smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](NCCOC)c1cccs1 20085596 537780803 /nfs/dbraw/zinc/78/08/03/537780803.db2.gz LYLOVLYHKJXOAY-VIFPVBQESA-N 0 3 199.319 2.435 20 0 AEADHN CC[C@@H](NCCOC)c1cccs1 20085595 537783424 /nfs/dbraw/zinc/78/34/24/537783424.db2.gz LYLOVLYHKJXOAY-SECBINFHSA-N 0 3 199.319 2.435 20 0 AEADHN CC(C)N(CCF)C(C)C 32240865 537786659 /nfs/dbraw/zinc/78/66/59/537786659.db2.gz PHENGBDZZSYMBR-UHFFFAOYSA-N 0 3 147.237 2.075 20 0 AEADHN COCCN[C@H](C)c1cc(C)oc1C 20437360 537784428 /nfs/dbraw/zinc/78/44/28/537784428.db2.gz MOMXHUPQVRZZLX-SECBINFHSA-N 0 3 197.278 2.193 20 0 AEADHN COCCN[C@@H](C)c1cc(C)oc1C 20437356 537784713 /nfs/dbraw/zinc/78/47/13/537784713.db2.gz MOMXHUPQVRZZLX-VIFPVBQESA-N 0 3 197.278 2.193 20 0 AEADHN CCCCN(C)Cc1cccnc1 27828475 537787093 /nfs/dbraw/zinc/78/70/93/537787093.db2.gz QKLBVCOXCYESHY-UHFFFAOYSA-N 0 3 178.279 2.314 20 0 AEADHN CCCCNCc1ncc(C)s1 22862319 537789820 /nfs/dbraw/zinc/78/98/20/537789820.db2.gz QUCIRSYVWBMDNP-UHFFFAOYSA-N 0 3 184.308 2.341 20 0 AEADHN CN(C)CCSc1ccc(O)cc1 34498629 537792359 /nfs/dbraw/zinc/79/23/59/537792359.db2.gz OMWIEEXNXILLEM-UHFFFAOYSA-N 0 3 197.303 2.046 20 0 AEADHN CC(C)CC[C@@H](C)NCc1cc[nH]n1 36900130 537804583 /nfs/dbraw/zinc/80/45/83/537804583.db2.gz JYCQPGKJUVDYTA-SNVBAGLBSA-N 0 3 195.310 2.324 20 0 AEADHN CC(C)CC[C@H](C)NCc1cc[nH]n1 36900131 537805718 /nfs/dbraw/zinc/80/57/18/537805718.db2.gz JYCQPGKJUVDYTA-JTQLQIEISA-N 0 3 195.310 2.324 20 0 AEADHN COc1ccc(F)cc1CNC1CC1 37225722 537811508 /nfs/dbraw/zinc/81/15/08/537811508.db2.gz XQHXNPAQDTTZAW-UHFFFAOYSA-N 0 3 195.237 2.086 20 0 AEADHN COc1ccc(F)cc1CNC(C)C 37225719 537811893 /nfs/dbraw/zinc/81/18/93/537811893.db2.gz FDWOQDGHDDRNAD-UHFFFAOYSA-N 0 3 197.253 2.332 20 0 AEADHN CCCNCc1cc(F)ccc1OC 37225723 537812458 /nfs/dbraw/zinc/81/24/58/537812458.db2.gz DQIKNYHYJAEOFC-UHFFFAOYSA-N 0 3 197.253 2.334 20 0 AEADHN CCc1ncc(CNC(C)C)s1 37923651 537823052 /nfs/dbraw/zinc/82/30/52/537823052.db2.gz FNDKEAXPCKWFAU-UHFFFAOYSA-N 0 3 184.308 2.204 20 0 AEADHN CCCNCc1cnc(CC)s1 37923637 537826266 /nfs/dbraw/zinc/82/62/66/537826266.db2.gz JYPHXOIQCYATLR-UHFFFAOYSA-N 0 3 184.308 2.205 20 0 AEADHN CCCN(C)Cc1cnccc1C 38973462 537829302 /nfs/dbraw/zinc/82/93/02/537829302.db2.gz XFKIKZBEKJAQNZ-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN CC[C@H](O)CN[C@@H](C)c1ccc(C)o1 38097765 537829650 /nfs/dbraw/zinc/82/96/50/537829650.db2.gz HLCFUHFIFFDEOD-UWVGGRQHSA-N 0 3 197.278 2.010 20 0 AEADHN CC[C@H](O)CN[C@H](C)c1ccc(C)o1 38097767 537832052 /nfs/dbraw/zinc/83/20/52/537832052.db2.gz HLCFUHFIFFDEOD-ZJUUUORDSA-N 0 3 197.278 2.010 20 0 AEADHN CC[C@H](C)CNCc1nccs1 41012291 537834318 /nfs/dbraw/zinc/83/43/18/537834318.db2.gz KENHNKIACPFGOM-QMMMGPOBSA-N 0 3 184.308 2.279 20 0 AEADHN CC[C@@H](C)CNCc1nccs1 41012289 537836704 /nfs/dbraw/zinc/83/67/04/537836704.db2.gz KENHNKIACPFGOM-MRVPVSSYSA-N 0 3 184.308 2.279 20 0 AEADHN c1nc(C2CC2)sc1CNC1CC1 40996777 537837386 /nfs/dbraw/zinc/83/73/86/537837386.db2.gz FFWAGNKGWGVQBW-UHFFFAOYSA-N 0 3 194.303 2.273 20 0 AEADHN CCCN(C)Cc1cccnc1C 39116776 537838440 /nfs/dbraw/zinc/83/84/40/537838440.db2.gz OLBANCFMYYLUCH-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN CCCC(CCC)NCc1cc[nH]n1 41014545 537838968 /nfs/dbraw/zinc/83/89/68/537838968.db2.gz WXJHEUNNHVUIMT-UHFFFAOYSA-N 0 3 195.310 2.468 20 0 AEADHN CCCC[C@H](C)NCc1cc[nH]n1 41015367 537839710 /nfs/dbraw/zinc/83/97/10/537839710.db2.gz TZSMZSSXQDJGNC-VIFPVBQESA-N 0 3 181.283 2.078 20 0 AEADHN C[C@H](c1cccs1)N(C)CCCO 42227112 537840497 /nfs/dbraw/zinc/84/04/97/537840497.db2.gz NXBPEHRBXRGIJV-SECBINFHSA-N 0 3 199.319 2.123 20 0 AEADHN CCCC[C@@H](C)NCc1cc[nH]n1 41015365 537841675 /nfs/dbraw/zinc/84/16/75/537841675.db2.gz TZSMZSSXQDJGNC-SECBINFHSA-N 0 3 181.283 2.078 20 0 AEADHN CC(C)OCCNCc1cccs1 42223527 537841959 /nfs/dbraw/zinc/84/19/59/537841959.db2.gz JJSHGFXZZHMMSR-UHFFFAOYSA-N 0 3 199.319 2.263 20 0 AEADHN C[C@@H](c1cccs1)N(C)CCCO 42227109 537842086 /nfs/dbraw/zinc/84/20/86/537842086.db2.gz NXBPEHRBXRGIJV-VIFPVBQESA-N 0 3 199.319 2.123 20 0 AEADHN c1cc(CNC2CCCCC2)no1 41670972 537842274 /nfs/dbraw/zinc/84/22/74/537842274.db2.gz JBVXXPOLQZWPTP-UHFFFAOYSA-N 0 3 180.251 2.097 20 0 AEADHN CCOCCN(C)Cc1cccs1 41392514 537843819 /nfs/dbraw/zinc/84/38/19/537843819.db2.gz IWZUDCYSBHWZGV-UHFFFAOYSA-N 0 3 199.319 2.216 20 0 AEADHN Cc1ccc([C@H](C)NCCCCO)o1 43445576 537845035 /nfs/dbraw/zinc/84/50/35/537845035.db2.gz SHTZSWDXIUDFAH-JTQLQIEISA-N 0 3 197.278 2.011 20 0 AEADHN CCC(CC)NCc1cc(C)no1 44299030 537848045 /nfs/dbraw/zinc/84/80/45/537848045.db2.gz ZZPXZYBINBYBDH-UHFFFAOYSA-N 0 3 182.267 2.261 20 0 AEADHN Cc1ccc([C@@H](C)NCCCCO)o1 43445575 537848538 /nfs/dbraw/zinc/84/85/38/537848538.db2.gz SHTZSWDXIUDFAH-SNVBAGLBSA-N 0 3 197.278 2.011 20 0 AEADHN Cc1cc(CN[C@H](C)C(C)C)no1 44296011 537848655 /nfs/dbraw/zinc/84/86/55/537848655.db2.gz PMAUFBIWNCJBOG-SECBINFHSA-N 0 3 182.267 2.117 20 0 AEADHN Cc1cc(CN[C@@H](C)C(C)C)no1 44296007 537848673 /nfs/dbraw/zinc/84/86/73/537848673.db2.gz PMAUFBIWNCJBOG-VIFPVBQESA-N 0 3 182.267 2.117 20 0 AEADHN COCCCCN[C@@H](C)c1ccco1 44655577 537852240 /nfs/dbraw/zinc/85/22/40/537852240.db2.gz YFMNJZUNGNDHDI-JTQLQIEISA-N 0 3 197.278 2.357 20 0 AEADHN CC[C@H](C)CNCc1cc(C)on1 44692536 537850383 /nfs/dbraw/zinc/85/03/83/537850383.db2.gz GWBKYVCEQAZKIU-QMMMGPOBSA-N 0 3 182.267 2.119 20 0 AEADHN CC(C)NCc1nc2c(s1)CCC2 45205893 537850918 /nfs/dbraw/zinc/85/09/18/537850918.db2.gz LBFCZBKWDZKYFG-UHFFFAOYSA-N 0 3 196.319 2.130 20 0 AEADHN CC[C@@H](C)CNCc1cc(C)on1 44692534 537851129 /nfs/dbraw/zinc/85/11/29/537851129.db2.gz GWBKYVCEQAZKIU-MRVPVSSYSA-N 0 3 182.267 2.119 20 0 AEADHN CC[C@H](C)CNCc1cc(C)no1 44986199 537853137 /nfs/dbraw/zinc/85/31/37/537853137.db2.gz PGLKGYUSVRYUQN-QMMMGPOBSA-N 0 3 182.267 2.119 20 0 AEADHN CC[C@@H](C)CNCc1cc(C)no1 44986196 537853610 /nfs/dbraw/zinc/85/36/10/537853610.db2.gz PGLKGYUSVRYUQN-MRVPVSSYSA-N 0 3 182.267 2.119 20 0 AEADHN COCCCCN[C@H](C)c1ccco1 44655581 537853652 /nfs/dbraw/zinc/85/36/52/537853652.db2.gz YFMNJZUNGNDHDI-SNVBAGLBSA-N 0 3 197.278 2.357 20 0 AEADHN CCCNCc1nc(C)c(C)s1 49805927 537859812 /nfs/dbraw/zinc/85/98/12/537859812.db2.gz ZWYRWOIGWMPVOB-UHFFFAOYSA-N 0 3 184.308 2.260 20 0 AEADHN CN(C)CCSc1ccccc1O 50046935 537860603 /nfs/dbraw/zinc/86/06/03/537860603.db2.gz KEXPPOHEQRILKS-UHFFFAOYSA-N 0 3 197.303 2.046 20 0 AEADHN Cc1ccc2snc(CN)c2c1 82870708 537892893 /nfs/dbraw/zinc/89/28/93/537892893.db2.gz UEGXKRIETWZUPX-UHFFFAOYSA-N 0 3 178.260 2.063 20 0 AEADHN CC1(C)NCCc2sccc21 84307635 537908284 /nfs/dbraw/zinc/90/82/84/537908284.db2.gz ULUJMAVITKRTKN-UHFFFAOYSA-N 0 3 167.277 2.129 20 0 AEADHN C(=C1CNC1)C1CCCCC1 86881893 537936968 /nfs/dbraw/zinc/93/69/68/537936968.db2.gz SDWQRGSGTKUQPM-UHFFFAOYSA-N 0 3 151.253 2.096 20 0 AEADHN Cc1nc(CNC2CCC2)sc1C 87375908 537939323 /nfs/dbraw/zinc/93/93/23/537939323.db2.gz GGLJXYRIGSFTFP-UHFFFAOYSA-N 0 3 196.319 2.402 20 0 AEADHN Fc1cccc([C@@H]2C[C@@H](F)CN2)c1 107261344 537956867 /nfs/dbraw/zinc/95/68/67/537956867.db2.gz LQUSSLCDEQYRKO-ZJUUUORDSA-N 0 3 183.201 2.198 20 0 AEADHN Fc1cccc([C@H]2C[C@H](F)CN2)c1 107261340 537957081 /nfs/dbraw/zinc/95/70/81/537957081.db2.gz LQUSSLCDEQYRKO-VHSXEESVSA-N 0 3 183.201 2.198 20 0 AEADHN F[C@@H]1CN[C@@H](c2ccccc2)C1 107261355 537957539 /nfs/dbraw/zinc/95/75/39/537957539.db2.gz KPWYKXCVQYRLER-VHSXEESVSA-N 0 3 165.211 2.059 20 0 AEADHN F[C@H]1CN[C@@H](c2ccccc2)C1 107261361 537957771 /nfs/dbraw/zinc/95/77/71/537957771.db2.gz KPWYKXCVQYRLER-NXEZZACHSA-N 0 3 165.211 2.059 20 0 AEADHN Fc1cccc([C@H]2C[C@@H](F)CN2)c1 107261348 537957815 /nfs/dbraw/zinc/95/78/15/537957815.db2.gz LQUSSLCDEQYRKO-NXEZZACHSA-N 0 3 183.201 2.198 20 0 AEADHN F[C@@H]1CN[C@H](c2ccccc2)C1 107261351 537958088 /nfs/dbraw/zinc/95/80/88/537958088.db2.gz KPWYKXCVQYRLER-UWVGGRQHSA-N 0 3 165.211 2.059 20 0 AEADHN Fc1ccc([C@@H]2C[C@H](F)CN2)cc1 107261364 537958277 /nfs/dbraw/zinc/95/82/77/537958277.db2.gz PDIVEBAJCJYAHT-UWVGGRQHSA-N 0 3 183.201 2.198 20 0 AEADHN Fc1ccc([C@@H]2C[C@@H](F)CN2)cc1 107261372 537959132 /nfs/dbraw/zinc/95/91/32/537959132.db2.gz PDIVEBAJCJYAHT-ZJUUUORDSA-N 0 3 183.201 2.198 20 0 AEADHN Fc1cccc([C@@H]2C[C@H](F)CN2)c1 107261338 537959188 /nfs/dbraw/zinc/95/91/88/537959188.db2.gz LQUSSLCDEQYRKO-UWVGGRQHSA-N 0 3 183.201 2.198 20 0 AEADHN F[C@H]1CN[C@H](c2ccccc2)C1 107261358 537959205 /nfs/dbraw/zinc/95/92/05/537959205.db2.gz KPWYKXCVQYRLER-ZJUUUORDSA-N 0 3 165.211 2.059 20 0 AEADHN Fc1ccc([C@H]2C[C@@H](F)CN2)cc1 107261375 537959368 /nfs/dbraw/zinc/95/93/68/537959368.db2.gz PDIVEBAJCJYAHT-NXEZZACHSA-N 0 3 183.201 2.198 20 0 AEADHN Fc1ccc([C@H]2C[C@H](F)CN2)cc1 107261367 537959917 /nfs/dbraw/zinc/95/99/17/537959917.db2.gz PDIVEBAJCJYAHT-VHSXEESVSA-N 0 3 183.201 2.198 20 0 AEADHN Oc1cccc(CN2CC=CCC2)c1 139724668 537990472 /nfs/dbraw/zinc/99/04/72/537990472.db2.gz CDXSUKKTSUHKOP-UHFFFAOYSA-N 0 3 189.258 2.154 20 0 AEADHN Cc1nc(C)c(CN2CCCCC2)o1 142015309 537994764 /nfs/dbraw/zinc/99/47/64/537994764.db2.gz SXOJYJINQDAFTA-UHFFFAOYSA-N 0 3 194.278 2.277 20 0 AEADHN CC[C@H](C)CN1CCOC(C)(C)C1 142652566 537995390 /nfs/dbraw/zinc/99/53/90/537995390.db2.gz UPVREDUYINJQQX-JTQLQIEISA-N 0 3 185.311 2.143 20 0 AEADHN CC[C@@H](C)CN1CCOC(C)(C)C1 142652368 537995963 /nfs/dbraw/zinc/99/59/63/537995963.db2.gz UPVREDUYINJQQX-SNVBAGLBSA-N 0 3 185.311 2.143 20 0 AEADHN CC[C@@H](C)CN1CCN(C(C)C)CC1 145151009 537999276 /nfs/dbraw/zinc/99/92/76/537999276.db2.gz DVZNOCPRXCBQJB-GFCCVEGCSA-N 0 3 198.354 2.059 20 0 AEADHN CC[C@H](C)CN1CCN(C(C)C)CC1 145151207 537999625 /nfs/dbraw/zinc/99/96/25/537999625.db2.gz DVZNOCPRXCBQJB-LBPRGKRZSA-N 0 3 198.354 2.059 20 0 AEADHN CN1CCN(CCCC(C)(C)C)CC1 147866398 538003674 /nfs/dbraw/zinc/00/36/74/538003674.db2.gz HZBWTNTVCQOKEN-UHFFFAOYSA-N 0 3 198.354 2.060 20 0 AEADHN CCN(C)Cc1cc(C)ccc1OC 148757433 538007040 /nfs/dbraw/zinc/00/70/40/538007040.db2.gz IRUTWNKUVAPLOC-UHFFFAOYSA-N 0 3 193.290 2.455 20 0 AEADHN CC[C@@H](CCO)N[C@@H](C)c1ccco1 156793828 538013693 /nfs/dbraw/zinc/01/36/93/538013693.db2.gz KGPVFVFNTSTISE-UWVGGRQHSA-N 0 3 197.278 2.091 20 0 AEADHN Fc1ccccc1CCN1CCCC1 148465953 538008407 /nfs/dbraw/zinc/00/84/07/538008407.db2.gz FYZYGEVRILNZEC-UHFFFAOYSA-N 0 3 193.265 2.464 20 0 AEADHN CCN(C)Cc1ccccc1OC 149710301 538008965 /nfs/dbraw/zinc/00/89/65/538008965.db2.gz UNNHRRDVKXILTG-UHFFFAOYSA-N 0 3 179.263 2.147 20 0 AEADHN CCN(Cc1ccncc1)C(C)C 149806986 538009584 /nfs/dbraw/zinc/00/95/84/538009584.db2.gz CPRLNEYCSRYXLG-UHFFFAOYSA-N 0 3 178.279 2.312 20 0 AEADHN CC[C@@H](CCO)N[C@H](C)c1ccco1 156794129 538013323 /nfs/dbraw/zinc/01/33/23/538013323.db2.gz KGPVFVFNTSTISE-ZJUUUORDSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@@H](CCO)N[C@H](C)c1ccoc1 156813148 538013813 /nfs/dbraw/zinc/01/38/13/538013813.db2.gz UWFFVUYMQWTHAC-KOLCDFICSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@H](CCO)N[C@H](C)c1ccco1 156794279 538013917 /nfs/dbraw/zinc/01/39/17/538013917.db2.gz KGPVFVFNTSTISE-NXEZZACHSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@@H](CCO)N[C@@H](C)c1ccoc1 156812869 538014174 /nfs/dbraw/zinc/01/41/74/538014174.db2.gz UWFFVUYMQWTHAC-ONGXEEELSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@H](CCO)N[C@H](C)c1ccoc1 156813288 538014367 /nfs/dbraw/zinc/01/43/67/538014367.db2.gz UWFFVUYMQWTHAC-MWLCHTKSSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@H](CCO)N[C@@H](C)c1ccoc1 156813012 538014885 /nfs/dbraw/zinc/01/48/85/538014885.db2.gz UWFFVUYMQWTHAC-GXSJLCMTSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@H](CCO)N[C@@H](C)c1ccco1 156793959 538016177 /nfs/dbraw/zinc/01/61/77/538016177.db2.gz KGPVFVFNTSTISE-VHSXEESVSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@@H]1CCC[C@H]1NCc1ccon1 157111538 538018767 /nfs/dbraw/zinc/01/87/67/538018767.db2.gz IOTAECCEMZJMKN-MWLCHTKSSA-N 0 3 194.278 2.343 20 0 AEADHN CC[C@H]1CCC[C@H]1NCc1ccon1 157111679 538018897 /nfs/dbraw/zinc/01/88/97/538018897.db2.gz IOTAECCEMZJMKN-GXSJLCMTSA-N 0 3 194.278 2.343 20 0 AEADHN CC[C@H]1CCC[C@@H]1NCc1ccon1 157111384 538020077 /nfs/dbraw/zinc/02/00/77/538020077.db2.gz IOTAECCEMZJMKN-ONGXEEELSA-N 0 3 194.278 2.343 20 0 AEADHN CC[C@@H]1CCC[C@@H]1NCc1ccon1 157111241 538020704 /nfs/dbraw/zinc/02/07/04/538020704.db2.gz IOTAECCEMZJMKN-KOLCDFICSA-N 0 3 194.278 2.343 20 0 AEADHN CC[C@@H](O)CCN[C@@H](C)c1ccco1 157383792 538021402 /nfs/dbraw/zinc/02/14/02/538021402.db2.gz JIUQDDWZCQIVFZ-VHSXEESVSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@H](O)CCN[C@H](C)c1ccoc1 157400634 538021630 /nfs/dbraw/zinc/02/16/30/538021630.db2.gz SQIJLEISAOZLED-KOLCDFICSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@H](O)CCN[C@@H](C)c1ccco1 157383649 538021699 /nfs/dbraw/zinc/02/16/99/538021699.db2.gz JIUQDDWZCQIVFZ-UWVGGRQHSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@@H](O)CCN[C@@H](C)c1ccoc1 157400500 538021948 /nfs/dbraw/zinc/02/19/48/538021948.db2.gz SQIJLEISAOZLED-GXSJLCMTSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@H](O)CCN[C@@H](C)c1ccoc1 157400363 538022271 /nfs/dbraw/zinc/02/22/71/538022271.db2.gz SQIJLEISAOZLED-ONGXEEELSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@@H](O)CCN[C@H](C)c1ccoc1 157400776 538022777 /nfs/dbraw/zinc/02/27/77/538022777.db2.gz SQIJLEISAOZLED-MWLCHTKSSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@@H](O)CCN[C@H](C)c1ccco1 157384096 538023630 /nfs/dbraw/zinc/02/36/30/538023630.db2.gz JIUQDDWZCQIVFZ-NXEZZACHSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@H](O)CCN[C@H](C)c1ccco1 157383943 538024705 /nfs/dbraw/zinc/02/47/05/538024705.db2.gz JIUQDDWZCQIVFZ-ZJUUUORDSA-N 0 3 197.278 2.091 20 0 AEADHN Cc1ncsc1CNC1(C)CCC1 160009112 538038670 /nfs/dbraw/zinc/03/86/70/538038670.db2.gz ZAHOQPQNKXOADZ-UHFFFAOYSA-N 0 3 196.319 2.484 20 0 AEADHN CC1(NCc2cncs2)CCC1 159998768 538039884 /nfs/dbraw/zinc/03/98/84/538039884.db2.gz UXWBQQNOCCLJOQ-UHFFFAOYSA-N 0 3 182.292 2.175 20 0 AEADHN CC1(NCc2ccccn2)CCC1 159992842 538040183 /nfs/dbraw/zinc/04/01/83/538040183.db2.gz OHWXAHJXLGEYBC-UHFFFAOYSA-N 0 3 176.263 2.114 20 0 AEADHN CC1(NCc2nccs2)CCC1 159990999 538042386 /nfs/dbraw/zinc/04/23/86/538042386.db2.gz USBXGWWPIGTWPD-UHFFFAOYSA-N 0 3 182.292 2.175 20 0 AEADHN CC1(NCc2ccco2)CCC1 159993133 538042567 /nfs/dbraw/zinc/04/25/67/538042567.db2.gz ZKJCUGONZAQIPV-UHFFFAOYSA-N 0 3 165.236 2.312 20 0 AEADHN C[C@H](NC1CC=CC1)c1ccccn1 160896607 538048558 /nfs/dbraw/zinc/04/85/58/538048558.db2.gz KVWDWXPXCMSGFQ-JTQLQIEISA-N 0 3 188.274 2.451 20 0 AEADHN C[C@@H](NC1CC=CC1)c1ccccn1 160896739 538049191 /nfs/dbraw/zinc/04/91/91/538049191.db2.gz KVWDWXPXCMSGFQ-SNVBAGLBSA-N 0 3 188.274 2.451 20 0 AEADHN CCCCN(C)Cc1ccc(CO)o1 161153498 538060923 /nfs/dbraw/zinc/06/09/23/538060923.db2.gz QCXAMUHHHWYAGR-UHFFFAOYSA-N 0 3 197.278 2.004 20 0 AEADHN C[C@H](NC[C@H]1C[C@@H]1C)c1nccs1 161535755 538062432 /nfs/dbraw/zinc/06/24/32/538062432.db2.gz IHTONNJIPFQYEA-XHNCKOQMSA-N 0 3 196.319 2.450 20 0 AEADHN C[C@H](NC[C@@H]1C[C@H]1C)c1nccs1 161535880 538062455 /nfs/dbraw/zinc/06/24/55/538062455.db2.gz IHTONNJIPFQYEA-VGMNWLOBSA-N 0 3 196.319 2.450 20 0 AEADHN C[C@H](NC[C@H]1C[C@H]1C)c1nccs1 161535651 538062463 /nfs/dbraw/zinc/06/24/63/538062463.db2.gz IHTONNJIPFQYEA-HRDYMLBCSA-N 0 3 196.319 2.450 20 0 AEADHN C[C@H](NC[C@@H]1C[C@@H]1C)c1nccs1 161536008 538063096 /nfs/dbraw/zinc/06/30/96/538063096.db2.gz IHTONNJIPFQYEA-CIUDSAMLSA-N 0 3 196.319 2.450 20 0 AEADHN CCN[C@@H](COC)c1ccc(CC)o1 163657468 538082463 /nfs/dbraw/zinc/08/24/63/538082463.db2.gz KGJJEAAGTNRWPE-JTQLQIEISA-N 0 3 197.278 2.139 20 0 AEADHN CCN[C@H](COC)c1ccc(CC)o1 163657341 538083857 /nfs/dbraw/zinc/08/38/57/538083857.db2.gz KGJJEAAGTNRWPE-SNVBAGLBSA-N 0 3 197.278 2.139 20 0 AEADHN CCCN[C@@H](COC)c1ccc(C)o1 163656834 538133127 /nfs/dbraw/zinc/13/31/27/538133127.db2.gz VVDFYQHURPQKON-JTQLQIEISA-N 0 3 197.278 2.275 20 0 AEADHN CCCN[C@H](COC)c1ccc(C)o1 163656945 538134511 /nfs/dbraw/zinc/13/45/11/538134511.db2.gz VVDFYQHURPQKON-SNVBAGLBSA-N 0 3 197.278 2.275 20 0 AEADHN CCCCN1CCc2ncsc2C1 164271284 538141095 /nfs/dbraw/zinc/14/10/95/538141095.db2.gz AYAHNRXRAZVUHM-UHFFFAOYSA-N 0 3 196.319 2.301 20 0 AEADHN CCN[C@H](C)c1sccc1OC 164196052 538141320 /nfs/dbraw/zinc/14/13/20/538141320.db2.gz JUROMQVYUVWLMM-SSDOTTSWSA-N 0 3 185.292 2.427 20 0 AEADHN CCN[C@@H](C)c1sccc1OC 164195928 538141561 /nfs/dbraw/zinc/14/15/61/538141561.db2.gz JUROMQVYUVWLMM-ZETCQYMHSA-N 0 3 185.292 2.427 20 0 AEADHN C[C@H](O)C[C@@H](C)N[C@@H](C)c1ccco1 164569733 538142635 /nfs/dbraw/zinc/14/26/35/538142635.db2.gz HUGMSZVHABVSGG-UTLUCORTSA-N 0 3 197.278 2.090 20 0 AEADHN C[C@H](O)C[C@@H](C)N[C@@H](C)c1ccoc1 164558198 538143463 /nfs/dbraw/zinc/14/34/63/538143463.db2.gz MWJYQVHGCJQRKJ-UTLUCORTSA-N 0 3 197.278 2.090 20 0 AEADHN C[C@H](O)C[C@H](C)N[C@@H](C)c1ccoc1 164558079 538145032 /nfs/dbraw/zinc/14/50/32/538145032.db2.gz MWJYQVHGCJQRKJ-GUBZILKMSA-N 0 3 197.278 2.090 20 0 AEADHN C[C@H](O)C[C@H](C)N[C@@H](C)c1ccco1 164569623 538145686 /nfs/dbraw/zinc/14/56/86/538145686.db2.gz HUGMSZVHABVSGG-GUBZILKMSA-N 0 3 197.278 2.090 20 0 AEADHN CCCN(CCC)Cc1c[nH]cn1 165034723 538149897 /nfs/dbraw/zinc/14/98/97/538149897.db2.gz OLYKMBSFQNKZAY-UHFFFAOYSA-N 0 3 181.283 2.032 20 0 AEADHN CCCN(CCC)Cc1cnc[nH]1 165034723 538149901 /nfs/dbraw/zinc/14/99/01/538149901.db2.gz OLYKMBSFQNKZAY-UHFFFAOYSA-N 0 3 181.283 2.032 20 0 AEADHN CCc1cc(CN[C@H](C)C2CC2)on1 165367427 538152580 /nfs/dbraw/zinc/15/25/80/538152580.db2.gz CZCMAAKFCYLGNR-MRVPVSSYSA-N 0 3 194.278 2.125 20 0 AEADHN CCC1(CNCc2ncc[nH]2)CCC1 165580167 538152664 /nfs/dbraw/zinc/15/26/64/538152664.db2.gz ICNWJZSJVPDVBY-UHFFFAOYSA-N 0 3 193.294 2.080 20 0 AEADHN CCc1cc(CN[C@@H](C)C2CC2)on1 165367318 538152950 /nfs/dbraw/zinc/15/29/50/538152950.db2.gz CZCMAAKFCYLGNR-QMMMGPOBSA-N 0 3 194.278 2.125 20 0 AEADHN CCC1(CNCc2ccccn2)CC1 165458473 538154408 /nfs/dbraw/zinc/15/44/08/538154408.db2.gz BAHZNSJUARYXQW-UHFFFAOYSA-N 0 3 190.290 2.361 20 0 AEADHN CCC1(CNCc2cc[nH]n2)CCC1 165578073 538154812 /nfs/dbraw/zinc/15/48/12/538154812.db2.gz BUDWGZGUMUYRCG-UHFFFAOYSA-N 0 3 193.294 2.080 20 0 AEADHN C[C@H]1CCC[C@@H](CN2CCOCC2)C1 166054157 538156925 /nfs/dbraw/zinc/15/69/25/538156925.db2.gz VDNPWYMXWWWLGG-NWDGAFQWSA-N 0 3 197.322 2.145 20 0 AEADHN C[C@@H]1CCC[C@H](CN2CCOCC2)C1 166053809 538158435 /nfs/dbraw/zinc/15/84/35/538158435.db2.gz VDNPWYMXWWWLGG-NEPJUHHUSA-N 0 3 197.322 2.145 20 0 AEADHN CC(C)n1cc([C@H](C)NC2CC2)cn1 166198366 538158838 /nfs/dbraw/zinc/15/88/38/538158838.db2.gz GAZHLOPUQYLLAV-VIFPVBQESA-N 0 3 193.294 2.277 20 0 AEADHN C[C@@H]1CCC[C@@H](CN2CCOCC2)C1 166054048 538159033 /nfs/dbraw/zinc/15/90/33/538159033.db2.gz VDNPWYMXWWWLGG-VXGBXAGGSA-N 0 3 197.322 2.145 20 0 AEADHN CCCC1(CNCc2cc[nH]n2)CC1 165971483 538159341 /nfs/dbraw/zinc/15/93/41/538159341.db2.gz ACEYKTZRYYCNBN-UHFFFAOYSA-N 0 3 193.294 2.080 20 0 AEADHN CC(C)n1cc([C@@H](C)NC2CC2)cn1 166198242 538159424 /nfs/dbraw/zinc/15/94/24/538159424.db2.gz GAZHLOPUQYLLAV-SECBINFHSA-N 0 3 193.294 2.277 20 0 AEADHN CCCC1(CNCc2ncc[nH]2)CC1 165973761 538159505 /nfs/dbraw/zinc/15/95/05/538159505.db2.gz VNKVYDMHJOZPFC-UHFFFAOYSA-N 0 3 193.294 2.080 20 0 AEADHN C[C@H]1CCC[C@H](CN2CCOCC2)C1 166053927 538159524 /nfs/dbraw/zinc/15/95/24/538159524.db2.gz VDNPWYMXWWWLGG-RYUDHWBXSA-N 0 3 197.322 2.145 20 0 AEADHN CCc1ccc([C@@H](C)NCCOC)o1 166317332 538161573 /nfs/dbraw/zinc/16/15/73/538161573.db2.gz YVGZIAKIZVIONI-SECBINFHSA-N 0 3 197.278 2.139 20 0 AEADHN CCc1ccc([C@H](C)NCCOC)o1 166317448 538161859 /nfs/dbraw/zinc/16/18/59/538161859.db2.gz YVGZIAKIZVIONI-VIFPVBQESA-N 0 3 197.278 2.139 20 0 AEADHN CCCCNCc1ccc(COC)o1 166654649 538162018 /nfs/dbraw/zinc/16/20/18/538162018.db2.gz NEHGMOHKEMBYFR-UHFFFAOYSA-N 0 3 197.278 2.316 20 0 AEADHN CC[C@@H](C)NCc1ccc(COC)o1 166656810 538162551 /nfs/dbraw/zinc/16/25/51/538162551.db2.gz BITFCXQXDCXLBX-SECBINFHSA-N 0 3 197.278 2.314 20 0 AEADHN CC[C@H](C)NCc1ccc(COC)o1 166656917 538163285 /nfs/dbraw/zinc/16/32/85/538163285.db2.gz BITFCXQXDCXLBX-VIFPVBQESA-N 0 3 197.278 2.314 20 0 AEADHN CCOC(C)(C)CNCc1ccco1 166985556 538167401 /nfs/dbraw/zinc/16/74/01/538167401.db2.gz WNDFJUYKKYJCPS-UHFFFAOYSA-N 0 3 197.278 2.184 20 0 AEADHN CCN(CC)CCC(F)(F)F 168707015 538176725 /nfs/dbraw/zinc/17/67/25/538176725.db2.gz YMTCATCNJGEWGX-UHFFFAOYSA-N 0 3 169.190 2.281 20 0 AEADHN CC[C@@]1(C)NCCc2occc21 211972749 538186723 /nfs/dbraw/zinc/18/67/23/538186723.db2.gz IMLRJGSDRQLGGI-SNVBAGLBSA-N 0 3 165.236 2.051 20 0 AEADHN CC(C)[C@@H]1NCCc2occc21 211972986 538186771 /nfs/dbraw/zinc/18/67/71/538186771.db2.gz KMHNYYJAUCFENO-JTQLQIEISA-N 0 3 165.236 2.122 20 0 AEADHN CC(C)[C@H]1NCCc2occc21 211972915 538187516 /nfs/dbraw/zinc/18/75/16/538187516.db2.gz KMHNYYJAUCFENO-SNVBAGLBSA-N 0 3 165.236 2.122 20 0 AEADHN CC(C)c1ccc2c(c1)OCCNC2 212124925 538188869 /nfs/dbraw/zinc/18/88/69/538188869.db2.gz FKMLYXQWEIACKH-UHFFFAOYSA-N 0 3 191.274 2.292 20 0 AEADHN CC[C@]1(C)NCCc2occc21 211972829 538188998 /nfs/dbraw/zinc/18/89/98/538188998.db2.gz IMLRJGSDRQLGGI-JTQLQIEISA-N 0 3 165.236 2.051 20 0 AEADHN CC(C)[C@@H]1NCCc2ccoc21 211973155 538189014 /nfs/dbraw/zinc/18/90/14/538189014.db2.gz MRHMHUNKUDMCGD-VIFPVBQESA-N 0 3 165.236 2.122 20 0 AEADHN CC(C)[C@H]1NCCc2ccoc21 211973078 538189056 /nfs/dbraw/zinc/18/90/56/538189056.db2.gz MRHMHUNKUDMCGD-SECBINFHSA-N 0 3 165.236 2.122 20 0 AEADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1ccoc1 222320314 538196598 /nfs/dbraw/zinc/19/65/98/538196598.db2.gz HAVZFGDKQOGZBN-UTLUCORTSA-N 0 3 197.278 2.354 20 0 AEADHN Cc1ccc(CNCC2(C)CC2)nc1 230221473 538207349 /nfs/dbraw/zinc/20/73/49/538207349.db2.gz DYRPTBNGFWEECK-UHFFFAOYSA-N 0 3 190.290 2.280 20 0 AEADHN C[C@@H](NCCCCCO)c1ccoc1 230648027 538210241 /nfs/dbraw/zinc/21/02/41/538210241.db2.gz ZCABMHNOCINCIB-SNVBAGLBSA-N 0 3 197.278 2.093 20 0 AEADHN CC[C@@H](C)[C@H](C)NCc1ccno1 230617045 538210881 /nfs/dbraw/zinc/21/08/81/538210881.db2.gz IEIUGXYWXQYHDH-BDAKNGLRSA-N 0 3 182.267 2.199 20 0 AEADHN CC(C)=CCN[C@H](C)c1cnn(C)c1 230640034 538210968 /nfs/dbraw/zinc/21/09/68/538210968.db2.gz DVVCYDHZULAUSW-SNVBAGLBSA-N 0 3 193.294 2.037 20 0 AEADHN CC[C@H](C)[C@H](C)NCc1ccno1 230617054 538211604 /nfs/dbraw/zinc/21/16/04/538211604.db2.gz IEIUGXYWXQYHDH-IUCAKERBSA-N 0 3 182.267 2.199 20 0 AEADHN CC[C@@H](C)[C@@H](C)NCc1ccno1 230617026 538211999 /nfs/dbraw/zinc/21/19/99/538211999.db2.gz IEIUGXYWXQYHDH-RKDXNWHRSA-N 0 3 182.267 2.199 20 0 AEADHN C[C@H](NCCCCCO)c1ccoc1 230648036 538212103 /nfs/dbraw/zinc/21/21/03/538212103.db2.gz ZCABMHNOCINCIB-JTQLQIEISA-N 0 3 197.278 2.093 20 0 AEADHN CC(C)=CCN[C@@H](C)c1cnn(C)c1 230640027 538212570 /nfs/dbraw/zinc/21/25/70/538212570.db2.gz DVVCYDHZULAUSW-JTQLQIEISA-N 0 3 193.294 2.037 20 0 AEADHN CC[C@H](C)[C@@H](C)NCc1ccno1 230617037 538212863 /nfs/dbraw/zinc/21/28/63/538212863.db2.gz IEIUGXYWXQYHDH-DTWKUNHWSA-N 0 3 182.267 2.199 20 0 AEADHN CC[C@H]1CCC[C@@H]1NCc1ccno1 231881742 538223683 /nfs/dbraw/zinc/22/36/83/538223683.db2.gz DFIYCXIFJHOTPB-ONGXEEELSA-N 0 3 194.278 2.343 20 0 AEADHN CC[C@@H]1CCC[C@H]1NCc1ccno1 231881744 538223776 /nfs/dbraw/zinc/22/37/76/538223776.db2.gz DFIYCXIFJHOTPB-MWLCHTKSSA-N 0 3 194.278 2.343 20 0 AEADHN CC[C@@H]1CCC[C@@H]1NCc1ccno1 231881739 538223967 /nfs/dbraw/zinc/22/39/67/538223967.db2.gz DFIYCXIFJHOTPB-KOLCDFICSA-N 0 3 194.278 2.343 20 0 AEADHN CC[C@H]1CCC[C@H]1NCc1ccno1 231881746 538225650 /nfs/dbraw/zinc/22/56/50/538225650.db2.gz DFIYCXIFJHOTPB-GXSJLCMTSA-N 0 3 194.278 2.343 20 0 AEADHN CC(C)=CCNCc1ccc(C)cn1 232615228 538226674 /nfs/dbraw/zinc/22/66/74/538226674.db2.gz LPKVZEKMRCEOED-UHFFFAOYSA-N 0 3 190.290 2.446 20 0 AEADHN CC(C)=CCNCc1cccn1C 232617889 538226795 /nfs/dbraw/zinc/22/67/95/538226795.db2.gz RZSVUHDNJXMTIX-UHFFFAOYSA-N 0 3 178.279 2.081 20 0 AEADHN CC(C)=CCNCc1cccc(O)c1 232617277 538228106 /nfs/dbraw/zinc/22/81/06/538228106.db2.gz UJUQAXYFCRLBSJ-UHFFFAOYSA-N 0 3 191.274 2.448 20 0 AEADHN CCC(=O)CCCN1CCCCC1 232852845 538228296 /nfs/dbraw/zinc/22/82/96/538228296.db2.gz RAPJJGVHIKWYIQ-UHFFFAOYSA-N 0 3 183.295 2.232 20 0 AEADHN CC(C)=CCNCc1cc[nH]c1 232614512 538228980 /nfs/dbraw/zinc/22/89/80/538228980.db2.gz LNFMMKBNGRMDDF-UHFFFAOYSA-N 0 3 164.252 2.071 20 0 AEADHN CC(C)=CCNCc1c(C)n[nH]c1C 232612685 538229104 /nfs/dbraw/zinc/22/91/04/538229104.db2.gz VYLWDIRXLXLEIE-UHFFFAOYSA-N 0 3 193.294 2.082 20 0 AEADHN C=Cn1cc(CNC2(C)CCC2)cn1 232802917 538229514 /nfs/dbraw/zinc/22/95/14/538229514.db2.gz YGOQUQWWMHKDOK-UHFFFAOYSA-N 0 3 191.278 2.016 20 0 AEADHN CC(C)=CCNCc1cncs1 232619097 538229925 /nfs/dbraw/zinc/22/99/25/538229925.db2.gz CUDOYTFZFMRTIW-UHFFFAOYSA-N 0 3 182.292 2.199 20 0 AEADHN CCCc1ccc2c(c1)CNC2 238246585 538252962 /nfs/dbraw/zinc/25/29/62/538252962.db2.gz AAWXIKFUIAUMBJ-UHFFFAOYSA-N 0 3 161.248 2.242 20 0 AEADHN C[C@H](O)C[C@H](C)N[C@H](C)c1ccco1 252753430 538277667 /nfs/dbraw/zinc/27/76/67/538277667.db2.gz HUGMSZVHABVSGG-LPEHRKFASA-N 0 3 197.278 2.090 20 0 AEADHN C[C@H](O)C[C@@H](C)N[C@H](C)c1ccco1 252753060 538278629 /nfs/dbraw/zinc/27/86/29/538278629.db2.gz HUGMSZVHABVSGG-KXUCPTDWSA-N 0 3 197.278 2.090 20 0 AEADHN C[C@H](O)C[C@H](C)N[C@H](C)c1ccoc1 252761422 538281578 /nfs/dbraw/zinc/28/15/78/538281578.db2.gz MWJYQVHGCJQRKJ-LPEHRKFASA-N 0 3 197.278 2.090 20 0 AEADHN C[C@H](O)C[C@@H](C)N[C@H](C)c1ccoc1 252761421 538281757 /nfs/dbraw/zinc/28/17/57/538281757.db2.gz MWJYQVHGCJQRKJ-KXUCPTDWSA-N 0 3 197.278 2.090 20 0 AEADHN C[C@H]1CCC[C@H](C)N1CCF 306370400 538303839 /nfs/dbraw/zinc/30/38/39/538303839.db2.gz IQHGZSGEIVOYPK-IUCAKERBSA-N 0 3 159.248 2.219 20 0 AEADHN C[C@H]1CCC[C@@H](C)N1CCF 306370398 538304542 /nfs/dbraw/zinc/30/45/42/538304542.db2.gz IQHGZSGEIVOYPK-DTORHVGOSA-N 0 3 159.248 2.219 20 0 AEADHN CCC(CC)[C@@H]1NCCc2nc[nH]c21 307396506 538316047 /nfs/dbraw/zinc/31/60/47/538316047.db2.gz RQRGSLCTSPMWRE-JTQLQIEISA-N 0 3 193.294 2.033 20 0 AEADHN CCC(CC)[C@H]1NCCc2nc[nH]c21 307396507 538316245 /nfs/dbraw/zinc/31/62/45/538316245.db2.gz RQRGSLCTSPMWRE-SNVBAGLBSA-N 0 3 193.294 2.033 20 0 AEADHN CC1(C)CCN(CCF)CC1 307578537 538318203 /nfs/dbraw/zinc/31/82/03/538318203.db2.gz NYNJJCLKPDDTBJ-UHFFFAOYSA-N 0 3 159.248 2.078 20 0 AEADHN CC[C@H]1CN(CCCF)CCS1 379316140 538341157 /nfs/dbraw/zinc/34/11/57/538341157.db2.gz XBXFRAVLWLXFDC-VIFPVBQESA-N 0 3 191.315 2.173 20 0 AEADHN CC[C@@H]1CN(CCCF)CCS1 379316139 538342477 /nfs/dbraw/zinc/34/24/77/538342477.db2.gz XBXFRAVLWLXFDC-SECBINFHSA-N 0 3 191.315 2.173 20 0 AEADHN Cc1cnc(CNCC2(C)CC2)s1 379352552 538356249 /nfs/dbraw/zinc/35/62/49/538356249.db2.gz BWEPQLOBUFJZTA-UHFFFAOYSA-N 0 3 196.319 2.341 20 0 AEADHN CC[C@H](C)N(C)Cc1cccn1C 379351376 538356420 /nfs/dbraw/zinc/35/64/20/538356420.db2.gz AEABEJDWNQQQEW-JTQLQIEISA-N 0 3 180.295 2.255 20 0 AEADHN CC[C@@H](C)N(C)Cc1cccn1C 379351377 538358546 /nfs/dbraw/zinc/35/85/46/538358546.db2.gz AEABEJDWNQQQEW-SNVBAGLBSA-N 0 3 180.295 2.255 20 0 AEADHN CCC(CC)CNCc1cocn1 379352901 538360169 /nfs/dbraw/zinc/36/01/69/538360169.db2.gz DDMGLZFVNAHWKH-UHFFFAOYSA-N 0 3 182.267 2.200 20 0 AEADHN CCCN(C)Cc1ccc(C)cn1 379367920 538367453 /nfs/dbraw/zinc/36/74/53/538367453.db2.gz WGOKZBRINORNKP-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN CCN(CC)Cc1ncccc1C 379366484 538367770 /nfs/dbraw/zinc/36/77/70/538367770.db2.gz KWUWVVREFAWNJM-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN CCCCCN(C)Cc1cn[nH]c1 379374991 538372062 /nfs/dbraw/zinc/37/20/62/538372062.db2.gz OBZDAEDIGCGXKK-UHFFFAOYSA-N 0 3 181.283 2.032 20 0 AEADHN CC1(CCNCc2cscn2)CC1 379383027 538377465 /nfs/dbraw/zinc/37/74/65/538377465.db2.gz JWYOHISMKBWRJK-UHFFFAOYSA-N 0 3 196.319 2.423 20 0 AEADHN Cc1ccccc1CN[C@H](C)CF 379388196 538380620 /nfs/dbraw/zinc/38/06/20/538380620.db2.gz JBGFRBSINUWQIS-SNVBAGLBSA-N 0 3 181.254 2.443 20 0 AEADHN CCCCN1CCO[C@@H](C(C)C)C1 379386367 538380756 /nfs/dbraw/zinc/38/07/56/538380756.db2.gz XLZXRERNLNJCPV-LLVKDONJSA-N 0 3 185.311 2.143 20 0 AEADHN CCCCN1CCO[C@H](C(C)C)C1 379386368 538381198 /nfs/dbraw/zinc/38/11/98/538381198.db2.gz XLZXRERNLNJCPV-NSHDSACASA-N 0 3 185.311 2.143 20 0 AEADHN CCCN(CCC)Cc1ccno1 379393886 538385554 /nfs/dbraw/zinc/38/55/54/538385554.db2.gz VWXJJEXSVINMMR-UHFFFAOYSA-N 0 3 182.267 2.297 20 0 AEADHN CCN(Cc1ccn(C)c1)C1CC1 379395693 538391031 /nfs/dbraw/zinc/39/10/31/538391031.db2.gz AZYVQBQWCWXQHA-UHFFFAOYSA-N 0 3 178.279 2.009 20 0 AEADHN CC[C@H]1CC[C@@H]1NCc1nccs1 379399722 538391483 /nfs/dbraw/zinc/39/14/83/538391483.db2.gz HNQCZBJMMNIPDO-IUCAKERBSA-N 0 3 196.319 2.421 20 0 AEADHN COCC1(NCc2ccsc2)CC1 379401326 538391565 /nfs/dbraw/zinc/39/15/65/538391565.db2.gz KNRRDKXQLWNFQQ-UHFFFAOYSA-N 0 3 197.303 2.017 20 0 AEADHN CC[C@H]1CC[C@H]1NCc1nccs1 379399721 538393600 /nfs/dbraw/zinc/39/36/00/538393600.db2.gz HNQCZBJMMNIPDO-DTWKUNHWSA-N 0 3 196.319 2.421 20 0 AEADHN CC[C@@H]1CC[C@@H]1NCc1nccs1 379399720 538393789 /nfs/dbraw/zinc/39/37/89/538393789.db2.gz HNQCZBJMMNIPDO-BDAKNGLRSA-N 0 3 196.319 2.421 20 0 AEADHN CC[C@@H]1CC[C@H]1NCc1nccs1 379399723 538394439 /nfs/dbraw/zinc/39/44/39/538394439.db2.gz HNQCZBJMMNIPDO-RKDXNWHRSA-N 0 3 196.319 2.421 20 0 AEADHN C[C@@H]1C[C@@H]1CN(C)Cc1ccco1 379406594 538400435 /nfs/dbraw/zinc/40/04/35/538400435.db2.gz WSAAVCRTBDCWHM-NXEZZACHSA-N 0 3 179.263 2.367 20 0 AEADHN C[C@@H]1C[C@H]1CN(C)Cc1ccco1 379406597 538400477 /nfs/dbraw/zinc/40/04/77/538400477.db2.gz WSAAVCRTBDCWHM-ZJUUUORDSA-N 0 3 179.263 2.367 20 0 AEADHN c1coc(CNC2(C3CC3)CC2)c1 379408363 538401072 /nfs/dbraw/zinc/40/10/72/538401072.db2.gz AUEOQOVEZQXWHB-UHFFFAOYSA-N 0 3 177.247 2.312 20 0 AEADHN C[C@H]1C[C@@H]1CN(C)Cc1ccco1 379406596 538401172 /nfs/dbraw/zinc/40/11/72/538401172.db2.gz WSAAVCRTBDCWHM-VHSXEESVSA-N 0 3 179.263 2.367 20 0 AEADHN COCC1(NCc2cccs2)CC1 379407885 538401820 /nfs/dbraw/zinc/40/18/20/538401820.db2.gz ZUNVJTAGAIYYHP-UHFFFAOYSA-N 0 3 197.303 2.017 20 0 AEADHN C[C@H]1C[C@H]1CN(C)Cc1ccco1 379406595 538401895 /nfs/dbraw/zinc/40/18/95/538401895.db2.gz WSAAVCRTBDCWHM-UWVGGRQHSA-N 0 3 179.263 2.367 20 0 AEADHN CCN(Cc1cncs1)CC1CC1 379411637 538403997 /nfs/dbraw/zinc/40/39/97/538403997.db2.gz IQHGPQZZJCPCLC-UHFFFAOYSA-N 0 3 196.319 2.375 20 0 AEADHN CCC(CC)CN1CCOC[C@H]1C 379413578 538406164 /nfs/dbraw/zinc/40/61/64/538406164.db2.gz MASIMVQCAYDARA-SNVBAGLBSA-N 0 3 185.311 2.143 20 0 AEADHN CN(CCCCF)Cc1ccoc1 379412636 538406578 /nfs/dbraw/zinc/40/65/78/538406578.db2.gz KNNONYGBJDAERZ-UHFFFAOYSA-N 0 3 185.242 2.461 20 0 AEADHN CCCCN(CC)Cc1c[nH]cn1 379418354 538409820 /nfs/dbraw/zinc/40/98/20/538409820.db2.gz VYXJWRMLRHDEII-UHFFFAOYSA-N 0 3 181.283 2.032 20 0 AEADHN CCCCN(CC)Cc1cnc[nH]1 379418354 538409824 /nfs/dbraw/zinc/40/98/24/538409824.db2.gz VYXJWRMLRHDEII-UHFFFAOYSA-N 0 3 181.283 2.032 20 0 AEADHN FCCNC1CC(c2ccccc2)C1 379496721 538411065 /nfs/dbraw/zinc/41/10/65/538411065.db2.gz FYWXSGYAEQKQKA-UHFFFAOYSA-N 0 3 193.265 2.492 20 0 AEADHN CC(C)C(NCc1ccon1)C(C)C 379482386 538411604 /nfs/dbraw/zinc/41/16/04/538411604.db2.gz BPMCSQNAGDYDGC-UHFFFAOYSA-N 0 3 196.294 2.445 20 0 AEADHN FCCNCc1cccc2cc[nH]c12 379490879 538412125 /nfs/dbraw/zinc/41/21/25/538412125.db2.gz QANNGHMTFMMZBT-UHFFFAOYSA-N 0 3 192.237 2.227 20 0 AEADHN Cc1cc(CN[C@H](C)C2CCC2)on1 379525914 538412670 /nfs/dbraw/zinc/41/26/70/538412670.db2.gz GKJMZSLOJMAEQL-SECBINFHSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1cc(CN[C@@H](C)C2CCC2)on1 379525922 538412685 /nfs/dbraw/zinc/41/26/85/538412685.db2.gz GKJMZSLOJMAEQL-VIFPVBQESA-N 0 3 194.278 2.261 20 0 AEADHN C[C@@H](NCCCCF)c1ccccn1 379501205 538414034 /nfs/dbraw/zinc/41/40/34/538414034.db2.gz JIMQBQRQBSOVNE-SNVBAGLBSA-N 0 3 196.269 2.482 20 0 AEADHN CCCC(C)(C)NCc1n[nH]cc1C 379564483 538414949 /nfs/dbraw/zinc/41/49/49/538414949.db2.gz AXMXXFNIARWPOO-UHFFFAOYSA-N 0 3 195.310 2.386 20 0 AEADHN CCOC[C@@H](C)NCc1ccoc1C 379566168 538415509 /nfs/dbraw/zinc/41/55/09/538415509.db2.gz CJSYHXNOXRPUEW-SECBINFHSA-N 0 3 197.278 2.103 20 0 AEADHN Cc1cc(CN[C@H](C)C2CCC2)no1 379572539 538416205 /nfs/dbraw/zinc/41/62/05/538416205.db2.gz ICUNDLQPDHEFNU-SECBINFHSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1cc(CN[C@@H](C)C2CCC2)no1 379572542 538416188 /nfs/dbraw/zinc/41/61/88/538416188.db2.gz ICUNDLQPDHEFNU-VIFPVBQESA-N 0 3 194.278 2.261 20 0 AEADHN Cc1c[nH]nc1CNCCC(C)(C)C 379574893 538416788 /nfs/dbraw/zinc/41/67/88/538416788.db2.gz LENSHIQGMPNKBV-UHFFFAOYSA-N 0 3 195.310 2.244 20 0 AEADHN CO[C@@H](C)CCN[C@@H](C)c1ccoc1 379584171 538417935 /nfs/dbraw/zinc/41/79/35/538417935.db2.gz NYNBVWLJUOUVSH-UWVGGRQHSA-N 0 3 197.278 2.355 20 0 AEADHN CO[C@@H](C)CCN[C@H](C)c1ccoc1 379584172 538418044 /nfs/dbraw/zinc/41/80/44/538418044.db2.gz NYNBVWLJUOUVSH-VHSXEESVSA-N 0 3 197.278 2.355 20 0 AEADHN CO[C@H](C)CCN[C@H](C)c1ccoc1 379584170 538418246 /nfs/dbraw/zinc/41/82/46/538418246.db2.gz NYNBVWLJUOUVSH-NXEZZACHSA-N 0 3 197.278 2.355 20 0 AEADHN CO[C@H](C)CCN[C@@H](C)c1ccoc1 379584173 538418564 /nfs/dbraw/zinc/41/85/64/538418564.db2.gz NYNBVWLJUOUVSH-ZJUUUORDSA-N 0 3 197.278 2.355 20 0 AEADHN COCC[C@@H](C)NCc1ccoc1C 379589887 538418968 /nfs/dbraw/zinc/41/89/68/538418968.db2.gz VRZAPWUWDZMTOM-SECBINFHSA-N 0 3 197.278 2.103 20 0 AEADHN COCC[C@H](C)NCc1ccoc1C 379589888 538419008 /nfs/dbraw/zinc/41/90/08/538419008.db2.gz VRZAPWUWDZMTOM-VIFPVBQESA-N 0 3 197.278 2.103 20 0 AEADHN CC[C@@H](CN[C@H](C)c1ccoc1)OC 379598544 538419550 /nfs/dbraw/zinc/41/95/50/538419550.db2.gz HQAOFZGOZAHCIA-KOLCDFICSA-N 0 3 197.278 2.355 20 0 AEADHN Cc1ccccc1C[C@H](C)NCCF 379663928 538427034 /nfs/dbraw/zinc/42/70/34/538427034.db2.gz UEMNRPRUNTUYMU-NSHDSACASA-N 0 3 195.281 2.485 20 0 AEADHN CC[C@@H](CN[C@@H](C)c1ccoc1)OC 379598546 538420093 /nfs/dbraw/zinc/42/00/93/538420093.db2.gz HQAOFZGOZAHCIA-ONGXEEELSA-N 0 3 197.278 2.355 20 0 AEADHN CC[C@@H](C)N[C@H](CC)c1ccn(C)n1 379599398 538420287 /nfs/dbraw/zinc/42/02/87/538420287.db2.gz JJJJPXDSMFYQIA-NXEZZACHSA-N 0 3 195.310 2.259 20 0 AEADHN CC[C@H](C)N[C@H](CC)c1ccn(C)n1 379599400 538420332 /nfs/dbraw/zinc/42/03/32/538420332.db2.gz JJJJPXDSMFYQIA-VHSXEESVSA-N 0 3 195.310 2.259 20 0 AEADHN CC[C@H](CN[C@H](C)c1ccoc1)OC 379598545 538420628 /nfs/dbraw/zinc/42/06/28/538420628.db2.gz HQAOFZGOZAHCIA-MWLCHTKSSA-N 0 3 197.278 2.355 20 0 AEADHN CC[C@H](C)N[C@@H](CC)c1ccn(C)n1 379599399 538420671 /nfs/dbraw/zinc/42/06/71/538420671.db2.gz JJJJPXDSMFYQIA-UWVGGRQHSA-N 0 3 195.310 2.259 20 0 AEADHN CC[C@H](CN[C@@H](C)c1ccoc1)OC 379598543 538420770 /nfs/dbraw/zinc/42/07/70/538420770.db2.gz HQAOFZGOZAHCIA-GXSJLCMTSA-N 0 3 197.278 2.355 20 0 AEADHN CC[C@H](N[C@H](C)CC)c1ccn(C)n1 379599401 538420804 /nfs/dbraw/zinc/42/08/04/538420804.db2.gz JJJJPXDSMFYQIA-ZJUUUORDSA-N 0 3 195.310 2.259 20 0 AEADHN CCC(C)(C)NCc1cc(C)n(C)n1 379603240 538421168 /nfs/dbraw/zinc/42/11/68/538421168.db2.gz NPISRYHZNPJROR-UHFFFAOYSA-N 0 3 195.310 2.007 20 0 AEADHN CC[C@H](CNCc1ccc(C)o1)OC 379611561 538422660 /nfs/dbraw/zinc/42/26/60/538422660.db2.gz UPKDBOFCGGPTKR-SNVBAGLBSA-N 0 3 197.278 2.103 20 0 AEADHN CC[C@@H](CNCc1ccc(C)o1)OC 379611560 538423210 /nfs/dbraw/zinc/42/32/10/538423210.db2.gz UPKDBOFCGGPTKR-JTQLQIEISA-N 0 3 197.278 2.103 20 0 AEADHN CC(C)[C@@H](NCc1cocn1)C1CC1 379622480 538424414 /nfs/dbraw/zinc/42/44/14/538424414.db2.gz GWKCOMPHOPYSCB-LLVKDONJSA-N 0 3 194.278 2.199 20 0 AEADHN CC[C@@H](NC1CCC1)c1nccn1C 379625980 538424515 /nfs/dbraw/zinc/42/45/15/538424515.db2.gz KCKJALDYXQBDBA-SNVBAGLBSA-N 0 3 193.294 2.013 20 0 AEADHN CC[C@H](NC1CCC1)c1nccn1C 379625979 538424879 /nfs/dbraw/zinc/42/48/79/538424879.db2.gz KCKJALDYXQBDBA-JTQLQIEISA-N 0 3 193.294 2.013 20 0 AEADHN FCCNC[C@H]1C[C@@H]1c1ccccc1 379637817 538424953 /nfs/dbraw/zinc/42/49/53/538424953.db2.gz SDNCITIHQASWRR-VXGBXAGGSA-N 0 3 193.265 2.349 20 0 AEADHN CC[C@H](NC1CCC1)c1ccn(C)n1 379642107 538425042 /nfs/dbraw/zinc/42/50/42/538425042.db2.gz VSVACIOPSPKXIT-JTQLQIEISA-N 0 3 193.294 2.013 20 0 AEADHN FCCNC[C@H]1C[C@H]1c1ccccc1 379637808 538425083 /nfs/dbraw/zinc/42/50/83/538425083.db2.gz SDNCITIHQASWRR-NEPJUHHUSA-N 0 3 193.265 2.349 20 0 AEADHN FCCNC[C@@H]1C[C@@H]1c1ccccc1 379637815 538425306 /nfs/dbraw/zinc/42/53/06/538425306.db2.gz SDNCITIHQASWRR-NWDGAFQWSA-N 0 3 193.265 2.349 20 0 AEADHN CC(C)[C@H](NCc1cocn1)C1CC1 379622484 538425313 /nfs/dbraw/zinc/42/53/13/538425313.db2.gz GWKCOMPHOPYSCB-NSHDSACASA-N 0 3 194.278 2.199 20 0 AEADHN CC[C@@H](NC1CCC1)c1ccn(C)n1 379642108 538425531 /nfs/dbraw/zinc/42/55/31/538425531.db2.gz VSVACIOPSPKXIT-SNVBAGLBSA-N 0 3 193.294 2.013 20 0 AEADHN c1ccc(CNC2(C3CC3)CC2)nc1 379650119 538425712 /nfs/dbraw/zinc/42/57/12/538425712.db2.gz DLFJAYNIPUNZGC-UHFFFAOYSA-N 0 3 188.274 2.114 20 0 AEADHN CCC[C@@H](C)NCc1ccc(F)cn1 379647842 538425855 /nfs/dbraw/zinc/42/58/55/538425855.db2.gz AZZJWNSEGAXTCK-SECBINFHSA-N 0 3 196.269 2.499 20 0 AEADHN CC[C@@H]1CCC[C@@H]1NCc1cocn1 379651819 538425898 /nfs/dbraw/zinc/42/58/98/538425898.db2.gz FXWKLGUJADSMCH-KOLCDFICSA-N 0 3 194.278 2.343 20 0 AEADHN CC[C@@H]1CCC[C@H]1NCc1cocn1 379651821 538425953 /nfs/dbraw/zinc/42/59/53/538425953.db2.gz FXWKLGUJADSMCH-MWLCHTKSSA-N 0 3 194.278 2.343 20 0 AEADHN CCC[C@H](C)NCc1ccc(F)cn1 379647843 538426024 /nfs/dbraw/zinc/42/60/24/538426024.db2.gz AZZJWNSEGAXTCK-VIFPVBQESA-N 0 3 196.269 2.499 20 0 AEADHN C[C@H](CCC1CC1)NCc1cc[nH]n1 379648512 538426276 /nfs/dbraw/zinc/42/62/76/538426276.db2.gz BQSZFMDBSJXTOI-SECBINFHSA-N 0 3 193.294 2.078 20 0 AEADHN CCC(CC)CNCc1n[nH]cc1C 379653977 538426302 /nfs/dbraw/zinc/42/63/02/538426302.db2.gz IJWCEHUGRDFSHE-UHFFFAOYSA-N 0 3 195.310 2.244 20 0 AEADHN C[C@H](N[C@@H](C)C(C)(C)O)c1ccoc1 379647663 538426362 /nfs/dbraw/zinc/42/63/62/538426362.db2.gz ZYEJJDDWEHUIPJ-IUCAKERBSA-N 0 3 197.278 2.090 20 0 AEADHN CC[C@H]1CCC[C@@H]1NCc1cocn1 379651824 538426473 /nfs/dbraw/zinc/42/64/73/538426473.db2.gz FXWKLGUJADSMCH-ONGXEEELSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@H](N[C@H](C)c1ccoc1)C(C)(C)O 379647661 538426492 /nfs/dbraw/zinc/42/64/92/538426492.db2.gz ZYEJJDDWEHUIPJ-BDAKNGLRSA-N 0 3 197.278 2.090 20 0 AEADHN C[C@@H](CCC1CC1)NCc1cc[nH]n1 379648513 538426571 /nfs/dbraw/zinc/42/65/71/538426571.db2.gz BQSZFMDBSJXTOI-VIFPVBQESA-N 0 3 193.294 2.078 20 0 AEADHN CC1(CCNCc2ccccn2)CC1 379647603 538426643 /nfs/dbraw/zinc/42/66/43/538426643.db2.gz ZSJISKFLLBSBJC-UHFFFAOYSA-N 0 3 190.290 2.361 20 0 AEADHN CC[C@H]1CCC[C@H]1NCc1cocn1 379651816 538426668 /nfs/dbraw/zinc/42/66/68/538426668.db2.gz FXWKLGUJADSMCH-GXSJLCMTSA-N 0 3 194.278 2.343 20 0 AEADHN Cc1ccccc1C[C@@H](C)NCCF 379663927 538426838 /nfs/dbraw/zinc/42/68/38/538426838.db2.gz UEMNRPRUNTUYMU-LLVKDONJSA-N 0 3 195.281 2.485 20 0 AEADHN CCCCN1C[C@@H](C)OC[C@@H]1CC 388317484 538430942 /nfs/dbraw/zinc/43/09/42/538430942.db2.gz VTEVHDJFHJHIKE-MNOVXSKESA-N 0 3 185.311 2.286 20 0 AEADHN CCCCN1C[C@@H](C)OC[C@H]1CC 388317481 538430946 /nfs/dbraw/zinc/43/09/46/538430946.db2.gz VTEVHDJFHJHIKE-GHMZBOCLSA-N 0 3 185.311 2.286 20 0 AEADHN CCOCCN(C)[C@@H]1C=CCCC1 388282012 538430952 /nfs/dbraw/zinc/43/09/52/538430952.db2.gz NDEFENNAKLXEMU-LLVKDONJSA-N 0 3 183.295 2.063 20 0 AEADHN CCCCCN1CCO[C@@H](C)[C@H]1C 388284316 538430959 /nfs/dbraw/zinc/43/09/59/538430959.db2.gz PEPJPBPREGPIHQ-MNOVXSKESA-N 0 3 185.311 2.286 20 0 AEADHN CCCCN1C[C@H](C)OC[C@H]1CC 388317495 538431202 /nfs/dbraw/zinc/43/12/02/538431202.db2.gz VTEVHDJFHJHIKE-WDEREUQCSA-N 0 3 185.311 2.286 20 0 AEADHN CCCCCN1CCO[C@@H](C)[C@@H]1C 388284317 538431216 /nfs/dbraw/zinc/43/12/16/538431216.db2.gz PEPJPBPREGPIHQ-QWRGUYRKSA-N 0 3 185.311 2.286 20 0 AEADHN CCOCCN(C)[C@H]1C=CCCC1 388282013 538430894 /nfs/dbraw/zinc/43/08/94/538430894.db2.gz NDEFENNAKLXEMU-NSHDSACASA-N 0 3 183.295 2.063 20 0 AEADHN CCCCCN1CCO[C@H](C)[C@@H]1C 388284318 538431155 /nfs/dbraw/zinc/43/11/55/538431155.db2.gz PEPJPBPREGPIHQ-WDEREUQCSA-N 0 3 185.311 2.286 20 0 AEADHN CCCCN1C[C@H](C)OC[C@@H]1CC 388317491 538431179 /nfs/dbraw/zinc/43/11/79/538431179.db2.gz VTEVHDJFHJHIKE-QWRGUYRKSA-N 0 3 185.311 2.286 20 0 AEADHN CCCCCN1CCO[C@H](C)[C@H]1C 388284315 538431192 /nfs/dbraw/zinc/43/11/92/538431192.db2.gz PEPJPBPREGPIHQ-GHMZBOCLSA-N 0 3 185.311 2.286 20 0 AEADHN CCN(CC)Cc1cc(C)ccn1 388331092 538431431 /nfs/dbraw/zinc/43/14/31/538431431.db2.gz FDCBADZEEDTMMG-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN CCN[C@@H](CC)c1c(C)noc1C 388624819 538435269 /nfs/dbraw/zinc/43/52/69/538435269.db2.gz GMMDEBWGJBRXEO-VIFPVBQESA-N 0 3 182.267 2.352 20 0 AEADHN CCC(C)(C)N(C)Cc1cn[nH]c1 388627603 538435029 /nfs/dbraw/zinc/43/50/29/538435029.db2.gz JOWAPUCISRKKOH-UHFFFAOYSA-N 0 3 181.283 2.030 20 0 AEADHN CCN[C@H](CC)c1c(C)noc1C 388624817 538435163 /nfs/dbraw/zinc/43/51/63/538435163.db2.gz GMMDEBWGJBRXEO-SECBINFHSA-N 0 3 182.267 2.352 20 0 AEADHN FCCNCc1cccc2[nH]ccc12 388661240 538435792 /nfs/dbraw/zinc/43/57/92/538435792.db2.gz CXAGCKBUKVRTDP-UHFFFAOYSA-N 0 3 192.237 2.227 20 0 AEADHN CCCC[C@H](COC)N[C@H](C)CF 388753985 538437045 /nfs/dbraw/zinc/43/70/45/538437045.db2.gz CJLAPTINTIQCHO-NXEZZACHSA-N 0 3 191.290 2.139 20 0 AEADHN CCC[C@H]1CN(CC(C)C)CCO1 388788568 538437807 /nfs/dbraw/zinc/43/78/07/538437807.db2.gz LMCSDMVWZBOMNW-NSHDSACASA-N 0 3 185.311 2.143 20 0 AEADHN CCCC[C@@H](COC)N[C@H](C)CF 388753993 538437310 /nfs/dbraw/zinc/43/73/10/538437310.db2.gz CJLAPTINTIQCHO-ZJUUUORDSA-N 0 3 191.290 2.139 20 0 AEADHN CCC[C@H](CC)NCc1cocn1 388796180 538437592 /nfs/dbraw/zinc/43/75/92/538437592.db2.gz NFYXLSQDTZITGX-VIFPVBQESA-N 0 3 182.267 2.343 20 0 AEADHN CCC[C@@H](CC)NCc1cocn1 388796176 538437762 /nfs/dbraw/zinc/43/77/62/538437762.db2.gz NFYXLSQDTZITGX-SECBINFHSA-N 0 3 182.267 2.343 20 0 AEADHN CCC[C@@H]1CN(CC(C)C)CCO1 388788562 538438016 /nfs/dbraw/zinc/43/80/16/538438016.db2.gz LMCSDMVWZBOMNW-LLVKDONJSA-N 0 3 185.311 2.143 20 0 AEADHN C[C@@H](Cc1ccccc1F)NCCF 388850214 538438314 /nfs/dbraw/zinc/43/83/14/538438314.db2.gz ZTQGVILGUHPOKL-VIFPVBQESA-N 0 3 199.244 2.316 20 0 AEADHN CC[C@H](NCc1cocn1)C(C)C 388850804 538438251 /nfs/dbraw/zinc/43/82/51/538438251.db2.gz AVEGLAQZSVVXNC-JTQLQIEISA-N 0 3 182.267 2.199 20 0 AEADHN CC[C@@H](NCc1cocn1)C(C)C 388850805 538438348 /nfs/dbraw/zinc/43/83/48/538438348.db2.gz AVEGLAQZSVVXNC-SNVBAGLBSA-N 0 3 182.267 2.199 20 0 AEADHN C[C@H](Cc1ccccc1F)NCCF 388850211 538438361 /nfs/dbraw/zinc/43/83/61/538438361.db2.gz ZTQGVILGUHPOKL-SECBINFHSA-N 0 3 199.244 2.316 20 0 AEADHN CCN(CC)Cc1cncc(C)c1 388835897 538438450 /nfs/dbraw/zinc/43/84/50/538438450.db2.gz XLDHNAKVDVPHBK-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN Cc1cncc([C@H](C)NCCCF)c1 389222894 538439189 /nfs/dbraw/zinc/43/91/89/538439189.db2.gz OEOQZPGSBMMMBM-JTQLQIEISA-N 0 3 196.269 2.400 20 0 AEADHN Cc1cncc([C@@H](C)NCCCF)c1 389222895 538439525 /nfs/dbraw/zinc/43/95/25/538439525.db2.gz OEOQZPGSBMMMBM-SNVBAGLBSA-N 0 3 196.269 2.400 20 0 AEADHN Cc1c[nH]nc1CNC(C)(C)C(C)C 389254923 538439870 /nfs/dbraw/zinc/43/98/70/538439870.db2.gz FVMPVMLHOFGGNY-UHFFFAOYSA-N 0 3 195.310 2.242 20 0 AEADHN CC[C@H](C)CNCc1ccc(F)cn1 389290867 538440457 /nfs/dbraw/zinc/44/04/57/538440457.db2.gz ZDKICBAATTZOSA-VIFPVBQESA-N 0 3 196.269 2.356 20 0 AEADHN c1nc(CNCC2CCCCC2)co1 389285574 538440496 /nfs/dbraw/zinc/44/04/96/538440496.db2.gz VITZTAZNIGCCMZ-UHFFFAOYSA-N 0 3 194.278 2.345 20 0 AEADHN COCCC(C)(C)NCc1ccco1 389277706 538440748 /nfs/dbraw/zinc/44/07/48/538440748.db2.gz PZHUIJOXWXNVGH-UHFFFAOYSA-N 0 3 197.278 2.184 20 0 AEADHN CC(C)NCc1cnn(C2CCC2)c1 675053317 538448364 /nfs/dbraw/zinc/44/83/64/538448364.db2.gz HSCZIWWMARWDML-UHFFFAOYSA-N 0 3 193.294 2.106 20 0 AEADHN CCOCCCN[C@H](C)c1ccco1 19962940 541301666 /nfs/dbraw/zinc/30/16/66/541301666.db2.gz NWVZSTBMJFRBHF-SNVBAGLBSA-N 0 3 197.278 2.357 20 0 AEADHN CC[C@@H](NC1CC1)c1ccc(F)cn1 158795790 541310138 /nfs/dbraw/zinc/31/01/38/541310138.db2.gz KLCGUXGPLDTQLZ-SNVBAGLBSA-N 0 3 194.253 2.424 20 0 AEADHN CC[C@H](NC1CC1)c1ccc(F)cn1 158795648 541310385 /nfs/dbraw/zinc/31/03/85/541310385.db2.gz KLCGUXGPLDTQLZ-JTQLQIEISA-N 0 3 194.253 2.424 20 0 AEADHN CCc1cc(CN[C@@H](C)C(C)C)on1 168169214 541313042 /nfs/dbraw/zinc/31/30/42/541313042.db2.gz HAAFHXIBSCEYOK-VIFPVBQESA-N 0 3 196.294 2.371 20 0 AEADHN CCc1cc(CN[C@H](C)C(C)C)on1 168169307 541313278 /nfs/dbraw/zinc/31/32/78/541313278.db2.gz HAAFHXIBSCEYOK-SECBINFHSA-N 0 3 196.294 2.371 20 0 AEADHN CC(C)N(Cc1cccnc1)C1CC1 202673443 541315126 /nfs/dbraw/zinc/31/51/26/541315126.db2.gz NUDQWRRCVUWXAQ-UHFFFAOYSA-N 0 3 190.290 2.454 20 0 AEADHN CCC[C@@H](C)N1C[C@H](C)O[C@H](C)C1 202764777 541315444 /nfs/dbraw/zinc/31/54/44/541315444.db2.gz WJFAVWRNUHGOQJ-MXWKQRLJSA-N 0 3 185.311 2.284 20 0 AEADHN COc1cccc([C@H]2C[C@H](F)CN2)c1 219852578 541317602 /nfs/dbraw/zinc/31/76/02/541317602.db2.gz FITICTZUDJSPSF-GXSJLCMTSA-N 0 3 195.237 2.068 20 0 AEADHN Cc1ccccc1[C@@H]1C[C@@H](F)CN1 219535298 541317609 /nfs/dbraw/zinc/31/76/09/541317609.db2.gz MZGZLLMJRVTCJD-KOLCDFICSA-N 0 3 179.238 2.368 20 0 AEADHN Cc1ccccc1[C@H]1C[C@@H](F)CN1 219535366 541317662 /nfs/dbraw/zinc/31/76/62/541317662.db2.gz MZGZLLMJRVTCJD-MWLCHTKSSA-N 0 3 179.238 2.368 20 0 AEADHN Cc1ccccc1[C@H]1C[C@H](F)CN1 219535220 541317709 /nfs/dbraw/zinc/31/77/09/541317709.db2.gz MZGZLLMJRVTCJD-GXSJLCMTSA-N 0 3 179.238 2.368 20 0 AEADHN Cc1cccc([C@H]2C[C@H](F)CN2)c1 219535849 541317736 /nfs/dbraw/zinc/31/77/36/541317736.db2.gz SYPGUZIWFUVTCU-WDEREUQCSA-N 0 3 179.238 2.368 20 0 AEADHN COc1ccc([C@H]2C[C@@H](F)CN2)cc1 219852221 541317747 /nfs/dbraw/zinc/31/77/47/541317747.db2.gz ZOQFGEOZXSCGBQ-MWLCHTKSSA-N 0 3 195.237 2.068 20 0 AEADHN COc1cccc([C@@H]2C[C@H](F)CN2)c1 219852526 541317769 /nfs/dbraw/zinc/31/77/69/541317769.db2.gz FITICTZUDJSPSF-ONGXEEELSA-N 0 3 195.237 2.068 20 0 AEADHN Cc1cccc([C@@H]2C[C@H](F)CN2)c1 219535788 541317779 /nfs/dbraw/zinc/31/77/79/541317779.db2.gz SYPGUZIWFUVTCU-QWRGUYRKSA-N 0 3 179.238 2.368 20 0 AEADHN Cc1ccc([C@H]2C[C@@H](F)CN2)cc1 219535698 541317877 /nfs/dbraw/zinc/31/78/77/541317877.db2.gz NYLMARIQKWDDFQ-GHMZBOCLSA-N 0 3 179.238 2.368 20 0 AEADHN Cc1cccc([C@H]2C[C@@H](F)CN2)c1 219536004 541318035 /nfs/dbraw/zinc/31/80/35/541318035.db2.gz SYPGUZIWFUVTCU-GHMZBOCLSA-N 0 3 179.238 2.368 20 0 AEADHN COc1ccc([C@H]2C[C@H](F)CN2)cc1 219852124 541318101 /nfs/dbraw/zinc/31/81/01/541318101.db2.gz ZOQFGEOZXSCGBQ-GXSJLCMTSA-N 0 3 195.237 2.068 20 0 AEADHN Cc1ccc([C@@H]2C[C@H](F)CN2)cc1 219535473 541318182 /nfs/dbraw/zinc/31/81/82/541318182.db2.gz NYLMARIQKWDDFQ-QWRGUYRKSA-N 0 3 179.238 2.368 20 0 AEADHN COc1ccc([C@@H]2C[C@@H](F)CN2)cc1 219852174 541318249 /nfs/dbraw/zinc/31/82/49/541318249.db2.gz ZOQFGEOZXSCGBQ-KOLCDFICSA-N 0 3 195.237 2.068 20 0 AEADHN Cc1ccc([C@H]2C[C@H](F)CN2)cc1 219535540 541318277 /nfs/dbraw/zinc/31/82/77/541318277.db2.gz NYLMARIQKWDDFQ-WDEREUQCSA-N 0 3 179.238 2.368 20 0 AEADHN COc1cccc([C@@H]2C[C@@H](F)CN2)c1 219852629 541318285 /nfs/dbraw/zinc/31/82/85/541318285.db2.gz FITICTZUDJSPSF-KOLCDFICSA-N 0 3 195.237 2.068 20 0 AEADHN COc1ccc([C@@H]2C[C@H](F)CN2)cc1 219852072 541318339 /nfs/dbraw/zinc/31/83/39/541318339.db2.gz ZOQFGEOZXSCGBQ-ONGXEEELSA-N 0 3 195.237 2.068 20 0 AEADHN COc1cccc([C@H]2C[C@@H](F)CN2)c1 219852675 541318344 /nfs/dbraw/zinc/31/83/44/541318344.db2.gz FITICTZUDJSPSF-MWLCHTKSSA-N 0 3 195.237 2.068 20 0 AEADHN Cc1ccc([C@@H]2C[C@@H](F)CN2)cc1 219535614 541318381 /nfs/dbraw/zinc/31/83/81/541318381.db2.gz NYLMARIQKWDDFQ-MNOVXSKESA-N 0 3 179.238 2.368 20 0 AEADHN Cc1ccccc1[C@@H]1C[C@H](F)CN1 219535162 541318425 /nfs/dbraw/zinc/31/84/25/541318425.db2.gz MZGZLLMJRVTCJD-ONGXEEELSA-N 0 3 179.238 2.368 20 0 AEADHN Cc1cccc([C@@H]2C[C@@H](F)CN2)c1 219535930 541318434 /nfs/dbraw/zinc/31/84/34/541318434.db2.gz SYPGUZIWFUVTCU-MNOVXSKESA-N 0 3 179.238 2.368 20 0 AEADHN C[C@@H]1CCC[C@@H](C)N1CCF 306229087 541328169 /nfs/dbraw/zinc/32/81/69/541328169.db2.gz IQHGZSGEIVOYPK-RKDXNWHRSA-N 0 3 159.248 2.219 20 0 AEADHN CCC1(C)CCN(CCF)CC1 307026686 541330460 /nfs/dbraw/zinc/33/04/60/541330460.db2.gz YTSNLRDYHPJQJG-UHFFFAOYSA-N 0 3 173.275 2.468 20 0 AEADHN CCN(CCOC)Cc1ccsc1 379373656 541338405 /nfs/dbraw/zinc/33/84/05/541338405.db2.gz LQHSROZAEMZEPJ-UHFFFAOYSA-N 0 3 199.319 2.216 20 0 AEADHN CC(C)=CCN[C@H](C)c1c[nH]nc1C 381563550 541340001 /nfs/dbraw/zinc/34/00/01/541340001.db2.gz YBKABGNKXGKZBC-SECBINFHSA-N 0 3 193.294 2.335 20 0 AEADHN CC(C)=CCN[C@@H](C)c1c[nH]nc1C 381563570 541340281 /nfs/dbraw/zinc/34/02/81/541340281.db2.gz YBKABGNKXGKZBC-VIFPVBQESA-N 0 3 193.294 2.335 20 0 AEADHN CCc1cccnc1[C@@H](C)NC1CC1 389336731 541342551 /nfs/dbraw/zinc/34/25/51/541342551.db2.gz WUBAYAQGMSSEQK-SECBINFHSA-N 0 3 190.290 2.457 20 0 AEADHN CC[C@@H](CNCc1occc1C)OC 389323923 541342732 /nfs/dbraw/zinc/34/27/32/541342732.db2.gz SIUZMQGCZREKER-JTQLQIEISA-N 0 3 197.278 2.103 20 0 AEADHN CO[C@H](C)CCN[C@H](C)c1ccco1 389329368 541342822 /nfs/dbraw/zinc/34/28/22/541342822.db2.gz UKYMYYYKJXPHEK-NXEZZACHSA-N 0 3 197.278 2.355 20 0 AEADHN CCc1cccnc1[C@H](C)NC1CC1 389336734 541342976 /nfs/dbraw/zinc/34/29/76/541342976.db2.gz WUBAYAQGMSSEQK-VIFPVBQESA-N 0 3 190.290 2.457 20 0 AEADHN CO[C@@H](C)CCN[C@@H](C)c1ccco1 389329369 541343086 /nfs/dbraw/zinc/34/30/86/541343086.db2.gz UKYMYYYKJXPHEK-UWVGGRQHSA-N 0 3 197.278 2.355 20 0 AEADHN CO[C@@H](C)CCN[C@H](C)c1ccco1 389329370 541343257 /nfs/dbraw/zinc/34/32/57/541343257.db2.gz UKYMYYYKJXPHEK-VHSXEESVSA-N 0 3 197.278 2.355 20 0 AEADHN CO[C@H](C)CCN[C@@H](C)c1ccco1 389329371 541343308 /nfs/dbraw/zinc/34/33/08/541343308.db2.gz UKYMYYYKJXPHEK-ZJUUUORDSA-N 0 3 197.278 2.355 20 0 AEADHN CC[C@H](CNCc1occc1C)OC 389323925 541343651 /nfs/dbraw/zinc/34/36/51/541343651.db2.gz SIUZMQGCZREKER-SNVBAGLBSA-N 0 3 197.278 2.103 20 0 AEADHN Cc1cc2cc(N)ccc2cn1 95630910 756983626 /nfs/dbraw/zinc/98/36/26/756983626.db2.gz LWTQIJLYJZDJQP-UHFFFAOYSA-N 0 3 158.204 2.125 20 0 AEADHN Cc1cccnc1CNC1(C)CC1 164024128 757005459 /nfs/dbraw/zinc/00/54/59/757005459.db2.gz PBKSJKSBMOXJLL-UHFFFAOYSA-N 0 3 176.263 2.032 20 0 AEADHN c1ccc(CN2CC3(CC3)C2)cc1 334742983 757119523 /nfs/dbraw/zinc/11/95/23/757119523.db2.gz PEPOEZDQXXKQRF-UHFFFAOYSA-N 0 3 173.259 2.282 20 0 AEADHN CCCCCCNCc1nc(C)c[nH]1 693477339 757392086 /nfs/dbraw/zinc/39/20/86/757392086.db2.gz LYFMPSGCBSTUFA-UHFFFAOYSA-N 0 3 195.310 2.388 20 0 AEADHN CC(C)=CCCN1CC(O)(C(C)C)C1 697616866 757438118 /nfs/dbraw/zinc/43/81/18/757438118.db2.gz COBGMSKWLVRHTL-UHFFFAOYSA-N 0 3 197.322 2.045 20 0 AEADHN Cc1occc1CN[C@H]1C=CCC1 698203726 757449777 /nfs/dbraw/zinc/44/97/77/757449777.db2.gz ICZPEYNLPPIEFX-NSHDSACASA-N 0 3 177.247 2.396 20 0 AEADHN Cc1occc1CN[C@@H]1C=CCC1 698203724 757451745 /nfs/dbraw/zinc/45/17/45/757451745.db2.gz ICZPEYNLPPIEFX-LLVKDONJSA-N 0 3 177.247 2.396 20 0 AEADHN C[C@H](N[C@@H]1C=CCC1)c1ccccn1 698302315 757453636 /nfs/dbraw/zinc/45/36/36/757453636.db2.gz XKTZBEKAELZEOU-WDEREUQCSA-N 0 3 188.274 2.451 20 0 AEADHN Cc1ncc(CN[C@@H]2C=CCC2)s1 698282116 757453824 /nfs/dbraw/zinc/45/38/24/757453824.db2.gz BMDZBGZIHCDCKT-SECBINFHSA-N 0 3 194.303 2.260 20 0 AEADHN C[C@@H](N[C@@H]1C=CCC1)c1ccccn1 698302306 757453866 /nfs/dbraw/zinc/45/38/66/757453866.db2.gz XKTZBEKAELZEOU-GHMZBOCLSA-N 0 3 188.274 2.451 20 0 AEADHN Cc1ccc(CN[C@@H]2C=CCC2)nc1 698302409 757455774 /nfs/dbraw/zinc/45/57/74/757455774.db2.gz YPDAAISGQUHADT-LLVKDONJSA-N 0 3 188.274 2.198 20 0 AEADHN C[C@H](N[C@H]1C=CCC1)c1ccccn1 698302313 757456553 /nfs/dbraw/zinc/45/65/53/757456553.db2.gz XKTZBEKAELZEOU-QWRGUYRKSA-N 0 3 188.274 2.451 20 0 AEADHN Oc1cccc(CN[C@@H]2C=CCC2)c1 698298339 757456754 /nfs/dbraw/zinc/45/67/54/757456754.db2.gz FYSHFQPDSURWRD-LLVKDONJSA-N 0 3 189.258 2.200 20 0 AEADHN Oc1cccc(CN[C@H]2C=CCC2)c1 698298343 757456883 /nfs/dbraw/zinc/45/68/83/757456883.db2.gz FYSHFQPDSURWRD-NSHDSACASA-N 0 3 189.258 2.200 20 0 AEADHN Cc1ccc(CN[C@H]2C=CCC2)nc1 698302411 757457258 /nfs/dbraw/zinc/45/72/58/757457258.db2.gz YPDAAISGQUHADT-NSHDSACASA-N 0 3 188.274 2.198 20 0 AEADHN Cc1ncc(CN[C@H]2C=CCC2)s1 698282119 757457309 /nfs/dbraw/zinc/45/73/09/757457309.db2.gz BMDZBGZIHCDCKT-VIFPVBQESA-N 0 3 194.303 2.260 20 0 AEADHN C[C@@H](N[C@H]1C=CCC1)c1ccccn1 698302309 757457864 /nfs/dbraw/zinc/45/78/64/757457864.db2.gz XKTZBEKAELZEOU-MNOVXSKESA-N 0 3 188.274 2.451 20 0 AEADHN CCCCN(CC)Cc1cc(C)n[nH]1 1116438327 757612759 /nfs/dbraw/zinc/61/27/59/757612759.db2.gz BLGACZXZMPWDQH-UHFFFAOYSA-N 0 3 195.310 2.340 20 0 AEADHN CC(C)C[C@@H](C)N1CC(O)(C(C)C)C1 308475866 573017379 /nfs/dbraw/zinc/01/73/79/573017379.db2.gz KYODCVTXXWVVJI-LLVKDONJSA-N 0 3 199.338 2.124 20 0 AEADHN CCN(Cc1nccnc1C)C(C)C 1140935605 757946708 /nfs/dbraw/zinc/94/67/08/757946708.db2.gz VPJWOSWKIXRFBU-UHFFFAOYSA-N 0 3 193.294 2.015 20 0 AEADHN CC[C@@H]1Oc2c(F)cc(F)cc2[C@H]1N 82759812 573177354 /nfs/dbraw/zinc/17/73/54/573177354.db2.gz OMNJVOCAPGAONI-DTWKUNHWSA-N 0 3 199.200 2.136 20 0 AEADHN Cc1noc(C)c1[C@H](C)NC1CC1 235522431 573194115 /nfs/dbraw/zinc/19/41/15/573194115.db2.gz AXWZVNXLXDVVEW-LURJTMIESA-N 0 3 180.251 2.104 20 0 AEADHN CC(C)CCNCc1cccc(F)n1 308539379 573281926 /nfs/dbraw/zinc/28/19/26/573281926.db2.gz UEOJBBKMINFLQE-UHFFFAOYSA-N 0 3 196.269 2.356 20 0 AEADHN CCN1CCc2c(C)cccc2C1 74447934 573341577 /nfs/dbraw/zinc/34/15/77/573341577.db2.gz VZOJXPRSVYUQJJ-UHFFFAOYSA-N 0 3 175.275 2.373 20 0 AEADHN CCCCCCN1CCO[C@H](C)C1 308361599 573353546 /nfs/dbraw/zinc/35/35/46/573353546.db2.gz MHPDBVGBXAWKKJ-LLVKDONJSA-N 0 3 185.311 2.287 20 0 AEADHN Cc1ccc(CN[C@H](C)CF)cc1 393585397 573411958 /nfs/dbraw/zinc/41/19/58/573411958.db2.gz RBOJXVHPVAQNBF-SNVBAGLBSA-N 0 3 181.254 2.443 20 0 AEADHN c1csc(CNCCC2CCC2)n1 130334106 571916716 /nfs/dbraw/zinc/91/67/16/571916716.db2.gz XJGFLPVZYIVNBS-UHFFFAOYSA-N 0 3 196.319 2.423 20 0 AEADHN C1=C[C@H](CNCc2ccco2)CC1 711761092 572111646 /nfs/dbraw/zinc/11/16/46/572111646.db2.gz SAIKPMPEDQIQAU-JTQLQIEISA-N 0 3 177.247 2.335 20 0 AEADHN CCC(CC)CNCc1cnccn1 130251491 573499231 /nfs/dbraw/zinc/49/92/31/573499231.db2.gz ABBMMXHCIVJNGJ-UHFFFAOYSA-N 0 3 193.294 2.002 20 0 AEADHN CN[C@H](C)c1ccnc(C(C)(C)C)n1 307690644 572754292 /nfs/dbraw/zinc/75/42/92/572754292.db2.gz NFYUTKMJRVTHBH-MRVPVSSYSA-N 0 3 193.294 2.055 20 0 AEADHN CN[C@@H](C)c1ccnc(C(C)(C)C)n1 307690646 572754347 /nfs/dbraw/zinc/75/43/47/572754347.db2.gz NFYUTKMJRVTHBH-QMMMGPOBSA-N 0 3 193.294 2.055 20 0 AEADHN c1ccc(CNCCC2CCC2)nc1 130334951 573545872 /nfs/dbraw/zinc/54/58/72/573545872.db2.gz LXDMZYJCIARTFC-UHFFFAOYSA-N 0 3 190.290 2.361 20 0 AEADHN CCc1cc(CN[C@H]2CC[C@H]2C)on1 308622892 573565269 /nfs/dbraw/zinc/56/52/69/573565269.db2.gz USOXHDGNPIIZIY-KCJUWKMLSA-N 0 3 194.278 2.125 20 0 AEADHN CC[C@H]1Oc2c(C)ccc(C)c2[C@H]1N 82765356 573183440 /nfs/dbraw/zinc/18/34/40/573183440.db2.gz WWKQOOAVPPTFPN-KOLCDFICSA-N 0 3 191.274 2.474 20 0 AEADHN C1=CO[C@@H](CNCc2ccco2)CC1 50267083 573337143 /nfs/dbraw/zinc/33/71/43/573337143.db2.gz LJCHYSIIGMKXNR-SNVBAGLBSA-N 0 3 193.246 2.062 20 0 AEADHN CCC1(CN[C@H](C)c2ncc[nH]2)CC1 308568201 573380977 /nfs/dbraw/zinc/38/09/77/573380977.db2.gz BHHYPUZIVNRIDY-SECBINFHSA-N 0 3 193.294 2.251 20 0 AEADHN CCC1(CN[C@@H](C)c2ncc[nH]2)CC1 308568206 573382335 /nfs/dbraw/zinc/38/23/35/573382335.db2.gz BHHYPUZIVNRIDY-VIFPVBQESA-N 0 3 193.294 2.251 20 0 AEADHN CCc1nc2c(s1)CCC[C@H]2N 83117059 573409608 /nfs/dbraw/zinc/40/96/08/573409608.db2.gz ARZSEIAVIDOTQD-ZCFIWIBFSA-N 0 3 182.292 2.042 20 0 AEADHN N[C@@H]1CCCc2sc(C3CC3)nc21 83117084 573409087 /nfs/dbraw/zinc/40/90/87/573409087.db2.gz PHWIKBJCFXYTFL-SSDOTTSWSA-N 0 3 194.303 2.357 20 0 AEADHN CCC[C@H](CC)NCc1cn(C)cn1 308587082 573445270 /nfs/dbraw/zinc/44/52/70/573445270.db2.gz SKXVBUNYESRDSD-JTQLQIEISA-N 0 3 195.310 2.088 20 0 AEADHN CCC(C)(C)CN[C@H](C)c1ncc[nH]1 308593208 573453815 /nfs/dbraw/zinc/45/38/15/573453815.db2.gz LDLJAVQGWUBDHC-SECBINFHSA-N 0 3 195.310 2.497 20 0 AEADHN CCCCCCNCc1cn(C)cn1 308591931 573460899 /nfs/dbraw/zinc/46/08/99/573460899.db2.gz VXNFGPWZKJKJRH-UHFFFAOYSA-N 0 3 195.310 2.090 20 0 AEADHN CC(C)n1nccc1CNC1(C)CC1 308584691 573472148 /nfs/dbraw/zinc/47/21/48/573472148.db2.gz RFFITZAXSABRSH-UHFFFAOYSA-N 0 3 193.294 2.106 20 0 AEADHN Cc1cc(Cl)cc([C@H](N)[C@@H](C)O)c1 238415479 573483852 /nfs/dbraw/zinc/48/38/52/573483852.db2.gz HUVJRGQEWYHDPF-GMSGAONNSA-N 0 3 199.681 2.029 20 0 AEADHN Cc1ccc(Cl)c([C@H](N)[C@@H](C)O)c1 238415663 573483861 /nfs/dbraw/zinc/48/38/61/573483861.db2.gz AUZGPVSYVKNCBJ-GMSGAONNSA-N 0 3 199.681 2.029 20 0 AEADHN CC[C@@H](C)CNCc1cccc(F)n1 308606549 573524118 /nfs/dbraw/zinc/52/41/18/573524118.db2.gz PSWPLNVEKJQBSA-SECBINFHSA-N 0 3 196.269 2.356 20 0 AEADHN Cc1ccc(Cl)c([C@@H](N)[C@@H](C)O)c1 238453017 573625417 /nfs/dbraw/zinc/62/54/17/573625417.db2.gz AUZGPVSYVKNCBJ-XCBNKYQSSA-N 0 3 199.681 2.029 20 0 AEADHN C[C@H](N[C@H]1CCC[C@H]1C)c1ncc[nH]1 124782879 573636631 /nfs/dbraw/zinc/63/66/31/573636631.db2.gz AIUIQRZGLSRALS-UTLUCORTSA-N 0 3 193.294 2.249 20 0 AEADHN C[C@H](NCCC1CCC1)c1ncc[nH]1 308651517 573637239 /nfs/dbraw/zinc/63/72/39/573637239.db2.gz KTUFZLZTAIMKRM-VIFPVBQESA-N 0 3 193.294 2.251 20 0 AEADHN C[C@H](CN[C@H](C)c1ncc[nH]1)C1CC1 308653747 573647622 /nfs/dbraw/zinc/64/76/22/573647622.db2.gz MQEBHUNCMKZOOC-RKDXNWHRSA-N 0 3 193.294 2.106 20 0 AEADHN C[C@@H](NC[C@@H]1CC1(C)C)c1ncc[nH]1 308670945 573685448 /nfs/dbraw/zinc/68/54/48/573685448.db2.gz VCEZUQZMKIJXDO-BDAKNGLRSA-N 0 3 193.294 2.106 20 0 AEADHN CCC[C@@H](C)NCc1cccc(F)n1 308689882 573706042 /nfs/dbraw/zinc/70/60/42/573706042.db2.gz HDGANHZVFKVAPW-SECBINFHSA-N 0 3 196.269 2.499 20 0 AEADHN CC(C)[C@@H]([NH3+])c1ccc([O-])c(F)c1 75854439 573713653 /nfs/dbraw/zinc/71/36/53/573713653.db2.gz MTHQSBMKGPIHCX-SNVBAGLBSA-N 0 3 183.226 2.187 20 0 AEADHN Cc1ccc(Cl)c([C@@H](N)[C@H](C)O)c1 238487597 573731066 /nfs/dbraw/zinc/73/10/66/573731066.db2.gz AUZGPVSYVKNCBJ-XVKPBYJWSA-N 0 3 199.681 2.029 20 0 AEADHN Cc1cc(CNC(C)(C)C2CC2)no1 308739890 573783063 /nfs/dbraw/zinc/78/30/63/573783063.db2.gz NVWRRJKMLVIVQA-UHFFFAOYSA-N 0 3 194.278 2.261 20 0 AEADHN NCc1csc2cccc(O)c12 257878025 573806082 /nfs/dbraw/zinc/80/60/82/573806082.db2.gz JGTWTVLFFCDANY-UHFFFAOYSA-N 0 3 179.244 2.066 20 0 AEADHN CC[C@@H](COC)N[C@H](C)c1ccc[nH]1 308743754 573812104 /nfs/dbraw/zinc/81/21/04/573812104.db2.gz QCZASZOIYYAEGB-ZJUUUORDSA-N 0 3 196.294 2.090 20 0 AEADHN C[C@H](N[C@H](C)C1CCC1)c1ncc[nH]1 308764448 573834994 /nfs/dbraw/zinc/83/49/94/573834994.db2.gz ZQCWHDVTPNNJAD-BDAKNGLRSA-N 0 3 193.294 2.249 20 0 AEADHN CC(C)c1ccccc1[C@@H](N)[C@H](C)O 238170379 573864870 /nfs/dbraw/zinc/86/48/70/573864870.db2.gz WGNUPOFVVAWING-CABZTGNLSA-N 0 3 193.290 2.191 20 0 AEADHN COCCCNCc1cc(C)oc1C 127567128 573920241 /nfs/dbraw/zinc/92/02/41/573920241.db2.gz FMBKJADVSJXILD-UHFFFAOYSA-N 0 3 197.278 2.023 20 0 AEADHN NCc1sccc1-c1ccncc1 87576239 573953431 /nfs/dbraw/zinc/95/34/31/573953431.db2.gz COIQVJUDPHKNEA-UHFFFAOYSA-N 0 3 190.271 2.269 20 0 AEADHN N[C@H]1COc2c(C(F)F)cccc21 104486391 574002714 /nfs/dbraw/zinc/00/27/14/574002714.db2.gz APZOCIWEKHOCLJ-ZETCQYMHSA-N 0 3 185.173 2.016 20 0 AEADHN Cc1ccc(Cl)cc1[C@H](N)[C@@H](C)O 104486338 574005010 /nfs/dbraw/zinc/00/50/10/574005010.db2.gz LQQQRHAUAACIFI-GMSGAONNSA-N 0 3 199.681 2.029 20 0 AEADHN N[C@H]1COc2cc(C(F)F)ccc21 104486374 574005042 /nfs/dbraw/zinc/00/50/42/574005042.db2.gz ZWHVAEQQJDBFBA-ZETCQYMHSA-N 0 3 185.173 2.016 20 0 AEADHN N[C@H]1COc2ccc(C(F)F)cc21 104486386 574005052 /nfs/dbraw/zinc/00/50/52/574005052.db2.gz FCSZGUSJPDHOAA-ZETCQYMHSA-N 0 3 185.173 2.016 20 0 AEADHN Cc1ccc(Cl)cc1[C@H](N)[C@H](C)O 104486351 574006783 /nfs/dbraw/zinc/00/67/83/574006783.db2.gz LQQQRHAUAACIFI-OIBJUYFYSA-N 0 3 199.681 2.029 20 0 AEADHN N[C@@H]1COc2c(C(F)F)cccc21 104489414 574009356 /nfs/dbraw/zinc/00/93/56/574009356.db2.gz APZOCIWEKHOCLJ-SSDOTTSWSA-N 0 3 185.173 2.016 20 0 AEADHN CC1(CNCc2ncccc2F)CC1 393654905 574011654 /nfs/dbraw/zinc/01/16/54/574011654.db2.gz FHEUPIRHTSUFSG-UHFFFAOYSA-N 0 3 194.253 2.110 20 0 AEADHN COc1cccc(Cl)c1[C@H](C)N 104499089 574012338 /nfs/dbraw/zinc/01/23/38/574012338.db2.gz ZAPYWTYXWPYFBH-LURJTMIESA-N 0 3 185.654 2.368 20 0 AEADHN Cc1ccc([C@H](N)CCO)c(Cl)c1 104495517 574013395 /nfs/dbraw/zinc/01/33/95/574013395.db2.gz HTYWTKJWMQUHEI-SNVBAGLBSA-N 0 3 199.681 2.031 20 0 AEADHN COc1cccc(Cl)c1[C@@H](C)N 104503277 574017672 /nfs/dbraw/zinc/01/76/72/574017672.db2.gz ZAPYWTYXWPYFBH-ZCFIWIBFSA-N 0 3 185.654 2.368 20 0 AEADHN CC(C)N(C)CCC(F)(F)F 1202283260 761819236 /nfs/dbraw/zinc/81/92/36/761819236.db2.gz OJWSYQAYJDILPG-UHFFFAOYSA-N 0 3 169.190 2.279 20 0 AEADHN Cc1cc(CN2CCCC[C@@H]2C)[nH]n1 1203067147 761833142 /nfs/dbraw/zinc/83/31/42/761833142.db2.gz MCLPQCLMXZPRMG-JTQLQIEISA-N 0 3 193.294 2.093 20 0 AEADHN Cc1cc(CN2CCCCCC2)[nH]n1 1203070395 761833189 /nfs/dbraw/zinc/83/31/89/761833189.db2.gz RQIFOYSMZAJNPD-UHFFFAOYSA-N 0 3 193.294 2.094 20 0 AEADHN CCCN(CCC)Cc1cc(C)n[nH]1 1203067652 761833558 /nfs/dbraw/zinc/83/35/58/761833558.db2.gz RWGAXNNGLJMDCJ-UHFFFAOYSA-N 0 3 195.310 2.340 20 0 AEADHN Cc1cc(CN2CCCC[C@H]2C)[nH]n1 1203067159 761833640 /nfs/dbraw/zinc/83/36/40/761833640.db2.gz MCLPQCLMXZPRMG-SNVBAGLBSA-N 0 3 193.294 2.093 20 0 AEADHN Cc1cc(CN(C)CC(C)(C)C)[nH]n1 1203076983 761834391 /nfs/dbraw/zinc/83/43/91/761834391.db2.gz MRDIJVSHIFYCIU-UHFFFAOYSA-N 0 3 195.310 2.196 20 0 AEADHN Cc1cc(CN(C)CC(C)(C)C)n[nH]1 1203076983 761834393 /nfs/dbraw/zinc/83/43/93/761834393.db2.gz MRDIJVSHIFYCIU-UHFFFAOYSA-N 0 3 195.310 2.196 20 0 AEADHN Cn1ccc(CN2CC3(CCC3)C2)c1 1206185588 762063507 /nfs/dbraw/zinc/06/35/07/762063507.db2.gz BQEAMTGOBBTRIV-UHFFFAOYSA-N 0 3 190.290 2.011 20 0 AEADHN CCN(C/C=C/Cl)C1CC1 307204379 673918162 /nfs/dbraw/zinc/91/81/62/673918162.db2.gz IBAGGDAZLJZUHW-ZZXKWVIFSA-N 0 3 159.660 2.223 20 0 AEADHN C[C@H]1CC[C@@H](C)[C@@H]1NCc1ccon1 307300113 673918566 /nfs/dbraw/zinc/91/85/66/673918566.db2.gz RZBBGJBCIGIKGP-JZYVYDRUSA-N 0 3 194.278 2.199 20 0 AEADHN CCn1cc(CN(C)C(C)C)c(C)n1 891451237 673931232 /nfs/dbraw/zinc/93/12/32/673931232.db2.gz PIAIKEZSHAEYOR-UHFFFAOYSA-N 0 3 195.310 2.052 20 0 AEADHN CCCN(C)Cc1cn(CC)nc1C 891578991 673932162 /nfs/dbraw/zinc/93/21/62/673932162.db2.gz SAYUXWSJDKEXIQ-UHFFFAOYSA-N 0 3 195.310 2.053 20 0 AEADHN CCCN(C)Cc1cnc(F)cc1C 891578190 673932500 /nfs/dbraw/zinc/93/25/00/673932500.db2.gz JNNKJBXQEWTFJM-UHFFFAOYSA-N 0 3 196.269 2.371 20 0 AEADHN CCCN(C)Cc1cnc(F)c(C)c1 891579454 673932714 /nfs/dbraw/zinc/93/27/14/673932714.db2.gz ZCJYKTKWDJAFLI-UHFFFAOYSA-N 0 3 196.269 2.371 20 0 AEADHN C[C@H](CNCc1nccs1)C1CC1 122229384 1169161200 /nfs/dbraw/zinc/16/12/00/1169161200.db2.gz MVMDUTXTZTXWOV-MRVPVSSYSA-N 0 3 196.319 2.279 20 0 AEADHN C[C@@H](CNCc1nccs1)C1CC1 122229211 1169161389 /nfs/dbraw/zinc/16/13/89/1169161389.db2.gz MVMDUTXTZTXWOV-QMMMGPOBSA-N 0 3 196.319 2.279 20 0 AEADHN CC1(NCc2ccccc2F)CC1 124447580 1169170641 /nfs/dbraw/zinc/17/06/41/1169170641.db2.gz KLNGRWKBBIZMED-UHFFFAOYSA-N 0 3 179.238 2.468 20 0 AEADHN CC(C)C[NH2+]Cc1ccc([O-])c(F)c1 83342746 673950639 /nfs/dbraw/zinc/95/06/39/673950639.db2.gz LCENLPNLSJYCPT-UHFFFAOYSA-N 0 3 197.253 2.277 20 0 AEADHN Cc1ccc(CNC2(C)CC2)o1 124437899 1169170779 /nfs/dbraw/zinc/17/07/79/1169170779.db2.gz ZFAJOSPOFCZZAL-UHFFFAOYSA-N 0 3 165.236 2.230 20 0 AEADHN CCC[C@H]([NH3+])c1ccc([O-])c(F)c1 95760087 673952199 /nfs/dbraw/zinc/95/21/99/673952199.db2.gz SCQLCOLNTBUMHT-VIFPVBQESA-N 0 3 183.226 2.331 20 0 AEADHN CCC[C@@H]([NH3+])c1ccc([O-])c(F)c1 95770937 673952376 /nfs/dbraw/zinc/95/23/76/673952376.db2.gz SCQLCOLNTBUMHT-SECBINFHSA-N 0 3 183.226 2.331 20 0 AEADHN CCCCCNCc1ocnc1C 894146851 673953640 /nfs/dbraw/zinc/95/36/40/673953640.db2.gz ZPRBQFUYXPKVKE-UHFFFAOYSA-N 0 3 182.267 2.263 20 0 AEADHN Cc1ccoc1CNC1(C)CC1 126899122 1169174850 /nfs/dbraw/zinc/17/48/50/1169174850.db2.gz WEDIKCMCFWBGHS-UHFFFAOYSA-N 0 3 165.236 2.230 20 0 AEADHN CCC(CC)NCc1ncccc1F 131247462 1169186591 /nfs/dbraw/zinc/18/65/91/1169186591.db2.gz PWVAVHSHYCLPRF-UHFFFAOYSA-N 0 3 196.269 2.499 20 0 AEADHN CCCCCCNCc1cnccn1 54765657 673965560 /nfs/dbraw/zinc/96/55/60/673965560.db2.gz ISFZYHKERKLWLF-UHFFFAOYSA-N 0 3 193.294 2.147 20 0 AEADHN CC(C)CCCN1CC(O)(C(C)C)C1 166043209 673966407 /nfs/dbraw/zinc/96/64/07/673966407.db2.gz CSAHKNFUNNTBPW-UHFFFAOYSA-N 0 3 199.338 2.125 20 0 AEADHN Cc1nc(CNC[C@H]2C[C@H]2C)cs1 136248322 1169193611 /nfs/dbraw/zinc/19/36/11/1169193611.db2.gz NWVQQUMMNVOFOB-VXNVDRBHSA-N 0 3 196.319 2.197 20 0 AEADHN Cc1nc(CNC[C@@H]2C[C@H]2C)cs1 136248286 1169194302 /nfs/dbraw/zinc/19/43/02/1169194302.db2.gz NWVQQUMMNVOFOB-APPZFPTMSA-N 0 3 196.319 2.197 20 0 AEADHN Cc1nc(CNC[C@@H]2C[C@@H]2C)cs1 136248195 1169195241 /nfs/dbraw/zinc/19/52/41/1169195241.db2.gz NWVQQUMMNVOFOB-CBAPKCEASA-N 0 3 196.319 2.197 20 0 AEADHN Cc1nc(CNC[C@H]2C[C@@H]2C)cs1 136248244 1169195462 /nfs/dbraw/zinc/19/54/62/1169195462.db2.gz NWVQQUMMNVOFOB-IONNQARKSA-N 0 3 196.319 2.197 20 0 AEADHN Cc1cc(CNC[C@@H]2CC2(C)C)no1 700679134 673978042 /nfs/dbraw/zinc/97/80/42/673978042.db2.gz ZOQYYUKVDKNYFO-VIFPVBQESA-N 0 3 194.278 2.119 20 0 AEADHN Cc1cc(CNC[C@H]2CC2(C)C)no1 700679130 673978156 /nfs/dbraw/zinc/97/81/56/673978156.db2.gz ZOQYYUKVDKNYFO-SECBINFHSA-N 0 3 194.278 2.119 20 0 AEADHN CSC1CC(NCc2ccco2)C1 706864866 673987633 /nfs/dbraw/zinc/98/76/33/673987633.db2.gz GPRPVJPGHHVBHA-UHFFFAOYSA-N 0 3 197.303 2.263 20 0 AEADHN CCCCCN[C@@H](C)c1cn(C)cn1 709951246 673994637 /nfs/dbraw/zinc/99/46/37/673994637.db2.gz WZVFZGKTZZPGFH-JTQLQIEISA-N 0 3 195.310 2.261 20 0 AEADHN CCCCCN[C@H](C)c1cn(C)cn1 709951247 673995329 /nfs/dbraw/zinc/99/53/29/673995329.db2.gz WZVFZGKTZZPGFH-SNVBAGLBSA-N 0 3 195.310 2.261 20 0 AEADHN C1=C[C@H](CNCc2nccs2)CC1 711765301 674003183 /nfs/dbraw/zinc/00/31/83/674003183.db2.gz DVMOBKBZEWERRI-VIFPVBQESA-N 0 3 194.303 2.199 20 0 AEADHN C1=C[C@@H](CNCc2nccs2)CC1 711765300 674003256 /nfs/dbraw/zinc/00/32/56/674003256.db2.gz DVMOBKBZEWERRI-SECBINFHSA-N 0 3 194.303 2.199 20 0 AEADHN C1=C[C@H](CNCc2cscn2)CC1 711765275 674003287 /nfs/dbraw/zinc/00/32/87/674003287.db2.gz DORBYDYQQFWBIL-VIFPVBQESA-N 0 3 194.303 2.199 20 0 AEADHN C1=C[C@@H](CNCc2cscn2)CC1 711765273 674003625 /nfs/dbraw/zinc/00/36/25/674003625.db2.gz DORBYDYQQFWBIL-SECBINFHSA-N 0 3 194.303 2.199 20 0 AEADHN Cc1cc(CNC[C@@H]2C=CCC2)no1 711779851 674004379 /nfs/dbraw/zinc/00/43/79/674004379.db2.gz XPAZXJSHIHHWBQ-SNVBAGLBSA-N 0 3 192.262 2.039 20 0 AEADHN Cc1cc(CNC[C@H]2C=CCC2)no1 711779850 674004414 /nfs/dbraw/zinc/00/44/14/674004414.db2.gz XPAZXJSHIHHWBQ-JTQLQIEISA-N 0 3 192.262 2.039 20 0 AEADHN C=C/C=C/CCNCc1nccs1 713476065 674013933 /nfs/dbraw/zinc/01/39/33/674013933.db2.gz XXJYTGNKBLSRGO-ONEGZZNKSA-N 0 3 194.303 2.365 20 0 AEADHN C=C/C=C\CCNCc1nccs1 713476064 674014129 /nfs/dbraw/zinc/01/41/29/674014129.db2.gz XXJYTGNKBLSRGO-ARJAWSKDSA-N 0 3 194.303 2.365 20 0 AEADHN CCc1nc(CNC[C@H](C)CC)co1 825062428 674031181 /nfs/dbraw/zinc/03/11/81/674031181.db2.gz VSSDFOQUZAEYFA-SECBINFHSA-N 0 3 196.294 2.373 20 0 AEADHN CCc1nc(CNC[C@@H](C)CC)co1 825062429 674031210 /nfs/dbraw/zinc/03/12/10/674031210.db2.gz VSSDFOQUZAEYFA-VIFPVBQESA-N 0 3 196.294 2.373 20 0 AEADHN Cc1cccnc1CN[C@H]1CC1(C)C 159875856 1169260548 /nfs/dbraw/zinc/26/05/48/1169260548.db2.gz NHPLIEDEWVCTDC-NSHDSACASA-N 0 3 190.290 2.278 20 0 AEADHN CCCCNCc1nc(C)cs1 37988507 674064714 /nfs/dbraw/zinc/06/47/14/674064714.db2.gz YFQPEALIJUIFKN-UHFFFAOYSA-N 0 3 184.308 2.341 20 0 AEADHN Cc1csc(CNCC(C)C)n1 37988449 674064750 /nfs/dbraw/zinc/06/47/50/674064750.db2.gz ATIYYHPJMLTLKP-UHFFFAOYSA-N 0 3 184.308 2.197 20 0 AEADHN Cc1cc(CNC[C@@H](C)C2CC2)no1 720397452 674068680 /nfs/dbraw/zinc/06/86/80/674068680.db2.gz WRRIMEPVBPOBQL-MRVPVSSYSA-N 0 3 194.278 2.119 20 0 AEADHN Cc1cc(CNC[C@H](C)C2CC2)no1 720397455 674068780 /nfs/dbraw/zinc/06/87/80/674068780.db2.gz WRRIMEPVBPOBQL-QMMMGPOBSA-N 0 3 194.278 2.119 20 0 AEADHN Cc1cc(CNCC2CC(C)C2)no1 720367923 674069054 /nfs/dbraw/zinc/06/90/54/674069054.db2.gz AWHPNWNNSWOYGH-UHFFFAOYSA-N 0 3 194.278 2.119 20 0 AEADHN c1nc(CN2CCCCCCC2)c[nH]1 724779007 674080605 /nfs/dbraw/zinc/08/06/05/674080605.db2.gz NOFMRNPNJUFJSW-UHFFFAOYSA-N 0 3 193.294 2.176 20 0 AEADHN CCCC1CCN(CCF)CC1 224307936 1169366593 /nfs/dbraw/zinc/36/65/93/1169366593.db2.gz IIJQGXOPXUXENK-UHFFFAOYSA-N 0 3 173.275 2.468 20 0 AEADHN CC1([NH2+]Cc2ccc([O-])c(F)c2)CC1 232423480 1169408058 /nfs/dbraw/zinc/40/80/58/1169408058.db2.gz GBTSFKMEPADESE-UHFFFAOYSA-N 0 3 195.237 2.173 20 0 AEADHN CC(C)CCNCc1ncccc1F 379616025 1169593126 /nfs/dbraw/zinc/59/31/26/1169593126.db2.gz ZBDJJIYODHQXQL-UHFFFAOYSA-N 0 3 196.269 2.356 20 0 AEADHN C(=C\C1CC1)\CNCc1cccnc1 382410447 1169602039 /nfs/dbraw/zinc/60/20/39/1169602039.db2.gz UHPSOBZCTAWWFR-IWQZZHSRSA-N 0 3 188.274 2.137 20 0 AEADHN C(=C/C1CC1)\CNCc1cccnc1 382410440 1169602074 /nfs/dbraw/zinc/60/20/74/1169602074.db2.gz UHPSOBZCTAWWFR-HNQUOIGGSA-N 0 3 188.274 2.137 20 0 AEADHN COCc1ccc(CNC2(C)CC2)o1 388755630 1169633095 /nfs/dbraw/zinc/63/30/95/1169633095.db2.gz RIQAWQSOUZYWFB-UHFFFAOYSA-N 0 3 195.262 2.068 20 0 AEADHN CCc1cc(CNCCC(C)C)on1 394280945 1169647331 /nfs/dbraw/zinc/64/73/31/1169647331.db2.gz FFUOLDOPYIOISK-UHFFFAOYSA-N 0 3 196.294 2.373 20 0 AEADHN CC/C=C\CNCc1ncccc1C 395055536 1169652006 /nfs/dbraw/zinc/65/20/06/1169652006.db2.gz NIPWPLSKQQAUHC-PLNGDYQASA-N 0 3 190.290 2.446 20 0 AEADHN CC/C=C/CNCc1ncccc1C 395055542 1169652266 /nfs/dbraw/zinc/65/22/66/1169652266.db2.gz NIPWPLSKQQAUHC-SNAWJCMRSA-N 0 3 190.290 2.446 20 0 AEADHN Cc1cc(CNC2(C)CC2)sn1 404434831 1169683401 /nfs/dbraw/zinc/68/34/01/1169683401.db2.gz BLAGYVFJCTYSCC-UHFFFAOYSA-N 0 3 182.292 2.094 20 0 AEADHN CCN(Cc1cc(C)n[nH]1)CC(C)C 1253989119 1169852769 /nfs/dbraw/zinc/85/27/69/1169852769.db2.gz BYRUTYMVTHVDPJ-UHFFFAOYSA-N 0 3 195.310 2.196 20 0 AEADHN c1cc(CN2CC3CCC2CC3)on1 1254088326 1169853756 /nfs/dbraw/zinc/85/37/56/1169853756.db2.gz XAUKIQOAPQEAGF-UHFFFAOYSA-N 0 3 192.262 2.049 20 0 AEADHN CCCc1csc(CNCC)n1 53294524 566256557 /nfs/dbraw/zinc/25/65/57/566256557.db2.gz XMXZLFHKENWQAE-UHFFFAOYSA-N 0 3 184.308 2.205 20 0 AEADHN COCCN(C)Cc1ccccc1C 143066658 566266396 /nfs/dbraw/zinc/26/63/96/566266396.db2.gz HTAQDRZKCMCDLE-UHFFFAOYSA-N 0 3 193.290 2.073 20 0 AEADHN COCCN(C)Cc1cccc(C)c1 197603256 566276644 /nfs/dbraw/zinc/27/66/44/566276644.db2.gz OIYCNXWOESOCQF-UHFFFAOYSA-N 0 3 193.290 2.073 20 0 AEADHN CCN(CC)Cc1ccc(C)cn1 199972030 566277372 /nfs/dbraw/zinc/27/73/72/566277372.db2.gz DUVBXPSEOJAEQK-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN CC[C@H](CNCc1ccccc1)OC 307182943 566296386 /nfs/dbraw/zinc/29/63/86/566296386.db2.gz WLJYUAWIUZILAN-GFCCVEGCSA-N 0 3 193.290 2.201 20 0 AEADHN CCCCN1CC(C)(C)OC[C@@H]1C 307181133 566296566 /nfs/dbraw/zinc/29/65/66/566296566.db2.gz MJAMXNAEHDWBGQ-JTQLQIEISA-N 0 3 185.311 2.286 20 0 AEADHN CC[C@@H](CNCc1ccccc1)OC 307182944 566296911 /nfs/dbraw/zinc/29/69/11/566296911.db2.gz WLJYUAWIUZILAN-LBPRGKRZSA-N 0 3 193.290 2.201 20 0 AEADHN CC[C@@H]1CCN(Cc2cc[nH]n2)[C@H]1C 1307701689 1170181840 /nfs/dbraw/zinc/18/18/40/1170181840.db2.gz FJCGVCBXGKRUKQ-VHSXEESVSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@@H]1CCN(Cc2cc[nH]n2)[C@@H]1C 1307701670 1170184149 /nfs/dbraw/zinc/18/41/49/1170184149.db2.gz FJCGVCBXGKRUKQ-NXEZZACHSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@@H]1CCN(Cc2ncc[nH]2)[C@@H]1C 1307703502 1170182772 /nfs/dbraw/zinc/18/27/72/1170182772.db2.gz VAYAKINLBJBZJJ-NXEZZACHSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@@H]1CCN(Cc2ncc[nH]2)[C@H]1C 1307703504 1170183354 /nfs/dbraw/zinc/18/33/54/1170183354.db2.gz VAYAKINLBJBZJJ-VHSXEESVSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@H]1CCN(Cc2ncc[nH]2)[C@H]1C 1307703503 1170183556 /nfs/dbraw/zinc/18/35/56/1170183556.db2.gz VAYAKINLBJBZJJ-UWVGGRQHSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@H]1CCN(Cc2ncc[nH]2)[C@@H]1C 1307703505 1170183829 /nfs/dbraw/zinc/18/38/29/1170183829.db2.gz VAYAKINLBJBZJJ-ZJUUUORDSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@H]1CCN(Cc2cc[nH]n2)[C@@H]1C 1307701691 1170183935 /nfs/dbraw/zinc/18/39/35/1170183935.db2.gz FJCGVCBXGKRUKQ-ZJUUUORDSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@H]1CCN(Cc2cc[nH]n2)[C@H]1C 1307701677 1170184505 /nfs/dbraw/zinc/18/45/05/1170184505.db2.gz FJCGVCBXGKRUKQ-UWVGGRQHSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@H](C)CN(C)Cc1cc(C)n[nH]1 1319702170 1170200661 /nfs/dbraw/zinc/20/06/61/1170200661.db2.gz ORUOYSDLNAZYKI-VIFPVBQESA-N 0 3 195.310 2.196 20 0 AEADHN Cc1cc(CN(C)CCC(C)C)n[nH]1 1319688419 1170202069 /nfs/dbraw/zinc/20/20/69/1170202069.db2.gz HNFNMPQWZINQQJ-UHFFFAOYSA-N 0 3 195.310 2.196 20 0 AEADHN CC[C@@H](C)CN(C)Cc1cc(C)n[nH]1 1319702169 1170202357 /nfs/dbraw/zinc/20/23/57/1170202357.db2.gz ORUOYSDLNAZYKI-SECBINFHSA-N 0 3 195.310 2.196 20 0 AEADHN C[C@H](NC1(C)CC1)c1ccc(F)cn1 1319857086 1170203897 /nfs/dbraw/zinc/20/38/97/1170203897.db2.gz PTIOOGBXKCRXHG-QMMMGPOBSA-N 0 3 194.253 2.424 20 0 AEADHN CCCN(Cc1cc(C)[nH]n1)C1CC1 1319825973 1170203986 /nfs/dbraw/zinc/20/39/86/1170203986.db2.gz HWKWAKJNQJTAAP-UHFFFAOYSA-N 0 3 193.294 2.093 20 0 AEADHN Cc1cc(CN(C)[C@H](C)C(C)C)[nH]n1 1319932788 1170204471 /nfs/dbraw/zinc/20/44/71/1170204471.db2.gz TUDFWUQZDAYDIH-SNVBAGLBSA-N 0 3 195.310 2.194 20 0 AEADHN C[C@H](NC1(C)CC1)c1ccccn1 1319864472 1170204835 /nfs/dbraw/zinc/20/48/35/1170204835.db2.gz RUCWLNMHPOLOEI-VIFPVBQESA-N 0 3 176.263 2.285 20 0 AEADHN C[C@H](NC1(C)CC1)c1cncs1 1320094878 1170204934 /nfs/dbraw/zinc/20/49/34/1170204934.db2.gz NDNCKMPVNKGMML-ZETCQYMHSA-N 0 3 182.292 2.346 20 0 AEADHN Cc1cc(CN(C)[C@@H](C)C(C)C)[nH]n1 1319932787 1170205089 /nfs/dbraw/zinc/20/50/89/1170205089.db2.gz TUDFWUQZDAYDIH-JTQLQIEISA-N 0 3 195.310 2.194 20 0 AEADHN C[C@@H](NC1(C)CC1)c1cncs1 1320094877 1170205098 /nfs/dbraw/zinc/20/50/98/1170205098.db2.gz NDNCKMPVNKGMML-SSDOTTSWSA-N 0 3 182.292 2.346 20 0 AEADHN C[C@@H](NC1(C)CC1)c1ccc(F)cn1 1319857080 1170205282 /nfs/dbraw/zinc/20/52/82/1170205282.db2.gz PTIOOGBXKCRXHG-MRVPVSSYSA-N 0 3 194.253 2.424 20 0 AEADHN C[C@@H](NC1(C)CC1)c1ccccn1 1319864471 1170206255 /nfs/dbraw/zinc/20/62/55/1170206255.db2.gz RUCWLNMHPOLOEI-SECBINFHSA-N 0 3 176.263 2.285 20 0 AEADHN C[C@H](NC1(C)CC1)c1ccco1 1320669942 1170207928 /nfs/dbraw/zinc/20/79/28/1170207928.db2.gz MYQXYJVZLOPYRQ-QMMMGPOBSA-N 0 3 165.236 2.483 20 0 AEADHN C[C@@H](NC1(C)CC1)c1ccco1 1320669941 1170209314 /nfs/dbraw/zinc/20/93/14/1170209314.db2.gz MYQXYJVZLOPYRQ-MRVPVSSYSA-N 0 3 165.236 2.483 20 0 AEADHN CCN(Cc1ccno1)C(C)(C)C 1325197351 1170229917 /nfs/dbraw/zinc/22/99/17/1170229917.db2.gz NOSRUKIWCJRQKX-UHFFFAOYSA-N 0 3 182.267 2.295 20 0 AEADHN CCCN(Cc1cc(C)n[nH]1)C(C)C 1326851087 1170244213 /nfs/dbraw/zinc/24/42/13/1170244213.db2.gz CXSCSIRYEAPNLO-UHFFFAOYSA-N 0 3 195.310 2.339 20 0 AEADHN CN(Cc1cccn1C1CC1)C1CC1 1330516350 1170278710 /nfs/dbraw/zinc/27/87/10/1170278710.db2.gz BTGDENJDBFQOOY-UHFFFAOYSA-N 0 3 190.290 2.417 20 0 AEADHN CC1(C)CN(Cc2cn[nH]c2)C1(C)C 1330544878 1170278865 /nfs/dbraw/zinc/27/88/65/1170278865.db2.gz LZKDQVZMBAXVDS-UHFFFAOYSA-N 0 3 193.294 2.030 20 0 AEADHN CCN(Cc1ccn(C)n1)C(C)(C)C 1330537673 1170280101 /nfs/dbraw/zinc/28/01/01/1170280101.db2.gz VJJLMHUUHCDXDX-UHFFFAOYSA-N 0 3 195.310 2.041 20 0 AEADHN Cc1cccnc1CN(C)CCCF 1331261461 1170289493 /nfs/dbraw/zinc/28/94/93/1170289493.db2.gz DWIXBWMBZZTDBU-UHFFFAOYSA-N 0 3 196.269 2.181 20 0 AEADHN Cc1cc(CN(C(C)C)C2CC2)n[nH]1 1337010320 1170386410 /nfs/dbraw/zinc/38/64/10/1170386410.db2.gz QTMVXZHRAPBKSR-UHFFFAOYSA-N 0 3 193.294 2.091 20 0 AEADHN CCC[C@H](C)N(C)Cc1cc(C)n[nH]1 1341538364 1170437356 /nfs/dbraw/zinc/43/73/56/1170437356.db2.gz NFDKQQUXABKENH-JTQLQIEISA-N 0 3 195.310 2.339 20 0 AEADHN CCC[C@@H](C)N(C)Cc1cc(C)n[nH]1 1341538429 1170437952 /nfs/dbraw/zinc/43/79/52/1170437952.db2.gz NFDKQQUXABKENH-SNVBAGLBSA-N 0 3 195.310 2.339 20 0 AEADHN CC[C@H](C)[C@H](C)N(C)Cc1c[nH]cn1 1473635436 1170595864 /nfs/dbraw/zinc/59/58/64/1170595864.db2.gz COFVFNAQTFEQMX-UWVGGRQHSA-N 0 3 195.310 2.276 20 0 AEADHN CC[C@H](C)[C@@H](C)N(C)Cc1c[nH]cn1 1473635437 1170595923 /nfs/dbraw/zinc/59/59/23/1170595923.db2.gz COFVFNAQTFEQMX-VHSXEESVSA-N 0 3 195.310 2.276 20 0 AEADHN CC[C@@H](C)[C@H](C)N(C)Cc1c[nH]cn1 1473635438 1170596808 /nfs/dbraw/zinc/59/68/08/1170596808.db2.gz COFVFNAQTFEQMX-ZJUUUORDSA-N 0 3 195.310 2.276 20 0 AEADHN CC[C@@H](C)[C@@H](C)N(C)Cc1c[nH]cn1 1473635424 1170596863 /nfs/dbraw/zinc/59/68/63/1170596863.db2.gz COFVFNAQTFEQMX-NXEZZACHSA-N 0 3 195.310 2.276 20 0 AEADHN CC(C)[C@@H]1C[C@H]1NCc1ccns1 1560625254 1170664803 /nfs/dbraw/zinc/66/48/03/1170664803.db2.gz LROXGBIGRIZYEP-VHSXEESVSA-N 0 3 196.319 2.277 20 0 AEADHN Clc1ccc(CNCC2CC2)nc1 70624945 571701816 /nfs/dbraw/zinc/70/18/16/571701816.db2.gz LPCUWOSNUPYWPO-UHFFFAOYSA-N 0 3 196.681 2.235 20 0 AEADHN CCCNCc1ccc(Cl)cn1 70624935 571702628 /nfs/dbraw/zinc/70/26/28/571702628.db2.gz JRZJMYBYHOYVLS-UHFFFAOYSA-N 0 3 184.670 2.235 20 0 AEADHN Cc1csc(CN[C@H](C)C2CC2)n1 38090616 571710292 /nfs/dbraw/zinc/71/02/92/571710292.db2.gz OVBRXNWEOWDNQV-MRVPVSSYSA-N 0 3 196.319 2.340 20 0 AEADHN CCN[C@H](c1ccccn1)C1CC1 70634959 571711494 /nfs/dbraw/zinc/71/14/94/571711494.db2.gz FILNOUKEPYDOOS-NSHDSACASA-N 0 3 176.263 2.142 20 0 AEADHN Cc1csc(CN[C@@H](C)C2CC2)n1 38090615 571713875 /nfs/dbraw/zinc/71/38/75/571713875.db2.gz OVBRXNWEOWDNQV-QMMMGPOBSA-N 0 3 196.319 2.340 20 0 AEADHN Cc1cccnc1CN[C@@H](C)C1CC1 70908021 571738632 /nfs/dbraw/zinc/73/86/32/571738632.db2.gz KOEZHROIJGCUBU-JTQLQIEISA-N 0 3 190.290 2.278 20 0 AEADHN C[C@@H]1CCNc2nc3c(n21)CCCC3 235335778 571774750 /nfs/dbraw/zinc/77/47/50/571774750.db2.gz CAIVLAKEALTOFB-MRVPVSSYSA-N 0 3 191.278 2.139 20 0 AEADHN C[C@H](NC1CCCC1)c1ncc[nH]1 124711393 571905628 /nfs/dbraw/zinc/90/56/28/571905628.db2.gz CEEPQWSQVLCNNF-QMMMGPOBSA-N 0 3 179.267 2.003 20 0 AEADHN C[C@H](NC1CCCCC1)c1ncc[nH]1 124687949 571906368 /nfs/dbraw/zinc/90/63/68/571906368.db2.gz KLCWRTMOKRFXTF-VIFPVBQESA-N 0 3 193.294 2.393 20 0 AEADHN CCN(CC)Cc1occc1C 393337724 571906647 /nfs/dbraw/zinc/90/66/47/571906647.db2.gz MDRDLJNRXQGPFN-UHFFFAOYSA-N 0 3 167.252 2.430 20 0 AEADHN CC(C)CN[C@@H](C)c1cscn1 22862250 571911596 /nfs/dbraw/zinc/91/15/96/571911596.db2.gz CDAJWOANXDLHDT-QMMMGPOBSA-N 0 3 184.308 2.450 20 0 AEADHN CCc1cc(CNC2CCCC2)on1 164376923 571926610 /nfs/dbraw/zinc/92/66/10/571926610.db2.gz MQNWLYUQSHYLMT-UHFFFAOYSA-N 0 3 194.278 2.269 20 0 AEADHN CC1(C)CNC[C@H](c2ccccc2)O1 11803095 571955562 /nfs/dbraw/zinc/95/55/62/571955562.db2.gz XMDDPYQDOKILDF-LLVKDONJSA-N 0 3 191.274 2.126 20 0 AEADHN CC1(C)CNC[C@@H](c2ccccc2)O1 11803092 571955892 /nfs/dbraw/zinc/95/58/92/571955892.db2.gz XMDDPYQDOKILDF-NSHDSACASA-N 0 3 191.274 2.126 20 0 AEADHN NCc1ccccc1Nc1ccccn1 82592359 572056488 /nfs/dbraw/zinc/05/64/88/572056488.db2.gz KITNIUISFVJXLK-UHFFFAOYSA-N 0 3 199.257 2.284 20 0 AEADHN CCCCC[C@H](C)NCc1cc[nH]n1 36900377 572073320 /nfs/dbraw/zinc/07/33/20/572073320.db2.gz JLSMNHATOBQSIL-JTQLQIEISA-N 0 3 195.310 2.468 20 0 AEADHN CCCCCCNCc1cc[nH]n1 36900202 572073776 /nfs/dbraw/zinc/07/37/76/572073776.db2.gz FAPBLCTTYJPULJ-UHFFFAOYSA-N 0 3 181.283 2.080 20 0 AEADHN CCCCC[C@@H](C)NCc1cc[nH]n1 36900376 572074044 /nfs/dbraw/zinc/07/40/44/572074044.db2.gz JLSMNHATOBQSIL-SNVBAGLBSA-N 0 3 195.310 2.468 20 0 AEADHN C[C@H]1CCNc2nc3c(n21)CCCC3 235618146 572076513 /nfs/dbraw/zinc/07/65/13/572076513.db2.gz CAIVLAKEALTOFB-QMMMGPOBSA-N 0 3 191.278 2.139 20 0 AEADHN CSC1(CNC/C=C/Cl)CC1 235123326 572087386 /nfs/dbraw/zinc/08/73/86/572087386.db2.gz ZIAGCXVUYXXURY-GORDUTHDSA-N 0 3 191.727 2.224 20 0 AEADHN CCC(=O)CCNCc1ccccc1 238196998 572092305 /nfs/dbraw/zinc/09/23/05/572092305.db2.gz OGYBRUQDQWTXBU-UHFFFAOYSA-N 0 3 191.274 2.145 20 0 AEADHN C[C@H]1CN(C)Cc2ccccc21 34588887 572097679 /nfs/dbraw/zinc/09/76/79/572097679.db2.gz XGXBWNUSKRIFMX-VIFPVBQESA-N 0 3 161.248 2.236 20 0 AEADHN C1=C[C@@H](CNCc2ccco2)CC1 711761093 572113133 /nfs/dbraw/zinc/11/31/33/572113133.db2.gz SAIKPMPEDQIQAU-SNVBAGLBSA-N 0 3 177.247 2.335 20 0 AEADHN CC[C@@H](C)N(C)Cc1cncs1 393348767 572188221 /nfs/dbraw/zinc/18/82/21/572188221.db2.gz LRWIVECFBMGHKI-MRVPVSSYSA-N 0 3 184.308 2.373 20 0 AEADHN CC[C@@H](C)[NH2+]Cc1ccc([O-])c(F)c1 83342738 572205273 /nfs/dbraw/zinc/20/52/73/572205273.db2.gz GRVGZOYOYRNFSB-MRVPVSSYSA-N 0 3 197.253 2.419 20 0 AEADHN CC(C)C[C@@H](C)CNCc1ccon1 300987325 572224329 /nfs/dbraw/zinc/22/43/29/572224329.db2.gz UZPBIULNCCCHDQ-SNVBAGLBSA-N 0 3 196.294 2.446 20 0 AEADHN CC(C)C[C@H](C)CNCc1ccon1 300987324 572225790 /nfs/dbraw/zinc/22/57/90/572225790.db2.gz UZPBIULNCCCHDQ-JTQLQIEISA-N 0 3 196.294 2.446 20 0 AEADHN Cc1cc(CNC2CC2)c(C)o1 36947967 572230179 /nfs/dbraw/zinc/23/01/79/572230179.db2.gz YMLFWONWUVTTBM-UHFFFAOYSA-N 0 3 165.236 2.148 20 0 AEADHN Cc1cc(CNC(C)C)c(C)o1 36947917 572232185 /nfs/dbraw/zinc/23/21/85/572232185.db2.gz XYWCOKXHKMXLSH-UHFFFAOYSA-N 0 3 167.252 2.394 20 0 AEADHN CCN(C/C=C/Cl)C[C@H](C)OC 307997485 572361265 /nfs/dbraw/zinc/36/12/65/572361265.db2.gz XHFFVZJHPWPHBZ-CYNONHLPSA-N 0 3 191.702 2.096 20 0 AEADHN CCN(C/C=C/Cl)C[C@@H](C)OC 307997488 572361052 /nfs/dbraw/zinc/36/10/52/572361052.db2.gz XHFFVZJHPWPHBZ-VUHVRTRXSA-N 0 3 191.702 2.096 20 0 AEADHN CCN(C/C=C\Cl)C[C@H](C)OC 307997487 572361398 /nfs/dbraw/zinc/36/13/98/572361398.db2.gz XHFFVZJHPWPHBZ-UDIARPCQSA-N 0 3 191.702 2.096 20 0 AEADHN CCN(C/C=C\Cl)C[C@@H](C)OC 307997486 572362864 /nfs/dbraw/zinc/36/28/64/572362864.db2.gz XHFFVZJHPWPHBZ-SSJHQANKSA-N 0 3 191.702 2.096 20 0 AEADHN C[C@@H]1CCCN(CCF)[C@@H]1C 306466370 572376535 /nfs/dbraw/zinc/37/65/35/572376535.db2.gz PLEKHUOTZVPMRZ-RKDXNWHRSA-N 0 3 159.248 2.076 20 0 AEADHN C[C@H]1CCCN(CCF)[C@H]1C 306466369 572378775 /nfs/dbraw/zinc/37/87/75/572378775.db2.gz PLEKHUOTZVPMRZ-IUCAKERBSA-N 0 3 159.248 2.076 20 0 AEADHN C[C@H]1CCCN(CCF)[C@@H]1C 306466368 572378958 /nfs/dbraw/zinc/37/89/58/572378958.db2.gz PLEKHUOTZVPMRZ-DTWKUNHWSA-N 0 3 159.248 2.076 20 0 AEADHN CCC(C)(C)[C@@H]1NCCc2nc[nH]c21 306591635 572415047 /nfs/dbraw/zinc/41/50/47/572415047.db2.gz YRLDNEIKYDDGSK-SNVBAGLBSA-N 0 3 193.294 2.033 20 0 AEADHN CCC(C)(C)[C@H]1NCCc2nc[nH]c21 306591633 572416130 /nfs/dbraw/zinc/41/61/30/572416130.db2.gz YRLDNEIKYDDGSK-JTQLQIEISA-N 0 3 193.294 2.033 20 0 AEADHN CCCC[C@H](NCC)c1ncc[nH]1 87341902 572419126 /nfs/dbraw/zinc/41/91/26/572419126.db2.gz PYVJSDKCNATROZ-VIFPVBQESA-N 0 3 181.283 2.251 20 0 AEADHN CCCC[C@@H](NCC)c1ncc[nH]1 87341903 572423017 /nfs/dbraw/zinc/42/30/17/572423017.db2.gz PYVJSDKCNATROZ-SECBINFHSA-N 0 3 181.283 2.251 20 0 AEADHN Cc1cccnc1CNCCC1CC1 83926557 572454404 /nfs/dbraw/zinc/45/44/04/572454404.db2.gz NMUXXHMIXDQSRA-UHFFFAOYSA-N 0 3 190.290 2.280 20 0 AEADHN Cc1csc(CNCCC2CC2)n1 83926403 572457040 /nfs/dbraw/zinc/45/70/40/572457040.db2.gz DBRPKYPOVBMNQI-UHFFFAOYSA-N 0 3 196.319 2.341 20 0 AEADHN CCN(C/C=C\Cl)C1CC1 307776828 572502382 /nfs/dbraw/zinc/50/23/82/572502382.db2.gz IBAGGDAZLJZUHW-UTCJRWHESA-N 0 3 159.660 2.223 20 0 AEADHN CCCCCNCc1cc(C)nn1C 84243628 572519550 /nfs/dbraw/zinc/51/95/50/572519550.db2.gz WRMIIWHBLCSOLD-UHFFFAOYSA-N 0 3 195.310 2.008 20 0 AEADHN CN(C)CCSC/C=C\Cl 307794055 572539481 /nfs/dbraw/zinc/53/94/81/572539481.db2.gz SRHXJBRDQSEONG-ARJAWSKDSA-N 0 3 179.716 2.034 20 0 AEADHN CCCCCCN1CC(O)(C(C)C)C1 84376644 572542159 /nfs/dbraw/zinc/54/21/59/572542159.db2.gz NFNIISRUICAPFC-UHFFFAOYSA-N 0 3 199.338 2.269 20 0 AEADHN CC(C)C1(O)CN(CCC(C)(C)C)C1 84376822 572542603 /nfs/dbraw/zinc/54/26/03/572542603.db2.gz CSDOACGLTRSSKU-UHFFFAOYSA-N 0 3 199.338 2.125 20 0 AEADHN CCN(Cc1cncs1)C(C)C 308067716 572589023 /nfs/dbraw/zinc/58/90/23/572589023.db2.gz ZLXYZJPEMONFQG-UHFFFAOYSA-N 0 3 184.308 2.373 20 0 AEADHN CCCCN(C)C/C=C\Cl 307837332 572594756 /nfs/dbraw/zinc/59/47/56/572594756.db2.gz RCRAVMVJUVWXMD-WAYWQWQTSA-N 0 3 161.676 2.471 20 0 AEADHN Cc1noc(C)c1[C@@H](C)NC1CC1 235178506 572602212 /nfs/dbraw/zinc/60/22/12/572602212.db2.gz AXWZVNXLXDVVEW-ZCFIWIBFSA-N 0 3 180.251 2.104 20 0 AEADHN FCCN(C1CCCC1)C1CC1 308082287 572642234 /nfs/dbraw/zinc/64/22/34/572642234.db2.gz KMQASBOHZOGEQK-UHFFFAOYSA-N 0 3 171.259 2.363 20 0 AEADHN C[C@H](C1CC1)N(C)C/C=C\Cl 307854970 572645542 /nfs/dbraw/zinc/64/55/42/572645542.db2.gz CAFIPHWOERADEM-WAXIIBMWSA-N 0 3 173.687 2.469 20 0 AEADHN C[C@@H](C1CC1)N(C)C/C=C\Cl 307854967 572646637 /nfs/dbraw/zinc/64/66/37/572646637.db2.gz CAFIPHWOERADEM-LBLVLHIFSA-N 0 3 173.687 2.469 20 0 AEADHN FC(F)(F)OCCCN1CCCC1 713448199 572657788 /nfs/dbraw/zinc/65/77/88/572657788.db2.gz UWBKTHDGGYHURE-UHFFFAOYSA-N 0 3 197.200 2.009 20 0 AEADHN CC(C)CC[C@@H](C)NCc1c[nH]cn1 54763500 572722107 /nfs/dbraw/zinc/72/21/07/572722107.db2.gz DWYKXUKCTNMPJI-SNVBAGLBSA-N 0 3 195.310 2.324 20 0 AEADHN CC[C@@H](CSC)N(C)CCF 307885490 572726854 /nfs/dbraw/zinc/72/68/54/572726854.db2.gz UYBKGZKSTMENKJ-QMMMGPOBSA-N 0 3 179.304 2.029 20 0 AEADHN CC[C@H](CSC)N(C)CCF 307885488 572728553 /nfs/dbraw/zinc/72/85/53/572728553.db2.gz UYBKGZKSTMENKJ-MRVPVSSYSA-N 0 3 179.304 2.029 20 0 AEADHN CCCC[C@H](C)N(C)CCF 307902535 572746728 /nfs/dbraw/zinc/74/67/28/572746728.db2.gz OSDSEDZJIRYCIU-VIFPVBQESA-N 0 3 161.264 2.466 20 0 AEADHN CCCC[C@@H](C)N(C)CCF 307902533 572747562 /nfs/dbraw/zinc/74/75/62/572747562.db2.gz OSDSEDZJIRYCIU-SECBINFHSA-N 0 3 161.264 2.466 20 0 AEADHN CSC1(CNC/C=C\Cl)CC1 307904771 