJEU-UHFFFAOYSA-N 0 3 196.294 2.685 20 0 AFADHN CCC[C@H]1CN(CCC(C)C)CCO1 677571236 486889999 /nfs/dbraw/zinc/88/99/99/486889999.db2.gz ZEXDPZWJZWOUTK-LBPRGKRZSA-N 0 3 199.338 2.533 20 0 AFADHN CCC[C@@H]1CN(C[C@H](C)CC)CCO1 677571677 486890148 /nfs/dbraw/zinc/89/01/48/486890148.db2.gz IMRFYSCFRWUOKW-VXGBXAGGSA-N 0 3 199.338 2.533 20 0 AFADHN CCC[C@H]1CN(C[C@H](C)CC)CCO1 677571674 486890326 /nfs/dbraw/zinc/89/03/26/486890326.db2.gz IMRFYSCFRWUOKW-NEPJUHHUSA-N 0 3 199.338 2.533 20 0 AFADHN CCC[C@@H]1CN(CCC(C)C)CCO1 677571234 486890405 /nfs/dbraw/zinc/89/04/05/486890405.db2.gz ZEXDPZWJZWOUTK-GFCCVEGCSA-N 0 3 199.338 2.533 20 0 AFADHN CCC[C@H]1CN(C[C@@H](C)CC)CCO1 677571676 486890748 /nfs/dbraw/zinc/89/07/48/486890748.db2.gz IMRFYSCFRWUOKW-RYUDHWBXSA-N 0 3 199.338 2.533 20 0 AFADHN CCC[C@@H]1CN(C[C@@H](C)CC)CCO1 677571675 486890823 /nfs/dbraw/zinc/89/08/23/486890823.db2.gz IMRFYSCFRWUOKW-NWDGAFQWSA-N 0 3 199.338 2.533 20 0 AFADHN Cc1ccc(CNCC2CC2)c(F)c1 87331623 486893475 /nfs/dbraw/zinc/89/34/75/486893475.db2.gz NOFFGJFMKSGDIA-UHFFFAOYSA-N 0 3 193.265 2.634 20 0 AFADHN CCCCCN1CCOC[C@]1(C)CC 677728681 486895840 /nfs/dbraw/zinc/89/58/40/486895840.db2.gz KDANOPDNQLBFBO-LBPRGKRZSA-N 0 3 199.338 2.678 20 0 AFADHN CCCCCN1CCOC[C@@]1(C)CC 677728680 486895868 /nfs/dbraw/zinc/89/58/68/486895868.db2.gz KDANOPDNQLBFBO-GFCCVEGCSA-N 0 3 199.338 2.678 20 0 AFADHN CC[C@]1(C)COCCN1CCC(C)C 677728987 486896070 /nfs/dbraw/zinc/89/60/70/486896070.db2.gz REFDXLLDNLFWFL-GFCCVEGCSA-N 0 3 199.338 2.533 20 0 AFADHN CC[C@@]1(C)COCCN1CCC(C)C 677728988 486896088 /nfs/dbraw/zinc/89/60/88/486896088.db2.gz REFDXLLDNLFWFL-LBPRGKRZSA-N 0 3 199.338 2.533 20 0 AFADHN CC[C@H](NCCF)c1ccccc1 87775064 486901637 /nfs/dbraw/zinc/90/16/37/486901637.db2.gz JNRBDRUHIXFNOT-NSHDSACASA-N 0 3 181.254 2.697 20 0 AFADHN CC[C@@H](NCCF)c1ccccc1 87775065 486901757 /nfs/dbraw/zinc/90/17/57/486901757.db2.gz JNRBDRUHIXFNOT-LLVKDONJSA-N 0 3 181.254 2.697 20 0 AFADHN CCC(CC)CN1CCO[C@@H](CC)C1 678131602 486919473 /nfs/dbraw/zinc/91/94/73/486919473.db2.gz FKTMAGBSSUVAQV-LBPRGKRZSA-N 0 3 199.338 2.533 20 0 AFADHN CCCN1CCc2cccc(F)c2C1 678088980 486916799 /nfs/dbraw/zinc/91/67/99/486916799.db2.gz LCNRUEZNVHWLIK-UHFFFAOYSA-N 0 3 193.265 2.594 20 0 AFADHN CCC(CC)CN1C[C@H](C)O[C@H](C)C1 678118314 486917407 /nfs/dbraw/zinc/91/74/07/486917407.db2.gz PTKLKEYECYWUSH-PHIMTYICSA-N 0 3 199.338 2.532 20 0 AFADHN CCCCN(C)Cc1cccnc1C 678120576 486917536 /nfs/dbraw/zinc/91/75/36/486917536.db2.gz LJFYBYVALHDGKL-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN Cc1ccoc1CN1CCC[C@H](C)C1 678120485 486917588 /nfs/dbraw/zinc/91/75/88/486917588.db2.gz IJYSFXWNGVVZJB-JTQLQIEISA-N 0 3 193.290 2.820 20 0 AFADHN CCN(CC)Cc1cc(C)ccc1F 678120387 486917600 /nfs/dbraw/zinc/91/76/00/486917600.db2.gz PWMCISPKYWEESS-UHFFFAOYSA-N 0 3 195.281 2.976 20 0 AFADHN Cc1ccc(CN2CCC[C@@H](C)C2)o1 678120848 486917668 /nfs/dbraw/zinc/91/76/68/486917668.db2.gz RHHFFFJXFZKQFS-SNVBAGLBSA-N 0 3 193.290 2.820 20 0 AFADHN Cc1ccoc1CN1CCC(C)CC1 678120596 486917907 /nfs/dbraw/zinc/91/79/07/486917907.db2.gz DZUZJSXADHCTAL-UHFFFAOYSA-N 0 3 193.290 2.820 20 0 AFADHN Cc1ccc(CN2CCCC[C@@H]2C)o1 678120915 486917927 /nfs/dbraw/zinc/91/79/27/486917927.db2.gz LOQMJAGJJFQABS-JTQLQIEISA-N 0 3 193.290 2.962 20 0 AFADHN Cc1ccc(F)c(CN(C)C(C)C)c1 678120923 486918011 /nfs/dbraw/zinc/91/80/11/486918011.db2.gz LZBZDMQSKJCZAZ-UHFFFAOYSA-N 0 3 195.281 2.974 20 0 AFADHN Cc1ccoc1CN1CCC[C@@H](C)C1 678120486 486918055 /nfs/dbraw/zinc/91/80/55/486918055.db2.gz IJYSFXWNGVVZJB-SNVBAGLBSA-N 0 3 193.290 2.820 20 0 AFADHN C[C@@H]1CCN(Cc2ccco2)C[C@@H]1C 678270380 486930000 /nfs/dbraw/zinc/93/00/00/486930000.db2.gz NIFSWWMMGSIUPN-MNOVXSKESA-N 0 3 193.290 2.758 20 0 AFADHN Cc1ccc(CN2CCC[C@H](C)C2)o1 678120847 486918190 /nfs/dbraw/zinc/91/81/90/486918190.db2.gz RHHFFFJXFZKQFS-JTQLQIEISA-N 0 3 193.290 2.820 20 0 AFADHN Cc1ccc(CN2CCCC[C@H]2C)o1 678120916 486918215 /nfs/dbraw/zinc/91/82/15/486918215.db2.gz LOQMJAGJJFQABS-SNVBAGLBSA-N 0 3 193.290 2.962 20 0 AFADHN CC(C)N(C)Cc1cc(F)cc(F)c1 678121137 486918587 /nfs/dbraw/zinc/91/85/87/486918587.db2.gz RHUYAUXQUWUTNR-UHFFFAOYSA-N 0 3 199.244 2.805 20 0 AFADHN CCC(CC)CN1CCO[C@H](CC)C1 678131601 486918885 /nfs/dbraw/zinc/91/88/85/486918885.db2.gz FKTMAGBSSUVAQV-GFCCVEGCSA-N 0 3 199.338 2.533 20 0 AFADHN Cc1ccoc1CN(C)CC(C)C 678132302 486918917 /nfs/dbraw/zinc/91/89/17/486918917.db2.gz BACRDEPKQGCOMM-UHFFFAOYSA-N 0 3 181.279 2.676 20 0 AFADHN Cc1ccoc1CN1CCCC[C@H]1C 678121206 486919050 /nfs/dbraw/zinc/91/90/50/486919050.db2.gz WWVHBHSNDYTIPX-LLVKDONJSA-N 0 3 193.290 2.962 20 0 AFADHN Cc1ccoc1CN(C)C1CCCC1 678128205 486919092 /nfs/dbraw/zinc/91/90/92/486919092.db2.gz PTDCOFMDCADDHW-UHFFFAOYSA-N 0 3 193.290 2.962 20 0 AFADHN CCCN(C)Cc1cc(C)ccc1F 678132689 486919160 /nfs/dbraw/zinc/91/91/60/486919160.db2.gz KSIDTUUXFKDGNJ-UHFFFAOYSA-N 0 3 195.281 2.976 20 0 AFADHN Cc1ccoc1CN1C2CCC1CC2 678131578 486919171 /nfs/dbraw/zinc/91/91/71/486919171.db2.gz HLJQFAGQDHQQDH-UHFFFAOYSA-N 0 3 191.274 2.715 20 0 AFADHN CCc1ccc(CN(C)CC(C)C)o1 678132409 486919277 /nfs/dbraw/zinc/91/92/77/486919277.db2.gz DXKSGFVKZZARAC-UHFFFAOYSA-N 0 3 195.306 2.930 20 0 AFADHN Cc1ccoc1CN1CCCC[C@@H]1C 678121207 486919357 /nfs/dbraw/zinc/91/93/57/486919357.db2.gz WWVHBHSNDYTIPX-NSHDSACASA-N 0 3 193.290 2.962 20 0 AFADHN Cc1ccc(CN(C)C2CCCC2)o1 678127832 486919410 /nfs/dbraw/zinc/91/94/10/486919410.db2.gz FMXCBEHUJLZGDR-UHFFFAOYSA-N 0 3 193.290 2.962 20 0 AFADHN CCCN(Cc1occc1C)C1CC1 678138092 486919791 /nfs/dbraw/zinc/91/97/91/486919791.db2.gz DIUDTQUEEMFWPW-UHFFFAOYSA-N 0 3 193.290 2.962 20 0 AFADHN CCc1ccc(CN(CC)C2CC2)o1 678138234 486920455 /nfs/dbraw/zinc/92/04/55/486920455.db2.gz OPZPMABSENOXJF-UHFFFAOYSA-N 0 3 193.290 2.826 20 0 AFADHN CCCN(C)Cc1cc(F)cc(F)c1 678132951 486920499 /nfs/dbraw/zinc/92/04/99/486920499.db2.gz QEKWGFAKSWXQQA-UHFFFAOYSA-N 0 3 199.244 2.807 20 0 AFADHN Cc1ccc(CN(C)C2CC2)cc1F 678141644 486921119 /nfs/dbraw/zinc/92/11/19/486921119.db2.gz YSQDKSQVBUNWCC-UHFFFAOYSA-N 0 3 193.265 2.728 20 0 AFADHN CC[C@@H](C)N(C)Cc1cccnc1C 678140760 486921335 /nfs/dbraw/zinc/92/13/35/486921335.db2.gz LDCSKUUJTTWKQQ-SNVBAGLBSA-N 0 3 192.306 2.620 20 0 AFADHN Cc1cc(CN(C)C2CC2)ccc1F 678140666 486921454 /nfs/dbraw/zinc/92/14/54/486921454.db2.gz GXVSITLTRGONBL-UHFFFAOYSA-N 0 3 193.265 2.728 20 0 AFADHN Cc1cc(F)ccc1CN(C)C1CC1 678141513 486921721 /nfs/dbraw/zinc/92/17/21/486921721.db2.gz SRVIKLOFEAAMFR-UHFFFAOYSA-N 0 3 193.265 2.728 20 0 AFADHN Cc1ccoc1CN(C)[C@@H](C)C1CC1 678144381 486921797 /nfs/dbraw/zinc/92/17/97/486921797.db2.gz IADHONOBFOEZFW-JTQLQIEISA-N 0 3 193.290 2.818 20 0 AFADHN CC[C@H](C)N(C)Cc1cccnc1C 678140759 486921939 /nfs/dbraw/zinc/92/19/39/486921939.db2.gz LDCSKUUJTTWKQQ-JTQLQIEISA-N 0 3 192.306 2.620 20 0 AFADHN Cc1ccoc1CN(C)[C@H](C)C1CC1 678144382 486921968 /nfs/dbraw/zinc/92/19/68/486921968.db2.gz IADHONOBFOEZFW-SNVBAGLBSA-N 0 3 193.290 2.818 20 0 AFADHN CCC(CC)CN1C[C@H](C)OC[C@@H]1C 678153729 486922687 /nfs/dbraw/zinc/92/26/87/486922687.db2.gz RQDZYRNGYWNWTK-QWRGUYRKSA-N 0 3 199.338 2.532 20 0 AFADHN CCC(CC)CN1C[C@@H](C)OC[C@@H]1C 678153730 486922724 /nfs/dbraw/zinc/92/27/24/486922724.db2.gz RQDZYRNGYWNWTK-WDEREUQCSA-N 0 3 199.338 2.532 20 0 AFADHN CCC(CC)CN1C[C@H](C)OC[C@H]1C 678153728 486923025 /nfs/dbraw/zinc/92/30/25/486923025.db2.gz RQDZYRNGYWNWTK-MNOVXSKESA-N 0 3 199.338 2.532 20 0 AFADHN CCC(CC)CN1C[C@@H](C)OC[C@H]1C 678153727 486923145 /nfs/dbraw/zinc/92/31/45/486923145.db2.gz RQDZYRNGYWNWTK-GHMZBOCLSA-N 0 3 199.338 2.532 20 0 AFADHN Cc1ccc(CN(C)[C@@H](C)C2CC2)o1 678144617 486923206 /nfs/dbraw/zinc/92/32/06/486923206.db2.gz NYMLWWAUBODZIO-JTQLQIEISA-N 0 3 193.290 2.818 20 0 AFADHN Cc1ccoc1CN(C(C)C)C1CC1 678152404 486923551 /nfs/dbraw/zinc/92/35/51/486923551.db2.gz JRLLJQXWSLNPSO-UHFFFAOYSA-N 0 3 193.290 2.961 20 0 AFADHN Cc1ccc(CN(C)[C@H](C)C2CC2)o1 678144618 486923613 /nfs/dbraw/zinc/92/36/13/486923613.db2.gz NYMLWWAUBODZIO-SNVBAGLBSA-N 0 3 193.290 2.818 20 0 AFADHN CC[C@H]1CCCN(Cc2ccco2)C1 678180208 486924414 /nfs/dbraw/zinc/92/44/14/486924414.db2.gz UNBDKRQBIATIJM-NSHDSACASA-N 0 3 193.290 2.902 20 0 AFADHN CC1(C)CCCN(Cc2ccco2)C1 678184868 486924439 /nfs/dbraw/zinc/92/44/39/486924439.db2.gz UWVRNBFRHLIBSF-UHFFFAOYSA-N 0 3 193.290 2.902 20 0 AFADHN CC[C@@H]1CCCN(Cc2ccco2)C1 678180206 486924480 /nfs/dbraw/zinc/92/44/80/486924480.db2.gz UNBDKRQBIATIJM-LLVKDONJSA-N 0 3 193.290 2.902 20 0 AFADHN CCC(CC)CN1CCOC[C@@H]1CC 678182646 486924550 /nfs/dbraw/zinc/92/45/50/486924550.db2.gz ZVYCJDFTSNPAHM-LBPRGKRZSA-N 0 3 199.338 2.533 20 0 AFADHN CCC(CC)CN1CCOC[C@H]1CC 678182645 486924620 /nfs/dbraw/zinc/92/46/20/486924620.db2.gz ZVYCJDFTSNPAHM-GFCCVEGCSA-N 0 3 199.338 2.533 20 0 AFADHN CC[C@@H](C)CN(C)Cc1cncs1 678172132 486924685 /nfs/dbraw/zinc/92/46/85/486924685.db2.gz ARKWJZVNNJPKNT-SECBINFHSA-N 0 3 198.335 2.621 20 0 AFADHN CC[C@H](C)CN(C)Cc1cncs1 678172142 486924941 /nfs/dbraw/zinc/92/49/41/486924941.db2.gz ARKWJZVNNJPKNT-VIFPVBQESA-N 0 3 198.335 2.621 20 0 AFADHN CCCN1CCc2cc(F)ccc2C1 678177261 486924953 /nfs/dbraw/zinc/92/49/53/486924953.db2.gz AKPVMFOZQAPRRT-UHFFFAOYSA-N 0 3 193.265 2.594 20 0 AFADHN CN(Cc1cccn1C)CC(C)(C)C 678195243 486925421 /nfs/dbraw/zinc/92/54/21/486925421.db2.gz DMZVLSSCFYECDG-UHFFFAOYSA-N 0 3 194.322 2.503 20 0 AFADHN CCc1ccc(CN2CC[C@@H](C)C2)o1 678214265 486925447 /nfs/dbraw/zinc/92/54/47/486925447.db2.gz OXLUVUSJOAZOTI-SNVBAGLBSA-N 0 3 193.290 2.684 20 0 AFADHN CCc1ccc(CN2CC[C@H](C)C2)o1 678214264 486925645 /nfs/dbraw/zinc/92/56/45/486925645.db2.gz OXLUVUSJOAZOTI-JTQLQIEISA-N 0 3 193.290 2.684 20 0 AFADHN CCC(CC)CN1CCOCC1(C)C 678210538 486926285 /nfs/dbraw/zinc/92/62/85/486926285.db2.gz NKQXZNLJMMZMDJ-UHFFFAOYSA-N 0 3 199.338 2.533 20 0 AFADHN CC(C)=CCNCc1ccccc1 115627483 486926543 /nfs/dbraw/zinc/92/65/43/486926543.db2.gz SQKLIAQJTALAPF-UHFFFAOYSA-N 0 3 175.275 2.742 20 0 AFADHN Cc1occc1CN(C)C1CCCC1 678233727 486927232 /nfs/dbraw/zinc/92/72/32/486927232.db2.gz UANLRYVAGDZUFM-UHFFFAOYSA-N 0 3 193.290 2.962 20 0 AFADHN CC1(C)CCN(Cc2ccco2)CC1 678234887 486927642 /nfs/dbraw/zinc/92/76/42/486927642.db2.gz UWTWQRIYMVWCGD-UHFFFAOYSA-N 0 3 193.290 2.902 20 0 AFADHN CCC(CC)CN1CCO[C@@H](C)[C@@H]1C 678268259 486928004 /nfs/dbraw/zinc/92/80/04/486928004.db2.gz XTIBOXLCIYGGQW-QWRGUYRKSA-N 0 3 199.338 2.532 20 0 AFADHN CCc1ccc(CN2CCC[C@H]2C)o1 678259518 486928254 /nfs/dbraw/zinc/92/82/54/486928254.db2.gz ATUJIAMDGMDCGO-SNVBAGLBSA-N 0 3 193.290 2.826 20 0 AFADHN Cc1ccoc1CN1CCC(C)(C)C1 678260181 486928331 /nfs/dbraw/zinc/92/83/31/486928331.db2.gz AONCLMVAKWCXEY-UHFFFAOYSA-N 0 3 193.290 2.820 20 0 AFADHN CCN(Cc1occc1C)CC1CC1 678263191 486928459 /nfs/dbraw/zinc/92/84/59/486928459.db2.gz FPXBYIVOKVVQJW-UHFFFAOYSA-N 0 3 193.290 2.820 20 0 AFADHN CCC(CC)CN1CCO[C@H](C)[C@H]1C 678268256 486928570 /nfs/dbraw/zinc/92/85/70/486928570.db2.gz XTIBOXLCIYGGQW-GHMZBOCLSA-N 0 3 199.338 2.532 20 0 AFADHN CCc1ccc(CN2CCC[C@@H]2C)o1 678259517 486928582 /nfs/dbraw/zinc/92/85/82/486928582.db2.gz ATUJIAMDGMDCGO-JTQLQIEISA-N 0 3 193.290 2.826 20 0 AFADHN CCC(CC)CN1CCO[C@H](C)[C@@H]1C 678268359 486928683 /nfs/dbraw/zinc/92/86/83/486928683.db2.gz XTIBOXLCIYGGQW-WDEREUQCSA-N 0 3 199.338 2.532 20 0 AFADHN Cc1ccc(CN2CCC(C)(C)C2)o1 678260227 486928689 /nfs/dbraw/zinc/92/86/89/486928689.db2.gz CFFCTQQQCADBKM-UHFFFAOYSA-N 0 3 193.290 2.820 20 0 AFADHN CCN(Cc1ccc(C)o1)CC1CC1 678264276 486928719 /nfs/dbraw/zinc/92/87/19/486928719.db2.gz SRUMUNZQYHHMTE-UHFFFAOYSA-N 0 3 193.290 2.820 20 0 AFADHN CCC(CC)CN1CCO[C@@H](C)[C@H]1C 678268257 486928739 /nfs/dbraw/zinc/92/87/39/486928739.db2.gz XTIBOXLCIYGGQW-MNOVXSKESA-N 0 3 199.338 2.532 20 0 AFADHN C[C@H]1CCN(Cc2ccco2)C[C@H]1C 678270382 486929108 /nfs/dbraw/zinc/92/91/08/486929108.db2.gz NIFSWWMMGSIUPN-WDEREUQCSA-N 0 3 193.290 2.758 20 0 AFADHN C[C@@H]1CN(Cc2ccco2)CC[C@H]1C 678270379 486929373 /nfs/dbraw/zinc/92/93/73/486929373.db2.gz NIFSWWMMGSIUPN-GHMZBOCLSA-N 0 3 193.290 2.758 20 0 AFADHN CCN(Cc1occc1C)C1CCC1 678272300 486929404 /nfs/dbraw/zinc/92/94/04/486929404.db2.gz DHODLPTUIJDNLZ-UHFFFAOYSA-N 0 3 193.290 2.962 20 0 AFADHN C[C@H]1CCN(Cc2ccco2)C[C@@H]1C 678270381 486929450 /nfs/dbraw/zinc/92/94/50/486929450.db2.gz NIFSWWMMGSIUPN-QWRGUYRKSA-N 0 3 193.290 2.758 20 0 AFADHN CCc1ccc(CN(C)C2CCC2)o1 678268959 486930051 /nfs/dbraw/zinc/93/00/51/486930051.db2.gz DAVJCMIHOMOZCE-UHFFFAOYSA-N 0 3 193.290 2.826 20 0 AFADHN CCN(Cc1ccc(C)o1)C1CCC1 678272422 486930211 /nfs/dbraw/zinc/93/02/11/486930211.db2.gz FZNAGHNXMHAXDH-UHFFFAOYSA-N 0 3 193.290 2.962 20 0 AFADHN CC[C@@]1(C)CCN(Cc2ccco2)C1 678285510 486930940 /nfs/dbraw/zinc/93/09/40/486930940.db2.gz JUIKPBWSIRKUER-LBPRGKRZSA-N 0 3 193.290 2.902 20 0 AFADHN CC[C@]1(C)CCN(Cc2ccco2)C1 678285509 486931409 /nfs/dbraw/zinc/93/14/09/486931409.db2.gz JUIKPBWSIRKUER-GFCCVEGCSA-N 0 3 193.290 2.902 20 0 AFADHN C[C@@H](N(C)Cc1ccco1)C1(C)CC1 678334026 486932190 /nfs/dbraw/zinc/93/21/90/486932190.db2.gz KQLYKGBBEWKRBZ-SNVBAGLBSA-N 0 3 193.290 2.900 20 0 AFADHN C[C@H](N(C)Cc1ccco1)C1(C)CC1 678334023 486932457 /nfs/dbraw/zinc/93/24/57/486932457.db2.gz KQLYKGBBEWKRBZ-JTQLQIEISA-N 0 3 193.290 2.900 20 0 AFADHN CC(C)C[C@@H](C)N1CCOC(C)(C)C1 678348997 486933506 /nfs/dbraw/zinc/93/35/06/486933506.db2.gz FLPOQOMWKQKBNM-LLVKDONJSA-N 0 3 199.338 2.532 20 0 AFADHN CC(C)C[C@H](C)N1CCOC(C)(C)C1 678348998 486933564 /nfs/dbraw/zinc/93/35/64/486933564.db2.gz FLPOQOMWKQKBNM-NSHDSACASA-N 0 3 199.338 2.532 20 0 AFADHN Cc1ccoc1CN(C)CCC1CC1 678339065 486933612 /nfs/dbraw/zinc/93/36/12/486933612.db2.gz LVZDLUKAJAJCBW-UHFFFAOYSA-N 0 3 193.290 2.820 20 0 AFADHN CC[C@@H]1CN([C@H](C)CC(C)C)CCO1 678349324 486934177 /nfs/dbraw/zinc/93/41/77/486934177.db2.gz IZKVHCPUGXCLHD-VXGBXAGGSA-N 0 3 199.338 2.532 20 0 AFADHN CC(C)C[C@@H](C)N1C[C@H](C)O[C@H](C)C1 678349574 486934640 /nfs/dbraw/zinc/93/46/40/486934640.db2.gz LLSVZEIMHDJPEN-UTUOFQBUSA-N 0 3 199.338 2.530 20 0 AFADHN CC[C@H]1CN([C@H](C)CC(C)C)CCO1 678349321 486934675 /nfs/dbraw/zinc/93/46/75/486934675.db2.gz IZKVHCPUGXCLHD-NEPJUHHUSA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@@H]1CN([C@@H](C)CC(C)C)CCO1 678349322 486934794 /nfs/dbraw/zinc/93/47/94/486934794.db2.gz IZKVHCPUGXCLHD-NWDGAFQWSA-N 0 3 199.338 2.532 20 0 AFADHN CC(C)C[C@H](C)N1C[C@H](C)O[C@H](C)C1 678349572 486934809 /nfs/dbraw/zinc/93/48/09/486934809.db2.gz LLSVZEIMHDJPEN-SDDRHHMPSA-N 0 3 199.338 2.530 20 0 AFADHN CC[C@H]1CN([C@@H](C)CC(C)C)CCO1 678349323 486934909 /nfs/dbraw/zinc/93/49/09/486934909.db2.gz IZKVHCPUGXCLHD-RYUDHWBXSA-N 0 3 199.338 2.532 20 0 AFADHN CCCCN(C)Cc1ncccc1C 678518185 486938460 /nfs/dbraw/zinc/93/84/60/486938460.db2.gz ZHAHBXGYNYWNJN-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN CC[C@@H](C)N(C)Cc1ncccc1C 678524245 486938710 /nfs/dbraw/zinc/93/87/10/486938710.db2.gz SSUQBBYDQDYZIO-LLVKDONJSA-N 0 3 192.306 2.620 20 0 AFADHN CCCN(CC)Cc1ncccc1C 678515128 486938758 /nfs/dbraw/zinc/93/87/58/486938758.db2.gz SXGRVENVPFODSB-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN CC[C@H](C)N(C)Cc1ncccc1C 678524246 486938781 /nfs/dbraw/zinc/93/87/81/486938781.db2.gz SSUQBBYDQDYZIO-NSHDSACASA-N 0 3 192.306 2.620 20 0 AFADHN CCc1cc(N2CCCCC2)ccn1 138162793 486946451 /nfs/dbraw/zinc/94/64/51/486946451.db2.gz JEZNMRPCCXCXIW-UHFFFAOYSA-N 0 3 190.290 2.634 20 0 AFADHN Cc1ccc(CN2CC[C@@H]2C(C)C)o1 678852454 486947808 /nfs/dbraw/zinc/94/78/08/486947808.db2.gz ZLZLJLOJXZZZLQ-GFCCVEGCSA-N 0 3 193.290 2.818 20 0 AFADHN Cc1ccoc1CN1CC[C@@H]1C(C)C 678852433 486947835 /nfs/dbraw/zinc/94/78/35/486947835.db2.gz ZCVNNDBFSHMFDO-LLVKDONJSA-N 0 3 193.290 2.818 20 0 AFADHN Cc1ccc(CN2CC[C@H]2C(C)C)o1 678852455 486948018 /nfs/dbraw/zinc/94/80/18/486948018.db2.gz ZLZLJLOJXZZZLQ-LBPRGKRZSA-N 0 3 193.290 2.818 20 0 AFADHN Cc1ccoc1CN1CC[C@H]1C(C)C 678852434 486948509 /nfs/dbraw/zinc/94/85/09/486948509.db2.gz ZCVNNDBFSHMFDO-NSHDSACASA-N 0 3 193.290 2.818 20 0 AFADHN CCN(CC)Cc1ccsc1 144740309 486950309 /nfs/dbraw/zinc/95/03/09/486950309.db2.gz GDWYFXXXANSTFM-UHFFFAOYSA-N 0 3 169.293 2.590 20 0 AFADHN C[C@H](NC1(C)CCC1)c1ccccn1 679151180 486952231 /nfs/dbraw/zinc/95/22/31/486952231.db2.gz SZFRZMYHLJITBO-JTQLQIEISA-N 0 3 190.290 2.675 20 0 AFADHN C[C@@H](NC1(C)CCC1)c1ccccn1 679151181 486952653 /nfs/dbraw/zinc/95/26/53/486952653.db2.gz SZFRZMYHLJITBO-SNVBAGLBSA-N 0 3 190.290 2.675 20 0 AFADHN CCCCCN1CCO[C@H](C(C)C)C1 679220391 486954445 /nfs/dbraw/zinc/95/44/45/486954445.db2.gz KETILXAHASIUNL-LBPRGKRZSA-N 0 3 199.338 2.533 20 0 AFADHN CCCCCN1CCO[C@@H](C(C)C)C1 679220389 486954705 /nfs/dbraw/zinc/95/47/05/486954705.db2.gz KETILXAHASIUNL-GFCCVEGCSA-N 0 3 199.338 2.533 20 0 AFADHN Cc1cc(CN(C(C)C)C(C)C)on1 679320537 486957607 /nfs/dbraw/zinc/95/76/07/486957607.db2.gz UIGCBCOEFDBZGE-UHFFFAOYSA-N 0 3 196.294 2.602 20 0 AFADHN Cc1cccc(CN2CC=CCC2)c1 679323953 486958190 /nfs/dbraw/zinc/95/81/90/486958190.db2.gz WKFDLWABPBIGPS-UHFFFAOYSA-N 0 3 187.286 2.757 20 0 AFADHN CCCN[C@@H](C)c1ccncc1Cl 148696434 486959044 /nfs/dbraw/zinc/95/90/44/486959044.db2.gz ZRRDTTDTAMCBRM-QMMMGPOBSA-N 0 3 198.697 2.796 20 0 AFADHN CCCN[C@H](C)c1ccncc1Cl 148696628 486959512 /nfs/dbraw/zinc/95/95/12/486959512.db2.gz ZRRDTTDTAMCBRM-MRVPVSSYSA-N 0 3 198.697 2.796 20 0 AFADHN Cc1ccc(F)cc1CN(C)C1CC1 679329761 486960991 /nfs/dbraw/zinc/96/09/91/486960991.db2.gz WMFWESZFTHCDPS-UHFFFAOYSA-N 0 3 193.265 2.728 20 0 AFADHN CCN(Cc1ccc(F)cc1)C1CC1 679626275 486965650 /nfs/dbraw/zinc/96/56/50/486965650.db2.gz NFCIMJHGNFIMBE-UHFFFAOYSA-N 0 3 193.265 2.810 20 0 AFADHN CCNCc1ccc(C)cc1Cl 161074914 486978578 /nfs/dbraw/zinc/97/85/78/486978578.db2.gz UGPXOJVKWJSTAC-UHFFFAOYSA-N 0 3 183.682 2.758 20 0 AFADHN CC[C@H](C)CCNCc1ccco1 164341776 486987763 /nfs/dbraw/zinc/98/77/63/486987763.db2.gz AOPYFWJZUITDQA-JTQLQIEISA-N 0 3 181.279 2.805 20 0 AFADHN CC[C@@H](C)CCNCc1ccco1 164341643 486987782 /nfs/dbraw/zinc/98/77/82/486987782.db2.gz AOPYFWJZUITDQA-SNVBAGLBSA-N 0 3 181.279 2.805 20 0 AFADHN CCCN(CC)Cc1ccc(C)nc1 680928876 487001267 /nfs/dbraw/zinc/00/12/67/487001267.db2.gz CXCSDHDPXKBQAT-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN CC[C@H](C)N(C)Cc1ccc(C)nc1 680931049 487001272 /nfs/dbraw/zinc/00/12/72/487001272.db2.gz IRNLIUMXACNORA-NSHDSACASA-N 0 3 192.306 2.620 20 0 AFADHN CC[C@@H](C)N(C)Cc1ccc(C)nc1 680931048 487001454 /nfs/dbraw/zinc/00/14/54/487001454.db2.gz IRNLIUMXACNORA-LLVKDONJSA-N 0 3 192.306 2.620 20 0 AFADHN Cc1cccc(CN2CCCC2)c1F 168416265 487002085 /nfs/dbraw/zinc/00/20/85/487002085.db2.gz OQJPMPOYECLQFZ-UHFFFAOYSA-N 0 3 193.265 2.730 20 0 AFADHN CCC(CC)CN1CCC=C(F)C1 681163920 487011474 /nfs/dbraw/zinc/01/14/74/487011474.db2.gz BDDKAYNZAZWLOI-UHFFFAOYSA-N 0 3 185.286 2.982 20 0 AFADHN FC1=CCCN(C[C@H]2CC=CCC2)C1 681166492 487011742 /nfs/dbraw/zinc/01/17/42/487011742.db2.gz XEDSQAGWUNRVBU-NSHDSACASA-N 0 3 195.281 2.902 20 0 AFADHN FC1=CCCN(C[C@@H]2CC=CCC2)C1 681166491 487011761 /nfs/dbraw/zinc/01/17/61/487011761.db2.gz XEDSQAGWUNRVBU-LLVKDONJSA-N 0 3 195.281 2.902 20 0 AFADHN CC(C)(C)CCN1CCC[C@H](F)C1 201949307 487017681 /nfs/dbraw/zinc/01/76/81/487017681.db2.gz XLTNJQUJGDNFFR-JTQLQIEISA-N 0 3 187.302 2.857 20 0 AFADHN CC(C)CCCN1CCC[C@@H](F)C1 200100020 487016297 /nfs/dbraw/zinc/01/62/97/487016297.db2.gz XKJCGFAVVKDLMT-LLVKDONJSA-N 0 3 187.302 2.857 20 0 AFADHN CC(C)CCCN1CCC[C@H](F)C1 200099984 487016308 /nfs/dbraw/zinc/01/63/08/487016308.db2.gz XKJCGFAVVKDLMT-NSHDSACASA-N 0 3 187.302 2.857 20 0 AFADHN CC(C)(C)CCN1CCC[C@@H](F)C1 201949340 487017760 /nfs/dbraw/zinc/01/77/60/487017760.db2.gz XLTNJQUJGDNFFR-SNVBAGLBSA-N 0 3 187.302 2.857 20 0 AFADHN CCC1CN(Cc2ccccc2)C1 205536471 487020311 /nfs/dbraw/zinc/02/03/11/487020311.db2.gz ULKXYIZRAOJSAZ-UHFFFAOYSA-N 0 3 175.275 2.528 20 0 AFADHN CCN1CCc2c(C)cc(C)cc2C1 681601880 487027590 /nfs/dbraw/zinc/02/75/90/487027590.db2.gz OSXCPTROJYONKR-UHFFFAOYSA-N 0 3 189.302 2.681 20 0 AFADHN CCC[C@H](C)N1C[C@H](CC)O[C@H](C)C1 681687693 487030661 /nfs/dbraw/zinc/03/06/61/487030661.db2.gz NGSVNQZRKSJSHI-TUAOUCFPSA-N 0 3 199.338 2.674 20 0 AFADHN CCC[C@H](C)N1C[C@H](C)O[C@H](CC)C1 681687690 487031141 /nfs/dbraw/zinc/03/11/41/487031141.db2.gz NGSVNQZRKSJSHI-SDDRHHMPSA-N 0 3 199.338 2.674 20 0 AFADHN Cc1occc1CN(C)[C@H](C)C1CC1 681682720 487031152 /nfs/dbraw/zinc/03/11/52/487031152.db2.gz OCHNLWMNSYIIBC-SECBINFHSA-N 0 3 193.290 2.818 20 0 AFADHN CCC[C@H](C)N1C[C@H](C)O[C@@H](CC)C1 681687691 487031266 /nfs/dbraw/zinc/03/12/66/487031266.db2.gz NGSVNQZRKSJSHI-SRVKXCTJSA-N 0 3 199.338 2.674 20 0 AFADHN CCC[C@H](C)N1C[C@@H](C)O[C@H](CC)C1 681687688 487031428 /nfs/dbraw/zinc/03/14/28/487031428.db2.gz NGSVNQZRKSJSHI-QJPTWQEYSA-N 0 3 199.338 2.674 20 0 AFADHN Cc1occc1CN(C)[C@@H](C)C1CC1 681682721 487031514 /nfs/dbraw/zinc/03/15/14/487031514.db2.gz OCHNLWMNSYIIBC-VIFPVBQESA-N 0 3 193.290 2.818 20 0 AFADHN CCC[C@H](C)N1CCO[C@H](C(C)C)C1 682077808 487044194 /nfs/dbraw/zinc/04/41/94/487044194.db2.gz QXYSDQLJVICVLF-RYUDHWBXSA-N 0 3 199.338 2.532 20 0 AFADHN CC(C)CCCN1C[C@@H](C)OC[C@@H]1C 682151672 487048179 /nfs/dbraw/zinc/04/81/79/487048179.db2.gz MZNUDKUEIGYTGP-NWDGAFQWSA-N 0 3 199.338 2.532 20 0 AFADHN CCC[C@H](C)N1CCO[C@@H](C(C)C)C1 682077807 487044566 /nfs/dbraw/zinc/04/45/66/487044566.db2.gz QXYSDQLJVICVLF-NWDGAFQWSA-N 0 3 199.338 2.532 20 0 AFADHN CCC[C@@H](C)N1CCO[C@@H](C(C)C)C1 682077809 487044583 /nfs/dbraw/zinc/04/45/83/487044583.db2.gz QXYSDQLJVICVLF-VXGBXAGGSA-N 0 3 199.338 2.532 20 0 AFADHN CCC[C@@H](C)N1CCO[C@H](C(C)C)C1 682077806 487044690 /nfs/dbraw/zinc/04/46/90/487044690.db2.gz QXYSDQLJVICVLF-NEPJUHHUSA-N 0 3 199.338 2.532 20 0 AFADHN CCc1ccccc1CN(C)C1CC1 682084138 487045685 /nfs/dbraw/zinc/04/56/85/487045685.db2.gz BVIDZSKCECJPAO-UHFFFAOYSA-N 0 3 189.302 2.843 20 0 AFADHN CC[C@H]1CN(CCCC(C)C)CCO1 682150493 487046742 /nfs/dbraw/zinc/04/67/42/487046742.db2.gz HOSBGYMIBKVRGS-LBPRGKRZSA-N 0 3 199.338 2.533 20 0 AFADHN CC[C@H]1COCCN1CCCC(C)C 682150742 487046966 /nfs/dbraw/zinc/04/69/66/487046966.db2.gz FQALCCPUMFJXEK-LBPRGKRZSA-N 0 3 199.338 2.533 20 0 AFADHN CC[C@@H]1COCCN1CCCC(C)C 682150740 487046984 /nfs/dbraw/zinc/04/69/84/487046984.db2.gz FQALCCPUMFJXEK-GFCCVEGCSA-N 0 3 199.338 2.533 20 0 AFADHN CC[C@@H]1CN(CCCC(C)C)CCO1 682150489 487047096 /nfs/dbraw/zinc/04/70/96/487047096.db2.gz HOSBGYMIBKVRGS-GFCCVEGCSA-N 0 3 199.338 2.533 20 0 AFADHN CC(C)CCCN1CCOCC1(C)C 682151016 487047257 /nfs/dbraw/zinc/04/72/57/487047257.db2.gz FXZDQKPMYFEZPY-UHFFFAOYSA-N 0 3 199.338 2.533 20 0 AFADHN CC(C)CCCN1C[C@H](C)OC[C@H]1C 682151669 487047741 /nfs/dbraw/zinc/04/77/41/487047741.db2.gz MZNUDKUEIGYTGP-NEPJUHHUSA-N 0 3 199.338 2.532 20 0 AFADHN CC(C)CCCN1C[C@H](C)OC[C@@H]1C 682151673 487047771 /nfs/dbraw/zinc/04/77/71/487047771.db2.gz MZNUDKUEIGYTGP-RYUDHWBXSA-N 0 3 199.338 2.532 20 0 AFADHN CC(C)CCCN1CCOC(C)(C)C1 682152441 487048003 /nfs/dbraw/zinc/04/80/03/487048003.db2.gz UDTSOMVFKUDENF-UHFFFAOYSA-N 0 3 199.338 2.533 20 0 AFADHN CC(C)CCCN1C[C@@H](C)OC[C@H]1C 682151675 487048088 /nfs/dbraw/zinc/04/80/88/487048088.db2.gz MZNUDKUEIGYTGP-VXGBXAGGSA-N 0 3 199.338 2.532 20 0 AFADHN CC(C)CCCN1CCO[C@@H](C)[C@H]1C 682155311 487048605 /nfs/dbraw/zinc/04/86/05/487048605.db2.gz UFSBLUZJPMISSC-NEPJUHHUSA-N 0 3 199.338 2.532 20 0 AFADHN CC(C)CCCN1CCO[C@@H](C)[C@@H]1C 682155314 487048744 /nfs/dbraw/zinc/04/87/44/487048744.db2.gz UFSBLUZJPMISSC-RYUDHWBXSA-N 0 3 199.338 2.532 20 0 AFADHN CC(C)CCCN1CCO[C@H](C)[C@H]1C 682155316 487048776 /nfs/dbraw/zinc/04/87/76/487048776.db2.gz UFSBLUZJPMISSC-VXGBXAGGSA-N 0 3 199.338 2.532 20 0 AFADHN CC(C)CCCN1CCO[C@H](C)[C@@H]1C 682155313 487049476 /nfs/dbraw/zinc/04/94/76/487049476.db2.gz UFSBLUZJPMISSC-NWDGAFQWSA-N 0 3 199.338 2.532 20 0 AFADHN CC[C@]1(C)CN(CCC(C)C)CCO1 682369493 487053706 /nfs/dbraw/zinc/05/37/06/487053706.db2.gz SZPJSLZEIFXGPX-GFCCVEGCSA-N 0 3 199.338 2.533 20 0 AFADHN CC[C@@H](C)N(C)Cc1cncc(C)c1 682368476 487053719 /nfs/dbraw/zinc/05/37/19/487053719.db2.gz SQPCOKXHZOBJBY-LLVKDONJSA-N 0 3 192.306 2.620 20 0 AFADHN CC[C@H](C)CN1CCO[C@@](C)(CC)C1 682369534 487053774 /nfs/dbraw/zinc/05/37/74/487053774.db2.gz VVSYJUIBGCJCQU-RYUDHWBXSA-N 0 3 199.338 2.533 20 0 AFADHN CC[C@@H](C)CN1CCO[C@](C)(CC)C1 682369535 487053875 /nfs/dbraw/zinc/05/38/75/487053875.db2.gz VVSYJUIBGCJCQU-VXGBXAGGSA-N 0 3 199.338 2.533 20 0 AFADHN CCCCCN1CCO[C@](C)(CC)C1 682368921 487054193 /nfs/dbraw/zinc/05/41/93/487054193.db2.gz MCOIYTIUYDXKSN-GFCCVEGCSA-N 0 3 199.338 2.678 20 0 AFADHN CCCCN(C)Cc1cncc(C)c1 682366554 487054210 /nfs/dbraw/zinc/05/42/10/487054210.db2.gz NBUMUYFXVDOFGG-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN CCCCCN1CCO[C@@](C)(CC)C1 682368922 487054269 /nfs/dbraw/zinc/05/42/69/487054269.db2.gz MCOIYTIUYDXKSN-LBPRGKRZSA-N 0 3 199.338 2.678 20 0 AFADHN CCCN(CC)Cc1cncc(C)c1 682367560 487054330 /nfs/dbraw/zinc/05/43/30/487054330.db2.gz RJIMFZBYZNLFSG-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN CC[C@@H](C)CN1CCO[C@@](C)(CC)C1 682369532 487054361 /nfs/dbraw/zinc/05/43/61/487054361.db2.gz VVSYJUIBGCJCQU-NEPJUHHUSA-N 0 3 199.338 2.533 20 0 AFADHN CC[C@H](C)N(C)Cc1cncc(C)c1 682368477 487054386 /nfs/dbraw/zinc/05/43/86/487054386.db2.gz SQPCOKXHZOBJBY-NSHDSACASA-N 0 3 192.306 2.620 20 0 AFADHN CC[C@H](C)CN1CCO[C@](C)(CC)C1 682369533 487054548 /nfs/dbraw/zinc/05/45/48/487054548.db2.gz VVSYJUIBGCJCQU-NWDGAFQWSA-N 0 3 199.338 2.533 20 0 AFADHN CC[C@@]1(C)CN(CCC(C)C)CCO1 682369494 487054561 /nfs/dbraw/zinc/05/45/61/487054561.db2.gz SZPJSLZEIFXGPX-LBPRGKRZSA-N 0 3 199.338 2.533 20 0 AFADHN CCc1cccc(CN(C)C2CC2)c1 682518198 487061866 /nfs/dbraw/zinc/06/18/66/487061866.db2.gz TZDZRBUDQBMAAV-UHFFFAOYSA-N 0 3 189.302 2.843 20 0 AFADHN CCN(Cc1ccoc1)C[C@@H]1C[C@H]1C 682672777 487064936 /nfs/dbraw/zinc/06/49/36/487064936.db2.gz HVQBFYRQRYSKPG-PWSUYJOCSA-N 0 3 193.290 2.758 20 0 AFADHN CCN(Cc1ccoc1)C[C@H]1C[C@@H]1C 682672775 487065190 /nfs/dbraw/zinc/06/51/90/487065190.db2.gz HVQBFYRQRYSKPG-CMPLNLGQSA-N 0 3 193.290 2.758 20 0 AFADHN CCN(Cc1ccoc1)C[C@@H]1C[C@@H]1C 682672776 487065071 /nfs/dbraw/zinc/06/50/71/487065071.db2.gz HVQBFYRQRYSKPG-JQWIXIFHSA-N 0 3 193.290 2.758 20 0 AFADHN CCN(Cc1ccoc1)C[C@H]1C[C@H]1C 682672778 487065418 /nfs/dbraw/zinc/06/54/18/487065418.db2.gz HVQBFYRQRYSKPG-ZYHUDNBSSA-N 0 3 193.290 2.758 20 0 AFADHN CC[C@@H](C)CNCc1occc1C 229477737 487066285 /nfs/dbraw/zinc/06/62/85/487066285.db2.gz MVXXNUKYIHLMFC-SECBINFHSA-N 0 3 181.279 2.724 20 0 AFADHN CC[C@H](C)CNCc1occc1C 229477745 487066688 /nfs/dbraw/zinc/06/66/88/487066688.db2.gz MVXXNUKYIHLMFC-VIFPVBQESA-N 0 3 181.279 2.724 20 0 AFADHN CCCN(CC)Cc1cc(C)ccn1 683003584 487077555 /nfs/dbraw/zinc/07/75/55/487077555.db2.gz DNPDSANUSNTGKW-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN CC[C@H](C)N(C)Cc1cc(C)ccn1 683016427 487077914 /nfs/dbraw/zinc/07/79/14/487077914.db2.gz ZMSAAVAYVZNPKO-NSHDSACASA-N 0 3 192.306 2.620 20 0 AFADHN CC[C@@H](C)N(C)Cc1cc(C)ccn1 683016425 487077991 /nfs/dbraw/zinc/07/79/91/487077991.db2.gz ZMSAAVAYVZNPKO-LLVKDONJSA-N 0 3 192.306 2.620 20 0 AFADHN CCCCN(C)Cc1cc(C)ccn1 683001786 487078053 /nfs/dbraw/zinc/07/80/53/487078053.db2.gz YIQGKHDAAFMMFI-UHFFFAOYSA-N 0 3 192.306 2.622 20 0 AFADHN CCCCCN1CC(C)(C)OC[C@@H]1C 683102324 487079297 /nfs/dbraw/zinc/07/92/97/487079297.db2.gz UTWZXPQRQGNNEF-NSHDSACASA-N 0 3 199.338 2.676 20 0 AFADHN CC(C)CCN1CC(C)(C)OC[C@@H]1C 683102433 487079361 /nfs/dbraw/zinc/07/93/61/487079361.db2.gz ZQLMZPYTAZLVNG-NSHDSACASA-N 0 3 199.338 2.532 20 0 AFADHN CCCC[C@H](CC)NCc1ccno1 231882210 487079585 /nfs/dbraw/zinc/07/95/85/487079585.db2.gz RYBHPAMEAWGGDD-JTQLQIEISA-N 0 3 196.294 2.733 20 0 AFADHN CCCC[C@@H](CC)NCc1ccno1 231882209 487079772 /nfs/dbraw/zinc/07/97/72/487079772.db2.gz RYBHPAMEAWGGDD-SNVBAGLBSA-N 0 3 196.294 2.733 20 0 AFADHN CCCC(CCC)NCc1ccno1 231885305 487080076 /nfs/dbraw/zinc/08/00/76/487080076.db2.gz QZSBUNTUNSUCHQ-UHFFFAOYSA-N 0 3 196.294 2.733 20 0 AFADHN C[C@@H]1C[C@@H]1CN(C)[C@H](C)c1ccco1 683108859 487081051 /nfs/dbraw/zinc/08/10/51/487081051.db2.gz FTKAGUVNYZHISV-GMTAPVOTSA-N 0 3 193.290 2.928 20 0 AFADHN C[C@@H]1C[C@H]1CN(C)[C@H](C)c1ccco1 683108860 487081211 /nfs/dbraw/zinc/08/12/11/487081211.db2.gz FTKAGUVNYZHISV-MXWKQRLJSA-N 0 3 193.290 2.928 20 0 AFADHN C[C@@H](c1ccco1)N(C)C[C@H]1C[C@H]1C 683108861 487081345 /nfs/dbraw/zinc/08/13/45/487081345.db2.gz FTKAGUVNYZHISV-OUAUKWLOSA-N 0 3 193.290 2.928 20 0 AFADHN C[C@@H](c1ccco1)N(C)C[C@@H]1C[C@H]1C 683108862 487081361 /nfs/dbraw/zinc/08/13/61/487081361.db2.gz FTKAGUVNYZHISV-VWYCJHECSA-N 0 3 193.290 2.928 20 0 AFADHN C[C@@H]1COCCN1CCCC(C)(C)C 683527727 487092232 /nfs/dbraw/zinc/09/22/32/487092232.db2.gz KUIGRBVMJOOJDI-LLVKDONJSA-N 0 3 199.338 2.533 20 0 AFADHN CCN(Cc1ccoc1)CC1(C)CC1 683830430 487099894 /nfs/dbraw/zinc/09/98/94/487099894.db2.gz VLBLGKWSQJTHGJ-UHFFFAOYSA-N 0 3 193.290 2.902 20 0 AFADHN Cc1occc1CN(C)CC1(C)CC1 683827143 487100102 /nfs/dbraw/zinc/10/01/02/487100102.db2.gz MREOEWJZNOTJLU-UHFFFAOYSA-N 0 3 193.290 2.820 20 0 AFADHN CC1(CN2Cc3ccccc3C2)CC1 683828736 487100544 /nfs/dbraw/zinc/10/05/44/487100544.db2.gz HLCNZNUTGJEHGB-UHFFFAOYSA-N 0 3 187.286 2.802 20 0 AFADHN CCCCN1CCO[C@H](C(C)(C)C)C1 684103727 487107632 /nfs/dbraw/zinc/10/76/32/487107632.db2.gz SZFWTWDLAJJPDZ-NSHDSACASA-N 0 3 199.338 2.533 20 0 AFADHN CCCCN1CCO[C@@H](C(C)(C)C)C1 684103726 487107874 /nfs/dbraw/zinc/10/78/74/487107874.db2.gz SZFWTWDLAJJPDZ-LLVKDONJSA-N 0 3 199.338 2.533 20 0 AFADHN Cc1ccoc1CN1CC(C(C)C)C1 684408465 487121121 /nfs/dbraw/zinc/12/11/21/487121121.db2.gz PUVVBGJFVQOUKI-UHFFFAOYSA-N 0 3 193.290 2.676 20 0 AFADHN CC1=C(C)CN(Cc2ccco2)CC1 684614408 487126074 /nfs/dbraw/zinc/12/60/74/487126074.db2.gz JIJKUVMHNOHDOJ-UHFFFAOYSA-N 0 3 191.274 2.822 20 0 AFADHN CC1=CCCN(Cc2ccc(C)o2)C1 684800370 487132972 /nfs/dbraw/zinc/13/29/72/487132972.db2.gz PXZIYSAFHXIEIP-UHFFFAOYSA-N 0 3 191.274 2.740 20 0 AFADHN CCNCc1nc(C2CCC2)cs1 259324879 487138562 /nfs/dbraw/zinc/13/85/62/487138562.db2.gz RQYXMWIXURMLAB-UHFFFAOYSA-N 0 3 196.319 2.520 20 0 AFADHN CCCC[C@@H](C)N(C)Cc1ccno1 685612065 487148635 /nfs/dbraw/zinc/14/86/35/487148635.db2.gz ZOOLOTCVYBQVED-SNVBAGLBSA-N 0 3 196.294 2.685 20 0 AFADHN CCCC[C@H](C)N(C)Cc1ccno1 685612064 487148722 /nfs/dbraw/zinc/14/87/22/487148722.db2.gz ZOOLOTCVYBQVED-JTQLQIEISA-N 0 3 196.294 2.685 20 0 AFADHN c1coc(CN[C@H]2CCC[C@@H]3C[C@H]23)c1 306365897 487154607 /nfs/dbraw/zinc/15/46/07/487154607.db2.gz AZTXRZSLMKRGGC-USWWRNFRSA-N 0 3 191.274 2.558 20 0 AFADHN Cc1ccoc1CNC1CC(C)(C)C1 306635438 487162999 /nfs/dbraw/zinc/16/29/99/487162999.db2.gz ZTTNODALEBZOGM-UHFFFAOYSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccc(CNC2CC(C)(C)C2)o1 307240263 487176911 /nfs/dbraw/zinc/17/69/11/487176911.db2.gz GVXMVQSPKPZFCW-UHFFFAOYSA-N 0 3 193.290 2.866 20 0 AFADHN c1coc(CN[C@H]2CCC[C@H]3C[C@H]32)c1 307508620 487182641 /nfs/dbraw/zinc/18/26/41/487182641.db2.gz AZTXRZSLMKRGGC-WCQGTBRESA-N 0 3 191.274 2.558 20 0 AFADHN Cc1cc([C@@H](C)NCCC(C)C)no1 308550250 487203379 /nfs/dbraw/zinc/20/33/79/487203379.db2.gz XEXMOASLSSGOEE-SNVBAGLBSA-N 0 3 196.294 2.680 20 0 AFADHN CCC(CC)N[C@H](C)c1cc(C)on1 308608157 487205615 /nfs/dbraw/zinc/20/56/15/487205615.db2.gz PXKQIGFMCKBEQO-SECBINFHSA-N 0 3 196.294 2.822 20 0 AFADHN CCC(CC)N[C@@H](C)c1cc(C)on1 308608158 487205623 /nfs/dbraw/zinc/20/56/23/487205623.db2.gz PXKQIGFMCKBEQO-VIFPVBQESA-N 0 3 196.294 2.822 20 0 AFADHN CC[C@@H](C)NCc1ccc(C)c(C)n1 314831290 487208367 /nfs/dbraw/zinc/20/83/67/487208367.db2.gz SETYHGCDJLTREM-SNVBAGLBSA-N 0 3 192.306 2.587 20 0 AFADHN CC[C@H](C)NCc1ccc(C)c(C)n1 314831288 487208460 /nfs/dbraw/zinc/20/84/60/487208460.db2.gz SETYHGCDJLTREM-JTQLQIEISA-N 0 3 192.306 2.587 20 0 AFADHN CCC1(CNCc2ccoc2C)CC1 320924178 487210337 /nfs/dbraw/zinc/21/03/37/487210337.db2.gz KJVRKPQLGONLKB-UHFFFAOYSA-N 0 3 193.290 2.868 20 0 AFADHN Cc1occc1CNCCCC1CC1 320982807 487210540 /nfs/dbraw/zinc/21/05/40/487210540.db2.gz PYIKBRUMDAWNSG-UHFFFAOYSA-N 0 3 193.290 2.868 20 0 AFADHN Cc1occc1CNC1(C(C)C)CC1 321190930 487212914 /nfs/dbraw/zinc/21/29/14/487212914.db2.gz FZWIFOHRNHGHKD-UHFFFAOYSA-N 0 3 193.290 2.866 20 0 AFADHN CCC1(NCc2ccoc2C)CC1 321236919 487213307 /nfs/dbraw/zinc/21/33/07/487213307.db2.gz MINJOBLYVDKCEG-UHFFFAOYSA-N 0 3 179.263 2.620 20 0 AFADHN CCC[C@@H](C)N[C@H](C)c1cc(C)on1 379569186 487245177 /nfs/dbraw/zinc/24/51/77/487245177.db2.gz AOGUGTFJMBAPRW-PSASIEDQSA-N 0 3 196.294 2.822 20 0 AFADHN CCC[C@H](C)N[C@H](C)c1cc(C)on1 379569192 487245215 /nfs/dbraw/zinc/24/52/15/487245215.db2.gz AOGUGTFJMBAPRW-WCBMZHEXSA-N 0 3 196.294 2.822 20 0 AFADHN Cc1cc([C@H](C)NCCC(C)C)no1 379613929 487246229 /nfs/dbraw/zinc/24/62/29/487246229.db2.gz XEXMOASLSSGOEE-JTQLQIEISA-N 0 3 196.294 2.680 20 0 AFADHN Cc1cc([C@@H](C)NCCCF)oc1C 379599570 487246534 /nfs/dbraw/zinc/24/65/34/487246534.db2.gz JSBDRUTTXIMLNL-SECBINFHSA-N 0 3 199.269 2.907 20 0 AFADHN CCC[C@@H](C)N[C@@H](C)c1cc(C)on1 379617392 487246587 /nfs/dbraw/zinc/24/65/87/487246587.db2.gz AOGUGTFJMBAPRW-SCZZXKLOSA-N 0 3 196.294 2.822 20 0 AFADHN CCC[C@H](C)N[C@@H](C)c1cc(C)on1 379617397 487246593 /nfs/dbraw/zinc/24/65/93/487246593.db2.gz AOGUGTFJMBAPRW-WPRPVWTQSA-N 0 3 196.294 2.822 20 0 AFADHN Cc1cc([C@H](C)NCCCF)oc1C 379599571 487246635 /nfs/dbraw/zinc/24/66/35/487246635.db2.gz JSBDRUTTXIMLNL-VIFPVBQESA-N 0 3 199.269 2.907 20 0 AFADHN Cc1cc([C@H](C)NCC2CC2)oc1C 379663701 487247401 /nfs/dbraw/zinc/24/74/01/487247401.db2.gz SYWNIPUYSVPOTC-VIFPVBQESA-N 0 3 193.290 2.957 20 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/nfs/dbraw/zinc/25/55/73/487255573.db2.gz BINGFEGLPKOMIE-ZYHUDNBSSA-N 0 3 193.290 2.804 20 0 AFADHN CC[C@@H]1C[C@H]1CN[C@H](C)c1ccco1 387746598 487257715 /nfs/dbraw/zinc/25/77/15/487257715.db2.gz XVTMANIVSPDUKP-MXWKQRLJSA-N 0 3 193.290 2.976 20 0 AFADHN CC[C@@H]1C[C@H]1CN[C@@H](C)c1ccco1 387746578 487258146 /nfs/dbraw/zinc/25/81/46/487258146.db2.gz XVTMANIVSPDUKP-AXFHLTTASA-N 0 3 193.290 2.976 20 0 AFADHN CC[C@H](C)CCNCc1nccs1 394415760 487269678 /nfs/dbraw/zinc/26/96/78/487269678.db2.gz UDQSTQBYVMBAKK-VIFPVBQESA-N 0 3 198.335 2.669 20 0 AFADHN CC[C@@H](C)CCNCc1nccs1 394415759 487269706 /nfs/dbraw/zinc/26/97/06/487269706.db2.gz UDQSTQBYVMBAKK-SECBINFHSA-N 0 3 198.335 2.669 20 0 AFADHN CC[C@@H](C)CCNCc1ccccn1 394467005 487270311 /nfs/dbraw/zinc/27/03/11/487270311.db2.gz XEPOFRLPDUBYIK-LLVKDONJSA-N 0 3 192.306 2.607 20 0 AFADHN CC[C@H](C)CCNCc1cscn1 394453528 487270549 /nfs/dbraw/zinc/27/05/49/487270549.db2.gz MJVFVYVFRQFNPV-VIFPVBQESA-N 0 3 198.335 2.669 20 0 AFADHN CC[C@H](C)CCNCc1cncs1 394466014 487270680 /nfs/dbraw/zinc/27/06/80/487270680.db2.gz XEAYJJDQDLOYBV-VIFPVBQESA-N 0 3 198.335 2.669 20 0 AFADHN CC[C@@H](C)CCNCc1cscn1 394453526 487270713 /nfs/dbraw/zinc/27/07/13/487270713.db2.gz MJVFVYVFRQFNPV-SECBINFHSA-N 0 3 198.335 2.669 20 0 AFADHN CC[C@@H](C)CCNCc1cncs1 394466012 487270796 /nfs/dbraw/zinc/27/07/96/487270796.db2.gz XEAYJJDQDLOYBV-SECBINFHSA-N 0 3 198.335 2.669 20 0 AFADHN CC[C@H](C)CCNCc1ccccn1 394467007 487271166 /nfs/dbraw/zinc/27/11/66/487271166.db2.gz XEPOFRLPDUBYIK-NSHDSACASA-N 0 3 192.306 2.607 20 0 AFADHN Cc1ncc(CNCCCC(C)C)o1 397893919 487280477 /nfs/dbraw/zinc/28/04/77/487280477.db2.gz SXBOKYIAUFKVIZ-UHFFFAOYSA-N 0 3 196.294 2.509 20 0 AFADHN CCC(CC)CNCc1cnc(C)o1 397951079 487281240 /nfs/dbraw/zinc/28/12/40/487281240.db2.gz PHLMVTZZRYPKSC-UHFFFAOYSA-N 0 3 196.294 2.509 20 0 AFADHN CCC[C@H](CC)NCc1cnc(C)o1 397956383 487281304 /nfs/dbraw/zinc/28/13/04/487281304.db2.gz RVAUHGHLNJFGGR-JTQLQIEISA-N 0 3 196.294 2.651 20 0 AFADHN CC[C@H](C)[C@@H](C)NCc1cnc(C)o1 397952792 487281535 /nfs/dbraw/zinc/28/15/35/487281535.db2.gz QDQIXAIMJSBVRR-DTWKUNHWSA-N 0 3 196.294 2.507 20 0 AFADHN CC[C@H](NCc1cnc(C)o1)C(C)C 397956427 487281591 /nfs/dbraw/zinc/28/15/91/487281591.db2.gz RWGKPICIGVGYOP-NSHDSACASA-N 0 3 196.294 2.507 20 0 AFADHN CCC[C@@H](CC)NCc1cnc(C)o1 397956384 487281602 /nfs/dbraw/zinc/28/16/02/487281602.db2.gz RVAUHGHLNJFGGR-SNVBAGLBSA-N 0 3 196.294 2.651 20 0 AFADHN CC[C@@H](C)[C@@H](C)NCc1cnc(C)o1 397952798 487281619 /nfs/dbraw/zinc/28/16/19/487281619.db2.gz QDQIXAIMJSBVRR-RKDXNWHRSA-N 0 3 196.294 2.507 20 0 AFADHN CCCC[C@H](C)NCc1cnc(C)o1 397910384 487281649 /nfs/dbraw/zinc/28/16/49/487281649.db2.gz CVMOXYHIBWKPMU-VIFPVBQESA-N 0 3 196.294 2.651 20 0 AFADHN Cc1ncc(CNCCC(C)(C)C)o1 397968186 487281759 /nfs/dbraw/zinc/28/17/59/487281759.db2.gz YYOHTUCDDFYCJJ-UHFFFAOYSA-N 0 3 196.294 2.509 20 0 AFADHN Cc1ncc(CN[C@@H](C)CC(C)C)o1 397954068 487281679 /nfs/dbraw/zinc/28/16/79/487281679.db2.gz QTBXLYMZCSDGPX-VIFPVBQESA-N 0 3 196.294 2.507 20 0 AFADHN CC[C@H](C)[C@H](C)NCc1cnc(C)o1 397952795 487281847 /nfs/dbraw/zinc/28/18/47/487281847.db2.gz QDQIXAIMJSBVRR-IUCAKERBSA-N 0 3 196.294 2.507 20 0 AFADHN Cc1ncc(CN[C@H](C)CC(C)C)o1 397954067 487281872 /nfs/dbraw/zinc/28/18/72/487281872.db2.gz QTBXLYMZCSDGPX-SECBINFHSA-N 0 3 196.294 2.507 20 0 AFADHN CCCC[C@@H](C)NCc1cnc(C)o1 397910382 487281898 /nfs/dbraw/zinc/28/18/98/487281898.db2.gz CVMOXYHIBWKPMU-SECBINFHSA-N 0 3 196.294 2.651 20 0 AFADHN CC[C@@H](NCc1cnc(C)o1)C(C)C 397956425 487281908 /nfs/dbraw/zinc/28/19/08/487281908.db2.gz RWGKPICIGVGYOP-LLVKDONJSA-N 0 3 196.294 2.507 20 0 AFADHN CC[C@@H](C)[C@H](C)NCc1cnc(C)o1 397952790 487281945 /nfs/dbraw/zinc/28/19/45/487281945.db2.gz QDQIXAIMJSBVRR-BDAKNGLRSA-N 0 3 196.294 2.507 20 0 AFADHN C1=C(CNCc2cccs2)CCC1 400880588 487288087 /nfs/dbraw/zinc/28/80/87/487288087.db2.gz QNRXHDHEMVKWJY-UHFFFAOYSA-N 0 3 193.315 2.948 20 0 AFADHN Cc1ccc(CNCC2=CCCC2)o1 401051554 487288428 /nfs/dbraw/zinc/28/84/28/487288428.db2.gz WSMKEPVDEDSHQG-UHFFFAOYSA-N 0 3 191.274 2.788 20 0 AFADHN Cc1ccoc1CNCC1=CCCC1 401052470 487288467 /nfs/dbraw/zinc/28/84/67/487288467.db2.gz XFJDSQJCPAEMEP-UHFFFAOYSA-N 0 3 191.274 2.788 20 0 AFADHN C1=C(CNCc2ccsc2)CCC1 401097735 487288759 /nfs/dbraw/zinc/28/87/59/487288759.db2.gz WXLDUTKUECORFK-UHFFFAOYSA-N 0 3 193.315 2.948 20 0 AFADHN Cc1occc1CN1C2CCC1CC2 666293640 487327277 /nfs/dbraw/zinc/32/72/77/487327277.db2.gz IZNNJOPEUGDQLX-UHFFFAOYSA-N 0 3 191.274 2.715 20 0 AFADHN Cc1ncc(CN[C@@H](C)C(C)(C)C)o1 666167151 487322815 /nfs/dbraw/zinc/32/28/15/487322815.db2.gz TVKOYGPAKNGAAZ-QMMMGPOBSA-N 0 3 196.294 2.507 20 0 AFADHN Cc1occc1CN1CCC[C@H](C)C1 666292610 487326216 /nfs/dbraw/zinc/32/62/16/487326216.db2.gz ZGVRBYGLUVOFMS-JTQLQIEISA-N 0 3 193.290 2.820 20 0 AFADHN Cc1occc1CN1CCCC[C@H]1C 666292608 487326281 /nfs/dbraw/zinc/32/62/81/487326281.db2.gz ZCNNEOLATQXDGP-SNVBAGLBSA-N 0 3 193.290 2.962 20 0 AFADHN Cc1occc1CN1CCCC[C@@H]1C 666292606 487326440 /nfs/dbraw/zinc/32/64/40/487326440.db2.gz ZCNNEOLATQXDGP-JTQLQIEISA-N 0 3 193.290 2.962 20 0 AFADHN Cc1occc1CN1CCC[C@@H](C)C1 666292611 487326547 /nfs/dbraw/zinc/32/65/47/487326547.db2.gz ZGVRBYGLUVOFMS-SNVBAGLBSA-N 0 3 193.290 2.820 20 0 AFADHN CCCN(CC)Cc1ccoc1C 666292466 487326563 /nfs/dbraw/zinc/32/65/63/487326563.db2.gz CYDZKPMHQRXJSD-UHFFFAOYSA-N 0 3 181.279 2.820 20 0 AFADHN Cc1occc1CNC1(C2CC2)CC1 666288270 487326573 /nfs/dbraw/zinc/32/65/73/487326573.db2.gz GNLOYHJEPMDNBQ-UHFFFAOYSA-N 0 3 191.274 2.620 20 0 AFADHN Cc1occc1CN1CCC(C)CC1 666292590 487326614 /nfs/dbraw/zinc/32/66/14/487326614.db2.gz WOTCJTHHGFSQHS-UHFFFAOYSA-N 0 3 193.290 2.820 20 0 AFADHN Cc1occc1CN1CC[C@H]1C(C)C 666322940 487327177 /nfs/dbraw/zinc/32/71/77/487327177.db2.gz UVWLSDNYTTYMAC-LBPRGKRZSA-N 0 3 193.290 2.818 20 0 AFADHN CCN(Cc1ccoc1C)C1CCC1 666315199 487326920 /nfs/dbraw/zinc/32/69/20/487326920.db2.gz FVKROOQQNNZNGA-UHFFFAOYSA-N 0 3 193.290 2.962 20 0 AFADHN CCN(Cc1ccoc1C)CC1CC1 666312839 487326980 /nfs/dbraw/zinc/32/69/80/487326980.db2.gz AUZNIAQPAGBRGE-UHFFFAOYSA-N 0 3 193.290 2.820 20 0 AFADHN CCN(Cc1ccoc1C)C1CC1 666295165 487327119 /nfs/dbraw/zinc/32/71/19/487327119.db2.gz ZAIZYAQNUWWJMT-UHFFFAOYSA-N 0 3 179.263 2.572 20 0 AFADHN Cc1occc1CN1CCC(C)(C)C1 666310183 487327388 /nfs/dbraw/zinc/32/73/88/487327388.db2.gz YVRWDVYINUMWES-UHFFFAOYSA-N 0 3 193.290 2.820 20 0 AFADHN CCCN(Cc1ccoc1C)C1CC1 666295161 487327410 /nfs/dbraw/zinc/32/74/10/487327410.db2.gz YSMRRPQMVJTCEF-UHFFFAOYSA-N 0 3 193.290 2.962 20 0 AFADHN Cc1occc1CN1CC[C@@H]1C(C)C 666322939 487327463 /nfs/dbraw/zinc/32/74/63/487327463.db2.gz UVWLSDNYTTYMAC-GFCCVEGCSA-N 0 3 193.290 2.818 20 0 AFADHN