572748725 /nfs/dbraw/zinc/74/87/25/572748725.db2.gz ZIAGCXVUYXXURY-DJWKRKHSSA-N 0 3 191.727 2.224 20 0 AEADHN CN(C/C=C\Cl)[C@H]1CCSC1 307931883 572774388 /nfs/dbraw/zinc/77/43/88/572774388.db2.gz VSLUJFKHRFXAAH-LTMVXPGCSA-N 0 3 191.727 2.176 20 0 AEADHN CN(C/C=C\Cl)[C@@H]1CCSC1 307931881 572776486 /nfs/dbraw/zinc/77/64/86/572776486.db2.gz VSLUJFKHRFXAAH-DLRBJTRDSA-N 0 3 191.727 2.176 20 0 AEADHN Nc1ccc2nc(CC3CC3)[nH]c2c1 49730646 572807921 /nfs/dbraw/zinc/80/79/21/572807921.db2.gz VOLPKBABIVSZTH-UHFFFAOYSA-N 0 3 187.246 2.098 20 0 AEADHN Cc1csc(CNC(C)(C)C)n1 49805929 572809356 /nfs/dbraw/zinc/80/93/56/572809356.db2.gz ZUIYCDHHOJYXSK-UHFFFAOYSA-N 0 3 184.308 2.340 20 0 AEADHN CC(C)(CF)NC[C@H]1CCC=CO1 308133730 572813095 /nfs/dbraw/zinc/81/30/95/572813095.db2.gz CUSZQGVCDNQOMU-SECBINFHSA-N 0 3 187.258 2.017 20 0 AEADHN CC(C)(CF)NC[C@@H]1CCC=CO1 308133731 572813416 /nfs/dbraw/zinc/81/34/16/572813416.db2.gz CUSZQGVCDNQOMU-VIFPVBQESA-N 0 3 187.258 2.017 20 0 AEADHN CCCCN(C)Cc1cnoc1C 393551598 572815266 /nfs/dbraw/zinc/81/52/66/572815266.db2.gz GVTHOVLRQVVJLW-UHFFFAOYSA-N 0 3 182.267 2.215 20 0 AEADHN C[C@@H](CSC(C)(C)C)NCCF 307949982 572825896 /nfs/dbraw/zinc/82/58/96/572825896.db2.gz NELJLSSFSFXSID-QMMMGPOBSA-N 0 3 193.331 2.466 20 0 AEADHN CN(CCF)CC1CCCCC1 308150871 572843184 /nfs/dbraw/zinc/84/31/84/572843184.db2.gz MQODFVLWUJASPF-UHFFFAOYSA-N 0 3 173.275 2.468 20 0 AEADHN CC(C)CCN1CC(C(F)F)C1 307970714 572874752 /nfs/dbraw/zinc/87/47/52/572874752.db2.gz XDGVAORAAIHXIN-UHFFFAOYSA-N 0 3 177.238 2.229 20 0 AEADHN CCSCC[C@@H](C)N(C)CCF 308158381 572877396 /nfs/dbraw/zinc/87/73/96/572877396.db2.gz PZUTWLOEFJNGOK-SECBINFHSA-N 0 3 193.331 2.419 20 0 AEADHN CCSCC[C@H](C)N(C)CCF 308158382 572879108 /nfs/dbraw/zinc/87/91/08/572879108.db2.gz PZUTWLOEFJNGOK-VIFPVBQESA-N 0 3 193.331 2.419 20 0 AEADHN CCCCOc1ccc2c(c1)CNC2 199237843 572891811 /nfs/dbraw/zinc/89/18/11/572891811.db2.gz QPUICYRVSZIWDV-UHFFFAOYSA-N 0 3 191.274 2.469 20 0 AEADHN Cl/C=C\CN1C[C@H]2CCC[C@H]2C1 308176948 572899812 /nfs/dbraw/zinc/89/98/12/572899812.db2.gz ZPLRJFAEFCJRMW-DHNCFQCXSA-N 0 3 185.698 2.471 20 0 AEADHN c1cc(-c2ccc3c(c2)CNC3)ccn1 238042893 572916461 /nfs/dbraw/zinc/91/64/61/572916461.db2.gz TUALJCHVBAAQLE-UHFFFAOYSA-N 0 3 196.253 2.352 20 0 AEADHN FCCCCN1CCC(F)(F)CC1 308194270 572924891 /nfs/dbraw/zinc/92/48/91/572924891.db2.gz QSYZACPVIFTQOP-UHFFFAOYSA-N 0 3 195.228 2.467 20 0 AEADHN CCC(CC)CN1CC(O)(C(C)C)C1 128358217 573004332 /nfs/dbraw/zinc/00/43/32/573004332.db2.gz FPSPBIGPSJUACM-UHFFFAOYSA-N 0 3 199.338 2.125 20 0 AEADHN CC(C)C[C@H](C)N1CC(O)(C(C)C)C1 308475867 573015059 /nfs/dbraw/zinc/01/50/59/573015059.db2.gz KYODCVTXXWVVJI-NSHDSACASA-N 0 3 199.338 2.124 20 0 AEADHN CCC[C@H](N)c1cc(F)ccc1N 104576967 573024302 /nfs/dbraw/zinc/02/43/02/573024302.db2.gz RHKDTMGYZGERJE-VIFPVBQESA-N 0 3 182.242 2.208 20 0 AEADHN CCC[C@@H](N)c1cc(F)ccc1N 104576970 573025748 /nfs/dbraw/zinc/02/57/48/573025748.db2.gz RHKDTMGYZGERJE-SECBINFHSA-N 0 3 182.242 2.208 20 0 AEADHN CCCCC[C@H](C)NCc1ncc[nH]1 49714865 573050810 /nfs/dbraw/zinc/05/08/10/573050810.db2.gz ZJYNNNOIAVQTNS-JTQLQIEISA-N 0 3 195.310 2.468 20 0 AEADHN FC(F)CCCNCc1ccco1 688729046 573147457 /nfs/dbraw/zinc/14/74/57/573147457.db2.gz RZNUOGDXQABBHM-UHFFFAOYSA-N 0 3 189.205 2.415 20 0 AEADHN CC(C)c1ccc2c(c1)OC[C@H]2N 104671212 573162060 /nfs/dbraw/zinc/16/20/60/573162060.db2.gz FMHUVGQYVILGCU-SNVBAGLBSA-N 0 3 177.247 2.202 20 0 AEADHN CC(C)c1ccc2c(c1)OC[C@@H]2N 104672932 573163669 /nfs/dbraw/zinc/16/36/69/573163669.db2.gz FMHUVGQYVILGCU-JTQLQIEISA-N 0 3 177.247 2.202 20 0 AEADHN CCC(C)(C)NCc1cc(C)on1 308299800 573166092 /nfs/dbraw/zinc/16/60/92/573166092.db2.gz LEBPDZNUVLANJM-UHFFFAOYSA-N 0 3 182.267 2.261 20 0 AEADHN CC[C@@H]1Oc2cc(C)cc(C)c2[C@H]1N 82759744 573174935 /nfs/dbraw/zinc/17/49/35/573174935.db2.gz FGXLFHKWKPLNMR-CABZTGNLSA-N 0 3 191.274 2.474 20 0 AEADHN CC[C@H]1Oc2c(F)ccc(F)c2[C@H]1N 82760165 573175555 /nfs/dbraw/zinc/17/55/55/573175555.db2.gz RLZZBXMGPKASMI-APPZFPTMSA-N 0 3 199.200 2.136 20 0 AEADHN CC[C@H]1Oc2c(F)cc(F)cc2[C@@H]1N 82759813 573176071 /nfs/dbraw/zinc/17/60/71/573176071.db2.gz OMNJVOCAPGAONI-BDAKNGLRSA-N 0 3 199.200 2.136 20 0 AEADHN CC[C@H]1Oc2cc(C)cc(C)c2[C@H]1N 82759743 573176200 /nfs/dbraw/zinc/17/62/00/573176200.db2.gz FGXLFHKWKPLNMR-SKDRFNHKSA-N 0 3 191.274 2.474 20 0 AEADHN CC[C@H]1Oc2c(F)cc(F)cc2[C@H]1N 82759811 573176341 /nfs/dbraw/zinc/17/63/41/573176341.db2.gz OMNJVOCAPGAONI-RKDXNWHRSA-N 0 3 199.200 2.136 20 0 AEADHN CC[C@H]1Oc2c(ccc(F)c2F)[C@@H]1N 82760143 573176456 /nfs/dbraw/zinc/17/64/56/573176456.db2.gz ZHRJSHPBIKGTLZ-APPZFPTMSA-N 0 3 199.200 2.136 20 0 AEADHN CC[C@H]1Oc2c(C)cccc2[C@@H]1N 82759665 573176670 /nfs/dbraw/zinc/17/66/70/573176670.db2.gz VLGSWIMBQUEZDE-ZJUUUORDSA-N 0 3 177.247 2.166 20 0 AEADHN CC[C@H]1Oc2c(C)cccc2[C@H]1N 82759663 573176728 /nfs/dbraw/zinc/17/67/28/573176728.db2.gz VLGSWIMBQUEZDE-NXEZZACHSA-N 0 3 177.247 2.166 20 0 AEADHN CC[C@@H]1Oc2cc(C)cc(C)c2[C@@H]1N 82759746 573176751 /nfs/dbraw/zinc/17/67/51/573176751.db2.gz FGXLFHKWKPLNMR-JOYOIKCWSA-N 0 3 191.274 2.474 20 0 AEADHN CC[C@@H]1Oc2c(C)cc(C)cc2[C@H]1N 82759962 573176771 /nfs/dbraw/zinc/17/67/71/573176771.db2.gz LYSZHLWYAZSQMR-WDEREUQCSA-N 0 3 191.274 2.474 20 0 AEADHN CC[C@@H]1Oc2c(C)ccc(C)c2[C@H]1N 82759814 573176814 /nfs/dbraw/zinc/17/68/14/573176814.db2.gz WWKQOOAVPPTFPN-ONGXEEELSA-N 0 3 191.274 2.474 20 0 AEADHN CC[C@@H]1Oc2cc(F)cc(F)c2[C@@H]1N 82760132 573176867 /nfs/dbraw/zinc/17/68/67/573176867.db2.gz XQJPLERWTVJVTI-OIBJUYFYSA-N 0 3 199.200 2.136 20 0 AEADHN CC[C@@H]1Oc2c(ccc(F)c2F)[C@@H]1N 82760144 573176931 /nfs/dbraw/zinc/17/69/31/573176931.db2.gz ZHRJSHPBIKGTLZ-CBAPKCEASA-N 0 3 199.200 2.136 20 0 AEADHN CC[C@H]1Oc2c(ccc(F)c2F)[C@H]1N 82760141 573176951 /nfs/dbraw/zinc/17/69/51/573176951.db2.gz ZHRJSHPBIKGTLZ-VXNVDRBHSA-N 0 3 199.200 2.136 20 0 AEADHN CC[C@H]1Oc2c(F)ccc(F)c2[C@@H]1N 82760167 573177034 /nfs/dbraw/zinc/17/70/34/573177034.db2.gz RLZZBXMGPKASMI-VXNVDRBHSA-N 0 3 199.200 2.136 20 0 AEADHN CC[C@@H]1Oc2cc(F)cc(F)c2[C@H]1N 82760130 573177485 /nfs/dbraw/zinc/17/74/85/573177485.db2.gz XQJPLERWTVJVTI-XVKPBYJWSA-N 0 3 199.200 2.136 20 0 AEADHN CC[C@@H]1Oc2c(C)cccc2[C@@H]1N 82759666 573177589 /nfs/dbraw/zinc/17/75/89/573177589.db2.gz VLGSWIMBQUEZDE-UWVGGRQHSA-N 0 3 177.247 2.166 20 0 AEADHN CC[C@@H]1Oc2c(C)cccc2[C@H]1N 82759664 573177817 /nfs/dbraw/zinc/17/78/17/573177817.db2.gz VLGSWIMBQUEZDE-VHSXEESVSA-N 0 3 177.247 2.166 20 0 AEADHN CC[C@H]1Oc2cc(F)cc(F)c2[C@H]1N 82760129 573177848 /nfs/dbraw/zinc/17/78/48/573177848.db2.gz XQJPLERWTVJVTI-XCBNKYQSSA-N 0 3 199.200 2.136 20 0 AEADHN CC[C@H]1Oc2cc(C)cc(C)c2[C@@H]1N 82759745 573177867 /nfs/dbraw/zinc/17/78/67/573177867.db2.gz FGXLFHKWKPLNMR-BXKDBHETSA-N 0 3 191.274 2.474 20 0 AEADHN CCc1ccc2c(c1)[C@H](N)[C@H](CC)O2 82759953 573178062 /nfs/dbraw/zinc/17/80/62/573178062.db2.gz RFWZJTXSBYXJPS-JQWIXIFHSA-N 0 3 191.274 2.420 20 0 AEADHN CC[C@H]1Oc2cc(F)cc(F)c2[C@@H]1N 82760131 573178179 /nfs/dbraw/zinc/17/81/79/573178179.db2.gz XQJPLERWTVJVTI-GMSGAONNSA-N 0 3 199.200 2.136 20 0 AEADHN CC[C@@H]1Oc2c(C)ccc(C)c2[C@@H]1N 82759816 573178288 /nfs/dbraw/zinc/17/82/88/573178288.db2.gz WWKQOOAVPPTFPN-GXSJLCMTSA-N 0 3 191.274 2.474 20 0 AEADHN CC[C@H]1Oc2c(C)ccc(C)c2[C@@H]1N 82759815 573178931 /nfs/dbraw/zinc/17/89/31/573178931.db2.gz WWKQOOAVPPTFPN-MWLCHTKSSA-N 0 3 191.274 2.474 20 0 AEADHN CC[C@@H]1Oc2c(F)ccc(F)c2[C@H]1N 82760166 573179876 /nfs/dbraw/zinc/17/98/76/573179876.db2.gz RLZZBXMGPKASMI-CBAPKCEASA-N 0 3 199.200 2.136 20 0 AEADHN CC[C@H]1Oc2c(C)cc(C)cc2[C@H]1N 82759961 573179184 /nfs/dbraw/zinc/17/91/84/573179184.db2.gz LYSZHLWYAZSQMR-GHMZBOCLSA-N 0 3 191.274 2.474 20 0 AEADHN CC[C@@H]1Oc2c(F)ccc(F)c2[C@@H]1N 82760168 573179312 /nfs/dbraw/zinc/17/93/12/573179312.db2.gz RLZZBXMGPKASMI-IONNQARKSA-N 0 3 199.200 2.136 20 0 AEADHN CC[C@H]1Oc2c(C)cc(C)cc2[C@@H]1N 82759963 573179355 /nfs/dbraw/zinc/17/93/55/573179355.db2.gz LYSZHLWYAZSQMR-MNOVXSKESA-N 0 3 191.274 2.474 20 0 AEADHN CC[C@@H]1Oc2c(C)cc(C)cc2[C@@H]1N 82759964 573179691 /nfs/dbraw/zinc/17/96/91/573179691.db2.gz LYSZHLWYAZSQMR-QWRGUYRKSA-N 0 3 191.274 2.474 20 0 AEADHN CC[C@@H]1Oc2c(ccc(F)c2F)[C@H]1N 82760142 573179936 /nfs/dbraw/zinc/17/99/36/573179936.db2.gz ZHRJSHPBIKGTLZ-IONNQARKSA-N 0 3 199.200 2.136 20 0 AEADHN CCc1ccc2c(c1)[C@H](N)[C@@H](CC)O2 82765368 573180926 /nfs/dbraw/zinc/18/09/26/573180926.db2.gz RFWZJTXSBYXJPS-PWSUYJOCSA-N 0 3 191.274 2.420 20 0 AEADHN CCc1ccc2c(c1)[C@@H](N)[C@H](CC)O2 82765367 573185688 /nfs/dbraw/zinc/18/56/88/573185688.db2.gz RFWZJTXSBYXJPS-CMPLNLGQSA-N 0 3 191.274 2.420 20 0 AEADHN CC[C@@H]1Oc2c(F)cc(F)cc2[C@@H]1N 82765221 573184949 /nfs/dbraw/zinc/18/49/49/573184949.db2.gz OMNJVOCAPGAONI-IUCAKERBSA-N 0 3 199.200 2.136 20 0 AEADHN CC(C)c1ccc2[nH]c(N)nc2c1 86016374 573231689 /nfs/dbraw/zinc/23/16/89/573231689.db2.gz TUVWHGCFBVRNQS-UHFFFAOYSA-N 0 3 175.235 2.269 20 0 AEADHN CC(C)c1ccc2nc(N)[nH]c2c1 86016374 573231695 /nfs/dbraw/zinc/23/16/95/573231695.db2.gz TUVWHGCFBVRNQS-UHFFFAOYSA-N 0 3 175.235 2.269 20 0 AEADHN C1=CO[C@H](CNCc2ccco2)CC1 50267082 573339606 /nfs/dbraw/zinc/33/96/06/573339606.db2.gz LJCHYSIIGMKXNR-JTQLQIEISA-N 0 3 193.246 2.062 20 0 AEADHN CCCCCCN1CCO[C@@H](C)C1 308361600 573355210 /nfs/dbraw/zinc/35/52/10/573355210.db2.gz MHPDBVGBXAWKKJ-NSHDSACASA-N 0 3 185.311 2.287 20 0 AEADHN CCCC[C@@H](C)NCc1cn(C)cn1 308561088 573358136 /nfs/dbraw/zinc/35/81/36/573358136.db2.gz FIQPSVHHILMWLD-SNVBAGLBSA-N 0 3 195.310 2.088 20 0 AEADHN CCc1ncc(CNC2(C)CC2)s1 129828598 573393500 /nfs/dbraw/zinc/39/35/00/573393500.db2.gz DYQHOHUMOOHMOI-UHFFFAOYSA-N 0 3 196.319 2.348 20 0 AEADHN N[C@H]1CCCc2sc(C3CC3)nc21 83117085 573408489 /nfs/dbraw/zinc/40/84/89/573408489.db2.gz PHWIKBJCFXYTFL-ZETCQYMHSA-N 0 3 194.303 2.357 20 0 AEADHN FC1(F)CNCC12CCCCC2 257812401 573431773 /nfs/dbraw/zinc/43/17/73/573431773.db2.gz BPHWACFMDKEIFV-UHFFFAOYSA-N 0 3 175.222 2.175 20 0 AEADHN CCC[C@@H](CC)NCc1cn(C)cn1 308587084 573443886 /nfs/dbraw/zinc/44/38/86/573443886.db2.gz SKXVBUNYESRDSD-SNVBAGLBSA-N 0 3 195.310 2.088 20 0 AEADHN CC(C)C[C@H](N)c1cscn1 83271553 573447891 /nfs/dbraw/zinc/44/78/91/573447891.db2.gz FYDPOQMNBPHNGS-ZETCQYMHSA-N 0 3 170.281 2.189 20 0 AEADHN CC(C)C[C@@H](N)c1cscn1 83271554 573448525 /nfs/dbraw/zinc/44/85/25/573448525.db2.gz FYDPOQMNBPHNGS-SSDOTTSWSA-N 0 3 170.281 2.189 20 0 AEADHN CCC(C)(C)CN[C@@H](C)c1ncc[nH]1 308593209 573456252 /nfs/dbraw/zinc/45/62/52/573456252.db2.gz LDLJAVQGWUBDHC-VIFPVBQESA-N 0 3 195.310 2.497 20 0 AEADHN CC1(NCc2cccc(O)c2)CC1 124458218 573477074 /nfs/dbraw/zinc/47/70/74/573477074.db2.gz KGDNFRCVWLKORY-UHFFFAOYSA-N 0 3 177.247 2.034 20 0 AEADHN c1nc(CNCCC2CCC2)cs1 130335403 573548691 /nfs/dbraw/zinc/54/86/91/573548691.db2.gz BZGBECHNAKAOQX-UHFFFAOYSA-N 0 3 196.319 2.423 20 0 AEADHN CCc1cc(CN[C@@H]2CC[C@@H]2C)on1 308622891 573562652 /nfs/dbraw/zinc/56/26/52/573562652.db2.gz USOXHDGNPIIZIY-GZMMTYOYSA-N 0 3 194.278 2.125 20 0 AEADHN CCc1cc(CN[C@H]2CC[C@@H]2C)on1 308622893 573563852 /nfs/dbraw/zinc/56/38/52/573563852.db2.gz USOXHDGNPIIZIY-KWQFWETISA-N 0 3 194.278 2.125 20 0 AEADHN CCc1cc(CN[C@@H]2CC[C@H]2C)on1 308622894 573563969 /nfs/dbraw/zinc/56/39/69/573563969.db2.gz USOXHDGNPIIZIY-LDYMZIIASA-N 0 3 194.278 2.125 20 0 AEADHN Fc1cc([C@@H]2CCN2)cc(F)c1F 78677094 573575653 /nfs/dbraw/zinc/57/56/53/573575653.db2.gz RQIOVVXSOUWYCY-QMMMGPOBSA-N 0 3 187.164 2.138 20 0 AEADHN Fc1cc([C@H]2CCN2)cc(F)c1F 78677103 573579747 /nfs/dbraw/zinc/57/97/47/573579747.db2.gz RQIOVVXSOUWYCY-MRVPVSSYSA-N 0 3 187.164 2.138 20 0 AEADHN Cc1cc(Cl)cc([C@@H](N)[C@@H](C)O)c1 238452902 573623790 /nfs/dbraw/zinc/62/37/90/573623790.db2.gz HUVJRGQEWYHDPF-XCBNKYQSSA-N 0 3 199.681 2.029 20 0 AEADHN Cc1cc(Cl)cc([C@H](N)[C@H](C)O)c1 238461480 573639375 /nfs/dbraw/zinc/63/93/75/573639375.db2.gz HUVJRGQEWYHDPF-OIBJUYFYSA-N 0 3 199.681 2.029 20 0 AEADHN Cc1ccc(Cl)c([C@H](N)[C@H](C)O)c1 238461599 573641045 /nfs/dbraw/zinc/64/10/45/573641045.db2.gz AUZGPVSYVKNCBJ-OIBJUYFYSA-N 0 3 199.681 2.029 20 0 AEADHN C[C@@H](NCCC1CCC1)c1ncc[nH]1 308651516 573641264 /nfs/dbraw/zinc/64/12/64/573641264.db2.gz KTUFZLZTAIMKRM-SECBINFHSA-N 0 3 193.294 2.251 20 0 AEADHN C[C@H](NC[C@H](C)C1CC1)c1ncc[nH]1 308653746 573646643 /nfs/dbraw/zinc/64/66/43/573646643.db2.gz MQEBHUNCMKZOOC-IUCAKERBSA-N 0 3 193.294 2.106 20 0 AEADHN C[C@H](CCC1CC1)NCc1c[nH]cn1 308665969 573661121 /nfs/dbraw/zinc/66/11/21/573661121.db2.gz SMAFSRNNRNKMCZ-SECBINFHSA-N 0 3 193.294 2.078 20 0 AEADHN C[C@@H](CCC1CC1)NCc1c[nH]cn1 308665970 573661606 /nfs/dbraw/zinc/66/16/06/573661606.db2.gz SMAFSRNNRNKMCZ-VIFPVBQESA-N 0 3 193.294 2.078 20 0 AEADHN C[C@H](NC[C@H]1CC1(C)C)c1ncc[nH]1 308670950 573683026 /nfs/dbraw/zinc/68/30/26/573683026.db2.gz VCEZUQZMKIJXDO-DTWKUNHWSA-N 0 3 193.294 2.106 20 0 AEADHN C[C@H](NC[C@@H]1CC1(C)C)c1ncc[nH]1 308670956 573684021 /nfs/dbraw/zinc/68/40/21/573684021.db2.gz VCEZUQZMKIJXDO-IUCAKERBSA-N 0 3 193.294 2.106 20 0 AEADHN C[C@@H](NC[C@H]1CC1(C)C)c1ncc[nH]1 308670959 573684836 /nfs/dbraw/zinc/68/48/36/573684836.db2.gz VCEZUQZMKIJXDO-RKDXNWHRSA-N 0 3 193.294 2.106 20 0 AEADHN C[C@@H](NC1(C2CC2)CC1)c1ncc[nH]1 308686346 573699767 /nfs/dbraw/zinc/69/97/67/573699767.db2.gz ZPZJQRIDQBBXNT-MRVPVSSYSA-N 0 3 191.278 2.003 20 0 AEADHN C[C@H](NC1(C2CC2)CC1)c1ncc[nH]1 308686347 573700936 /nfs/dbraw/zinc/70/09/36/573700936.db2.gz ZPZJQRIDQBBXNT-QMMMGPOBSA-N 0 3 191.278 2.003 20 0 AEADHN CCC[C@H](C)NCc1cccc(F)n1 308689883 573708699 /nfs/dbraw/zinc/70/86/99/573708699.db2.gz HDGANHZVFKVAPW-VIFPVBQESA-N 0 3 196.269 2.499 20 0 AEADHN CC(C)[C@H]([NH3+])c1ccc([O-])c(F)c1 75854438 573716409 /nfs/dbraw/zinc/71/64/09/573716409.db2.gz MTHQSBMKGPIHCX-JTQLQIEISA-N 0 3 183.226 2.187 20 0 AEADHN Cc1cc(Cl)cc([C@@H](N)[C@H](C)O)c1 238487476 573728714 /nfs/dbraw/zinc/72/87/14/573728714.db2.gz HUVJRGQEWYHDPF-XVKPBYJWSA-N 0 3 199.681 2.029 20 0 AEADHN C[C@H](N[C@@H]1CC=CCC1)c1ncc[nH]1 306172562 573744148 /nfs/dbraw/zinc/74/41/48/573744148.db2.gz BFRNPRCQCWXSGQ-VHSXEESVSA-N 0 3 191.278 2.169 20 0 AEADHN CCCCCCNCc1cc(C)n[nH]1 308736925 573784565 /nfs/dbraw/zinc/78/45/65/573784565.db2.gz LXWOLCPDLLLJDK-UHFFFAOYSA-N 0 3 195.310 2.388 20 0 AEADHN Cc1oncc1CNC1(C2CC2)CC1 308740542 573784866 /nfs/dbraw/zinc/78/48/66/573784866.db2.gz OLTPYPXCYOXWIO-UHFFFAOYSA-N 0 3 192.262 2.015 20 0 AEADHN CC[C@@H](COC)N[C@@H](C)c1ccc[nH]1 308743752 573813715 /nfs/dbraw/zinc/81/37/15/573813715.db2.gz QCZASZOIYYAEGB-UWVGGRQHSA-N 0 3 196.294 2.090 20 0 AEADHN CC[C@H](COC)N[C@H](C)c1ccc[nH]1 308743750 573815012 /nfs/dbraw/zinc/81/50/12/573815012.db2.gz QCZASZOIYYAEGB-NXEZZACHSA-N 0 3 196.294 2.090 20 0 AEADHN CC[C@H](COC)N[C@@H](C)c1ccc[nH]1 308743753 573815170 /nfs/dbraw/zinc/81/51/70/573815170.db2.gz QCZASZOIYYAEGB-VHSXEESVSA-N 0 3 196.294 2.090 20 0 AEADHN CC[C@H](C)[C@@H](C)N[C@H](C)c1ncc[nH]1 252978112 573833246 /nfs/dbraw/zinc/83/32/46/573833246.db2.gz AJWZERKGRWDWIM-IVZWLZJFSA-N 0 3 195.310 2.495 20 0 AEADHN C[C@H](N[C@@H](C)C1CCC1)c1ncc[nH]1 308764457 573836375 /nfs/dbraw/zinc/83/63/75/573836375.db2.gz ZQCWHDVTPNNJAD-IUCAKERBSA-N 0 3 193.294 2.249 20 0 AEADHN C[C@@H](N[C@H](C)C1CCC1)c1ncc[nH]1 308764461 573837269 /nfs/dbraw/zinc/83/72/69/573837269.db2.gz ZQCWHDVTPNNJAD-RKDXNWHRSA-N 0 3 193.294 2.249 20 0 AEADHN CC(C)c1ccccc1[C@H](N)[C@H](C)O 238171065 573862488 /nfs/dbraw/zinc/86/24/88/573862488.db2.gz WGNUPOFVVAWING-JOYOIKCWSA-N 0 3 193.290 2.191 20 0 AEADHN CC(C)c1ccccc1[C@H](N)[C@@H](C)O 238171032 573864028 /nfs/dbraw/zinc/86/40/28/573864028.db2.gz WGNUPOFVVAWING-BXKDBHETSA-N 0 3 193.290 2.191 20 0 AEADHN Cc1cc(CNCC2CCCC2)no1 44724518 573918058 /nfs/dbraw/zinc/91/80/58/573918058.db2.gz PMJCRSZBLFYMBM-UHFFFAOYSA-N 0 3 194.278 2.263 20 0 AEADHN CSCCNCc1cc(C)oc1C 127572572 573921237 /nfs/dbraw/zinc/92/12/37/573921237.db2.gz ZDXNXVDPKPALQQ-UHFFFAOYSA-N 0 3 199.319 2.349 20 0 AEADHN CCCC[C@H](N)c1cscn1 87589634 573969089 /nfs/dbraw/zinc/96/90/89/573969089.db2.gz CLCVEASSIUKDNN-ZETCQYMHSA-N 0 3 170.281 2.333 20 0 AEADHN CCCC[C@@H](N)c1cscn1 87589635 573968419 /nfs/dbraw/zinc/96/84/19/573968419.db2.gz CLCVEASSIUKDNN-SSDOTTSWSA-N 0 3 170.281 2.333 20 0 AEADHN CO[C@@H](CN)c1cc(C)sc1C 85099669 573982152 /nfs/dbraw/zinc/98/21/52/573982152.db2.gz QNARGVOOMKXFSA-VIFPVBQESA-N 0 3 185.292 2.011 20 0 AEADHN CO[C@H](CN)c1cc(C)sc1C 85099667 573982234 /nfs/dbraw/zinc/98/22/34/573982234.db2.gz QNARGVOOMKXFSA-SECBINFHSA-N 0 3 185.292 2.011 20 0 AEADHN NC1(c2cccc(F)c2Cl)CC1 104458235 573988513 /nfs/dbraw/zinc/98/85/13/573988513.db2.gz QHCSKWYFGAQHBB-UHFFFAOYSA-N 0 3 185.629 2.427 20 0 AEADHN Cc1ccc(Cl)cc1[C@@H](N)[C@H](C)O 104486358 574003261 /nfs/dbraw/zinc/00/32/61/574003261.db2.gz LQQQRHAUAACIFI-XVKPBYJWSA-N 0 3 199.681 2.029 20 0 AEADHN Cc1ccc(Cl)cc1[C@@H](N)[C@@H](C)O 104486343 574006511 /nfs/dbraw/zinc/00/65/11/574006511.db2.gz LQQQRHAUAACIFI-XCBNKYQSSA-N 0 3 199.681 2.029 20 0 AEADHN N[C@@H]1COc2cc(C(F)F)ccc21 104489400 574010139 /nfs/dbraw/zinc/01/01/39/574010139.db2.gz ZWHVAEQQJDBFBA-SSDOTTSWSA-N 0 3 185.173 2.016 20 0 AEADHN CC(C)[C@H](N)c1c(F)cncc1F 104494252 574010219 /nfs/dbraw/zinc/01/02/19/574010219.db2.gz XTMWBWXFOLSNPJ-VIFPVBQESA-N 0 3 186.205 2.016 20 0 AEADHN CC(C)[C@@H](N)c1c(F)cncc1F 104494259 574010652 /nfs/dbraw/zinc/01/06/52/574010652.db2.gz XTMWBWXFOLSNPJ-SECBINFHSA-N 0 3 186.205 2.016 20 0 AEADHN Cc1ccc([C@@H](N)CCO)c(Cl)c1 104495519 574015161 /nfs/dbraw/zinc/01/51/61/574015161.db2.gz HTYWTKJWMQUHEI-JTQLQIEISA-N 0 3 199.681 2.031 20 0 AEADHN Cc1cc2c(cc1Cl)OCC[C@@H]2N 104502891 574015994 /nfs/dbraw/zinc/01/59/94/574015994.db2.gz GOYLEHRXHKRYNO-VIFPVBQESA-N 0 3 197.665 2.431 20 0 AEADHN Cc1cc2c(cc1Cl)OCC[C@H]2N 104502896 574017077 /nfs/dbraw/zinc/01/70/77/574017077.db2.gz GOYLEHRXHKRYNO-SECBINFHSA-N 0 3 197.665 2.431 20 0 AEADHN Cc1oncc1CN1C2CCC1CC2 585383591 574021191 /nfs/dbraw/zinc/02/11/91/574021191.db2.gz MAAOZKDKJSMUOM-UHFFFAOYSA-N 0 3 192.262 2.110 20 0 AEADHN Cc1nc(CNC2CCCC2)[nH]c1C 37482525 486720212 /nfs/dbraw/zinc/72/02/12/486720212.db2.gz SZCAPPIQPNULKD-UHFFFAOYSA-N 0 3 193.294 2.059 20 0 AEADHN CC(C)CN(C)Cc1ccco1 41392491 486724094 /nfs/dbraw/zinc/72/40/94/486724094.db2.gz CWBOBFYGTHCUHJ-UHFFFAOYSA-N 0 3 167.252 2.367 20 0 AEADHN CCC1CCC(N(C)CC(C)=O)CC1 42516444 486726457 /nfs/dbraw/zinc/72/64/57/486726457.db2.gz LSYWAHXRGKRALX-UHFFFAOYSA-N 0 3 197.322 2.476 20 0 AEADHN CC1=CCN(CCOCC(C)C)CC1 669691557 486731301 /nfs/dbraw/zinc/73/13/01/486731301.db2.gz LQBGDUULGALYAK-UHFFFAOYSA-N 0 3 197.322 2.311 20 0 AEADHN CC1=CCCN(CCOCC(C)C)C1 669693873 486732935 /nfs/dbraw/zinc/73/29/35/486732935.db2.gz KIAVMUIFRSHVJX-UHFFFAOYSA-N 0 3 197.322 2.311 20 0 AEADHN COCCNCc1cc(C)sc1C 49684794 486734338 /nfs/dbraw/zinc/73/43/38/486734338.db2.gz JBKOXLFVHNMKHC-UHFFFAOYSA-N 0 3 199.319 2.101 20 0 AEADHN C[C@H](O)CN(C)[C@@H](C)c1cccs1 49728093 486734353 /nfs/dbraw/zinc/73/43/53/486734353.db2.gz FMORTZIVSAPGAM-IUCAKERBSA-N 0 3 199.319 2.122 20 0 AEADHN C[C@@H](c1cccs1)N(C)C[C@@H](C)O 49728095 486734367 /nfs/dbraw/zinc/73/43/67/486734367.db2.gz FMORTZIVSAPGAM-BDAKNGLRSA-N 0 3 199.319 2.122 20 0 AEADHN CC[C@H](CO)N[C@H](C)c1ccsc1 50339525 486737698 /nfs/dbraw/zinc/73/76/98/486737698.db2.gz XARUFENLZLSIKJ-PSASIEDQSA-N 0 3 199.319 2.170 20 0 AEADHN CC[C@@H](CO)N[C@H](C)c1ccsc1 50339522 486737746 /nfs/dbraw/zinc/73/77/46/486737746.db2.gz XARUFENLZLSIKJ-SCZZXKLOSA-N 0 3 199.319 2.170 20 0 AEADHN CC[C@H](CO)N[C@@H](C)c1ccsc1 50339519 486737798 /nfs/dbraw/zinc/73/77/98/486737798.db2.gz XARUFENLZLSIKJ-WCBMZHEXSA-N 0 3 199.319 2.170 20 0 AEADHN CC[C@@H](CO)N[C@@H](C)c1ccsc1 50339517 486737841 /nfs/dbraw/zinc/73/78/41/486737841.db2.gz XARUFENLZLSIKJ-WPRPVWTQSA-N 0 3 199.319 2.170 20 0 AEADHN C[C@@H]1COCCN1C[C@H](C)C(C)(C)C 670270272 486738227 /nfs/dbraw/zinc/73/82/27/486738227.db2.gz MWGKUJSGVICKAZ-WDEREUQCSA-N 0 3 199.338 2.389 20 0 AEADHN C[C@H](CN1CCOC[C@H]1C)C(C)(C)C 670270271 486738530 /nfs/dbraw/zinc/73/85/30/486738530.db2.gz MWGKUJSGVICKAZ-GHMZBOCLSA-N 0 3 199.338 2.389 20 0 AEADHN CCCC[C@H](C)NCc1nccn1C 50888772 486739201 /nfs/dbraw/zinc/73/92/01/486739201.db2.gz VBQPILUDMIVPLA-JTQLQIEISA-N 0 3 195.310 2.088 20 0 AEADHN CCCC[C@@H](C)NCc1nccn1C 50888771 486739408 /nfs/dbraw/zinc/73/94/08/486739408.db2.gz VBQPILUDMIVPLA-SNVBAGLBSA-N 0 3 195.310 2.088 20 0 AEADHN CCC(CC)CN1CCOCC12CC2 670273183 486739722 /nfs/dbraw/zinc/73/97/22/486739722.db2.gz SKPBPLIRVUDWKW-UHFFFAOYSA-N 0 3 197.322 2.287 20 0 AEADHN C[C@H](NCCCCCO)c1ccco1 51020815 486739985 /nfs/dbraw/zinc/73/99/85/486739985.db2.gz IZQNUKRZKMORKO-JTQLQIEISA-N 0 3 197.278 2.093 20 0 AEADHN C[C@@H](NCCCCCO)c1ccco1 51020817 486740407 /nfs/dbraw/zinc/74/04/07/486740407.db2.gz IZQNUKRZKMORKO-SNVBAGLBSA-N 0 3 197.278 2.093 20 0 AEADHN C[C@H]1CN(CC2(C)CCC2)[C@H](C)CO1 670989602 486741653 /nfs/dbraw/zinc/74/16/53/486741653.db2.gz ONHNUQLWIWKXPN-MNOVXSKESA-N 0 3 197.322 2.286 20 0 AEADHN CCCN(Cc1cc[nH]n1)CC1CC1 670989272 486742077 /nfs/dbraw/zinc/74/20/77/486742077.db2.gz AMWGCQLQFGRQNB-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN C[C@H]1CO[C@H](C)CN1CC1(C)CCC1 670989604 486742106 /nfs/dbraw/zinc/74/21/06/486742106.db2.gz ONHNUQLWIWKXPN-WDEREUQCSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@@H]1CN(CC2(C)CCC2)[C@H](C)CO1 670989601 486742151 /nfs/dbraw/zinc/74/21/51/486742151.db2.gz ONHNUQLWIWKXPN-GHMZBOCLSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1CN(CC2(C)CCC2)[C@@H](C)CO1 670989603 486742191 /nfs/dbraw/zinc/74/21/91/486742191.db2.gz ONHNUQLWIWKXPN-QWRGUYRKSA-N 0 3 197.322 2.286 20 0 AEADHN CCn1cc([C@@H](C)NC2CCC2)cn1 52208946 486742461 /nfs/dbraw/zinc/74/24/61/486742461.db2.gz LSUTYQFLSBXVQD-SECBINFHSA-N 0 3 193.294 2.106 20 0 AEADHN CCn1cc([C@H](C)NC2CCC2)cn1 52208948 486743131 /nfs/dbraw/zinc/74/31/31/486743131.db2.gz LSUTYQFLSBXVQD-VIFPVBQESA-N 0 3 193.294 2.106 20 0 AEADHN COCc1ccc(CNC(C)(C)C)o1 52602281 486746347 /nfs/dbraw/zinc/74/63/47/486746347.db2.gz OZVUILVDWGVNMM-UHFFFAOYSA-N 0 3 197.278 2.314 20 0 AEADHN COCc1ccc(CNCC(C)C)o1 52602283 486746534 /nfs/dbraw/zinc/74/65/34/486746534.db2.gz RPDZOODZHZIQOU-UHFFFAOYSA-N 0 3 197.278 2.172 20 0 AEADHN CC(C)C(CN1CCOCC1)C(C)C 671304405 486747828 /nfs/dbraw/zinc/74/78/28/486747828.db2.gz ZZCZQYTXTLKDIL-UHFFFAOYSA-N 0 3 199.338 2.247 20 0 AEADHN CCCNCc1nc2c(s1)CCC2 53294657 486748637 /nfs/dbraw/zinc/74/86/37/486748637.db2.gz QJUFTADVGNWOBD-UHFFFAOYSA-N 0 3 196.319 2.131 20 0 AEADHN CN(CCCCF)Cc1cccnc1 671685286 486752812 /nfs/dbraw/zinc/75/28/12/486752812.db2.gz OTJXGMUYHNAXLY-UHFFFAOYSA-N 0 3 196.269 2.263 20 0 AEADHN CCCNCc1ncc(CC)s1 54159045 486755390 /nfs/dbraw/zinc/75/53/90/486755390.db2.gz VBUUPUDZAHXBKP-UHFFFAOYSA-N 0 3 184.308 2.205 20 0 AEADHN CCCN[C@@H](C)c1cncs1 54159942 486755631 /nfs/dbraw/zinc/75/56/31/486755631.db2.gz QVHXHNXVDGCHEX-ZETCQYMHSA-N 0 3 170.281 2.204 20 0 AEADHN CCc1cnc(CNC(C)C)s1 54159047 486755953 /nfs/dbraw/zinc/75/59/53/486755953.db2.gz IZUQCKUMTVEPEP-UHFFFAOYSA-N 0 3 184.308 2.204 20 0 AEADHN CCCN[C@@H](CCOC)c1ccco1 54456457 486756808 /nfs/dbraw/zinc/75/68/08/486756808.db2.gz IZLFLGNHGCIXQH-JTQLQIEISA-N 0 3 197.278 2.357 20 0 AEADHN CCCN[C@H](CCOC)c1ccco1 54456459 486758116 /nfs/dbraw/zinc/75/81/16/486758116.db2.gz IZLFLGNHGCIXQH-SNVBAGLBSA-N 0 3 197.278 2.357 20 0 AEADHN CCC[C@H](C)NCc1cncs1 54769843 486760232 /nfs/dbraw/zinc/76/02/32/486760232.db2.gz ZJHVOQSYZGJMQS-QMMMGPOBSA-N 0 3 184.308 2.421 20 0 AEADHN CCC[C@@H](C)NCc1cncs1 54769840 486760615 /nfs/dbraw/zinc/76/06/15/486760615.db2.gz ZJHVOQSYZGJMQS-MRVPVSSYSA-N 0 3 184.308 2.421 20 0 AEADHN Oc1ccc(CN2CC=CCC2)cc1 59406278 486761195 /nfs/dbraw/zinc/76/11/95/486761195.db2.gz JLMCXUCDYHMCKE-UHFFFAOYSA-N 0 3 189.258 2.154 20 0 AEADHN CCc1cnc(CNCC(C)C)s1 61800301 486762919 /nfs/dbraw/zinc/76/29/19/486762919.db2.gz WKKRICVGXHJRQR-UHFFFAOYSA-N 0 3 198.335 2.451 20 0 AEADHN CC1=CCN(CCOC2CCC2)CC1 672551876 486770052 /nfs/dbraw/zinc/77/00/52/486770052.db2.gz VWGWIKANMUWHLM-UHFFFAOYSA-N 0 3 195.306 2.208 20 0 AEADHN CC1=CCCN(CCOC2CCC2)C1 672556044 486770083 /nfs/dbraw/zinc/77/00/83/486770083.db2.gz PFLPOIBMTSWBJJ-UHFFFAOYSA-N 0 3 195.306 2.208 20 0 AEADHN CCOC1CC(N(C)CC=C(C)C)C1 672573858 486770114 /nfs/dbraw/zinc/77/01/14/486770114.db2.gz LOKJRTFOYKJPGM-UHFFFAOYSA-N 0 3 197.322 2.452 20 0 AEADHN CCCC[C@@H](CC)NCc1cc[nH]n1 68986969 486772560 /nfs/dbraw/zinc/77/25/60/486772560.db2.gz NUQRJIWIFQEGRM-SNVBAGLBSA-N 0 3 195.310 2.468 20 0 AEADHN CCCC[C@H](CC)NCc1cc[nH]n1 68986971 486772689 /nfs/dbraw/zinc/77/26/89/486772689.db2.gz NUQRJIWIFQEGRM-JTQLQIEISA-N 0 3 195.310 2.468 20 0 AEADHN CCCN[C@@H](C)c1ccoc1 69630857 486773681 /nfs/dbraw/zinc/77/36/81/486773681.db2.gz VZDWYPYPWQXNTJ-QMMMGPOBSA-N 0 3 153.225 2.340 20 0 AEADHN CCCN[C@H](C)c1ccoc1 69630860 486773742 /nfs/dbraw/zinc/77/37/42/486773742.db2.gz VZDWYPYPWQXNTJ-MRVPVSSYSA-N 0 3 153.225 2.340 20 0 AEADHN C[C@H](CC1CC1)NCc1nccs1 69664134 486774575 /nfs/dbraw/zinc/77/45/75/486774575.db2.gz ZGUXVSSFOLHORA-MRVPVSSYSA-N 0 3 196.319 2.421 20 0 AEADHN C[C@@H](CC1CC1)NCc1nccs1 69664131 486774631 /nfs/dbraw/zinc/77/46/31/486774631.db2.gz ZGUXVSSFOLHORA-QMMMGPOBSA-N 0 3 196.319 2.421 20 0 AEADHN COCCN1CC[C@H]1c1ccccc1 673711940 486776248 /nfs/dbraw/zinc/77/62/48/486776248.db2.gz KFAOMZKCZCOPKE-LBPRGKRZSA-N 0 3 191.274 2.080 20 0 AEADHN COCCN1CC[C@@H]1c1ccccc1 673711939 486776424 /nfs/dbraw/zinc/77/64/24/486776424.db2.gz KFAOMZKCZCOPKE-GFCCVEGCSA-N 0 3 191.274 2.080 20 0 AEADHN c1coc(CNC[C@H]2CCCS2)c1 69981932 486778691 /nfs/dbraw/zinc/77/86/91/486778691.db2.gz SGHXBLVNLJVMES-SNVBAGLBSA-N 0 3 197.303 2.265 20 0 AEADHN c1coc(CNC[C@@H]2CCCS2)c1 69981929 486778805 /nfs/dbraw/zinc/77/88/05/486778805.db2.gz SGHXBLVNLJVMES-JTQLQIEISA-N 0 3 197.303 2.265 20 0 AEADHN c1coc(CNC[C@@H]2CCSC2)c1 69981922 486778863 /nfs/dbraw/zinc/77/88/63/486778863.db2.gz LBHUFSQXCRQVEB-VIFPVBQESA-N 0 3 197.303 2.122 20 0 AEADHN c1coc(CNC[C@H]2CCSC2)c1 69981925 486779560 /nfs/dbraw/zinc/77/95/60/486779560.db2.gz LBHUFSQXCRQVEB-SECBINFHSA-N 0 3 197.303 2.122 20 0 AEADHN CCCCCN[C@H](C)c1nccn1C 70007241 486779796 /nfs/dbraw/zinc/77/97/96/486779796.db2.gz QORCGHKOPOHCNN-SNVBAGLBSA-N 0 3 195.310 2.261 20 0 AEADHN CCC(CC)N[C@H](C)c1nccn1C 70007220 486779810 /nfs/dbraw/zinc/77/98/10/486779810.db2.gz VCEHFENVHGONAN-SECBINFHSA-N 0 3 195.310 2.259 20 0 AEADHN CCC[C@@H](C)N[C@H](C)c1nccn1C 70007247 486779928 /nfs/dbraw/zinc/77/99/28/486779928.db2.gz AHYPPROEIJDLDP-NXEZZACHSA-N 0 3 195.310 2.259 20 0 AEADHN CC(C)CCN[C@H](C)c1nccn1C 70007273 486779941 /nfs/dbraw/zinc/77/99/41/486779941.db2.gz KRSLHLIDHMRUSO-SNVBAGLBSA-N 0 3 195.310 2.117 20 0 AEADHN CCC[C@H](C)N[C@@H](C)c1nccn1C 70007245 486780185 /nfs/dbraw/zinc/78/01/85/486780185.db2.gz AHYPPROEIJDLDP-UWVGGRQHSA-N 0 3 195.310 2.259 20 0 AEADHN CC(C)[C@@H](C)N[C@H](C)c1nccn1C 70007521 486780198 /nfs/dbraw/zinc/78/01/98/486780198.db2.gz RLSJTUBKFONCDN-NXEZZACHSA-N 0 3 195.310 2.115 20 0 AEADHN C[C@H](NCC(C)(C)C)c1nccn1C 70007927 486780243 /nfs/dbraw/zinc/78/02/43/486780243.db2.gz HZYWIVCKNGEQGL-VIFPVBQESA-N 0 3 195.310 2.117 20 0 AEADHN CC(C)CCN[C@@H](C)c1nccn1C 70007270 486780255 /nfs/dbraw/zinc/78/02/55/486780255.db2.gz KRSLHLIDHMRUSO-JTQLQIEISA-N 0 3 195.310 2.117 20 0 AEADHN C[C@@H](NCC(C)(C)C)c1nccn1C 70007930 486780359 /nfs/dbraw/zinc/78/03/59/486780359.db2.gz HZYWIVCKNGEQGL-SECBINFHSA-N 0 3 195.310 2.117 20 0 AEADHN CCC[C@H](C)N[C@H](C)c1nccn1C 70007250 486780372 /nfs/dbraw/zinc/78/03/72/486780372.db2.gz AHYPPROEIJDLDP-VHSXEESVSA-N 0 3 195.310 2.259 20 0 AEADHN CC(C)[C@@H](C)N[C@@H](C)c1nccn1C 70007517 486780396 /nfs/dbraw/zinc/78/03/96/486780396.db2.gz RLSJTUBKFONCDN-ZJUUUORDSA-N 0 3 195.310 2.115 20 0 AEADHN CC(C)[C@H](C)N[C@@H](C)c1nccn1C 70007519 486780465 /nfs/dbraw/zinc/78/04/65/486780465.db2.gz RLSJTUBKFONCDN-UWVGGRQHSA-N 0 3 195.310 2.115 20 0 AEADHN CCCCCN[C@@H](C)c1nccn1C 70007239 486780479 /nfs/dbraw/zinc/78/04/79/486780479.db2.gz QORCGHKOPOHCNN-JTQLQIEISA-N 0 3 195.310 2.261 20 0 AEADHN CCC[C@@H](C)N[C@@H](C)c1nccn1C 70007242 486780576 /nfs/dbraw/zinc/78/05/76/486780576.db2.gz AHYPPROEIJDLDP-ZJUUUORDSA-N 0 3 195.310 2.259 20 0 AEADHN CC(C)[C@H](C)N[C@H](C)c1nccn1C 70007523 486780627 /nfs/dbraw/zinc/78/06/27/486780627.db2.gz RLSJTUBKFONCDN-VHSXEESVSA-N 0 3 195.310 2.115 20 0 AEADHN CCC(CC)N[C@@H](C)c1nccn1C 70007218 486780654 /nfs/dbraw/zinc/78/06/54/486780654.db2.gz VCEHFENVHGONAN-VIFPVBQESA-N 0 3 195.310 2.259 20 0 AEADHN CCC(CC)N[C@@H](C)c1cnccn1 70024392 486781044 /nfs/dbraw/zinc/78/10/44/486781044.db2.gz DXTUHVXUHKAQSG-VIFPVBQESA-N 0 3 193.294 2.316 20 0 AEADHN CC(C)CCN[C@H](C)c1cnccn1 70024459 486781146 /nfs/dbraw/zinc/78/11/46/486781146.db2.gz IMAQMAMREMLDOH-SNVBAGLBSA-N 0 3 193.294 2.173 20 0 AEADHN CCCCCN[C@@H](C)c1cnccn1 70024413 486781381 /nfs/dbraw/zinc/78/13/81/486781381.db2.gz WMKHSPIAEVLNJY-JTQLQIEISA-N 0 3 193.294 2.317 20 0 AEADHN CCC(CC)N[C@H](C)c1cnccn1 70024394 486781486 /nfs/dbraw/zinc/78/14/86/486781486.db2.gz DXTUHVXUHKAQSG-SECBINFHSA-N 0 3 193.294 2.316 20 0 AEADHN CCCCCN[C@H](C)c1cnccn1 70024415 486781531 /nfs/dbraw/zinc/78/15/31/486781531.db2.gz WMKHSPIAEVLNJY-SNVBAGLBSA-N 0 3 193.294 2.317 20 0 AEADHN C[C@H](NCC(C)(C)C)c1cnccn1 70025450 486781608 /nfs/dbraw/zinc/78/16/08/486781608.db2.gz NEFMPAQSBULQPJ-VIFPVBQESA-N 0 3 193.294 2.173 20 0 AEADHN CCC[C@@H](C)N[C@@H](C)c1cnccn1 70024417 486781657 /nfs/dbraw/zinc/78/16/57/486781657.db2.gz XKMZGDWIOHEWNC-ZJUUUORDSA-N 0 3 193.294 2.316 20 0 AEADHN CCC[C@H](C)N[C@H](C)c1cnccn1 70024421 486781726 /nfs/dbraw/zinc/78/17/26/486781726.db2.gz XKMZGDWIOHEWNC-VHSXEESVSA-N 0 3 193.294 2.316 20 0 AEADHN CCC[C@H](C)N[C@@H](C)c1cnccn1 70024418 486781738 /nfs/dbraw/zinc/78/17/38/486781738.db2.gz XKMZGDWIOHEWNC-UWVGGRQHSA-N 0 3 193.294 2.316 20 0 AEADHN CC(C)CCN[C@@H](C)c1cnccn1 70024455 486781808 /nfs/dbraw/zinc/78/18/08/486781808.db2.gz IMAQMAMREMLDOH-JTQLQIEISA-N 0 3 193.294 2.173 20 0 AEADHN CCC[C@@H](C)N[C@H](C)c1cnccn1 70024420 486781838 /nfs/dbraw/zinc/78/18/38/486781838.db2.gz XKMZGDWIOHEWNC-NXEZZACHSA-N 0 3 193.294 2.316 20 0 AEADHN C[C@@H](NCC(C)(C)C)c1cnccn1 70025452 486781882 /nfs/dbraw/zinc/78/18/82/486781882.db2.gz NEFMPAQSBULQPJ-SECBINFHSA-N 0 3 193.294 2.173 20 0 AEADHN CCCN(CCC)Cc1cncn1C 673927093 486782660 /nfs/dbraw/zinc/78/26/60/486782660.db2.gz MCTCSRBJVOYPKY-UHFFFAOYSA-N 0 3 195.310 2.042 20 0 AEADHN CCCCN(CC)Cc1cncn1C 673926895 486782702 /nfs/dbraw/zinc/78/27/02/486782702.db2.gz ATVXVHXLMPKNAP-UHFFFAOYSA-N 0 3 195.310 2.042 20 0 AEADHN C[C@H](c1ccccn1)N(C)CC1CC1 674248795 486789423 /nfs/dbraw/zinc/78/94/23/486789423.db2.gz ATVVUEADGMOAGO-SNVBAGLBSA-N 0 3 190.290 2.484 20 0 AEADHN CC[C@H](COC)N[C@@H](C)c1ccco1 70623854 486789425 /nfs/dbraw/zinc/78/94/25/486789425.db2.gz MAPWNPDHRPPXTO-VHSXEESVSA-N 0 3 197.278 2.355 20 0 AEADHN CC[C@H](COC)N[C@H](C)c1ccco1 70623856 486789476 /nfs/dbraw/zinc/78/94/76/486789476.db2.gz MAPWNPDHRPPXTO-NXEZZACHSA-N 0 3 197.278 2.355 20 0 AEADHN CCCN(C)[C@@H](C)c1ccccn1 674249826 486789507 /nfs/dbraw/zinc/78/95/07/486789507.db2.gz KTSQALZNAVFQDS-JTQLQIEISA-N 0 3 178.279 2.484 20 0 AEADHN CC[C@@H](COC)N[C@H](C)c1ccco1 70623855 486789596 /nfs/dbraw/zinc/78/95/96/486789596.db2.gz MAPWNPDHRPPXTO-ZJUUUORDSA-N 0 3 197.278 2.355 20 0 AEADHN CCCN(C)[C@H](C)c1ccccn1 674249827 486789643 /nfs/dbraw/zinc/78/96/43/486789643.db2.gz KTSQALZNAVFQDS-SNVBAGLBSA-N 0 3 178.279 2.484 20 0 AEADHN CC[C@@H](COC)N[C@@H](C)c1ccco1 70623853 486789706 /nfs/dbraw/zinc/78/97/06/486789706.db2.gz MAPWNPDHRPPXTO-UWVGGRQHSA-N 0 3 197.278 2.355 20 0 AEADHN C[C@@H](c1ccccn1)N(C)CC1CC1 674248794 486790193 /nfs/dbraw/zinc/79/01/93/486790193.db2.gz ATVVUEADGMOAGO-JTQLQIEISA-N 0 3 190.290 2.484 20 0 AEADHN CC(C)CNCc1ccc(Cl)cn1 70624939 486790404 /nfs/dbraw/zinc/79/04/04/486790404.db2.gz MBJWETBURAHAIA-UHFFFAOYSA-N 0 3 198.697 2.481 20 0 AEADHN CCc1cnc(CNCC2CC2)s1 70627148 486790415 /nfs/dbraw/zinc/79/04/15/486790415.db2.gz ZIXUQRXWOSGTPO-UHFFFAOYSA-N 0 3 196.319 2.205 20 0 AEADHN Cc1nn(C(C)C)cc1CNC1CC1 70631411 486790715 /nfs/dbraw/zinc/79/07/15/486790715.db2.gz ARMRGXKOHRFJTC-UHFFFAOYSA-N 0 3 193.294 2.024 20 0 AEADHN Cc1nn(C(C)C)cc1CNC(C)C 70631394 486790884 /nfs/dbraw/zinc/79/08/84/486790884.db2.gz CNKPGMOWSBCHPX-UHFFFAOYSA-N 0 3 195.310 2.270 20 0 AEADHN Cc1nc(CNCC2CC2)sc1C 70627151 486791037 /nfs/dbraw/zinc/79/10/37/486791037.db2.gz PDRQOFAYAHTZKD-UHFFFAOYSA-N 0 3 196.319 2.260 20 0 AEADHN CCC[C@@H](C)N(C)Cc1cncn1C 674370013 486795731 /nfs/dbraw/zinc/79/57/31/486795731.db2.gz JOBNNWWZHOPGPG-SNVBAGLBSA-N 0 3 195.310 2.041 20 0 AEADHN CCC[C@H](C)N(C)Cc1cncn1C 674370012 486795998 /nfs/dbraw/zinc/79/59/98/486795998.db2.gz JOBNNWWZHOPGPG-JTQLQIEISA-N 0 3 195.310 2.041 20 0 AEADHN CCC(C)(C)N(C)Cc1cncn1C 674369822 486796225 /nfs/dbraw/zinc/79/62/25/486796225.db2.gz JTYJWGYQWRKMGS-UHFFFAOYSA-N 0 3 195.310 2.041 20 0 AEADHN C[C@@H]1CCC[C@@H]1NCc1cscn1 70916672 486796817 /nfs/dbraw/zinc/79/68/17/486796817.db2.gz HHKHEXASGZJPEC-SCZZXKLOSA-N 0 3 196.319 2.421 20 0 AEADHN CCN1CCc2cc(OC)ccc2C1 74448461 486798796 /nfs/dbraw/zinc/79/87/96/486798796.db2.gz AKQBKANKLIQVRM-UHFFFAOYSA-N 0 3 191.274 2.073 20 0 AEADHN CCN1CCc2cccc(OC)c2C1 74450682 486798842 /nfs/dbraw/zinc/79/88/42/486798842.db2.gz SYMGFUPCNLVVCL-UHFFFAOYSA-N 0 3 191.274 2.073 20 0 AEADHN CCN1CCc2ccc(C)cc2C1 74447860 486798974 /nfs/dbraw/zinc/79/89/74/486798974.db2.gz QQCRNJJKGNOVOM-UHFFFAOYSA-N 0 3 175.275 2.373 20 0 AEADHN C[C@H](N(C)Cc1ccno1)C1(C)CC1 674506334 486803920 /nfs/dbraw/zinc/80/39/20/486803920.db2.gz GSPFMALFDLOVOT-VIFPVBQESA-N 0 3 194.278 2.295 20 0 AEADHN C[C@@H](N(C)Cc1ccno1)C1(C)CC1 674506333 486804036 /nfs/dbraw/zinc/80/40/36/486804036.db2.gz GSPFMALFDLOVOT-SECBINFHSA-N 0 3 194.278 2.295 20 0 AEADHN CCCN(CCC)Cc1cnn(C)c1 674713626 486809667 /nfs/dbraw/zinc/80/96/67/486809667.db2.gz DMSMRJDBZLFAIG-UHFFFAOYSA-N 0 3 195.310 2.042 20 0 AEADHN CN(Cc1cn[nH]c1)CC1CCCC1 674752323 486810754 /nfs/dbraw/zinc/81/07/54/486810754.db2.gz HVJBTIGMHXRLQU-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CN(CCC(C)(C)C)Cc1cn[nH]c1 674753230 486811107 /nfs/dbraw/zinc/81/11/07/486811107.db2.gz CHCOHWVHKHHCSQ-UHFFFAOYSA-N 0 3 195.310 2.278 20 0 AEADHN CCCCN(CC)Cc1cnn(C)c1 674767068 486811622 /nfs/dbraw/zinc/81/16/22/486811622.db2.gz XFEANGGIUJEYGG-UHFFFAOYSA-N 0 3 195.310 2.042 20 0 AEADHN CCCN(Cc1ccno1)CC1CC1 674787241 486812411 /nfs/dbraw/zinc/81/24/11/486812411.db2.gz MDDLQBZHSRLTEC-UHFFFAOYSA-N 0 3 194.278 2.297 20 0 AEADHN COCC[C@H](C)N(C)Cc1ccco1 674858840 486813594 /nfs/dbraw/zinc/81/35/94/486813594.db2.gz AQPLVNHBEGBVAO-JTQLQIEISA-N 0 3 197.278 2.136 20 0 AEADHN CC[C@@H](C)CN1C[C@H](C)O[C@H](C)C1 674858915 486813831 /nfs/dbraw/zinc/81/38/31/486813831.db2.gz FEIFXHJUONFWGH-MXWKQRLJSA-N 0 3 185.311 2.142 20 0 AEADHN CC[C@H](C)CN1C[C@H](C)O[C@H](C)C1 674858913 486814041 /nfs/dbraw/zinc/81/40/41/486814041.db2.gz FEIFXHJUONFWGH-GARJFASQSA-N 0 3 185.311 2.142 20 0 AEADHN COCC[C@@H](C)N(C)Cc1ccco1 674858841 486814588 /nfs/dbraw/zinc/81/45/88/486814588.db2.gz AQPLVNHBEGBVAO-SNVBAGLBSA-N 0 3 197.278 2.136 20 0 AEADHN CC[C@H](C)CN1C[C@@H](C)OC[C@@H]1C 674860955 486815005 /nfs/dbraw/zinc/81/50/05/486815005.db2.gz VXQQYVSNVSKGQA-GARJFASQSA-N 0 3 185.311 2.142 20 0 AEADHN CC[C@H](C)CN1CCOCC1(C)C 674861567 486815119 /nfs/dbraw/zinc/81/51/19/486815119.db2.gz XBUXUQPJSGVKCK-JTQLQIEISA-N 0 3 185.311 2.143 20 0 AEADHN CC[C@@H](C)CN1CCO[C@H](CC)C1 674861045 486815156 /nfs/dbraw/zinc/81/51/56/486815156.db2.gz YLLKXAKCRJCURQ-GHMZBOCLSA-N 0 3 185.311 2.143 20 0 AEADHN CC[C@H](C)CN1C[C@@H](C)OC[C@H]1C 674860956 486815190 /nfs/dbraw/zinc/81/51/90/486815190.db2.gz VXQQYVSNVSKGQA-HBNTYKKESA-N 0 3 185.311 2.142 20 0 AEADHN CCCN1CCN(C[C@H](C)CC)CC1 674860973 486815330 /nfs/dbraw/zinc/81/53/30/486815330.db2.gz WLABIHHGGXVYEB-GFCCVEGCSA-N 0 3 198.354 2.060 20 0 AEADHN CC[C@H](C)CN1C[C@H](C)OC[C@H]1C 674860953 486815408 /nfs/dbraw/zinc/81/54/08/486815408.db2.gz VXQQYVSNVSKGQA-AXFHLTTASA-N 0 3 185.311 2.142 20 0 AEADHN CCCN1CCN(C[C@@H](C)CC)CC1 674860975 486815476 /nfs/dbraw/zinc/81/54/76/486815476.db2.gz WLABIHHGGXVYEB-LBPRGKRZSA-N 0 3 198.354 2.060 20 0 AEADHN CC[C@H](C)CN1CCO[C@@H](CC)C1 674861049 486815600 /nfs/dbraw/zinc/81/56/00/486815600.db2.gz YLLKXAKCRJCURQ-QWRGUYRKSA-N 0 3 185.311 2.143 20 0 AEADHN CC[C@H](C)CN1CCO[C@H](CC)C1 674861051 486815895 /nfs/dbraw/zinc/81/58/95/486815895.db2.gz YLLKXAKCRJCURQ-WDEREUQCSA-N 0 3 185.311 2.143 20 0 AEADHN CC[C@@H](C)CN1CCOCC1(C)C 674861569 486815683 /nfs/dbraw/zinc/81/56/83/486815683.db2.gz XBUXUQPJSGVKCK-SNVBAGLBSA-N 0 3 185.311 2.143 20 0 AEADHN COCC[C@H](C)N(C)Cc1ccoc1 674860992 486815762 /nfs/dbraw/zinc/81/57/62/486815762.db2.gz JSBOGKNQFQWEPB-JTQLQIEISA-N 0 3 197.278 2.136 20 0 AEADHN CC[C@H]1CN(C[C@H](C)CC)CCO1 674861048 486815849 /nfs/dbraw/zinc/81/58/49/486815849.db2.gz YLLKXAKCRJCURQ-MNOVXSKESA-N 0 3 185.311 2.143 20 0 AEADHN COCC[C@@H](C)N(C)Cc1ccoc1 674860993 486815916 /nfs/dbraw/zinc/81/59/16/486815916.db2.gz JSBOGKNQFQWEPB-SNVBAGLBSA-N 0 3 197.278 2.136 20 0 AEADHN CC[C@H](C)CN1CCOC[C@@H]1CC 674864773 486816343 /nfs/dbraw/zinc/81/63/43/486816343.db2.gz WZUMFMVLCBIFHF-QWRGUYRKSA-N 0 3 185.311 2.143 20 0 AEADHN CC[C@H]1COCCN1C[C@H](C)CC 674864772 486816395 /nfs/dbraw/zinc/81/63/95/486816395.db2.gz WZUMFMVLCBIFHF-MNOVXSKESA-N 0 3 185.311 2.143 20 0 AEADHN CC[C@H](C)CN1CCOC[C@H]1CC 674864774 486816712 /nfs/dbraw/zinc/81/67/12/486816712.db2.gz WZUMFMVLCBIFHF-WDEREUQCSA-N 0 3 185.311 2.143 20 0 AEADHN CC[C@@H](C)CN1CCOC[C@H]1CC 674864771 486816904 /nfs/dbraw/zinc/81/69/04/486816904.db2.gz WZUMFMVLCBIFHF-GHMZBOCLSA-N 0 3 185.311 2.143 20 0 AEADHN CCc1noc(C)c1CN(CC)CC 675121283 486826732 /nfs/dbraw/zinc/82/67/32/486826732.db2.gz HOSVXSLTGZREDX-UHFFFAOYSA-N 0 3 196.294 2.387 20 0 AEADHN Fc1cnccc1CNC1CCCC1 83094042 486831789 /nfs/dbraw/zinc/83/17/89/486831789.db2.gz YRTQGCJOXYUTKL-UHFFFAOYSA-N 0 3 194.253 2.253 20 0 AEADHN CC[C@@H](C)NCc1ccncc1F 83094061 486831805 /nfs/dbraw/zinc/83/18/05/486831805.db2.gz ZHVHLFZLENBXFY-MRVPVSSYSA-N 0 3 182.242 2.109 20 0 AEADHN CC[C@H](C)NCc1ccncc1F 83094063 486831821 /nfs/dbraw/zinc/83/18/21/486831821.db2.gz ZHVHLFZLENBXFY-QMMMGPOBSA-N 0 3 182.242 2.109 20 0 AEADHN CC(C)(C)NCc1ccncc1F 83094039 486832011 /nfs/dbraw/zinc/83/20/11/486832011.db2.gz BORLHDDBSJGRDG-UHFFFAOYSA-N 0 3 182.242 2.109 20 0 AEADHN CCCCNCc1ccncc1F 83094041 486832125 /nfs/dbraw/zinc/83/21/25/486832125.db2.gz LPUBFCOQKVYDJE-UHFFFAOYSA-N 0 3 182.242 2.110 20 0 AEADHN COc1ccc(CNC2CC2)c(F)c1 83342260 486832436 /nfs/dbraw/zinc/83/24/36/486832436.db2.gz JUELQMGROOSEOH-UHFFFAOYSA-N 0 3 195.237 2.086 20 0 AEADHN Cc1occc1CN(C)CC1CC1 675639934 486845912 /nfs/dbraw/zinc/84/59/12/486845912.db2.gz IGHWFRGPIPCSMT-UHFFFAOYSA-N 0 3 179.263 2.430 20 0 AEADHN CC(C)CN(C)Cc1cccn1C 675506389 486842526 /nfs/dbraw/zinc/84/25/26/486842526.db2.gz ZRTONXNLGQADEZ-UHFFFAOYSA-N 0 3 180.295 2.113 20 0 AEADHN CN(CCC1CC1)Cc1cccn1C 675505604 486842571 /nfs/dbraw/zinc/84/25/71/486842571.db2.gz DMUFTHWOBSPTCJ-UHFFFAOYSA-N 0 3 192.306 2.257 20 0 AEADHN Cc1ccc(CN(C)CC(C)C)cn1 675515763 486842855 /nfs/dbraw/zinc/84/28/55/486842855.db2.gz NLXXXJKXNYDEIN-UHFFFAOYSA-N 0 3 192.306 2.478 20 0 AEADHN CCN(Cc1ccc(C)nc1)C1CC1 675516173 486842878 /nfs/dbraw/zinc/84/28/78/486842878.db2.gz YDJOLADKNKAHHR-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN CN(Cc1ccco1)CC1CC1 675638810 486844522 /nfs/dbraw/zinc/84/45/22/486844522.db2.gz JXYJJGHHEQJKBX-UHFFFAOYSA-N 0 3 165.236 2.121 20 0 AEADHN NCc1ccccc1OCC1CCC1 83837801 486844677 /nfs/dbraw/zinc/84/46/77/486844677.db2.gz UWDCTFZSAUPYMD-UHFFFAOYSA-N 0 3 191.274 2.324 20 0 AEADHN Cc1ncsc1CN(C)CC1CC1 675639616 486845848 /nfs/dbraw/zinc/84/58/48/486845848.db2.gz QXSFGLNWUWIGMY-UHFFFAOYSA-N 0 3 196.319 2.293 20 0 AEADHN CN(Cc1ccoc1)CC1CC1 675640188 486847032 /nfs/dbraw/zinc/84/70/32/486847032.db2.gz QQVSRDDIMNBNJH-UHFFFAOYSA-N 0 3 165.236 2.121 20 0 AEADHN CC(C)=CCN1CCOC(C)(C)[C@@H]1C 675640845 486848229 /nfs/dbraw/zinc/84/82/29/486848229.db2.gz PHJPSCZCCSWHNH-NSHDSACASA-N 0 3 197.322 2.452 20 0 AEADHN CC(C)=CCN1CCOC(C)(C)[C@H]1C 675640844 486848512 /nfs/dbraw/zinc/84/85/12/486848512.db2.gz PHJPSCZCCSWHNH-LLVKDONJSA-N 0 3 197.322 2.452 20 0 AEADHN C[C@@H]1N(CCC2CC2)CCOC1(C)C 675640926 486848696 /nfs/dbraw/zinc/84/86/96/486848696.db2.gz RVTBEFOSAIWTQY-JTQLQIEISA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1N(CCC2CC2)CCOC1(C)C 675640927 486848819 /nfs/dbraw/zinc/84/88/19/486848819.db2.gz RVTBEFOSAIWTQY-SNVBAGLBSA-N 0 3 197.322 2.286 20 0 AEADHN COCc1ccc(CN2CCCC2)o1 675762694 486849574 /nfs/dbraw/zinc/84/95/74/486849574.db2.gz YYPUNXVMTLQTSI-UHFFFAOYSA-N 0 3 195.262 2.022 20 0 AEADHN CC[C@H]1CO[C@@H](C)CN1CC=C(C)C 675841321 486850365 /nfs/dbraw/zinc/85/03/65/486850365.db2.gz KZUVYFHQCSAKLV-RYUDHWBXSA-N 0 3 197.322 2.452 20 0 AEADHN CC[C@@H]1CO[C@H](C)CN1CC=C(C)C 675841322 486850767 /nfs/dbraw/zinc/85/07/67/486850767.db2.gz KZUVYFHQCSAKLV-VXGBXAGGSA-N 0 3 197.322 2.452 20 0 AEADHN CC[C@H]1CO[C@H](C)CN1CC=C(C)C 675841318 486850801 /nfs/dbraw/zinc/85/08/01/486850801.db2.gz KZUVYFHQCSAKLV-NEPJUHHUSA-N 0 3 197.322 2.452 20 0 AEADHN CC[C@@H]1CO[C@@H](C)CN1CC=C(C)C 675841320 486850953 /nfs/dbraw/zinc/85/09/53/486850953.db2.gz KZUVYFHQCSAKLV-NWDGAFQWSA-N 0 3 197.322 2.452 20 0 AEADHN CCCCN1CCOC2(CCCC2)C1 675896626 486851682 /nfs/dbraw/zinc/85/16/82/486851682.db2.gz MKLPHQPRBISXDR-UHFFFAOYSA-N 0 3 197.322 2.432 20 0 AEADHN CC(C)CN1CCOC2(CCCC2)C1 675896634 486851722 /nfs/dbraw/zinc/85/17/22/486851722.db2.gz NCYVTOJTBLGVSQ-UHFFFAOYSA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@H](C)CN1CCO[C@@H](C)[C@@H]1C 675897181 486851758 /nfs/dbraw/zinc/85/17/58/486851758.db2.gz KKVOWIRFVYLSJG-DCAQKATOSA-N 0 3 185.311 2.142 20 0 AEADHN C[C@@H]1OCCN(CC2CCCC2)[C@H]1C 675897516 486851830 /nfs/dbraw/zinc/85/18/30/486851830.db2.gz ZXTMXMMTHFIXFT-QWRGUYRKSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1[C@@H](C)OCCN1CC1CCCC1 675897517 486851893 /nfs/dbraw/zinc/85/18/93/486851893.db2.gz ZXTMXMMTHFIXFT-WDEREUQCSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1OCCN(CC2CCCC2)[C@@H]1C 675897514 486851922 /nfs/dbraw/zinc/85/19/22/486851922.db2.gz ZXTMXMMTHFIXFT-GHMZBOCLSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@@H]1OCCN(CC2CCCC2)[C@@H]1C 675897515 486851946 /nfs/dbraw/zinc/85/19/46/486851946.db2.gz ZXTMXMMTHFIXFT-MNOVXSKESA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@H](C)CN1CCO[C@H](C)[C@@H]1C 675897182 486852127 /nfs/dbraw/zinc/85/21/27/486852127.db2.gz KKVOWIRFVYLSJG-GARJFASQSA-N 0 3 185.311 2.142 20 0 AEADHN CN(CCCF)Cc1cccc(O)c1 675892717 486852524 /nfs/dbraw/zinc/85/25/24/486852524.db2.gz WODQUIFAYXTEQX-UHFFFAOYSA-N 0 3 197.253 2.184 20 0 AEADHN CC[C@H](C)CN1CCO[C@@H](C)[C@H]1C 675897180 486852573 /nfs/dbraw/zinc/85/25/73/486852573.db2.gz KKVOWIRFVYLSJG-AXFHLTTASA-N 0 3 185.311 2.142 20 0 AEADHN CC[C@H](C)CN1CCO[C@H](C)[C@H]1C 675897183 486852699 /nfs/dbraw/zinc/85/26/99/486852699.db2.gz KKVOWIRFVYLSJG-HBNTYKKESA-N 0 3 185.311 2.142 20 0 AEADHN CNCc1nc(CC(C)C)cs1 84449166 486861943 /nfs/dbraw/zinc/86/19/43/486861943.db2.gz QIUVEKWMJMPYSR-UHFFFAOYSA-N 0 3 184.308 2.061 20 0 AEADHN CCCN(CC)Cc1c(C)n[nH]c1C 676414680 486861995 /nfs/dbraw/zinc/86/19/95/486861995.db2.gz WANSSDDHEGUOGN-UHFFFAOYSA-N 0 3 195.310 2.258 20 0 AEADHN CCCN(CC)Cc1cnn(CC)c1 676414233 486862026 /nfs/dbraw/zinc/86/20/26/486862026.db2.gz OBNLIJRUEYRNID-UHFFFAOYSA-N 0 3 195.310 2.135 20 0 AEADHN CCN(Cc1ccncc1)C1CCC1 676483462 486862826 /nfs/dbraw/zinc/86/28/26/486862826.db2.gz FXIIZZFSNLPKTG-UHFFFAOYSA-N 0 3 190.290 2.456 20 0 AEADHN Cc1ccc(CN(C)CC(C)C)nc1 676557487 486863871 /nfs/dbraw/zinc/86/38/71/486863871.db2.gz UTOZWPYNFOXBAL-UHFFFAOYSA-N 0 3 192.306 2.478 20 0 AEADHN Cc1ccncc1CN(C)CC(C)C 676557478 486864213 /nfs/dbraw/zinc/86/42/13/486864213.db2.gz UKVZVAWHNRTCLK-UHFFFAOYSA-N 0 3 192.306 2.478 20 0 AEADHN CCN(Cc1cnccc1C)C1CC1 676555769 486864610 /nfs/dbraw/zinc/86/46/10/486864610.db2.gz HZDVAPVRTMWLFZ-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN CCN(Cc1ccc(C)cn1)C1CC1 676555642 486864689 /nfs/dbraw/zinc/86/46/89/486864689.db2.gz CGOQNGLYYQZKES-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN CN(CCC1CC1)Cc1ccccn1 676716137 486867471 /nfs/dbraw/zinc/86/74/71/486867471.db2.gz JDWKAGINIOHWAP-UHFFFAOYSA-N 0 3 190.290 2.314 20 0 AEADHN CN(CCC1CC1)Cc1ccncc1 676716113 486867565 /nfs/dbraw/zinc/86/75/65/486867565.db2.gz GTQKMGSJJTZKSW-UHFFFAOYSA-N 0 3 190.290 2.314 20 0 AEADHN CC[C@H](C)CN1CCOCC12CCC2 676716410 486868675 /nfs/dbraw/zinc/86/86/75/486868675.db2.gz XQNVDNRMKMTXDS-NSHDSACASA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@@H](C)CN1CCOCC12CCC2 676716409 486868744 /nfs/dbraw/zinc/86/87/44/486868744.db2.gz XQNVDNRMKMTXDS-LLVKDONJSA-N 0 3 197.322 2.287 20 0 AEADHN CN(CCC1CC1)Cc1cccnc1 676716236 486869630 /nfs/dbraw/zinc/86/96/30/486869630.db2.gz UGIQIDIZJUUWHT-UHFFFAOYSA-N 0 3 190.290 2.314 20 0 AEADHN CC(C)CCN1CCOCC12CCC2 676716368 486869650 /nfs/dbraw/zinc/86/96/50/486869650.db2.gz AXKIMABTYUMZOD-UHFFFAOYSA-N 0 3 197.322 2.287 20 0 AEADHN Cc1cc(CN(C)CCC2CC2)on1 676716244 486869677 /nfs/dbraw/zinc/86/96/77/486869677.db2.gz WDZCDGIKBUBLCS-UHFFFAOYSA-N 0 3 194.278 2.215 20 0 AEADHN CCCN(C)CCc1nccs1 677063439 486878130 /nfs/dbraw/zinc/87/81/30/486878130.db2.gz ZOTCEMDIQZCYGJ-UHFFFAOYSA-N 0 3 184.308 2.027 20 0 AEADHN CC(C)N(C)CCc1nccs1 677061813 486878619 /nfs/dbraw/zinc/87/86/19/486878619.db2.gz BRWNCQCGIFLWNU-UHFFFAOYSA-N 0 3 184.308 2.026 20 0 AEADHN CCC(CC)N(CC)Cc1c[nH]cn1 677249624 486880983 /nfs/dbraw/zinc/88/09/83/486880983.db2.gz VKRJHNVRPRCGJM-UHFFFAOYSA-N 0 3 195.310 2.420 20 0 AEADHN CCCN(C)CCc1c(C)noc1C 677375680 486884470 /nfs/dbraw/zinc/88/44/70/486884470.db2.gz KTGCIGXUMBOKDE-UHFFFAOYSA-N 0 3 196.294 2.176 20 0 AEADHN CCN(CC)CCc1c(C)noc1C 677375943 486884798 /nfs/dbraw/zinc/88/47/98/486884798.db2.gz VEXGQFKXSYLDGF-UHFFFAOYSA-N 0 3 196.294 2.176 20 0 AEADHN CC1=CCN(CCOC(C)C)CC1 677380370 486885523 /nfs/dbraw/zinc/88/55/23/486885523.db2.gz YZOAAZSYWHYRSL-UHFFFAOYSA-N 0 3 183.295 2.063 20 0 AEADHN CC1=CCN(CCOCC2CC2)CC1 677380384 486886315 /nfs/dbraw/zinc/88/63/15/486886315.db2.gz ZLMDDJWJRDCITP-UHFFFAOYSA-N 0 3 195.306 2.065 20 0 AEADHN CCC[C@@H]1CN(CC2CCC2)CCO1 677571104 486889865 /nfs/dbraw/zinc/88/98/65/486889865.db2.gz VJDDXFLEGLFCDI-GFCCVEGCSA-N 0 3 197.322 2.287 20 0 AEADHN CCC[C@H]1CN(CCC2CC2)CCO1 677571989 486890026 /nfs/dbraw/zinc/89/00/26/486890026.db2.gz NJOCJRBAQBVKKR-LBPRGKRZSA-N 0 3 197.322 2.287 20 0 AEADHN CCC[C@@H]1CN(CCC2CC2)CCO1 677571988 486890442 /nfs/dbraw/zinc/89/04/42/486890442.db2.gz NJOCJRBAQBVKKR-GFCCVEGCSA-N 0 3 197.322 2.287 20 0 AEADHN CCC[C@H]1CN(CC2CCC2)CCO1 677571105 486890473 /nfs/dbraw/zinc/89/04/73/486890473.db2.gz VJDDXFLEGLFCDI-LBPRGKRZSA-N 0 3 197.322 2.287 20 0 AEADHN c1cc(CN2CCC3(CC2)CC3)on1 677717084 486894484 /nfs/dbraw/zinc/89/44/84/486894484.db2.gz DXJJLQVYSTYQOW-UHFFFAOYSA-N 0 3 192.262 2.051 20 0 AEADHN CC[C@@]1(C)COCCN1CCC1CC1 677728104 486895032 /nfs/dbraw/zinc/89/50/32/486895032.db2.gz AROAZPCVHMTEOR-LBPRGKRZSA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@]1(C)COCCN1CCC1CC1 677728103 486895114 /nfs/dbraw/zinc/89/51/14/486895114.db2.gz AROAZPCVHMTEOR-GFCCVEGCSA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@@H](C)CN1CCOC[C@@H]1C1CC1 677737016 486895614 /nfs/dbraw/zinc/89/56/14/486895614.db2.gz IRFVZHFVHVSLLE-ZYHUDNBSSA-N 0 3 197.322 2.143 20 0 AEADHN CC[C@H](C)CN1CCOC[C@H]1C1CC1 677737013 486896122 /nfs/dbraw/zinc/89/61/22/486896122.db2.gz IRFVZHFVHVSLLE-JQWIXIFHSA-N 0 3 197.322 2.143 20 0 AEADHN CC[C@@]1(C)COCCN1CC=C(C)C 677729081 486896249 /nfs/dbraw/zinc/89/62/49/486896249.db2.gz VNOJNDMRIJSIIJ-LBPRGKRZSA-N 0 3 197.322 2.454 20 0 AEADHN CC[C@@H](C)CN1CCOC[C@H]1C1CC1 677737014 486896460 /nfs/dbraw/zinc/89/64/60/486896460.db2.gz IRFVZHFVHVSLLE-PWSUYJOCSA-N 0 3 197.322 2.143 20 0 AEADHN CC[C@]1(C)COCCN1CC=C(C)C 677729080 486896511 /nfs/dbraw/zinc/89/65/11/486896511.db2.gz VNOJNDMRIJSIIJ-GFCCVEGCSA-N 0 3 197.322 2.454 20 0 AEADHN CC[C@H](C)CN1CCOC[C@@H]1C1CC1 677737011 486896566 /nfs/dbraw/zinc/89/65/66/486896566.db2.gz IRFVZHFVHVSLLE-CMPLNLGQSA-N 0 3 197.322 2.143 20 0 AEADHN CCCCCN1CCOC[C@@H]1C1CC1 677737385 486897079 /nfs/dbraw/zinc/89/70/79/486897079.db2.gz SNGMDQHCQISCOM-GFCCVEGCSA-N 0 3 197.322 2.287 20 0 AEADHN CCCCCN1CCOC[C@H]1C1CC1 677737386 486897447 /nfs/dbraw/zinc/89/74/47/486897447.db2.gz SNGMDQHCQISCOM-LBPRGKRZSA-N 0 3 197.322 2.287 20 0 AEADHN CC(C)CCN1CCOC[C@@H]1C1CC1 677737413 486897584 /nfs/dbraw/zinc/89/75/84/486897584.db2.gz WPFUPNJUFAKLHR-GFCCVEGCSA-N 0 3 197.322 2.143 20 0 AEADHN CC(C)CCN1CCOC[C@H]1C1CC1 677737414 486897608 /nfs/dbraw/zinc/89/76/08/486897608.db2.gz WPFUPNJUFAKLHR-LBPRGKRZSA-N 0 3 197.322 2.143 20 0 AEADHN Cc1ccc(CN[C@H](C)C2CC2)nc1 87782166 486901215 /nfs/dbraw/zinc/90/12/15/486901215.db2.gz QNSFRTOGTQKKAJ-SNVBAGLBSA-N 0 3 190.290 2.278 20 0 AEADHN Cc1ccc(CN[C@@H](C)C2CC2)nc1 87782164 486901415 /nfs/dbraw/zinc/90/14/15/486901415.db2.gz QNSFRTOGTQKKAJ-JTQLQIEISA-N 0 3 190.290 2.278 20 0 AEADHN COC[C@H](C)N(C)Cc1ccsc1 677882230 486905146 /nfs/dbraw/zinc/90/51/46/486905146.db2.gz MQTXRFGAWZPRON-VIFPVBQESA-N 0 3 199.319 2.215 20 0 AEADHN COC[C@@H](C)N(C)Cc1ccsc1 677882229 486905212 /nfs/dbraw/zinc/90/52/12/486905212.db2.gz MQTXRFGAWZPRON-SECBINFHSA-N 0 3 199.319 2.215 20 0 AEADHN C[C@H](NCc1ccon1)C1CCCC1 88052965 486909476 /nfs/dbraw/zinc/90/94/76/486909476.db2.gz VFIWFVFEYQNKBI-VIFPVBQESA-N 0 3 194.278 2.343 20 0 AEADHN C[C@@H](NCc1ccon1)C1CCCC1 88052966 486909729 /nfs/dbraw/zinc/90/97/29/486909729.db2.gz VFIWFVFEYQNKBI-SECBINFHSA-N 0 3 194.278 2.343 20 0 AEADHN CCCN(CCC)Cc1ccn(C)n1 677951872 486910733 /nfs/dbraw/zinc/91/07/33/486910733.db2.gz VSOLBKGCNOFFOK-UHFFFAOYSA-N 0 3 195.310 2.042 20 0 AEADHN CC(=O)CN(C)[C@@H](C)C1CCCCC1 88386679 486910824 /nfs/dbraw/zinc/91/08/24/486910824.db2.gz OJTZUKKNWZIFQI-NSHDSACASA-N 0 3 197.322 2.476 20 0 AEADHN CC(C)CCN1CCOC2(CCC2)C1 677990586 486911014 /nfs/dbraw/zinc/91/10/14/486911014.db2.gz PXASYJJNHZWFMU-UHFFFAOYSA-N 0 3 197.322 2.287 20 0 AEADHN CC(=O)CN(C)[C@H](C)C1CCCCC1 88386683 486911296 /nfs/dbraw/zinc/91/12/96/486911296.db2.gz OJTZUKKNWZIFQI-LLVKDONJSA-N 0 3 197.322 2.476 20 0 AEADHN CC[C@H](C)CN1CCOC2(CCC2)C1 677991409 486912103 /nfs/dbraw/zinc/91/21/03/486912103.db2.gz KFSFIQJORLGVGY-NSHDSACASA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@@H](C)CN1CCOC2(CCC2)C1 677991408 486912751 /nfs/dbraw/zinc/91/27/51/486912751.db2.gz KFSFIQJORLGVGY-LLVKDONJSA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@H](C)CN1CC(C(F)F)C1 678054065 486915515 /nfs/dbraw/zinc/91/55/15/486915515.db2.gz WQRCSNIRBFJDOU-ZETCQYMHSA-N 0 3 177.238 2.229 20 0 AEADHN CC[C@@H](C)CN1CC(C(F)F)C1 678054064 486915716 /nfs/dbraw/zinc/91/57/16/486915716.db2.gz WQRCSNIRBFJDOU-SSDOTTSWSA-N 0 3 177.238 2.229 20 0 AEADHN CCN(CCCF)Cc1ccncc1 678083810 486916139 /nfs/dbraw/zinc/91/61/39/486916139.db2.gz SNRGNHWRWYVWLI-UHFFFAOYSA-N 0 3 196.269 2.263 20 0 AEADHN CN(Cc1cn[nH]c1)C1CCCCC1 678119917 486917519 /nfs/dbraw/zinc/91/75/19/486917519.db2.gz FFQCKEKSSBYQGK-UHFFFAOYSA-N 0 3 193.294 2.174 20 0 AEADHN CCCCN(CC)Cc1c[nH]nc1C 678120638 486917556 /nfs/dbraw/zinc/91/75/56/486917556.db2.gz GCMSBNZEVBGTQX-UHFFFAOYSA-N 0 3 195.310 2.340 20 0 AEADHN C[C@H]1CCC[C@@H](C)N1Cc1cn[nH]c1 678120145 486917626 /nfs/dbraw/zinc/91/76/26/486917626.db2.gz ADMMLNXWHUMWFO-AOOOYVTPSA-N 0 3 193.294 2.173 20 0 AEADHN COCc1ccc(CN(C)C(C)C)o1 678120921 486917722 /nfs/dbraw/zinc/91/77/22/486917722.db2.gz LTXQZFOCJWPVAB-UHFFFAOYSA-N 0 3 197.278 2.266 20 0 AEADHN CCN(CC)Cc1ccc(COC)o1 678120713 486917771 /nfs/dbraw/zinc/91/77/71/486917771.db2.gz XXUXYORTESXMKV-UHFFFAOYSA-N 0 3 197.278 2.268 20 0 AEADHN C[C@H]1CCC[C@H](C)N1Cc1cn[nH]c1 678120147 486917835 /nfs/dbraw/zinc/91/78/35/486917835.db2.gz ADMMLNXWHUMWFO-UWVGGRQHSA-N 0 3 193.294 2.173 20 0 AEADHN CC[C@@H]1CCCCN1Cc1cn[nH]c1 678120656 486917867 /nfs/dbraw/zinc/91/78/67/486917867.db2.gz WTPJRSUGNUVCJD-LLVKDONJSA-N 0 3 193.294 2.174 20 0 AEADHN CCCN(CC)Cc1ccnn1CC 678118680 486918003 /nfs/dbraw/zinc/91/80/03/486918003.db2.gz VJJBVSCXFAHBDW-UHFFFAOYSA-N 0 3 195.310 2.135 20 0 AEADHN CCN(CC)Cc1cnn(C(C)C)c1 678120445 486918082 /nfs/dbraw/zinc/91/80/82/486918082.db2.gz UBBOGMVFTOZFRO-UHFFFAOYSA-N 0 3 195.310 2.306 20 0 AEADHN CCCN(CCC)Cc1c[nH]nc1C 678120598 486918138 /nfs/dbraw/zinc/91/81/38/486918138.db2.gz LMKBAHUHCWKCKU-UHFFFAOYSA-N 0 3 195.310 2.340 20 0 AEADHN CC[C@H]1CCCCN1Cc1cn[nH]c1 678120658 486918147 /nfs/dbraw/zinc/91/81/47/486918147.db2.gz WTPJRSUGNUVCJD-NSHDSACASA-N 0 3 193.294 2.174 20 0 AEADHN C[C@@H]1CCC[C@@H](C)N1Cc1cn[nH]c1 678120146 486918163 /nfs/dbraw/zinc/91/81/63/486918163.db2.gz ADMMLNXWHUMWFO-NXEZZACHSA-N 0 3 193.294 2.173 20 0 AEADHN CCCCN(C)Cc1c(C)n[nH]c1C 678121059 486918929 /nfs/dbraw/zinc/91/89/29/486918929.db2.gz YJVYQVIUIOGPGQ-UHFFFAOYSA-N 0 3 195.310 2.258 20 0 AEADHN CC(C)N(C)Cc1cnn(C(C)C)c1 678121130 486918949 /nfs/dbraw/zinc/91/89/49/486918949.db2.gz QTHBATOHQFQYTF-UHFFFAOYSA-N 0 3 195.310 2.304 20 0 AEADHN Cc1ncccc1CN(C)CC(C)C 678132734 486919129 /nfs/dbraw/zinc/91/91/29/486919129.db2.gz MOZREYYDGDWYHW-UHFFFAOYSA-N 0 3 192.306 2.478 20 0 AEADHN CCCN(C)Cc1occc1C 678132429 486919237 /nfs/dbraw/zinc/91/92/37/486919237.db2.gz GUKRFXJWNVHGHS-UHFFFAOYSA-N 0 3 167.252 2.430 20 0 AEADHN Cc1n[nH]c(C)c1CN(C)CC(C)C 678132869 486919255 /nfs/dbraw/zinc/91/92/55/486919255.db2.gz NLKLHKYQKFMFMO-UHFFFAOYSA-N 0 3 195.310 2.114 20 0 AEADHN CCCCN(CC)Cc1ccnn1C 678121251 486919330 /nfs/dbraw/zinc/91/93/30/486919330.db2.gz ZUXKPEUIKOYQMY-UHFFFAOYSA-N 0 3 195.310 2.042 20 0 AEADHN CC(C)CN(C)Cc1cncs1 678132352 486919310 /nfs/dbraw/zinc/91/93/10/486919310.db2.gz BTIQLMIQPRTRBG-UHFFFAOYSA-N 0 3 184.308 2.231 20 0 AEADHN CCCN(C)Cc1cnn(C(C)C)c1 678132977 486919726 /nfs/dbraw/zinc/91/97/26/486919726.db2.gz RAIMZKQMFCKSHP-UHFFFAOYSA-N 0 3 195.310 2.306 20 0 AEADHN Cc1n[nH]cc1CN(C)CCC(C)C 678136748 486919754 /nfs/dbraw/zinc/91/97/54/486919754.db2.gz HQAMIVYPTPKCPM-UHFFFAOYSA-N 0 3 195.310 2.196 20 0 AEADHN CCCN(Cc1c[nH]nc1C)C1CC1 678138149 486919868 /nfs/dbraw/zinc/91/98/68/486919868.db2.gz HZQJFBCKUKBOBO-UHFFFAOYSA-N 0 3 193.294 2.093 20 0 AEADHN CCN(Cc1cnn(CC)c1)C(C)C 678134330 486919903 /nfs/dbraw/zinc/91/99/03/486919903.db2.gz YCVVNAABCRBUHJ-UHFFFAOYSA-N 0 3 195.310 2.133 20 0 AEADHN CCN(Cc1c(C)n[nH]c1C)C1CC1 678138261 486920031 /nfs/dbraw/zinc/92/00/31/486920031.db2.gz AGXWUCSNQBZSPX-UHFFFAOYSA-N 0 3 193.294 2.011 20 0 AEADHN CCCN(Cc1cccn1C)C1CC1 678138177 486920272 /nfs/dbraw/zinc/92/02/72/486920272.db2.gz KGJCGENOHMTIFI-UHFFFAOYSA-N 0 3 192.306 2.400 20 0 AEADHN Cc1n[nH]cc1CN(C)[C@@H](C)C(C)C 678137786 486920482 /nfs/dbraw/zinc/92/04/82/486920482.db2.gz VDMHBUAWOFLHSZ-JTQLQIEISA-N 0 3 195.310 2.194 20 0 AEADHN Cc1n[nH]cc1CN(C)[C@H](C)C(C)C 678137787 486920532 /nfs/dbraw/zinc/92/05/32/486920532.db2.gz VDMHBUAWOFLHSZ-SNVBAGLBSA-N 0 3 195.310 2.194 20 0 AEADHN C[C@H](CF)NCc1ccccc1 107121346 486920633 /nfs/dbraw/zinc/92/06/33/486920633.db2.gz QDEDQSVMGQWILD-SECBINFHSA-N 0 3 167.227 2.134 20 0 AEADHN CC[C@@H](C)N(C)Cc1cnn(CC)c1 678141361 486921240 /nfs/dbraw/zinc/92/12/40/486921240.db2.gz XHRMXTZTQIVRGV-SNVBAGLBSA-N 0 3 195.310 2.133 20 0 AEADHN CC[C@@H](C)N(C)Cc1ccnn1CC 678140854 486921256 /nfs/dbraw/zinc/92/12/56/486921256.db2.gz OKZHELYZLMHISN-SNVBAGLBSA-N 0 3 195.310 2.133 20 0 AEADHN CC[C@H](C)N(C)Cc1c(C)n[nH]c1C 678140503 486921284 /nfs/dbraw/zinc/92/12/84/486921284.db2.gz GGAFUIVOXVVFGB-QMMMGPOBSA-N 0 3 195.310 2.257 20 0 AEADHN CCCCN(Cc1cn[nH]c1)C1CC1 678138429 486921296 /nfs/dbraw/zinc/92/12/96/486921296.db2.gz UBOFAQFOCXNZJI-UHFFFAOYSA-N 0 3 193.294 2.174 20 0 AEADHN CCC[C@H](C)N(C)Cc1ccnn1C 678140645 486921395 /nfs/dbraw/zinc/92/13/95/486921395.db2.gz KOJSSDABBZDSSH-JTQLQIEISA-N 0 3 195.310 2.041 20 0 AEADHN CCC[C@@H](C)N(C)Cc1c[nH]nc1C 678140800 486921443 /nfs/dbraw/zinc/92/14/43/486921443.db2.gz MURVYCLLHKLING-SECBINFHSA-N 0 3 195.310 2.339 20 0 AEADHN CC[C@H](C)N(C)Cc1cnn(CC)c1 678141359 486921514 /nfs/dbraw/zinc/92/15/14/486921514.db2.gz XHRMXTZTQIVRGV-JTQLQIEISA-N 0 3 195.310 2.133 20 0 AEADHN CC[C@@H](C)N(C)Cc1c(C)n[nH]c1C 678140493 486921565 /nfs/dbraw/zinc/92/15/65/486921565.db2.gz GGAFUIVOXVVFGB-MRVPVSSYSA-N 0 3 195.310 2.257 20 0 AEADHN CCC[C@@H](C)N(C)Cc1ccnn1C 678140746 486921603 /nfs/dbraw/zinc/92/16/03/486921603.db2.gz KOJSSDABBZDSSH-SNVBAGLBSA-N 0 3 195.310 2.041 20 0 AEADHN CC[C@H](C)N(C)Cc1ccnn1CC 678140853 486921656 /nfs/dbraw/zinc/92/16/56/486921656.db2.gz OKZHELYZLMHISN-JTQLQIEISA-N 0 3 195.310 2.133 20 0 AEADHN CCN(Cc1c[nH]nc1C)CC(C)C 678140442 486922116 /nfs/dbraw/zinc/92/21/16/486922116.db2.gz LLSMCMZAPGYFDJ-UHFFFAOYSA-N 0 3 195.310 2.196 20 0 AEADHN CCN(Cc1cccnc1C)C1CC1 678138755 486922140 /nfs/dbraw/zinc/92/21/40/486922140.db2.gz WIIKCDBUNCFKSO-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN CCC[C@H](C)N(C)Cc1c[nH]nc1C 678140801 486922152 /nfs/dbraw/zinc/92/21/52/486922152.db2.gz MURVYCLLHKLING-VIFPVBQESA-N 0 3 195.310 2.339 20 0 AEADHN CC(C)C[C@H](C)N(C)Cc1cn[nH]c1 678153171 486922585 /nfs/dbraw/zinc/92/25/85/486922585.db2.gz GVODBVNVPKFFIH-JTQLQIEISA-N 0 3 195.310 2.276 20 0 AEADHN CCCN(Cc1cc[nH]n1)CC(C)C 678145862 486922622 /nfs/dbraw/zinc/92/26/22/486922622.db2.gz WIUKKNXXXNRWHS-UHFFFAOYSA-N 0 3 195.310 2.278 20 0 AEADHN CC(C)N(Cc1cc[nH]n1)CC1CC1 678157302 486922772 /nfs/dbraw/zinc/92/27/72/486922772.db2.gz VYGZVWQHVUODSK-UHFFFAOYSA-N 0 3 193.294 2.030 20 0 AEADHN CC(C)CN(Cc1cn[nH]c1)C1CC1 678153204 486922984 /nfs/dbraw/zinc/92/29/84/486922984.db2.gz BJIRDYOCFYMBLB-UHFFFAOYSA-N 0 3 193.294 2.030 20 0 AEADHN CC(C)C[C@@H](C)N(C)Cc1cn[nH]c1 678153172 486923175 /nfs/dbraw/zinc/92/31/75/486923175.db2.gz GVODBVNVPKFFIH-SNVBAGLBSA-N 0 3 195.310 2.276 20 0 AEADHN CC(C)CN(Cc1cc[nH]n1)C(C)C 678171191 486923274 /nfs/dbraw/zinc/92/32/74/486923274.db2.gz FJQUNNJDOSBMGH-UHFFFAOYSA-N 0 3 195.310 2.276 20 0 AEADHN Cc1n[nH]cc1CN(C(C)C)C1CC1 678152771 486923420 /nfs/dbraw/zinc/92/34/20/486923420.db2.gz TWCMVVOSVPGRAY-UHFFFAOYSA-N 0 3 193.294 2.091 20 0 AEADHN CC(C)N(Cc1cccn1C)C1CC1 678152890 486923450 /nfs/dbraw/zinc/92/34/50/486923450.db2.gz ZZPWKBZFIJQTKS-UHFFFAOYSA-N 0 3 192.306 2.398 20 0 AEADHN C[C@H](N(C)Cc1cn[nH]c1)C(C)(C)C 678153134 486923521 /nfs/dbraw/zinc/92/35/21/486923521.db2.gz DFYSGKLCRLUYNH-VIFPVBQESA-N 0 3 195.310 2.276 20 0 AEADHN C[C@@H](N(C)Cc1cn[nH]c1)C(C)(C)C 678153133 486923537 /nfs/dbraw/zinc/92/35/37/486923537.db2.gz DFYSGKLCRLUYNH-SECBINFHSA-N 0 3 195.310 2.276 20 0 AEADHN CC1CCC(CN2CCOCC2)CC1 112940864 486924115 /nfs/dbraw/zinc/92/41/15/486924115.db2.gz XCLLLMIZNKFVKJ-UHFFFAOYSA-N 0 3 197.322 2.145 20 0 AEADHN CCN1CCN(CCC(C)(C)C)CC1 113263256 486924284 /nfs/dbraw/zinc/92/42/84/486924284.db2.gz PSOVDDLEVPAMCH-UHFFFAOYSA-N 0 3 198.354 2.060 20 0 AEADHN COCCN(C)Cc1ccc(C)cc1 112940451 486924306 /nfs/dbraw/zinc/92/43/06/486924306.db2.gz WCPNLLXEOITEPG-UHFFFAOYSA-N 0 3 193.290 2.073 20 0 AEADHN CC[C@H](C)CN(C)Cc1c[nH]nc1C 678172580 486924396 /nfs/dbraw/zinc/92/43/96/486924396.db2.gz FGKOQYMBXCDQOA-VIFPVBQESA-N 0 3 195.310 2.196 20 0 AEADHN CC[C@H]1CCCN(Cc2cn[nH]c2)C1 678180097 486924530 /nfs/dbraw/zinc/92/45/30/486924530.db2.gz SSLPCYVGDKTJTB-JTQLQIEISA-N 0 3 193.294 2.032 20 0 AEADHN CC1(C)CCCN(Cc2cn[nH]c2)C1 678184379 486924743 /nfs/dbraw/zinc/92/47/43/486924743.db2.gz FRZKPTCHIYOBBI-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CC[C@@H]1CCCN(Cc2cn[nH]c2)C1 678180098 486924870 /nfs/dbraw/zinc/92/48/70/486924870.db2.gz SSLPCYVGDKTJTB-SNVBAGLBSA-N 0 3 193.294 2.032 20 0 AEADHN CCOCCN(C)Cc1ccccc1 114227402 486924984 /nfs/dbraw/zinc/92/49/84/486924984.db2.gz KATSCYNVRMCXQP-UHFFFAOYSA-N 0 3 193.290 2.155 20 0 AEADHN CC[C@@H](C)CN(C)Cc1c[nH]nc1C 678172577 486924997 /nfs/dbraw/zinc/92/49/97/486924997.db2.gz FGKOQYMBXCDQOA-SECBINFHSA-N 0 3 195.310 2.196 20 0 AEADHN COC[C@H](C)N(C)Cc1occc1C 678192644 486925366 /nfs/dbraw/zinc/92/53/66/486925366.db2.gz HRQYPAZGJHNKKA-JTQLQIEISA-N 0 3 197.278 2.055 20 0 AEADHN CCC1CCN(Cc2cn[nH]c2)CC1 678195429 486925431 /nfs/dbraw/zinc/92/54/31/486925431.db2.gz HANPTCHIXMDPLB-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN COCCCN(C)Cc1occc1C 678216701 486925612 /nfs/dbraw/zinc/92/56/12/486925612.db2.gz XHXGUEBBYOTHJS-UHFFFAOYSA-N 0 3 197.278 2.056 20 0 AEADHN Cc1n[nH]cc1CN(C)CC(C)(C)C 678195285 486925766 /nfs/dbraw/zinc/92/57/66/486925766.db2.gz GBUJYNYHYUGOCC-UHFFFAOYSA-N 0 3 195.310 2.196 20 0 AEADHN COC[C@@H](C)N(C)Cc1occc1C 678192649 486926155 /nfs/dbraw/zinc/92/61/55/486926155.db2.gz HRQYPAZGJHNKKA-SNVBAGLBSA-N 0 3 197.278 2.055 20 0 AEADHN C[C@@H]1CCCN(Cc2cn[nH]c2)[C@@H]1C 678222398 486926723 /nfs/dbraw/zinc/92/67/23/486926723.db2.gz PLONUKZKNGPJSM-NXEZZACHSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@H]1CCCN(Cc2cn[nH]c2)[C@H]1C 678222399 486926920 /nfs/dbraw/zinc/92/69/20/486926920.db2.gz PLONUKZKNGPJSM-UWVGGRQHSA-N 0 3 193.294 2.030 20 0 AEADHN CC1(C)CCN(Cc2cn[nH]c2)CC1 678234571 486926932 /nfs/dbraw/zinc/92/69/32/486926932.db2.gz LZHKIQAXZPSEDX-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN C[C@H]1CCCN(Cc2cn[nH]c2)CC1 678217304 486927015 /nfs/dbraw/zinc/92/70/15/486927015.db2.gz QSMPXDBAQMSPMZ-JTQLQIEISA-N 0 3 193.294 2.032 20 0 AEADHN C[C@@H]1CCCN(Cc2cn[nH]c2)CC1 678217305 486927030 /nfs/dbraw/zinc/92/70/30/486927030.db2.gz QSMPXDBAQMSPMZ-SNVBAGLBSA-N 0 3 193.294 2.032 20 0 AEADHN C[C@H]1CCCN(Cc2cn[nH]c2)[C@@H]1C 678222400 486927095 /nfs/dbraw/zinc/92/70/95/486927095.db2.gz PLONUKZKNGPJSM-VHSXEESVSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@H]1[C@H](C)CCCN1Cc1cn[nH]c1 678222401 486927394 /nfs/dbraw/zinc/92/73/94/486927394.db2.gz PLONUKZKNGPJSM-ZJUUUORDSA-N 0 3 193.294 2.030 20 0 AEADHN CCN(Cc1cc[nH]n1)[C@@H](C)C(C)C 678217680 486927483 /nfs/dbraw/zinc/92/74/83/486927483.db2.gz FSMWYVHSGAOCSY-JTQLQIEISA-N 0 3 195.310 2.276 20 0 AEADHN CCN(Cc1cc[nH]n1)[C@H](C)C(C)C 678217681 486927527 /nfs/dbraw/zinc/92/75/27/486927527.db2.gz FSMWYVHSGAOCSY-SNVBAGLBSA-N 0 3 195.310 2.276 20 0 AEADHN CCC(C)(C)N(C)Cc1c[nH]nc1C 678259319 486927917 /nfs/dbraw/zinc/92/79/17/486927917.db2.gz KRYKZSNPJBJSDM-UHFFFAOYSA-N 0 3 195.310 2.339 20 0 AEADHN CCC(CC)CN(C)Cc1cn[nH]c1 678266012 486928058 /nfs/dbraw/zinc/92/80/58/486928058.db2.gz IGGVNJLKXXPGKG-UHFFFAOYSA-N 0 3 195.310 2.278 20 0 AEADHN CCC(C)(C)N(C)Cc1ccn(C)n1 678259218 486928144 /nfs/dbraw/zinc/92/81/44/486928144.db2.gz GJIFGZWXXXWEGX-UHFFFAOYSA-N 0 3 195.310 2.041 20 0 AEADHN CN(CCc1ccccc1F)C1CC1 118820461 486928457 /nfs/dbraw/zinc/92/84/57/486928457.db2.gz UOWRZIVLQPIEGN-UHFFFAOYSA-N 0 3 193.265 2.462 20 0 AEADHN CCCN(C)Cc1cccc(O)c1 118680882 486928562 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CO[C@H](C)CN(C)[C@H](C)c1ccco1 679851991 486971853 /nfs/dbraw/zinc/97/18/53/486971853.db2.gz WFPPSRSWEMUXKR-NXEZZACHSA-N 0 3 197.278 2.307 20 0 AEADHN CO[C@H](C)CN(C)[C@@H](C)c1ccco1 679851994 486971889 /nfs/dbraw/zinc/97/18/89/486971889.db2.gz WFPPSRSWEMUXKR-ZJUUUORDSA-N 0 3 197.278 2.307 20 0 AEADHN CCN(Cc1ccoc1)C[C@@H](C)OC 679851987 486971956 /nfs/dbraw/zinc/97/19/56/486971956.db2.gz WDKWYMCHFIXYGG-SNVBAGLBSA-N 0 3 197.278 2.136 20 0 AEADHN CO[C@@H](C)CN(C)[C@@H](C)c1ccco1 679851992 486972125 /nfs/dbraw/zinc/97/21/25/486972125.db2.gz WFPPSRSWEMUXKR-UWVGGRQHSA-N 0 3 197.278 2.307 20 0 AEADHN CC[C@@H](C)N1CCN(CC(C)C)CC1 680009991 486977599 /nfs/dbraw/zinc/97/75/99/486977599.db2.gz AQEJBIHUZLMVPS-GFCCVEGCSA-N 0 3 198.354 2.059 20 0 AEADHN CC[C@H](C)N1CCN(CC(C)C)CC1 680009992 486977791 /nfs/dbraw/zinc/97/77/91/486977791.db2.gz AQEJBIHUZLMVPS-LBPRGKRZSA-N 0 3 198.354 2.059 20 0 AEADHN CC[C@@H](C)N(CC)Cc1cnn(C)c1 680010819 486977812 /nfs/dbraw/zinc/97/78/12/486977812.db2.gz IVFCGHIFSIAOMG-SNVBAGLBSA-N 0 3 195.310 2.041 20 0 AEADHN CC[C@H](C)N(CC)Cc1cnn(C)c1 680010818 486978196 /nfs/dbraw/zinc/97/81/96/486978196.db2.gz IVFCGHIFSIAOMG-JTQLQIEISA-N 0 3 195.310 2.041 20 0 AEADHN COc1cccc(CNC(C)C)c1F 162997285 486984702 /nfs/dbraw/zinc/98/47/02/486984702.db2.gz NYJNWEHZUWUADS-UHFFFAOYSA-N 0 3 197.253 2.332 20 0 AEADHN CCCNCc1cccc(OC)c1F 162997141 486985589 /nfs/dbraw/zinc/98/55/89/486985589.db2.gz VAKQBXWSMUQXKC-UHFFFAOYSA-N 0 3 197.253 2.334 20 0 AEADHN COc1cccc(CNC2CC2)c1F 162997422 486985823 /nfs/dbraw/zinc/98/58/23/486985823.db2.gz JMQQTTHCBNTBKR-UHFFFAOYSA-N 0 3 195.237 2.086 20 0 AEADHN CCN(CCC1CC1)Cc1ccno1 680635814 486990409 /nfs/dbraw/zinc/99/04/09/486990409.db2.gz GNVBLZAZWUQQMP-UHFFFAOYSA-N 0 3 194.278 2.297 20 0 AEADHN CCN(CCC1CC1)Cc1cn[nH]c1 680650535 486990631 /nfs/dbraw/zinc/99/06/31/486990631.db2.gz XVQSJLFHCOGLTP-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN Cc1cnc(CN[C@@H](C)C2CC2)s1 165387511 486991222 /nfs/dbraw/zinc/99/12/22/486991222.db2.gz BQUNGCONRNAHIR-QMMMGPOBSA-N 0 3 196.319 2.340 20 0 AEADHN Cc1cnc(CN[C@H](C)C2CC2)s1 165387633 486991656 /nfs/dbraw/zinc/99/16/56/486991656.db2.gz BQUNGCONRNAHIR-MRVPVSSYSA-N 0 3 196.319 2.340 20 0 AEADHN Nc1cccc(CN2CC=CCC2)c1 166120887 486994339 /nfs/dbraw/zinc/99/43/39/486994339.db2.gz RUNBZTBRIUYSED-UHFFFAOYSA-N 0 3 188.274 2.031 20 0 AEADHN COCCN(C)[C@@H](C)c1ccccc1 680866351 486994709 /nfs/dbraw/zinc/99/47/09/486994709.db2.gz DXROUCSSYXWGKT-NSHDSACASA-N 0 3 193.290 2.326 20 0 AEADHN CCN(CCOC)Cc1cccs1 680872575 486995407 /nfs/dbraw/zinc/99/54/07/486995407.db2.gz ZAKYXNIBFRXQRV-UHFFFAOYSA-N 0 3 199.319 2.216 20 0 AEADHN COCCN(C)[C@H](C)c1ccccc1 680866350 486995602 /nfs/dbraw/zinc/99/56/02/486995602.db2.gz DXROUCSSYXWGKT-LLVKDONJSA-N 0 3 193.290 2.326 20 0 AEADHN CO[C@@H](C)CN[C@@H](C)c1cccs1 167007502 486996997 /nfs/dbraw/zinc/99/69/97/486996997.db2.gz XLIRUGQQLVIESA-IUCAKERBSA-N 0 3 199.319 2.434 20 0 AEADHN CO[C@@H](C)CN[C@@H](C)c1ccc(C)o1 167024914 486997088 /nfs/dbraw/zinc/99/70/88/486997088.db2.gz FFDQZAVHHMEWPE-UWVGGRQHSA-N 0 3 197.278 2.274 20 0 AEADHN CO[C@@H](C)CNCc1cccc(C)c1 167015779 486997148 /nfs/dbraw/zinc/99/71/48/486997148.db2.gz ISATWFJATPEXJB-NSHDSACASA-N 0 3 193.290 2.120 20 0 AEADHN CO[C@@H](C)CN[C@H](C)c1ccc(C)o1 167024810 486997190 /nfs/dbraw/zinc/99/71/90/486997190.db2.gz FFDQZAVHHMEWPE-VHSXEESVSA-N 0 3 197.278 2.274 20 0 AEADHN CO[C@@H](C)CN[C@H](C)c1cccs1 167007730 486997239 /nfs/dbraw/zinc/99/72/39/486997239.db2.gz XLIRUGQQLVIESA-DTWKUNHWSA-N 0 3 199.319 2.434 20 0 AEADHN CO[C@H](C)CN[C@@H](C)c1ccc(C)o1 167024715 486997294 /nfs/dbraw/zinc/99/72/94/486997294.db2.gz FFDQZAVHHMEWPE-ZJUUUORDSA-N 0 3 197.278 2.274 20 0 AEADHN CO[C@H](C)CN[C@H](C)c1ccc(C)o1 167024606 486997315 /nfs/dbraw/zinc/99/73/15/486997315.db2.gz FFDQZAVHHMEWPE-NXEZZACHSA-N 0 3 197.278 2.274 20 0 AEADHN CO[C@H](C)CN[C@@H](C)c1cccs1 167007617 486997379 /nfs/dbraw/zinc/99/73/79/486997379.db2.gz XLIRUGQQLVIESA-BDAKNGLRSA-N 0 3 199.319 2.434 20 0 AEADHN CO[C@H](C)CNCc1cccc(C)c1 167015690 486997424 /nfs/dbraw/zinc/99/74/24/486997424.db2.gz ISATWFJATPEXJB-LLVKDONJSA-N 0 3 193.290 2.120 20 0 AEADHN CO[C@H](C)CN[C@H](C)c1cccs1 167007845 486997505 /nfs/dbraw/zinc/99/75/05/486997505.db2.gz XLIRUGQQLVIESA-RKDXNWHRSA-N 0 3 199.319 2.434 20 0 AEADHN CO[C@H](C)CN[C@H](C)c1ccsc1 167067378 486998006 /nfs/dbraw/zinc/99/80/06/486998006.db2.gz QXWCPKAAARYJIX-RKDXNWHRSA-N 0 3 199.319 2.434 20 0 AEADHN CO[C@H](C)CN[C@@H](C)c1ccsc1 167067222 486998162 /nfs/dbraw/zinc/99/81/62/486998162.db2.gz QXWCPKAAARYJIX-BDAKNGLRSA-N 0 3 199.319 2.434 20 0 AEADHN CO[C@@H](C)CN[C@@H](C)c1ccsc1 167067144 486998232 /nfs/dbraw/zinc/99/82/32/486998232.db2.gz QXWCPKAAARYJIX-IUCAKERBSA-N 0 3 199.319 2.434 20 0 AEADHN CO[C@@H](C)CN[C@H](C)c1ccsc1 167067292 486998398 /nfs/dbraw/zinc/99/83/98/486998398.db2.gz QXWCPKAAARYJIX-DTWKUNHWSA-N 0 3 199.319 2.434 20 0 AEADHN COCCN(C)[C@@H](C)c1cccs1 680940902 487001200 /nfs/dbraw/zinc/00/12/00/487001200.db2.gz LMDBFPWFPRVGPY-VIFPVBQESA-N 0 3 199.319 2.387 20 0 AEADHN COCCN(C)[C@H](C)c1cccs1 680940901 487001323 /nfs/dbraw/zinc/00/13/23/487001323.db2.gz LMDBFPWFPRVGPY-SECBINFHSA-N 0 3 199.319 2.387 20 0 AEADHN CC/C=C/CCN1C[C@H](C)O[C@H](C)C1 681019196 487004462 /nfs/dbraw/zinc/00/44/62/487004462.db2.gz LRMSCQWBOWMZMF-MTJJXUSZSA-N 0 3 197.322 2.452 20 0 AEADHN CC/C=C\CCN1C[C@H](C)OC[C@@H]1C 681019083 487004501 /nfs/dbraw/zinc/00/45/01/487004501.db2.gz QQRPIVKGEXOQMO-YGABWQLJSA-N 0 3 197.322 2.452 20 0 AEADHN CC/C=C\CCN1C[C@H](C)O[C@H](C)C1 681019195 487004604 /nfs/dbraw/zinc/00/46/04/487004604.db2.gz LRMSCQWBOWMZMF-DLXAAPBESA-N 0 3 197.322 2.452 20 0 AEADHN CC/C=C/CCN1C[C@H](C)OC[C@H]1C 681019079 487004630 /nfs/dbraw/zinc/00/46/30/487004630.db2.gz QQRPIVKGEXOQMO-AIIUZBJTSA-N 0 3 197.322 2.452 20 0 AEADHN CC/C=C/CCN1C[C@H](C)OC[C@@H]1C 681019082 487004724 /nfs/dbraw/zinc/00/47/24/487004724.db2.gz QQRPIVKGEXOQMO-WTIVYXKASA-N 0 3 197.322 2.452 20 0 AEADHN CC/C=C\CCN1C[C@H](C)OC[C@H]1C 681019080 487004747 /nfs/dbraw/zinc/00/47/47/487004747.db2.gz QQRPIVKGEXOQMO-DUVUQDDDSA-N 0 3 197.322 2.452 20 0 AEADHN CCCCN(C)[C@@H](C)c1cnccn1 681020102 487004992 /nfs/dbraw/zinc/00/49/92/487004992.db2.gz XHIKRDYLCAZMMJ-JTQLQIEISA-N 0 3 193.294 2.270 20 0 AEADHN CCCN(CC)[C@@H](C)c1cnccn1 681021425 487005306 /nfs/dbraw/zinc/00/53/06/487005306.db2.gz NJJYFTHAPPTYBW-JTQLQIEISA-N 0 3 193.294 2.270 20 0 AEADHN CC/C=C/CCN1CCO[C@H](C)[C@H]1C 681023246 487005321 /nfs/dbraw/zinc/00/53/21/487005321.db2.gz ZGERKJFNLZKTFB-IEVRTODYSA-N 0 3 197.322 2.452 20 0 AEADHN CCCN(CC)[C@H](C)c1cnccn1 681021426 487005353 /nfs/dbraw/zinc/00/53/53/487005353.db2.gz NJJYFTHAPPTYBW-SNVBAGLBSA-N 0 3 193.294 2.270 20 0 AEADHN CCCCN(C)[C@H](C)c1cnccn1 681020104 487005435 /nfs/dbraw/zinc/00/54/35/487005435.db2.gz XHIKRDYLCAZMMJ-SNVBAGLBSA-N 0 3 193.294 2.270 20 0 AEADHN CC/C=C/CCN1CCO[C@H](C)[C@@H]1C 681023244 487005548 /nfs/dbraw/zinc/00/55/48/487005548.db2.gz ZGERKJFNLZKTFB-CYLBZQBVSA-N 0 3 197.322 2.452 20 0 AEADHN CC(C)CN(C)[C@@H](C)c1cnccn1 681021119 487005643 /nfs/dbraw/zinc/00/56/43/487005643.db2.gz IEJFEXMWBRWJTF-JTQLQIEISA-N 0 3 193.294 2.125 20 0 AEADHN CC/C=C\CCN1CCOC[C@H]1CC 681020846 487005767 /nfs/dbraw/zinc/00/57/67/487005767.db2.gz KTEHDYVVKRKYIA-FOQNGQEVSA-N 0 3 197.322 2.454 20 0 AEADHN CC/C=C/CCN1CCOC[C@@H]1CC 681020847 487005814 /nfs/dbraw/zinc/00/58/14/487005814.db2.gz KTEHDYVVKRKYIA-FYJFLYSWSA-N 0 3 197.322 2.454 20 0 AEADHN CC/C=C\CCN1CCOC[C@@H]1CC 681020845 487005872 /nfs/dbraw/zinc/00/58/72/487005872.db2.gz KTEHDYVVKRKYIA-FJOGCWAESA-N 0 3 197.322 2.454 20 0 AEADHN CC/C=C/CCN1CCOC[C@H]1CC 681020844 487005907 /nfs/dbraw/zinc/00/59/07/487005907.db2.gz KTEHDYVVKRKYIA-BTDICHCPSA-N 0 3 197.322 2.454 20 0 AEADHN CC/C=C\CCN1CCO[C@H](C)[C@H]1C 681023245 487005964 /nfs/dbraw/zinc/00/59/64/487005964.db2.gz ZGERKJFNLZKTFB-GKKDLHFNSA-N 0 3 197.322 2.452 20 0 AEADHN CC/C=C\CCN1CCOC(C)(C)C1 681020264 487006025 /nfs/dbraw/zinc/00/60/25/487006025.db2.gz YTEMBVJANWJXKC-WAYWQWQTSA-N 0 3 197.322 2.454 20 0 AEADHN CC(C)CN(C)[C@H](C)c1cnccn1 681021120 487006096 /nfs/dbraw/zinc/00/60/96/487006096.db2.gz IEJFEXMWBRWJTF-SNVBAGLBSA-N 0 3 193.294 2.125 20 0 AEADHN CC/C=C\CCN1CCO[C@H](C)[C@@H]1C 681023243 487006106 /nfs/dbraw/zinc/00/61/06/487006106.db2.gz ZGERKJFNLZKTFB-ABZJQCSKSA-N 0 3 197.322 2.452 20 0 AEADHN CC/C=C/CCN1CCOC(C)(C)C1 681020263 487006116 /nfs/dbraw/zinc/00/61/16/487006116.db2.gz YTEMBVJANWJXKC-AATRIKPKSA-N 0 3 197.322 2.454 20 0 AEADHN CC/C=C/CCN(C)Cc1cn[nH]c1 681024016 487007046 /nfs/dbraw/zinc/00/70/46/487007046.db2.gz CEXBNDOOQKSVHM-SNAWJCMRSA-N 0 3 193.294 2.198 20 0 AEADHN CC/C=C\CCN(C)Cc1cn[nH]c1 681024014 487007177 /nfs/dbraw/zinc/00/71/77/487007177.db2.gz CEXBNDOOQKSVHM-PLNGDYQASA-N 0 3 193.294 2.198 20 0 AEADHN CCCCN(C)Cc1cncc(F)c1 681083287 487008828 /nfs/dbraw/zinc/00/88/28/487008828.db2.gz ZWYGTUHIPVQMFO-UHFFFAOYSA-N 0 3 196.269 2.453 20 0 AEADHN CCCCN(C)Cc1ccccn1 198907067 487014365 /nfs/dbraw/zinc/01/43/65/487014365.db2.gz VRDKNQKZSVBFQS-UHFFFAOYSA-N 0 3 178.279 2.314 20 0 AEADHN CC(C)(C)CCN1CC[C@@H](F)C1 201939275 487017901 /nfs/dbraw/zinc/01/79/01/487017901.db2.gz VSSPLUWZTWNUKS-SECBINFHSA-N 0 3 173.275 2.466 20 0 AEADHN CC(C)(C)CCN1CC[C@H](F)C1 201939241 487017936 /nfs/dbraw/zinc/01/79/36/487017936.db2.gz VSSPLUWZTWNUKS-VIFPVBQESA-N 0 3 173.275 2.466 20 0 AEADHN Cc1ncsc1CN1CCCCC1 205025355 487019803 /nfs/dbraw/zinc/01/98/03/487019803.db2.gz MYIFACOYRJQYKA-UHFFFAOYSA-N 0 3 196.319 2.437 20 0 AEADHN CC[C@H](C)N1CCN([C@@H](C)CC)CC1 211987069 487022861 /nfs/dbraw/zinc/02/28/61/487022861.db2.gz BWEHNIUSFNUNOL-RYUDHWBXSA-N 0 3 198.354 2.201 20 0 AEADHN CC[C@@H](C)N1CCN([C@H](C)CC)CC1 211987139 487023196 /nfs/dbraw/zinc/02/31/96/487023196.db2.gz BWEHNIUSFNUNOL-VXGBXAGGSA-N 0 3 198.354 2.201 20 0 AEADHN CC1(C)CC[C@H](CN2CC=CCC2)O1 681410710 487023404 /nfs/dbraw/zinc/02/34/04/487023404.db2.gz WDUWTLKHACPNEA-LLVKDONJSA-N 0 3 195.306 2.206 20 0 AEADHN CC1(C)CC[C@@H](CN2CC=CCC2)O1 681410711 487023476 /nfs/dbraw/zinc/02/34/76/487023476.db2.gz WDUWTLKHACPNEA-NSHDSACASA-N 0 3 195.306 2.206 20 0 AEADHN COCC1=CCN(CC=C(C)C)CC1 681472279 487024064 /nfs/dbraw/zinc/02/40/64/487024064.db2.gz PAAZJSOJBHPFEP-UHFFFAOYSA-N 0 3 195.306 2.231 20 0 AEADHN C[C@H](N(C)Cc1c[nH]cn1)C1(C)CC1 681507383 487025054 /nfs/dbraw/zinc/02/50/54/487025054.db2.gz QCYYIPNYLNFTNE-VIFPVBQESA-N 0 3 193.294 2.030 20 0 AEADHN C[C@H](N(C)Cc1cnc[nH]1)C1(C)CC1 681507383 487025056 /nfs/dbraw/zinc/02/50/56/487025056.db2.gz QCYYIPNYLNFTNE-VIFPVBQESA-N 0 3 193.294 2.030 20 0 AEADHN C[C@@H](N(C)Cc1c[nH]cn1)C1(C)CC1 681507382 487025161 /nfs/dbraw/zinc/02/51/61/487025161.db2.gz QCYYIPNYLNFTNE-SECBINFHSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@@H](N(C)Cc1cnc[nH]1)C1(C)CC1 681507382 487025165 /nfs/dbraw/zinc/02/51/65/487025165.db2.gz QCYYIPNYLNFTNE-SECBINFHSA-N 0 3 193.294 2.030 20 0 AEADHN CCCN(Cc1c[nH]cn1)CC1CC1 681508684 487025719 /nfs/dbraw/zinc/02/57/19/487025719.db2.gz XHGRJZDSDNOKLV-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CCN(Cc1c[nH]cn1)C1CCCC1 681508354 487025769 /nfs/dbraw/zinc/02/57/69/487025769.db2.gz OYRFZHUIBGNZKF-UHFFFAOYSA-N 0 3 193.294 2.174 20 0 AEADHN CCN(C)[C@@H](C)c1cnc(C)nc1C 681658623 487028601 /nfs/dbraw/zinc/02/86/01/487028601.db2.gz HNLMJKKAMXOWFM-VIFPVBQESA-N 0 3 193.294 2.106 20 0 AEADHN CCN(C)[C@H](C)c1cnc(C)nc1C 681658622 487028635 /nfs/dbraw/zinc/02/86/35/487028635.db2.gz HNLMJKKAMXOWFM-SECBINFHSA-N 0 3 193.294 2.106 20 0 AEADHN COc1ccc(F)c(CNC(C)C)c1 222588953 487033884 /nfs/dbraw/zinc/03/38/84/487033884.db2.gz VFOVDHKMFXGIQP-UHFFFAOYSA-N 0 3 197.253 2.332 20 0 AEADHN CC(C)CN(C)Cc1cncc(F)c1 681750461 487037143 /nfs/dbraw/zinc/03/71/43/487037143.db2.gz SDBRUPXBSFKPEE-UHFFFAOYSA-N 0 3 196.269 2.309 20 0 AEADHN CCCN(CC)Cc1cncc(F)c1 681749999 487037405 /nfs/dbraw/zinc/03/74/05/487037405.db2.gz TZVXOQBYGVNTIH-UHFFFAOYSA-N 0 3 196.269 2.453 20 0 AEADHN CC[C@H](C)N(C)Cc1cncc(F)c1 681750451 487037570 /nfs/dbraw/zinc/03/75/70/487037570.db2.gz NTDSNQCJQAHDPD-VIFPVBQESA-N 0 3 196.269 2.451 20 0 AEADHN CC[C@@H](C)N(C)Cc1cncc(F)c1 681750450 487037644 /nfs/dbraw/zinc/03/76/44/487037644.db2.gz NTDSNQCJQAHDPD-SECBINFHSA-N 0 3 196.269 2.451 20 0 AEADHN CC(C)CCCN(C)Cc1cn[nH]c1 681754737 487038942 /nfs/dbraw/zinc/03/89/42/487038942.db2.gz JKHDMWOXNGGADA-UHFFFAOYSA-N 0 3 195.310 2.278 20 0 AEADHN CCCC[C@@H](C)N(C)Cc1cn[nH]c1 682070400 487042974 /nfs/dbraw/zinc/04/29/74/487042974.db2.gz CZRBSEOVMTWYEY-SNVBAGLBSA-N 0 3 195.310 2.420 20 0 AEADHN CCCC[C@H](C)N(C)Cc1cn[nH]c1 682070399 487043062 /nfs/dbraw/zinc/04/30/62/487043062.db2.gz CZRBSEOVMTWYEY-JTQLQIEISA-N 0 3 195.310 2.420 20 0 AEADHN CC[C@@]1(C)CN(CC2CCC2)CCO1 682368756 487053859 /nfs/dbraw/zinc/05/38/59/487053859.db2.gz DGJFJKGFVZLSLO-LBPRGKRZSA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@@]1(C)CN(CCC2CC2)CCO1 682368896 487053900 /nfs/dbraw/zinc/05/39/00/487053900.db2.gz LDVKSSSUBFWPGW-LBPRGKRZSA-N 0 3 197.322 2.287 20 0 AEADHN CCN(Cc1cncc(C)c1)C1CC1 682366820 487053942 /nfs/dbraw/zinc/05/39/42/487053942.db2.gz RXXYJMTVSBSLQH-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN Cc1cncc(CN(C)CC(C)C)c1 682367719 487054160 /nfs/dbraw/zinc/05/41/60/487054160.db2.gz VVBFRADXQGYVBL-UHFFFAOYSA-N 0 3 192.306 2.478 20 0 AEADHN CC[C@]1(C)CN(CCC2CC2)CCO1 682368895 487054252 /nfs/dbraw/zinc/05/42/52/487054252.db2.gz LDVKSSSUBFWPGW-GFCCVEGCSA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@]1(C)CN(CC2CCC2)CCO1 682368755 487054411 /nfs/dbraw/zinc/05/44/11/487054411.db2.gz DGJFJKGFVZLSLO-GFCCVEGCSA-N 0 3 197.322 2.287 20 0 AEADHN C[C@H]1C[C@H]1CN(C)Cc1cccnc1 682673078 487065149 /nfs/dbraw/zinc/06/51/49/487065149.db2.gz GKIGODLGCCUCQZ-JQWIXIFHSA-N 0 3 190.290 2.169 20 0 AEADHN C[C@@H]1C[C@H]1CN(C)Cc1cccnc1 682673079 487065219 /nfs/dbraw/zinc/06/52/19/487065219.db2.gz GKIGODLGCCUCQZ-PWSUYJOCSA-N 0 3 190.290 2.169 20 0 AEADHN C[C@H]1C[C@@H]1CN(C)Cc1cccnc1 682673077 487065306 /nfs/dbraw/zinc/06/53/06/487065306.db2.gz GKIGODLGCCUCQZ-CMPLNLGQSA-N 0 3 190.290 2.169 20 0 AEADHN C[C@@H]1C[C@@H]1CN(C)Cc1cccnc1 682673080 487065691 /nfs/dbraw/zinc/06/56/91/487065691.db2.gz GKIGODLGCCUCQZ-ZYHUDNBSSA-N 0 3 190.290 2.169 20 0 AEADHN CO[C@@H](C)[C@H](C)NCc1ccc(C)o1 229380128 487066443 /nfs/dbraw/zinc/06/64/43/487066443.db2.gz DGQRCMAEQNKOGJ-UWVGGRQHSA-N 0 3 197.278 2.101 20 0 AEADHN CO[C@H](C)[C@@H](C)NCc1ccc(C)o1 229380119 487066626 /nfs/dbraw/zinc/06/66/26/487066626.db2.gz DGQRCMAEQNKOGJ-NXEZZACHSA-N 0 3 197.278 2.101 20 0 AEADHN CO[C@@H](C)[C@@H](C)NCc1ccc(C)o1 229380109 487066937 /nfs/dbraw/zinc/06/69/37/487066937.db2.gz DGQRCMAEQNKOGJ-ZJUUUORDSA-N 0 3 197.278 2.101 20 0 AEADHN CO[C@H](C)[C@H](C)NCc1ccc(C)o1 229380135 487066978 /nfs/dbraw/zinc/06/69/78/487066978.db2.gz DGQRCMAEQNKOGJ-VHSXEESVSA-N 0 3 197.278 2.101 20 0 AEADHN Cc1cc(-n2nc(C)cc2C)ccn1 229594762 487067761 /nfs/dbraw/zinc/06/77/61/487067761.db2.gz OXUFHPZPECCAJZ-UHFFFAOYSA-N 0 3 187.246 2.193 20 0 AEADHN CCC[C@H](N)c1cn([C@H](C)CC)nn1 229956283 487069457 /nfs/dbraw/zinc/06/94/57/487069457.db2.gz KIMWAKLPHONUPG-BDAKNGLRSA-N 0 3 196.298 2.049 20 0 AEADHN CCC[C@@H](N)c1cn([C@H](C)CC)nn1 229956279 487070116 /nfs/dbraw/zinc/07/01/16/487070116.db2.gz KIMWAKLPHONUPG-RKDXNWHRSA-N 0 3 196.298 2.049 20 0 AEADHN CCC[C@@H](N)c1cn([C@@H](C)CC)nn1 229956267 487070134 /nfs/dbraw/zinc/07/01/34/487070134.db2.gz KIMWAKLPHONUPG-DTWKUNHWSA-N 0 3 196.298 2.049 20 0 AEADHN CCC[C@H](N)c1cn([C@@H](C)CC)nn1 229956274 487070207 /nfs/dbraw/zinc/07/02/07/487070207.db2.gz KIMWAKLPHONUPG-IUCAKERBSA-N 0 3 196.298 2.049 20 0 AEADHN CCN(Cc1cc(C)ccn1)C1CC1 683002620 487077322 /nfs/dbraw/zinc/07/73/22/487077322.db2.gz DSQQKIXOKSSKCX-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN Cc1ccnc(CN(C)CC(C)C)c1 683005349 487077537 /nfs/dbraw/zinc/07/75/37/487077537.db2.gz USZIJNZTIRJPOO-UHFFFAOYSA-N 0 3 192.306 2.478 20 0 AEADHN Cc1ccnc(CN(C)C2CCC2)c1 683011550 487077619 /nfs/dbraw/zinc/07/76/19/487077619.db2.gz QXICVOQESIOXAQ-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN Cc1ccnc(CN2CCCCC2)c1 683003736 487077719 /nfs/dbraw/zinc/07/77/19/487077719.db2.gz WBHQCSMZXOCGIU-UHFFFAOYSA-N 0 3 190.290 2.376 20 0 AEADHN Cc1ccnc(CN2CCC[C@@H]2C)c1 683011593 487077751 /nfs/dbraw/zinc/07/77/51/487077751.db2.gz GBOMLMXTRCPOET-NSHDSACASA-N 0 3 190.290 2.374 20 0 AEADHN Cc1ccnc(CN2CC[C@H](C)C2)c1 683007068 487077827 /nfs/dbraw/zinc/07/78/27/487077827.db2.gz XTBLELWDLJOJHM-NSHDSACASA-N 0 3 190.290 2.232 20 0 AEADHN Cc1ccnc(CN2CCC[C@H]2C)c1 683011589 487077846 /nfs/dbraw/zinc/07/78/46/487077846.db2.gz GBOMLMXTRCPOET-LLVKDONJSA-N 0 3 190.290 2.374 20 0 AEADHN CCn1ccc(CN(C)CCCF)c1 683031420 487078027 /nfs/dbraw/zinc/07/80/27/487078027.db2.gz VGBSEPMVQXTSNL-UHFFFAOYSA-N 0 3 198.285 2.299 20 0 AEADHN Cc1ccnc(CN2CC[C@@H](C)C2)c1 683007066 487078140 /nfs/dbraw/zinc/07/81/40/487078140.db2.gz XTBLELWDLJOJHM-LLVKDONJSA-N 0 3 190.290 2.232 20 0 AEADHN C[C@H]1COC(C)(C)CN1CCC1CC1 683101776 487078936 /nfs/dbraw/zinc/07/89/36/487078936.db2.gz IDPUQXNGEYUWJR-JTQLQIEISA-N 0 3 197.322 2.286 20 0 AEADHN CC(C)=CCN1CC(C)(C)OC[C@@H]1C 683103769 487079374 /nfs/dbraw/zinc/07/93/74/487079374.db2.gz MCCMLLCPPMDUMH-NSHDSACASA-N 0 3 197.322 2.452 20 0 AEADHN C1=CC[C@@H](CNCc2ccno2)CC1 231884876 487079523 /nfs/dbraw/zinc/07/95/23/487079523.db2.gz ZSLHNDURHNFEMV-SNVBAGLBSA-N 0 3 192.262 2.121 20 0 AEADHN CCCC[C@@H](C)NCc1ccno1 231884309 487079575 /nfs/dbraw/zinc/07/95/75/487079575.db2.gz STSFABNKUQKOML-SECBINFHSA-N 0 3 182.267 2.343 20 0 AEADHN C[C@@H](CC1CCC1)NCc1ccno1 231884638 487079664 /nfs/dbraw/zinc/07/96/64/487079664.db2.gz MCPMPTAVDCNVAI-VIFPVBQESA-N 0 3 194.278 2.343 20 0 AEADHN C[C@H](CC1CCC1)NCc1ccno1 231884640 487079790 /nfs/dbraw/zinc/07/97/90/487079790.db2.gz MCPMPTAVDCNVAI-SECBINFHSA-N 0 3 194.278 2.343 20 0 AEADHN C1=CC[C@H](CNCc2ccno2)CC1 231884879 487079797 /nfs/dbraw/zinc/07/97/97/487079797.db2.gz ZSLHNDURHNFEMV-JTQLQIEISA-N 0 3 192.262 2.121 20 0 AEADHN CCC(CC)CNCc1ccno1 231881903 487079884 /nfs/dbraw/zinc/07/98/84/487079884.db2.gz GIFJYSDDSTZNJJ-UHFFFAOYSA-N 0 3 182.267 2.200 20 0 AEADHN CCCC[C@H](C)NCc1ccno1 231884312 487079892 /nfs/dbraw/zinc/07/98/92/487079892.db2.gz STSFABNKUQKOML-VIFPVBQESA-N 0 3 182.267 2.343 20 0 AEADHN CC(C)(C)CCNCc1ccno1 231882890 487079960 /nfs/dbraw/zinc/07/99/60/487079960.db2.gz YYEPYHQTIWEEGL-UHFFFAOYSA-N 0 3 182.267 2.200 20 0 AEADHN CCC[C@@H]1CN(C[C@H]2C[C@@H]2C)CCO1 683108284 487080166 /nfs/dbraw/zinc/08/01/66/487080166.db2.gz BCBBRHWAGXBEPH-QJPTWQEYSA-N 0 3 197.322 2.143 20 0 AEADHN CC[C@@H]1CO[C@H](C)CN1C[C@H]1C[C@@H]1C 683107985 487080203 /nfs/dbraw/zinc/08/02/03/487080203.db2.gz XXCNOWFTOKWSTQ-IRCOFANPSA-N 0 3 197.322 2.142 20 0 AEADHN CC[C@@H]1CO[C@H](C)CN1C[C@H]1C[C@H]1C 683107984 487080229 /nfs/dbraw/zinc/08/02/29/487080229.db2.gz XXCNOWFTOKWSTQ-DDHJBXDOSA-N 0 3 197.322 2.142 20 0 AEADHN CCC[C@@H]1CN(C[C@H]2C[C@H]2C)CCO1 683108282 487080378 /nfs/dbraw/zinc/08/03/78/487080378.db2.gz BCBBRHWAGXBEPH-IJLUTSLNSA-N 0 3 197.322 2.143 20 0 AEADHN CC[C@@H]1CO[C@H](C)CN1C[C@@H]1C[C@@H]1C 683107986 487080451 /nfs/dbraw/zinc/08/04/51/487080451.db2.gz XXCNOWFTOKWSTQ-WHOHXGKFSA-N 0 3 197.322 2.142 20 0 AEADHN CCC[C@@H]1CN(C[C@@H]2C[C@@H]2C)CCO1 683108290 487080524 /nfs/dbraw/zinc/08/05/24/487080524.db2.gz BCBBRHWAGXBEPH-SDDRHHMPSA-N 0 3 197.322 2.143 20 0 AEADHN CC[C@@H]1CO[C@H](C)CN1C[C@@H]1C[C@H]1C 683107987 487080553 /nfs/dbraw/zinc/08/05/53/487080553.db2.gz XXCNOWFTOKWSTQ-WISYIIOYSA-N 0 3 197.322 2.142 20 0 AEADHN CCC[C@@H]1CN(C[C@@H]2C[C@H]2C)CCO1 683108279 487080587 /nfs/dbraw/zinc/08/05/87/487080587.db2.gz BCBBRHWAGXBEPH-GRYCIOLGSA-N 0 3 197.322 2.143 20 0 AEADHN C[C@H]1C[C@@H]1CN(C)Cc1ccncc1 683109398 487081070 /nfs/dbraw/zinc/08/10/70/487081070.db2.gz DKWVXKWNCZJHFI-CMPLNLGQSA-N 0 3 190.290 2.169 20 0 AEADHN C[C@@H]1C[C@H]1CN(C)Cc1cccn1C 683109663 487081127 /nfs/dbraw/zinc/08/11/27/487081127.db2.gz MKEKESWVYPJKRU-MNOVXSKESA-N 0 3 192.306 2.113 20 0 AEADHN C[C@H]1C[C@@H]1CN1CC(C)(C)OC[C@@H]1C 683109470 487081280 /nfs/dbraw/zinc/08/12/80/487081280.db2.gz RJFAFRWTJUNWOZ-GARJFASQSA-N 0 3 197.322 2.142 20 0 AEADHN C[C@@H]1C[C@@H]1CN(C)Cc1ccncc1 683109401 487081322 /nfs/dbraw/zinc/08/13/22/487081322.db2.gz DKWVXKWNCZJHFI-ZYHUDNBSSA-N 0 3 190.290 2.169 20 0 AEADHN C[C@H]1C[C@@H]1CN(C)Cc1cccn1C 683109667 487081327 /nfs/dbraw/zinc/08/13/27/487081327.db2.gz MKEKESWVYPJKRU-WDEREUQCSA-N 0 3 192.306 2.113 20 0 AEADHN C[C@H]1C[C@H]1CN(C)Cc1cccn1C 683109665 487081293 /nfs/dbraw/zinc/08/12/93/487081293.db2.gz MKEKESWVYPJKRU-QWRGUYRKSA-N 0 3 192.306 2.113 20 0 AEADHN C[C@@H]1C[C@H]1CN(C)Cc1ccncc1 683109400 487081406 /nfs/dbraw/zinc/08/14/06/487081406.db2.gz DKWVXKWNCZJHFI-PWSUYJOCSA-N 0 3 190.290 2.169 20 0 AEADHN C[C@H]1C[C@H]1CN(C)Cc1ccncc1 683109399 487081423 /nfs/dbraw/zinc/08/14/23/487081423.db2.gz DKWVXKWNCZJHFI-JQWIXIFHSA-N 0 3 190.290 2.169 20 0 AEADHN C[C@H]1C[C@H]1CN1CC(C)(C)OC[C@@H]1C 683109468 487081590 /nfs/dbraw/zinc/08/15/90/487081590.db2.gz RJFAFRWTJUNWOZ-DCAQKATOSA-N 0 3 197.322 2.142 20 0 AEADHN C[C@H]1COC(C)(C)CN1C[C@@H]1C[C@H]1C 683109473 487081635 /nfs/dbraw/zinc/08/16/35/487081635.db2.gz RJFAFRWTJUNWOZ-VWYCJHECSA-N 0 3 197.322 2.142 20 0 AEADHN C[C@H]1COC(C)(C)CN1C[C@H]1C[C@H]1C 683109471 487081656 /nfs/dbraw/zinc/08/16/56/487081656.db2.gz RJFAFRWTJUNWOZ-OUAUKWLOSA-N 0 3 197.322 2.142 20 0 AEADHN C[C@@H]1C[C@@H]1CN(C)Cc1cccn1C 683109651 487081736 /nfs/dbraw/zinc/08/17/36/487081736.db2.gz MKEKESWVYPJKRU-GHMZBOCLSA-N 0 3 192.306 2.113 20 0 AEADHN CC[C@]1(C)CN(C[C@@H]2C[C@@H]2C)CCO1 683111040 487082342 /nfs/dbraw/zinc/08/23/42/487082342.db2.gz QABQEFAJFHRIAS-SDDRHHMPSA-N 0 3 197.322 2.143 20 0 AEADHN CC[C@]1(C)CN(C[C@@H]2C[C@H]2C)CCO1 683110874 487082589 /nfs/dbraw/zinc/08/25/89/487082589.db2.gz QABQEFAJFHRIAS-GRYCIOLGSA-N 0 3 197.322 2.143 20 0 AEADHN CC[C@]1(C)CN(C[C@H]2C[C@@H]2C)CCO1 683111038 487082987 /nfs/dbraw/zinc/08/29/87/487082987.db2.gz QABQEFAJFHRIAS-QJPTWQEYSA-N 0 3 197.322 2.143 20 0 AEADHN CC[C@]1(C)CN(C[C@H]2C[C@H]2C)CCO1 683110875 487083071 /nfs/dbraw/zinc/08/30/71/487083071.db2.gz QABQEFAJFHRIAS-IJLUTSLNSA-N 0 3 197.322 2.143 20 0 AEADHN C/C=C/CNCc1ccc(O)cc1 232464749 487083380 /nfs/dbraw/zinc/08/33/80/487083380.db2.gz ACIMRZDAOWJUGS-NSCUHMNNSA-N 0 3 177.247 2.058 20 0 AEADHN C[C@H]1C[C@H]1CN1C[C@@H](C)OC(C)(C)C1 683111895 487083640 /nfs/dbraw/zinc/08/36/40/487083640.db2.gz VXOODHRLVOMVSH-AXFHLTTASA-N 0 3 197.322 2.142 20 0 AEADHN C[C@@H]1C[C@H]1CN(C)Cc1ccccn1 683111236 487083710 /nfs/dbraw/zinc/08/37/10/487083710.db2.gz RWNALZDHBHPGOS-MNOVXSKESA-N 0 3 190.290 2.169 20 0 AEADHN C[C@@H]1CN(C[C@H]2C[C@H]2C)CC(C)(C)O1 683111896 487083723 /nfs/dbraw/zinc/08/37/23/487083723.db2.gz VXOODHRLVOMVSH-GMTAPVOTSA-N 0 3 197.322 2.142 20 0 AEADHN C[C@H]1C[C@@H]1CN(C)Cc1ccccn1 683111240 487083752 /nfs/dbraw/zinc/08/37/52/487083752.db2.gz RWNALZDHBHPGOS-WDEREUQCSA-N 0 3 190.290 2.169 20 0 AEADHN C[C@@H]1CN(C[C@@H]2C[C@H]2C)CC(C)(C)O1 683111898 487083985 /nfs/dbraw/zinc/08/39/85/487083985.db2.gz VXOODHRLVOMVSH-MXWKQRLJSA-N 0 3 197.322 2.142 20 0 AEADHN C[C@@H]1C[C@@H]1CN(C)Cc1ccccn1 683111233 487084279 /nfs/dbraw/zinc/08/42/79/487084279.db2.gz RWNALZDHBHPGOS-GHMZBOCLSA-N 0 3 190.290 2.169 20 0 AEADHN CC(C)=CCNCc1ccncc1C 232618230 487084477 /nfs/dbraw/zinc/08/44/77/487084477.db2.gz DDURWLOZYBQRAH-UHFFFAOYSA-N 0 3 190.290 2.446 20 0 AEADHN C[C@H]1C[C@H]1CN(C)Cc1ccccn1 683111238 487084539 /nfs/dbraw/zinc/08/45/39/487084539.db2.gz RWNALZDHBHPGOS-QWRGUYRKSA-N 0 3 190.290 2.169 20 0 AEADHN C[C@H]1C[C@@H]1CN1C[C@@H](C)OC(C)(C)C1 683111897 487084550 /nfs/dbraw/zinc/08/45/50/487084550.db2.gz VXOODHRLVOMVSH-HBNTYKKESA-N 0 3 197.322 2.142 20 0 AEADHN C[C@@H]1COCCN1CC1CCCCC1 683527794 487092722 /nfs/dbraw/zinc/09/27/22/487092722.db2.gz MJVXLTXNZWEUAA-LLVKDONJSA-N 0 3 197.322 2.287 20 0 AEADHN C[C@H]1CN(CC2(C)CCC2)C[C@@H](C)O1 683694689 487093247 /nfs/dbraw/zinc/09/32/47/487093247.db2.gz CWDQTBNDGIMTDF-PHIMTYICSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@@](C)(CNCc1ccco1)OC 233958879 487093711 /nfs/dbraw/zinc/09/37/11/487093711.db2.gz YBEWTGZDWDSDEB-NSHDSACASA-N 0 3 197.278 2.184 20 0 AEADHN C[C@@H]1COCCN1CCC1CCCC1 683528221 487093695 /nfs/dbraw/zinc/09/36/95/487093695.db2.gz ZDRTXZRHEPHDCH-LLVKDONJSA-N 0 3 197.322 2.287 20 0 AEADHN C=Cn1cc(CN(C)CCCC)cn1 683696118 487093883 /nfs/dbraw/zinc/09/38/83/487093883.db2.gz DJVFXYDVBQEOMW-UHFFFAOYSA-N 0 3 193.294 2.216 20 0 AEADHN C=Cn1cc(CN(CC)CCC)cn1 683695462 487094017 /nfs/dbraw/zinc/09/40/17/487094017.db2.gz UAKCNPAHBYEFOF-UHFFFAOYSA-N 0 3 193.294 2.216 20 0 AEADHN C=Cn1cc(CN(C)[C@H](C)CC)cn1 683696358 487094384 /nfs/dbraw/zinc/09/43/84/487094384.db2.gz NDJZVIYNKZDMEV-SNVBAGLBSA-N 0 3 193.294 2.214 20 0 AEADHN CC[C@](C)(CNCc1ccco1)OC 234099000 487094388 /nfs/dbraw/zinc/09/43/88/487094388.db2.gz YBEWTGZDWDSDEB-LLVKDONJSA-N 0 3 197.278 2.184 20 0 AEADHN CC[C@@H]1COCCN1CC1(C)CCC1 683697008 487094401 /nfs/dbraw/zinc/09/44/01/487094401.db2.gz WQPDXXUYYKBZLF-LLVKDONJSA-N 0 3 197.322 2.287 20 0 AEADHN C=Cn1cc(CN(C)[C@@H](C)CC)cn1 683696357 487094582 /nfs/dbraw/zinc/09/45/82/487094582.db2.gz NDJZVIYNKZDMEV-JTQLQIEISA-N 0 3 193.294 2.214 20 0 AEADHN C=Cn1cc(CN(C)CC(C)C)cn1 683696589 487094829 /nfs/dbraw/zinc/09/48/29/487094829.db2.gz RDACAVACOXLZED-UHFFFAOYSA-N 0 3 193.294 2.071 20 0 AEADHN CC[C@H]1COCCN1CC1(C)CCC1 683697009 487095146 /nfs/dbraw/zinc/09/51/46/487095146.db2.gz WQPDXXUYYKBZLF-NSHDSACASA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@H]1CO[C@@H](C)CN1CC1(C)CC1 683822808 487098902 /nfs/dbraw/zinc/09/89/02/487098902.db2.gz OIGOZUGTDXOGOR-QWRGUYRKSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@@H]1CO[C@H](C)CN1CC1(C)CC1 683822805 487098939 /nfs/dbraw/zinc/09/89/39/487098939.db2.gz OIGOZUGTDXOGOR-GHMZBOCLSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@@H]1CO[C@@H](C)CN1CC1(C)CC1 683822809 487099012 /nfs/dbraw/zinc/09/90/12/487099012.db2.gz OIGOZUGTDXOGOR-WDEREUQCSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@H]1CO[C@H](C)CN1CC1(C)CC1 683822806 487099203 /nfs/dbraw/zinc/09/92/03/487099203.db2.gz OIGOZUGTDXOGOR-MNOVXSKESA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@@H]1CN(CC2(C)CC2)C[C@H](C)O1 683828003 487099709 /nfs/dbraw/zinc/09/97/09/487099709.db2.gz SPUIEDLZZFMZAM-WDEREUQCSA-N 0 3 197.322 2.286 20 0 AEADHN CCC[C@@H]1CN(CC2(C)CC2)CCO1 683830888 487099875 /nfs/dbraw/zinc/09/98/75/487099875.db2.gz ZIUKJERTNYIZHQ-LLVKDONJSA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@H]1CN(CC2(C)CC2)C[C@@H](C)O1 683828001 487100037 /nfs/dbraw/zinc/10/00/37/487100037.db2.gz SPUIEDLZZFMZAM-MNOVXSKESA-N 0 3 197.322 2.286 20 0 AEADHN CCC[C@H]1CN(CC2(C)CC2)CCO1 683830889 487100249 /nfs/dbraw/zinc/10/02/49/487100249.db2.gz ZIUKJERTNYIZHQ-NSHDSACASA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@H]1CN(CC2(C)CC2)C[C@H](C)O1 683828002 487100404 /nfs/dbraw/zinc/10/04/04/487100404.db2.gz SPUIEDLZZFMZAM-QWRGUYRKSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1CN(CC2(C)CC2)CC(C)(C)O1 683827250 487100465 /nfs/dbraw/zinc/10/04/65/487100465.db2.gz BOIUDNRJQFWGBC-JTQLQIEISA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@@H]1CN(CC2(C)CC2)C[C@@H](C)O1 683827999 487100477 /nfs/dbraw/zinc/10/04/77/487100477.db2.gz SPUIEDLZZFMZAM-GHMZBOCLSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@@H]1CN(CC2(C)CC2)CC(C)(C)O1 683827251 487100535 /nfs/dbraw/zinc/10/05/35/487100535.db2.gz BOIUDNRJQFWGBC-SNVBAGLBSA-N 0 3 197.322 2.286 20 0 AEADHN CN(Cc1ccccn1)CC1(C)CC1 683837728 487100819 /nfs/dbraw/zinc/10/08/19/487100819.db2.gz PVHLCJNKPBLDNE-UHFFFAOYSA-N 0 3 190.290 2.314 20 0 AEADHN CN(Cc1cccnc1)CC1(C)CC1 683837032 487100873 /nfs/dbraw/zinc/10/08/73/487100873.db2.gz ZLCDUZHZIHVRCA-UHFFFAOYSA-N 0 3 190.290 2.314 20 0 AEADHN CC[C@@]1(C)CN(CC2(C)CC2)CCO1 683840187 487101130 /nfs/dbraw/zinc/10/11/30/487101130.db2.gz SLRADRSQTWWQIO-LBPRGKRZSA-N 0 3 197.322 2.287 20 0 AEADHN CC1(CN2CCOC3(CCC3)C2)CC1 683831247 487101269 /nfs/dbraw/zinc/10/12/69/487101269.db2.gz OZLZSDWJQULLQI-UHFFFAOYSA-N 0 3 195.306 2.041 20 0 AEADHN CN(Cc1cccn1C)CC1(C)CC1 683831296 487101382 /nfs/dbraw/zinc/10/13/82/487101382.db2.gz QSLVMNWXCXXGCX-UHFFFAOYSA-N 0 3 192.306 2.257 20 0 AEADHN CC(C)[C@@H]1CN(CC2(C)CC2)CCO1 683835423 487101508 /nfs/dbraw/zinc/10/15/08/487101508.db2.gz SPAKWGSIEGLPAZ-NSHDSACASA-N 0 3 197.322 2.143 20 0 AEADHN CN(Cc1ccncc1)CC1(C)CC1 683837338 487101593 /nfs/dbraw/zinc/10/15/93/487101593.db2.gz BSEXOBDAVXWQCI-UHFFFAOYSA-N 0 3 190.290 2.314 20 0 AEADHN CC(C)[C@H]1CN(CC2(C)CC2)CCO1 683835420 487101847 /nfs/dbraw/zinc/10/18/47/487101847.db2.gz SPAKWGSIEGLPAZ-LLVKDONJSA-N 0 3 197.322 2.143 20 0 AEADHN CC[C@]1(C)CN(CC2(C)CC2)CCO1 683840185 487101883 /nfs/dbraw/zinc/10/18/83/487101883.db2.gz SLRADRSQTWWQIO-GFCCVEGCSA-N 0 3 197.322 2.287 20 0 AEADHN C[C@@H](O)CN(C)[C@H](C)c1cccs1 235251552 487102105 /nfs/dbraw/zinc/10/21/05/487102105.db2.gz FMORTZIVSAPGAM-RKDXNWHRSA-N 0 3 199.319 2.122 20 0 AEADHN CCCN(CCC)Cc1cn(C)cn1 683898592 487103826 /nfs/dbraw/zinc/10/38/26/487103826.db2.gz NLKCWWAFMBEMAV-UHFFFAOYSA-N 0 3 195.310 2.042 20 0 AEADHN CC1(O)CN(CC2CCCCCC2)C1 683895739 487103842 /nfs/dbraw/zinc/10/38/42/487103842.db2.gz FBENDTQQNKRCCA-UHFFFAOYSA-N 0 3 197.322 2.023 20 0 AEADHN C[C@H](O)CN(C)[C@H](C)c1cccs1 235549586 487106089 /nfs/dbraw/zinc/10/60/89/487106089.db2.gz FMORTZIVSAPGAM-DTWKUNHWSA-N 0 3 199.319 2.122 20 0 AEADHN Cc1cnc(CNCC2CCC2)s1 235949846 487106927 /nfs/dbraw/zinc/10/69/27/487106927.db2.gz GMANPDNEUUFUDQ-UHFFFAOYSA-N 0 3 196.319 2.341 20 0 AEADHN CC(C)CN1CCO[C@@H](C(C)(C)C)C1 684102850 487107599 /nfs/dbraw/zinc/10/75/99/487107599.db2.gz HXUMGONNXPNJSY-LLVKDONJSA-N 0 3 199.338 2.389 20 0 AEADHN CC(C)CN1CCO[C@H](C(C)(C)C)C1 684102853 487107702 /nfs/dbraw/zinc/10/77/02/487107702.db2.gz HXUMGONNXPNJSY-NSHDSACASA-N 0 3 199.338 2.389 20 0 AEADHN CC(C)CN1C[C@H](C)O[C@H](C2CC2)C1 684206642 487111054 /nfs/dbraw/zinc/11/10/54/487111054.db2.gz LCXCXDWPQVQJBM-JQWIXIFHSA-N 0 3 197.322 2.142 20 0 AEADHN Cc1cc(F)ccc1[C@@H](N)CF 238535322 487109782 /nfs/dbraw/zinc/10/97/82/487109782.db2.gz AETOLWHGNNEUMW-VIFPVBQESA-N 0 3 171.190 2.103 20 0 AEADHN Cc1cc(F)ccc1[C@H](N)CF 238536004 487109876 /nfs/dbraw/zinc/10/98/76/487109876.db2.gz AETOLWHGNNEUMW-SECBINFHSA-N 0 3 171.190 2.103 20 0 AEADHN CC(C)CN1C[C@@H](C)O[C@H](C2CC2)C1 684206643 487110650 /nfs/dbraw/zinc/11/06/50/487110650.db2.gz LCXCXDWPQVQJBM-PWSUYJOCSA-N 0 3 197.322 2.142 20 0 AEADHN CCCCN1C[C@H](C)O[C@@H](C2CC2)C1 684206659 487110695 /nfs/dbraw/zinc/11/06/95/487110695.db2.gz MBSJQVBVRQEYPN-CMPLNLGQSA-N 0 3 197.322 2.286 20 0 AEADHN CCCCN1C[C@H](C)O[C@H](C2CC2)C1 684206660 487110775 /nfs/dbraw/zinc/11/07/75/487110775.db2.gz MBSJQVBVRQEYPN-JQWIXIFHSA-N 0 3 197.322 2.286 20 0 AEADHN CCCCN1C[C@@H](C)O[C@H](C2CC2)C1 684206661 487110872 /nfs/dbraw/zinc/11/08/72/487110872.db2.gz MBSJQVBVRQEYPN-PWSUYJOCSA-N 0 3 197.322 2.286 20 0 AEADHN CC(C)CN1C[C@H](C)O[C@@H](C2CC2)C1 684206641 487110921 /nfs/dbraw/zinc/11/09/21/487110921.db2.gz LCXCXDWPQVQJBM-CMPLNLGQSA-N 0 3 197.322 2.142 20 0 AEADHN CC(C)CN1C[C@H](C2CC2)O[C@H](C)C1 684206644 487111085 /nfs/dbraw/zinc/11/10/85/487111085.db2.gz LCXCXDWPQVQJBM-ZYHUDNBSSA-N 0 3 197.322 2.142 20 0 AEADHN CCCCN1C[C@H](C2CC2)O[C@H](C)C1 684206662 487112395 /nfs/dbraw/zinc/11/23/95/487112395.db2.gz MBSJQVBVRQEYPN-ZYHUDNBSSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@@H]1C[C@@H](C)N1Cc1ccc(O)cc1 684410921 487120375 /nfs/dbraw/zinc/12/03/75/487120375.db2.gz CUTPLWMNBCVBMO-NXEZZACHSA-N 0 3 191.274 2.375 20 0 AEADHN C[C@H]1C[C@@H](C)N1Cc1ccc(O)cc1 684410920 487120496 /nfs/dbraw/zinc/12/04/96/487120496.db2.gz CUTPLWMNBCVBMO-AOOOYVTPSA-N 0 3 191.274 2.375 20 0 AEADHN CC(C)C1CN(Cc2ccn(C)c2)C1 684408047 487120657 /nfs/dbraw/zinc/12/06/57/487120657.db2.gz KVFPQBSOIQCWHF-UHFFFAOYSA-N 0 3 192.306 2.113 20 0 AEADHN C[C@H]1C[C@H](C)N1Cc1ccc(O)cc1 684410922 487120790 /nfs/dbraw/zinc/12/07/90/487120790.db2.gz CUTPLWMNBCVBMO-UWVGGRQHSA-N 0 3 191.274 2.375 20 0 AEADHN CC(C)C1CN(Cc2ccccn2)C1 684409123 487121255 /nfs/dbraw/zinc/12/12/55/487121255.db2.gz YWNKZBYKFRMAGC-UHFFFAOYSA-N 0 3 190.290 2.169 20 0 AEADHN CC(C)C1CN(Cc2cccn2C)C1 684408860 487121309 /nfs/dbraw/zinc/12/13/09/487121309.db2.gz WLIIOILVCFSCKG-UHFFFAOYSA-N 0 3 192.306 2.113 20 0 AEADHN CC(C)C1CN(Cc2cccnc2)C1 684408455 487121347 /nfs/dbraw/zinc/12/13/47/487121347.db2.gz PJQFDGVBNKMKSZ-UHFFFAOYSA-N 0 3 190.290 2.169 20 0 AEADHN CCN(Cc1cc[nH]n1)CC1CCC1 684428963 487121542 /nfs/dbraw/zinc/12/15/42/487121542.db2.gz OORKSLVFNHWZPI-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CCN(Cc1cn[nH]c1)CC1CCC1 684428346 487122018 /nfs/dbraw/zinc/12/20/18/487122018.db2.gz GPGWQZYEUSCEKV-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CC(C)CC[C@@H](O)CN1CC(C)(C)C1 684606226 487124578 /nfs/dbraw/zinc/12/45/78/487124578.db2.gz JDCKNGLOYFETOU-LLVKDONJSA-N 0 3 199.338 2.125 20 0 AEADHN CC(C)CC[C@H](O)CN1CC(C)(C)C1 684606227 487124988 /nfs/dbraw/zinc/12/49/88/487124988.db2.gz JDCKNGLOYFETOU-NSHDSACASA-N 0 3 199.338 2.125 20 0 AEADHN CC(C)C[C@H](C)N(C)Cc1c[nH]cn1 684617376 487125381 /nfs/dbraw/zinc/12/53/81/487125381.db2.gz RMISIBTUVOOQLV-JTQLQIEISA-N 0 3 195.310 2.276 20 0 AEADHN CC(C)C[C@H](C)N(C)Cc1cnc[nH]1 684617376 487125383 /nfs/dbraw/zinc/12/53/83/487125383.db2.gz RMISIBTUVOOQLV-JTQLQIEISA-N 0 3 195.310 2.276 20 0 AEADHN C[C@@H](N(C)Cc1c[nH]cn1)C(C)(C)C 684617006 487125428 /nfs/dbraw/zinc/12/54/28/487125428.db2.gz LXLMUOBNBRUPCQ-SECBINFHSA-N 0 3 195.310 2.276 20 0 AEADHN C[C@@H](N(C)Cc1cnc[nH]1)C(C)(C)C 684617006 487125431 /nfs/dbraw/zinc/12/54/31/487125431.db2.gz LXLMUOBNBRUPCQ-SECBINFHSA-N 0 3 195.310 2.276 20 0 AEADHN CCN(Cc1c[nH]cn1)[C@@H](C)C(C)C 684617956 487125571 /nfs/dbraw/zinc/12/55/71/487125571.db2.gz YJIGMJTTXXYQOU-JTQLQIEISA-N 0 3 195.310 2.276 20 0 AEADHN CC(C)CC[C@@H](O)CN1CC=CCC1 684619759 487125652 /nfs/dbraw/zinc/12/56/52/487125652.db2.gz NTMPCPOZEOEBHI-GFCCVEGCSA-N 0 3 197.322 2.045 20 0 AEADHN CC(C)CC[C@H](O)CN1CC=CCC1 684619760 487125739 /nfs/dbraw/zinc/12/57/39/487125739.db2.gz NTMPCPOZEOEBHI-LBPRGKRZSA-N 0 3 197.322 2.045 20 0 AEADHN CC(C)C[C@@H](C)N(C)Cc1c[nH]cn1 684617377 487125823 /nfs/dbraw/zinc/12/58/23/487125823.db2.gz RMISIBTUVOOQLV-SNVBAGLBSA-N 0 3 195.310 2.276 20 0 AEADHN CC(C)C[C@@H](C)N(C)Cc1cnc[nH]1 684617377 487125825 /nfs/dbraw/zinc/12/58/25/487125825.db2.gz RMISIBTUVOOQLV-SNVBAGLBSA-N 0 3 195.310 2.276 20 0 AEADHN CCCN(Cc1c[nH]cn1)CC(C)C 684617388 487125997 /nfs/dbraw/zinc/12/59/97/487125997.db2.gz RTVQTVJXJKFXKU-UHFFFAOYSA-N 0 3 195.310 2.278 20 0 AEADHN CC[C@H](C)CN(CC)Cc1c[nH]cn1 684618090 487126116 /nfs/dbraw/zinc/12/61/16/487126116.db2.gz JDJWKYGRNVNDNN-JTQLQIEISA-N 0 3 195.310 2.278 20 0 AEADHN CC[C@H](C)CN(CC)Cc1cnc[nH]1 684618090 487126121 /nfs/dbraw/zinc/12/61/21/487126121.db2.gz JDJWKYGRNVNDNN-JTQLQIEISA-N 0 3 195.310 2.278 20 0 AEADHN C[C@H](N(C)Cc1c[nH]cn1)C(C)(C)C 684617016 487126224 /nfs/dbraw/zinc/12/62/24/487126224.db2.gz LXLMUOBNBRUPCQ-VIFPVBQESA-N 0 3 195.310 2.276 20 0 AEADHN C[C@H](N(C)Cc1cnc[nH]1)C(C)(C)C 684617016 487126227 /nfs/dbraw/zinc/12/62/27/487126227.db2.gz LXLMUOBNBRUPCQ-VIFPVBQESA-N 0 3 195.310 2.276 20 0 AEADHN CCN(Cc1c[nH]cn1)[C@H](C)C(C)C 684617958 487126244 /nfs/dbraw/zinc/12/62/44/487126244.db2.gz YJIGMJTTXXYQOU-SNVBAGLBSA-N 0 3 195.310 2.276 20 0 AEADHN CC(C)N(Cc1c[nH]cn1)C1CCC1 684619202 487126268 /nfs/dbraw/zinc/12/62/68/487126268.db2.gz HWLFHXIIXCRZEA-UHFFFAOYSA-N 0 3 193.294 2.173 20 0 AEADHN CC(C)N(Cc1cnc[nH]1)C1CCC1 684619202 487126272 /nfs/dbraw/zinc/12/62/72/487126272.db2.gz HWLFHXIIXCRZEA-UHFFFAOYSA-N 0 3 193.294 2.173 20 0 AEADHN CC[C@@H](C)CN(CC)Cc1c[nH]cn1 684618091 487126449 /nfs/dbraw/zinc/12/64/49/487126449.db2.gz JDJWKYGRNVNDNN-SNVBAGLBSA-N 0 3 195.310 2.278 20 0 AEADHN CC[C@@H](C)CN(CC)Cc1cnc[nH]1 684618091 487126452 /nfs/dbraw/zinc/12/64/52/487126452.db2.gz JDJWKYGRNVNDNN-SNVBAGLBSA-N 0 3 195.310 2.278 20 0 AEADHN CN(Cc1c[nH]cn1)CC1CCCC1 684617159 487126464 /nfs/dbraw/zinc/12/64/64/487126464.db2.gz OKSBNXKNLPZCDN-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CN(Cc1cnc[nH]1)CC1CCCC1 684617159 487126468 /nfs/dbraw/zinc/12/64/68/487126468.db2.gz OKSBNXKNLPZCDN-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CCN(Cc1ccno1)CC1CCC1 684624808 487127210 /nfs/dbraw/zinc/12/72/10/487127210.db2.gz WYVXTZALICFDGA-UHFFFAOYSA-N 0 3 194.278 2.297 20 0 AEADHN CCN(Cc1c[nH]cn1)CC1CCC1 684623806 487127238 /nfs/dbraw/zinc/12/72/38/487127238.db2.gz IDNSFHYYINCCDM-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CCN(Cc1cnc[nH]1)CC1CCC1 684623806 487127243 /nfs/dbraw/zinc/12/72/43/487127243.db2.gz IDNSFHYYINCCDM-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CC(C)CCCN(C)Cc1cnc[nH]1 684620804 487127325 /nfs/dbraw/zinc/12/73/25/487127325.db2.gz ZFOBKMATSOXVEB-UHFFFAOYSA-N 0 3 195.310 2.278 20 0 AEADHN CCCCOCCN1CCC=C(C)C1 684774373 487132052 /nfs/dbraw/zinc/13/20/52/487132052.db2.gz ZIPILDJEHQWWJU-UHFFFAOYSA-N 0 3 197.322 2.455 20 0 AEADHN CC1=CCCN(CCOC(C)(C)C)C1 684773999 487132181 /nfs/dbraw/zinc/13/21/81/487132181.db2.gz OGWCJSUVMKLZOB-UHFFFAOYSA-N 0 3 197.322 2.454 20 0 AEADHN CC1=CCCN(CCOC(C)C)C1 684774212 487132201 /nfs/dbraw/zinc/13/22/01/487132201.db2.gz UPZPUVIVNIAEAV-UHFFFAOYSA-N 0 3 183.295 2.063 20 0 AEADHN CCNCc1nc(CC(C)C)cs1 259214095 487138072 /nfs/dbraw/zinc/13/80/72/487138072.db2.gz LORSKTXNFLNURS-UHFFFAOYSA-N 0 3 198.335 2.451 20 0 AEADHN CC(C)C[C@H](C)CN1CCOC[C@H]1C 685004631 487139725 /nfs/dbraw/zinc/13/97/25/487139725.db2.gz FFHBGMUEPJBDLS-NWDGAFQWSA-N 0 3 199.338 2.389 20 0 AEADHN CC(C)C[C@@H](C)CN1CCOC[C@H]1C 685004633 487139733 /nfs/dbraw/zinc/13/97/33/487139733.db2.gz FFHBGMUEPJBDLS-VXGBXAGGSA-N 0 3 199.338 2.389 20 0 AEADHN CO[C@@H](C)CN(C)Cc1occc1C 685447521 487144462 /nfs/dbraw/zinc/14/44/62/487144462.db2.gz QRYVVORFJKFAHZ-JTQLQIEISA-N 0 3 197.278 2.055 20 0 AEADHN CO[C@H](C)CN(C)Cc1occc1C 685447522 487145205 /nfs/dbraw/zinc/14/52/05/487145205.db2.gz QRYVVORFJKFAHZ-SNVBAGLBSA-N 0 3 197.278 2.055 20 0 AEADHN CCC(CC)N(CC)Cc1cc[nH]n1 685476332 487146463 /nfs/dbraw/zinc/14/64/63/487146463.db2.gz YVCVYFPBKLGAGH-UHFFFAOYSA-N 0 3 195.310 2.420 20 0 AEADHN Cc1nc(C)c(CN2CCC[C@@H]2C)o1 685565591 487146479 /nfs/dbraw/zinc/14/64/79/487146479.db2.gz IUXKDXWYKDLYJX-QMMMGPOBSA-N 0 3 194.278 2.276 20 0 AEADHN Cc1nc(C)c(CN(C)CC2CC2)o1 685561651 487146814 /nfs/dbraw/zinc/14/68/14/487146814.db2.gz YJGHNQXQOJYBLX-UHFFFAOYSA-N 0 3 194.278 2.133 20 0 AEADHN Cc1nc(C)c(CN2CCC[C@H]2C)o1 685565590 487147069 /nfs/dbraw/zinc/14/70/69/487147069.db2.gz IUXKDXWYKDLYJX-MRVPVSSYSA-N 0 3 194.278 2.276 20 0 AEADHN CCCC[C@@H](C)N(C)Cc1c[nH]cn1 685612523 487148606 /nfs/dbraw/zinc/14/86/06/487148606.db2.gz MDWZISQIAHNDFA-SNVBAGLBSA-N 0 3 195.310 2.420 20 0 AEADHN CCCC[C@@H](C)N(C)Cc1cnc[nH]1 685612523 487148610 /nfs/dbraw/zinc/14/86/10/487148610.db2.gz MDWZISQIAHNDFA-SNVBAGLBSA-N 0 3 195.310 2.420 20 0 AEADHN CCCC[C@H](C)N(C)Cc1c[nH]cn1 685612522 487148710 /nfs/dbraw/zinc/14/87/10/487148710.db2.gz MDWZISQIAHNDFA-JTQLQIEISA-N 0 3 195.310 2.420 20 0 AEADHN CCCC[C@H](C)N(C)Cc1cnc[nH]1 685612522 487148713 /nfs/dbraw/zinc/14/87/13/487148713.db2.gz MDWZISQIAHNDFA-JTQLQIEISA-N 0 3 195.310 2.420 20 0 AEADHN Cc1c[nH]nc1CN(C)[C@H](C)C(C)C 685833814 487150298 /nfs/dbraw/zinc/15/02/98/487150298.db2.gz NQUJRHFHJFEPNE-SNVBAGLBSA-N 0 3 195.310 2.194 20 0 AEADHN CCN(Cc1n[nH]cc1C)CC(C)C 685833712 487150411 /nfs/dbraw/zinc/15/04/11/487150411.db2.gz HRPZOGMBNADISI-UHFFFAOYSA-N 0 3 195.310 2.196 20 0 AEADHN Cc1c[nH]nc1CN(C)[C@@H](C)C(C)C 685833813 487150766 /nfs/dbraw/zinc/15/07/66/487150766.db2.gz NQUJRHFHJFEPNE-JTQLQIEISA-N 0 3 195.310 2.194 20 0 AEADHN Cc1occc1CN[C@@H]1CC1(C)C 306314547 487153243 /nfs/dbraw/zinc/15/32/43/487153243.db2.gz YZIOJUHGWIAZGS-SNVBAGLBSA-N 0 3 179.263 2.476 20 0 AEADHN Cc1occc1CN[C@H]1CC1(C)C 306314546 487153298 /nfs/dbraw/zinc/15/32/98/487153298.db2.gz YZIOJUHGWIAZGS-JTQLQIEISA-N 0 3 179.263 2.476 20 0 AEADHN CC[C@H](C)N1CCO[C@@](C)(CC)C1 306461658 487156992 /nfs/dbraw/zinc/15/69/92/487156992.db2.gz GJTFCJZNVAASFC-QWRGUYRKSA-N 0 3 185.311 2.286 20 0 AEADHN CC[C@@H](C)N1CCO[C@@](C)(CC)C1 306461657 487157095 /nfs/dbraw/zinc/15/70/95/487157095.db2.gz GJTFCJZNVAASFC-MNOVXSKESA-N 0 3 185.311 2.286 20 0 AEADHN CC[C@@H](C)N1CCO[C@](C)(CC)C1 306461656 487157128 /nfs/dbraw/zinc/15/71/28/487157128.db2.gz GJTFCJZNVAASFC-GHMZBOCLSA-N 0 3 185.311 2.286 20 0 AEADHN CC[C@H](C)N1CCO[C@](C)(CC)C1 306461659 487157142 /nfs/dbraw/zinc/15/71/42/487157142.db2.gz GJTFCJZNVAASFC-WDEREUQCSA-N 0 3 185.311 2.286 20 0 AEADHN CCc1ncc(CN2CCCC2)s1 306477634 487157822 /nfs/dbraw/zinc/15/78/22/487157822.db2.gz ALSDHVQWKRPFRE-UHFFFAOYSA-N 0 3 196.319 2.301 20 0 AEADHN Cc1nocc1CNC1CC(C)(C)C1 307336592 487179397 /nfs/dbraw/zinc/17/93/97/487179397.db2.gz SDMTUQCXZWLFRJ-UHFFFAOYSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1occc1CNC1CC=CC1 307436081 487181139 /nfs/dbraw/zinc/18/11/39/487181139.db2.gz OVDSDCCBJKAXJK-UHFFFAOYSA-N 0 3 177.247 2.396 20 0 AEADHN Cc1cc([C@@H](C)NCC(C)C)no1 308149918 487195746 /nfs/dbraw/zinc/19/57/46/487195746.db2.gz NWZHSLLSGYSUNA-SECBINFHSA-N 0 3 182.267 2.290 20 0 AEADHN Cc1cc([C@H](C)NCC(C)C)no1 308149919 487195781 /nfs/dbraw/zinc/19/57/81/487195781.db2.gz NWZHSLLSGYSUNA-VIFPVBQESA-N 0 3 182.267 2.290 20 0 AEADHN CC[C@H](C)N[C@H](C)c1cc(C)on1 308476549 487201078 /nfs/dbraw/zinc/20/10/78/487201078.db2.gz MCSHJCDNFPPMOS-IONNQARKSA-N 0 3 182.267 2.432 20 0 AEADHN CC[C@H](C)N[C@@H](C)c1cc(C)on1 308476545 487201422 /nfs/dbraw/zinc/20/14/22/487201422.db2.gz MCSHJCDNFPPMOS-CBAPKCEASA-N 0 3 182.267 2.432 20 0 AEADHN CCCNCc1ccc2c(n1)CCC2 308465536 487201445 /nfs/dbraw/zinc/20/14/45/487201445.db2.gz GDKHGMVXXOSVHO-UHFFFAOYSA-N 0 3 190.290 2.070 20 0 AEADHN CC[C@@H](C)N[C@H](C)c1cc(C)on1 308476553 487201467 /nfs/dbraw/zinc/20/14/67/487201467.db2.gz MCSHJCDNFPPMOS-VXNVDRBHSA-N 0 3 182.267 2.432 20 0 AEADHN CC[C@@H](C)N[C@@H](C)c1cc(C)on1 308476542 487201503 /nfs/dbraw/zinc/20/15/03/487201503.db2.gz MCSHJCDNFPPMOS-APPZFPTMSA-N 0 3 182.267 2.432 20 0 AEADHN CO[C@H](C)[C@@H](C)NCc1ccoc1C 308582796 487203810 /nfs/dbraw/zinc/20/38/10/487203810.db2.gz HGTRLAMOIBJFCZ-RKDXNWHRSA-N 0 3 197.278 2.101 20 0 AEADHN CO[C@@H](C)[C@H](C)NCc1ccoc1C 308582795 487203955 /nfs/dbraw/zinc/20/39/55/487203955.db2.gz HGTRLAMOIBJFCZ-IUCAKERBSA-N 0 3 197.278 2.101 20 0 AEADHN CO[C@@H](C)[C@@H](C)NCc1ccoc1C 308582793 487204151 /nfs/dbraw/zinc/20/41/51/487204151.db2.gz HGTRLAMOIBJFCZ-BDAKNGLRSA-N 0 3 197.278 2.101 20 0 AEADHN CO[C@H](C)[C@H](C)NCc1ccoc1C 308582794 487204208 /nfs/dbraw/zinc/20/42/08/487204208.db2.gz HGTRLAMOIBJFCZ-DTWKUNHWSA-N 0 3 197.278 2.101 20 0 AEADHN Cc1cc([C@@H](C)NCCC2CC2)no1 308601126 487204878 /nfs/dbraw/zinc/20/48/78/487204878.db2.gz ATDVJDXFDINYAT-SECBINFHSA-N 0 3 194.278 2.434 20 0 AEADHN Cc1cc([C@H](C)NCCC2CC2)no1 308601132 487204884 /nfs/dbraw/zinc/20/48/84/487204884.db2.gz ATDVJDXFDINYAT-VIFPVBQESA-N 0 3 194.278 2.434 20 0 AEADHN COCCN[C@@H](C)c1cc(C)c(C)o1 308620207 487205093 /nfs/dbraw/zinc/20/50/93/487205093.db2.gz SUIKCVYQWFZSCV-VIFPVBQESA-N 0 3 197.278 2.193 20 0 AEADHN COCCN[C@H](C)c1cc(C)c(C)o1 308620205 487205262 /nfs/dbraw/zinc/20/52/62/487205262.db2.gz SUIKCVYQWFZSCV-SECBINFHSA-N 0 3 197.278 2.193 20 0 AEADHN Cc1cc([C@@H](C)NCC(C)C)nn1C 308643776 487206104 /nfs/dbraw/zinc/20/61/04/487206104.db2.gz GHZXRMNANNGGCP-SNVBAGLBSA-N 0 3 195.310 2.035 20 0 AEADHN Cc1cc([C@H](C)NCC(C)C)nn1C 308643775 487206278 /nfs/dbraw/zinc/20/62/78/487206278.db2.gz GHZXRMNANNGGCP-JTQLQIEISA-N 0 3 195.310 2.035 20 0 AEADHN CC(C)OC[C@H](C)NCc1ccoc1 308684101 487206754 /nfs/dbraw/zinc/20/67/54/487206754.db2.gz YQLHTMGCVJGFNY-JTQLQIEISA-N 0 3 197.278 2.183 20 0 AEADHN Cc1cc([C@@H](C)NCC2CCC2)no1 308655727 487207003 /nfs/dbraw/zinc/20/70/03/487207003.db2.gz OBKFYAVJVIKULJ-SECBINFHSA-N 0 3 194.278 2.434 20 0 AEADHN Cc1cc([C@H](C)NCC2CCC2)no1 308655733 487207069 /nfs/dbraw/zinc/20/70/69/487207069.db2.gz OBKFYAVJVIKULJ-VIFPVBQESA-N 0 3 194.278 2.434 20 0 AEADHN CC(C)OC[C@@H](C)NCc1ccoc1 308684105 487207184 /nfs/dbraw/zinc/20/71/84/487207184.db2.gz YQLHTMGCVJGFNY-SNVBAGLBSA-N 0 3 197.278 2.183 20 0 AEADHN CC[C@@H](CNCc1ccoc1C)OC 320894689 487210372 /nfs/dbraw/zinc/21/03/72/487210372.db2.gz APEPZWQGDXCLOQ-NSHDSACASA-N 0 3 197.278 2.103 20 0 AEADHN CC[C@H](CNCc1ccoc1C)OC 320894686 487210383 /nfs/dbraw/zinc/21/03/83/487210383.db2.gz APEPZWQGDXCLOQ-LLVKDONJSA-N 0 3 197.278 2.103 20 0 AEADHN Cc1occc1CNCCOC(C)C 321343068 487213171 /nfs/dbraw/zinc/21/31/71/487213171.db2.gz BROSPKFDGXIKIJ-UHFFFAOYSA-N 0 3 197.278 2.103 20 0 AEADHN COC(C)(C)CNCc1ccoc1C 321458794 487213667 /nfs/dbraw/zinc/21/36/67/487213667.db2.gz GHOWXUACEVFFDO-UHFFFAOYSA-N 0 3 197.278 2.103 20 0 AEADHN COCCCCNCc1ccoc1C 321484618 487214046 /nfs/dbraw/zinc/21/40/46/487214046.db2.gz JKKATICTZZAABG-UHFFFAOYSA-N 0 3 197.278 2.104 20 0 AEADHN Cc1occc1CNCCCF 321528310 487214290 /nfs/dbraw/zinc/21/42/90/487214290.db2.gz PCEIWDLYZHJTKE-UHFFFAOYSA-N 0 3 171.215 2.037 20 0 AEADHN CCOCCCNCc1ccoc1C 321507792 487214651 /nfs/dbraw/zinc/21/46/51/487214651.db2.gz MLTGRZPRKPJRTK-UHFFFAOYSA-N 0 3 197.278 2.104 20 0 AEADHN COCC(C)(C)NCc1ccoc1C 321529041 487214672 /nfs/dbraw/zinc/21/46/72/487214672.db2.gz PDDMYTMCPHBNJM-UHFFFAOYSA-N 0 3 197.278 2.103 20 0 AEADHN CO[C@@H](C)CCNCc1ccoc1C 321609228 487215256 /nfs/dbraw/zinc/21/52/56/487215256.db2.gz YZWZHBLRTKRZEJ-VIFPVBQESA-N 0 3 197.278 2.103 20 0 AEADHN CO[C@H](C)CCNCc1ccoc1C 321609226 487215394 /nfs/dbraw/zinc/21/53/94/487215394.db2.gz YZWZHBLRTKRZEJ-SECBINFHSA-N 0 3 197.278 2.103 20 0 AEADHN CC[C@@H](NCc1cc[nH]n1)C1CCC1 322824111 487223104 /nfs/dbraw/zinc/22/31/04/487223104.db2.gz HNQZXYGUOOOEFB-LLVKDONJSA-N 0 3 193.294 2.078 20 0 AEADHN CC[C@H](NCc1cc[nH]n1)C1CCC1 322824114 487223316 /nfs/dbraw/zinc/22/33/16/487223316.db2.gz HNQZXYGUOOOEFB-NSHDSACASA-N 0 3 193.294 2.078 20 0 AEADHN CCc1nocc1CNCCC(C)C 378665060 487233881 /nfs/dbraw/zinc/23/38/81/487233881.db2.gz AHEMJRWNRMWIOB-UHFFFAOYSA-N 0 3 196.294 2.373 20 0 AEADHN CCc1nocc1CNC1CCCC1 378681363 487234455 /nfs/dbraw/zinc/23/44/55/487234455.db2.gz WNTHMAQYDLEIME-UHFFFAOYSA-N 0 3 194.278 2.269 20 0 AEADHN CCc1nocc1CNCC(C)(C)C 378679641 487234697 /nfs/dbraw/zinc/23/46/97/487234697.db2.gz UJGCFVLWEXTZIJ-UHFFFAOYSA-N 0 3 196.294 2.373 20 0 AEADHN CCCCCN1CCOCC12CC2 379373632 487240183 /nfs/dbraw/zinc/24/01/83/487240183.db2.gz LNOLIIXKNYMDBX-UHFFFAOYSA-N 0 3 183.295 2.041 20 0 AEADHN CCOC[C@H](C)NCc1ccoc1C 379566173 487245156 /nfs/dbraw/zinc/24/51/56/487245156.db2.gz CJSYHXNOXRPUEW-VIFPVBQESA-N 0 3 197.278 2.103 20 0 AEADHN FCCNC[C@@H]1C[C@H]1c1ccccc1 379637816 487247162 /nfs/dbraw/zinc/24/71/62/487247162.db2.gz SDNCITIHQASWRR-RYUDHWBXSA-N 0 3 193.265 2.349 20 0 AEADHN CC/C=C\CN[C@@H](C)c1cnn(C)c1 384846774 487253046 /nfs/dbraw/zinc/25/30/46/487253046.db2.gz ASLUAQCXSZMITE-OMMCCPJFSA-N 0 3 193.294 2.037 20 0 AEADHN CC/C=C\CN[C@H](C)c1cnn(C)c1 384846776 487253490 /nfs/dbraw/zinc/25/34/90/487253490.db2.gz ASLUAQCXSZMITE-WWQCOOJYSA-N 0 3 193.294 2.037 20 0 AEADHN CC/C=C/CN[C@H](C)c1cnn(C)c1 384846773 487253501 /nfs/dbraw/zinc/25/35/01/487253501.db2.gz ASLUAQCXSZMITE-BRAIEQGRSA-N 0 3 193.294 2.037 20 0 AEADHN CC/C=C/CN[C@@H](C)c1cnn(C)c1 384846775 487253508 /nfs/dbraw/zinc/25/35/08/487253508.db2.gz ASLUAQCXSZMITE-PORFMDCZSA-N 0 3 193.294 2.037 20 0 AEADHN CC/C=C\CN[C@H](C)c1ccnn1C 384880376 487254147 /nfs/dbraw/zinc/25/41/47/487254147.db2.gz IHDCUKYQLDXYHS-WWQCOOJYSA-N 0 3 193.294 2.037 20 0 AEADHN CC/C=C\CN[C@@H](C)c1ccnn1C 384880374 487254259 /nfs/dbraw/zinc/25/42/59/487254259.db2.gz IHDCUKYQLDXYHS-OMMCCPJFSA-N 0 3 193.294 2.037 20 0 AEADHN CC/C=C/CN[C@@H](C)c1ccnn1C 384880375 487254316 /nfs/dbraw/zinc/25/43/16/487254316.db2.gz IHDCUKYQLDXYHS-PORFMDCZSA-N 0 3 193.294 2.037 20 0 AEADHN CC/C=C/CN[C@H](C)c1ccnn1C 384880373 487254330 /nfs/dbraw/zinc/25/43/30/487254330.db2.gz IHDCUKYQLDXYHS-BRAIEQGRSA-N 0 3 193.294 2.037 20 0 AEADHN COCC[C@H](C)CNCc1ccco1 386397702 487256133 /nfs/dbraw/zinc/25/61/33/487256133.db2.gz UXRWBMDYNIPYSZ-JTQLQIEISA-N 0 3 197.278 2.042 20 0 AEADHN COCC[C@@H](C)CNCc1ccco1 386397703 487256143 /nfs/dbraw/zinc/25/61/43/487256143.db2.gz UXRWBMDYNIPYSZ-SNVBAGLBSA-N 0 3 197.278 2.042 20 0 AEADHN CC[C@H](N[C@@H](C)c1ccco1)[C@@H](C)O 386812313 487256934 /nfs/dbraw/zinc/25/69/34/487256934.db2.gz DVGGANIBIGFAOO-AEJSXWLSSA-N 0 3 197.278 2.090 20 0 AEADHN CC[C@H](N[C@H](C)c1ccco1)[C@H](C)O 386812324 487256985 /nfs/dbraw/zinc/25/69/85/487256985.db2.gz DVGGANIBIGFAOO-UTLUCORTSA-N 0 3 197.278 2.090 20 0 AEADHN CC[C@H](N[C@H](C)c1ccco1)[C@@H](C)O 386812316 487257011 /nfs/dbraw/zinc/25/70/11/487257011.db2.gz DVGGANIBIGFAOO-BBBLOLIVSA-N 0 3 197.278 2.090 20 0 AEADHN CC[C@H](N[C@@H](C)c1ccco1)[C@H](C)O 386812320 487257328 /nfs/dbraw/zinc/25/73/28/487257328.db2.gz DVGGANIBIGFAOO-GUBZILKMSA-N 0 3 197.278 2.090 20 0 AEADHN CCCCN[C@@H](C)c1cc(C)n(C)n1 393681407 487268586 /nfs/dbraw/zinc/26/85/86/487268586.db2.gz DZYCYEGBNHUAFC-JTQLQIEISA-N 0 3 195.310 2.179 20 0 AEADHN C[C@H](CC(C)(C)C)NCc1ncc[nH]1 395004140 487271105 /nfs/dbraw/zinc/27/11/05/487271105.db2.gz GVMLABDWIDMCSE-SECBINFHSA-N 0 3 195.310 2.324 20 0 AEADHN CC[C@@H](C)N[C@H](C)c1cc(C)n(C)n1 389263933 487262897 /nfs/dbraw/zinc/26/28/97/487262897.db2.gz HOXMPGVDIWTWLX-PSASIEDQSA-N 0 3 195.310 2.178 20 0 AEADHN CC[C@@H](C)N[C@@H](C)c1cc(C)n(C)n1 389263934 487262906 /nfs/dbraw/zinc/26/29/06/487262906.db2.gz HOXMPGVDIWTWLX-SCZZXKLOSA-N 0 3 195.310 2.178 20 0 AEADHN CC[C@H](C)N[C@H](C)c1cc(C)n(C)n1 389263935 487262965 /nfs/dbraw/zinc/26/29/65/487262965.db2.gz HOXMPGVDIWTWLX-WCBMZHEXSA-N 0 3 195.310 2.178 20 0 AEADHN CC[C@H](C)N[C@@H](C)c1cc(C)n(C)n1 389263936 487263225 /nfs/dbraw/zinc/26/32/25/487263225.db2.gz HOXMPGVDIWTWLX-WPRPVWTQSA-N 0 3 195.310 2.178 20 0 AEADHN CCCCN[C@H](C)c1cc(C)n(C)n1 393681408 487268011 /nfs/dbraw/zinc/26/80/11/487268011.db2.gz DZYCYEGBNHUAFC-SNVBAGLBSA-N 0 3 195.310 2.179 20 0 AEADHN C[C@@H](CC(C)(C)C)NCc1ncc[nH]1 395004143 487271170 /nfs/dbraw/zinc/27/11/70/487271170.db2.gz GVMLABDWIDMCSE-VIFPVBQESA-N 0 3 195.310 2.324 20 0 AEADHN CC[C@H](N[C@H](C)c1ccoc1)[C@H](C)O 395655137 487272781 /nfs/dbraw/zinc/27/27/81/487272781.db2.gz VAFJJDXWNLCMLG-YWVKMMECSA-N 0 3 197.278 2.090 20 0 AEADHN CC[C@H](N[C@@H](C)c1ccoc1)[C@@H](C)O 395655135 487272833 /nfs/dbraw/zinc/27/28/33/487272833.db2.gz VAFJJDXWNLCMLG-NGZCFLSTSA-N 0 3 197.278 2.090 20 0 AEADHN CC[C@H](N[C@H](C)c1ccoc1)[C@@H](C)O 395655133 487272989 /nfs/dbraw/zinc/27/29/89/487272989.db2.gz VAFJJDXWNLCMLG-KKZNHRDASA-N 0 3 197.278 2.090 20 0 AEADHN CC[C@H](N[C@@H](C)c1ccoc1)[C@H](C)O 395655136 487273164 /nfs/dbraw/zinc/27/31/64/487273164.db2.gz VAFJJDXWNLCMLG-QXEWZRGKSA-N 0 3 197.278 2.090 20 0 AEADHN CC[C@H](NCc1cocn1)[C@H]1C[C@H]1C 397831961 487280375 /nfs/dbraw/zinc/28/03/75/487280375.db2.gz YZGDXOMTPXKTNY-MIMYLULJSA-N 0 3 194.278 2.199 20 0 AEADHN CC[C@H](NCc1cocn1)[C@@H]1C[C@H]1C 397831954 487280397 /nfs/dbraw/zinc/28/03/97/487280397.db2.gz YZGDXOMTPXKTNY-IEBDPFPHSA-N 0 3 194.278 2.199 20 0 AEADHN CC[C@@H](NCc1cnc(C)o1)C1CC1 397882453 487280422 /nfs/dbraw/zinc/28/04/22/487280422.db2.gz BLGKEQAMIGJOHK-LLVKDONJSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncc(CN[C@@H](C)C(C)C)o1 397886347 487280485 /nfs/dbraw/zinc/28/04/85/487280485.db2.gz DGWXILMDNLSWHA-QMMMGPOBSA-N 0 3 182.267 2.117 20 0 AEADHN CC[C@H](NCc1cocn1)[C@@H]1C[C@@H]1C 397831950 487280547 /nfs/dbraw/zinc/28/05/47/487280547.db2.gz YZGDXOMTPXKTNY-GDPRMGEGSA-N 0 3 194.278 2.199 20 0 AEADHN Cc1ncc(CN[C@H](C)C2CCC2)o1 397865114 487280588 /nfs/dbraw/zinc/28/05/88/487280588.db2.gz GAZBHZQWHCGUGS-MRVPVSSYSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncc(CN[C@@H](C)C2CCC2)o1 397865116 487280716 /nfs/dbraw/zinc/28/07/16/487280716.db2.gz GAZBHZQWHCGUGS-QMMMGPOBSA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@H](NCc1cocn1)[C@H]1C[C@@H]1C 397831957 487280725 /nfs/dbraw/zinc/28/07/25/487280725.db2.gz YZGDXOMTPXKTNY-LSJOCFKGSA-N 0 3 194.278 2.199 20 0 AEADHN CC[C@H](NCc1cnc(C)o1)C1CC1 397882454 487280733 /nfs/dbraw/zinc/28/07/33/487280733.db2.gz BLGKEQAMIGJOHK-NSHDSACASA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncc(CN[C@H](C)C(C)C)o1 397886344 487280808 /nfs/dbraw/zinc/28/08/08/487280808.db2.gz DGWXILMDNLSWHA-MRVPVSSYSA-N 0 3 182.267 2.117 20 0 AEADHN CC[C@H](C)CNCc1cnc(C)o1 397892084 487280865 /nfs/dbraw/zinc/28/08/65/487280865.db2.gz GTRNZRGVTZKGQR-QMMMGPOBSA-N 0 3 182.267 2.119 20 0 AEADHN CC[C@@H](C)CNCc1cnc(C)o1 397892081 487280882 /nfs/dbraw/zinc/28/08/82/487280882.db2.gz GTRNZRGVTZKGQR-MRVPVSSYSA-N 0 3 182.267 2.119 20 0 AEADHN Cc1ncc(CNCC(C)(C)C)o1 397926976 487281479 /nfs/dbraw/zinc/28/14/79/487281479.db2.gz SMQMCXMMCGQMPF-UHFFFAOYSA-N 0 3 182.267 2.119 20 0 AEADHN Cc1ncc(CNCCC(C)C)o1 397900795 487281507 /nfs/dbraw/zinc/28/15/07/487281507.db2.gz KIGSECGLQLIJQJ-UHFFFAOYSA-N 0 3 182.267 2.119 20 0 AEADHN CCC(CC)NCc1cnc(C)o1 397943183 487281517 /nfs/dbraw/zinc/28/15/17/487281517.db2.gz ZPBXIOIMKNUOET-UHFFFAOYSA-N 0 3 182.267 2.261 20 0 AEADHN CCC[C@@H](C)NCc1cnc(C)o1 397943215 487281524 /nfs/dbraw/zinc/28/15/24/487281524.db2.gz ZSHTYITUBXGFGE-MRVPVSSYSA-N 0 3 182.267 2.261 20 0 AEADHN Cc1ncc(CN[C@H](C)CC2CC2)o1 397924713 487281657 /nfs/dbraw/zinc/28/16/57/487281657.db2.gz RRERXTULNWEDLV-MRVPVSSYSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncc(CN[C@@H](C)CC2CC2)o1 397924714 487281705 /nfs/dbraw/zinc/28/17/05/487281705.db2.gz RRERXTULNWEDLV-QMMMGPOBSA-N 0 3 194.278 2.261 20 0 AEADHN CCC[C@H](C)NCc1cnc(C)o1 397943216 487281857 /nfs/dbraw/zinc/28/18/57/487281857.db2.gz ZSHTYITUBXGFGE-QMMMGPOBSA-N 0 3 182.267 2.261 20 0 AEADHN C1=C(CNCc2ccccn2)CCC1 401019787 487287668 /nfs/dbraw/zinc/28/76/68/487287668.db2.gz GDXDFEQOTKRDOL-UHFFFAOYSA-N 0 3 188.274 2.282 20 0 AEADHN C1=C(CNCc2ccncc2)CCC1 401027040 487287821 /nfs/dbraw/zinc/28/78/21/487287821.db2.gz KNGZHKZILUHTDS-UHFFFAOYSA-N 0 3 188.274 2.282 20 0 AEADHN C1=C(CNCc2ccco2)CCC1 400882075 487287855 /nfs/dbraw/zinc/28/78/55/487287855.db2.gz RTHHGPHSBXOFCW-UHFFFAOYSA-N 0 3 177.247 2.480 20 0 AEADHN C1=C(CNCc2cccnc2)CCC1 401020884 487287877 /nfs/dbraw/zinc/28/78/77/487287877.db2.gz GXEBSUOXJGOQMZ-UHFFFAOYSA-N 0 3 188.274 2.282 20 0 AEADHN C1=C(CNCc2cncs2)CCC1 401102809 487288593 /nfs/dbraw/zinc/28/85/93/487288593.db2.gz ZAXYECAALMVPMC-UHFFFAOYSA-N 0 3 194.303 2.343 20 0 AEADHN C[C@H]1CC[C@@H](N[C@H](C)CF)CS1 655773629 487312373 /nfs/dbraw/zinc/31/23/73/487312373.db2.gz AXBONEDYQFKKIG-HRDYMLBCSA-N 0 3 191.315 2.218 20 0 AEADHN C[C@H](CF)N[C@@H]1CC[C@@H](C)SC1 655773630 487312497 /nfs/dbraw/zinc/31/24/97/487312497.db2.gz AXBONEDYQFKKIG-IWSPIJDZSA-N 0 3 191.315 2.218 20 0 AEADHN C[C@H]1CC[C@H](N[C@H](C)CF)CS1 655773631 487312524 /nfs/dbraw/zinc/31/25/24/487312524.db2.gz AXBONEDYQFKKIG-VGMNWLOBSA-N 0 3 191.315 2.218 20 0 AEADHN C[C@H](CF)N[C@H]1CC[C@@H](C)SC1 655773628 487312540 /nfs/dbraw/zinc/31/25/40/487312540.db2.gz AXBONEDYQFKKIG-HLTSFMKQSA-N 0 3 191.315 2.218 20 0 AEADHN C[C@@H](NCC(C)(C)C)c1ccn(C)n1 666084744 487319258 /nfs/dbraw/zinc/31/92/58/487319258.db2.gz ZFCUYMVOFUJFCH-SECBINFHSA-N 0 3 195.310 2.117 20 0 AEADHN C[C@H](NCC(C)(C)C)c1ccn(C)n1 666084745 487319627 /nfs/dbraw/zinc/31/96/27/487319627.db2.gz ZFCUYMVOFUJFCH-VIFPVBQESA-N 0 3 195.310 2.117 20 0 AEADHN CCC1(N[C@@H](C)c2ccn(C)n2)CC1 666141910 487321297 /nfs/dbraw/zinc/32/12/97/487321297.db2.gz XEJNLEADSPUKHF-VIFPVBQESA-N 0 3 193.294 2.013 20 0 AEADHN CCC1(N[C@H](C)c2ccn(C)n2)CC1 666141904 487321437 /nfs/dbraw/zinc/32/14/37/487321437.db2.gz XEJNLEADSPUKHF-SECBINFHSA-N 0 3 193.294 2.013 20 0 AEADHN CCC(CC)NCc1ccn(CC)n1 666195201 487323724 /nfs/dbraw/zinc/32/37/24/487323724.db2.gz OIHORCCMIBQORV-UHFFFAOYSA-N 0 3 195.310 2.181 20 0 AEADHN CCn1ccc(CN[C@H](C)C(C)C)n1 666195573 487324315 /nfs/dbraw/zinc/32/43/15/487324315.db2.gz QTGNVIDEUWHALM-SNVBAGLBSA-N 0 3 195.310 2.037 20 0 AEADHN CCn1ccc(CN[C@@H](C)C(C)C)n1 666195572 487324464 /nfs/dbraw/zinc/32/44/64/487324464.db2.gz QTGNVIDEUWHALM-JTQLQIEISA-N 0 3 195.310 2.037 20 0 AEADHN CCC[C@@H](C)NCc1ccn(CC)n1 666195554 487324579 /nfs/dbraw/zinc/32/45/79/487324579.db2.gz BDNZSSYZWWBHGC-SNVBAGLBSA-N 0 3 195.310 2.181 20 0 AEADHN CCC[C@H](C)NCc1ccn(CC)n1 666195553 487324683 /nfs/dbraw/zinc/32/46/83/487324683.db2.gz BDNZSSYZWWBHGC-JTQLQIEISA-N 0 3 195.310 2.181 20 0 AEADHN CCC[C@H](C)NCc1cc(C)n(C)n1 666211968 487325283 /nfs/dbraw/zinc/32/52/83/487325283.db2.gz AQSSPZLWBFIETN-VIFPVBQESA-N 0 3 195.310 2.007 20 0 AEADHN CCCCCNCc1cc(C)n(C)n1 666214268 487325297 /nfs/dbraw/zinc/32/52/97/487325297.db2.gz PFEGKYQOTADCAX-UHFFFAOYSA-N 0 3 195.310 2.008 20 0 AEADHN CCC[C@@H](C)NCc1cc(C)n(C)n1 666211966 487325302 /nfs/dbraw/zinc/32/53/02/487325302.db2.gz AQSSPZLWBFIETN-SECBINFHSA-N 0 3 195.310 2.007 20 0 AEADHN CCN(CC)Cc1ccoc1C 666292408 487326375 /nfs/dbraw/zinc/32/63/75/487326375.db2.gz ACIFOPBCWLJQHO-UHFFFAOYSA-N 0 3 167.252 2.430 20 0 AEADHN CCN(CCOC)Cc1ccoc1C 666293654 487326931 /nfs/dbraw/zinc/32/69/31/487326931.db2.gz MFHTYKLXWZYNAV-UHFFFAOYSA-N 0 3 197.278 2.056 20 0 AEADHN CC[C@@H](C)CNCc1ccn(CC)n1 666409257 487328514 /nfs/dbraw/zinc/32/85/14/487328514.db2.gz FXOMETNLZXWRLN-SNVBAGLBSA-N 0 3 195.310 2.039 20 0 AEADHN CCn1ccc(CNCC(C)(C)C)n1 666409276 487328597 /nfs/dbraw/zinc/32/85/97/487328597.db2.gz SYRKUFMJDLXMFZ-UHFFFAOYSA-N 0 3 195.310 2.039 20 0 AEADHN CC[C@H](C)CNCc1ccn(CC)n1 666409256 487328925 /nfs/dbraw/zinc/32/89/25/487328925.db2.gz FXOMETNLZXWRLN-JTQLQIEISA-N 0 3 195.310 2.039 20 0 AEADHN FC1(CN[C@@H]2C[C@H]2c2ccco2)CC1 666482094 487330167 /nfs/dbraw/zinc/33/01/67/487330167.db2.gz JCBUZBIRFKWYGY-RKDXNWHRSA-N 0 3 195.237 2.227 20 0 AEADHN C[C@H]1CC(C)(C)CN1Cc1cn[nH]c1 666455019 487330424 /nfs/dbraw/zinc/33/04/24/487330424.db2.gz OIUHYELEGUNWAM-VIFPVBQESA-N 0 3 193.294 2.030 20 0 AEADHN C[C@@H]1CC(C)(C)CN1Cc1cn[nH]c1 666455018 487330630 /nfs/dbraw/zinc/33/06/30/487330630.db2.gz OIUHYELEGUNWAM-SECBINFHSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@@H](CF)NC1CC(CF)(CF)C1 668174216 487360878 /nfs/dbraw/zinc/36/08/78/487360878.db2.gz HDDQUINFBGOKIB-ZETCQYMHSA-N 0 3 195.228 2.022 20 0 AEADHN C[C@H](CF)NC1CC(CF)(CF)C1 668174215 487361063 /nfs/dbraw/zinc/36/10/63/487361063.db2.gz HDDQUINFBGOKIB-SSDOTTSWSA-N 0 3 195.228 2.022 20 0 AEADHN c1coc(CN2CC[C@H]3C[C@H]3C2)c1 668675991 487365771 /nfs/dbraw/zinc/36/57/71/487365771.db2.gz KVTICLXMIRMXKJ-UWVGGRQHSA-N 0 3 177.247 2.121 20 0 AEADHN c1coc(CN2CC[C@@H]3C[C@@H]3C2)c1 668675990 487365781 /nfs/dbraw/zinc/36/57/81/487365781.db2.gz KVTICLXMIRMXKJ-NXEZZACHSA-N 0 3 177.247 2.121 20 0 AEADHN Cc1ccoc1CN1CC[C@@H]2C[C@@H]2C1 668675754 487365821 /nfs/dbraw/zinc/36/58/21/487365821.db2.gz HSKUQORMDJMULM-GHMZBOCLSA-N 0 3 191.274 2.430 20 0 AEADHN Cc1ccoc1CN1CC[C@H]2C[C@H]2C1 668675756 487365844 /nfs/dbraw/zinc/36/58/44/487365844.db2.gz HSKUQORMDJMULM-QWRGUYRKSA-N 0 3 191.274 2.430 20 0 AEADHN Cc1ccc(CN2CC[C@H]3C[C@H]3C2)o1 668675481 487365979 /nfs/dbraw/zinc/36/59/79/487365979.db2.gz CVOHHARMYRKBID-QWRGUYRKSA-N 0 3 191.274 2.430 20 0 AEADHN Cc1ccc(CN2CC[C@@H]3C[C@@H]3C2)o1 668675479 487366014 /nfs/dbraw/zinc/36/60/14/487366014.db2.gz CVOHHARMYRKBID-GHMZBOCLSA-N 0 3 191.274 2.430 20 0 AEADHN Cc1occc1CN1CC[C@@H]2C[C@@H]2C1 668679093 487366246 /nfs/dbraw/zinc/36/62/46/487366246.db2.gz ZHVQKSGOCUIKET-ZYHUDNBSSA-N 0 3 191.274 2.430 20 0 AEADHN Cc1occc1CN1CC[C@H]2C[C@H]2C1 668679091 487366324 /nfs/dbraw/zinc/36/63/24/487366324.db2.gz ZHVQKSGOCUIKET-JQWIXIFHSA-N 0 3 191.274 2.430 20 0 AEADHN CCCN(CC)Cc1cncn1CC 669487636 487373387 /nfs/dbraw/zinc/37/33/87/487373387.db2.gz KKBGYELOYQGZAY-UHFFFAOYSA-N 0 3 195.310 2.135 20 0 AEADHN CCN(CC)Cc1cn(CC)nc1C 891436477 582477890 /nfs/dbraw/zinc/47/78/90/582477890.db2.gz NUJVVTBIURAQSH-UHFFFAOYSA-N 0 3 195.310 2.053 20 0 AEADHN CCN(CC)Cc1cnc(F)cc1C 891438337 582478272 /nfs/dbraw/zinc/47/82/72/582478272.db2.gz KJFPCNUCESEASN-UHFFFAOYSA-N 0 3 196.269 2.371 20 0 AEADHN CCN(CC)Cc1cnc(F)c(C)c1 891438488 582478391 /nfs/dbraw/zinc/47/83/91/582478391.db2.gz MHNGPUJVGONDHC-UHFFFAOYSA-N 0 3 196.269 2.371 20 0 AEADHN CCCNCc1c(C)noc1CC 892444502 582489609 /nfs/dbraw/zinc/48/96/09/582489609.db2.gz SWELTYXJTNSSNV-UHFFFAOYSA-N 0 3 182.267 2.045 20 0 AEADHN CN(CCCF)Cc1ccoc1 393325641 582492717 /nfs/dbraw/zinc/49/27/17/582492717.db2.gz OPOUGNHTLAJASE-UHFFFAOYSA-N 0 3 171.215 2.071 20 0 AEADHN CC1CCN(C/C=C\Cl)CC1 207162929 582497808 /nfs/dbraw/zinc/49/78/08/582497808.db2.gz ICSPWVVJVQYFMF-DJWKRKHSSA-N 0 3 173.687 2.471 20 0 AEADHN Cc1ncoc1CN1CCC(C)(C)C1 894021683 582508754 /nfs/dbraw/zinc/50/87/54/582508754.db2.gz XGLDFJUYAWQPQC-UHFFFAOYSA-N 0 3 194.278 2.215 20 0 AEADHN Cc1ncoc1CN(C)CC(C)(C)C 893968918 582508730 /nfs/dbraw/zinc/50/87/30/582508730.db2.gz NVRXMWRPEPSFFX-UHFFFAOYSA-N 0 3 196.294 2.461 20 0 AEADHN Cc1ncoc1CN1C[C@@H](C)[C@H](C)C1 894035498 582508556 /nfs/dbraw/zinc/50/85/56/582508556.db2.gz ZMFNEMHKDXLUOM-RKDXNWHRSA-N 0 3 194.278 2.071 20 0 AEADHN Cc1ncoc1CN(C)[C@@H](C)C1CC1 893946044 582508615 /nfs/dbraw/zinc/50/86/15/582508615.db2.gz KDJSQANNXWWACN-VIFPVBQESA-N 0 3 194.278 2.213 20 0 AEADHN Cc1ncoc1CN(C)[C@H](C)C1CC1 893946042 582508829 /nfs/dbraw/zinc/50/88/29/582508829.db2.gz KDJSQANNXWWACN-SECBINFHSA-N 0 3 194.278 2.213 20 0 AEADHN CC[C@H]1CCCN1Cc1ocnc1C 893974680 582508894 /nfs/dbraw/zinc/50/88/94/582508894.db2.gz WCJPXWRSQIDXNM-JTQLQIEISA-N 0 3 194.278 2.357 20 0 AEADHN CC[C@@H]1CCCN1Cc1ocnc1C 893974681 582508926 /nfs/dbraw/zinc/50/89/26/582508926.db2.gz WCJPXWRSQIDXNM-SNVBAGLBSA-N 0 3 194.278 2.357 20 0 AEADHN Cc1ncoc1CN1C[C@H](C)[C@@H](C)C1 894035497 582509087 /nfs/dbraw/zinc/50/90/87/582509087.db2.gz ZMFNEMHKDXLUOM-IUCAKERBSA-N 0 3 194.278 2.071 20 0 AEADHN Cc1ncoc1CN1C[C@@H](C)[C@@H](C)C1 894035496 582509439 /nfs/dbraw/zinc/50/94/39/582509439.db2.gz ZMFNEMHKDXLUOM-DTORHVGOSA-N 0 3 194.278 2.071 20 0 AEADHN Cc1ncoc1CN1C[C@@H](C)C[C@@H]1C 894044958 582509608 /nfs/dbraw/zinc/50/96/08/582509608.db2.gz NPZWRKCMIREMPW-IUCAKERBSA-N 0 3 194.278 2.213 20 0 AEADHN Cc1ncoc1CN1C[C@H](C)C[C@@H]1C 894044956 582509809 /nfs/dbraw/zinc/50/98/09/582509809.db2.gz NPZWRKCMIREMPW-BDAKNGLRSA-N 0 3 194.278 2.213 20 0 AEADHN Cc1ncoc1CN1C[C@H](C)C[C@H]1C 894044959 582509936 /nfs/dbraw/zinc/50/99/36/582509936.db2.gz NPZWRKCMIREMPW-RKDXNWHRSA-N 0 3 194.278 2.213 20 0 AEADHN Cc1ncoc1CN1C[C@@H](C)C[C@H]1C 894044957 582510013 /nfs/dbraw/zinc/51/00/13/582510013.db2.gz NPZWRKCMIREMPW-DTWKUNHWSA-N 0 3 194.278 2.213 20 0 AEADHN C=C/C=C/CCN1CCOC[C@@H]1CC 878109625 582510928 /nfs/dbraw/zinc/51/09/28/582510928.db2.gz WOBHPCCFKMMQHC-FYJFLYSWSA-N 0 3 195.306 2.230 20 0 AEADHN C=C/C=C\CCN1CCOC[C@@H]1CC 878109621 582511024 /nfs/dbraw/zinc/51/10/24/582511024.db2.gz WOBHPCCFKMMQHC-FJOGCWAESA-N 0 3 195.306 2.230 20 0 AEADHN C=C/C=C/CCN1CCOC[C@H]1CC 878109617 582511078 /nfs/dbraw/zinc/51/10/78/582511078.db2.gz WOBHPCCFKMMQHC-BTDICHCPSA-N 0 3 195.306 2.230 20 0 AEADHN C=C/C=C\CCN1CCOC[C@H]1CC 878109623 582511124 /nfs/dbraw/zinc/51/11/24/582511124.db2.gz WOBHPCCFKMMQHC-FOQNGQEVSA-N 0 3 195.306 2.230 20 0 AEADHN CCC(C)(C)NCc1ocnc1C 894212039 582512084 /nfs/dbraw/zinc/51/20/84/582512084.db2.gz WZPOMBUDFGQROA-UHFFFAOYSA-N 0 3 182.267 2.261 20 0 AEADHN FCCNC[C@H]1CCc2ccccc21 894223546 582512279 /nfs/dbraw/zinc/51/22/79/582512279.db2.gz UKEZIGPOMLDVRE-LLVKDONJSA-N 0 3 193.265 2.276 20 0 AEADHN FCCNC[C@@H]1CCc2ccccc21 894223548 582512328 /nfs/dbraw/zinc/51/23/28/582512328.db2.gz UKEZIGPOMLDVRE-NSHDSACASA-N 0 3 193.265 2.276 20 0 AEADHN Cc1ncoc1CN[C@@H]1CCC[C@@H]1C 894247351 582512794 /nfs/dbraw/zinc/51/27/94/582512794.db2.gz RDXGRJRWZUNWNS-WCBMZHEXSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncoc1CNC[C@H]1CC1(C)C 894250799 582512813 /nfs/dbraw/zinc/51/28/13/582512813.db2.gz JABQSYZRNZZONZ-SECBINFHSA-N 0 3 194.278 2.119 20 0 AEADHN Cc1ncoc1CN[C@@H]1CCC[C@H]1C 894247348 582512827 /nfs/dbraw/zinc/51/28/27/582512827.db2.gz RDXGRJRWZUNWNS-PSASIEDQSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncoc1CNC[C@@H]1CC1(C)C 894250800 582512921 /nfs/dbraw/zinc/51/29/21/582512921.db2.gz JABQSYZRNZZONZ-VIFPVBQESA-N 0 3 194.278 2.119 20 0 AEADHN Cc1ncoc1CN[C@H]1CCC[C@@H]1C 894247368 582513063 /nfs/dbraw/zinc/51/30/63/582513063.db2.gz RDXGRJRWZUNWNS-WPRPVWTQSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncoc1CN[C@H]1CCC[C@H]1C 894247350 582513128 /nfs/dbraw/zinc/51/31/28/582513128.db2.gz RDXGRJRWZUNWNS-SCZZXKLOSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncoc1CNC(C)(C)C1CC1 894267249 582513244 /nfs/dbraw/zinc/51/32/44/582513244.db2.gz XHUPIHWVMRUPEP-UHFFFAOYSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncoc1CNCCCC1CC1 894282609 582513427 /nfs/dbraw/zinc/51/34/27/582513427.db2.gz ACROPRDXOOSDOD-UHFFFAOYSA-N 0 3 194.278 2.263 20 0 AEADHN Cc1ncoc1CN[C@@H]1CC=CCC1 894286000 582513779 /nfs/dbraw/zinc/51/37/79/582513779.db2.gz XKXJMSWTZLFPPB-SNVBAGLBSA-N 0 3 192.262 2.181 20 0 AEADHN Cc1ncoc1CN[C@H]1CC=CCC1 894285999 582513871 /nfs/dbraw/zinc/51/38/71/582513871.db2.gz XKXJMSWTZLFPPB-JTQLQIEISA-N 0 3 192.262 2.181 20 0 AEADHN CCC1(CNCc2ocnc2C)CC1 894324557 582513990 /nfs/dbraw/zinc/51/39/90/582513990.db2.gz IQIVJIWEQOGRKJ-UHFFFAOYSA-N 0 3 194.278 2.263 20 0 AEADHN Cc1ncoc1CN[C@H](C)C1CCC1 894369441 582514369 /nfs/dbraw/zinc/51/43/69/582514369.db2.gz VCTOJFHBHHDQSV-MRVPVSSYSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncoc1CN[C@@H](C)C1CCC1 894369442 582514541 /nfs/dbraw/zinc/51/45/41/582514541.db2.gz VCTOJFHBHHDQSV-QMMMGPOBSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncoc1CN[C@H]1CC[C@@H](C)C1 894530219 582515784 /nfs/dbraw/zinc/51/57/84/582515784.db2.gz FRWXRLACSJJSGY-SCZZXKLOSA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@@H](C(N)=O)N1CCC(C)=C(C)C1 336089721 582515803 /nfs/dbraw/zinc/51/58/03/582515803.db2.gz PNPUHKDBHSQHMJ-JTQLQIEISA-N 0 3 196.294 2.342 20 0 AEADHN Cc1ncoc1CN[C@@H]1CC[C@@H](C)C1 894530218 582516034 /nfs/dbraw/zinc/51/60/34/582516034.db2.gz FRWXRLACSJJSGY-PSASIEDQSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncoc1CN[C@@H]1CC[C@H](C)C1 894530220 582516300 /nfs/dbraw/zinc/51/63/00/582516300.db2.gz FRWXRLACSJJSGY-WCBMZHEXSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncoc1CN[C@H]1CC[C@H](C)C1 894530221 582516368 /nfs/dbraw/zinc/51/63/68/582516368.db2.gz FRWXRLACSJJSGY-WPRPVWTQSA-N 0 3 194.278 2.261 20 0 AEADHN CC(C)=CCCNCc1ocnc1C 894543476 582516489 /nfs/dbraw/zinc/51/64/89/582516489.db2.gz RCHZRRAREPGWRP-UHFFFAOYSA-N 0 3 194.278 2.429 20 0 AEADHN Cc1ncoc1CNCCC1(C)CC1 894596614 582516650 /nfs/dbraw/zinc/51/66/50/582516650.db2.gz CCGDWNIXEVPEFE-UHFFFAOYSA-N 0 3 194.278 2.263 20 0 AEADHN Cc1ncoc1CN[C@@H]1CCC1(C)C 894761163 582517789 /nfs/dbraw/zinc/51/77/89/582517789.db2.gz NLCQMPBVDKCBEC-SNVBAGLBSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncoc1CN[C@H]1CCC1(C)C 894761162 582518024 /nfs/dbraw/zinc/51/80/24/582518024.db2.gz NLCQMPBVDKCBEC-JTQLQIEISA-N 0 3 194.278 2.261 20 0 AEADHN C[C@@H]1CCCN(Cc2cc[nH]n2)[C@@H]1C 334219003 582518834 /nfs/dbraw/zinc/51/88/34/582518834.db2.gz FIWGQFARZZJUGT-NXEZZACHSA-N 0 3 193.294 2.030 20 0 AEADHN Cc1ncoc1CNC1(C(C)C)CC1 894860654 582519342 /nfs/dbraw/zinc/51/93/42/582519342.db2.gz SFTKZNTWJCCMRM-UHFFFAOYSA-N 0 3 194.278 2.261 20 0 AEADHN C[C@H]1[C@H](C)CCCN1CCF 306466367 582519872 /nfs/dbraw/zinc/51/98/72/582519872.db2.gz PLEKHUOTZVPMRZ-BDAKNGLRSA-N 0 3 159.248 2.076 20 0 AEADHN CCC1(NCc2ocnc2C)CC1 894877986 582521258 /nfs/dbraw/zinc/52/12/58/582521258.db2.gz OQNRGOPDEKDSTG-UHFFFAOYSA-N 0 3 180.251 2.015 20 0 AEADHN CCC1(CC)CN(Cc2cnc[nH]2)C1 894969038 582521893 /nfs/dbraw/zinc/52/18/93/582521893.db2.gz CVGBHEBNLWOIFS-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CC[C@@H]1C[C@H]1CNCc1ocnc1C 894897474 582521913 /nfs/dbraw/zinc/52/19/13/582521913.db2.gz FRUOPZJDCANTMZ-ZJUUUORDSA-N 0 3 194.278 2.119 20 0 AEADHN Cc1ncoc1CN(C)C(C)(C)C 895087048 582523236 /nfs/dbraw/zinc/52/32/36/582523236.db2.gz TXCUYOVGQRVGCG-UHFFFAOYSA-N 0 3 182.267 2.213 20 0 AEADHN Cc1ncoc1CNC1(C)CC=CC1 895182374 582524815 /nfs/dbraw/zinc/52/48/15/582524815.db2.gz CTRFQWFJYOFLNE-UHFFFAOYSA-N 0 3 192.262 2.181 20 0 AEADHN CC[C@H](NCc1ocnc1C)C1CC1 895277564 582525791 /nfs/dbraw/zinc/52/57/91/582525791.db2.gz IMFQYSNNRCFJJD-JTQLQIEISA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@@H](NCc1ocnc1C)C1CC1 895277565 582526073 /nfs/dbraw/zinc/52/60/73/582526073.db2.gz IMFQYSNNRCFJJD-SNVBAGLBSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncoc1CN[C@]1(C)CC1(C)C 895336214 582527088 /nfs/dbraw/zinc/52/70/88/582527088.db2.gz QNRPGHOFFGOLCY-LLVKDONJSA-N 0 3 194.278 2.261 20 0 AEADHN CCN(Cc1cnc(C)nc1)C(C)C 727434318 582527141 /nfs/dbraw/zinc/52/71/41/582527141.db2.gz IWZGHFAYURCULD-UHFFFAOYSA-N 0 3 193.294 2.015 20 0 AEADHN Cc1ncoc1CN[C@@]1(C)CC1(C)C 895336215 582527224 /nfs/dbraw/zinc/52/72/24/582527224.db2.gz QNRPGHOFFGOLCY-NSHDSACASA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncoc1CNCC1CC=CC1 895391279 582527650 /nfs/dbraw/zinc/52/76/50/582527650.db2.gz XEAPIMPAWMKZPS-UHFFFAOYSA-N 0 3 192.262 2.039 20 0 AEADHN Cc1ncoc1CNCC1CC(C)C1 895378181 582527939 /nfs/dbraw/zinc/52/79/39/582527939.db2.gz QEZWJSAVAXJXJN-UHFFFAOYSA-N 0 3 194.278 2.119 20 0 AEADHN FC[C@H]1CCCN(Cc2ccco2)C1 895545947 582529065 /nfs/dbraw/zinc/52/90/65/582529065.db2.gz JFQAJOJROZKORF-SNVBAGLBSA-N 0 3 197.253 2.461 20 0 AEADHN Cc1ccoc1CN1CC[C@@H](CF)C1 895572054 582529083 /nfs/dbraw/zinc/52/90/83/582529083.db2.gz DVKGGYYSJLZVCK-JTQLQIEISA-N 0 3 197.253 2.379 20 0 AEADHN FC[C@H]1CCN(Cc2ccco2)C1 895575861 582529108 /nfs/dbraw/zinc/52/91/08/582529108.db2.gz VOKGGFYNFVBDKH-SECBINFHSA-N 0 3 183.226 2.071 20 0 AEADHN FC[C@@H]1CCN(Cc2ccco2)C1 895575864 582529198 /nfs/dbraw/zinc/52/91/98/582529198.db2.gz VOKGGFYNFVBDKH-VIFPVBQESA-N 0 3 183.226 2.071 20 0 AEADHN C=C/C=C\CCNCc1ocnc1C 895542460 582529231 /nfs/dbraw/zinc/52/92/31/582529231.db2.gz ZJVMNBZVNIAEAJ-PLNGDYQASA-N 0 3 192.262 2.205 20 0 AEADHN Cc1occc1CN1CC[C@@H](CF)C1 895573622 582529263 /nfs/dbraw/zinc/52/92/63/582529263.db2.gz QGIZCOVFJBJYBX-JTQLQIEISA-N 0 3 197.253 2.379 20 0 AEADHN Cc1occc1CN1CC[C@H](CF)C1 895573624 582529298 /nfs/dbraw/zinc/52/92/98/582529298.db2.gz QGIZCOVFJBJYBX-SNVBAGLBSA-N 0 3 197.253 2.379 20 0 AEADHN C=C/C=C/CCNCc1ocnc1C 895542461 582529301 /nfs/dbraw/zinc/52/93/01/582529301.db2.gz ZJVMNBZVNIAEAJ-SNAWJCMRSA-N 0 3 192.262 2.205 20 0 AEADHN Cc1ccc(CN2CC[C@@H](CF)C2)o1 895573225 582529338 /nfs/dbraw/zinc/52/93/38/582529338.db2.gz JAACAYDUVOAHHH-JTQLQIEISA-N 0 3 197.253 2.379 20 0 AEADHN FC[C@@H]1CCCN(Cc2ccco2)C1 895545946 582529355 /nfs/dbraw/zinc/52/93/55/582529355.db2.gz JFQAJOJROZKORF-JTQLQIEISA-N 0 3 197.253 2.461 20 0 AEADHN Cc1ccoc1CN1CC[C@H](CF)C1 895572055 582529379 /nfs/dbraw/zinc/52/93/79/582529379.db2.gz DVKGGYYSJLZVCK-SNVBAGLBSA-N 0 3 197.253 2.379 20 0 AEADHN Cc1ccc(CN2CC[C@H](CF)C2)o1 895573226 582529388 /nfs/dbraw/zinc/52/93/88/582529388.db2.gz JAACAYDUVOAHHH-SNVBAGLBSA-N 0 3 197.253 2.379 20 0 AEADHN CC[C@H](C(N)=O)N1CCC(C)=C(C)C1 336089722 582535069 /nfs/dbraw/zinc/53/50/69/582535069.db2.gz PNPUHKDBHSQHMJ-SNVBAGLBSA-N 0 3 196.294 2.342 20 0 AEADHN CC(C)CCN1C[C@H](C)O[C@H](C)C1 6031206 582540001 /nfs/dbraw/zinc/54/00/01/582540001.db2.gz UCPHBPFIPZAAAJ-PHIMTYICSA-N 0 3 185.311 2.142 20 0 AEADHN CCN(CC)Cc1ccc(C)o1 6139193 582540239 /nfs/dbraw/zinc/54/02/39/582540239.db2.gz FYKXSKAAZSUNKA-UHFFFAOYSA-N 0 3 167.252 2.430 20 0 AEADHN CCC(CC)NCc1cc(C)n(C)n1 393674826 582544633 /nfs/dbraw/zinc/54/46/33/582544633.db2.gz SPWJESQNCKBXCF-UHFFFAOYSA-N 0 3 195.310 2.007 20 0 AEADHN CC(C)OC[C@@H](C)NC/C=C\Cl 898430053 582554914 /nfs/dbraw/zinc/55/49/14/582554914.db2.gz TZOJLBBMKONIHT-XRVBUDJMSA-N 0 3 191.702 2.142 20 0 AEADHN CC(C)OC[C@@H](C)NC/C=C/Cl 898430052 582554984 /nfs/dbraw/zinc/55/49/84/582554984.db2.gz TZOJLBBMKONIHT-XNPJLODASA-N 0 3 191.702 2.142 20 0 AEADHN CC(C)OC[C@H](C)NC/C=C/Cl 898430050 582554995 /nfs/dbraw/zinc/55/49/95/582554995.db2.gz TZOJLBBMKONIHT-MOVJSRMASA-N 0 3 191.702 2.142 20 0 AEADHN CC(C)OC[C@H](C)NC/C=C\Cl 898430051 582555083 /nfs/dbraw/zinc/55/50/83/582555083.db2.gz TZOJLBBMKONIHT-WBSSQXGSSA-N 0 3 191.702 2.142 20 0 AEADHN CC1CC(CSCCN(C)C)C1 901506510 582586612 /nfs/dbraw/zinc/58/66/12/582586612.db2.gz BBDLXAKVARTOKH-UHFFFAOYSA-N 0 3 187.352 2.327 20 0 AEADHN CNc1ccc(C)cc1CNC1CC1 902026222 582592331 /nfs/dbraw/zinc/59/23/31/582592331.db2.gz LJFJVKPTHKPJIM-UHFFFAOYSA-N 0 3 190.290 2.289 20 0 AEADHN CCNc1ccccc1CNC1CC1 902026369 582592444 /nfs/dbraw/zinc/59/24/44/582592444.db2.gz LVAZYQNQFKTXCG-UHFFFAOYSA-N 0 3 190.290 2.370 20 0 AEADHN CC[C@@H]1C[C@H]1CN1CCC[C@@H](F)C1 902990996 582619750 /nfs/dbraw/zinc/61/97/50/582619750.db2.gz JAGNUHWWLRZEGF-OUAUKWLOSA-N 0 3 185.286 2.466 20 0 AEADHN F[C@@H]1CCCN(CC2CCC2)C1 902991925 582619773 /nfs/dbraw/zinc/61/97/73/582619773.db2.gz FLFIBGIFDZZZKQ-SNVBAGLBSA-N 0 3 171.259 2.220 20 0 AEADHN CC1CC(CN2CCC[C@H](F)C2)C1 902990753 582619781 /nfs/dbraw/zinc/61/97/81/582619781.db2.gz FNFPGIXCSAMONS-ILDUYXDCSA-N 0 3 185.286 2.466 20 0 AEADHN F[C@H]1CCCN(CC2CC=CC2)C1 902992078 582619786 /nfs/dbraw/zinc/61/97/86/582619786.db2.gz GSKGLYMLDVYZDZ-NSHDSACASA-N 0 3 183.270 2.387 20 0 AEADHN F[C@@H]1CCCN(C2CCCC2)C1 902996267 582619938 /nfs/dbraw/zinc/61/99/38/582619938.db2.gz RTAIVOAJOOGSRQ-SECBINFHSA-N 0 3 171.259 2.363 20 0 AEADHN F[C@H]1CCCN(CC2CCC2)C1 902991924 582619995 /nfs/dbraw/zinc/61/99/95/582619995.db2.gz FLFIBGIFDZZZKQ-JTQLQIEISA-N 0 3 171.259 2.220 20 0 AEADHN F[C@@H]1CCCN(CC2CC=CC2)C1 902992077 582620244 /nfs/dbraw/zinc/62/02/44/582620244.db2.gz GSKGLYMLDVYZDZ-LLVKDONJSA-N 0 3 183.270 2.387 20 0 AEADHN CC1CC(CN2CCC[C@@H](F)C2)C1 902990754 582620308 /nfs/dbraw/zinc/62/03/08/582620308.db2.gz FNFPGIXCSAMONS-VQXHTEKXSA-N 0 3 185.286 2.466 20 0 AEADHN F[C@@H]1CCCN(CCC2CC2)C1 902991436 582620406 /nfs/dbraw/zinc/62/04/06/582620406.db2.gz RDRFPWMOIGEIGJ-SNVBAGLBSA-N 0 3 171.259 2.220 20 0 AEADHN F[C@H]1CCCN(CCC2CC2)C1 902991435 582620481 /nfs/dbraw/zinc/62/04/81/582620481.db2.gz RDRFPWMOIGEIGJ-JTQLQIEISA-N 0 3 171.259 2.220 20 0 AEADHN F[C@H]1CCCN(C2CCCC2)C1 902996269 582620550 /nfs/dbraw/zinc/62/05/50/582620550.db2.gz RTAIVOAJOOGSRQ-VIFPVBQESA-N 0 3 171.259 2.363 20 0 AEADHN CC[C@@H]1C[C@H]1CN1CCC[C@H](F)C1 902990997 582620734 /nfs/dbraw/zinc/62/07/34/582620734.db2.gz JAGNUHWWLRZEGF-VWYCJHECSA-N 0 3 185.286 2.466 20 0 AEADHN CSCCCN1CCC[C@@H](F)C1 902998621 582621579 /nfs/dbraw/zinc/62/15/79/582621579.db2.gz NYIJFNOYQGLWGZ-SECBINFHSA-N 0 3 191.315 2.173 20 0 AEADHN CSCCCN1CCC[C@H](F)C1 902998622 582621588 /nfs/dbraw/zinc/62/15/88/582621588.db2.gz NYIJFNOYQGLWGZ-VIFPVBQESA-N 0 3 191.315 2.173 20 0 AEADHN C[C@@H](NC/C=C/Cl)C1(Cl)CC1 903444788 582624459 /nfs/dbraw/zinc/62/44/59/582624459.db2.gz QWLQIFCQFWCLHQ-AJCRVFRXSA-N 0 3 194.105 2.488 20 0 AEADHN C[C@@H](NC/C=C\Cl)C1(Cl)CC1 903445037 582624469 /nfs/dbraw/zinc/62/44/69/582624469.db2.gz QWLQIFCQFWCLHQ-BIPIGHIPSA-N 0 3 194.105 2.488 20 0 AEADHN C[C@H](NC/C=C/Cl)C1(Cl)CC1 903445038 582624547 /nfs/dbraw/zinc/62/45/47/582624547.db2.gz QWLQIFCQFWCLHQ-KNQJERJVSA-N 0 3 194.105 2.488 20 0 AEADHN C[C@H](NC/C=C\Cl)C1(Cl)CC1 903445040 582624727 /nfs/dbraw/zinc/62/47/27/582624727.db2.gz QWLQIFCQFWCLHQ-KVFVURRZSA-N 0 3 194.105 2.488 20 0 AEADHN C[C@@H]1C[C@@H]1CNc1ccccc1CN 904486042 582639733 /nfs/dbraw/zinc/63/97/33/582639733.db2.gz QIQPNXMWLLWCCI-MWLCHTKSSA-N 0 3 190.290 2.213 20 0 AEADHN C[C@@H]1C[C@H]1CNc1ccccc1CN 904486041 582639749 /nfs/dbraw/zinc/63/97/49/582639749.db2.gz QIQPNXMWLLWCCI-KOLCDFICSA-N 0 3 190.290 2.213 20 0 AEADHN C[C@H]1C[C@H]1CNc1ccccc1CN 904486044 582639988 /nfs/dbraw/zinc/63/99/88/582639988.db2.gz QIQPNXMWLLWCCI-ONGXEEELSA-N 0 3 190.290 2.213 20 0 AEADHN CC(C)CNc1ccccc1CN 904486385 582640224 /nfs/dbraw/zinc/64/02/24/582640224.db2.gz UDKZYUQXLDFRDQ-UHFFFAOYSA-N 0 3 178.279 2.213 20 0 AEADHN C[C@H]1C[C@@H]1CNc1ccccc1CN 904486040 582640276 /nfs/dbraw/zinc/64/02/76/582640276.db2.gz QIQPNXMWLLWCCI-GXSJLCMTSA-N 0 3 190.290 2.213 20 0 AEADHN CCCCNCc1cc(CC)no1 906527786 582655587 /nfs/dbraw/zinc/65/55/87/582655587.db2.gz SJQFGYQSMCOWOJ-UHFFFAOYSA-N 0 3 182.267 2.127 20 0 AEADHN CCCCNCc1ncccc1F 906529211 582656663 /nfs/dbraw/zinc/65/66/63/582656663.db2.gz HVAONSNPJMMKPI-UHFFFAOYSA-N 0 3 182.242 2.110 20 0 AEADHN CCCCNCc1c(CC)noc1C 906531415 582656726 /nfs/dbraw/zinc/65/67/26/582656726.db2.gz OZLILYXOKJHHBP-UHFFFAOYSA-N 0 3 196.294 2.435 20 0 AEADHN CCCCNCc1cccc(F)n1 906529239 582657087 /nfs/dbraw/zinc/65/70/87/582657087.db2.gz JHXFAFOWYGGFAC-UHFFFAOYSA-N 0 3 182.242 2.110 20 0 AEADHN CCN[C@H](C)c1ccncc1Cl 158841655 582664312 /nfs/dbraw/zinc/66/43/12/582664312.db2.gz XTVAUCMVTYRDIE-SSDOTTSWSA-N 0 3 184.670 2.406 20 0 AEADHN CCN[C@@H](C)c1ccncc1Cl 158841522 582664408 /nfs/dbraw/zinc/66/44/08/582664408.db2.gz XTVAUCMVTYRDIE-ZETCQYMHSA-N 0 3 184.670 2.406 20 0 AEADHN CC[C@H](C)N(C)Cc1cncs1 393348769 582669574 /nfs/dbraw/zinc/66/95/74/582669574.db2.gz LRWIVECFBMGHKI-QMMMGPOBSA-N 0 3 184.308 2.373 20 0 AEADHN CC[C@@H](C)NCc1ccc(F)cn1 158273834 582696267 /nfs/dbraw/zinc/69/62/67/582696267.db2.gz KTZWKUARTFWQKS-MRVPVSSYSA-N 0 3 182.242 2.109 20 0 AEADHN CC[C@H](C)NCc1ccc(F)cn1 158273981 582696271 /nfs/dbraw/zinc/69/62/71/582696271.db2.gz KTZWKUARTFWQKS-QMMMGPOBSA-N 0 3 182.242 2.109 20 0 AEADHN CCCN[C@@H](C)c1cscn1 22861987 582698854 /nfs/dbraw/zinc/69/88/54/582698854.db2.gz YHUYWKCNJIAMFM-ZETCQYMHSA-N 0 3 170.281 2.204 20 0 AEADHN CC(C)C[C@H]1COCCN1CC1CC1 202462641 582699260 /nfs/dbraw/zinc/69/92/60/582699260.db2.gz BMZXVMPPQDYOEG-LBPRGKRZSA-N 0 3 197.322 2.143 20 0 AEADHN Cc1cc(C(C)(C)C)cc(N)n1 164846137 582704562 /nfs/dbraw/zinc/70/45/62/582704562.db2.gz DGTGBXUMMOVAQM-UHFFFAOYSA-N 0 3 164.252 2.270 20 0 AEADHN Cc1cc([C@H](C)NCCO)c(C)s1 20596860 582704697 /nfs/dbraw/zinc/70/46/97/582704697.db2.gz YSCLMCIAHJYQKH-QMMMGPOBSA-N 0 3 199.319 2.008 20 0 AEADHN Cc1cc([C@@H](C)NCCO)c(C)s1 20596859 582704733 /nfs/dbraw/zinc/70/47/33/582704733.db2.gz YSCLMCIAHJYQKH-MRVPVSSYSA-N 0 3 199.319 2.008 20 0 AEADHN CC(C)CN[C@H](C)c1cscn1 22862255 582706236 /nfs/dbraw/zinc/70/62/36/582706236.db2.gz CDAJWOANXDLHDT-MRVPVSSYSA-N 0 3 184.308 2.450 20 0 AEADHN CC(C)C[C@@H]1COCCN1CC1CC1 202462620 582707059 /nfs/dbraw/zinc/70/70/59/582707059.db2.gz BMZXVMPPQDYOEG-GFCCVEGCSA-N 0 3 197.322 2.143 20 0 AEADHN CC(C)C[C@@H](C)CN1CCOCC1 200782088 582707197 /nfs/dbraw/zinc/70/71/97/582707197.db2.gz RDASIKILXQQIRX-LLVKDONJSA-N 0 3 185.311 2.001 20 0 AEADHN CC(C)C[C@H](C)CN1CCOCC1 200782119 582707539 /nfs/dbraw/zinc/70/75/39/582707539.db2.gz RDASIKILXQQIRX-NSHDSACASA-N 0 3 185.311 2.001 20 0 AEADHN CCN1CCN(CCCC(C)C)CC1 205258883 582710032 /nfs/dbraw/zinc/71/00/32/582710032.db2.gz KHOKWBSBLOLTCL-UHFFFAOYSA-N 0 3 198.354 2.060 20 0 AEADHN Cc1cc(CNC2(C3CC3)CC2)on1 379665256 582713485 /nfs/dbraw/zinc/71/34/85/582713485.db2.gz VQKKYVDPBZSRQG-UHFFFAOYSA-N 0 3 192.262 2.015 20 0 AEADHN CC(C)=CCNCc1ccc(O)cc1 199283061 582714538 /nfs/dbraw/zinc/71/45/38/582714538.db2.gz BBBNIDTYPLPQRL-UHFFFAOYSA-N 0 3 191.274 2.448 20 0 AEADHN CC(C)=CCNCc1cccnc1 198557298 582714595 /nfs/dbraw/zinc/71/45/95/582714595.db2.gz KSSIRISYZLIKDC-UHFFFAOYSA-N 0 3 176.263 2.137 20 0 AEADHN CCCCN(CC)Cc1cnccn1 838783857 582720896 /nfs/dbraw/zinc/72/08/96/582720896.db2.gz WATBGSDCHIKKGL-UHFFFAOYSA-N 0 3 193.294 2.099 20 0 AEADHN CCC1(C)CN(C[C@H]2CCC=CO2)C1 839142967 582726142 /nfs/dbraw/zinc/72/61/42/582726142.db2.gz MLRPKTLGDLUXSB-LLVKDONJSA-N 0 3 195.306 2.411 20 0 AEADHN COC1CN(CC2CCCCCC2)C1 839127926 582726169 /nfs/dbraw/zinc/72/61/69/582726169.db2.gz KHPGYQQUZXGLLI-UHFFFAOYSA-N 0 3 197.322 2.287 20 0 AEADHN COC1CN(C[C@H]2CCCC[C@H]2C)C1 839130966 582726338 /nfs/dbraw/zinc/72/63/38/582726338.db2.gz JTWMKKCKBABIAQ-GHMZBOCLSA-N 0 3 197.322 2.143 20 0 AEADHN COC1CN(C[C@@H]2CCCC[C@H]2C)C1 839130967 582726271 /nfs/dbraw/zinc/72/62/71/582726271.db2.gz JTWMKKCKBABIAQ-MNOVXSKESA-N 0 3 197.322 2.143 20 0 AEADHN COC1CN(C[C@H]2CCCC[C@@H]2C)C1 839130969 582726327 /nfs/dbraw/zinc/72/63/27/582726327.db2.gz JTWMKKCKBABIAQ-WDEREUQCSA-N 0 3 197.322 2.143 20 0 AEADHN CCC1(C)CN(C[C@@H]2CCC=CO2)C1 839142969 582726593 /nfs/dbraw/zinc/72/65/93/582726593.db2.gz MLRPKTLGDLUXSB-NSHDSACASA-N 0 3 195.306 2.411 20 0 AEADHN COC1CN(CC(C(C)C)C(C)C)C1 839130982 582726609 /nfs/dbraw/zinc/72/66/09/582726609.db2.gz KPQBLWHCZUGZKJ-UHFFFAOYSA-N 0 3 199.338 2.245 20 0 AEADHN COC1CN(C[C@@H]2CCCC[C@@H]2C)C1 839130968 582726705 /nfs/dbraw/zinc/72/67/05/582726705.db2.gz JTWMKKCKBABIAQ-QWRGUYRKSA-N 0 3 197.322 2.143 20 0 AEADHN CN(CCF)C1CC(C)(C)C1 839192264 582727874 /nfs/dbraw/zinc/72/78/74/582727874.db2.gz NWATYUHCGIIHNH-UHFFFAOYSA-N 0 3 159.248 2.076 20 0 AEADHN CCN(Cc1cnc(C)cn1)C(C)C 750284201 582756668 /nfs/dbraw/zinc/75/66/68/582756668.db2.gz JWVGMSFNOWTRHE-UHFFFAOYSA-N 0 3 193.294 2.015 20 0 AEADHN CCC(=O)CCN1CCCC2(CC2)C1 753766617 582776814 /nfs/dbraw/zinc/77/68/14/582776814.db2.gz UJOBCTMKGFRTJA-UHFFFAOYSA-N 0 3 195.306 2.232 20 0 AEADHN Cc1oncc1CN(C)[C@@H](C)C1CC1 753914347 582778058 /nfs/dbraw/zinc/77/80/58/582778058.db2.gz COHUWXFBWISAGY-QMMMGPOBSA-N 0 3 194.278 2.213 20 0 AEADHN Cc1oncc1CN(C)[C@H](C)C1CC1 753914315 582778095 /nfs/dbraw/zinc/77/80/95/582778095.db2.gz COHUWXFBWISAGY-MRVPVSSYSA-N 0 3 194.278 2.213 20 0 AEADHN Cc1oncc1CN(C(C)C)C1CC1 753920878 582778271 /nfs/dbraw/zinc/77/82/71/582778271.db2.gz IRPGNDZRHRVMHJ-UHFFFAOYSA-N 0 3 194.278 2.356 20 0 AEADHN CCCCCCN(C)Cc1cn[nH]c1 754659983 582782628 /nfs/dbraw/zinc/78/26/28/582782628.db2.gz OQMLBTQEEMUOOO-UHFFFAOYSA-N 0 3 195.310 2.422 20 0 AEADHN C[C@@H]1CC(C)(C)CN1CCF 839658712 582795108 /nfs/dbraw/zinc/79/51/08/582795108.db2.gz RHZUGABBFVOSAX-MRVPVSSYSA-N 0 3 159.248 2.076 20 0 AEADHN C[C@H]1CC(C)(C)CN1CCF 839658714 582795377 /nfs/dbraw/zinc/79/53/77/582795377.db2.gz RHZUGABBFVOSAX-QMMMGPOBSA-N 0 3 159.248 2.076 20 0 AEADHN CN(CCF)C1Cc2ccccc2C1 759330653 582802372 /nfs/dbraw/zinc/80/23/72/582802372.db2.gz OYNMOZVVAOYQJQ-UHFFFAOYSA-N 0 3 193.265 2.055 20 0 AEADHN FCCN1CCc2ccccc2CC1 759344529 582802997 /nfs/dbraw/zinc/80/29/97/582802997.db2.gz ZSXJBOVOEVSEFT-UHFFFAOYSA-N 0 3 193.265 2.057 20 0 AEADHN CCCN1CC[C@H](C(F)(F)F)C1 761059760 582809235 /nfs/dbraw/zinc/80/92/35/582809235.db2.gz YGIHTEAKXMAPJY-ZETCQYMHSA-N 0 3 181.201 2.281 20 0 AEADHN CCCN1CC[C@@H](C(F)(F)F)C1 761059732 582809464 /nfs/dbraw/zinc/80/94/64/582809464.db2.gz YGIHTEAKXMAPJY-SSDOTTSWSA-N 0 3 181.201 2.281 20 0 AEADHN CCCCCCN1CCN(C)[C@@H](C)C1 761069312 582809721 /nfs/dbraw/zinc/80/97/21/582809721.db2.gz JYSMUPWJPMIICV-LBPRGKRZSA-N 0 3 198.354 2.203 20 0 AEADHN FC(F)(F)[C@H]1CCN(CC2CC2)C1 761040017 582809788 /nfs/dbraw/zinc/80/97/88/582809788.db2.gz HAXRNNOQASHPFW-QMMMGPOBSA-N 0 3 193.212 2.281 20 0 AEADHN FC(F)(F)[C@@H]1CCN(CC2CC2)C1 761040005 582809884 /nfs/dbraw/zinc/80/98/84/582809884.db2.gz HAXRNNOQASHPFW-MRVPVSSYSA-N 0 3 193.212 2.281 20 0 AEADHN Cc1cnccc1CN(C)CCCF 887142453 582818536 /nfs/dbraw/zinc/81/85/36/582818536.db2.gz KSMOXADOQINKKQ-UHFFFAOYSA-N 0 3 196.269 2.181 20 0 AEADHN CC1=CCN(CCC(=O)C2CC2)CC1 767479299 582832200 /nfs/dbraw/zinc/83/22/00/582832200.db2.gz MINIIHQLBPFIMN-UHFFFAOYSA-N 0 3 193.290 2.008 20 0 AEADHN CCN(Cc1ccnn1CC)C(C)C 768237432 582834648 /nfs/dbraw/zinc/83/46/48/582834648.db2.gz RBEIJVZYODDJIE-UHFFFAOYSA-N 0 3 195.310 2.133 20 0 AEADHN c1cc(CN2CCCCCCC2)n[nH]1 768144455 582834931 /nfs/dbraw/zinc/83/49/31/582834931.db2.gz RECWHGVSTHLUPM-UHFFFAOYSA-N 0 3 193.294 2.176 20 0 AEADHN CCCCN1CCC[C@@H]1c1ncc[nH]1 774535685 582859308 /nfs/dbraw/zinc/85/93/08/582859308.db2.gz SKOCRYPDMHCQIB-SNVBAGLBSA-N 0 3 193.294 2.347 20 0 AEADHN CCCCN1CCC[C@H]1c1ncc[nH]1 774535684 582859585 /nfs/dbraw/zinc/85/95/85/582859585.db2.gz SKOCRYPDMHCQIB-JTQLQIEISA-N 0 3 193.294 2.347 20 0 AEADHN C=Cn1cc(CN(CC)C(C)C)cn1 774825580 582859741 /nfs/dbraw/zinc/85/97/41/582859741.db2.gz HVRBDHVDIKYXPQ-UHFFFAOYSA-N 0 3 193.294 2.214 20 0 AEADHN CC1=CCN(C[C@@H]2CCC=CO2)CC1 774904646 582861648 /nfs/dbraw/zinc/86/16/48/582861648.db2.gz ILUUAOQRVOXHBA-LBPRGKRZSA-N 0 3 193.290 2.331 20 0 AEADHN CC1=CCN(C[C@H]2CCC=CO2)CC1 774904645 582861923 /nfs/dbraw/zinc/86/19/23/582861923.db2.gz ILUUAOQRVOXHBA-GFCCVEGCSA-N 0 3 193.290 2.331 20 0 AEADHN C[C@@H]1CCCN1Cc1ccc(F)nc1 779156697 582871348 /nfs/dbraw/zinc/87/13/48/582871348.db2.gz ISNTWTOCFBJRIC-SECBINFHSA-N 0 3 194.253 2.205 20 0 AEADHN CCN(Cc1ccc(F)nc1)C1CC1 779153728 582871593 /nfs/dbraw/zinc/87/15/93/582871593.db2.gz JWZXORGTXJFRDA-UHFFFAOYSA-N 0 3 194.253 2.205 20 0 AEADHN CCN(Cc1ccc(F)nc1)C(C)C 779147649 582871642 /nfs/dbraw/zinc/87/16/42/582871642.db2.gz JROKUGFCMVABNI-UHFFFAOYSA-N 0 3 196.269 2.451 20 0 AEADHN CN(Cc1ccc(F)nc1)C1CCC1 779158486 582871657 /nfs/dbraw/zinc/87/16/57/582871657.db2.gz SFFVPONACYETEQ-UHFFFAOYSA-N 0 3 194.253 2.205 20 0 AEADHN CCN(Cc1cncc(F)c1)C(C)C 779148247 582871903 /nfs/dbraw/zinc/87/19/03/582871903.db2.gz ZVDDSSYILUZFBM-UHFFFAOYSA-N 0 3 196.269 2.451 20 0 AEADHN C[C@H]1CCCN1Cc1ccc(F)nc1 779156754 582871946 /nfs/dbraw/zinc/87/19/46/582871946.db2.gz ISNTWTOCFBJRIC-VIFPVBQESA-N 0 3 194.253 2.205 20 0 AEADHN CC(C)CN(C)Cc1ccc(F)nc1 779153629 582872010 /nfs/dbraw/zinc/87/20/10/582872010.db2.gz IXCUHVRVGAOHJW-UHFFFAOYSA-N 0 3 196.269 2.309 20 0 AEADHN C[C@@H]1CCN(Cc2ccc(F)nc2)C1 779155125 582872020 /nfs/dbraw/zinc/87/20/20/582872020.db2.gz SVGRFCDROZEJML-SECBINFHSA-N 0 3 194.253 2.063 20 0 AEADHN CCCCN(C)Cc1ccc(F)nc1 779147961 582872171 /nfs/dbraw/zinc/87/21/71/582872171.db2.gz IXSMJWLRSUWMTN-UHFFFAOYSA-N 0 3 196.269 2.453 20 0 AEADHN C[C@H]1CCN(Cc2ccc(F)nc2)C1 779155127 582872197 /nfs/dbraw/zinc/87/21/97/582872197.db2.gz SVGRFCDROZEJML-VIFPVBQESA-N 0 3 194.253 2.063 20 0 AEADHN CC[C@H](C)CN(C)Cc1cnoc1C 782492126 582884143 /nfs/dbraw/zinc/88/41/43/582884143.db2.gz LHOPVPJMFDHWOG-VIFPVBQESA-N 0 3 196.294 2.461 20 0 AEADHN Cc1oncc1CN(C)[C@@H](C)C(C)C 782474136 582884402 /nfs/dbraw/zinc/88/44/02/582884402.db2.gz HIFLNJNTXRWDGL-VIFPVBQESA-N 0 3 196.294 2.459 20 0 AEADHN Cc1oncc1CN(C)CCC(C)C 782481314 582884434 /nfs/dbraw/zinc/88/44/34/582884434.db2.gz FAJIVTYIFJDQGF-UHFFFAOYSA-N 0 3 196.294 2.461 20 0 AEADHN CC[C@@H](C)CN(C)Cc1cnoc1C 782492125 582884449 /nfs/dbraw/zinc/88/44/49/582884449.db2.gz LHOPVPJMFDHWOG-SECBINFHSA-N 0 3 196.294 2.461 20 0 AEADHN Cc1oncc1CN(C)CCC1CC1 782526183 582884490 /nfs/dbraw/zinc/88/44/90/582884490.db2.gz IXYPDMJYXKGWQO-UHFFFAOYSA-N 0 3 194.278 2.215 20 0 AEADHN CCN(Cc1cnoc1C)C1CCC1 782498139 582884568 /nfs/dbraw/zinc/88/45/68/582884568.db2.gz RJHZFMZSQRFSIF-UHFFFAOYSA-N 0 3 194.278 2.357 20 0 AEADHN Cc1oncc1CN(C)[C@H](C)C(C)C 782474132 582884574 /nfs/dbraw/zinc/88/45/74/582884574.db2.gz HIFLNJNTXRWDGL-SECBINFHSA-N 0 3 196.294 2.459 20 0 AEADHN CCN(Cc1cnoc1C)CC1CC1 782492132 582884637 /nfs/dbraw/zinc/88/46/37/582884637.db2.gz LKJUUQREEQUQJO-UHFFFAOYSA-N 0 3 194.278 2.215 20 0 AEADHN Cc1oncc1CN(C)CC(C)(C)C 782487596 582884860 /nfs/dbraw/zinc/88/48/60/582884860.db2.gz JYJRPGACBCFDOV-UHFFFAOYSA-N 0 3 196.294 2.461 20 0 AEADHN CCCN(Cc1cnoc1C)C1CC1 782490076 582884878 /nfs/dbraw/zinc/88/48/78/582884878.db2.gz ZFFKYQFUHOJZFF-UHFFFAOYSA-N 0 3 194.278 2.357 20 0 AEADHN CCCCN(C)Cc1ccc(F)cn1 787144125 582897824 /nfs/dbraw/zinc/89/78/24/582897824.db2.gz GBJLAJBYGJLYPA-UHFFFAOYSA-N 0 3 196.269 2.453 20 0 AEADHN CCCN(CC)Cc1ccc(F)cn1 787200128 582899320 /nfs/dbraw/zinc/89/93/20/582899320.db2.gz POUDPGQAWZTPPT-UHFFFAOYSA-N 0 3 196.269 2.453 20 0 AEADHN CCN(Cc1ccc(F)cn1)C(C)C 787184025 582899357 /nfs/dbraw/zinc/89/93/57/582899357.db2.gz PNJYJXDRBHHKBW-UHFFFAOYSA-N 0 3 196.269 2.451 20 0 AEADHN CC(C)CN(C)Cc1ccc(F)cn1 787202722 582899845 /nfs/dbraw/zinc/89/98/45/582899845.db2.gz XRATZNIJFDIDDS-UHFFFAOYSA-N 0 3 196.269 2.309 20 0 AEADHN CCC(=O)CCN1CCC(C)=C(C)C1 796592799 582924770 /nfs/dbraw/zinc/92/47/70/582924770.db2.gz IJYIXXVFUQLFOF-UHFFFAOYSA-N 0 3 195.306 2.398 20 0 AEADHN CCCCN(Cc1c[nH]cn1)C1CC1 796460059 582924879 /nfs/dbraw/zinc/92/48/79/582924879.db2.gz ZXNHEKQPGADNLU-UHFFFAOYSA-N 0 3 193.294 2.174 20 0 AEADHN CCCCN(Cc1cnc[nH]1)C1CC1 796460059 582924881 /nfs/dbraw/zinc/92/48/81/582924881.db2.gz ZXNHEKQPGADNLU-UHFFFAOYSA-N 0 3 193.294 2.174 20 0 AEADHN CCN(CCC1CC1)Cc1c[nH]cn1 796456080 582924922 /nfs/dbraw/zinc/92/49/22/582924922.db2.gz JILOCBRKMOIDOQ-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CCN(CCC1CC1)Cc1cnc[nH]1 796456080 582924924 /nfs/dbraw/zinc/92/49/24/582924924.db2.gz JILOCBRKMOIDOQ-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CC(C)N(Cc1c[nH]cn1)CC1CC1 796447025 582925134 /nfs/dbraw/zinc/92/51/34/582925134.db2.gz HTZYLNIMYWUZMQ-UHFFFAOYSA-N 0 3 193.294 2.030 20 0 AEADHN CC(C)CN(Cc1c[nH]cn1)C1CC1 796457995 582925527 /nfs/dbraw/zinc/92/55/27/582925527.db2.gz STEJKMIRKLMFJX-UHFFFAOYSA-N 0 3 193.294 2.030 20 0 AEADHN CC(C)CN(Cc1cnc[nH]1)C1CC1 796457995 582925528 /nfs/dbraw/zinc/92/55/28/582925528.db2.gz STEJKMIRKLMFJX-UHFFFAOYSA-N 0 3 193.294 2.030 20 0 AEADHN CC1=CCCN(CCC(=O)C2CC2)C1 797996594 582929143 /nfs/dbraw/zinc/92/91/43/582929143.db2.gz KJRBKVKANFOGJB-UHFFFAOYSA-N 0 3 193.290 2.008 20 0 AEADHN CC1=CCCN(CCC(=O)C(C)C)C1 808756733 582959877 /nfs/dbraw/zinc/95/98/77/582959877.db2.gz UTJKOKUBARMACL-UHFFFAOYSA-N 0 3 195.306 2.254 20 0 AEADHN CC1=CCN(CCC(=O)C(C)C)CC1 808740641 582959787 /nfs/dbraw/zinc/95/97/87/582959787.db2.gz VEHVFIBZCYODQC-UHFFFAOYSA-N 0 3 195.306 2.254 20 0 AEADHN C[C@H]1CN(CCCC2CC2)C[C@@H](C)O1 813334243 582974527 /nfs/dbraw/zinc/97/45/27/582974527.db2.gz AWOGXMYXVPLUEU-PHIMTYICSA-N 0 3 197.322 2.286 20 0 AEADHN CCc1nocc1CN(CC)C(C)C 816484025 582985755 /nfs/dbraw/zinc/98/57/55/582985755.db2.gz NHRTWYXXMYXHNQ-UHFFFAOYSA-N 0 3 196.294 2.467 20 0 AEADHN CCN(Cc1conc1C)C(C)C 816484022 582986008 /nfs/dbraw/zinc/98/60/08/582986008.db2.gz NFZGDRFBGMXAJD-UHFFFAOYSA-N 0 3 182.267 2.213 20 0 AEADHN CN(CCF)CCC(C)(C)C 816639608 582987541 /nfs/dbraw/zinc/98/75/41/582987541.db2.gz YJMQYPYENKYSBI-UHFFFAOYSA-N 0 3 161.264 2.324 20 0 AEADHN FCCN1CC[C@@H](C2CCCC2)C1 817282886 582993820 /nfs/dbraw/zinc/99/38/20/582993820.db2.gz MCYFXLAUPAFVRP-LLVKDONJSA-N 0 3 185.286 2.468 20 0 AEADHN FCCN1CC[C@H](C2CCCC2)C1 817282888 582994328 /nfs/dbraw/zinc/99/43/28/582994328.db2.gz MCYFXLAUPAFVRP-NSHDSACASA-N 0 3 185.286 2.468 20 0 AEADHN CCC1(NCc2ccc(F)nc2)CC1 824620469 583045828 /nfs/dbraw/zinc/04/58/28/583045828.db2.gz QEFRNMMBLFFZQV-UHFFFAOYSA-N 0 3 194.253 2.253 20 0 AEADHN FC1(F)CC(CN2CC=CCC2)C1 828745406 583061178 /nfs/dbraw/zinc/06/11/78/583061178.db2.gz USDGHLMKWUCXRZ-UHFFFAOYSA-N 0 3 187.233 2.294 20 0 AEADHN CN(C/C=C\Cl)C(C)(C)C 830541604 583068494 /nfs/dbraw/zinc/06/84/94/583068494.db2.gz PBYQNDJYSIMEMH-WAYWQWQTSA-N 0 3 161.676 2.469 20 0 AEADHN CN(C/C=C/Cl)C(C)(C)C 830541603 583068592 /nfs/dbraw/zinc/06/85/92/583068592.db2.gz PBYQNDJYSIMEMH-AATRIKPKSA-N 0 3 161.676 2.469 20 0 AEADHN CS[C@@H]1CCN(C/C=C\Cl)C1 830876788 583070513 /nfs/dbraw/zinc/07/05/13/583070513.db2.gz AAYMCCNWVOTZOE-DLRBJTRDSA-N 0 3 191.727 2.176 20 0 AEADHN CS[C@@H]1CCN(C/C=C/Cl)C1 830876777 583070682 /nfs/dbraw/zinc/07/06/82/583070682.db2.gz AAYMCCNWVOTZOE-BYDTYLDUSA-N 0 3 191.727 2.176 20 0 AEADHN CS[C@H]1CCN(C/C=C/Cl)C1 830876790 583070897 /nfs/dbraw/zinc/07/08/97/583070897.db2.gz AAYMCCNWVOTZOE-KHVHVRLGSA-N 0 3 191.727 2.176 20 0 AEADHN CS[C@H]1CCN(C/C=C\Cl)C1 830876791 583071051 /nfs/dbraw/zinc/07/10/51/583071051.db2.gz AAYMCCNWVOTZOE-LTMVXPGCSA-N 0 3 191.727 2.176 20 0 AEADHN CCC1(N[C@@H](C)c2ncc[nH]2)CC1 834875129 583087271 /nfs/dbraw/zinc/08/72/71/583087271.db2.gz KRCSOBBWICADQJ-QMMMGPOBSA-N 0 3 179.267 2.003 20 0 AEADHN CCC1(N[C@H](C)c2ncc[nH]2)CC1 834875065 583087486 /nfs/dbraw/zinc/08/74/86/583087486.db2.gz KRCSOBBWICADQJ-MRVPVSSYSA-N 0 3 179.267 2.003 20 0 AEADHN CC[C@@H]1C[C@H]1CN[C@H](C)c1ncc[nH]1 834884446 583087501 /nfs/dbraw/zinc/08/75/01/583087501.db2.gz ZKAPSFNNTDXDMZ-BBBLOLIVSA-N 0 3 193.294 2.106 20 0 AEADHN CC[C@@H]1C[C@H]1CN[C@@H](C)c1ncc[nH]1 834884444 583087597 /nfs/dbraw/zinc/08/75/97/583087597.db2.gz ZKAPSFNNTDXDMZ-AEJSXWLSSA-N 0 3 193.294 2.106 20 0 AEADHN CCC1CN(C[C@@H]2CCC=CO2)C1 835075433 583094800 /nfs/dbraw/zinc/09/48/00/583094800.db2.gz TXWZYYNCEBFCKQ-NSHDSACASA-N 0 3 181.279 2.021 20 0 AEADHN CCC1CN(C[C@H]2CCC=CO2)C1 835075431 583095099 /nfs/dbraw/zinc/09/50/99/583095099.db2.gz TXWZYYNCEBFCKQ-LLVKDONJSA-N 0 3 181.279 2.021 20 0 AEADHN CCN(Cc1ccc(C)nn1)C(C)C 840910347 583110773 /nfs/dbraw/zinc/11/07/73/583110773.db2.gz RIACIUNQLZDNLK-UHFFFAOYSA-N 0 3 193.294 2.015 20 0 AEADHN CCC(C)(C)NCc1ccc(C)nn1 840886794 583111064 /nfs/dbraw/zinc/11/10/64/583111064.db2.gz CXRGYVWIXXIHKJ-UHFFFAOYSA-N 0 3 193.294 2.063 20 0 AEADHN CCCN(CC)Cc1ccc(C)nn1 840907854 583111107 /nfs/dbraw/zinc/11/11/07/583111107.db2.gz KOVXWHNSDGTXKQ-UHFFFAOYSA-N 0 3 193.294 2.017 20 0 AEADHN CCCCN(C)Cc1ccc(C)nn1 840907540 583111544 /nfs/dbraw/zinc/11/15/44/583111544.db2.gz GQMKZTUSZXESLA-UHFFFAOYSA-N 0 3 193.294 2.017 20 0 AEADHN CCN(Cc1cncn1CC)C(C)C 841830202 583118397 /nfs/dbraw/zinc/11/83/97/583118397.db2.gz VPUMZKSFXKWXPS-UHFFFAOYSA-N 0 3 195.310 2.133 20 0 AEADHN COCCCCN(C)C/C=C/Cl 842173899 583121812 /nfs/dbraw/zinc/12/18/12/583121812.db2.gz XESRJGFNIUZLPY-AATRIKPKSA-N 0 3 191.702 2.097 20 0 AEADHN COCCCCN(C)C/C=C\Cl 842173900 583121836 /nfs/dbraw/zinc/12/18/36/583121836.db2.gz XESRJGFNIUZLPY-WAYWQWQTSA-N 0 3 191.702 2.097 20 0 AEADHN CN(Cc1ccc(F)nc1)C(C)(C)C 843431214 583133237 /nfs/dbraw/zinc/13/32/37/583133237.db2.gz OPTQEWONFQCDOO-UHFFFAOYSA-N 0 3 196.269 2.451 20 0 AEADHN FCCN1CCC2(CC1)CC2(F)F 844408262 583141383 /nfs/dbraw/zinc/14/13/83/583141383.db2.gz RYXQQXRUTPIOEX-UHFFFAOYSA-N 0 3 193.212 2.077 20 0 AEADHN CC(C)=CCN1C[C@@H]2[C@H](C1)C2(F)F 844455349 583141407 /nfs/dbraw/zinc/14/14/07/583141407.db2.gz WYNDQNDRRLGTHL-DTORHVGOSA-N 0 3 187.233 2.150 20 0 AEADHN CCCN(CCF)C(C)C 847025224 583161340 /nfs/dbraw/zinc/16/13/40/583161340.db2.gz IMDPNAGFRGERCE-UHFFFAOYSA-N 0 3 147.237 2.076 20 0 AEADHN CCCN(Cc1cnccn1)C(C)C 848924177 583171169 /nfs/dbraw/zinc/17/11/69/583171169.db2.gz WQRZGVVFLQOWFP-UHFFFAOYSA-N 0 3 193.294 2.097 20 0 AEADHN Fc1ccc(CN[C@H]2C=CCC2)cn1 850358933 583185313 /nfs/dbraw/zinc/18/53/13/583185313.db2.gz PLUBBSVMEYXHDZ-JTQLQIEISA-N 0 3 192.237 2.029 20 0 AEADHN Fc1ccc(CN[C@@H]2C=CCC2)cn1 850358934 583185699 /nfs/dbraw/zinc/18/56/99/583185699.db2.gz PLUBBSVMEYXHDZ-SNVBAGLBSA-N 0 3 192.237 2.029 20 0 AEADHN Cc1n[nH]cc1[C@@H](C)N[C@@H]1C=CCC1 850506775 583186085 /nfs/dbraw/zinc/18/60/85/583186085.db2.gz BTPIVJLBVHJVQA-PSASIEDQSA-N 0 3 191.278 2.087 20 0 AEADHN Cc1n[nH]cc1[C@@H](C)N[C@H]1C=CCC1 850506776 583186137 /nfs/dbraw/zinc/18/61/37/583186137.db2.gz BTPIVJLBVHJVQA-SCZZXKLOSA-N 0 3 191.278 2.087 20 0 AEADHN Cc1n[nH]cc1[C@H](C)N[C@@H]1C=CCC1 850506777 583186172 /nfs/dbraw/zinc/18/61/72/583186172.db2.gz BTPIVJLBVHJVQA-WCBMZHEXSA-N 0 3 191.278 2.087 20 0 AEADHN Cc1n[nH]cc1[C@H](C)N[C@H]1C=CCC1 850506778 583186516 /nfs/dbraw/zinc/18/65/16/583186516.db2.gz BTPIVJLBVHJVQA-WPRPVWTQSA-N 0 3 191.278 2.087 20 0 AEADHN CCN(CC)Cc1cccc(F)n1 851719648 583188857 /nfs/dbraw/zinc/18/88/57/583188857.db2.gz OLTWWSIGECUCHQ-UHFFFAOYSA-N 0 3 182.242 2.063 20 0 AEADHN CCCCN(C)Cc1cccc(F)n1 851713953 583188972 /nfs/dbraw/zinc/18/89/72/583188972.db2.gz MGGFEWFMFZTWMB-UHFFFAOYSA-N 0 3 196.269 2.453 20 0 AEADHN CCCN(C)Cc1cccc(F)n1 851739897 583191876 /nfs/dbraw/zinc/19/18/76/583191876.db2.gz QZTXWJREMRZXNB-UHFFFAOYSA-N 0 3 182.242 2.063 20 0 AEADHN CN(Cc1cccc(F)n1)CC1CC1 851731194 583191951 /nfs/dbraw/zinc/19/19/51/583191951.db2.gz YQILQAWIJDKUFO-UHFFFAOYSA-N 0 3 194.253 2.063 20 0 AEADHN CCCN(CC)Cc1cccc(F)n1 851738593 583191976 /nfs/dbraw/zinc/19/19/76/583191976.db2.gz LSVYNDSGJKXRJM-UHFFFAOYSA-N 0 3 196.269 2.453 20 0 AEADHN C[C@@H]1CCN(Cc2cccc(F)n2)C1 851746665 583193155 /nfs/dbraw/zinc/19/31/55/583193155.db2.gz VXKFPYLDRQFRMA-SECBINFHSA-N 0 3 194.253 2.063 20 0 AEADHN C[C@H]1CCN(Cc2cccc(F)n2)C1 851746666 583193619 /nfs/dbraw/zinc/19/36/19/583193619.db2.gz VXKFPYLDRQFRMA-VIFPVBQESA-N 0 3 194.253 2.063 20 0 AEADHN CN(Cc1cccc(F)n1)C1CCC1 851786026 583194460 /nfs/dbraw/zinc/19/44/60/583194460.db2.gz VQUSKMQJTFEVGI-UHFFFAOYSA-N 0 3 194.253 2.205 20 0 AEADHN C[C@@H]1CCCN1Cc1cccc(F)n1 851792824 583194830 /nfs/dbraw/zinc/19/48/30/583194830.db2.gz PHXMQFNDXVGMAD-SECBINFHSA-N 0 3 194.253 2.205 20 0 AEADHN C[C@H]1CCCN1Cc1cccc(F)n1 851792825 583195286 /nfs/dbraw/zinc/19/52/86/583195286.db2.gz PHXMQFNDXVGMAD-VIFPVBQESA-N 0 3 194.253 2.205 20 0 AEADHN CCC(CC)(CC)NCc1cnon1 851849502 583197515 /nfs/dbraw/zinc/19/75/15/583197515.db2.gz XXKRTSGAOMQUQS-UHFFFAOYSA-N 0 3 197.282 2.128 20 0 AEADHN CC[C@H](C)N(C)Cc1cccc(F)n1 851836672 583198047 /nfs/dbraw/zinc/19/80/47/583198047.db2.gz WTUIXCUOBIRBOG-VIFPVBQESA-N 0 3 196.269 2.451 20 0 AEADHN CC[C@@H](C)N(C)Cc1cccc(F)n1 851836671 583198148 /nfs/dbraw/zinc/19/81/48/583198148.db2.gz WTUIXCUOBIRBOG-SECBINFHSA-N 0 3 196.269 2.451 20 0 AEADHN CCC(=O)CCN1C[C@@H]2CCCC[C@@H]21 852219692 583206085 /nfs/dbraw/zinc/20/60/85/583206085.db2.gz RZMAICXBCPZSMB-JQWIXIFHSA-N 0 3 195.306 2.230 20 0 AEADHN CC[C@H](C)N(CC)CCF 852290887 583206438 /nfs/dbraw/zinc/20/64/38/583206438.db2.gz NBDSYXGBUYOUGA-QMMMGPOBSA-N 0 3 147.237 2.076 20 0 AEADHN CC[C@@H](C)N(CC)CCF 852290877 583206539 /nfs/dbraw/zinc/20/65/39/583206539.db2.gz NBDSYXGBUYOUGA-MRVPVSSYSA-N 0 3 147.237 2.076 20 0 AEADHN CCCCCCN(C)Cc1cnc[nH]1 852286434 583206554 /nfs/dbraw/zinc/20/65/54/583206554.db2.gz DFSKAWAFIVOBIT-UHFFFAOYSA-N 0 3 195.310 2.422 20 0 AEADHN CC[C@@H]1CC[C@@H](C)N(CCF)C1 852592020 583208500 /nfs/dbraw/zinc/20/85/00/583208500.db2.gz FWJBQEXCORPJEQ-NXEZZACHSA-N 0 3 173.275 2.466 20 0 AEADHN CC[C@@H](NCc1cnoc1C)C1CC1 852554731 583208589 /nfs/dbraw/zinc/20/85/89/583208589.db2.gz BWNZLVRATCNCMP-LLVKDONJSA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@H](NCc1cnoc1C)C1CC1 852554733 583209262 /nfs/dbraw/zinc/20/92/62/583209262.db2.gz BWNZLVRATCNCMP-NSHDSACASA-N 0 3 194.278 2.261 20 0 AEADHN CC1C[C@@H]2CC[C@H](C1)N2CCF 852700366 583210369 /nfs/dbraw/zinc/21/03/69/583210369.db2.gz MYLKXWYBXQANJM-PBINXNQUSA-N 0 3 171.259 2.219 20 0 AEADHN CC(C)N1CCC(F)(F)CC1 114622690 583258972 /nfs/dbraw/zinc/25/89/72/583258972.db2.gz HRQBLYONPKWINY-UHFFFAOYSA-N 0 3 163.211 2.126 20 0 AEADHN CC1CC(CN[C@@H](C)c2ncc[nH]2)C1 857082038 583260718 /nfs/dbraw/zinc/26/07/18/583260718.db2.gz KMTBSPUHKVERBC-KYHHOPLUSA-N 0 3 193.294 2.106 20 0 AEADHN CC1CC(CN[C@H](C)c2ncc[nH]2)C1 857082037 583260899 /nfs/dbraw/zinc/26/08/99/583260899.db2.gz KMTBSPUHKVERBC-HWOCKDDLSA-N 0 3 193.294 2.106 20 0 AEADHN c1cc2c(cn1)CN(C1CCCC1)C2 857879017 583267342 /nfs/dbraw/zinc/26/73/42/583267342.db2.gz RGQMDLHEIJPKGN-UHFFFAOYSA-N 0 3 188.274 2.340 20 0 AEADHN CC(C)CCN1CCC[C@H](F)C1 200099826 583268250 /nfs/dbraw/zinc/26/82/50/583268250.db2.gz LPKCQUDRKBODAW-JTQLQIEISA-N 0 3 173.275 2.466 20 0 AEADHN CCC[C@@H](C)Nc1ccnc(CO)c1 858335633 583269744 /nfs/dbraw/zinc/26/97/44/583269744.db2.gz BCWQEDOKVQEVKO-SECBINFHSA-N 0 3 194.278 2.174 20 0 AEADHN CCC[C@H](C)Nc1ccnc(CO)c1 858335634 583270127 /nfs/dbraw/zinc/27/01/27/583270127.db2.gz BCWQEDOKVQEVKO-VIFPVBQESA-N 0 3 194.278 2.174 20 0 AEADHN CC(C)CCNc1ccnc(CO)c1 858309747 583270342 /nfs/dbraw/zinc/27/03/42/583270342.db2.gz WHNAAFGKXJXQMB-UHFFFAOYSA-N 0 3 194.278 2.032 20 0 AEADHN CCC(CC)Nc1ccnc(CO)c1 858310259 583270408 /nfs/dbraw/zinc/27/04/08/583270408.db2.gz HISBUYWEYOPTID-UHFFFAOYSA-N 0 3 194.278 2.174 20 0 AEADHN CCCCCNc1ccnc(CO)c1 858308507 583270429 /nfs/dbraw/zinc/27/04/29/583270429.db2.gz FZOMGOLKCSDSKS-UHFFFAOYSA-N 0 3 194.278 2.176 20 0 AEADHN CC(C)C1CCN(CCF)CC1 200798535 583279281 /nfs/dbraw/zinc/27/92/81/583279281.db2.gz MTVXXUCGFQQKSB-UHFFFAOYSA-N 0 3 173.275 2.324 20 0 AEADHN C[C@H](NCCC(C)(C)C)c1ncc[nH]1 117948508 583290862 /nfs/dbraw/zinc/29/08/62/583290862.db2.gz KSGJYPRNKGLEKQ-VIFPVBQESA-N 0 3 195.310 2.497 20 0 AEADHN C[C@@H](NCCC(C)(C)C)c1ncc[nH]1 117948505 583290943 /nfs/dbraw/zinc/29/09/43/583290943.db2.gz KSGJYPRNKGLEKQ-SECBINFHSA-N 0 3 195.310 2.497 20 0 AEADHN CC(C)N1CC[C@H](C(F)(F)F)C1 202952271 583296776 /nfs/dbraw/zinc/29/67/76/583296776.db2.gz AJNUIIVPIGDJDY-ZETCQYMHSA-N 0 3 181.201 2.279 20 0 AEADHN CC(C)N1CC[C@@H](C(F)(F)F)C1 202952286 583297202 /nfs/dbraw/zinc/29/72/02/583297202.db2.gz AJNUIIVPIGDJDY-SSDOTTSWSA-N 0 3 181.201 2.279 20 0 AEADHN CC(C)SCSCCN(C)C 863309483 583308202 /nfs/dbraw/zinc/30/82/02/583308202.db2.gz WQCYPTFGRSDSHS-UHFFFAOYSA-N 0 3 193.381 2.380 20 0 AEADHN CN(C)CCSCCCC1CC1 865359951 583324269 /nfs/dbraw/zinc/32/42/69/583324269.db2.gz ZUXMTONGVGJQBP-UHFFFAOYSA-N 0 3 187.352 2.471 20 0 AEADHN Cc1cccc(C[C@H](C)NCCF)c1 866353448 583331328 /nfs/dbraw/zinc/33/13/28/583331328.db2.gz SUKFCQIVIWAQLW-NSHDSACASA-N 0 3 195.281 2.485 20 0 AEADHN Cc1cccc(C[C@@H](C)NCCF)c1 866353439 583331370 /nfs/dbraw/zinc/33/13/70/583331370.db2.gz SUKFCQIVIWAQLW-LLVKDONJSA-N 0 3 195.281 2.485 20 0 AEADHN C[C@H]1CCCN(C/C=C\Cl)C1 207165919 583336060 /nfs/dbraw/zinc/33/60/60/583336060.db2.gz NSCAUIFXDQGCGR-LVCFMKKZSA-N 0 3 173.687 2.471 20 0 AEADHN CCN(CC)C/C=C\Cl 207264797 583336129 /nfs/dbraw/zinc/33/61/29/583336129.db2.gz INYDDUCHULCIBX-WAYWQWQTSA-N 0 3 147.649 2.081 20 0 AEADHN C[C@@H]1CCCN(C/C=C\Cl)C1 207165876 583336563 /nfs/dbraw/zinc/33/65/63/583336563.db2.gz NSCAUIFXDQGCGR-AZVKUDOFSA-N 0 3 173.687 2.471 20 0 AEADHN c1cc(CNC23CCC(CC2)C3)no1 873104725 583370419 /nfs/dbraw/zinc/37/04/19/583370419.db2.gz QOXOEVKFRQIDIN-UHFFFAOYSA-N 0 3 192.262 2.097 20 0 AEADHN CCNCc1c(F)cccc1OCC 873008244 583370551 /nfs/dbraw/zinc/37/05/51/583370551.db2.gz QBIGFUSMVLICCB-UHFFFAOYSA-N 0 3 197.253 2.334 20 0 AEADHN CC(C)C[C@H](C)N[C@@H](C)c1ncc[nH]1 124714402 583376842 /nfs/dbraw/zinc/37/68/42/583376842.db2.gz QHMHJGCROUBZNE-UWVGGRQHSA-N 0 3 195.310 2.495 20 0 AEADHN CC[C@H](N[C@H](C)c1ncc[nH]1)C1CC1 124703061 583377063 /nfs/dbraw/zinc/37/70/63/583377063.db2.gz CUEJFGHEUPRFQC-SCZZXKLOSA-N 0 3 193.294 2.249 20 0 AEADHN CC[C@@H](N[C@H](C)c1ncc[nH]1)C1CC1 124703227 583377291 /nfs/dbraw/zinc/37/72/91/583377291.db2.gz CUEJFGHEUPRFQC-PSASIEDQSA-N 0 3 193.294 2.249 20 0 AEADHN CCC[C@@H](C)N[C@H](C)c1ncc[nH]1 124678816 583377411 /nfs/dbraw/zinc/37/74/11/583377411.db2.gz FVPYTNCCZRBNAS-RKDXNWHRSA-N 0 3 181.283 2.249 20 0 AEADHN CC(C)C[C@H](C)N[C@H](C)c1ncc[nH]1 124714849 583377433 /nfs/dbraw/zinc/37/74/33/583377433.db2.gz QHMHJGCROUBZNE-VHSXEESVSA-N 0 3 195.310 2.495 20 0 AEADHN CCC[C@H](C)N[C@@H](C)c1ncc[nH]1 124678658 583377578 /nfs/dbraw/zinc/37/75/78/583377578.db2.gz FVPYTNCCZRBNAS-IUCAKERBSA-N 0 3 181.283 2.249 20 0 AEADHN CCC[C@H](C)N[C@H](C)c1ncc[nH]1 124679030 583377637 /nfs/dbraw/zinc/37/76/37/583377637.db2.gz FVPYTNCCZRBNAS-DTWKUNHWSA-N 0 3 181.283 2.249 20 0 AEADHN CC[C@@H](N[C@@H](C)c1ncc[nH]1)C1CC1 124702857 583377653 /nfs/dbraw/zinc/37/76/53/583377653.db2.gz CUEJFGHEUPRFQC-WCBMZHEXSA-N 0 3 193.294 2.249 20 0 AEADHN CC[C@H](N[C@@H](C)c1ncc[nH]1)C1CC1 124702617 583377683 /nfs/dbraw/zinc/37/76/83/583377683.db2.gz CUEJFGHEUPRFQC-WPRPVWTQSA-N 0 3 193.294 2.249 20 0 AEADHN CCC[C@@H](C)N[C@@H](C)c1ncc[nH]1 124678483 583377710 /nfs/dbraw/zinc/37/77/10/583377710.db2.gz FVPYTNCCZRBNAS-BDAKNGLRSA-N 0 3 181.283 2.249 20 0 AEADHN CC(C)C[C@@H](C)N[C@H](C)c1ncc[nH]1 124714624 583377769 /nfs/dbraw/zinc/37/77/69/583377769.db2.gz QHMHJGCROUBZNE-NXEZZACHSA-N 0 3 195.310 2.495 20 0 AEADHN CC(C)C[C@@H](C)N[C@@H](C)c1ncc[nH]1 124714213 583377866 /nfs/dbraw/zinc/37/78/66/583377866.db2.gz QHMHJGCROUBZNE-ZJUUUORDSA-N 0 3 195.310 2.495 20 0 AEADHN CCCCCN[C@@H](C)c1ncc[nH]1 124735470 583378536 /nfs/dbraw/zinc/37/85/36/583378536.db2.gz TZBRXEUSILHTMS-VIFPVBQESA-N 0 3 181.283 2.251 20 0 AEADHN CCCCCN[C@H](C)c1ncc[nH]1 124735665 583378598 /nfs/dbraw/zinc/37/85/98/583378598.db2.gz TZBRXEUSILHTMS-SECBINFHSA-N 0 3 181.283 2.251 20 0 AEADHN C[C@H](N[C@@H]1CCC[C@H]1C)c1ncc[nH]1 124783314 583378946 /nfs/dbraw/zinc/37/89/46/583378946.db2.gz AIUIQRZGLSRALS-KXUCPTDWSA-N 0 3 193.294 2.249 20 0 AEADHN CCC(CC)CN[C@@H](C)c1ncc[nH]1 124781882 583378964 /nfs/dbraw/zinc/37/89/64/583378964.db2.gz PJHKKKJSNKDNHA-VIFPVBQESA-N 0 3 195.310 2.497 20 0 AEADHN C[C@H](NCC1CCCC1)c1ncc[nH]1 124826548 583379054 /nfs/dbraw/zinc/37/90/54/583379054.db2.gz MXVYDXWSIKXRJI-VIFPVBQESA-N 0 3 193.294 2.251 20 0 AEADHN C[C@H](N[C@@H]1CC[C@@H](C)C1)c1ncc[nH]1 124819248 583379199 /nfs/dbraw/zinc/37/91/99/583379199.db2.gz PFUXZVRMGLADEQ-KXUCPTDWSA-N 0 3 193.294 2.249 20 0 AEADHN CCC(CC)N[C@@H](C)c1ncc[nH]1 124795291 583379398 /nfs/dbraw/zinc/37/93/98/583379398.db2.gz FTMGQZWTHPNNEO-QMMMGPOBSA-N 0 3 181.283 2.249 20 0 AEADHN C[C@H](N[C@@H]1CCC[C@@H]1C)c1ncc[nH]1 124783572 583379430 /nfs/dbraw/zinc/37/94/30/583379430.db2.gz AIUIQRZGLSRALS-LPEHRKFASA-N 0 3 193.294 2.249 20 0 AEADHN C[C@H](N[C@H]1CC[C@@H](C)C1)c1ncc[nH]1 124818877 583379437 /nfs/dbraw/zinc/37/94/37/583379437.db2.gz PFUXZVRMGLADEQ-UTLUCORTSA-N 0 3 193.294 2.249 20 0 AEADHN CCC(CC)CN[C@H](C)c1ncc[nH]1 124782104 583379502 /nfs/dbraw/zinc/37/95/02/583379502.db2.gz PJHKKKJSNKDNHA-SECBINFHSA-N 0 3 195.310 2.497 20 0 AEADHN C[C@H](N[C@H]1CCC[C@@H]1C)c1ncc[nH]1 124783111 583379515 /nfs/dbraw/zinc/37/95/15/583379515.db2.gz AIUIQRZGLSRALS-GUBZILKMSA-N 0 3 193.294 2.249 20 0 AEADHN C[C@@H](NCC1CCCC1)c1ncc[nH]1 124826748 583379770 /nfs/dbraw/zinc/37/97/70/583379770.db2.gz MXVYDXWSIKXRJI-SECBINFHSA-N 0 3 193.294 2.251 20 0 AEADHN CCC(CC)N[C@H](C)c1ncc[nH]1 124795552 583379877 /nfs/dbraw/zinc/37/98/77/583379877.db2.gz FTMGQZWTHPNNEO-MRVPVSSYSA-N 0 3 181.283 2.249 20 0 AEADHN c1ccc2ncc(CNC3CC3)cc2c1 20412739 583380340 /nfs/dbraw/zinc/38/03/40/583380340.db2.gz FYTXBBJFRZTECT-UHFFFAOYSA-N 0 3 198.269 2.487 20 0 AEADHN Fc1cccnc1CNC1CCCC1 125770547 583386030 /nfs/dbraw/zinc/38/60/30/583386030.db2.gz KNFQFMPIKXGGNQ-UHFFFAOYSA-N 0 3 194.253 2.253 20 0 AEADHN CCCC(C)(C)NCc1cnccn1 126057639 583387971 /nfs/dbraw/zinc/38/79/71/583387971.db2.gz KQNCKXGGZDYWBB-UHFFFAOYSA-N 0 3 193.294 2.145 20 0 AEADHN CCNCc1c(C)cccc1OC 876878344 583389589 /nfs/dbraw/zinc/38/95/89/583389589.db2.gz ZZVUWPFBUUFFBA-UHFFFAOYSA-N 0 3 179.263 2.113 20 0 AEADHN CC[C@@H](C)NCc1ccc(Cl)nn1 876888720 583389736 /nfs/dbraw/zinc/38/97/36/583389736.db2.gz WBUGWZOWOXBWGO-SSDOTTSWSA-N 0 3 199.685 2.018 20 0 AEADHN CCCCNCc1ccc(Cl)nn1 876907814 583389806 /nfs/dbraw/zinc/38/98/06/583389806.db2.gz WNORIRJTVUULCG-UHFFFAOYSA-N 0 3 199.685 2.020 20 0 AEADHN CC[C@H](C)NCc1ccc(Cl)nn1 876888721 583390072 /nfs/dbraw/zinc/39/00/72/583390072.db2.gz WBUGWZOWOXBWGO-ZETCQYMHSA-N 0 3 199.685 2.018 20 0 AEADHN Nc1c(Cl)cccc1CNC1CC1 876909218 583390102 /nfs/dbraw/zinc/39/01/02/583390102.db2.gz YBHRDMIWVWZFOT-UHFFFAOYSA-N 0 3 196.681 2.174 20 0 AEADHN CC(C)(C)NCc1ccc(Cl)nn1 877145529 583392537 /nfs/dbraw/zinc/39/25/37/583392537.db2.gz JKASYKCJWXMJTM-UHFFFAOYSA-N 0 3 199.685 2.018 20 0 AEADHN CC[C@H](C)[C@H](CN1CC2(CC2)C1)OC 877556417 583395167 /nfs/dbraw/zinc/39/51/67/583395167.db2.gz GAPVHZNLWGIUMZ-QWRGUYRKSA-N 0 3 197.322 2.143 20 0 AEADHN CC[C@@H](C)[C@@H](CN1CC2(CC2)C1)OC 877556415 583395250 /nfs/dbraw/zinc/39/52/50/583395250.db2.gz GAPVHZNLWGIUMZ-GHMZBOCLSA-N 0 3 197.322 2.143 20 0 AEADHN CC[C@H](C)[C@@H](CN1CC2(CC2)C1)OC 877556418 583395697 /nfs/dbraw/zinc/39/56/97/583395697.db2.gz GAPVHZNLWGIUMZ-WDEREUQCSA-N 0 3 197.322 2.143 20 0 AEADHN CC[C@@H](C)[C@H](CN1CC2(CC2)C1)OC 877556416 583395901 /nfs/dbraw/zinc/39/59/01/583395901.db2.gz GAPVHZNLWGIUMZ-MNOVXSKESA-N 0 3 197.322 2.143 20 0 AEADHN CC1(C)CN(C[C@H]2CCC=CO2)C1 877717585 583397406 /nfs/dbraw/zinc/39/74/06/583397406.db2.gz LZDAVHBMNYXHGI-SNVBAGLBSA-N 0 3 181.279 2.021 20 0 AEADHN CC1(C)CN(C[C@@H]2CCC=CO2)C1 877717584 583397601 /nfs/dbraw/zinc/39/76/01/583397601.db2.gz LZDAVHBMNYXHGI-JTQLQIEISA-N 0 3 181.279 2.021 20 0 AEADHN CC1(C)CN(CCCC2CC2)CCO1 877897791 583398518 /nfs/dbraw/zinc/39/85/18/583398518.db2.gz QLJKCENDHFLZDF-UHFFFAOYSA-N 0 3 197.322 2.287 20 0 AEADHN C=C/C=C\CCN1C[C@H](C)O[C@H](C)C1 877901484 583398744 /nfs/dbraw/zinc/39/87/44/583398744.db2.gz MNUWCEOENFDZBT-DLXAAPBESA-N 0 3 195.306 2.228 20 0 AEADHN C=C/C=C/CCN1CCOC(C)(C)C1 877899410 583398795 /nfs/dbraw/zinc/39/87/95/583398795.db2.gz SBDOFBCAXWQLJF-AATRIKPKSA-N 0 3 195.306 2.230 20 0 AEADHN C=C/C=C/CCN1C[C@H](C)O[C@H](C)C1 877901485 583398839 /nfs/dbraw/zinc/39/88/39/583398839.db2.gz MNUWCEOENFDZBT-MTJJXUSZSA-N 0 3 195.306 2.228 20 0 AEADHN C=C/C=C\CCN1CCOC(C)(C)C1 877899411 583399287 /nfs/dbraw/zinc/39/92/87/583399287.db2.gz SBDOFBCAXWQLJF-WAYWQWQTSA-N 0 3 195.306 2.230 20 0 AEADHN C=C/C=C/CCN1C[C@H](C)OC[C@H]1C 877920433 583399615 /nfs/dbraw/zinc/39/96/15/583399615.db2.gz NHAIOWNMAXBMSM-AIIUZBJTSA-N 0 3 195.306 2.228 20 0 AEADHN C=C/C=C\CCN1C[C@H](C)OC[C@@H]1C 877920436 583399983 /nfs/dbraw/zinc/39/99/83/583399983.db2.gz NHAIOWNMAXBMSM-YGABWQLJSA-N 0 3 195.306 2.228 20 0 AEADHN C[C@H]1CN(CCCC2CC2)[C@@H](C)CO1 877920744 583400018 /nfs/dbraw/zinc/40/00/18/583400018.db2.gz WBKCYMJSMZUXOC-QWRGUYRKSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1CO[C@H](C)CN1CCCC1CC1 877920745 583400134 /nfs/dbraw/zinc/40/01/34/583400134.db2.gz WBKCYMJSMZUXOC-WDEREUQCSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1CN(CCCC2CC2)[C@H](C)CO1 877920743 583400144 /nfs/dbraw/zinc/40/01/44/583400144.db2.gz WBKCYMJSMZUXOC-MNOVXSKESA-N 0 3 197.322 2.286 20 0 AEADHN C[C@@H]1CN(CCCC2CC2)[C@H](C)CO1 877920742 583400185 /nfs/dbraw/zinc/40/01/85/583400185.db2.gz WBKCYMJSMZUXOC-GHMZBOCLSA-N 0 3 197.322 2.286 20 0 AEADHN C=C/C=C\CCN1C[C@H](C)OC[C@H]1C 877920434 583400338 /nfs/dbraw/zinc/40/03/38/583400338.db2.gz NHAIOWNMAXBMSM-DUVUQDDDSA-N 0 3 195.306 2.228 20 0 AEADHN C=C/C=C/CCN1C[C@H](C)OC[C@@H]1C 877920435 583400357 /nfs/dbraw/zinc/40/03/57/583400357.db2.gz NHAIOWNMAXBMSM-WTIVYXKASA-N 0 3 195.306 2.228 20 0 AEADHN CC[C@@H]1CN(CCCC2CC2)CCO1 877956969 583401222 /nfs/dbraw/zinc/40/12/22/583401222.db2.gz BKTNDZWHHRJLEA-GFCCVEGCSA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@H]1CN(CCCC2CC2)CCO1 877956970 583401262 /nfs/dbraw/zinc/40/12/62/583401262.db2.gz BKTNDZWHHRJLEA-LBPRGKRZSA-N 0 3 197.322 2.287 20 0 AEADHN C=C/C=C\CCN1CCSCC1 877967977 583402165 /nfs/dbraw/zinc/40/21/65/583402165.db2.gz RSKVHWOAMKOYGO-ARJAWSKDSA-N 0 3 183.320 2.168 20 0 AEADHN C=C/C=C/CCN1CCSCC1 877967978 583402280 /nfs/dbraw/zinc/40/22/80/583402280.db2.gz RSKVHWOAMKOYGO-ONEGZZNKSA-N 0 3 183.320 2.168 20 0 AEADHN C=C/C=C\CCN1CCOCC1(C)C 877996788 583402507 /nfs/dbraw/zinc/40/25/07/583402507.db2.gz XTRIERJJFYAVEC-WAYWQWQTSA-N 0 3 195.306 2.230 20 0 AEADHN C=C/C=C/CCN1CCOCC1(C)C 877996786 583403056 /nfs/dbraw/zinc/40/30/56/583403056.db2.gz XTRIERJJFYAVEC-AATRIKPKSA-N 0 3 195.306 2.230 20 0 AEADHN CC1(C)COCCN1CCCC1CC1 877996373 583403354 /nfs/dbraw/zinc/40/33/54/583403354.db2.gz RFFOODOWJNNXKX-UHFFFAOYSA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@@H]1COCCN1CCCC1CC1 878108413 583405495 /nfs/dbraw/zinc/40/54/95/583405495.db2.gz JDQNBEDYEJHGJZ-GFCCVEGCSA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@H]1COCCN1CCCC1CC1 878108414 583405508 /nfs/dbraw/zinc/40/55/08/583405508.db2.gz JDQNBEDYEJHGJZ-LBPRGKRZSA-N 0 3 197.322 2.287 20 0 AEADHN C[C@H]1OCCN(CCCC2CC2)[C@@H]1C 878197810 583407327 /nfs/dbraw/zinc/40/73/27/583407327.db2.gz PSOHWCOKZLYGGK-GHMZBOCLSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@@H]1OCCN(CCCC2CC2)[C@@H]1C 878197811 583407845 /nfs/dbraw/zinc/40/78/45/583407845.db2.gz PSOHWCOKZLYGGK-MNOVXSKESA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1[C@@H](C)OCCN1CCCC1CC1 878197813 583407855 /nfs/dbraw/zinc/40/78/55/583407855.db2.gz PSOHWCOKZLYGGK-WDEREUQCSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@@H]1OCCN(CCCC2CC2)[C@H]1C 878197812 583407914 /nfs/dbraw/zinc/40/79/14/583407914.db2.gz PSOHWCOKZLYGGK-QWRGUYRKSA-N 0 3 197.322 2.286 20 0 AEADHN CN(CCCC1CC1)Cc1cn[nH]c1 878263667 583408398 /nfs/dbraw/zinc/40/83/98/583408398.db2.gz RIEDFLSLPQZJSZ-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CC(C)CN1CCC=C(Cl)C1 878794248 583414159 /nfs/dbraw/zinc/41/41/59/583414159.db2.gz XBVXUNFIHNVMPV-UHFFFAOYSA-N 0 3 173.687 2.471 20 0 AEADHN C=C/C=C\CCN1C[C@@H]2[C@H](C1)C2(F)F 878813625 583414180 /nfs/dbraw/zinc/41/41/80/583414180.db2.gz ZCCXOSMLFCGTIN-BZDJSAGESA-N 0 3 199.244 2.316 20 0 AEADHN CC(C)N1CCC=C(Cl)C1 878793224 583414336 /nfs/dbraw/zinc/41/43/36/583414336.db2.gz JDJOSNZUYBBCAH-UHFFFAOYSA-N 0 3 159.660 2.223 20 0 AEADHN ClC1=CCCN(CC2CC2)C1 878792482 583414446 /nfs/dbraw/zinc/41/44/46/583414446.db2.gz NDBKPVSGBQOSAG-UHFFFAOYSA-N 0 3 171.671 2.225 20 0 AEADHN C=C/C=C/CCN1C[C@@H]2[C@H](C1)C2(F)F 878813628 583414661 /nfs/dbraw/zinc/41/46/61/583414661.db2.gz ZCCXOSMLFCGTIN-LDYOUVJNSA-N 0 3 199.244 2.316 20 0 AEADHN CN(CCCC1CC1)Cc1cnc[nH]1 878884854 583415472 /nfs/dbraw/zinc/41/54/72/583415472.db2.gz NJHGHXXLEGLDMW-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN Cc1cc(CNCCCF)c(C)o1 127754074 583419141 /nfs/dbraw/zinc/41/91/41/583419141.db2.gz BJGZJFLROIVLAJ-UHFFFAOYSA-N 0 3 185.242 2.346 20 0 AEADHN FC[C@H]1CCCN(C/C=C/Cl)C1 880234368 583426586 /nfs/dbraw/zinc/42/65/86/583426586.db2.gz JFAYEERNBRCIAF-HDMKULJXSA-N 0 3 191.677 2.420 20 0 AEADHN FC[C@@H]1CCCN(C/C=C\Cl)C1 880234370 583427390 /nfs/dbraw/zinc/42/73/90/583427390.db2.gz JFAYEERNBRCIAF-MDHMXLOGSA-N 0 3 191.677 2.420 20 0 AEADHN FC[C@@H]1CCCN(C/C=C/Cl)C1 880234369 583427488 /nfs/dbraw/zinc/42/74/88/583427488.db2.gz JFAYEERNBRCIAF-LXOKAJLYSA-N 0 3 191.677 2.420 20 0 AEADHN FC[C@H]1CCCN(C/C=C\Cl)C1 880234367 583427569 /nfs/dbraw/zinc/42/75/69/583427569.db2.gz JFAYEERNBRCIAF-FIFYQCSRSA-N 0 3 191.677 2.420 20 0 AEADHN CC(C)=CCN1CCC(F)CC1 880239619 583428086 /nfs/dbraw/zinc/42/80/86/583428086.db2.gz OFEAPASFQDVDHX-UHFFFAOYSA-N 0 3 171.259 2.387 20 0 AEADHN CCSCCN1CCC(F)CC1 880240296 583428571 /nfs/dbraw/zinc/42/85/71/583428571.db2.gz TXVRRXHLVQPGAH-UHFFFAOYSA-N 0 3 191.315 2.173 20 0 AEADHN FC[C@@H]1CCN(C/C=C\Cl)C1 880291527 583429012 /nfs/dbraw/zinc/42/90/12/583429012.db2.gz NIOISDZNSNREET-CJKINAQCSA-N 0 3 177.650 2.030 20 0 AEADHN FC[C@H]1CCN(CCC(F)(F)F)C1 880293356 583429402 /nfs/dbraw/zinc/42/94/02/583429402.db2.gz IITYXRAVAFETNI-SSDOTTSWSA-N 0 3 199.191 2.230 20 0 AEADHN FC[C@@H]1CCN(C/C=C/Cl)C1 880291528 583429898 /nfs/dbraw/zinc/42/98/98/583429898.db2.gz NIOISDZNSNREET-LKVYWMSASA-N 0 3 177.650 2.030 20 0 AEADHN FC[C@@H]1CCN(CCC(F)(F)F)C1 880293357 583429953 /nfs/dbraw/zinc/42/99/53/583429953.db2.gz IITYXRAVAFETNI-ZETCQYMHSA-N 0 3 199.191 2.230 20 0 AEADHN FC[C@H]1CCN(C/C=C/Cl)C1 880291530 583429975 /nfs/dbraw/zinc/42/99/75/583429975.db2.gz NIOISDZNSNREET-YUQHSTNDSA-N 0 3 177.650 2.030 20 0 AEADHN FC[C@H]1CCN(C/C=C\Cl)C1 880291529 583430041 /nfs/dbraw/zinc/43/00/41/583430041.db2.gz NIOISDZNSNREET-XKKRXVNHSA-N 0 3 177.650 2.030 20 0 AEADHN CCC1Oc2c(C)cc(F)cc2C1=O 129259512 583448018 /nfs/dbraw/zinc/44/80/18/583448018.db2.gz GHJROOYGTXUPHJ-SECBINFHSA-N 0 3 194.205 2.488 20 0 AEADHN CCC1Oc2c(C)cc(F)cc2C1=O 129259802 583448370 /nfs/dbraw/zinc/44/83/70/583448370.db2.gz GHJROOYGTXUPHJ-VIFPVBQESA-N 0 3 194.205 2.488 20 0 AEADHN CCNCc1nc(C)c(CC)s1 129516508 583450740 /nfs/dbraw/zinc/45/07/40/583450740.db2.gz OGKJVPQBOMLQKP-UHFFFAOYSA-N 0 3 184.308 2.123 20 0 AEADHN C[C@H](NC[C@H]1C=CCC1)c1ncc[nH]1 883245044 583462851 /nfs/dbraw/zinc/46/28/51/583462851.db2.gz CKZLQNCQGVNLDK-UWVGGRQHSA-N 0 3 191.278 2.027 20 0 AEADHN Cc1csc(CNC2CC=CC2)n1 131172719 583463399 /nfs/dbraw/zinc/46/33/99/583463399.db2.gz QDJBFUDELYHBAZ-UHFFFAOYSA-N 0 3 194.303 2.260 20 0 AEADHN Cc1ncc(CNC2CC=CC2)s1 131191975 583463422 /nfs/dbraw/zinc/46/34/22/583463422.db2.gz KXFOYOJYDRMLOO-UHFFFAOYSA-N 0 3 194.303 2.260 20 0 AEADHN C[C@@H](NC[C@H]1C=CCC1)c1ncc[nH]1 883245046 583463435 /nfs/dbraw/zinc/46/34/35/583463435.db2.gz CKZLQNCQGVNLDK-ZJUUUORDSA-N 0 3 191.278 2.027 20 0 AEADHN C[C@H](NC[C@@H]1C=CCC1)c1ncc[nH]1 883245045 583463554 /nfs/dbraw/zinc/46/35/54/583463554.db2.gz CKZLQNCQGVNLDK-VHSXEESVSA-N 0 3 191.278 2.027 20 0 AEADHN C[C@@H](NC[C@@H]1C=CCC1)c1ncc[nH]1 883245043 583463685 /nfs/dbraw/zinc/46/36/85/583463685.db2.gz CKZLQNCQGVNLDK-NXEZZACHSA-N 0 3 191.278 2.027 20 0 AEADHN C=C/C=C\CCN[C@H](C)c1ncc[nH]1 883268184 583464516 /nfs/dbraw/zinc/46/45/16/583464516.db2.gz DULSVFNKHWNSHF-UMCURTJPSA-N 0 3 191.278 2.193 20 0 AEADHN C=C/C=C/CCN[C@@H](C)c1ncc[nH]1 883268185 583464617 /nfs/dbraw/zinc/46/46/17/583464617.db2.gz DULSVFNKHWNSHF-YEZKRMTDSA-N 0 3 191.278 2.193 20 0 AEADHN C=C/C=C\CCN[C@@H](C)c1ncc[nH]1 883268182 583464636 /nfs/dbraw/zinc/46/46/36/583464636.db2.gz DULSVFNKHWNSHF-LWTINBJPSA-N 0 3 191.278 2.193 20 0 AEADHN C=C/C=C/CCN[C@H](C)c1ncc[nH]1 883268183 583464841 /nfs/dbraw/zinc/46/48/41/583464841.db2.gz DULSVFNKHWNSHF-ORAHPGNNSA-N 0 3 191.278 2.193 20 0 AEADHN CCc1cc(N2C[C@H]3C[C@H]3C2)ccn1 884591611 583481632 /nfs/dbraw/zinc/48/16/32/583481632.db2.gz VSMXMNZOAQYLOY-AOOOYVTPSA-N 0 3 188.274 2.100 20 0 AEADHN C[C@@H](c1cccnc1)N1C[C@H]2C[C@H]2C1 886333851 583495907 /nfs/dbraw/zinc/49/59/07/583495907.db2.gz NYQUIEWWPHKHTF-ZMLRMANQSA-N 0 3 188.274 2.094 20 0 AEADHN C[C@H](c1cccnc1)N1C[C@H]2C[C@H]2C1 886333848 583495939 /nfs/dbraw/zinc/49/59/39/583495939.db2.gz NYQUIEWWPHKHTF-JLLWLGSASA-N 0 3 188.274 2.094 20 0 AEADHN C[C@H](c1ccncc1)N1C[C@H]2C[C@H]2C1 886334102 583496354 /nfs/dbraw/zinc/49/63/54/583496354.db2.gz RAGAKMAGTREBCP-JLLWLGSASA-N 0 3 188.274 2.094 20 0 AEADHN C[C@@H](c1ccccn1)N1C[C@H]2C[C@H]2C1 886344759 583496492 /nfs/dbraw/zinc/49/64/92/583496492.db2.gz KZHBBLTXJKKYTK-GARJFASQSA-N 0 3 188.274 2.094 20 0 AEADHN C[C@@H](c1ccncc1)N1C[C@H]2C[C@H]2C1 886334105 583496640 /nfs/dbraw/zinc/49/66/40/583496640.db2.gz RAGAKMAGTREBCP-ZMLRMANQSA-N 0 3 188.274 2.094 20 0 AEADHN C[C@H](c1ccccn1)N1C[C@H]2C[C@H]2C1 886344761 583496654 /nfs/dbraw/zinc/49/66/54/583496654.db2.gz KZHBBLTXJKKYTK-MXWKQRLJSA-N 0 3 188.274 2.094 20 0 AEADHN CCCN(C)Cc1ccc(F)cn1 219940110 583500695 /nfs/dbraw/zinc/50/06/95/583500695.db2.gz MGLAOWYDFMCTAZ-UHFFFAOYSA-N 0 3 182.242 2.063 20 0 AEADHN Cc1cc(CN(C)CCCF)ccn1 887142247 583505837 /nfs/dbraw/zinc/50/58/37/583505837.db2.gz BUCQLYYWPOMJPJ-UHFFFAOYSA-N 0 3 196.269 2.181 20 0 AEADHN CC(C)=CCN(C)CCCF 887137313 583505915 /nfs/dbraw/zinc/50/59/15/583505915.db2.gz CKUMGJHFXAECRL-UHFFFAOYSA-N 0 3 159.248 2.244 20 0 AEADHN CCCCOCCN(C)CCCF 887137943 583506038 /nfs/dbraw/zinc/50/60/38/583506038.db2.gz YTUJREGXDVIQIH-UHFFFAOYSA-N 0 3 191.290 2.095 20 0 AEADHN Cc1cncc(CN(C)CCCF)c1 887141276 583506183 /nfs/dbraw/zinc/50/61/83/583506183.db2.gz MGWFOYPJLJZLJK-UHFFFAOYSA-N 0 3 196.269 2.181 20 0 AEADHN Cc1ccnc(CN(C)CCCF)c1 887141289 583506497 /nfs/dbraw/zinc/50/64/97/583506497.db2.gz MZLDHLAVCPFWPA-UHFFFAOYSA-N 0 3 196.269 2.181 20 0 AEADHN Cc1ccc(CN(C)CCCF)cn1 887142290 583506515 /nfs/dbraw/zinc/50/65/15/583506515.db2.gz DIGVEEMJSBBBDL-UHFFFAOYSA-N 0 3 196.269 2.181 20 0 AEADHN Cc1ncccc1CN(C)CCCF 887142249 583506590 /nfs/dbraw/zinc/50/65/90/583506590.db2.gz BWNPWEUDGCJFCG-UHFFFAOYSA-N 0 3 196.269 2.181 20 0 AEADHN CC(C)CCNCc1cscn1 40420112 490014879 /nfs/dbraw/zinc/01/48/79/490014879.db2.gz HBLYEDLFLLWQRW-UHFFFAOYSA-N 0 3 184.308 2.279 20 0 AEADHN CCC(CC)CN(CC)CC(C)=O 42487979 490015265 /nfs/dbraw/zinc/01/52/65/490015265.db2.gz XMHYXSVPXIYESA-UHFFFAOYSA-N 0 3 185.311 2.334 20 0 AEADHN CC(=O)CN(C)CC1CCCCC1 42493781 490015349 /nfs/dbraw/zinc/01/53/49/490015349.db2.gz JWEORUOEUIYNIJ-UHFFFAOYSA-N 0 3 183.295 2.088 20 0 AEADHN CCc1ccc(CNCC2CC2)o1 51721177 490015790 /nfs/dbraw/zinc/01/57/90/490015790.db2.gz PIBWILILCRZSIZ-UHFFFAOYSA-N 0 3 179.263 2.342 20 0 AEADHN CCc1ccc(CNC2CC2)o1 51721106 490015957 /nfs/dbraw/zinc/01/59/57/490015957.db2.gz SGSRTUSFIZPCSE-UHFFFAOYSA-N 0 3 165.236 2.094 20 0 AEADHN CCCNCc1ccc(CC)o1 51721121 490015965 /nfs/dbraw/zinc/01/59/65/490015965.db2.gz MMEQSMMTWYKIFC-UHFFFAOYSA-N 0 3 167.252 2.342 20 0 AEADHN CCc1ccc(CNC(C)C)o1 51721157 490015986 /nfs/dbraw/zinc/01/59/86/490015986.db2.gz NRLBIELSBKMXAX-UHFFFAOYSA-N 0 3 167.252 2.340 20 0 AEADHN COc1ccsc1CNC(C)C 70993654 490019506 /nfs/dbraw/zinc/01/95/06/490019506.db2.gz GQGWQTFNRMVSMR-UHFFFAOYSA-N 0 3 185.292 2.255 20 0 AEADHN COc1ccsc1CNC1CC1 70993656 490019720 /nfs/dbraw/zinc/01/97/20/490019720.db2.gz LQUWLBPXKKOVMU-UHFFFAOYSA-N 0 3 183.276 2.009 20 0 AEADHN CCN1CCc2cc(C)ccc2C1 74448007 490020791 /nfs/dbraw/zinc/02/07/91/490020791.db2.gz AMDMVJKYELALFB-UHFFFAOYSA-N 0 3 175.275 2.373 20 0 AEADHN Cc1ccccc1CNC1CSC1 75121282 490022392 /nfs/dbraw/zinc/02/23/92/490022392.db2.gz BIUZFLVRNCHSEJ-UHFFFAOYSA-N 0 3 193.315 2.200 20 0 AEADHN Cc1cccc(CNC2CSC2)c1 75121279 490022589 /nfs/dbraw/zinc/02/25/89/490022589.db2.gz YXLJHLVIOPVMBI-UHFFFAOYSA-N 0 3 193.315 2.200 20 0 AEADHN Cc1ccc(CNC2CSC2)s1 75125254 490022758 /nfs/dbraw/zinc/02/27/58/490022758.db2.gz KCRIJNONUHNSHA-UHFFFAOYSA-N 0 3 199.344 2.262 20 0 AEADHN Cc1ccc(CNC2CSC2)cc1 76635957 490023564 /nfs/dbraw/zinc/02/35/64/490023564.db2.gz CZOVOSAMCQJETF-UHFFFAOYSA-N 0 3 193.315 2.200 20 0 AEADHN COc1cc(C)ccc1CNC1CC1 76635114 490023623 /nfs/dbraw/zinc/02/36/23/490023623.db2.gz UDMSPUAQDIGHBT-UHFFFAOYSA-N 0 3 191.274 2.256 20 0 AEADHN Cc1noc(C)c1[C@H](C)NCC1CC1 78679742 490024686 /nfs/dbraw/zinc/02/46/86/490024686.db2.gz ZKBKSBXPKUQRQQ-ZETCQYMHSA-N 0 3 194.278 2.352 20 0 AEADHN Cc1noc(C)c1[C@@H](C)NCC1CC1 78679740 490024842 /nfs/dbraw/zinc/02/48/42/490024842.db2.gz ZKBKSBXPKUQRQQ-SSDOTTSWSA-N 0 3 194.278 2.352 20 0 AEADHN C[C@@H](NC[C@@H]1CCCO1)c1ccoc1 87289543 490025523 /nfs/dbraw/zinc/02/55/23/490025523.db2.gz MJXRCIWRWUBAIL-KOLCDFICSA-N 0 3 195.262 2.109 20 0 AEADHN CC(=O)CN(C)C1CCC(C)(C)CC1 87287532 490025562 /nfs/dbraw/zinc/02/55/62/490025562.db2.gz YBQLZXXPWWMOEI-UHFFFAOYSA-N 0 3 197.322 2.476 20 0 AEADHN C[C@H](NC[C@@H]1CCCO1)c1ccoc1 87289542 490025622 /nfs/dbraw/zinc/02/56/22/490025622.db2.gz MJXRCIWRWUBAIL-ONGXEEELSA-N 0 3 195.262 2.109 20 0 AEADHN C[C@H](NC[C@H]1CCCO1)c1ccoc1 87289544 490025701 /nfs/dbraw/zinc/02/57/01/490025701.db2.gz MJXRCIWRWUBAIL-GXSJLCMTSA-N 0 3 195.262 2.109 20 0 AEADHN C[C@@H](NC[C@H]1CCCO1)c1ccoc1 87289545 490025711 /nfs/dbraw/zinc/02/57/11/490025711.db2.gz MJXRCIWRWUBAIL-MWLCHTKSSA-N 0 3 195.262 2.109 20 0 AEADHN Cc1ccoc1CNCCCF 124399294 490029962 /nfs/dbraw/zinc/02/99/62/490029962.db2.gz LHGLSIWIAUHXNS-UHFFFAOYSA-N 0 3 171.215 2.037 20 0 AEADHN CCc1ccc(CNCCCF)o1 124434821 490030104 /nfs/dbraw/zinc/03/01/04/490030104.db2.gz PNDASTSLLCKKGN-UHFFFAOYSA-N 0 3 185.242 2.291 20 0 AEADHN CCC1(CNCc2cncs2)CC1 124362559 490030147 /nfs/dbraw/zinc/03/01/47/490030147.db2.gz BGNGISPWIQVQKI-UHFFFAOYSA-N 0 3 196.319 2.423 20 0 AEADHN FCCCNCc1ccc(Cl)o1 124418671 490030193 /nfs/dbraw/zinc/03/01/93/490030193.db2.gz KVUHZROBTWLVAG-UHFFFAOYSA-N 0 3 191.633 2.382 20 0 AEADHN CC(C)(C)CNCc1ncccc1F 125769811 490034501 /nfs/dbraw/zinc/03/45/01/490034501.db2.gz RSKOJBAPSNXBHA-UHFFFAOYSA-N 0 3 196.269 2.356 20 0 AEADHN C[C@H](CNCCF)c1ccccc1 127069449 490041276 /nfs/dbraw/zinc/04/12/76/490041276.db2.gz NRZCJZQLXVTXBH-SNVBAGLBSA-N 0 3 181.254 2.349 20 0 AEADHN C[C@@H](CNCCF)c1ccccc1 127069208 490041577 /nfs/dbraw/zinc/04/15/77/490041577.db2.gz NRZCJZQLXVTXBH-JTQLQIEISA-N 0 3 181.254 2.349 20 0 AEADHN CN(C)CCSc1cccc(O)c1 127001117 490041590 /nfs/dbraw/zinc/04/15/90/490041590.db2.gz TVIPMJKPKLIJIJ-UHFFFAOYSA-N 0 3 197.303 2.046 20 0 AEADHN COC[C@H](NCC(C)C)c1ccco1 127718415 490043222 /nfs/dbraw/zinc/04/32/22/490043222.db2.gz BOUQUPNUKNGAAH-JTQLQIEISA-N 0 3 197.278 2.213 20 0 AEADHN COC[C@@H](NCC(C)C)c1ccco1 127718646 490043230 /nfs/dbraw/zinc/04/32/30/490043230.db2.gz BOUQUPNUKNGAAH-SNVBAGLBSA-N 0 3 197.278 2.213 20 0 AEADHN CCc1cc(CNC[C@@H](C)CC)on1 128989186 490047272 /nfs/dbraw/zinc/04/72/72/490047272.db2.gz NVONKHBZSPXYJS-VIFPVBQESA-N 0 3 196.294 2.373 20 0 AEADHN CCc1cc(CNC[C@H](C)CC)on1 128989403 490047617 /nfs/dbraw/zinc/04/76/17/490047617.db2.gz NVONKHBZSPXYJS-SECBINFHSA-N 0 3 196.294 2.373 20 0 AEADHN CC[C@H](C)CNCc1ncccc1F 129124131 490048052 /nfs/dbraw/zinc/04/80/52/490048052.db2.gz SLWVUJZMFRDKRG-VIFPVBQESA-N 0 3 196.269 2.356 20 0 AEADHN CC[C@@H](C)CNCc1ncccc1F 129123934 490048141 /nfs/dbraw/zinc/04/81/41/490048141.db2.gz SLWVUJZMFRDKRG-SECBINFHSA-N 0 3 196.269 2.356 20 0 AEADHN CC(C)C(C)(C)CNCc1cc[nH]n1 218975449 490071057 /nfs/dbraw/zinc/07/10/57/490071057.db2.gz FMHIVBLHZYGYMO-UHFFFAOYSA-N 0 3 195.310 2.182 20 0 AEADHN c1cc(CNCC2CCCCC2)on1 219147396 490071699 /nfs/dbraw/zinc/07/16/99/490071699.db2.gz CCCWHUMJGDAGCI-UHFFFAOYSA-N 0 3 194.278 2.345 20 0 AEADHN CCCCN1CCN(CC(C)C)CC1 218982171 490071790 /nfs/dbraw/zinc/07/17/90/490071790.db2.gz BUHXHGWGLSGLDJ-UHFFFAOYSA-N 0 3 198.354 2.060 20 0 AEADHN CC(C)=CCNCc1ccccn1 219139855 490071822 /nfs/dbraw/zinc/07/18/22/490071822.db2.gz XTVXGYVNHWFVGC-UHFFFAOYSA-N 0 3 176.263 2.137 20 0 AEADHN CC(C)C(C)(C)CNCc1ncc[nH]1 218981055 490071875 /nfs/dbraw/zinc/07/18/75/490071875.db2.gz XELZSBZDIDZKCS-UHFFFAOYSA-N 0 3 195.310 2.182 20 0 AEADHN CC(C)=CCNCc1ccncc1 219140095 490071909 /nfs/dbraw/zinc/07/19/09/490071909.db2.gz JUPZUTMUVODLOG-UHFFFAOYSA-N 0 3 176.263 2.137 20 0 AEADHN C=Cn1cc(CNCC=C(C)C)cn1 219402989 490072471 /nfs/dbraw/zinc/07/24/71/490072471.db2.gz GOZXOAWKILYBOM-UHFFFAOYSA-N 0 3 191.278 2.039 20 0 AEADHN CC(C)CN1CCc2ncsc2C1 219447725 490073274 /nfs/dbraw/zinc/07/32/74/490073274.db2.gz XKUAHNZFMXXDHO-UHFFFAOYSA-N 0 3 196.319 2.157 20 0 AEADHN CCC[C@H](C)N1C[C@H](C)O[C@H](C)C1 219461386 490073444 /nfs/dbraw/zinc/07/34/44/490073444.db2.gz WJFAVWRNUHGOQJ-GARJFASQSA-N 0 3 185.311 2.284 20 0 AEADHN C[C@@H]1SCC[C@H]1NCc1ccco1 220505827 490075171 /nfs/dbraw/zinc/07/51/71/490075171.db2.gz PIAQOVGGQIPSRV-WCBMZHEXSA-N 0 3 197.303 2.263 20 0 AEADHN C[C@H]1SCC[C@H]1NCc1ccco1 220505897 490074703 /nfs/dbraw/zinc/07/47/03/490074703.db2.gz PIAQOVGGQIPSRV-PSASIEDQSA-N 0 3 197.303 2.263 20 0 AEADHN C[C@H]1SCC[C@@H]1NCc1ccco1 220505750 490074856 /nfs/dbraw/zinc/07/48/56/490074856.db2.gz PIAQOVGGQIPSRV-SCZZXKLOSA-N 0 3 197.303 2.263 20 0 AEADHN C[C@@H]1SCC[C@@H]1NCc1ccco1 220505685 490075120 /nfs/dbraw/zinc/07/51/20/490075120.db2.gz PIAQOVGGQIPSRV-WPRPVWTQSA-N 0 3 197.303 2.263 20 0 AEADHN CC(C)n1nccc1CNC(C)(C)C 300717344 490098072 /nfs/dbraw/zinc/09/80/72/490098072.db2.gz PLHDJHUXBUFBJF-UHFFFAOYSA-N 0 3 195.310 2.352 20 0 AEADHN COC(C)(C)[C@@H](C)NCc1ccoc1 300798291 490102200 /nfs/dbraw/zinc/10/22/00/490102200.db2.gz ADZRWCUDUPKPNT-SECBINFHSA-N 0 3 197.278 2.183 20 0 AEADHN COC(C)(C)[C@H](C)NCc1ccoc1 300798292 490102526 /nfs/dbraw/zinc/10/25/26/490102526.db2.gz ADZRWCUDUPKPNT-VIFPVBQESA-N 0 3 197.278 2.183 20 0 AEADHN CC(C)C[C@H](C)CNCc1cc[nH]n1 300851159 490105965 /nfs/dbraw/zinc/10/59/65/490105965.db2.gz FHMMSMSJSFYUGQ-JTQLQIEISA-N 0 3 195.310 2.182 20 0 AEADHN CC(C)C[C@@H](C)CNCc1cc[nH]n1 300851160 490106014 /nfs/dbraw/zinc/10/60/14/490106014.db2.gz FHMMSMSJSFYUGQ-SNVBAGLBSA-N 0 3 195.310 2.182 20 0 AEADHN CC[C@@H](C)N1CCc2ncsc2C1 306151143 490114960 /nfs/dbraw/zinc/11/49/60/490114960.db2.gz GVPKDQGDIXXNBQ-MRVPVSSYSA-N 0 3 196.319 2.300 20 0 AEADHN CC[C@H](C)N1CCc2ncsc2C1 306151145 490115070 /nfs/dbraw/zinc/11/50/70/490115070.db2.gz GVPKDQGDIXXNBQ-QMMMGPOBSA-N 0 3 196.319 2.300 20 0 AEADHN CC1(C)C[C@@H]1NCc1ccncc1F 334652122 490133037 /nfs/dbraw/zinc/13/30/37/490133037.db2.gz JGAZJLVGURKCGH-JTQLQIEISA-N 0 3 194.253 2.109 20 0 AEADHN CC1(C)C[C@H]1NCc1ccncc1F 334652125 490133325 /nfs/dbraw/zinc/13/33/25/490133325.db2.gz JGAZJLVGURKCGH-SNVBAGLBSA-N 0 3 194.253 2.109 20 0 AEADHN Cc1cc([C@H](C)N[C@@H](C)C2CC2)no1 379667948 490140221 /nfs/dbraw/zinc/14/02/21/490140221.db2.gz ZIGDTUXRNZHURX-IUCAKERBSA-N 0 3 194.278 2.432 20 0 AEADHN Cc1cc([C@H](C)N[C@H](C)C2CC2)no1 379667947 490140472 /nfs/dbraw/zinc/14/04/72/490140472.db2.gz ZIGDTUXRNZHURX-BDAKNGLRSA-N 0 3 194.278 2.432 20 0 AEADHN C[C@@H]1C[C@@H]1CN1CCOC(C)(C)[C@H]1C 683110540 490173072 /nfs/dbraw/zinc/17/30/72/490173072.db2.gz SRGMYYFHDYXLEK-GMTAPVOTSA-N 0 3 197.322 2.142 20 0 AEADHN CC[C@@H]1CN(C[C@@H]2C[C@@H]2C)C[C@@H](C)O1 683110315 490173238 /nfs/dbraw/zinc/17/32/38/490173238.db2.gz LVHMBHQFOWMCNV-WHOHXGKFSA-N 0 3 197.322 2.142 20 0 AEADHN C[C@@H]1C[C@H]1CN1CCOC(C)(C)[C@H]1C 683110541 490173257 /nfs/dbraw/zinc/17/32/57/490173257.db2.gz SRGMYYFHDYXLEK-MXWKQRLJSA-N 0 3 197.322 2.142 20 0 AEADHN CC[C@@H]1CN(C[C@@H]2C[C@H]2C)C[C@H](C)O1 683110314 490173442 /nfs/dbraw/zinc/17/34/42/490173442.db2.gz LVHMBHQFOWMCNV-NOOOWODRSA-N 0 3 197.322 2.142 20 0 AEADHN C[C@@H]1N(C[C@H]2C[C@H]2C)CCOC1(C)C 683110542 490173612 /nfs/dbraw/zinc/17/36/12/490173612.db2.gz SRGMYYFHDYXLEK-OUAUKWLOSA-N 0 3 197.322 2.142 20 0 AEADHN CC[C@@H]1CN(C[C@@H]2C[C@H]2C)C[C@@H](C)O1 683110316 490173835 /nfs/dbraw/zinc/17/38/35/490173835.db2.gz LVHMBHQFOWMCNV-WISYIIOYSA-N 0 3 197.322 2.142 20 0 AEADHN CC[C@@H]1CN(C[C@@H]2C[C@@H]2C)C[C@H](C)O1 683110312 490173869 /nfs/dbraw/zinc/17/38/69/490173869.db2.gz LVHMBHQFOWMCNV-FIQHERPVSA-N 0 3 197.322 2.142 20 0 AEADHN C[C@@H]1N(C[C@@H]2C[C@H]2C)CCOC1(C)C 683110543 490173995 /nfs/dbraw/zinc/17/39/95/490173995.db2.gz SRGMYYFHDYXLEK-VWYCJHECSA-N 0 3 197.322 2.142 20 0 AEADHN CCC(CC)CN1CC(C)(OC)C1 34497476 491021180 /nfs/dbraw/zinc/02/11/80/491021180.db2.gz CLDHYUPYNYCGMF-UHFFFAOYSA-N 0 3 185.311 2.143 20 0 AEADHN C[C@H](NCC(C)(C)O)c1ccsc1 61362692 491021282 /nfs/dbraw/zinc/02/12/82/491021282.db2.gz RODKXNIWLIEYQZ-QMMMGPOBSA-N 0 3 199.319 2.170 20 0 AEADHN CC[C@@H](O)CN[C@H](C)c1ccsc1 61362701 491021286 /nfs/dbraw/zinc/02/12/86/491021286.db2.gz COOYAJAXTNDEGW-PSASIEDQSA-N 0 3 199.319 2.170 20 0 AEADHN CC[C@H](O)CN[C@H](C)c1ccsc1 61362700 491021339 /nfs/dbraw/zinc/02/13/39/491021339.db2.gz COOYAJAXTNDEGW-SCZZXKLOSA-N 0 3 199.319 2.170 20 0 AEADHN Cc1nc(CNCCC(C)C)[nH]c1C 60035902 491021350 /nfs/dbraw/zinc/02/13/50/491021350.db2.gz LYONVRHXTPSUJW-UHFFFAOYSA-N 0 3 195.310 2.162 20 0 AEADHN CC[C@H](O)CN[C@@H](C)c1ccsc1 61362698 491021354 /nfs/dbraw/zinc/02/13/54/491021354.db2.gz COOYAJAXTNDEGW-WPRPVWTQSA-N 0 3 199.319 2.170 20 0 AEADHN CC[C@@H](O)CN[C@@H](C)c1ccsc1 61362699 491021367 /nfs/dbraw/zinc/02/13/67/491021367.db2.gz COOYAJAXTNDEGW-WCBMZHEXSA-N 0 3 199.319 2.170 20 0 AEADHN c1nc(C2CC2)c(CNC2CC2)s1 82435026 491022195 /nfs/dbraw/zinc/02/21/95/491022195.db2.gz IEUGWGSJUDRBEQ-UHFFFAOYSA-N 0 3 194.303 2.273 20 0 AEADHN C[C@@H](O)CCN[C@H](C)c1ccsc1 82993850 491023192 /nfs/dbraw/zinc/02/31/92/491023192.db2.gz NROCWKQZKANBDO-RKDXNWHRSA-N 0 3 199.319 2.170 20 0 AEADHN C[C@H](O)CCN[C@@H](C)c1ccsc1 82993844 491023209 /nfs/dbraw/zinc/02/32/09/491023209.db2.gz NROCWKQZKANBDO-IUCAKERBSA-N 0 3 199.319 2.170 20 0 AEADHN C[C@H](NCC[C@@H](C)O)c1ccsc1 82993846 491023211 /nfs/dbraw/zinc/02/32/11/491023211.db2.gz NROCWKQZKANBDO-BDAKNGLRSA-N 0 3 199.319 2.170 20 0 AEADHN CCCN[C@H](C)c1c(C)noc1C 86109618 491028152 /nfs/dbraw/zinc/02/81/52/491028152.db2.gz PUPADGFXGFLMHA-SSDOTTSWSA-N 0 3 182.267 2.352 20 0 AEADHN C[C@H](O)CCN[C@H](C)c1ccsc1 82993848 491023251 /nfs/dbraw/zinc/02/32/51/491023251.db2.gz NROCWKQZKANBDO-DTWKUNHWSA-N 0 3 199.319 2.170 20 0 AEADHN CCCN[C@@H](C)c1c(C)noc1C 86109616 491028165 /nfs/dbraw/zinc/02/81/65/491028165.db2.gz PUPADGFXGFLMHA-ZETCQYMHSA-N 0 3 182.267 2.352 20 0 AEADHN CC[C@H](NCc1nccs1)C1CC1 83055847 491023411 /nfs/dbraw/zinc/02/34/11/491023411.db2.gz OKENSNBZHPIPNB-VIFPVBQESA-N 0 3 196.319 2.421 20 0 AEADHN CC[C@@H](NCc1cc(C)on1)C1CC1 83056140 491023416 /nfs/dbraw/zinc/02/34/16/491023416.db2.gz DQMIHFBOOCACFE-LLVKDONJSA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@H](NCc1cc(C)no1)C1CC1 83056164 491023428 /nfs/dbraw/zinc/02/34/28/491023428.db2.gz FDWXOMBKEMHUOV-NSHDSACASA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@@H](NCc1nccs1)C1CC1 83055848 491023442 /nfs/dbraw/zinc/02/34/42/491023442.db2.gz OKENSNBZHPIPNB-SECBINFHSA-N 0 3 196.319 2.421 20 0 AEADHN CC[C@H](NCc1cc(C)on1)C1CC1 83056138 491023452 /nfs/dbraw/zinc/02/34/52/491023452.db2.gz DQMIHFBOOCACFE-NSHDSACASA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@@H](NCc1cc(C)no1)C1CC1 83056168 491023454 /nfs/dbraw/zinc/02/34/54/491023454.db2.gz FDWXOMBKEMHUOV-LLVKDONJSA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@@H](NCc1cscn1)C1CC1 83056644 491023578 /nfs/dbraw/zinc/02/35/78/491023578.db2.gz GBISPWQSYAXGRX-SNVBAGLBSA-N 0 3 196.319 2.421 20 0 AEADHN Cc1noc(C)c1[C@@H](C)NC(C)C 86109629 491028192 /nfs/dbraw/zinc/02/81/92/491028192.db2.gz YCMUEFRHPXJLTJ-SSDOTTSWSA-N 0 3 182.267 2.350 20 0 AEADHN CC[C@H](NCc1cscn1)C1CC1 83056641 491023630 /nfs/dbraw/zinc/02/36/30/491023630.db2.gz GBISPWQSYAXGRX-JTQLQIEISA-N 0 3 196.319 2.421 20 0 AEADHN COc1ccc(CNC(C)C)c(F)c1 83342736 491024033 /nfs/dbraw/zinc/02/40/33/491024033.db2.gz RSAZCQHIZRQURG-UHFFFAOYSA-N 0 3 197.253 2.332 20 0 AEADHN Cc1noc(C)c1[C@H](C)NC(C)C 86109632 491028259 /nfs/dbraw/zinc/02/82/59/491028259.db2.gz YCMUEFRHPXJLTJ-ZETCQYMHSA-N 0 3 182.267 2.350 20 0 AEADHN CC[C@](C)(O)CN[C@H](C)c1ccco1 83462657 491024476 /nfs/dbraw/zinc/02/44/76/491024476.db2.gz SOGRZFKOGORVCV-KOLCDFICSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@@](C)(O)CN[C@@H](C)c1ccco1 83462656 491024479 /nfs/dbraw/zinc/02/44/79/491024479.db2.gz SOGRZFKOGORVCV-GXSJLCMTSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@](C)(O)CN[C@@H](C)c1ccco1 83462653 491024508 /nfs/dbraw/zinc/02/45/08/491024508.db2.gz SOGRZFKOGORVCV-ONGXEEELSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@@](C)(O)CN[C@H](C)c1ccco1 83462660 491024573 /nfs/dbraw/zinc/02/45/73/491024573.db2.gz SOGRZFKOGORVCV-MWLCHTKSSA-N 0 3 197.278 2.091 20 0 AEADHN C[C@H](N[C@H](C)c1ccco1)C(C)(C)O 83726198 491025088 /nfs/dbraw/zinc/02/50/88/491025088.db2.gz OUACYXFLKMOANC-BDAKNGLRSA-N 0 3 197.278 2.090 20 0 AEADHN C[C@H](N[C@@H](C)C(C)(C)O)c1ccco1 83726195 491025152 /nfs/dbraw/zinc/02/51/52/491025152.db2.gz OUACYXFLKMOANC-IUCAKERBSA-N 0 3 197.278 2.090 20 0 AEADHN c1ncc(CNCCC2CC2)s1 83894017 491025660 /nfs/dbraw/zinc/02/56/60/491025660.db2.gz LGOLCBFNBJTOAS-UHFFFAOYSA-N 0 3 182.292 2.033 20 0 AEADHN c1ccc(CNCc2cc[nH]c2)cc1 85578635 491027734 /nfs/dbraw/zinc/02/77/34/491027734.db2.gz IRCVYQZLYLCLLG-UHFFFAOYSA-N 0 3 186.258 2.305 20 0 AEADHN c1csc(CNCc2cc[nH]c2)c1 85578869 491027786 /nfs/dbraw/zinc/02/77/86/491027786.db2.gz XQVXKBJSCXFGSE-UHFFFAOYSA-N 0 3 192.287 2.366 20 0 AEADHN FC(F)(F)CCNCc1cc[nH]c1 85579877 491027849 /nfs/dbraw/zinc/02/78/49/491027849.db2.gz WBAMMLSWGRUFGU-UHFFFAOYSA-N 0 3 192.184 2.057 20 0 AEADHN c1cc(CNCc2ccsc2)c[nH]1 85579883 491027857 /nfs/dbraw/zinc/02/78/57/491027857.db2.gz ZFIYBVPBVVKRPO-UHFFFAOYSA-N 0 3 192.287 2.366 20 0 AEADHN C[C@H](NCCC(C)(C)O)c1ccco1 86235308 491028731 /nfs/dbraw/zinc/02/87/31/491028731.db2.gz UQBIMXVYOMKRMW-VIFPVBQESA-N 0 3 197.278 2.091 20 0 AEADHN C[C@@H](NCCC(C)(C)O)c1ccco1 86235311 491028746 /nfs/dbraw/zinc/02/87/46/491028746.db2.gz UQBIMXVYOMKRMW-SECBINFHSA-N 0 3 197.278 2.091 20 0 AEADHN C[C@H]1CCC[C@@H](NCc2ccon2)C1 86452625 491029030 /nfs/dbraw/zinc/02/90/30/491029030.db2.gz PAJRXEDUOWTUDI-VHSXEESVSA-N 0 3 194.278 2.343 20 0 AEADHN CC[C@H]1CCC[C@@H]1NCc1cc[nH]n1 130528309 491034049 /nfs/dbraw/zinc/03/40/49/491034049.db2.gz ZAPJOUGVYSQKEW-ONGXEEELSA-N 0 3 193.294 2.078 20 0 AEADHN C[C@@H]1CCC[C@@H](NCc2ccon2)C1 86452624 491029108 /nfs/dbraw/zinc/02/91/08/491029108.db2.gz PAJRXEDUOWTUDI-NXEZZACHSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@H]1CCC[C@H](NCc2ccon2)C1 86452623 491029119 /nfs/dbraw/zinc/02/91/19/491029119.db2.gz PAJRXEDUOWTUDI-UWVGGRQHSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@@H]1CCC[C@H](NCc2ccon2)C1 86452622 491029149 /nfs/dbraw/zinc/02/91/49/491029149.db2.gz PAJRXEDUOWTUDI-ZJUUUORDSA-N 0 3 194.278 2.343 20 0 AEADHN CCCN[C@@H](C)c1ccc(F)cn1 86706482 491029283 /nfs/dbraw/zinc/02/92/83/491029283.db2.gz ZCSQXTMHSXMDMX-QMMMGPOBSA-N 0 3 182.242 2.281 20 0 AEADHN CCCN[C@H](C)c1ccc(F)cn1 86706485 491029293 /nfs/dbraw/zinc/02/92/93/491029293.db2.gz ZCSQXTMHSXMDMX-MRVPVSSYSA-N 0 3 182.242 2.281 20 0 AEADHN Cc1ccc(CNCCC2CC2)nc1 87782590 491032289 /nfs/dbraw/zinc/03/22/89/491032289.db2.gz LYDGDBNTGPKYGE-UHFFFAOYSA-N 0 3 190.290 2.280 20 0 AEADHN CC[C@@H]1CCC[C@@H]1NCc1ncc[nH]1 130511200 491034085 /nfs/dbraw/zinc/03/40/85/491034085.db2.gz ISLASVCXCUVPAF-ZJUUUORDSA-N 0 3 193.294 2.078 20 0 AEADHN CC[C@@H]1CCC[C@H]1NCc1ncc[nH]1 130511589 491034088 /nfs/dbraw/zinc/03/40/88/491034088.db2.gz ISLASVCXCUVPAF-NXEZZACHSA-N 0 3 193.294 2.078 20 0 AEADHN CC[C@@H]1CCC[C@H]1NCc1cc[nH]n1 130528524 491034096 /nfs/dbraw/zinc/03/40/96/491034096.db2.gz ZAPJOUGVYSQKEW-MWLCHTKSSA-N 0 3 193.294 2.078 20 0 AEADHN C[C@H](NCC1CC1)c1ccoc1 87289396 491030233 /nfs/dbraw/zinc/03/02/33/491030233.db2.gz NSISMNXSYAPAML-QMMMGPOBSA-N 0 3 165.236 2.340 20 0 AEADHN CCC1(CC)CCN(CC(C)=O)C1 87256951 491030268 /nfs/dbraw/zinc/03/02/68/491030268.db2.gz QSBPEPKLCZMKIM-UHFFFAOYSA-N 0 3 183.295 2.088 20 0 AEADHN C[C@H](NC1CC1)c1ccoc1 87285553 491030295 /nfs/dbraw/zinc/03/02/95/491030295.db2.gz KWMJSCJMANZPOL-ZETCQYMHSA-N 0 3 151.209 2.093 20 0 AEADHN C[C@@H](NCC1CC1)c1ccoc1 87289397 491030307 /nfs/dbraw/zinc/03/03/07/491030307.db2.gz NSISMNXSYAPAML-MRVPVSSYSA-N 0 3 165.236 2.340 20 0 AEADHN C[C@@H](NC1CC1)c1ccoc1 87285554 491030363 /nfs/dbraw/zinc/03/03/63/491030363.db2.gz KWMJSCJMANZPOL-SSDOTTSWSA-N 0 3 151.209 2.093 20 0 AEADHN CCOCCCN[C@@H](C)c1ccoc1 87289536 491030372 /nfs/dbraw/zinc/03/03/72/491030372.db2.gz SCARMXVTYYSZAB-JTQLQIEISA-N 0 3 197.278 2.357 20 0 AEADHN COCCCCN[C@@H](C)c1ccoc1 87290082 491030374 /nfs/dbraw/zinc/03/03/74/491030374.db2.gz LHFSYJBHVOOZBZ-JTQLQIEISA-N 0 3 197.278 2.357 20 0 AEADHN C[C@H](N[C@H]1CCCOC1)c1ccoc1 87290244 491030381 /nfs/dbraw/zinc/03/03/81/491030381.db2.gz YLZLUUBPQADQAP-ONGXEEELSA-N 0 3 195.262 2.109 20 0 AEADHN COCCCCN[C@H](C)c1ccoc1 87290083 491030383 /nfs/dbraw/zinc/03/03/83/491030383.db2.gz LHFSYJBHVOOZBZ-SNVBAGLBSA-N 0 3 197.278 2.357 20 0 AEADHN C[C@@H](N[C@H]1CCCOC1)c1ccoc1 87290245 491030390 /nfs/dbraw/zinc/03/03/90/491030390.db2.gz YLZLUUBPQADQAP-KOLCDFICSA-N 0 3 195.262 2.109 20 0 AEADHN C[C@H](NC1CCC1)c1ccoc1 87290158 491030392 /nfs/dbraw/zinc/03/03/92/491030392.db2.gz IEKAMVPWQBWUCR-QMMMGPOBSA-N 0 3 165.236 2.483 20 0 AEADHN COC[C@H](C)CN[C@H](C)c1ccoc1 87290123 491030412 /nfs/dbraw/zinc/03/04/12/491030412.db2.gz GDBGKPIITFBMHW-NXEZZACHSA-N 0 3 197.278 2.213 20 0 AEADHN C[C@@H](N[C@@H]1CCCOC1)c1ccoc1 87290243 491030433 /nfs/dbraw/zinc/03/04/33/491030433.db2.gz YLZLUUBPQADQAP-MWLCHTKSSA-N 0 3 195.262 2.109 20 0 AEADHN COC[C@H](C)CN[C@@H](C)c1ccoc1 87290121 491030442 /nfs/dbraw/zinc/03/04/42/491030442.db2.gz GDBGKPIITFBMHW-ZJUUUORDSA-N 0 3 197.278 2.213 20 0 AEADHN C[C@@H](NC1CCOCC1)c1ccoc1 87289781 491030445 /nfs/dbraw/zinc/03/04/45/491030445.db2.gz HQFNNQOFUMKCKX-SECBINFHSA-N 0 3 195.262 2.109 20 0 AEADHN C[C@H](N[C@@H]1CCCOC1)c1ccoc1 87290242 491030454 /nfs/dbraw/zinc/03/04/54/491030454.db2.gz YLZLUUBPQADQAP-GXSJLCMTSA-N 0 3 195.262 2.109 20 0 AEADHN CC[C@@H](COC)N[C@@H](C)c1ccoc1 87290312 491030480 /nfs/dbraw/zinc/03/04/80/491030480.db2.gz XILKNSJOVJCHRI-ONGXEEELSA-N 0 3 197.278 2.355 20 0 AEADHN COC[C@@H](C)CN[C@H](C)c1ccoc1 87290122 491030489 /nfs/dbraw/zinc/03/04/89/491030489.db2.gz GDBGKPIITFBMHW-VHSXEESVSA-N 0 3 197.278 2.213 20 0 AEADHN C[C@H](NC1CCOCC1)c1ccoc1 87289780 491030495 /nfs/dbraw/zinc/03/04/95/491030495.db2.gz HQFNNQOFUMKCKX-VIFPVBQESA-N 0 3 195.262 2.109 20 0 AEADHN CCOCCCN[C@H](C)c1ccoc1 87289537 491030497 /nfs/dbraw/zinc/03/04/97/491030497.db2.gz SCARMXVTYYSZAB-SNVBAGLBSA-N 0 3 197.278 2.357 20 0 AEADHN C[C@@H](NC1CCC1)c1ccoc1 87290159 491030504 /nfs/dbraw/zinc/03/05/04/491030504.db2.gz IEKAMVPWQBWUCR-MRVPVSSYSA-N 0 3 165.236 2.483 20 0 AEADHN COC[C@@H](C)CN[C@@H](C)c1ccoc1 87290120 491030528 /nfs/dbraw/zinc/03/05/28/491030528.db2.gz GDBGKPIITFBMHW-UWVGGRQHSA-N 0 3 197.278 2.213 20 0 AEADHN COCC[C@@H](C)N[C@@H](C)c1ccoc1 87290351 491030553 /nfs/dbraw/zinc/03/05/53/491030553.db2.gz HVBUOFQIDKGYNE-ZJUUUORDSA-N 0 3 197.278 2.355 20 0 AEADHN CC(C)[C@@H](C)NCc1ncccc1F 131247772 491034593 /nfs/dbraw/zinc/03/45/93/491034593.db2.gz MSZFMNLXFBTKQF-SECBINFHSA-N 0 3 196.269 2.355 20 0 AEADHN COCC[C@@H](C)N[C@H](C)c1ccoc1 87290353 491030559 /nfs/dbraw/zinc/03/05/59/491030559.db2.gz HVBUOFQIDKGYNE-NXEZZACHSA-N 0 3 197.278 2.355 20 0 AEADHN CC[C@@](C)(O)CN[C@@H](C)c1ccoc1 87290402 491030573 /nfs/dbraw/zinc/03/05/73/491030573.db2.gz HJCNYTLMYAWQMD-GXSJLCMTSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@](C)(O)CN[C@@H](C)c1ccoc1 87290401 491030580 /nfs/dbraw/zinc/03/05/80/491030580.db2.gz HJCNYTLMYAWQMD-ONGXEEELSA-N 0 3 197.278 2.091 20 0 AEADHN COC[C@@H](C)NCc1cscc1C 87309254 491030586 /nfs/dbraw/zinc/03/05/86/491030586.db2.gz SLRXLDFSENIJLY-SECBINFHSA-N 0 3 199.319 2.181 20 0 AEADHN CC[C@@H](COC)N[C@H](C)c1ccoc1 87290314 491030588 /nfs/dbraw/zinc/03/05/88/491030588.db2.gz XILKNSJOVJCHRI-KOLCDFICSA-N 0 3 197.278 2.355 20 0 AEADHN CC[C@H](COC)N[C@@H](C)c1ccoc1 87290313 491030600 /nfs/dbraw/zinc/03/06/00/491030600.db2.gz XILKNSJOVJCHRI-GXSJLCMTSA-N 0 3 197.278 2.355 20 0 AEADHN CC[C@@](C)(O)CN[C@H](C)c1ccoc1 87290404 491030603 /nfs/dbraw/zinc/03/06/03/491030603.db2.gz HJCNYTLMYAWQMD-MWLCHTKSSA-N 0 3 197.278 2.091 20 0 AEADHN COCC[C@H](C)N[C@H](C)c1ccoc1 87290352 491030611 /nfs/dbraw/zinc/03/06/11/491030611.db2.gz HVBUOFQIDKGYNE-VHSXEESVSA-N 0 3 197.278 2.355 20 0 AEADHN CC[C@H](COC)N[C@H](C)c1ccoc1 87290315 491030622 /nfs/dbraw/zinc/03/06/22/491030622.db2.gz XILKNSJOVJCHRI-MWLCHTKSSA-N 0 3 197.278 2.355 20 0 AEADHN CC[C@](C)(O)CN[C@H](C)c1ccoc1 87290403 491030641 /nfs/dbraw/zinc/03/06/41/491030641.db2.gz HJCNYTLMYAWQMD-KOLCDFICSA-N 0 3 197.278 2.091 20 0 AEADHN COCC[C@H](C)N[C@@H](C)c1ccoc1 87290350 491030662 /nfs/dbraw/zinc/03/06/62/491030662.db2.gz HVBUOFQIDKGYNE-UWVGGRQHSA-N 0 3 197.278 2.355 20 0 AEADHN COC[C@H](C)NCc1cscc1C 87309253 491030664 /nfs/dbraw/zinc/03/06/64/491030664.db2.gz SLRXLDFSENIJLY-VIFPVBQESA-N 0 3 199.319 2.181 20 0 AEADHN C[C@@H](CCc1ccco1)NCCF 87774968 491031993 /nfs/dbraw/zinc/03/19/93/491031993.db2.gz ULJWZCDMTQTFOI-VIFPVBQESA-N 0 3 185.242 2.160 20 0 AEADHN C[C@H](CCc1ccco1)NCCF 87774969 491032010 /nfs/dbraw/zinc/03/20/10/491032010.db2.gz ULJWZCDMTQTFOI-SECBINFHSA-N 0 3 185.242 2.160 20 0 AEADHN C[C@@H](Cc1ccsc1)NCCF 87774919 491032015 /nfs/dbraw/zinc/03/20/15/491032015.db2.gz HVVGLWCFAMNJPB-QMMMGPOBSA-N 0 3 187.283 2.238 20 0 AEADHN C[C@H](Cc1ccsc1)NCCF 87774920 491032037 /nfs/dbraw/zinc/03/20/37/491032037.db2.gz HVVGLWCFAMNJPB-MRVPVSSYSA-N 0 3 187.283 2.238 20 0 AEADHN Cc1ccccc1CNCCF 87774804 491032055 /nfs/dbraw/zinc/03/20/55/491032055.db2.gz MGHWRFPWFDKRIW-UHFFFAOYSA-N 0 3 167.227 2.054 20 0 AEADHN C[C@@H](Cc1cccs1)NCCF 87775155 491032126 /nfs/dbraw/zinc/03/21/26/491032126.db2.gz LJXCVJCALNJWIN-QMMMGPOBSA-N 0 3 187.283 2.238 20 0 AEADHN C[C@@H](Cc1ccc(F)cc1)NCCF 87775130 491032158 /nfs/dbraw/zinc/03/21/58/491032158.db2.gz LAVQRJBMQOAENM-VIFPVBQESA-N 0 3 199.244 2.316 20 0 AEADHN C[C@H](Cc1ccc(F)cc1)NCCF 87775131 491032165 /nfs/dbraw/zinc/03/21/65/491032165.db2.gz LAVQRJBMQOAENM-SECBINFHSA-N 0 3 199.244 2.316 20 0 AEADHN CCCCNCc1ccc(C)cn1 87782053 491032175 /nfs/dbraw/zinc/03/21/75/491032175.db2.gz KWOFQFIUEFEEBD-UHFFFAOYSA-N 0 3 178.279 2.280 20 0 AEADHN Cc1ccsc1CNCCF 87775390 491032218 /nfs/dbraw/zinc/03/22/18/491032218.db2.gz ZFBVAEMKNKKKQQ-UHFFFAOYSA-N 0 3 173.256 2.116 20 0 AEADHN C[C@H](Cc1cccs1)NCCF 87775156 491032235 /nfs/dbraw/zinc/03/22/35/491032235.db2.gz LJXCVJCALNJWIN-MRVPVSSYSA-N 0 3 187.283 2.238 20 0 AEADHN Cc1ccc(CNCC(C)C)nc1 87782051 491032259 /nfs/dbraw/zinc/03/22/59/491032259.db2.gz QKUAZBCPMLQBRY-UHFFFAOYSA-N 0 3 178.279 2.136 20 0 AEADHN Cc1ccc(CNCC2CCC2)nc1 87782333 491032332 /nfs/dbraw/zinc/03/23/32/491032332.db2.gz SBUWIWXOOSDUAF-UHFFFAOYSA-N 0 3 190.290 2.280 20 0 AEADHN CC[C@H](C)NCc1ccc(C)cn1 87782101 491032340 /nfs/dbraw/zinc/03/23/40/491032340.db2.gz JKNLENDRAJCKCT-JTQLQIEISA-N 0 3 178.279 2.278 20 0 AEADHN CC[C@@H](C)NCc1ccc(C)cn1 87782099 491032404 /nfs/dbraw/zinc/03/24/04/491032404.db2.gz JKNLENDRAJCKCT-SNVBAGLBSA-N 0 3 178.279 2.278 20 0 AEADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1ccoc1 130938693 491034364 /nfs/dbraw/zinc/03/43/64/491034364.db2.gz HAVZFGDKQOGZBN-OPRDCNLKSA-N 0 3 197.278 2.354 20 0 AEADHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1ccoc1 130938493 491034367 /nfs/dbraw/zinc/03/43/67/491034367.db2.gz HAVZFGDKQOGZBN-KXUCPTDWSA-N 0 3 197.278 2.354 20 0 AEADHN Cc1ccncc1[C@@H](C)NCCCF 130959881 491034369 /nfs/dbraw/zinc/03/43/69/491034369.db2.gz QIMMVIHIHVJJNV-SNVBAGLBSA-N 0 3 196.269 2.400 20 0 AEADHN COc1ccccc1CNCCCF 88024329 491032579 /nfs/dbraw/zinc/03/25/79/491032579.db2.gz IKMWHKVYYRBYJN-UHFFFAOYSA-N 0 3 197.253 2.144 20 0 AEADHN C[C@H](NCCCF)c1ccccn1 88024519 491032581 /nfs/dbraw/zinc/03/25/81/491032581.db2.gz FPENUHGUNVVSLF-VIFPVBQESA-N 0 3 182.242 2.092 20 0 AEADHN C[C@@H](NCCCF)c1cccnc1 88024516 491032583 /nfs/dbraw/zinc/03/25/83/491032583.db2.gz ITFLYAZVKDHPKM-SECBINFHSA-N 0 3 182.242 2.092 20 0 AEADHN C[C@@H](NCCCF)c1ccccn1 88024520 491032594 /nfs/dbraw/zinc/03/25/94/491032594.db2.gz FPENUHGUNVVSLF-SECBINFHSA-N 0 3 182.242 2.092 20 0 AEADHN C[C@H](NCCCF)c1cccnc1 88024515 491032643 /nfs/dbraw/zinc/03/26/43/491032643.db2.gz ITFLYAZVKDHPKM-VIFPVBQESA-N 0 3 182.242 2.092 20 0 AEADHN FCCCNCc1ccccc1F 88024414 491032652 /nfs/dbraw/zinc/03/26/52/491032652.db2.gz XDYCBCJNYQSEHV-UHFFFAOYSA-N 0 3 185.217 2.275 20 0 AEADHN FCCCNCc1ccsc1 88024927 491032700 /nfs/dbraw/zinc/03/27/00/491032700.db2.gz RHURKAJKGIUJNR-UHFFFAOYSA-N 0 3 173.256 2.197 20 0 AEADHN Cc1ccc(CNCCCF)o1 88024875 491032753 /nfs/dbraw/zinc/03/27/53/491032753.db2.gz PYLDRMXOVUJOOV-UHFFFAOYSA-N 0 3 171.215 2.037 20 0 AEADHN CC[C@@H](NCc1ccon1)C(C)C 88052582 491032807 /nfs/dbraw/zinc/03/28/07/491032807.db2.gz KQMIZAJYOVPBSU-SNVBAGLBSA-N 0 3 182.267 2.199 20 0 AEADHN CC[C@H](C)[C@@H](C)NCc1ccon1 88052591 491032814 /nfs/dbraw/zinc/03/28/14/491032814.db2.gz QPXCVPSVCIYQGK-DTWKUNHWSA-N 0 3 182.267 2.199 20 0 AEADHN CC[C@@H](C)[C@@H](C)NCc1ccon1 88052590 491032826 /nfs/dbraw/zinc/03/28/26/491032826.db2.gz QPXCVPSVCIYQGK-RKDXNWHRSA-N 0 3 182.267 2.199 20 0 AEADHN CC1(C)CC[C@H](NCc2ccon2)C1 88052614 491032828 /nfs/dbraw/zinc/03/28/28/491032828.db2.gz JXFOYECJYAZDKV-VIFPVBQESA-N 0 3 194.278 2.343 20 0 AEADHN c1cc(CNCC2CCCCC2)no1 88052903 491032843 /nfs/dbraw/zinc/03/28/43/491032843.db2.gz PPNKTNYBFLASJS-UHFFFAOYSA-N 0 3 194.278 2.345 20 0 AEADHN C1=CC[C@@H](CNCc2ccon2)CC1 88052733 491032862 /nfs/dbraw/zinc/03/28/62/491032862.db2.gz XRXDMDUJEXZIOQ-SNVBAGLBSA-N 0 3 192.262 2.121 20 0 AEADHN C1=CC[C@H](CNCc2ccon2)CC1 88052732 491032889 /nfs/dbraw/zinc/03/28/89/491032889.db2.gz XRXDMDUJEXZIOQ-JTQLQIEISA-N 0 3 192.262 2.121 20 0 AEADHN CC[C@H](NCc1ccon1)C(C)C 88052581 491032905 /nfs/dbraw/zinc/03/29/05/491032905.db2.gz KQMIZAJYOVPBSU-JTQLQIEISA-N 0 3 182.267 2.199 20 0 AEADHN Cc1ccncc1[C@H](C)NCCCF 130960093 491034410 /nfs/dbraw/zinc/03/44/10/491034410.db2.gz QIMMVIHIHVJJNV-JTQLQIEISA-N 0 3 196.269 2.400 20 0 AEADHN CC[C@H](C)[C@H](C)NCc1ccon1 88052593 491032937 /nfs/dbraw/zinc/03/29/37/491032937.db2.gz QPXCVPSVCIYQGK-IUCAKERBSA-N 0 3 182.267 2.199 20 0 AEADHN CC1(C)CC[C@@H](NCc2ccon2)C1 88052615 491032948 /nfs/dbraw/zinc/03/29/48/491032948.db2.gz JXFOYECJYAZDKV-SECBINFHSA-N 0 3 194.278 2.343 20 0 AEADHN CCC(CC)CNCc1ccon1 88052926 491032956 /nfs/dbraw/zinc/03/29/56/491032956.db2.gz LYSOJQPNUTWXPD-UHFFFAOYSA-N 0 3 182.267 2.200 20 0 AEADHN CC[C@@H](C)[C@H](C)NCc1ccon1 88052592 491032969 /nfs/dbraw/zinc/03/29/69/491032969.db2.gz QPXCVPSVCIYQGK-BDAKNGLRSA-N 0 3 182.267 2.199 20 0 AEADHN Cc1ccc(CNC2CC=CC2)o1 131191543 491034444 /nfs/dbraw/zinc/03/44/44/491034444.db2.gz LLRRYEIULWMGCH-UHFFFAOYSA-N 0 3 177.247 2.396 20 0 AEADHN Cc1ncsc1CNC1CC=CC1 131189890 491034471 /nfs/dbraw/zinc/03/44/71/491034471.db2.gz IAHFHGKJJNTZDP-UHFFFAOYSA-N 0 3 194.303 2.260 20 0 AEADHN Cc1ccoc1CNC1CC=CC1 131196883 491034532 /nfs/dbraw/zinc/03/45/32/491034532.db2.gz XASCFTXGLPXMJR-UHFFFAOYSA-N 0 3 177.247 2.396 20 0 AEADHN CC[C@H]1CCC[C@@H]1NCc1ncc[nH]1 130511374 491033978 /nfs/dbraw/zinc/03/39/78/491033978.db2.gz ISLASVCXCUVPAF-UWVGGRQHSA-N 0 3 193.294 2.078 20 0 AEADHN CC[C@H]1CCC[C@H]1NCc1ncc[nH]1 130511806 491033986 /nfs/dbraw/zinc/03/39/86/491033986.db2.gz ISLASVCXCUVPAF-VHSXEESVSA-N 0 3 193.294 2.078 20 0 AEADHN CC[C@H]1CCC[C@H]1NCc1cc[nH]n1 130528736 491034017 /nfs/dbraw/zinc/03/40/17/491034017.db2.gz ZAPJOUGVYSQKEW-GXSJLCMTSA-N 0 3 193.294 2.078 20 0 AEADHN CC[C@@H]1CCC[C@@H]1NCc1cc[nH]n1 130528132 491034031 /nfs/dbraw/zinc/03/40/31/491034031.db2.gz ZAPJOUGVYSQKEW-KOLCDFICSA-N 0 3 193.294 2.078 20 0 AEADHN C[C@@H](NCc1ncccc1F)C1CC1 131242429 491034623 /nfs/dbraw/zinc/03/46/23/491034623.db2.gz PPJXHGJZLCYLCA-MRVPVSSYSA-N 0 3 194.253 2.109 20 0 AEADHN CO[C@H](C)[C@H](C)NCc1ccsc1 132390337 491036306 /nfs/dbraw/zinc/03/63/06/491036306.db2.gz CSZHOCGYGSPQRZ-DTWKUNHWSA-N 0 3 199.319 2.261 20 0 AEADHN CC(C)[C@H](C)NCc1ncccc1F 131247981 491034611 /nfs/dbraw/zinc/03/46/11/491034611.db2.gz MSZFMNLXFBTKQF-VIFPVBQESA-N 0 3 196.269 2.355 20 0 AEADHN C[C@H](NCc1ncccc1F)C1CC1 131242211 491034667 /nfs/dbraw/zinc/03/46/67/491034667.db2.gz PPJXHGJZLCYLCA-QMMMGPOBSA-N 0 3 194.253 2.109 20 0 AEADHN Cc1ccc(CNC2CC=CC2)nc1 131375500 491034700 /nfs/dbraw/zinc/03/47/00/491034700.db2.gz IDUMSLSCAUHOKT-UHFFFAOYSA-N 0 3 188.274 2.198 20 0 AEADHN Cc1cc(CN[C@@H](C)CC2CC2)on1 133331761 491037505 /nfs/dbraw/zinc/03/75/05/491037505.db2.gz XOVSYLWBDULILT-QMMMGPOBSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1cc(CN[C@H](C)CC2CC2)on1 133331983 491037526 /nfs/dbraw/zinc/03/75/26/491037526.db2.gz XOVSYLWBDULILT-MRVPVSSYSA-N 0 3 194.278 2.261 20 0 AEADHN COC(C)(C)CN[C@@H](C)c1ccco1 133388324 491037577 /nfs/dbraw/zinc/03/75/77/491037577.db2.gz WPXWYRPGKURFPZ-VIFPVBQESA-N 0 3 197.278 2.355 20 0 AEADHN COC(C)(C)CN[C@@H](C)c1ccoc1 133397305 491037607 /nfs/dbraw/zinc/03/76/07/491037607.db2.gz SHFXYDLUQNSVGB-VIFPVBQESA-N 0 3 197.278 2.355 20 0 AEADHN COC(C)(C)CN[C@H](C)c1ccco1 133388534 491037620 /nfs/dbraw/zinc/03/76/20/491037620.db2.gz WPXWYRPGKURFPZ-SECBINFHSA-N 0 3 197.278 2.355 20 0 AEADHN COC(C)(C)CN[C@H](C)c1ccoc1 133397525 491037673 /nfs/dbraw/zinc/03/76/73/491037673.db2.gz SHFXYDLUQNSVGB-SECBINFHSA-N 0 3 197.278 2.355 20 0 AEADHN CCCCN[C@@H](CC)c1nccn1C 132073528 491035849 /nfs/dbraw/zinc/03/58/49/491035849.db2.gz QFXGLKBKIYNWNB-JTQLQIEISA-N 0 3 195.310 2.261 20 0 AEADHN CC[C@H](NCC(C)C)c1nccn1C 132070977 491035885 /nfs/dbraw/zinc/03/58/85/491035885.db2.gz MCVIGMNZXSZALJ-JTQLQIEISA-N 0 3 195.310 2.117 20 0 AEADHN CCCCN[C@H](CC)c1nccn1C 132073701 491035911 /nfs/dbraw/zinc/03/59/11/491035911.db2.gz QFXGLKBKIYNWNB-SNVBAGLBSA-N 0 3 195.310 2.261 20 0 AEADHN CC[C@@H](NCC(C)C)c1nccn1C 132071244 491035945 /nfs/dbraw/zinc/03/59/45/491035945.db2.gz MCVIGMNZXSZALJ-SNVBAGLBSA-N 0 3 195.310 2.117 20 0 AEADHN CO[C@H](C)[C@H](C)NCc1cccs1 132136435 491036038 /nfs/dbraw/zinc/03/60/38/491036038.db2.gz MIDILYZCKJFFCZ-DTWKUNHWSA-N 0 3 199.319 2.261 20 0 AEADHN CO[C@H](C)[C@@H](C)NCc1cccs1 132136631 491036045 /nfs/dbraw/zinc/03/60/45/491036045.db2.gz MIDILYZCKJFFCZ-RKDXNWHRSA-N 0 3 199.319 2.261 20 0 AEADHN CO[C@@H](C)[C@H](C)NCc1cccs1 132136797 491036049 /nfs/dbraw/zinc/03/60/49/491036049.db2.gz MIDILYZCKJFFCZ-IUCAKERBSA-N 0 3 199.319 2.261 20 0 AEADHN CO[C@@H](C)[C@@H](C)NCc1cccs1 132136975 491036071 /nfs/dbraw/zinc/03/60/71/491036071.db2.gz MIDILYZCKJFFCZ-BDAKNGLRSA-N 0 3 199.319 2.261 20 0 AEADHN CO[C@H](C)[C@@H](C)N[C@@H](C)c1ccco1 132228021 491036129 /nfs/dbraw/zinc/03/61/29/491036129.db2.gz OWUVVRPNMAZJKA-KXUCPTDWSA-N 0 3 197.278 2.354 20 0 AEADHN C[C@H](NCC1CC1)c1cncs1 132329052 491036159 /nfs/dbraw/zinc/03/61/59/491036159.db2.gz FDBJBPZPLZJPOM-ZETCQYMHSA-N 0 3 182.292 2.204 20 0 AEADHN CO[C@H](C)[C@@H](C)N[C@H](C)c1ccco1 132228199 491036192 /nfs/dbraw/zinc/03/61/92/491036192.db2.gz OWUVVRPNMAZJKA-OPRDCNLKSA-N 0 3 197.278 2.354 20 0 AEADHN C[C@@H](NCC1CC1)c1cncs1 132329290 491036223 /nfs/dbraw/zinc/03/62/23/491036223.db2.gz FDBJBPZPLZJPOM-SSDOTTSWSA-N 0 3 182.292 2.204 20 0 AEADHN CO[C@@H](C)[C@@H](C)NCc1ccsc1 132390944 491036255 /nfs/dbraw/zinc/03/62/55/491036255.db2.gz CSZHOCGYGSPQRZ-BDAKNGLRSA-N 0 3 199.319 2.261 20 0 AEADHN CO[C@H](C)[C@@H](C)NCc1ccsc1 132390511 491036284 /nfs/dbraw/zinc/03/62/84/491036284.db2.gz CSZHOCGYGSPQRZ-RKDXNWHRSA-N 0 3 199.319 2.261 20 0 AEADHN CO[C@@H](C)[C@H](C)NCc1ccsc1 132390703 491036342 /nfs/dbraw/zinc/03/63/42/491036342.db2.gz CSZHOCGYGSPQRZ-IUCAKERBSA-N 0 3 199.319 2.261 20 0 AEADHN CCNCc1ncc(C(C)C)s1 132372490 491036355 /nfs/dbraw/zinc/03/63/55/491036355.db2.gz RHZKPQLWRGWBRA-UHFFFAOYSA-N 0 3 184.308 2.376 20 0 AEADHN C[C@H](NCc1nccs1)C1CCC1 132478902 491036374 /nfs/dbraw/zinc/03/63/74/491036374.db2.gz IMAQTKZLCLBZRW-QMMMGPOBSA-N 0 3 196.319 2.421 20 0 AEADHN C[C@@H](NCc1nccs1)C1CCC1 132479111 491036431 /nfs/dbraw/zinc/03/64/31/491036431.db2.gz IMAQTKZLCLBZRW-MRVPVSSYSA-N 0 3 196.319 2.421 20 0 AEADHN C[C@H](NCc1cscn1)C1CCC1 133036947 491037232 /nfs/dbraw/zinc/03/72/32/491037232.db2.gz QGGFPQZXPQVXGO-QMMMGPOBSA-N 0 3 196.319 2.421 20 0 AEADHN C[C@@H](NCc1cscn1)C1CCC1 133037161 491037245 /nfs/dbraw/zinc/03/72/45/491037245.db2.gz QGGFPQZXPQVXGO-MRVPVSSYSA-N 0 3 196.319 2.421 20 0 AEADHN Cc1cc(CN[C@H](C)CC2CC2)no1 132682579 491036650 /nfs/dbraw/zinc/03/66/50/491036650.db2.gz WRWBRFFRLZWOJH-MRVPVSSYSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1cc(CN[C@@H](C)CC2CC2)no1 132682371 491036676 /nfs/dbraw/zinc/03/66/76/491036676.db2.gz WRWBRFFRLZWOJH-QMMMGPOBSA-N 0 3 194.278 2.261 20 0 AEADHN CC(C)NCc1cc(C(C)C)no1 132760503 491036810 /nfs/dbraw/zinc/03/68/10/491036810.db2.gz MZUBDMQQLRHKHN-UHFFFAOYSA-N 0 3 182.267 2.296 20 0 AEADHN CCc1noc(CC)c1CNC(C)C 132825855 491036852 /nfs/dbraw/zinc/03/68/52/491036852.db2.gz RGRLZKILTATETK-UHFFFAOYSA-N 0 3 196.294 2.297 20 0 AEADHN COC[C@H](NC(C)C)c1ccc(C)o1 132812587 491036860 /nfs/dbraw/zinc/03/68/60/491036860.db2.gz LDQKCGPRXYALFR-JTQLQIEISA-N 0 3 197.278 2.274 20 0 AEADHN COC[C@@H](NC(C)C)c1ccc(C)o1 132812360 491036952 /nfs/dbraw/zinc/03/69/52/491036952.db2.gz LDQKCGPRXYALFR-SNVBAGLBSA-N 0 3 197.278 2.274 20 0 AEADHN CCC[C@@H](CC)NCc1ccon1 132815050 491036958 /nfs/dbraw/zinc/03/69/58/491036958.db2.gz RAECNUSXBFTORQ-SECBINFHSA-N 0 3 182.267 2.343 20 0 AEADHN CCC[C@H](CC)NCc1ccon1 132815260 491036960 /nfs/dbraw/zinc/03/69/60/491036960.db2.gz RAECNUSXBFTORQ-VIFPVBQESA-N 0 3 182.267 2.343 20 0 AEADHN C[C@H](NC1CC1)c1ccc(F)cn1 133772833 491038255 /nfs/dbraw/zinc/03/82/55/491038255.db2.gz PBMVOMUVDZAVLV-ZETCQYMHSA-N 0 3 180.226 2.034 20 0 AEADHN C[C@@H](CN1CCOCC1)C(C)(C)C 201027460 491040289 /nfs/dbraw/zinc/04/02/89/491040289.db2.gz GXZQLEFDNUGRJO-JTQLQIEISA-N 0 3 185.311 2.001 20 0 AEADHN C[C@H](CN1CCOCC1)C(C)(C)C 201027494 491040298 /nfs/dbraw/zinc/04/02/98/491040298.db2.gz GXZQLEFDNUGRJO-SNVBAGLBSA-N 0 3 185.311 2.001 20 0 AEADHN CCC[C@H](O)CN[C@@H](C)c1ccco1 133593323 491037821 /nfs/dbraw/zinc/03/78/21/491037821.db2.gz NUJNCIAPKREJRA-UWVGGRQHSA-N 0 3 197.278 2.091 20 0 AEADHN CCC[C@@H](O)CN[C@@H](C)c1ccco1 133593485 491037830 /nfs/dbraw/zinc/03/78/30/491037830.db2.gz NUJNCIAPKREJRA-VHSXEESVSA-N 0 3 197.278 2.091 20 0 AEADHN CCC[C@H](O)CN[C@H](C)c1ccco1 133593608 491037874 /nfs/dbraw/zinc/03/78/74/491037874.db2.gz NUJNCIAPKREJRA-ZJUUUORDSA-N 0 3 197.278 2.091 20 0 AEADHN CCC[C@@H](O)CN[C@H](C)c1ccco1 133593777 491037884 /nfs/dbraw/zinc/03/78/84/491037884.db2.gz NUJNCIAPKREJRA-NXEZZACHSA-N 0 3 197.278 2.091 20 0 AEADHN CCC[C@H](O)CN[C@H](C)c1ccoc1 133621575 491037951 /nfs/dbraw/zinc/03/79/51/491037951.db2.gz NWDLBWWOVUTEON-KOLCDFICSA-N 0 3 197.278 2.091 20 0 AEADHN CCC[C@H](O)CN[C@@H](C)c1ccoc1 133621188 491037965 /nfs/dbraw/zinc/03/79/65/491037965.db2.gz NWDLBWWOVUTEON-ONGXEEELSA-N 0 3 197.278 2.091 20 0 AEADHN CCC[C@@H](O)CN[C@H](C)c1ccoc1 133621777 491037970 /nfs/dbraw/zinc/03/79/70/491037970.db2.gz NWDLBWWOVUTEON-MWLCHTKSSA-N 0 3 197.278 2.091 20 0 AEADHN CCC[C@@H](O)CN[C@@H](C)c1ccoc1 133621378 491038013 /nfs/dbraw/zinc/03/80/13/491038013.db2.gz NWDLBWWOVUTEON-GXSJLCMTSA-N 0 3 197.278 2.091 20 0 AEADHN CCN(CC)Cc1cnccc1C 212517874 491040450 /nfs/dbraw/zinc/04/04/50/491040450.db2.gz ALGBQHHLOGCFPX-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN C[C@@H](NC1CC1)c1ccc(F)cn1 133773057 491038161 /nfs/dbraw/zinc/03/81/61/491038161.db2.gz PBMVOMUVDZAVLV-SSDOTTSWSA-N 0 3 180.226 2.034 20 0 AEADHN C[C@H](NCC1CC1)c1ccc(F)cn1 133781092 491038247 /nfs/dbraw/zinc/03/82/47/491038247.db2.gz XCTMLMNCBRUXLX-QMMMGPOBSA-N 0 3 194.253 2.281 20 0 AEADHN C[C@@H](NCC1CC1)c1ccc(F)cn1 133781309 491038280 /nfs/dbraw/zinc/03/82/80/491038280.db2.gz XCTMLMNCBRUXLX-MRVPVSSYSA-N 0 3 194.253 2.281 20 0 AEADHN CC(C)OCCN[C@H](C)c1ccoc1 134083721 491038519 /nfs/dbraw/zinc/03/85/19/491038519.db2.gz SSGLLNOYNNYHEJ-SNVBAGLBSA-N 0 3 197.278 2.355 20 0 AEADHN CC(C)OCCN[C@@H](C)c1ccoc1 134083509 491038527 /nfs/dbraw/zinc/03/85/27/491038527.db2.gz SSGLLNOYNNYHEJ-JTQLQIEISA-N 0 3 197.278 2.355 20 0 AEADHN COC[C@@H](C)Nc1cc(C)cc(C)n1 134350516 491038743 /nfs/dbraw/zinc/03/87/43/491038743.db2.gz VBFINHQIDSEKFH-SNVBAGLBSA-N 0 3 194.278 2.145 20 0 AEADHN COC[C@H](C)Nc1cc(C)cc(C)n1 134350497 491038816 /nfs/dbraw/zinc/03/88/16/491038816.db2.gz VBFINHQIDSEKFH-JTQLQIEISA-N 0 3 194.278 2.145 20 0 AEADHN CO[C@@H](C)[C@@H](C)N[C@@H](C)c1ccco1 221806684 491040697 /nfs/dbraw/zinc/04/06/97/491040697.db2.gz OWUVVRPNMAZJKA-UTLUCORTSA-N 0 3 197.278 2.354 20 0 AEADHN Cc1n[nH]cc1[C@H](C)NC1CC=CC1 134581844 491039270 /nfs/dbraw/zinc/03/92/70/491039270.db2.gz UIRRXSRDFUXAAQ-QMMMGPOBSA-N 0 3 191.278 2.087 20 0 AEADHN Cc1n[nH]cc1[C@@H](C)NC1CC=CC1 134581821 491039303 /nfs/dbraw/zinc/03/93/03/491039303.db2.gz UIRRXSRDFUXAAQ-MRVPVSSYSA-N 0 3 191.278 2.087 20 0 AEADHN CCN(CC)[C@@H](C)c1ccccn1 138263775 491039824 /nfs/dbraw/zinc/03/98/24/491039824.db2.gz XMWIPSPBQGWEJH-JTQLQIEISA-N 0 3 178.279 2.484 20 0 AEADHN CCN(CC)Cc1ccc(C)nc1 138098467 491039832 /nfs/dbraw/zinc/03/98/32/491039832.db2.gz JVDVQSCJXCRROQ-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN CCN(CC)[C@H](C)c1ccccn1 138263892 491039835 /nfs/dbraw/zinc/03/98/35/491039835.db2.gz XMWIPSPBQGWEJH-SNVBAGLBSA-N 0 3 178.279 2.484 20 0 AEADHN C[C@H](O)CCCN[C@H](C)c1ccco1 228031667 491044304 /nfs/dbraw/zinc/04/43/04/491044304.db2.gz YTLWCFXFQWJANJ-VHSXEESVSA-N 0 3 197.278 2.091 20 0 AEADHN Cc1ccoc1CNCC1(C)CC1 224174975 491041509 /nfs/dbraw/zinc/04/15/09/491041509.db2.gz LFDJBDYWLLTCQC-UHFFFAOYSA-N 0 3 179.263 2.478 20 0 AEADHN CC1(CNCc2nccs2)CC1 224167808 491041520 /nfs/dbraw/zinc/04/15/20/491041520.db2.gz RTNCPKSUVFVHEX-UHFFFAOYSA-N 0 3 182.292 2.033 20 0 AEADHN CC1(CNCc2ccco2)CC1 224170626 491041542 /nfs/dbraw/zinc/04/15/42/491041542.db2.gz DJPZORGTCOWJTL-UHFFFAOYSA-N 0 3 165.236 2.169 20 0 AEADHN Cc1noc(C)c1CNCC1(C)CC1 224168884 491041560 /nfs/dbraw/zinc/04/15/60/491041560.db2.gz LJOKNLPFFDWUEC-UHFFFAOYSA-N 0 3 194.278 2.181 20 0 AEADHN Cc1ccc(CNCC2(C)CC2)o1 224168637 491041573 /nfs/dbraw/zinc/04/15/73/491041573.db2.gz LFJUZPHYUZDQPA-UHFFFAOYSA-N 0 3 179.263 2.478 20 0 AEADHN Cc1ncc(CNCC2(C)CC2)s1 224182166 491041605 /nfs/dbraw/zinc/04/16/05/491041605.db2.gz KBMABAOAZHDXKX-UHFFFAOYSA-N 0 3 196.319 2.341 20 0 AEADHN Cc1csc(CNCC2(C)CC2)n1 224174148 491041614 /nfs/dbraw/zinc/04/16/14/491041614.db2.gz XLPFXDCNYXIWSD-UHFFFAOYSA-N 0 3 196.319 2.341 20 0 AEADHN Cc1nc(CNCC2(C)CC2)cs1 224189496 491041647 /nfs/dbraw/zinc/04/16/47/491041647.db2.gz SXDUDEBNGNTXJY-UHFFFAOYSA-N 0 3 196.319 2.341 20 0 AEADHN CC1(CNCc2cncs2)CC1 225292860 491042098 /nfs/dbraw/zinc/04/20/98/491042098.db2.gz HTQXSXZWGGXBEY-UHFFFAOYSA-N 0 3 182.292 2.033 20 0 AEADHN CN(C)CCSc1cccs1 225360184 491042232 /nfs/dbraw/zinc/04/22/32/491042232.db2.gz ISDWHIHUIBZFFI-UHFFFAOYSA-N 0 3 187.333 2.402 20 0 AEADHN CC[C@H](C)CN1C[C@H](C)OC[C@@H]1C 226047764 491042394 /nfs/dbraw/zinc/04/23/94/491042394.db2.gz VXQQYVSNVSKGQA-DCAQKATOSA-N 0 3 185.311 2.142 20 0 AEADHN CCC1(CNCc2nccs2)CC1 226783959 491043150 /nfs/dbraw/zinc/04/31/50/491043150.db2.gz RAARPOODKPBJFU-UHFFFAOYSA-N 0 3 196.319 2.423 20 0 AEADHN C[C@H](O)CCCN[C@@H](C)c1ccoc1 228043574 491044237 /nfs/dbraw/zinc/04/42/37/491044237.db2.gz RMHPQNBGPGXTQX-UWVGGRQHSA-N 0 3 197.278 2.091 20 0 AEADHN C[C@H](O)CCCN[C@H](C)c1ccoc1 228043597 491044242 /nfs/dbraw/zinc/04/42/42/491044242.db2.gz RMHPQNBGPGXTQX-VHSXEESVSA-N 0 3 197.278 2.091 20 0 AEADHN C[C@@H](O)CCCN[C@H](C)c1ccoc1 228043586 491044256 /nfs/dbraw/zinc/04/42/56/491044256.db2.gz RMHPQNBGPGXTQX-NXEZZACHSA-N 0 3 197.278 2.091 20 0 AEADHN C[C@H](O)CCCN[C@@H](C)c1ccco1 228031643 491044266 /nfs/dbraw/zinc/04/42/66/491044266.db2.gz YTLWCFXFQWJANJ-UWVGGRQHSA-N 0 3 197.278 2.091 20 0 AEADHN C[C@H](NCCC[C@@H](C)O)c1ccoc1 228043565 491044285 /nfs/dbraw/zinc/04/42/85/491044285.db2.gz RMHPQNBGPGXTQX-ZJUUUORDSA-N 0 3 197.278 2.091 20 0 AEADHN C[C@H](NCCC[C@@H](C)O)c1ccco1 228031628 491044294 /nfs/dbraw/zinc/04/42/94/491044294.db2.gz YTLWCFXFQWJANJ-ZJUUUORDSA-N 0 3 197.278 2.091 20 0 AEADHN C[C@@H](O)CCCN[C@H](C)c1ccco1 228031654 491044299 /nfs/dbraw/zinc/04/42/99/491044299.db2.gz YTLWCFXFQWJANJ-NXEZZACHSA-N 0 3 197.278 2.091 20 0 AEADHN Cc1ccsc1CNC1CSC1 306319715 491048475 /nfs/dbraw/zinc/04/84/75/491048475.db2.gz VLPYXOXUMAUPFZ-UHFFFAOYSA-N 0 3 199.344 2.262 20 0 AEADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1ccco1 229383511 491045120 /nfs/dbraw/zinc/04/51/20/491045120.db2.gz OWUVVRPNMAZJKA-BBBLOLIVSA-N 0 3 197.278 2.354 20 0 AEADHN CC[C@]1(C)CN(CC(C)C)CCO1 306388543 491049910 /nfs/dbraw/zinc/04/99/10/491049910.db2.gz VMYCSHZJUGQKHM-LLVKDONJSA-N 0 3 185.311 2.143 20 0 AEADHN CC[C@@]1(C)CN(CC(C)C)CCO1 306388544 491049950 /nfs/dbraw/zinc/04/99/50/491049950.db2.gz VMYCSHZJUGQKHM-NSHDSACASA-N 0 3 185.311 2.143 20 0 AEADHN C[C@@H]1CCCC[C@H]1NCc1cocn1 306402693 491050153 /nfs/dbraw/zinc/05/01/53/491050153.db2.gz RCGOKVGVYUUCON-MWLCHTKSSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@H]1CCCC[C@@H]1NCc1cocn1 306402694 491050066 /nfs/dbraw/zinc/05/00/66/491050066.db2.gz RCGOKVGVYUUCON-ONGXEEELSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@H]1CCCC[C@H]1NCc1cocn1 306402691 491050076 /nfs/dbraw/zinc/05/00/76/491050076.db2.gz RCGOKVGVYUUCON-GXSJLCMTSA-N 0 3 194.278 2.343 20 0 AEADHN CC1(C)CC[C@H](NCc2cocn2)C1 306394729 491050102 /nfs/dbraw/zinc/05/01/02/491050102.db2.gz GGPBETHRRORIKN-VIFPVBQESA-N 0 3 194.278 2.343 20 0 AEADHN CC1(C)CC[C@@H](NCc2cocn2)C1 306394728 491050165 /nfs/dbraw/zinc/05/01/65/491050165.db2.gz GGPBETHRRORIKN-SECBINFHSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@@H]1CCCC[C@@H]1NCc1cocn1 306402692 491050167 /nfs/dbraw/zinc/05/01/67/491050167.db2.gz RCGOKVGVYUUCON-KOLCDFICSA-N 0 3 194.278 2.343 20 0 AEADHN FC(F)CN1CCC2(CC1)CC2 306452460 491051470 /nfs/dbraw/zinc/05/14/70/491051470.db2.gz XMMLQGJSCQVBND-UHFFFAOYSA-N 0 3 175.222 2.128 20 0 AEADHN CC1(C)CCC[C@@H]1NCc1cocn1 306613005 491053936 /nfs/dbraw/zinc/05/39/36/491053936.db2.gz JTBGDVXCTGSZGH-JTQLQIEISA-N 0 3 194.278 2.343 20 0 AEADHN CC1(C)CCC[C@H]1NCc1cocn1 306613006 491053964 /nfs/dbraw/zinc/05/39/64/491053964.db2.gz JTBGDVXCTGSZGH-SNVBAGLBSA-N 0 3 194.278 2.343 20 0 AEADHN CC1(C)CC(NCc2cncs2)C1 307195566 491059255 /nfs/dbraw/zinc/05/92/55/491059255.db2.gz RVBUXZXHAUGDEX-UHFFFAOYSA-N 0 3 196.319 2.421 20 0 AEADHN c1coc(CN2C3CCC2CC3)c1 306953896 491056994 /nfs/dbraw/zinc/05/69/94/491056994.db2.gz IYVFIKWLPUIBIA-UHFFFAOYSA-N 0 3 177.247 2.406 20 0 AEADHN CN(CCCF)Cc1ccccc1 306966280 491057156 /nfs/dbraw/zinc/05/71/56/491057156.db2.gz OIHMENOYNVDDRQ-UHFFFAOYSA-N 0 3 181.254 2.478 20 0 AEADHN CC(C)CCN1CCO[C@H](C)[C@@H]1C 306974613 491057241 /nfs/dbraw/zinc/05/72/41/491057241.db2.gz YLNCHTRQQFUBPP-WDEREUQCSA-N 0 3 185.311 2.142 20 0 AEADHN CC(C)CCN1CCO[C@H](C)[C@H]1C 306974610 491057251 /nfs/dbraw/zinc/05/72/51/491057251.db2.gz YLNCHTRQQFUBPP-GHMZBOCLSA-N 0 3 185.311 2.142 20 0 AEADHN CC(C)CCN1CCO[C@@H](C)[C@H]1C 306974611 491057282 /nfs/dbraw/zinc/05/72/82/491057282.db2.gz YLNCHTRQQFUBPP-MNOVXSKESA-N 0 3 185.311 2.142 20 0 AEADHN CC(C)CCN1CCO[C@@H](C)[C@@H]1C 306974612 491057308 /nfs/dbraw/zinc/05/73/08/491057308.db2.gz YLNCHTRQQFUBPP-QWRGUYRKSA-N 0 3 185.311 2.142 20 0 AEADHN COc1ccnc(NCC2(C)CC2)c1 307351031 491061059 /nfs/dbraw/zinc/06/10/59/491061059.db2.gz BAMQFPOCSZKZSH-UHFFFAOYSA-N 0 3 192.262 2.302 20 0 AEADHN CC(C)=CCN1CCCOC[C@@H]1C 307669735 491066814 /nfs/dbraw/zinc/06/68/14/491066814.db2.gz STCJDNIHJARLHO-NSHDSACASA-N 0 3 183.295 2.063 20 0 AEADHN CC(C)=CCN1CCCOC[C@H]1C 307669734 491066954 /nfs/dbraw/zinc/06/69/54/491066954.db2.gz STCJDNIHJARLHO-LLVKDONJSA-N 0 3 183.295 2.063 20 0 AEADHN CCCN1CCO[C@@H](C(C)(C)C)C1 307694813 491068179 /nfs/dbraw/zinc/06/81/79/491068179.db2.gz XYTIYMXEODTIFW-SNVBAGLBSA-N 0 3 185.311 2.143 20 0 AEADHN CCCN1CCO[C@H](C(C)(C)C)C1 307694812 491068213 /nfs/dbraw/zinc/06/82/13/491068213.db2.gz XYTIYMXEODTIFW-JTQLQIEISA-N 0 3 185.311 2.143 20 0 AEADHN c1ncc(CN2C3CCC2CC3)s1 307750510 491070182 /nfs/dbraw/zinc/07/01/82/491070182.db2.gz KKEXIKREAQVBSA-UHFFFAOYSA-N 0 3 194.303 2.270 20 0 AEADHN CCCN(CC)Cc1cncs1 307950612 491072568 /nfs/dbraw/zinc/07/25/68/491072568.db2.gz NTPDQQJARBTSFE-UHFFFAOYSA-N 0 3 184.308 2.375 20 0 AEADHN CCN(C)C[C@@H](C)c1nccs1 307964154 491073258 /nfs/dbraw/zinc/07/32/58/491073258.db2.gz ZSPURVNQVYCFJD-MRVPVSSYSA-N 0 3 184.308 2.198 20 0 AEADHN CCN(C)C[C@H](C)c1nccs1 307964155 491073316 /nfs/dbraw/zinc/07/33/16/491073316.db2.gz ZSPURVNQVYCFJD-QMMMGPOBSA-N 0 3 184.308 2.198 20 0 AEADHN CC(C)[C@H]1C[C@@H](NCCF)CS1 307968222 491073691 /nfs/dbraw/zinc/07/36/91/491073691.db2.gz USNHGQLONLMCGC-RKDXNWHRSA-N 0 3 191.315 2.076 20 0 AEADHN CC(C)[C@@H]1C[C@H](NCCF)CS1 307968221 491073707 /nfs/dbraw/zinc/07/37/07/491073707.db2.gz USNHGQLONLMCGC-IUCAKERBSA-N 0 3 191.315 2.076 20 0 AEADHN C[C@@H](NCCCF)c1cncs1 307968228 491073748 /nfs/dbraw/zinc/07/37/48/491073748.db2.gz UTHGWJIVYIKFTK-SSDOTTSWSA-N 0 3 188.271 2.153 20 0 AEADHN C[C@H](NCCCF)c1cncs1 307968229 491073770 /nfs/dbraw/zinc/07/37/70/491073770.db2.gz UTHGWJIVYIKFTK-ZETCQYMHSA-N 0 3 188.271 2.153 20 0 AEADHN CC(C)[C@@H]1C[C@@H](NCCF)CS1 307968219 491073772 /nfs/dbraw/zinc/07/37/72/491073772.db2.gz USNHGQLONLMCGC-BDAKNGLRSA-N 0 3 191.315 2.076 20 0 AEADHN CC(C)[C@H]1C[C@H](NCCF)CS1 307968220 491073796 /nfs/dbraw/zinc/07/37/96/491073796.db2.gz USNHGQLONLMCGC-DTWKUNHWSA-N 0 3 191.315 2.076 20 0 AEADHN C[C@H](NCCCF)c1ccoc1 308013947 491076096 /nfs/dbraw/zinc/07/60/96/491076096.db2.gz QOWANSBTPYZIDS-QMMMGPOBSA-N 0 3 171.215 2.290 20 0 AEADHN C[C@@H](NCCCF)c1ccoc1 308013946 491076105 /nfs/dbraw/zinc/07/61/05/491076105.db2.gz QOWANSBTPYZIDS-MRVPVSSYSA-N 0 3 171.215 2.290 20 0 AEADHN CCCCN(C)Cc1cncs1 307995279 491075137 /nfs/dbraw/zinc/07/51/37/491075137.db2.gz VXAAAQQNFSOSCR-UHFFFAOYSA-N 0 3 184.308 2.375 20 0 AEADHN CN(CCCF)Cc1ccco1 308000476 491075410 /nfs/dbraw/zinc/07/54/10/491075410.db2.gz ZFOIRWYXNORGMT-UHFFFAOYSA-N 0 3 171.215 2.071 20 0 AEADHN CC/C=C\CCN1CCSCC1 308052466 491076891 /nfs/dbraw/zinc/07/68/91/491076891.db2.gz SOPXOWRMGXOLDZ-ARJAWSKDSA-N 0 3 185.336 2.392 20 0 AEADHN CC/C=C/CCN1CCSCC1 308052468 491077056 /nfs/dbraw/zinc/07/70/56/491077056.db2.gz SOPXOWRMGXOLDZ-ONEGZZNKSA-N 0 3 185.336 2.392 20 0 AEADHN FCCCCCN1CCSCC1 308087497 491077931 /nfs/dbraw/zinc/07/79/31/491077931.db2.gz PYSVPOIVBJUEAO-UHFFFAOYSA-N 0 3 191.315 2.175 20 0 AEADHN CC(C)C1CC(N[C@H](C)CF)C1 308113444 491078637 /nfs/dbraw/zinc/07/86/37/491078637.db2.gz LGORXWIYYCLJHJ-XNWIYYODSA-N 0 3 173.275 2.369 20 0 AEADHN CCCN(CCC)Cc1cn[nH]c1 308145454 491080742 /nfs/dbraw/zinc/08/07/42/491080742.db2.gz AEKOAPHWLITQJB-UHFFFAOYSA-N 0 3 181.283 2.032 20 0 AEADHN CCN(CC)Cc1cncc(F)c1 308147178 491080744 /nfs/dbraw/zinc/08/07/44/491080744.db2.gz OUSFXVWQUYNLEU-UHFFFAOYSA-N 0 3 182.242 2.063 20 0 AEADHN Cc1occc1SCCN(C)C 308147863 491081037 /nfs/dbraw/zinc/08/10/37/491081037.db2.gz LENZGVLTJJDUBM-UHFFFAOYSA-N 0 3 185.292 2.242 20 0 AEADHN CCCCN1CCOC[C@]1(C)CC 308168717 491082332 /nfs/dbraw/zinc/08/23/32/491082332.db2.gz AOHWJGPQUGOXRW-NSHDSACASA-N 0 3 185.311 2.287 20 0 AEADHN CCCCN1CCOC[C@@]1(C)CC 308168716 491082351 /nfs/dbraw/zinc/08/23/51/491082351.db2.gz AOHWJGPQUGOXRW-LLVKDONJSA-N 0 3 185.311 2.287 20 0 AEADHN CCN(Cc1scnc1C)C1CC1 308175167 491082629 /nfs/dbraw/zinc/08/26/29/491082629.db2.gz DAOCZEQZKXUGDY-UHFFFAOYSA-N 0 3 196.319 2.436 20 0 AEADHN Cc1cccc(C)c1CNCCF 308176051 491082658 /nfs/dbraw/zinc/08/26/58/491082658.db2.gz FISYUWBTNBXBKE-UHFFFAOYSA-N 0 3 181.254 2.363 20 0 AEADHN Cc1ccc(CNCCF)cc1C 308177405 491082760 /nfs/dbraw/zinc/08/27/60/491082760.db2.gz FWPRPHWAPIUUSJ-UHFFFAOYSA-N 0 3 181.254 2.363 20 0 AEADHN CCCCN1CCO[C@@](C)(CC)C1 308247833 491087801 /nfs/dbraw/zinc/08/78/01/491087801.db2.gz YGRBRSPZMDYXKL-NSHDSACASA-N 0 3 185.311 2.287 20 0 AEADHN CCCCN1CCO[C@](C)(CC)C1 308247832 491087808 /nfs/dbraw/zinc/08/78/08/491087808.db2.gz YGRBRSPZMDYXKL-LLVKDONJSA-N 0 3 185.311 2.287 20 0 AEADHN FC(F)C1(CNCC2(F)CC2)CC1 308185092 491083198 /nfs/dbraw/zinc/08/31/98/491083198.db2.gz IRFSSIKJIMEPHW-UHFFFAOYSA-N 0 3 193.212 2.123 20 0 AEADHN Cc1ccc(C)c(CNCCF)c1 308184585 491083249 /nfs/dbraw/zinc/08/32/49/491083249.db2.gz IXAKPKAVDNFBMS-UHFFFAOYSA-N 0 3 181.254 2.363 20 0 AEADHN Cc1ccc(CNCCF)c(C)c1 308201198 491083853 /nfs/dbraw/zinc/08/38/53/491083853.db2.gz VFONLZXZDORMLG-UHFFFAOYSA-N 0 3 181.254 2.363 20 0 AEADHN Cc1cccc(CNCCF)c1C 308198146 491084003 /nfs/dbraw/zinc/08/40/03/491084003.db2.gz SNXVPDFUHBXRGR-UHFFFAOYSA-N 0 3 181.254 2.363 20 0 AEADHN CC(C)(NCCF)c1ccccc1 308206986 491084123 /nfs/dbraw/zinc/08/41/23/491084123.db2.gz ZNVMQXJSGRSHQA-UHFFFAOYSA-N 0 3 181.254 2.481 20 0 AEADHN Cc1cc(C)cc(CNCCF)c1 308207266 491084203 /nfs/dbraw/zinc/08/42/03/491084203.db2.gz ZTSVAGGFVIOKCD-UHFFFAOYSA-N 0 3 181.254 2.363 20 0 AEADHN CCN(CC)Cc1cccnc1C 308204566 491084221 /nfs/dbraw/zinc/08/42/21/491084221.db2.gz GYMFPBAJBMMJDE-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN CCCN(CC)Cc1cccn1C 308221758 491085588 /nfs/dbraw/zinc/08/55/88/491085588.db2.gz LLAMKMJLGIGMIK-UHFFFAOYSA-N 0 3 180.295 2.257 20 0 AEADHN CCCCN(C)Cc1cccn1C 308221442 491085606 /nfs/dbraw/zinc/08/56/06/491085606.db2.gz LIOXEXFIQJSUAM-UHFFFAOYSA-N 0 3 180.295 2.257 20 0 AEADHN CC(C)CCCN1CCOC[C@H]1C 308225684 491086044 /nfs/dbraw/zinc/08/60/44/491086044.db2.gz DSFQFPHLDRFUFX-LLVKDONJSA-N 0 3 185.311 2.143 20 0 AEADHN CCCN(C)Cc1ncccc1C 308239428 491087018 /nfs/dbraw/zinc/08/70/18/491087018.db2.gz SBKMIACTRYWQJM-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN CCCCN1CCO[C@@H](CCC)C1 308238650 491087022 /nfs/dbraw/zinc/08/70/22/491087022.db2.gz RUIRKHGCOWKVPJ-NSHDSACASA-N 0 3 185.311 2.287 20 0 AEADHN CCCCN1CCO[C@H](CCC)C1 308238648 491087033 /nfs/dbraw/zinc/08/70/33/491087033.db2.gz RUIRKHGCOWKVPJ-LLVKDONJSA-N 0 3 185.311 2.287 20 0 AEADHN CCCN(C)Cc1ccc(C)nc1 308245501 491087151 /nfs/dbraw/zinc/08/71/51/491087151.db2.gz VIEZLHGTZSMURK-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN CCN(CCCF)Cc1ccoc1 308246099 491087410 /nfs/dbraw/zinc/08/74/10/491087410.db2.gz VWLRLRVVTNLMOG-UHFFFAOYSA-N 0 3 185.242 2.461 20 0 AEADHN FCCCN1CCC(C(F)F)CC1 308248205 491087682 /nfs/dbraw/zinc/08/76/82/491087682.db2.gz YZKJYFUIHQFFRJ-UHFFFAOYSA-N 0 3 195.228 2.323 20 0 AEADHN CCCN(C)Cc1oc(C)nc1C 308248549 491088167 /nfs/dbraw/zinc/08/81/67/491088167.db2.gz ZOTXBGJBCJJJCL-UHFFFAOYSA-N 0 3 182.267 2.133 20 0 AEADHN CC[C@@H](C)N(C)Cc1cccnc1 308284927 491092226 /nfs/dbraw/zinc/09/22/26/491092226.db2.gz CZBPRVLJMTZNAE-SNVBAGLBSA-N 0 3 178.279 2.312 20 0 AEADHN CC1(CCNCc2nccs2)CC1 308252292 491088817 /nfs/dbraw/zinc/08/88/17/491088817.db2.gz IEWJBSBITGVNOG-UHFFFAOYSA-N 0 3 196.319 2.423 20 0 AEADHN CCCCN(CC)Cc1ccno1 308285661 491092491 /nfs/dbraw/zinc/09/24/91/491092491.db2.gz AUFHITCTQUKJEX-UHFFFAOYSA-N 0 3 182.267 2.297 20 0 AEADHN Cc1cccc(CN[C@H](C)CF)c1 308261536 491089687 /nfs/dbraw/zinc/08/96/87/491089687.db2.gz NQCIVQYKXNMOQG-SNVBAGLBSA-N 0 3 181.254 2.443 20 0 AEADHN CCC[C@H](C)N(C)Cc1cn[nH]c1 308285998 491092519 /nfs/dbraw/zinc/09/25/19/491092519.db2.gz DMBWUULAGFNRPZ-VIFPVBQESA-N 0 3 181.283 2.030 20 0 AEADHN C[C@@H](C1CC1)N(C)Cc1cncs1 308267888 491090408 /nfs/dbraw/zinc/09/04/08/491090408.db2.gz QOPWJRXGBZMGMF-QMMMGPOBSA-N 0 3 196.319 2.373 20 0 AEADHN C[C@H](C1CC1)N(C)Cc1cncs1 308267887 491090414 /nfs/dbraw/zinc/09/04/14/491090414.db2.gz QOPWJRXGBZMGMF-MRVPVSSYSA-N 0 3 196.319 2.373 20 0 AEADHN Cc1cnc(CNC[C@@H]2C[C@H]2C)s1 308279121 491091857 /nfs/dbraw/zinc/09/18/57/491091857.db2.gz WKHCHCJUFKYJAG-APPZFPTMSA-N 0 3 196.319 2.197 20 0 AEADHN Cc1cnc(CNC[C@H]2C[C@@H]2C)s1 308279125 491091872 /nfs/dbraw/zinc/09/18/72/491091872.db2.gz WKHCHCJUFKYJAG-IONNQARKSA-N 0 3 196.319 2.197 20 0 AEADHN Cc1cnc(CNC[C@@H]2C[C@@H]2C)s1 308279124 491091927 /nfs/dbraw/zinc/09/19/27/491091927.db2.gz WKHCHCJUFKYJAG-CBAPKCEASA-N 0 3 196.319 2.197 20 0 AEADHN Cc1cnc(CNC[C@H]2C[C@H]2C)s1 308279128 491091960 /nfs/dbraw/zinc/09/19/60/491091960.db2.gz WKHCHCJUFKYJAG-VXNVDRBHSA-N 0 3 196.319 2.197 20 0 AEADHN CC[C@H](C)N(C)Cc1cccnc1 308284926 491092176 /nfs/dbraw/zinc/09/21/76/491092176.db2.gz CZBPRVLJMTZNAE-JTQLQIEISA-N 0 3 178.279 2.312 20 0 AEADHN CCC[C@@H](C)N(C)Cc1cn[nH]c1 308285995 491092399 /nfs/dbraw/zinc/09/23/99/491092399.db2.gz DMBWUULAGFNRPZ-SECBINFHSA-N 0 3 181.283 2.030 20 0 AEADHN CCC[C@@H](NCCO)c1ccsc1 308285651 491092447 /nfs/dbraw/zinc/09/24/47/491092447.db2.gz BSHJGKNWYKDLQO-SNVBAGLBSA-N 0 3 199.319 2.171 20 0 AEADHN CCC[C@H](NCCO)c1ccsc1 308285650 491092586 /nfs/dbraw/zinc/09/25/86/491092586.db2.gz BSHJGKNWYKDLQO-JTQLQIEISA-N 0 3 199.319 2.171 20 0 AEADHN CCC(C)(C)N(C)Cc1c[nH]cn1 308292366 491093723 /nfs/dbraw/zinc/09/37/23/491093723.db2.gz HYJJOPRVZMXLRG-UHFFFAOYSA-N 0 3 181.283 2.030 20 0 AEADHN CCC(C)(C)N(C)Cc1cnc[nH]1 308292366 491093724 /nfs/dbraw/zinc/09/37/24/491093724.db2.gz HYJJOPRVZMXLRG-UHFFFAOYSA-N 0 3 181.283 2.030 20 0 AEADHN CC[C@H](C)N(C)Cc1ccncc1 308294161 491093946 /nfs/dbraw/zinc/09/39/46/491093946.db2.gz JBPUPQBZIIQKSO-JTQLQIEISA-N 0 3 178.279 2.312 20 0 AEADHN CC[C@@H](C)N(C)Cc1ccncc1 308294164 491094016 /nfs/dbraw/zinc/09/40/16/491094016.db2.gz JBPUPQBZIIQKSO-SNVBAGLBSA-N 0 3 178.279 2.312 20 0 AEADHN C[C@H]1C[C@@H]1CN(C)Cc1ccoc1 308315946 491096069 /nfs/dbraw/zinc/09/60/69/491096069.db2.gz VMEJECCASNGHTJ-GXSJLCMTSA-N 0 3 179.263 2.367 20 0 AEADHN C[C@@H]1C[C@@H]1CN(C)Cc1ccoc1 308315948 491096078 /nfs/dbraw/zinc/09/60/78/491096078.db2.gz VMEJECCASNGHTJ-MWLCHTKSSA-N 0 3 179.263 2.367 20 0 AEADHN C[C@@H]1C[C@H]1CN(C)Cc1ccoc1 308315947 491096087 /nfs/dbraw/zinc/09/60/87/491096087.db2.gz VMEJECCASNGHTJ-KOLCDFICSA-N 0 3 179.263 2.367 20 0 AEADHN C[C@H]1C[C@H]1CN(C)Cc1ccoc1 308315949 491096183 /nfs/dbraw/zinc/09/61/83/491096183.db2.gz VMEJECCASNGHTJ-ONGXEEELSA-N 0 3 179.263 2.367 20 0 AEADHN CCC[C@H](C)N(C)Cc1c[nH]cn1 308317757 491096326 /nfs/dbraw/zinc/09/63/26/491096326.db2.gz WQOIZOTXSHEXKD-VIFPVBQESA-N 0 3 181.283 2.030 20 0 AEADHN CCC[C@H](C)N(C)Cc1cnc[nH]1 308317757 491096327 /nfs/dbraw/zinc/09/63/27/491096327.db2.gz WQOIZOTXSHEXKD-VIFPVBQESA-N 0 3 181.283 2.030 20 0 AEADHN CCC[C@@H](C)N(C)Cc1c[nH]cn1 308317756 491096434 /nfs/dbraw/zinc/09/64/34/491096434.db2.gz WQOIZOTXSHEXKD-SECBINFHSA-N 0 3 181.283 2.030 20 0 AEADHN CCC[C@@H](C)N(C)Cc1cnc[nH]1 308317756 491096435 /nfs/dbraw/zinc/09/64/35/491096435.db2.gz WQOIZOTXSHEXKD-SECBINFHSA-N 0 3 181.283 2.030 20 0 AEADHN CC[C@@H](C)[C@H](C)NCc1cocn1 308320761 491096496 /nfs/dbraw/zinc/09/64/96/491096496.db2.gz YOHGXKPIZCFCTN-BDAKNGLRSA-N 0 3 182.267 2.199 20 0 AEADHN CC[C@H](C)[C@H](C)NCc1cocn1 308321084 491096559 /nfs/dbraw/zinc/09/65/59/491096559.db2.gz YOHGXKPIZCFCTN-IUCAKERBSA-N 0 3 182.267 2.199 20 0 AEADHN CC[C@@H](C)[C@@H](C)NCc1cocn1 308321085 491096566 /nfs/dbraw/zinc/09/65/66/491096566.db2.gz YOHGXKPIZCFCTN-RKDXNWHRSA-N 0 3 182.267 2.199 20 0 AEADHN CC[C@H](C)[C@@H](C)NCc1cocn1 308320762 491096571 /nfs/dbraw/zinc/09/65/71/491096571.db2.gz YOHGXKPIZCFCTN-DTWKUNHWSA-N 0 3 182.267 2.199 20 0 AEADHN c1ncc(CNC2(C3CC3)CC2)s1 308327349 491097353 /nfs/dbraw/zinc/09/73/53/491097353.db2.gz HJALVTMWSQVWCX-UHFFFAOYSA-N 0 3 194.303 2.175 20 0 AEADHN CCC[C@@H]1CN([C@H](C)CC)CCO1 308328411 491097500 /nfs/dbraw/zinc/09/75/00/491097500.db2.gz HERISUYQXHAFHS-GHMZBOCLSA-N 0 3 185.311 2.286 20 0 AEADHN CCC[C@H]1CN([C@H](C)CC)CCO1 308328412 491097513 /nfs/dbraw/zinc/09/75/13/491097513.db2.gz HERISUYQXHAFHS-MNOVXSKESA-N 0 3 185.311 2.286 20 0 AEADHN CCC[C@H]1CN([C@@H](C)CC)CCO1 308328413 491097532 /nfs/dbraw/zinc/09/75/32/491097532.db2.gz HERISUYQXHAFHS-QWRGUYRKSA-N 0 3 185.311 2.286 20 0 AEADHN CCC[C@@H]1CN([C@@H](C)CC)CCO1 308328414 491097558 /nfs/dbraw/zinc/09/75/58/491097558.db2.gz HERISUYQXHAFHS-WDEREUQCSA-N 0 3 185.311 2.286 20 0 AEADHN CN(CCCF)CCOC(C)(C)C 308377619 491099922 /nfs/dbraw/zinc/09/99/22/491099922.db2.gz SZXQWNBRNTXKLJ-UHFFFAOYSA-N 0 3 191.290 2.093 20 0 AEADHN Cc1occc1CNCC1(C)CC1 308386994 491100391 /nfs/dbraw/zinc/10/03/91/491100391.db2.gz VDGJBCJACFWWBY-UHFFFAOYSA-N 0 3 179.263 2.478 20 0 AEADHN CC[C@@H](CNCc1ccsc1)OC 308396675 491101016 /nfs/dbraw/zinc/10/10/16/491101016.db2.gz DQGLSTLKTSAJMQ-JTQLQIEISA-N 0 3 199.319 2.263 20 0 AEADHN CC[C@H](CNCc1ccsc1)OC 308396676 491101101 /nfs/dbraw/zinc/10/11/01/491101101.db2.gz DQGLSTLKTSAJMQ-SNVBAGLBSA-N 0 3 199.319 2.263 20 0 AEADHN CN(C)CCSc1cccc(F)c1 308409559 491101980 /nfs/dbraw/zinc/10/19/80/491101980.db2.gz LEDAPNVLELPJGK-UHFFFAOYSA-N 0 3 199.294 2.479 20 0 AEADHN CCN(CC)Cc1oc(C)nc1C 308411542 491102165 /nfs/dbraw/zinc/10/21/65/491102165.db2.gz LQMLTLJKKDQLIG-UHFFFAOYSA-N 0 3 182.267 2.133 20 0 AEADHN CCCCN(CC)Cc1cn[nH]c1 308421800 491102834 /nfs/dbraw/zinc/10/28/34/491102834.db2.gz OZOAJKHSGPZPRG-UHFFFAOYSA-N 0 3 181.283 2.032 20 0 AEADHN CC[C@@H](CNCc1cccs1)OC 308424901 491102952 /nfs/dbraw/zinc/10/29/52/491102952.db2.gz QNMVSNDHRVWHOD-VIFPVBQESA-N 0 3 199.319 2.263 20 0 AEADHN CC[C@H](CNCc1cccs1)OC 308424899 491103032 /nfs/dbraw/zinc/10/30/32/491103032.db2.gz QNMVSNDHRVWHOD-SECBINFHSA-N 0 3 199.319 2.263 20 0 AEADHN CCCN(CCC)Cc1cc[nH]n1 308432340 491103670 /nfs/dbraw/zinc/10/36/70/491103670.db2.gz UIQNTKUXQQUYPU-UHFFFAOYSA-N 0 3 181.283 2.032 20 0 AEADHN Cc1nc(CCN(C)C2CC2)cs1 308450503 491105066 /nfs/dbraw/zinc/10/50/66/491105066.db2.gz DGLRRWJHNMFNRC-UHFFFAOYSA-N 0 3 196.319 2.088 20 0 AEADHN C[C@H](NCCC(C)(C)O)c1ccoc1 308457864 491105479 /nfs/dbraw/zinc/10/54/79/491105479.db2.gz DNWPHWIEWLXDKM-VIFPVBQESA-N 0 3 197.278 2.091 20 0 AEADHN CCN(Cc1cccn1C)C1CC1 308458508 491105508 /nfs/dbraw/zinc/10/55/08/491105508.db2.gz GRPSKGQNSPJICD-UHFFFAOYSA-N 0 3 178.279 2.009 20 0 AEADHN C[C@@H](NCCC(C)(C)O)c1ccoc1 308457862 491105580 /nfs/dbraw/zinc/10/55/80/491105580.db2.gz DNWPHWIEWLXDKM-SECBINFHSA-N 0 3 197.278 2.091 20 0 AEADHN CN(CCCCF)Cc1ccco1 308468302 491105689 /nfs/dbraw/zinc/10/56/89/491105689.db2.gz JSLISOLCPVMKOZ-UHFFFAOYSA-N 0 3 185.242 2.461 20 0 AEADHN CC(C)C(NCc1ncc[nH]1)C(C)C 308467303 491105709 /nfs/dbraw/zinc/10/57/09/491105709.db2.gz IFYJSXVIVOWXIE-UHFFFAOYSA-N 0 3 195.310 2.180 20 0 AEADHN COCCNC(C)(C)c1cccs1 308464273 491105736 /nfs/dbraw/zinc/10/57/36/491105736.db2.gz IPXKNODIDNKVOK-UHFFFAOYSA-N 0 3 199.319 2.219 20 0 AEADHN CCC[C@@H]1C[C@H]1N[C@H](C)c1cn[nH]c1 308511465 491109420 /nfs/dbraw/zinc/10/94/20/491109420.db2.gz CHDHBNMRTSDWAJ-FXPVBKGRSA-N 0 3 193.294 2.249 20 0 AEADHN CCC[C@@H]1C[C@H]1N[C@@H](C)c1cn[nH]c1 308511466 491109424 /nfs/dbraw/zinc/10/94/24/491109424.db2.gz CHDHBNMRTSDWAJ-IQJOONFLSA-N 0 3 193.294 2.249 20 0 AEADHN CCC[C@@H]1C[C@@H]1N[C@H](C)c1cn[nH]c1 308511467 491109431 /nfs/dbraw/zinc/10/94/31/491109431.db2.gz CHDHBNMRTSDWAJ-KKZNHRDASA-N 0 3 193.294 2.249 20 0 AEADHN Cc1occc1CN(C)CCCF 308474725 491106330 /nfs/dbraw/zinc/10/63/30/491106330.db2.gz LOHURLBYXAJUAP-UHFFFAOYSA-N 0 3 185.242 2.379 20 0 AEADHN CCC[C@H](C)N1CCO[C@H](CC)C1 308483672 491106684 /nfs/dbraw/zinc/10/66/84/491106684.db2.gz OEANFQSYJJPCQD-WDEREUQCSA-N 0 3 185.311 2.286 20 0 AEADHN CCC[C@H](C)N1CCO[C@@H](CC)C1 308483664 491106747 /nfs/dbraw/zinc/10/67/47/491106747.db2.gz OEANFQSYJJPCQD-QWRGUYRKSA-N 0 3 185.311 2.286 20 0 AEADHN CC(C)=CCNCc1cccnc1C 308484839 491106764 /nfs/dbraw/zinc/10/67/64/491106764.db2.gz NSTAZMDLDHBLLV-UHFFFAOYSA-N 0 3 190.290 2.446 20 0 AEADHN CCC[C@@H](C)N1CCO[C@@H](CC)C1 308483658 491106799 /nfs/dbraw/zinc/10/67/99/491106799.db2.gz OEANFQSYJJPCQD-MNOVXSKESA-N 0 3 185.311 2.286 20 0 AEADHN CCC[C@@H]1C[C@@H]1N[C@@H](C)c1cn[nH]c1 308511468 491109507 /nfs/dbraw/zinc/10/95/07/491109507.db2.gz CHDHBNMRTSDWAJ-NGZCFLSTSA-N 0 3 193.294 2.249 20 0 AEADHN CCC[C@@H](C)N1CCO[C@H](CC)C1 308483651 491106814 /nfs/dbraw/zinc/10/68/14/491106814.db2.gz OEANFQSYJJPCQD-GHMZBOCLSA-N 0 3 185.311 2.286 20 0 AEADHN CC[C@H](C)N[C@H](CCO)c1ccco1 308507978 491109151 /nfs/dbraw/zinc/10/91/51/491109151.db2.gz JNFCFXKWDNRMLU-VHSXEESVSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@H](C)[C@@H](C)NCc1n[nH]cc1C 308499107 491108072 /nfs/dbraw/zinc/10/80/72/491108072.db2.gz FPOHVCJUVQZYSY-WCBMZHEXSA-N 0 3 195.310 2.242 20 0 AEADHN CC[C@@H](C)[C@@H](C)NCc1n[nH]cc1C 308499105 491108098 /nfs/dbraw/zinc/10/80/98/491108098.db2.gz FPOHVCJUVQZYSY-PSASIEDQSA-N 0 3 195.310 2.242 20 0 AEADHN CC[C@@H](C)[C@H](C)NCc1n[nH]cc1C 308499106 491108121 /nfs/dbraw/zinc/10/81/21/491108121.db2.gz FPOHVCJUVQZYSY-SCZZXKLOSA-N 0 3 195.310 2.242 20 0 AEADHN CC[C@H](C)[C@H](C)NCc1n[nH]cc1C 308499108 491108172 /nfs/dbraw/zinc/10/81/72/491108172.db2.gz FPOHVCJUVQZYSY-WPRPVWTQSA-N 0 3 195.310 2.242 20 0 AEADHN CC[C@@H](C)N[C@@H](CCO)c1ccco1 308507979 491109207 /nfs/dbraw/zinc/10/92/07/491109207.db2.gz JNFCFXKWDNRMLU-ZJUUUORDSA-N 0 3 197.278 2.091 20 0 AEADHN CC[C@@H](C)N[C@H](CCO)c1ccco1 308507974 491109213 /nfs/dbraw/zinc/10/92/13/491109213.db2.gz JNFCFXKWDNRMLU-NXEZZACHSA-N 0 3 197.278 2.091 20 0 AEADHN CCc1cc(CNCC2(C)CC2)on1 308501678 491108487 /nfs/dbraw/zinc/10/84/87/491108487.db2.gz GXZFYKAEIGJVMK-UHFFFAOYSA-N 0 3 194.278 2.127 20 0 AEADHN Cc1c[nH]nc1CN[C@H](C)CC(C)C 308503709 491108632 /nfs/dbraw/zinc/10/86/32/491108632.db2.gz HRYJMLDFMBSWGV-SNVBAGLBSA-N 0 3 195.310 2.242 20 0 AEADHN CC[C@H](C)N[C@@H](CCO)c1ccco1 308507975 491109246 /nfs/dbraw/zinc/10/92/46/491109246.db2.gz JNFCFXKWDNRMLU-UWVGGRQHSA-N 0 3 197.278 2.091 20 0 AEADHN CO[C@@H](C)[C@@H](C)N[C@H](C)c1ccoc1 308502042 491108671 /nfs/dbraw/zinc/10/86/71/491108671.db2.gz HAVZFGDKQOGZBN-BBBLOLIVSA-N 0 3 197.278 2.354 20 0 AEADHN c1cncc(CNC2(C3CC3)CC2)c1 308504166 491108835 /nfs/dbraw/zinc/10/88/35/491108835.db2.gz HZGYBHHCMITZCC-UHFFFAOYSA-N 0 3 188.274 2.114 20 0 AEADHN Cc1c[nH]nc1CN[C@@H](C)CC(C)C 308503708 491108860 /nfs/dbraw/zinc/10/88/60/491108860.db2.gz HRYJMLDFMBSWGV-JTQLQIEISA-N 0 3 195.310 2.242 20 0 AEADHN CC(C)=CCCNCc1c[nH]nc1C 308514647 491109681 /nfs/dbraw/zinc/10/96/81/491109681.db2.gz MGZHLZIZWALSAS-UHFFFAOYSA-N 0 3 193.294 2.164 20 0 AEADHN COCC(C)(C)CNCc1ccoc1 308520686 491110073 /nfs/dbraw/zinc/11/00/73/491110073.db2.gz XPJMXLACYYYVRP-UHFFFAOYSA-N 0 3 197.278 2.042 20 0 AEADHN C[C@H](NCCCCF)c1ccccn1 308526820 491110334 /nfs/dbraw/zinc/11/03/34/491110334.db2.gz JIMQBQRQBSOVNE-JTQLQIEISA-N 0 3 196.269 2.482 20 0 AEADHN CC(C)[C@H](C)NCc1ccc(F)cn1 308539231 491110756 /nfs/dbraw/zinc/11/07/56/491110756.db2.gz UCIWUEUVVQDMPI-VIFPVBQESA-N 0 3 196.269 2.355 20 0 AEADHN CC(C)[C@@H](C)NCc1ccc(F)cn1 308539228 491110865 /nfs/dbraw/zinc/11/08/65/491110865.db2.gz UCIWUEUVVQDMPI-SECBINFHSA-N 0 3 196.269 2.355 20 0 AEADHN Cc1c[nH]nc1CNCCCC(C)C 308554419 491111608 /nfs/dbraw/zinc/11/16/08/491111608.db2.gz YRUYDORNDHBRCB-UHFFFAOYSA-N 0 3 195.310 2.244 20 0 AEADHN C[C@@H](NCCCF)c1cccc(O)c1 308560016 491111721 /nfs/dbraw/zinc/11/17/21/491111721.db2.gz VHIADQRJFVTWEF-SECBINFHSA-N 0 3 197.253 2.402 20 0 AEADHN C[C@H](NCCCF)c1cccc(O)c1 308560017 491111724 /nfs/dbraw/zinc/11/17/24/491111724.db2.gz VHIADQRJFVTWEF-VIFPVBQESA-N 0 3 197.253 2.402 20 0 AEADHN CCCCN[C@H](COC)c1ccco1 308618382 491114517 /nfs/dbraw/zinc/11/45/17/491114517.db2.gz SIBDHRUKKGTURW-SNVBAGLBSA-N 0 3 197.278 2.357 20 0 AEADHN CC[C@@H](CN[C@@H](C)c1ccco1)OC 308577333 491112439 /nfs/dbraw/zinc/11/24/39/491112439.db2.gz NHYSMLMTUMDRIN-UWVGGRQHSA-N 0 3 197.278 2.355 20 0 AEADHN CC[C@@H](CN[C@H](C)c1ccco1)OC 308577336 491112463 /nfs/dbraw/zinc/11/24/63/491112463.db2.gz NHYSMLMTUMDRIN-ZJUUUORDSA-N 0 3 197.278 2.355 20 0 AEADHN CC[C@H](CN[C@@H](C)c1ccco1)OC 308577335 491112520 /nfs/dbraw/zinc/11/25/20/491112520.db2.gz NHYSMLMTUMDRIN-VHSXEESVSA-N 0 3 197.278 2.355 20 0 AEADHN CC[C@H](CN[C@H](C)c1ccco1)OC 308577331 491112612 /nfs/dbraw/zinc/11/26/12/491112612.db2.gz NHYSMLMTUMDRIN-NXEZZACHSA-N 0 3 197.278 2.355 20 0 AEADHN COCCC[C@H](C)NCc1ccoc1 308581609 491112690 /nfs/dbraw/zinc/11/26/90/491112690.db2.gz GSVQEFCNEQRXNX-JTQLQIEISA-N 0 3 197.278 2.184 20 0 AEADHN COCCC[C@@H](C)NCc1ccoc1 308581617 491112732 /nfs/dbraw/zinc/11/27/32/491112732.db2.gz GSVQEFCNEQRXNX-SNVBAGLBSA-N 0 3 197.278 2.184 20 0 AEADHN CCC(C)(C)CNCc1n[nH]cc1C 308592844 491113386 /nfs/dbraw/zinc/11/33/86/491113386.db2.gz LCPTZBYCRMJASA-UHFFFAOYSA-N 0 3 195.310 2.244 20 0 AEADHN COCCC[C@@H](C)NCc1ccco1 308594140 491113430 /nfs/dbraw/zinc/11/34/30/491113430.db2.gz LQDRTQJFRKZTHF-SNVBAGLBSA-N 0 3 197.278 2.184 20 0 AEADHN COCCC[C@H](C)NCc1ccco1 308594139 491113436 /nfs/dbraw/zinc/11/34/36/491113436.db2.gz LQDRTQJFRKZTHF-JTQLQIEISA-N 0 3 197.278 2.184 20 0 AEADHN CC[C@H](COC)NCc1ccoc1C 308595238 491113482 /nfs/dbraw/zinc/11/34/82/491113482.db2.gz MESUPSLPEUBZIC-LLVKDONJSA-N 0 3 197.278 2.103 20 0 AEADHN CC[C@@H](COC)NCc1ccoc1C 308595239 491113714 /nfs/dbraw/zinc/11/37/14/491113714.db2.gz MESUPSLPEUBZIC-NSHDSACASA-N 0 3 197.278 2.103 20 0 AEADHN CCCCN[C@@H](CC)c1ccn(C)n1 308599710 491113876 /nfs/dbraw/zinc/11/38/76/491113876.db2.gz NXNWFEILOXRJME-JTQLQIEISA-N 0 3 195.310 2.261 20 0 AEADHN CCCCN[C@H](CC)c1ccn(C)n1 308599711 491113889 /nfs/dbraw/zinc/11/38/89/491113889.db2.gz NXNWFEILOXRJME-SNVBAGLBSA-N 0 3 195.310 2.261 20 0 AEADHN COCC[C@@H](NC(C)C)c1ccco1 308610909 491114144 /nfs/dbraw/zinc/11/41/44/491114144.db2.gz QRSFTNMFMLFAOV-SNVBAGLBSA-N 0 3 197.278 2.355 20 0 AEADHN COCC[C@H](NC(C)C)c1ccco1 308610908 491114226 /nfs/dbraw/zinc/11/42/26/491114226.db2.gz QRSFTNMFMLFAOV-JTQLQIEISA-N 0 3 197.278 2.355 20 0 AEADHN CCCCN[C@@H](COC)c1ccco1 308618381 491114381 /nfs/dbraw/zinc/11/43/81/491114381.db2.gz SIBDHRUKKGTURW-JTQLQIEISA-N 0 3 197.278 2.357 20 0 AEADHN CCCCN[C@@H](CCO)c1ccco1 308631583 491115161 /nfs/dbraw/zinc/11/51/61/491115161.db2.gz ZFERMKFMLLZRJA-JTQLQIEISA-N 0 3 197.278 2.093 20 0 AEADHN CCCCN[C@H](CCO)c1ccco1 308631584 491115270 /nfs/dbraw/zinc/11/52/70/491115270.db2.gz ZFERMKFMLLZRJA-SNVBAGLBSA-N 0 3 197.278 2.093 20 0 AEADHN C[C@@H](CNCCF)c1ccc(F)cc1 308641432 491115334 /nfs/dbraw/zinc/11/53/34/491115334.db2.gz DXULLACUSNCQFF-VIFPVBQESA-N 0 3 199.244 2.488 20 0 AEADHN C[C@H](CNCCF)c1ccc(F)cc1 308641431 491115360 /nfs/dbraw/zinc/11/53/60/491115360.db2.gz DXULLACUSNCQFF-SECBINFHSA-N 0 3 199.244 2.488 20 0 AEADHN C[C@H](CCC1CC1)NCc1ncc[nH]1 308636119 491115425 /nfs/dbraw/zinc/11/54/25/491115425.db2.gz CKFKYLTTYOUTCS-SECBINFHSA-N 0 3 193.294 2.078 20 0 AEADHN C[C@@H](CCC1CC1)NCc1ncc[nH]1 308636120 491115473 /nfs/dbraw/zinc/11/54/73/491115473.db2.gz CKFKYLTTYOUTCS-VIFPVBQESA-N 0 3 193.294 2.078 20 0 AEADHN CC(C)=CCCNCc1n[nH]cc1C 308643197 491115602 /nfs/dbraw/zinc/11/56/02/491115602.db2.gz FWTGECOGFVFLBS-UHFFFAOYSA-N 0 3 193.294 2.164 20 0 AEADHN C1=CC[C@@H](CNCc2cocn2)CC1 308654450 491116340 /nfs/dbraw/zinc/11/63/40/491116340.db2.gz NEFFOULPECBRMR-SNVBAGLBSA-N 0 3 192.262 2.121 20 0 AEADHN C1=CC[C@H](CNCc2cocn2)CC1 308654449 491116375 /nfs/dbraw/zinc/11/63/75/491116375.db2.gz NEFFOULPECBRMR-JTQLQIEISA-N 0 3 192.262 2.121 20 0 AEADHN C[C@H](CNCc1cocn1)C(C)(C)C 308662362 491116446 /nfs/dbraw/zinc/11/64/46/491116446.db2.gz QSUIWAARVNHOQQ-SECBINFHSA-N 0 3 196.294 2.446 20 0 AEADHN C[C@@H](CNCc1cocn1)C(C)(C)C 308662364 491116579 /nfs/dbraw/zinc/11/65/79/491116579.db2.gz QSUIWAARVNHOQQ-VIFPVBQESA-N 0 3 196.294 2.446 20 0 AEADHN CC(C)(C)CNCc1ccc(F)cn1 308667083 491116631 /nfs/dbraw/zinc/11/66/31/491116631.db2.gz SZCKHIMYYMHMEP-UHFFFAOYSA-N 0 3 196.269 2.356 20 0 AEADHN CC1(CNCc2ccc(F)cn2)CC1 308679556 491117415 /nfs/dbraw/zinc/11/74/15/491117415.db2.gz XFHNIHLGDKKAEV-UHFFFAOYSA-N 0 3 194.253 2.110 20 0 AEADHN CCC[C@H](CC)NCc1n[nH]cc1C 308688244 491117588 /nfs/dbraw/zinc/11/75/88/491117588.db2.gz CKILFDVGDZEACX-JTQLQIEISA-N 0 3 195.310 2.386 20 0 AEADHN CCC[C@@H](CC)NCc1n[nH]cc1C 308688246 491117687 /nfs/dbraw/zinc/11/76/87/491117687.db2.gz CKILFDVGDZEACX-SNVBAGLBSA-N 0 3 195.310 2.386 20 0 AEADHN COCC(C)(C)CNCc1ccco1 308709347 491117811 /nfs/dbraw/zinc/11/78/11/491117811.db2.gz XWPJELBFYSMHOU-UHFFFAOYSA-N 0 3 197.278 2.042 20 0 AEADHN CCC(CC)NCc1ccc(F)cn1 308722985 491118005 /nfs/dbraw/zinc/11/80/05/491118005.db2.gz FBIMDTXKZNVELY-UHFFFAOYSA-N 0 3 196.269 2.499 20 0 AEADHN COCc1ccc(CNC2CCC2)o1 308725319 491118084 /nfs/dbraw/zinc/11/80/84/491118084.db2.gz GGRJJYMPEQQHTA-UHFFFAOYSA-N 0 3 195.262 2.068 20 0 AEADHN CC[C@H]1CC[C@H]1NCc1cc(C)no1 308727394 491118180 /nfs/dbraw/zinc/11/81/80/491118180.db2.gz HIJASQFVPPUNDO-GXSJLCMTSA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@@H]1CC[C@H]1NCc1cc(C)no1 308727400 491118223 /nfs/dbraw/zinc/11/82/23/491118223.db2.gz HIJASQFVPPUNDO-MWLCHTKSSA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@H]1CC[C@@H]1NCc1cc(C)no1 308727404 491118269 /nfs/dbraw/zinc/11/82/69/491118269.db2.gz HIJASQFVPPUNDO-ONGXEEELSA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@@H]1CC[C@@H]1NCc1cc(C)no1 308727397 491118306 /nfs/dbraw/zinc/11/83/06/491118306.db2.gz HIJASQFVPPUNDO-KOLCDFICSA-N 0 3 194.278 2.261 20 0 AEADHN CCC[C@@H](C)NCc1cc(C)ncn1 308736358 491118466 /nfs/dbraw/zinc/11/84/66/491118466.db2.gz LOQJZROWKVZCMD-SECBINFHSA-N 0 3 193.294 2.063 20 0 AEADHN CCC[C@H](C)NCc1cc(C)ncn1 308736359 491118485 /nfs/dbraw/zinc/11/84/85/491118485.db2.gz LOQJZROWKVZCMD-VIFPVBQESA-N 0 3 193.294 2.063 20 0 AEADHN CCC(CC)NCc1cc(C)ncn1 308741279 491118617 /nfs/dbraw/zinc/11/86/17/491118617.db2.gz OVDOKLPWBXQCIT-UHFFFAOYSA-N 0 3 193.294 2.063 20 0 AEADHN CCCN(Cc1ccccn1)C1CC1 591470333 491120203 /nfs/dbraw/zinc/12/02/03/491120203.db2.gz OMUMWDBCQPUBKB-UHFFFAOYSA-N 0 3 190.290 2.456 20 0 AEADHN CCCN(CC)Cc1ccccn1 591469798 491120231 /nfs/dbraw/zinc/12/02/31/491120231.db2.gz RAEVRLWLPMKFIQ-UHFFFAOYSA-N 0 3 178.279 2.314 20 0 AEADHN C[C@H](C1CC1)N(C)Cc1ccccn1 591469697 491120266 /nfs/dbraw/zinc/12/02/66/491120266.db2.gz UBIUSSCJYHAGGE-SNVBAGLBSA-N 0 3 190.290 2.312 20 0 AEADHN C[C@@H](C1CC1)N(C)Cc1ccccn1 591469696 491120279 /nfs/dbraw/zinc/12/02/79/491120279.db2.gz UBIUSSCJYHAGGE-JTQLQIEISA-N 0 3 190.290 2.312 20 0 AEADHN c1csc(CNCC2CCCC2)n1 48732743 1188767936 /nfs/dbraw/zinc/76/79/36/1188767936.db2.gz MANABCOJIGTLGC-UHFFFAOYSA-N 0 3 196.319 2.423 20 0 AEADHN C[C@@H]1CCN(CCF)CC1(C)C 306451256 1188798477 /nfs/dbraw/zinc/79/84/77/1188798477.db2.gz WFBYDCKJSDSMEX-SECBINFHSA-N 0 3 173.275 2.324 20 0 AEADHN C[C@H]1CCN(CCF)CC1(C)C 306451263 1188798539 /nfs/dbraw/zinc/79/85/39/1188798539.db2.gz WFBYDCKJSDSMEX-VIFPVBQESA-N 0 3 173.275 2.324 20 0 AEADHN C(=C/C1CC1)\CNCc1cncs1 378849669 1188815198 /nfs/dbraw/zinc/81/51/98/1188815198.db2.gz DBKWUPWIOIAAGU-OWOJBTEDSA-N 0 3 194.303 2.199 20 0 AEADHN C(=C\C1CC1)\CNCc1cncs1 378849670 1188815216 /nfs/dbraw/zinc/81/52/16/1188815216.db2.gz DBKWUPWIOIAAGU-UPHRSURJSA-N 0 3 194.303 2.199 20 0 AEADHN CS[C@H]1CC[C@H](N(C)CCF)C1 379334440 1188815791 /nfs/dbraw/zinc/81/57/91/1188815791.db2.gz MPGFFMRHCCCACY-IUCAKERBSA-N 