CC1=CCN(Cc2ccoc2C)CC1 666312871 487327477 /nfs/dbraw/zinc/32/74/77/487327477.db2.gz JTXKURZLUUCHDM-UHFFFAOYSA-N 0 3 191.274 2.740 20 0 AFADHN Cc1occc1CN(C(C)C)C1CC1 666295428 487327490 /nfs/dbraw/zinc/32/74/90/487327490.db2.gz ULOLHZHZXRISOK-UHFFFAOYSA-N 0 3 193.290 2.961 20 0 AFADHN Cc1occc1CN1CC(C(C)C)C1 666360652 487327621 /nfs/dbraw/zinc/32/76/21/487327621.db2.gz KQWWHYHTZUEQRJ-UHFFFAOYSA-N 0 3 193.290 2.676 20 0 AFADHN C[C@@H]1CC(C)(C)CN1Cc1ccco1 666455012 487330099 /nfs/dbraw/zinc/33/00/99/487330099.db2.gz NPTTXTVHDIWSNB-SNVBAGLBSA-N 0 3 193.290 2.900 20 0 AFADHN C[C@H]1CC(C)(C)CN1Cc1ccco1 666455011 487330557 /nfs/dbraw/zinc/33/05/57/487330557.db2.gz NPTTXTVHDIWSNB-JTQLQIEISA-N 0 3 193.290 2.900 20 0 AFADHN CN(Cc1ccco1)C[C@H]1CC1(C)C 668815353 487369261 /nfs/dbraw/zinc/36/92/61/487369261.db2.gz LJLWKGXZBJVJFM-SNVBAGLBSA-N 0 3 193.290 2.758 20 0 AFADHN CN(Cc1ccco1)C[C@@H]1CC1(C)C 668815352 487369271 /nfs/dbraw/zinc/36/92/71/487369271.db2.gz LJLWKGXZBJVJFM-JTQLQIEISA-N 0 3 193.290 2.758 20 0 AFADHN CC[C@@H](Cc1ccccc1)NCCF 393670206 582483578 /nfs/dbraw/zinc/48/35/78/582483578.db2.gz FEUYLHXQMVYMMB-LBPRGKRZSA-N 0 3 195.281 2.567 20 0 AFADHN C1=C[C@@H](NCc2ccsc2)CC1 829347004 582483653 /nfs/dbraw/zinc/48/36/53/582483653.db2.gz DZLGEJTUVGZYRL-SNVBAGLBSA-N 0 3 179.288 2.556 20 0 AFADHN C1=C[C@H](NCc2ccsc2)CC1 829347001 582483698 /nfs/dbraw/zinc/48/36/98/582483698.db2.gz DZLGEJTUVGZYRL-JTQLQIEISA-N 0 3 179.288 2.556 20 0 AFADHN CC[C@H](Cc1ccccc1)NCCF 393670204 582483711 /nfs/dbraw/zinc/48/37/11/582483711.db2.gz FEUYLHXQMVYMMB-GFCCVEGCSA-N 0 3 195.281 2.567 20 0 AFADHN CC1(C)CCN(Cc2ccsc2)C1 306509194 582486779 /nfs/dbraw/zinc/48/67/79/582486779.db2.gz BNHUNKUDKVUCBL-UHFFFAOYSA-N 0 3 195.331 2.980 20 0 AFADHN c1cc(CN2C3CCC2CC3)cs1 307649470 582488636 /nfs/dbraw/zinc/48/86/36/582488636.db2.gz PWCIWRDGDJRWFV-UHFFFAOYSA-N 0 3 193.315 2.875 20 0 AFADHN CCC[NH2+]Cc1cc([O-])cc(Cl)c1 892443515 582489251 /nfs/dbraw/zinc/48/92/51/582489251.db2.gz HEZXHJHAUZHRSB-UHFFFAOYSA-N 0 3 199.681 2.545 20 0 AFADHN CC(C)[NH2+]Cc1cc([O-])cc(Cl)c1 892502511 582490350 /nfs/dbraw/zinc/49/03/50/582490350.db2.gz RWQUUQKESHNHAO-UHFFFAOYSA-N 0 3 199.681 2.544 20 0 AFADHN CN(Cc1ccoc1)CC1(C)CC1 393727146 582494687 /nfs/dbraw/zinc/49/46/87/582494687.db2.gz XMDHACXZZROJIA-UHFFFAOYSA-N 0 3 179.263 2.512 20 0 AFADHN CC[C@@H](C)N(CC)Cc1cnoc1C 852289912 582497766 /nfs/dbraw/zinc/49/77/66/582497766.db2.gz AHIPFENDEYWXCI-SECBINFHSA-N 0 3 196.294 2.603 20 0 AFADHN CC[C@H](C)N(CC)Cc1cnoc1C 852289914 582497923 /nfs/dbraw/zinc/49/79/23/582497923.db2.gz AHIPFENDEYWXCI-VIFPVBQESA-N 0 3 196.294 2.603 20 0 AFADHN CCC[C@H](C)N(C)Cc1ocnc1C 893945989 582508776 /nfs/dbraw/zinc/50/87/76/582508776.db2.gz SWNMPSUJLIUZGX-VIFPVBQESA-N 0 3 196.294 2.603 20 0 AFADHN CCC(C)(C)N(C)Cc1ocnc1C 894020806 582508995 /nfs/dbraw/zinc/50/89/95/582508995.db2.gz WDHRWUNBOBRFLL-UHFFFAOYSA-N 0 3 196.294 2.603 20 0 AFADHN CCC[C@@H](C)N(C)Cc1ocnc1C 893945987 582509453 /nfs/dbraw/zinc/50/94/53/582509453.db2.gz SWNMPSUJLIUZGX-SECBINFHSA-N 0 3 196.294 2.603 20 0 AFADHN Cc1ncoc1CNCCCC(C)C 894164188 582510607 /nfs/dbraw/zinc/51/06/07/582510607.db2.gz DRLHKVOJAYTGPH-UHFFFAOYSA-N 0 3 196.294 2.509 20 0 AFADHN Cc1ncoc1CNC(C)(C)C(C)C 894228933 582512266 /nfs/dbraw/zinc/51/22/66/582512266.db2.gz JPHSPQWRQOHYOF-UHFFFAOYSA-N 0 3 196.294 2.507 20 0 AFADHN CCCC(C)(C)NCc1ocnc1C 894229526 582512302 /nfs/dbraw/zinc/51/23/02/582512302.db2.gz RSPXUEWRCQZNEV-UHFFFAOYSA-N 0 3 196.294 2.651 20 0 AFADHN CCC[C@H](CC)NCc1ocnc1C 894242343 582512768 /nfs/dbraw/zinc/51/27/68/582512768.db2.gz WXFODWJOQXEIMC-JTQLQIEISA-N 0 3 196.294 2.651 20 0 AFADHN CCC[C@@H](CC)NCc1ocnc1C 894242344 582512873 /nfs/dbraw/zinc/51/28/73/582512873.db2.gz WXFODWJOQXEIMC-SNVBAGLBSA-N 0 3 196.294 2.651 20 0 AFADHN CCC(C)(C)CNCc1ocnc1C 894562197 582516826 /nfs/dbraw/zinc/51/68/26/582516826.db2.gz CYAGHQFUOMHIRU-UHFFFAOYSA-N 0 3 196.294 2.509 20 0 AFADHN CCCN(Cc1ocnc1C)C(C)C 895183127 582525082 /nfs/dbraw/zinc/52/50/82/582525082.db2.gz IHYIZCRJJQOODT-UHFFFAOYSA-N 0 3 196.294 2.603 20 0 AFADHN CSCC(C)(C)NCc1ccco1 898305532 582551223 /nfs/dbraw/zinc/55/12/23/582551223.db2.gz HRTYZWMLJOLPSP-UHFFFAOYSA-N 0 3 199.319 2.511 20 0 AFADHN CCC(CC)(CC)NCc1ccno1 379665443 582592934 /nfs/dbraw/zinc/59/29/34/582592934.db2.gz WAGSLVBBXHPDCE-UHFFFAOYSA-N 0 3 196.294 2.733 20 0 AFADHN F[C@@H]1CCCN(CCCC2CC2)C1 902992648 582619757 /nfs/dbraw/zinc/61/97/57/582619757.db2.gz MJCPHAVWEKBMDL-LLVKDONJSA-N 0 3 185.286 2.611 20 0 AFADHN FCCCCCN1CCC[C@@H](F)C1 902993249 582619986 /nfs/dbraw/zinc/61/99/86/582619986.db2.gz QXEGWUFMPVCIMT-SNVBAGLBSA-N 0 3 191.265 2.560 20 0 AFADHN F[C@H]1CCCN(CCC2CCC2)C1 902992750 582620078 /nfs/dbraw/zinc/62/00/78/582620078.db2.gz OFWLWWLGIUGONA-NSHDSACASA-N 0 3 185.286 2.611 20 0 AFADHN CC(C)=CCCN1CCC[C@H](F)C1 902993817 582620126 /nfs/dbraw/zinc/62/01/26/582620126.db2.gz YSUOPELUNPYQQW-NSHDSACASA-N 0 3 185.286 2.777 20 0 AFADHN F[C@H]1CCCN(CCCC2CC2)C1 902992649 582620354 /nfs/dbraw/zinc/62/03/54/582620354.db2.gz MJCPHAVWEKBMDL-NSHDSACASA-N 0 3 185.286 2.611 20 0 AFADHN CC/C=C\CCN1CCC[C@H](F)C1 902997023 582620438 /nfs/dbraw/zinc/62/04/38/582620438.db2.gz YZTDOPLCJWCYSZ-BYCRGOAPSA-N 0 3 185.286 2.777 20 0 AFADHN F[C@@H]1CCCN(CCC2CCC2)C1 902992749 582620493 /nfs/dbraw/zinc/62/04/93/582620493.db2.gz OFWLWWLGIUGONA-LLVKDONJSA-N 0 3 185.286 2.611 20 0 AFADHN FCCCCCN1CCC[C@H](F)C1 902993248 582620707 /nfs/dbraw/zinc/62/07/07/582620707.db2.gz QXEGWUFMPVCIMT-JTQLQIEISA-N 0 3 191.265 2.560 20 0 AFADHN CC(C)=CCCN1CCC[C@@H](F)C1 902993816 582620880 /nfs/dbraw/zinc/62/08/80/582620880.db2.gz YSUOPELUNPYQQW-LLVKDONJSA-N 0 3 185.286 2.777 20 0 AFADHN CC/C=C\CCN1CCC[C@@H](F)C1 902997024 582621041 /nfs/dbraw/zinc/62/10/41/582621041.db2.gz YZTDOPLCJWCYSZ-DLRQAJBASA-N 0 3 185.286 2.777 20 0 AFADHN CC/C=C/CCN1CCC[C@@H](F)C1 902997026 582621252 /nfs/dbraw/zinc/62/12/52/582621252.db2.gz YZTDOPLCJWCYSZ-PGLGOXFNSA-N 0 3 185.286 2.777 20 0 AFADHN CC/C=C/CCN1CCC[C@H](F)C1 902997027 582621371 /nfs/dbraw/zinc/62/13/71/582621371.db2.gz YZTDOPLCJWCYSZ-UFFNRZRYSA-N 0 3 185.286 2.777 20 0 AFADHN CC[C@H](C)CNc1ccccc1CN 904485934 582639510 /nfs/dbraw/zinc/63/95/10/582639510.db2.gz PILRJYNGMHPFAH-JTQLQIEISA-N 0 3 192.306 2.603 20 0 AFADHN CC[C@@H](C)CNc1ccccc1CN 904485938 582639903 /nfs/dbraw/zinc/63/99/03/582639903.db2.gz PILRJYNGMHPFAH-SNVBAGLBSA-N 0 3 192.306 2.603 20 0 AFADHN CCCCNCc1cc(C(C)C)no1 906529105 582656769 /nfs/dbraw/zinc/65/67/69/582656769.db2.gz FKXMHDPWIUEQMG-UHFFFAOYSA-N 0 3 196.294 2.688 20 0 AFADHN CC[C@H](C)N[C@@H](C)c1cscn1 22862303 582698787 /nfs/dbraw/zinc/69/87/87/582698787.db2.gz ZRJLZUGFGXMGGR-YUMQZZPRSA-N 0 3 184.308 2.592 20 0 AFADHN CC[C@@H](C)N[C@@H](C)c1cscn1 22862299 582698902 /nfs/dbraw/zinc/69/89/02/582698902.db2.gz ZRJLZUGFGXMGGR-SFYZADRCSA-N 0 3 184.308 2.592 20 0 AFADHN CCCNCc1ccc([C@H]2C[C@H]2C)o1 19508968 582703309 /nfs/dbraw/zinc/70/33/09/582703309.db2.gz GSQWEIKGVBMDFF-KOLCDFICSA-N 0 3 193.290 2.903 20 0 AFADHN CCCNCc1ccc([C@@H]2C[C@@H]2C)o1 19508962 582702829 /nfs/dbraw/zinc/70/28/29/582702829.db2.gz GSQWEIKGVBMDFF-GXSJLCMTSA-N 0 3 193.290 2.903 20 0 AFADHN Cc1ccc([C@H](C)NC(C)C)o1 19880615 582702924 /nfs/dbraw/zinc/70/29/24/582702924.db2.gz VAFUURRDXPRVKN-VIFPVBQESA-N 0 3 167.252 2.647 20 0 AFADHN Cc1ccc([C@@H](C)NC(C)C)o1 19880618 582702977 /nfs/dbraw/zinc/70/29/77/582702977.db2.gz VAFUURRDXPRVKN-SECBINFHSA-N 0 3 167.252 2.647 20 0 AFADHN CCCNCc1ccc([C@H]2C[C@@H]2C)o1 19508964 582703215 /nfs/dbraw/zinc/70/32/15/582703215.db2.gz GSQWEIKGVBMDFF-ONGXEEELSA-N 0 3 193.290 2.903 20 0 AFADHN CCCNCc1ccc([C@@H]2C[C@H]2C)o1 19508966 582703323 /nfs/dbraw/zinc/70/33/23/582703323.db2.gz GSQWEIKGVBMDFF-MWLCHTKSSA-N 0 3 193.290 2.903 20 0 AFADHN CCCCN[C@H](C)c1cscn1 22862217 582706479 /nfs/dbraw/zinc/70/64/79/582706479.db2.gz WUWWNYOFXTVJCR-MRVPVSSYSA-N 0 3 184.308 2.594 20 0 AFADHN CCCCN[C@@H](C)c1cscn1 22862211 582706592 /nfs/dbraw/zinc/70/65/92/582706592.db2.gz WUWWNYOFXTVJCR-QMMMGPOBSA-N 0 3 184.308 2.594 20 0 AFADHN C[C@H]1CN(CCC(C)(C)C)C[C@@H](C)O1 202001051 582707081 /nfs/dbraw/zinc/70/70/81/582707081.db2.gz XZJYYKDZENWFGM-PHIMTYICSA-N 0 3 199.338 2.532 20 0 AFADHN C[C@H]1CCCN1Cc1ccccc1F 202498811 582707214 /nfs/dbraw/zinc/70/72/14/582707214.db2.gz RAEJSFUUVVWQOR-JTQLQIEISA-N 0 3 193.265 2.810 20 0 AFADHN C[C@@H]1CCCN1Cc1ccccc1F 202498793 582707791 /nfs/dbraw/zinc/70/77/91/582707791.db2.gz RAEJSFUUVVWQOR-SNVBAGLBSA-N 0 3 193.265 2.810 20 0 AFADHN CC(C)=CCNCc1cccs1 198664674 582714479 /nfs/dbraw/zinc/71/44/79/582714479.db2.gz VKOMHJQMHYGUPX-UHFFFAOYSA-N 0 3 181.304 2.804 20 0 AFADHN CN(C/C=C/Cl)C1CC(C)(C)C1 839189861 582727556 /nfs/dbraw/zinc/72/75/56/582727556.db2.gz UFZMKMDIXHISNM-SNAWJCMRSA-N 0 3 187.714 2.859 20 0 AFADHN CN(C/C=C\Cl)C1CC(C)(C)C1 839189823 582727606 /nfs/dbraw/zinc/72/76/06/582727606.db2.gz UFZMKMDIXHISNM-PLNGDYQASA-N 0 3 187.714 2.859 20 0 AFADHN CCCCCCN1CCOC[C@@H]1CC 740877982 582730146 /nfs/dbraw/zinc/73/01/46/582730146.db2.gz KZXDLGRIPPRLAQ-LBPRGKRZSA-N 0 3 199.338 2.678 20 0 AFADHN CCCCCCN1CCO[C@H](CC)C1 740874650 582730187 /nfs/dbraw/zinc/73/01/87/582730187.db2.gz YDVHUSRJAJOOIF-GFCCVEGCSA-N 0 3 199.338 2.678 20 0 AFADHN CCCCCCN1CCOC[C@H]1CC 740877981 582730198 /nfs/dbraw/zinc/73/01/98/582730198.db2.gz KZXDLGRIPPRLAQ-GFCCVEGCSA-N 0 3 199.338 2.678 20 0 AFADHN CCCCCCN1CCOCC1(C)C 740875260 582730211 /nfs/dbraw/zinc/73/02/11/582730211.db2.gz OUKPMSJZYBFYSX-UHFFFAOYSA-N 0 3 199.338 2.678 20 0 AFADHN CCCCCCN1C[C@H](C)OC[C@H]1C 740874798 582730240 /nfs/dbraw/zinc/73/02/40/582730240.db2.gz JQAPFWVODAPTFA-NEPJUHHUSA-N 0 3 199.338 2.676 20 0 AFADHN CCCCCCN1CCOC(C)(C)C1 740874814 582730665 /nfs/dbraw/zinc/73/06/65/582730665.db2.gz KZBUALILLIIGKH-UHFFFAOYSA-N 0 3 199.338 2.678 20 0 AFADHN CCCCCCN1CCO[C@@H](CC)C1 740874651 582730725 /nfs/dbraw/zinc/73/07/25/582730725.db2.gz YDVHUSRJAJOOIF-LBPRGKRZSA-N 0 3 199.338 2.678 20 0 AFADHN CCCCCCN1C[C@@H](C)OC[C@H]1C 740874801 582730833 /nfs/dbraw/zinc/73/08/33/582730833.db2.gz JQAPFWVODAPTFA-VXGBXAGGSA-N 0 3 199.338 2.676 20 0 AFADHN CCN(CCC(F)(F)F)C(C)C 740876214 582730846 /nfs/dbraw/zinc/73/08/46/582730846.db2.gz PDSMAPUHQSNDAA-UHFFFAOYSA-N 0 3 183.217 2.669 20 0 AFADHN CCCCCCN1C[C@@H](C)OC[C@@H]1C 740874799 582730924 /nfs/dbraw/zinc/73/09/24/582730924.db2.gz JQAPFWVODAPTFA-NWDGAFQWSA-N 0 3 199.338 2.676 20 0 AFADHN CCCCCCN1C[C@H](C)OC[C@@H]1C 740874800 582730971 /nfs/dbraw/zinc/73/09/71/582730971.db2.gz JQAPFWVODAPTFA-RYUDHWBXSA-N 0 3 199.338 2.676 20 0 AFADHN CCN(Cc1cnccc1C)C(C)C 746451077 582745709 /nfs/dbraw/zinc/74/57/09/582745709.db2.gz VUDXJTNPKMFHRU-UHFFFAOYSA-N 0 3 192.306 2.620 20 0 AFADHN CCN(Cc1ccc(C)cn1)C(C)C 746451449 582745944 /nfs/dbraw/zinc/74/59/44/582745944.db2.gz ZHHPBJAMNBTYNQ-UHFFFAOYSA-N 0 3 192.306 2.620 20 0 AFADHN CCCN(CCF)Cc1ccccc1 746494096 582747514 /nfs/dbraw/zinc/74/75/14/582747514.db2.gz OSODZGITBLHHHR-UHFFFAOYSA-N 0 3 195.281 2.868 20 0 AFADHN CCCN1CCc2c(F)cccc2C1 757151179 582794523 /nfs/dbraw/zinc/79/45/23/582794523.db2.gz XTENNGJWNMYGAX-UHFFFAOYSA-N 0 3 193.265 2.594 20 0 AFADHN Cl/C=C/CN1CC[C@H](C2CCC2)C1 839673827 582797028 /nfs/dbraw/zinc/79/70/28/582797028.db2.gz BAIQMKFHVZBGLF-GSQGTZRGSA-N 0 3 199.725 2.861 20 0 AFADHN C[C@H]1CC(C)(C)CN1C/C=C\Cl 839660815 582795168 /nfs/dbraw/zinc/79/51/68/582795168.db2.gz PHYYKLBVDXTGMZ-WBSSQXGSSA-N 0 3 187.714 2.859 20 0 AFADHN C[C@H]1CC(C)(C)CN1C/C=C/Cl 839660814 582795251 /nfs/dbraw/zinc/79/52/51/582795251.db2.gz PHYYKLBVDXTGMZ-MOVJSRMASA-N 0 3 187.714 2.859 20 0 AFADHN C[C@@H]1CC(C)(C)CN1C/C=C/Cl 839660816 582795460 /nfs/dbraw/zinc/79/54/60/582795460.db2.gz PHYYKLBVDXTGMZ-XNPJLODASA-N 0 3 187.714 2.859 20 0 AFADHN C[C@@H]1CC(C)(C)CN1C/C=C\Cl 839660817 582795513 /nfs/dbraw/zinc/79/55/13/582795513.db2.gz PHYYKLBVDXTGMZ-XRVBUDJMSA-N 0 3 187.714 2.859 20 0 AFADHN Cl/C=C\CN1CC[C@H](C2CCC2)C1 839673853 582796140 /nfs/dbraw/zinc/79/61/40/582796140.db2.gz BAIQMKFHVZBGLF-ZYVOWACSSA-N 0 3 199.725 2.861 20 0 AFADHN Cl/C=C\CN1CC[C@@H](C2CCC2)C1 839673850 582796695 /nfs/dbraw/zinc/79/66/95/582796695.db2.gz BAIQMKFHVZBGLF-WPPTZLTKSA-N 0 3 199.725 2.861 20 0 AFADHN Cl/C=C/CN1CC[C@@H](C2CCC2)C1 839673848 582796921 /nfs/dbraw/zinc/79/69/21/582796921.db2.gz BAIQMKFHVZBGLF-SZHMKSFOSA-N 0 3 199.725 2.861 20 0 AFADHN CN(CCF)CCCc1ccccc1 759328130 582802211 /nfs/dbraw/zinc/80/22/11/582802211.db2.gz NROSBOIDQQNYTO-UHFFFAOYSA-N 0 3 195.281 2.521 20 0 AFADHN C[C@@H]1CCN(CCF)[C@H]2CCCC[C@@H]21 759343388 582802737 /nfs/dbraw/zinc/80/27/37/582802737.db2.gz UHQSACBMYBWLNE-UTUOFQBUSA-N 0 3 199.313 2.857 20 0 AFADHN C[C@@H]1CCN(CCF)[C@@H]2CCCC[C@H]12 759343386 582802825 /nfs/dbraw/zinc/80/28/25/582802825.db2.gz UHQSACBMYBWLNE-IJLUTSLNSA-N 0 3 199.313 2.857 20 0 AFADHN C[C@@H]1CCN(CCF)[C@@H]2CCCC[C@@H]12 759343383 582803289 /nfs/dbraw/zinc/80/32/89/582803289.db2.gz UHQSACBMYBWLNE-GRYCIOLGSA-N 0 3 199.313 2.857 20 0 AFADHN C[C@@H]1CCN(CCF)[C@H]2CCCC[C@H]21 759343392 582803388 /nfs/dbraw/zinc/80/33/88/582803388.db2.gz UHQSACBMYBWLNE-WOPDTQHZSA-N 0 3 199.313 2.857 20 0 AFADHN CCCCCCN1CCO[C@H](C)[C@H]1C 766110549 582827329 /nfs/dbraw/zinc/82/73/29/582827329.db2.gz XQJXHKSJBPYFFU-VXGBXAGGSA-N 0 3 199.338 2.676 20 0 AFADHN CCCCCCN1CCO[C@@H](C)[C@@H]1C 766110547 582827447 /nfs/dbraw/zinc/82/74/47/582827447.db2.gz XQJXHKSJBPYFFU-RYUDHWBXSA-N 0 3 