0 3 191.315 2.172 20 0 AEADHN CS[C@@H]1CC[C@@H](N(C)CCF)C1 379334441 1188815929 /nfs/dbraw/zinc/81/59/29/1188815929.db2.gz MPGFFMRHCCCACY-RKDXNWHRSA-N 0 3 191.315 2.172 20 0 AEADHN CS[C@@H]1CC[C@H](N(C)CCF)C1 379334439 1188816092 /nfs/dbraw/zinc/81/60/92/1188816092.db2.gz MPGFFMRHCCCACY-DTWKUNHWSA-N 0 3 191.315 2.172 20 0 AEADHN CS[C@H]1CC[C@@H](N(C)CCF)C1 379334438 1188816663 /nfs/dbraw/zinc/81/66/63/1188816663.db2.gz MPGFFMRHCCCACY-BDAKNGLRSA-N 0 3 191.315 2.172 20 0 AEADHN CSCCCN(C)C/C=C/Cl 393614745 1188821894 /nfs/dbraw/zinc/82/18/94/1188821894.db2.gz IUKVJTSONSIQQJ-HWKANZROSA-N 0 3 193.743 2.424 20 0 AEADHN CSCCCN(C)C/C=C\Cl 393614746 1188822226 /nfs/dbraw/zinc/82/22/26/1188822226.db2.gz IUKVJTSONSIQQJ-HYXAFXHYSA-N 0 3 193.743 2.424 20 0 AEADHN CC[C@@H](NCc1ncccn1)C(C)C 54459478 697622578 /nfs/dbraw/zinc/62/25/78/697622578.db2.gz PRHQZMIJSDNJRJ-SNVBAGLBSA-N 0 3 193.294 2.001 20 0 AEADHN CC[C@H](NCc1ncccn1)C(C)C 54459476 697622625 /nfs/dbraw/zinc/62/26/25/697622625.db2.gz PRHQZMIJSDNJRJ-JTQLQIEISA-N 0 3 193.294 2.001 20 0 AEADHN CC(C)CCN[C@@H](C)c1ncc[nH]1 124777802 697639751 /nfs/dbraw/zinc/63/97/51/697639751.db2.gz YYPRLIWJRBMQGE-VIFPVBQESA-N 0 3 181.283 2.106 20 0 AEADHN CC(C)CCN[C@H](C)c1ncc[nH]1 124777976 697639928 /nfs/dbraw/zinc/63/99/28/697639928.db2.gz YYPRLIWJRBMQGE-SECBINFHSA-N 0 3 181.283 2.106 20 0 AEADHN Cc1cc(CN(C)C2CC2)c(C)o1 307687858 697750505 /nfs/dbraw/zinc/75/05/05/697750505.db2.gz LGFUMCRPGZFWSE-UHFFFAOYSA-N 0 3 179.263 2.491 20 0 AEADHN CSCC[C@@H](C)N(C)CCF 307908764 697752915 /nfs/dbraw/zinc/75/29/15/697752915.db2.gz UQOGDNANNPSCBR-MRVPVSSYSA-N 0 3 179.304 2.029 20 0 AEADHN CSCC[C@H](C)N(C)CCF 307908765 697753075 /nfs/dbraw/zinc/75/30/75/697753075.db2.gz UQOGDNANNPSCBR-QMMMGPOBSA-N 0 3 179.304 2.029 20 0 AEADHN C[C@@H](CNCc1ccon1)C(C)(C)C 308601343 697775174 /nfs/dbraw/zinc/77/51/74/697775174.db2.gz UVSFITHPKADHGX-VIFPVBQESA-N 0 3 196.294 2.446 20 0 AEADHN C[C@H](CNCc1ccon1)C(C)(C)C 308601341 697775220 /nfs/dbraw/zinc/77/52/20/697775220.db2.gz UVSFITHPKADHGX-SECBINFHSA-N 0 3 196.294 2.446 20 0 AEADHN CC[C@H](NCc1ccon1)[C@H]1C[C@@H]1C 321042996 697777397 /nfs/dbraw/zinc/77/73/97/697777397.db2.gz FPAXPTLXGLALDM-LSJOCFKGSA-N 0 3 194.278 2.199 20 0 AEADHN CC[C@H](NCc1ccon1)[C@@H]1C[C@H]1C 321042995 697777686 /nfs/dbraw/zinc/77/76/86/697777686.db2.gz FPAXPTLXGLALDM-IEBDPFPHSA-N 0 3 194.278 2.199 20 0 AEADHN CC[C@H](NCc1ccon1)[C@@H]1C[C@@H]1C 321042994 697777710 /nfs/dbraw/zinc/77/77/10/697777710.db2.gz FPAXPTLXGLALDM-GDPRMGEGSA-N 0 3 194.278 2.199 20 0 AEADHN CC[C@H](NCc1ccon1)[C@H]1C[C@H]1C 321042997 697777794 /nfs/dbraw/zinc/77/77/94/697777794.db2.gz FPAXPTLXGLALDM-MIMYLULJSA-N 0 3 194.278 2.199 20 0 AEADHN CN(C/C=C\Cl)C1CCC1 378973031 697796438 /nfs/dbraw/zinc/79/64/38/697796438.db2.gz PODWAESSVJWATQ-UTCJRWHESA-N 0 3 159.660 2.223 20 0 AEADHN CN(C/C=C\Cl)CC1CC1 378972556 697796516 /nfs/dbraw/zinc/79/65/16/697796516.db2.gz FYXWGHXLHXZOJZ-DJWKRKHSSA-N 0 3 159.660 2.081 20 0 AEADHN CN(CCCF)CCC(F)(F)F 379330670 697825361 /nfs/dbraw/zinc/82/53/61/697825361.db2.gz YBCYNBLBJKCEJW-UHFFFAOYSA-N 0 3 187.180 2.230 20 0 AEADHN CCN(CC)Cc1ccc(F)cn1 379368839 697847289 /nfs/dbraw/zinc/84/72/89/697847289.db2.gz ZDUIBJDVKVMRKL-UHFFFAOYSA-N 0 3 182.242 2.063 20 0 AEADHN CCN(Cc1cnoc1C)C(C)C 379384559 697860638 /nfs/dbraw/zinc/86/06/38/697860638.db2.gz OTAJHTHWWKTXNH-UHFFFAOYSA-N 0 3 182.267 2.213 20 0 AEADHN CCc1noc(C)c1[C@H](C)NC1CC1 379583482 697902017 /nfs/dbraw/zinc/90/20/17/697902017.db2.gz NEDUPBBEUPXWPC-ZETCQYMHSA-N 0 3 194.278 2.358 20 0 AEADHN CCc1noc(C)c1[C@@H](C)NC1CC1 379583481 697902166 /nfs/dbraw/zinc/90/21/66/697902166.db2.gz NEDUPBBEUPXWPC-SSDOTTSWSA-N 0 3 194.278 2.358 20 0 AEADHN C[C@@H](NCCC1(C)CC1)c1ncc[nH]1 379642210 697907791 /nfs/dbraw/zinc/90/77/91/697907791.db2.gz VXMLDUADAKRWRR-SECBINFHSA-N 0 3 193.294 2.251 20 0 AEADHN C[C@H](NCCC1(C)CC1)c1ncc[nH]1 379642213 697907847 /nfs/dbraw/zinc/90/78/47/697907847.db2.gz VXMLDUADAKRWRR-VIFPVBQESA-N 0 3 193.294 2.251 20 0 AEADHN CCC1(NCc2nc(C)cs2)CC1 379741351 697909845 /nfs/dbraw/zinc/90/98/45/697909845.db2.gz NOYAIFVPRVKIDL-UHFFFAOYSA-N 0 3 196.319 2.484 20 0 AEADHN CC/C=C/CNCc1ccc(C)nc1 384888492 697931914 /nfs/dbraw/zinc/93/19/14/697931914.db2.gz KHQIEKZXIVKIGO-SNAWJCMRSA-N 0 3 190.290 2.446 20 0 AEADHN CC/C=C\CNCc1ccc(C)nc1 384888491 697932101 /nfs/dbraw/zinc/93/21/01/697932101.db2.gz KHQIEKZXIVKIGO-PLNGDYQASA-N 0 3 190.290 2.446 20 0 AEADHN CCCCN(CCF)C1CC1 388123098 697942667 /nfs/dbraw/zinc/94/26/67/697942667.db2.gz MVNZFVIHYPHICF-UHFFFAOYSA-N 0 3 159.248 2.220 20 0 AEADHN CN(C/C=C/Cl)CCC1CC1 388163585 697944147 /nfs/dbraw/zinc/94/41/47/697944147.db2.gz XNZJHYKNGGMWLK-QHHAFSJGSA-N 0 3 173.687 2.471 20 0 AEADHN CN(C/C=C\Cl)CCC1CC1 388163584 697944513 /nfs/dbraw/zinc/94/45/13/697944513.db2.gz XNZJHYKNGGMWLK-KXFIGUGUSA-N 0 3 173.687 2.471 20 0 AEADHN COCC(C)(C)N(C)C/C=C\Cl 388391925 697958411 /nfs/dbraw/zinc/95/84/11/697958411.db2.gz CPYIXPWIYAWHET-WAYWQWQTSA-N 0 3 191.702 2.096 20 0 AEADHN COCC(C)(C)N(C)C/C=C/Cl 388391924 697958598 /nfs/dbraw/zinc/95/85/98/697958598.db2.gz CPYIXPWIYAWHET-AATRIKPKSA-N 0 3 191.702 2.096 20 0 AEADHN CSC[C@@H]1CCCN(CCF)C1 388405029 697961522 /nfs/dbraw/zinc/96/15/22/697961522.db2.gz RSIDABKNWZIWQU-SECBINFHSA-N 0 3 191.315 2.031 20 0 AEADHN CSC[C@H]1CCCN(CCF)C1 388405030 697961723 /nfs/dbraw/zinc/96/17/23/697961723.db2.gz RSIDABKNWZIWQU-VIFPVBQESA-N 0 3 191.315 2.031 20 0 AEADHN COC(C)(C)CN(C)C/C=C\Cl 388495060 697970159 /nfs/dbraw/zinc/97/01/59/697970159.db2.gz JKVHPZJRZFZKIS-WAYWQWQTSA-N 0 3 191.702 2.096 20 0 AEADHN COC(C)(C)CN(C)C/C=C/Cl 388495054 697970499 /nfs/dbraw/zinc/97/04/99/697970499.db2.gz JKVHPZJRZFZKIS-AATRIKPKSA-N 0 3 191.702 2.096 20 0 AEADHN Cc1oncc1CN(C)CC(C)C 388754699 697993100 /nfs/dbraw/zinc/99/31/00/697993100.db2.gz COZUMXKBLHLTNB-UHFFFAOYSA-N 0 3 182.267 2.071 20 0 AEADHN CC(C)CCCN[C@@H](C)c1ncc[nH]1 389218160 698004916 /nfs/dbraw/zinc/00/49/16/698004916.db2.gz LOPWWNUQJCTUMK-JTQLQIEISA-N 0 3 195.310 2.497 20 0 AEADHN CC(C)CCCN[C@H](C)c1ncc[nH]1 389218163 698005138 /nfs/dbraw/zinc/00/51/38/698005138.db2.gz LOPWWNUQJCTUMK-SNVBAGLBSA-N 0 3 195.310 2.497 20 0 AEADHN CC(C)C1(N[C@H](C)c2ncc[nH]2)CC1 393504763 698018351 /nfs/dbraw/zinc/01/83/51/698018351.db2.gz WOYDZOMYCKJIPZ-SECBINFHSA-N 0 3 193.294 2.249 20 0 AEADHN CC(C)C1(N[C@@H](C)c2ncc[nH]2)CC1 393504767 698018569 /nfs/dbraw/zinc/01/85/69/698018569.db2.gz WOYDZOMYCKJIPZ-VIFPVBQESA-N 0 3 193.294 2.249 20 0 AEADHN C[C@@H](NCc1cc[nH]c1)c1ccc[nH]1 393692693 698022181 /nfs/dbraw/zinc/02/21/81/698022181.db2.gz ZFLRBWZRDFJMHO-SECBINFHSA-N 0 3 189.262 2.194 20 0 AEADHN C[C@H](NCc1cc[nH]c1)c1ccc[nH]1 393692694 698022206 /nfs/dbraw/zinc/02/22/06/698022206.db2.gz ZFLRBWZRDFJMHO-VIFPVBQESA-N 0 3 189.262 2.194 20 0 AEADHN CC[C@@H](C)CCN[C@H](C)c1ncc[nH]1 394460646 698030729 /nfs/dbraw/zinc/03/07/29/698030729.db2.gz QXOQCSOEKVAJCF-NXEZZACHSA-N 0 3 195.310 2.497 20 0 AEADHN CC[C@H](C)CCN[C@@H](C)c1ncc[nH]1 394460649 698031006 /nfs/dbraw/zinc/03/10/06/698031006.db2.gz QXOQCSOEKVAJCF-UWVGGRQHSA-N 0 3 195.310 2.497 20 0 AEADHN CC[C@@H](C)CCN[C@@H](C)c1ncc[nH]1 394460658 698031018 /nfs/dbraw/zinc/03/10/18/698031018.db2.gz QXOQCSOEKVAJCF-ZJUUUORDSA-N 0 3 195.310 2.497 20 0 AEADHN CC[C@H](C)CCN[C@H](C)c1ncc[nH]1 394460655 698031135 /nfs/dbraw/zinc/03/11/35/698031135.db2.gz QXOQCSOEKVAJCF-VHSXEESVSA-N 0 3 195.310 2.497 20 0 AEADHN C[C@H](NC1(C)CCC1)c1cnccn1 777709924 698094340 /nfs/dbraw/zinc/09/43/40/698094340.db2.gz UJFMKWHMZJAXFA-VIFPVBQESA-N 0 3 191.278 2.070 20 0 AEADHN C[C@@H](NC1(C)CCC1)c1cnccn1 777709914 698094398 /nfs/dbraw/zinc/09/43/98/698094398.db2.gz UJFMKWHMZJAXFA-SECBINFHSA-N 0 3 191.278 2.070 20 0 AEADHN Cc1ccc(CN[C@@H]2C=CCC2)o1 829347296 698111959 /nfs/dbraw/zinc/11/19/59/698111959.db2.gz IIZQFEWMVCQLBS-SNVBAGLBSA-N 0 3 177.247 2.396 20 0 AEADHN Cc1ccc(CN[C@H]2C=CCC2)o1 829347294 698111981 /nfs/dbraw/zinc/11/19/81/698111981.db2.gz IIZQFEWMVCQLBS-JTQLQIEISA-N 0 3 177.247 2.396 20 0 AEADHN C=C/C=C/CCN1CC[C@@H](F)C1 878664190 698144315 /nfs/dbraw/zinc/14/43/15/698144315.db2.gz ZUSBJTXZZCQFLV-HMDXOVGESA-N 0 3 169.243 2.163 20 0 AEADHN C=C/C=C\CCN1CC[C@H](F)C1 878664192 698144485 /nfs/dbraw/zinc/14/44/85/698144485.db2.gz ZUSBJTXZZCQFLV-XOULXFPDSA-N 0 3 169.243 2.163 20 0 AEADHN F[C@@H]1CCN(CCCC2CC2)C1 878662287 698144540 /nfs/dbraw/zinc/14/45/40/698144540.db2.gz ASPNRPSNVBEHPS-SNVBAGLBSA-N 0 3 171.259 2.220 20 0 AEADHN C=C/C=C/CCN1CC[C@H](F)C1 878664189 698144592 /nfs/dbraw/zinc/14/45/92/698144592.db2.gz ZUSBJTXZZCQFLV-FSIBCCDJSA-N 0 3 169.243 2.163 20 0 AEADHN C=C/C=C\CCN1CC[C@@H](F)C1 878664191 698144694 /nfs/dbraw/zinc/14/46/94/698144694.db2.gz ZUSBJTXZZCQFLV-UMBAGQNISA-N 0 3 169.243 2.163 20 0 AEADHN F[C@H]1CCN(CCCC2CC2)C1 878662285 698144730 /nfs/dbraw/zinc/14/47/30/698144730.db2.gz ASPNRPSNVBEHPS-JTQLQIEISA-N 0 3 171.259 2.220 20 0 AEADHN C(CC1CC1)CN(C1CC1)C1COC1 878658595 698144799 /nfs/dbraw/zinc/14/47/99/698144799.db2.gz RTURNKFQWFWHQA-UHFFFAOYSA-N 0 3 195.306 2.040 20 0 AEADHN Cc1ncoc1CNC1(C2CC2)CC1 894326694 698158513 /nfs/dbraw/zinc/15/85/13/698158513.db2.gz RPTSCCCDZJDABT-UHFFFAOYSA-N 0 3 192.262 2.015 20 0 AEADHN Cc1ncoc1CNC1(C)CCC1 894410916 698158896 /nfs/dbraw/zinc/15/88/96/698158896.db2.gz FEAVHBYKMCIQFY-UHFFFAOYSA-N 0 3 180.251 2.015 20 0 AEADHN N[C@@H]1c2ccc(F)cc2CC[C@@H]1F 536954418 325670532 /nfs/dbraw/zinc/67/05/32/325670532.db2.gz UGXNUAISYZOWCP-VHSXEESVSA-N 0 3 183.201 2.110 20 0 AEADHN C[C@H](N)c1nc2c(s1)C[C@H](C)CC2 11567750 343022630 /nfs/dbraw/zinc/02/26/30/343022630.db2.gz LVFYXTBQIWFXSH-RQJHMYQMSA-N 0 3 196.319 2.288 20 0 AEADHN CC[C@@H](N)c1cc(OC)ccc1OC 19967570 343065314 /nfs/dbraw/zinc/06/53/14/343065314.db2.gz NSOXLVZWGDWPBU-SNVBAGLBSA-N 0 3 195.262 2.114 20 0 AEADHN C[C@H](NC[C@H]1CCCO1)c1ccco1 19963595 343065354 /nfs/dbraw/zinc/06/53/54/343065354.db2.gz SBGRPHFBZRNBLY-VHSXEESVSA-N 0 3 195.262 2.109 20 0 AEADHN CCc1ccc(CNCCOC)s1 20036291 343066228 /nfs/dbraw/zinc/06/62/28/343066228.db2.gz ADIDNAMZSRYKLM-UHFFFAOYSA-N 0 3 199.319 2.047 20 0 AEADHN CN(C)CCNc1ccc(Cl)cc1 20051196 343066238 /nfs/dbraw/zinc/06/62/38/343066238.db2.gz RNENHAOXYQGUJX-UHFFFAOYSA-N 0 3 198.697 2.314 20 0 AEADHN C[C@H](NCC1CC1)c1ccccn1 19884804 343063903 /nfs/dbraw/zinc/06/39/03/343063903.db2.gz RNSIJOYBGOREED-VIFPVBQESA-N 0 3 176.263 2.142 20 0 AEADHN Cc1noc(C)c1CNCCC(C)C 20252945 343070519 /nfs/dbraw/zinc/07/05/19/343070519.db2.gz JVIBSRLFHCEBHY-UHFFFAOYSA-N 0 3 196.294 2.427 20 0 AEADHN C[C@@H]1c2ccccc2CCN1C 32189040 343100105 /nfs/dbraw/zinc/10/01/05/343100105.db2.gz ANEGOXNGPXRGPY-SECBINFHSA-N 0 3 161.248 2.236 20 0 AEADHN c1cc(CN2CCCC2)cs1 34263165 343114929 /nfs/dbraw/zinc/11/49/29/343114929.db2.gz OANGYJFPKQQXFL-UHFFFAOYSA-N 0 3 167.277 2.344 20 0 AEADHN CC(C)N[C@@H]1COc2ccc(F)cc21 35652892 343135493 /nfs/dbraw/zinc/13/54/93/343135493.db2.gz FPSLLDYMRJIDBR-SNVBAGLBSA-N 0 3 195.237 2.257 20 0 AEADHN CC(C)c1ccc2c(c1)[C@@H](N)CO2 35654598 343135977 /nfs/dbraw/zinc/13/59/77/343135977.db2.gz NNXHBPIAZMDRQC-JTQLQIEISA-N 0 3 177.247 2.202 20 0 AEADHN Cc1cc(Cl)cc2c1OCC[C@H]2N 34975009 343126779 /nfs/dbraw/zinc/12/67/79/343126779.db2.gz FXPUWLHOIUHGPQ-SECBINFHSA-N 0 3 197.665 2.431 20 0 AEADHN Cc1cc(Cl)cc2c1OCC[C@@H]2N 34975008 343126812 /nfs/dbraw/zinc/12/68/12/343126812.db2.gz FXPUWLHOIUHGPQ-VIFPVBQESA-N 0 3 197.665 2.431 20 0 AEADHN Cc1ccoc1CNC(C)C 36947916 343155822 /nfs/dbraw/zinc/15/58/22/343155822.db2.gz AHZILSBSLXERDG-UHFFFAOYSA-N 0 3 153.225 2.086 20 0 AEADHN CC(C)NCc1cc(F)cc(F)c1 36947914 343155934 /nfs/dbraw/zinc/15/59/34/343155934.db2.gz CKVAEDFGAXMUIB-UHFFFAOYSA-N 0 3 185.217 2.463 20 0 AEADHN Cc1nc(CNCC2CCC2)cs1 37179380 343162020 /nfs/dbraw/zinc/16/20/20/343162020.db2.gz RKBHAUFRSOUIPU-UHFFFAOYSA-N 0 3 196.319 2.341 20 0 AEADHN CC(=O)CN1CCC[C@@H]2CCCC[C@@H]21 37340326 343165714 /nfs/dbraw/zinc/16/57/14/343165714.db2.gz MYXTXDGEBFZFKQ-RYUDHWBXSA-N 0 3 195.306 2.230 20 0 AEADHN C[C@H]1C[C@@H]1CNCc1ccco1 37897509 343179595 /nfs/dbraw/zinc/17/95/95/343179595.db2.gz OKHAVUQIQLUFRU-DTWKUNHWSA-N 0 3 165.236 2.025 20 0 AEADHN CC[C@H](C)NCc1occc1C 38065459 343184160 /nfs/dbraw/zinc/18/41/60/343184160.db2.gz IORJOCLARNCMQY-VIFPVBQESA-N 0 3 167.252 2.476 20 0 AEADHN CC[C@H](C)NCc1ccoc1 38065437 343184165 /nfs/dbraw/zinc/18/41/65/343184165.db2.gz OFXAWMMDLPARFQ-QMMMGPOBSA-N 0 3 153.225 2.168 20 0 AEADHN Cc1ccc([C@H](C)NCC(C)(C)O)o1 38097778 343184971 /nfs/dbraw/zinc/18/49/71/343184971.db2.gz PAAVBBDVVGHSTB-VIFPVBQESA-N 0 3 197.278 2.010 20 0 AEADHN CC(C)(N)[C@H](F)c1ccccc1 39245149 343207896 /nfs/dbraw/zinc/20/78/96/343207896.db2.gz ZJOHBIIGUJWISV-SECBINFHSA-N 0 3 167.227 2.435 20 0 AEADHN C[C@H]1CN(C2CCCC2)C[C@@H](C)O1 41363248 343233638 /nfs/dbraw/zinc/23/36/38/343233638.db2.gz XYNLGPYWGZRNIO-AOOOYVTPSA-N 0 3 183.295 2.038 20 0 AEADHN CCCNC(C)(C)c1nccs1 41061352 343229787 /nfs/dbraw/zinc/22/97/87/343229787.db2.gz VLUPFUAALNCCEJ-UHFFFAOYSA-N 0 3 184.308 2.378 20 0 AEADHN Cc1cc(CN[C@@H](C)C(C)C)on1 44300512 343263455 /nfs/dbraw/zinc/26/34/55/343263455.db2.gz DVBQPAZEPOGWPN-VIFPVBQESA-N 0 3 182.267 2.117 20 0 AEADHN Cc1cc(CNC2CCCCC2)no1 44293735 343263582 /nfs/dbraw/zinc/26/35/82/343263582.db2.gz CPMILUGLCCQLLO-UHFFFAOYSA-N 0 3 194.278 2.405 20 0 AEADHN Cc1cc(CN[C@H](C)C(C)C)on1 44300517 343263584 /nfs/dbraw/zinc/26/35/84/343263584.db2.gz DVBQPAZEPOGWPN-SECBINFHSA-N 0 3 182.267 2.117 20 0 AEADHN CC1(C)C[C@@H]1NCc1cccc(O)c1 44371985 343264293 /nfs/dbraw/zinc/26/42/93/343264293.db2.gz AJETWQCKIXKHAK-NSHDSACASA-N 0 3 191.274 2.280 20 0 AEADHN CCC(CC)NCc1cscn1 49773232 343276582 /nfs/dbraw/zinc/27/65/82/343276582.db2.gz QPMLXJDCZBGQAE-UHFFFAOYSA-N 0 3 184.308 2.421 20 0 AEADHN CCn1ccnc1CNCCC(C)C 51920800 343295407 /nfs/dbraw/zinc/29/54/07/343295407.db2.gz XWNYTJFSPALPOG-UHFFFAOYSA-N 0 3 195.310 2.039 20 0 AEADHN CCn1ccnc1CN[C@H](C)C(C)C 51921403 343295442 /nfs/dbraw/zinc/29/54/42/343295442.db2.gz KIJFPEXAKKTGFN-SNVBAGLBSA-N 0 3 195.310 2.037 20 0 AEADHN Cc1ccc(CN[C@@H]2CCSC2)o1 53035742 343311921 /nfs/dbraw/zinc/31/19/21/343311921.db2.gz FQIYMAPGPSOCCX-SECBINFHSA-N 0 3 197.303 2.183 20 0 AEADHN CC(C)OCCNCc1ccsc1 58003938 343338601 /nfs/dbraw/zinc/33/86/01/343338601.db2.gz CTLVDOZFJBKRIB-UHFFFAOYSA-N 0 3 199.319 2.263 20 0 AEADHN CC(C)(C)CNCc1ccoc1 62103732 343371106 /nfs/dbraw/zinc/37/11/06/343371106.db2.gz ATITZOUWRRPDGO-UHFFFAOYSA-N 0 3 167.252 2.415 20 0 AEADHN C[C@@H]([NH3+])c1ccc([O-])cc1Cl 70559632 343490056 /nfs/dbraw/zinc/49/00/56/343490056.db2.gz CCBWKKBPBJMDAI-RXMQYKEDSA-N 0 3 171.627 2.065 20 0 AEADHN C[C@H]([NH3+])c1ccc([O-])cc1Cl 70559631 343490063 /nfs/dbraw/zinc/49/00/63/343490063.db2.gz CCBWKKBPBJMDAI-YFKPBYRVSA-N 0 3 171.627 2.065 20 0 AEADHN Cc1ccc([C@@H](C)N[C@H]2CCOC2)o1 70966063 343545337 /nfs/dbraw/zinc/54/53/37/343545337.db2.gz PQLAZUNSLFXHMM-ZJUUUORDSA-N 0 3 195.262 2.028 20 0 AEADHN CC[C@@H](N)c1cccc(OC)c1OC 74244371 343571691 /nfs/dbraw/zinc/57/16/91/343571691.db2.gz QYIJLGSUJKQBOC-SECBINFHSA-N 0 3 195.262 2.114 20 0 AEADHN C[C@H](N)c1cc2cnccc2s1 82397682 343601326 /nfs/dbraw/zinc/60/13/26/343601326.db2.gz IACFOQZPNKYZPY-LURJTMIESA-N 0 3 178.260 2.316 20 0 AEADHN COC[C@H](NCc1ccoc1)C(C)C 83398557 343619483 /nfs/dbraw/zinc/61/94/83/343619483.db2.gz IHHDPPHRGFUPKG-NSHDSACASA-N 0 3 197.278 2.040 20 0 AEADHN C[C@H]1C[C@@H](NCc2ccco2)CS1 86933957 343657525 /nfs/dbraw/zinc/65/75/25/343657525.db2.gz CAFGHHWRLGRVGI-DTWKUNHWSA-N 0 3 197.303 2.263 20 0 AEADHN CCCCNc1cc(NC)nc(C)n1 87807902 343665134 /nfs/dbraw/zinc/66/51/34/343665134.db2.gz DPKGEFOVEQAVTA-UHFFFAOYSA-N 0 3 194.282 2.039 20 0 AEADHN Cc1noc(C)c1CNCC(C)(C)C 88347629 343670982 /nfs/dbraw/zinc/67/09/82/343670982.db2.gz JBIAJJBEUNBXPK-UHFFFAOYSA-N 0 3 196.294 2.427 20 0 AEADHN Cc1cccc([C@H](N)C2CCC2)n1 95669470 343685467 /nfs/dbraw/zinc/68/54/67/343685467.db2.gz IWBLZVUVUJSROI-LLVKDONJSA-N 0 3 176.263 2.190 20 0 AEADHN Cc1cccc([C@@H](N)C2CCC2)n1 95685238 343685516 /nfs/dbraw/zinc/68/55/16/343685516.db2.gz IWBLZVUVUJSROI-NSHDSACASA-N 0 3 176.263 2.190 20 0 AEADHN C[C@H]1OCC[C@H]1NCc1cccs1 96033527 343693875 /nfs/dbraw/zinc/69/38/75/343693875.db2.gz LECGCRTZNBFTGO-PSASIEDQSA-N 0 3 197.303 2.015 20 0 AEADHN C[C@@H](CNCc1cc[nH]n1)C(C)(C)C 96610087 343700228 /nfs/dbraw/zinc/70/02/28/343700228.db2.gz BKSOAXJJVXKYDP-VIFPVBQESA-N 0 3 195.310 2.182 20 0 AEADHN C[C@H](CNCc1ncc[nH]1)C(C)(C)C 96610327 343700235 /nfs/dbraw/zinc/70/02/35/343700235.db2.gz QIPXGTQPQFHBHH-SECBINFHSA-N 0 3 195.310 2.182 20 0 AEADHN C[C@@H](CNCc1ncc[nH]1)C(C)(C)C 96610326 343700244 /nfs/dbraw/zinc/70/02/44/343700244.db2.gz QIPXGTQPQFHBHH-VIFPVBQESA-N 0 3 195.310 2.182 20 0 AEADHN CC[C@H](COC)NCc1occc1C 126928301 343800468 /nfs/dbraw/zinc/80/04/68/343800468.db2.gz YNXIFPPRULQHLQ-SNVBAGLBSA-N 0 3 197.278 2.103 20 0 AEADHN CC[C@@H](COC)NCc1occc1C 126928090 343800472 /nfs/dbraw/zinc/80/04/72/343800472.db2.gz YNXIFPPRULQHLQ-JTQLQIEISA-N 0 3 197.278 2.103 20 0 AEADHN CSC[C@H](C)NCc1occc1C 126918143 343800500 /nfs/dbraw/zinc/80/05/00/343800500.db2.gz RLMUJPXXLRTBAO-VIFPVBQESA-N 0 3 199.319 2.429 20 0 AEADHN CSC[C@@H](C)NCc1ccc(C)o1 124987719 343788492 /nfs/dbraw/zinc/78/84/92/343788492.db2.gz BPYZZSBSGSNEOT-MRVPVSSYSA-N 0 3 199.319 2.429 20 0 AEADHN Cc1ccoc1CNC[C@H]1C[C@H]1C 126667844 343795573 /nfs/dbraw/zinc/79/55/73/343795573.db2.gz IRAVVUWZYILJPU-NXEZZACHSA-N 0 3 179.263 2.334 20 0 AEADHN Cc1oc2c(C)cc(F)cc2c1[O-] 129258841 343847190 /nfs/dbraw/zinc/84/71/90/343847190.db2.gz AGJVIMYFPJQMQY-ZCFIWIBFSA-N 0 3 180.178 2.098 20 0 AEADHN Cc1cc(F)cc2c1OC(C)C2=O 129258841 343847191 /nfs/dbraw/zinc/84/71/91/343847191.db2.gz AGJVIMYFPJQMQY-ZCFIWIBFSA-N 0 3 180.178 2.098 20 0 AEADHN C(=C/c1ccncc1)\CN1CCCC1 336339168 166045006 /nfs/dbraw/zinc/04/50/06/166045006.db2.gz MFJIBSKBKTYLBP-ONEGZZNKSA-N 0 3 188.274 2.191 20 0 AEADHN C/C(Cl)=C\CN1CCCC1 33315136 166057960 /nfs/dbraw/zinc/05/79/60/166057960.db2.gz RLERGDRCKGZICS-XBXARRHUSA-N 0 3 159.660 2.225 20 0 AEADHN C/C=C/c1cccc2c1CNC2 66054946 166067022 /nfs/dbraw/zinc/06/70/22/166067022.db2.gz SDMYIMLARLHDGK-DUXPYHPUSA-N 0 3 159.232 2.323 20 0 AEADHN C1=CC[C@H](NCc2ccco2)CC1 80124205 166075712 /nfs/dbraw/zinc/07/57/12/166075712.db2.gz RHJMIQSBIPYWPY-JTQLQIEISA-N 0 3 177.247 2.478 20 0 AEADHN C1=CC[C@@H](NCc2ccco2)CC1 80124211 166076821 /nfs/dbraw/zinc/07/68/21/166076821.db2.gz RHJMIQSBIPYWPY-SNVBAGLBSA-N 0 3 177.247 2.478 20 0 AEADHN C1=C[C@@H](N2CCSCC2)CCC1 306659763 166077472 /nfs/dbraw/zinc/07/74/72/166077472.db2.gz LWXRYYYFRGKHEK-SNVBAGLBSA-N 0 3 183.320 2.144 20 0 AEADHN C1=C[C@@H](NCc2cncs2)CCC1 124373817 166077622 /nfs/dbraw/zinc/07/76/22/166077622.db2.gz RRIXFWDHQZFWHG-SECBINFHSA-N 0 3 194.303 2.341 20 0 AEADHN C1=C[C@H](NCc2cncs2)CCC1 124373553 166078509 /nfs/dbraw/zinc/07/85/09/166078509.db2.gz RRIXFWDHQZFWHG-VIFPVBQESA-N 0 3 194.303 2.341 20 0 AEADHN C1=C[C@H](N2CCSCC2)CCC1 306659762 166078516 /nfs/dbraw/zinc/07/85/16/166078516.db2.gz LWXRYYYFRGKHEK-JTQLQIEISA-N 0 3 183.320 2.144 20 0 AEADHN C1CC(CN2CCO[C@@H]3CCC[C@H]32)C1 336152428 166083056 /nfs/dbraw/zinc/08/30/56/166083056.db2.gz QIMDNHZBYKUOAD-VXGBXAGGSA-N 0 3 195.306 2.040 20 0 AEADHN C1CC(CN2CCO[C@H]3CCC[C@H]32)C1 334904528 166083421 /nfs/dbraw/zinc/08/34/21/166083421.db2.gz QIMDNHZBYKUOAD-NEPJUHHUSA-N 0 3 195.306 2.040 20 0 AEADHN C1CC(CN2CCOCC23CCC3)C1 336172685 166083482 /nfs/dbraw/zinc/08/34/82/166083482.db2.gz YFFFDYFYNLNZCR-UHFFFAOYSA-N 0 3 195.306 2.041 20 0 AEADHN C1CC(CN2CCO[C@@H]3CCC[C@@H]32)C1 336152426 166084036 /nfs/dbraw/zinc/08/40/36/166084036.db2.gz QIMDNHZBYKUOAD-NWDGAFQWSA-N 0 3 195.306 2.040 20 0 AEADHN C1CC(CN2CCOC3(CCC3)C2)C1 334255303 166084421 /nfs/dbraw/zinc/08/44/21/166084421.db2.gz YMBDBBUEIIGGJF-UHFFFAOYSA-N 0 3 195.306 2.041 20 0 AEADHN C1CC2(C1)CN(CCC1CC1)CCO2 334884558 166084841 /nfs/dbraw/zinc/08/48/41/166084841.db2.gz CSCMMHFRYJBVPV-UHFFFAOYSA-N 0 3 195.306 2.041 20 0 AEADHN C1CC2(C1)COCCN2CCC1CC1 335025612 166085910 /nfs/dbraw/zinc/08/59/10/166085910.db2.gz WJPKRLRCTIIEKQ-UHFFFAOYSA-N 0 3 195.306 2.041 20 0 AEADHN C1CCC(N2CCOC3(CCC3)C2)C1 335814917 166086643 /nfs/dbraw/zinc/08/66/43/166086643.db2.gz XJWHYABJQXIDON-UHFFFAOYSA-N 0 3 195.306 2.184 20 0 AEADHN C1CCC(CN2C[C@@H]3CC[C@H](C2)O3)C1 336537194 166087977 /nfs/dbraw/zinc/08/79/77/166087977.db2.gz CKQKRWWNEHYJPQ-TXEJJXNPSA-N 0 3 195.306 2.040 20 0 AEADHN C1CCC(CN2CCOCC23CC3)C1 335059908 166088106 /nfs/dbraw/zinc/08/81/06/166088106.db2.gz LAHBPRNAKYUNFE-UHFFFAOYSA-N 0 3 195.306 2.041 20 0 AEADHN C1CCC2(C1)CN(CC1CC1)CCO2 334310931 166089448 /nfs/dbraw/zinc/08/94/48/166089448.db2.gz PUULRBIDZSLTNM-UHFFFAOYSA-N 0 3 195.306 2.041 20 0 AEADHN C1CC[C@@H]2[C@@H](C1)OCCN2CC1CC1 336554701 166093466 /nfs/dbraw/zinc/09/34/66/166093466.db2.gz BYABDEIMSUTODT-VXGBXAGGSA-N 0 3 195.306 2.040 20 0 AEADHN C1CC[C@H]2[C@H](C1)OCCN2CC1CC1 336554700 166093882 /nfs/dbraw/zinc/09/38/82/166093882.db2.gz BYABDEIMSUTODT-RYUDHWBXSA-N 0 3 195.306 2.040 20 0 AEADHN C1CC[C@H]2OCCN(CC3CC3)[C@H]2C1 336554699 166093904 /nfs/dbraw/zinc/09/39/04/166093904.db2.gz BYABDEIMSUTODT-NWDGAFQWSA-N 0 3 195.306 2.040 20 0 AEADHN C1CC[C@@H]2[C@H](C1)OCCN2CC1CC1 336554698 166093991 /nfs/dbraw/zinc/09/39/91/166093991.db2.gz BYABDEIMSUTODT-NEPJUHHUSA-N 0 3 195.306 2.040 20 0 AEADHN C1C[C@@H]2OCCN(CCC3CC3)[C@H]2C1 335557015 166106788 /nfs/dbraw/zinc/10/67/88/166106788.db2.gz SYRCPGRICZXVHO-RYUDHWBXSA-N 0 3 195.306 2.040 20 0 AEADHN C1C[C@@H]2OCCN(CCC3CC3)[C@@H]2C1 335557013 166107171 /nfs/dbraw/zinc/10/71/71/166107171.db2.gz SYRCPGRICZXVHO-NEPJUHHUSA-N 0 3 195.306 2.040 20 0 AEADHN C1C[C@H]2OCCN(CCC3CC3)[C@@H]2C1 335557016 166108743 /nfs/dbraw/zinc/10/87/43/166108743.db2.gz SYRCPGRICZXVHO-VXGBXAGGSA-N 0 3 195.306 2.040 20 0 AEADHN C1C[C@H]2[C@@H](C1)OCCN2CCC1CC1 335557014 166109719 /nfs/dbraw/zinc/10/97/19/166109719.db2.gz SYRCPGRICZXVHO-NWDGAFQWSA-N 0 3 195.306 2.040 20 0 AEADHN C1CC(CN2CCO[C@H]3CCC[C@@H]32)C1 336152427 166082638 /nfs/dbraw/zinc/08/26/38/166082638.db2.gz QIMDNHZBYKUOAD-RYUDHWBXSA-N 0 3 195.306 2.040 20 0 AEADHN CC(=O)CN(C)[C@H]1CCCC[C@H]1C 42609187 166243817 /nfs/dbraw/zinc/24/38/17/166243817.db2.gz NHVLWAHNBCRYJV-KOLCDFICSA-N 0 3 183.295 2.086 20 0 AEADHN CC(=O)CN(C)[C@H]1CCCC[C@@H]1C 42609188 166243971 /nfs/dbraw/zinc/24/39/71/166243971.db2.gz NHVLWAHNBCRYJV-ONGXEEELSA-N 0 3 183.295 2.086 20 0 AEADHN CC(=O)CN(C)C1CCC(C)CC1 42487968 166244228 /nfs/dbraw/zinc/24/42/28/166244228.db2.gz IRQGFUZPWXUBDO-UHFFFAOYSA-N 0 3 183.295 2.086 20 0 AEADHN CC(=O)CN(C)[C@@H]1CCCC[C@@H]1C 42609190 166244245 /nfs/dbraw/zinc/24/42/45/166244245.db2.gz NHVLWAHNBCRYJV-GXSJLCMTSA-N 0 3 183.295 2.086 20 0 AEADHN CC(=O)CN(C)[C@@H]1CCCC[C@H]1C 42609189 166244513 /nfs/dbraw/zinc/24/45/13/166244513.db2.gz NHVLWAHNBCRYJV-MWLCHTKSSA-N 0 3 183.295 2.086 20 0 AEADHN CC(=O)CN1CC[C@@H]2CCCC[C@@H]2C1 37340293 166244633 /nfs/dbraw/zinc/24/46/33/166244633.db2.gz LORWLKQMBRJNMT-NWDGAFQWSA-N 0 3 195.306 2.088 20 0 AEADHN CC(=O)CN1CC[C@H]2CCCC[C@@H]2C1 37340294 166244693 /nfs/dbraw/zinc/24/46/93/166244693.db2.gz LORWLKQMBRJNMT-VXGBXAGGSA-N 0 3 195.306 2.088 20 0 AEADHN CC(=O)CN(C)C1CCCCCC1 37340214 166244862 /nfs/dbraw/zinc/24/48/62/166244862.db2.gz MDUFTDDSGKZENW-UHFFFAOYSA-N 0 3 183.295 2.230 20 0 AEADHN CC(C)(C)C(=O)c1ccc(CN)s1 90397615 166345402 /nfs/dbraw/zinc/34/54/02/166345402.db2.gz RCORGPJOFSZLFH-UHFFFAOYSA-N 0 3 197.303 2.436 20 0 AEADHN CC(C)(C)CC[C@H](N)c1ncc[nH]1 87340747 166351057 /nfs/dbraw/zinc/35/10/57/166351057.db2.gz IWXUXEGPTQQSMS-QMMMGPOBSA-N 0 3 181.283 2.236 20 0 AEADHN CC(C)(C)CCN1C[C@@H]2CC[C@H](C1)O2 334208918 166351964 /nfs/dbraw/zinc/35/19/64/166351964.db2.gz MKDNSAILLGMSQI-PHIMTYICSA-N 0 3 197.322 2.286 20 0 AEADHN CC(C)(C)CCN1CCOCC12CC2 335799501 166352085 /nfs/dbraw/zinc/35/20/85/166352085.db2.gz AIRVEWXAJDEWQF-UHFFFAOYSA-N 0 3 197.322 2.287 20 0 AEADHN CC(C)(C)CC[C@@H](N)c1ncc[nH]1 87340749 166352538 /nfs/dbraw/zinc/35/25/38/166352538.db2.gz IWXUXEGPTQQSMS-MRVPVSSYSA-N 0 3 181.283 2.236 20 0 AEADHN CC(C)(C)CNCc1cscn1 40505586 166353027 /nfs/dbraw/zinc/35/30/27/166353027.db2.gz VGSXNOVFPFRVAC-UHFFFAOYSA-N 0 3 184.308 2.279 20 0 AEADHN CC(C)(C)CNCc1cncs1 54788280 166353768 /nfs/dbraw/zinc/35/37/68/166353768.db2.gz VHCZNXQGVLVKOA-UHFFFAOYSA-N 0 3 184.308 2.279 20 0 AEADHN CC(C)(C)CNCc1nccs1 41051488 166354585 /nfs/dbraw/zinc/35/45/85/166354585.db2.gz HYIUVSRGQFZTPM-UHFFFAOYSA-N 0 3 184.308 2.279 20 0 AEADHN CC(C)(C)CNCc1ccccn1 40492668 166354649 /nfs/dbraw/zinc/35/46/49/166354649.db2.gz HRHRREZBIFCSFO-UHFFFAOYSA-N 0 3 178.279 2.217 20 0 AEADHN CC(C)(C)N1C[C@@H]2CCC[C@H](C1)C2=O 32629167 166360768 /nfs/dbraw/zinc/36/07/68/166360768.db2.gz UDERNUUEIDSFRT-AOOOYVTPSA-N 0 3 195.306 2.086 20 0 AEADHN CC(C)(C)[NH2+]Cc1ccc([O-])c(F)c1 83342755 166364954 /nfs/dbraw/zinc/36/49/54/166364954.db2.gz XTYUKPOZWQRMLJ-UHFFFAOYSA-N 0 3 197.253 2.419 20 0 AEADHN CC(C)(C)NCc1cncc(F)c1 69049584 166365687 /nfs/dbraw/zinc/36/56/87/166365687.db2.gz AGTHRXKBVYCYGD-UHFFFAOYSA-N 0 3 182.242 2.109 20 0 AEADHN CC(C)(C)[C@@H](O)c1ccc(CN)s1 75468476 166375513 /nfs/dbraw/zinc/37/55/13/166375513.db2.gz VUHBENMXEYPDFZ-VIFPVBQESA-N 0 3 199.319 2.286 20 0 AEADHN CC(C)(C)[C@@H]1CN(CC2CC2)CCO1 336251604 166375927 /nfs/dbraw/zinc/37/59/27/166375927.db2.gz XIMAEAUZIOMWNJ-NSHDSACASA-N 0 3 197.322 2.143 20 0 AEADHN CC(C)(C)[C@H](O)c1ccc(CN)s1 75468473 166379791 /nfs/dbraw/zinc/37/97/91/166379791.db2.gz VUHBENMXEYPDFZ-SECBINFHSA-N 0 3 199.319 2.286 20 0 AEADHN CC(C)(C)[C@H]1CN(CC2CC2)CCO1 336251603 166381084 /nfs/dbraw/zinc/38/10/84/166381084.db2.gz XIMAEAUZIOMWNJ-LLVKDONJSA-N 0 3 197.322 2.143 20 0 AEADHN CC(C)NCc1cc(F)ccc1F 36947902 166544250 /nfs/dbraw/zinc/54/42/50/166544250.db2.gz FQOFXFJVJXONKJ-UHFFFAOYSA-N 0 3 185.217 2.463 20 0 AEADHN CC1(C)CC[C@@H]1NCc1nccs1 306384212 166677938 /nfs/dbraw/zinc/67/79/38/166677938.db2.gz BYFZGBCLWRNGFS-QMMMGPOBSA-N 0 3 196.319 2.421 20 0 AEADHN CC1(NCc2ncc[nH]2)CCCCC1 45042901 166709633 /nfs/dbraw/zinc/70/96/33/166709633.db2.gz JGWRZBSWNBIUDG-UHFFFAOYSA-N 0 3 193.294 2.222 20 0 AEADHN CCC(CC)NCc1nccn1CC 22861849 166795031 /nfs/dbraw/zinc/79/50/31/166795031.db2.gz XIXZXQYQUMHTNW-UHFFFAOYSA-N 0 3 195.310 2.181 20 0 AEADHN CCC(CC)NCc1cc(C)on1 44295776 166795207 /nfs/dbraw/zinc/79/52/07/166795207.db2.gz ODHORRRJJWUMAO-UHFFFAOYSA-N 0 3 182.267 2.261 20 0 AEADHN CCCCCNCc1nccs1 41012353 166866437 /nfs/dbraw/zinc/86/64/37/166866437.db2.gz HFQFLGSHLWYWGV-UHFFFAOYSA-N 0 3 184.308 2.423 20 0 AEADHN CCCCC[C@@H](C)NCc1ncc[nH]1 49714864 166871568 /nfs/dbraw/zinc/87/15/68/166871568.db2.gz ZJYNNNOIAVQTNS-SNVBAGLBSA-N 0 3 195.310 2.468 20 0 AEADHN CCCN1CCO[C@@H]2CCCC[C@@H]21 335715583 166967897 /nfs/dbraw/zinc/96/78/97/166967897.db2.gz AIJWRDJKYZUZIB-WDEREUQCSA-N 0 3 183.295 2.040 20 0 AEADHN CCCN[C@H](C)c1ccccn1 19477948 167000085 /nfs/dbraw/zinc/00/00/85/167000085.db2.gz NOUCUSJSABVUCN-SECBINFHSA-N 0 3 164.252 2.142 20 0 AEADHN 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/nfs/dbraw/zinc/39/43/12/167394312.db2.gz IAZLOBHLETWRHR-SECBINFHSA-N 0 3 197.278 2.103 20 0 AEADHN CCOC[C@@H](C)NCc1cccs1 44688385 167394407 /nfs/dbraw/zinc/39/44/07/167394407.db2.gz CVGUTFDLXRCENF-SECBINFHSA-N 0 3 199.319 2.263 20 0 AEADHN CCOC[C@@H](C)NCc1ccccc1 44689607 167394530 /nfs/dbraw/zinc/39/45/30/167394530.db2.gz RFGMHZRPXRVHIC-LLVKDONJSA-N 0 3 193.290 2.201 20 0 AEADHN CCOC[C@H](C)NCc1ccsc1 44688436 167396275 /nfs/dbraw/zinc/39/62/75/167396275.db2.gz HAISKQGQSSDLKB-VIFPVBQESA-N 0 3 199.319 2.263 20 0 AEADHN CCOC[C@H](C)NCc1ccc(C)o1 44688417 167397448 /nfs/dbraw/zinc/39/74/48/167397448.db2.gz IAZLOBHLETWRHR-VIFPVBQESA-N 0 3 197.278 2.103 20 0 AEADHN CCOC[C@H](C)NCc1ccccc1 44689609 167397875 /nfs/dbraw/zinc/39/78/75/167397875.db2.gz RFGMHZRPXRVHIC-NSHDSACASA-N 0 3 193.290 2.201 20 0 AEADHN CCOC[C@H](C)NCc1cccs1 44688388 167398140 /nfs/dbraw/zinc/39/81/40/167398140.db2.gz CVGUTFDLXRCENF-VIFPVBQESA-N 0 3 199.319 2.263 20 0 AEADHN CC[C@H](C)NCc1ncccc1C 51794321 167614759 /nfs/dbraw/zinc/61/47/59/167614759.db2.gz KTVROQKWPUACDQ-JTQLQIEISA-N 0 3 178.279 2.278 20 0 AEADHN CC[C@H](C)[NH2+]Cc1ccc([O-])c(F)c1 83342739 167615114 /nfs/dbraw/zinc/61/51/14/167615114.db2.gz GRVGZOYOYRNFSB-QMMMGPOBSA-N 0 3 197.253 2.419 20 0 AEADHN CC[C@H](C)NCc1csc(C)n1 20252809 167615610 /nfs/dbraw/zinc/61/56/10/167615610.db2.gz IVAPMJXKZYJNHS-ZETCQYMHSA-N 0 3 184.308 2.340 20 0 AEADHN CCc1sc([C@H](C)N)nc1C 83340023 167795012 /nfs/dbraw/zinc/79/50/12/167795012.db2.gz FWZJMTMMXMULKC-YFKPBYRVSA-N 0 3 170.281 2.034 20 0 AEADHN CCn1ccnc1CN[C@@H](C)C(C)C 51921401 167805118 /nfs/dbraw/zinc/80/51/18/167805118.db2.gz KIJFPEXAKKTGFN-JTQLQIEISA-N 0 3 195.310 2.037 20 0 AEADHN CCn1ccnc1CNC(C)(C)CC 51920668 167805621 /nfs/dbraw/zinc/80/56/21/167805621.db2.gz SRANJNCUMZSDAI-UHFFFAOYSA-N 0 3 195.310 2.181 20 0 AEADHN CNCc1ccccc1OC(F)F 19274461 168020204 /nfs/dbraw/zinc/02/02/04/168020204.db2.gz VLUDGNVGCUKISU-UHFFFAOYSA-N 0 3 187.189 2.007 20 0 AEADHN CNCc1cnn(C2CCCCC2)c1 40538495 168021872 /nfs/dbraw/zinc/02/18/72/168021872.db2.gz YKRSYFLAJNSPDQ-UHFFFAOYSA-N 0 3 193.294 2.108 20 0 AEADHN CNCc1nc(C2CC2)c(C)s1 300755795 168024048 /nfs/dbraw/zinc/02/40/48/168024048.db2.gz MMPGSOMYDOACEA-UHFFFAOYSA-N 0 3 182.292 2.048 20 0 AEADHN CN[C@@H](C)c1ccc(F)cc1F 21963547 168034126 /nfs/dbraw/zinc/03/41/26/168034126.db2.gz WZTWPNDSZMOORY-LURJTMIESA-N 0 3 171.190 2.245 20 0 AEADHN CN[C@H](C)c1ccc(F)cc1F 21963553 168051483 /nfs/dbraw/zinc/05/14/83/168051483.db2.gz WZTWPNDSZMOORY-ZCFIWIBFSA-N 0 3 171.190 2.245 20 0 AEADHN CN[C@H]1CCCc2c1ncn2C(C)C 76088108 168056751 /nfs/dbraw/zinc/05/67/51/168056751.db2.gz HMSQDDFTMQGRMX-VIFPVBQESA-N 0 3 193.294 2.061 20 0 AEADHN CN[C@@H]1CCCc2c1ncn2C(C)C 76088113 168041569 /nfs/dbraw/zinc/04/15/69/168041569.db2.gz HMSQDDFTMQGRMX-SECBINFHSA-N 0 3 193.294 2.061 20 0 AEADHN COCCCN[C@@H](C)c1ccc(C)o1 20142428 168156225 /nfs/dbraw/zinc/15/62/25/168156225.db2.gz JEPGMVZJLUJBEX-JTQLQIEISA-N 0 3 197.278 2.275 20 0 AEADHN COCCCN[C@H](C)c1ccc(C)o1 20142431 168156528 /nfs/dbraw/zinc/15/65/28/168156528.db2.gz JEPGMVZJLUJBEX-SNVBAGLBSA-N 0 3 197.278 2.275 20 0 AEADHN COCCNCc1c(C)cccc1C 83342030 168165270 /nfs/dbraw/zinc/16/52/70/168165270.db2.gz VSBTVCVNOWDYBI-UHFFFAOYSA-N 0 3 193.290 2.039 20 0 AEADHN COCCN[C@H](C)c1ccsc1 50337392 168167210 /nfs/dbraw/zinc/16/72/10/168167210.db2.gz RTPHNNLTURPZFD-MRVPVSSYSA-N 0 3 185.292 2.045 20 0 AEADHN COCCN[C@@H](C)c1ccccc1F 19881391 168167518 /nfs/dbraw/zinc/16/75/18/168167518.db2.gz DVCFBQHQUQMBSO-VIFPVBQESA-N 0 3 197.253 2.123 20 0 AEADHN COCCN[C@@H](C)c1cccc(C)c1 37186368 168167695 /nfs/dbraw/zinc/16/76/95/168167695.db2.gz PJIRGMPADWRMLT-NSHDSACASA-N 0 3 193.290 2.292 20 0 AEADHN COCCN[C@H](C)c1cccc(C)c1 37186367 168168147 /nfs/dbraw/zinc/16/81/47/168168147.db2.gz PJIRGMPADWRMLT-LLVKDONJSA-N 0 3 193.290 2.292 20 0 AEADHN COCCN[C@@H](C)c1ccsc1 50337389 168168601 /nfs/dbraw/zinc/16/86/01/168168601.db2.gz RTPHNNLTURPZFD-QMMMGPOBSA-N 0 3 185.292 2.045 20 0 AEADHN COCCN[C@@H](C)c1sccc1C 69635809 168168733 /nfs/dbraw/zinc/16/87/33/168168733.db2.gz DKUFXCOZGYMKAL-VIFPVBQESA-N 0 3 199.319 2.354 20 0 AEADHN COCCN[C@H](C)c1ccc(F)cc1 19881400 168168772 /nfs/dbraw/zinc/16/87/72/168168772.db2.gz FSNQMQQXIKMVKW-SECBINFHSA-N 0 3 197.253 2.123 20 0 AEADHN COCCN[C@@H](C)c1ccc(F)cc1 19881398 168168789 /nfs/dbraw/zinc/16/87/89/168168789.db2.gz FSNQMQQXIKMVKW-VIFPVBQESA-N 0 3 197.253 2.123 20 0 AEADHN COCCN[C@H](C)c1sccc1C 69635807 168168829 /nfs/dbraw/zinc/16/88/29/168168829.db2.gz DKUFXCOZGYMKAL-SECBINFHSA-N 0 3 199.319 2.354 20 0 AEADHN COCCN[C@H](C)c1ccccc1F 19881394 168168866 /nfs/dbraw/zinc/16/88/66/168168866.db2.gz DVCFBQHQUQMBSO-SECBINFHSA-N 0 3 197.253 2.123 20 0 AEADHN COCC[C@@H](C)N[C@@H](C)c1ccco1 45019246 168172651 /nfs/dbraw/zinc/17/26/51/168172651.db2.gz QUWFGVHEVDKTTQ-ZJUUUORDSA-N 0 3 197.278 2.355 20 0 AEADHN COCC[C@@H](C)N[C@H](C)c1ccco1 45019250 168174047 /nfs/dbraw/zinc/17/40/47/168174047.db2.gz QUWFGVHEVDKTTQ-NXEZZACHSA-N 0 3 197.278 2.355 20 0 AEADHN COCC[C@H](C)N[C@H](C)c1ccco1 45019248 168174630 /nfs/dbraw/zinc/17/46/30/168174630.db2.gz QUWFGVHEVDKTTQ-VHSXEESVSA-N 0 3 197.278 2.355 20 0 AEADHN COCC[C@H](C)N[C@@H](C)c1ccco1 45019243 168174877 /nfs/dbraw/zinc/17/48/77/168174877.db2.gz QUWFGVHEVDKTTQ-UWVGGRQHSA-N 0 3 197.278 2.355 20 0 AEADHN COC[C@@H](C)CN[C@H](C)c1ccco1 45656457 168179038 /nfs/dbraw/zinc/17/90/38/168179038.db2.gz GTNVMTQMDAFAOR-VHSXEESVSA-N 0 3 197.278 2.213 20 0 AEADHN COC[C@@H](C)CN[C@@H](C)c1ccco1 45656453 168179300 /nfs/dbraw/zinc/17/93/00/168179300.db2.gz GTNVMTQMDAFAOR-UWVGGRQHSA-N 0 3 197.278 2.213 20 0 AEADHN COC[C@@H](C)N[C@H](C)c1ccsc1 50337612 168180035 /nfs/dbraw/zinc/18/00/35/168180035.db2.gz PFGWLOZHQZJQST-RKDXNWHRSA-N 0 3 199.319 2.434 20 0 AEADHN COC[C@@H](C)N1Cc2ccccc2C1 336606170 168180470 /nfs/dbraw/zinc/18/04/70/168180470.db2.gz XFBCKUFEOFDHNJ-SNVBAGLBSA-N 0 3 191.274 2.037 20 0 AEADHN COC[C@@H](C)N[C@@H](C)c1ccsc1 50337607 168180900 /nfs/dbraw/zinc/18/09/00/168180900.db2.gz PFGWLOZHQZJQST-BDAKNGLRSA-N 0 3 199.319 2.434 20 0 AEADHN COC[C@@H](C)NCc1ccc(C)s1 20087422 168181428 /nfs/dbraw/zinc/18/14/28/168181428.db2.gz KIMLAKXNVMEVFR-MRVPVSSYSA-N 0 3 199.319 2.181 20 0 AEADHN COC[C@@H](C)NCc1sccc1C 19904446 168181580 /nfs/dbraw/zinc/18/15/80/168181580.db2.gz BEEKIUDLHRXCSG-SECBINFHSA-N 0 3 199.319 2.181 20 0 AEADHN COC[C@H](C)N1Cc2ccccc2C1 336606169 168187483 /nfs/dbraw/zinc/18/74/83/168187483.db2.gz XFBCKUFEOFDHNJ-JTQLQIEISA-N 0 3 191.274 2.037 20 0 AEADHN COC[C@H](C)CN[C@@H](C)c1ccco1 45656455 168188050 /nfs/dbraw/zinc/18/80/50/168188050.db2.gz GTNVMTQMDAFAOR-ZJUUUORDSA-N 0 3 197.278 2.213 20 0 AEADHN COC[C@H](C)CN[C@H](C)c1ccco1 45656459 168188766 /nfs/dbraw/zinc/18/87/66/168188766.db2.gz GTNVMTQMDAFAOR-NXEZZACHSA-N 0 3 197.278 2.213 20 0 AEADHN COC[C@H](C)N[C@@H](C)c1ccsc1 50337605 168189424 /nfs/dbraw/zinc/18/94/24/168189424.db2.gz PFGWLOZHQZJQST-IUCAKERBSA-N 0 3 199.319 2.434 20 0 AEADHN COC[C@H](C)NCc1ccc(C)s1 20087424 168189536 /nfs/dbraw/zinc/18/95/36/168189536.db2.gz KIMLAKXNVMEVFR-QMMMGPOBSA-N 0 3 199.319 2.181 20 0 AEADHN COC[C@H](C)N[C@H](C)c1ccsc1 50337610 168189582 /nfs/dbraw/zinc/18/95/82/168189582.db2.gz PFGWLOZHQZJQST-DTWKUNHWSA-N 0 3 199.319 2.434 20 0 AEADHN COC[C@H](C)NCc1sccc1C 19904448 168189696 /nfs/dbraw/zinc/18/96/96/168189696.db2.gz BEEKIUDLHRXCSG-VIFPVBQESA-N 0 3 199.319 2.181 20 0 AEADHN CO[C@@H]1CCCN(CC=C(C)C)C1 306211498 168206417 /nfs/dbraw/zinc/20/64/17/168206417.db2.gz QDNGTEVSPFYBBJ-LLVKDONJSA-N 0 3 183.295 2.063 20 0 AEADHN CO[C@H](C)CN1Cc2ccccc2C1 335818696 168213757 /nfs/dbraw/zinc/21/37/57/168213757.db2.gz WHRIYBCUYRFSHQ-SNVBAGLBSA-N 0 3 191.274 2.037 20 0 AEADHN CO[C@H]1CCCN(CC=C(C)C)C1 306211499 168215952 /nfs/dbraw/zinc/21/59/52/168215952.db2.gz QDNGTEVSPFYBBJ-NSHDSACASA-N 0 3 183.295 2.063 20 0 AEADHN COc1ccc(CNC2CC2)cc1F 36923700 168251634 /nfs/dbraw/zinc/25/16/34/168251634.db2.gz GAEWCNZNYCHWRT-UHFFFAOYSA-N 0 3 195.237 2.086 20 0 AEADHN COc1ccc2c(c1)CNCC2(C)C 58521513 168261245 /nfs/dbraw/zinc/26/12/45/168261245.db2.gz UZZATCHNQIJRHQ-UHFFFAOYSA-N 0 3 191.274 2.076 20 0 AEADHN COc1ccc2c(c1)CCN=C2C 34171525 168262458 /nfs/dbraw/zinc/26/24/58/168262458.db2.gz YRRBATAVUCSTRH-UHFFFAOYSA-N 0 3 175.231 2.060 20 0 AEADHN COc1cccc([C@@H]2CCCN2C)c1 28096957 168271139 /nfs/dbraw/zinc/27/11/39/168271139.db2.gz YNVVGTIPLFBWBE-LBPRGKRZSA-N 0 3 191.274 2.462 20 0 AEADHN COc1cccc([C@H]2CCCN2C)c1 28096962 168272955 /nfs/dbraw/zinc/27/29/55/168272955.db2.gz YNVVGTIPLFBWBE-GFCCVEGCSA-N 0 3 191.274 2.462 20 0 AEADHN COc1ccsc1CN1CCCC1 306580739 168280032 /nfs/dbraw/zinc/28/00/32/168280032.db2.gz YTMBRYRBNHLZSB-UHFFFAOYSA-N 0 3 197.303 2.353 20 0 AEADHN COc1ccnc(NCC(C)C)c1 83340493 168280262 /nfs/dbraw/zinc/28/02/62/168280262.db2.gz QTAFKVYTYKUJCK-UHFFFAOYSA-N 0 3 180.251 2.158 20 0 AEADHN CSCCN[C@@H](C)c1ccco1 49900278 168300600 /nfs/dbraw/zinc/30/06/00/168300600.db2.gz QYJYXALLMCRKMZ-QMMMGPOBSA-N 0 3 185.292 2.293 20 0 AEADHN CSCCN[C@H](C)c1ccco1 49900279 168300830 /nfs/dbraw/zinc/30/08/30/168300830.db2.gz QYJYXALLMCRKMZ-MRVPVSSYSA-N 0 3 185.292 2.293 20 0 AEADHN CSCCCNCc1ccco1 20083987 168300863 /nfs/dbraw/zinc/30/08/63/168300863.db2.gz DLACHGZNOLVIJQ-UHFFFAOYSA-N 0 3 185.292 2.122 20 0 AEADHN CS[C@H]1CCN(Cc2ccco2)C1 336208829 168307529 /nfs/dbraw/zinc/30/75/29/168307529.db2.gz NGJFNUHYDGCIGA-JTQLQIEISA-N 0 3 197.303 2.217 20 0 AEADHN CS[C@@H]1CCN(Cc2ccco2)C1 336208830 168307847 /nfs/dbraw/zinc/30/78/47/168307847.db2.gz NGJFNUHYDGCIGA-SNVBAGLBSA-N 0 3 197.303 2.217 20 0 AEADHN CSc1ccc2c(c1)CNC2 95835518 168312074 /nfs/dbraw/zinc/31/20/74/168312074.db2.gz MFZZSWVHFOAKKU-UHFFFAOYSA-N 0 3 165.261 2.012 20 0 AEADHN C[C@@H](C(N)=O)N1CC[C@@H](C)C(C)(C)C1 336573557 168324896 /nfs/dbraw/zinc/32/48/96/168324896.db2.gz PHJNFCDWPYZDIG-BDAKNGLRSA-N 0 3 198.310 2.278 20 0 AEADHN C[C@@H](C(N)=O)N1CCC[C@H](C2CC2)C1 336343167 168324964 /nfs/dbraw/zinc/32/49/64/168324964.db2.gz IGWYUIOWBJHZMI-WPRPVWTQSA-N 0 3 196.294 2.032 20 0 AEADHN C[C@@H](C(N)=O)N1C[C@H](C)CC(C)(C)C1 334433064 168325339 /nfs/dbraw/zinc/32/53/39/168325339.db2.gz XGNAZHQVFVDPHN-BDAKNGLRSA-N 0 3 198.310 2.278 20 0 AEADHN C[C@@H](C(N)=O)N1CCC[C@@H](C2CC2)C1 336343166 168325455 /nfs/dbraw/zinc/32/54/55/168325455.db2.gz IGWYUIOWBJHZMI-WCBMZHEXSA-N 0 3 196.294 2.032 20 0 AEADHN C[C@@H](C(N)=O)N1CCCCC(C)(C)C1 336179998 168326107 /nfs/dbraw/zinc/32/61/07/168326107.db2.gz LQEDVTATEOPLNP-VIFPVBQESA-N 0 3 198.310 2.422 20 0 AEADHN C[C@@H](C(N)=O)N1CC[C@H](C)C(C)(C)C1 336573561 168326583 /nfs/dbraw/zinc/32/65/83/168326583.db2.gz PHJNFCDWPYZDIG-IUCAKERBSA-N 0 3 198.310 2.278 20 0 AEADHN C[C@@H](CF)NC1Cc2ccccc2C1 306148774 168341109 /nfs/dbraw/zinc/34/11/09/168341109.db2.gz BLSXXBLRLDCPEA-VIFPVBQESA-N 0 3 193.265 2.101 20 0 AEADHN C[C@@H](CF)NC1CC(C)(C)C1 306753856 168341485 /nfs/dbraw/zinc/34/14/85/168341485.db2.gz JRYCKSNGJZPNIB-ZETCQYMHSA-N 0 3 159.248 2.123 20 0 AEADHN C[C@@H](CF)NC1CC2(CCC2)C1 334727732 168341814 /nfs/dbraw/zinc/34/18/14/168341814.db2.gz WOGHBECDKUVHHP-QMMMGPOBSA-N 0 3 171.259 2.267 20 0 AEADHN C[C@@H](F)CCN1CCS[C@H](C)C1 307726710 168355438 /nfs/dbraw/zinc/35/54/38/168355438.db2.gz CLDWYIBBFYNSOP-RKDXNWHRSA-N 0 3 191.315 2.172 20 0 AEADHN C[C@@H](F)CCN1CC[C@@](C)(F)C1 306388792 168355480 /nfs/dbraw/zinc/35/54/80/168355480.db2.gz VTIJSIGAWWENIO-RKDXNWHRSA-N 0 3 177.238 2.168 20 0 AEADHN C[C@@H](F)CCN1CCSC[C@H]1C 307213133 168356151 /nfs/dbraw/zinc/35/61/51/168356151.db2.gz WYFJZFKYORHBSQ-RKDXNWHRSA-N 0 3 191.315 2.172 20 0 AEADHN C[C@@H](F)CCN1CC[C@](C)(F)C1 306388789 168356573 /nfs/dbraw/zinc/35/65/73/168356573.db2.gz VTIJSIGAWWENIO-BDAKNGLRSA-N 0 3 177.238 2.168 20 0 AEADHN C[C@@H](N)c1c(F)cc(F)cc1F 19971687 168367484 /nfs/dbraw/zinc/36/74/84/168367484.db2.gz SHTDOEJRDZKMMX-SCSAIBSYSA-N 0 3 175.153 2.124 20 0 AEADHN C[C@@H](N)c1cc(C(F)(F)F)ccn1 95714953 168370629 /nfs/dbraw/zinc/37/06/29/168370629.db2.gz CHQOZJPSZZECLU-RXMQYKEDSA-N 0 3 190.168 2.120 20 0 AEADHN C[C@@H](N)c1cc2cnccc2s1 82397683 168371139 /nfs/dbraw/zinc/37/11/39/168371139.db2.gz IACFOQZPNKYZPY-ZCFIWIBFSA-N 0 3 178.260 2.316 20 0 AEADHN C[C@@H](N)c1nc(-c2cccs2)c[nH]1 36872315 168372220 /nfs/dbraw/zinc/37/22/20/168372220.db2.gz RFQVVAYHGAEIQM-ZCFIWIBFSA-N 0 3 193.275 2.158 20 0 AEADHN C[C@@H](NC1CCCC1)c1ccn(C)n1 334792404 168378288 /nfs/dbraw/zinc/37/82/88/168378288.db2.gz NQPUFUDOJIUTJV-SECBINFHSA-N 0 3 193.294 2.013 20 0 AEADHN C[C@@H](NC1CCC1)c1ccncc1F 306472661 168378516 /nfs/dbraw/zinc/37/85/16/168378516.db2.gz TVTNKYVTTQLEEB-MRVPVSSYSA-N 0 3 194.253 2.424 20 0 AEADHN C[C@@H](NC1CCC1)c1ccco1 44480659 168378811 /nfs/dbraw/zinc/37/88/11/168378811.db2.gz FQQVOPLLYOQMDP-MRVPVSSYSA-N 0 3 165.236 2.483 20 0 AEADHN C[C@@H](NC1CCCCC1)c1ncc[nH]1 124688127 168378878 /nfs/dbraw/zinc/37/88/78/168378878.db2.gz KLCWRTMOKRFXTF-SECBINFHSA-N 0 3 193.294 2.393 20 0 AEADHN C[C@@H](NCC(C)(C)O)c1ccsc1 61362693 168379266 /nfs/dbraw/zinc/37/92/66/168379266.db2.gz RODKXNIWLIEYQZ-MRVPVSSYSA-N 0 3 199.319 2.170 20 0 AEADHN C[C@@H](NC1CCCC1)c1ncc[nH]1 124711618 168379323 /nfs/dbraw/zinc/37/93/23/168379323.db2.gz CEEPQWSQVLCNNF-MRVPVSSYSA-N 0 3 179.267 2.003 20 0 AEADHN C[C@@H](NC1CCOCC1)c1ccco1 36304703 168379384 /nfs/dbraw/zinc/37/93/84/168379384.db2.gz YLCKNRPTRGZZAL-SECBINFHSA-N 0 3 195.262 2.109 20 0 AEADHN C[C@@H](NC1CC1)c1ccncc1F 306383260 168379435 /nfs/dbraw/zinc/37/94/35/168379435.db2.gz BVLZFKQOHSENCG-SSDOTTSWSA-N 0 3 180.226 2.034 20 0 AEADHN C[C@@H](NC1CC1)c1cccc(O)c1 22149465 168379719 /nfs/dbraw/zinc/37/97/19/168379719.db2.gz SBSBASDUFOSLAB-MRVPVSSYSA-N 0 3 177.247 2.205 20 0 AEADHN C[C@@H](NC1CCCC1)c1ccncn1 307545583 168379818 /nfs/dbraw/zinc/37/98/18/168379818.db2.gz KAZWYDZQVICVHT-SECBINFHSA-N 0 3 191.278 2.070 20 0 AEADHN C[C@@H](NCC1CC1)c1ccco1 19884835 168381838 /nfs/dbraw/zinc/38/18/38/168381838.db2.gz CPCVNNQLQYDONR-MRVPVSSYSA-N 0 3 165.236 2.340 20 0 AEADHN C[C@@H](NCC1CC1)c1ccccn1 19884802 168382333 /nfs/dbraw/zinc/38/23/33/168382333.db2.gz RNSIJOYBGOREED-SECBINFHSA-N 0 3 176.263 2.142 20 0 AEADHN C[C@@H](NCc1cscn1)C1CC1 40421109 168383558 /nfs/dbraw/zinc/38/35/58/168383558.db2.gz AFLVCUBFRKBNAG-SSDOTTSWSA-N 0 3 182.292 2.031 20 0 AEADHN C[C@@H](NCc1cncs1)C1CC1 54770524 168383628 /nfs/dbraw/zinc/38/36/28/168383628.db2.gz IJVWSSGZXOYLAM-SSDOTTSWSA-N 0 3 182.292 2.031 20 0 AEADHN C[C@@H](NCc1ccco1)C1CC1 21955752 168383961 /nfs/dbraw/zinc/38/39/61/168383961.db2.gz IUYDQGJNDFVKBL-MRVPVSSYSA-N 0 3 165.236 2.168 20 0 AEADHN C[C@@H](N[C@@H]1CCC1(C)C)c1ncc[nH]1 306244353 168384175 /nfs/dbraw/zinc/38/41/75/168384175.db2.gz UGZOUBXTFNRWST-RKDXNWHRSA-N 0 3 193.294 2.249 20 0 AEADHN C[C@@H](N[C@@H]1CC=CCC1)c1ncc[nH]1 306172554 168384219 /nfs/dbraw/zinc/38/42/19/168384219.db2.gz BFRNPRCQCWXSGQ-NXEZZACHSA-N 0 3 191.278 2.169 20 0 AEADHN C[C@@H](NCc1nccs1)C1CC1 41011756 168384328 /nfs/dbraw/zinc/38/43/28/168384328.db2.gz ODKRIWXJERSIMT-SSDOTTSWSA-N 0 3 182.292 2.031 20 0 AEADHN C[C@@H](NC[C@H]1CCCO1)c1ccco1 19963594 168384352 /nfs/dbraw/zinc/38/43/52/168384352.db2.gz SBGRPHFBZRNBLY-NXEZZACHSA-N 0 3 195.262 2.109 20 0 AEADHN C[C@@H](NC[C@@H]1CCCO1)c1ccco1 19963592 168384563 /nfs/dbraw/zinc/38/45/63/168384563.db2.gz SBGRPHFBZRNBLY-ZJUUUORDSA-N 0 3 195.262 2.109 20 0 AEADHN C[C@@H](N[C@@H]1CCSC1)c1ccco1 35136941 168385087 /nfs/dbraw/zinc/38/50/87/168385087.db2.gz TVYPUGCZGZRDKQ-RKDXNWHRSA-N 0 3 197.303 2.436 20 0 AEADHN C[C@@H](N[C@H]1CCSC1)c1ccco1 35136944 168385248 /nfs/dbraw/zinc/38/52/48/168385248.db2.gz TVYPUGCZGZRDKQ-BDAKNGLRSA-N 0 3 197.303 2.436 20 0 AEADHN C[C@@H](N[C@H]1CC=CCC1)c1ncc[nH]1 306172565 168386089 /nfs/dbraw/zinc/38/60/89/168386089.db2.gz BFRNPRCQCWXSGQ-ZJUUUORDSA-N 0 3 191.278 2.169 20 0 AEADHN C[C@@H](N[C@H]1CCC1(C)C)c1ncc[nH]1 306244350 168386424 /nfs/dbraw/zinc/38/64/24/168386424.db2.gz UGZOUBXTFNRWST-BDAKNGLRSA-N 0 3 193.294 2.249 20 0 AEADHN C[C@@H]1CSC[C@@H]1NCc1ccco1 307505651 168461923 /nfs/dbraw/zinc/46/19/23/168461923.db2.gz LDZAQDVIIVELRS-SCZZXKLOSA-N 0 3 197.303 2.121 20 0 AEADHN C[C@@H]1C[C@@H](NCc2cccs2)CO1 335426369 168467305 /nfs/dbraw/zinc/46/73/05/168467305.db2.gz UVFQQTGSRCFUSK-RKDXNWHRSA-N 0 3 197.303 2.015 20 0 AEADHN C[C@@H]1C[C@H](NCc2cccs2)CO1 335426366 168473458 /nfs/dbraw/zinc/47/34/58/168473458.db2.gz UVFQQTGSRCFUSK-BDAKNGLRSA-N 0 3 197.303 2.015 20 0 AEADHN C[C@H](C(N)=O)N1CC[C@@H](C)C(C)(C)C1 336573562 168512465 /nfs/dbraw/zinc/51/24/65/168512465.db2.gz PHJNFCDWPYZDIG-RKDXNWHRSA-N 0 3 198.310 2.278 20 0 AEADHN C[C@H](NC1CCC1)c1ccncc1F 306472663 168563812 /nfs/dbraw/zinc/56/38/12/168563812.db2.gz TVTNKYVTTQLEEB-QMMMGPOBSA-N 0 3 194.253 2.424 20 0 AEADHN C[C@H](NC1CCOCC1)c1ccco1 36304701 168565056 /nfs/dbraw/zinc/56/50/56/168565056.db2.gz YLCKNRPTRGZZAL-VIFPVBQESA-N 0 3 195.262 2.109 20 0 AEADHN C[C@H](NCc1cncs1)C1CC1 54770523 168569649 /nfs/dbraw/zinc/56/96/49/168569649.db2.gz IJVWSSGZXOYLAM-ZETCQYMHSA-N 0 3 182.292 2.031 20 0 AEADHN C[C@H]1CCCC[C@@H]1N1CCC(=O)CC1 19519190 168602030 /nfs/dbraw/zinc/60/20/30/168602030.db2.gz NFECKELWIGFNAJ-JQWIXIFHSA-N 0 3 195.306 2.230 20 0 AEADHN C[C@H]1C[C@H](NCc2cccs2)CO1 335426368 168660849 /nfs/dbraw/zinc/66/08/49/168660849.db2.gz UVFQQTGSRCFUSK-IUCAKERBSA-N 0 3 197.303 2.015 20 0 AEADHN C[C@H]1OCC[C@@H]1NCc1cccs1 96033529 168671971 /nfs/dbraw/zinc/67/19/71/168671971.db2.gz LECGCRTZNBFTGO-SCZZXKLOSA-N 0 3 197.303 2.015 20 0 AEADHN Cc1cc(CN)nc2ccccc12 82633868 168755091 /nfs/dbraw/zinc/75/50/91/168755091.db2.gz FBSWGUXPHOSZAC-UHFFFAOYSA-N 0 3 172.231 2.002 20 0 AEADHN Cc1cc(CN[C@@H]2CCC2(C)C)on1 307390364 168756147 /nfs/dbraw/zinc/75/61/47/168756147.db2.gz SHWZMRXBPCSHNB-SNVBAGLBSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1cc(CN[C@H]2CC[C@@H](C)C2)no1 70643742 168756977 /nfs/dbraw/zinc/75/69/77/168756977.db2.gz OTHRLPISURJKBS-SCZZXKLOSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ccc(Cl)c2c1[C@H](N)CCO2 36985144 168817005 /nfs/dbraw/zinc/81/70/05/168817005.db2.gz VZKPVKMUMYOISJ-MRVPVSSYSA-N 0 3 197.665 2.431 20 0 AEADHN Cc1ccc([C@@H](C)NCC[C@H](C)O)o1 82994013 168835472 /nfs/dbraw/zinc/83/54/72/168835472.db2.gz MUZQQLYKHKWAGM-WCBMZHEXSA-N 0 3 197.278 2.010 20 0 AEADHN Cc1ccnc([C@@H](C)NC2CC2)c1 306784396 168889177 /nfs/dbraw/zinc/88/91/77/168889177.db2.gz HYFBZPKTDHVFDL-SECBINFHSA-N 0 3 176.263 2.203 20 0 AEADHN Cc1cnc(CNC2CCCC2)s1 22862764 168901806 /nfs/dbraw/zinc/90/18/06/168901806.db2.gz CYSSSNNXKOUMLK-UHFFFAOYSA-N 0 3 196.319 2.484 20 0 AEADHN Cc1csc(CN[C@@H]2CC[C@@H]2C)n1 306149431 168920503 /nfs/dbraw/zinc/92/05/03/168920503.db2.gz DHMBSOZLGIEVOO-IONNQARKSA-N 0 3 196.319 2.340 20 0 AEADHN Cc1csc(CN[C@@H]2CC[C@H]2C)n1 306149438 168920519 /nfs/dbraw/zinc/92/05/19/168920519.db2.gz DHMBSOZLGIEVOO-VXNVDRBHSA-N 0 3 196.319 2.340 20 0 AEADHN Cc1ncc(CN[C@H]2CCC[C@H]2C)o1 306835723 168962943 /nfs/dbraw/zinc/96/29/43/168962943.db2.gz RRXHRVGXXDHTIO-KCJUWKMLSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncc(CN2CC[C@H](C)C2)s1 336631420 168963563 /nfs/dbraw/zinc/96/35/63/168963563.db2.gz LAFIKHYFKKCEAD-QMMMGPOBSA-N 0 3 196.319 2.293 20 0 AEADHN Cc1ncc(CN[C@H]2CCC[C@@H]2C)o1 306835724 168964525 /nfs/dbraw/zinc/96/45/25/168964525.db2.gz RRXHRVGXXDHTIO-KWQFWETISA-N 0 3 194.278 2.261 20 0 AEADHN Cc1noc(C)c1CNC[C@H]1C[C@H]1C 136248133 343978016 /nfs/dbraw/zinc/97/80/16/343978016.db2.gz MEMWHPISKIQXSM-GMSGAONNSA-N 0 3 194.278 2.037 20 0 AEADHN Cc1ccc(CNC[C@@H]2C[C@H]2C)o1 136250255 343978034 /nfs/dbraw/zinc/97/80/34/343978034.db2.gz AMPYWNHNRAKAOO-SCZZXKLOSA-N 0 3 179.263 2.334 20 0 AEADHN Cc1ccc(CNC[C@H]2C[C@@H]2C)o1 136250223 343978036 /nfs/dbraw/zinc/97/80/36/343978036.db2.gz AMPYWNHNRAKAOO-WCBMZHEXSA-N 0 3 179.263 2.334 20 0 AEADHN Cc1nocc1CN[C@H]1CCC[C@H]1C 307323865 169004232 /nfs/dbraw/zinc/00/42/32/169004232.db2.gz HGKHRAZUZGXCJU-KCJUWKMLSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1nocc1CN[C@H]1CC[C@H](C)C1 307654875 169004349 /nfs/dbraw/zinc/00/43/49/169004349.db2.gz WFAIYVMVOQCCQJ-KWQFWETISA-N 0 3 194.278 2.261 20 0 AEADHN Cc1nocc1CN[C@@H]1CCC[C@@H]1C 307323859 169004540 /nfs/dbraw/zinc/00/45/40/169004540.db2.gz HGKHRAZUZGXCJU-GZMMTYOYSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1nocc1CN[C@@H]1CCC[C@H]1C 307323879 169004691 /nfs/dbraw/zinc/00/46/91/169004691.db2.gz HGKHRAZUZGXCJU-LDYMZIIASA-N 0 3 194.278 2.261 20 0 AEADHN Cc1nocc1CN[C@@H]1CC[C@@H](C)C1 307654876 169005005 /nfs/dbraw/zinc/00/50/05/169005005.db2.gz WFAIYVMVOQCCQJ-LDYMZIIASA-N 0 3 194.278 2.261 20 0 AEADHN Cc1nocc1CN[C@@H]1CC[C@H](C)C1 307654873 169005129 /nfs/dbraw/zinc/00/51/29/169005129.db2.gz WFAIYVMVOQCCQJ-GZMMTYOYSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1nocc1CNC1CCCCC1 306371739 169005167 /nfs/dbraw/zinc/00/51/67/169005167.db2.gz MJDDLQYDBQWDOS-UHFFFAOYSA-N 0 3 194.278 2.405 20 0 AEADHN Cc1nocc1CN[C@H]1CC[C@@H](C)C1 307654874 169005243 /nfs/dbraw/zinc/00/52/43/169005243.db2.gz WFAIYVMVOQCCQJ-KCJUWKMLSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1nocc1CN[C@H]1CCC[C@@H]1C 307323872 169005962 /nfs/dbraw/zinc/00/59/62/169005962.db2.gz HGKHRAZUZGXCJU-KWQFWETISA-N 0 3 194.278 2.261 20 0 AEADHN Cc1nocc1CN1CCC[C@H](C)C1 335941259 169006088 /nfs/dbraw/zinc/00/60/88/169006088.db2.gz IKKHDQIBHKWGKX-VIFPVBQESA-N 0 3 194.278 2.215 20 0 AEADHN Cc1occc1CNC1CC(C)C1 307329403 169010424 /nfs/dbraw/zinc/01/04/24/169010424.db2.gz WXZNHNXABVTTFS-UHFFFAOYSA-N 0 3 179.263 2.476 20 0 AEADHN Cc1occc1CN(C)C(C)C 336553097 169010459 /nfs/dbraw/zinc/01/04/59/169010459.db2.gz QIDMITNGCJKTHB-UHFFFAOYSA-N 0 3 167.252 2.428 20 0 AEADHN Cc1occc1CN[C@@H]1CCSC1 307083221 169010491 /nfs/dbraw/zinc/01/04/91/169010491.db2.gz KFLSGJTUJPYYLO-SNVBAGLBSA-N 0 3 197.303 2.183 20 0 AEADHN Cc1occc1CNC(C)(C)C 37927169 169010944 /nfs/dbraw/zinc/01/09/44/169010944.db2.gz DBACHLPOCQXQFE-UHFFFAOYSA-N 0 3 167.252 2.476 20 0 AEADHN Cc1occc1CN(C)C1CC1 334853907 169011023 /nfs/dbraw/zinc/01/10/23/169011023.db2.gz ADLZYYSKUNIUBQ-UHFFFAOYSA-N 0 3 165.236 2.182 20 0 AEADHN Cc1occc1CNC(C)C 36947918 169011093 /nfs/dbraw/zinc/01/10/93/169011093.db2.gz QEMZCUVPHADOHM-UHFFFAOYSA-N 0 3 153.225 2.086 20 0 AEADHN Cc1occc1CN[C@H]1CCSC1 307083218 169012112 /nfs/dbraw/zinc/01/21/12/169012112.db2.gz KFLSGJTUJPYYLO-JTQLQIEISA-N 0 3 197.303 2.183 20 0 AEADHN Cc1occc1CN1CCCC1 334842242 169012189 /nfs/dbraw/zinc/01/21/89/169012189.db2.gz ITQAIYWTLUBJOB-UHFFFAOYSA-N 0 3 165.236 2.184 20 0 AEADHN Cc1oncc1CN1CCCC[C@@H]1C 334643385 169012646 /nfs/dbraw/zinc/01/26/46/169012646.db2.gz CMPCCSIOJLYFNZ-VIFPVBQESA-N 0 3 194.278 2.357 20 0 AEADHN Cc1oncc1CN1[C@H](C)CC[C@H]1C 335874035 169012674 /nfs/dbraw/zinc/01/26/74/169012674.db2.gz YYOLKWDIPUTHKT-RKDXNWHRSA-N 0 3 194.278 2.356 20 0 AEADHN Cc1oncc1CN1[C@@H](C)CC[C@H]1C 335874032 169012807 /nfs/dbraw/zinc/01/28/07/169012807.db2.gz YYOLKWDIPUTHKT-DTORHVGOSA-N 0 3 194.278 2.356 20 0 AEADHN Cc1ccc(CNC[C@@H]2C[C@@H]2C)o1 136250182 343978081 /nfs/dbraw/zinc/97/80/81/343978081.db2.gz AMPYWNHNRAKAOO-WPRPVWTQSA-N 0 3 179.263 2.334 20 0 AEADHN Cc1oncc1CN1C[C@@H](C)C[C@H]1C 335739913 169013036 /nfs/dbraw/zinc/01/30/36/169013036.db2.gz NCLDEIOXXIWMKK-DTWKUNHWSA-N 0 3 194.278 2.213 20 0 AEADHN Cc1oncc1CN1CCC(C)CC1 335189515 169013098 /nfs/dbraw/zinc/01/30/98/169013098.db2.gz JEZSWESAYUWSKA-UHFFFAOYSA-N 0 3 194.278 2.215 20 0 AEADHN Cc1oncc1CN1CCC(C)(C)C1 336254566 169013219 /nfs/dbraw/zinc/01/32/19/169013219.db2.gz SMIHUIPMFNMCPL-UHFFFAOYSA-N 0 3 194.278 2.215 20 0 AEADHN Cc1oncc1CN1CCCC[C@H]1C 334643381 169013246 /nfs/dbraw/zinc/01/32/46/169013246.db2.gz CMPCCSIOJLYFNZ-SECBINFHSA-N 0 3 194.278 2.357 20 0 AEADHN Cc1oncc1CN1C[C@H](C)C[C@@H]1C 335739912 169013371 /nfs/dbraw/zinc/01/33/71/169013371.db2.gz NCLDEIOXXIWMKK-BDAKNGLRSA-N 0 3 194.278 2.213 20 0 AEADHN Cc1oncc1CN1C[C@@H](C)[C@H](C)C1 335846269 169013436 /nfs/dbraw/zinc/01/34/36/169013436.db2.gz YWLUVCWQTBYPMZ-RKDXNWHRSA-N 0 3 194.278 2.071 20 0 AEADHN Cc1oncc1CN1C[C@@H](C)[C@@H](C)C1 335846265 169013448 /nfs/dbraw/zinc/01/34/48/169013448.db2.gz YWLUVCWQTBYPMZ-DTORHVGOSA-N 0 3 194.278 2.071 20 0 AEADHN Cc1oncc1CN1CCC[C@@H](C)C1 335190136 169013469 /nfs/dbraw/zinc/01/34/69/169013469.db2.gz UOIWHSPGYUJGKO-SECBINFHSA-N 0 3 194.278 2.215 20 0 AEADHN Cc1oncc1CN(C)C1CCCC1 336215207 169013521 /nfs/dbraw/zinc/01/35/21/169013521.db2.gz GRGLYYUPSNTTTO-UHFFFAOYSA-N 0 3 194.278 2.357 20 0 AEADHN Cc1oncc1CN1[C@@H](C)CC[C@@H]1C 335874034 169013607 /nfs/dbraw/zinc/01/36/07/169013607.db2.gz YYOLKWDIPUTHKT-IUCAKERBSA-N 0 3 194.278 2.356 20 0 AEADHN Cc1oncc1CN1C[C@H](C)C[C@H]1C 335739916 169013704 /nfs/dbraw/zinc/01/37/04/169013704.db2.gz NCLDEIOXXIWMKK-RKDXNWHRSA-N 0 3 194.278 2.213 20 0 AEADHN Cc1oncc1CN1C[C@@H](C)C[C@@H]1C 335739914 169013717 /nfs/dbraw/zinc/01/37/17/169013717.db2.gz NCLDEIOXXIWMKK-IUCAKERBSA-N 0 3 194.278 2.213 20 0 AEADHN Cc1oncc1CN1C[C@H](C)[C@@H](C)C1 335846267 169013780 /nfs/dbraw/zinc/01/37/80/169013780.db2.gz YWLUVCWQTBYPMZ-IUCAKERBSA-N 0 3 194.278 2.071 20 0 AEADHN Cc1oncc1CN1CCC[C@H](C)C1 335190144 169013898 /nfs/dbraw/zinc/01/38/98/169013898.db2.gz UOIWHSPGYUJGKO-VIFPVBQESA-N 0 3 194.278 2.215 20 0 AEADHN Cc1oncc1CN1CCCCCC1 334760386 169013912 /nfs/dbraw/zinc/01/39/12/169013912.db2.gz CVCPSMGWTKHSNH-UHFFFAOYSA-N 0 3 194.278 2.359 20 0 AEADHN Cc1ccc(CNC[C@H]2C[C@H]2C)o1 136250297 343978087 /nfs/dbraw/zinc/97/80/87/343978087.db2.gz AMPYWNHNRAKAOO-PSASIEDQSA-N 0 3 179.263 2.334 20 0 AEADHN Cc1sc([C@H](C)N)nc1C1CC1 300826751 169014934 /nfs/dbraw/zinc/01/49/34/169014934.db2.gz ZZGDMAQEVOMEOD-YFKPBYRVSA-N 0 3 182.292 2.349 20 0 AEADHN Cc1sccc1CNC1CC1 227790034 169016765 /nfs/dbraw/zinc/01/67/65/169016765.db2.gz IZUJCZHRTDHVMX-UHFFFAOYSA-N 0 3 167.277 2.309 20 0 AEADHN Clc1ccc(CNCC2CC2)o1 37502536 169023352 /nfs/dbraw/zinc/02/33/52/169023352.db2.gz ATSNGZYZRYTOQB-UHFFFAOYSA-N 0 3 185.654 2.433 20 0 AEADHN Clc1ccc(CNC2CC2)o1 37487006 169023734 /nfs/dbraw/zinc/02/37/34/169023734.db2.gz QFIKXDUNCGUTKU-UHFFFAOYSA-N 0 3 171.627 2.185 20 0 AEADHN Cn1ccc(CN[C@H]2C=CCCC2)c1 127287727 169044231 /nfs/dbraw/zinc/04/42/31/169044231.db2.gz LEQARGISXFTGHQ-LBPRGKRZSA-N 0 3 190.290 2.223 20 0 AEADHN Cn1ccc(CNC2CC(C)(F)C2)c1 335372957 169044455 /nfs/dbraw/zinc/04/44/55/169044455.db2.gz DTSRAYFLVXBMIE-UHFFFAOYSA-N 0 3 196.269 2.005 20 0 AEADHN Cn1ccc(CN[C@@H]2C=CCCC2)c1 127287977 169044932 /nfs/dbraw/zinc/04/49/32/169044932.db2.gz LEQARGISXFTGHQ-GFCCVEGCSA-N 0 3 190.290 2.223 20 0 AEADHN Cn1ccc(CN2CCC23CCC3)c1 334908128 169045380 /nfs/dbraw/zinc/04/53/80/169045380.db2.gz GLUBGTFUHMFBPP-UHFFFAOYSA-N 0 3 190.290 2.154 20 0 AEADHN Cn1ccc(CN[C@@H]2CCC[C@@H]2F)c1 307686552 169045707 /nfs/dbraw/zinc/04/57/07/169045707.db2.gz CZJWUPLVATZRCW-WDEREUQCSA-N 0 3 196.269 2.005 20 0 AEADHN Cn1ccc(CN[C@H]2CCC[C@H]2F)c1 306761813 169047031 /nfs/dbraw/zinc/04/70/31/169047031.db2.gz CZJWUPLVATZRCW-MNOVXSKESA-N 0 3 196.269 2.005 20 0 AEADHN Cn1cccc1CN[C@H]1CCC[C@H]1F 306427631 169049097 /nfs/dbraw/zinc/04/90/97/169049097.db2.gz JFBVXAUNCQDHOS-MNOVXSKESA-N 0 3 196.269 2.005 20 0 AEADHN Cn1cccc1CNC1CC(C)(F)C1 335376132 169049713 /nfs/dbraw/zinc/04/97/13/169049713.db2.gz RPJCSKAHMSMAAN-UHFFFAOYSA-N 0 3 196.269 2.005 20 0 AEADHN Cn1cccc1CN[C@@H]1CCC[C@@H]1F 306656711 169049865 /nfs/dbraw/zinc/04/98/65/169049865.db2.gz JFBVXAUNCQDHOS-WDEREUQCSA-N 0 3 196.269 2.005 20 0 AEADHN Cn1cccc1CN1CCC12CCC2 335797197 169050557 /nfs/dbraw/zinc/05/05/57/169050557.db2.gz OGDQIKOIZNQMAJ-UHFFFAOYSA-N 0 3 190.290 2.154 20 0 AEADHN Cn1ccnc1NCc1ccccc1 8699318 169053191 /nfs/dbraw/zinc/05/31/91/169053191.db2.gz DCKJXXDDGZCDFS-UHFFFAOYSA-N 0 3 187.246 2.032 20 0 AEADHN Cn1ccnc1[C@H](N)CCC(C)(C)C 122369928 169053930 /nfs/dbraw/zinc/05/39/30/169053930.db2.gz NGJSJHDBVNNHGE-SECBINFHSA-N 0 3 195.310 2.246 20 0 in-vitro AEADHN Cn1ccnc1[C@@H](N)CCC(C)(C)C 122369711 169054176 /nfs/dbraw/zinc/05/41/76/169054176.db2.gz NGJSJHDBVNNHGE-VIFPVBQESA-N 0 3 195.310 2.246 20 0 in-vitro AEADHN FC1=CCCN(C2CCCC2)C1 335630043 169075748 /nfs/dbraw/zinc/07/57/48/169075748.db2.gz XJAWQVNFBMPCKO-UHFFFAOYSA-N 0 3 169.243 2.488 20 0 AEADHN FCC1CCN(Cc2ccco2)CC1 336208887 169077757 /nfs/dbraw/zinc/07/77/57/169077757.db2.gz YPQMNIPCCSVNMF-UHFFFAOYSA-N 0 3 197.253 2.461 20 0 AEADHN FCCN[C@H]1CCC12CCCC2 307171935 169077996 /nfs/dbraw/zinc/07/79/96/169077996.db2.gz HJEXHSNUZGUUFJ-VIFPVBQESA-N 0 3 171.259 2.268 20 0 AEADHN FCCCN1CCc2ccccc2C1 335804843 169078130 /nfs/dbraw/zinc/07/81/30/169078130.db2.gz UJSKOBUGUBCDST-UHFFFAOYSA-N 0 3 193.265 2.404 20 0 AEADHN FCCCN1Cc2ccccc2C1 307193419 169078896 /nfs/dbraw/zinc/07/88/96/169078896.db2.gz NURHCAZZHVMFTC-UHFFFAOYSA-N 0 3 179.238 2.362 20 0 AEADHN FCCCN1CCCc2occc2C1 335993494 169079070 /nfs/dbraw/zinc/07/90/70/169079070.db2.gz MAZATGVBVJRCGP-UHFFFAOYSA-N 0 3 197.253 2.387 20 0 AEADHN FCCN[C@@H]1CCC12CCCC2 307171933 169079230 /nfs/dbraw/zinc/07/92/30/169079230.db2.gz HJEXHSNUZGUUFJ-SECBINFHSA-N 0 3 171.259 2.268 20 0 AEADHN F[C@H]1CCN(C[C@@H]2CC=CCC2)C1 335405456 169080309 /nfs/dbraw/zinc/08/03/09/169080309.db2.gz AIQLFRPTWUQRHW-MNOVXSKESA-N 0 3 183.270 2.387 20 0 AEADHN F[C@H]1CCN(C[C@H]2CC=CCC2)C1 335405457 169080396 /nfs/dbraw/zinc/08/03/96/169080396.db2.gz AIQLFRPTWUQRHW-QWRGUYRKSA-N 0 3 183.270 2.387 20 0 AEADHN F[C@H]1CCN([C@@H]2C=CCCC2)C1 334700410 169080467 /nfs/dbraw/zinc/08/04/67/169080467.db2.gz IHXUGJKIQOPODY-VHSXEESVSA-N 0 3 169.243 2.139 20 0 AEADHN F[C@H]1CC[C@H](NCc2ccco2)C1 306385230 169080656 /nfs/dbraw/zinc/08/06/56/169080656.db2.gz RJXNXFMVXILAMV-IUCAKERBSA-N 0 3 183.226 2.260 20 0 AEADHN F[C@H]1CC[C@H](NCc2cccnc2)C1 306768477 169080681 /nfs/dbraw/zinc/08/06/81/169080681.db2.gz ZAOXCGVDFPCCAR-QWRGUYRKSA-N 0 3 194.253 2.062 20 0 AEADHN F[C@H]1CCN(CCc2ccccc2)C1 335405558 169080696 /nfs/dbraw/zinc/08/06/96/169080696.db2.gz DJZHYGHACVBYGD-LBPRGKRZSA-N 0 3 193.265 2.273 20 0 AEADHN F[C@H]1CCN([C@H]2C=CCCC2)C1 334700408 169080750 /nfs/dbraw/zinc/08/07/50/169080750.db2.gz IHXUGJKIQOPODY-UWVGGRQHSA-N 0 3 169.243 2.139 20 0 AEADHN F[C@H]1CC[C@@H](NCc2ccco2)C1 306385227 169080847 /nfs/dbraw/zinc/08/08/47/169080847.db2.gz RJXNXFMVXILAMV-DTWKUNHWSA-N 0 3 183.226 2.260 20 0 AEADHN F[C@H]1CC[C@@H](NCc2cccnc2)C1 306768478 169080857 /nfs/dbraw/zinc/08/08/57/169080857.db2.gz ZAOXCGVDFPCCAR-WDEREUQCSA-N 0 3 194.253 2.062 20 0 AEADHN Fc1ccc(F)c(CNCC2CC2)c1 37228237 169082499 /nfs/dbraw/zinc/08/24/99/169082499.db2.gz MNIQUOUTPUDLNP-UHFFFAOYSA-N 0 3 197.228 2.464 20 0 AEADHN Fc1ccc(CNCC2CC2)c(F)c1 19884609 169082617 /nfs/dbraw/zinc/08/26/17/169082617.db2.gz PFRKBGKODRLOLO-UHFFFAOYSA-N 0 3 197.228 2.464 20 0 AEADHN Fc1ccc(CNC2CSC2)cc1 76637259 169083267 /nfs/dbraw/zinc/08/32/67/169083267.db2.gz NOEQWUZVARAXDJ-UHFFFAOYSA-N 0 3 197.278 2.031 20 0 AEADHN Fc1cccc(CNC2CSC2)c1 76637261 169085853 /nfs/dbraw/zinc/08/58/53/169085853.db2.gz IXHOEYFWEPUKBR-UHFFFAOYSA-N 0 3 197.278 2.031 20 0 AEADHN Fc1cccc(F)c1CNCC1CC1 19884640 169085925 /nfs/dbraw/zinc/08/59/25/169085925.db2.gz UDVYOYJYRXVZSN-UHFFFAOYSA-N 0 3 197.228 2.464 20 0 AEADHN Fc1cccc(CNCC2CC2)c1F 36888489 169086193 /nfs/dbraw/zinc/08/61/93/169086193.db2.gz QHQZUCQKKZQLNH-UHFFFAOYSA-N 0 3 197.228 2.464 20 0 AEADHN C[C@@H](CNCc1cscn1)C1CC1 136209053 343977612 /nfs/dbraw/zinc/97/76/12/343977612.db2.gz BBMGJFGCNRYXIN-QMMMGPOBSA-N 0 3 196.319 2.279 20 0 AEADHN N=C(N)c1cc(-c2ccccc2)ccn1 71186706 169140269 /nfs/dbraw/zinc/14/02/69/169140269.db2.gz FJXLIMIPODODNI-UHFFFAOYSA-N 0 3 197.241 2.033 20 0 AEADHN N=C(N)c1ncccc1-c1ccccc1 71186705 169140652 /nfs/dbraw/zinc/14/06/52/169140652.db2.gz KFNDKOINDBKBDU-UHFFFAOYSA-N 0 3 197.241 2.033 20 0 AEADHN NC(=O)[C@H]1CCCCN1CC1CCC1 334325878 169142352 /nfs/dbraw/zinc/14/23/52/169142352.db2.gz BDSGLUILWYWHNB-SNVBAGLBSA-N 0 3 196.294 2.176 20 0 AEADHN NC(=O)[C@@H]1CCCN1[C@@H]1C=CCCC1 334292520 169142410 /nfs/dbraw/zinc/14/24/10/169142410.db2.gz NUOAMYCQMRIDSO-ZJUUUORDSA-N 0 3 194.278 2.095 20 0 AEADHN NC(=O)CN1CC[C@H](C2CCCC2)C1 335493781 169142643 /nfs/dbraw/zinc/14/26/43/169142643.db2.gz FXZDLGOCYBFVDS-JTQLQIEISA-N 0 3 196.294 2.034 20 0 AEADHN NC(=O)CCN1CC2(CCCCC2)C1 336003991 169142729 /nfs/dbraw/zinc/14/27/29/169142729.db2.gz IIKBOKBGBOCBRV-UHFFFAOYSA-N 0 3 196.294 2.178 20 0 AEADHN NC(=O)CN1CCCC2(CCCC2)C1 335685674 169142743 /nfs/dbraw/zinc/14/27/43/169142743.db2.gz LKXNJWAYXRWEBD-UHFFFAOYSA-N 0 3 196.294 2.178 20 0 AEADHN NC(=O)[C@H]1CCCN1[C@@H]1C=CCCC1 334292517 169143064 /nfs/dbraw/zinc/14/30/64/169143064.db2.gz NUOAMYCQMRIDSO-NXEZZACHSA-N 0 3 194.278 2.095 20 0 AEADHN NC(=O)[C@H]1CCCN1[C@H]1C=CCCC1 334292519 169143080 /nfs/dbraw/zinc/14/30/80/169143080.db2.gz NUOAMYCQMRIDSO-VHSXEESVSA-N 0 3 194.278 2.095 20 0 AEADHN NC(=O)[C@@H]1CCCCN1CC1CCC1 334325873 169143165 /nfs/dbraw/zinc/14/31/65/169143165.db2.gz BDSGLUILWYWHNB-JTQLQIEISA-N 0 3 196.294 2.176 20 0 AEADHN NC(=O)CN1CC[C@@H](C2CCCC2)C1 335493782 169143318 /nfs/dbraw/zinc/14/33/18/169143318.db2.gz FXZDLGOCYBFVDS-SNVBAGLBSA-N 0 3 196.294 2.034 20 0 AEADHN NC(=O)[C@@H]1CCCN1[C@H]1C=CCCC1 334292518 169143828 /nfs/dbraw/zinc/14/38/28/169143828.db2.gz NUOAMYCQMRIDSO-UWVGGRQHSA-N 0 3 194.278 2.095 20 0 AEADHN NCc1cc(-c2ccncc2)cs1 70601101 169218877 /nfs/dbraw/zinc/21/88/77/169218877.db2.gz QFBLBKHLWUFBRW-UHFFFAOYSA-N 0 3 190.271 2.269 20 0 AEADHN NCc1cc(-c2cccnc2)cs1 70601077 169219290 /nfs/dbraw/zinc/21/92/90/169219290.db2.gz OPWFQORWDPLYAY-UHFFFAOYSA-N 0 3 190.271 2.269 20 0 AEADHN NCc1cc(C2CC2)cs1 70601118 169219450 /nfs/dbraw/zinc/21/94/50/169219450.db2.gz RQCKTRIMYQQUOJ-UHFFFAOYSA-N 0 3 153.250 2.084 20 0 AEADHN NCc1cc2cccc(Cl)c2[nH]1 82452106 169220898 /nfs/dbraw/zinc/22/08/98/169220898.db2.gz PUOPPNXAHWOFPR-UHFFFAOYSA-N 0 3 180.638 2.280 20 0 AEADHN NCc1ccc(-c2ccco2)s1 70601151 169222043 /nfs/dbraw/zinc/22/20/43/169222043.db2.gz ZVNJMKKMMYZIMM-UHFFFAOYSA-N 0 3 179.244 2.467 20 0 AEADHN NCc1ccc(-c2ccsc2)nc1 96034681 169222247 /nfs/dbraw/zinc/22/22/47/169222247.db2.gz KJQAHBRYXFRMHD-UHFFFAOYSA-N 0 3 190.271 2.269 20 0 AEADHN NCc1cncc(-c2cccs2)c1 82636493 169226713 /nfs/dbraw/zinc/22/67/13/169226713.db2.gz QPCNANIYYCAHEK-UHFFFAOYSA-N 0 3 190.271 2.269 20 0 AEADHN NCc1cncc(-c2ccsc2)c1 91351665 169226736 /nfs/dbraw/zinc/22/67/36/169226736.db2.gz NFDCSADFHCSLRX-UHFFFAOYSA-N 0 3 190.271 2.269 20 0 AEADHN NCc1csc(-c2ccsc2)n1 40419408 169228115 /nfs/dbraw/zinc/22/81/15/169228115.db2.gz CGCRNKUACCBAPB-UHFFFAOYSA-N 0 3 196.300 2.330 20 0 AEADHN NCc1csc2c1CCCCC2 82635221 169228520 /nfs/dbraw/zinc/22/85/20/169228520.db2.gz FVOXKVBDAKEHTO-UHFFFAOYSA-N 0 3 181.304 2.476 20 0 AEADHN NCc1coc2ccc(F)cc12 82304134 169229469 /nfs/dbraw/zinc/22/94/69/169229469.db2.gz IPSVCIJNUZTGBX-UHFFFAOYSA-N 0 3 165.167 2.031 20 0 AEADHN N[C@@H](COC=C(F)F)c1ccccc1 68576587 169245933 /nfs/dbraw/zinc/24/59/33/169245933.db2.gz QWAORMIIRAEZGH-VIFPVBQESA-N 0 3 199.200 2.441 20 0 AEADHN N[C@@H](c1ccco1)C1CCCC1 43607139 169248904 /nfs/dbraw/zinc/24/89/04/169248904.db2.gz UUMGXAOISMYMPW-SNVBAGLBSA-N 0 3 165.236 2.470 20 0 AEADHN N[C@@H](c1ccco1)C1CCC1 43607135 169249460 /nfs/dbraw/zinc/24/94/60/169249460.db2.gz YBUKTUHQDKFMPA-SECBINFHSA-N 0 3 151.209 2.080 20 0 AEADHN N[C@@H]1CSCc2c(F)cccc21 95829457 169257400 /nfs/dbraw/zinc/25/74/00/169257400.db2.gz IUURQKKJXLJMPR-SECBINFHSA-N 0 3 183.251 2.072 20 0 AEADHN N[C@@H]1C[C@@H](C2CC2)Oc2ccccc21 82390883 169257969 /nfs/dbraw/zinc/25/79/69/169257969.db2.gz KZKQOUSLILQLDI-PWSUYJOCSA-N 0 3 189.258 2.248 20 0 AEADHN N[C@@H]1C[C@H](C2CCCCC2)CCC1=O 98095897 169258524 /nfs/dbraw/zinc/25/85/24/169258524.db2.gz GCKPKBPFDIEEFL-GHMZBOCLSA-N 0 3 195.306 2.263 20 0 AEADHN N[C@@H]1C[C@@H](C2CCCCC2)CCC1=O 98095898 169258581 /nfs/dbraw/zinc/25/85/81/169258581.db2.gz GCKPKBPFDIEEFL-WDEREUQCSA-N 0 3 195.306 2.263 20 0 AEADHN N[C@@H]1C[C@H](C2CC2)Oc2ccccc21 82390881 169258855 /nfs/dbraw/zinc/25/88/55/169258855.db2.gz KZKQOUSLILQLDI-ZYHUDNBSSA-N 0 3 189.258 2.248 20 0 AEADHN N[C@H](COC=C(F)F)c1ccccc1 68576585 169268207 /nfs/dbraw/zinc/26/82/07/169268207.db2.gz QWAORMIIRAEZGH-SECBINFHSA-N 0 3 199.200 2.441 20 0 AEADHN N[C@H](c1ccco1)C1CCC1 43607137 169269344 /nfs/dbraw/zinc/26/93/44/169269344.db2.gz YBUKTUHQDKFMPA-VIFPVBQESA-N 0 3 151.209 2.080 20 0 AEADHN N[C@H](c1ccco1)C1CCCC1 43607141 169269745 /nfs/dbraw/zinc/26/97/45/169269745.db2.gz UUMGXAOISMYMPW-JTQLQIEISA-N 0 3 165.236 2.470 20 0 AEADHN N[C@H]1CSCc2c(F)cccc21 95829456 169277296 /nfs/dbraw/zinc/27/72/96/169277296.db2.gz IUURQKKJXLJMPR-VIFPVBQESA-N 0 3 183.251 2.072 20 0 AEADHN N[C@H]1C[C@@H](C2CC2)Oc2ccccc21 82390884 169277718 /nfs/dbraw/zinc/27/77/18/169277718.db2.gz KZKQOUSLILQLDI-JQWIXIFHSA-N 0 3 189.258 2.248 20 0 AEADHN N[C@H]1C[C@H](C2CC2)Oc2ccccc21 82390882 169277973 /nfs/dbraw/zinc/27/79/73/169277973.db2.gz KZKQOUSLILQLDI-CMPLNLGQSA-N 0 3 189.258 2.248 20 0 AEADHN N[C@H]1C[C@H](C2CCCCC2)CCC1=O 98095899 169278374 /nfs/dbraw/zinc/27/83/74/169278374.db2.gz GCKPKBPFDIEEFL-MNOVXSKESA-N 0 3 195.306 2.263 20 0 AEADHN N[C@H]1C[C@@H](C2CCCCC2)CCC1=O 98095900 169278731 /nfs/dbraw/zinc/27/87/31/169278731.db2.gz GCKPKBPFDIEEFL-QWRGUYRKSA-N 0 3 195.306 2.263 20 0 AEADHN Nc1nc(-c2ccc(Cl)s2)c[nH]1 36157271 169305136 /nfs/dbraw/zinc/30/51/36/169305136.db2.gz MPHYDYIYXCILFD-UHFFFAOYSA-N 0 3 199.666 2.374 20 0 in-vitro AEADHN C=Cc1ccccc1CN(C)C 5965045 171018716 /nfs/dbraw/zinc/01/87/16/171018716.db2.gz YVLKCQAGVDGTRH-UHFFFAOYSA-N 0 3 161.248 2.391 20 0 AEADHN c1cc(CN2C3CCC2CC3)ccn1 13474757 171026996 /nfs/dbraw/zinc/02/69/96/171026996.db2.gz SIZDIMUULYVZIP-UHFFFAOYSA-N 0 3 188.274 2.208 20 0 AEADHN c1cncc(CN2C3CCC2CC3)c1 13474753 171027136 /nfs/dbraw/zinc/02/71/36/171027136.db2.gz SCDKHPSUXHBJDJ-UHFFFAOYSA-N 0 3 188.274 2.208 20 0 AEADHN c1ccc(CN2C3CCC2CC3)nc1 13474756 171027280 /nfs/dbraw/zinc/02/72/80/171027280.db2.gz PWCQAYFBMQDYNV-UHFFFAOYSA-N 0 3 188.274 2.208 20 0 AEADHN c1csc(CNC2CCCC2)n1 22862315 171042589 /nfs/dbraw/zinc/04/25/89/171042589.db2.gz YPLJBXDWZHVYEU-UHFFFAOYSA-N 0 3 182.292 2.175 20 0 AEADHN NC1(c2ccccn2)CCCCC1 33487394 171051211 /nfs/dbraw/zinc/05/12/11/171051211.db2.gz WEWZLURFQWFIOK-UHFFFAOYSA-N 0 3 176.263 2.200 20 0 AEADHN CC(C)c1cccc2c1OC[C@H]2N 35654814 171058825 /nfs/dbraw/zinc/05/88/25/171058825.db2.gz LFDJLWXRUOQGOE-SNVBAGLBSA-N 0 3 177.247 2.202 20 0 AEADHN CC(C)c1cccc2c1OC[C@@H]2N 35654812 171059264 /nfs/dbraw/zinc/05/92/64/171059264.db2.gz LFDJLWXRUOQGOE-JTQLQIEISA-N 0 3 177.247 2.202 20 0 AEADHN Nc1ccc2nc3cc[nH]cc-3c2c1 66054846 171104450 /nfs/dbraw/zinc/10/44/50/171104450.db2.gz GGBDWKDZOVZUIP-UHFFFAOYSA-N 0 3 183.214 2.298 20 0 AEADHN NC1(c2ccc(Cl)cc2F)CC1 75934159 171116392 /nfs/dbraw/zinc/11/63/92/171116392.db2.gz MIOAWDZKXBHHLC-UHFFFAOYSA-N 0 3 185.629 2.427 20 0 AEADHN Fc1c(Cl)ccc2c1CCNC2 95835717 171139920 /nfs/dbraw/zinc/13/99/20/171139920.db2.gz QJPSJQNDPZAPSO-UHFFFAOYSA-N 0 3 185.629 2.125 20 0 AEADHN c1cc(CN2CCC2)c2cc[nH]c2c1 98181426 171143040 /nfs/dbraw/zinc/14/30/40/171143040.db2.gz FUHGQUQCMNTLLX-UHFFFAOYSA-N 0 3 186.258 2.374 20 0 AEADHN c1cc(CNC2CC2)n(C2CC2)c1 45205858 171152560 /nfs/dbraw/zinc/15/25/60/171152560.db2.gz IKAHXGYQFDMNJB-UHFFFAOYSA-N 0 3 176.263 2.075 20 0 AEADHN COc1ccccc1CNC1CCC1 44479892 171152635 /nfs/dbraw/zinc/15/26/35/171152635.db2.gz YEMZYJHVOJLESC-UHFFFAOYSA-N 0 3 191.274 2.337 20 0 AEADHN c1c[nH]c(CNCC2CCCCC2)n1 49714833 171154476 /nfs/dbraw/zinc/15/44/76/171154476.db2.gz WTIQAHMNRAHBDV-UHFFFAOYSA-N 0 3 193.294 2.080 20 0 AEADHN c1cc(CN2CCCCCC2)on1 306267346 171157541 /nfs/dbraw/zinc/15/75/41/171157541.db2.gz IGTZBGDFGBNKLD-UHFFFAOYSA-N 0 3 180.251 2.051 20 0 AEADHN F[C@@H]1CC[C@H](NCc2ccco2)C1 306385225 171157837 /nfs/dbraw/zinc/15/78/37/171157837.db2.gz RJXNXFMVXILAMV-BDAKNGLRSA-N 0 3 183.226 2.260 20 0 AEADHN F[C@@H]1CC[C@@H](NCc2ccco2)C1 306385618 171158178 /nfs/dbraw/zinc/15/81/78/171158178.db2.gz RJXNXFMVXILAMV-RKDXNWHRSA-N 0 3 183.226 2.260 20 0 AEADHN F[C@@H]1CC[C@H](NCc2cccnc2)C1 306768476 171158643 /nfs/dbraw/zinc/15/86/43/171158643.db2.gz ZAOXCGVDFPCCAR-MNOVXSKESA-N 0 3 194.253 2.062 20 0 AEADHN F[C@@H]1CC[C@@H](NCc2cccnc2)C1 306768475 171158969 /nfs/dbraw/zinc/15/89/69/171158969.db2.gz ZAOXCGVDFPCCAR-GHMZBOCLSA-N 0 3 194.253 2.062 20 0 AEADHN F[C@@H]1CCN(C[C@@H]2CC=CCC2)C1 335405455 171167624 /nfs/dbraw/zinc/16/76/24/171167624.db2.gz AIQLFRPTWUQRHW-GHMZBOCLSA-N 0 3 183.270 2.387 20 0 AEADHN F[C@@H]1CCN([C@H]2C=CCCC2)C1 334700413 171177397 /nfs/dbraw/zinc/17/73/97/171177397.db2.gz IHXUGJKIQOPODY-ZJUUUORDSA-N 0 3 169.243 2.139 20 0 AEADHN C[C@H]1CC[C@@H](C)N1Cc1ccno1 307685213 171179827 /nfs/dbraw/zinc/17/98/27/171179827.db2.gz XUAWDFOQKLWXSP-DTORHVGOSA-N 0 3 180.251 2.047 20 0 AEADHN Fc1cc(Cl)cc2c1CCNC2 238593218 171186537 /nfs/dbraw/zinc/18/65/37/171186537.db2.gz TXBTXBGYLPOFKM-UHFFFAOYSA-N 0 3 185.629 2.125 20 0 AEADHN c1ccc(CN2CCCCCC2)nc1 307178297 171192135 /nfs/dbraw/zinc/19/21/35/171192135.db2.gz JZOQOFUIQHQENG-UHFFFAOYSA-N 0 3 190.290 2.458 20 0 AEADHN F[C@@H]1CCN([C@@H]2C=CCCC2)C1 334700394 171201096 /nfs/dbraw/zinc/20/10/96/171201096.db2.gz IHXUGJKIQOPODY-NXEZZACHSA-N 0 3 169.243 2.139 20 0 AEADHN CC[C@@H]1CCN(Cc2cc(C)no2)C1 335294548 171202142 /nfs/dbraw/zinc/20/21/42/171202142.db2.gz BYSDEXILAUZGEG-SNVBAGLBSA-N 0 3 194.278 2.215 20 0 AEADHN F[C@@H]1CCN(C[C@H]2CC=CCC2)C1 335405458 171202640 /nfs/dbraw/zinc/20/26/40/171202640.db2.gz AIQLFRPTWUQRHW-WDEREUQCSA-N 0 3 183.270 2.387 20 0 AEADHN F[C@@H]1CCN(CCc2ccccc2)C1 335405557 171202865 /nfs/dbraw/zinc/20/28/65/171202865.db2.gz DJZHYGHACVBYGD-GFCCVEGCSA-N 0 3 193.265 2.273 20 0 AEADHN F[C@@H]1CCN(CC2CCCC2)C1 335408184 171203700 /nfs/dbraw/zinc/20/37/00/171203700.db2.gz XFFQOFJSFVPGHA-SNVBAGLBSA-N 0 3 171.259 2.220 20 0 AEADHN F[C@H]1CCN(CC2CCCC2)C1 335408182 171203718 /nfs/dbraw/zinc/20/37/18/171203718.db2.gz XFFQOFJSFVPGHA-JTQLQIEISA-N 0 3 171.259 2.220 20 0 AEADHN CO[C@@H](C)CN1Cc2ccccc2C1 335818695 171205666 /nfs/dbraw/zinc/20/56/66/171205666.db2.gz WHRIYBCUYRFSHQ-JTQLQIEISA-N 0 3 191.274 2.037 20 0 AEADHN c1cc(CN2CC[C@@H]3CCC[C@@H]32)no1 335845578 171205855 /nfs/dbraw/zinc/20/58/55/171205855.db2.gz JDSXXDKZGAYAJR-ONGXEEELSA-N 0 3 192.262 2.049 20 0 AEADHN c1cc(CN2CC[C@H]3CCC[C@H]32)no1 335845577 171205976 /nfs/dbraw/zinc/20/59/76/171205976.db2.gz JDSXXDKZGAYAJR-MWLCHTKSSA-N 0 3 192.262 2.049 20 0 AEADHN c1cc(CN2CC[C@@H]3CCC[C@H]32)no1 335845575 171206070 /nfs/dbraw/zinc/20/60/70/171206070.db2.gz JDSXXDKZGAYAJR-GXSJLCMTSA-N 0 3 192.262 2.049 20 0 AEADHN c1cc(CN2CC[C@H]3CCC[C@@H]32)no1 335845576 171206302 /nfs/dbraw/zinc/20/63/02/171206302.db2.gz JDSXXDKZGAYAJR-KOLCDFICSA-N 0 3 192.262 2.049 20 0 AEADHN c1cc(CN2CC[C@@H]3CCC[C@H]32)on1 336105516 171208513 /nfs/dbraw/zinc/20/85/13/171208513.db2.gz GEPMTARVUQRBHU-GXSJLCMTSA-N 0 3 192.262 2.049 20 0 AEADHN C[C@H]1CC[C@@H](C)CN1Cc1cc[nH]n1 335944611 171208738 /nfs/dbraw/zinc/20/87/38/171208738.db2.gz YHQFTMLQUJJOND-ZJUUUORDSA-N 0 3 193.294 2.030 20 0 AEADHN c1cc(CN2CC[C@H]3CCC[C@@H]32)on1 336105517 171208770 /nfs/dbraw/zinc/20/87/70/171208770.db2.gz GEPMTARVUQRBHU-KOLCDFICSA-N 0 3 192.262 2.049 20 0 AEADHN c1cc(CN2CC[C@H]3CCC[C@H]32)on1 336105518 171208927 /nfs/dbraw/zinc/20/89/27/171208927.db2.gz GEPMTARVUQRBHU-MWLCHTKSSA-N 0 3 192.262 2.049 20 0 AEADHN C[C@H]1CC[C@@H](C)N(Cc2cc[nH]n2)C1 335944610 171208980 /nfs/dbraw/zinc/20/89/80/171208980.db2.gz YHQFTMLQUJJOND-VHSXEESVSA-N 0 3 193.294 2.030 20 0 AEADHN c1cc(CN2CC[C@@H]3CCC[C@@H]32)on1 336105519 171209008 /nfs/dbraw/zinc/20/90/08/171209008.db2.gz GEPMTARVUQRBHU-ONGXEEELSA-N 0 3 192.262 2.049 20 0 AEADHN CC[C@@H]1CCN(Cc2ccccn2)C1 336385327 171210862 /nfs/dbraw/zinc/21/08/62/171210862.db2.gz YLDZXAFFTNUJHK-LLVKDONJSA-N 0 3 190.290 2.314 20 0 AEADHN c1cc(CN2CCC3(CCC3)C2)on1 334145266 171211088 /nfs/dbraw/zinc/21/10/88/171211088.db2.gz XOEAYMGEARQJGZ-UHFFFAOYSA-N 0 3 192.262 2.051 20 0 AEADHN CC[C@@H]1CCN(Cc2cccnc2)C1 336586267 171211455 /nfs/dbraw/zinc/21/14/55/171211455.db2.gz KYOQQGNPIXTNJG-LLVKDONJSA-N 0 3 190.290 2.314 20 0 AEADHN Fc1cc(C2CC2)cc2c1CNCC2 261507310 171220389 /nfs/dbraw/zinc/22/03/89/171220389.db2.gz HINPFVRUJIUYOE-UHFFFAOYSA-N 0 3 191.249 2.349 20 0 AEADHN CN(Cc1cccnc1)C(C)(C)C 150207457 344078266 /nfs/dbraw/zinc/07/82/66/344078266.db2.gz OTHCHMNDICEGSV-UHFFFAOYSA-N 0 3 178.279 2.312 20 0 AEADHN Cc1ccc(CNC2(C)CCC2)nc1 159992024 344155947 /nfs/dbraw/zinc/15/59/47/344155947.db2.gz OGBNJCMDSGAYEB-UHFFFAOYSA-N 0 3 190.290 2.422 20 0 AEADHN C[C@@]1(NCc2cccs2)CCOC1 160191935 344159691 /nfs/dbraw/zinc/15/96/91/344159691.db2.gz PBGMALWXXVXJMQ-SNVBAGLBSA-N 0 3 197.303 2.017 20 0 AEADHN C[C@@]1(NCc2ccsc2)CCOC1 160194945 344159724 /nfs/dbraw/zinc/15/97/24/344159724.db2.gz LROCVKLUCPWAOF-SNVBAGLBSA-N 0 3 197.303 2.017 20 0 AEADHN CCc1cc(CNCC(C)(C)C)on1 164375530 344243850 /nfs/dbraw/zinc/24/38/50/344243850.db2.gz OKJPTVIENHYDPP-UHFFFAOYSA-N 0 3 196.294 2.373 20 0 AEADHN CCCN(CC)Cc1ccncc1 200119775 344362985 /nfs/dbraw/zinc/36/29/85/344362985.db2.gz SCBGUUVTOQEVDQ-UHFFFAOYSA-N 0 3 178.279 2.314 20 0 AEADHN CN(Cc1ccccn1)C(C)(C)C 202538923 344367327 /nfs/dbraw/zinc/36/73/27/344367327.db2.gz LWKQETIGTRMZCY-UHFFFAOYSA-N 0 3 178.279 2.312 20 0 AEADHN CC(C)CC[C@H]1NCCc2nc[nH]c21 219393571 344423564 /nfs/dbraw/zinc/42/35/64/344423564.db2.gz PNPHVFHSKOQEGI-SECBINFHSA-N 0 3 193.294 2.033 20 0 AEADHN C[C@@H]1CCCCN1Cc1ccccn1 225449602 344481665 /nfs/dbraw/zinc/48/16/65/344481665.db2.gz ZQJUHYAWBKOBBS-LLVKDONJSA-N 0 3 190.290 2.456 20 0 AEADHN CC1(C)CCC[C@@H]1NCc1ccno1 230973121 344646684 /nfs/dbraw/zinc/64/66/84/344646684.db2.gz FQTZZZMEBSQXFL-JTQLQIEISA-N 0 3 194.278 2.343 20 0 AEADHN CC1(C)CCC[C@H]1NCc1ccno1 230973123 344646700 /nfs/dbraw/zinc/64/67/00/344646700.db2.gz FQTZZZMEBSQXFL-SNVBAGLBSA-N 0 3 194.278 2.343 20 0 AEADHN CC1(C)CC[C@H](NCc2ccno2)C1 231880872 344662939 /nfs/dbraw/zinc/66/29/39/344662939.db2.gz MOPMFAPXFDRSMU-VIFPVBQESA-N 0 3 194.278 2.343 20 0 AEADHN CCc1ccc([C@H](N)CF)cc1 238293395 344799552 /nfs/dbraw/zinc/79/95/52/344799552.db2.gz UREJWKQCUMBSPH-SNVBAGLBSA-N 0 3 167.227 2.218 20 0 AEADHN CCOc1ccc([C@@H](N)CF)cc1 238294685 344799531 /nfs/dbraw/zinc/79/95/31/344799531.db2.gz OVJGURDWCPPGFB-JTQLQIEISA-N 0 3 183.226 2.055 20 0 AEADHN CSc1ccc([C@@H](N)CF)cc1 238421064 344806156 /nfs/dbraw/zinc/80/61/56/344806156.db2.gz DBBRXICEQQHTJY-VIFPVBQESA-N 0 3 185.267 2.378 20 0 AEADHN Cc1ccc(F)cc1[C@@H](N)CF 238498185 344809720 /nfs/dbraw/zinc/80/97/20/344809720.db2.gz ZYYWEEWSQVYAGN-VIFPVBQESA-N 0 3 171.190 2.103 20 0 AEADHN Cc1ccncc1CN(C)C(C)C 306185982 345076246 /nfs/dbraw/zinc/07/62/46/345076246.db2.gz AYMSHNKOCSRXMU-UHFFFAOYSA-N 0 3 178.279 2.230 20 0 AEADHN C[C@@]1(F)CCN(CCC2CC2)C1 306272405 345160135 /nfs/dbraw/zinc/16/01/35/345160135.db2.gz XIQIRUJNWFCJTM-SNVBAGLBSA-N 0 3 171.259 2.220 20 0 AEADHN Cc1c[nH]nc1CNC1CCCCC1 306347773 345221787 /nfs/dbraw/zinc/22/17/87/345221787.db2.gz FUYXHMBUODUJQT-UHFFFAOYSA-N 0 3 193.294 2.140 20 0 AEADHN CC[C@H](F)CN1CCC12CCC2 306533658 345405696 /nfs/dbraw/zinc/40/56/96/345405696.db2.gz NQKWARNSVWDFEV-VIFPVBQESA-N 0 3 171.259 2.363 20 0 AEADHN Cc1ncsc1CN1CCC[C@@H]1C 306567894 345444707 /nfs/dbraw/zinc/44/47/07/345444707.db2.gz INGOTSPXJKRFDH-QMMMGPOBSA-N 0 3 196.319 2.436 20 0 AEADHN Cc1ncsc1CN1CCC[C@H]1C 306567892 345444711 /nfs/dbraw/zinc/44/47/11/345444711.db2.gz INGOTSPXJKRFDH-MRVPVSSYSA-N 0 3 196.319 2.436 20 0 AEADHN c1cc2c(s1)CCNC21CCC1 306571709 345449113 /nfs/dbraw/zinc/44/91/13/345449113.db2.gz GGLBAIBPEMXDEN-UHFFFAOYSA-N 0 3 179.288 2.273 20 0 AEADHN Cc1ncc(CNC2CC(C)(C)C2)o1 306853849 345658687 /nfs/dbraw/zinc/65/86/87/345658687.db2.gz UQDHMIDREHERPZ-UHFFFAOYSA-N 0 3 194.278 2.261 20 0 AEADHN CCCCN1CCO[C@@H]2CCC[C@H]21 307037159 345770129 /nfs/dbraw/zinc/77/01/29/345770129.db2.gz ORPNAURCFCYXIV-GHMZBOCLSA-N 0 3 183.295 2.040 20 0 AEADHN CN(Cc1ccccn1)C1CCC1 307247779 345920245 /nfs/dbraw/zinc/92/02/45/345920245.db2.gz DVPUFELQXFJYEV-UHFFFAOYSA-N 0 3 176.263 2.066 20 0 AEADHN Cc1ncc(CNC2CCCCC2)o1 307280359 345944374 /nfs/dbraw/zinc/94/43/74/345944374.db2.gz YWOMLNBQUXCUBQ-UHFFFAOYSA-N 0 3 194.278 2.405 20 0 AEADHN Cc1cc(CN[C@H]2CCC2(C)C)on1 307390363 346011683 /nfs/dbraw/zinc/01/16/83/346011683.db2.gz SHWZMRXBPCSHNB-JTQLQIEISA-N 0 3 194.278 2.261 20 0 AEADHN c1nc(CNC2CCCCCC2)co1 307621314 346152228 /nfs/dbraw/zinc/15/22/28/346152228.db2.gz OSKKAGZQJQROCU-UHFFFAOYSA-N 0 3 194.278 2.487 20 0 AEADHN CC(C)CCSCCN(C)C 307908773 346234290 /nfs/dbraw/zinc/23/42/90/346234290.db2.gz UQUNBXSBGQIDAG-UHFFFAOYSA-N 0 3 175.341 2.327 20 0 AEADHN CCCCN1C[C@H](C)O[C@H](CC)C1 308244168 346274569 /nfs/dbraw/zinc/27/45/69/346274569.db2.gz UGPNPVOPTVKYSV-WDEREUQCSA-N 0 3 185.311 2.286 20 0 AEADHN Cc1cnccc1CN(C)C(C)C 334577607 346355207 /nfs/dbraw/zinc/35/52/07/346355207.db2.gz QIZDIEXXBINJMV-UHFFFAOYSA-N 0 3 178.279 2.230 20 0 AEADHN Cc1c[nH]nc1CN1CCCC[C@@H]1C 335179788 346382402 /nfs/dbraw/zinc/38/24/02/346382402.db2.gz UFGDZSNHPHUKAX-JTQLQIEISA-N 0 3 193.294 2.093 20 0 AEADHN Cc1noc(C)c1CN1CC[C@@H](C)C1 335294706 346386584 /nfs/dbraw/zinc/38/65/84/346386584.db2.gz GTDPGUAHMMMXOH-MRVPVSSYSA-N 0 3 194.278 2.133 20 0 AEADHN CC[C@H]1CCCN(Cc2ccno2)C1 334756000 346363662 /nfs/dbraw/zinc/36/36/62/346363662.db2.gz BELHOGUHLFSVOG-JTQLQIEISA-N 0 3 194.278 2.297 20 0 AEADHN CCC1(C)CN(Cc2ccn(C)c2)C1 334786011 346364101 /nfs/dbraw/zinc/36/41/01/346364101.db2.gz FHYDQTYMVJGLQI-UHFFFAOYSA-N 0 3 192.306 2.257 20 0 AEADHN CC1=CC[C@H](NCc2ccno2)CC1 335406081 346394457 /nfs/dbraw/zinc/39/44/57/346394457.db2.gz JHSCWOGCMPYAPU-JTQLQIEISA-N 0 3 192.262 2.263 20 0 AEADHN CC[C@H]1CN(C(C)C)C[C@H](CC)O1 335553990 346404741 /nfs/dbraw/zinc/40/47/41/346404741.db2.gz DZUAQDNRNOZXSI-QWRGUYRKSA-N 0 3 185.311 2.284 20 0 AEADHN CC[C@@H]1CN(C(C)C)C[C@@H](CC)O1 335553988 346404748 /nfs/dbraw/zinc/40/47/48/346404748.db2.gz DZUAQDNRNOZXSI-GHMZBOCLSA-N 0 3 185.311 2.284 20 0 AEADHN CC[C@@H]1COCCN1[C@@H]1C=CCCC1 335654270 346411673 /nfs/dbraw/zinc/41/16/73/346411673.db2.gz PHDBXLVQCFYATP-VXGBXAGGSA-N 0 3 195.306 2.206 20 0 AEADHN CC1(F)CC(NCc2ccccn2)C1 335375946 346392689 /nfs/dbraw/zinc/39/26/89/346392689.db2.gz NGCGPCGPTQPYRE-UHFFFAOYSA-N 0 3 194.253 2.062 20 0 AEADHN CC[C@H]1[C@@H](C)CCN1Cc1c[nH]cn1 335680473 346413950 /nfs/dbraw/zinc/41/39/50/346413950.db2.gz QIQYIJPXISVWAB-ONGXEEELSA-N 0 3 193.294 2.030 20 0 AEADHN CN(Cc1ccccn1)C1CCCC1 335704301 346414837 /nfs/dbraw/zinc/41/48/37/346414837.db2.gz INEWQDHMGLJLNA-UHFFFAOYSA-N 0 3 190.290 2.456 20 0 AEADHN CCCN1CCO[C@@H]2CCCC[C@H]21 335715580 346415811 /nfs/dbraw/zinc/41/58/11/346415811.db2.gz AIJWRDJKYZUZIB-GHMZBOCLSA-N 0 3 183.295 2.040 20 0 AEADHN C[C@H]1CN(Cc2ccon2)C(C)(C)C1 335724082 346416346 /nfs/dbraw/zinc/41/63/46/346416346.db2.gz FKCBYOZJEAASDX-SECBINFHSA-N 0 3 194.278 2.295 20 0 AEADHN CC1=CCCN(Cc2ccn(C)c2)C1 335723802 346416390 /nfs/dbraw/zinc/41/63/90/346416390.db2.gz OJXWCYUNICLBSW-UHFFFAOYSA-N 0 3 190.290 2.177 20 0 AEADHN CC[C@H]1[C@@H](C)CCN1Cc1ccon1 336009571 346433452 /nfs/dbraw/zinc/43/34/52/346433452.db2.gz PCPVQTCKAZOQPN-ONGXEEELSA-N 0 3 194.278 2.295 20 0 AEADHN CC(C)[C@H]1CCN1Cc1ccccn1 336331057 346455408 /nfs/dbraw/zinc/45/54/08/346455408.db2.gz WDDKXTDAPYCZFM-GFCCVEGCSA-N 0 3 190.290 2.312 20 0 AEADHN C[C@H](C(N)=O)N1CCC[C@@H](C2CC2)C1 336343164 346456271 /nfs/dbraw/zinc/45/62/71/346456271.db2.gz IGWYUIOWBJHZMI-PSASIEDQSA-N 0 3 196.294 2.032 20 0 AEADHN CC[C@H]1CCCCN1Cc1c[nH]cn1 336352698 346457780 /nfs/dbraw/zinc/45/77/80/346457780.db2.gz ZKTIZIZLVXCTKP-NSHDSACASA-N 0 3 193.294 2.174 20 0 AEADHN CC[C@H]1CCCCN1Cc1cnc[nH]1 336352698 346457781 /nfs/dbraw/zinc/45/77/81/346457781.db2.gz ZKTIZIZLVXCTKP-NSHDSACASA-N 0 3 193.294 2.174 20 0 AEADHN Cc1c[nH]nc1CN1CCCCCC1 336491484 346467462 /nfs/dbraw/zinc/46/74/62/346467462.db2.gz BMUKTJFCNYYTFJ-UHFFFAOYSA-N 0 3 193.294 2.094 20 0 AEADHN Cc1ncsc1CN(C)C(C)C 336553091 346471807 /nfs/dbraw/zinc/47/18/07/346471807.db2.gz LYYGUYCCQVYFOI-UHFFFAOYSA-N 0 3 184.308 2.292 20 0 AEADHN Cc1cc(CN2C[C@@H](C)[C@H](C)C2)on1 336556131 346475231 /nfs/dbraw/zinc/47/52/31/346475231.db2.gz KCARBOXIEFXKAA-RKDXNWHRSA-N 0 3 194.278 2.071 20 0 AEADHN CC(C)n1cc(CN2CCCC2)cn1 336614703 346479398 /nfs/dbraw/zinc/47/93/98/346479398.db2.gz JUTPEWUHDJDGID-UHFFFAOYSA-N 0 3 193.294 2.060 20 0 AEADHN CC[C@@H]1CC[C@H](C)N1Cc1ccno1 336379749 346459419 /nfs/dbraw/zinc/45/94/19/346459419.db2.gz QWZPNWMIANCSKC-VHSXEESVSA-N 0 3 194.278 2.438 20 0 AEADHN CN(CCC(F)(F)F)CC1CC1 607150893 346988565 /nfs/dbraw/zinc/98/85/65/346988565.db2.gz JWZWRTRXGDFCOE-UHFFFAOYSA-N 0 3 181.201 2.281 20 0 AEADHN CC(C)N(Cc1ccno1)C1CCC1 607155946 346989565 /nfs/dbraw/zinc/98/95/65/346989565.db2.gz PZPMZAPKCHLHCP-UHFFFAOYSA-N 0 3 194.278 2.438 20 0 AEADHN CC(C)N1CCC(c2ncco2)CC1 616619355 347125506 /nfs/dbraw/zinc/12/55/06/347125506.db2.gz KTCMLBWJDIGWKO-UHFFFAOYSA-N 0 3 194.278 2.262 20 0 AEADHN COCCN(Cc1ccco1)C(C)C 621272712 347225173 /nfs/dbraw/zinc/22/51/73/347225173.db2.gz ZQPMIKLCDCZPSA-UHFFFAOYSA-N 0 3 197.278 2.136 20 0 AEADHN C1CC[C@@H](CN(C2CC2)C2CC2)OC1 625835686 347293038 /nfs/dbraw/zinc/29/30/38/347293038.db2.gz UWWHROKEAQDPFA-LBPRGKRZSA-N 0 3 195.306 2.182 20 0 AEADHN Fc1ccccc1CN1C[C@H]2C[C@H]2C1 628407949 347316328 /nfs/dbraw/zinc/31/63/28/347316328.db2.gz QLNWWTWPRVDJKW-PHIMTYICSA-N 0 3 191.249 2.277 20 0 AEADHN C[C@H]1CC[C@H](CNCc2ccon2)C1 634979727 347430802 /nfs/dbraw/zinc/43/08/02/347430802.db2.gz MOLYLTHOYDBKFU-UWVGGRQHSA-N 0 3 194.278 2.200 20 0 AEADHN COc1cccc(C)c1CNC1CC1 638317713 347478749 /nfs/dbraw/zinc/47/87/49/347478749.db2.gz QWKPGQKGYWDBNS-UHFFFAOYSA-N 0 3 191.274 2.256 20 0 AEADHN c1cc(CNC2(C3CC3)CC2)sn1 638737739 347490315 /nfs/dbraw/zinc/49/03/15/347490315.db2.gz QVCHXQYDEHZCTH-UHFFFAOYSA-N 0 3 194.303 2.175 20 0 AEADHN C[C@H]1CCCN1Cc1ccns1 638070191 347474008 /nfs/dbraw/zinc/47/40/08/347474008.db2.gz WLAXCYJTZLHGQO-QMMMGPOBSA-N 0 3 182.292 2.127 20 0 AEADHN CCC[C@H](C)[C@H]1CCCN1CC(C)=O 639519633 347522462 /nfs/dbraw/zinc/52/24/62/347522462.db2.gz JUXAOFBLRLCCBZ-CMPLNLGQSA-N 0 3 197.322 2.476 20 0 AEADHN CCC[C@@H]1CCCN(CC(C)=O)C1 639516533 347522585 /nfs/dbraw/zinc/52/25/85/347522585.db2.gz VOUMQRAXUXFBOZ-LLVKDONJSA-N 0 3 183.295 2.088 20 0 AEADHN C[C@@H](C1CC1)N(C)Cc1cccnc1 641854407 347586114 /nfs/dbraw/zinc/58/61/14/347586114.db2.gz PDCVWSAKIWFZDK-JTQLQIEISA-N 0 3 190.290 2.312 20 0 AEADHN C[C@@H]1CN(CC2CCCC2)[C@H](C)CO1 642620348 347596770 /nfs/dbraw/zinc/59/67/70/347596770.db2.gz LLOPGJHIKJYUND-GHMZBOCLSA-N 0 3 197.322 2.286 20 0 AEADHN CC(C)=CCN1CCCO[C@@H](C)C1 306509436 351940411 /nfs/dbraw/zinc/94/04/11/351940411.db2.gz JHWRDSIWJFOOSC-NSHDSACASA-N 0 3 183.295 2.063 20 0 AEADHN Cc1ccc2c(c1)[C@H](N)[C@@H](F)CC2 536952755 352191475 /nfs/dbraw/zinc/19/14/75/352191475.db2.gz FOEAPQMFLORFBN-QWRGUYRKSA-N 0 3 179.238 2.279 20 0 AEADHN CCCN1C[C@@H](C)OC2(CCC2)C1 335464015 352099794 /nfs/dbraw/zinc/09/97/94/352099794.db2.gz UGLCQSJPUHXGIT-SNVBAGLBSA-N 0 3 183.295 2.040 20 0 AEADHN CCCCCNCc1nc(C)c(C)[nH]1 657287897 409467352 /nfs/dbraw/zinc/46/73/52/409467352.db2.gz ZOCAGDYRIITILX-UHFFFAOYSA-N 0 3 195.310 2.306 20 0 AEADHN CCC(CC)CNCc1nc(C)c[nH]1 657354870 409471584 /nfs/dbraw/zinc/47/15/84/409471584.db2.gz XEBCNXJLZAMWLG-UHFFFAOYSA-N 0 3 195.310 2.244 20 0 AEADHN C[C@H](NCc1cscn1)C1CC1 40421107 409344254 /nfs/dbraw/zinc/34/42/54/409344254.db2.gz AFLVCUBFRKBNAG-ZETCQYMHSA-N 0 3 182.292 2.031 20 0 AEADHN C[C@H](NCCC(C)(C)F)c1cn[nH]c1 658191233 409512187 /nfs/dbraw/zinc/51/21/87/409512187.db2.gz NNAHKKPNQZMRSF-QMMMGPOBSA-N 0 3 199.273 2.199 20 0 AEADHN Clc1cnccc1CNC1CCC1 84084980 325609225 /nfs/dbraw/zinc/60/92/25/325609225.db2.gz XNQYRJYVSWQPJD-UHFFFAOYSA-N 0 3 196.681 2.377 20 0 AEADHN Cc1ccc([C@@H](N)CF)c(C)c1 107121278 325618594 /nfs/dbraw/zinc/61/85/94/325618594.db2.gz UFCRSPOHJMGYNL-JTQLQIEISA-N 0 3 167.227 2.273 20 0 AEADHN Cc1ccc([C@H](N)CF)cc1C 107121291 325618649 /nfs/dbraw/zinc/61/86/49/325618649.db2.gz BYJBUWAHQDWQHH-SNVBAGLBSA-N 0 3 167.227 2.273 20 0 AEADHN Cc1cc(C)cc([C@@H](N)CF)c1 107121270 325618747 /nfs/dbraw/zinc/61/87/47/325618747.db2.gz DSIRFOSOVAGZBP-JTQLQIEISA-N 0 3 167.227 2.273 20 0 AEADHN N[C@@H](CF)c1ccc(Cl)c(F)c1 107135488 325619041 /nfs/dbraw/zinc/61/90/41/325619041.db2.gz IQRZGLOSIXNZMD-QMMMGPOBSA-N 0 3 191.608 2.448 20 0 AEADHN N[C@H](CF)c1cc(F)cc(Cl)c1 238684112 325633252 /nfs/dbraw/zinc/63/32/52/325633252.db2.gz JVIDQDYCYQOPOA-MRVPVSSYSA-N 0 3 191.608 2.448 20 0 AEADHN N[C@H](CF)c1ccc(F)c(Cl)c1 238684886 325633373 /nfs/dbraw/zinc/63/33/73/325633373.db2.gz CIHWEXFYVBURFH-MRVPVSSYSA-N 0 3 191.608 2.448 20 0 AEADHN C[C@H]1C[C@H](C)CC(N)(c2ncc[nH]2)C1 521401144 325645232 /nfs/dbraw/zinc/64/52/32/325645232.db2.gz HFEHNFQHGIVVBU-IUCAKERBSA-N 0 3 193.294 2.020 20 0 AEADHN C[C@@H]1C[C@@H](C)CC(N)(c2ncc[nH]2)C1 521401145 325645299 /nfs/dbraw/zinc/64/52/99/325645299.db2.gz HFEHNFQHGIVVBU-RKDXNWHRSA-N 0 3 193.294 2.020 20 0 AEADHN C[C@H]1C[C@H](C)CC[C@@]1(N)c1ncc[nH]1 521401184 325645359 /nfs/dbraw/zinc/64/53/59/325645359.db2.gz HSJZOBAPYGXBQX-YWVKMMECSA-N 0 3 193.294 2.020 20 0 AEADHN C[C@@H]1CC[C@@](N)(c2ncc[nH]2)[C@H](C)C1 521401175 325645489 /nfs/dbraw/zinc/64/54/89/325645489.db2.gz HSJZOBAPYGXBQX-KKZNHRDASA-N 0 3 193.294 2.020 20 0 AEADHN CC[C@H]1CCCC[C@@]1(N)c1ncc[nH]1 521402269 325646367 /nfs/dbraw/zinc/64/63/67/325646367.db2.gz ZKEJGEGUUWGUKU-ONGXEEELSA-N 0 3 193.294 2.164 20 0 AEADHN CC[C@@H]1CCCC[C@]1(N)c1ncc[nH]1 521402268 325646400 /nfs/dbraw/zinc/64/64/00/325646400.db2.gz ZKEJGEGUUWGUKU-MWLCHTKSSA-N 0 3 193.294 2.164 20 0 AEADHN CCN(CC)Cc1ccnc(C)c1 527535062 325647682 /nfs/dbraw/zinc/64/76/82/325647682.db2.gz QJQUAHKHBVIUMJ-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN CCC1(NCc2ccc(F)cn2)CC1 529589561 325661819 /nfs/dbraw/zinc/66/18/19/325661819.db2.gz VUAPLECCWFHVQU-UHFFFAOYSA-N 0 3 194.253 2.253 20 0 AEADHN CC1(NCc2ccc(F)cn2)CCC1 529544006 325661928 /nfs/dbraw/zinc/66/19/28/325661928.db2.gz UXWRTVHRVJPMNP-UHFFFAOYSA-N 0 3 194.253 2.253 20 0 AEADHN