199.338 2.676 20 0 AFADHN CCCCCCN1CCO[C@H](C)[C@@H]1C 766110544 582827660 /nfs/dbraw/zinc/82/76/60/582827660.db2.gz XQJXHKSJBPYFFU-NWDGAFQWSA-N 0 3 199.338 2.676 20 0 AFADHN CCCCCCN1CCO[C@@H](C)[C@H]1C 766110543 582827988 /nfs/dbraw/zinc/82/79/88/582827988.db2.gz XQJXHKSJBPYFFU-NEPJUHHUSA-N 0 3 199.338 2.676 20 0 AFADHN CCN(Cc1cc(C)oc1C)C1CC1 768303182 582834361 /nfs/dbraw/zinc/83/43/61/582834361.db2.gz WTFCHECRWIHCQN-UHFFFAOYSA-N 0 3 193.290 2.881 20 0 AFADHN CCN(Cc1cccnc1C)C(C)C 768237408 582834636 /nfs/dbraw/zinc/83/46/36/582834636.db2.gz RADBCDCKZNRCOI-UHFFFAOYSA-N 0 3 192.306 2.620 20 0 AFADHN Cc1cc(CN(C)CC(C)C)c(C)o1 768245344 582835135 /nfs/dbraw/zinc/83/51/35/582835135.db2.gz PRUSXAKHMTWIDS-UHFFFAOYSA-N 0 3 195.306 2.984 20 0 AFADHN c1cc(CN(CC2CC2)C2CC2)co1 769327593 582838952 /nfs/dbraw/zinc/83/89/52/582838952.db2.gz JSZXZLYERUJSJE-UHFFFAOYSA-N 0 3 191.274 2.654 20 0 AFADHN Cc1cc(CN(C)C2CCC2)c(C)o1 769447801 582840321 /nfs/dbraw/zinc/84/03/21/582840321.db2.gz ZLXMWAOQJFCTTH-UHFFFAOYSA-N 0 3 193.290 2.881 20 0 AFADHN Cc1cc(CN2CC=CCC2)c(C)o1 779162491 582871847 /nfs/dbraw/zinc/87/18/47/582871847.db2.gz LGIVDIGFLMELMY-UHFFFAOYSA-N 0 3 191.274 2.658 20 0 AFADHN CCC[C@H](C)N(C)Cc1cnoc1C 782477300 582884111 /nfs/dbraw/zinc/88/41/11/582884111.db2.gz MHHDVWBPAKXEOA-VIFPVBQESA-N 0 3 196.294 2.603 20 0 AFADHN CCC[C@@H](C)N(C)Cc1cnoc1C 782477299 582884590 /nfs/dbraw/zinc/88/45/90/582884590.db2.gz MHHDVWBPAKXEOA-SECBINFHSA-N 0 3 196.294 2.603 20 0 AFADHN CCC(C)(C)N(C)Cc1cnoc1C 782513539 582884621 /nfs/dbraw/zinc/88/46/21/582884621.db2.gz SRRFZACRPXJXHX-UHFFFAOYSA-N 0 3 196.294 2.603 20 0 AFADHN CCN(Cc1cncc(C)c1)C(C)C 785441990 582893242 /nfs/dbraw/zinc/89/32/42/582893242.db2.gz PHAVXKSNOZOWOU-UHFFFAOYSA-N 0 3 192.306 2.620 20 0 AFADHN CCN(Cc1cc(C)ccn1)C(C)C 792208523 582916352 /nfs/dbraw/zinc/91/63/52/582916352.db2.gz NVGRWXXJSMTGNS-UHFFFAOYSA-N 0 3 192.306 2.620 20 0 AFADHN CCN1CCc2cc(F)cc(C)c2C1 800472587 582934863 /nfs/dbraw/zinc/93/48/63/582934863.db2.gz URTFAZUXEIDYQK-UHFFFAOYSA-N 0 3 193.265 2.512 20 0 AFADHN CC(C)(C)SCCN1CC=CCC1 801938724 582937659 /nfs/dbraw/zinc/93/76/59/582937659.db2.gz IHUDDCOHVPPLGF-UHFFFAOYSA-N 0 3 199.363 2.780 20 0 AFADHN CCC1(NCc2cc(C)oc2C)CC1 824620463 583045567 /nfs/dbraw/zinc/04/55/67/583045567.db2.gz PWHPIVYHGCKOKP-UHFFFAOYSA-N 0 3 193.290 2.929 20 0 AFADHN CCCCCCN(C(C)C)C1COC1 830217983 583065676 /nfs/dbraw/zinc/06/56/76/583065676.db2.gz VJTHDIVUENDDJF-UHFFFAOYSA-N 0 3 199.338 2.676 20 0 AFADHN CCCCCCN1CC[C@H](F)C1 830467882 583067365 /nfs/dbraw/zinc/06/73/65/583067365.db2.gz SRTLTONEHJXTEH-JTQLQIEISA-N 0 3 173.275 2.611 20 0 AFADHN CCCCCCN1CC[C@@H](F)C1 830467883 583067990 /nfs/dbraw/zinc/06/79/90/583067990.db2.gz SRTLTONEHJXTEH-SNVBAGLBSA-N 0 3 173.275 2.611 20 0 AFADHN FCCN1CCCCCCCC1 831937825 583076266 /nfs/dbraw/zinc/07/62/66/583076266.db2.gz YFYCMGIHODAJTI-UHFFFAOYSA-N 0 3 173.275 2.612 20 0 AFADHN CC(C)(C)C[C@H]1CCN(CCF)C1 832727631 583080023 /nfs/dbraw/zinc/08/00/23/583080023.db2.gz VAHXHRAQWPHNBM-SNVBAGLBSA-N 0 3 187.302 2.714 20 0 AFADHN CC(C)(C)C[C@@H]1CCN(CCF)C1 832727630 583080073 /nfs/dbraw/zinc/08/00/73/583080073.db2.gz VAHXHRAQWPHNBM-JTQLQIEISA-N 0 3 187.302 2.714 20 0 AFADHN CCC1CN(Cc2cc(C)oc2C)C1 835074192 583095056 /nfs/dbraw/zinc/09/50/56/583095056.db2.gz IHZZUSJUCSQLNB-UHFFFAOYSA-N 0 3 193.290 2.738 20 0 AFADHN CCN(Cc1ccoc1C)C(C)C 840909252 583111273 /nfs/dbraw/zinc/11/12/73/583111273.db2.gz FEZNNUMOJIFHTG-UHFFFAOYSA-N 0 3 181.279 2.818 20 0 AFADHN F[C@H]1CCCN(CC2CCCC2)C1 846119397 583153022 /nfs/dbraw/zinc/15/30/22/583153022.db2.gz DVBYSWZDRYLYFP-NSHDSACASA-N 0 3 185.286 2.611 20 0 AFADHN F[C@@H]1CCCN(CC2CCCC2)C1 846119396 583153047 /nfs/dbraw/zinc/15/30/47/583153047.db2.gz DVBYSWZDRYLYFP-LLVKDONJSA-N 0 3 185.286 2.611 20 0 AFADHN CCCN(C/C=C\Cl)C(C)C 847034486 583161814 /nfs/dbraw/zinc/16/18/14/583161814.db2.gz VDGSKGNTIOGEHD-WAYWQWQTSA-N 0 3 175.703 2.859 20 0 AFADHN CCCN(Cc1cnoc1C)C(C)C 847029784 583161855 /nfs/dbraw/zinc/16/18/55/583161855.db2.gz XYNDGICMJZTWQN-UHFFFAOYSA-N 0 3 196.294 2.603 20 0 AFADHN CCCN(C/C=C/Cl)C(C)C 847034485 583161871 /nfs/dbraw/zinc/16/18/71/583161871.db2.gz VDGSKGNTIOGEHD-AATRIKPKSA-N 0 3 175.703 2.859 20 0 AFADHN Cc1cc(CN[C@H]2C=CCC2)c(C)o1 850358766 583185524 /nfs/dbraw/zinc/18/55/24/583185524.db2.gz LEHZQQQVYIYWOQ-LBPRGKRZSA-N 0 3 191.274 2.705 20 0 AFADHN Cc1cc(CN[C@@H]2C=CCC2)c(C)o1 850358765 583185746 /nfs/dbraw/zinc/18/57/46/583185746.db2.gz LEHZQQQVYIYWOQ-GFCCVEGCSA-N 0 3 191.274 2.705 20 0 AFADHN CC[C@H](C)N(CC)C/C=C/Cl 852293849 583205975 /nfs/dbraw/zinc/20/59/75/583205975.db2.gz ROFULJOLYZVWDP-UCUJLANTSA-N 0 3 175.703 2.859 20 0 AFADHN CC[C@@H](C)N(CC)C/C=C/Cl 852293852 583206130 /nfs/dbraw/zinc/20/61/30/583206130.db2.gz ROFULJOLYZVWDP-XCODYQFDSA-N 0 3 175.703 2.859 20 0 AFADHN CC[C@H](C)N(CC)C/C=C\Cl 852293847 583206192 /nfs/dbraw/zinc/20/61/92/583206192.db2.gz ROFULJOLYZVWDP-NMTCXDENSA-N 0 3 175.703 2.859 20 0 AFADHN CC[C@@H](C)N(CC)C/C=C\Cl 852293844 583206208 /nfs/dbraw/zinc/20/62/08/583206208.db2.gz ROFULJOLYZVWDP-ATJFRQLMSA-N 0 3 175.703 2.859 20 0 AFADHN FCCN1CC[C@@H](C2CCCCC2)C1 852490251 583206928 /nfs/dbraw/zinc/20/69/28/583206928.db2.gz OSXLQWAZFAXOIY-GFCCVEGCSA-N 0 3 199.313 2.858 20 0 AFADHN FCCN1CC[C@H](C2CCCCC2)C1 852490252 583207814 /nfs/dbraw/zinc/20/78/14/583207814.db2.gz OSXLQWAZFAXOIY-LBPRGKRZSA-N 0 3 199.313 2.858 20 0 AFADHN CCC1(CC)CCCN(CCF)C1 852527664 583208180 /nfs/dbraw/zinc/20/81/80/583208180.db2.gz KBRINIQFXPNEAV-UHFFFAOYSA-N 0 3 187.302 2.858 20 0 AFADHN CN(C/C=C/Cl)C[C@H]1CC1(C)C 852772071 583210928 /nfs/dbraw/zinc/21/09/28/583210928.db2.gz JPTBRQBLDGXGJP-XNPJLODASA-N 0 3 187.714 2.717 20 0 AFADHN CN(C/C=C\Cl)C[C@@H]1CC1(C)C 852772068 583211022 /nfs/dbraw/zinc/21/10/22/583211022.db2.gz JPTBRQBLDGXGJP-WBSSQXGSSA-N 0 3 187.714 2.717 20 0 AFADHN CN(C/C=C/Cl)C[C@@H]1CC1(C)C 852772067 583211786 /nfs/dbraw/zinc/21/17/86/583211786.db2.gz JPTBRQBLDGXGJP-MOVJSRMASA-N 0 3 187.714 2.717 20 0 AFADHN CN(C/C=C\Cl)C[C@H]1CC1(C)C 852772073 583211816 /nfs/dbraw/zinc/21/18/16/583211816.db2.gz JPTBRQBLDGXGJP-XRVBUDJMSA-N 0 3 187.714 2.717 20 0 AFADHN C[C@H]1CCCCN1C/C=C\Cl 207164460 583336400 /nfs/dbraw/zinc/33/64/00/583336400.db2.gz BMVUQOYYCAAMCP-RNEXMXFGSA-N 0 3 173.687 2.613 20 0 AFADHN Cl/C=C\CN1CCCCCC1 207168946 583336469 /nfs/dbraw/zinc/33/64/69/583336469.db2.gz FJIVVDIZZHNGHF-WAYWQWQTSA-N 0 3 173.687 2.615 20 0 AFADHN C[C@H]1C[C@@H](C)CN(C/C=C\Cl)C1 207167640 583336694 /nfs/dbraw/zinc/33/66/94/583336694.db2.gz JOROTUIQTDNHBJ-BZDJSAGESA-N 0 3 187.714 2.717 20 0 AFADHN C[C@@H]1CCCCN1C/C=C\Cl 207164416 583336871 /nfs/dbraw/zinc/33/68/71/583336871.db2.gz BMVUQOYYCAAMCP-XTULLQBASA-N 0 3 173.687 2.613 20 0 AFADHN CCCN[C@@H](C)c1cc(O)ccc1F 872016498 583358849 /nfs/dbraw/zinc/35/88/49/583358849.db2.gz KGCFRVUQBYCKEX-QMMMGPOBSA-N 0 3 197.253 2.592 20 0 AFADHN CCC[NH2+][C@@H](C)c1cccc([O-])c1F 872017311 583358855 /nfs/dbraw/zinc/35/88/55/583358855.db2.gz ZDYIQCCYICNRGV-QMMMGPOBSA-N 0 3 197.253 2.592 20 0 AFADHN CCC[NH2+][C@H](C)c1cccc([O-])c1F 872017310 583359030 /nfs/dbraw/zinc/35/90/30/583359030.db2.gz ZDYIQCCYICNRGV-MRVPVSSYSA-N 0 3 197.253 2.592 20 0 AFADHN CCCN[C@H](C)c1cc(O)ccc1F 872016497 583359097 /nfs/dbraw/zinc/35/90/97/583359097.db2.gz KGCFRVUQBYCKEX-MRVPVSSYSA-N 0 3 197.253 2.592 20 0 AFADHN CCCCCCN[C@H](C)c1ncc[nH]1 124689754 583376804 /nfs/dbraw/zinc/37/68/04/583376804.db2.gz XDFHWEJYMWPGJR-SNVBAGLBSA-N 0 3 195.310 2.641 20 0 AFADHN CCCCCCN[C@@H](C)c1ncc[nH]1 124689579 583377915 /nfs/dbraw/zinc/37/79/15/583377915.db2.gz XDFHWEJYMWPGJR-JTQLQIEISA-N 0 3 195.310 2.641 20 0 AFADHN CSCC[C@H](C)NCc1ccco1 125054488 583382056 /nfs/dbraw/zinc/38/20/56/583382056.db2.gz LSLYLSVAGBYKIF-VIFPVBQESA-N 0 3 199.319 2.511 20 0 AFADHN CSCC[C@@H](C)NCc1ccco1 125054703 583382156 /nfs/dbraw/zinc/38/21/56/583382156.db2.gz LSLYLSVAGBYKIF-SECBINFHSA-N 0 3 199.319 2.511 20 0 AFADHN CN(CCCC1CC1)Cc1ccco1 877906746 583398499 /nfs/dbraw/zinc/39/84/99/583398499.db2.gz WDDMODVLEUSTQY-UHFFFAOYSA-N 0 3 193.290 2.902 20 0 AFADHN C=C/C=C/CCN(C)Cc1ccco1 877906339 583398778 /nfs/dbraw/zinc/39/87/78/583398778.db2.gz OUXYKAFAEDIGAE-SNAWJCMRSA-N 0 3 191.274 2.844 20 0 AFADHN C=C/C=C\CCN(C)Cc1ccco1 877906338 583399092 /nfs/dbraw/zinc/39/90/92/583399092.db2.gz OUXYKAFAEDIGAE-PLNGDYQASA-N 0 3 191.274 2.844 20 0 AFADHN C[C@H](NC1CC1)c1ccc(Cl)nc1 126790923 583399696 /nfs/dbraw/zinc/39/96/96/583399696.db2.gz NTOCOWLHUPWSHL-ZETCQYMHSA-N 0 3 196.681 2.548 20 0 AFADHN C[C@@H](NC1CC1)c1ccc(Cl)nc1 126791110 583400260 /nfs/dbraw/zinc/40/02/60/583400260.db2.gz NTOCOWLHUPWSHL-SSDOTTSWSA-N 0 3 196.681 2.548 20 0 AFADHN C=C/C=C\CCN(C)Cc1ccoc1 877988625 583401498 /nfs/dbraw/zinc/40/14/98/583401498.db2.gz KEMXAGFPMZOJKR-PLNGDYQASA-N 0 3 191.274 2.844 20 0 AFADHN CN(CCCC1CC1)Cc1ccoc1 877988092 583401516 /nfs/dbraw/zinc/40/15/16/583401516.db2.gz CHULKYSSAHYLTM-UHFFFAOYSA-N 0 3 193.290 2.902 20 0 AFADHN C=C/C=C/CCN(C)Cc1ccoc1 877988626 583401789 /nfs/dbraw/zinc/40/17/89/583401789.db2.gz KEMXAGFPMZOJKR-SNAWJCMRSA-N 0 3 191.274 2.844 20 0 AFADHN CC(=O)CN(C)C1CCCCCCC1 878020631 583403050 /nfs/dbraw/zinc/40/30/50/583403050.db2.gz SQTZZOVWTUSBCR-UHFFFAOYSA-N 0 3 197.322 2.620 20 0 AFADHN ClC1=CCCN(CC2CCC2)C1 878789707 583413968 /nfs/dbraw/zinc/41/39/68/583413968.db2.gz AORUKFAPHVNTRZ-UHFFFAOYSA-N 0 3 185.698 2.615 20 0 AFADHN CC[C@@H](C)N1CCC=C(Cl)C1 878791392 583414708 /nfs/dbraw/zinc/41/47/08/583414708.db2.gz NHFINHLIIMXVRL-MRVPVSSYSA-N 0 3 173.687 2.613 20 0 AFADHN ClC1=CCCN(CCC2CC2)C1 878791866 583414412 /nfs/dbraw/zinc/41/44/12/583414412.db2.gz TXMBJFHWDSADJH-UHFFFAOYSA-N 0 3 185.698 2.615 20 0 AFADHN ClC1=CCCN(CC2CC=CC2)C1 878790961 583414417 /nfs/dbraw/zinc/41/44/17/583414417.db2.gz ZEZKTDPYQWOTIT-UHFFFAOYSA-N 0 3 197.709 2.781 20 0 AFADHN ClC1=CCCN(C2CCCC2)C1 878790990 583414730 /nfs/dbraw/zinc/41/47/30/583414730.db2.gz AGXRHXRWAOLTKX-UHFFFAOYSA-N 0 3 185.698 2.757 20 0 AFADHN CC[C@H](C)N1CCC=C(Cl)C1 878791402 583414746 /nfs/dbraw/zinc/41/47/46/583414746.db2.gz NHFINHLIIMXVRL-QMMMGPOBSA-N 0 3 173.687 2.613 20 0 AFADHN CCCCN1CCC=C(Cl)C1 878793602 583414755 /nfs/dbraw/zinc/41/47/55/583414755.db2.gz IRDAVQMZRANWNT-UHFFFAOYSA-N 0 3 173.687 2.615 20 0 AFADHN Cc1cc(CNC2(C)CCC2)c(C)o1 127781860 583419112 /nfs/dbraw/zinc/41/91/12/583419112.db2.gz BIHRRTRSPWOTHZ-UHFFFAOYSA-N 0 3 193.290 2.929 20 0 AFADHN Cc1cc(CNC2CC(C)C2)c(C)o1 127720081 583419260 /nfs/dbraw/zinc/41/92/60/583419260.db2.gz PAZCKRBQALWDDZ-UHFFFAOYSA-N 0 3 193.290 2.785 20 0 AFADHN Cc1cc(CNC2CC=CC2)c(C)o1 127742717 583419418 /nfs/dbraw/zinc/41/94/18/583419418.db2.gz MDVARAWKAJCSTD-UHFFFAOYSA-N 0 3 191.274 2.705 20 0 AFADHN CSC(C)(C)CNCc1ccco1 128220447 583425474 /nfs/dbraw/zinc/42/54/74/583425474.db2.gz BQMZFPSCLLNBDL-UHFFFAOYSA-N 0 3 199.319 2.511 20 0 AFADHN FC1CCN(Cc2cccs2)CC1 880240262 583428195 /nfs/dbraw/zinc/42/81/95/583428195.db2.gz RPJUBTLQSVEDLK-UHFFFAOYSA-N 0 3 199.294 2.682 20 0 AFADHN FC1CCN(Cc2ccsc2)CC1 880239544 583428234 /nfs/dbraw/zinc/42/82/34/583428234.db2.gz KXNWBIXTGDNONC-UHFFFAOYSA-N 0 3 199.294 2.682 20 0 AFADHN FC[C@H]1CCN(Cc2cccs2)C1 880296475 583429434 /nfs/dbraw/zinc/42/94/34/583429434.db2.gz CFXICKCTPGTBAY-SECBINFHSA-N 0 3 199.294 2.540 20 0 AFADHN FC[C@@H]1CCN(Cc2cccs2)C1 880296476 583429737 /nfs/dbraw/zinc/42/97/37/583429737.db2.gz CFXICKCTPGTBAY-VIFPVBQESA-N 0 3 199.294 2.540 20 0 AFADHN FC[C@@H]1CCN(Cc2ccsc2)C1 880299376 583430548 /nfs/dbraw/zinc/43/05/48/583430548.db2.gz GYCKVSKFABJHSI-VIFPVBQESA-N 0 3 199.294 2.540 20 0 AFADHN FC[C@H]1CCN(Cc2ccsc2)C1 880299374 583431135 /nfs/dbraw/zinc/43/11/35/583431135.db2.gz GYCKVSKFABJHSI-SECBINFHSA-N 0 3 199.294 2.540 20 0 AFADHN CSc1ccc(CNC(C)(C)C)o1 882885857 583458234 /nfs/dbraw/zinc/45/82/34/583458234.db2.gz RNENLWMJUNDPME-UHFFFAOYSA-N 0 3 199.319 2.890 20 0 AFADHN CCNC(C)(C)c1ccc(F)cc1F 886900617 583503864 /nfs/dbraw/zinc/50/38/64/583503864.db2.gz CNYHXXFZRYXGCV-UHFFFAOYSA-N 0 3 199.244 2.809 20 0 AFADHN CCc1ccc(CNCC(C)(C)C)o1 51724660 490015795 /nfs/dbraw/zinc/01/57/95/490015795.db2.gz DIYJOZJQJGZEBP-UHFFFAOYSA-N 0 3 195.306 2.978 20 0 AFADHN CCCCNCc1ccc(CC)o1 51721283 490015836 /nfs/dbraw/zinc/01/58/36/490015836.db2.gz MWZKNXSAJNCXTA-UHFFFAOYSA-N 0 3 181.279 2.732 20 0 AFADHN CCc1ccc(CNCC(C)C)o1 51721167 490015862 /nfs/dbraw/zinc/01/58/62/490015862.db2.gz LXNDTGKYISFLHI-UHFFFAOYSA-N 0 3 181.279 2.588 20 0 AFADHN CCc1ccc(CNCC2CCC2)o1 51722190 490015867 /nfs/dbraw/zinc/01/58/67/490015867.db2.gz RCQNGRJQLIVXSN-UHFFFAOYSA-N 0 3 193.290 2.732 20 0 AFADHN CCCN[C@@H](C)c1ccc(CC)o1 51728178 490015871 /nfs/dbraw/zinc/01/58/71/490015871.db2.gz GLONVFLOHZAPMG-VIFPVBQESA-N 0 3 181.279 2.903 20 0 AFADHN CCc1ccc(CN[C@@H](C)CC)o1 51721162 490015905 /nfs/dbraw/zinc/01/59/05/490015905.db2.gz LMYJALCYBKBDBX-VIFPVBQESA-N 0 3 181.279 2.730 20 0 AFADHN CCc1ccc(CN[C@H](C)C2CC2)o1 51722267 490015919 /nfs/dbraw/zinc/01/59/19/490015919.db2.gz OUXSXMOISPSILJ-SECBINFHSA-N 0 3 193.290 2.730 20 0 AFADHN CCc1ccc(CNCCC(C)C)o1 51721328 490015946 /nfs/dbraw/zinc/01/59/46/490015946.db2.gz DJKOVGGTMBLRKR-UHFFFAOYSA-N 0 3 195.306 2.978 20 0 AFADHN CCc1ccc(CNC(C)(C)C)o1 51721119 490015962 /nfs/dbraw/zinc/01/59/62/490015962.db2.gz SEPKZOIJYAEKTJ-UHFFFAOYSA-N 0 3 181.279 2.730 20 0 AFADHN CCc1ccc(CNC2CCCC2)o1 51721169 490015977 /nfs/dbraw/zinc/01/59/77/490015977.db2.gz