CC1(C)C[C@@H]1NCc1ccc(F)cn1 529607995 325662384 /nfs/dbraw/zinc/66/23/84/325662384.db2.gz KJKPHUNJGKQYNO-JTQLQIEISA-N 0 3 194.253 2.109 20 0 AEADHN Cc1ccc2c(c1)[C@H](N)[C@H](F)CC2 536952752 325668746 /nfs/dbraw/zinc/66/87/46/325668746.db2.gz FOEAPQMFLORFBN-MNOVXSKESA-N 0 3 179.238 2.279 20 0 AEADHN Cc1ccc2c(c1)[C@@H](N)[C@H](F)CC2 536952743 325668705 /nfs/dbraw/zinc/66/87/05/325668705.db2.gz FOEAPQMFLORFBN-GHMZBOCLSA-N 0 3 179.238 2.279 20 0 AEADHN N[C@H]1c2ccc(F)cc2CC[C@H]1F 536954423 325670483 /nfs/dbraw/zinc/67/04/83/325670483.db2.gz UGXNUAISYZOWCP-ZJUUUORDSA-N 0 3 183.201 2.110 20 0 AEADHN N[C@@H]1c2ccc(F)cc2CC[C@H]1F 536954408 325670490 /nfs/dbraw/zinc/67/04/90/325670490.db2.gz UGXNUAISYZOWCP-NXEZZACHSA-N 0 3 183.201 2.110 20 0 AEADHN N[C@H]1c2ccc(F)cc2CC[C@@H]1F 536954417 325670507 /nfs/dbraw/zinc/67/05/07/325670507.db2.gz UGXNUAISYZOWCP-UWVGGRQHSA-N 0 3 183.201 2.110 20 0 AEADHN CN(C)CCSc1ccccc1 7056178 343017238 /nfs/dbraw/zinc/01/72/38/343017238.db2.gz WFNAQGTYZOPZIU-UHFFFAOYSA-N 0 3 181.304 2.340 20 0 AEADHN C[C@H]1CCc2nc([C@H](C)N)sc2C1 11567751 343022410 /nfs/dbraw/zinc/02/24/10/343022410.db2.gz LVFYXTBQIWFXSH-BQBZGAKWSA-N 0 3 196.319 2.288 20 0 AEADHN C[C@H]1CCc2nc([C@@H](C)N)sc2C1 11567749 343022524 /nfs/dbraw/zinc/02/25/24/343022524.db2.gz LVFYXTBQIWFXSH-NKWVEPMBSA-N 0 3 196.319 2.288 20 0 AEADHN CCc1nc([C@H](C)N)sc1C 11887356 343026168 /nfs/dbraw/zinc/02/61/68/343026168.db2.gz KORQMGKCKVJCQR-YFKPBYRVSA-N 0 3 170.281 2.034 20 0 AEADHN CCN1CCC[C@H]1c1cc(C)no1 13739952 343037480 /nfs/dbraw/zinc/03/74/80/343037480.db2.gz VOPHAAKSRDQIJD-VIFPVBQESA-N 0 3 180.251 2.140 20 0 AEADHN CCCN[C@@H](C)c1ccccn1 19477946 343056130 /nfs/dbraw/zinc/05/61/30/343056130.db2.gz NOUCUSJSABVUCN-VIFPVBQESA-N 0 3 164.252 2.142 20 0 AEADHN CCCN[C@@H](C)c1ccco1 19488252 343056665 /nfs/dbraw/zinc/05/66/65/343056665.db2.gz JQIFNKVSCXUFNB-QMMMGPOBSA-N 0 3 153.225 2.340 20 0 AEADHN C[C@H]1CCCC[C@H]1N1CCC(=O)CC1 19519192 343057641 /nfs/dbraw/zinc/05/76/41/343057641.db2.gz NFECKELWIGFNAJ-CMPLNLGQSA-N 0 3 195.306 2.230 20 0 AEADHN Cc1ccc(CNCC2CC2)o1 19884706 343063724 /nfs/dbraw/zinc/06/37/24/343063724.db2.gz VHSNKXXIFMHQQP-UHFFFAOYSA-N 0 3 165.236 2.088 20 0 AEADHN C[C@H](NCC1CC1)c1ccco1 19884837 343063737 /nfs/dbraw/zinc/06/37/37/343063737.db2.gz CPCVNNQLQYDONR-QMMMGPOBSA-N 0 3 165.236 2.340 20 0 AEADHN C[C@H](NC[C@@H]1CCCO1)c1ccco1 19963593 343065399 /nfs/dbraw/zinc/06/53/99/343065399.db2.gz SBGRPHFBZRNBLY-UWVGGRQHSA-N 0 3 195.262 2.109 20 0 AEADHN CC[C@H](N)c1cc(OC)ccc1OC 19967571 343065500 /nfs/dbraw/zinc/06/55/00/343065500.db2.gz NSOXLVZWGDWPBU-JTQLQIEISA-N 0 3 195.262 2.114 20 0 AEADHN CC[C@H](CO)N[C@@H](C)c1ccc(C)o1 20195154 343069054 /nfs/dbraw/zinc/06/90/54/343069054.db2.gz AAASYACDKZOZTE-VHSXEESVSA-N 0 3 197.278 2.010 20 0 AEADHN CC[C@@H](CO)N[C@@H](C)c1ccc(C)o1 20195152 343069120 /nfs/dbraw/zinc/06/91/20/343069120.db2.gz AAASYACDKZOZTE-UWVGGRQHSA-N 0 3 197.278 2.010 20 0 AEADHN CC[C@@H](CO)N[C@H](C)c1ccc(C)o1 20195156 343069168 /nfs/dbraw/zinc/06/91/68/343069168.db2.gz AAASYACDKZOZTE-ZJUUUORDSA-N 0 3 197.278 2.010 20 0 AEADHN CC[C@H](CO)N[C@H](C)c1ccc(C)o1 20195158 343069190 /nfs/dbraw/zinc/06/91/90/343069190.db2.gz AAASYACDKZOZTE-NXEZZACHSA-N 0 3 197.278 2.010 20 0 AEADHN CCCCNCc1c(C)noc1C 20252908 343070362 /nfs/dbraw/zinc/07/03/62/343070362.db2.gz JORABRZYFXAKNV-UHFFFAOYSA-N 0 3 182.267 2.181 20 0 AEADHN Cc1noc(C)c1CNCC(C)C 20252810 343070424 /nfs/dbraw/zinc/07/04/24/343070424.db2.gz JYZDERMLGOVMJF-UHFFFAOYSA-N 0 3 182.267 2.037 20 0 AEADHN CC[C@H](C)NCc1c(C)noc1C 20252807 343070441 /nfs/dbraw/zinc/07/04/41/343070441.db2.gz OEOGQGWBRCWZLQ-ZETCQYMHSA-N 0 3 182.267 2.180 20 0 AEADHN Cc1nc(CNC2CCCC2)cs1 20252813 343070528 /nfs/dbraw/zinc/07/05/28/343070528.db2.gz MJJZBCOTVBGMQQ-UHFFFAOYSA-N 0 3 196.319 2.484 20 0 AEADHN Cc1noc(C)c1CN[C@H](C)C(C)C 20306282 343071684 /nfs/dbraw/zinc/07/16/84/343071684.db2.gz QAQUWDUTPKPLGD-MRVPVSSYSA-N 0 3 196.294 2.426 20 0 AEADHN Cc1noc(C)c1CN[C@@H](C)C(C)C 20306284 343071729 /nfs/dbraw/zinc/07/17/29/343071729.db2.gz QAQUWDUTPKPLGD-QMMMGPOBSA-N 0 3 196.294 2.426 20 0 AEADHN C[C@H](NCc1ccco1)C1CC1 21955755 343076477 /nfs/dbraw/zinc/07/64/77/343076477.db2.gz IUYDQGJNDFVKBL-QMMMGPOBSA-N 0 3 165.236 2.168 20 0 AEADHN C[C@H](NC1CC1)c1cccc(O)c1 22149468 343079802 /nfs/dbraw/zinc/07/98/02/343079802.db2.gz SBSBASDUFOSLAB-QMMMGPOBSA-N 0 3 177.247 2.205 20 0 AEADHN CCC(CC)NCc1nccs1 22862224 343082201 /nfs/dbraw/zinc/08/22/01/343082201.db2.gz NQVWUFGDIQNNIV-UHFFFAOYSA-N 0 3 184.308 2.421 20 0 AEADHN CC[C@H](C)NCc1nccs1 22861951 343082425 /nfs/dbraw/zinc/08/24/25/343082425.db2.gz OYPILRFHCKGVHR-ZETCQYMHSA-N 0 3 170.281 2.031 20 0 AEADHN CCN(CC)Cc1c(C)noc1C 24547622 343085847 /nfs/dbraw/zinc/08/58/47/343085847.db2.gz YPUMZEVFNBOOSZ-UHFFFAOYSA-N 0 3 182.267 2.133 20 0 AEADHN CCN1Cc2ccc(C)cc2C1 26950837 343090823 /nfs/dbraw/zinc/09/08/23/343090823.db2.gz HWJXMDPGQPVMRW-UHFFFAOYSA-N 0 3 161.248 2.331 20 0 AEADHN CC1CCN(Cc2ccccn2)CC1 27904204 343091110 /nfs/dbraw/zinc/09/11/10/343091110.db2.gz TYHOPSRQVRQLMH-UHFFFAOYSA-N 0 3 190.290 2.314 20 0 AEADHN Cc1cccc([C@@H]2CNC[C@@H](C)O2)c1 32008406 343096752 /nfs/dbraw/zinc/09/67/52/343096752.db2.gz UOHOTZXUXWQOEW-PWSUYJOCSA-N 0 3 191.274 2.044 20 0 AEADHN Cc1cccc([C@@H]2CNC[C@H](C)O2)c1 32008408 343096781 /nfs/dbraw/zinc/09/67/81/343096781.db2.gz UOHOTZXUXWQOEW-JQWIXIFHSA-N 0 3 191.274 2.044 20 0 AEADHN Cc1cccc([C@H]2CNC[C@H](C)O2)c1 32008411 343096830 /nfs/dbraw/zinc/09/68/30/343096830.db2.gz UOHOTZXUXWQOEW-CMPLNLGQSA-N 0 3 191.274 2.044 20 0 AEADHN Cc1cccc([C@H]2CNC[C@@H](C)O2)c1 32008410 343096923 /nfs/dbraw/zinc/09/69/23/343096923.db2.gz UOHOTZXUXWQOEW-ZYHUDNBSSA-N 0 3 191.274 2.044 20 0 AEADHN Cc1ccc(CN2CCCC2)o1 32167026 343099292 /nfs/dbraw/zinc/09/92/92/343099292.db2.gz IETSEKPJTAMXGM-UHFFFAOYSA-N 0 3 165.236 2.184 20 0 endogenous,in-man AEADHN C[C@H]1c2ccccc2CCN1C 32189039 343100123 /nfs/dbraw/zinc/10/01/23/343100123.db2.gz ANEGOXNGPXRGPY-VIFPVBQESA-N 0 3 161.248 2.236 20 0 AEADHN CN1CC=C(c2ccccc2)C1 33638503 343105823 /nfs/dbraw/zinc/10/58/23/343105823.db2.gz YSXZLMAVUKNKOW-UHFFFAOYSA-N 0 3 159.232 2.015 20 0 AEADHN Cc1ccoc1CN1CCCC1 34245866 343114511 /nfs/dbraw/zinc/11/45/11/343114511.db2.gz MHDHZFYFQZAJAM-UHFFFAOYSA-N 0 3 165.236 2.184 20 0 AEADHN C[C@@H](c1ccccn1)N1CCCC1 34408291 343118181 /nfs/dbraw/zinc/11/81/81/343118181.db2.gz BSLOVEUOGSDAIH-JTQLQIEISA-N 0 3 176.263 2.238 20 0 AEADHN CCCCN(CCCC)CC(C)=O 34989435 343127035 /nfs/dbraw/zinc/12/70/35/343127035.db2.gz VJTVCCVWOKGBCL-UHFFFAOYSA-N 0 3 185.311 2.478 20 0 AEADHN CC(C)NCc1cccc(F)c1F 35053601 343127707 /nfs/dbraw/zinc/12/77/07/343127707.db2.gz QFTICDRWMZGWIO-UHFFFAOYSA-N 0 3 185.217 2.463 20 0 AEADHN Cc1ccc(CN[C@@H](C)C2CC2)o1 35136497 343128686 /nfs/dbraw/zinc/12/86/86/343128686.db2.gz ARGBKRSAIDHEPA-VIFPVBQESA-N 0 3 179.263 2.476 20 0 AEADHN Cc1ccc(CN[C@H](C)C2CC2)o1 35136499 343128734 /nfs/dbraw/zinc/12/87/34/343128734.db2.gz ARGBKRSAIDHEPA-SECBINFHSA-N 0 3 179.263 2.476 20 0 AEADHN C[C@H](N[C@@H]1CCSC1)c1ccco1 35136939 343128804 /nfs/dbraw/zinc/12/88/04/343128804.db2.gz TVYPUGCZGZRDKQ-DTWKUNHWSA-N 0 3 197.303 2.436 20 0 AEADHN Cc1nc(CN[C@H](C)C2CC2)cs1 35136708 343128879 /nfs/dbraw/zinc/12/88/79/343128879.db2.gz XSTFYKMQSJCLCN-SSDOTTSWSA-N 0 3 196.319 2.340 20 0 AEADHN Cc1nc(CN[C@@H](C)C2CC2)cs1 35136707 343128889 /nfs/dbraw/zinc/12/88/89/343128889.db2.gz XSTFYKMQSJCLCN-ZETCQYMHSA-N 0 3 196.319 2.340 20 0 AEADHN C[C@H](N[C@H]1CCSC1)c1ccco1 35136943 343129133 /nfs/dbraw/zinc/12/91/33/343129133.db2.gz TVYPUGCZGZRDKQ-IUCAKERBSA-N 0 3 197.303 2.436 20 0 AEADHN CC(C)N[C@H]1COc2ccc(F)cc21 35652893 343135781 /nfs/dbraw/zinc/13/57/81/343135781.db2.gz FPSLLDYMRJIDBR-JTQLQIEISA-N 0 3 195.237 2.257 20 0 AEADHN CC(C)c1ccc2c(c1)[C@H](N)CO2 35654596 343136282 /nfs/dbraw/zinc/13/62/82/343136282.db2.gz NNXHBPIAZMDRQC-SNVBAGLBSA-N 0 3 177.247 2.202 20 0 AEADHN CCOCCNCc1sccc1C 36228698 343142304 /nfs/dbraw/zinc/14/23/04/343142304.db2.gz ORYGMLUEGXKMNO-UHFFFAOYSA-N 0 3 199.319 2.183 20 0 AEADHN C[C@H](N)c1nc(-c2cccs2)c[nH]1 36872313 343151937 /nfs/dbraw/zinc/15/19/37/343151937.db2.gz RFQVVAYHGAEIQM-LURJTMIESA-N 0 3 193.275 2.158 20 0 AEADHN C[C@H]1CCCC[C@@H]1NCc1cc[nH]n1 36900065 343153200 /nfs/dbraw/zinc/15/32/00/343153200.db2.gz XOPWCUZMAICGGB-ONGXEEELSA-N 0 3 193.294 2.078 20 0 AEADHN C[C@H]1CCCC[C@H]1NCc1cc[nH]n1 36900067 343153488 /nfs/dbraw/zinc/15/34/88/343153488.db2.gz XOPWCUZMAICGGB-GXSJLCMTSA-N 0 3 193.294 2.078 20 0 AEADHN CC1CCC(NCc2cc[nH]n2)CC1 36900049 343153495 /nfs/dbraw/zinc/15/34/95/343153495.db2.gz SJKWVCNPEAJXIF-UHFFFAOYSA-N 0 3 193.294 2.078 20 0 AEADHN CCCNCc1occc1C 36947871 343155891 /nfs/dbraw/zinc/15/58/91/343155891.db2.gz JTXMMHSFLBUGBH-UHFFFAOYSA-N 0 3 153.225 2.088 20 0 AEADHN Cc1ccc(Cl)c2c1[C@@H](N)CCO2 36985145 343156684 /nfs/dbraw/zinc/15/66/84/343156684.db2.gz VZKPVKMUMYOISJ-QMMMGPOBSA-N 0 3 197.665 2.431 20 0 AEADHN Cc1ccc(CNCC2CCC2)o1 37180219 343161909 /nfs/dbraw/zinc/16/19/09/343161909.db2.gz CROWCQZFSBKDHS-UHFFFAOYSA-N 0 3 179.263 2.478 20 0 AEADHN Cc1noc(C)c1CNCC1CCC1 37179382 343161942 /nfs/dbraw/zinc/16/19/42/343161942.db2.gz UDZUPUOBOKEUPV-UHFFFAOYSA-N 0 3 194.278 2.181 20 0 AEADHN CC(C)NCc1cnn(C(C)(C)C)c1 37186304 343162251 /nfs/dbraw/zinc/16/22/51/343162251.db2.gz JYJCPRYLDKDROV-UHFFFAOYSA-N 0 3 195.310 2.136 20 0 AEADHN CC(C)NCc1nc2ccccc2o1 37390483 343167660 /nfs/dbraw/zinc/16/76/60/343167660.db2.gz ZXRBNGVBMPKASY-UHFFFAOYSA-N 0 3 190.246 2.326 20 0 AEADHN CCCNCc1ccc(Cl)o1 37487009 343171594 /nfs/dbraw/zinc/17/15/94/343171594.db2.gz LQJPTHWPUKTMAR-UHFFFAOYSA-N 0 3 173.643 2.433 20 0 AEADHN CC(C)NCc1ccc(Cl)o1 37486955 343171727 /nfs/dbraw/zinc/17/17/27/343171727.db2.gz QMCMVTIATNTECH-UHFFFAOYSA-N 0 3 173.643 2.431 20 0 AEADHN C[C@H]1CCC[C@H](NCc2cc[nH]n2)C1 37507443 343172302 /nfs/dbraw/zinc/17/23/02/343172302.db2.gz QZHIIXPXAKDLNL-UWVGGRQHSA-N 0 3 193.294 2.078 20 0 AEADHN C[C@H]1CCC[C@@H](NCc2cc[nH]n2)C1 37507445 343172553 /nfs/dbraw/zinc/17/25/53/343172553.db2.gz QZHIIXPXAKDLNL-VHSXEESVSA-N 0 3 193.294 2.078 20 0 AEADHN C[C@H]1C[C@H]1CNCc1ccco1 37897511 343179862 /nfs/dbraw/zinc/17/98/62/343179862.db2.gz OKHAVUQIQLUFRU-IUCAKERBSA-N 0 3 165.236 2.025 20 0 AEADHN Cc1ccoc1CNCC1CC1 37927760 343181940 /nfs/dbraw/zinc/18/19/40/343181940.db2.gz VLXFARLPCQPMGV-UHFFFAOYSA-N 0 3 165.236 2.088 20 0 AEADHN Cc1ccoc1CNC(C)(C)C 37927174 343182188 /nfs/dbraw/zinc/18/21/88/343182188.db2.gz DOKVCIHHEDPWJB-UHFFFAOYSA-N 0 3 167.252 2.476 20 0 AEADHN Cc1ccoc1CNCC(C)C 37927244 343182227 /nfs/dbraw/zinc/18/22/27/343182227.db2.gz HTLVTWWUKITQQD-UHFFFAOYSA-N 0 3 167.252 2.334 20 0 AEADHN CCCCNCc1ccoc1C 37927286 343182302 /nfs/dbraw/zinc/18/23/02/343182302.db2.gz TWXZXXBMOGITAZ-UHFFFAOYSA-N 0 3 167.252 2.478 20 0 AEADHN Cc1csc(CNC2CCCC2)n1 37988544 343183086 /nfs/dbraw/zinc/18/30/86/343183086.db2.gz CESKSFMIMTUJPJ-UHFFFAOYSA-N 0 3 196.319 2.484 20 0 AEADHN Cc1ccc(CNC2CC2)c(F)c1 38071659 343183966 /nfs/dbraw/zinc/18/39/66/343183966.db2.gz LQQQFAIKMHMLST-UHFFFAOYSA-N 0 3 179.238 2.386 20 0 AEADHN Cc1ccc(F)c(CNC2CC2)c1 38071654 343184127 /nfs/dbraw/zinc/18/41/27/343184127.db2.gz DLSKIRVPLGEUNA-UHFFFAOYSA-N 0 3 179.238 2.386 20 0 AEADHN CC[C@H](C)NCc1nc(C)cs1 38090574 343184596 /nfs/dbraw/zinc/18/45/96/343184596.db2.gz QBVUXAVJZKLDDB-ZETCQYMHSA-N 0 3 184.308 2.340 20 0 AEADHN Cc1ccc([C@@H](C)NCC(C)(C)O)o1 38097777 343185011 /nfs/dbraw/zinc/18/50/11/343185011.db2.gz PAAVBBDVVGHSTB-SECBINFHSA-N 0 3 197.278 2.010 20 0 AEADHN CCCC[C@@H](N)c1ccco1 39090969 343198023 /nfs/dbraw/zinc/19/80/23/343198023.db2.gz YCNWYDMJAQDTRK-MRVPVSSYSA-N 0 3 153.225 2.470 20 0 AEADHN C1=C[C@H](NCc2ccccc2)CC1 39168430 343205117 /nfs/dbraw/zinc/20/51/17/343205117.db2.gz MABYMUYWQDFHJZ-LBPRGKRZSA-N 0 3 173.259 2.495 20 0 AEADHN C[C@H](c1ccccn1)N1CCCC1 39200974 343205885 /nfs/dbraw/zinc/20/58/85/343205885.db2.gz BSLOVEUOGSDAIH-SNVBAGLBSA-N 0 3 176.263 2.238 20 0 AEADHN c1coc(CN2CCCCC2)c1 39203204 343205956 /nfs/dbraw/zinc/20/59/56/343205956.db2.gz SBLDBTJGYINGFN-UHFFFAOYSA-N 0 3 165.236 2.266 20 0 AEADHN CN(C)CCSCc1ccccc1 39250541 343208411 /nfs/dbraw/zinc/20/84/11/343208411.db2.gz UEHVHQWGYQXHJM-UHFFFAOYSA-N 0 3 195.331 2.481 20 0 AEADHN CC[C@](F)(CN)c1ccccc1 39258268 343208738 /nfs/dbraw/zinc/20/87/38/343208738.db2.gz GVENJCGDVHVTFM-JTQLQIEISA-N 0 3 167.227 2.220 20 0 AEADHN CC[C@@](F)(CN)c1ccccc1 39258267 343208802 /nfs/dbraw/zinc/20/88/02/343208802.db2.gz GVENJCGDVHVTFM-SNVBAGLBSA-N 0 3 167.227 2.220 20 0 AEADHN CCN(C)Cc1cccs1 39286392 343210146 /nfs/dbraw/zinc/21/01/46/343210146.db2.gz XAXGZUGNRHIUPH-UHFFFAOYSA-N 0 3 155.266 2.200 20 0 AEADHN CC(C)[C@@H](C)NCc1cscn1 40420566 343217835 /nfs/dbraw/zinc/21/78/35/343217835.db2.gz YAFUQNXBAOYNOA-MRVPVSSYSA-N 0 3 184.308 2.277 20 0 AEADHN CC(C)[C@H](C)NCc1cscn1 40420568 343217885 /nfs/dbraw/zinc/21/78/85/343217885.db2.gz YAFUQNXBAOYNOA-QMMMGPOBSA-N 0 3 184.308 2.277 20 0 AEADHN CC[C@H](C)NCc1cscn1 40419981 343218048 /nfs/dbraw/zinc/21/80/48/343218048.db2.gz XHMLCIBDDIOGJD-ZETCQYMHSA-N 0 3 170.281 2.031 20 0 AEADHN CC(C)CCNCc1nccs1 40444071 343218175 /nfs/dbraw/zinc/21/81/75/343218175.db2.gz PIDRZXFJVILGDM-UHFFFAOYSA-N 0 3 184.308 2.279 20 0 AEADHN CCC(C)(C)NCc1cscn1 40504054 343219664 /nfs/dbraw/zinc/21/96/64/343219664.db2.gz MXZXXTGJODYMNY-UHFFFAOYSA-N 0 3 184.308 2.421 20 0 AEADHN CC(C)[C@@H](C)NCc1nccs1 41011825 343225268 /nfs/dbraw/zinc/22/52/68/343225268.db2.gz QYPIKVYQHYQRMN-MRVPVSSYSA-N 0 3 184.308 2.277 20 0 AEADHN CC(C)[C@H](C)NCc1nccs1 41011827 343225293 /nfs/dbraw/zinc/22/52/93/343225293.db2.gz QYPIKVYQHYQRMN-QMMMGPOBSA-N 0 3 184.308 2.277 20 0 AEADHN C[C@H](NCc1nccs1)C1CC1 41011754 343225310 /nfs/dbraw/zinc/22/53/10/343225310.db2.gz ODKRIWXJERSIMT-ZETCQYMHSA-N 0 3 182.292 2.031 20 0 AEADHN Cc1cc(CNC2CCCC2)on1 41042190 343225988 /nfs/dbraw/zinc/22/59/88/343225988.db2.gz SLTIYHREAAMKHR-UHFFFAOYSA-N 0 3 180.251 2.015 20 0 AEADHN Cc1cc(CNC2CCCCC2)on1 41042232 343226115 /nfs/dbraw/zinc/22/61/15/343226115.db2.gz UTSDJMQZIQKOSV-UHFFFAOYSA-N 0 3 194.278 2.405 20 0 AEADHN CC(C)N(C)Cc1ccco1 41392394 343234354 /nfs/dbraw/zinc/23/43/54/343234354.db2.gz JSAZVGUSOHKTIT-UHFFFAOYSA-N 0 3 153.225 2.120 20 0 AEADHN CCN(CC)C/C=C/Cl 41392071 343234360 /nfs/dbraw/zinc/23/43/60/343234360.db2.gz INYDDUCHULCIBX-AATRIKPKSA-N 0 3 147.649 2.081 20 0 AEADHN CN(C)CCSC1CCCC1 41391361 343234375 /nfs/dbraw/zinc/23/43/75/343234375.db2.gz ZLSWNRPMMMYHAX-UHFFFAOYSA-N 0 3 173.325 2.224 20 0 AEADHN CN(Cc1cccs1)C1CC1 41392542 343234404 /nfs/dbraw/zinc/23/44/04/343234404.db2.gz NAVNTMUQFFBGGF-UHFFFAOYSA-N 0 3 167.277 2.342 20 0 AEADHN CCCCSCCN(C)C 41392898 343235229 /nfs/dbraw/zinc/23/52/29/343235229.db2.gz JFBUIRIGJZZVBK-UHFFFAOYSA-N 0 3 161.314 2.081 20 0 AEADHN CC(C)OCCNCc1ccccc1 42221794 343238630 /nfs/dbraw/zinc/23/86/30/343238630.db2.gz KXJPTYQZJZAWGV-UHFFFAOYSA-N 0 3 193.290 2.201 20 0 AEADHN CC1(C)C[C@@H]1NCc1ccco1 44371147 343264084 /nfs/dbraw/zinc/26/40/84/343264084.db2.gz MZZGMTJPQZKTFA-VIFPVBQESA-N 0 3 165.236 2.168 20 0 AEADHN Cc1ccc(CN[C@@H]2CC2(C)C)o1 44371205 343264159 /nfs/dbraw/zinc/26/41/59/343264159.db2.gz XFXRYVAZISLHGW-SNVBAGLBSA-N 0 3 179.263 2.476 20 0 AEADHN Cc1ccc(CN[C@H]2CC2(C)C)o1 44371210 343264207 /nfs/dbraw/zinc/26/42/07/343264207.db2.gz XFXRYVAZISLHGW-JTQLQIEISA-N 0 3 179.263 2.476 20 0 AEADHN Cc1ncc(CN[C@@H]2CC2(C)C)s1 44370316 343264251 /nfs/dbraw/zinc/26/42/51/343264251.db2.gz AQXYJNXMOAIWFH-SECBINFHSA-N 0 3 196.319 2.340 20 0 AEADHN CC1(C)C[C@H]1NCc1ccco1 44371152 343264283 /nfs/dbraw/zinc/26/42/83/343264283.db2.gz MZZGMTJPQZKTFA-SECBINFHSA-N 0 3 165.236 2.168 20 0 AEADHN CC1(C)C[C@H]1NCc1cccc(O)c1 44371990 343264299 /nfs/dbraw/zinc/26/42/99/343264299.db2.gz AJETWQCKIXKHAK-LLVKDONJSA-N 0 3 191.274 2.280 20 0 AEADHN Cc1ncc(CN[C@H]2CC2(C)C)s1 44370321 343264402 /nfs/dbraw/zinc/26/44/02/343264402.db2.gz AQXYJNXMOAIWFH-VIFPVBQESA-N 0 3 196.319 2.340 20 0 AEADHN Cc1ncc(CNC2CCC2)s1 44481904 343266725 /nfs/dbraw/zinc/26/67/25/343266725.db2.gz VJDXSAGCWMZTRL-UHFFFAOYSA-N 0 3 182.292 2.094 20 0 AEADHN Cc1csc(CNC2CCC2)n1 44481862 343266759 /nfs/dbraw/zinc/26/67/59/343266759.db2.gz IIPNZUSFTXGWCG-UHFFFAOYSA-N 0 3 182.292 2.094 20 0 AEADHN C[C@H](NC1CCC1)c1ccco1 44480657 343266831 /nfs/dbraw/zinc/26/68/31/343266831.db2.gz FQQVOPLLYOQMDP-QMMMGPOBSA-N 0 3 165.236 2.483 20 0 AEADHN Cc1cc(CNCC(C)(C)C)on1 44987426 343270044 /nfs/dbraw/zinc/27/00/44/343270044.db2.gz UHKCPTONXPMWJA-UHFFFAOYSA-N 0 3 182.267 2.119 20 0 AEADHN CC1(NCc2cc[nH]n2)CCCCC1 45042729 343270509 /nfs/dbraw/zinc/27/05/09/343270509.db2.gz DYVBKTBSCVFUHW-UHFFFAOYSA-N 0 3 193.294 2.222 20 0 AEADHN c1coc(CNCCC2CC2)c1 49730512 343276446 /nfs/dbraw/zinc/27/64/46/343276446.db2.gz LPHUTSVHXSQOPB-UHFFFAOYSA-N 0 3 165.236 2.169 20 0 AEADHN CCc1csc(C2(N)CCCC2)n1 50181965 343279300 /nfs/dbraw/zinc/27/93/00/343279300.db2.gz AZJICQFOBCBBMS-UHFFFAOYSA-N 0 3 196.319 2.434 20 0 AEADHN Cc1cccnc1CNC1CCCC1 51794266 343293450 /nfs/dbraw/zinc/29/34/50/343293450.db2.gz JOFHGJJXSASOIS-UHFFFAOYSA-N 0 3 190.290 2.422 20 0 AEADHN Cc1cccnc1CNC(C)(C)C 51794246 343293749 /nfs/dbraw/zinc/29/37/49/343293749.db2.gz XKOXWMOFYZYNNC-UHFFFAOYSA-N 0 3 178.279 2.278 20 0 AEADHN CCCCCNCc1nccn1CC 51920701 343295564 /nfs/dbraw/zinc/29/55/64/343295564.db2.gz WAZFCYUVZYOLGB-UHFFFAOYSA-N 0 3 195.310 2.183 20 0 AEADHN CCn1ccnc1CNCC(C)(C)C 51923997 343295600 /nfs/dbraw/zinc/29/56/00/343295600.db2.gz AUNKHIVBYMFLQE-UHFFFAOYSA-N 0 3 195.310 2.039 20 0 AEADHN Cc1ccc(CNC2CCC2)o1 52206929 343302123 /nfs/dbraw/zinc/30/21/23/343302123.db2.gz DJJMPFSHECNWEC-UHFFFAOYSA-N 0 3 165.236 2.230 20 0 AEADHN Cc1nc(C)c(CNC2CC2)s1 52330832 343306217 /nfs/dbraw/zinc/30/62/17/343306217.db2.gz UVGFAPXVCZBWBA-UHFFFAOYSA-N 0 3 182.292 2.012 20 0 AEADHN Cc1ccc(CN[C@H]2CCSC2)o1 53035744 343311848 /nfs/dbraw/zinc/31/18/48/343311848.db2.gz FQIYMAPGPSOCCX-VIFPVBQESA-N 0 3 197.303 2.183 20 0 AEADHN CSCCCNCc1ccc(C)o1 53036148 343312441 /nfs/dbraw/zinc/31/24/41/343312441.db2.gz QHCZFJSDKLSFJK-UHFFFAOYSA-N 0 3 199.319 2.431 20 0 AEADHN COCC[C@H](C)NCc1ccc(C)o1 53036977 343312446 /nfs/dbraw/zinc/31/24/46/343312446.db2.gz NIFLJUYCHQRQRA-VIFPVBQESA-N 0 3 197.278 2.103 20 0 AEADHN COCC[C@@H](C)NCc1ccc(C)o1 53036979 343312459 /nfs/dbraw/zinc/31/24/59/343312459.db2.gz NIFLJUYCHQRQRA-SECBINFHSA-N 0 3 197.278 2.103 20 0 AEADHN CS[C@H](C)CNCc1ccco1 53646748 343314765 /nfs/dbraw/zinc/31/47/65/343314765.db2.gz ZHSDNFMFAMVPIU-MRVPVSSYSA-N 0 3 185.292 2.121 20 0 AEADHN CS[C@@H](C)CNCc1ccco1 53646746 343314933 /nfs/dbraw/zinc/31/49/33/343314933.db2.gz ZHSDNFMFAMVPIU-QMMMGPOBSA-N 0 3 185.292 2.121 20 0 AEADHN Cc1cnc(CNC(C)(C)C)s1 54158984 343318966 /nfs/dbraw/zinc/31/89/66/343318966.db2.gz SRKSZMLKGLHHQI-UHFFFAOYSA-N 0 3 184.308 2.340 20 0 AEADHN CC1(C)C[C@@H]1NCc1cncs1 54788417 343328819 /nfs/dbraw/zinc/32/88/19/343328819.db2.gz XMGJSAPNYAWQOV-QMMMGPOBSA-N 0 3 182.292 2.031 20 0 AEADHN COc1ccccc1[C@H]1CCN(C)C1 60313475 343353262 /nfs/dbraw/zinc/35/32/62/343353262.db2.gz YILRVBWEJWRVGR-JTQLQIEISA-N 0 3 191.274 2.114 20 0 AEADHN COc1ccccc1[C@@H]1CCN(C)C1 60313476 343353419 /nfs/dbraw/zinc/35/34/19/343353419.db2.gz YILRVBWEJWRVGR-SNVBAGLBSA-N 0 3 191.274 2.114 20 0 AEADHN Cc1ccc([C@H](N)C2CCOCC2)o1 61672216 343358453 /nfs/dbraw/zinc/35/84/53/343358453.db2.gz OIKWXYCLFXTAPS-LLVKDONJSA-N 0 3 195.262 2.014 20 0 AEADHN Cc1ccc([C@@H](N)C2CCOCC2)o1 61672217 343358475 /nfs/dbraw/zinc/35/84/75/343358475.db2.gz OIKWXYCLFXTAPS-NSHDSACASA-N 0 3 195.262 2.014 20 0 AEADHN Cc1cc2ccccc2nc1CN 62566681 343375277 /nfs/dbraw/zinc/37/52/77/343375277.db2.gz BREJNLQOGBKWDT-UHFFFAOYSA-N 0 3 172.231 2.002 20 0 AEADHN Cc1cccc2cc(CN)cnc12 62566678 343375425 /nfs/dbraw/zinc/37/54/25/343375425.db2.gz VJNRJEAZRAHLEL-UHFFFAOYSA-N 0 3 172.231 2.002 20 0 AEADHN CCCN1CCNCc2ccccc21 62567531 343376185 /nfs/dbraw/zinc/37/61/85/343376185.db2.gz QOVYXBRZSISYAR-UHFFFAOYSA-N 0 3 190.290 2.006 20 0 AEADHN Cc1ccc(F)cc1CNC1CC1 62665599 343377198 /nfs/dbraw/zinc/37/71/98/343377198.db2.gz JMFDIIASEJLUKL-UHFFFAOYSA-N 0 3 179.238 2.386 20 0 AEADHN CCc1ccc(CNCCSC)o1 68995463 343420078 /nfs/dbraw/zinc/42/00/78/343420078.db2.gz SEUMHIQJQQRTQG-UHFFFAOYSA-N 0 3 199.319 2.295 20 0 AEADHN CCNCc1ccc(F)c(F)c1F 69049547 343424243 /nfs/dbraw/zinc/42/42/43/343424243.db2.gz XGIBAIOSZQYOKO-UHFFFAOYSA-N 0 3 189.180 2.213 20 0 AEADHN Cc1ccc(-c2cnccc2N)cn1 69841236 343444533 /nfs/dbraw/zinc/44/45/33/343444533.db2.gz XTANXIBYQZDURP-UHFFFAOYSA-N 0 3 185.230 2.034 20 0 AEADHN CCCC[C@H](N)c1ccoc1 69946301 343459967 /nfs/dbraw/zinc/45/99/67/343459967.db2.gz ANALUDKFAODKLD-VIFPVBQESA-N 0 3 153.225 2.470 20 0 AEADHN CCCC[C@@H](N)c1ccoc1 69946304 343460050 /nfs/dbraw/zinc/46/00/50/343460050.db2.gz ANALUDKFAODKLD-SECBINFHSA-N 0 3 153.225 2.470 20 0 AEADHN CCC[C@@H](N)c1ccoc1 70079481 343473861 /nfs/dbraw/zinc/47/38/61/343473861.db2.gz BENHEBGKNYZQOR-MRVPVSSYSA-N 0 3 139.198 2.080 20 0 AEADHN CCC[C@H](N)c1ccoc1 70079480 343474029 /nfs/dbraw/zinc/47/40/29/343474029.db2.gz BENHEBGKNYZQOR-QMMMGPOBSA-N 0 3 139.198 2.080 20 0 AEADHN CSCCNCc1ccc(F)cc1 70184002 343476869 /nfs/dbraw/zinc/47/68/69/343476869.db2.gz OFIIBNHNJAPNTB-UHFFFAOYSA-N 0 3 199.294 2.278 20 0 AEADHN CSCCN[C@H](C)c1ccccn1 70184536 343477069 /nfs/dbraw/zinc/47/70/69/343477069.db2.gz OJMTZCXOZKGLSO-SECBINFHSA-N 0 3 196.319 2.095 20 0 AEADHN CSCCN[C@H](C)c1ccncc1 70184538 343477085 /nfs/dbraw/zinc/47/70/85/343477085.db2.gz BDUOHKWTSLPQOP-SECBINFHSA-N 0 3 196.319 2.095 20 0 AEADHN CSCCN[C@@H](C)c1cccnc1 70184599 343477221 /nfs/dbraw/zinc/47/72/21/343477221.db2.gz AKMBVMYYVMQJTN-VIFPVBQESA-N 0 3 196.319 2.095 20 0 AEADHN CSCCNCc1ccccc1F 70184022 343477305 /nfs/dbraw/zinc/47/73/05/343477305.db2.gz RILGKINTYDXBER-UHFFFAOYSA-N 0 3 199.294 2.278 20 0 AEADHN CSCCNCc1cccc(F)c1 70184023 343477318 /nfs/dbraw/zinc/47/73/18/343477318.db2.gz CONYXQJZYPWBEQ-UHFFFAOYSA-N 0 3 199.294 2.278 20 0 AEADHN CSCCN[C@H](C)c1cccnc1 70184600 343477358 /nfs/dbraw/zinc/47/73/58/343477358.db2.gz AKMBVMYYVMQJTN-SECBINFHSA-N 0 3 196.319 2.095 20 0 AEADHN CSCCNCc1ccc(C)o1 70184142 343477408 /nfs/dbraw/zinc/47/74/08/343477408.db2.gz YEJGSZXODRYTRP-UHFFFAOYSA-N 0 3 185.292 2.041 20 0 AEADHN CSCCN[C@@H](C)c1ccccn1 70184535 343477443 /nfs/dbraw/zinc/47/74/43/343477443.db2.gz OJMTZCXOZKGLSO-VIFPVBQESA-N 0 3 196.319 2.095 20 0 AEADHN CSCCNCc1ccsc1 70184146 343477459 /nfs/dbraw/zinc/47/74/59/343477459.db2.gz UDRNSVYAPZWJQO-UHFFFAOYSA-N 0 3 187.333 2.201 20 0 AEADHN CSCCN[C@@H](C)c1ccncc1 70184537 343477517 /nfs/dbraw/zinc/47/75/17/343477517.db2.gz BDUOHKWTSLPQOP-VIFPVBQESA-N 0 3 196.319 2.095 20 0 AEADHN CC(=O)CN1CCC[C@H](C(C)C)CC1 70613931 343502865 /nfs/dbraw/zinc/50/28/65/343502865.db2.gz LHHICMHJKFILGM-LBPRGKRZSA-N 0 3 197.322 2.334 20 0 AEADHN CC(=O)CN1CCC[C@@H](C(C)C)CC1 70613930 343503075 /nfs/dbraw/zinc/50/30/75/343503075.db2.gz LHHICMHJKFILGM-GFCCVEGCSA-N 0 3 197.322 2.334 20 0 AEADHN C[C@H](NCc1ncc[nH]1)C1CCCC1 70621718 343505029 /nfs/dbraw/zinc/50/50/29/343505029.db2.gz VKUGTUFHMJFKID-VIFPVBQESA-N 0 3 193.294 2.078 20 0 AEADHN C[C@@H](NCc1ncc[nH]1)C1CCCC1 70621719 343505223 /nfs/dbraw/zinc/50/52/23/343505223.db2.gz VKUGTUFHMJFKID-SECBINFHSA-N 0 3 193.294 2.078 20 0 AEADHN CC[C@@H](COC)NCc1ccsc1 70624429 343506656 /nfs/dbraw/zinc/50/66/56/343506656.db2.gz YIRPYOQSEDQYBQ-JTQLQIEISA-N 0 3 199.319 2.263 20 0 AEADHN CC[C@H](COC)NCc1ccsc1 70624430 343506779 /nfs/dbraw/zinc/50/67/79/343506779.db2.gz YIRPYOQSEDQYBQ-SNVBAGLBSA-N 0 3 199.319 2.263 20 0 AEADHN CCn1cc([C@H]2CCC[C@@H](C)N2)cn1 70632774 343511222 /nfs/dbraw/zinc/51/12/22/343511222.db2.gz MOMNIYDAEJNLHY-MWLCHTKSSA-N 0 3 193.294 2.106 20 0 AEADHN CCn1cc([C@H]2CCC[C@H](C)N2)cn1 70632771 343511292 /nfs/dbraw/zinc/51/12/92/343511292.db2.gz MOMNIYDAEJNLHY-GXSJLCMTSA-N 0 3 193.294 2.106 20 0 AEADHN CCn1cc([C@@H]2CCC[C@@H](C)N2)cn1 70632773 343511427 /nfs/dbraw/zinc/51/14/27/343511427.db2.gz MOMNIYDAEJNLHY-KOLCDFICSA-N 0 3 193.294 2.106 20 0 AEADHN CCn1cc([C@@H]2CCC[C@H](C)N2)cn1 70632770 343511475 /nfs/dbraw/zinc/51/14/75/343511475.db2.gz MOMNIYDAEJNLHY-ONGXEEELSA-N 0 3 193.294 2.106 20 0 AEADHN C[C@H]1CC[C@@H](NCc2ccccn2)C1 70642796 343514389 /nfs/dbraw/zinc/51/43/89/343514389.db2.gz MTHGFIQOBGRVRS-WDEREUQCSA-N 0 3 190.290 2.360 20 0 AEADHN C[C@H]1CC[C@H](NCc2ccccn2)C1 70642794 343514686 /nfs/dbraw/zinc/51/46/86/343514686.db2.gz MTHGFIQOBGRVRS-QWRGUYRKSA-N 0 3 190.290 2.360 20 0 AEADHN Cc1cc(CN[C@H]2CC[C@H](C)C2)no1 70643740 343515070 /nfs/dbraw/zinc/51/50/70/343515070.db2.gz OTHRLPISURJKBS-WPRPVWTQSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1cc(CN[C@@H]2CC[C@H](C)C2)no1 70643739 343515085 /nfs/dbraw/zinc/51/50/85/343515085.db2.gz OTHRLPISURJKBS-WCBMZHEXSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1cc(CN[C@@H]2CC[C@@H](C)C2)no1 70643741 343515091 /nfs/dbraw/zinc/51/50/91/343515091.db2.gz OTHRLPISURJKBS-PSASIEDQSA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@H](C)CNCc1c(C)noc1C 70797249 343532145 /nfs/dbraw/zinc/53/21/45/343532145.db2.gz VRFZTMFFMFNGKY-QMMMGPOBSA-N 0 3 196.294 2.427 20 0 AEADHN Cc1ccc([C@H](C)N[C@H]2CCOC2)o1 70966067 343545326 /nfs/dbraw/zinc/54/53/26/343545326.db2.gz PQLAZUNSLFXHMM-UWVGGRQHSA-N 0 3 195.262 2.028 20 0 AEADHN Cc1ccc([C@H](C)N[C@@H]2CCOC2)o1 70966060 343545352 /nfs/dbraw/zinc/54/53/52/343545352.db2.gz PQLAZUNSLFXHMM-VHSXEESVSA-N 0 3 195.262 2.028 20 0 AEADHN Cc1ccc([C@@H](C)N[C@@H]2CCOC2)o1 70966058 343545395 /nfs/dbraw/zinc/54/53/95/343545395.db2.gz PQLAZUNSLFXHMM-NXEZZACHSA-N 0 3 195.262 2.028 20 0 AEADHN C[C@H](N[C@H]1CCOC1)c1ccsc1 70969456 343545588 /nfs/dbraw/zinc/54/55/88/343545588.db2.gz BNCMSXGGJFYVKC-WPRPVWTQSA-N 0 3 197.303 2.188 20 0 AEADHN C[C@@H](N[C@H]1CCOC1)c1ccsc1 70969459 343545659 /nfs/dbraw/zinc/54/56/59/343545659.db2.gz BNCMSXGGJFYVKC-SCZZXKLOSA-N 0 3 197.303 2.188 20 0 AEADHN C[C@H](N[C@@H]1CCOC1)c1ccsc1 70969452 343545918 /nfs/dbraw/zinc/54/59/18/343545918.db2.gz BNCMSXGGJFYVKC-WCBMZHEXSA-N 0 3 197.303 2.188 20 0 AEADHN C[C@@H](N[C@@H]1CCOC1)c1ccsc1 70969454 343545947 /nfs/dbraw/zinc/54/59/47/343545947.db2.gz BNCMSXGGJFYVKC-PSASIEDQSA-N 0 3 197.303 2.188 20 0 AEADHN CC[C@H](N)c1cccc(OC)c1OC 74244370 343571722 /nfs/dbraw/zinc/57/17/22/343571722.db2.gz QYIJLGSUJKQBOC-VIFPVBQESA-N 0 3 195.262 2.114 20 0 AEADHN C1=CC[C@@H](NCc2nccs2)CC1 80122497 343591155 /nfs/dbraw/zinc/59/11/55/343591155.db2.gz IJGYMNXHIYQPBY-SECBINFHSA-N 0 3 194.303 2.341 20 0 AEADHN C1=CC[C@H](NCc2nccs2)CC1 80122493 343591289 /nfs/dbraw/zinc/59/12/89/343591289.db2.gz IJGYMNXHIYQPBY-VIFPVBQESA-N 0 3 194.303 2.341 20 0 AEADHN FC(F)(F)CCN1CCCCC1 81172743 343593128 /nfs/dbraw/zinc/59/31/28/343593128.db2.gz PLZIDMCVJZLNIE-UHFFFAOYSA-N 0 3 181.201 2.425 20 0 AEADHN CCC(CC)NCc1ccc(CO)o1 81546729 343593617 /nfs/dbraw/zinc/59/36/17/343593617.db2.gz NQNQMIMAGZFSGB-UHFFFAOYSA-N 0 3 197.278 2.050 20 0 AEADHN CCC(C)(C)NCc1ccc(CO)o1 81546720 343593499 /nfs/dbraw/zinc/59/34/99/343593499.db2.gz KOUFHECUPZVXLX-UHFFFAOYSA-N 0 3 197.278 2.050 20 0 AEADHN CCC[C@H](C)NCc1ccc(CO)o1 81546771 343593638 /nfs/dbraw/zinc/59/36/38/343593638.db2.gz UDZPMKJEGNZPIC-VIFPVBQESA-N 0 3 197.278 2.050 20 0 AEADHN CCC[C@@H](C)NCc1ccc(CO)o1 81546769 343593697 /nfs/dbraw/zinc/59/36/97/343593697.db2.gz UDZPMKJEGNZPIC-SECBINFHSA-N 0 3 197.278 2.050 20 0 AEADHN Cc1ccc2ncc(CN)cc2c1 82162717 343595426 /nfs/dbraw/zinc/59/54/26/343595426.db2.gz LUUXYSUDNNKSNI-UHFFFAOYSA-N 0 3 172.231 2.002 20 0 AEADHN c1csc(CNCC2CCC2)n1 82394665 343600701 /nfs/dbraw/zinc/60/07/01/343600701.db2.gz UWAQUNAAWBMRLC-UHFFFAOYSA-N 0 3 182.292 2.033 20 0 AEADHN CCC(C)(C)NCc1nccs1 82404008 343601979 /nfs/dbraw/zinc/60/19/79/343601979.db2.gz WPQKRNIFFBLQSA-UHFFFAOYSA-N 0 3 184.308 2.421 20 0 AEADHN CC1(CNCc2ncc[nH]2)CCCC1 82619026 343608024 /nfs/dbraw/zinc/60/80/24/343608024.db2.gz XCHDMAGHHWPJKM-UHFFFAOYSA-N 0 3 193.294 2.080 20 0 AEADHN CC1(CNCc2cc[nH]n2)CCCC1 82619014 343608144 /nfs/dbraw/zinc/60/81/44/343608144.db2.gz SCVFLKFQDUZBAU-UHFFFAOYSA-N 0 3 193.294 2.080 20 0 AEADHN Cc1nc(CN)cc2ccccc12 82867761 343614483 /nfs/dbraw/zinc/61/44/83/343614483.db2.gz JVONDARQVSMQBF-UHFFFAOYSA-N 0 3 172.231 2.002 20 0 AEADHN Cc1cc(C2(N)CCCCC2)on1 82872831 343614663 /nfs/dbraw/zinc/61/46/63/343614663.db2.gz DSIIIRAJJNVRGD-UHFFFAOYSA-N 0 3 180.251 2.101 20 0 AEADHN Cc1ccc([C@H](C)NCC[C@H](C)O)o1 82994015 343616211 /nfs/dbraw/zinc/61/62/11/343616211.db2.gz MUZQQLYKHKWAGM-WPRPVWTQSA-N 0 3 197.278 2.010 20 0 AEADHN Cc1ccc([C@H](C)NCC[C@@H](C)O)o1 82994011 343616223 /nfs/dbraw/zinc/61/62/23/343616223.db2.gz MUZQQLYKHKWAGM-SCZZXKLOSA-N 0 3 197.278 2.010 20 0 AEADHN Cc1ccc([C@@H](C)NCC[C@@H](C)O)o1 82994009 343616304 /nfs/dbraw/zinc/61/63/04/343616304.db2.gz MUZQQLYKHKWAGM-PSASIEDQSA-N 0 3 197.278 2.010 20 0 AEADHN CC(C)c1cc(CN)cs1 83268806 343618386 /nfs/dbraw/zinc/61/83/86/343618386.db2.gz MMKGXROEKBZRPI-UHFFFAOYSA-N 0 3 155.266 2.330 20 0 AEADHN Cc1cccc(CNC2CC2)c1F 83340415 343618680 /nfs/dbraw/zinc/61/86/80/343618680.db2.gz ZZFABORZRMEUBS-UHFFFAOYSA-N 0 3 179.238 2.386 20 0 AEADHN CCCNCc1ccncc1Cl 83340987 343618789 /nfs/dbraw/zinc/61/87/89/343618789.db2.gz OWCNIQGGBJCZFE-UHFFFAOYSA-N 0 3 184.670 2.235 20 0 AEADHN COC[C@H](NCc1ccco1)C(C)C 83398841 343619158 /nfs/dbraw/zinc/61/91/58/343619158.db2.gz HVCSIDBHDKAYMK-NSHDSACASA-N 0 3 197.278 2.040 20 0 AEADHN CCC(CC)(CC)NCc1cc[nH]n1 83387857 343619220 /nfs/dbraw/zinc/61/92/20/343619220.db2.gz WMAVLUBHHNYZAQ-UHFFFAOYSA-N 0 3 195.310 2.468 20 0 AEADHN CCC(CC)(CC)NCc1ncc[nH]1 83387858 343619288 /nfs/dbraw/zinc/61/92/88/343619288.db2.gz NDVMEFJQAAZGAD-UHFFFAOYSA-N 0 3 195.310 2.468 20 0 AEADHN COC[C@@H](NCc1ccoc1)C(C)C 83398556 343619353 /nfs/dbraw/zinc/61/93/53/343619353.db2.gz IHHDPPHRGFUPKG-LLVKDONJSA-N 0 3 197.278 2.040 20 0 AEADHN COC[C@@H](NCc1ccco1)C(C)C 83398839 343619427 /nfs/dbraw/zinc/61/94/27/343619427.db2.gz HVCSIDBHDKAYMK-LLVKDONJSA-N 0 3 197.278 2.040 20 0 AEADHN C[C@@H](NCCF)c1ccccc1 83823696 343624682 /nfs/dbraw/zinc/62/46/82/343624682.db2.gz PRJMNOAUSOXYFB-SECBINFHSA-N 0 3 167.227 2.307 20 0 AEADHN CC[C@@H](C)C[C@H](C)NCc1cc[nH]n1 83864331 343626623 /nfs/dbraw/zinc/62/66/23/343626623.db2.gz LVWVCVAGIAZXAW-ZJUUUORDSA-N 0 3 195.310 2.324 20 0 AEADHN CC[C@@H](C)C[C@H](C)NCc1ncc[nH]1 83863741 343626781 /nfs/dbraw/zinc/62/67/81/343626781.db2.gz LTQAEAPSCDMPCE-ZJUUUORDSA-N 0 3 195.310 2.324 20 0 AEADHN CC[C@H](C)C[C@@H](C)NCc1ncc[nH]1 83863740 343626796 /nfs/dbraw/zinc/62/67/96/343626796.db2.gz LTQAEAPSCDMPCE-VHSXEESVSA-N 0 3 195.310 2.324 20 0 AEADHN CC[C@H](C)C[C@@H](C)NCc1cc[nH]n1 83864330 343626831 /nfs/dbraw/zinc/62/68/31/343626831.db2.gz LVWVCVAGIAZXAW-VHSXEESVSA-N 0 3 195.310 2.324 20 0 AEADHN CC[C@@H](C)C[C@@H](C)NCc1cc[nH]n1 83864329 343626898 /nfs/dbraw/zinc/62/68/98/343626898.db2.gz LVWVCVAGIAZXAW-NXEZZACHSA-N 0 3 195.310 2.324 20 0 AEADHN CC[C@H](C)C[C@H](C)NCc1ncc[nH]1 83863742 343626930 /nfs/dbraw/zinc/62/69/30/343626930.db2.gz LTQAEAPSCDMPCE-UWVGGRQHSA-N 0 3 195.310 2.324 20 0 AEADHN CC[C@H](C)C[C@H](C)NCc1cc[nH]n1 83864332 343626960 /nfs/dbraw/zinc/62/69/60/343626960.db2.gz LVWVCVAGIAZXAW-UWVGGRQHSA-N 0 3 195.310 2.324 20 0 AEADHN CC[C@@H](C)C[C@@H](C)NCc1ncc[nH]1 83863739 343626976 /nfs/dbraw/zinc/62/69/76/343626976.db2.gz LTQAEAPSCDMPCE-NXEZZACHSA-N 0 3 195.310 2.324 20 0 AEADHN Cc1noc(C)c1CNCCC1CC1 83893687 343627180 /nfs/dbraw/zinc/62/71/80/343627180.db2.gz NXMGIOGTRPMPRE-UHFFFAOYSA-N 0 3 194.278 2.181 20 0 AEADHN c1nc(CNCCC2CC2)cs1 83893302 343627219 /nfs/dbraw/zinc/62/72/19/343627219.db2.gz OMINHJXQLNPTQE-UHFFFAOYSA-N 0 3 182.292 2.033 20 0 AEADHN Cc1ccc(CNCCC2CC2)o1 83893761 343627453 /nfs/dbraw/zinc/62/74/53/343627453.db2.gz WPTIOEZZNCKTOV-UHFFFAOYSA-N 0 3 179.263 2.478 20 0 AEADHN c1csc(CNCCC2CC2)n1 83894021 343627671 /nfs/dbraw/zinc/62/76/71/343627671.db2.gz PCLRUUJNNXMKSO-UHFFFAOYSA-N 0 3 182.292 2.033 20 0 AEADHN Cc1nc(CNCCC2CC2)cs1 83893997 343627705 /nfs/dbraw/zinc/62/77/05/343627705.db2.gz OBVMLVSPBNYXGM-UHFFFAOYSA-N 0 3 196.319 2.341 20 0 AEADHN C1=CC[C@H](NCc2cncs2)CC1 84067029 343630667 /nfs/dbraw/zinc/63/06/67/343630667.db2.gz PLVOTTDKUXCCLB-VIFPVBQESA-N 0 3 194.303 2.341 20 0 AEADHN C1=CC[C@@H](NCc2cncs2)CC1 84067030 343630745 /nfs/dbraw/zinc/63/07/45/343630745.db2.gz PLVOTTDKUXCCLB-SECBINFHSA-N 0 3 194.303 2.341 20 0 AEADHN Cc1ncsc1CN[C@H]1CC1(C)C 84149365 343631745 /nfs/dbraw/zinc/63/17/45/343631745.db2.gz HIAUJBBNYLMIDC-VIFPVBQESA-N 0 3 196.319 2.340 20 0 AEADHN CC(C)(C)[C@@H]1NCCn2cccc21 84445084 343636994 /nfs/dbraw/zinc/63/69/94/343636994.db2.gz ZOLSCZYFIUPBNC-SNVBAGLBSA-N 0 3 178.279 2.179 20 0 AEADHN CC(C)(C)[C@H]1NCCn2cccc21 84445082 343637157 /nfs/dbraw/zinc/63/71/57/343637157.db2.gz ZOLSCZYFIUPBNC-JTQLQIEISA-N 0 3 178.279 2.179 20 0 AEADHN CC1(C)CCC[C@@H]1NCc1cc[nH]n1 86831066 343655044 /nfs/dbraw/zinc/65/50/44/343655044.db2.gz JVJLJAJDAXNCCD-JTQLQIEISA-N 0 3 193.294 2.078 20 0 AEADHN CC1(C)CCC[C@H]1NCc1ncc[nH]1 86831141 343655062 /nfs/dbraw/zinc/65/50/62/343655062.db2.gz BVERUSBDRLZUIU-SECBINFHSA-N 0 3 193.294 2.078 20 0 AEADHN CC1(C)CCC[C@H]1NCc1cc[nH]n1 86831067 343655281 /nfs/dbraw/zinc/65/52/81/343655281.db2.gz JVJLJAJDAXNCCD-SNVBAGLBSA-N 0 3 193.294 2.078 20 0 AEADHN CC1(C)CCC[C@@H]1NCc1ncc[nH]1 86831140 343655301 /nfs/dbraw/zinc/65/53/01/343655301.db2.gz BVERUSBDRLZUIU-VIFPVBQESA-N 0 3 193.294 2.078 20 0 AEADHN C[C@H](N)c1nc2c(s1)CCC2(C)C 86857590 343656124 /nfs/dbraw/zinc/65/61/24/343656124.db2.gz YIAGOBLSLIRAPQ-LURJTMIESA-N 0 3 196.319 2.387 20 0 AEADHN CNCc1nc2c(s1)CCC2(C)C 86857650 343656203 /nfs/dbraw/zinc/65/62/03/343656203.db2.gz JFVYIFHEIAPSQX-UHFFFAOYSA-N 0 3 196.319 2.086 20 0 AEADHN C[C@H](c1ccncc1)N1CCCC1 86863056 343656239 /nfs/dbraw/zinc/65/62/39/343656239.db2.gz MYUPMEJAHLDQDM-SNVBAGLBSA-N 0 3 176.263 2.238 20 0 AEADHN C[C@@H]1C[C@H](NCc2ccco2)CS1 86933954 343657229 /nfs/dbraw/zinc/65/72/29/343657229.db2.gz CAFGHHWRLGRVGI-BDAKNGLRSA-N 0 3 197.303 2.263 20 0 AEADHN C[C@@H]1C[C@@H](NCc2ccco2)CS1 86933956 343657304 /nfs/dbraw/zinc/65/73/04/343657304.db2.gz CAFGHHWRLGRVGI-RKDXNWHRSA-N 0 3 197.303 2.263 20 0 AEADHN C[C@H]1C[C@H](NCc2ccco2)CS1 86933955 343657519 /nfs/dbraw/zinc/65/75/19/343657519.db2.gz CAFGHHWRLGRVGI-IUCAKERBSA-N 0 3 197.303 2.263 20 0 AEADHN CSCCN[C@@H](C)c1ccoc1 87290270 343659375 /nfs/dbraw/zinc/65/93/75/343659375.db2.gz VNUMPHYRESQMPX-QMMMGPOBSA-N 0 3 185.292 2.293 20 0 AEADHN CCN[C@@H](C)c1ccc(Cl)cn1 87286251 343659475 /nfs/dbraw/zinc/65/94/75/343659475.db2.gz JPTPELFZMIAWNJ-ZETCQYMHSA-N 0 3 184.670 2.406 20 0 AEADHN CCN[C@H](C)c1ccc(Cl)cn1 87286252 343659500 /nfs/dbraw/zinc/65/95/00/343659500.db2.gz JPTPELFZMIAWNJ-SSDOTTSWSA-N 0 3 184.670 2.406 20 0 AEADHN CSCCN[C@H](C)c1ccoc1 87290271 343659553 /nfs/dbraw/zinc/65/95/53/343659553.db2.gz VNUMPHYRESQMPX-MRVPVSSYSA-N 0 3 185.292 2.293 20 0 AEADHN CC1(C)CC[C@H](NCc2cc[nH]n2)C1 87771295 343663846 /nfs/dbraw/zinc/66/38/46/343663846.db2.gz FZHIKVOEMJUNOV-VIFPVBQESA-N 0 3 193.294 2.078 20 0 AEADHN FCCN[C@H]1CCc2ccccc2C1 87775066 343663857 /nfs/dbraw/zinc/66/38/57/343663857.db2.gz YKVVWRJSPGBMSQ-LBPRGKRZSA-N 0 3 193.265 2.103 20 0 AEADHN FCCN[C@@H]1CCc2ccccc2C1 87775067 343663891 /nfs/dbraw/zinc/66/38/91/343663891.db2.gz YKVVWRJSPGBMSQ-GFCCVEGCSA-N 0 3 193.265 2.103 20 0 AEADHN CC1(C)CC[C@@H](NCc2ncc[nH]2)C1 87772012 343663897 /nfs/dbraw/zinc/66/38/97/343663897.db2.gz ZEUSQSHBNPFXSG-SECBINFHSA-N 0 3 193.294 2.078 20 0 AEADHN C[C@H](NCCF)c1ccccc1 87774541 343663964 /nfs/dbraw/zinc/66/39/64/343663964.db2.gz PRJMNOAUSOXYFB-VIFPVBQESA-N 0 3 167.227 2.307 20 0 AEADHN FCCN[C@H]1CCc2ccccc21 87774788 343663971 /nfs/dbraw/zinc/66/39/71/343663971.db2.gz NKBDPJVAZBMPKL-NSHDSACASA-N 0 3 179.238 2.233 20 0 AEADHN FCCN[C@@H]1CCc2ccccc21 87774789 343663975 /nfs/dbraw/zinc/66/39/75/343663975.db2.gz NKBDPJVAZBMPKL-LLVKDONJSA-N 0 3 179.238 2.233 20 0 AEADHN CC1(C)CC[C@H](NCc2ncc[nH]2)C1 87772010 343663992 /nfs/dbraw/zinc/66/39/92/343663992.db2.gz ZEUSQSHBNPFXSG-VIFPVBQESA-N 0 3 193.294 2.078 20 0 AEADHN CC1(C)CC[C@@H](NCc2cc[nH]n2)C1 87771297 343664081 /nfs/dbraw/zinc/66/40/81/343664081.db2.gz FZHIKVOEMJUNOV-SECBINFHSA-N 0 3 193.294 2.078 20 0 AEADHN Cc1ccc(CNC2CCC2)nc1 87782476 343664325 /nfs/dbraw/zinc/66/43/25/343664325.db2.gz AFTDJBCNLPVJBI-UHFFFAOYSA-N 0 3 176.263 2.032 20 0 AEADHN Cc1ccc(CN[C@H]2CC2(C)C)nc1 87782281 343664328 /nfs/dbraw/zinc/66/43/28/343664328.db2.gz KRKGIPCZHOLRKV-NSHDSACASA-N 0 3 190.290 2.278 20 0 AEADHN Cc1ccc(CNC2CCCC2)nc1 87782059 343664496 /nfs/dbraw/zinc/66/44/96/343664496.db2.gz GISDEXZPNBXGTL-UHFFFAOYSA-N 0 3 190.290 2.422 20 0 AEADHN CC[C@H](C)Nc1cc(NC)nc(C)n1 87806928 343665029 /nfs/dbraw/zinc/66/50/29/343665029.db2.gz CGFGOYZPHFMAGV-ZETCQYMHSA-N 0 3 194.282 2.037 20 0 AEADHN CC[C@@H](C)Nc1cc(NC)nc(C)n1 87806927 343665243 /nfs/dbraw/zinc/66/52/43/343665243.db2.gz CGFGOYZPHFMAGV-SSDOTTSWSA-N 0 3 194.282 2.037 20 0 AEADHN C[C@H]1CCCC[C@H]1NCc1ccon1 88052683 343667150 /nfs/dbraw/zinc/66/71/50/343667150.db2.gz LIAFSRSRSRYDPS-GXSJLCMTSA-N 0 3 194.278 2.343 20 0 AEADHN CC1(C)CCC[C@@H]1NCc1ccon1 88052704 343667183 /nfs/dbraw/zinc/66/71/83/343667183.db2.gz PVXWAYAVIGWPDI-JTQLQIEISA-N 0 3 194.278 2.343 20 0 AEADHN C[C@H]1CCCC[C@@H]1NCc1ccon1 88052681 343667453 /nfs/dbraw/zinc/66/74/53/343667453.db2.gz LIAFSRSRSRYDPS-ONGXEEELSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@@H]1CCCC[C@@H]1NCc1ccon1 88052680 343667477 /nfs/dbraw/zinc/66/74/77/343667477.db2.gz LIAFSRSRSRYDPS-KOLCDFICSA-N 0 3 194.278 2.343 20 0 AEADHN CC1(C)CCC[C@H]1NCc1ccon1 88052705 343667502 /nfs/dbraw/zinc/66/75/02/343667502.db2.gz PVXWAYAVIGWPDI-SNVBAGLBSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@@H]1CCCC[C@H]1NCc1ccon1 88052682 343667607 /nfs/dbraw/zinc/66/76/07/343667607.db2.gz LIAFSRSRSRYDPS-MWLCHTKSSA-N 0 3 194.278 2.343 20 0 AEADHN CCOCCCCNCc1ccco1 88294278 343670498 /nfs/dbraw/zinc/67/04/98/343670498.db2.gz SBMLFBVQAFQYCV-UHFFFAOYSA-N 0 3 197.278 2.186 20 0 AEADHN CC(C)NCc1c[nH]nc1C(C)(C)C 88330032 343671338 /nfs/dbraw/zinc/67/13/38/343671338.db2.gz DULVIOMQEHLNEU-UHFFFAOYSA-N 0 3 195.310 2.205 20 0 AEADHN Cc1ccc2c(c1)CNCC21CC1 91368604 343678094 /nfs/dbraw/zinc/67/80/94/343678094.db2.gz HYPGESIYIBNYPR-UHFFFAOYSA-N 0 3 173.259 2.130 20 0 in-vitro AEADHN C=CCN[C@](C)(C(C)C)N1CCCC1 96032062 343693288 /nfs/dbraw/zinc/69/32/88/343693288.db2.gz UFEILXIANBAMPR-LBPRGKRZSA-N 0 3 196.338 2.230 20 0 AEADHN C[C@H](CNCc1cc[nH]n1)C(C)(C)C 96610088 343700188 /nfs/dbraw/zinc/70/01/88/343700188.db2.gz BKSOAXJJVXKYDP-SECBINFHSA-N 0 3 195.310 2.182 20 0 AEADHN CN/C(C)=C/c1ccccc1 100543553 343718613 /nfs/dbraw/zinc/71/86/13/343718613.db2.gz LNAJPUKBXPEAJX-CMDGGOBGSA-N 0 3 147.221 2.267 20 0 AEADHN C[C@H]1CC[C@@H](NCc2ncc[nH]2)CC1 106189590 343737612 /nfs/dbraw/zinc/73/76/12/343737612.db2.gz HHYTYAZFTUKJOQ-MGCOHNPYSA-N 0 3 193.294 2.078 20 0 AEADHN COc1cc(CN)c(Cl)cc1C 108370641 343752968 /nfs/dbraw/zinc/75/29/68/343752968.db2.gz YBYZXPRIIDTRFB-UHFFFAOYSA-N 0 3 185.654 2.116 20 0 AEADHN CCC[C@@H](CC)NCc1ccn(C)n1 112838080 343755910 /nfs/dbraw/zinc/75/59/10/343755910.db2.gz XICYSAKICCTJAH-SNVBAGLBSA-N 0 3 195.310 2.088 20 0 AEADHN Cc1ccc(CN2CCCCC2)nc1 112939250 343756133 /nfs/dbraw/zinc/75/61/33/343756133.db2.gz KWUFPRGFQNLFEY-UHFFFAOYSA-N 0 3 190.290 2.376 20 0 AEADHN CCC[C@H](CC)NCc1ccn(C)n1 112838082 343756154 /nfs/dbraw/zinc/75/61/54/343756154.db2.gz XICYSAKICCTJAH-JTQLQIEISA-N 0 3 195.310 2.088 20 0 AEADHN CC[C@@H](C)N(C)Cc1ccccn1 113249981 343757715 /nfs/dbraw/zinc/75/77/15/343757715.db2.gz BIJPOEDAWRLKMV-SNVBAGLBSA-N 0 3 178.279 2.312 20 0 AEADHN Cc1ncccc1CN[C@H]1CC1(C)C 115631550 343767146 /nfs/dbraw/zinc/76/71/46/343767146.db2.gz DJGAZDUQCXJJLZ-NSHDSACASA-N 0 3 190.290 2.278 20 0 AEADHN C[C@@H]1CCN(CCC(F)(F)F)C1 116409466 343769483 /nfs/dbraw/zinc/76/94/83/343769483.db2.gz PUHHKTBWNDEVCS-SSDOTTSWSA-N 0 3 181.201 2.281 20 0 AEADHN C[C@H]1CCN(CCC(F)(F)F)C1 116409469 343769553 /nfs/dbraw/zinc/76/95/53/343769553.db2.gz PUHHKTBWNDEVCS-ZETCQYMHSA-N 0 3 181.201 2.281 20 0 AEADHN CC(C)N(C)Cc1cccc(O)c1 118680877 343776164 /nfs/dbraw/zinc/77/61/64/343776164.db2.gz GFWBCUYSDFRGOM-UHFFFAOYSA-N 0 3 179.263 2.232 20 0 AEADHN CCCC(C)(C)NCc1ncc[nH]1 123162619 343781641 /nfs/dbraw/zinc/78/16/41/343781641.db2.gz FRPFZJSQUOQWPO-UHFFFAOYSA-N 0 3 181.283 2.078 20 0 AEADHN CCCC(C)(C)NCc1cc[nH]n1 123196674 343782389 /nfs/dbraw/zinc/78/23/89/343782389.db2.gz JZTLNYNZNPPACZ-UHFFFAOYSA-N 0 3 181.283 2.078 20 0 AEADHN CCCC(C)(C)NCc1ccn(C)n1 123193051 343782480 /nfs/dbraw/zinc/78/24/80/343782480.db2.gz MRRLSGKPNZWHKY-UHFFFAOYSA-N 0 3 195.310 2.088 20 0 AEADHN Cc1csc(CNC[C@H]2C[C@@H]2C)n1 124318986 343786296 /nfs/dbraw/zinc/78/62/96/343786296.db2.gz VUWIZHVNGYJWMN-IONNQARKSA-N 0 3 196.319 2.197 20 0 AEADHN Cc1csc(CNC[C@@H]2C[C@@H]2C)n1 124318703 343786391 /nfs/dbraw/zinc/78/63/91/343786391.db2.gz VUWIZHVNGYJWMN-CBAPKCEASA-N 0 3 196.319 2.197 20 0 AEADHN Cc1csc(CNC[C@@H]2C[C@H]2C)n1 124319253 343786556 /nfs/dbraw/zinc/78/65/56/343786556.db2.gz VUWIZHVNGYJWMN-APPZFPTMSA-N 0 3 196.319 2.197 20 0 AEADHN Cc1csc(CNC[C@H]2C[C@H]2C)n1 124319504 343786573 /nfs/dbraw/zinc/78/65/73/343786573.db2.gz VUWIZHVNGYJWMN-VXNVDRBHSA-N 0 3 196.319 2.197 20 0 AEADHN CSC[C@H](C)NCc1ccc(C)o1 124987466 343788381 /nfs/dbraw/zinc/78/83/81/343788381.db2.gz BPYZZSBSGSNEOT-QMMMGPOBSA-N 0 3 199.319 2.429 20 0 AEADHN CSC[C@H](C)NCc1ccco1 125016025 343788396 /nfs/dbraw/zinc/78/83/96/343788396.db2.gz XEIRYVUZKIDHIL-QMMMGPOBSA-N 0 3 185.292 2.121 20 0 AEADHN CSC[C@@H](C)NCc1ccco1 125016270 343788459 /nfs/dbraw/zinc/78/84/59/343788459.db2.gz XEIRYVUZKIDHIL-MRVPVSSYSA-N 0 3 185.292 2.121 20 0 AEADHN CCOCCCNCc1occc1C 126603526 343794749 /nfs/dbraw/zinc/79/47/49/343794749.db2.gz NEZKKLGVEOUZKK-UHFFFAOYSA-N 0 3 197.278 2.104 20 0 AEADHN Cc1ccoc1CN[C@H](C)C1CC1 126638597 343794782 /nfs/dbraw/zinc/79/47/82/343794782.db2.gz OSKBZRMERXSIIZ-SECBINFHSA-N 0 3 179.263 2.476 20 0 AEADHN CSCCNCc1occc1C 126624076 343795079 /nfs/dbraw/zinc/79/50/79/343795079.db2.gz WCCDHSWTLMDXGC-UHFFFAOYSA-N 0 3 185.292 2.041 20 0 AEADHN Cc1ccoc1CN[C@@H](C)C1CC1 126638333 343795175 /nfs/dbraw/zinc/79/51/75/343795175.db2.gz OSKBZRMERXSIIZ-VIFPVBQESA-N 0 3 179.263 2.476 20 0 AEADHN Cc1ccoc1CNC[C@H]1C[C@@H]1C 126667373 343795324 /nfs/dbraw/zinc/79/53/24/343795324.db2.gz IRAVVUWZYILJPU-VHSXEESVSA-N 0 3 179.263 2.334 20 0 AEADHN Cc1ccoc1CNC[C@@H]1C[C@H]1C 126667611 343795419 /nfs/dbraw/zinc/79/54/19/343795419.db2.gz IRAVVUWZYILJPU-ZJUUUORDSA-N 0 3 179.263 2.334 20 0 AEADHN COCCCCNCc1occc1C 126682070 343795605 /nfs/dbraw/zinc/79/56/05/343795605.db2.gz OIJJDUIJMUEPNG-UHFFFAOYSA-N 0 3 197.278 2.104 20 0 AEADHN Cc1ccoc1CNC[C@@H]1C[C@@H]1C 126667137 343795682 /nfs/dbraw/zinc/79/56/82/343795682.db2.gz IRAVVUWZYILJPU-UWVGGRQHSA-N 0 3 179.263 2.334 20 0 AEADHN Cc1ccoc1CNCC1CCC1 126727927 343795989 /nfs/dbraw/zinc/79/59/89/343795989.db2.gz PWJGPXDUJCUXCZ-UHFFFAOYSA-N 0 3 179.263 2.478 20 0 AEADHN Cc1ccoc1CN[C@H]1CC1(C)C 126700237 343796060 /nfs/dbraw/zinc/79/60/60/343796060.db2.gz HZQOWCLUGHQGIY-JTQLQIEISA-N 0 3 179.263 2.476 20 0 AEADHN COCC[C@H](C)NCc1occc1C 126740585 343796412 /nfs/dbraw/zinc/79/64/12/343796412.db2.gz XMAUWJRFZXYMMV-JTQLQIEISA-N 0 3 197.278 2.103 20 0 AEADHN COCC(C)(C)NCc1occc1C 126758230 343796536 /nfs/dbraw/zinc/79/65/36/343796536.db2.gz QONMIUCGVUFPRX-UHFFFAOYSA-N 0 3 197.278 2.103 20 0 AEADHN COCC[C@@H](C)NCc1occc1C 126740838 343796631 /nfs/dbraw/zinc/79/66/31/343796631.db2.gz XMAUWJRFZXYMMV-SNVBAGLBSA-N 0 3 197.278 2.103 20 0 AEADHN CCOC[C@@H](C)NCc1occc1C 126766753 343796794 /nfs/dbraw/zinc/79/67/94/343796794.db2.gz DSUZBSBOMBELKC-SNVBAGLBSA-N 0 3 197.278 2.103 20 0 AEADHN CCOC[C@H](C)NCc1occc1C 126766956 343796859 /nfs/dbraw/zinc/79/68/59/343796859.db2.gz DSUZBSBOMBELKC-JTQLQIEISA-N 0 3 197.278 2.103 20 0 AEADHN Cc1ccoc1CNC1CCC1 126788734 343797364 /nfs/dbraw/zinc/79/73/64/343797364.db2.gz JQDJNTJSNVNZMQ-UHFFFAOYSA-N 0 3 165.236 2.230 20 0 AEADHN CSCCCNCc1occc1C 126902133 343799781 /nfs/dbraw/zinc/79/97/81/343799781.db2.gz YIGBTOZVPLIJFE-UHFFFAOYSA-N 0 3 199.319 2.431 20 0 AEADHN CSC[C@@H](C)NCc1occc1C 126918365 343800213 /nfs/dbraw/zinc/80/02/13/343800213.db2.gz RLMUJPXXLRTBAO-SECBINFHSA-N 0 3 199.319 2.429 20 0 AEADHN Cc1ncc([C@@H](C)NC2CC2)s1 126943590 343800810 /nfs/dbraw/zinc/80/08/10/343800810.db2.gz BKFTWHMYWDGEGR-ZCFIWIBFSA-N 0 3 182.292 2.265 20 0 AEADHN Cc1ncc([C@H](C)NC2CC2)s1 126943852 343800903 /nfs/dbraw/zinc/80/09/03/343800903.db2.gz BKFTWHMYWDGEGR-LURJTMIESA-N 0 3 182.292 2.265 20 0 AEADHN COC(C)(C)CNCc1occc1C 127142589 343805167 /nfs/dbraw/zinc/80/51/67/343805167.db2.gz VCCQEDRXHIXXMP-UHFFFAOYSA-N 0 3 197.278 2.103 20 0 AEADHN Cc1ccoc1CNCCC1CC1 127147827 343805467 /nfs/dbraw/zinc/80/54/67/343805467.db2.gz KJBNGQAWVFXTDN-UHFFFAOYSA-N 0 3 179.263 2.478 20 0 AEADHN Cc1noc(C)c1CNC1CC(C)C1 128859936 343838803 /nfs/dbraw/zinc/83/88/03/343838803.db2.gz XRWWPCLFFXWDNK-UHFFFAOYSA-N 0 3 194.278 2.180 20 0 AEADHN CC1CC(NCc2ccco2)C1 128859277 343838888 /nfs/dbraw/zinc/83/88/88/343838888.db2.gz MMNPUZIDCLPNRM-UHFFFAOYSA-N 0 3 165.236 2.168 20 0 AEADHN Cc1ccoc1CNC1CC(C)C1 128881890 343839265 /nfs/dbraw/zinc/83/92/65/343839265.db2.gz IYBHTBSHKZFAIB-UHFFFAOYSA-N 0 3 179.263 2.476 20 0 AEADHN Cc1ccc(CNC2CC(C)C2)o1 128883969 343839293 /nfs/dbraw/zinc/83/92/93/343839293.db2.gz KKXJKVGKWSSETA-UHFFFAOYSA-N 0 3 179.263 2.476 20 0 AEADHN Cc1csc(CNC2CC(C)C2)n1 128879453 343839372 /nfs/dbraw/zinc/83/93/72/343839372.db2.gz HXYSRSHZHFFVEL-UHFFFAOYSA-N 0 3 196.319 2.340 20 0 AEADHN Cc1ncc(CNC2CC(C)C2)s1 128869061 343839411 /nfs/dbraw/zinc/83/94/11/343839411.db2.gz UKKNCYRBFZWQQL-UHFFFAOYSA-N 0 3 196.319 2.340 20 0 AEADHN Cc1ncsc1CNC1CC(C)C1 128892601 343840081 /nfs/dbraw/zinc/84/00/81/343840081.db2.gz VKRUXNAFJFXFEM-UHFFFAOYSA-N 0 3 196.319 2.340 20 0 AEADHN Cc1ccncc1[C@@H](C)NC1CC1 129167045 343845056 /nfs/dbraw/zinc/84/50/56/343845056.db2.gz WMTUVPQFTSDPDI-SECBINFHSA-N 0 3 176.263 2.203 20 0 AEADHN Cc1ccncc1[C@H](C)NC1CC1 129167252 343845665 /nfs/dbraw/zinc/84/56/65/343845665.db2.gz WMTUVPQFTSDPDI-VIFPVBQESA-N 0 3 176.263 2.203 20 0 AEADHN Cc1oc2c(C)cc(F)cc2c1[O-] 129259042 343846731 /nfs/dbraw/zinc/84/67/31/343846731.db2.gz AGJVIMYFPJQMQY-LURJTMIESA-N 0 3 180.178 2.098 20 0 AEADHN Cc1cc(F)cc2c1OC(C)C2=O 129259042 343846735 /nfs/dbraw/zinc/84/67/35/343846735.db2.gz AGJVIMYFPJQMQY-LURJTMIESA-N 0 3 180.178 2.098 20 0 AEADHN Cc1ccc(CNC2CC(C)C2)nc1 131372896 343884789 /nfs/dbraw/zinc/88/47/89/343884789.db2.gz YLDWCNZXRYGRCL-UHFFFAOYSA-N 0 3 190.290 2.278 20 0 AEADHN Cc1ccc(CNC2(C)CC2)nc1 131366530 343884869 /nfs/dbraw/zinc/88/48/69/343884869.db2.gz VUEBZGOMHSRRQA-UHFFFAOYSA-N 0 3 176.263 2.032 20 0 AEADHN CC(C)NCc1cccc2c1OCC2 132512523 343899585 /nfs/dbraw/zinc/89/95/85/343899585.db2.gz RJGOOPVLNSXSRQ-UHFFFAOYSA-N 0 3 191.274 2.120 20 0 AEADHN COC(C)(C)CNCc1ccsc1 133009918 343909713 /nfs/dbraw/zinc/90/97/13/343909713.db2.gz IFDBQGMCOFFNAA-UHFFFAOYSA-N 0 3 199.319 2.263 20 0 AEADHN COC(C)(C)CNCc1ccc(C)o1 133032752 343910346 /nfs/dbraw/zinc/91/03/46/343910346.db2.gz ZKQZKPIVPBBCIM-UHFFFAOYSA-N 0 3 197.278 2.103 20 0 AEADHN C[C@H]1OCC[C@@H]1NCc1ccsc1 133977634 343930577 /nfs/dbraw/zinc/93/05/77/343930577.db2.gz WVGZINJJJDQRHN-SCZZXKLOSA-N 0 3 197.303 2.015 20 0 AEADHN C[C@H]1OCC[C@H]1NCc1ccsc1 133977188 343930721 /nfs/dbraw/zinc/93/07/21/343930721.db2.gz WVGZINJJJDQRHN-PSASIEDQSA-N 0 3 197.303 2.015 20 0 AEADHN C[C@@H](NC1CCC1)c1ccc(F)cn1 134009822 343931667 /nfs/dbraw/zinc/93/16/67/343931667.db2.gz OOWMDFGHOZDYPZ-MRVPVSSYSA-N 0 3 194.253 2.424 20 0 AEADHN C[C@H](NC1CCC1)c1ccc(F)cn1 134009605 343931894 /nfs/dbraw/zinc/93/18/94/343931894.db2.gz OOWMDFGHOZDYPZ-QMMMGPOBSA-N 0 3 194.253 2.424 20 0 AEADHN Cc1cnc(CNC2CCC2)s1 134689621 343948407 /nfs/dbraw/zinc/94/84/07/343948407.db2.gz AQLNRSHUXOBVNX-UHFFFAOYSA-N 0 3 182.292 2.094 20 0 AEADHN COCC(C)(C)NCc1ccc(C)o1 135057316 343953803 /nfs/dbraw/zinc/95/38/03/343953803.db2.gz RRSSQZCNYSQNKG-UHFFFAOYSA-N 0 3 197.278 2.103 20 0 AEADHN COCC(C)(C)NCc1cccs1 135057229 343953915 /nfs/dbraw/zinc/95/39/15/343953915.db2.gz AKCYNTNZSLTRDQ-UHFFFAOYSA-N 0 3 199.319 2.263 20 0 AEADHN COCC(C)(C)NCc1ccsc1 135057372 343953960 /nfs/dbraw/zinc/95/39/60/343953960.db2.gz ZGKZOIZYRLYCDW-UHFFFAOYSA-N 0 3 199.319 2.263 20 0 AEADHN C[C@H](CNCc1cscn1)C1CC1 136209081 343977636 /nfs/dbraw/zinc/97/76/36/343977636.db2.gz BBMGJFGCNRYXIN-MRVPVSSYSA-N 0 3 196.319 2.279 20 0 AEADHN Cc1noc(C)c1CNC[C@H]1C[C@@H]1C 136248052 343978121 /nfs/dbraw/zinc/97/81/21/343978121.db2.gz MEMWHPISKIQXSM-OIBJUYFYSA-N 0 3 194.278 2.037 20 0 AEADHN Cc1noc(C)c1CNC[C@@H]1C[C@@H]1C 136248015 343978127 /nfs/dbraw/zinc/97/81/27/343978127.db2.gz MEMWHPISKIQXSM-XVKPBYJWSA-N 0 3 194.278 2.037 20 0 AEADHN Cc1noc(C)c1CNC[C@@H]1C[C@H]1C 136248095 343978151 /nfs/dbraw/zinc/97/81/51/343978151.db2.gz MEMWHPISKIQXSM-XCBNKYQSSA-N 0 3 194.278 2.037 20 0 AEADHN CC[C@H](C)CSCCN(C)C 136670559 343981860 /nfs/dbraw/zinc/98/18/60/343981860.db2.gz VBPUCSCMCYALKI-VIFPVBQESA-N 0 3 175.341 2.327 20 0 AEADHN CCN(CC)Cc1cccc(C)n1 138098218 343988048 /nfs/dbraw/zinc/98/80/48/343988048.db2.gz KLYJUPGQIQTMNU-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN CCN1CCc2sccc2C1 138810696 343990431 /nfs/dbraw/zinc/99/04/31/343990431.db2.gz HDEMTLOXNBYTID-UHFFFAOYSA-N 0 3 167.277 2.126 20 0 AEADHN Cc1ncc(CN2CCCC2)s1 140040567 343997978 /nfs/dbraw/zinc/99/79/78/343997978.db2.gz UFOYKQDCSIUCJT-UHFFFAOYSA-N 0 3 182.292 2.047 20 0 AEADHN CCN1CCC(C(F)(F)F)CC1 140375135 343999655 /nfs/dbraw/zinc/99/96/55/343999655.db2.gz YBJGAGABMXXYPF-UHFFFAOYSA-N 0 3 181.201 2.281 20 0 AEADHN Cc1ccc2c(c1)CNCCS2 140853156 344002201 /nfs/dbraw/zinc/00/22/01/344002201.db2.gz JLAJCARCOPDOJE-UHFFFAOYSA-N 0 3 179.288 2.190 20 0 AEADHN CCCN(CC)Cc1cccnc1 141570746 344007025 /nfs/dbraw/zinc/00/70/25/344007025.db2.gz VGOJTVQZCCBSSQ-UHFFFAOYSA-N 0 3 178.279 2.314 20 0 AEADHN Cc1ncc(CN2CCCCC2)s1 142217531 344010906 /nfs/dbraw/zinc/01/09/06/344010906.db2.gz YNCPLABHLSDLOT-UHFFFAOYSA-N 0 3 196.319 2.437 20 0 AEADHN c1cc(CN2CCCCCC2)ccn1 142304887 344011522 /nfs/dbraw/zinc/01/15/22/344011522.db2.gz XOHORRDMJJFPIH-UHFFFAOYSA-N 0 3 190.290 2.458 20 0 AEADHN CC(C)CCN1CC[C@@H](F)C1 143026537 344016134 /nfs/dbraw/zinc/01/61/34/344016134.db2.gz NQRKTANWAXHDHD-SECBINFHSA-N 0 3 159.248 2.076 20 0 AEADHN CN1CC[C@@H](c2cccc(F)c2)C1 142962626 344016264 /nfs/dbraw/zinc/01/62/64/344016264.db2.gz KOLMYFFNDBXKHQ-SNVBAGLBSA-N 0 3 179.238 2.245 20 0 AEADHN CN1CC[C@H](c2cccc(F)c2)C1 142962396 344016293 /nfs/dbraw/zinc/01/62/93/344016293.db2.gz KOLMYFFNDBXKHQ-JTQLQIEISA-N 0 3 179.238 2.245 20 0 AEADHN CC(C)CCN1CC[C@H](F)C1 143026763 344016450 /nfs/dbraw/zinc/01/64/50/344016450.db2.gz NQRKTANWAXHDHD-VIFPVBQESA-N 0 3 159.248 2.076 20 0 AEADHN Cc1cncc(CN2CCCCC2)c1 143318477 344018381 /nfs/dbraw/zinc/01/83/81/344018381.db2.gz WCHANAMAEBCPNF-UHFFFAOYSA-N 0 3 190.290 2.376 20 0 AEADHN CC1CCN(Cc2cncs2)CC1 144138377 344024507 /nfs/dbraw/zinc/02/45/07/344024507.db2.gz MASWUVUDGLVHPE-UHFFFAOYSA-N 0 3 196.319 2.375 20 0 AEADHN Cc1cc2cc(CN)cc(F)c2[nH]1 144379274 344026667 /nfs/dbraw/zinc/02/66/67/344026667.db2.gz SEEQYSZUEXHSCX-UHFFFAOYSA-N 0 3 178.210 2.074 20 0 AEADHN FC(F)(F)CCN1CCCC1 144512453 344027583 /nfs/dbraw/zinc/02/75/83/344027583.db2.gz YHAABNGBLKTBBJ-UHFFFAOYSA-N 0 3 167.174 2.035 20 0 AEADHN CN(C)Cc1ccc2ccccc2n1 145342532 344032930 /nfs/dbraw/zinc/03/29/30/344032930.db2.gz NKZNPRQIONEKPT-UHFFFAOYSA-N 0 3 186.258 2.296 20 0 in-vitro AEADHN C[C@H](c1cnccn1)N1CCCCC1 145520467 344033892 /nfs/dbraw/zinc/03/38/92/344033892.db2.gz OICYJSDJMSDCGG-SNVBAGLBSA-N 0 3 191.278 2.024 20 0 AEADHN C[C@@H](c1cnccn1)N1CCCCC1 145520667 344033995 /nfs/dbraw/zinc/03/39/95/344033995.db2.gz OICYJSDJMSDCGG-JTQLQIEISA-N 0 3 191.278 2.024 20 0 AEADHN CN(Cc1cccc(F)c1)C1CC1 146105871 344038266 /nfs/dbraw/zinc/03/82/66/344038266.db2.gz RCRQPEVQHSASMK-UHFFFAOYSA-N 0 3 179.238 2.420 20 0 AEADHN CCN(C)[C@H](C)c1ccccn1 146589185 344041309 /nfs/dbraw/zinc/04/13/09/344041309.db2.gz SQCUCLWIJANYEY-SECBINFHSA-N 0 3 164.252 2.094 20 0 AEADHN CCN(C)[C@@H](C)c1ccccn1 146588984 344041409 /nfs/dbraw/zinc/04/14/09/344041409.db2.gz SQCUCLWIJANYEY-VIFPVBQESA-N 0 3 164.252 2.094 20 0 AEADHN C[C@@H]1CCCN1Cc1ccncc1 148196741 344050576 /nfs/dbraw/zinc/05/05/76/344050576.db2.gz JEAODSHQIAHJFQ-SNVBAGLBSA-N 0 3 176.263 2.066 20 0 AEADHN C[C@H]1CCCN1Cc1ccncc1 148196959 344050735 /nfs/dbraw/zinc/05/07/35/344050735.db2.gz JEAODSHQIAHJFQ-JTQLQIEISA-N 0 3 176.263 2.066 20 0 AEADHN CN(Cc1ccc(F)cc1)C1CC1 148887426 344059691 /nfs/dbraw/zinc/05/96/91/344059691.db2.gz QPMKYUAKELMDKE-UHFFFAOYSA-N 0 3 179.238 2.420 20 0 AEADHN CCN1CCC[C@@H](C(F)(F)F)C1 149325614 344063999 /nfs/dbraw/zinc/06/39/99/344063999.db2.gz ZGYRWKHNSDSYKM-SSDOTTSWSA-N 0 3 181.201 2.281 20 0 AEADHN CCN1CCC[C@H](C(F)(F)F)C1 149325391 344063857 /nfs/dbraw/zinc/06/38/57/344063857.db2.gz ZGYRWKHNSDSYKM-ZETCQYMHSA-N 0 3 181.201 2.281 20 0 AEADHN CCCN(C)CCC(F)(F)F 149613546 344068701 /nfs/dbraw/zinc/06/87/01/344068701.db2.gz NTDVVQNEWOEXNZ-UHFFFAOYSA-N 0 3 169.190 2.281 20 0 AEADHN CCN1CCc2ccsc2C1 149633685 344068934 /nfs/dbraw/zinc/06/89/34/344068934.db2.gz XCZAGIHYZNHFRG-UHFFFAOYSA-N 0 3 167.277 2.126 20 0 AEADHN CCN(C)Cc1ccsc1 150232805 344078708 /nfs/dbraw/zinc/07/87/08/344078708.db2.gz ZXMIHRDMSOEBSO-UHFFFAOYSA-N 0 3 155.266 2.200 20 0 AEADHN Nc1c(F)cccc1CN1CCCC1 156331688 344082758 /nfs/dbraw/zinc/08/27/58/344082758.db2.gz ZCWHLOPJQAQAIB-UHFFFAOYSA-N 0 3 194.253 2.004 20 0 AEADHN CN(Cc1cccc(F)c1N)C1CC1 156339306 344082926 /nfs/dbraw/zinc/08/29/26/344082926.db2.gz YRRHDBYWCCBLSC-UHFFFAOYSA-N 0 3 194.253 2.002 20 0 AEADHN CCCN(C)Cc1cccc(F)c1N 156340349 344083034 /nfs/dbraw/zinc/08/30/34/344083034.db2.gz WUCUMERIKHAXEY-UHFFFAOYSA-N 0 3 196.269 2.250 20 0 AEADHN CCN(CC)Cc1cccc(F)c1N 156331920 344083127 /nfs/dbraw/zinc/08/31/27/344083127.db2.gz XFLMWHDMCSURHT-UHFFFAOYSA-N 0 3 196.269 2.250 20 0 AEADHN CC(C)N(C)Cc1cccc(F)c1N 156335841 344083438 /nfs/dbraw/zinc/08/34/38/344083438.db2.gz HJKPGCURQKJZSI-UHFFFAOYSA-N 0 3 196.269 2.248 20 0 AEADHN CC1CC(NCc2cncs2)C1 157483945 344107858 /nfs/dbraw/zinc/10/78/58/344107858.db2.gz XJUSQKZWLUVUOL-UHFFFAOYSA-N 0 3 182.292 2.031 20 0 AEADHN Fc1ccc(CNC2CCCC2)nc1 158163405 344120697 /nfs/dbraw/zinc/12/06/97/344120697.db2.gz RAOLESOHVOEJIM-UHFFFAOYSA-N 0 3 194.253 2.253 20 0 AEADHN CS[C@@H](C)CNCc1ccc(C)o1 159316678 344142350 /nfs/dbraw/zinc/14/23/50/344142350.db2.gz AISUPPFZBCODPA-VIFPVBQESA-N 0 3 199.319 2.429 20 0 AEADHN CS[C@@H](C)CNCc1occc1C 159306942 344142414 /nfs/dbraw/zinc/14/24/14/344142414.db2.gz NDKIGYIXIMUFME-VIFPVBQESA-N 0 3 199.319 2.429 20 0 AEADHN CS[C@H](C)CNCc1ccc(C)o1 159316556 344142467 /nfs/dbraw/zinc/14/24/67/344142467.db2.gz AISUPPFZBCODPA-SECBINFHSA-N 0 3 199.319 2.429 20 0 AEADHN CS[C@H](C)CNCc1occc1C 159306806 344142498 /nfs/dbraw/zinc/14/24/98/344142498.db2.gz NDKIGYIXIMUFME-SECBINFHSA-N 0 3 199.319 2.429 20 0 AEADHN CC(C)[NH2+]Cc1cc([O-])cc(F)c1 159584151 344148863 /nfs/dbraw/zinc/14/88/63/344148863.db2.gz NHXMVDFXVABGEJ-UHFFFAOYSA-N 0 3 183.226 2.029 20 0 AEADHN C[C@@H]1C[C@@H]1[NH2+]Cc1cc([O-])cc(F)c1 159599095 344148874 /nfs/dbraw/zinc/14/88/74/344148874.db2.gz IXLFIQKGURBWOZ-HQJQHLMTSA-N 0 3 195.237 2.029 20 0 AEADHN [O-]c1cc(F)cc(C[NH2+]C2CCC2)c1 159598954 344148926 /nfs/dbraw/zinc/14/89/26/344148926.db2.gz QIPRXXPIJUUSLC-UHFFFAOYSA-N 0 3 195.237 2.173 20 0 AEADHN C[C@H]1C[C@H]1[NH2+]Cc1cc([O-])cc(F)c1 159599496 344148970 /nfs/dbraw/zinc/14/89/70/344148970.db2.gz IXLFIQKGURBWOZ-WRWORJQWSA-N 0 3 195.237 2.029 20 0 AEADHN C[C@@H]1C[C@H]1[NH2+]Cc1cc([O-])cc(F)c1 159599368 344149023 /nfs/dbraw/zinc/14/90/23/344149023.db2.gz IXLFIQKGURBWOZ-RDDDGLTNSA-N 0 3 195.237 2.029 20 0 AEADHN C[C@H]1C[C@@H]1[NH2+]Cc1cc([O-])cc(F)c1 159599256 344149167 /nfs/dbraw/zinc/14/91/67/344149167.db2.gz IXLFIQKGURBWOZ-CPCISQLKSA-N 0 3 195.237 2.029 20 0 AEADHN Cc1csc(CNC2(C)CCC2)n1 159925585 344154635 /nfs/dbraw/zinc/15/46/35/344154635.db2.gz UUISFFNSFKJHIC-UHFFFAOYSA-N 0 3 196.319 2.484 20 0 AEADHN C[C@]1(NCc2ccsc2)CCOC1 160194829 344159419 /nfs/dbraw/zinc/15/94/19/344159419.db2.gz LROCVKLUCPWAOF-JTQLQIEISA-N 0 3 197.303 2.017 20 0 AEADHN C[C@]1(NCc2cccs2)CCOC1 160191796 344159445 /nfs/dbraw/zinc/15/94/45/344159445.db2.gz PBGMALWXXVXJMQ-JTQLQIEISA-N 0 3 197.303 2.017 20 0 AEADHN C[C@H](NC1CCC1)c1cncs1 161596435 344194766 /nfs/dbraw/zinc/19/47/66/344194766.db2.gz YZSGBAXMKOTQRM-ZETCQYMHSA-N 0 3 182.292 2.346 20 0 AEADHN C[C@@H](NC1CCC1)c1cncs1 161596577 344194817 /nfs/dbraw/zinc/19/48/17/344194817.db2.gz YZSGBAXMKOTQRM-SSDOTTSWSA-N 0 3 182.292 2.346 20 0 AEADHN COCCCCCNCc1ccco1 163736344 344228537 /nfs/dbraw/zinc/22/85/37/344228537.db2.gz FWRPRKSTPFYNAA-UHFFFAOYSA-N 0 3 197.278 2.186 20 0 AEADHN CC(C)(C)CCCNCc1ncc[nH]1 164312783 344241192 /nfs/dbraw/zinc/24/11/92/344241192.db2.gz WLXDEWFJTUDHGQ-UHFFFAOYSA-N 0 3 195.310 2.326 20 0 AEADHN Cc1ccc(CNC2(C)CC2)cn1 164997757 344256501 /nfs/dbraw/zinc/25/65/01/344256501.db2.gz GWMKTMXBSFKOOS-UHFFFAOYSA-N 0 3 176.263 2.032 20 0 AEADHN C1=C[C@H](NCc2ccncc2)CCC1 165895345 344271952 /nfs/dbraw/zinc/27/19/52/344271952.db2.gz LYSXDGCDCGTEQA-LBPRGKRZSA-N 0 3 188.274 2.280 20 0 AEADHN C1=C[C@H](NCc2cc[nH]c2)CCC1 165892746 344272079 /nfs/dbraw/zinc/27/20/79/344272079.db2.gz IEHLQYBKPBUJDL-NSHDSACASA-N 0 3 176.263 2.213 20 0 AEADHN C1=C[C@@H](NCc2cc[nH]c2)CCC1 165892876 344272119 /nfs/dbraw/zinc/27/21/19/344272119.db2.gz IEHLQYBKPBUJDL-LLVKDONJSA-N 0 3 176.263 2.213 20 0 AEADHN C1=C[C@@H](NCc2ccncc2)CCC1 165895466 344272135 /nfs/dbraw/zinc/27/21/35/344272135.db2.gz LYSXDGCDCGTEQA-GFCCVEGCSA-N 0 3 188.274 2.280 20 0 AEADHN C1=C[C@H](NCc2ccccn2)CCC1 165903593 344272290 /nfs/dbraw/zinc/27/22/90/344272290.db2.gz ZRHRHERETIKDRU-NSHDSACASA-N 0 3 188.274 2.280 20 0 AEADHN Cn1cccc1CN[C@H]1C=CCCC1 165901878 344272411 /nfs/dbraw/zinc/27/24/11/344272411.db2.gz GEDFWUKVUTUZNO-NSHDSACASA-N 0 3 190.290 2.223 20 0 AEADHN C1=C[C@H](NCc2cccnc2)CCC1 165901214 344272449 /nfs/dbraw/zinc/27/24/49/344272449.db2.gz CMQPZAXBQYBPNE-LBPRGKRZSA-N 0 3 188.274 2.280 20 0 AEADHN C1=C[C@@H](NCc2cccnc2)CCC1 165901336 344272455 /nfs/dbraw/zinc/27/24/55/344272455.db2.gz CMQPZAXBQYBPNE-GFCCVEGCSA-N 0 3 188.274 2.280 20 0 AEADHN Cn1cccc1CN[C@@H]1C=CCCC1 165901997 344272479 /nfs/dbraw/zinc/27/24/79/344272479.db2.gz GEDFWUKVUTUZNO-LLVKDONJSA-N 0 3 190.290 2.223 20 0 AEADHN C1=C[C@@H](NCc2ccccn2)CCC1 165903705 344272486 /nfs/dbraw/zinc/27/24/86/344272486.db2.gz ZRHRHERETIKDRU-LLVKDONJSA-N 0 3 188.274 2.280 20 0 AEADHN Cc1ncsc1CN1CCCC1 165995367 344273174 /nfs/dbraw/zinc/27/31/74/344273174.db2.gz JHIDCALCKRDNAQ-UHFFFAOYSA-N 0 3 182.292 2.047 20 0 AEADHN C[C@H](NC1CC1)c1cncc(F)c1 166196792 344276271 /nfs/dbraw/zinc/27/62/71/344276271.db2.gz IUQULGGMBMVHBG-ZETCQYMHSA-N 0 3 180.226 2.034 20 0 AEADHN C[C@@H](NC1CC1)c1cncc(F)c1 166196929 344276582 /nfs/dbraw/zinc/27/65/82/344276582.db2.gz IUQULGGMBMVHBG-SSDOTTSWSA-N 0 3 180.226 2.034 20 0 AEADHN CC(C)N[C@@H](C)c1cncc(F)c1 166299549 344278424 /nfs/dbraw/zinc/27/84/24/344278424.db2.gz KARXEGUVHMEUSQ-QMMMGPOBSA-N 0 3 182.242 2.280 20 0 AEADHN CC(C)N1CCc2ccc(O)cc2C1 167049318 344296424 /nfs/dbraw/zinc/29/64/24/344296424.db2.gz XDVLISKOOBFCOM-UHFFFAOYSA-N 0 3 191.274 2.159 20 0 AEADHN CC(C)CCN1CCOCC1(C)C 168275957 344326937 /nfs/dbraw/zinc/32/69/37/344326937.db2.gz FDJAZUQTMLTGTC-UHFFFAOYSA-N 0 3 185.311 2.143 20 0 AEADHN CCCCCN1CCO[C@@H](CC)C1 168658752 344334455 /nfs/dbraw/zinc/33/44/55/344334455.db2.gz SISSDALBKFOFTC-NSHDSACASA-N 0 3 185.311 2.287 20 0 AEADHN CCCCCN1CCO[C@H](CC)C1 168658849 344334761 /nfs/dbraw/zinc/33/47/61/344334761.db2.gz SISSDALBKFOFTC-LLVKDONJSA-N 0 3 185.311 2.287 20 0 AEADHN CC1CCN(Cc2ccncc2)CC1 169118982 344345830 /nfs/dbraw/zinc/34/58/30/344345830.db2.gz AXKOKXBKXUJAQY-UHFFFAOYSA-N 0 3 190.290 2.314 20 0 AEADHN CCN1CCOc2ccc(C)cc2C1 196580263 344357927 /nfs/dbraw/zinc/35/79/27/344357927.db2.gz WGOCDKLUFUQJIH-UHFFFAOYSA-N 0 3 191.274 2.209 20 0 AEADHN CCN1CCC(OC(C)(C)C)CC1 200043931 344362318 /nfs/dbraw/zinc/36/23/18/344362318.db2.gz FONJHZYHYOOYQK-UHFFFAOYSA-N 0 3 185.311 2.286 20 0 AEADHN Cc1ccc(CN(C)C(C)C)nc1 199972210 344362426 /nfs/dbraw/zinc/36/24/26/344362426.db2.gz VKCSBOJCZUIDDO-UHFFFAOYSA-N 0 3 178.279 2.230 20 0 AEADHN CC(C)[C@@H]1CN(C2CCCC2)CCO1 200174426 344362849 /nfs/dbraw/zinc/36/28/49/344362849.db2.gz APNMEIWHCWRZKK-LBPRGKRZSA-N 0 3 197.322 2.286 20 0 AEADHN CC(C)[C@H]1CN(C2CCCC2)CCO1 200174460 344363025 /nfs/dbraw/zinc/36/30/25/344363025.db2.gz APNMEIWHCWRZKK-GFCCVEGCSA-N 0 3 197.322 2.286 20 0 AEADHN CC1CCN(Cc2cccn2C)CC1 201077285 344364342 /nfs/dbraw/zinc/36/43/42/344364342.db2.gz STSQRIJEYUMFBM-UHFFFAOYSA-N 0 3 192.306 2.257 20 0 AEADHN CC(C)N1CCOc2ccccc2C1 202368531 344366860 /nfs/dbraw/zinc/36/68/60/344366860.db2.gz QKIILVWSFFRVOZ-UHFFFAOYSA-N 0 3 191.274 2.289 20 0 AEADHN CN(Cc1ccncc1)C(C)(C)C 202620019 344367314 /nfs/dbraw/zinc/36/73/14/344367314.db2.gz WXQOOMNOROLMRQ-UHFFFAOYSA-N 0 3 178.279 2.312 20 0 AEADHN CC[C@H](C)N(C)Cc1ccccn1 213126619 344380697 /nfs/dbraw/zinc/38/06/97/344380697.db2.gz BIJPOEDAWRLKMV-JTQLQIEISA-N 0 3 178.279 2.312 20 0 AEADHN Cc1c(Cl)ccc2c1CNCC2 212965763 344380836 /nfs/dbraw/zinc/38/08/36/344380836.db2.gz HOWCTDLHUWDSAG-UHFFFAOYSA-N 0 3 181.666 2.294 20 0 AEADHN CN(Cc1cccnc1)C1CCC1 219066661 344419584 /nfs/dbraw/zinc/41/95/84/344419584.db2.gz SDVHRWWAOQFFLR-UHFFFAOYSA-N 0 3 176.263 2.066 20 0 AEADHN C[C@H]1CCCC[C@@H]1NCc1ccno1 219204360 344420855 /nfs/dbraw/zinc/42/08/55/344420855.db2.gz AAUPRTYZUUQZBG-ONGXEEELSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@H]1CCCC[C@H]1NCc1ccno1 219204512 344420989 /nfs/dbraw/zinc/42/09/89/344420989.db2.gz AAUPRTYZUUQZBG-GXSJLCMTSA-N 0 3 194.278 2.343 20 0 AEADHN CC1CCC(NCc2ccno2)CC1 219219591 344421634 /nfs/dbraw/zinc/42/16/34/344421634.db2.gz ZGEDZUORPQZIQU-UHFFFAOYSA-N 0 3 194.278 2.343 20 0 AEADHN CC(C)CC[C@@H]1NCCc2nc[nH]c21 219393644 344423621 /nfs/dbraw/zinc/42/36/21/344423621.db2.gz PNPHVFHSKOQEGI-VIFPVBQESA-N 0 3 193.294 2.033 20 0 AEADHN Cc1cccc(CN2CC[C@@H](C)C2)n1 221067980 344437338 /nfs/dbraw/zinc/43/73/38/344437338.db2.gz JCIJYVOAZNWNPA-SNVBAGLBSA-N 0 3 190.290 2.232 20 0 AEADHN Cc1cccc(CN2CC[C@H](C)C2)n1 221067926 344437478 /nfs/dbraw/zinc/43/74/78/344437478.db2.gz JCIJYVOAZNWNPA-JTQLQIEISA-N 0 3 190.290 2.232 20 0 AEADHN C[C@@H]1CC[C@@H](N[C@H](C)c2ncc[nH]2)C1 221160134 344438691 /nfs/dbraw/zinc/43/86/91/344438691.db2.gz PFUXZVRMGLADEQ-OPRDCNLKSA-N 0 3 193.294 2.249 20 0 AEADHN C[C@@H]1CC[C@H](N[C@H](C)c2ncc[nH]2)C1 221160202 344438742 /nfs/dbraw/zinc/43/87/42/344438742.db2.gz PFUXZVRMGLADEQ-BBBLOLIVSA-N 0 3 193.294 2.249 20 0 AEADHN CC(C)N1CCc2c(O)cccc2C1 221389450 344442953 /nfs/dbraw/zinc/44/29/53/344442953.db2.gz XUKIJACYADAYEG-UHFFFAOYSA-N 0 3 191.274 2.159 20 0 AEADHN CC[C@@H](C)CSCCN(C)C 221509823 344443920 /nfs/dbraw/zinc/44/39/20/344443920.db2.gz VBPUCSCMCYALKI-SECBINFHSA-N 0 3 175.341 2.327 20 0 AEADHN C[C@@H](NC1CCC1)c1cncc(F)c1 221989493 344447684 /nfs/dbraw/zinc/44/76/84/344447684.db2.gz FYLWWHFCYQFMRC-MRVPVSSYSA-N 0 3 194.253 2.424 20 0 AEADHN C[C@H](NC1CCC1)c1cncc(F)c1 221989553 344447808 /nfs/dbraw/zinc/44/78/08/344447808.db2.gz FYLWWHFCYQFMRC-QMMMGPOBSA-N 0 3 194.253 2.424 20 0 AEADHN C[C@H](N[C@H]1CCSC1)c1ccoc1 222141573 344448913 /nfs/dbraw/zinc/44/89/13/344448913.db2.gz QIUALOLIEBPGRF-WPRPVWTQSA-N 0 3 197.303 2.436 20 0 AEADHN C[C@@H](N[C@H]1CCSC1)c1ccoc1 222141516 344449214 /nfs/dbraw/zinc/44/92/14/344449214.db2.gz QIUALOLIEBPGRF-SCZZXKLOSA-N 0 3 197.303 2.436 20 0 AEADHN CN(C)CCSCc1ccco1 222102821 344449311 /nfs/dbraw/zinc/44/93/11/344449311.db2.gz KVQWQXWHFXJJTE-UHFFFAOYSA-N 0 3 185.292 2.074 20 0 AEADHN C[C@H](N[C@@H]1CCSC1)c1ccoc1 222141462 344449388 /nfs/dbraw/zinc/44/93/88/344449388.db2.gz QIUALOLIEBPGRF-WCBMZHEXSA-N 0 3 197.303 2.436 20 0 AEADHN C[C@@H](N[C@@H]1CCSC1)c1ccoc1 222141412 344449399 /nfs/dbraw/zinc/44/93/99/344449399.db2.gz QIUALOLIEBPGRF-PSASIEDQSA-N 0 3 197.303 2.436 20 0 AEADHN C1=C[C@@H](NCc2ccccc2)CC1 224222852 344467460 /nfs/dbraw/zinc/46/74/60/344467460.db2.gz MABYMUYWQDFHJZ-GFCCVEGCSA-N 0 3 173.259 2.495 20 0 AEADHN CCC1CCN(Cc2cnc[nH]2)CC1 224935118 344474530 /nfs/dbraw/zinc/47/45/30/344474530.db2.gz NSDBPVJHXGKQCC-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN C[C@H]1CCCCN1Cc1ccccn1 225449634 344481591 /nfs/dbraw/zinc/48/15/91/344481591.db2.gz ZQJUHYAWBKOBBS-NSHDSACASA-N 0 3 190.290 2.456 20 0 AEADHN C[C@@H]1CCCN1Cc1ccccn1 225901378 344489632 /nfs/dbraw/zinc/48/96/32/344489632.db2.gz LDQJNCFKGDZKCZ-SNVBAGLBSA-N 0 3 176.263 2.066 20 0 AEADHN C[C@H]1CCCN1Cc1ccccn1 225901393 344489768 /nfs/dbraw/zinc/48/97/68/344489768.db2.gz LDQJNCFKGDZKCZ-JTQLQIEISA-N 0 3 176.263 2.066 20 0 AEADHN CC1(C)C[C@H]1CNCc1ccccn1 226256179 344496307 /nfs/dbraw/zinc/49/63/07/344496307.db2.gz ZWVJFUNHSYCJOH-JTQLQIEISA-N 0 3 190.290 2.217 20 0 AEADHN CC1(C)C[C@H]1CNCc1nccs1 226254895 344496350 /nfs/dbraw/zinc/49/63/50/344496350.db2.gz RZARJIHUXXPCRO-QMMMGPOBSA-N 0 3 196.319 2.279 20 0 AEADHN CC1(C)C[C@@H]1CNCc1cscn1 226257144 344496489 /nfs/dbraw/zinc/49/64/89/344496489.db2.gz KNYJXAGQSHLQAM-MRVPVSSYSA-N 0 3 196.319 2.279 20 0 AEADHN CC1(C)C[C@@H]1CNCc1ccccn1 226256170 344496459 /nfs/dbraw/zinc/49/64/59/344496459.db2.gz ZWVJFUNHSYCJOH-SNVBAGLBSA-N 0 3 190.290 2.217 20 0 AEADHN CC1(C)C[C@@H]1CNCc1nccs1 226254889 344496500 /nfs/dbraw/zinc/49/65/00/344496500.db2.gz RZARJIHUXXPCRO-MRVPVSSYSA-N 0 3 196.319 2.279 20 0 AEADHN CC1(C)C[C@H]1CNCc1cscn1 226257153 344496511 /nfs/dbraw/zinc/49/65/11/344496511.db2.gz KNYJXAGQSHLQAM-QMMMGPOBSA-N 0 3 196.319 2.279 20 0 AEADHN CC1(C)C[C@@H]1CNCc1ccco1 226255050 344496597 /nfs/dbraw/zinc/49/65/97/344496597.db2.gz QPPCVUDZBIOYSQ-SECBINFHSA-N 0 3 179.263 2.415 20 0 AEADHN CC1(C)C[C@H]1CNCc1ccco1 226255057 344496659 /nfs/dbraw/zinc/49/66/59/344496659.db2.gz QPPCVUDZBIOYSQ-VIFPVBQESA-N 0 3 179.263 2.415 20 0 AEADHN CC(C)N[C@H]1CCc2cccnc21 226796850 344514330 /nfs/dbraw/zinc/51/43/30/344514330.db2.gz LFVGQUHPPYDEEO-JTQLQIEISA-N 0 3 176.263 2.067 20 0 AEADHN c1cnc2c(c1)CC[C@@H]2NCC1CC1 226796999 344514360 /nfs/dbraw/zinc/51/43/60/344514360.db2.gz YVQMYZKHGNQQIS-NSHDSACASA-N 0 3 188.274 2.069 20 0 AEADHN c1cnc2c(c1)CC[C@H]2NCC1CC1 226797004 344514506 /nfs/dbraw/zinc/51/45/06/344514506.db2.gz YVQMYZKHGNQQIS-LLVKDONJSA-N 0 3 188.274 2.069 20 0 AEADHN CC(C)N[C@@H]1CCc2cccnc21 226796843 344514514 /nfs/dbraw/zinc/51/45/14/344514514.db2.gz LFVGQUHPPYDEEO-SNVBAGLBSA-N 0 3 176.263 2.067 20 0 AEADHN CC(C)(NCC1CC1)c1nccs1 227219424 344525634 /nfs/dbraw/zinc/52/56/34/344525634.db2.gz HKWUJJCPRJRYQS-UHFFFAOYSA-N 0 3 196.319 2.378 20 0 AEADHN CSC1(CNCc2ccco2)CC1 227951392 344552396 /nfs/dbraw/zinc/55/23/96/344552396.db2.gz VCNUIOAOVMWGTB-UHFFFAOYSA-N 0 3 197.303 2.265 20 0 AEADHN CC1(NCc2ccncc2Cl)CC1 228846473 344570449 /nfs/dbraw/zinc/57/04/49/344570449.db2.gz DOBQWQJCQYLZSK-UHFFFAOYSA-N 0 3 196.681 2.377 20 0 AEADHN CC(C)CN(C)Cc1ccccn1 230441305 344636558 /nfs/dbraw/zinc/63/65/58/344636558.db2.gz JDLXIIBQXLMQMB-UHFFFAOYSA-N 0 3 178.279 2.169 20 0 AEADHN CC(C)(NCc1nccs1)C1CC1 230674422 344639118 /nfs/dbraw/zinc/63/91/18/344639118.db2.gz MHCOCHNLJNBZFV-UHFFFAOYSA-N 0 3 196.319 2.421 20 0 AEADHN CC(C)(NCc1cscn1)C1CC1 230674475 344639250 /nfs/dbraw/zinc/63/92/50/344639250.db2.gz KIQKZVSWJOBWEN-UHFFFAOYSA-N 0 3 196.319 2.421 20 0 AEADHN Cc1ccoc1CN[C@H]1CCSC1 230704311 344640230 /nfs/dbraw/zinc/64/02/30/344640230.db2.gz GFSVCQKUPICQMR-VIFPVBQESA-N 0 3 197.303 2.183 20 0 AEADHN Cc1ccoc1CN[C@@H]1CCSC1 230704308 344640292 /nfs/dbraw/zinc/64/02/92/344640292.db2.gz GFSVCQKUPICQMR-SECBINFHSA-N 0 3 197.303 2.183 20 0 AEADHN CC1(C)C[C@@H]1NCc1cncc(F)c1 230939458 344645727 /nfs/dbraw/zinc/64/57/27/344645727.db2.gz GKEBXOYYUNEZTK-JTQLQIEISA-N 0 3 194.253 2.109 20 0 AEADHN CC1CC(NCc2cncc(F)c2)C1 230941417 344646217 /nfs/dbraw/zinc/64/62/17/344646217.db2.gz ZKABUCCMXBXCMC-UHFFFAOYSA-N 0 3 194.253 2.109 20 0 AEADHN Cc1cnc(CNC2CC(C)C2)s1 231788556 344660948 /nfs/dbraw/zinc/66/09/48/344660948.db2.gz RCJPGEKYUQIITG-UHFFFAOYSA-N 0 3 196.319 2.340 20 0 AEADHN CC1(C)CC[C@@H](NCc2ccno2)C1 231880870 344663074 /nfs/dbraw/zinc/66/30/74/344663074.db2.gz MOPMFAPXFDRSMU-SECBINFHSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@H]1CCC[C@@H](NCc2ccno2)C1 231884768 344663541 /nfs/dbraw/zinc/66/35/41/344663541.db2.gz HXMWJMPGWGOITL-VHSXEESVSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@@H]1CCC[C@@H](NCc2ccno2)C1 231884765 344663659 /nfs/dbraw/zinc/66/36/59/344663659.db2.gz HXMWJMPGWGOITL-NXEZZACHSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@H]1CCC[C@H](NCc2ccno2)C1 231884773 344663689 /nfs/dbraw/zinc/66/36/89/344663689.db2.gz HXMWJMPGWGOITL-UWVGGRQHSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@@H]1CCC[C@H](NCc2ccno2)C1 231884771 344663694 /nfs/dbraw/zinc/66/36/94/344663694.db2.gz HXMWJMPGWGOITL-ZJUUUORDSA-N 0 3 194.278 2.343 20 0 AEADHN CCC[C@H]1NCCc2occc21 238233056 344796551 /nfs/dbraw/zinc/79/65/51/344796551.db2.gz IGDIMQVOLDBJFE-SECBINFHSA-N 0 3 165.236 2.267 20 0 AEADHN CCC[C@@H]1NCCc2occc21 238277673 344798485 /nfs/dbraw/zinc/79/84/85/344798485.db2.gz IGDIMQVOLDBJFE-VIFPVBQESA-N 0 3 165.236 2.267 20 0 AEADHN CCc1ccc([C@@H](N)CF)cc1 238291630 344798923 /nfs/dbraw/zinc/79/89/23/344798923.db2.gz UREJWKQCUMBSPH-JTQLQIEISA-N 0 3 167.227 2.218 20 0 AEADHN CCOc1ccc([C@H](N)CF)cc1 238297057 344799483 /nfs/dbraw/zinc/79/94/83/344799483.db2.gz OVJGURDWCPPGFB-SNVBAGLBSA-N 0 3 183.226 2.055 20 0 AEADHN CSc1ccc([C@H](N)CF)cc1 238421829 344806150 /nfs/dbraw/zinc/80/61/50/344806150.db2.gz DBBRXICEQQHTJY-SECBINFHSA-N 0 3 185.267 2.378 20 0 AEADHN Cc1ccc([C@@H](N)CF)cc1F 238478728 344808283 /nfs/dbraw/zinc/80/82/83/344808283.db2.gz SVLCEZOPAPVOQO-VIFPVBQESA-N 0 3 171.190 2.103 20 0 AEADHN Cc1ccc([C@H](N)CF)cc1F 238488871 344808927 /nfs/dbraw/zinc/80/89/27/344808927.db2.gz SVLCEZOPAPVOQO-SECBINFHSA-N 0 3 171.190 2.103 20 0 AEADHN Cc1ccc(F)cc1[C@H](N)CF 238498820 344809733 /nfs/dbraw/zinc/80/97/33/344809733.db2.gz ZYYWEEWSQVYAGN-SECBINFHSA-N 0 3 171.190 2.103 20 0 AEADHN CC(=O)CN1CC[C@H]2CCCC[C@H]2C1 252425133 344895494 /nfs/dbraw/zinc/89/54/94/344895494.db2.gz LORWLKQMBRJNMT-NEPJUHHUSA-N 0 3 195.306 2.088 20 0 AEADHN CC(=O)CN1CC[C@@H]2CCCC[C@H]2C1 252425134 344895630 /nfs/dbraw/zinc/89/56/30/344895630.db2.gz LORWLKQMBRJNMT-RYUDHWBXSA-N 0 3 195.306 2.088 20 0 AEADHN CCN(C)Cc1ccc(F)c(F)c1 258982134 344946906 /nfs/dbraw/zinc/94/69/06/344946906.db2.gz COJFYQUKVOSEIJ-UHFFFAOYSA-N 0 3 185.217 2.417 20 0 AEADHN CNCc1nc(C2CCC2)cs1 259057248 344947122 /nfs/dbraw/zinc/94/71/22/344947122.db2.gz AWOYFOWZKBFBNE-UHFFFAOYSA-N 0 3 182.292 2.130 20 0 AEADHN CCN(C)Cc1ccc(OC)c(F)c1 259089508 344947286 /nfs/dbraw/zinc/94/72/86/344947286.db2.gz NMGQHULSYBYQIF-UHFFFAOYSA-N 0 3 197.253 2.286 20 0 AEADHN CC(C)Cc1csc([C@H](C)N)n1 259325283 344948653 /nfs/dbraw/zinc/94/86/53/344948653.db2.gz RYNRTGRMCMEUAJ-ZETCQYMHSA-N 0 3 184.308 2.361 20 0 AEADHN CC1(C)CC[C@H]1NCc1cncs1 306148565 345037293 /nfs/dbraw/zinc/03/72/93/345037293.db2.gz BYNLBKZQEIVCAW-SECBINFHSA-N 0 3 196.319 2.421 20 0 AEADHN CC1(C)CC[C@@H]1NCc1cncs1 306148567 345037382 /nfs/dbraw/zinc/03/73/82/345037382.db2.gz BYNLBKZQEIVCAW-VIFPVBQESA-N 0 3 196.319 2.421 20 0 AEADHN C[C@H](CF)NC1Cc2ccccc2C1 306148773 345037461 /nfs/dbraw/zinc/03/74/61/345037461.db2.gz BLSXXBLRLDCPEA-SECBINFHSA-N 0 3 193.265 2.101 20 0 AEADHN Cc1csc(CN[C@H]2CC[C@@H]2C)n1 306149425 345038465 /nfs/dbraw/zinc/03/84/65/345038465.db2.gz DHMBSOZLGIEVOO-CBAPKCEASA-N 0 3 196.319 2.340 20 0 AEADHN Cc1csc(CN[C@H]2CC[C@H]2C)n1 306149416 345038573 /nfs/dbraw/zinc/03/85/73/345038573.db2.gz DHMBSOZLGIEVOO-APPZFPTMSA-N 0 3 196.319 2.340 20 0 AEADHN C[C@H]1CN(CCC(C)(C)C)CCO1 306165046 345056063 /nfs/dbraw/zinc/05/60/63/345056063.db2.gz HWVKPPOLHKZZHL-JTQLQIEISA-N 0 3 185.311 2.143 20 0 AEADHN Cc1ncsc1CN1CC[C@@H](C)C1 306172270 345063774 /nfs/dbraw/zinc/06/37/74/345063774.db2.gz YWQSNJNULRKWHH-MRVPVSSYSA-N 0 3 196.319 2.293 20 0 AEADHN Cc1ncsc1CN1CC[C@H](C)C1 306172271 345063877 /nfs/dbraw/zinc/06/38/77/345063877.db2.gz YWQSNJNULRKWHH-QMMMGPOBSA-N 0 3 196.319 2.293 20 0 AEADHN Cc1ccoc1CN(C)C1CC1 306179236 345070671 /nfs/dbraw/zinc/07/06/71/345070671.db2.gz ZVJPCLWBZORRGA-UHFFFAOYSA-N 0 3 165.236 2.182 20 0 AEADHN CC(=O)CN1CCCCCCCC1 306213323 345103243 /nfs/dbraw/zinc/10/32/43/345103243.db2.gz ZBDYZDUNWJCMRZ-UHFFFAOYSA-N 0 3 183.295 2.232 20 0 AEADHN CC(C)C1CN(Cc2ccco2)C1 306217418 345109557 /nfs/dbraw/zinc/10/95/57/345109557.db2.gz JWEINCQMGMXDQT-UHFFFAOYSA-N 0 3 179.263 2.367 20 0 AEADHN C[C@H]1CCCCN1Cc1ccno1 306222962 345115757 /nfs/dbraw/zinc/11/57/57/345115757.db2.gz YBZICVKRWWXSBJ-VIFPVBQESA-N 0 3 180.251 2.049 20 0 AEADHN CN(CCF)C1CCCCC1 306225989 345119733 /nfs/dbraw/zinc/11/97/33/345119733.db2.gz VERJIIRQVDBLBI-UHFFFAOYSA-N 0 3 159.248 2.220 20 0 AEADHN CC1CC(NCc2ccc(F)nc2)C1 306228666 345121944 /nfs/dbraw/zinc/12/19/44/345121944.db2.gz XMWIHKRORFHNSK-UHFFFAOYSA-N 0 3 194.253 2.109 20 0 AEADHN C[C@H](N[C@@H]1CCC1(C)C)c1ncc[nH]1 306244351 345136025 /nfs/dbraw/zinc/13/60/25/345136025.db2.gz UGZOUBXTFNRWST-DTWKUNHWSA-N 0 3 193.294 2.249 20 0 AEADHN C[C@H](N[C@H]1CCC1(C)C)c1ncc[nH]1 306244352 345136213 /nfs/dbraw/zinc/13/62/13/345136213.db2.gz UGZOUBXTFNRWST-IUCAKERBSA-N 0 3 193.294 2.249 20 0 AEADHN C[C@H]1CN(CCCF)CCC1(F)F 306261907 345152419 /nfs/dbraw/zinc/15/24/19/345152419.db2.gz WRSVZXKWNGNKGS-QMMMGPOBSA-N 0 3 195.228 2.323 20 0 AEADHN CCCCN1CCOC2(CCC2)C1 306266521 345156042 /nfs/dbraw/zinc/15/60/42/345156042.db2.gz GJMBOTCKLFGHGJ-UHFFFAOYSA-N 0 3 183.295 2.041 20 0 AEADHN CC[C@H](F)CN1CCCCC1 306267078 345156457 /nfs/dbraw/zinc/15/64/57/345156457.db2.gz HNGAGYUACZCWII-VIFPVBQESA-N 0 3 159.248 2.220 20 0 AEADHN CC[C@@H](F)CN1CCCCC1 306267077 345156462 /nfs/dbraw/zinc/15/64/62/345156462.db2.gz HNGAGYUACZCWII-SECBINFHSA-N 0 3 159.248 2.220 20 0 AEADHN C[C@]1(F)CCN(CCC2CC2)C1 306272404 345160392 /nfs/dbraw/zinc/16/03/92/345160392.db2.gz XIQIRUJNWFCJTM-JTQLQIEISA-N 0 3 171.259 2.220 20 0 AEADHN c1c[nH]c(CN2C3CCC2CC3)c1 306274970 345162824 /nfs/dbraw/zinc/16/28/24/345162824.db2.gz KNSRYAQKLTVUKF-UHFFFAOYSA-N 0 3 176.263 2.142 20 0 AEADHN Cc1cc(CN2CCCC2)c(C)o1 306282291 345167663 /nfs/dbraw/zinc/16/76/63/345167663.db2.gz ZBYHFWJGOHHBFS-UHFFFAOYSA-N 0 3 179.263 2.492 20 0 AEADHN C[C@H]1CCN(CCc2cscn2)C1 306299895 345180262 /nfs/dbraw/zinc/18/02/62/345180262.db2.gz YQNWAQSLNMFPFK-VIFPVBQESA-N 0 3 196.319 2.027 20 0 AEADHN Cc1ccc(CNC(C)C)nc1C 306305419 345185332 /nfs/dbraw/zinc/18/53/32/345185332.db2.gz ISQQGMVJFFXLIM-UHFFFAOYSA-N 0 3 178.279 2.196 20 0 AEADHN C[C@H]1CC[C@@H]1NCc1cccc(F)n1 306307972 345187229 /nfs/dbraw/zinc/18/72/29/345187229.db2.gz KHLYOTHXPOZXBO-WPRPVWTQSA-N 0 3 194.253 2.109 20 0 AEADHN C[C@@H]1CC[C@@H]1NCc1cccc(F)n1 306307970 345187356 /nfs/dbraw/zinc/18/73/56/345187356.db2.gz KHLYOTHXPOZXBO-SCZZXKLOSA-N 0 3 194.253 2.109 20 0 AEADHN C[C@@H]1CC[C@H]1NCc1cccc(F)n1 306307969 345187368 /nfs/dbraw/zinc/18/73/68/345187368.db2.gz KHLYOTHXPOZXBO-PSASIEDQSA-N 0 3 194.253 2.109 20 0 AEADHN C[C@H]1CC[C@H]1NCc1cccc(F)n1 306307971 345187532 /nfs/dbraw/zinc/18/75/32/345187532.db2.gz KHLYOTHXPOZXBO-WCBMZHEXSA-N 0 3 194.253 2.109 20 0 AEADHN CC1CC(NCc2ccc(F)cn2)C1 306330208 345207273 /nfs/dbraw/zinc/20/72/73/345207273.db2.gz BKYJTWHGTKPCPV-UHFFFAOYSA-N 0 3 194.253 2.109 20 0 AEADHN CC1(C)CC[C@H]1NCc1ccccn1 306335398 345211891 /nfs/dbraw/zinc/21/18/91/345211891.db2.gz GQUHGXLRZQIUTO-LLVKDONJSA-N 0 3 190.290 2.360 20 0 AEADHN CC1(C)CC[C@@H]1NCc1ccccn1 306335399 345211900 /nfs/dbraw/zinc/21/19/00/345211900.db2.gz GQUHGXLRZQIUTO-NSHDSACASA-N 0 3 190.290 2.360 20 0 AEADHN CC1=CCN(Cc2ccco2)CC1 306361133 345231522 /nfs/dbraw/zinc/23/15/22/345231522.db2.gz OHHHVONIQIWUBU-UHFFFAOYSA-N 0 3 177.247 2.432 20 0 AEADHN CC[C@H](C)N1CCC=C(F)C1 306361342 345232140 /nfs/dbraw/zinc/23/21/40/345232140.db2.gz OXDKXWXSAUARRZ-QMMMGPOBSA-N 0 3 157.232 2.344 20 0 AEADHN C[C@H](NC1CC1)c1ccncc1F 306383261 345248507 /nfs/dbraw/zinc/24/85/07/345248507.db2.gz BVLZFKQOHSENCG-ZETCQYMHSA-N 0 3 180.226 2.034 20 0 AEADHN CC1(C)CC[C@H]1NCc1nccs1 306384211 345249571 /nfs/dbraw/zinc/24/95/71/345249571.db2.gz BYFZGBCLWRNGFS-MRVPVSSYSA-N 0 3 196.319 2.421 20 0 AEADHN CN(Cc1ccncc1)C1CCC1 306388492 345252665 /nfs/dbraw/zinc/25/26/65/345252665.db2.gz VKDKVDVHTHDXIQ-UHFFFAOYSA-N 0 3 176.263 2.066 20 0 AEADHN C[C@H](F)CCN1CC[C@@](C)(F)C1 306388790 345252732 /nfs/dbraw/zinc/25/27/32/345252732.db2.gz VTIJSIGAWWENIO-DTWKUNHWSA-N 0 3 177.238 2.168 20 0 AEADHN C[C@H](F)CCN1CC[C@](C)(F)C1 306388791 345252769 /nfs/dbraw/zinc/25/27/69/345252769.db2.gz VTIJSIGAWWENIO-IUCAKERBSA-N 0 3 177.238 2.168 20 0 AEADHN CO[C@@H](CN)c1ccsc1Cl 306389669 345253074 /nfs/dbraw/zinc/25/30/74/345253074.db2.gz SEAQDDBKDDTBFD-LURJTMIESA-N 0 3 191.683 2.048 20 0 AEADHN CO[C@H](CN)c1ccsc1Cl 306389670 345253403 /nfs/dbraw/zinc/25/34/03/345253403.db2.gz SEAQDDBKDDTBFD-ZCFIWIBFSA-N 0 3 191.683 2.048 20 0 AEADHN Cc1ccnc([C@@H](C)NC(C)C)c1 306429269 345286394 /nfs/dbraw/zinc/28/63/94/345286394.db2.gz OKLXGRGRDAPJBM-SNVBAGLBSA-N 0 3 178.279 2.449 20 0 AEADHN Cc1ccnc([C@H](C)NC(C)C)c1 306429268 345286510 /nfs/dbraw/zinc/28/65/10/345286510.db2.gz OKLXGRGRDAPJBM-JTQLQIEISA-N 0 3 178.279 2.449 20 0 AEADHN CCc1ccc(CN2CCCC2)o1 306442277 345302744 /nfs/dbraw/zinc/30/27/44/345302744.db2.gz KLIUPSWKFHHFPX-UHFFFAOYSA-N 0 3 179.263 2.438 20 0 AEADHN CN(Cc1cccn1C)C1CCC1 306446764 345306924 /nfs/dbraw/zinc/30/69/24/345306924.db2.gz VGPOGDASLNPRIR-UHFFFAOYSA-N 0 3 178.279 2.009 20 0 AEADHN CC[C@]1(C)CCN(CCF)C1 306470703 345333409 /nfs/dbraw/zinc/33/34/09/345333409.db2.gz QVXQURADJWFDIF-SECBINFHSA-N 0 3 159.248 2.078 20 0 AEADHN CC[C@@]1(C)CCN(CCF)C1 306470704 345333438 /nfs/dbraw/zinc/33/34/38/345333438.db2.gz QVXQURADJWFDIF-VIFPVBQESA-N 0 3 159.248 2.078 20 0 AEADHN CC(C)=CCN1CC=CCC1 306470873 345334030 /nfs/dbraw/zinc/33/40/30/345334030.db2.gz YBNLHXFFRGVUBH-UHFFFAOYSA-N 0 3 151.253 2.215 20 0 AEADHN C[C@@H]1CCC[C@@H](NCc2cocn2)C1 306473590 345337266 /nfs/dbraw/zinc/33/72/66/345337266.db2.gz UUCVLRUTDMZKIQ-NXEZZACHSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@H]1CCC[C@@H](NCc2cocn2)C1 306473592 345337594 /nfs/dbraw/zinc/33/75/94/345337594.db2.gz UUCVLRUTDMZKIQ-VHSXEESVSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@H]1CCC[C@H](NCc2cocn2)C1 306473591 345337605 /nfs/dbraw/zinc/33/76/05/345337605.db2.gz UUCVLRUTDMZKIQ-UWVGGRQHSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@@H]1CCC[C@H](NCc2cocn2)C1 306473593 345337727 /nfs/dbraw/zinc/33/77/27/345337727.db2.gz UUCVLRUTDMZKIQ-ZJUUUORDSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@@H]1CCN(CCF)[C@H](C)C1 306474000 345338211 /nfs/dbraw/zinc/33/82/11/345338211.db2.gz VEXWIBLDOXNTQJ-RKDXNWHRSA-N 0 3 159.248 2.076 20 0 AEADHN CCCCN1CCOCC12CCC2 306479870 345347500 /nfs/dbraw/zinc/34/75/00/345347500.db2.gz FCSGHGYEVLFUIS-UHFFFAOYSA-N 0 3 183.295 2.041 20 0 AEADHN CC(C)N1CCCc2occc2C1 306497370 345371678 /nfs/dbraw/zinc/37/16/78/345371678.db2.gz FWUHOWLCFBDATE-UHFFFAOYSA-N 0 3 179.263 2.436 20 0 AEADHN CN(Cc1ccno1)C1CCCC1 306516759 345388093 /nfs/dbraw/zinc/38/80/93/345388093.db2.gz YZKDWDIGSKAHIL-UHFFFAOYSA-N 0 3 180.251 2.049 20 0 AEADHN Cc1nc(CCN2CCCC2)cs1 306524391 345396650 /nfs/dbraw/zinc/39/66/50/345396650.db2.gz YCKPBDKXTDKQOS-UHFFFAOYSA-N 0 3 196.319 2.090 20 0 AEADHN CC(C)=CCN1CCSC[C@H]1C 306529597 345400849 /nfs/dbraw/zinc/40/08/49/345400849.db2.gz IOLPYMVYCWWDMI-SNVBAGLBSA-N 0 3 185.336 2.390 20 0 AEADHN CC(C)=CCN1CCSC[C@@H]1C 306529595 345400894 /nfs/dbraw/zinc/40/08/94/345400894.db2.gz IOLPYMVYCWWDMI-JTQLQIEISA-N 0 3 185.336 2.390 20 0 AEADHN CC[C@@H](F)CN1CCC12CCC2 306533657 345405576 /nfs/dbraw/zinc/40/55/76/345405576.db2.gz NQKWARNSVWDFEV-SECBINFHSA-N 0 3 171.259 2.363 20 0 AEADHN CC1(C)CCN(Cc2cncs2)C1 306547175 345422106 /nfs/dbraw/zinc/42/21/06/345422106.db2.gz WZRPXNUFHXJDLV-UHFFFAOYSA-N 0 3 196.319 2.375 20 0 AEADHN C[C@H]1CCN(Cc2ccco2)C1 306548085 345422768 /nfs/dbraw/zinc/42/27/68/345422768.db2.gz NIUVZFSOJAYLEK-VIFPVBQESA-N 0 3 165.236 2.121 20 0 AEADHN C[C@H]1CC[C@@H](C)[C@@H]1NCc1cocn1 306548285 345422884 /nfs/dbraw/zinc/42/28/84/345422884.db2.gz CSSLBVFJKQPRKP-JZYVYDRUSA-N 0 3 194.278 2.199 20 0 AEADHN C[C@@H]1CC[C@@H](C)C1NCc1cocn1 306548286 345423031 /nfs/dbraw/zinc/42/30/31/345423031.db2.gz CSSLBVFJKQPRKP-RKDXNWHRSA-N 0 3 194.278 2.199 20 0 AEADHN C[C@H]1CC[C@H](C)C1NCc1cocn1 306548283 345423261 /nfs/dbraw/zinc/42/32/61/345423261.db2.gz CSSLBVFJKQPRKP-IUCAKERBSA-N 0 3 194.278 2.199 20 0 AEADHN CC(C)=CCN1CCS[C@H](C)C1 306552392 345428231 /nfs/dbraw/zinc/42/82/31/345428231.db2.gz YDXIFWATCJJHIF-SNVBAGLBSA-N 0 3 185.336 2.390 20 0 AEADHN CC(C)N(C)Cc1cncc(F)c1 306556788 345431999 /nfs/dbraw/zinc/43/19/99/345431999.db2.gz MEPNDCPIGHCMDR-UHFFFAOYSA-N 0 3 182.242 2.061 20 0 AEADHN C[C@H]1CN(Cc2cncs2)C[C@@H]1C 306572688 345449743 /nfs/dbraw/zinc/44/97/43/345449743.db2.gz HSEWTWRLSXGQEV-IUCAKERBSA-N 0 3 196.319 2.231 20 0 AEADHN Cc1ncc(CN[C@@H]2CC[C@@H](C)C2)o1 306574727 345451701 /nfs/dbraw/zinc/45/17/01/345451701.db2.gz JANWQODZKQMCDO-PSASIEDQSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncc(CN[C@H]2CC[C@@H](C)C2)o1 306574728 345451962 /nfs/dbraw/zinc/45/19/62/345451962.db2.gz JANWQODZKQMCDO-SCZZXKLOSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncc(CN[C@@H]2CC[C@H](C)C2)o1 306574729 345452023 /nfs/dbraw/zinc/45/20/23/345452023.db2.gz JANWQODZKQMCDO-WCBMZHEXSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncc(CN[C@H]2CC[C@H](C)C2)o1 306574730 345452069 /nfs/dbraw/zinc/45/20/69/345452069.db2.gz JANWQODZKQMCDO-WPRPVWTQSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ccc(CN2CC[C@H](C)C2)o1 306593007 345470247 /nfs/dbraw/zinc/47/02/47/345470247.db2.gz RLXBUEAZXXYXOM-VIFPVBQESA-N 0 3 179.263 2.430 20 0 AEADHN Cc1ccc(CN2CC[C@@H](C)C2)o1 306593005 345470490 /nfs/dbraw/zinc/47/04/90/345470490.db2.gz RLXBUEAZXXYXOM-SECBINFHSA-N 0 3 179.263 2.430 20 0 AEADHN CN(Cc1ccco1)C1CCC1 306595213 345471928 /nfs/dbraw/zinc/47/19/28/345471928.db2.gz UBEJGNWKDIONPQ-UHFFFAOYSA-N 0 3 165.236 2.264 20 0 AEADHN CCN(C/C=C/Cl)C(C)C 306640867 345509360 /nfs/dbraw/zinc/50/93/60/345509360.db2.gz PYAZYEGLJIHNFU-AATRIKPKSA-N 0 3 161.676 2.469 20 0 AEADHN CC[C@H](C)N1CCOC2(CCC2)C1 306610089 345484462 /nfs/dbraw/zinc/48/44/62/345484462.db2.gz ZREULKPJSDNGHH-JTQLQIEISA-N 0 3 183.295 2.040 20 0 AEADHN CN(Cc1ccco1)[C@H]1CCSC1 306634960 345503328 /nfs/dbraw/zinc/50/33/28/345503328.db2.gz XWQADBLZDIYVRC-VIFPVBQESA-N 0 3 197.303 2.217 20 0 AEADHN CN(Cc1ccco1)[C@@H]1CCSC1 306634959 345503331 /nfs/dbraw/zinc/50/33/31/345503331.db2.gz XWQADBLZDIYVRC-SECBINFHSA-N 0 3 197.303 2.217 20 0 AEADHN CC1(C)CC(NCc2nccs2)C1 306670421 345532669 /nfs/dbraw/zinc/53/26/69/345532669.db2.gz LVWXBZKOOGCQMB-UHFFFAOYSA-N 0 3 196.319 2.421 20 0 AEADHN c1nc(CNC2CCCCC2)co1 306758764 345595350 /nfs/dbraw/zinc/59/53/50/345595350.db2.gz OTKRDLYIHINDOD-UHFFFAOYSA-N 0 3 180.251 2.097 20 0 AEADHN C1CCCC2(CCC1)COCCN2 306776091 345607270 /nfs/dbraw/zinc/60/72/70/345607270.db2.gz XWMJZBIGOXCXHO-UHFFFAOYSA-N 0 3 183.295 2.089 20 0 AEADHN Cc1ccnc([C@H](C)NC2CC2)c1 306784397 345612130 /nfs/dbraw/zinc/61/21/30/345612130.db2.gz HYFBZPKTDHVFDL-VIFPVBQESA-N 0 3 176.263 2.203 20 0 AEADHN Cc1ncccc1CN(C)C(C)C 306822426 345636788 /nfs/dbraw/zinc/63/67/88/345636788.db2.gz NHXXHJATNZIXJR-UHFFFAOYSA-N 0 3 178.279 2.230 20 0 AEADHN Cc1ncc(CN[C@@H]2CCC[C@@H]2C)o1 306835722 345647107 /nfs/dbraw/zinc/64/71/07/345647107.db2.gz RRXHRVGXXDHTIO-GZMMTYOYSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncc(CN[C@@H]2CCC[C@H]2C)o1 306835725 345647125 /nfs/dbraw/zinc/64/71/25/345647125.db2.gz RRXHRVGXXDHTIO-LDYMZIIASA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@H]1CCCN1Cc1ccno1 306945240 345711397 /nfs/dbraw/zinc/71/13/97/345711397.db2.gz KHULREHDHMVGSX-VIFPVBQESA-N 0 3 180.251 2.049 20 0 AEADHN CC[C@@H]1CCCN1Cc1ccno1 306945239 345711419 /nfs/dbraw/zinc/71/14/19/345711419.db2.gz KHULREHDHMVGSX-SECBINFHSA-N 0 3 180.251 2.049 20 0 AEADHN CC(C)N[C@H](C)c1ccncc1F 306953736 345716618 /nfs/dbraw/zinc/71/66/18/345716618.db2.gz IVXMAKRBRWXBIK-MRVPVSSYSA-N 0 3 182.242 2.280 20 0 AEADHN CC(C)N[C@@H](C)c1ccncc1F 306953737 345716776 /nfs/dbraw/zinc/71/67/76/345716776.db2.gz IVXMAKRBRWXBIK-QMMMGPOBSA-N 0 3 182.242 2.280 20 0 AEADHN Cc1ncc(CN[C@@H]2CCC2(C)C)o1 306986651 345735370 /nfs/dbraw/zinc/73/53/70/345735370.db2.gz PGBUTFXJWYMTGK-SNVBAGLBSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncc(CN[C@H]2CCC2(C)C)o1 306986650 345735489 /nfs/dbraw/zinc/73/54/89/345735489.db2.gz PGBUTFXJWYMTGK-JTQLQIEISA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncccc1CN1CCCCC1 306989534 345736944 /nfs/dbraw/zinc/73/69/44/345736944.db2.gz SBPHVLUHRQKXHO-UHFFFAOYSA-N 0 3 190.290 2.376 20 0 AEADHN CCCCN1CCO[C@H]2CCC[C@H]21 307037160 345769810 /nfs/dbraw/zinc/76/98/10/345769810.db2.gz ORPNAURCFCYXIV-MNOVXSKESA-N 0 3 183.295 2.040 20 0 AEADHN CCCCN1CCO[C@@H]2CCC[C@@H]21 307037162 345769895 /nfs/dbraw/zinc/76/98/95/345769895.db2.gz ORPNAURCFCYXIV-WDEREUQCSA-N 0 3 183.295 2.040 20 0 AEADHN CCCCN1CCO[C@H]2CCC[C@@H]21 307037161 345770140 /nfs/dbraw/zinc/77/01/40/345770140.db2.gz ORPNAURCFCYXIV-QWRGUYRKSA-N 0 3 183.295 2.040 20 0 AEADHN C[C@H]1CCCN1Cc1ccco1 307110677 345815578 /nfs/dbraw/zinc/81/55/78/345815578.db2.gz BVRJGZFLHCCKSA-VIFPVBQESA-N 0 3 165.236 2.264 20 0 AEADHN C[C@H]1CCCN1Cc1cncs1 307125794 345824363 /nfs/dbraw/zinc/82/43/63/345824363.db2.gz CKJMNUJMNLFIHN-QMMMGPOBSA-N 0 3 182.292 2.127 20 0 AEADHN Cc1cc(CNC2CC(C)(C)C2)on1 307139257 345833278 /nfs/dbraw/zinc/83/32/78/345833278.db2.gz HRFVTIBHPGCVSJ-UHFFFAOYSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1cc2c(C)ccc(N)c2cn1 307274368 345940433 /nfs/dbraw/zinc/94/04/33/345940433.db2.gz NBNJMEKLIDXLJO-UHFFFAOYSA-N 0 3 172.231 2.434 20 0 AEADHN CCC(C)(C)Oc1cnccc1N 307295451 345952908 /nfs/dbraw/zinc/95/29/08/345952908.db2.gz NQNSGVVMSDCXQN-UHFFFAOYSA-N 0 3 180.251 2.231 20 0 AEADHN CC1CCC(NCc2cocn2)CC1 307300654 345955493 /nfs/dbraw/zinc/95/54/93/345955493.db2.gz SNGJJEPFOZMIOD-UHFFFAOYSA-N 0 3 194.278 2.343 20 0 AEADHN CCCCN1C[C@@H](C)OC(C)(C)C1 307316600 345966482 /nfs/dbraw/zinc/96/64/82/345966482.db2.gz JOUXACDCMGEGMA-SNVBAGLBSA-N 0 3 185.311 2.286 20 0 AEADHN CCCCN1C[C@H](C)OC(C)(C)C1 307316595 345966812 /nfs/dbraw/zinc/96/68/12/345966812.db2.gz JOUXACDCMGEGMA-JTQLQIEISA-N 0 3 185.311 2.286 20 0 AEADHN Cc1cncc([C@@H](C)NC2CC2)c1 307323742 345971167 /nfs/dbraw/zinc/97/11/67/345971167.db2.gz JGXOVNIADJHKEJ-SECBINFHSA-N 0 3 176.263 2.203 20 0 AEADHN Cc1cncc([C@H](C)NC2CC2)c1 307323747 345971236 /nfs/dbraw/zinc/97/12/36/345971236.db2.gz JGXOVNIADJHKEJ-VIFPVBQESA-N 0 3 176.263 2.203 20 0 AEADHN CCCN1CCCc2occc2C1 307344232 345983779 /nfs/dbraw/zinc/98/37/79/345983779.db2.gz JPKFBMUTIHDVCA-UHFFFAOYSA-N 0 3 179.263 2.438 20 0 AEADHN Cc1c[nH]nc1CNC1(C)CCCC1 307352411 345989396 /nfs/dbraw/zinc/98/93/96/345989396.db2.gz BFQKSBIHAFYOOV-UHFFFAOYSA-N 0 3 193.294 2.140 20 0 AEADHN Cc1cnccc1CN[C@H]1CC1(C)C 307361905 345995164 /nfs/dbraw/zinc/99/51/64/345995164.db2.gz FNXTYGVVTJQGTP-NSHDSACASA-N 0 3 190.290 2.278 20 0 AEADHN C[C@H]1C[C@H](NC2CCC2)c2nccn21 307376920 346004278 /nfs/dbraw/zinc/00/42/78/346004278.db2.gz WFJGBGUADDOANT-WPRPVWTQSA-N 0 3 191.278 2.031 20 0 AEADHN C[C@H]1C[C@@H](NC2CCC2)c2nccn21 307376919 346004407 /nfs/dbraw/zinc/00/44/07/346004407.db2.gz WFJGBGUADDOANT-WCBMZHEXSA-N 0 3 191.278 2.031 20 0 AEADHN C[C@@H]1C[C@@H](NC/C=C/Cl)CS1 307381799 346006238 /nfs/dbraw/zinc/00/62/38/346006238.db2.gz ZMYDQELYZXEVEX-YEMZYZDBSA-N 0 3 191.727 2.223 20 0 AEADHN C[C@@H]1C[C@H](NC/C=C/Cl)CS1 307381798 346006606 /nfs/dbraw/zinc/00/66/06/346006606.db2.gz ZMYDQELYZXEVEX-TZIBCRCASA-N 0 3 191.727 2.223 20 0 AEADHN C[C@@H]1CSC[C@H]1NC/C=C/Cl 307413777 346027945 /nfs/dbraw/zinc/02/79/45/346027945.db2.gz SIMAVUIFJPWRFW-YEMZYZDBSA-N 0 3 191.727 2.080 20 0 AEADHN C[C@@H]1CSC[C@@H]1NC/C=C/Cl 307413775 346028007 /nfs/dbraw/zinc/02/80/07/346028007.db2.gz SIMAVUIFJPWRFW-TZIBCRCASA-N 0 3 191.727 2.080 20 0 AEADHN C[C@H]1CSC[C@@H]1NCc1ccco1 307505657 346079925 /nfs/dbraw/zinc/07/99/25/346079925.db2.gz LDZAQDVIIVELRS-WPRPVWTQSA-N 0 3 197.303 2.121 20 0 AEADHN C[C@H]1CSC[C@H]1NCc1ccco1 307505654 346080075 /nfs/dbraw/zinc/08/00/75/346080075.db2.gz LDZAQDVIIVELRS-WCBMZHEXSA-N 0 3 197.303 2.121 20 0 AEADHN CC[C@H](F)CN1CCC=C(C)C1 307524565 346091339 /nfs/dbraw/zinc/09/13/39/346091339.db2.gz DBBVPYBQAMAGMR-JTQLQIEISA-N 0 3 171.259 2.387 20 0 AEADHN CC[C@@H](F)CN1CCC=C(C)C1 307524567 346091571 /nfs/dbraw/zinc/09/15/71/346091571.db2.gz DBBVPYBQAMAGMR-SNVBAGLBSA-N 0 3 171.259 2.387 20 0 AEADHN C[C@H](NC1CCCC1)c1ccncn1 307545585 346103787 /nfs/dbraw/zinc/10/37/87/346103787.db2.gz KAZWYDZQVICVHT-VIFPVBQESA-N 0 3 191.278 2.070 20 0 AEADHN CC[C@H](C)N1CCO[C@@H](C(C)C)C1 307577483 346124605 /nfs/dbraw/zinc/12/46/05/346124605.db2.gz MBLPGOWSKOJTMP-WDEREUQCSA-N 0 3 185.311 2.142 20 0 AEADHN CC[C@H](C)N1CCO[C@H](C(C)C)C1 307577477 346124625 /nfs/dbraw/zinc/12/46/25/346124625.db2.gz MBLPGOWSKOJTMP-QWRGUYRKSA-N 0 3 185.311 2.142 20 0 AEADHN CCCCN1CC[C@](C)(F)C1 307578465 346125109 /nfs/dbraw/zinc/12/51/09/346125109.db2.gz NSDMHNNCZJVRLE-VIFPVBQESA-N 0 3 159.248 2.220 20 0 AEADHN CCCCN1CC[C@@](C)(F)C1 307578464 346125284 /nfs/dbraw/zinc/12/52/84/346125284.db2.gz NSDMHNNCZJVRLE-SECBINFHSA-N 0 3 159.248 2.220 20 0 AEADHN Cc1ncsc1CN(C)C1CCC1 307604864 346141709 /nfs/dbraw/zinc/14/17/09/346141709.db2.gz XCVOPDRBZAVGKX-UHFFFAOYSA-N 0 3 196.319 2.436 20 0 AEADHN CC[C@H](F)CN1CC=C(C)CC1 307662696 346170683 /nfs/dbraw/zinc/17/06/83/346170683.db2.gz HVOYXIRSPKOFCM-JTQLQIEISA-N 0 3 171.259 2.387 20 0 AEADHN CC[C@@H](F)CN1CC=C(C)CC1 307662697 346170724 /nfs/dbraw/zinc/17/07/24/346170724.db2.gz HVOYXIRSPKOFCM-SNVBAGLBSA-N 0 3 171.259 2.387 20 0 AEADHN C[C@H](c1cccnc1)N1CCCC1 307682624 346180843 /nfs/dbraw/zinc/18/08/43/346180843.db2.gz RUDHPMICSCXLNV-SNVBAGLBSA-N 0 3 176.263 2.238 20 0 AEADHN C[C@H]1CC[C@H](C)N1Cc1ccno1 307685214 346182510 /nfs/dbraw/zinc/18/25/10/346182510.db2.gz XUAWDFOQKLWXSP-IUCAKERBSA-N 0 3 180.251 2.047 20 0 AEADHN C[C@H]1[C@H](C)CCN1Cc1cncs1 307719821 346201388 /nfs/dbraw/zinc/20/13/88/346201388.db2.gz NVGBWJLTRTXKDS-BDAKNGLRSA-N 0 3 196.319 2.373 20 0 AEADHN C[C@H]1CCN(Cc2cncs2)[C@H]1C 307719823 346201393 /nfs/dbraw/zinc/20/13/93/346201393.db2.gz NVGBWJLTRTXKDS-IUCAKERBSA-N 0 3 196.319 2.373 20 0 AEADHN C[C@H]1CCN(Cc2cncs2)[C@@H]1C 307719822 346201572 /nfs/dbraw/zinc/20/15/72/346201572.db2.gz NVGBWJLTRTXKDS-DTWKUNHWSA-N 0 3 196.319 2.373 20 0 AEADHN CC(C)[C@@H]1CCN1Cc1cncs1 307721678 346202620 /nfs/dbraw/zinc/20/26/20/346202620.db2.gz RAARGIIBXYUQBW-JTQLQIEISA-N 0 3 196.319 2.373 20 0 AEADHN CC(C)[C@H]1CCN1Cc1cncs1 307721679 346202767 /nfs/dbraw/zinc/20/27/67/346202767.db2.gz RAARGIIBXYUQBW-SNVBAGLBSA-N 0 3 196.319 2.373 20 0 AEADHN C[C@H]1COCCN1CCC(C)(C)C 307722455 346202942 /nfs/dbraw/zinc/20/29/42/346202942.db2.gz SJPYSPRUTFECNF-JTQLQIEISA-N 0 3 185.311 2.143 20 0 AEADHN C[C@H]1C[C@@H](C)CN1Cc1cncs1 307725625 346204734 /nfs/dbraw/zinc/20/47/34/346204734.db2.gz BDYYHYNSMJGZLP-BDAKNGLRSA-N 0 3 196.319 2.373 20 0 AEADHN C[C@H]1C[C@@H](C)N(Cc2cncs2)C1 307725626 346204770 /nfs/dbraw/zinc/20/47/70/346204770.db2.gz BDYYHYNSMJGZLP-DTWKUNHWSA-N 0 3 196.319 2.373 20 0 AEADHN C[C@H]1C[C@H](C)N(Cc2cncs2)C1 307725628 346205301 /nfs/dbraw/zinc/20/53/01/346205301.db2.gz BDYYHYNSMJGZLP-IUCAKERBSA-N 0 3 196.319 2.373 20 0 AEADHN C[C@H](F)CCN1CCS[C@H](C)C1 307726706 346205517 /nfs/dbraw/zinc/20/55/17/346205517.db2.gz CLDWYIBBFYNSOP-DTWKUNHWSA-N 0 3 191.315 2.172 20 0 AEADHN C[C@H](F)CCN1CCS[C@@H](C)C1 307726708 346205797 /nfs/dbraw/zinc/20/57/97/346205797.db2.gz CLDWYIBBFYNSOP-IUCAKERBSA-N 0 3 191.315 2.172 20 0 AEADHN C[C@H]1CN(CC[C@@H](C)F)CCS1 307726704 346205864 /nfs/dbraw/zinc/20/58/64/346205864.db2.gz CLDWYIBBFYNSOP-BDAKNGLRSA-N 0 3 191.315 2.172 20 0 AEADHN C[C@H]1Cc2ccccc2[C@@H]1NCCF 307745188 346215362 /nfs/dbraw/zinc/21/53/62/346215362.db2.gz RACOEWHEDANLFP-JOYOIKCWSA-N 0 3 193.265 2.479 20 0 AEADHN C[C@H]1Cc2ccccc2[C@H]1NCCF 307745187 346215391 /nfs/dbraw/zinc/21/53/91/346215391.db2.gz RACOEWHEDANLFP-CABZTGNLSA-N 0 3 193.265 2.479 20 0 AEADHN C[C@H]1CCCN1Cc1cccnc1 307759621 346226618 /nfs/dbraw/zinc/22/66/18/346226618.db2.gz SKKDUNZHJGYFLZ-JTQLQIEISA-N 0 3 176.263 2.066 20 0 AEADHN CN(C)CCSCC1CCC1 307897886 346233106 /nfs/dbraw/zinc/23/31/06/346233106.db2.gz KEIOFNSCOWIOIX-UHFFFAOYSA-N 0 3 173.325 2.081 20 0 AEADHN CN(C)CCSCCC1CC1 307898894 346233371 /nfs/dbraw/zinc/23/33/71/346233371.db2.gz LFJSQOPCLAJSMA-UHFFFAOYSA-N 0 3 173.325 2.081 20 0 AEADHN CCCCCSCCN(C)C 307902109 346233920 /nfs/dbraw/zinc/23/39/20/346233920.db2.gz OBPYCYADWBEREC-UHFFFAOYSA-N 0 3 175.341 2.471 20 0 AEADHN CN(C)CCSCCCCCF 308148571 346261461 /nfs/dbraw/zinc/26/14/61/346261461.db2.gz LLBIATJCFCBOTC-UHFFFAOYSA-N 0 3 193.331 2.421 20 0 AEADHN CN(C)CCSCC1CCCC1 308150360 346262085 /nfs/dbraw/zinc/26/20/85/346262085.db2.gz MMEWFBVIUNYPNT-UHFFFAOYSA-N 0 3 187.352 2.471 20 0 AEADHN CC[C@H]1COCCN1CCC(C)C 308240025 346273680 /nfs/dbraw/zinc/27/36/80/346273680.db2.gz SFUFIKKCHOKOCO-NSHDSACASA-N 0 3 185.311 2.143 20 0 AEADHN CC[C@@H]1COCCN1CCC(C)C 308240023 346273968 /nfs/dbraw/zinc/27/39/68/346273968.db2.gz SFUFIKKCHOKOCO-LLVKDONJSA-N 0 3 185.311 2.143 20 0 AEADHN CCCCN1C[C@H](CC)O[C@H](C)C1 308244166 346274493 /nfs/dbraw/zinc/27/44/93/346274493.db2.gz UGPNPVOPTVKYSV-MNOVXSKESA-N 0 3 185.311 2.286 20 0 AEADHN CCCCN1C[C@@H](C)O[C@H](CC)C1 308244165 346274548 /nfs/dbraw/zinc/27/45/48/346274548.db2.gz UGPNPVOPTVKYSV-GHMZBOCLSA-N 0 3 185.311 2.286 20 0 AEADHN CCCCN1C[C@H](C)O[C@@H](CC)C1 308244167 346274631 /nfs/dbraw/zinc/27/46/31/346274631.db2.gz UGPNPVOPTVKYSV-QWRGUYRKSA-N 0 3 185.311 2.286 20 0 AEADHN CCCCCN1CCOC[C@H]1CC 308248343 346275147 /nfs/dbraw/zinc/27/51/47/346275147.db2.gz ZFXQMAJLZZFZDW-LLVKDONJSA-N 0 3 185.311 2.287 20 0 AEADHN CCCCCN1CCOC[C@@H]1CC 308248344 346275283 /nfs/dbraw/zinc/27/52/83/346275283.db2.gz ZFXQMAJLZZFZDW-NSHDSACASA-N 0 3 185.311 2.287 20 0 AEADHN CN(Cc1ccno1)CC(C)(C)C 308255870 346277457 /nfs/dbraw/zinc/27/74/57/346277457.db2.gz JDYWICWKGCIMCN-UHFFFAOYSA-N 0 3 182.267 2.153 20 0 AEADHN CCC(C)(C)N(C)Cc1ccno1 308287130 346282027 /nfs/dbraw/zinc/28/20/27/346282027.db2.gz DZALBAJRRJSMQI-UHFFFAOYSA-N 0 3 182.267 2.295 20 0 AEADHN CSCCCNCc1ccoc1C 308316944 346287704 /nfs/dbraw/zinc/28/77/04/346287704.db2.gz XOFSXAVZQATGCF-UHFFFAOYSA-N 0 3 199.319 2.431 20 0 AEADHN CCN(Cc1ccno1)CC(C)C 308367124 346293134 /nfs/dbraw/zinc/29/31/34/346293134.db2.gz OOALMRDZQPPEIL-UHFFFAOYSA-N 0 3 182.267 2.153 20 0 AEADHN CCCC(C)(C)NCc1ccon1 308376878 346294516 /nfs/dbraw/zinc/29/45/16/346294516.db2.gz SRPXLAADSMCUMT-UHFFFAOYSA-N 0 3 182.267 2.343 20 0 AEADHN CN(C)CCSc1ccc(F)cc1 308442206 346304032 /nfs/dbraw/zinc/30/40/32/346304032.db2.gz ZIZNLIKTZHEZGS-UHFFFAOYSA-N 0 3 199.294 2.479 20 0 AEADHN COCCNC(C)(C)c1ccccc1 308548973 346311484 /nfs/dbraw/zinc/31/14/84/346311484.db2.gz PAPZSKGJMLMTHI-UHFFFAOYSA-N 0 3 193.290 2.158 20 0 AEADHN CO[C@H](C)CCNCc1ccc(C)o1 308599690 346314394 /nfs/dbraw/zinc/31/43/94/346314394.db2.gz NWPKXKKBXDSJNQ-SECBINFHSA-N 0 3 197.278 2.103 20 0 AEADHN CO[C@@H](C)CCNCc1ccc(C)o1 308599691 346314401 /nfs/dbraw/zinc/31/44/01/346314401.db2.gz NWPKXKKBXDSJNQ-VIFPVBQESA-N 0 3 197.278 2.103 20 0 AEADHN CC(C)n1ccnc1CNC(C)(C)C 308675335 346317599 /nfs/dbraw/zinc/31/75/99/346317599.db2.gz WBLTUSKSCAYNCY-UHFFFAOYSA-N 0 3 195.310 2.352 20 0 AEADHN CSCCNCc1ccoc1C 321483079 346322334 /nfs/dbraw/zinc/32/23/34/346322334.db2.gz JEXKBVCRZNAIKI-UHFFFAOYSA-N 0 3 185.292 2.041 20 0 AEADHN CS[C@@H](C)CNCc1ccoc1C 321338628 346322633 /nfs/dbraw/zinc/32/26/33/346322633.db2.gz AWTMERYPCWWTIY-QMMMGPOBSA-N 0 3 199.319 2.429 20 0 AEADHN CSC[C@@H](C)NCc1ccoc1C 321539089 346322740 /nfs/dbraw/zinc/32/27/40/346322740.db2.gz KRHURKVVPFRGFY-MRVPVSSYSA-N 0 3 199.319 2.429 20 0 AEADHN CSC[C@H](C)NCc1ccoc1C 321539095 346322767 /nfs/dbraw/zinc/32/27/67/346322767.db2.gz KRHURKVVPFRGFY-QMMMGPOBSA-N 0 3 199.319 2.429 20 0 AEADHN CS[C@H](C)CNCc1ccoc1C 321338625 346322915 /nfs/dbraw/zinc/32/29/15/346322915.db2.gz AWTMERYPCWWTIY-MRVPVSSYSA-N 0 3 199.319 2.429 20 0 AEADHN CC1=CCN(C[C@H]2CC[C@H](C)O2)CC1 334143979 346326734 /nfs/dbraw/zinc/32/67/34/346326734.db2.gz SBSKQMCPQODTBZ-NWDGAFQWSA-N 0 3 195.306 2.206 20 0 AEADHN CC1=CCN(C[C@H]2CC[C@@H](C)O2)CC1 334143981 346326816 /nfs/dbraw/zinc/32/68/16/346326816.db2.gz SBSKQMCPQODTBZ-VXGBXAGGSA-N 0 3 195.306 2.206 20 0 AEADHN CC1=CCN(C[C@@H]2CC[C@H](C)O2)CC1 334143980 346326930 /nfs/dbraw/zinc/32/69/30/346326930.db2.gz SBSKQMCPQODTBZ-RYUDHWBXSA-N 0 3 195.306 2.206 20 0 AEADHN CC1=CCN(C[C@@H]2CC[C@@H](C)O2)CC1 334143978 346327007 /nfs/dbraw/zinc/32/70/07/346327007.db2.gz SBSKQMCPQODTBZ-NEPJUHHUSA-N 0 3 195.306 2.206 20 0 AEADHN C[C@H]1COCCN1C[C@H]1CC=CCC1 334165377 346328774 /nfs/dbraw/zinc/32/87/74/346328774.db2.gz AHPVZENVPFOCBW-RYUDHWBXSA-N 0 3 195.306 2.063 20 0 AEADHN C[C@H]1COCCN1C[C@@H]1CC=CCC1 334165371 346328908 /nfs/dbraw/zinc/32/89/08/346328908.db2.gz AHPVZENVPFOCBW-NWDGAFQWSA-N 0 3 195.306 2.063 20 0 AEADHN CN(Cc1ccno1)C1CCCCC1 334167458 346328994 /nfs/dbraw/zinc/32/89/94/346328994.db2.gz AULRMQRWCGCZSR-UHFFFAOYSA-N 0 3 194.278 2.439 20 0 AEADHN CC[C@@H]1CCCN(Cc2c[nH]cn2)C1 334180929 346329619 /nfs/dbraw/zinc/32/96/19/346329619.db2.gz DRMDAZQMYZEPNA-SNVBAGLBSA-N 0 3 193.294 2.032 20 0 AEADHN CC[C@H]1CCCN(Cc2c[nH]cn2)C1 334180921 346329963 /nfs/dbraw/zinc/32/99/63/346329963.db2.gz DRMDAZQMYZEPNA-JTQLQIEISA-N 0 3 193.294 2.032 20 0 AEADHN CC[C@H]1CCCCN1Cc1ccno1 334195515 346331229 /nfs/dbraw/zinc/33/12/29/346331229.db2.gz MDFBHZRUBKEHEJ-JTQLQIEISA-N 0 3 194.278 2.439 20 0 AEADHN CC[C@@H]1CCCCN1Cc1ccno1 334195516 346331266 /nfs/dbraw/zinc/33/12/66/346331266.db2.gz MDFBHZRUBKEHEJ-SNVBAGLBSA-N 0 3 194.278 2.439 20 0 AEADHN CC[C@@H]1C[C@H](C)CN1Cc1cc[nH]n1 334206766 346332345 /nfs/dbraw/zinc/33/23/45/346332345.db2.gz JFVPYJHLVRRFNJ-GXSJLCMTSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@H]1C[C@@H](C)CN1Cc1cc[nH]n1 334206773 346332555 /nfs/dbraw/zinc/33/25/55/346332555.db2.gz JFVPYJHLVRRFNJ-KOLCDFICSA-N 0 3 193.294 2.030 20 0 AEADHN CC1(C)CCN(Cc2ccccn2)C1 334212672 346332566 /nfs/dbraw/zinc/33/25/66/346332566.db2.gz IEKPGBYICZUOKH-UHFFFAOYSA-N 0 3 190.290 2.314 20 0 AEADHN CC[C@H]1C[C@H](C)CN1Cc1cc[nH]n1 334206786 346332659 /nfs/dbraw/zinc/33/26/59/346332659.db2.gz JFVPYJHLVRRFNJ-ONGXEEELSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@@H]1C[C@@H](C)CN1Cc1cc[nH]n1 334206777 346332683 /nfs/dbraw/zinc/33/26/83/346332683.db2.gz JFVPYJHLVRRFNJ-MWLCHTKSSA-N 0 3 193.294 2.030 20 0 AEADHN Cc1n[nH]c(C)c1CN(C)C1CCC1 334236007 346333601 /nfs/dbraw/zinc/33/36/01/346333601.db2.gz HJNQSLLYTROEDR-UHFFFAOYSA-N 0 3 193.294 2.011 20 0 AEADHN CC(C)[C@H]1CCN1Cc1cccnc1 334231528 346333616 /nfs/dbraw/zinc/33/36/16/346333616.db2.gz UPIDQSMVTNNZRA-GFCCVEGCSA-N 0 3 190.290 2.312 20 0 AEADHN CC(C)[C@@H]1CCN1Cc1cccnc1 334231529 346333705 /nfs/dbraw/zinc/33/37/05/346333705.db2.gz UPIDQSMVTNNZRA-LBPRGKRZSA-N 0 3 190.290 2.312 20 0 AEADHN CCc1noc(C)c1CN1CCCC1 334231953 346333768 /nfs/dbraw/zinc/33/37/68/346333768.db2.gz VLDWMTHZGDCSIG-UHFFFAOYSA-N 0 3 194.278 2.141 20 0 AEADHN CC1(C)CCN(Cc2ccno2)CC1 334260699 346336216 /nfs/dbraw/zinc/33/62/16/346336216.db2.gz WPYNZSNVYFOURV-UHFFFAOYSA-N 0 3 194.278 2.297 20 0 AEADHN CCC1CCN(Cc2ccno2)CC1 334275108 346336877 /nfs/dbraw/zinc/33/68/77/346336877.db2.gz BOXBCKZLPQOZOL-UHFFFAOYSA-N 0 3 194.278 2.297 20 0 AEADHN CC1(C)CCCN(Cc2ccno2)C1 334278040 346336919 /nfs/dbraw/zinc/33/69/19/346336919.db2.gz DUELIHGJHUYYJH-UHFFFAOYSA-N 0 3 194.278 2.297 20 0 AEADHN CC1=CCN(C[C@H]2CCCCO2)CC1 334273695 346337069 /nfs/dbraw/zinc/33/70/69/346337069.db2.gz ZQHYONNDIQQSRT-GFCCVEGCSA-N 0 3 195.306 2.208 20 0 AEADHN CC1=CCN(C[C@@H]2CCCCO2)CC1 334273696 346337142 /nfs/dbraw/zinc/33/71/42/346337142.db2.gz ZQHYONNDIQQSRT-LBPRGKRZSA-N 0 3 195.306 2.208 20 0 AEADHN CC(C)[C@H]1CCCN1Cc1ccno1 334285267 346338221 /nfs/dbraw/zinc/33/82/21/346338221.db2.gz KEZJYUXEUCSBDQ-LLVKDONJSA-N 0 3 194.278 2.295 20 0 AEADHN CC(C)[C@@H]1CCCN1Cc1ccno1 334285269 346338304 /nfs/dbraw/zinc/33/83/04/346338304.db2.gz KEZJYUXEUCSBDQ-NSHDSACASA-N 0 3 194.278 2.295 20 0 AEADHN CC1(C)CCN(Cc2ccncc2)C1 334305060 346338948 /nfs/dbraw/zinc/33/89/48/346338948.db2.gz GCQUWRTYQMGUGO-UHFFFAOYSA-N 0 3 190.290 2.314 20 0 AEADHN CC1(C)CCN(Cc2c[nH]cn2)CC1 334304127 346339254 /nfs/dbraw/zinc/33/92/54/346339254.db2.gz FWVBJZIHSPMARZ-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CC1(C)CCN(Cc2cnc[nH]2)CC1 334304127 346339255 /nfs/dbraw/zinc/33/92/55/346339255.db2.gz FWVBJZIHSPMARZ-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CCc1ccc(CN2CCCC2)cn1 334315453 346339581 /nfs/dbraw/zinc/33/95/81/346339581.db2.gz NOJZZZJOHZBGAV-UHFFFAOYSA-N 0 3 190.290 2.240 20 0 AEADHN CC[C@H]1CN(C2CCCC2)C[C@@H](C)O1 334339801 346341432 /nfs/dbraw/zinc/34/14/32/346341432.db2.gz BSIODDQABVCFRX-PWSUYJOCSA-N 0 3 197.322 2.428 20 0 AEADHN CC[C@H]1CN(C2CCCC2)C[C@H](C)O1 334339800 346341525 /nfs/dbraw/zinc/34/15/25/346341525.db2.gz BSIODDQABVCFRX-JQWIXIFHSA-N 0 3 197.322 2.428 20 0 AEADHN CC[C@@H]1CN(C2CCCC2)C[C@H](C)O1 334339799 346341799 /nfs/dbraw/zinc/34/17/99/346341799.db2.gz BSIODDQABVCFRX-CMPLNLGQSA-N 0 3 197.322 2.428 20 0 AEADHN CC[C@@H]1CN(C2CCCC2)C[C@@H](C)O1 334339802 346341834 /nfs/dbraw/zinc/34/18/34/346341834.db2.gz BSIODDQABVCFRX-ZYHUDNBSSA-N 0 3 197.322 2.428 20 0 AEADHN CC(C)[C@H]1CCCN1Cc1c[nH]cn1 334356834 346342662 /nfs/dbraw/zinc/34/26/62/346342662.db2.gz OFPDVANLWZCAAQ-LLVKDONJSA-N 0 3 193.294 2.030 20 0 AEADHN CC(C)[C@@H]1CCCN1Cc1c[nH]cn1 334356835 346342811 /nfs/dbraw/zinc/34/28/11/346342811.db2.gz OFPDVANLWZCAAQ-NSHDSACASA-N 0 3 193.294 2.030 20 0 AEADHN Cc1cccnc1CN(C)C1CCC1 334363138 346342930 /nfs/dbraw/zinc/34/29/30/346342930.db2.gz DTKJHQUQSWLQNY-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN Cc1n[nH]cc1CN1CCCC[C@@H]1C 334395872 346345280 /nfs/dbraw/zinc/34/52/80/346345280.db2.gz CAFLGRDLPIGTLY-VIFPVBQESA-N 0 3 193.294 2.093 20 0 AEADHN Cc1n[nH]cc1CN1CCCC[C@H]1C 334395871 346345448 /nfs/dbraw/zinc/34/54/48/346345448.db2.gz CAFLGRDLPIGTLY-SECBINFHSA-N 0 3 193.294 2.093 20 0 AEADHN C[C@H]1CCCN(Cc2ccno2)CC1 334410122 346345711 /nfs/dbraw/zinc/34/57/11/346345711.db2.gz JJBMANWQTVAWDJ-JTQLQIEISA-N 0 3 194.278 2.297 20 0 AEADHN CC[C@@H]1C[C@@H](C)CN1Cc1c[nH]cn1 334439625 346347529 /nfs/dbraw/zinc/34/75/29/346347529.db2.gz UZHFWFXXASASOQ-MWLCHTKSSA-N 0 3 193.294 2.030 20 0 AEADHN CC(C)N1CCOC2(CCCCC2)C1 334442462 346347667 /nfs/dbraw/zinc/34/76/67/346347667.db2.gz LQSUVJZNXIJMJY-UHFFFAOYSA-N 0 3 197.322 2.430 20 0 AEADHN CC[C@@H]1C[C@H](C)CN1Cc1c[nH]cn1 334439623 346347687 /nfs/dbraw/zinc/34/76/87/346347687.db2.gz UZHFWFXXASASOQ-GXSJLCMTSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@H]1C[C@H](C)CN1Cc1c[nH]cn1 334439626 346347768 /nfs/dbraw/zinc/34/77/68/346347768.db2.gz UZHFWFXXASASOQ-ONGXEEELSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@H]1C[C@@H](C)CN1Cc1c[nH]cn1 334439624 346347816 /nfs/dbraw/zinc/34/78/16/346347816.db2.gz UZHFWFXXASASOQ-KOLCDFICSA-N 0 3 193.294 2.030 20 0 AEADHN CC(C)[C@@H]1CCN1Cc1ccncc1 334514932 346351156 /nfs/dbraw/zinc/35/11/56/346351156.db2.gz MDZNDUWGGFJHON-LBPRGKRZSA-N 0 3 190.290 2.312 20 0 AEADHN CC(C)NCc1ccc2c(n1)CCC2 334517395 346351330 /nfs/dbraw/zinc/35/13/30/346351330.db2.gz GYUZEIBHBMRNNV-UHFFFAOYSA-N 0 3 190.290 2.068 20 0 AEADHN CCC1CN(Cc2cccc(O)c2)C1 334521841 346351622 /nfs/dbraw/zinc/35/16/22/346351622.db2.gz FSRVMBFMTPGUHP-UHFFFAOYSA-N 0 3 191.274 2.234 20 0 AEADHN CCC1CN(Cc2cccnc2C)C1 334522255 346351678 /nfs/dbraw/zinc/35/16/78/346351678.db2.gz MMSLVDQUKJFCJO-UHFFFAOYSA-N 0 3 190.290 2.232 20 0 AEADHN CC(C)[C@H]1CCN1Cc1ccncc1 334514930 346351731 /nfs/dbraw/zinc/35/17/31/346351731.db2.gz MDZNDUWGGFJHON-GFCCVEGCSA-N 0 3 190.290 2.312 20 0 AEADHN CCC1CN(Cc2ccncc2C)C1 334522197 346351748 /nfs/dbraw/zinc/35/17/48/346351748.db2.gz LDTLSESLCIPZQF-UHFFFAOYSA-N 0 3 190.290 2.232 20 0 AEADHN CCC1CN(Cc2ccc(C)o2)C1 334522987 346352486 /nfs/dbraw/zinc/35/24/86/346352486.db2.gz VKTSJCXVONEEOG-UHFFFAOYSA-N 0 3 179.263 2.430 20 0 AEADHN C[C@H]1CCN(CC2CC2)[C@@H](C(N)=O)C1 334537809 346353115 /nfs/dbraw/zinc/35/31/15/346353115.db2.gz QYXHDHAIOPYNIR-WCBMZHEXSA-N 0 3 196.294 2.032 20 0 AEADHN C[C@H]1CCN(CC2CC2)[C@H](C(N)=O)C1 334537810 346353361 /nfs/dbraw/zinc/35/33/61/346353361.db2.gz QYXHDHAIOPYNIR-WPRPVWTQSA-N 0 3 196.294 2.032 20 0 AEADHN CC[C@H]1CC[C@@H](C)N1Cc1cc[nH]n1 334589526 346355608 /nfs/dbraw/zinc/35/56/08/346355608.db2.gz AWNJBOXZDOGMBF-KOLCDFICSA-N 0 3 193.294 2.173 20 0 AEADHN CC[C@@H]1CC[C@@H](C)N1Cc1cc[nH]n1 334589527 346355795 /nfs/dbraw/zinc/35/57/95/346355795.db2.gz AWNJBOXZDOGMBF-MWLCHTKSSA-N 0 3 193.294 2.173 20 0 AEADHN CC[C@H]1CC[C@H](C)N1Cc1cc[nH]n1 334589528 346355852 /nfs/dbraw/zinc/35/58/52/346355852.db2.gz AWNJBOXZDOGMBF-ONGXEEELSA-N 0 3 193.294 2.173 20 0 AEADHN CC[C@@H]1CC[C@H](C)N1Cc1cc[nH]n1 334589525 346355911 /nfs/dbraw/zinc/35/59/11/346355911.db2.gz AWNJBOXZDOGMBF-GXSJLCMTSA-N 0 3 193.294 2.173 20 0 AEADHN C[C@H](N)c1nc(CC2CC2)cs1 334604706 346356626 /nfs/dbraw/zinc/35/66/26/346356626.db2.gz XNMMQLOOOPBDHL-LURJTMIESA-N 0 3 182.292 2.115 20 0 AEADHN CC1(CN2CCC[C@@H]2C(N)=O)CCC1 334620376 346357117 /nfs/dbraw/zinc/35/71/17/346357117.db2.gz QVFYOSOEWGYSMJ-SECBINFHSA-N 0 3 196.294 2.176 20 0 AEADHN CC[C@@H]1[C@@H](C)CCN1Cc1ccno1 334639446 346357859 /nfs/dbraw/zinc/35/78/59/346357859.db2.gz LXQJYYAKHROAMW-GXSJLCMTSA-N 0 3 194.278 2.295 20 0 AEADHN CC[C@@H]1[C@H](C)CCN1Cc1ccno1 334639448 346358087 /nfs/dbraw/zinc/35/80/87/346358087.db2.gz LXQJYYAKHROAMW-MWLCHTKSSA-N 0 3 194.278 2.295 20 0 AEADHN CC[C@H]1[C@@H](C)CCN1Cc1ccno1 334639449 346358200 /nfs/dbraw/zinc/35/82/00/346358200.db2.gz LXQJYYAKHROAMW-ONGXEEELSA-N 0 3 194.278 2.295 20 0 AEADHN C[C@H]1CN(Cc2cc[nH]n2)C(C)(C)C1 334629591 346358337 /nfs/dbraw/zinc/35/83/37/346358337.db2.gz AQWCSZRXDGUJFH-SECBINFHSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@H]1[C@H](C)CCN1Cc1ccno1 334639447 346358369 /nfs/dbraw/zinc/35/83/69/346358369.db2.gz LXQJYYAKHROAMW-KOLCDFICSA-N 0 3 194.278 2.295 20 0 AEADHN C[C@H]1CCCCN(Cc2c[nH]cn2)C1 334639712 346358383 /nfs/dbraw/zinc/35/83/83/346358383.db2.gz ZDFIHBBEFOBWOR-JTQLQIEISA-N 0 3 193.294 2.032 20 0 AEADHN CC1=CCN(Cc2ccncc2)CC1 334711025 346361341 /nfs/dbraw/zinc/36/13/41/346361341.db2.gz YZUOVVGLRKNAPE-UHFFFAOYSA-N 0 3 188.274 2.234 20 0 AEADHN C[C@H](CF)NC1CC2(CCC2)C1 334727730 346362188 /nfs/dbraw/zinc/36/21/88/346362188.db2.gz WOGHBECDKUVHHP-MRVPVSSYSA-N 0 3 171.259 2.267 20 0 AEADHN Cc1nc(C)c(CN(C)C2CC2)s1 334736948 346362510 /nfs/dbraw/zinc/36/25/10/346362510.db2.gz YOIAOAAGJLKNBQ-UHFFFAOYSA-N 0 3 196.319 2.354 20 0 AEADHN Cc1nc(C)c(CN2CCCC2)s1 334736731 346362702 /nfs/dbraw/zinc/36/27/02/346362702.db2.gz NGKFUZUQWUZYOG-UHFFFAOYSA-N 0 3 196.319 2.356 20 0 AEADHN CC[C@@H]1CCCN(Cc2ccno2)C1 334756001 346363435 /nfs/dbraw/zinc/36/34/35/346363435.db2.gz BELHOGUHLFSVOG-SNVBAGLBSA-N 0 3 194.278 2.297 20 0 AEADHN C[C@H]1CN(Cc2ccno2)C(C)(C)C1 334766362 346363451 /nfs/dbraw/zinc/36/34/51/346363451.db2.gz CRVSBWLSVPRQED-SECBINFHSA-N 0 3 194.278 2.295 20 0 AEADHN Cc1cnccc1CN1CCCCC1 334774505 346363975 /nfs/dbraw/zinc/36/39/75/346363975.db2.gz UZALTESDUREIRB-UHFFFAOYSA-N 0 3 190.290 2.376 20 0 AEADHN CCC1(C)CN(CC2=CCCOC2)C1 334788592 346364798 /nfs/dbraw/zinc/36/47/98/346364798.db2.gz NTMVHBKDBDZXMN-UHFFFAOYSA-N 0 3 195.306 2.065 20 0 AEADHN CCC1(C)CN(Cc2cccn2C)C1 334791960 346364830 /nfs/dbraw/zinc/36/48/30/346364830.db2.gz ZQZGLSCLXPJUHZ-UHFFFAOYSA-N 0 3 192.306 2.257 20 0 AEADHN C[C@H](NC1CCCC1)c1ccn(C)n1 334792406 346364846 /nfs/dbraw/zinc/36/48/46/346364846.db2.gz NQPUFUDOJIUTJV-VIFPVBQESA-N 0 3 193.294 2.013 20 0 AEADHN C[C@H]1CCC[C@@H](C)N1Cc1ccno1 334821078 346365355 /nfs/dbraw/zinc/36/53/55/346365355.db2.gz YBKSVFLFNGLZFI-AOOOYVTPSA-N 0 3 194.278 2.438 20 0 AEADHN CC[C@H](C)N1CCO[C@H](C2CCC2)C1 334815060 346365393 /nfs/dbraw/zinc/36/53/93/346365393.db2.gz LXWMFWDRAZANPN-JQWIXIFHSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@H](C)N1CCO[C@@H](C2CCC2)C1 334815059 346365577 /nfs/dbraw/zinc/36/55/77/346365577.db2.gz LXWMFWDRAZANPN-CMPLNLGQSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@]1(C)CCN(Cc2c[nH]cn2)C1 334815797 346365909 /nfs/dbraw/zinc/36/59/09/346365909.db2.gz LEFBVLIRNSOARB-LLVKDONJSA-N 0 3 193.294 2.032 20 0 AEADHN CC[C@]1(C)CCN(Cc2cnc[nH]2)C1 334815797 346365911 /nfs/dbraw/zinc/36/59/11/346365911.db2.gz LEFBVLIRNSOARB-LLVKDONJSA-N 0 3 193.294 2.032 20 0 AEADHN CC[C@@]1(C)CCN(Cc2c[nH]cn2)C1 334815798 346365932 /nfs/dbraw/zinc/36/59/32/346365932.db2.gz LEFBVLIRNSOARB-NSHDSACASA-N 0 3 193.294 2.032 20 0 AEADHN CC[C@@]1(C)CCN(Cc2cnc[nH]2)C1 334815798 346365934 /nfs/dbraw/zinc/36/59/34/346365934.db2.gz LEFBVLIRNSOARB-NSHDSACASA-N 0 3 193.294 2.032 20 0 AEADHN C[C@H]1CCC[C@H](C)N1Cc1ccno1 334821080 346365979 /nfs/dbraw/zinc/36/59/79/346365979.db2.gz YBKSVFLFNGLZFI-UWVGGRQHSA-N 0 3 194.278 2.438 20 0 AEADHN CCC1CN(Cc2ccoc2C)C1 334843151 346367403 /nfs/dbraw/zinc/36/74/03/346367403.db2.gz NIVBZAZXHKHSJL-UHFFFAOYSA-N 0 3 179.263 2.430 20 0 AEADHN C[C@H]1CCC(C)(C)N1Cc1ccno1 334869100 346368382 /nfs/dbraw/zinc/36/83/82/346368382.db2.gz XRMFYVYNMJZYTF-VIFPVBQESA-N 0 3 194.278 2.438 20 0 AEADHN CC[C@H](C)N1CCOC2(CCCC2)C1 334886211 346368782 /nfs/dbraw/zinc/36/87/82/346368782.db2.gz UGSKKFAQTWJGRQ-NSHDSACASA-N 0 3 197.322 2.430 20 0 AEADHN CN(Cc1cncc(F)c1)C1CCC1 334880144 346369128 /nfs/dbraw/zinc/36/91/28/346369128.db2.gz WMFHLRWYCQOWGM-UHFFFAOYSA-N 0 3 194.253 2.205 20 0 AEADHN CN(Cc1ccncc1)[C@H]1CC1(C)C 334919623 346369835 /nfs/dbraw/zinc/36/98/35/346369835.db2.gz LINZOCMHZDLXTE-NSHDSACASA-N 0 3 190.290 2.312 20 0 AEADHN CN(Cc1ccncc1)[C@@H]1CC1(C)C 334919622 346370090 /nfs/dbraw/zinc/37/00/90/346370090.db2.gz LINZOCMHZDLXTE-LLVKDONJSA-N 0 3 190.290 2.312 20 0 AEADHN Cc1cncc(CN(C)C2CCC2)c1 334994880 346373562 /nfs/dbraw/zinc/37/35/62/346373562.db2.gz WAYJWHODRORBQH-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN CN(Cc1cccnc1)C1CCCC1 335038342 346376337 /nfs/dbraw/zinc/37/63/37/346376337.db2.gz IUOXQPNSAXKKRV-UHFFFAOYSA-N 0 3 190.290 2.456 20 0 AEADHN Cc1ccc(CN(C)C2CCC2)cn1 335158974 346381120 /nfs/dbraw/zinc/38/11/20/346381120.db2.gz RBQZXORZOBQSEF-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN Cc1cc(CNC2(C)CCCC2)no1 335161535 346381307 /nfs/dbraw/zinc/38/13/07/346381307.db2.gz WXHVCJLUBZTFRW-UHFFFAOYSA-N 0 3 194.278 2.405 20 0 AEADHN Cc1c[nH]nc1CN1CCCC[C@H]1C 335179789 346382323 /nfs/dbraw/zinc/38/23/23/346382323.db2.gz UFGDZSNHPHUKAX-SNVBAGLBSA-N 0 3 193.294 2.093 20 0 AEADHN CN(Cc1cnc[nH]1)C1CC(C)(C)C1 335167822 346382365 /nfs/dbraw/zinc/38/23/65/346382365.db2.gz MDUVRCGCJORQCR-UHFFFAOYSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@H]1CCN(Cc2cc(C)no2)C1 335294543 346386476 /nfs/dbraw/zinc/38/64/76/346386476.db2.gz BYSDEXILAUZGEG-JTQLQIEISA-N 0 3 194.278 2.215 20 0 AEADHN Cc1noc(C)c1CN1CC[C@H](C)C1 335294707 346386762 /nfs/dbraw/zinc/38/67/62/346386762.db2.gz GTDPGUAHMMMXOH-QMMMGPOBSA-N 0 3 194.278 2.133 20 0 AEADHN CCc1nc(C)c(CN2CCCC2)o1 335297614 346387458 /nfs/dbraw/zinc/38/74/58/346387458.db2.gz KMIZIDVDSVZICA-UHFFFAOYSA-N 0 3 194.278 2.141 20 0 AEADHN CCCN1CCc2ccc(O)cc2C1 335307392 346388368 /nfs/dbraw/zinc/38/83/68/346388368.db2.gz QZFUAOFFQBYNSC-UHFFFAOYSA-N 0 3 191.274 2.160 20 0 AEADHN Cc1n[nH]cc1CN1CCCCCC1 335313889 346389329 /nfs/dbraw/zinc/38/93/29/346389329.db2.gz WUSBBSMTBHDXCS-UHFFFAOYSA-N 0 3 193.294 2.094 20 0 AEADHN CC1=CC[C@@H](NC2(C(N)=O)CC2)CC1 335327441 346389846 /nfs/dbraw/zinc/38/98/46/346389846.db2.gz JEXNDHHKVWSVBS-SECBINFHSA-N 0 3 194.278 2.143 20 0 AEADHN CC1=CC[C@H](NC2(C(N)=O)CC2)CC1 335327442 346390225 /nfs/dbraw/zinc/39/02/25/346390225.db2.gz JEXNDHHKVWSVBS-VIFPVBQESA-N 0 3 194.278 2.143 20 0 AEADHN CC1(C)CN(CC(N)=O)CC(C)(C)C1 335344497 346390979 /nfs/dbraw/zinc/39/09/79/346390979.db2.gz JJJARECTUVYREH-UHFFFAOYSA-N 0 3 198.310 2.280 20 0 AEADHN CC1(F)CC(NCc2ccco2)C1 335376851 346392813 /nfs/dbraw/zinc/39/28/13/346392813.db2.gz YQUIJAUFTANDRM-UHFFFAOYSA-N 0 3 183.226 2.260 20 0 AEADHN CC1(F)CC(NCc2cccnc2)C1 335376705 346392895 /nfs/dbraw/zinc/39/28/95/346392895.db2.gz SBRPUFJLHSIUJY-UHFFFAOYSA-N 0 3 194.253 2.062 20 0 AEADHN CC1(F)CC(NCc2ccncc2)C1 335375990 346392949 /nfs/dbraw/zinc/39/29/49/346392949.db2.gz OYAFQVYUWRNSLU-UHFFFAOYSA-N 0 3 194.253 2.062 20 0 AEADHN CCc1cc(N2CC[C@@H](F)C2)ccn1 335400188 346394336 /nfs/dbraw/zinc/39/43/36/346394336.db2.gz QMWYGTHRWRDSLZ-SECBINFHSA-N 0 3 194.253 2.192 20 0 AEADHN CC1=CC[C@@H](NCc2ccno2)CC1 335406082 346394376 /nfs/dbraw/zinc/39/43/76/346394376.db2.gz JHSCWOGCMPYAPU-SNVBAGLBSA-N 0 3 192.262 2.263 20 0 AEADHN CCc1cc(N2CC[C@H](F)C2)ccn1 335400189 346394495 /nfs/dbraw/zinc/39/44/95/346394495.db2.gz QMWYGTHRWRDSLZ-VIFPVBQESA-N 0 3 194.253 2.192 20 0 AEADHN CC[C@H](C)CN1CC[C@H](F)C1 335407823 346394892 /nfs/dbraw/zinc/39/48/92/346394892.db2.gz VZDGXHNGSBXJFJ-IUCAKERBSA-N 0 3 159.248 2.076 20 0 AEADHN C[C@H]1CCC[C@@H](C)N1Cc1c[nH]cn1 335413790 346395194 /nfs/dbraw/zinc/39/51/94/346395194.db2.gz DCFWRUKWNPCCKN-AOOOYVTPSA-N 0 3 193.294 2.173 20 0 AEADHN C[C@H]1CCC[C@@H](C)N1Cc1cnc[nH]1 335413790 346395198 /nfs/dbraw/zinc/39/51/98/346395198.db2.gz DCFWRUKWNPCCKN-AOOOYVTPSA-N 0 3 193.294 2.173 20 0 AEADHN CC[C@H](C)CN1CC[C@@H](F)C1 335407822 346395353 /nfs/dbraw/zinc/39/53/53/346395353.db2.gz VZDGXHNGSBXJFJ-DTWKUNHWSA-N 0 3 159.248 2.076 20 0 AEADHN C[C@H]1C[C@@H](NCc2cccs2)CO1 335426367 346395803 /nfs/dbraw/zinc/39/58/03/346395803.db2.gz UVFQQTGSRCFUSK-DTWKUNHWSA-N 0 3 197.303 2.015 20 0 AEADHN C[C@H]1C[C@@H](NCc2ccsc2)CO1 335426402 346396016 /nfs/dbraw/zinc/39/60/16/346396016.db2.gz VDTZBHNKBBSRJY-WCBMZHEXSA-N 0 3 197.303 2.015 20 0 AEADHN C[C@H]1C[C@H](NCc2ccsc2)CO1 335426403 346396140 /nfs/dbraw/zinc/39/61/40/346396140.db2.gz VDTZBHNKBBSRJY-WPRPVWTQSA-N 0 3 197.303 2.015 20 0 AEADHN Cc1ccc(CN2CCC[C@@H]2C)cn1 335441053 346397366 /nfs/dbraw/zinc/39/73/66/346397366.db2.gz URLIAOGSPOMXMH-NSHDSACASA-N 0 3 190.290 2.374 20 0 AEADHN Cc1ccc(CN2CCC[C@H]2C)cn1 335441052 346397398 /nfs/dbraw/zinc/39/73/98/346397398.db2.gz URLIAOGSPOMXMH-LLVKDONJSA-N 0 3 190.290 2.374 20 0 AEADHN Cc1ncc(CN(C)C(C)(C)C)cn1 335454435 346398536 /nfs/dbraw/zinc/39/85/36/346398536.db2.gz KROFHPWRQPXTOH-UHFFFAOYSA-N 0 3 193.294 2.015 20 0 AEADHN Cc1ccc(CN(C)C(C)(C)C)nn1 335449808 346398643 /nfs/dbraw/zinc/39/86/43/346398643.db2.gz QDKVSJOBGIKVBJ-UHFFFAOYSA-N 0 3 193.294 2.015 20 0 AEADHN CN(Cc1cncs1)C(C)(C)C 335450442 346398667 /nfs/dbraw/zinc/39/86/67/346398667.db2.gz YLYUHUNIHBCKSH-UHFFFAOYSA-N 0 3 184.308 2.373 20 0 AEADHN CC1CC(NC2(CF)CCC2)C1 335449762 346398703 /nfs/dbraw/zinc/39/87/03/346398703.db2.gz OSIOCNVXMAMYFP-UHFFFAOYSA-N 0 3 171.259 2.267 20 0 AEADHN CN(Cc1ccc(F)cn1)C(C)(C)C 335457148 346399187 /nfs/dbraw/zinc/39/91/87/346399187.db2.gz YEOBOZNLMZOPBO-UHFFFAOYSA-N 0 3 196.269 2.451 20 0 AEADHN CN(Cc1cncc(F)c1)C(C)(C)C 335457107 346399213 /nfs/dbraw/zinc/39/92/13/346399213.db2.gz XHYWLCMREFNTMM-UHFFFAOYSA-N 0 3 196.269 2.451 20 0 AEADHN CN(C[C@@H]1CCC(C)(C)O1)C1CC1 335506403 346401645 /nfs/dbraw/zinc/40/16/45/346401645.db2.gz AHKZNEGNNAYFBW-JTQLQIEISA-N 0 3 183.295 2.038 20 0 AEADHN CN(C[C@H]1CCC(C)(C)O1)C1CC1 335506404 346401684 /nfs/dbraw/zinc/40/16/84/346401684.db2.gz AHKZNEGNNAYFBW-SNVBAGLBSA-N 0 3 183.295 2.038 20 0 AEADHN CC[C@H]1CCCN1Cc1cc(C)no1 335520662 346402368 /nfs/dbraw/zinc/40/23/68/346402368.db2.gz CCKMEYCFWDEKFG-JTQLQIEISA-N 0 3 194.278 2.357 20 0 AEADHN CC[C@@H]1CCCN1Cc1cc(C)no1 335520663 346402564 /nfs/dbraw/zinc/40/25/64/346402564.db2.gz CCKMEYCFWDEKFG-SNVBAGLBSA-N 0 3 194.278 2.357 20 0 AEADHN CC[C@H]1CN(C(C)C)C[C@@H](CC)O1 335553989 346404468 /nfs/dbraw/zinc/40/44/68/346404468.db2.gz DZUAQDNRNOZXSI-PHIMTYICSA-N 0 3 185.311 2.284 20 0 AEADHN Cc1ccoc1CN(C)C(C)C 335570763 346405593 /nfs/dbraw/zinc/40/55/93/346405593.db2.gz FJSGBVKTIXLGGB-UHFFFAOYSA-N 0 3 167.252 2.428 20 0 AEADHN CCCN1CCOCC12CCCC2 335579724 346406933 /nfs/dbraw/zinc/40/69/33/346406933.db2.gz ZPXZXNVHBPUWDN-UHFFFAOYSA-N 0 3 183.295 2.041 20 0 AEADHN CC[C@@H]1COCCN1[C@H]1C=CCCC1 335654267 346411375 /nfs/dbraw/zinc/41/13/75/346411375.db2.gz PHDBXLVQCFYATP-NEPJUHHUSA-N 0 3 195.306 2.206 20 0 AEADHN CC[C@H]1COCCN1[C@H]1C=CCCC1 335654269 346411405 /nfs/dbraw/zinc/41/14/05/346411405.db2.gz PHDBXLVQCFYATP-RYUDHWBXSA-N 0 3 195.306 2.206 20 0 AEADHN CC[C@H]1COCCN1[C@@H]1C=CCCC1 335654268 346411467 /nfs/dbraw/zinc/41/14/67/346411467.db2.gz PHDBXLVQCFYATP-NWDGAFQWSA-N 0 3 195.306 2.206 20 0 AEADHN CC[C@@H]1[C@H](C)CCN1Cc1cc[nH]n1 335680495 346413512 /nfs/dbraw/zinc/41/35/12/346413512.db2.gz TVNFYICWKRTRHM-MWLCHTKSSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@@H]1[C@@H](C)CCN1Cc1c[nH]cn1 335680470 346413667 /nfs/dbraw/zinc/41/36/67/346413667.db2.gz QIQYIJPXISVWAB-GXSJLCMTSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@H]1[C@@H](C)CCN1Cc1cc[nH]n1 335680496 346413826 /nfs/dbraw/zinc/41/38/26/346413826.db2.gz TVNFYICWKRTRHM-ONGXEEELSA-N 0 3 193.294 2.030 20 0 AEADHN Cc1cccc(CN2CCC[C@@H]2C)n1 335685360 346413727 /nfs/dbraw/zinc/41/37/27/346413727.db2.gz MQXCLEQHKBFLMV-NSHDSACASA-N 0 3 190.290 2.374 20 0 AEADHN CC[C@H]1[C@H](C)CCN1Cc1c[nH]cn1 335680471 346413876 /nfs/dbraw/zinc/41/38/76/346413876.db2.gz QIQYIJPXISVWAB-KOLCDFICSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@@H]1[C@H](C)CCN1Cc1c[nH]cn1 335680472 346413921 /nfs/dbraw/zinc/41/39/21/346413921.db2.gz QIQYIJPXISVWAB-MWLCHTKSSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@@H]1[C@@H](C)CCN1Cc1cc[nH]n1 335680493 346413936 /nfs/dbraw/zinc/41/39/36/346413936.db2.gz TVNFYICWKRTRHM-GXSJLCMTSA-N 0 3 193.294 2.030 20 0 AEADHN Cc1cccc(CN2CCC[C@H]2C)n1 335685359 346413966 /nfs/dbraw/zinc/41/39/66/346413966.db2.gz MQXCLEQHKBFLMV-LLVKDONJSA-N 0 3 190.290 2.374 20 0 AEADHN CC[C@H]1[C@H](C)CCN1Cc1cc[nH]n1 335680494 346414028 /nfs/dbraw/zinc/41/40/28/346414028.db2.gz TVNFYICWKRTRHM-KOLCDFICSA-N 0 3 193.294 2.030 20 0 AEADHN CN(CC1=CCCOC1)[C@@H]1CC1(C)C 335695824 346414720 /nfs/dbraw/zinc/41/47/20/346414720.db2.gz PYRNJMOBLXJFQB-LLVKDONJSA-N 0 3 195.306 2.063 20 0 AEADHN CC[C@H]1CN(C2CCCC2)CCO1 335715631 346415382 /nfs/dbraw/zinc/41/53/82/346415382.db2.gz IVPSKECIBZCBEC-NSHDSACASA-N 0 3 183.295 2.040 20 0 AEADHN CC1=CCCN(Cc2cccn2C)C1 335700678 346414909 /nfs/dbraw/zinc/41/49/09/346414909.db2.gz ZQCPDGBXGFIDBL-UHFFFAOYSA-N 0 3 190.290 2.177 20 0 AEADHN CN(CC1=CCCOC1)[C@H]1CC1(C)C 335695825 346414931 /nfs/dbraw/zinc/41/49/31/346414931.db2.gz PYRNJMOBLXJFQB-NSHDSACASA-N 0 3 195.306 2.063 20 0 AEADHN CCCN1CCOC2(CCCC2)C1 335715659 346415531 /nfs/dbraw/zinc/41/55/31/346415531.db2.gz MCKMDEFXMRUIFH-UHFFFAOYSA-N 0 3 183.295 2.041 20 0 AEADHN CC[C@@H]1CN(C2CCCC2)CCO1 335715630 346415601 /nfs/dbraw/zinc/41/56/01/346415601.db2.gz IVPSKECIBZCBEC-LLVKDONJSA-N 0 3 183.295 2.040 20 0 AEADHN CCCN1CCO[C@H]2CCCC[C@@H]21 335715582 346415664 /nfs/dbraw/zinc/41/56/64/346415664.db2.gz AIJWRDJKYZUZIB-QWRGUYRKSA-N 0 3 183.295 2.040 20 0 AEADHN CCCN1CCO[C@H]2CCCC[C@H]21 335715581 346415690 /nfs/dbraw/zinc/41/56/90/346415690.db2.gz AIJWRDJKYZUZIB-MNOVXSKESA-N 0 3 183.295 2.040 20 0 AEADHN CCCN1CCn2cccc2[C@H]1C 335715655 346415701 /nfs/dbraw/zinc/41/57/01/346415701.db2.gz KXLWODJTJYURRM-SNVBAGLBSA-N 0 3 178.279 2.275 20 0 AEADHN CC(C)N1CCOC2(CCCC2)C1 335715739 346415743 /nfs/dbraw/zinc/41/57/43/346415743.db2.gz PRQCOLZJWZLZRH-UHFFFAOYSA-N 0 3 183.295 2.040 20 0 AEADHN CCCN1CCn2cccc2[C@@H]1C 335715654 346415754 /nfs/dbraw/zinc/41/57/54/346415754.db2.gz KXLWODJTJYURRM-JTQLQIEISA-N 0 3 178.279 2.275 20 0 AEADHN CC1(CN2CCOCC23CC3)CCC1 335741797 346416960 /nfs/dbraw/zinc/41/69/60/346416960.db2.gz BHYVXVGHLPXHDE-UHFFFAOYSA-N 0 3 195.306 2.041 20 0 AEADHN CC[C@H]1CCN(Cc2cnoc2C)C1 335731138 346417086 /nfs/dbraw/zinc/41/70/86/346417086.db2.gz LCRLZXHMOHOSMW-JTQLQIEISA-N 0 3 194.278 2.215 20 0 AEADHN Cc1ccncc1CN1CCCCC1 335755009 346418317 /nfs/dbraw/zinc/41/83/17/346418317.db2.gz RBPKFJKEVULNQM-UHFFFAOYSA-N 0 3 190.290 2.376 20 0 AEADHN C[C@H]1CC[C@@H](N(C)Cc2c[nH]cn2)C1 335765979 346418898 /nfs/dbraw/zinc/41/88/98/346418898.db2.gz YKHQRHIVNOCGRS-GXSJLCMTSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@H]1CC[C@@H](N(C)Cc2cnc[nH]2)C1 335765979 346418900 /nfs/dbraw/zinc/41/89/00/346418900.db2.gz YKHQRHIVNOCGRS-GXSJLCMTSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@H]1CC[C@H](N(C)Cc2c[nH]cn2)C1 335765982 346418929 /nfs/dbraw/zinc/41/89/29/346418929.db2.gz YKHQRHIVNOCGRS-ONGXEEELSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@H]1CC[C@H](N(C)Cc2cnc[nH]2)C1 335765982 346418932 /nfs/dbraw/zinc/41/89/32/346418932.db2.gz YKHQRHIVNOCGRS-ONGXEEELSA-N 0 3 193.294 2.030 20 0 AEADHN CC1(C)CCN(Cc2cccnc2)C1 335777095 346419541 /nfs/dbraw/zinc/41/95/41/346419541.db2.gz XZRMEOAFHCUFJR-UHFFFAOYSA-N 0 3 190.290 2.314 20 0 AEADHN C[C@H]1CCCCN(Cc2ccno2)C1 335784097 346419551 /nfs/dbraw/zinc/41/95/51/346419551.db2.gz UYMMLRKWDQDSLZ-JTQLQIEISA-N 0 3 194.278 2.297 20 0 AEADHN CC1=CCCN(Cc2ccccn2)C1 335790121 346420005 /nfs/dbraw/zinc/42/00/05/346420005.db2.gz QNPLZZSBXCCLEF-UHFFFAOYSA-N 0 3 188.274 2.234 20 0 AEADHN CC1(C)[C@H]2CN(Cc3ccco3)C[C@H]21 335797134 346420178 /nfs/dbraw/zinc/42/01/78/346420178.db2.gz JLLYYWJRBSFQRQ-PHIMTYICSA-N 0 3 191.274 2.367 20 0 AEADHN Cc1cnc(CN(C)C(C)(C)C)cn1 335801629 346420875 /nfs/dbraw/zinc/42/08/75/346420875.db2.gz ABTCBKYKWMRQDI-UHFFFAOYSA-N 0 3 193.294 2.015 20 0 AEADHN C[C@H]1CCCN(Cc2ccno2)[C@@H]1C 335820204 346421716 /nfs/dbraw/zinc/42/17/16/346421716.db2.gz ZYWWIFSJSOKTNI-VHSXEESVSA-N 0 3 194.278 2.295 20 0 AEADHN C[C@H]1CCCN(Cc2ccno2)[C@H]1C 335820203 346421789 /nfs/dbraw/zinc/42/17/89/346421789.db2.gz ZYWWIFSJSOKTNI-UWVGGRQHSA-N 0 3 194.278 2.295 20 0 AEADHN C[C@H]1CN(C[C@H]2CC=CCC2)CCO1 335814745 346421853 /nfs/dbraw/zinc/42/18/53/346421853.db2.gz BXPHUNOFQHPYTA-RYUDHWBXSA-N 0 3 195.306 2.063 20 0 AEADHN C[C@H]1[C@H](C)CCCN1Cc1ccno1 335820205 346421896 /nfs/dbraw/zinc/42/18/96/346421896.db2.gz ZYWWIFSJSOKTNI-ZJUUUORDSA-N 0 3 194.278 2.295 20 0 AEADHN C[C@H]1CN(C[C@@H]2CC=CCC2)CCO1 335814743 346421939 /nfs/dbraw/zinc/42/19/39/346421939.db2.gz BXPHUNOFQHPYTA-NWDGAFQWSA-N 0 3 195.306 2.063 20 0 AEADHN CC[C@]1(C)CCCN([C@H](C)C(N)=O)C1 335829418 346422464 /nfs/dbraw/zinc/42/24/64/346422464.db2.gz XALFYIAJXKOIPO-MWLCHTKSSA-N 0 3 198.310 2.422 20 0 AEADHN CC[C@@]1(C)CCCN([C@@H](C)C(N)=O)C1 335829419 346422548 /nfs/dbraw/zinc/42/25/48/346422548.db2.gz XALFYIAJXKOIPO-ONGXEEELSA-N 0 3 198.310 2.422 20 0 AEADHN CC[C@@]1(C)CCCN([C@H](C)C(N)=O)C1 335829417 346422621 /nfs/dbraw/zinc/42/26/21/346422621.db2.gz XALFYIAJXKOIPO-KOLCDFICSA-N 0 3 198.310 2.422 20 0 AEADHN CC[C@]1(C)CCCN([C@@H](C)C(N)=O)C1 335829416 346422648 /nfs/dbraw/zinc/42/26/48/346422648.db2.gz XALFYIAJXKOIPO-GXSJLCMTSA-N 0 3 198.310 2.422 20 0 AEADHN CN(Cc1ccccn1)[C@H]1CC1(C)C 335848913 346423833 /nfs/dbraw/zinc/42/38/33/346423833.db2.gz QSNUAQYQHVGMET-NSHDSACASA-N 0 3 190.290 2.312 20 0 AEADHN C[C@H]1CC[C@H](N(C)Cc2ccno2)C1 335858089 346423843 /nfs/dbraw/zinc/42/38/43/346423843.db2.gz SVCPZOACZNJTPU-UWVGGRQHSA-N 0 3 194.278 2.295 20 0 AEADHN C[C@H]1CC[C@@H](N(C)Cc2ccno2)C1 335858090 346423874 /nfs/dbraw/zinc/42/38/74/346423874.db2.gz SVCPZOACZNJTPU-VHSXEESVSA-N 0 3 194.278 2.295 20 0 AEADHN CN(Cc1ccccn1)[C@@H]1CC1(C)C 335848912 346424006 /nfs/dbraw/zinc/42/40/06/346424006.db2.gz QSNUAQYQHVGMET-LLVKDONJSA-N 0 3 190.290 2.312 20 0 AEADHN CC1=CCCN(Cc2cccnc2)C1 335873559 346425150 /nfs/dbraw/zinc/42/51/50/346425150.db2.gz JMRYFZHSVSGMNX-UHFFFAOYSA-N 0 3 188.274 2.234 20 0 AEADHN CN(Cc1ccc(F)cn1)C1CCC1 335882826 346425779 /nfs/dbraw/zinc/42/57/79/346425779.db2.gz YLNSNXSAKHEZIE-UHFFFAOYSA-N 0 3 194.253 2.205 20 0 AEADHN CC1(CN2C[C@@H]3CC[C@H](C2)O3)CCC1 335899057 346426915 /nfs/dbraw/zinc/42/69/15/346426915.db2.gz ITWZGYXWNYMXEU-PHIMTYICSA-N 0 3 195.306 2.040 20 0 AEADHN CN(Cc1cc[nH]n1)C1CCCCC1 335914204 346427642 /nfs/dbraw/zinc/42/76/42/346427642.db2.gz DBZDXWRBVVIQGK-UHFFFAOYSA-N 0 3 193.294 2.174 20 0 AEADHN CC1(CN2CCC[C@H]2C(N)=O)CCC1 335935571 346428767 /nfs/dbraw/zinc/42/87/67/346428767.db2.gz QVFYOSOEWGYSMJ-VIFPVBQESA-N 0 3 196.294 2.176 20 0 AEADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccon1 335949646 346429317 /nfs/dbraw/zinc/42/93/17/346429317.db2.gz NOEOCRMQGRHSPB-MWLCHTKSSA-N 0 3 194.278 2.438 20 0 AEADHN Cc1ccc(CN2CCC[C@@H]2C)nc1 335945004 346429332 /nfs/dbraw/zinc/42/93/32/346429332.db2.gz PNYQEJUWDGVKCX-NSHDSACASA-N 0 3 190.290 2.374 20 0 AEADHN Cc1ccc(CN2CCC[C@H]2C)nc1 335945002 346429352 /nfs/dbraw/zinc/42/93/52/346429352.db2.gz PNYQEJUWDGVKCX-LLVKDONJSA-N 0 3 190.290 2.374 20 0 AEADHN CC[C@H]1CC[C@@H](C)N1Cc1ccon1 335949645 346429447 /nfs/dbraw/zinc/42/94/47/346429447.db2.gz NOEOCRMQGRHSPB-KOLCDFICSA-N 0 3 194.278 2.438 20 0 AEADHN Cc1ncccc1CN(C)C1CCC1 335944747 346429627 /nfs/dbraw/zinc/42/96/27/346429627.db2.gz HAPNTZQZIBHOCZ-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN C[C@H]1CC[C@H](C)N(Cc2cc[nH]n2)C1 335944609 346429844 /nfs/dbraw/zinc/42/98/44/346429844.db2.gz YHQFTMLQUJJOND-UWVGGRQHSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@@H]1CC[C@H](C)N1Cc1ccon1 335949644 346429856 /nfs/dbraw/zinc/42/98/56/346429856.db2.gz NOEOCRMQGRHSPB-GXSJLCMTSA-N 0 3 194.278 2.438 20 0 AEADHN CC[C@H]1CC[C@H](C)N1Cc1ccon1 335949647 346429872 /nfs/dbraw/zinc/42/98/72/346429872.db2.gz NOEOCRMQGRHSPB-ONGXEEELSA-N 0 3 194.278 2.438 20 0 AEADHN C[C@H]1CN(Cc2c[nH]cn2)C(C)(C)C1 335944486 346429905 /nfs/dbraw/zinc/42/99/05/346429905.db2.gz IFWWYKKJQMYPMF-SECBINFHSA-N 0 3 193.294 2.030 20 0 AEADHN Cc1cccc(CN(C)C2CCC2)n1 335966531 346431266 /nfs/dbraw/zinc/43/12/66/346431266.db2.gz YDLLZGRMZRRLQD-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN Cc1ccc(CN2CC[C@@H](C)C2)nc1 335976544 346432035 /nfs/dbraw/zinc/43/20/35/346432035.db2.gz WITZAHUSOCMXBD-LLVKDONJSA-N 0 3 190.290 2.232 20 0 AEADHN Cc1ccc(CN2CC[C@H](C)C2)nc1 335976545 346432073 /nfs/dbraw/zinc/43/20/73/346432073.db2.gz WITZAHUSOCMXBD-NSHDSACASA-N 0 3 190.290 2.232 20 0 AEADHN CC[C@@H]1CC[C@@H](C)N1Cc1c[nH]cn1 335996719 346432587 /nfs/dbraw/zinc/43/25/87/346432587.db2.gz RGGVHCAAFSTZFG-MWLCHTKSSA-N 0 3 193.294 2.173 20 0 AEADHN CC[C@H]1CC[C@H](C)N1Cc1c[nH]cn1 335996720 346432754 /nfs/dbraw/zinc/43/27/54/346432754.db2.gz RGGVHCAAFSTZFG-ONGXEEELSA-N 0 3 193.294 2.173 20 0 AEADHN CCC1(O)CCN(CC=C(C)C)CC1 335993359 346432780 /nfs/dbraw/zinc/43/27/80/346432780.db2.gz HYOWVATUJXKAJA-UHFFFAOYSA-N 0 3 197.322 2.190 20 0 AEADHN CC[C@H]1CC[C@@H](C)N1Cc1c[nH]cn1 335996718 346432805 /nfs/dbraw/zinc/43/28/05/346432805.db2.gz RGGVHCAAFSTZFG-KOLCDFICSA-N 0 3 193.294 2.173 20 0 AEADHN CC[C@@H]1CC[C@H](C)N1Cc1c[nH]cn1 335996717 346432904 /nfs/dbraw/zinc/43/29/04/346432904.db2.gz RGGVHCAAFSTZFG-GXSJLCMTSA-N 0 3 193.294 2.173 20 0 AEADHN CC[C@@H]1[C@H](C)CCN1Cc1ccon1 336009570 346433247 /nfs/dbraw/zinc/43/32/47/346433247.db2.gz PCPVQTCKAZOQPN-MWLCHTKSSA-N 0 3 194.278 2.295 20 0 AEADHN CC[C@H]1[C@H](C)CCN1Cc1ccon1 336009569 346433576 /nfs/dbraw/zinc/43/35/76/346433576.db2.gz PCPVQTCKAZOQPN-KOLCDFICSA-N 0 3 194.278 2.295 20 0 AEADHN CC[C@@H]1[C@@H](C)CCN1Cc1ccon1 336009568 346433587 /nfs/dbraw/zinc/43/35/87/346433587.db2.gz PCPVQTCKAZOQPN-GXSJLCMTSA-N 0 3 194.278 2.295 20 0 AEADHN Cc1ccc(CN2CC[C@@H](C)C2)cn1 336028945 346434145 /nfs/dbraw/zinc/43/41/45/346434145.db2.gz CJZKQVQUTLCUOW-SNVBAGLBSA-N 0 3 190.290 2.232 20 0 AEADHN Cc1ccc(CN2CC[C@H](C)C2)cn1 336028944 346434288 /nfs/dbraw/zinc/43/42/88/346434288.db2.gz CJZKQVQUTLCUOW-JTQLQIEISA-N 0 3 190.290 2.232 20 0 AEADHN CC[C@@]1(C)CCN(Cc2ccno2)C1 336048755 346435669 /nfs/dbraw/zinc/43/56/69/346435669.db2.gz BPINWBLFDGYWGK-NSHDSACASA-N 0 3 194.278 2.297 20 0 AEADHN CC[C@]1(C)CCN(Cc2ccno2)C1 336048754 346435753 /nfs/dbraw/zinc/43/57/53/346435753.db2.gz BPINWBLFDGYWGK-LLVKDONJSA-N 0 3 194.278 2.297 20 0 AEADHN Cc1ccncc1CN(C)C1CCC1 336061284 346436664 /nfs/dbraw/zinc/43/66/64/346436664.db2.gz NUZZHFAQDQXPFP-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN CC[C@H](C(N)=O)N1CCCC2(CC2)C1 336066329 346437028 /nfs/dbraw/zinc/43/70/28/346437028.db2.gz LUWKHDDAFXNKGQ-SECBINFHSA-N 0 3 196.294 2.176 20 0 AEADHN CN(Cc1ccn(C)c1)[C@@H]1CC1(C)C 336105484 346438558 /nfs/dbraw/zinc/43/85/58/346438558.db2.gz BBRJAKUPEOUOKE-LLVKDONJSA-N 0 3 192.306 2.255 20 0 AEADHN CN(Cc1ccn(C)c1)[C@H]1CC1(C)C 336105485 346438606 /nfs/dbraw/zinc/43/86/06/346438606.db2.gz BBRJAKUPEOUOKE-NSHDSACASA-N 0 3 192.306 2.255 20 0 AEADHN Cc1n[nH]cc1CN(C)C1CCCC1 336148425 346440712 /nfs/dbraw/zinc/44/07/12/346440712.db2.gz MQFYLDPLNIZCNO-UHFFFAOYSA-N 0 3 193.294 2.093 20 0 AEADHN CC1(C)CN([C@H]2C=CCCC2)CCO1 336146302 346440892 /nfs/dbraw/zinc/44/08/92/346440892.db2.gz LEASXOBLHIPMLI-NSHDSACASA-N 0 3 195.306 2.206 20 0 AEADHN CC1(C)CN([C@@H]2C=CCCC2)CCO1 336146301 346441002 /nfs/dbraw/zinc/44/10/02/346441002.db2.gz LEASXOBLHIPMLI-LLVKDONJSA-N 0 3 195.306 2.206 20 0 AEADHN Cc1cncc(CN2CC[C@@H](C)C2)c1 336170959 346442052 /nfs/dbraw/zinc/44/20/52/346442052.db2.gz QKKIJQWOIQOMRV-SNVBAGLBSA-N 0 3 190.290 2.232 20 0 AEADHN CC[C@]1(C)CN(C2CCCC2)CCO1 336170164 346442339 /nfs/dbraw/zinc/44/23/39/346442339.db2.gz RVAXJVOEYNVSIU-GFCCVEGCSA-N 0 3 197.322 2.430 20 0 AEADHN Cc1cncc(CN2CC[C@H](C)C2)c1 336170958 346442353 /nfs/dbraw/zinc/44/23/53/346442353.db2.gz QKKIJQWOIQOMRV-JTQLQIEISA-N 0 3 190.290 2.232 20 0 AEADHN CC[C@@]1(C)CN(C2CCCC2)CCO1 336170165 346442466 /nfs/dbraw/zinc/44/24/66/346442466.db2.gz RVAXJVOEYNVSIU-LBPRGKRZSA-N 0 3 197.322 2.430 20 0 AEADHN C[C@H](C(N)=O)N1CCCCC(C)(C)C1 336179997 346442524 /nfs/dbraw/zinc/44/25/24/346442524.db2.gz LQEDVTATEOPLNP-SECBINFHSA-N 0 3 198.310 2.422 20 0 AEADHN Cc1ccc(CN(C)C2CCC2)nc1 336188045 346443140 /nfs/dbraw/zinc/44/31/40/346443140.db2.gz OUSNSWZAJGGZJH-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN CC(C)[C@H]1CCCN([C@H](C)C(N)=O)C1 336184001 346443155 /nfs/dbraw/zinc/44/31/55/346443155.db2.gz PKMYZOJASNMUMV-ZJUUUORDSA-N 0 3 198.310 2.278 20 0 AEADHN CC(C)[C@@H]1CCCN([C@@H](C)C(N)=O)C1 336184000 346443242 /nfs/dbraw/zinc/44/32/42/346443242.db2.gz PKMYZOJASNMUMV-VHSXEESVSA-N 0 3 198.310 2.278 20 0 AEADHN CC(C)[C@@H]1CCCN([C@H](C)C(N)=O)C1 336183998 346443296 /nfs/dbraw/zinc/44/32/96/346443296.db2.gz PKMYZOJASNMUMV-NXEZZACHSA-N 0 3 198.310 2.278 20 0 AEADHN CN(CC1=CCCCC1)[C@@H]1CCOC1 336186092 346443305 /nfs/dbraw/zinc/44/33/05/346443305.db2.gz QFDSYQKQLQVMJQ-GFCCVEGCSA-N 0 3 195.306 2.208 20 0 AEADHN CC(C)[C@H]1CCCN([C@@H](C)C(N)=O)C1 336183999 346443345 /nfs/dbraw/zinc/44/33/45/346443345.db2.gz PKMYZOJASNMUMV-UWVGGRQHSA-N 0 3 198.310 2.278 20 0 AEADHN CN(CC1=CCCCC1)[C@H]1CCOC1 336186093 346443360 /nfs/dbraw/zinc/44/33/60/346443360.db2.gz QFDSYQKQLQVMJQ-LBPRGKRZSA-N 0 3 195.306 2.208 20 0 AEADHN C[C@H]1CCCN1CCc1cscn1 336194532 346443765 /nfs/dbraw/zinc/44/37/65/346443765.db2.gz MFACCZSOHZKTHN-VIFPVBQESA-N 0 3 196.319 2.170 20 0 AEADHN Cc1cnccc1CN(C)C1CCC1 336221255 346445919 /nfs/dbraw/zinc/44/59/19/346445919.db2.gz VCVWXAXFMRUTMK-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN Cc1cncc(CN2CCC[C@H]2C)c1 336232855 346446678 /nfs/dbraw/zinc/44/66/78/346446678.db2.gz ACTNJNRYEQRMFM-LLVKDONJSA-N 0 3 190.290 2.374 20 0 AEADHN Cc1cncc(CN2CCC[C@@H]2C)c1 336232860 346447159 /nfs/dbraw/zinc/44/71/59/346447159.db2.gz ACTNJNRYEQRMFM-NSHDSACASA-N 0 3 190.290 2.374 20 0 AEADHN Cc1cc(CN(C)C2CCCC2)on1 336252410 346448509 /nfs/dbraw/zinc/44/85/09/346448509.db2.gz WUAHGTAKHSNBJC-UHFFFAOYSA-N 0 3 194.278 2.357 20 0 AEADHN CN([C@H]1C=CCCC1)C(C)(C)C(N)=O 336261062 346448588 /nfs/dbraw/zinc/44/85/88/346448588.db2.gz KJDQPUWGMVGMLF-VIFPVBQESA-N 0 3 196.294 2.341 20 0 AEADHN CN([C@@H]1C=CCCC1)C(C)(C)C(N)=O 336261061 346448786 /nfs/dbraw/zinc/44/87/86/346448786.db2.gz KJDQPUWGMVGMLF-SECBINFHSA-N 0 3 196.294 2.341 20 0 AEADHN C[C@H]1CCN(CC(N)=O)CC12CCC2 336257708 346449129 /nfs/dbraw/zinc/44/91/29/346449129.db2.gz LDMOHQQLBLKFMR-VIFPVBQESA-N 0 3 196.294 2.034 20 0 AEADHN C[C@H]1CCC(C)(C)N1Cc1ccon1 336304243 346453682 /nfs/dbraw/zinc/45/36/82/346453682.db2.gz FAXPVLLFVOUBHS-VIFPVBQESA-N 0 3 194.278 2.438 20 0 AEADHN Cc1ccc(CN(C)C2CC2)o1 336333127 346455088 /nfs/dbraw/zinc/45/50/88/346455088.db2.gz XQZXXVZHNJZLPD-UHFFFAOYSA-N 0 3 165.236 2.182 20 0 AEADHN CC(C)[C@H]1CCN1Cc1cccn1C 336331018 346454941 /nfs/dbraw/zinc/45/49/41/346454941.db2.gz PCHQGQQTTYVQFM-GFCCVEGCSA-N 0 3 192.306 2.255 20 0 AEADHN Cc1ncc(CN(C)C(C)C)s1 336333077 346455155 /nfs/dbraw/zinc/45/51/55/346455155.db2.gz HYMJHSMSPIBZHN-UHFFFAOYSA-N 0 3 184.308 2.292 20 0 AEADHN CC(C)[C@@H]1CCN1Cc1ccccn1 336331058 346455304 /nfs/dbraw/zinc/45/53/04/346455304.db2.gz WDDKXTDAPYCZFM-LBPRGKRZSA-N 0 3 190.290 2.312 20 0 AEADHN CC(C)[C@@H]1CCN1Cc1cccn1C 336331019 346455317 /nfs/dbraw/zinc/45/53/17/346455317.db2.gz PCHQGQQTTYVQFM-LBPRGKRZSA-N 0 3 192.306 2.255 20 0 AEADHN C[C@H](C(N)=O)N1CCC[C@H](C2CC2)C1 336343165 346456260 /nfs/dbraw/zinc/45/62/60/346456260.db2.gz IGWYUIOWBJHZMI-SCZZXKLOSA-N 0 3 196.294 2.032 20 0 AEADHN CC[C@@H]1CCCCN1Cc1c[nH]cn1 336352697 346457664 /nfs/dbraw/zinc/45/76/64/346457664.db2.gz ZKTIZIZLVXCTKP-LLVKDONJSA-N 0 3 193.294 2.174 20 0 AEADHN CC[C@@H]1CCCCN1Cc1cnc[nH]1 336352697 346457666 /nfs/dbraw/zinc/45/76/66/346457666.db2.gz ZKTIZIZLVXCTKP-LLVKDONJSA-N 0 3 193.294 2.174 20 0 AEADHN CC[C@@H]1CCCCN1Cc1cc[nH]n1 336361344 346458305 /nfs/dbraw/zinc/45/83/05/346458305.db2.gz SDZIEWSTUHBZOQ-LLVKDONJSA-N 0 3 193.294 2.174 20 0 AEADHN CC[C@H]1CCCCN1Cc1cc[nH]n1 336361345 346458325 /nfs/dbraw/zinc/45/83/25/346458325.db2.gz SDZIEWSTUHBZOQ-NSHDSACASA-N 0 3 193.294 2.174 20 0 AEADHN CN(Cc1cccnc1)[C@@H]1CC1(C)C 336366736 346458390 /nfs/dbraw/zinc/45/83/90/346458390.db2.gz WPOIZTORHINIQS-LLVKDONJSA-N 0 3 190.290 2.312 20 0 AEADHN CN(Cc1cccnc1)[C@H]1CC1(C)C 336366737 346458449 /nfs/dbraw/zinc/45/84/49/346458449.db2.gz WPOIZTORHINIQS-NSHDSACASA-N 0 3 190.290 2.312 20 0 AEADHN CC[C@H]1CCCN1Cc1conc1C 336377695 346459019 /nfs/dbraw/zinc/45/90/19/346459019.db2.gz IVCRPOYKDXESPC-NSHDSACASA-N 0 3 194.278 2.357 20 0 AEADHN C[C@H]1CCC[C@H](C)N1Cc1c[nH]cn1 336383943 346459176 /nfs/dbraw/zinc/45/91/76/346459176.db2.gz DCFWRUKWNPCCKN-UWVGGRQHSA-N 0 3 193.294 2.173 20 0 AEADHN C[C@H]1CCC[C@H](C)N1Cc1cnc[nH]1 336383943 346459178 /nfs/dbraw/zinc/45/91/78/346459178.db2.gz DCFWRUKWNPCCKN-UWVGGRQHSA-N 0 3 193.294 2.173 20 0 AEADHN CC[C@@H]1CC[C@@H](C)N1Cc1ccno1 336379747 346459230 /nfs/dbraw/zinc/45/92/30/346459230.db2.gz QWZPNWMIANCSKC-NXEZZACHSA-N 0 3 194.278 2.438 20 0 AEADHN CC[C@H]1CC[C@H](C)N1Cc1ccno1 336379748 346459255 /nfs/dbraw/zinc/45/92/55/346459255.db2.gz QWZPNWMIANCSKC-UWVGGRQHSA-N 0 3 194.278 2.438 20 0 AEADHN CC[C@H]1CCN(Cc2ccccn2)C1 336385328 346459296 /nfs/dbraw/zinc/45/92/96/346459296.db2.gz YLDZXAFFTNUJHK-NSHDSACASA-N 0 3 190.290 2.314 20 0 AEADHN CC[C@@H]1CCCN1Cc1conc1C 336377694 346459324 /nfs/dbraw/zinc/45/93/24/346459324.db2.gz IVCRPOYKDXESPC-LLVKDONJSA-N 0 3 194.278 2.357 20 0 AEADHN C[C@H]1CCN(Cc2ccno2)C[C@@H]1C 336371978 346459359 /nfs/dbraw/zinc/45/93/59/346459359.db2.gz WEIYMHGCQMSMPD-UWVGGRQHSA-N 0 3 194.278 2.153 20 0 AEADHN CC[C@H]1CC[C@@H](C)N1Cc1ccno1 336379750 346459467 /nfs/dbraw/zinc/45/94/67/346459467.db2.gz QWZPNWMIANCSKC-ZJUUUORDSA-N 0 3 194.278 2.438 20 0 AEADHN C[C@H]1CCN(Cc2ccno2)C[C@H]1C 336371979 346459507 /nfs/dbraw/zinc/45/95/07/346459507.db2.gz WEIYMHGCQMSMPD-VHSXEESVSA-N 0 3 194.278 2.153 20 0 AEADHN CC[C@H]1CCCN1Cc1cnoc1C 336429236 346462732 /nfs/dbraw/zinc/46/27/32/346462732.db2.gz DVOZYTGEFNSZLB-NSHDSACASA-N 0 3 194.278 2.357 20 0 AEADHN CC[C@@H]1CCCN1Cc1cnoc1C 336429235 346462757 /nfs/dbraw/zinc/46/27/57/346462757.db2.gz DVOZYTGEFNSZLB-LLVKDONJSA-N 0 3 194.278 2.357 20 0 AEADHN CC1=CCN(Cc2cccn2C)CC1 336436020 346462840 /nfs/dbraw/zinc/46/28/40/346462840.db2.gz VQJUFNKPMFNACY-UHFFFAOYSA-N 0 3 190.290 2.177 20 0 AEADHN C[C@H]1c2cccn2CCN1CC1CC1 336467311 346464562 /nfs/dbraw/zinc/46/45/62/346464562.db2.gz ROCSFRHHLJZISM-JTQLQIEISA-N 0 3 190.290 2.275 20 0 AEADHN CN(Cc1cccc(O)c1)C1CCC1 336472068 346465407 /nfs/dbraw/zinc/46/54/07/346465407.db2.gz WADRSSKPBJFEFN-UHFFFAOYSA-N 0 3 191.274 2.377 20 0 AEADHN CCCN1CCCC[C@H]1c1cc[nH]n1 336484934 346466199 /nfs/dbraw/zinc/46/61/99/346466199.db2.gz OIQDMLSIKFYPQZ-NSHDSACASA-N 0 3 193.294 2.347 20 0 AEADHN CC[C@H]1C[C@H](C)CN1Cc1ccon1 336484582 346466294 /nfs/dbraw/zinc/46/62/94/346466294.db2.gz WXOOZFXZQDBDDG-ONGXEEELSA-N 0 3 194.278 2.295 20 0 AEADHN CC[C@@H]1C[C@@H](C)CN1Cc1ccon1 336484581 346466314 /nfs/dbraw/zinc/46/63/14/346466314.db2.gz WXOOZFXZQDBDDG-MWLCHTKSSA-N 0 3 194.278 2.295 20 0 AEADHN CC[C@H]1C[C@@H](C)CN1Cc1ccon1 336484580 346466445 /nfs/dbraw/zinc/46/64/45/346466445.db2.gz WXOOZFXZQDBDDG-KOLCDFICSA-N 0 3 194.278 2.295 20 0 AEADHN CCCN1CCCC[C@@H]1c1cc[nH]n1 336484933 346466491 /nfs/dbraw/zinc/46/64/91/346466491.db2.gz OIQDMLSIKFYPQZ-LLVKDONJSA-N 0 3 193.294 2.347 20 0 AEADHN CC[C@@H]1C[C@H](C)CN1Cc1ccon1 336484579 346466513 /nfs/dbraw/zinc/46/65/13/346466513.db2.gz WXOOZFXZQDBDDG-GXSJLCMTSA-N 0 3 194.278 2.295 20 0 AEADHN Cc1cc(CN2C[C@H](C)C[C@H]2C)on1 336486093 346467079 /nfs/dbraw/zinc/46/70/79/346467079.db2.gz MMIRAUXNUUWGQQ-PSASIEDQSA-N 0 3 194.278 2.213 20 0 AEADHN CCc1nocc1CN1CC[C@H](C)C1 336490648 346467111 /nfs/dbraw/zinc/46/71/11/346467111.db2.gz IGRPNFMNHPYIFK-VIFPVBQESA-N 0 3 194.278 2.079 20 0 AEADHN Cc1cc(CN2C[C@H](C)C[C@@H]2C)on1 336486094 346467121 /nfs/dbraw/zinc/46/71/21/346467121.db2.gz MMIRAUXNUUWGQQ-SCZZXKLOSA-N 0 3 194.278 2.213 20 0 AEADHN CCc1nocc1CN1CC[C@@H](C)C1 336490647 346467284 /nfs/dbraw/zinc/46/72/84/346467284.db2.gz IGRPNFMNHPYIFK-SECBINFHSA-N 0 3 194.278 2.079 20 0 AEADHN Cc1cc(CN2C[C@@H](C)C[C@H]2C)on1 336486095 346467407 /nfs/dbraw/zinc/46/74/07/346467407.db2.gz MMIRAUXNUUWGQQ-WCBMZHEXSA-N 0 3 194.278 2.213 20 0 AEADHN Cc1cc(CN2C[C@@H](C)C[C@@H]2C)on1 336486096 346467441 /nfs/dbraw/zinc/46/74/41/346467441.db2.gz MMIRAUXNUUWGQQ-WPRPVWTQSA-N 0 3 194.278 2.213 20 0 AEADHN Cc1cc(CN2CCCCCC2)on1 336495686 346468295 /nfs/dbraw/zinc/46/82/95/346468295.db2.gz SSHCUDUVSPLLSV-UHFFFAOYSA-N 0 3 194.278 2.359 20 0 AEADHN CC1(C)CN(C2CCCC2)CCO1 336552381 346470947 /nfs/dbraw/zinc/47/09/47/346470947.db2.gz XKSBBGZILIXGRD-UHFFFAOYSA-N 0 3 183.295 2.040 20 0 AEADHN CN(Cc1cccn1C)[C@@H]1CC1(C)C 336549198 346471056 /nfs/dbraw/zinc/47/10/56/346471056.db2.gz QNPDKOOKHIVALZ-LLVKDONJSA-N 0 3 192.306 2.255 20 0 AEADHN CN(Cc1cccn1C)[C@H]1CC1(C)C 336549199 346471072 /nfs/dbraw/zinc/47/10/72/346471072.db2.gz QNPDKOOKHIVALZ-NSHDSACASA-N 0 3 192.306 2.255 20 0 AEADHN Cc1noc(C)c1CN(C)C(C)C 336552905 346471685 /nfs/dbraw/zinc/47/16/85/346471685.db2.gz OYPDWMZKEADMGQ-UHFFFAOYSA-N 0 3 182.267 2.132 20 0 AEADHN CN(Cc1ccsc1)C1CC1 336553367 346472401 /nfs/dbraw/zinc/47/24/01/346472401.db2.gz SBIBSRVMOPAXQB-UHFFFAOYSA-N 0 3 167.277 2.342 20 0 AEADHN Cc1cc(CN2C[C@H](C)[C@@H](C)C2)on1 336556130 346474879 /nfs/dbraw/zinc/47/48/79/346474879.db2.gz KCARBOXIEFXKAA-IUCAKERBSA-N 0 3 194.278 2.071 20 0 AEADHN Cc1cc(CN2CCC(C)(C)C2)on1 336556147 346474898 /nfs/dbraw/zinc/47/48/98/346474898.db2.gz ORISRYVQFSYTRP-UHFFFAOYSA-N 0 3 194.278 2.215 20 0 AEADHN Cc1noc(C)c1CN(C)C1CCC1 336556121 346475050 /nfs/dbraw/zinc/47/50/50/346475050.db2.gz IOKIOVGSRWYTJG-UHFFFAOYSA-N 0 3 194.278 2.276 20 0 AEADHN Cc1noc(C)c1CN1CCC[C@H]1C 336556169 346475326 /nfs/dbraw/zinc/47/53/26/346475326.db2.gz UBFVRHNBYMVURD-MRVPVSSYSA-N 0 3 194.278 2.276 20 0 AEADHN Cc1cc(CN2C[C@@H](C)[C@@H](C)C2)on1 336556129 346475585 /nfs/dbraw/zinc/47/55/85/346475585.db2.gz KCARBOXIEFXKAA-DTORHVGOSA-N 0 3 194.278 2.071 20 0 AEADHN Cc1noc(C)c1CN1CCC[C@@H]1C 336556170 346475593 /nfs/dbraw/zinc/47/55/93/346475593.db2.gz UBFVRHNBYMVURD-QMMMGPOBSA-N 0 3 194.278 2.276 20 0 AEADHN C[C@H]1[C@H](C)CCCN1Cc1c[nH]cn1 336573787 346476282 /nfs/dbraw/zinc/47/62/82/346476282.db2.gz WXGPDJSRHNNJOQ-ZJUUUORDSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@H]1[C@H](C)CCCN1Cc1cnc[nH]1 336573787 346476283 /nfs/dbraw/zinc/47/62/83/346476283.db2.gz WXGPDJSRHNNJOQ-ZJUUUORDSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@H]1CCCN(Cc2c[nH]cn2)[C@H]1C 336573785 346476299 /nfs/dbraw/zinc/47/62/99/346476299.db2.gz WXGPDJSRHNNJOQ-UWVGGRQHSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@H]1CCCN(Cc2cnc[nH]2)[C@H]1C 336573785 346476301 /nfs/dbraw/zinc/47/63/01/346476301.db2.gz WXGPDJSRHNNJOQ-UWVGGRQHSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@H]1CCCN(Cc2c[nH]cn2)[C@@H]1C 336573786 346476329 /nfs/dbraw/zinc/47/63/29/346476329.db2.gz WXGPDJSRHNNJOQ-VHSXEESVSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@H]1CCCN(Cc2cnc[nH]2)[C@@H]1C 336573786 346476331 /nfs/dbraw/zinc/47/63/31/346476331.db2.gz WXGPDJSRHNNJOQ-VHSXEESVSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@H]1CCN([C@H](C)C(N)=O)CC1(C)C 336573560 346476412 /nfs/dbraw/zinc/47/64/12/346476412.db2.gz PHJNFCDWPYZDIG-DTWKUNHWSA-N 0 3 198.310 2.278 20 0 AEADHN CN(Cc1cc(O)cc(F)c1)C1CC1 336583282 346476927 /nfs/dbraw/zinc/47/69/27/346476927.db2.gz DPGYSFVVMMPNDL-UHFFFAOYSA-N 0 3 195.237 2.126 20 0 AEADHN CC[C@H]1CCN(Cc2cccnc2)C1 336586268 346477180 /nfs/dbraw/zinc/47/71/80/346477180.db2.gz KYOQQGNPIXTNJG-NSHDSACASA-N 0 3 190.290 2.314 20 0 AEADHN CN(Cc1c[nH]cn1)C1CCCCC1 336596435 346477667 /nfs/dbraw/zinc/47/76/67/346477667.db2.gz ZKGXDLZSQZJPLY-UHFFFAOYSA-N 0 3 193.294 2.174 20 0 AEADHN CN(Cc1cnc[nH]1)C1CCCCC1 336596435 346477672 /nfs/dbraw/zinc/47/76/72/346477672.db2.gz ZKGXDLZSQZJPLY-UHFFFAOYSA-N 0 3 193.294 2.174 20 0 AEADHN C[C@H]1CCCN1[C@@H](C)c1cnccn1 336604233 346478482 /nfs/dbraw/zinc/47/84/82/346478482.db2.gz FGIVQFCBJHHTQU-UWVGGRQHSA-N 0 3 191.278 2.022 20 0 AEADHN C[C@H]1CCCN(Cc2ccncc2)C1 336603381 346478640 /nfs/dbraw/zinc/47/86/40/346478640.db2.gz OIFOFENNMLDFLX-NSHDSACASA-N 0 3 190.290 2.314 20 0 AEADHN C[C@H]1CCCN1[C@H](C)c1cnccn1 336604234 346478708 /nfs/dbraw/zinc/47/87/08/346478708.db2.gz FGIVQFCBJHHTQU-VHSXEESVSA-N 0 3 191.278 2.022 20 0 AEADHN Cc1ncc(CN2CC[C@@H](C)C2)s1 336631419 346480619 /nfs/dbraw/zinc/48/06/19/346480619.db2.gz LAFIKHYFKKCEAD-MRVPVSSYSA-N 0 3 196.319 2.293 20 0 AEADHN Cc1ncc(CN(C)C2CCC2)s1 336631457 346480916 /nfs/dbraw/zinc/48/09/16/346480916.db2.gz TTZOMORYCMETSC-UHFFFAOYSA-N 0 3 196.319 2.436 20 0 AEADHN CCC(CC)SCCN(C)C 378972630 346487688 /nfs/dbraw/zinc/48/76/88/346487688.db2.gz KDACPSOSJRBEPT-UHFFFAOYSA-N 0 3 175.341 2.470 20 0 AEADHN CSCCCSCCN(C)C 378972864 346487857 /nfs/dbraw/zinc/48/78/57/346487857.db2.gz KJRZZDKCNWDQFN-UHFFFAOYSA-N 0 3 193.381 2.034 20 0 AEADHN CN(C)CCSCCCCF 379233679 346489717 /nfs/dbraw/zinc/48/97/17/346489717.db2.gz QMDXEVOCWDJWMU-UHFFFAOYSA-N 0 3 179.304 2.031 20 0 AEADHN CN(C)CCS[C@H]1C=CCCC1 379337282 346502228 /nfs/dbraw/zinc/50/22/28/346502228.db2.gz WHLDAEOZWIAUBM-JTQLQIEISA-N 0 3 185.336 2.390 20 0 AEADHN CN(C)CCS[C@@H]1C=CCCC1 379337283 346502419 /nfs/dbraw/zinc/50/24/19/346502419.db2.gz WHLDAEOZWIAUBM-SNVBAGLBSA-N 0 3 185.336 2.390 20 0 AEADHN CSC1(CN[C@H](C)CF)CCC1 379337888 346502915 /nfs/dbraw/zinc/50/29/15/346502915.db2.gz ZUYJKFUYNVKZDI-MRVPVSSYSA-N 0 3 191.315 2.220 20 0 AEADHN CSC1(CN[C@@H](C)CF)CCC1 379337889 346503052 /nfs/dbraw/zinc/50/30/52/346503052.db2.gz ZUYJKFUYNVKZDI-QMMMGPOBSA-N 0 3 191.315 2.220 20 0 AEADHN CCCN(C)Cc1ccc(C#N)s1 379363454 346506885 /nfs/dbraw/zinc/50/68/85/346506885.db2.gz KBKBDAMBUCUMSJ-UHFFFAOYSA-N 0 3 194.303 2.462 20 0 AEADHN CCCCCN1CCOC(C)(C)C1 379374682 346508575 /nfs/dbraw/zinc/50/85/75/346508575.db2.gz NFZINJIGVBAMPG-UHFFFAOYSA-N 0 3 185.311 2.287 20 0 AEADHN CCCCCN1CCOCC1(C)C 379376130 346509669 /nfs/dbraw/zinc/50/96/69/346509669.db2.gz RYIYLVMEANTPEA-UHFFFAOYSA-N 0 3 185.311 2.287 20 0 AEADHN CCN(Cc1ccno1)C1CCC1 379396483 346515704 /nfs/dbraw/zinc/51/57/04/346515704.db2.gz HEFRYGYZGWUCMC-UHFFFAOYSA-N 0 3 180.251 2.049 20 0 AEADHN CO[C@@H](C)CCNCc1occc1C 379583783 346525564 /nfs/dbraw/zinc/52/55/64/346525564.db2.gz NOSCPPLAFFDFTR-JTQLQIEISA-N 0 3 197.278 2.103 20 0 AEADHN CO[C@H](C)CCNCc1occc1C 379583784 346525986 /nfs/dbraw/zinc/52/59/86/346525986.db2.gz NOSCPPLAFFDFTR-SNVBAGLBSA-N 0 3 197.278 2.103 20 0 AEADHN CCC1(NCc2ccc(C#N)o2)CC1 379741358 346529127 /nfs/dbraw/zinc/52/91/27/346529127.db2.gz NQDUCVKCPRHPCB-UHFFFAOYSA-N 0 3 190.246 2.183 20 0 AEADHN CC(C)CCN(C)Cc1ccno1 382026829 346531488 /nfs/dbraw/zinc/53/14/88/346531488.db2.gz PZSPFNOTLGDFCB-UHFFFAOYSA-N 0 3 182.267 2.153 20 0 AEADHN CC[C@@H]1CN(CCC(C)C)CCO1 388254276 346548793 /nfs/dbraw/zinc/54/87/93/346548793.db2.gz AUVQGEWFSAUAOS-LLVKDONJSA-N 0 3 185.311 2.143 20 0 AEADHN CC[C@H]1CN(CCC(C)C)CCO1 388254277 346548841 /nfs/dbraw/zinc/54/88/41/346548841.db2.gz AUVQGEWFSAUAOS-NSHDSACASA-N 0 3 185.311 2.143 20 0 AEADHN CCN(CCC(F)(F)F)C1CC1 388430472 346554320 /nfs/dbraw/zinc/55/43/20/346554320.db2.gz NFDSKWDZQZYNGG-UHFFFAOYSA-N 0 3 181.201 2.423 20 0 AEADHN CC[C@@H](C)CN(C)Cc1ccno1 388777045 346566439 /nfs/dbraw/zinc/56/64/39/346566439.db2.gz ILPLJEFUAXYYIM-SECBINFHSA-N 0 3 182.267 2.153 20 0 AEADHN CC[C@H](C)CN(C)Cc1ccno1 388777046 346566537 /nfs/dbraw/zinc/56/65/37/346566537.db2.gz ILPLJEFUAXYYIM-VIFPVBQESA-N 0 3 182.267 2.153 20 0 AEADHN CC(C)CN(C)Cc1ccncc1 388812453 346567368 /nfs/dbraw/zinc/56/73/68/346567368.db2.gz RLEBHSDIAJAWDB-UHFFFAOYSA-N 0 3 178.279 2.169 20 0 AEADHN C[C@@H](NCc1ccc(F)cn1)C1CC1 389327605 346572283 /nfs/dbraw/zinc/57/22/83/346572283.db2.gz UEOOSPCWFCXAHT-MRVPVSSYSA-N 0 3 194.253 2.109 20 0 AEADHN CO[C@H](CNCc1ccco1)C(C)C 389347233 346572337 /nfs/dbraw/zinc/57/23/37/346572337.db2.gz MFVYNFXHTAGISY-LLVKDONJSA-N 0 3 197.278 2.040 20 0 AEADHN CO[C@@H](CNCc1ccco1)C(C)C 389347234 346572596 /nfs/dbraw/zinc/57/25/96/346572596.db2.gz MFVYNFXHTAGISY-NSHDSACASA-N 0 3 197.278 2.040 20 0 AEADHN C[C@H](NCc1ccc(F)cn1)C1CC1 389327606 346572646 /nfs/dbraw/zinc/57/26/46/346572646.db2.gz UEOOSPCWFCXAHT-QMMMGPOBSA-N 0 3 194.253 2.109 20 0 AEADHN CC(C)C(C)(C)NCc1ccon1 393581372 346579766 /nfs/dbraw/zinc/57/97/66/346579766.db2.gz IMPCVZSVJVSHAP-UHFFFAOYSA-N 0 3 182.267 2.199 20 0 AEADHN CC(=O)CN1CCC[C@@H]1CC(C)C 396886814 346591010 /nfs/dbraw/zinc/59/10/10/346591010.db2.gz VRMDZJKHOZUAKQ-LLVKDONJSA-N 0 3 183.295 2.086 20 0 AEADHN CC(=O)CN1CCC[C@H]1CC(C)C 396886815 346591096 /nfs/dbraw/zinc/59/10/96/346591096.db2.gz VRMDZJKHOZUAKQ-NSHDSACASA-N 0 3 183.295 2.086 20 0 AEADHN CCC1CCC(N)(c2ncc[nH]2)CC1 521401733 346710625 /nfs/dbraw/zinc/71/06/25/346710625.db2.gz OAPGJCRTOKQAME-UHFFFAOYSA-N 0 3 193.294 2.164 20 0 AEADHN CC1(C)CCCC[C@@]1(N)c1ncc[nH]1 521402128 346711027 /nfs/dbraw/zinc/71/10/27/346711027.db2.gz VNWKGWFGIPTOOK-LLVKDONJSA-N 0 3 193.294 2.164 20 0 AEADHN C[C@H]1CC[C@@H](C)C[C@@]1(N)c1ncc[nH]1 521402067 346711041 /nfs/dbraw/zinc/71/10/41/346711041.db2.gz TUGWGABDYMIHOC-YWVKMMECSA-N 0 3 193.294 2.020 20 0 AEADHN C[C@H]1CCC[C@H](C)C1(N)c1ncc[nH]1 521402075 346711054 /nfs/dbraw/zinc/71/10/54/346711054.db2.gz UAWOZFJRPIYRQW-IUCAKERBSA-N 0 3 193.294 2.020 20 0 AEADHN C[C@H]1CCC[C@@H](C)[C@]1(N)c1ncc[nH]1 521402074 346711068 /nfs/dbraw/zinc/71/10/68/346711068.db2.gz UAWOZFJRPIYRQW-DOFRTFSJSA-N 0 3 193.294 2.020 20 0 AEADHN C[C@@H]1CC[C@@H](C)[C@](N)(c2ncc[nH]2)C1 521402063 346711104 /nfs/dbraw/zinc/71/11/04/346711104.db2.gz TUGWGABDYMIHOC-KKZNHRDASA-N 0 3 193.294 2.020 20 0 AEADHN CC1(C)CCCC[C@]1(N)c1ncc[nH]1 521402131 346711107 /nfs/dbraw/zinc/71/11/07/346711107.db2.gz VNWKGWFGIPTOOK-NSHDSACASA-N 0 3 193.294 2.164 20 0 AEADHN C[C@@H]1CCC[C@@H](C)C1(N)c1ncc[nH]1 521402076 346711164 /nfs/dbraw/zinc/71/11/64/346711164.db2.gz UAWOZFJRPIYRQW-RKDXNWHRSA-N 0 3 193.294 2.020 20 0 AEADHN C[C@H]1CC[C@@H](C)C[C@]1(N)c1ncc[nH]1 521402065 346711193 /nfs/dbraw/zinc/71/11/93/346711193.db2.gz TUGWGABDYMIHOC-WCABBAIRSA-N 0 3 193.294 2.020 20 0 AEADHN C[C@@H](N)c1cc2cc[nH]c2cc1F 584610338 346726485 /nfs/dbraw/zinc/72/64/85/346726485.db2.gz ULOHMRYDIIYAAE-ZCFIWIBFSA-N 0 3 178.210 2.327 20 0 AEADHN CCN(CCCOC)Cc1ccoc1 588169082 346765824 /nfs/dbraw/zinc/76/58/24/346765824.db2.gz TWIYFMGAKMKGLM-UHFFFAOYSA-N 0 3 197.278 2.138 20 0 AEADHN Cc1cc(CN(C)CC(C)(C)C)on1 588901424 346767355 /nfs/dbraw/zinc/76/73/55/346767355.db2.gz MXZNECYDKVNSND-UHFFFAOYSA-N 0 3 196.294 2.461 20 0 AEADHN COc1ccc(CN(C)C2CC2)cc1 588901817 346767684 /nfs/dbraw/zinc/76/76/84/346767684.db2.gz DERAHHUEYKABRY-UHFFFAOYSA-N 0 3 191.274 2.289 20 0 AEADHN C[C@@H](c1ccco1)N(C)CCCCO 590598415 346783936 /nfs/dbraw/zinc/78/39/36/346783936.db2.gz YRRWWWVDSYVYDG-JTQLQIEISA-N 0 3 197.278 2.045 20 0 AEADHN C[C@H](c1ccco1)N(C)CCCCO 590598416 346783746 /nfs/dbraw/zinc/78/37/46/346783746.db2.gz YRRWWWVDSYVYDG-SNVBAGLBSA-N 0 3 197.278 2.045 20 0 AEADHN CN(C)CCSCC1(C)CCC1 590726816 346790175 /nfs/dbraw/zinc/79/01/75/346790175.db2.gz YWWNLVUGHYFGEG-UHFFFAOYSA-N 0 3 187.352 2.471 20 0 AEADHN CC[C@H](C)N(C)Cc1cnc(C)nc1 591376385 346812356 /nfs/dbraw/zinc/81/23/56/346812356.db2.gz JUNNOIPIFRUIBN-VIFPVBQESA-N 0 3 193.294 2.015 20 0 AEADHN CC[C@@H](C)N(C)Cc1cc(C)no1 591376406 346812369 /nfs/dbraw/zinc/81/23/69/346812369.db2.gz UJZWEWKSFGRTSR-SECBINFHSA-N 0 3 182.267 2.213 20 0 AEADHN CC[C@@H](C)N(C)Cc1cnc(C)nc1 591376384 346812733 /nfs/dbraw/zinc/81/27/33/346812733.db2.gz JUNNOIPIFRUIBN-SECBINFHSA-N 0 3 193.294 2.015 20 0 AEADHN CC[C@H](C)N(C)Cc1cc(C)no1 591376407 346812781 /nfs/dbraw/zinc/81/27/81/346812781.db2.gz UJZWEWKSFGRTSR-VIFPVBQESA-N 0 3 182.267 2.213 20 0 AEADHN CN(C)CCSCC1=CCCC1 592347608 346828713 /nfs/dbraw/zinc/82/87/13/346828713.db2.gz KPZFQNYKRPFXBO-UHFFFAOYSA-N 0 3 185.336 2.392 20 0 AEADHN COCCCN1Cc2ccccc2C1 592317841 346828983 /nfs/dbraw/zinc/82/89/83/346828983.db2.gz IIMOJBHHYAULQJ-UHFFFAOYSA-N 0 3 191.274 2.039 20 0 AEADHN CC[C@H](O)CN(C)[C@H](C)c1ccco1 592390193 346830307 /nfs/dbraw/zinc/83/03/07/346830307.db2.gz VWPKRVYRVZCNHS-ZJUUUORDSA-N 0 3 197.278 2.043 20 0 AEADHN CC[C@@H](O)CN(C)[C@@H](C)c1ccco1 592390192 346830680 /nfs/dbraw/zinc/83/06/80/346830680.db2.gz VWPKRVYRVZCNHS-VHSXEESVSA-N 0 3 197.278 2.043 20 0 AEADHN CC[C@H](O)CN(C)[C@@H](C)c1ccco1 592390191 346830724 /nfs/dbraw/zinc/83/07/24/346830724.db2.gz VWPKRVYRVZCNHS-UWVGGRQHSA-N 0 3 197.278 2.043 20 0 AEADHN CC[C@@H](O)CN(C)[C@H](C)c1ccco1 592390182 346830781 /nfs/dbraw/zinc/83/07/81/346830781.db2.gz VWPKRVYRVZCNHS-NXEZZACHSA-N 0 3 197.278 2.043 20 0 AEADHN CN(C)CCSCC1CC=CC1 594892407 346853368 /nfs/dbraw/zinc/85/33/68/346853368.db2.gz WSGXGNFKPZRIKD-UHFFFAOYSA-N 0 3 185.336 2.247 20 0 AEADHN CN(C)CCSCCC1CCC1 594891757 346853535 /nfs/dbraw/zinc/85/35/35/346853535.db2.gz NOAGTRIVYBBCRH-UHFFFAOYSA-N 0 3 187.352 2.471 20 0 AEADHN CCCN(C)Cc1scnc1C 595585017 346860911 /nfs/dbraw/zinc/86/09/11/346860911.db2.gz UUGZBOXPARPRTL-UHFFFAOYSA-N 0 3 184.308 2.293 20 0 AEADHN C[C@@H](CSCCF)N[C@H](C)CF 597133670 346884173 /nfs/dbraw/zinc/88/41/73/346884173.db2.gz XFXHJVMSHCVMFU-SFYZADRCSA-N 0 3 197.294 2.025 20 0 AEADHN C[C@H](CF)N[C@H](C)CSCCF 597133654 346884267 /nfs/dbraw/zinc/88/42/67/346884267.db2.gz XFXHJVMSHCVMFU-HTQZYQBOSA-N 0 3 197.294 2.025 20 0 AEADHN C[C@@H](CF)N[C@@H](C)CSCCF 597133671 346884304 /nfs/dbraw/zinc/88/43/04/346884304.db2.gz XFXHJVMSHCVMFU-YUMQZZPRSA-N 0 3 197.294 2.025 20 0 AEADHN C[C@@H](CF)N[C@H](C)CSCCF 597133668 346884398 /nfs/dbraw/zinc/88/43/98/346884398.db2.gz XFXHJVMSHCVMFU-JGVFFNPUSA-N 0 3 197.294 2.025 20 0 AEADHN CCN(Cc1cccc(O)c1)C1CC1 599179316 346901985 /nfs/dbraw/zinc/90/19/85/346901985.db2.gz FEONKEMZBFQGFV-UHFFFAOYSA-N 0 3 191.274 2.377 20 0 AEADHN CC(C)N(Cc1ccno1)CC1CC1 600624707 346912713 /nfs/dbraw/zinc/91/27/13/346912713.db2.gz BMMVRYOVQCETDF-UHFFFAOYSA-N 0 3 194.278 2.295 20 0 AEADHN CC(C)CN(Cc1ccno1)C1CC1 600622275 346913057 /nfs/dbraw/zinc/91/30/57/346913057.db2.gz FVIDPSQOEBEPLZ-UHFFFAOYSA-N 0 3 194.278 2.295 20 0 AEADHN CCN(Cc1ccno1)C1CCCC1 600625294 346913161 /nfs/dbraw/zinc/91/31/61/346913161.db2.gz QMSZLGWCXFNUIB-UHFFFAOYSA-N 0 3 194.278 2.439 20 0 AEADHN CCCCN(Cc1ccno1)C1CC1 600626950 346913186 /nfs/dbraw/zinc/91/31/86/346913186.db2.gz MCADJJLAWKWXSE-UHFFFAOYSA-N 0 3 194.278 2.439 20 0 AEADHN CCCN(C)[C@@H](C)c1ccncc1 600630158 346913729 /nfs/dbraw/zinc/91/37/29/346913729.db2.gz ZKWFCCPLZGTIKN-JTQLQIEISA-N 0 3 178.279 2.484 20 0 AEADHN c1cc(CN2CCC[C@@H]2C2CC2)on1 600635885 346913768 /nfs/dbraw/zinc/91/37/68/346913768.db2.gz KJDLOQPSRUUNSL-LLVKDONJSA-N 0 3 192.262 2.049 20 0 AEADHN CCCN(C)[C@H](C)c1ccncc1 600630167 346913849 /nfs/dbraw/zinc/91/38/49/346913849.db2.gz ZKWFCCPLZGTIKN-SNVBAGLBSA-N 0 3 178.279 2.484 20 0 AEADHN c1cc(CN2CCC[C@H]2C2CC2)on1 600635887 346913864 /nfs/dbraw/zinc/91/38/64/346913864.db2.gz KJDLOQPSRUUNSL-NSHDSACASA-N 0 3 192.262 2.049 20 0 AEADHN CCCN(Cc1ncc[nH]1)CC(C)C 600630035 346913883 /nfs/dbraw/zinc/91/38/83/346913883.db2.gz XORNEYAGFQTSCA-UHFFFAOYSA-N 0 3 195.310 2.278 20 0 AEADHN CC[C@H](C)CN(C)Cc1cc(C)no1 600685291 346915462 /nfs/dbraw/zinc/91/54/62/346915462.db2.gz YFWGZZBODKEHCP-VIFPVBQESA-N 0 3 196.294 2.461 20 0 AEADHN CN(Cc1ccccn1)CC1CCC1 600711483 346915494 /nfs/dbraw/zinc/91/54/94/346915494.db2.gz WOACIYIXWHUYDX-UHFFFAOYSA-N 0 3 190.290 2.314 20 0 AEADHN CN(Cc1cccnc1)CC1CCC1 600713284 346915630 /nfs/dbraw/zinc/91/56/30/346915630.db2.gz ZBGFKTSAQRXEKR-UHFFFAOYSA-N 0 3 190.290 2.314 20 0 AEADHN CC[C@@H](C)CN(C)Cc1cc(C)no1 600685290 346915792 /nfs/dbraw/zinc/91/57/92/346915792.db2.gz YFWGZZBODKEHCP-SECBINFHSA-N 0 3 196.294 2.461 20 0 AEADHN CC[C@H]1CN(CC(C)C)C[C@H](C)O1 600701475 346915994 /nfs/dbraw/zinc/91/59/94/346915994.db2.gz ZRFGUYSJEJCOHZ-QWRGUYRKSA-N 0 3 185.311 2.142 20 0 AEADHN CC[C@@H]1CN(CC(C)C)C[C@@H](C)O1 600701470 346915998 /nfs/dbraw/zinc/91/59/98/346915998.db2.gz ZRFGUYSJEJCOHZ-GHMZBOCLSA-N 0 3 185.311 2.142 20 0 AEADHN CC[C@@H]1CN(CC(C)C)C[C@H](C)O1 600701476 346916033 /nfs/dbraw/zinc/91/60/33/346916033.db2.gz ZRFGUYSJEJCOHZ-WDEREUQCSA-N 0 3 185.311 2.142 20 0 AEADHN CC[C@H]1CN(CC(C)C)C[C@@H](C)O1 600701474 346916047 /nfs/dbraw/zinc/91/60/47/346916047.db2.gz ZRFGUYSJEJCOHZ-MNOVXSKESA-N 0 3 185.311 2.142 20 0 AEADHN CN(C)CCSC1CC(C)(C)C1 601078611 346921267 /nfs/dbraw/zinc/92/12/67/346921267.db2.gz NCPXNYRPVXGECR-UHFFFAOYSA-N 0 3 187.352 2.470 20 0 AEADHN CCN(Cc1ccccn1)CC1CC1 601832178 346925047 /nfs/dbraw/zinc/92/50/47/346925047.db2.gz HHTUTVZHCSIZHO-UHFFFAOYSA-N 0 3 190.290 2.314 20 0 AEADHN CCN(Cc1cc(C)no1)CC1CC1 601832195 346925177 /nfs/dbraw/zinc/92/51/77/346925177.db2.gz WPJPTNHPBCHXNF-UHFFFAOYSA-N 0 3 194.278 2.215 20 0 AEADHN CCN(Cc1cccnc1)CC1CC1 601833849 346925233 /nfs/dbraw/zinc/92/52/33/346925233.db2.gz OEYRHOZGZOSNFM-UHFFFAOYSA-N 0 3 190.290 2.314 20 0 AEADHN CCN(CCSC)Cc1ccco1 603633188 346956977 /nfs/dbraw/zinc/95/69/77/346956977.db2.gz LDKROWAZEVPEAP-UHFFFAOYSA-N 0 3 199.319 2.465 20 0 AEADHN CC(C)C[C@H]1COCCN1CC(C)C 603713055 346957334 /nfs/dbraw/zinc/95/73/34/346957334.db2.gz LSAFCYYCQYNOFA-LBPRGKRZSA-N 0 3 199.338 2.389 20 0 AEADHN CCCCN(C)Cc1cnn(CC)c1 603713617 346957360 /nfs/dbraw/zinc/95/73/60/346957360.db2.gz WUZOTEDQUKJQQF-UHFFFAOYSA-N 0 3 195.310 2.135 20 0 AEADHN CCCN1CCOC[C@@H]1CC(C)C 603713554 346957528 /nfs/dbraw/zinc/95/75/28/346957528.db2.gz VXPNBKZTQAMGNI-NSHDSACASA-N 0 3 185.311 2.143 20 0 AEADHN CCCN1CCOC[C@H]1CC(C)C 603713553 346957560 /nfs/dbraw/zinc/95/75/60/346957560.db2.gz VXPNBKZTQAMGNI-LLVKDONJSA-N 0 3 185.311 2.143 20 0 AEADHN CC(C)C[C@@H]1COCCN1CC(C)C 603713054 346957641 /nfs/dbraw/zinc/95/76/41/346957641.db2.gz LSAFCYYCQYNOFA-GFCCVEGCSA-N 0 3 199.338 2.389 20 0 AEADHN COCCCCN(C)Cc1ccco1 603823718 346959305 /nfs/dbraw/zinc/95/93/05/346959305.db2.gz KQGDDIUSRXRRMS-UHFFFAOYSA-N 0 3 197.278 2.138 20 0 AEADHN CCC(C)(C)N(C)Cc1cnn(C)c1 603937882 346960524 /nfs/dbraw/zinc/96/05/24/346960524.db2.gz XZOWLBDHIMVDOS-UHFFFAOYSA-N 0 3 195.310 2.041 20 0 AEADHN CC[C@@H]1COCCN1CC1CCCC1 604396864 346962538 /nfs/dbraw/zinc/96/25/38/346962538.db2.gz WZSJNJMLRDFRJA-GFCCVEGCSA-N 0 3 197.322 2.287 20 0 AEADHN CSCCN(C)Cc1ccoc1C 604324434 346962571 /nfs/dbraw/zinc/96/25/71/346962571.db2.gz NGPSLFQFCLEJDO-UHFFFAOYSA-N 0 3 199.319 2.383 20 0 AEADHN CC[C@H]1COCCN1CC1CCCC1 604396865 346962698 /nfs/dbraw/zinc/96/26/98/346962698.db2.gz WZSJNJMLRDFRJA-LBPRGKRZSA-N 0 3 197.322 2.287 20 0 AEADHN COCCCCN(C)Cc1ccoc1 605150118 346968517 /nfs/dbraw/zinc/96/85/17/346968517.db2.gz UNBKSMKZCIBWRY-UHFFFAOYSA-N 0 3 197.278 2.138 20 0 AEADHN Cc1cccc(CN(C)CC(C)C)n1 605574413 346972414 /nfs/dbraw/zinc/97/24/14/346972414.db2.gz JKSBTJWSZSKLGC-UHFFFAOYSA-N 0 3 192.306 2.478 20 0 AEADHN CCCN(C)Cc1cccc(C)n1 605574451 346972842 /nfs/dbraw/zinc/97/28/42/346972842.db2.gz UYYIXRZWIZTDJP-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN Cc1cccc(CN(C)CC2CC2)n1 605575632 346972921 /nfs/dbraw/zinc/97/29/21/346972921.db2.gz LYWCDHRQFBFSHN-UHFFFAOYSA-N 0 3 190.290 2.232 20 0 AEADHN CCN(Cc1cc(C)no1)C1CCC1 606434837 346982180 /nfs/dbraw/zinc/98/21/80/346982180.db2.gz HQPNVGYLMWNRQQ-UHFFFAOYSA-N 0 3 194.278 2.357 20 0 AEADHN CCO[C@@H]1CCCN(CC=C(C)C)C1 606438826 346982233 /nfs/dbraw/zinc/98/22/33/346982233.db2.gz OIGZKROTZMJRJQ-GFCCVEGCSA-N 0 3 197.322 2.454 20 0 AEADHN CCO[C@H]1CCCN(CC=C(C)C)C1 606438827 346982416 /nfs/dbraw/zinc/98/24/16/346982416.db2.gz OIGZKROTZMJRJQ-LBPRGKRZSA-N 0 3 197.322 2.454 20 0 AEADHN Cc1ncsc1CCN(C)C1CC1 606431475 346982545 /nfs/dbraw/zinc/98/25/45/346982545.db2.gz AKGQPAIOIREEMF-UHFFFAOYSA-N 0 3 196.319 2.088 20 0 AEADHN CCN(Cc1cccnc1)C1CCC1 606539642 346983206 /nfs/dbraw/zinc/98/32/06/346983206.db2.gz VSDVQDCLPIRAQC-UHFFFAOYSA-N 0 3 190.290 2.456 20 0 AEADHN CCN(Cc1ccccn1)C1CCC1 606539497 346983259 /nfs/dbraw/zinc/98/32/59/346983259.db2.gz DQERZVPPPRKTPH-UHFFFAOYSA-N 0 3 190.290 2.456 20 0 AEADHN c1cc(CN2CCC[C@@H]2C2CC2)no1 607151830 346988552 /nfs/dbraw/zinc/98/85/52/346988552.db2.gz PSHHMCSGSIUOLO-LLVKDONJSA-N 0 3 192.262 2.049 20 0 AEADHN c1cc(CN2CCC[C@H]2C2CC2)no1 607151831 346988935 /nfs/dbraw/zinc/98/89/35/346988935.db2.gz PSHHMCSGSIUOLO-NSHDSACASA-N 0 3 192.262 2.049 20 0 AEADHN CCCN(Cc1ccncc1)C1CC1 607753592 346996281 /nfs/dbraw/zinc/99/62/81/346996281.db2.gz DFFBWOREVALNCX-UHFFFAOYSA-N 0 3 190.290 2.456 20 0 AEADHN CCC(C)(C)CCN1CCN(C)CC1 608492057 347003192 /nfs/dbraw/zinc/00/31/92/347003192.db2.gz QSNJTRREPLXXTQ-UHFFFAOYSA-N 0 3 198.354 2.060 20 0 AEADHN CCN(CC)[C@H](C)c1ccncc1 608491976 347003263 /nfs/dbraw/zinc/00/32/63/347003263.db2.gz GUZAKEHZBQTYCN-SNVBAGLBSA-N 0 3 178.279 2.484 20 0 AEADHN CCN(CC)[C@@H](C)c1ccncc1 608491975 347003524 /nfs/dbraw/zinc/00/35/24/347003524.db2.gz GUZAKEHZBQTYCN-JTQLQIEISA-N 0 3 178.279 2.484 20 0 AEADHN CC[C@@H]1CO[C@@H](C)CN1CCC1CC1 608492555 347003605 /nfs/dbraw/zinc/00/36/05/347003605.db2.gz SIQLSGVBCBDDHJ-CMPLNLGQSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@H]1CO[C@@H](C)CN1CCC1CC1 608492556 347003628 /nfs/dbraw/zinc/00/36/28/347003628.db2.gz SIQLSGVBCBDDHJ-JQWIXIFHSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@H]1CO[C@H](C)CN1CCC1CC1 608492557 347003696 /nfs/dbraw/zinc/00/36/96/347003696.db2.gz SIQLSGVBCBDDHJ-PWSUYJOCSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@@H]1CO[C@H](C)CN1CCC1CC1 608492558 347004181 /nfs/dbraw/zinc/00/41/81/347004181.db2.gz SIQLSGVBCBDDHJ-ZYHUDNBSSA-N 0 3 197.322 2.286 20 0 AEADHN COC[C@@H](C)N(C)Cc1ccoc1C 608493160 347004375 /nfs/dbraw/zinc/00/43/75/347004375.db2.gz HWCITKBZMRVCEO-SECBINFHSA-N 0 3 197.278 2.055 20 0 AEADHN C[C@@H]1CN(CCC2CC2)CC(C)(C)O1 608493468 347004471 /nfs/dbraw/zinc/00/44/71/347004471.db2.gz QZWPOQYKJHRCKJ-SNVBAGLBSA-N 0 3 197.322 2.286 20 0 AEADHN COC[C@H](C)N(C)Cc1ccoc1C 608493161 347004498 /nfs/dbraw/zinc/00/44/98/347004498.db2.gz HWCITKBZMRVCEO-VIFPVBQESA-N 0 3 197.278 2.055 20 0 AEADHN C[C@H]1CN(CCC2CC2)CC(C)(C)O1 608493467 347004523 /nfs/dbraw/zinc/00/45/23/347004523.db2.gz QZWPOQYKJHRCKJ-JTQLQIEISA-N 0 3 197.322 2.286 20 0 AEADHN CCN(Cc1ccoc1)[C@H](C)COC 608494711 347005144 /nfs/dbraw/zinc/00/51/44/347005144.db2.gz KGOHLLSBUCCUNE-SNVBAGLBSA-N 0 3 197.278 2.136 20 0 AEADHN CCN(Cc1ccoc1)[C@@H](C)COC 608494709 347005238 /nfs/dbraw/zinc/00/52/38/347005238.db2.gz KGOHLLSBUCCUNE-JTQLQIEISA-N 0 3 197.278 2.136 20 0 AEADHN CC[C@@H]1CN(CC2CCC2)C[C@H](C)O1 608497012 347005985 /nfs/dbraw/zinc/00/59/85/347005985.db2.gz QEEQGGJKLMZFQD-CMPLNLGQSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@H]1CN(CCC2CC2)C[C@H](C)O1 608497058 347006271 /nfs/dbraw/zinc/00/62/71/347006271.db2.gz XCPPRTHTYCHEKU-JQWIXIFHSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@H]1CN(CCC2CC2)C[C@@H](C)O1 608497059 347006286 /nfs/dbraw/zinc/00/62/86/347006286.db2.gz XCPPRTHTYCHEKU-PWSUYJOCSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@@H]1CN(CCC2CC2)C[C@@H](C)O1 608497061 347006417 /nfs/dbraw/zinc/00/64/17/347006417.db2.gz XCPPRTHTYCHEKU-ZYHUDNBSSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@H]1CN(CC2CCC2)C[C@@H](C)O1 608497016 347006483 /nfs/dbraw/zinc/00/64/83/347006483.db2.gz QEEQGGJKLMZFQD-PWSUYJOCSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@@H]1CN(CC2CCC2)C[C@@H](C)O1 608497017 347006496 /nfs/dbraw/zinc/00/64/96/347006496.db2.gz QEEQGGJKLMZFQD-ZYHUDNBSSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@H]1CN(CC2CCC2)C[C@H](C)O1 608497013 347006558 /nfs/dbraw/zinc/00/65/58/347006558.db2.gz QEEQGGJKLMZFQD-JQWIXIFHSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@@H]1CN(CCC2CC2)C[C@H](C)O1 608497057 347006572 /nfs/dbraw/zinc/00/65/72/347006572.db2.gz XCPPRTHTYCHEKU-CMPLNLGQSA-N 0 3 197.322 2.286 20 0 AEADHN CCN(C)Cc1ccccc1N(C)C 608498120 347007242 /nfs/dbraw/zinc/00/72/42/347007242.db2.gz ODSUPWFISRJNNB-UHFFFAOYSA-N 0 3 192.306 2.204 20 0 AEADHN CCCN1CCOC2(CCCCC2)C1 608498704 347008261 /nfs/dbraw/zinc/00/82/61/347008261.db2.gz ZPGSJIUALJDJOP-UHFFFAOYSA-N 0 3 197.322 2.432 20 0 AEADHN CN(CCC(F)(F)F)C1CCC1 608501032 347008837 /nfs/dbraw/zinc/00/88/37/347008837.db2.gz IXEQTQOPZBTMJB-UHFFFAOYSA-N 0 3 181.201 2.423 20 0 AEADHN CSCCN(C)Cc1ccccc1 608867342 347015418 /nfs/dbraw/zinc/01/54/18/347015418.db2.gz PHCKWOACJFVGKL-UHFFFAOYSA-N 0 3 195.331 2.481 20 0 AEADHN CSCCCN(C)Cc1ccco1 610211506 347021763 /nfs/dbraw/zinc/02/17/63/347021763.db2.gz VOKHHEWFEKPLLA-UHFFFAOYSA-N 0 3 199.319 2.465 20 0 AEADHN CSCCCN(C)Cc1ccoc1 610367830 347023622 /nfs/dbraw/zinc/02/36/22/347023622.db2.gz QGSDKGHSHDDUGU-UHFFFAOYSA-N 0 3 199.319 2.465 20 0 AEADHN CCCCN(C)Cc1cnc(C)nc1 613320142 347057658 /nfs/dbraw/zinc/05/76/58/347057658.db2.gz DQYSBGDUUJNDGH-UHFFFAOYSA-N 0 3 193.294 2.017 20 0 AEADHN COCCCN(C)Cc1cccs1 613367077 347058033 /nfs/dbraw/zinc/05/80/33/347058033.db2.gz OPNQZBYFZACUSC-UHFFFAOYSA-N 0 3 199.319 2.216 20 0 AEADHN COC[C@@H](C)N(C)Cc1ccccc1 613453698 347059771 /nfs/dbraw/zinc/05/97/71/347059771.db2.gz LCPXOUJPUCIALE-LLVKDONJSA-N 0 3 193.290 2.153 20 0 AEADHN CCCN(C)Cc1cnc(C)s1 613470325 347059922 /nfs/dbraw/zinc/05/99/22/347059922.db2.gz AUQLLFOLAJMDOC-UHFFFAOYSA-N 0 3 184.308 2.293 20 0 AEADHN Cc1noc(C)c1CN(C)CC1CC1 613475514 347060219 /nfs/dbraw/zinc/06/02/19/347060219.db2.gz BCUGBLYXDBWFGP-UHFFFAOYSA-N 0 3 194.278 2.133 20 0 AEADHN COC[C@H](C)N(C)Cc1ccccc1 613453699 347060270 /nfs/dbraw/zinc/06/02/70/347060270.db2.gz LCPXOUJPUCIALE-NSHDSACASA-N 0 3 193.290 2.153 20 0 AEADHN COc1ccccc1CN(C)C1CC1 613484695 347060987 /nfs/dbraw/zinc/06/09/87/347060987.db2.gz ZZKJAHBVJJTNOY-UHFFFAOYSA-N 0 3 191.274 2.289 20 0 AEADHN Cc1cc(CN(C)CCC(C)C)on1 613502765 347061522 /nfs/dbraw/zinc/06/15/22/347061522.db2.gz ZRXJHZGGCFWLJI-UHFFFAOYSA-N 0 3 196.294 2.461 20 0 AEADHN COC[C@H](C)N(C)Cc1cccs1 613764088 347063513 /nfs/dbraw/zinc/06/35/13/347063513.db2.gz SVYVAAKZIYWCJI-VIFPVBQESA-N 0 3 199.319 2.215 20 0 AEADHN COC[C@@H](C)N(C)Cc1cccs1 613764086 347063708 /nfs/dbraw/zinc/06/37/08/347063708.db2.gz SVYVAAKZIYWCJI-SECBINFHSA-N 0 3 199.319 2.215 20 0 AEADHN CCCN(Cc1cnn(C)c1)C(C)C 615103663 347076549 /nfs/dbraw/zinc/07/65/49/347076549.db2.gz YIBCYFZSKUSRHB-UHFFFAOYSA-N 0 3 195.310 2.041 20 0 AEADHN CC(C)N(Cc1cnn(C)c1)C(C)C 615350997 347078731 /nfs/dbraw/zinc/07/87/31/347078731.db2.gz WSORVZQGCBUVET-UHFFFAOYSA-N 0 3 195.310 2.039 20 0 AEADHN CCN(CC)[C@H](C)c1cccnc1 616008433 347089936 /nfs/dbraw/zinc/08/99/36/347089936.db2.gz HOIJZOQRQVISPR-SNVBAGLBSA-N 0 3 178.279 2.484 20 0 AEADHN CCN(CC)[C@@H](C)c1cccnc1 616008428 347090449 /nfs/dbraw/zinc/09/04/49/347090449.db2.gz HOIJZOQRQVISPR-JTQLQIEISA-N 0 3 178.279 2.484 20 0 AEADHN C[C@@H](c1cccnc1)N(C)CC1CC1 616014212 347090466 /nfs/dbraw/zinc/09/04/66/347090466.db2.gz TVXMDNAZEQKYBY-JTQLQIEISA-N 0 3 190.290 2.484 20 0 AEADHN C[C@H](c1cccnc1)N(C)CC1CC1 616014213 347090506 /nfs/dbraw/zinc/09/05/06/347090506.db2.gz TVXMDNAZEQKYBY-SNVBAGLBSA-N 0 3 190.290 2.484 20 0 AEADHN CC(C)CN(C)Cc1ccoc1 618446177 347189808 /nfs/dbraw/zinc/18/98/08/347189808.db2.gz HJICRVHUBAZENK-UHFFFAOYSA-N 0 3 167.252 2.367 20 0 AEADHN CCCN(C)Cc1ccoc1 618446178 347190003 /nfs/dbraw/zinc/19/00/03/347190003.db2.gz JNIXTPRMPFTGHY-UHFFFAOYSA-N 0 3 153.225 2.121 20 0 AEADHN CC(C)=CCN(C)C[C@@H]1CCCCO1 618448214 347190054 /nfs/dbraw/zinc/19/00/54/347190054.db2.gz UACAEFDNEMTYHW-LBPRGKRZSA-N 0 3 197.322 2.454 20 0 AEADHN CCOC1CCN(CC=C(C)C)CC1 618444274 347190112 /nfs/dbraw/zinc/19/01/12/347190112.db2.gz PLAXKADDCYDSEH-UHFFFAOYSA-N 0 3 197.322 2.454 20 0 AEADHN CC(C)=CCN(C)C[C@H]1CCCCO1 618448213 347190165 /nfs/dbraw/zinc/19/01/65/347190165.db2.gz UACAEFDNEMTYHW-GFCCVEGCSA-N 0 3 197.322 2.454 20 0 AEADHN CCCN(C)Cc1ccoc1C 618986928 347195949 /nfs/dbraw/zinc/19/59/49/347195949.db2.gz SKLHOOZTOBDEAS-UHFFFAOYSA-N 0 3 167.252 2.430 20 0 AEADHN Cc1ncc(CN(C)CC2CC2)s1 619724962 347205289 /nfs/dbraw/zinc/20/52/89/347205289.db2.gz CISVIFZUDXZRAT-UHFFFAOYSA-N 0 3 196.319 2.293 20 0 AEADHN CC1(C)COCCN1CC1CCCC1 620279220 347212170 /nfs/dbraw/zinc/21/21/70/347212170.db2.gz NFTVDINHVWZSJX-UHFFFAOYSA-N 0 3 197.322 2.287 20 0 AEADHN CC(C)=CCN1C[C@@H](C)OC(C)(C)C1 620368456 347213139 /nfs/dbraw/zinc/21/31/39/347213139.db2.gz YBHRMCJWARSXGC-LLVKDONJSA-N 0 3 197.322 2.452 20 0 AEADHN CC(C)=CCN1C[C@H](C)OC(C)(C)C1 620368457 347213253 /nfs/dbraw/zinc/21/32/53/347213253.db2.gz YBHRMCJWARSXGC-NSHDSACASA-N 0 3 197.322 2.452 20 0 AEADHN Cc1cc(CN(C)CC(C)C)on1 620937659 347221958 /nfs/dbraw/zinc/22/19/58/347221958.db2.gz MQEWKHVRVCXJQZ-UHFFFAOYSA-N 0 3 182.267 2.071 20 0 AEADHN Cc1cc(CN2CCC[C@@H]2C)ccn1 621260421 347224000 /nfs/dbraw/zinc/22/40/00/347224000.db2.gz DMQKEUBVKFDUNO-NSHDSACASA-N 0 3 190.290 2.374 20 0 AEADHN Cc1cc(CN2CCC[C@H]2C)ccn1 621260420 347224239 /nfs/dbraw/zinc/22/42/39/347224239.db2.gz DMQKEUBVKFDUNO-LLVKDONJSA-N 0 3 190.290 2.374 20 0 AEADHN CCCN(CC)Cc1cnc(C)nc1 621272017 347224708 /nfs/dbraw/zinc/22/47/08/347224708.db2.gz XGJDSEHRQSKJGZ-UHFFFAOYSA-N 0 3 193.294 2.017 20 0 AEADHN COCCCN(C)[C@H](C)c1ccco1 621277992 347224800 /nfs/dbraw/zinc/22/48/00/347224800.db2.gz SIAWOZWRSQYNPU-SNVBAGLBSA-N 0 3 197.278 2.309 20 0 AEADHN COCCCN(C)[C@@H](C)c1ccco1 621277991 347225035 /nfs/dbraw/zinc/22/50/35/347225035.db2.gz SIAWOZWRSQYNPU-JTQLQIEISA-N 0 3 197.278 2.309 20 0 AEADHN CCCN(CC)Cc1cc(C)no1 621271981 347225157 /nfs/dbraw/zinc/22/51/57/347225157.db2.gz BHGXJMSSIMKEJP-UHFFFAOYSA-N 0 3 182.267 2.215 20 0 AEADHN CCCN(C)[C@@H](C)c1cccnc1 621323344 347225922 /nfs/dbraw/zinc/22/59/22/347225922.db2.gz DUFPKGNJOFYNLM-JTQLQIEISA-N 0 3 178.279 2.484 20 0 AEADHN CCCN(C)[C@H](C)c1cccnc1 621323345 347226127 /nfs/dbraw/zinc/22/61/27/347226127.db2.gz DUFPKGNJOFYNLM-SNVBAGLBSA-N 0 3 178.279 2.484 20 0 AEADHN CC1CC(CNCc2nccs2)C1 621384046 347228281 /nfs/dbraw/zinc/22/82/81/347228281.db2.gz YZMQWKRTGAJHFR-UHFFFAOYSA-N 0 3 196.319 2.279 20 0 AEADHN CC1CC(CNCc2ccco2)C1 621383009 347228441 /nfs/dbraw/zinc/22/84/41/347228441.db2.gz NDBNIGLMHOCIMF-UHFFFAOYSA-N 0 3 179.263 2.415 20 0 AEADHN CC1CC(CNCc2cscn2)C1 621383415 347228515 /nfs/dbraw/zinc/22/85/15/347228515.db2.gz GBEJMHKQQOLTRZ-UHFFFAOYSA-N 0 3 196.319 2.279 20 0 AEADHN CC1CC(CNCc2ccccn2)C1 621383050 347228709 /nfs/dbraw/zinc/22/87/09/347228709.db2.gz OIOKWZPANREZLI-UHFFFAOYSA-N 0 3 190.290 2.217 20 0 AEADHN CN(Cc1ccno1)CC1CCCC1 621627587 347229439 /nfs/dbraw/zinc/22/94/39/347229439.db2.gz RHCZOOIPJMRQDM-UHFFFAOYSA-N 0 3 194.278 2.297 20 0 AEADHN CC[C@@H](C)N(C)Cc1nccnc1C 621712095 347230755 /nfs/dbraw/zinc/23/07/55/347230755.db2.gz RZMCZZHAHJIUPT-SECBINFHSA-N 0 3 193.294 2.015 20 0 AEADHN CC[C@H](C)N(C)Cc1nccnc1C 621712096 347230763 /nfs/dbraw/zinc/23/07/63/347230763.db2.gz RZMCZZHAHJIUPT-VIFPVBQESA-N 0 3 193.294 2.015 20 0 AEADHN CCCCN(C)Cc1nccnc1C 621709019 347230778 /nfs/dbraw/zinc/23/07/78/347230778.db2.gz IHVVSBFUPBGWSA-UHFFFAOYSA-N 0 3 193.294 2.017 20 0 AEADHN CCCN(CC)Cc1nccnc1C 621709597 347230792 /nfs/dbraw/zinc/23/07/92/347230792.db2.gz YNWJQRQJSMFKOE-UHFFFAOYSA-N 0 3 193.294 2.017 20 0 AEADHN Cc1nccnc1CN(C)C(C)(C)C 621731938 347231575 /nfs/dbraw/zinc/23/15/75/347231575.db2.gz GUGHOAMHKCKBPZ-UHFFFAOYSA-N 0 3 193.294 2.015 20 0 AEADHN CCN(CC=C(C)C)C[C@H]1CCCO1 622910062 347251288 /nfs/dbraw/zinc/25/12/88/347251288.db2.gz MSMYWSYAWQVGID-GFCCVEGCSA-N 0 3 197.322 2.454 20 0 AEADHN CCN(CC=C(C)C)C[C@@H]1CCCO1 622910063 347251398 /nfs/dbraw/zinc/25/13/98/347251398.db2.gz MSMYWSYAWQVGID-LBPRGKRZSA-N 0 3 197.322 2.454 20 0 AEADHN Cc1cc(CN[C@@H]2CC2(C)C)ccn1 623371761 347256324 /nfs/dbraw/zinc/25/63/24/347256324.db2.gz QGDCUKCMAUAIAY-LLVKDONJSA-N 0 3 190.290 2.278 20 0 AEADHN C1=CCC(CNCc2nccs2)C1 623613741 347259341 /nfs/dbraw/zinc/25/93/41/347259341.db2.gz