VMVLPCOXVYOVMM-UHFFFAOYSA-N 0 3 193.290 2.874 20 0 AFADHN CCc1ccc(CN[C@@H](C)C2CC2)o1 51722264 490015996 /nfs/dbraw/zinc/01/59/96/490015996.db2.gz OUXSXMOISPSILJ-VIFPVBQESA-N 0 3 193.290 2.730 20 0 AFADHN CCc1ccc(CN[C@H]2CC2(C)C)o1 51725035 490016001 /nfs/dbraw/zinc/01/60/01/490016001.db2.gz WBEQYTPECYOJAF-NSHDSACASA-N 0 3 193.290 2.730 20 0 AFADHN CCc1ccc(CN[C@H](C)CC)o1 51721164 490016010 /nfs/dbraw/zinc/01/60/10/490016010.db2.gz LMYJALCYBKBDBX-SECBINFHSA-N 0 3 181.279 2.730 20 0 AFADHN CC(C)N1CCc2ccc(F)cc2C1 74448162 490020901 /nfs/dbraw/zinc/02/09/01/490020901.db2.gz KKOHYZRKIIVZHE-UHFFFAOYSA-N 0 3 193.265 2.592 20 0 AFADHN CC(C)N1CCc2cccc(F)c2C1 74449934 490021128 /nfs/dbraw/zinc/02/11/28/490021128.db2.gz FDIYAQZTHOCTCI-UHFFFAOYSA-N 0 3 193.265 2.592 20 0 AFADHN CCCN[C@H](C)c1csc(CC)n1 76784247 490023595 /nfs/dbraw/zinc/02/35/95/490023595.db2.gz RNTCMSFQZNVZHN-MRVPVSSYSA-N 0 3 198.335 2.766 20 0 AFADHN CCCN[C@@H](C)c1csc(CC)n1 76784245 490023615 /nfs/dbraw/zinc/02/36/15/490023615.db2.gz RNTCMSFQZNVZHN-QMMMGPOBSA-N 0 3 198.335 2.766 20 0 AFADHN CC[C@@H](C)N[C@H](C)c1ncc(C)s1 125264238 490032829 /nfs/dbraw/zinc/03/28/29/490032829.db2.gz PMQFYWAWOICYDY-VXNVDRBHSA-N 0 3 198.335 2.901 20 0 AFADHN CC[C@@H](C)N[C@@H](C)c1ncc(C)s1 125263811 490032862 /nfs/dbraw/zinc/03/28/62/490032862.db2.gz PMQFYWAWOICYDY-APPZFPTMSA-N 0 3 198.335 2.901 20 0 AFADHN CC[C@H](C)N[C@H](C)c1ncc(C)s1 125264458 490033124 /nfs/dbraw/zinc/03/31/24/490033124.db2.gz PMQFYWAWOICYDY-IONNQARKSA-N 0 3 198.335 2.901 20 0 AFADHN CC[C@H](C)N[C@@H](C)c1ncc(C)s1 125264029 490033150 /nfs/dbraw/zinc/03/31/50/490033150.db2.gz PMQFYWAWOICYDY-CBAPKCEASA-N 0 3 198.335 2.901 20 0 AFADHN Cc1cnc([C@H](C)NCC(C)C)s1 125397081 490033643 /nfs/dbraw/zinc/03/36/43/490033643.db2.gz DDTJBVGJFMNXRA-VIFPVBQESA-N 0 3 198.335 2.758 20 0 AFADHN Cc1cnc([C@@H](C)NCC(C)C)s1 125396898 490033985 /nfs/dbraw/zinc/03/39/85/490033985.db2.gz DDTJBVGJFMNXRA-SECBINFHSA-N 0 3 198.335 2.758 20 0 AFADHN c1coc(CNCC2(C3CC3)CC2)c1 125858473 490035272 /nfs/dbraw/zinc/03/52/72/490035272.db2.gz LCSJFVSYCQESAY-UHFFFAOYSA-N 0 3 191.274 2.559 20 0 AFADHN CCCCN[C@@H](C)c1ncc(C)s1 125994904 490035984 /nfs/dbraw/zinc/03/59/84/490035984.db2.gz ZIHQFINJFSWPNF-VIFPVBQESA-N 0 3 198.335 2.902 20 0 AFADHN CCCCN[C@H](C)c1ncc(C)s1 125995144 490036030 /nfs/dbraw/zinc/03/60/30/490036030.db2.gz ZIHQFINJFSWPNF-SECBINFHSA-N 0 3 198.335 2.902 20 0 AFADHN Cc1ncc([C@H](C)NC(C)C)s1 126945891 490040280 /nfs/dbraw/zinc/04/02/80/490040280.db2.gz QCNUUZXMXRIHLB-ZETCQYMHSA-N 0 3 184.308 2.511 20 0 AFADHN Cc1ncc([C@@H](C)NC(C)C)s1 126945646 490040368 /nfs/dbraw/zinc/04/03/68/490040368.db2.gz QCNUUZXMXRIHLB-SSDOTTSWSA-N 0 3 184.308 2.511 20 0 AFADHN CCC[C@@H](NC(C)C)c1ccccn1 127519764 490042992 /nfs/dbraw/zinc/04/29/92/490042992.db2.gz KIOFLZMUYVVLOV-GFCCVEGCSA-N 0 3 192.306 2.921 20 0 AFADHN CCC[C@H](NC(C)C)c1ccccn1 127519498 490043320 /nfs/dbraw/zinc/04/33/20/490043320.db2.gz KIOFLZMUYVVLOV-LBPRGKRZSA-N 0 3 192.306 2.921 20 0 AFADHN Cc1ccoc1CN[C@H]1CC[C@H](C)C1 128478851 490045060 /nfs/dbraw/zinc/04/50/60/490045060.db2.gz GQBXSJJJPSAABL-ONGXEEELSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccoc1CN[C@H]1CC[C@@H](C)C1 128479300 490045300 /nfs/dbraw/zinc/04/53/00/490045300.db2.gz GQBXSJJJPSAABL-KOLCDFICSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccoc1CN[C@@H]1CC[C@@H](C)C1 128479097 490045367 /nfs/dbraw/zinc/04/53/67/490045367.db2.gz GQBXSJJJPSAABL-MWLCHTKSSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccoc1CN[C@@H]1CC[C@H](C)C1 128478607 490045575 /nfs/dbraw/zinc/04/55/75/490045575.db2.gz GQBXSJJJPSAABL-GXSJLCMTSA-N 0 3 193.290 2.866 20 0 AFADHN CC1CC(NCc2ccccc2F)C1 128871770 490046527 /nfs/dbraw/zinc/04/65/27/490046527.db2.gz FADORLDZGUOBSO-UHFFFAOYSA-N 0 3 193.265 2.714 20 0 AFADHN CC[C@@H](C)CNCc1ncc(C)s1 129017529 490047387 /nfs/dbraw/zinc/04/73/87/490047387.db2.gz OTWNBSZJOKWXDN-MRVPVSSYSA-N 0 3 198.335 2.587 20 0 AFADHN CC[C@H](C)CNCc1ncc(C)s1 129017741 490047638 /nfs/dbraw/zinc/04/76/38/490047638.db2.gz OTWNBSZJOKWXDN-QMMMGPOBSA-N 0 3 198.335 2.587 20 0 AFADHN CC[C@@H](C)CNc1cc(OC)ccn1 129139056 490048401 /nfs/dbraw/zinc/04/84/01/490048401.db2.gz WGYHLASJHOCLDY-SECBINFHSA-N 0 3 194.278 2.548 20 0 AFADHN CC[C@H](C)CNc1cc(OC)ccn1 129139235 490048602 /nfs/dbraw/zinc/04/86/02/490048602.db2.gz WGYHLASJHOCLDY-VIFPVBQESA-N 0 3 194.278 2.548 20 0 AFADHN CCN(C)Cc1ccc(C)s1 204605884 490065108 /nfs/dbraw/zinc/06/51/08/490065108.db2.gz COWXIVWLIVJQHC-UHFFFAOYSA-N 0 3 169.293 2.508 20 0 AFADHN CCCCCN(C)Cc1ccccn1 207070882 490065774 /nfs/dbraw/zinc/06/57/74/490065774.db2.gz LDKYIVYUYLETEE-UHFFFAOYSA-N 0 3 192.306 2.704 20 0 AFADHN CC(C)CC[C@H](C)NCc1ccno1 219177298 490071367 /nfs/dbraw/zinc/07/13/67/490071367.db2.gz TZAFPFMHESPGDP-JTQLQIEISA-N 0 3 196.294 2.589 20 0 AFADHN CC(C)CC[C@@H](C)NCc1ccno1 219177227 490071432 /nfs/dbraw/zinc/07/14/32/490071432.db2.gz TZAFPFMHESPGDP-SNVBAGLBSA-N 0 3 196.294 2.589 20 0 AFADHN CC(C)=CCNCc1ccc(F)cc1 219195688 490071679 /nfs/dbraw/zinc/07/16/79/490071679.db2.gz PSAWZJZZRYSTOX-UHFFFAOYSA-N 0 3 193.265 2.882 20 0 AFADHN CCCCCN(C)Cc1cccnc1 219064353 490071838 /nfs/dbraw/zinc/07/18/38/490071838.db2.gz XZZBMMNFNQCXLC-UHFFFAOYSA-N 0 3 192.306 2.704 20 0 AFADHN CC(C)=CCN[C@@H](C)c1cccnc1 219398667 490072277 /nfs/dbraw/zinc/07/22/77/490072277.db2.gz XLLJWNNOPHQOQZ-NSHDSACASA-N 0 3 190.290 2.698 20 0 AFADHN CC(C)=CCNCc1ccccc1F 219222271 490072316 /nfs/dbraw/zinc/07/23/16/490072316.db2.gz JFXFCDNHDAFSKB-UHFFFAOYSA-N 0 3 193.265 2.882 20 0 AFADHN CC(C)=CCN[C@H](C)c1ccccn1 219357894 490072327 /nfs/dbraw/zinc/07/23/27/490072327.db2.gz YHHFAFNSGRVMBI-LLVKDONJSA-N 0 3 190.290 2.698 20 0 AFADHN CC(C)=CCN[C@H](C)c1ccncc1 219358082 490072333 /nfs/dbraw/zinc/07/23/33/490072333.db2.gz DBAAPPXBECAOCO-LLVKDONJSA-N 0 3 190.290 2.698 20 0 AFADHN CC(C)=CCN[C@H](C)c1cccnc1 219398741 490072399 /nfs/dbraw/zinc/07/23/99/490072399.db2.gz XLLJWNNOPHQOQZ-LLVKDONJSA-N 0 3 190.290 2.698 20 0 AFADHN CC(C)=CCN[C@@H](C)c1ccncc1 219358000 490072676 /nfs/dbraw/zinc/07/26/76/490072676.db2.gz DBAAPPXBECAOCO-NSHDSACASA-N 0 3 190.290 2.698 20 0 AFADHN CC(C)=CCN[C@@H](C)c1ccccn1 219357810 490072790 /nfs/dbraw/zinc/07/27/90/490072790.db2.gz YHHFAFNSGRVMBI-NSHDSACASA-N 0 3 190.290 2.698 20 0 AFADHN CCCN(C)Cc1ccc(Cl)cn1 219941439 490073431 /nfs/dbraw/zinc/07/34/31/490073431.db2.gz LUKRNQSNQFDJIO-UHFFFAOYSA-N 0 3 198.697 2.577 20 0 AFADHN Cc1occc1CN(C)C[C@@H]1C[C@H]1C 683110298 490173471 /nfs/dbraw/zinc/17/34/71/490173471.db2.gz LQHKXYPVWTULAL-SKDRFNHKSA-N 0 3 193.290 2.676 20 0 AFADHN Cc1occc1CN(C)C[C@@H]1C[C@@H]1C 683110294 490173802 /nfs/dbraw/zinc/17/38/02/490173802.db2.gz LQHKXYPVWTULAL-CABZTGNLSA-N 0 3 193.290 2.676 20 0 AFADHN Cc1occc1CN(C)C[C@H]1C[C@@H]1C 683110296 490173888 /nfs/dbraw/zinc/17/38/88/490173888.db2.gz LQHKXYPVWTULAL-JOYOIKCWSA-N 0 3 193.290 2.676 20 0 AFADHN Cc1occc1CN(C)C[C@H]1C[C@H]1C 683110292 490174073 /nfs/dbraw/zinc/17/40/73/490174073.db2.gz LQHKXYPVWTULAL-BXKDBHETSA-N 0 3 193.290 2.676 20 0 AFADHN CC(C)NCc1scnc1C1CC1 82435024 491022180 /nfs/dbraw/zinc/02/21/80/491022180.db2.gz ZHJOMMFUNNDUKI-UHFFFAOYSA-N 0 3 196.319 2.519 20 0 AFADHN CC[C@@H](NCc1ccco1)C1CC1 83053939 491023203 /nfs/dbraw/zinc/02/32/03/491023203.db2.gz VZIFQGKBGFGQPE-LLVKDONJSA-N 0 3 179.263 2.558 20 0 AFADHN CC[C@H](NCc1ccco1)C1CC1 83053937 491023275 /nfs/dbraw/zinc/02/32/75/491023275.db2.gz VZIFQGKBGFGQPE-NSHDSACASA-N 0 3 179.263 2.558 20 0 AFADHN CCCCN[C@@H](C)c1c(C)noc1C 86109752 491028172 /nfs/dbraw/zinc/02/81/72/491028172.db2.gz GTGNOINRCZWVPS-QMMMGPOBSA-N 0 3 196.294 2.742 20 0 AFADHN C[C@H](NCC1CCC1)c1nccs1 83142625 491023561 /nfs/dbraw/zinc/02/35/61/491023561.db2.gz MQNNLDVPYJKCML-QMMMGPOBSA-N 0 3 196.319 2.594 20 0 AFADHN C[C@@H](NCC1CCC1)c1nccs1 83142629 491023609 /nfs/dbraw/zinc/02/36/09/491023609.db2.gz MQNNLDVPYJKCML-MRVPVSSYSA-N 0 3 196.319 2.594 20 0 AFADHN CC[C@@H](C)N[C@H](C)c1c(C)noc1C 86109854 491028196 /nfs/dbraw/zinc/02/81/96/491028196.db2.gz ZZPDEOCXCNQTOR-HTQZYQBOSA-N 0 3 196.294 2.741 20 0 AFADHN CC[C@H](C)N[C@@H](C)c1c(C)noc1C 86109852 491028235 /nfs/dbraw/zinc/02/82/35/491028235.db2.gz ZZPDEOCXCNQTOR-YUMQZZPRSA-N 0 3 196.294 2.741 20 0 AFADHN CC[C@@H](C)N[C@@H](C)c1c(C)noc1C 86109851 491028247 /nfs/dbraw/zinc/02/82/47/491028247.db2.gz ZZPDEOCXCNQTOR-SFYZADRCSA-N 0 3 196.294 2.741 20 0 AFADHN CCCCN[C@H](C)c1c(C)noc1C 86109753 491028255 /nfs/dbraw/zinc/02/82/55/491028255.db2.gz GTGNOINRCZWVPS-MRVPVSSYSA-N 0 3 196.294 2.742 20 0 AFADHN CC[C@H](C)N[C@H](C)c1c(C)noc1C 86109855 491028257 /nfs/dbraw/zinc/02/82/57/491028257.db2.gz ZZPDEOCXCNQTOR-JGVFFNPUSA-N 0 3 196.294 2.741 20 0 AFADHN Cc1noc(C)c1[C@@H](C)NCC(C)C 86109861 491028263 /nfs/dbraw/zinc/02/82/63/491028263.db2.gz TTXBVONXAXCCKM-MRVPVSSYSA-N 0 3 196.294 2.598 20 0 AFADHN Cc1noc(C)c1[C@H](C)NCC(C)C 86109863 491028384 /nfs/dbraw/zinc/02/83/84/491028384.db2.gz TTXBVONXAXCCKM-QMMMGPOBSA-N 0 3 196.294 2.598 20 0 AFADHN C[C@H](NCCC1CC1)c1ccco1 83893530 491025487 /nfs/dbraw/zinc/02/54/87/491025487.db2.gz CHZDXYZVLINUAD-VIFPVBQESA-N 0 3 179.263 2.730 20 0 AFADHN C[C@@H](NCCC1CC1)c1ccccn1 83893527 491025499 /nfs/dbraw/zinc/02/54/99/491025499.db2.gz JRNISFONICVXCB-SNVBAGLBSA-N 0 3 190.290 2.532 20 0 AFADHN C[C@H](NCCC1CC1)c1ccccn1 83893526 491025503 /nfs/dbraw/zinc/02/55/03/491025503.db2.gz JRNISFONICVXCB-JTQLQIEISA-N 0 3 190.290 2.532 20 0 AFADHN C[C@@H](NCCC1CC1)c1ccco1 83893531 491025520 /nfs/dbraw/zinc/02/55/20/491025520.db2.gz CHZDXYZVLINUAD-SECBINFHSA-N 0 3 179.263 2.730 20 0 AFADHN C[C@@H](NCCC1CC1)c1nccs1 83893867 491025636 /nfs/dbraw/zinc/02/56/36/491025636.db2.gz UDABWXJQSGNSRC-MRVPVSSYSA-N 0 3 196.319 2.594 20 0 AFADHN C[C@H](NCCC1CC1)c1nccs1 83893866 491025658 /nfs/dbraw/zinc/02/56/58/491025658.db2.gz UDABWXJQSGNSRC-QMMMGPOBSA-N 0 3 196.319 2.594 20 0 AFADHN CCc1ccc(CNCCC2CC2)o1 83893721 491025665 /nfs/dbraw/zinc/02/56/65/491025665.db2.gz XGCLEAZOKCDRPR-UHFFFAOYSA-N 0 3 193.290 2.732 20 0 AFADHN CCCN[C@H](CC)c1ccc(F)cn1 86706435 491029226 /nfs/dbraw/zinc/02/92/26/491029226.db2.gz XTBDZTRPPNKHLC-SNVBAGLBSA-N 0 3 196.269 2.671 20 0 AFADHN CCCN[C@@H](CC)c1ccc(F)cn1 86706434 491029285 /nfs/dbraw/zinc/02/92/85/491029285.db2.gz XTBDZTRPPNKHLC-JTQLQIEISA-N 0 3 196.269 2.671 20 0 AFADHN CC1(C)CCC[C@@H]1NCc1ccco1 86831094 491029348 /nfs/dbraw/zinc/02/93/48/491029348.db2.gz ILOANYCXMTXCDC-NSHDSACASA-N 0 3 193.290 2.948 20 0 AFADHN CC1(C)CCC[C@H]1NCc1ccco1 86831095 491029420 /nfs/dbraw/zinc/02/94/20/491029420.db2.gz ILOANYCXMTXCDC-LLVKDONJSA-N 0 3 193.290 2.948 20 0 AFADHN CCc1ccc(CNC2CC=CC2)o1 131322045 491034588 /nfs/dbraw/zinc/03/45/88/491034588.db2.gz PVSPRFVHTAIZNC-UHFFFAOYSA-N 0 3 191.274 2.650 20 0 AFADHN CCCN[C@H](C)c1ccc(Cl)cn1 87286332 491030216 /nfs/dbraw/zinc/03/02/16/491030216.db2.gz AFMBQFVEPXSNDX-MRVPVSSYSA-N 0 3 198.697 2.796 20 0 AFADHN CCCN[C@@H](C)c1ccc(Cl)cn1 87286331 491030287 /nfs/dbraw/zinc/03/02/87/491030287.db2.gz AFMBQFVEPXSNDX-QMMMGPOBSA-N 0 3 198.697 2.796 20 0 AFADHN CCCCN[C@@H](C)c1ccoc1 87289436 491030369 /nfs/dbraw/zinc/03/03/69/491030369.db2.gz NYLZUCBJYJSLPD-VIFPVBQESA-N 0 3 167.252 2.730 20 0 AFADHN CCCCN[C@H](C)c1ccoc1 87289437 491030516 /nfs/dbraw/zinc/03/05/16/491030516.db2.gz NYLZUCBJYJSLPD-SECBINFHSA-N 0 3 167.252 2.730 20 0 AFADHN CCCNCc1sccc1Cl 87622522 491031560 /nfs/dbraw/zinc/03/15/60/491031560.db2.gz SKQMICWAMDZMCJ-UHFFFAOYSA-N 0 3 189.711 2.901 20 0 AFADHN CCc1ccc([C@H](C)NCCF)cc1 87689865 491031757 /nfs/dbraw/zinc/03/17/57/491031757.db2.gz JNCDFSCWSMXSMQ-JTQLQIEISA-N 0 3 195.281 2.869 20 0 AFADHN CC1(C)CC[C@H](NCc2ccco2)C1 87769120 491031812 /nfs/dbraw/zinc/03/18/12/491031812.db2.gz BABJXDWTPDSYTK-JTQLQIEISA-N 0 3 193.290 2.948 20 0 AFADHN CCc1ccc([C@@H](C)NCCF)cc1 87689864 491031823 /nfs/dbraw/zinc/03/18/23/491031823.db2.gz JNCDFSCWSMXSMQ-SNVBAGLBSA-N 0 3 195.281 2.869 20 0 AFADHN CC1(C)CC[C@@H](NCc2ccco2)C1 87769122 491031829 /nfs/dbraw/zinc/03/18/29/491031829.db2.gz BABJXDWTPDSYTK-SNVBAGLBSA-N 0 3 193.290 2.948 20 0 AFADHN CC[C@H](NCCF)c1cccs1 87774952 491031955 /nfs/dbraw/zinc/03/19/55/491031955.db2.gz VWBMMBFSEXFAGI-QMMMGPOBSA-N 0 3 187.283 2.758 20 0 AFADHN C[C@@H](CCc1ccccc1)NCCF 87774992 491032000 /nfs/dbraw/zinc/03/20/00/491032000.db2.gz SBXZHULXUOFROG-NSHDSACASA-N 0 3 195.281 2.567 20 0 AFADHN Cc1ccc([C@H](C)NCCF)cc1 87774962 491032013 /nfs/dbraw/zinc/03/20/13/491032013.db2.gz NJQAXAPRYUZXMX-JTQLQIEISA-N 0 3 181.254 2.615 20 0 AFADHN C[C@H](CCc1ccccc1)NCCF 87774993 491032034 /nfs/dbraw/zinc/03/20/34/491032034.db2.gz SBXZHULXUOFROG-LLVKDONJSA-N 0 3 195.281 2.567 20 0 AFADHN Cc1ccc([C@@H](C)NCCF)cc1 87774961 491032039 /nfs/dbraw/zinc/03/20/39/491032039.db2.gz NJQAXAPRYUZXMX-SNVBAGLBSA-N 0 3 181.254 2.615 20 0 AFADHN CC(C)(CNCCF)c1ccccc1 87774823 491032068 /nfs/dbraw/zinc/03/20/68/491032068.db2.gz KTXLQFCDLJMVJA-UHFFFAOYSA-N 0 3 195.281 2.523 20 0 AFADHN CC[C@@H](NCCF)c1cccs1 87774953 491032105 /nfs/dbraw/zinc/03/21/05/491032105.db2.gz VWBMMBFSEXFAGI-MRVPVSSYSA-N 0 3 187.283 2.758 20 0 AFADHN CCC[C@@H](C)NCc1ccc(C)cn1 87782024 491032122 /nfs/dbraw/zinc/03/21/22/491032122.db2.gz UOPZMGUCYFTNOF-LLVKDONJSA-N 0 3 192.306 2.668 20 0 AFADHN C[C@H](CCNCCF)c1ccccc1 87775128 491032137 /nfs/dbraw/zinc/03/21/37/491032137.db2.gz RLPKPNWFYRGJKZ-LLVKDONJSA-N 0 3 195.281 2.739 20 0 AFADHN CCC[C@H](C)NCc1ccc(C)cn1 87782026 491032194 /nfs/dbraw/zinc/03/21/94/491032194.db2.gz UOPZMGUCYFTNOF-NSHDSACASA-N 0 3 192.306 2.668 20 0 AFADHN C[C@@H](CCNCCF)c1ccccc1 87775127 491032253 /nfs/dbraw/zinc/03/22/53/491032253.db2.gz RLPKPNWFYRGJKZ-NSHDSACASA-N 0 3 195.281 2.739 20 0 AFADHN CCCCCNCc1ccc(C)cn1 87782102 491032283 /nfs/dbraw/zinc/03/22/83/491032283.db2.gz OIRVFUFKNIXSCN-UHFFFAOYSA-N 0 3 192.306 2.670 20 0 AFADHN Cc1ccc(CNCC(C)(C)C)nc1 87782305 491032383 /nfs/dbraw/zinc/03/23/83/491032383.db2.gz PFYZFFHZBCIZFQ-UHFFFAOYSA-N 0 3 192.306 2.526 20 0 AFADHN Cc1ccc(CNCCC(C)C)nc1 87782080 491032395 /nfs/dbraw/zinc/03/23/95/491032395.db2.gz WSNNHVIUHXPTAQ-UHFFFAOYSA-N 0 3 192.306 2.526 20 0 AFADHN C[C@H](NCCCF)c1ccccc1F 88024723 491032569 /nfs/dbraw/zinc/03/25/69/491032569.db2.gz DJIWVUWGLRYVCE-VIFPVBQESA-N 0 3 199.244 2.836 20 0 AFADHN C[C@@H](NCCCF)c1ccccc1F 88024724 491032631 /nfs/dbraw/zinc/03/26/31/491032631.db2.gz DJIWVUWGLRYVCE-SECBINFHSA-N 0 3 199.244 2.836 20 0 AFADHN Cc1ccc([C@@H](C)NCCCF)o1 88024621 491032670 /nfs/dbraw/zinc/03/26/70/491032670.db2.gz BXUCOYKJGXJMNA-SECBINFHSA-N 0 3 185.242 2.598 20 0 AFADHN Cc1ccc([C@H](C)NCCCF)o1 88024622 491032672 /nfs/dbraw/zinc/03/26/72/491032672.db2.gz BXUCOYKJGXJMNA-VIFPVBQESA-N 0 3 185.242 2.598 20 0 AFADHN Cc1cc([C@@H](C)NCCCF)c(C)o1 88024790 491032678 /nfs/dbraw/zinc/03/26/78/491032678.db2.gz QHJYTZBVYCSGFJ-SECBINFHSA-N 0 3 199.269 2.907 20 0 AFADHN Cc1cc([C@H](C)NCCCF)c(C)o1 88024791 491032756 /nfs/dbraw/zinc/03/27/56/491032756.db2.gz QHJYTZBVYCSGFJ-VIFPVBQESA-N 0 3 199.269 2.907 20 0 AFADHN Cc1cccc([C@@H](C)NCCF)c1 88162232 491033250 /nfs/dbraw/zinc/03/32/50/491033250.db2.gz SEWVPTCIRRILNP-SNVBAGLBSA-N 0 3 181.254 2.615 20 0 AFADHN Cc1cccc([C@H](C)NCCF)c1 88162286 491033313 /nfs/dbraw/zinc/03/33/13/491033313.db2.gz SEWVPTCIRRILNP-JTQLQIEISA-N 0 3 181.254 2.615 20 0 AFADHN Clc1ccc(CNC2CC=CC2)o1 131201999 491034501 /nfs/dbraw/zinc/03/45/01/491034501.db2.gz ZZFAKVYJZCMQSG-UHFFFAOYSA-N 0 3 197.665 2.741 20 0 AFADHN Fc1ccccc1CNC1CC=CC1 131182170 491034566 /nfs/dbraw/zinc/03/45/66/491034566.db2.gz HYUPRQJFYAMCLF-UHFFFAOYSA-N 0 3 191.249 2.634 20 0 AFADHN CCc1ccc(CNC2CC(C)C2)o1 131273691 491034670 /nfs/dbraw/zinc/03/46/70/491034670.db2.gz FQKHPTJRMIBYTM-UHFFFAOYSA-N 0 3 193.290 2.730 20 0 AFADHN CCCCN[C@H](C)c1cncs1 131915294 491035548 /nfs/dbraw/zinc/03/55/48/491035548.db2.gz GRZANQUVKYKTAJ-MRVPVSSYSA-N 0 3 184.308 2.594 20 0 AFADHN CCCCN[C@@H](C)c1cncs1 131915097 491035574 /nfs/dbraw/zinc/03/55/74/491035574.db2.gz GRZANQUVKYKTAJ-QMMMGPOBSA-N 0 3 184.308 2.594 20 0 AFADHN C[C@H](NCc1ccco1)C1CCC1 132011302 491035776 /nfs/dbraw/zinc/03/57/76/491035776.db2.gz VQIQLXSZDOJFDC-VIFPVBQESA-N 0 3 179.263 2.558 20 0 AFADHN C[C@@H](NCc1ccco1)C1CCC1 132011519 491035782 /nfs/dbraw/zinc/03/57/82/491035782.db2.gz VQIQLXSZDOJFDC-SECBINFHSA-N 0 3 179.263 2.558 20 0 AFADHN CCCCCN[C@H](C)c1cncs1 132030209 491035860 /nfs/dbraw/zinc/03/58/60/491035860.db2.gz ZPZAGJGNDSQWDI-SECBINFHSA-N 0 3 198.335 2.984 20 0 AFADHN CC[C@@H](C)N[C@H](C)c1cncs1 132023837 491035955 /nfs/dbraw/zinc/03/59/55/491035955.db2.gz LWRCFCKKSABPFA-HTQZYQBOSA-N 0 3 184.308 2.592 20 0 AFADHN CC[C@H](C)N[C@H](C)c1cncs1 132024045 491035973 /nfs/dbraw/zinc/03/59/73/491035973.db2.gz LWRCFCKKSABPFA-JGVFFNPUSA-N 0 3 184.308 2.592 20 0 AFADHN CC[C@H](C)N[C@@H](C)c1cncs1 132023636 491035982 /nfs/dbraw/zinc/03/59/82/491035982.db2.gz LWRCFCKKSABPFA-YUMQZZPRSA-N 0 3 184.308 2.592 20 0 AFADHN CC[C@@H](C)N[C@@H](C)c1cncs1 132023445 491035992 /nfs/dbraw/zinc/03/59/92/491035992.db2.gz LWRCFCKKSABPFA-SFYZADRCSA-N 0 3 184.308 2.592 20 0 AFADHN CCCCCN[C@@H](C)c1cncs1 132029992 491035997 /nfs/dbraw/zinc/03/59/97/491035997.db2.gz ZPZAGJGNDSQWDI-VIFPVBQESA-N 0 3 198.335 2.984 20 0 AFADHN CC[C@@H](NC(C)C)c1c(C)noc1C 132943879 491037074 /nfs/dbraw/zinc/03/70/74/491037074.db2.gz MJVCENAVXQOWPY-SNVBAGLBSA-N 0 3 196.294 2.741 20 0 AFADHN CCCNCc1ncc(C(C)C)s1 132372681 491036301 /nfs/dbraw/zinc/03/63/01/491036301.db2.gz YHLMIMCFGAPQOR-UHFFFAOYSA-N 0 3 198.335 2.766 20 0 AFADHN CC(C)NCc1ncc(C(C)C)s1 132373076 491036359 /nfs/dbraw/zinc/03/63/59/491036359.db2.gz LAEYRMMWMFQNKW-UHFFFAOYSA-N 0 3 198.335 2.765 20 0 AFADHN CC[C@H](NC(C)C)c1c(C)noc1C 132943683 491037175 /nfs/dbraw/zinc/03/71/75/491037175.db2.gz MJVCENAVXQOWPY-JTQLQIEISA-N 0 3 196.294 2.741 20 0 AFADHN CCc1nc([C@@H](C)NC(C)C)cs1 132752465 491036753 /nfs/dbraw/zinc/03/67/53/491036753.db2.gz PSOAPMPNBCQPOH-MRVPVSSYSA-N 0 3 198.335 2.765 20 0 AFADHN CCc1nc([C@H](C)NC(C)C)cs1 132752662 491036782 /nfs/dbraw/zinc/03/67/82/491036782.db2.gz PSOAPMPNBCQPOH-QMMMGPOBSA-N 0 3 198.335 2.765 20 0 AFADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1ccco1 132789819 491036858 /nfs/dbraw/zinc/03/68/58/491036858.db2.gz NEUSEABFAXLGBZ-GUBZILKMSA-N 0 3 179.263 2.586 20 0 AFADHN C[C@H](NC[C@@H]1C[C@H]1C)c1ccco1 132789621 491036873 /nfs/dbraw/zinc/03/68/73/491036873.db2.gz NEUSEABFAXLGBZ-UTLUCORTSA-N 0 3 179.263 2.586 20 0 AFADHN C[C@H](NC[C@H]1C[C@@H]1C)c1ccco1 132789437 491036876 /nfs/dbraw/zinc/03/68/76/491036876.db2.gz NEUSEABFAXLGBZ-LPEHRKFASA-N 0 3 179.263 2.586 20 0 AFADHN C[C@H](NC[C@H]1C[C@H]1C)c1ccco1 132789234 491036937 /nfs/dbraw/zinc/03/69/37/491036937.db2.gz NEUSEABFAXLGBZ-KXUCPTDWSA-N 0 3 179.263 2.586 20 0 AFADHN CC[C@@H](C)N[C@@H](C)c1ccc(F)cn1 133779040 491038166 /nfs/dbraw/zinc/03/81/66/491038166.db2.gz QEJJCAJOPWKLPQ-BDAKNGLRSA-N 0 3 196.269 2.670 20 0 AFADHN CC(C)CN[C@@H](C)c1ccc(F)cn1 133779846 491038209 /nfs/dbraw/zinc/03/82/09/491038209.db2.gz WJWFJVWOVZUUDZ-VIFPVBQESA-N 0 3 196.269 2.527 20 0 AFADHN CCCCN[C@H](C)c1ccc(F)cn1 133792642 491038219 /nfs/dbraw/zinc/03/82/19/491038219.db2.gz VXAZFMKXSRPUHC-SECBINFHSA-N 0 3 196.269 2.671 20 0 AFADHN CC[C@@H](C)N[C@H](C)c1ccc(F)cn1 133779441 491038221 /nfs/dbraw/zinc/03/82/21/491038221.db2.gz QEJJCAJOPWKLPQ-RKDXNWHRSA-N 0 3 196.269 2.670 20 0 AFADHN CC[C@H](C)N[C@@H](C)c1ccc(F)cn1 133779251 491038226 /nfs/dbraw/zinc/03/82/26/491038226.db2.gz QEJJCAJOPWKLPQ-IUCAKERBSA-N 0 3 196.269 2.670 20 0 AFADHN CC(C)CN[C@H](C)c1ccc(F)cn1 133780080 491038265 /nfs/dbraw/zinc/03/82/65/491038265.db2.gz WJWFJVWOVZUUDZ-SECBINFHSA-N 0 3 196.269 2.527 20 0 AFADHN CCCCN[C@@H](C)c1ccc(F)cn1 133792468 491038268 /nfs/dbraw/zinc/03/82/68/491038268.db2.gz VXAZFMKXSRPUHC-VIFPVBQESA-N 0 3 196.269 2.671 20 0 AFADHN CC[C@H](C)N[C@H](C)c1ccc(F)cn1 133779623 491038272 /nfs/dbraw/zinc/03/82/72/491038272.db2.gz QEJJCAJOPWKLPQ-DTWKUNHWSA-N 0 3 196.269 2.670 20 0 AFADHN CCCN[C@@H](C)c1ncccc1CC 134623733 491039214 /nfs/dbraw/zinc/03/92/14/491039214.db2.gz JOVWQMXQFVRGMP-JTQLQIEISA-N 0 3 192.306 2.705 20 0 AFADHN CCCN[C@H](C)c1ncccc1CC 134623754 491039280 /nfs/dbraw/zinc/03/92/80/491039280.db2.gz JOVWQMXQFVRGMP-SNVBAGLBSA-N 0 3 192.306 2.705 20 0 AFADHN CCC[C@@H](NC1CC1)c1cccnc1 134901188 491039455 /nfs/dbraw/zinc/03/94/55/491039455.db2.gz WTKOLGGVASAKQM-GFCCVEGCSA-N 0 3 190.290 2.675 20 0 AFADHN C[C@H](NC[C@@H]1CC1(C)C)c1ccco1 222049424 491040755 /nfs/dbraw/zinc/04/07/55/491040755.db2.gz DCRXIWWRVMOQCR-UWVGGRQHSA-N 0 3 193.290 2.976 20 0 AFADHN CCC[C@H](NC1CC1)c1cccnc1 134901166 491039524 /nfs/dbraw/zinc/03/95/24/491039524.db2.gz WTKOLGGVASAKQM-LBPRGKRZSA-N 0 3 190.290 2.675 20 0 AFADHN C[C@H](NC[C@H]1CC1(C)C)c1ccco1 222049539 491040781 /nfs/dbraw/zinc/04/07/81/491040781.db2.gz DCRXIWWRVMOQCR-VHSXEESVSA-N 0 3 193.290 2.976 20 0 AFADHN C[C@@H](NC[C@H]1CC1(C)C)c1ccco1 222049481 491040808 /nfs/dbraw/zinc/04/08/08/491040808.db2.gz DCRXIWWRVMOQCR-NXEZZACHSA-N 0 3 193.290 2.976 20 0 AFADHN CC(=O)CN(CC(C)C)CC(C)(C)C 199907477 491040194 /nfs/dbraw/zinc/04/01/94/491040194.db2.gz PSMUAOIPEDHYQA-UHFFFAOYSA-N 0 3 199.338 2.580 20 0 AFADHN C[C@@H](NC[C@@H]1CC1(C)C)c1ccco1 222049371 491040833 /nfs/dbraw/zinc/04/08/33/491040833.db2.gz DCRXIWWRVMOQCR-ZJUUUORDSA-N 0 3 193.290 2.976 20 0 AFADHN C[C@@H](NCC1(C)CC1)c1ccccn1 222180573 491040852 /nfs/dbraw/zinc/04/08/52/491040852.db2.gz IIAXKWBHBYQSNE-SNVBAGLBSA-N 0 3 190.290 2.532 20 0 AFADHN C[C@@H](NCC1(C)CC1)c1nccs1 222181708 491040860 /nfs/dbraw/zinc/04/08/60/491040860.db2.gz UGOHKRFZHWEGOT-MRVPVSSYSA-N 0 3 196.319 2.594 20 0 AFADHN C[C@H](NCC1(C)CC1)c1cncs1 222197014 491040863 /nfs/dbraw/zinc/04/08/63/491040863.db2.gz YVDPPMBJIWMXEF-QMMMGPOBSA-N 0 3 196.319 2.594 20 0 AFADHN C[C@H](NCC1(C)CC1)c1ccccn1 222180616 491040882 /nfs/dbraw/zinc/04/08/82/491040882.db2.gz IIAXKWBHBYQSNE-JTQLQIEISA-N 0 3 190.290 2.532 20 0 AFADHN C[C@H](NCC1(C)CC1)c1ccco1 222191151 491040890 /nfs/dbraw/zinc/04/08/90/491040890.db2.gz UFXMMNZSZMZJFX-VIFPVBQESA-N 0 3 179.263 2.730 20 0 AFADHN C[C@H](NCC1(C)CC1)c1nccs1 222181758 491040896 /nfs/dbraw/zinc/04/08/96/491040896.db2.gz UGOHKRFZHWEGOT-QMMMGPOBSA-N 0 3 196.319 2.594 20 0 AFADHN C[C@@H](NCC1(C)CC1)c1cncs1 222196960 491040916 /nfs/dbraw/zinc/04/09/16/491040916.db2.gz YVDPPMBJIWMXEF-MRVPVSSYSA-N 0 3 196.319 2.594 20 0 AFADHN C[C@@H](NCC1(C)CC1)c1ccco1 222191091 491040919 /nfs/dbraw/zinc/04/09/19/491040919.db2.gz UFXMMNZSZMZJFX-SECBINFHSA-N 0 3 179.263 2.730 20 0 AFADHN C[C@H](NCC1(C)CC1)c1ccoc1 222185353 491040942 /nfs/dbraw/zinc/04/09/42/491040942.db2.gz USRZXPFDRJACLJ-VIFPVBQESA-N 0 3 179.263 2.730 20 0 AFADHN C[C@@H](NCC1(C)CC1)c1ccoc1 222185295 491040948 /nfs/dbraw/zinc/04/09/48/491040948.db2.gz USRZXPFDRJACLJ-SECBINFHSA-N 0 3 179.263 2.730 20 0 AFADHN CC1(CNCc2ccccc2F)CC1 224180794 491041511 /nfs/dbraw/zinc/04/15/11/491041511.db2.gz LYUUFDZUMWJGFX-UHFFFAOYSA-N 0 3 193.265 2.715 20 0 AFADHN CC1(CNCc2ccc(Cl)o2)CC1 224168805 491041578 /nfs/dbraw/zinc/04/15/78/491041578.db2.gz CXFYBADNYOIZRG-UHFFFAOYSA-N 0 3 199.681 2.823 20 0 AFADHN CCC[C@@H](CC)NCc1cc(C)no1 224626729 491041876 /nfs/dbraw/zinc/04/18/76/491041876.db2.gz SIASDYCQPKQHIS-SNVBAGLBSA-N 0 3 196.294 2.651 20 0 AFADHN CCC[C@H](CC)NCc1cc(C)no1 224626771 491041887 /nfs/dbraw/zinc/04/18/87/491041887.db2.gz SIASDYCQPKQHIS-JTQLQIEISA-N 0 3 196.294 2.651 20 0 AFADHN C[C@H]1CCC[C@H]1CNCc1ccco1 226579348 491042950 /nfs/dbraw/zinc/04/29/50/491042950.db2.gz KAVFRJQRXXEHBX-QWRGUYRKSA-N 0 3 193.290 2.805 20 0 AFADHN C[C@H]1CCC[C@@H]1CNCc1ccco1 226579340 491042962 /nfs/dbraw/zinc/04/29/62/491042962.db2.gz KAVFRJQRXXEHBX-WDEREUQCSA-N 0 3 193.290 2.805 20 0 AFADHN C[C@@H]1CCC[C@@H]1CNCc1ccco1 226579333 491042981 /nfs/dbraw/zinc/04/29/81/491042981.db2.gz KAVFRJQRXXEHBX-GHMZBOCLSA-N 0 3 193.290 2.805 20 0 AFADHN C[C@@H]1CCC[C@H]1CNCc1ccco1 226579344 491042985 /nfs/dbraw/zinc/04/29/85/491042985.db2.gz KAVFRJQRXXEHBX-MNOVXSKESA-N 0 3 193.290 2.805 20 0 AFADHN CC/C=C/CNCc1ccccc1 238221033 491045782 /nfs/dbraw/zinc/04/57/82/491045782.db2.gz SWBIDZOZWJZOHR-XVNBXDOJSA-N 0 3 175.275 2.742 20 0 AFADHN Cc1occc1CNC1CC(C)(C)C1 306157533 491045989 /nfs/dbraw/zinc/04/59/89/491045989.db2.gz CFMVBQJPRDNVKC-UHFFFAOYSA-N 0 3 193.290 2.866 20 0 AFADHN C[C@H](N[C@H]1CC[C@@H]1C)c1ccccn1 306178962 491046300 /nfs/dbraw/zinc/04/63/00/491046300.db2.gz HYHYKSNLOLVJQD-DCAQKATOSA-N 0 3 190.290 2.531 20 0 AFADHN C[C@H](N[C@@H]1CC[C@H]1C)c1ccccn1 306178965 491046307 /nfs/dbraw/zinc/04/63/07/491046307.db2.gz HYHYKSNLOLVJQD-OUAUKWLOSA-N 0 3 190.290 2.531 20 0 AFADHN C[C@H](N[C@@H]1CC[C@@H]1C)c1ccccn1 306178964 491046316 /nfs/dbraw/zinc/04/63/16/491046316.db2.gz HYHYKSNLOLVJQD-GARJFASQSA-N 0 3 190.290 2.531 20 0 AFADHN C[C@H](N[C@H]1CC[C@H]1C)c1ccccn1 306178966 491046330 /nfs/dbraw/zinc/04/63/30/491046330.db2.gz HYHYKSNLOLVJQD-VWYCJHECSA-N 0 3 190.290 2.531 20 0 AFADHN C[C@H]1CCCN(Cc2ccsc2)C1 306266691 491047456 /nfs/dbraw/zinc/04/74/56/491047456.db2.gz PUCSSTXXGGXMCH-JTQLQIEISA-N 0 3 195.331 2.980 20 0 AFADHN Cc1ccc([C@@H](C)NC2CC2)c(C)n1 306263469 491047511 /nfs/dbraw/zinc/04/75/11/491047511.db2.gz NHDJTZAIXSNSII-SNVBAGLBSA-N 0 3 190.290 2.511 20 0 AFADHN Cc1ccc([C@H](C)NC2CC2)c(C)n1 306263468 491047557 /nfs/dbraw/zinc/04/75/57/491047557.db2.gz NHDJTZAIXSNSII-JTQLQIEISA-N 0 3 190.290 2.511 20 0 AFADHN CC(C)[C@@H]1CCN1Cc1ccsc1 306336915 491048764 /nfs/dbraw/zinc/04/87/64/491048764.db2.gz HDQXXEIUFJGGEH-NSHDSACASA-N 0 3 195.331 2.978 20 0 AFADHN CC(C)[C@H]1CCN1Cc1ccsc1 306336913 491048846 /nfs/dbraw/zinc/04/88/46/491048846.db2.gz HDQXXEIUFJGGEH-LLVKDONJSA-N 0 3 195.331 2.978 20 0 AFADHN Cc1ccoc1CN[C@H]1CCC1(C)C 306352357 491049052 /nfs/dbraw/zinc/04/90/52/491049052.db2.gz AELLRUREBAUKHI-NSHDSACASA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccoc1CN[C@@H]1CCC1(C)C 306352356 491049071 /nfs/dbraw/zinc/04/90/71/491049071.db2.gz AELLRUREBAUKHI-LLVKDONJSA-N 0 3 193.290 2.866 20 0 AFADHN CC1=CCCN(Cc2cccs2)C1 306418910 491050724 /nfs/dbraw/zinc/05/07/24/491050724.db2.gz VWVNOHXWGXSZKC-UHFFFAOYSA-N 0 3 193.315 2.900 20 0 AFADHN CC(C)C1CN(Cc2cccs2)C1 306434416 491051019 /nfs/dbraw/zinc/05/10/19/491051019.db2.gz ZXWZOCNUEWXCPH-UHFFFAOYSA-N 0 3 195.331 2.836 20 0 AFADHN CC(C)C[C@H](C)N1CCC=C(F)C1 306433797 491051071 /nfs/dbraw/zinc/05/10/71/491051071.db2.gz XWOOJPYIANPGOD-JTQLQIEISA-N 0 3 185.286 2.980 20 0 AFADHN CC(C)C[C@@H](C)N1CCC=C(F)C1 306433798 491051080 /nfs/dbraw/zinc/05/10/80/491051080.db2.gz XWOOJPYIANPGOD-SNVBAGLBSA-N 0 3 185.286 2.980 20 0 AFADHN CCC[C@@H](C)N1CCC=C(F)C1 306488120 491052090 /nfs/dbraw/zinc/05/20/90/491052090.db2.gz KKPIJELNUWTTFM-SECBINFHSA-N 0 3 171.259 2.734 20 0 AFADHN CCC[C@H](C)N1CCC=C(F)C1 306488121 491052201 /nfs/dbraw/zinc/05/22/01/491052201.db2.gz KKPIJELNUWTTFM-VIFPVBQESA-N 0 3 171.259 2.734 20 0 AFADHN CC1=CCN(Cc2ccsc2)CC1 306694675 491054660 /nfs/dbraw/zinc/05/46/60/491054660.db2.gz TYEDIYUMNNRJMS-UHFFFAOYSA-N 0 3 193.315 2.900 20 0 AFADHN Cc1ncc([C@@H](C)NC2CCC2)s1 306759601 491055436 /nfs/dbraw/zinc/05/54/36/491055436.db2.gz PROKLJNRMIRIDB-SSDOTTSWSA-N 0 3 196.319 2.655 20 0 AFADHN Cc1ncc([C@H](C)NC2CCC2)s1 306759602 491055547 /nfs/dbraw/zinc/05/55/47/491055547.db2.gz PROKLJNRMIRIDB-ZETCQYMHSA-N 0 3 196.319 2.655 20 0 AFADHN Cc1cc(C)nc(NC[C@@H]2C[C@H]2C)c1 307135848 491058730 /nfs/dbraw/zinc/05/87/30/491058730.db2.gz RZMNUVNGQASWFV-KOLCDFICSA-N 0 3 190.290 2.766 20 0 AFADHN Cc1cc(C)nc(NC[C@@H]2C[C@@H]2C)c1 307135850 491058757 /nfs/dbraw/zinc/05/87/57/491058757.db2.gz RZMNUVNGQASWFV-ONGXEEELSA-N 0 3 190.290 2.766 20 0 AFADHN Cc1cc(C)nc(NC[C@H]2C[C@@H]2C)c1 307135847 491058814 /nfs/dbraw/zinc/05/88/14/491058814.db2.gz RZMNUVNGQASWFV-GXSJLCMTSA-N 0 3 190.290 2.766 20 0 AFADHN Cc1cc(C)nc(NC[C@H]2C[C@H]2C)c1 307135849 491058825 /nfs/dbraw/zinc/05/88/25/491058825.db2.gz RZMNUVNGQASWFV-MWLCHTKSSA-N 0 3 190.290 2.766 20 0 AFADHN FC1=CCCN(CC2CCCC2)C1 307577142 491064356 /nfs/dbraw/zinc/06/43/56/491064356.db2.gz LIKVEMKXYUBFPP-UHFFFAOYSA-N 0 3 183.270 2.736 20 0 AFADHN CCN1C[C@H](C(F)(F)F)CC[C@H]1C 307552324 491063904 /nfs/dbraw/zinc/06/39/04/491063904.db2.gz QEHYQQKHRQQGHY-HTQZYQBOSA-N 0 3 195.228 2.669 20 0 AFADHN CCN1C[C@@H](C(F)(F)F)CC[C@@H]1C 307552331 491063914 /nfs/dbraw/zinc/06/39/14/491063914.db2.gz QEHYQQKHRQQGHY-YUMQZZPRSA-N 0 3 195.228 2.669 20 0 AFADHN CCN1C[C@H](C(F)(F)F)CC[C@@H]1C 307552326 491063945 /nfs/dbraw/zinc/06/39/45/491063945.db2.gz QEHYQQKHRQQGHY-JGVFFNPUSA-N 0 3 195.228 2.669 20 0 AFADHN CCN1C[C@@H](C(F)(F)F)CC[C@H]1C 307552329 491063984 /nfs/dbraw/zinc/06/39/84/491063984.db2.gz QEHYQQKHRQQGHY-SFYZADRCSA-N 0 3 195.228 2.669 20 0 AFADHN CCCNCc1ccsc1Cl 307570823 491064243 /nfs/dbraw/zinc/06/42/43/491064243.db2.gz XBRMYNYERHILSA-UHFFFAOYSA-N 0 3 189.711 2.901 20 0 AFADHN Cc1ccc(CN[C@@H]2CCC2(C)C)o1 307569275 491064274 /nfs/dbraw/zinc/06/42/74/491064274.db2.gz WZCVNEUPIJHLJH-LLVKDONJSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccc(CN[C@H]2CCC2(C)C)o1 307569276 491064320 /nfs/dbraw/zinc/06/43/20/491064320.db2.gz WZCVNEUPIJHLJH-NSHDSACASA-N 0 3 193.290 2.866 20 0 AFADHN Cc1ccc(CN2CC=CCC2)s1 307588556 491064523 /nfs/dbraw/zinc/06/45/23/491064523.db2.gz XNIPDRCYOCJFBI-UHFFFAOYSA-N 0 3 193.315 2.818 20 0 AFADHN Cc1occc1CN[C@@H]1CCC1(C)C 307659958 491066618 /nfs/dbraw/zinc/06/66/18/491066618.db2.gz CAIXMSSSIUMYDF-LLVKDONJSA-N 0 3 193.290 2.866 20 0 AFADHN Cc1occc1CN[C@H]1CCC1(C)C 307659959 491066656 /nfs/dbraw/zinc/06/66/56/491066656.db2.gz CAIXMSSSIUMYDF-NSHDSACASA-N 0 3 193.290 2.866 20 0 AFADHN CC[C@H](C)N(C)Cc1ccoc1 307942151 491071956 /nfs/dbraw/zinc/07/19/56/491071956.db2.gz DCSYCBBPVLPNQS-VIFPVBQESA-N 0 3 167.252 2.510 20 0 AFADHN CC[C@@H](C)N(C)Cc1ccoc1 307942149 491071990 /nfs/dbraw/zinc/07/19/90/491071990.db2.gz DCSYCBBPVLPNQS-SECBINFHSA-N 0 3 167.252 2.510 20 0 AFADHN CCCCN(C)Cc1ccsc1 307979245 491074551 /nfs/dbraw/zinc/07/45/51/491074551.db2.gz NSOTVSLGICFHBN-UHFFFAOYSA-N 0 3 183.320 2.980 20 0 AFADHN CCCN(C)Cc1ccc(Cl)o1 308042005 491076760 /nfs/dbraw/zinc/07/67/60/491076760.db2.gz NVBJZMVKEJZXHU-UHFFFAOYSA-N 0 3 187.670 2.775 20 0 AFADHN Cc1ccc(CN[C@H](C)CF)s1 308055121 491077013 /nfs/dbraw/zinc/07/70/13/491077013.db2.gz UDZYOSMMNFMXHF-SSDOTTSWSA-N 0 3 187.283 2.504 20 0 AFADHN CC(C)CCN(C)Cc1cncs1 308164405 491082049 /nfs/dbraw/zinc/08/20/49/491082049.db2.gz WUFGCZRTBMEBHW-UHFFFAOYSA-N 0 3 198.335 2.621 20 0 AFADHN C[C@H]1C[C@@H]1CN(C)Cc1ccsc1 308136587 491079735 /nfs/dbraw/zinc/07/97/35/491079735.db2.gz ADVOLVBVWCKXMK-GXSJLCMTSA-N 0 3 195.331 2.836 20 0 AFADHN C[C@@H]1C[C@@H]1CN(C)Cc1ccsc1 308136590 491079741 /nfs/dbraw/zinc/07/97/41/491079741.db2.gz ADVOLVBVWCKXMK-MWLCHTKSSA-N 0 3 195.331 2.836 20 0 AFADHN CSc1ccc(CNC2CC2)s1 308137912 491079750 /nfs/dbraw/zinc/07/97/50/491079750.db2.gz FJTAGDLWUVYTFD-UHFFFAOYSA-N 0 3 199.344 2.722 20 0 AFADHN C[C@@H]1C[C@H]1CN(C)Cc1ccsc1 308136589 491079757 /nfs/dbraw/zinc/07/97/57/491079757.db2.gz ADVOLVBVWCKXMK-KOLCDFICSA-N 0 3 195.331 2.836 20 0 AFADHN CCC(C)(C)N(C)Cc1ccco1 308136544 491079869 /nfs/dbraw/zinc/07/98/69/491079869.db2.gz ACJITBARFXBKAB-UHFFFAOYSA-N 0 3 181.279 2.900 20 0 AFADHN C[C@H]1C[C@H]1CN(C)Cc1ccsc1 308136591 491079893 /nfs/dbraw/zinc/07/98/93/491079893.db2.gz ADVOLVBVWCKXMK-ONGXEEELSA-N 0 3 195.331 2.836 20 0 AFADHN CC(C)(C)CCN1CC(C(F)F)C1 308144125 491080528 /nfs/dbraw/zinc/08/05/28/491080528.db2.gz KKWQPLQXSBZVSC-UHFFFAOYSA-N 0 3 191.265 2.620 20 0 AFADHN CC(C)CCN(C)Cc1ccco1 308143769 491080650 /nfs/dbraw/zinc/08/06/50/491080650.db2.gz KHIOAAZVWOSUKI-UHFFFAOYSA-N 0 3 181.279 2.758 20 0 AFADHN FCCN[C@H](c1cccs1)C1CC1 308198172 491084001 /nfs/dbraw/zinc/08/40/01/491084001.db2.gz SOXQTEAWRNRENP-JTQLQIEISA-N 0 3 199.294 2.758 20 0 AFADHN FCCN[C@@H](c1cccs1)C1CC1 308198173 491084032 /nfs/dbraw/zinc/08/40/32/491084032.db2.gz SOXQTEAWRNRENP-SNVBAGLBSA-N 0 3 199.294 2.758 20 0 AFADHN CCc1ncc(CN(CC)CC)s1 308215362 491084942 /nfs/dbraw/zinc/08/49/42/491084942.db2.gz JCNGFCLKTRBTBX-UHFFFAOYSA-N 0 3 198.335 2.547 20 0 AFADHN CCCN(C)Cc1sccc1OC 308215959 491084966 /nfs/dbraw/zinc/08/49/66/491084966.db2.gz JINRLZHXOQZZPG-UHFFFAOYSA-N 0 3 199.319 2.599 20 0 AFADHN CCCCN(C)Cc1occc1C 308235324 491086707 /nfs/dbraw/zinc/08/67/07/491086707.db2.gz QQRIYLJHPDUKNA-UHFFFAOYSA-N 0 3 181.279 2.820 20 0 AFADHN CCCN(CC)Cc1occc1C 308246992 491087417 /nfs/dbraw/zinc/08/74/17/491087417.db2.gz WXBJZLLMJQIDGD-UHFFFAOYSA-N 0 3 181.279 2.820 20 0 AFADHN CCN(Cc1occc1C)C1CC1 308247673 491087753 /nfs/dbraw/zinc/08/77/53/491087753.db2.gz XZWFLVQXNWQZIZ-UHFFFAOYSA-N 0 3 179.263 2.572 20 0 AFADHN CC(C)=CCCNCc1cncs1 308251616 491088597 /nfs/dbraw/zinc/08/85/97/491088597.db2.gz FWHXIJJDOIAPHU-UHFFFAOYSA-N 0 3 196.319 2.589 20 0 AFADHN C[C@H](c1ccco1)N(C)CCCF 308252500 491088726 /nfs/dbraw/zinc/08/87/26/491088726.db2.gz ILKJJPHQLMQKSK-SECBINFHSA-N 0 3 185.242 2.632 20 0 AFADHN C[C@@H](c1ccco1)N(C)CCCF 308252501 491088792 /nfs/dbraw/zinc/08/87/92/491088792.db2.gz ILKJJPHQLMQKSK-VIFPVBQESA-N 0 3 185.242 2.632 20 0 AFADHN CC(C)=CCCNCc1nccs1 308275703 491091366 /nfs/dbraw/zinc/09/13/66/491091366.db2.gz VLRBVCAATGODJJ-UHFFFAOYSA-N 0 3 196.319 2.589 20 0 AFADHN CC[C@@H](C)N(C)Cc1occc1C 308307119 491095054 /nfs/dbraw/zinc/09/50/54/491095054.db2.gz OYFHETHZCRYISV-SNVBAGLBSA-N 0 3 181.279 2.818 20 0 AFADHN CC[C@H](C)N(C)Cc1occc1C 308307118 491095231 /nfs/dbraw/zinc/09/52/31/491095231.db2.gz OYFHETHZCRYISV-JTQLQIEISA-N 0 3 181.279 2.818 20 0 AFADHN CC[C@H](C)N(CC)Cc1ccoc1 308318124 491096341 /nfs/dbraw/zinc/09/63/41/491096341.db2.gz WYZIKUUKPFTHLF-JTQLQIEISA-N 0 3 181.279 2.900 20 0 AFADHN CC[C@@H](C)N(CC)Cc1ccoc1 308318125 491096438 /nfs/dbraw/zinc/09/64/38/491096438.db2.gz WYZIKUUKPFTHLF-SNVBAGLBSA-N 0 3 181.279 2.900 20 0 AFADHN CC[C@H]1CC[C@H]1NCc1ccoc1 308322937 491096654 /nfs/dbraw/zinc/09/66/54/491096654.db2.gz ZTEYGUZNBQMZSW-WDEREUQCSA-N 0 3 179.263 2.558 20 0 AFADHN CC[C@@H]1CC[C@@H]1NCc1ccoc1 308322935 491096661 /nfs/dbraw/zinc/09/66/61/491096661.db2.gz ZTEYGUZNBQMZSW-MNOVXSKESA-N 0 3 179.263 2.558 20 0 AFADHN CC[C@@H]1CC[C@H]1NCc1ccoc1 308322934 491096729 /nfs/dbraw/zinc/09/67/29/491096729.db2.gz ZTEYGUZNBQMZSW-GHMZBOCLSA-N 0 3 179.263 2.558 20 0 AFADHN CC[C@@H](C)N(C)Cc1ccc(C)o1 308321473 491096749 /nfs/dbraw/zinc/09/67/49/491096749.db2.gz YYZCTDIPOMWVBO-SECBINFHSA-N 0 3 181.279 2.818 20 0 AFADHN CC[C@H](C)N(C)Cc1ccc(C)o1 308321474 491096822 /nfs/dbraw/zinc/09/68/22/491096822.db2.gz YYZCTDIPOMWVBO-VIFPVBQESA-N 0 3 181.279 2.818 20 0 AFADHN CC[C@H]1CC[C@@H]1NCc1ccoc1 308322936 491096830 /nfs/dbraw/zinc/09/68/30/491096830.db2.gz ZTEYGUZNBQMZSW-QWRGUYRKSA-N 0 3 179.263 2.558 20 0 AFADHN COc1ccsc1[C@H](C)NC1CC1 308385265 491100098 /nfs/dbraw/zinc/10/00/98/491100098.db2.gz WNECUQRBHDUETR-ZETCQYMHSA-N 0 3 197.303 2.570 20 0 AFADHN COc1ccsc1[C@@H](C)NC1CC1 308385263 491100111 /nfs/dbraw/zinc/10/01/11/491100111.db2.gz WNECUQRBHDUETR-SSDOTTSWSA-N 0 3 197.303 2.570 20 0 AFADHN CCCN(CCC)Cc1cncs1 308413633 491102283 /nfs/dbraw/zinc/10/22/83/491102283.db2.gz MHZDPOCOXXQFPB-UHFFFAOYSA-N 0 3 198.335 2.765 20 0 AFADHN CCN(CC)Cc1sccc1OC 308417063 491102448 /nfs/dbraw/zinc/10/24/48/491102448.db2.gz NKSFYVKTTLRRFL-UHFFFAOYSA-N 0 3 199.319 2.599 20 0 AFADHN CCN(Cc1ccco1)C1CCC1 308504106 491108771 /nfs/dbraw/zinc/10/87/71/491108771.db2.gz YJUOBQOWNQMPFO-UHFFFAOYSA-N 0 3 179.263 2.654 20 0 AFADHN CCCNC(C)(C)c1c(C)noc1C 308540810 491110886 /nfs/dbraw/zinc/11/08/86/491110886.db2.gz UMWQSNPSSBXXDI-UHFFFAOYSA-N 0 3 196.294 2.526 20 0 AFADHN Cc1cc(C)cc([C@H](C)NCCF)c1 308558551 491111675 /nfs/dbraw/zinc/11/16/75/491111675.db2.gz URIIARJCMGUVKB-NSHDSACASA-N 0 3 195.281 2.924 20 0 AFADHN Cc1cc(C)cc([C@@H](C)NCCF)c1 308558550 491111786 /nfs/dbraw/zinc/11/17/86/491111786.db2.gz URIIARJCMGUVKB-LLVKDONJSA-N 0 3 195.281 2.924 20 0 AFADHN CCCN[C@H](CC)c1c(C)noc1C 308573467 491112252 /nfs/dbraw/zinc/11/22/52/491112252.db2.gz CSKCKDMEPASRNN-SNVBAGLBSA-N 0 3 196.294 2.742 20 0 AFADHN CCCN[C@@H](CC)c1c(C)noc1C 308573458 491112351 /nfs/dbraw/zinc/11/23/51/491112351.db2.gz CSKCKDMEPASRNN-JTQLQIEISA-N 0 3 196.294 2.742 20 0 AFADHN Cc1ccc(C)c([C@@H](C)NCCF)c1 308577678 491112594 /nfs/dbraw/zinc/11/25/94/491112594.db2.gz IIJFUUWCNKKLSY-LLVKDONJSA-N 0 3 195.281 2.924 20 0 AFADHN Cc1ccc(C)c([C@H](C)NCCF)c1 308577679 491112609 /nfs/dbraw/zinc/11/26/09/491112609.db2.gz IIJFUUWCNKKLSY-NSHDSACASA-N 0 3 195.281 2.924 20 0 AFADHN CC(C)[C@@H](NCCF)c1ccccc1 308581495 491112670 /nfs/dbraw/zinc/11/26/70/491112670.db2.gz JZQBHTPDBWCYAQ-GFCCVEGCSA-N 0 3 195.281 2.943 20 0 AFADHN CC(C)[C@H](NCCF)c1ccccc1 308581496 491112714 /nfs/dbraw/zinc/11/27/14/491112714.db2.gz JZQBHTPDBWCYAQ-LBPRGKRZSA-N 0 3 195.281 2.943 20 0 AFADHN C[C@H](CN[C@H](C)CF)c1ccccc1 308582411 491112720 /nfs/dbraw/zinc/11/27/20/491112720.db2.gz PZSZRNCBZFZFKP-GHMZBOCLSA-N 0 3 195.281 2.738 20 0 AFADHN C[C@H](CF)NC[C@H](C)c1ccccc1 308582414 491112770 /nfs/dbraw/zinc/11/27/70/491112770.db2.gz PZSZRNCBZFZFKP-WDEREUQCSA-N 0 3 195.281 2.738 20 0 AFADHN Cc1ccc(CN[C@H](C)CF)cc1C 308584141 491112986 /nfs/dbraw/zinc/11/29/86/491112986.db2.gz QWZOIFYAZVDDSP-LLVKDONJSA-N 0 3 195.281 2.751 20 0 AFADHN CCCC[C@@H](CC)NCc1cocn1 308599713 491113833 /nfs/dbraw/zinc/11/38/33/491113833.db2.gz NXRYRVDWIOKEFU-SNVBAGLBSA-N 0 3 196.294 2.733 20 0 AFADHN CCCC[C@H](CC)NCc1cocn1 308599712 491113878 /nfs/dbraw/zinc/11/38/78/491113878.db2.gz NXRYRVDWIOKEFU-JTQLQIEISA-N 0 3 196.294 2.733 20 0 AFADHN CCc1ccc(CN[C@H](C)CF)cc1 308632306 491115279 /nfs/dbraw/zinc/11/52/79/491115279.db2.gz ZLEQZZQBAIQOJE-SNVBAGLBSA-N 0 3 195.281 2.697 20 0 AFADHN C[C@@H](CCc1ccco1)N[C@H](C)CF 308639022 491115480 /nfs/dbraw/zinc/11/54/80/491115480.db2.gz DETGTMLVQVTGDF-VHSXEESVSA-N 0 3 199.269 2.548 20 0 AFADHN C[C@H](CF)N[C@H](C)CCc1ccco1 308639012 491115483 /nfs/dbraw/zinc/11/54/83/491115483.db2.gz DETGTMLVQVTGDF-NXEZZACHSA-N 0 3 199.269 2.548 20 0 AFADHN Cc1cccc(C)c1CN[C@H](C)CF 308643747 491115598 /nfs/dbraw/zinc/11/55/98/491115598.db2.gz GGYDQUJTVIBEQT-LLVKDONJSA-N 0 3 195.281 2.751 20 0 AFADHN C[C@H](CCC1CC1)NCc1ccco1 308650488 491116002 /nfs/dbraw/zinc/11/60/02/491116002.db2.gz KDHIHEKHGZVOII-SNVBAGLBSA-N 0 3 193.290 2.948 20 0 AFADHN C[C@@H](CCC1CC1)NCc1ccco1 308650487 491116031 /nfs/dbraw/zinc/11/60/31/491116031.db2.gz KDHIHEKHGZVOII-JTQLQIEISA-N 0 3 193.290 2.948 20 0 AFADHN C[C@H](NC1(C2CC2)CC1)c1ccco1 308659396 491116321 /nfs/dbraw/zinc/11/63/21/491116321.db2.gz PJIZKYIFJDJOHU-VIFPVBQESA-N 0 3 191.274 2.873 20 0 AFADHN C[C@@H](NC1(C2CC2)CC1)c1ccco1 308659395 491116421 /nfs/dbraw/zinc/11/64/21/491116421.db2.gz PJIZKYIFJDJOHU-SECBINFHSA-N 0 3 191.274 2.873 20 0 AFADHN Cc1ccc(C)c(CN[C@H](C)CF)c1 308680949 491117369 /nfs/dbraw/zinc/11/73/69/491117369.db2.gz XOONYVPALVMJLJ-LLVKDONJSA-N 0 3 195.281 2.751 20 0 AFADHN CC1(C)CC(CNCc2ccco2)C1 308685721 491117710 /nfs/dbraw/zinc/11/77/10/491117710.db2.gz ZJWNSHIBJQISOK-UHFFFAOYSA-N 0 3 193.290 2.805 20 0 AFADHN Cc1cccc(CN[C@H](C)CF)c1C 308686512 491117735 /nfs/dbraw/zinc/11/77/35/491117735.db2.gz ZSDREMMLZKRZRA-SNVBAGLBSA-N 0 3 195.281 2.751 20 0 AFADHN CC[C@@H](CNCCF)c1ccccc1 308699201 491117848 /nfs/dbraw/zinc/11/78/48/491117848.db2.gz VQHMGUQRQYBGDW-NSHDSACASA-N 0 3 195.281 2.739 20 0 AFADHN CC[C@H](CNCCF)c1ccccc1 308699198 491117857 /nfs/dbraw/zinc/11/78/57/491117857.db2.gz VQHMGUQRQYBGDW-LLVKDONJSA-N 0 3 195.281 2.739 20 0 AFADHN CCC(CC)(CC)NCc1ccon1 308725866 491118124 /nfs/dbraw/zinc/11/81/24/491118124.db2.gz GMZFUGYUPGMIMR-UHFFFAOYSA-N 0 3 196.294 2.733 20 0 AFADHN CCCCN(CC)Cc1ccccn1 591469186 491120240 /nfs/dbraw/zinc/12/02/40/491120240.db2.gz RPFHEGUAMMCGGW-UHFFFAOYSA-N 0 3 192.306 2.704 20 0 AFADHN Cc1cc(C)nc(NCC(C)C)c1 59047201 1188771694 /nfs/dbraw/zinc/77/16/94/1188771694.db2.gz WXAVQYHNTHEKHM-UHFFFAOYSA-N 0 3 178.279 2.766 20 0 AFADHN Cc1ccc(F)c(CNC2(C)CC2)c1 227601184 1188789347 /nfs/dbraw/zinc/78/93/47/1188789347.db2.gz VMZXTXIHZYFBQQ-UHFFFAOYSA-N 0 3 193.265 2.776 20 0 AFADHN Cc1cccc(CNC2(C)CC2)c1F 306746012 1188800750 /nfs/dbraw/zinc/80/07/50/1188800750.db2.gz IOWGZTIXNUHTBY-UHFFFAOYSA-N 0 3 193.265 2.776 20 0 AFADHN CN(CCC(F)(F)F)CC1(C)CC1 308320137 1188811401 /nfs/dbraw/zinc/81/14/01/1188811401.db2.gz ZYKUVBDBAHPTGC-UHFFFAOYSA-N 0 3 195.228 2.671 20 0 AFADHN