RNBNZIJJELMUDQ-UHFFFAOYSA-N 0 3 194.303 2.199 20 0 AEADHN CO[C@H]1C[C@H](NCc2ccsc2)C1 623806847 347264985 /nfs/dbraw/zinc/26/49/85/347264985.db2.gz ILRGTOORGQYYMC-MGCOHNPYSA-N 0 3 197.303 2.015 20 0 AEADHN CCC[C@H](C)N(C)Cc1cnn(C)c1 624188719 347271938 /nfs/dbraw/zinc/27/19/38/347271938.db2.gz WPVNOZSAUGSELP-JTQLQIEISA-N 0 3 195.310 2.041 20 0 AEADHN CCC[C@@H](C)N(C)Cc1cnn(C)c1 624188720 347271998 /nfs/dbraw/zinc/27/19/98/347271998.db2.gz WPVNOZSAUGSELP-SNVBAGLBSA-N 0 3 195.310 2.041 20 0 AEADHN CO[C@H]1C[C@H](N[C@@H](C)c2ccco2)C1 624297348 347275999 /nfs/dbraw/zinc/27/59/99/347275999.db2.gz XDLXTHRMIOVPDZ-GUBZILKMSA-N 0 3 195.262 2.108 20 0 AEADHN CO[C@H]1C[C@H](N[C@H](C)c2ccco2)C1 624297349 347276055 /nfs/dbraw/zinc/27/60/55/347276055.db2.gz XDLXTHRMIOVPDZ-OPRDCNLKSA-N 0 3 195.262 2.108 20 0 AEADHN CO[C@H]1C[C@H](N[C@@H](C)c2ccoc2)C1 624298207 347276258 /nfs/dbraw/zinc/27/62/58/347276258.db2.gz NMFPXNKFWSCGCJ-LSJOCFKGSA-N 0 3 195.262 2.108 20 0 AEADHN CO[C@H]1C[C@H](N[C@H](C)c2ccoc2)C1 624298206 347276284 /nfs/dbraw/zinc/27/62/84/347276284.db2.gz NMFPXNKFWSCGCJ-FBIMIBRVSA-N 0 3 195.262 2.108 20 0 AEADHN c1cc(CN(C2CC2)C2CC2)ccn1 625838843 347292661 /nfs/dbraw/zinc/29/26/61/347292661.db2.gz MFDCSPFYYZXLNU-UHFFFAOYSA-N 0 3 188.274 2.208 20 0 AEADHN CCCCOCCN(C1CC1)C1CC1 625837866 347292792 /nfs/dbraw/zinc/29/27/92/347292792.db2.gz OMUIMSCZQFLCCL-UHFFFAOYSA-N 0 3 197.322 2.430 20 0 AEADHN CC(C)OCCN(C1CC1)C1CC1 625835264 347292876 /nfs/dbraw/zinc/29/28/76/347292876.db2.gz PNJFHJOBKFYYIE-UHFFFAOYSA-N 0 3 183.295 2.038 20 0 AEADHN C1CC[C@H](CN(C2CC2)C2CC2)OC1 625835685 347292986 /nfs/dbraw/zinc/29/29/86/347292986.db2.gz UWWHROKEAQDPFA-GFCCVEGCSA-N 0 3 195.306 2.182 20 0 AEADHN C(CN(C1CC1)C1CC1)OCC1CC1 625839339 347293027 /nfs/dbraw/zinc/29/30/27/347293027.db2.gz XNIDNOULANXZAP-UHFFFAOYSA-N 0 3 195.306 2.040 20 0 AEADHN CC(C)(C)OCCN(C1CC1)C1CC1 625837433 347293126 /nfs/dbraw/zinc/29/31/26/347293126.db2.gz KJAPHEYWJNHXPY-UHFFFAOYSA-N 0 3 197.322 2.428 20 0 AEADHN CC(C)CCN1CCO[C@@H]2CCC[C@@H]21 625850576 347293584 /nfs/dbraw/zinc/29/35/84/347293584.db2.gz YKMFWAUKQVTTKQ-NWDGAFQWSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@@H]1CC[C@H](CN(C2CC2)C2CC2)O1 625843078 347293614 /nfs/dbraw/zinc/29/36/14/347293614.db2.gz PWESRGGWDCJMFZ-BXKDBHETSA-N 0 3 195.306 2.181 20 0 AEADHN CC[C@@H](C)CN1CCO[C@@H]2CCC[C@@H]21 625851040 347293721 /nfs/dbraw/zinc/29/37/21/347293721.db2.gz LCFARKRIEBMEJB-GRYCIOLGSA-N 0 3 197.322 2.286 20 0 AEADHN CC(C)COCCN(C1CC1)C1CC1 625842310 347293732 /nfs/dbraw/zinc/29/37/32/347293732.db2.gz ZZWRAWCXQTZAJH-UHFFFAOYSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1CC[C@@H](CN(C2CC2)C2CC2)O1 625843081 347293782 /nfs/dbraw/zinc/29/37/82/347293782.db2.gz PWESRGGWDCJMFZ-CABZTGNLSA-N 0 3 195.306 2.181 20 0 AEADHN CC[C@H](C)CN1CCO[C@@H]2CCC[C@@H]21 625851041 347293879 /nfs/dbraw/zinc/29/38/79/347293879.db2.gz LCFARKRIEBMEJB-SDDRHHMPSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1CC[C@H](CN(C2CC2)C2CC2)O1 625843083 347293889 /nfs/dbraw/zinc/29/38/89/347293889.db2.gz PWESRGGWDCJMFZ-JOYOIKCWSA-N 0 3 195.306 2.181 20 0 AEADHN C[C@@H]1CC[C@@H](CN(C2CC2)C2CC2)O1 625843085 347294058 /nfs/dbraw/zinc/29/40/58/347294058.db2.gz PWESRGGWDCJMFZ-SKDRFNHKSA-N 0 3 195.306 2.181 20 0 AEADHN CCCN1CCc2c(O)cccc2C1 626026635 347295556 /nfs/dbraw/zinc/29/55/56/347295556.db2.gz SFDWHVAQLSZBRA-UHFFFAOYSA-N 0 3 191.274 2.160 20 0 AEADHN CCCNCc1cnc(C2CC2)o1 628199762 347309332 /nfs/dbraw/zinc/30/93/32/347309332.db2.gz HCWVFEBYVAATJR-UHFFFAOYSA-N 0 3 180.251 2.052 20 0 AEADHN CCCCNCc1cnc(C2CC2)o1 628201190 347309551 /nfs/dbraw/zinc/30/95/51/347309551.db2.gz VTJCRHPOTRCYPO-UHFFFAOYSA-N 0 3 194.278 2.442 20 0 AEADHN Cc1nc(C)c(CN[C@H]2CC2(C)C)o1 628208037 347310153 /nfs/dbraw/zinc/31/01/53/347310153.db2.gz VQZZDJJTUHLEOP-JTQLQIEISA-N 0 3 194.278 2.180 20 0 AEADHN Cc1nc(C)c(CN[C@@H]2CC2(C)C)o1 628208038 347310421 /nfs/dbraw/zinc/31/04/21/347310421.db2.gz VQZZDJJTUHLEOP-SNVBAGLBSA-N 0 3 194.278 2.180 20 0 AEADHN CC(C)(C)NCc1cnc(C2CC2)o1 628232751 347312726 /nfs/dbraw/zinc/31/27/26/347312726.db2.gz MGXBOAUPAIKAHV-UHFFFAOYSA-N 0 3 194.278 2.440 20 0 AEADHN FCCCNCc1cnc(C2CC2)o1 628228496 347313145 /nfs/dbraw/zinc/31/31/45/347313145.db2.gz QEKANAUNPAHPKD-UHFFFAOYSA-N 0 3 198.241 2.001 20 0 AEADHN C[C@H](CF)NC[C@]1(C)CCCS1 628281890 347313623 /nfs/dbraw/zinc/31/36/23/347313623.db2.gz DUHLJXOFJAFGKD-BDAKNGLRSA-N 0 3 191.315 2.220 20 0 AEADHN C[C@@H](CF)NC[C@@]1(C)CCCS1 628281891 347313709 /nfs/dbraw/zinc/31/37/09/347313709.db2.gz DUHLJXOFJAFGKD-DTWKUNHWSA-N 0 3 191.315 2.220 20 0 AEADHN C[C@H](CF)NC[C@@]1(C)CCCS1 628281893 347313908 /nfs/dbraw/zinc/31/39/08/347313908.db2.gz DUHLJXOFJAFGKD-RKDXNWHRSA-N 0 3 191.315 2.220 20 0 AEADHN C[C@@H](CF)NC[C@]1(C)CCCS1 628281892 347314118 /nfs/dbraw/zinc/31/41/18/347314118.db2.gz DUHLJXOFJAFGKD-IUCAKERBSA-N 0 3 191.315 2.220 20 0 AEADHN Cc1ncc(CN[C@@]23CCC[C@@H]2C3)o1 628336417 347314583 /nfs/dbraw/zinc/31/45/83/347314583.db2.gz HMQHTRRZMGRBFI-MWLCHTKSSA-N 0 3 192.262 2.015 20 0 AEADHN Cc1ncc(CN[C@]23CCC[C@H]2C3)o1 628336418 347314843 /nfs/dbraw/zinc/31/48/43/347314843.db2.gz HMQHTRRZMGRBFI-ONGXEEELSA-N 0 3 192.262 2.015 20 0 AEADHN Fc1cccc(CN2C[C@H]3C[C@H]3C2)c1 628407821 347316317 /nfs/dbraw/zinc/31/63/17/347316317.db2.gz NOVCSJKIABNPID-PHIMTYICSA-N 0 3 191.249 2.277 20 0 AEADHN CCc1ccc(CN2C[C@H]3C[C@H]3C2)o1 628408888 347316865 /nfs/dbraw/zinc/31/68/65/347316865.db2.gz IMMZERPICCQMKL-AOOOYVTPSA-N 0 3 191.274 2.294 20 0 AEADHN Cc1ccoc1CN1C[C@H]2C[C@H]2C1 628408915 347317033 /nfs/dbraw/zinc/31/70/33/347317033.db2.gz JDNOLYROJIIQKI-AOOOYVTPSA-N 0 3 177.247 2.040 20 0 AEADHN Cc1occc1CN1C[C@H]2C[C@H]2C1 628410855 347317524 /nfs/dbraw/zinc/31/75/24/347317524.db2.gz UBFLDNRJTBSWBI-PHIMTYICSA-N 0 3 177.247 2.040 20 0 AEADHN Cc1cc(CN[C@]23CCC[C@H]2C3)on1 630072895 347359191 /nfs/dbraw/zinc/35/91/91/347359191.db2.gz LWGRBOHBSXSIQH-ONGXEEELSA-N 0 3 192.262 2.015 20 0 AEADHN c1cc(CN[C@]23CCC[C@H]2C3)sn1 630073452 347359207 /nfs/dbraw/zinc/35/92/07/347359207.db2.gz UYIYCDQNQSZYEX-WPRPVWTQSA-N 0 3 194.303 2.175 20 0 AEADHN c1cc(CN[C@@]23CCC[C@@H]2C3)sn1 630073443 347359429 /nfs/dbraw/zinc/35/94/29/347359429.db2.gz UYIYCDQNQSZYEX-PSASIEDQSA-N 0 3 194.303 2.175 20 0 AEADHN Cc1cc(CN[C@@]23CCC[C@@H]2C3)on1 630072894 347359512 /nfs/dbraw/zinc/35/95/12/347359512.db2.gz LWGRBOHBSXSIQH-MWLCHTKSSA-N 0 3 192.262 2.015 20 0 AEADHN CC1(NCc2ccon2)CCCC1 634959205 347429281 /nfs/dbraw/zinc/42/92/81/347429281.db2.gz KQLBMBCDRLDSKK-UHFFFAOYSA-N 0 3 180.251 2.097 20 0 AEADHN CC1(NCc2ccon2)CCCCC1 634959527 347429756 /nfs/dbraw/zinc/42/97/56/347429756.db2.gz UHGLMUZMBSUUIM-UHFFFAOYSA-N 0 3 194.278 2.487 20 0 AEADHN C[C@H]1CC[C@H](NCc2ccon2)CC1 634960943 347430167 /nfs/dbraw/zinc/43/01/67/347430167.db2.gz GSXIQUCIMWWFAQ-MGCOHNPYSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@H]1CCC[C@@H]1CNCc1ccon1 634979540 347430554 /nfs/dbraw/zinc/43/05/54/347430554.db2.gz HJQGBCDXDLGXPI-VHSXEESVSA-N 0 3 194.278 2.200 20 0 AEADHN C[C@@H]1CCC[C@H]1CNCc1ccon1 634979541 347430732 /nfs/dbraw/zinc/43/07/32/347430732.db2.gz HJQGBCDXDLGXPI-ZJUUUORDSA-N 0 3 194.278 2.200 20 0 AEADHN C[C@@H]1CC[C@@H](CNCc2ccon2)C1 634979726 347430758 /nfs/dbraw/zinc/43/07/58/347430758.db2.gz MOLYLTHOYDBKFU-NXEZZACHSA-N 0 3 194.278 2.200 20 0 AEADHN C[C@H]1CCC[C@H]1CNCc1ccon1 634979539 347430895 /nfs/dbraw/zinc/43/08/95/347430895.db2.gz HJQGBCDXDLGXPI-UWVGGRQHSA-N 0 3 194.278 2.200 20 0 AEADHN C[C@@H]1CC[C@H](CNCc2ccon2)C1 634979729 347431183 /nfs/dbraw/zinc/43/11/83/347431183.db2.gz MOLYLTHOYDBKFU-ZJUUUORDSA-N 0 3 194.278 2.200 20 0 AEADHN C[C@@H]1CCC[C@@H]1CNCc1ccon1 634979538 347431192 /nfs/dbraw/zinc/43/11/92/347431192.db2.gz HJQGBCDXDLGXPI-NXEZZACHSA-N 0 3 194.278 2.200 20 0 AEADHN CC(C)C(C)(C)CNCc1ccon1 634977610 347431380 /nfs/dbraw/zinc/43/13/80/347431380.db2.gz FYTCZIPWFVORTC-UHFFFAOYSA-N 0 3 196.294 2.446 20 0 AEADHN C[C@H]1CC[C@@H](CNCc2ccon2)C1 634979728 347431390 /nfs/dbraw/zinc/43/13/90/347431390.db2.gz MOLYLTHOYDBKFU-VHSXEESVSA-N 0 3 194.278 2.200 20 0 AEADHN C[C@@]1(NCc2ccon2)CC=CCC1 634984330 347431935 /nfs/dbraw/zinc/43/19/35/347431935.db2.gz OWIUSZXSCIECLE-LLVKDONJSA-N 0 3 192.262 2.263 20 0 AEADHN C[C@]1(NCc2ccon2)CC=CCC1 634984331 347432047 /nfs/dbraw/zinc/43/20/47/347432047.db2.gz OWIUSZXSCIECLE-NSHDSACASA-N 0 3 192.262 2.263 20 0 AEADHN Cc1cc(CN(C)[C@H](C)C2CC2)on1 636019632 347453532 /nfs/dbraw/zinc/45/35/32/347453532.db2.gz YGFDMRZPAMNBEZ-SECBINFHSA-N 0 3 194.278 2.213 20 0 AEADHN Cc1cc(CN(C)[C@@H](C)C2CC2)on1 636019633 347454037 /nfs/dbraw/zinc/45/40/37/347454037.db2.gz YGFDMRZPAMNBEZ-VIFPVBQESA-N 0 3 194.278 2.213 20 0 AEADHN C[C@H]1CCCN(Cc2ccns2)C1 637832795 347465020 /nfs/dbraw/zinc/46/50/20/347465020.db2.gz NECPPVDUJVFWKS-VIFPVBQESA-N 0 3 196.319 2.375 20 0 AEADHN C[C@@H]1CCCN(Cc2ccns2)C1 637832794 347465080 /nfs/dbraw/zinc/46/50/80/347465080.db2.gz NECPPVDUJVFWKS-SECBINFHSA-N 0 3 196.319 2.375 20 0 AEADHN Cc1cc(CN2CCCC2)sn1 637830628 347465286 /nfs/dbraw/zinc/46/52/86/347465286.db2.gz BMAPCUYNANSWIY-UHFFFAOYSA-N 0 3 182.292 2.047 20 0 AEADHN C[C@@H](C1CC1)N(C)Cc1ccns1 637920712 347469390 /nfs/dbraw/zinc/46/93/90/347469390.db2.gz PGJIQIUWBLHSEX-QMMMGPOBSA-N 0 3 196.319 2.373 20 0 AEADHN CC[C@@H](C)N(C)Cc1ccns1 637912865 347469413 /nfs/dbraw/zinc/46/94/13/347469413.db2.gz ZYYDIHQIURSTFT-MRVPVSSYSA-N 0 3 184.308 2.373 20 0 AEADHN C[C@H](C1CC1)N(C)Cc1ccns1 637920711 347469431 /nfs/dbraw/zinc/46/94/31/347469431.db2.gz PGJIQIUWBLHSEX-MRVPVSSYSA-N 0 3 196.319 2.373 20 0 AEADHN CC[C@H](C)N(C)Cc1ccns1 637912872 347469927 /nfs/dbraw/zinc/46/99/27/347469927.db2.gz ZYYDIHQIURSTFT-QMMMGPOBSA-N 0 3 184.308 2.373 20 0 AEADHN C[C@@H]1CCCN1Cc1ccns1 638070190 347473648 /nfs/dbraw/zinc/47/36/48/347473648.db2.gz WLAXCYJTZLHGQO-MRVPVSSYSA-N 0 3 182.292 2.127 20 0 AEADHN C[C@@H]1C[C@@H](C)N(Cc2ccns2)C1 638112634 347474349 /nfs/dbraw/zinc/47/43/49/347474349.db2.gz ZWCCBLRCAUNAAE-RKDXNWHRSA-N 0 3 196.319 2.373 20 0 AEADHN C[C@H]1CN(Cc2ccns2)C[C@@H]1C 638093400 347474354 /nfs/dbraw/zinc/47/43/54/347474354.db2.gz KPPTVKDMXYWTSJ-IUCAKERBSA-N 0 3 196.319 2.231 20 0 AEADHN C[C@H]1C[C@H](C)N(Cc2ccns2)C1 638112633 347474413 /nfs/dbraw/zinc/47/44/13/347474413.db2.gz ZWCCBLRCAUNAAE-IUCAKERBSA-N 0 3 196.319 2.373 20 0 AEADHN C[C@@H]1CN(Cc2ccns2)C[C@H]1C 638093401 347474445 /nfs/dbraw/zinc/47/44/45/347474445.db2.gz KPPTVKDMXYWTSJ-RKDXNWHRSA-N 0 3 196.319 2.231 20 0 AEADHN C[C@H]1C[C@@H](C)N(Cc2ccns2)C1 638112632 347474680 /nfs/dbraw/zinc/47/46/80/347474680.db2.gz ZWCCBLRCAUNAAE-DTWKUNHWSA-N 0 3 196.319 2.373 20 0 AEADHN C[C@H]1C[C@@H](C)CN1Cc1ccns1 638112631 347474692 /nfs/dbraw/zinc/47/46/92/347474692.db2.gz ZWCCBLRCAUNAAE-BDAKNGLRSA-N 0 3 196.319 2.373 20 0 AEADHN C[C@@H]1CN(Cc2ccns2)C[C@@H]1C 638093399 347474841 /nfs/dbraw/zinc/47/48/41/347474841.db2.gz KPPTVKDMXYWTSJ-DTORHVGOSA-N 0 3 196.319 2.231 20 0 AEADHN C[C@H]1[C@H](C)CCN1Cc1ccns1 638162370 347475297 /nfs/dbraw/zinc/47/52/97/347475297.db2.gz GPUIBQOTBMGEOC-BDAKNGLRSA-N 0 3 196.319 2.373 20 0 AEADHN CC[C@@H]1CCN(Cc2ccns2)C1 638170050 347475496 /nfs/dbraw/zinc/47/54/96/347475496.db2.gz GZVVAPHAIASERO-SECBINFHSA-N 0 3 196.319 2.375 20 0 AEADHN C[C@H]1CCN(Cc2ccns2)[C@H]1C 638162372 347475605 /nfs/dbraw/zinc/47/56/05/347475605.db2.gz GPUIBQOTBMGEOC-IUCAKERBSA-N 0 3 196.319 2.373 20 0 AEADHN C[C@@H]1CCN(Cc2ccns2)[C@@H]1C 638162373 347475637 /nfs/dbraw/zinc/47/56/37/347475637.db2.gz GPUIBQOTBMGEOC-RKDXNWHRSA-N 0 3 196.319 2.373 20 0 AEADHN CC[C@H]1CCN(Cc2ccns2)C1 638170055 347475748 /nfs/dbraw/zinc/47/57/48/347475748.db2.gz GZVVAPHAIASERO-VIFPVBQESA-N 0 3 196.319 2.375 20 0 AEADHN C[C@H]1CCN(Cc2ccns2)[C@@H]1C 638162371 347475766 /nfs/dbraw/zinc/47/57/66/347475766.db2.gz GPUIBQOTBMGEOC-DTWKUNHWSA-N 0 3 196.319 2.373 20 0 AEADHN Cc1ccc(CCNCCF)cc1 639133012 347502698 /nfs/dbraw/zinc/50/26/98/347502698.db2.gz GKWOGXWBBMVQKA-UHFFFAOYSA-N 0 3 181.254 2.097 20 0 AEADHN C[C@H](CF)N[C@H]1CCC12CCC2 639182907 347504301 /nfs/dbraw/zinc/50/43/01/347504301.db2.gz MGJMQHLQCGMZNJ-BDAKNGLRSA-N 0 3 171.259 2.267 20 0 AEADHN Cc1ccc(CCN[C@@H](C)CF)cc1 639183002 347504606 /nfs/dbraw/zinc/50/46/06/347504606.db2.gz NXEYIPMKUSTUNZ-NSHDSACASA-N 0 3 195.281 2.485 20 0 AEADHN C[C@H](CF)N[C@@H]1CCC12CCC2 639182910 347504645 /nfs/dbraw/zinc/50/46/45/347504645.db2.gz MGJMQHLQCGMZNJ-RKDXNWHRSA-N 0 3 171.259 2.267 20 0 AEADHN Cc1ccc(CCN[C@H](C)CF)cc1 639182996 347504695 /nfs/dbraw/zinc/50/46/95/347504695.db2.gz NXEYIPMKUSTUNZ-LLVKDONJSA-N 0 3 195.281 2.485 20 0 AEADHN C[C@@H](CF)N[C@H]1CCC12CCC2 639182909 347504727 /nfs/dbraw/zinc/50/47/27/347504727.db2.gz MGJMQHLQCGMZNJ-IUCAKERBSA-N 0 3 171.259 2.267 20 0 AEADHN C[C@@H](CF)N[C@@H]1CCC12CCC2 639182908 347504785 /nfs/dbraw/zinc/50/47/85/347504785.db2.gz MGJMQHLQCGMZNJ-DTWKUNHWSA-N 0 3 171.259 2.267 20 0 AEADHN CC[C@@H]1CC[C@H]1NCc1conc1C 639228929 347507071 /nfs/dbraw/zinc/50/70/71/347507071.db2.gz XIMOBIOAPCYKFI-MWLCHTKSSA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@@H]1CC[C@@H]1NCc1conc1C 639228927 347507111 /nfs/dbraw/zinc/50/71/11/347507111.db2.gz XIMOBIOAPCYKFI-KOLCDFICSA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@H]1CC[C@H]1NCc1conc1C 639228926 347507148 /nfs/dbraw/zinc/50/71/48/347507148.db2.gz XIMOBIOAPCYKFI-GXSJLCMTSA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@H]1CC[C@@H]1NCc1conc1C 639228930 347507256 /nfs/dbraw/zinc/50/72/56/347507256.db2.gz XIMOBIOAPCYKFI-ONGXEEELSA-N 0 3 194.278 2.261 20 0 AEADHN CC(C)(F)CNCc1ccc(O)cc1 639358275 347513628 /nfs/dbraw/zinc/51/36/28/347513628.db2.gz HDCQPDGHOGGWQV-UHFFFAOYSA-N 0 3 197.253 2.230 20 0 AEADHN c1ccc(C2CN(CC3CC3)C2)cc1 639361688 347513794 /nfs/dbraw/zinc/51/37/94/347513794.db2.gz NSBVSZJJFLNWOO-UHFFFAOYSA-N 0 3 187.286 2.496 20 0 AEADHN C[C@H]1CCCC[C@H]1CNC1(C)COC1 639380184 347514300 /nfs/dbraw/zinc/51/43/00/347514300.db2.gz BKPWPUNBGCVJJC-QWRGUYRKSA-N 0 3 197.322 2.191 20 0 AEADHN C[C@@H]1CCCC[C@@H]1CNC1(C)COC1 639380182 347514378 /nfs/dbraw/zinc/51/43/78/347514378.db2.gz BKPWPUNBGCVJJC-GHMZBOCLSA-N 0 3 197.322 2.191 20 0 AEADHN CC(C)C[C@H](C)CNC1(C)COC1 639380807 347514391 /nfs/dbraw/zinc/51/43/91/347514391.db2.gz KPWAPEGYPODHDH-JTQLQIEISA-N 0 3 185.311 2.047 20 0 AEADHN C[C@@H]1CCCC[C@H]1CNC1(C)COC1 639380183 347514433 /nfs/dbraw/zinc/51/44/33/347514433.db2.gz BKPWPUNBGCVJJC-MNOVXSKESA-N 0 3 197.322 2.191 20 0 AEADHN CC(C)C[C@@H](C)CNC1(C)COC1 639380810 347514445 /nfs/dbraw/zinc/51/44/45/347514445.db2.gz KPWAPEGYPODHDH-SNVBAGLBSA-N 0 3 185.311 2.047 20 0 AEADHN CC1(NCCC2CCCCC2)COC1 639380634 347514525 /nfs/dbraw/zinc/51/45/25/347514525.db2.gz HLVOJAAODRLSMS-UHFFFAOYSA-N 0 3 197.322 2.335 20 0 AEADHN C[C@H]1CCCC[C@@H]1CNC1(C)COC1 639380185 347514590 /nfs/dbraw/zinc/51/45/90/347514590.db2.gz BKPWPUNBGCVJJC-WDEREUQCSA-N 0 3 197.322 2.191 20 0 AEADHN C[C@@H]1CCC[C@H](CNC2(C)COC2)C1 639381596 347515287 /nfs/dbraw/zinc/51/52/87/347515287.db2.gz YSAMPMKYEFRPIO-MNOVXSKESA-N 0 3 197.322 2.191 20 0 AEADHN C[C@@H]1CCC[C@@H](CNC2(C)COC2)C1 639381595 347515366 /nfs/dbraw/zinc/51/53/66/347515366.db2.gz YSAMPMKYEFRPIO-GHMZBOCLSA-N 0 3 197.322 2.191 20 0 AEADHN C[C@H](CNC1(C)COC1)C(C)(C)C 639381624 347515413 /nfs/dbraw/zinc/51/54/13/347515413.db2.gz ZCSCACPXNQCIEE-SECBINFHSA-N 0 3 185.311 2.047 20 0 AEADHN C[C@H]1CCC[C@@H](CNC2(C)COC2)C1 639381598 347515459 /nfs/dbraw/zinc/51/54/59/347515459.db2.gz YSAMPMKYEFRPIO-WDEREUQCSA-N 0 3 197.322 2.191 20 0 AEADHN C[C@@H](CNC1(C)COC1)C(C)(C)C 639381632 347515520 /nfs/dbraw/zinc/51/55/20/347515520.db2.gz ZCSCACPXNQCIEE-VIFPVBQESA-N 0 3 185.311 2.047 20 0 AEADHN C[C@H]1CCC[C@H](CNC2(C)COC2)C1 639381597 347515553 /nfs/dbraw/zinc/51/55/53/347515553.db2.gz YSAMPMKYEFRPIO-QWRGUYRKSA-N 0 3 197.322 2.191 20 0 AEADHN CC[C@@H](C)[C@@H](CN1CC(C)(C)C1)OC 639393548 347515733 /nfs/dbraw/zinc/51/57/33/347515733.db2.gz MYLHFFOCDFZEOC-GHMZBOCLSA-N 0 3 199.338 2.389 20 0 AEADHN CO[C@H](CC(C)C)CN1CC(C)(C)C1 639392789 347515848 /nfs/dbraw/zinc/51/58/48/347515848.db2.gz ACBBSKNSZJFIFO-LLVKDONJSA-N 0 3 199.338 2.389 20 0 AEADHN CC[C@@H](C)[C@H](CN1CC(C)(C)C1)OC 639393549 347515971 /nfs/dbraw/zinc/51/59/71/347515971.db2.gz MYLHFFOCDFZEOC-MNOVXSKESA-N 0 3 199.338 2.389 20 0 AEADHN CC[C@H](C)[C@@H](CN1CC(C)(C)C1)OC 639393551 347516018 /nfs/dbraw/zinc/51/60/18/347516018.db2.gz MYLHFFOCDFZEOC-WDEREUQCSA-N 0 3 199.338 2.389 20 0 AEADHN CO[C@@H](CC(C)C)CN1CC(C)(C)C1 639392799 347516126 /nfs/dbraw/zinc/51/61/26/347516126.db2.gz ACBBSKNSZJFIFO-NSHDSACASA-N 0 3 199.338 2.389 20 0 AEADHN CC[C@H](C)[C@H](CN1CC(C)(C)C1)OC 639393550 347516187 /nfs/dbraw/zinc/51/61/87/347516187.db2.gz MYLHFFOCDFZEOC-QWRGUYRKSA-N 0 3 199.338 2.389 20 0 AEADHN CC(=O)CN(C1CCCCC1)C1CC1 639452461 347518566 /nfs/dbraw/zinc/51/85/66/347518566.db2.gz PWLCOWPIKLGJKS-UHFFFAOYSA-N 0 3 195.306 2.373 20 0 AEADHN CC[C@H](C)[C@H](C)N(CC(C)=O)C1CC1 639477038 347519377 /nfs/dbraw/zinc/51/93/77/347519377.db2.gz PAUBHKDRLXJOPU-ONGXEEELSA-N 0 3 197.322 2.474 20 0 AEADHN CC[C@@H](C)[C@@H](C)N(CC(C)=O)C1CC1 639477037 347519727 /nfs/dbraw/zinc/51/97/27/347519727.db2.gz PAUBHKDRLXJOPU-MWLCHTKSSA-N 0 3 197.322 2.474 20 0 AEADHN CCC(CC)N(CC(C)=O)C1CC1 639471724 347519829 /nfs/dbraw/zinc/51/98/29/347519829.db2.gz ZDZSOZRCHUZVMX-UHFFFAOYSA-N 0 3 183.295 2.228 20 0 AEADHN CC[C@@H](C)[C@H](C)N(CC(C)=O)C1CC1 639477036 347519855 /nfs/dbraw/zinc/51/98/55/347519855.db2.gz PAUBHKDRLXJOPU-KOLCDFICSA-N 0 3 197.322 2.474 20 0 AEADHN CC[C@H](C)[C@@H](C)N(CC(C)=O)C1CC1 639477035 347519859 /nfs/dbraw/zinc/51/98/59/347519859.db2.gz PAUBHKDRLXJOPU-GXSJLCMTSA-N 0 3 197.322 2.474 20 0 AEADHN CC[C@H](C)[C@H]1CCCCN1CC(C)=O 639496322 347520218 /nfs/dbraw/zinc/52/02/18/347520218.db2.gz UWBVRIUIAVLOFI-CMPLNLGQSA-N 0 3 197.322 2.476 20 0 AEADHN CC[C@@H](C)[C@@H]1CCCCN1CC(C)=O 639496326 347520228 /nfs/dbraw/zinc/52/02/28/347520228.db2.gz UWBVRIUIAVLOFI-PWSUYJOCSA-N 0 3 197.322 2.476 20 0 AEADHN CC[C@@H](C)[C@H]1CCCCN1CC(C)=O 639496328 347520239 /nfs/dbraw/zinc/52/02/39/347520239.db2.gz UWBVRIUIAVLOFI-ZYHUDNBSSA-N 0 3 197.322 2.476 20 0 AEADHN CC[C@H](C)[C@@H]1CCCCN1CC(C)=O 639496324 347520413 /nfs/dbraw/zinc/52/04/13/347520413.db2.gz UWBVRIUIAVLOFI-JQWIXIFHSA-N 0 3 197.322 2.476 20 0 AEADHN CCC[C@@H](C)[C@H]1CCCN1CC(C)=O 639519638 347522162 /nfs/dbraw/zinc/52/21/62/347522162.db2.gz JUXAOFBLRLCCBZ-ZYHUDNBSSA-N 0 3 197.322 2.476 20 0 AEADHN CCC[C@@H](C)[C@@H]1CCCN1CC(C)=O 639519637 347522166 /nfs/dbraw/zinc/52/21/66/347522166.db2.gz JUXAOFBLRLCCBZ-PWSUYJOCSA-N 0 3 197.322 2.476 20 0 AEADHN CCC[C@H](C)[C@@H]1CCCN1CC(C)=O 639519635 347522219 /nfs/dbraw/zinc/52/22/19/347522219.db2.gz JUXAOFBLRLCCBZ-JQWIXIFHSA-N 0 3 197.322 2.476 20 0 AEADHN CC(=O)CN1CCC[C@@H](CC(C)C)C1 639517327 347522374 /nfs/dbraw/zinc/52/23/74/347522374.db2.gz SZJAMIRJNLBAHY-LBPRGKRZSA-N 0 3 197.322 2.334 20 0 AEADHN CC(=O)CN1CCC[C@H]1CCC(C)C 639520424 347522527 /nfs/dbraw/zinc/52/25/27/347522527.db2.gz QEDGATIIDGHIBO-LBPRGKRZSA-N 0 3 197.322 2.476 20 0 AEADHN CCC[C@H]1CCCN(CC(C)=O)C1 639516534 347522655 /nfs/dbraw/zinc/52/26/55/347522655.db2.gz VOUMQRAXUXFBOZ-NSHDSACASA-N 0 3 183.295 2.088 20 0 AEADHN CC(=O)CN(C(C)C)C1CCCC1 639528638 347522668 /nfs/dbraw/zinc/52/26/68/347522668.db2.gz YIPJSJZHKHNYDT-UHFFFAOYSA-N 0 3 183.295 2.228 20 0 AEADHN CC(=O)CN1CCC[C@@H]1CCC(C)C 639520423 347522718 /nfs/dbraw/zinc/52/27/18/347522718.db2.gz QEDGATIIDGHIBO-GFCCVEGCSA-N 0 3 197.322 2.476 20 0 AEADHN CC(=O)CN1CCC[C@H](CC(C)C)C1 639517325 347522764 /nfs/dbraw/zinc/52/27/64/347522764.db2.gz SZJAMIRJNLBAHY-GFCCVEGCSA-N 0 3 197.322 2.334 20 0 AEADHN CC(=O)CN1CCCC[C@@H]1CC(C)C 639539991 347523097 /nfs/dbraw/zinc/52/30/97/347523097.db2.gz UWIVDKALVCDPIG-GFCCVEGCSA-N 0 3 197.322 2.476 20 0 AEADHN CC(=O)CN1CCCC[C@H]1CC(C)C 639539992 347523251 /nfs/dbraw/zinc/52/32/51/347523251.db2.gz UWIVDKALVCDPIG-LBPRGKRZSA-N 0 3 197.322 2.476 20 0 AEADHN CCC[C@H]1[C@H](C)CCCN1CC(C)=O 639536208 347523273 /nfs/dbraw/zinc/52/32/73/347523273.db2.gz XNDYCBGHCXPUFK-PWSUYJOCSA-N 0 3 197.322 2.476 20 0 AEADHN CCC[C@@H]1[C@H](C)CCCN1CC(C)=O 639536209 347523611 /nfs/dbraw/zinc/52/36/11/347523611.db2.gz XNDYCBGHCXPUFK-ZYHUDNBSSA-N 0 3 197.322 2.476 20 0 AEADHN CCC[C@@H]1[C@@H](C)CCCN1CC(C)=O 639536206 347523784 /nfs/dbraw/zinc/52/37/84/347523784.db2.gz XNDYCBGHCXPUFK-CMPLNLGQSA-N 0 3 197.322 2.476 20 0 AEADHN CCC[C@H]1[C@@H](C)CCCN1CC(C)=O 639536207 347523806 /nfs/dbraw/zinc/52/38/06/347523806.db2.gz XNDYCBGHCXPUFK-JQWIXIFHSA-N 0 3 197.322 2.476 20 0 AEADHN CC(=O)CN1CC[C@H](C)C2(CCC2)C1 639559486 347524183 /nfs/dbraw/zinc/52/41/83/347524183.db2.gz WSJINPOJAKKXHC-JTQLQIEISA-N 0 3 195.306 2.088 20 0 AEADHN CC(=O)CN1CC[C@@H](C)C2(CCC2)C1 639559487 347524813 /nfs/dbraw/zinc/52/48/13/347524813.db2.gz WSJINPOJAKKXHC-SNVBAGLBSA-N 0 3 195.306 2.088 20 0 AEADHN CC(=O)CN1CC(C)(C)CC(C)(C)C1 639587434 347526315 /nfs/dbraw/zinc/52/63/15/347526315.db2.gz WFHPOFKMUTUPGZ-UHFFFAOYSA-N 0 3 197.322 2.334 20 0 AEADHN CC(=O)CN(CC1CCC1)C(C)C 639613160 347528221 /nfs/dbraw/zinc/52/82/21/347528221.db2.gz WSOKJDZTKHWSJK-UHFFFAOYSA-N 0 3 183.295 2.086 20 0 AEADHN CC(=O)CN1CCC[C@H](C(C)(C)C)C1 639619861 347528296 /nfs/dbraw/zinc/52/82/96/347528296.db2.gz IMDNBLVJRKOFIU-NSHDSACASA-N 0 3 197.322 2.334 20 0 AEADHN CC(=O)CN(C)[C@@H]1CCC(C)(C)C1 639622712 347528522 /nfs/dbraw/zinc/52/85/22/347528522.db2.gz XRGJQGJBMGRNQE-SNVBAGLBSA-N 0 3 183.295 2.086 20 0 AEADHN CC(=O)CN1CCC[C@@H](C(C)(C)C)C1 639619860 347528894 /nfs/dbraw/zinc/52/88/94/347528894.db2.gz IMDNBLVJRKOFIU-LLVKDONJSA-N 0 3 197.322 2.334 20 0 AEADHN CC(=O)CN(C)[C@H]1CCC(C)(C)C1 639622711 347528949 /nfs/dbraw/zinc/52/89/49/347528949.db2.gz XRGJQGJBMGRNQE-JTQLQIEISA-N 0 3 183.295 2.086 20 0 AEADHN CC(=O)CN1CC[C@H](C2CCCC2)C1 639675420 347531918 /nfs/dbraw/zinc/53/19/18/347531918.db2.gz UKPMIQHPOJSGOX-LBPRGKRZSA-N 0 3 195.306 2.088 20 0 AEADHN CC(=O)CN1CC[C@@H](C2CCCC2)C1 639675419 347531970 /nfs/dbraw/zinc/53/19/70/347531970.db2.gz UKPMIQHPOJSGOX-GFCCVEGCSA-N 0 3 195.306 2.088 20 0 AEADHN CC(=O)CN1CC(C)(C)CCC1(C)C 639890184 347539420 /nfs/dbraw/zinc/53/94/20/347539420.db2.gz POAVJQVXWNRDNX-UHFFFAOYSA-N 0 3 197.322 2.476 20 0 AEADHN CC[C@@H]1CCC[C@H](C)N1CC(C)=O 639865215 347539504 /nfs/dbraw/zinc/53/95/04/347539504.db2.gz OQNIXJZPDUPLJE-GXSJLCMTSA-N 0 3 183.295 2.228 20 0 AEADHN CCCCCN(C)Cc1c[nH]nc1C 639971276 347541099 /nfs/dbraw/zinc/54/10/99/347541099.db2.gz YOGFDAIROOFGTK-UHFFFAOYSA-N 0 3 195.310 2.340 20 0 AEADHN CSc1ccc(CNC2CC2)o1 641700847 347579339 /nfs/dbraw/zinc/57/93/39/347579339.db2.gz JDKZLYZDDIXVPL-UHFFFAOYSA-N 0 3 183.276 2.254 20 0 AEADHN CSc1ccc(CNC(C)C)o1 641700333 347579393 /nfs/dbraw/zinc/57/93/93/347579393.db2.gz CIJSVMWMUUOMJC-UHFFFAOYSA-N 0 3 185.292 2.500 20 0 AEADHN CCNCc1ccc(SC)o1 641703540 347580356 /nfs/dbraw/zinc/58/03/56/347580356.db2.gz VQFMECBKXKLQNX-UHFFFAOYSA-N 0 3 171.265 2.111 20 0 AEADHN CCN(C)CCOc1ccccc1F 641853331 347586250 /nfs/dbraw/zinc/58/62/50/347586250.db2.gz VJLHNGWVNUYKGS-UHFFFAOYSA-N 0 3 197.253 2.156 20 0 AEADHN C[C@H](C1CC1)N(C)Cc1cccnc1 641854408 347586314 /nfs/dbraw/zinc/58/63/14/347586314.db2.gz PDCVWSAKIWFZDK-SNVBAGLBSA-N 0 3 190.290 2.312 20 0 AEADHN CCN(Cc1ccco1)C1CC1 642093932 347588598 /nfs/dbraw/zinc/58/85/98/347588598.db2.gz JCDVQOJMQPMQOD-UHFFFAOYSA-N 0 3 165.236 2.264 20 0 AEADHN CN(CCOc1ccccc1)C1CC1 642189472 347590178 /nfs/dbraw/zinc/59/01/78/347590178.db2.gz FXDIDTJJPMZCEC-UHFFFAOYSA-N 0 3 191.274 2.160 20 0 AEADHN CCCN(CCC)Cc1ccnn1C 642243064 347591501 /nfs/dbraw/zinc/59/15/01/347591501.db2.gz XVCNVRWZENERRF-UHFFFAOYSA-N 0 3 195.310 2.042 20 0 AEADHN Cc1cc(CN(C)[C@H](C)C(C)C)on1 642252644 347592090 /nfs/dbraw/zinc/59/20/90/347592090.db2.gz DALWEJQHSKCYEC-SNVBAGLBSA-N 0 3 196.294 2.459 20 0 AEADHN Cc1cc(CN(C)[C@@H](C)C(C)C)on1 642252641 347592177 /nfs/dbraw/zinc/59/21/77/347592177.db2.gz DALWEJQHSKCYEC-JTQLQIEISA-N 0 3 196.294 2.459 20 0 AEADHN CCN(Cc1cc(C)no1)CC(C)C 642526655 347595365 /nfs/dbraw/zinc/59/53/65/347595365.db2.gz DJCAGXFRPVDGLU-UHFFFAOYSA-N 0 3 196.294 2.461 20 0 AEADHN Cc1noc(C)c1CN(C)CC(C)C 642525765 347595598 /nfs/dbraw/zinc/59/55/98/347595598.db2.gz BFEUECRBKIMILB-UHFFFAOYSA-N 0 3 196.294 2.379 20 0 AEADHN C[C@H]1CN(CC2CCCC2)C[C@@H](C)O1 642619547 347596463 /nfs/dbraw/zinc/59/64/63/347596463.db2.gz PNNKBFJVKZTKJX-PHIMTYICSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1CN(CC2CCCC2)[C@H](C)CO1 642620349 347596519 /nfs/dbraw/zinc/59/65/19/347596519.db2.gz LLOPGJHIKJYUND-MNOVXSKESA-N 0 3 197.322 2.286 20 0 AEADHN CC1(C)CN(CC2CCCC2)CCO1 642619537 347596727 /nfs/dbraw/zinc/59/67/27/347596727.db2.gz HCRTWJOSMWSMKA-UHFFFAOYSA-N 0 3 197.322 2.287 20 0 AEADHN C[C@H]1CO[C@H](C)CN1CC1CCCC1 642620351 347596734 /nfs/dbraw/zinc/59/67/34/347596734.db2.gz LLOPGJHIKJYUND-WDEREUQCSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1CN(CC2CCCC2)[C@@H](C)CO1 642620350 347596825 /nfs/dbraw/zinc/59/68/25/347596825.db2.gz LLOPGJHIKJYUND-QWRGUYRKSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@H]1CN(CC2CCCC2)CCO1 642621440 347597362 /nfs/dbraw/zinc/59/73/62/347597362.db2.gz RSSYWWQCGJZOMR-LBPRGKRZSA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@@H]1CN(CC2CCCC2)CCO1 642621439 347597416 /nfs/dbraw/zinc/59/74/16/347597416.db2.gz RSSYWWQCGJZOMR-GFCCVEGCSA-N 0 3 197.322 2.287 20 0 AEADHN COc1cccc(CN(C)C2CC2)c1 642635814 347598369 /nfs/dbraw/zinc/59/83/69/347598369.db2.gz VGFAOAZLTZOJES-UHFFFAOYSA-N 0 3 191.274 2.289 20 0 AEADHN C1=CCN(CCOCC2CCC2)CC1 642700516 347601834 /nfs/dbraw/zinc/60/18/34/347601834.db2.gz SCOGKFKZJVUZIJ-UHFFFAOYSA-N 0 3 195.306 2.065 20 0 AEADHN C[C@@H]1CN(Cc2ccon2)[C@@H](C)[C@H]1C 642722020 347603589 /nfs/dbraw/zinc/60/35/89/347603589.db2.gz ZGAFYYAIGJCLNY-UTLUCORTSA-N 0 3 194.278 2.151 20 0 AEADHN C[C@@H]1CN(Cc2ccno2)[C@H](C)[C@@H]1C 642722214 347603696 /nfs/dbraw/zinc/60/36/96/347603696.db2.gz PAJFHZOVOGNOKO-OPRDCNLKSA-N 0 3 194.278 2.151 20 0 AEADHN C[C@@H]1CN(Cc2ccon2)[C@H](C)[C@H]1C 642722018 347603821 /nfs/dbraw/zinc/60/38/21/347603821.db2.gz ZGAFYYAIGJCLNY-KXUCPTDWSA-N 0 3 194.278 2.151 20 0 AEADHN C[C@@H]1CN(Cc2ccon2)[C@@H](C)[C@@H]1C 642722017 347603872 /nfs/dbraw/zinc/60/38/72/347603872.db2.gz ZGAFYYAIGJCLNY-BBBLOLIVSA-N 0 3 194.278 2.151 20 0 AEADHN C[C@@H]1CN(Cc2ccno2)[C@@H](C)[C@@H]1C 642722212 347604113 /nfs/dbraw/zinc/60/41/13/347604113.db2.gz PAJFHZOVOGNOKO-BBBLOLIVSA-N 0 3 194.278 2.151 20 0 AEADHN C[C@@H]1CN(Cc2ccon2)[C@H](C)[C@@H]1C 642722019 347604124 /nfs/dbraw/zinc/60/41/24/347604124.db2.gz ZGAFYYAIGJCLNY-OPRDCNLKSA-N 0 3 194.278 2.151 20 0 AEADHN C[C@@H]1CN(Cc2ccno2)[C@H](C)[C@H]1C 642722213 347604206 /nfs/dbraw/zinc/60/42/06/347604206.db2.gz PAJFHZOVOGNOKO-KXUCPTDWSA-N 0 3 194.278 2.151 20 0 AEADHN C[C@@H]1CN(Cc2ccno2)[C@@H](C)[C@H]1C 642722215 347604241 /nfs/dbraw/zinc/60/42/41/347604241.db2.gz PAJFHZOVOGNOKO-UTLUCORTSA-N 0 3 194.278 2.151 20 0 AEADHN C[C@@H]1CCc2nc([C@@H](C)N)sc2C1 11567748 351360004 /nfs/dbraw/zinc/36/00/04/351360004.db2.gz LVFYXTBQIWFXSH-RNFRBKRXSA-N 0 3 196.319 2.288 20 0 AEADHN CC(C)CCNCc1ccccn1 13718324 351370930 /nfs/dbraw/zinc/37/09/30/351370930.db2.gz MCWCVCNGWPOXKP-UHFFFAOYSA-N 0 3 178.279 2.217 20 0 AEADHN CC[C@@H](C)NCc1c(C)noc1C 20252806 351402354 /nfs/dbraw/zinc/40/23/54/351402354.db2.gz OEOGQGWBRCWZLQ-SSDOTTSWSA-N 0 3 182.267 2.180 20 0 AEADHN c1ccc(-c2cc3c([nH]2)CCNC3)cc1 20274905 351402732 /nfs/dbraw/zinc/40/27/32/351402732.db2.gz JYMFDGYMZXNDJF-UHFFFAOYSA-N 0 3 198.269 2.327 20 0 AEADHN CC[C@@H](C)NCc1nccs1 22861946 351414847 /nfs/dbraw/zinc/41/48/47/351414847.db2.gz OYPILRFHCKGVHR-SSDOTTSWSA-N 0 3 170.281 2.031 20 0 AEADHN c1coc(CNCC2CCC2)c1 26511107 351419787 /nfs/dbraw/zinc/41/97/87/351419787.db2.gz NWJVNSPTZVEHTA-UHFFFAOYSA-N 0 3 165.236 2.169 20 0 AEADHN c1coc(CCNCc2ccco2)c1 35121605 351447945 /nfs/dbraw/zinc/44/79/45/351447945.db2.gz ZXQXJTDHXUSKHY-UHFFFAOYSA-N 0 3 191.230 2.205 20 0 AEADHN c1coc(CNC2CCSCC2)c1 35120740 351448356 /nfs/dbraw/zinc/44/83/56/351448356.db2.gz DOZZGSCPMOKSGA-UHFFFAOYSA-N 0 3 197.303 2.265 20 0 AEADHN C[C@@H]1CCCC[C@H]1NCc1cc[nH]n1 36900066 351459762 /nfs/dbraw/zinc/45/97/62/351459762.db2.gz XOPWCUZMAICGGB-MWLCHTKSSA-N 0 3 193.294 2.078 20 0 AEADHN c1cc(CNC2CCCCCC2)n[nH]1 36900127 351459858 /nfs/dbraw/zinc/45/98/58/351459858.db2.gz ZZJPOKVEMQPXLG-UHFFFAOYSA-N 0 3 193.294 2.222 20 0 AEADHN C[C@@H]1CCCC[C@@H]1NCc1cc[nH]n1 36900064 351460227 /nfs/dbraw/zinc/46/02/27/351460227.db2.gz XOPWCUZMAICGGB-KOLCDFICSA-N 0 3 193.294 2.078 20 0 AEADHN c1cc(CNCC2CCCCC2)n[nH]1 36900328 351460458 /nfs/dbraw/zinc/46/04/58/351460458.db2.gz NTMAMRHRBIPWSA-UHFFFAOYSA-N 0 3 193.294 2.080 20 0 AEADHN C[C@@H]1CCC[C@H](NCc2cc[nH]n2)C1 37507442 351469778 /nfs/dbraw/zinc/46/97/78/351469778.db2.gz QZHIIXPXAKDLNL-ZJUUUORDSA-N 0 3 193.294 2.078 20 0 AEADHN C[C@@H]1CCC[C@@H](NCc2cc[nH]n2)C1 37507444 351470158 /nfs/dbraw/zinc/47/01/58/351470158.db2.gz QZHIIXPXAKDLNL-NXEZZACHSA-N 0 3 193.294 2.078 20 0 AEADHN C[C@@H]1C[C@H]1CNCc1ccco1 37897510 351475900 /nfs/dbraw/zinc/47/59/00/351475900.db2.gz OKHAVUQIQLUFRU-BDAKNGLRSA-N 0 3 165.236 2.025 20 0 AEADHN C[C@@H]1C[C@@H]1CNCc1ccco1 37897508 351476092 /nfs/dbraw/zinc/47/60/92/351476092.db2.gz OKHAVUQIQLUFRU-RKDXNWHRSA-N 0 3 165.236 2.025 20 0 AEADHN CC[C@@H](C)NCc1occc1C 38065458 351477821 /nfs/dbraw/zinc/47/78/21/351477821.db2.gz IORJOCLARNCMQY-SECBINFHSA-N 0 3 167.252 2.476 20 0 AEADHN CC[C@@H](C)NCc1ccoc1 38065436 351478388 /nfs/dbraw/zinc/47/83/88/351478388.db2.gz OFXAWMMDLPARFQ-MRVPVSSYSA-N 0 3 153.225 2.168 20 0 AEADHN CC[C@@H](C)NCc1nc(C)cs1 38090573 351479406 /nfs/dbraw/zinc/47/94/06/351479406.db2.gz QBVUXAVJZKLDDB-SSDOTTSWSA-N 0 3 184.308 2.340 20 0 AEADHN c1nc(CNC2CCCC2)cs1 40420260 351506414 /nfs/dbraw/zinc/50/64/14/351506414.db2.gz YBITYBSRFKVPMK-UHFFFAOYSA-N 0 3 182.292 2.175 20 0 AEADHN CC[C@@H](C)NCc1cscn1 40419980 351506897 /nfs/dbraw/zinc/50/68/97/351506897.db2.gz XHMLCIBDDIOGJD-SSDOTTSWSA-N 0 3 170.281 2.031 20 0 AEADHN c1nc(CNCC2CCCC2)cs1 40504144 351508183 /nfs/dbraw/zinc/50/81/83/351508183.db2.gz ZWAUAQNNJQWVHC-UHFFFAOYSA-N 0 3 196.319 2.423 20 0 AEADHN c1nc(CNCC2CCC2)cs1 40504143 351508190 /nfs/dbraw/zinc/50/81/90/351508190.db2.gz LIXSTQQQDRDSQE-UHFFFAOYSA-N 0 3 182.292 2.033 20 0 AEADHN c1cc(CNC2CCCCC2)on1 41042017 351514959 /nfs/dbraw/zinc/51/49/59/351514959.db2.gz UADJHKVAIHXGSO-UHFFFAOYSA-N 0 3 180.251 2.097 20 0 AEADHN c1cc(CNC2CCCCCC2)on1 41042035 351514939 /nfs/dbraw/zinc/51/49/39/351514939.db2.gz MKVFBKPTIRHKGC-UHFFFAOYSA-N 0 3 194.278 2.487 20 0 AEADHN c1cc(CNC2CCCCCC2)no1 41670975 351519020 /nfs/dbraw/zinc/51/90/20/351519020.db2.gz VSSGUZBDMPGOIA-UHFFFAOYSA-N 0 3 194.278 2.487 20 0 AEADHN CCc1nc(CNCC2CC2)cs1 49591246 351547592 /nfs/dbraw/zinc/54/75/92/351547592.db2.gz NHXPTPNBYJPDMB-UHFFFAOYSA-N 0 3 196.319 2.205 20 0 AEADHN C[C@@H]1CN(CC2CCCC2)CCC1=O 49693710 351548635 /nfs/dbraw/zinc/54/86/35/351548635.db2.gz CRDYPYAPRVRJKN-SNVBAGLBSA-N 0 3 195.306 2.088 20 0 AEADHN CC(C)CC[C@@H](C)NCc1ncc[nH]1 49714639 351548688 /nfs/dbraw/zinc/54/86/88/351548688.db2.gz WPFGQQCQFKMQMX-SNVBAGLBSA-N 0 3 195.310 2.324 20 0 AEADHN C[C@H]1CN(CC2CCCC2)CCC1=O 49693711 351549025 /nfs/dbraw/zinc/54/90/25/351549025.db2.gz CRDYPYAPRVRJKN-JTQLQIEISA-N 0 3 195.306 2.088 20 0 AEADHN C[C@H]1CCC[C@@H](NCc2ncc[nH]2)C1 49714829 351550079 /nfs/dbraw/zinc/55/00/79/351550079.db2.gz XGURXCPHNDVBIO-VHSXEESVSA-N 0 3 193.294 2.078 20 0 AEADHN CC(C)CC[C@H](C)NCc1ncc[nH]1 49714640 351550424 /nfs/dbraw/zinc/55/04/24/351550424.db2.gz WPFGQQCQFKMQMX-JTQLQIEISA-N 0 3 195.310 2.324 20 0 AEADHN C[C@H]1CCC[C@H](NCc2ncc[nH]2)C1 49714827 351550668 /nfs/dbraw/zinc/55/06/68/351550668.db2.gz XGURXCPHNDVBIO-UWVGGRQHSA-N 0 3 193.294 2.078 20 0 AEADHN C[C@@H]1CCC[C@H](NCc2ncc[nH]2)C1 49714826 351550766 /nfs/dbraw/zinc/55/07/66/351550766.db2.gz XGURXCPHNDVBIO-ZJUUUORDSA-N 0 3 193.294 2.078 20 0 AEADHN C[C@@H]1CCC[C@@H](NCc2ncc[nH]2)C1 49714828 351550796 /nfs/dbraw/zinc/55/07/96/351550796.db2.gz XGURXCPHNDVBIO-NXEZZACHSA-N 0 3 193.294 2.078 20 0 AEADHN c1cc(NC2CCC2)ccn1 52211635 351563726 /nfs/dbraw/zinc/56/37/26/351563726.db2.gz LVPHPKNVQWSWDC-UHFFFAOYSA-N 0 3 148.209 2.046 20 0 AEADHN C[C@H](N[C@H]1CCOC1)c1ccccc1 69629961 351597997 /nfs/dbraw/zinc/59/79/97/351597997.db2.gz MPBRTGVTQSUDOR-JQWIXIFHSA-N 0 3 191.274 2.126 20 0 AEADHN C[C@@H](N[C@@H]1CCOC1)c1ccccc1 69629963 351598273 /nfs/dbraw/zinc/59/82/73/351598273.db2.gz MPBRTGVTQSUDOR-ZYHUDNBSSA-N 0 3 191.274 2.126 20 0 AEADHN C[C@@H](N[C@H]1CCOC1)c1ccccc1 69629966 351598753 /nfs/dbraw/zinc/59/87/53/351598753.db2.gz MPBRTGVTQSUDOR-PWSUYJOCSA-N 0 3 191.274 2.126 20 0 AEADHN C[C@H](N[C@@H]1CCOC1)c1ccccc1 69629958 351598925 /nfs/dbraw/zinc/59/89/25/351598925.db2.gz MPBRTGVTQSUDOR-CMPLNLGQSA-N 0 3 191.274 2.126 20 0 AEADHN CC(C)CN[C@@H](C)c1nccs1 70634053 351604728 /nfs/dbraw/zinc/60/47/28/351604728.db2.gz UAVDZJZOWXEGTM-QMMMGPOBSA-N 0 3 184.308 2.450 20 0 AEADHN C[C@@H]1CC[C@@H](NCc2ccccn2)C1 70642795 351604896 /nfs/dbraw/zinc/60/48/96/351604896.db2.gz MTHGFIQOBGRVRS-GHMZBOCLSA-N 0 3 190.290 2.360 20 0 AEADHN CC(C)CN[C@H](C)c1nccs1 70634054 351605020 /nfs/dbraw/zinc/60/50/20/351605020.db2.gz UAVDZJZOWXEGTM-MRVPVSSYSA-N 0 3 184.308 2.450 20 0 AEADHN C[C@@H]1CC[C@H](NCc2ccccn2)C1 70642793 351605081 /nfs/dbraw/zinc/60/50/81/351605081.db2.gz MTHGFIQOBGRVRS-MNOVXSKESA-N 0 3 190.290 2.360 20 0 AEADHN CC[C@@H](C)CNCc1c(C)noc1C 70797246 351607304 /nfs/dbraw/zinc/60/73/04/351607304.db2.gz VRFZTMFFMFNGKY-MRVPVSSYSA-N 0 3 196.294 2.427 20 0 AEADHN CCN1CCc2c(cccc2OC)C1 74448389 351621294 /nfs/dbraw/zinc/62/12/94/351621294.db2.gz HTULSWHEWAUXCA-UHFFFAOYSA-N 0 3 191.274 2.073 20 0 AEADHN C1=CC[C@H](NCc2cscn2)CC1 80123140 351630894 /nfs/dbraw/zinc/63/08/94/351630894.db2.gz NNOCJAFGUAMVIP-VIFPVBQESA-N 0 3 194.303 2.341 20 0 AEADHN C1=CC[C@@H](NCc2cscn2)CC1 80123144 351631188 /nfs/dbraw/zinc/63/11/88/351631188.db2.gz NNOCJAFGUAMVIP-SECBINFHSA-N 0 3 194.303 2.341 20 0 AEADHN C1=CC[C@@H](NCc2ccccn2)CC1 80122584 351631507 /nfs/dbraw/zinc/63/15/07/351631507.db2.gz ARNWNRGYQPHGIP-LLVKDONJSA-N 0 3 188.274 2.280 20 0 AEADHN C1=CC[C@H](NCc2ccccn2)CC1 80122576 351631547 /nfs/dbraw/zinc/63/15/47/351631547.db2.gz ARNWNRGYQPHGIP-NSHDSACASA-N 0 3 188.274 2.280 20 0 AEADHN CC(C)CNCc1ccncc1Cl 83343053 351645470 /nfs/dbraw/zinc/64/54/70/351645470.db2.gz BHVBTHXGCNDLBW-UHFFFAOYSA-N 0 3 198.697 2.481 20 0 AEADHN C1=CCC(CNCc2ccco2)C1 83740831 351647759 /nfs/dbraw/zinc/64/77/59/351647759.db2.gz YOVRISUBCRNARV-UHFFFAOYSA-N 0 3 177.247 2.335 20 0 AEADHN C[C@@H](c1ccncc1)N1CCCC1 86863054 351656704 /nfs/dbraw/zinc/65/67/04/351656704.db2.gz MYUPMEJAHLDQDM-JTQLQIEISA-N 0 3 176.263 2.238 20 0 AEADHN C[C@@H]1OCC[C@H]1NCc1cccs1 96033528 351678371 /nfs/dbraw/zinc/67/83/71/351678371.db2.gz LECGCRTZNBFTGO-WCBMZHEXSA-N 0 3 197.303 2.015 20 0 AEADHN C[C@@H]1OCC[C@@H]1NCc1cccs1 96033530 351678477 /nfs/dbraw/zinc/67/84/77/351678477.db2.gz LECGCRTZNBFTGO-WPRPVWTQSA-N 0 3 197.303 2.015 20 0 AEADHN Cc1cc([C@@H](N)CF)ccc1F 107123100 351718111 /nfs/dbraw/zinc/71/81/11/351718111.db2.gz CJMJVQUABQLJRS-VIFPVBQESA-N 0 3 171.190 2.103 20 0 AEADHN N[C@H](CF)c1ccccc1Cl 107124680 351717792 /nfs/dbraw/zinc/71/77/92/351717792.db2.gz LQXGKCUDBZAYNQ-MRVPVSSYSA-N 0 3 173.618 2.309 20 0 AEADHN Cc1ccc(C)c([C@@H](N)CF)c1 107121286 351717827 /nfs/dbraw/zinc/71/78/27/351717827.db2.gz IMDBWMZGOFQKSM-JTQLQIEISA-N 0 3 167.227 2.273 20 0 AEADHN N[C@@H](CF)c1ccccc1Cl 107124683 351718136 /nfs/dbraw/zinc/71/81/36/351718136.db2.gz LQXGKCUDBZAYNQ-QMMMGPOBSA-N 0 3 173.618 2.309 20 0 AEADHN Cc1cc([C@H](N)CF)ccc1F 107123097 351718199 /nfs/dbraw/zinc/71/81/99/351718199.db2.gz CJMJVQUABQLJRS-SECBINFHSA-N 0 3 171.190 2.103 20 0 AEADHN Cc1ccc(C)c([C@H](N)CF)c1 107121283 351718214 /nfs/dbraw/zinc/71/82/14/351718214.db2.gz IMDBWMZGOFQKSM-SNVBAGLBSA-N 0 3 167.227 2.273 20 0 AEADHN N[C@H](CF)c1ccc(Cl)c(F)c1 107135485 351718256 /nfs/dbraw/zinc/71/82/56/351718256.db2.gz IQRZGLOSIXNZMD-MRVPVSSYSA-N 0 3 191.608 2.448 20 0 AEADHN Cc1ccc([C@H](N)CF)c(C)c1 107121275 351718280 /nfs/dbraw/zinc/71/82/80/351718280.db2.gz UFCRSPOHJMGYNL-SNVBAGLBSA-N 0 3 167.227 2.273 20 0 AEADHN Cc1cc(C)cc([C@H](N)CF)c1 107121267 351718286 /nfs/dbraw/zinc/71/82/86/351718286.db2.gz DSIRFOSOVAGZBP-SNVBAGLBSA-N 0 3 167.227 2.273 20 0 AEADHN Cc1ccc([C@@H](N)CF)cc1C 107121293 351718310 /nfs/dbraw/zinc/71/83/10/351718310.db2.gz BYJBUWAHQDWQHH-JTQLQIEISA-N 0 3 167.227 2.273 20 0 AEADHN c1cc2c(o1)CCC[C@H]2NC1CC1 107408999 351720057 /nfs/dbraw/zinc/72/00/57/351720057.db2.gz JCIZNHMWIJBAHK-SNVBAGLBSA-N 0 3 177.247 2.409 20 0 AEADHN c1cc2c(o1)CCC[C@@H]2NC1CC1 107409002 351720067 /nfs/dbraw/zinc/72/00/67/351720067.db2.gz JCIZNHMWIJBAHK-JTQLQIEISA-N 0 3 177.247 2.409 20 0 AEADHN C[C@@H]1OCC[C@H]1NCc1ccsc1 133977409 351737613 /nfs/dbraw/zinc/73/76/13/351737613.db2.gz WVGZINJJJDQRHN-WCBMZHEXSA-N 0 3 197.303 2.015 20 0 AEADHN C[C@@H]1OCC[C@@H]1NCc1ccsc1 133977834 351737675 /nfs/dbraw/zinc/73/76/75/351737675.db2.gz WVGZINJJJDQRHN-WPRPVWTQSA-N 0 3 197.303 2.015 20 0 AEADHN CCN(Cc1ccccn1)C(C)C 205255415 351784506 /nfs/dbraw/zinc/78/45/06/351784506.db2.gz QFBTVKWSINZWNU-UHFFFAOYSA-N 0 3 178.279 2.312 20 0 AEADHN Cc1cccc(CN(C)C(C)C)n1 205251765 351784653 /nfs/dbraw/zinc/78/46/53/351784653.db2.gz SBSAKHVZTFJKBI-UHFFFAOYSA-N 0 3 178.279 2.230 20 0 AEADHN CC(C)N[C@@H]1COCc2ccccc21 225973960 351800552 /nfs/dbraw/zinc/80/05/52/351800552.db2.gz IUXRZTLDVZKBEM-GFCCVEGCSA-N 0 3 191.274 2.256 20 0 AEADHN CC(C)N[C@H]1COCc2ccccc21 225973973 351800802 /nfs/dbraw/zinc/80/08/02/351800802.db2.gz IUXRZTLDVZKBEM-LBPRGKRZSA-N 0 3 191.274 2.256 20 0 AEADHN C[C@H]1CC[C@H](NCc2cc[nH]n2)CC1 252966147 351844024 /nfs/dbraw/zinc/84/40/24/351844024.db2.gz SJKWVCNPEAJXIF-MGCOHNPYSA-N 0 3 193.294 2.078 20 0 AEADHN CC(C)Oc1cccc2c1CNC2 257969183 351856368 /nfs/dbraw/zinc/85/63/68/351856368.db2.gz JZULKJIKBHZHST-UHFFFAOYSA-N 0 3 177.247 2.077 20 0 AEADHN NCc1cc2c(O)cccc2s1 257989576 351856803 /nfs/dbraw/zinc/85/68/03/351856803.db2.gz WBGZCGDKQQBZCX-UHFFFAOYSA-N 0 3 179.244 2.066 20 0 AEADHN Cc1ncc(CNC2CCCC2)o1 258100786 351859133 /nfs/dbraw/zinc/85/91/33/351859133.db2.gz IPADTNVOYYIFDJ-UHFFFAOYSA-N 0 3 180.251 2.015 20 0 AEADHN C[C@@H]1CN(CCC(C)(C)C)CCO1 306165049 351903951 /nfs/dbraw/zinc/90/39/51/351903951.db2.gz HWVKPPOLHKZZHL-SNVBAGLBSA-N 0 3 185.311 2.143 20 0 AEADHN C[C@@H]1CCCCN1Cc1ccno1 306222961 351909889 /nfs/dbraw/zinc/90/98/89/351909889.db2.gz YBZICVKRWWXSBJ-SECBINFHSA-N 0 3 180.251 2.049 20 0 AEADHN CC[C@H](F)CN1CCCSCC1 306278881 351915115 /nfs/dbraw/zinc/91/51/15/351915115.db2.gz XGLQTSLEFBJBDM-VIFPVBQESA-N 0 3 191.315 2.173 20 0 AEADHN CC[C@@H](F)CN1CCCSCC1 306278879 351915343 /nfs/dbraw/zinc/91/53/43/351915343.db2.gz XGLQTSLEFBJBDM-SECBINFHSA-N 0 3 191.315 2.173 20 0 AEADHN c1nc(CCN2CCCCC2)cs1 306288047 351916514 /nfs/dbraw/zinc/91/65/14/351916514.db2.gz LPVDBVIDXGOYLS-UHFFFAOYSA-N 0 3 196.319 2.172 20 0 AEADHN C[C@@H]1CCN(CCc2cscn2)C1 306299889 351917950 /nfs/dbraw/zinc/91/79/50/351917950.db2.gz YQNWAQSLNMFPFK-SECBINFHSA-N 0 3 196.319 2.027 20 0 AEADHN CC[C@@H](C)N1CCC=C(F)C1 306361341 351922695 /nfs/dbraw/zinc/92/26/95/351922695.db2.gz OXDKXWXSAUARRZ-MRVPVSSYSA-N 0 3 157.232 2.344 20 0 AEADHN CC(C)=CCN1CC[C@H](O)C(C)(C)C1 306363236 351923315 /nfs/dbraw/zinc/92/33/15/351923315.db2.gz XANITAHOTSKAHH-NSHDSACASA-N 0 3 197.322 2.045 20 0 AEADHN CC(C)=CCN1CC[C@@H](O)C(C)(C)C1 306363235 351923339 /nfs/dbraw/zinc/92/33/39/351923339.db2.gz XANITAHOTSKAHH-LLVKDONJSA-N 0 3 197.322 2.045 20 0 AEADHN CC(C)=CCN1CCCO[C@H](C)C1 306509435 351940303 /nfs/dbraw/zinc/94/03/03/351940303.db2.gz JHWRDSIWJFOOSC-LLVKDONJSA-N 0 3 183.295 2.063 20 0 AEADHN C[C@@H]1CCN(Cc2ccco2)C1 306548082 351945093 /nfs/dbraw/zinc/94/50/93/351945093.db2.gz NIUVZFSOJAYLEK-SECBINFHSA-N 0 3 165.236 2.121 20 0 AEADHN C[C@@H]1CN(Cc2cncs2)C[C@H]1C 306572690 351946672 /nfs/dbraw/zinc/94/66/72/351946672.db2.gz HSEWTWRLSXGQEV-RKDXNWHRSA-N 0 3 196.319 2.231 20 0 AEADHN C[C@@H]1CN(Cc2cncs2)C[C@@H]1C 306572686 351946825 /nfs/dbraw/zinc/94/68/25/351946825.db2.gz HSEWTWRLSXGQEV-DTORHVGOSA-N 0 3 196.319 2.231 20 0 AEADHN CC[C@@H](C)N1CCOC2(CCC2)C1 306610090 351950291 /nfs/dbraw/zinc/95/02/91/351950291.db2.gz ZREULKPJSDNGHH-SNVBAGLBSA-N 0 3 183.295 2.040 20 0 AEADHN CC(C)CCN1C[C@@H](C)OC[C@H]1C 306647634 351953442 /nfs/dbraw/zinc/95/34/42/351953442.db2.gz BZVHGCIKRGSUBG-GHMZBOCLSA-N 0 3 185.311 2.142 20 0 AEADHN CC(C)CCN1C[C@H](C)OC[C@H]1C 306647645 351953466 /nfs/dbraw/zinc/95/34/66/351953466.db2.gz BZVHGCIKRGSUBG-MNOVXSKESA-N 0 3 185.311 2.142 20 0 AEADHN CC(C)CCN1C[C@H](C)OC[C@@H]1C 306647654 351953486 /nfs/dbraw/zinc/95/34/86/351953486.db2.gz BZVHGCIKRGSUBG-QWRGUYRKSA-N 0 3 185.311 2.142 20 0 AEADHN CC(C)CCN1C[C@@H](C)OC[C@@H]1C 306647664 351953494 /nfs/dbraw/zinc/95/34/94/351953494.db2.gz BZVHGCIKRGSUBG-WDEREUQCSA-N 0 3 185.311 2.142 20 0 AEADHN C[C@H](CF)NC1CC(C)(C)C1 306753855 351962397 /nfs/dbraw/zinc/96/23/97/351962397.db2.gz JRYCKSNGJZPNIB-SSDOTTSWSA-N 0 3 159.248 2.123 20 0 AEADHN CC(C)=CCN1CCSCC1 306783466 351964684 /nfs/dbraw/zinc/96/46/84/351964684.db2.gz GUSAEVIFPNGPMG-UHFFFAOYSA-N 0 3 171.309 2.001 20 0 AEADHN C[C@@H]1CCCN1Cc1ccco1 307110676 351987174 /nfs/dbraw/zinc/98/71/74/351987174.db2.gz BVRJGZFLHCCKSA-SECBINFHSA-N 0 3 165.236 2.264 20 0 AEADHN C[C@@H]1CCCN1Cc1cncs1 307125791 351987798 /nfs/dbraw/zinc/98/77/98/351987798.db2.gz CKJMNUJMNLFIHN-MRVPVSSYSA-N 0 3 182.292 2.127 20 0 AEADHN c1coc(CN2CCC23CCC3)c1 307149775 351990656 /nfs/dbraw/zinc/99/06/56/351990656.db2.gz RXFYNHGTUFKXQV-UHFFFAOYSA-N 0 3 177.247 2.408 20 0 AEADHN C[C@H](F)CCN1CCSC[C@H]1C 307213131 351995185 /nfs/dbraw/zinc/99/51/85/351995185.db2.gz WYFJZFKYORHBSQ-DTWKUNHWSA-N 0 3 191.315 2.172 20 0 AEADHN C[C@@H]1COCCN1CCC(C)(C)C 307211220 351994778 /nfs/dbraw/zinc/99/47/78/351994778.db2.gz SJPYSPRUTFECNF-SNVBAGLBSA-N 0 3 185.311 2.143 20 0 AEADHN C[C@H]1CSCCN1CC[C@@H](C)F 307213130 351995266 /nfs/dbraw/zinc/99/52/66/351995266.db2.gz WYFJZFKYORHBSQ-BDAKNGLRSA-N 0 3 191.315 2.172 20 0 AEADHN C[C@H](F)CCN1CCSC[C@@H]1C 307213132 351995473 /nfs/dbraw/zinc/99/54/73/351995473.db2.gz WYFJZFKYORHBSQ-IUCAKERBSA-N 0 3 191.315 2.172 20 0 AEADHN CC(C)CN[C@H]1C[C@H](C)n2ccnc21 307216992 351995989 /nfs/dbraw/zinc/99/59/89/351995989.db2.gz FSYGLOVZKVUZMU-UWVGGRQHSA-N 0 3 193.294 2.135 20 0 AEADHN CC(C)CN[C@@H]1C[C@@H](C)n2ccnc21 307216991 351996102 /nfs/dbraw/zinc/99/61/02/351996102.db2.gz FSYGLOVZKVUZMU-NXEZZACHSA-N 0 3 193.294 2.135 20 0 AEADHN CC(C)CN[C@H]1C[C@@H](C)n2ccnc21 307216994 351996154 /nfs/dbraw/zinc/99/61/54/351996154.db2.gz FSYGLOVZKVUZMU-ZJUUUORDSA-N 0 3 193.294 2.135 20 0 AEADHN CC(C)CN[C@@H]1C[C@H](C)n2ccnc21 307216993 351996193 /nfs/dbraw/zinc/99/61/93/351996193.db2.gz FSYGLOVZKVUZMU-VHSXEESVSA-N 0 3 193.294 2.135 20 0 AEADHN CC(=O)CN1CCC2(CCCCC2)C1 307289688 352001127 /nfs/dbraw/zinc/00/11/27/352001127.db2.gz GZGFSGRCKSKCKK-UHFFFAOYSA-N 0 3 195.306 2.232 20 0 AEADHN CC[C@@H]1CC[C@@H](C)N(CC(C)=O)C1 307318970 352003345 /nfs/dbraw/zinc/00/33/45/352003345.db2.gz RQGPVYXPFRGPME-MWLCHTKSSA-N 0 3 183.295 2.086 20 0 AEADHN c1ccc2c(c1)CN(CC1CC1)C2 307317632 352003546 /nfs/dbraw/zinc/00/35/46/352003546.db2.gz OWUIWZAVJXUMNC-UHFFFAOYSA-N 0 3 173.259 2.412 20 0 AEADHN C[C@@H]1C[C@@H](NC2CCC2)c2nccn21 307376917 352008220 /nfs/dbraw/zinc/00/82/20/352008220.db2.gz WFJGBGUADDOANT-PSASIEDQSA-N 0 3 191.278 2.031 20 0 AEADHN C[C@@H]1C[C@H](NC2CCC2)c2nccn21 307376918 352008306 /nfs/dbraw/zinc/00/83/06/352008306.db2.gz WFJGBGUADDOANT-SCZZXKLOSA-N 0 3 191.278 2.031 20 0 AEADHN C[C@@H]1CSC[C@H]1NCc1ccco1 307505648 352018127 /nfs/dbraw/zinc/01/81/27/352018127.db2.gz LDZAQDVIIVELRS-PSASIEDQSA-N 0 3 197.303 2.121 20 0 AEADHN CC[C@@H](C)N1CCO[C@H](C(C)C)C1 307577470 352023126 /nfs/dbraw/zinc/02/31/26/352023126.db2.gz MBLPGOWSKOJTMP-MNOVXSKESA-N 0 3 185.311 2.142 20 0 AEADHN CC[C@@H](C)N1CCO[C@@H](C(C)C)C1 307577464 352023455 /nfs/dbraw/zinc/02/34/55/352023455.db2.gz MBLPGOWSKOJTMP-GHMZBOCLSA-N 0 3 185.311 2.142 20 0 AEADHN C[C@@H]1CC[C@@H](C)N1Cc1ccno1 307685215 352031848 /nfs/dbraw/zinc/03/18/48/352031848.db2.gz XUAWDFOQKLWXSP-RKDXNWHRSA-N 0 3 180.251 2.047 20 0 AEADHN C[C@@H](c1cccnc1)N1CCCC1 307682623 352031881 /nfs/dbraw/zinc/03/18/81/352031881.db2.gz RUDHPMICSCXLNV-JTQLQIEISA-N 0 3 176.263 2.238 20 0 AEADHN C[C@@H]1CCN(Cc2cncs2)[C@@H]1C 307719824 352035401 /nfs/dbraw/zinc/03/54/01/352035401.db2.gz NVGBWJLTRTXKDS-RKDXNWHRSA-N 0 3 196.319 2.373 20 0 AEADHN C[C@@H]1C[C@@H](C)N(Cc2cncs2)C1 307725629 352036174 /nfs/dbraw/zinc/03/61/74/352036174.db2.gz BDYYHYNSMJGZLP-RKDXNWHRSA-N 0 3 196.319 2.373 20 0 AEADHN C[C@@H]1Cc2ccccc2[C@@H]1NCCF 307745186 352036724 /nfs/dbraw/zinc/03/67/24/352036724.db2.gz RACOEWHEDANLFP-BXKDBHETSA-N 0 3 193.265 2.479 20 0 AEADHN C[C@@H]1Cc2ccccc2[C@H]1NCCF 307745189 352037464 /nfs/dbraw/zinc/03/74/64/352037464.db2.gz RACOEWHEDANLFP-SKDRFNHKSA-N 0 3 193.265 2.479 20 0 AEADHN CC(C)C[C@@H](C)N1CCO[C@@H](C)C1 307757448 352039362 /nfs/dbraw/zinc/03/93/62/352039362.db2.gz LFZCZMKXZVSRMP-MNOVXSKESA-N 0 3 185.311 2.142 20 0 AEADHN CC(C)C[C@@H](C)N1CCO[C@H](C)C1 307757447 352039420 /nfs/dbraw/zinc/03/94/20/352039420.db2.gz LFZCZMKXZVSRMP-GHMZBOCLSA-N 0 3 185.311 2.142 20 0 AEADHN CC(C)C[C@H](C)N1CCO[C@H](C)C1 307757450 352039433 /nfs/dbraw/zinc/03/94/33/352039433.db2.gz LFZCZMKXZVSRMP-WDEREUQCSA-N 0 3 185.311 2.142 20 0 AEADHN C[C@@H]1CCCN1Cc1cccnc1 307759622 352039472 /nfs/dbraw/zinc/03/94/72/352039472.db2.gz SKKDUNZHJGYFLZ-SNVBAGLBSA-N 0 3 176.263 2.066 20 0 AEADHN CC(C)C[C@H](C)N1CCO[C@@H](C)C1 307757449 352039643 /nfs/dbraw/zinc/03/96/43/352039643.db2.gz LFZCZMKXZVSRMP-QWRGUYRKSA-N 0 3 185.311 2.142 20 0 AEADHN C/C=C\CNCc1ccc(O)cc1 308099311 352043255 /nfs/dbraw/zinc/04/32/55/352043255.db2.gz ACIMRZDAOWJUGS-IHWYPQMZSA-N 0 3 177.247 2.058 20 0 AEADHN COC[C@H](C)NCc1ccsc1C 308212317 352045916 /nfs/dbraw/zinc/04/59/16/352045916.db2.gz XDWVIJZYUHZYRU-QMMMGPOBSA-N 0 3 199.319 2.181 20 0 AEADHN CCCCCNCc1snnc1C 308252198 352046831 /nfs/dbraw/zinc/04/68/31/352046831.db2.gz GHYSLGXVOZLNNR-UHFFFAOYSA-N 0 3 199.323 2.126 20 0 AEADHN CC1(CNCc2ccon2)CCCC1 308647816 352053618 /nfs/dbraw/zinc/05/36/18/352053618.db2.gz IGAAIMROIUZUJB-UHFFFAOYSA-N 0 3 194.278 2.345 20 0 AEADHN C[C@@H]1COCCN1C[C@H]1CC=CCC1 334165361 352057475 /nfs/dbraw/zinc/05/74/75/352057475.db2.gz AHPVZENVPFOCBW-NEPJUHHUSA-N 0 3 195.306 2.063 20 0 AEADHN C[C@@H]1COCCN1C[C@@H]1CC=CCC1 334165383 352058000 /nfs/dbraw/zinc/05/80/00/352058000.db2.gz AHPVZENVPFOCBW-VXGBXAGGSA-N 0 3 195.306 2.063 20 0 AEADHN CC(C)n1nccc1CN1CCCC1 334224578 352059566 /nfs/dbraw/zinc/05/95/66/352059566.db2.gz XWFPFLRZUOYVKN-UHFFFAOYSA-N 0 3 193.294 2.060 20 0 AEADHN CC(C)CN1CCC[C@H]1c1ncc[nH]1 334306233 352062954 /nfs/dbraw/zinc/06/29/54/352062954.db2.gz CTUZETRFMLFLQF-JTQLQIEISA-N 0 3 193.294 2.203 20 0 AEADHN CC(C)CN1CCC[C@@H]1c1ncc[nH]1 334306234 352062986 /nfs/dbraw/zinc/06/29/86/352062986.db2.gz CTUZETRFMLFLQF-SNVBAGLBSA-N 0 3 193.294 2.203 20 0 AEADHN CC[C@@H](C)CN1CC[C@@H](F)C1 335407824 352097703 /nfs/dbraw/zinc/09/77/03/352097703.db2.gz VZDGXHNGSBXJFJ-RKDXNWHRSA-N 0 3 159.248 2.076 20 0 AEADHN C[C@@H]1CCCN(Cc2ccno2)CC1 334410123 352067904 /nfs/dbraw/zinc/06/79/04/352067904.db2.gz JJBMANWQTVAWDJ-SNVBAGLBSA-N 0 3 194.278 2.297 20 0 AEADHN C[C@@H]1CN(C[C@H]2CC=CCC2)CCO1 334441752 352070064 /nfs/dbraw/zinc/07/00/64/352070064.db2.gz BXPHUNOFQHPYTA-NEPJUHHUSA-N 0 3 195.306 2.063 20 0 AEADHN C[C@@H]1CN(C[C@@H]2CC=CCC2)CCO1 334441754 352070133 /nfs/dbraw/zinc/07/01/33/352070133.db2.gz BXPHUNOFQHPYTA-VXGBXAGGSA-N 0 3 195.306 2.063 20 0 AEADHN c1ncc(CCN2CCCCC2)s1 334549831 352074894 /nfs/dbraw/zinc/07/48/94/352074894.db2.gz VGVZCRBPXLIRET-UHFFFAOYSA-N 0 3 196.319 2.172 20 0 AEADHN C[C@@H]1CCN(CC2CC2)[C@@H](C(N)=O)C1 334537807 352074974 /nfs/dbraw/zinc/07/49/74/352074974.db2.gz QYXHDHAIOPYNIR-PSASIEDQSA-N 0 3 196.294 2.032 20 0 AEADHN C[C@@H]1CCN(CC2CC2)[C@H](C(N)=O)C1 334537808 352075144 /nfs/dbraw/zinc/07/51/44/352075144.db2.gz QYXHDHAIOPYNIR-SCZZXKLOSA-N 0 3 196.294 2.032 20 0 AEADHN C[C@@H]1CN(Cc2cc[nH]n2)C(C)(C)C1 334629593 352077299 /nfs/dbraw/zinc/07/72/99/352077299.db2.gz AQWCSZRXDGUJFH-VIFPVBQESA-N 0 3 193.294 2.030 20 0 AEADHN C[C@@H]1CCCCN(Cc2c[nH]cn2)C1 334639713 352077468 /nfs/dbraw/zinc/07/74/68/352077468.db2.gz ZDFIHBBEFOBWOR-SNVBAGLBSA-N 0 3 193.294 2.032 20 0 AEADHN C[C@@H]1CCC(C)(C)N1Cc1cc[nH]n1 334692229 352079856 /nfs/dbraw/zinc/07/98/56/352079856.db2.gz NBIFIMOZUKTKAZ-SECBINFHSA-N 0 3 193.294 2.173 20 0 AEADHN C[C@H]1CCC(C)(C)N1Cc1cc[nH]n1 334692231 352080145 /nfs/dbraw/zinc/08/01/45/352080145.db2.gz NBIFIMOZUKTKAZ-VIFPVBQESA-N 0 3 193.294 2.173 20 0 AEADHN C[C@@H]1CN(Cc2ccno2)C(C)(C)C1 334766364 352081681 /nfs/dbraw/zinc/08/16/81/352081681.db2.gz CRVSBWLSVPRQED-VIFPVBQESA-N 0 3 194.278 2.295 20 0 AEADHN C[C@@H]1CCC[C@@H](C)N1Cc1ccno1 334821079 352082883 /nfs/dbraw/zinc/08/28/83/352082883.db2.gz YBKSVFLFNGLZFI-NXEZZACHSA-N 0 3 194.278 2.438 20 0 AEADHN CC[C@@H](C)N1CCO[C@H](C2CCC2)C1 334815061 352083021 /nfs/dbraw/zinc/08/30/21/352083021.db2.gz LXWMFWDRAZANPN-PWSUYJOCSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@@H](C)N1CCO[C@@H](C2CCC2)C1 334815062 352083345 /nfs/dbraw/zinc/08/33/45/352083345.db2.gz LXWMFWDRAZANPN-ZYHUDNBSSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@@H](C)N1CCOC2(CCCC2)C1 334886210 352084323 /nfs/dbraw/zinc/08/43/23/352084323.db2.gz UGSKKFAQTWJGRQ-LLVKDONJSA-N 0 3 197.322 2.430 20 0 AEADHN C[C@@H]1CCC(C)(C)N1Cc1ccno1 334869098 352084775 /nfs/dbraw/zinc/08/47/75/352084775.db2.gz XRMFYVYNMJZYTF-SECBINFHSA-N 0 3 194.278 2.438 20 0 AEADHN CC(C)=CCN1C[C@@H]2C[C@H]1CS2 335153183 352090510 /nfs/dbraw/zinc/09/05/10/352090510.db2.gz DZHYAKFBRRWGJY-UWVGGRQHSA-N 0 3 183.320 2.142 20 0 AEADHN CC[C@@H](C)CN1CC[C@H](F)C1 335407821 352097407 /nfs/dbraw/zinc/09/74/07/352097407.db2.gz VZDGXHNGSBXJFJ-BDAKNGLRSA-N 0 3 159.248 2.076 20 0 AEADHN c1cc(CNC2CC3(CCC3)C2)on1 335407903 352097726 /nfs/dbraw/zinc/09/77/26/352097726.db2.gz OJTOVKLTZKUIFP-UHFFFAOYSA-N 0 3 192.262 2.097 20 0 AEADHN C[C@@H]1C[C@@H](NCc2ccsc2)CO1 335426400 352097860 /nfs/dbraw/zinc/09/78/60/352097860.db2.gz VDTZBHNKBBSRJY-PSASIEDQSA-N 0 3 197.303 2.015 20 0 AEADHN C[C@@H]1C[C@H](NCc2ccsc2)CO1 335426401 352098209 /nfs/dbraw/zinc/09/82/09/352098209.db2.gz VDTZBHNKBBSRJY-SCZZXKLOSA-N 0 3 197.303 2.015 20 0 AEADHN C[C@H]1CN(CC2CC2)CC2(CCC2)O1 335464581 352099706 /nfs/dbraw/zinc/09/97/06/352099706.db2.gz WAPMDZRCYNXNAP-JTQLQIEISA-N 0 3 195.306 2.040 20 0 AEADHN CCCN1C[C@H](C)OC2(CCC2)C1 335464014 352099728 /nfs/dbraw/zinc/09/97/28/352099728.db2.gz UGLCQSJPUHXGIT-JTQLQIEISA-N 0 3 183.295 2.040 20 0 AEADHN C[C@@H]1CN(CC2CC2)CC2(CCC2)O1 335464582 352099787 /nfs/dbraw/zinc/09/97/87/352099787.db2.gz WAPMDZRCYNXNAP-SNVBAGLBSA-N 0 3 195.306 2.040 20 0 AEADHN C[C@@H]1CCN(Cc2c[nH]cn2)[C@H](C)C1 335529705 352102113 /nfs/dbraw/zinc/10/21/13/352102113.db2.gz SCBPBNXRPGKXBF-NXEZZACHSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@@H]1CCN(Cc2cnc[nH]2)[C@H](C)C1 335529705 352102116 /nfs/dbraw/zinc/10/21/16/352102116.db2.gz SCBPBNXRPGKXBF-NXEZZACHSA-N 0 3 193.294 2.030 20 0 AEADHN CC(C)C1(C)CCN(CC(N)=O)CC1 335683558 352109260 /nfs/dbraw/zinc/10/92/60/352109260.db2.gz WLMXKNDPEOGKRH-UHFFFAOYSA-N 0 3 198.310 2.280 20 0 AEADHN CC[C@@H]1CCN(Cc2cnoc2C)C1 335731139 352110458 /nfs/dbraw/zinc/11/04/58/352110458.db2.gz LCRLZXHMOHOSMW-SNVBAGLBSA-N 0 3 194.278 2.215 20 0 AEADHN CC1(C)COCCN1[C@H]1C=CCCC1 335728717 352110505 /nfs/dbraw/zinc/11/05/05/352110505.db2.gz XVURMKVPAYRTTP-NSHDSACASA-N 0 3 195.306 2.206 20 0 AEADHN C[C@@H]1CN(Cc2ccon2)C(C)(C)C1 335724083 352110598 /nfs/dbraw/zinc/11/05/98/352110598.db2.gz FKCBYOZJEAASDX-VIFPVBQESA-N 0 3 194.278 2.295 20 0 AEADHN CC1(C)COCCN1[C@@H]1C=CCCC1 335728716 352110737 /nfs/dbraw/zinc/11/07/37/352110737.db2.gz XVURMKVPAYRTTP-LLVKDONJSA-N 0 3 195.306 2.206 20 0 AEADHN C[C@@H]1CC[C@@H](N(C)Cc2c[nH]cn2)C1 335765981 352112643 /nfs/dbraw/zinc/11/26/43/352112643.db2.gz YKHQRHIVNOCGRS-MWLCHTKSSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@@H]1CC[C@@H](N(C)Cc2cnc[nH]2)C1 335765981 352112646 /nfs/dbraw/zinc/11/26/46/352112646.db2.gz YKHQRHIVNOCGRS-MWLCHTKSSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@@H]1CCCCN(Cc2ccno2)C1 335784098 352112804 /nfs/dbraw/zinc/11/28/04/352112804.db2.gz UYMMLRKWDQDSLZ-SNVBAGLBSA-N 0 3 194.278 2.297 20 0 AEADHN C[C@@H]1CC[C@H](N(C)Cc2c[nH]cn2)C1 335765980 352112844 /nfs/dbraw/zinc/11/28/44/352112844.db2.gz YKHQRHIVNOCGRS-KOLCDFICSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@@H]1CC[C@H](N(C)Cc2cnc[nH]2)C1 335765980 352112845 /nfs/dbraw/zinc/11/28/45/352112845.db2.gz YKHQRHIVNOCGRS-KOLCDFICSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@@H]1CCCN(Cc2ccno2)[C@@H]1C 335820202 352113752 /nfs/dbraw/zinc/11/37/52/352113752.db2.gz ZYWWIFSJSOKTNI-NXEZZACHSA-N 0 3 194.278 2.295 20 0 AEADHN C[C@@H]1CC[C@H](N(C)Cc2ccno2)C1 335858091 352115627 /nfs/dbraw/zinc/11/56/27/352115627.db2.gz SVCPZOACZNJTPU-ZJUUUORDSA-N 0 3 194.278 2.295 20 0 AEADHN C[C@@H]1CC[C@@H](N(C)Cc2ccno2)C1 335858088 352115799 /nfs/dbraw/zinc/11/57/99/352115799.db2.gz SVCPZOACZNJTPU-NXEZZACHSA-N 0 3 194.278 2.295 20 0 AEADHN CC(C)CN1CC[C@H](C)C[C@H]1C(N)=O 335882556 352117490 /nfs/dbraw/zinc/11/74/90/352117490.db2.gz QRJWLQGODOMJMU-UWVGGRQHSA-N 0 3 198.310 2.278 20 0 AEADHN CC(C)CN1CC[C@@H](C)C[C@@H]1C(N)=O 335882555 352117315 /nfs/dbraw/zinc/11/73/15/352117315.db2.gz QRJWLQGODOMJMU-NXEZZACHSA-N 0 3 198.310 2.278 20 0 AEADHN CC(C)CN1CC[C@H](C)C[C@@H]1C(N)=O 335882557 352117337 /nfs/dbraw/zinc/11/73/37/352117337.db2.gz QRJWLQGODOMJMU-VHSXEESVSA-N 0 3 198.310 2.278 20 0 AEADHN CC(C)CN1CC[C@@H](C)C[C@H]1C(N)=O 335882558 352117478 /nfs/dbraw/zinc/11/74/78/352117478.db2.gz QRJWLQGODOMJMU-ZJUUUORDSA-N 0 3 198.310 2.278 20 0 AEADHN C[C@@H]1CC[C@@H](C)N(Cc2cc[nH]n2)C1 335944608 352119962 /nfs/dbraw/zinc/11/99/62/352119962.db2.gz YHQFTMLQUJJOND-NXEZZACHSA-N 0 3 193.294 2.030 20 0 AEADHN CC1(C)CCCN(Cc2cnc[nH]2)C1 335940678 352120005 /nfs/dbraw/zinc/12/00/05/352120005.db2.gz WYUKASLXDKNNCS-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN C[C@H]1C[C@@H](C)CN(Cc2ccno2)C1 335941789 352120083 /nfs/dbraw/zinc/12/00/83/352120083.db2.gz BYZQYZGAFPVCIP-AOOOYVTPSA-N 0 3 194.278 2.153 20 0 AEADHN C[C@@H]1C[C@@H](C)CN(Cc2ccno2)C1 335941790 352120245 /nfs/dbraw/zinc/12/02/45/352120245.db2.gz BYZQYZGAFPVCIP-NXEZZACHSA-N 0 3 194.278 2.153 20 0 AEADHN C[C@@H]1CN(Cc2c[nH]cn2)C(C)(C)C1 335944487 352120258 /nfs/dbraw/zinc/12/02/58/352120258.db2.gz IFWWYKKJQMYPMF-VIFPVBQESA-N 0 3 193.294 2.030 20 0 AEADHN C[C@H]1C[C@H](C)CN(Cc2ccno2)C1 335941791 352120308 /nfs/dbraw/zinc/12/03/08/352120308.db2.gz BYZQYZGAFPVCIP-UWVGGRQHSA-N 0 3 194.278 2.153 20 0 AEADHN CC(C)=CCN1CCOCC2(CC2)C1 335974973 352120916 /nfs/dbraw/zinc/12/09/16/352120916.db2.gz CILAMJKVFKUTDV-UHFFFAOYSA-N 0 3 195.306 2.065 20 0 AEADHN CC[C@@H](C(N)=O)N1CCCC2(CC2)C1 336066330 352124650 /nfs/dbraw/zinc/12/46/50/352124650.db2.gz LUWKHDDAFXNKGQ-VIFPVBQESA-N 0 3 196.294 2.176 20 0 AEADHN C[C@@H]1CCCN1CCc1cscn1 336194531 352129226 /nfs/dbraw/zinc/12/92/26/352129226.db2.gz MFACCZSOHZKTHN-SECBINFHSA-N 0 3 196.319 2.170 20 0 AEADHN C[C@@H]1CCN(CC(N)=O)CC12CCC2 336257707 352132982 /nfs/dbraw/zinc/13/29/82/352132982.db2.gz LDMOHQQLBLKFMR-SECBINFHSA-N 0 3 196.294 2.034 20 0 AEADHN C[C@@H]1CCC(C)(C)N1Cc1ccon1 336304242 352135482 /nfs/dbraw/zinc/13/54/82/352135482.db2.gz FAXPVLLFVOUBHS-SECBINFHSA-N 0 3 194.278 2.438 20 0 AEADHN C[C@@H]1CCC[C@@H](C)N1Cc1c[nH]cn1 336383942 352139296 /nfs/dbraw/zinc/13/92/96/352139296.db2.gz DCFWRUKWNPCCKN-NXEZZACHSA-N 0 3 193.294 2.173 20 0 AEADHN C[C@@H]1CCC[C@@H](C)N1Cc1cnc[nH]1 336383942 352139299 /nfs/dbraw/zinc/13/92/99/352139299.db2.gz DCFWRUKWNPCCKN-NXEZZACHSA-N 0 3 193.294 2.173 20 0 AEADHN C[C@@H]1CCN(Cc2ccno2)C[C@@H]1C 336371980 352139461 /nfs/dbraw/zinc/13/94/61/352139461.db2.gz WEIYMHGCQMSMPD-ZJUUUORDSA-N 0 3 194.278 2.153 20 0 AEADHN C[C@@H]1CN(Cc2ccno2)CC[C@H]1C 336371977 352139943 /nfs/dbraw/zinc/13/99/43/352139943.db2.gz WEIYMHGCQMSMPD-NXEZZACHSA-N 0 3 194.278 2.153 20 0 AEADHN C[C@@H]1c2cccn2CCN1CC1CC1 336467312 352142381 /nfs/dbraw/zinc/14/23/81/352142381.db2.gz ROCSFRHHLJZISM-SNVBAGLBSA-N 0 3 190.290 2.275 20 0 AEADHN C[C@@H]1CCCN(Cc2c[nH]cn2)[C@@H]1C 336573784 352148346 /nfs/dbraw/zinc/14/83/46/352148346.db2.gz WXGPDJSRHNNJOQ-NXEZZACHSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@@H]1CCCN(Cc2cnc[nH]2)[C@@H]1C 336573784 352148350 /nfs/dbraw/zinc/14/83/50/352148350.db2.gz WXGPDJSRHNNJOQ-NXEZZACHSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@@H]1CCCN1[C@H](C)c1cnccn1 336604232 352150508 /nfs/dbraw/zinc/15/05/08/352150508.db2.gz FGIVQFCBJHHTQU-NXEZZACHSA-N 0 3 191.278 2.022 20 0 AEADHN C[C@@H](c1cnccn1)N1CCC[C@H]1C 336604235 352150603 /nfs/dbraw/zinc/15/06/03/352150603.db2.gz FGIVQFCBJHHTQU-ZJUUUORDSA-N 0 3 191.278 2.022 20 0 AEADHN C[C@@H]1CCCN(Cc2ccncc2)C1 336603380 352150720 /nfs/dbraw/zinc/15/07/20/352150720.db2.gz OIFOFENNMLDFLX-LLVKDONJSA-N 0 3 190.290 2.314 20 0 AEADHN C[C@H]1C[C@@H](C)C[C@](N)(c2ncc[nH]2)C1 521401139 352163438 /nfs/dbraw/zinc/16/34/38/352163438.db2.gz HFEHNFQHGIVVBU-DOFRTFSJSA-N 0 3 193.294 2.020 20 0 AEADHN C[C@H]1C[C@H](C)CC[C@]1(N)c1ncc[nH]1 521401178 352163507 /nfs/dbraw/zinc/16/35/07/352163507.db2.gz HSJZOBAPYGXBQX-WCABBAIRSA-N 0 3 193.294 2.020 20 0 AEADHN C[C@@H]1CC[C@](N)(c2ncc[nH]2)[C@H](C)C1 521401170 352163767 /nfs/dbraw/zinc/16/37/67/352163767.db2.gz HSJZOBAPYGXBQX-FXPVBKGRSA-N 0 3 193.294 2.020 20 0 AEADHN C[C@@H]1CC(C)(C)C[C@]1(N)c1ncc[nH]1 521401559 352164037 /nfs/dbraw/zinc/16/40/37/352164037.db2.gz KSZVTXBGFCJELS-LDYMZIIASA-N 0 3 193.294 2.020 20 0 AEADHN C[C@@H]1CC(C)(C)C[C@@]1(N)c1ncc[nH]1 521401407 352164098 /nfs/dbraw/zinc/16/40/98/352164098.db2.gz KSZVTXBGFCJELS-KCJUWKMLSA-N 0 3 193.294 2.020 20 0 AEADHN CC[C@H]1CCC[C@@](N)(c2ncc[nH]2)C1 521401388 352164165 /nfs/dbraw/zinc/16/41/65/352164165.db2.gz KMIGMZRQESQDOP-ONGXEEELSA-N 0 3 193.294 2.164 20 0 AEADHN CC[C@@H]1CCC[C@@](N)(c2ncc[nH]2)C1 521401386 352164259 /nfs/dbraw/zinc/16/42/59/352164259.db2.gz KMIGMZRQESQDOP-KOLCDFICSA-N 0 3 193.294 2.164 20 0 AEADHN CC[C@H]1CCC[C@](N)(c2ncc[nH]2)C1 521401383 352164274 /nfs/dbraw/zinc/16/42/74/352164274.db2.gz KMIGMZRQESQDOP-GXSJLCMTSA-N 0 3 193.294 2.164 20 0 AEADHN C[C@H]1CC(C)(C)C[C@@]1(N)c1ncc[nH]1 521401557 352164285 /nfs/dbraw/zinc/16/42/85/352164285.db2.gz KSZVTXBGFCJELS-KWQFWETISA-N 0 3 193.294 2.020 20 0 AEADHN C[C@H]1CC(C)(C)C[C@]1(N)c1ncc[nH]1 521401404 352164317 /nfs/dbraw/zinc/16/43/17/352164317.db2.gz KSZVTXBGFCJELS-GZMMTYOYSA-N 0 3 193.294 2.020 20 0 AEADHN CC[C@@H]1CCC[C@](N)(c2ncc[nH]2)C1 521401387 352164328 /nfs/dbraw/zinc/16/43/28/352164328.db2.gz KMIGMZRQESQDOP-MWLCHTKSSA-N 0 3 193.294 2.164 20 0 AEADHN C[C@@H]1CC[C@](N)(c2ncc[nH]2)C[C@H]1C 521401865 352164655 /nfs/dbraw/zinc/16/46/55/352164655.db2.gz QPAHXAVKRRXGHN-FXPVBKGRSA-N 0 3 193.294 2.020 20 0 AEADHN C[C@H]1C[C@@](N)(c2ncc[nH]2)CC[C@H]1C 521401867 352164679 /nfs/dbraw/zinc/16/46/79/352164679.db2.gz QPAHXAVKRRXGHN-WCABBAIRSA-N 0 3 193.294 2.020 20 0 AEADHN C[C@H]1C[C@](N)(c2ncc[nH]2)CC[C@H]1C 521401868 352164766 /nfs/dbraw/zinc/16/47/66/352164766.db2.gz QPAHXAVKRRXGHN-YWVKMMECSA-N 0 3 193.294 2.020 20 0 AEADHN C[C@@H]1CC[C@@](N)(c2ncc[nH]2)C[C@H]1C 521401866 352164816 /nfs/dbraw/zinc/16/48/16/352164816.db2.gz QPAHXAVKRRXGHN-KKZNHRDASA-N 0 3 193.294 2.020 20 0 AEADHN CC[C@H]1CCCC[C@]1(N)c1ncc[nH]1 521402266 352165097 /nfs/dbraw/zinc/16/50/97/352165097.db2.gz ZKEJGEGUUWGUKU-GXSJLCMTSA-N 0 3 193.294 2.164 20 0 AEADHN CC[C@@H]1CCCC[C@@]1(N)c1ncc[nH]1 521402267 352165061 /nfs/dbraw/zinc/16/50/61/352165061.db2.gz ZKEJGEGUUWGUKU-KOLCDFICSA-N 0 3 193.294 2.164 20 0 AEADHN CC1(C)CCC[C@](N)(c2ncc[nH]2)C1 521402287 352165115 /nfs/dbraw/zinc/16/51/15/352165115.db2.gz ZTDMPFNSQKOUJY-LLVKDONJSA-N 0 3 193.294 2.164 20 0 AEADHN CC1(C)CCC[C@@](N)(c2ncc[nH]2)C1 521402288 352165121 /nfs/dbraw/zinc/16/51/21/352165121.db2.gz ZTDMPFNSQKOUJY-NSHDSACASA-N 0 3 193.294 2.164 20 0 AEADHN Cc1cc(CN2CCCCC2)ccn1 527534593 352166173 /nfs/dbraw/zinc/16/61/73/352166173.db2.gz VMVVEBOLXZMYAN-UHFFFAOYSA-N 0 3 190.290 2.376 20 0 AEADHN Cc1cc(CN(C)C2CCC2)ccn1 527534697 352166572 /nfs/dbraw/zinc/16/65/72/352166572.db2.gz PDMZJCZFJMXBKC-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN Cc1cc(CN(C)CC2CC2)ccn1 527534191 352166620 /nfs/dbraw/zinc/16/66/20/352166620.db2.gz MLFYKFJGNALCFY-UHFFFAOYSA-N 0 3 190.290 2.232 20 0 AEADHN CCN(Cc1ccnc(C)c1)C1CC1 527535553 352166912 /nfs/dbraw/zinc/16/69/12/352166912.db2.gz WFTZBYWDILVAGA-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN Cc1cc(CN2CC[C@H](C)C2)ccn1 527536024 352166924 /nfs/dbraw/zinc/16/69/24/352166924.db2.gz ZKJFZTMOGBRHSQ-JTQLQIEISA-N 0 3 190.290 2.232 20 0 AEADHN Cc1cc(CN2CC[C@@H](C)C2)ccn1 527536027 352166967 /nfs/dbraw/zinc/16/69/67/352166967.db2.gz ZKJFZTMOGBRHSQ-SNVBAGLBSA-N 0 3 190.290 2.232 20 0 AEADHN Cc1cc(CN[C@H]2CC2(C)C)ccn1 527721138 352168581 /nfs/dbraw/zinc/16/85/81/352168581.db2.gz QGDCUKCMAUAIAY-NSHDSACASA-N 0 3 190.290 2.278 20 0 AEADHN C1=CCC(CNCc2cscn2)C1 527750005 352168828 /nfs/dbraw/zinc/16/88/28/352168828.db2.gz CEMSVZUMMDRTPH-UHFFFAOYSA-N 0 3 194.303 2.199 20 0 AEADHN C[C@H](NCC1CC1)c1ncccc1F 527826272 352171918 /nfs/dbraw/zinc/17/19/18/352171918.db2.gz KJLHZHNSNCPFBU-QMMMGPOBSA-N 0 3 194.253 2.281 20 0 AEADHN CC(C)N[C@@H](C)c1ncccc1F 528035609 352175628 /nfs/dbraw/zinc/17/56/28/352175628.db2.gz IEGUGXFXMXOEFK-QMMMGPOBSA-N 0 3 182.242 2.280 20 0 AEADHN C/C(Cl)=C/CN(C)CC1CC1 528356770 352176173 /nfs/dbraw/zinc/17/61/73/352176173.db2.gz MSWKLVAHGVNGAR-YVMONPNESA-N 0 3 173.687 2.471 20 0 AEADHN C/C(Cl)=C/CN1CC[C@@H](C)C1 528362558 352176288 /nfs/dbraw/zinc/17/62/88/352176288.db2.gz FLPBBBXZLNZBBI-HMXLAXJASA-N 0 3 173.687 2.471 20 0 AEADHN C/C(Cl)=C\CN1CC[C@@H](C)C1 528362561 352176513 /nfs/dbraw/zinc/17/65/13/352176513.db2.gz FLPBBBXZLNZBBI-SXPLAPADSA-N 0 3 173.687 2.471 20 0 AEADHN C/C(Cl)=C/CN1CC[C@H](C)C1 528362564 352176613 /nfs/dbraw/zinc/17/66/13/352176613.db2.gz FLPBBBXZLNZBBI-ZKUGPGMGSA-N 0 3 173.687 2.471 20 0 AEADHN C/C(Cl)=C\CN1CC[C@H](C)C1 528362555 352176684 /nfs/dbraw/zinc/17/66/84/352176684.db2.gz FLPBBBXZLNZBBI-DHFUWRPHSA-N 0 3 173.687 2.471 20 0 AEADHN C/C(Cl)=C\CN(C)CC1CC1 528356769 352176977 /nfs/dbraw/zinc/17/69/77/352176977.db2.gz MSWKLVAHGVNGAR-VMPITWQZSA-N 0 3 173.687 2.471 20 0 AEADHN C/C(Cl)=C/CN1C[C@H](C)[C@@H]1C 528513128 352179391 /nfs/dbraw/zinc/17/93/91/352179391.db2.gz PTWVZIPZPLRVDJ-TYANFPATSA-N 0 3 173.687 2.469 20 0 AEADHN C/C(Cl)=C\CN1C[C@H](C)[C@H]1C 528513133 352179502 /nfs/dbraw/zinc/17/95/02/352179502.db2.gz PTWVZIPZPLRVDJ-VPTUDDBQSA-N 0 3 173.687 2.469 20 0 AEADHN C/C(Cl)=C\CN1C[C@H](C)[C@@H]1C 528513130 352179808 /nfs/dbraw/zinc/17/98/08/352179808.db2.gz PTWVZIPZPLRVDJ-UPZXOSSISA-N 0 3 173.687 2.469 20 0 AEADHN C/C(Cl)=C/CN1C[C@H](C)[C@H]1C 528513135 352179913 /nfs/dbraw/zinc/17/99/13/352179913.db2.gz PTWVZIPZPLRVDJ-ZFOYQSGISA-N 0 3 173.687 2.469 20 0 AEADHN C[C@H]1CC(F)(F)CCN1CCCF 528768208 352181532 /nfs/dbraw/zinc/18/15/32/352181532.db2.gz OFYNPBWZJXXUFJ-QMMMGPOBSA-N 0 3 195.228 2.466 20 0 AEADHN C[C@@H]1CC(F)(F)CCN1CCCF 528768207 352181630 /nfs/dbraw/zinc/18/16/30/352181630.db2.gz OFYNPBWZJXXUFJ-MRVPVSSYSA-N 0 3 195.228 2.466 20 0 AEADHN CCN1CCC(F)(F)C[C@H]1C 528767055 352181777 /nfs/dbraw/zinc/18/17/77/352181777.db2.gz LEXNLCLBSGDDKZ-SSDOTTSWSA-N 0 3 163.211 2.126 20 0 AEADHN CCN1CCC(F)(F)C[C@@H]1C 528767066 352181821 /nfs/dbraw/zinc/18/18/21/352181821.db2.gz LEXNLCLBSGDDKZ-ZETCQYMHSA-N 0 3 163.211 2.126 20 0 AEADHN Fc1ccc(CNCC2CCC2)nc1 529534303 352182484 /nfs/dbraw/zinc/18/24/84/352182484.db2.gz VTGXAOCBQCJXMG-UHFFFAOYSA-N 0 3 194.253 2.110 20 0 AEADHN Cc1cc(CNCC2CC=CC2)no1 529640249 352183483 /nfs/dbraw/zinc/18/34/83/352183483.db2.gz JJJCCIAHWRUWLO-UHFFFAOYSA-N 0 3 192.262 2.039 20 0 AEADHN CC(C)C[C@@H]1C[C@@H](C)N(C)[C@H](O)C1 536951035 352190745 /nfs/dbraw/zinc/19/07/45/352190745.db2.gz ZTLALMUYSGNJSC-GMTAPVOTSA-N 0 3 185.311 2.081 20 0 AEADHN CCCC[C@@H]1C[C@@H](C)N(C)[C@H](O)C1 536950658 352190051 /nfs/dbraw/zinc/19/00/51/352190051.db2.gz QPLWJYXOMPQQOL-GMTAPVOTSA-N 0 3 185.311 2.225 20 0 AEADHN CCCC[C@@H]1C[C@H](C)N(C)[C@@H](O)C1 536950654 352190294 /nfs/dbraw/zinc/19/02/94/352190294.db2.gz QPLWJYXOMPQQOL-AXFHLTTASA-N 0 3 185.311 2.225 20 0 AEADHN CCCC[C@H]1C[C@H](O)N(C)[C@H](C)C1 536950660 352190383 /nfs/dbraw/zinc/19/03/83/352190383.db2.gz QPLWJYXOMPQQOL-MXWKQRLJSA-N 0 3 185.311 2.225 20 0 AEADHN CCCC[C@@H]1C[C@H](C)N(C)[C@H](O)C1 536950659 352190476 /nfs/dbraw/zinc/19/04/76/352190476.db2.gz QPLWJYXOMPQQOL-HBNTYKKESA-N 0 3 185.311 2.225 20 0 AEADHN CC(C)C[C@@H]1C[C@H](C)N(C)[C@@H](O)C1 536951032 352190659 /nfs/dbraw/zinc/19/06/59/352190659.db2.gz ZTLALMUYSGNJSC-AXFHLTTASA-N 0 3 185.311 2.081 20 0 AEADHN CC(C)C[C@@H]1C[C@H](C)N(C)[C@H](O)C1 536951036 352190730 /nfs/dbraw/zinc/19/07/30/352190730.db2.gz ZTLALMUYSGNJSC-HBNTYKKESA-N 0 3 185.311 2.081 20 0 AEADHN CC(C)C[C@H]1C[C@H](O)N(C)[C@H](C)C1 536951037 352190802 /nfs/dbraw/zinc/19/08/02/352190802.db2.gz ZTLALMUYSGNJSC-MXWKQRLJSA-N 0 3 185.311 2.081 20 0 AEADHN Cc1ccc2c(c1)[C@@H](N)[C@@H](F)CC2 536952757 352191409 /nfs/dbraw/zinc/19/14/09/352191409.db2.gz FOEAPQMFLORFBN-WDEREUQCSA-N 0 3 179.238 2.279 20 0 AEADHN Cc1c(Cl)ncc(CN)c1Cl 575442325 352205977 /nfs/dbraw/zinc/20/59/77/352205977.db2.gz VDIDESADWQZZII-UHFFFAOYSA-N 0 3 191.061 2.156 20 0 AEADHN COCCN(C)Cc1ccc(C)s1 590296025 352912622 /nfs/dbraw/zinc/91/26/22/352912622.db2.gz PBEXSHWVODHAKU-UHFFFAOYSA-N 0 3 199.319 2.135 20 0 AEADHN CCCN(Cc1cccnc1)C1CC1 590966478 352915407 /nfs/dbraw/zinc/91/54/07/352915407.db2.gz OFUHXNCGBBRXBZ-UHFFFAOYSA-N 0 3 190.290 2.456 20 0 AEADHN C[C@@H]1CN(CCC2CCCC2)CCO1 607725949 352926437 /nfs/dbraw/zinc/92/64/37/352926437.db2.gz QALODQIGEIQPPA-LLVKDONJSA-N 0 3 197.322 2.287 20 0 AEADHN C[C@H]1CN(CCC2CCCC2)CCO1 607725950 352926493 /nfs/dbraw/zinc/92/64/93/352926493.db2.gz QALODQIGEIQPPA-NSHDSACASA-N 0 3 197.322 2.287 20 0 AEADHN CC(C)SCCN1CC=CCC1 619781272 352933456 /nfs/dbraw/zinc/93/34/56/352933456.db2.gz ITSFIWUBSZQGLR-UHFFFAOYSA-N 0 3 185.336 2.390 20 0 AEADHN CCCN1C[C@@H](CC)O[C@H](CC)C1 643253935 352940785 /nfs/dbraw/zinc/94/07/85/352940785.db2.gz ASPHVYUWBDSSSU-GHMZBOCLSA-N 0 3 185.311 2.286 20 0 AEADHN CC[C@H]1CN(CC2CC2)C[C@H](CC)O1 643253998 352941314 /nfs/dbraw/zinc/94/13/14/352941314.db2.gz GJZGTXRCHXZTMB-RYUDHWBXSA-N 0 3 197.322 2.286 20 0 AEADHN CCCN1C[C@H](CC)O[C@H](CC)C1 643253936 352941618 /nfs/dbraw/zinc/94/16/18/352941618.db2.gz ASPHVYUWBDSSSU-PHIMTYICSA-N 0 3 185.311 2.286 20 0 AEADHN CCCN1C[C@H](CC)O[C@@H](CC)C1 643253937 352941645 /nfs/dbraw/zinc/94/16/45/352941645.db2.gz ASPHVYUWBDSSSU-QWRGUYRKSA-N 0 3 185.311 2.286 20 0 AEADHN CC[C@@H]1CN(CC2CC2)C[C@@H](CC)O1 643254000 352941669 /nfs/dbraw/zinc/94/16/69/352941669.db2.gz GJZGTXRCHXZTMB-VXGBXAGGSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@H]1CN(CC2CC2)C[C@@H](CC)O1 643253999 352941702 /nfs/dbraw/zinc/94/17/02/352941702.db2.gz GJZGTXRCHXZTMB-TXEJJXNPSA-N 0 3 197.322 2.286 20 0 AEADHN CCc1nocc1CNC1CC=CC1 643291006 352944008 /nfs/dbraw/zinc/94/40/08/352944008.db2.gz RJOIBQGEZSLOQC-UHFFFAOYSA-N 0 3 192.262 2.045 20 0 AEADHN CCN(Cc1cn[nH]c1)CC(C)(C)C 643355258 352949348 /nfs/dbraw/zinc/94/93/48/352949348.db2.gz YDAPSCDCGZBRCJ-UHFFFAOYSA-N 0 3 195.310 2.278 20 0 AEADHN CCN(Cc1c[nH]cn1)CC(C)(C)C 643409399 352950975 /nfs/dbraw/zinc/95/09/75/352950975.db2.gz YGJHXLAWFGDUHC-UHFFFAOYSA-N 0 3 195.310 2.278 20 0 AEADHN CCN(Cc1cnc[nH]1)CC(C)(C)C 643409399 352950976 /nfs/dbraw/zinc/95/09/76/352950976.db2.gz YGJHXLAWFGDUHC-UHFFFAOYSA-N 0 3 195.310 2.278 20 0 AEADHN COC1(C)CN(C[C@H](C)CC(C)C)C1 643884623 353008798 /nfs/dbraw/zinc/00/87/98/353008798.db2.gz UEVKZVCJTLWTSY-LLVKDONJSA-N 0 3 199.338 2.389 20 0 AEADHN COC1(C)CN(C[C@@H](C)CC(C)C)C1 643884624 353009096 /nfs/dbraw/zinc/00/90/96/353009096.db2.gz UEVKZVCJTLWTSY-NSHDSACASA-N 0 3 199.338 2.389 20 0 AEADHN Cc1ccc(SCC(=N)NO)cc1 17185693 371622307 /nfs/dbraw/zinc/62/23/07/371622307.db2.gz OVWQJYAGYNUWBN-UHFFFAOYSA-N 0 3 196.275 2.043 20 0 AEADHN C[C@@H]1CCCC[C@H]1N1CCC(=O)CC1 19519191 371628772 /nfs/dbraw/zinc/62/87/72/371628772.db2.gz NFECKELWIGFNAJ-ZYHUDNBSSA-N 0 3 195.306 2.230 20 0 AEADHN C[C@@H]1CCCC[C@@H]1N1CCC(=O)CC1 19519189 371628873 /nfs/dbraw/zinc/62/88/73/371628873.db2.gz NFECKELWIGFNAJ-PWSUYJOCSA-N 0 3 195.306 2.230 20 0 AEADHN Cc1cc(CN(C)C(C)(C)C)on1 200643444 371701717 /nfs/dbraw/zinc/70/17/17/371701717.db2.gz KDVNBSVBXFFNPV-UHFFFAOYSA-N 0 3 182.267 2.213 20 0 AEADHN CC(C)N1CCO[C@H](C(C)(C)C)C1 222652227 371716657 /nfs/dbraw/zinc/71/66/57/371716657.db2.gz LGKNOLHJSXHHRZ-JTQLQIEISA-N 0 3 185.311 2.142 20 0 AEADHN CC(C)N1CCO[C@@H](C(C)(C)C)C1 222652283 371716681 /nfs/dbraw/zinc/71/66/81/371716681.db2.gz LGKNOLHJSXHHRZ-SNVBAGLBSA-N 0 3 185.311 2.142 20 0 AEADHN CC(C)CN1CC2(CCC2(F)F)C1 307010496 371770652 /nfs/dbraw/zinc/77/06/52/371770652.db2.gz IVODLDWLOBMZJI-UHFFFAOYSA-N 0 3 189.249 2.374 20 0 AEADHN CC[C@H](NCc1ccno1)[C@H]1C[C@@H]1C 321119941 371790545 /nfs/dbraw/zinc/79/05/45/371790545.db2.gz RWBPFWRVZOJJIS-LSJOCFKGSA-N 0 3 194.278 2.199 20 0 AEADHN CC[C@H](NCc1ccno1)[C@H]1C[C@H]1C 321119942 371790942 /nfs/dbraw/zinc/79/09/42/371790942.db2.gz RWBPFWRVZOJJIS-MIMYLULJSA-N 0 3 194.278 2.199 20 0 AEADHN CC[C@H](NCc1ccno1)[C@@H]1C[C@H]1C 321119940 371790978 /nfs/dbraw/zinc/79/09/78/371790978.db2.gz RWBPFWRVZOJJIS-IEBDPFPHSA-N 0 3 194.278 2.199 20 0 AEADHN CC[C@H](NCc1ccno1)[C@@H]1C[C@@H]1C 321119939 371791127 /nfs/dbraw/zinc/79/11/27/371791127.db2.gz RWBPFWRVZOJJIS-GDPRMGEGSA-N 0 3 194.278 2.199 20 0 AEADHN CC[C@@H](NCc1ncc[nH]1)C1CCC1 322845937 371792709 /nfs/dbraw/zinc/79/27/09/371792709.db2.gz NPKAILNXKDFSBE-SNVBAGLBSA-N 0 3 193.294 2.078 20 0 AEADHN CC[C@H](NCc1ncc[nH]1)C1CCC1 322845936 371792720 /nfs/dbraw/zinc/79/27/20/371792720.db2.gz NPKAILNXKDFSBE-JTQLQIEISA-N 0 3 193.294 2.078 20 0 AEADHN Cc1cc(CN2[C@@H](C)CC[C@H]2C)on1 334140636 371797781 /nfs/dbraw/zinc/79/77/81/371797781.db2.gz ARTTZUIGYFCXNS-AOOOYVTPSA-N 0 3 194.278 2.356 20 0 AEADHN Cc1cc(CN2[C@H](C)CC[C@H]2C)on1 334140637 371798337 /nfs/dbraw/zinc/79/83/37/371798337.db2.gz ARTTZUIGYFCXNS-NXEZZACHSA-N 0 3 194.278 2.356 20 0 AEADHN Cc1cc(CN2[C@@H](C)CC[C@@H]2C)on1 334140638 371798421 /nfs/dbraw/zinc/79/84/21/371798421.db2.gz ARTTZUIGYFCXNS-UWVGGRQHSA-N 0 3 194.278 2.356 20 0 AEADHN C[C@H]1CCCN(Cc2cc[nH]n2)[C@@H]1C 334219008 371799692 /nfs/dbraw/zinc/79/96/92/371799692.db2.gz FIWGQFARZZJUGT-VHSXEESVSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@H]1CCCN(Cc2cc[nH]n2)[C@H]1C 334219005 371799943 /nfs/dbraw/zinc/79/99/43/371799943.db2.gz FIWGQFARZZJUGT-UWVGGRQHSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@H]1[C@H](C)CCCN1Cc1cc[nH]n1 334219011 371799966 /nfs/dbraw/zinc/79/99/66/371799966.db2.gz FIWGQFARZZJUGT-ZJUUUORDSA-N 0 3 193.294 2.030 20 0 AEADHN CCc1nc(C)c(CN(CC)CC)o1 644656199 371894175 /nfs/dbraw/zinc/89/41/75/371894175.db2.gz IDCJKEPPGMSIGQ-UHFFFAOYSA-N 0 3 196.294 2.387 20 0 AEADHN CCCN(C)Cc1oc(CC)nc1C 644661637 371896471 /nfs/dbraw/zinc/89/64/71/371896471.db2.gz YGVGGDYFGWOKBO-UHFFFAOYSA-N 0 3 196.294 2.387 20 0 AEADHN C[C@H]1[C@@H](C)OCCN1CC1(C)CCC1 644996907 371938798 /nfs/dbraw/zinc/93/87/98/371938798.db2.gz UCRLENTVCRSDHK-WDEREUQCSA-N 0 3 197.322 2.286 20 0 AEADHN COCC(C)(C)N(C)Cc1ccco1 644841416 371921135 /nfs/dbraw/zinc/92/11/35/371921135.db2.gz POWNZXKYCBCAGY-UHFFFAOYSA-N 0 3 197.278 2.136 20 0 AEADHN C[C@H](CN1CCO[C@H]2C[C@H]21)C(C)(C)C 644837609 371921159 /nfs/dbraw/zinc/92/11/59/371921159.db2.gz LIJUPMLSNRKQBL-MXWKQRLJSA-N 0 3 197.322 2.142 20 0 AEADHN C[C@H](CN1CCO[C@@H]2C[C@@H]21)C(C)(C)C 644837610 371921228 /nfs/dbraw/zinc/92/12/28/371921228.db2.gz LIJUPMLSNRKQBL-OUAUKWLOSA-N 0 3 197.322 2.142 20 0 AEADHN CC[C@H]1CCN1Cc1ccc(O)cc1 644843651 371922288 /nfs/dbraw/zinc/92/22/88/371922288.db2.gz GTPLWSQTHMUYRL-NSHDSACASA-N 0 3 191.274 2.377 20 0 AEADHN CC[C@@H]1CCN1Cc1ccc(O)cc1 644843650 371922873 /nfs/dbraw/zinc/92/28/73/371922873.db2.gz GTPLWSQTHMUYRL-LLVKDONJSA-N 0 3 191.274 2.377 20 0 AEADHN CCCN(C)Cc1cncn1C(C)C 644900721 371925741 /nfs/dbraw/zinc/92/57/41/371925741.db2.gz IJEPTWBMAGGVQW-UHFFFAOYSA-N 0 3 195.310 2.306 20 0 AEADHN CC(C)N(C)Cc1cncn1C(C)C 644900292 371925797 /nfs/dbraw/zinc/92/57/97/371925797.db2.gz CNWGYVNCNRMULF-UHFFFAOYSA-N 0 3 195.310 2.304 20 0 AEADHN C[C@@H]1C[C@@H]1CN1CC(CC(F)F)C1 644906794 371927575 /nfs/dbraw/zinc/92/75/75/371927575.db2.gz JVQRJZPJCWIPQF-VXNVDRBHSA-N 0 3 189.249 2.229 20 0 AEADHN C[C@H]1C[C@H]1CN1CC(CC(F)F)C1 644906792 371926585 /nfs/dbraw/zinc/92/65/85/371926585.db2.gz JVQRJZPJCWIPQF-CBAPKCEASA-N 0 3 189.249 2.229 20 0 AEADHN C[C@@H]1CCN(Cc2cn[nH]c2)[C@H](C)C1 644906131 371926655 /nfs/dbraw/zinc/92/66/55/371926655.db2.gz YEWSURAWXVUFNM-NXEZZACHSA-N 0 3 193.294 2.030 20 0 AEADHN C[C@H]1C[C@@H]1CN1CC(CC(F)F)C1 644906793 371926879 /nfs/dbraw/zinc/92/68/79/371926879.db2.gz JVQRJZPJCWIPQF-IONNQARKSA-N 0 3 189.249 2.229 20 0 AEADHN CC(C)CN1CC(CC(F)F)C1 644906908 371927409 /nfs/dbraw/zinc/92/74/09/371927409.db2.gz VVAMTTFTSWPCHI-UHFFFAOYSA-N 0 3 177.238 2.229 20 0 AEADHN C[C@@H]1C[C@H]1CN1CC(CC(F)F)C1 644906790 371927776 /nfs/dbraw/zinc/92/77/76/371927776.db2.gz JVQRJZPJCWIPQF-APPZFPTMSA-N 0 3 189.249 2.229 20 0 AEADHN CC1(CN2CCOCC2(C)C)CCC1 644991052 371936542 /nfs/dbraw/zinc/93/65/42/371936542.db2.gz NBCRBYCXNHIEPH-UHFFFAOYSA-N 0 3 197.322 2.287 20 0 AEADHN C[C@@H]1OCCN(CC2(C)CCC2)[C@@H]1C 644996905 371938020 /nfs/dbraw/zinc/93/80/20/371938020.db2.gz UCRLENTVCRSDHK-MNOVXSKESA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1OCCN(CC2(C)CCC2)[C@@H]1C 644996904 371938161 /nfs/dbraw/zinc/93/81/61/371938161.db2.gz UCRLENTVCRSDHK-GHMZBOCLSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@@H]1OCCN(CC2(C)CCC2)[C@H]1C 644996906 371938689 /nfs/dbraw/zinc/93/86/89/371938689.db2.gz UCRLENTVCRSDHK-QWRGUYRKSA-N 0 3 197.322 2.286 20 0 AEADHN F[C@H]1CCN(CC2=CCCC2)C1 645925114 371971310 /nfs/dbraw/zinc/97/13/10/371971310.db2.gz WOJBONJJDKIHAR-JTQLQIEISA-N 0 3 169.243 2.141 20 0 AEADHN CC(C)C[C@H](C)CN1CCO[C@H](C)C1 645219888 371954145 /nfs/dbraw/zinc/95/41/45/371954145.db2.gz PQVOCCFOZHEQLF-NWDGAFQWSA-N 0 3 199.338 2.389 20 0 AEADHN CCCCN(C)Cc1conc1CC 645226900 371955375 /nfs/dbraw/zinc/95/53/75/371955375.db2.gz IIFQUJAENQCHMU-UHFFFAOYSA-N 0 3 196.294 2.469 20 0 AEADHN CC(C)C[C@@H](C)CN1CCO[C@H](C)C1 645219889 371955397 /nfs/dbraw/zinc/95/53/97/371955397.db2.gz PQVOCCFOZHEQLF-VXGBXAGGSA-N 0 3 199.338 2.389 20 0 AEADHN CCc1nocc1CN(C)[C@@H](C)CC 645228384 371955430 /nfs/dbraw/zinc/95/54/30/371955430.db2.gz VROKAKLXIKCZPX-VIFPVBQESA-N 0 3 196.294 2.467 20 0 AEADHN C[C@H]1CN(CC2CCCCC2)CCO1 645225265 371955473 /nfs/dbraw/zinc/95/54/73/371955473.db2.gz KJZUBRIQXYQILC-NSHDSACASA-N 0 3 197.322 2.287 20 0 AEADHN CC(C)C[C@H](C)CN1CCO[C@@H](C)C1 645225061 371955660 /nfs/dbraw/zinc/95/56/60/371955660.db2.gz PQVOCCFOZHEQLF-RYUDHWBXSA-N 0 3 199.338 2.389 20 0 AEADHN CC(C)C[C@@H](C)CN1CCO[C@@H](C)C1 645225060 371955703 /nfs/dbraw/zinc/95/57/03/371955703.db2.gz PQVOCCFOZHEQLF-NEPJUHHUSA-N 0 3 199.338 2.389 20 0 AEADHN CCc1nocc1CN(C)[C@H](C)CC 645228383 371955763 /nfs/dbraw/zinc/95/57/63/371955763.db2.gz VROKAKLXIKCZPX-SECBINFHSA-N 0 3 196.294 2.467 20 0 AEADHN C[C@@H]1CN(CC2CCCCC2)CCO1 645223327 371956235 /nfs/dbraw/zinc/95/62/35/371956235.db2.gz KJZUBRIQXYQILC-LLVKDONJSA-N 0 3 197.322 2.287 20 0 AEADHN CCc1nocc1CN(C)CC1CC1 645227157 371956262 /nfs/dbraw/zinc/95/62/62/371956262.db2.gz ZYZXFUUJSNWVGY-UHFFFAOYSA-N 0 3 194.278 2.079 20 0 AEADHN C[C@H]1CN(CC2=CCCC2)[C@@H](C)CO1 645771221 371962801 /nfs/dbraw/zinc/96/28/01/371962801.db2.gz LQWLGVSPPWWGIR-QWRGUYRKSA-N 0 3 195.306 2.206 20 0 AEADHN C[C@H]1CO[C@H](C)CN1CC1=CCCC1 645771222 371963051 /nfs/dbraw/zinc/96/30/51/371963051.db2.gz LQWLGVSPPWWGIR-WDEREUQCSA-N 0 3 195.306 2.206 20 0 AEADHN C[C@H]1CN(CC2=CCCC2)C[C@@H](C)O1 645767014 371963567 /nfs/dbraw/zinc/96/35/67/371963567.db2.gz OUUGDAMVQBLTRO-PHIMTYICSA-N 0 3 195.306 2.206 20 0 AEADHN CC1(C)CN(CC2=CCCC2)CCO1 645766733 371963844 /nfs/dbraw/zinc/96/38/44/371963844.db2.gz YQJSYCJHYNVDNG-UHFFFAOYSA-N 0 3 195.306 2.208 20 0 AEADHN C[C@@H]1CN(CC2=CCCC2)[C@H](C)CO1 645771219 371963878 /nfs/dbraw/zinc/96/38/78/371963878.db2.gz LQWLGVSPPWWGIR-GHMZBOCLSA-N 0 3 195.306 2.206 20 0 AEADHN C[C@H]1CN(CC2=CCCC2)[C@H](C)CO1 645771220 371963951 /nfs/dbraw/zinc/96/39/51/371963951.db2.gz LQWLGVSPPWWGIR-MNOVXSKESA-N 0 3 195.306 2.206 20 0 AEADHN C1=C(CN2CCSCC2)CCC1 645777284 371965415 /nfs/dbraw/zinc/96/54/15/371965415.db2.gz YQBJLHPODCGKAT-UHFFFAOYSA-N 0 3 183.320 2.146 20 0 AEADHN Cc1cccc(CCN(C)C2CC2)n1 645776964 371965712 /nfs/dbraw/zinc/96/57/12/371965712.db2.gz CJCADYSTXSLDEC-UHFFFAOYSA-N 0 3 190.290 2.027 20 0 AEADHN CC1(C)COCCN1CC1=CCCC1 645781216 371965938 /nfs/dbraw/zinc/96/59/38/371965938.db2.gz LSDRMRKZUNCHFD-UHFFFAOYSA-N 0 3 195.306 2.208 20 0 AEADHN CC[C@@H]1COCCN1CC1=CCCC1 645803843 371966811 /nfs/dbraw/zinc/96/68/11/371966811.db2.gz JSXZBQXAMMBTEW-GFCCVEGCSA-N 0 3 195.306 2.208 20 0 AEADHN CC[C@H]1COCCN1CC1=CCCC1 645803844 371967213 /nfs/dbraw/zinc/96/72/13/371967213.db2.gz JSXZBQXAMMBTEW-LBPRGKRZSA-N 0 3 195.306 2.208 20 0 AEADHN CCOCCN(C)CC1=CCCC1 645845498 371968964 /nfs/dbraw/zinc/96/89/64/371968964.db2.gz KISZQLBQMNYJOF-UHFFFAOYSA-N 0 3 183.295 2.065 20 0 AEADHN COCC1(N(C)CC2=CCCC2)CC1 645842378 371969236 /nfs/dbraw/zinc/96/92/36/371969236.db2.gz LDURCRMSQDFXGQ-UHFFFAOYSA-N 0 3 195.306 2.208 20 0 AEADHN F[C@@H]1CCN(CC2=CCCC2)C1 645925115 371970281 /nfs/dbraw/zinc/97/02/81/371970281.db2.gz WOJBONJJDKIHAR-SNVBAGLBSA-N 0 3 169.243 2.141 20 0 AEADHN CC(C)=CCN1CC[C@@H](OC(C)C)C1 645944696 371972744 /nfs/dbraw/zinc/97/27/44/371972744.db2.gz VVKGPKKNFOFFCD-GFCCVEGCSA-N 0 3 197.322 2.452 20 0 AEADHN CC[C@@H](C)NCc1csc(C)n1 20252808 375289269 /nfs/dbraw/zinc/28/92/69/375289269.db2.gz IVAPMJXKZYJNHS-SSDOTTSWSA-N 0 3 184.308 2.340 20 0 AEADHN C[C@@H](NC1CCCC1)c1nccn1C 70007216 375319434 /nfs/dbraw/zinc/31/94/34/375319434.db2.gz GISRQIPIPAPOML-SECBINFHSA-N 0 3 193.294 2.013 20 0 AEADHN C[C@H](NC1CCCC1)c1nccn1C 70007214 375319715 /nfs/dbraw/zinc/31/97/15/375319715.db2.gz GISRQIPIPAPOML-VIFPVBQESA-N 0 3 193.294 2.013 20 0 AEADHN C[C@@H](NC1CCCC1)c1cnccn1 70024391 375320680 /nfs/dbraw/zinc/32/06/80/375320680.db2.gz MBGMCYWJKKVFGA-SECBINFHSA-N 0 3 191.278 2.070 20 0 AEADHN Cc1noc(C)c1CN[C@H]1CC1(C)C 70125254 375320726 /nfs/dbraw/zinc/32/07/26/375320726.db2.gz BJGOPRWFRHTAQJ-JTQLQIEISA-N 0 3 194.278 2.180 20 0 AEADHN Cc1noc(C)c1CN[C@@H]1CC1(C)C 70125251 375320974 /nfs/dbraw/zinc/32/09/74/375320974.db2.gz BJGOPRWFRHTAQJ-SNVBAGLBSA-N 0 3 194.278 2.180 20 0 AEADHN C[C@H](N[C@H]1CCOC1)c1cccs1 70964943 375340808 /nfs/dbraw/zinc/34/08/08/375340808.db2.gz YNOWCBLFFPRVSF-IUCAKERBSA-N 0 3 197.303 2.188 20 0 AEADHN C[C@H]1CC[C@@H](NCc2nccs2)C1 70643598 375335900 /nfs/dbraw/zinc/33/59/00/375335900.db2.gz UBIZKWLXGBHAFB-DTWKUNHWSA-N 0 3 196.319 2.421 20 0 AEADHN C[C@H](NC1CCC1)c1nccs1 70634077 375336064 /nfs/dbraw/zinc/33/60/64/375336064.db2.gz NNBCCHRBBBQKFP-ZETCQYMHSA-N 0 3 182.292 2.346 20 0 AEADHN C[C@@H]1CC[C@@H](NCc2nccs2)C1 70643597 375336365 /nfs/dbraw/zinc/33/63/65/375336365.db2.gz UBIZKWLXGBHAFB-RKDXNWHRSA-N 0 3 196.319 2.421 20 0 AEADHN C[C@H]1CC[C@H](NCc2nccs2)C1 70643596 375336560 /nfs/dbraw/zinc/33/65/60/375336560.db2.gz UBIZKWLXGBHAFB-IUCAKERBSA-N 0 3 196.319 2.421 20 0 AEADHN Cc1cc(CN[C@H]2CC[C@H](C)C2)on1 70643797 375336588 /nfs/dbraw/zinc/33/65/88/375336588.db2.gz VZWDSZUBQWEJNV-WPRPVWTQSA-N 0 3 194.278 2.261 20 0 AEADHN C[C@@H]1CC[C@H](NCc2nccs2)C1 70643595 375336608 /nfs/dbraw/zinc/33/66/08/375336608.db2.gz UBIZKWLXGBHAFB-BDAKNGLRSA-N 0 3 196.319 2.421 20 0 AEADHN Cc1cc(CN[C@H]2CC[C@@H](C)C2)on1 70643802 375336647 /nfs/dbraw/zinc/33/66/47/375336647.db2.gz VZWDSZUBQWEJNV-SCZZXKLOSA-N 0 3 194.278 2.261 20 0 AEADHN C[C@@H](NC1CCC1)c1nccs1 70634078 375336705 /nfs/dbraw/zinc/33/67/05/375336705.db2.gz NNBCCHRBBBQKFP-SSDOTTSWSA-N 0 3 182.292 2.346 20 0 AEADHN Cc1cc(CN[C@@H]2CC[C@H](C)C2)on1 70643795 375336727 /nfs/dbraw/zinc/33/67/27/375336727.db2.gz VZWDSZUBQWEJNV-WCBMZHEXSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1cc(CN[C@@H]2CC[C@@H](C)C2)on1 70643800 375336751 /nfs/dbraw/zinc/33/67/51/375336751.db2.gz VZWDSZUBQWEJNV-PSASIEDQSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1ncsc1CNC1CCC1 70837011 375339556 /nfs/dbraw/zinc/33/95/56/375339556.db2.gz OQFANIOWQUMXGP-UHFFFAOYSA-N 0 3 182.292 2.094 20 0 AEADHN C[C@H](N[C@@H]1CCOC1)c1cccs1 70964934 375340939 /nfs/dbraw/zinc/34/09/39/375340939.db2.gz YNOWCBLFFPRVSF-DTWKUNHWSA-N 0 3 197.303 2.188 20 0 AEADHN C[C@H]1CCC[C@@H]1NCc1cscn1 70916676 375340954 /nfs/dbraw/zinc/34/09/54/375340954.db2.gz HHKHEXASGZJPEC-WPRPVWTQSA-N 0 3 196.319 2.421 20 0 AEADHN C[C@@H]1CCC[C@H]1NCc1cscn1 70916679 375340980 /nfs/dbraw/zinc/34/09/80/375340980.db2.gz HHKHEXASGZJPEC-PSASIEDQSA-N 0 3 196.319 2.421 20 0 AEADHN C[C@@H](N[C@@H]1CCOC1)c1cccs1 70964937 375341223 /nfs/dbraw/zinc/34/12/23/375341223.db2.gz YNOWCBLFFPRVSF-RKDXNWHRSA-N 0 3 197.303 2.188 20 0 AEADHN C[C@H]1CCC[C@H]1NCc1cscn1 70916683 375341258 /nfs/dbraw/zinc/34/12/58/375341258.db2.gz HHKHEXASGZJPEC-WCBMZHEXSA-N 0 3 196.319 2.421 20 0 AEADHN C[C@@H](N[C@H]1CCOC1)c1cccs1 70964947 375341297 /nfs/dbraw/zinc/34/12/97/375341297.db2.gz YNOWCBLFFPRVSF-BDAKNGLRSA-N 0 3 197.303 2.188 20 0 AEADHN c1cc(CN[C@H]2CCCOC2)cs1 71011148 375342891 /nfs/dbraw/zinc/34/28/91/375342891.db2.gz ABMOCSRCJDNYEE-JTQLQIEISA-N 0 3 197.303 2.017 20 0 AEADHN C[C@@H]1CCC[C@H]1NCc1nccs1 82433051 375360228 /nfs/dbraw/zinc/36/02/28/375360228.db2.gz VIMYPOMNMNGRQP-RKDXNWHRSA-N 0 3 196.319 2.421 20 0 AEADHN C[C@H]1CCC[C@H]1NCc1nccs1 82433052 375360689 /nfs/dbraw/zinc/36/06/89/375360689.db2.gz VIMYPOMNMNGRQP-DTWKUNHWSA-N 0 3 196.319 2.421 20 0 AEADHN C[C@@H]1CCC[C@@H]1NCc1nccs1 82433049 375361071 /nfs/dbraw/zinc/36/10/71/375361071.db2.gz VIMYPOMNMNGRQP-BDAKNGLRSA-N 0 3 196.319 2.421 20 0 AEADHN C[C@H]1CCC[C@@H]1NCc1nccs1 82433050 375361167 /nfs/dbraw/zinc/36/11/67/375361167.db2.gz VIMYPOMNMNGRQP-IUCAKERBSA-N 0 3 196.319 2.421 20 0 AEADHN CCN[C@@H](C)c1cc(C)ccn1 82652930 375367700 /nfs/dbraw/zinc/36/77/00/375367700.db2.gz IOXCKESNYJSKHR-VIFPVBQESA-N 0 3 164.252 2.061 20 0 AEADHN CCN[C@H](C)c1cc(C)ccn1 82652933 375368911 /nfs/dbraw/zinc/36/89/11/375368911.db2.gz IOXCKESNYJSKHR-SECBINFHSA-N 0 3 164.252 2.061 20 0 AEADHN Cc1cc(CN[C@@H]2CCC[C@H]2C)no1 83390999 375375438 /nfs/dbraw/zinc/37/54/38/375375438.db2.gz OAWKSLCLLQPCFS-LDYMZIIASA-N 0 3 194.278 2.261 20 0 AEADHN Cc1cc(CN[C@H]2CCC[C@@H]2C)on1 83391031 375375507 /nfs/dbraw/zinc/37/55/07/375375507.db2.gz YCJYGDZEOLDYIO-KWQFWETISA-N 0 3 194.278 2.261 20 0 AEADHN Cc1cc(CN[C@H]2CCC[C@@H]2C)no1 83390997 375375589 /nfs/dbraw/zinc/37/55/89/375375589.db2.gz OAWKSLCLLQPCFS-KWQFWETISA-N 0 3 194.278 2.261 20 0 AEADHN Cc1cc(CN[C@H]2CCC[C@H]2C)on1 83391035 375376036 /nfs/dbraw/zinc/37/60/36/375376036.db2.gz YCJYGDZEOLDYIO-KCJUWKMLSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1cc(CN[C@H]2CCC[C@H]2C)no1 83391001 375376155 /nfs/dbraw/zinc/37/61/55/375376155.db2.gz OAWKSLCLLQPCFS-KCJUWKMLSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1cc(CN[C@@H]2CCC[C@@H]2C)no1 83390993 375376251 /nfs/dbraw/zinc/37/62/51/375376251.db2.gz OAWKSLCLLQPCFS-GZMMTYOYSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1cc(CN[C@@H]2CCC[C@H]2C)on1 83391033 375376265 /nfs/dbraw/zinc/37/62/65/375376265.db2.gz YCJYGDZEOLDYIO-LDYMZIIASA-N 0 3 194.278 2.261 20 0 AEADHN CCCN[C@@H](C)c1ncccc1F 131665582 375393916 /nfs/dbraw/zinc/39/39/16/375393916.db2.gz WKKHSJITDBTIRP-QMMMGPOBSA-N 0 3 182.242 2.281 20 0 AEADHN CC(=O)CN1CC[C@@H](CC(C)(C)C)C1 201938067 375409130 /nfs/dbraw/zinc/40/91/30/375409130.db2.gz NZZLDUYKXSAQDT-NSHDSACASA-N 0 3 197.322 2.334 20 0 AEADHN CC(=O)CN1CC[C@H](CC(C)(C)C)C1 201938037 375409174 /nfs/dbraw/zinc/40/91/74/375409174.db2.gz NZZLDUYKXSAQDT-LLVKDONJSA-N 0 3 197.322 2.334 20 0 AEADHN C[C@@H]1CCCC[C@@H]1NCc1ccno1 219204285 375420660 /nfs/dbraw/zinc/42/06/60/375420660.db2.gz AAUPRTYZUUQZBG-KOLCDFICSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@@H]1CCCC[C@H]1NCc1ccno1 219204434 375420678 /nfs/dbraw/zinc/42/06/78/375420678.db2.gz AAUPRTYZUUQZBG-MWLCHTKSSA-N 0 3 194.278 2.343 20 0 AEADHN N[C@@H](CF)c1cc(F)cc(Cl)c1 238572963 375429238 /nfs/dbraw/zinc/42/92/38/375429238.db2.gz JVIDQDYCYQOPOA-QMMMGPOBSA-N 0 3 191.608 2.448 20 0 AEADHN Cc1cccc([C@H](N)CF)c1C 238546764 375429360 /nfs/dbraw/zinc/42/93/60/375429360.db2.gz DCDPXRCWMYEWFP-SNVBAGLBSA-N 0 3 167.227 2.273 20 0 AEADHN N[C@@H](CF)c1ccc(F)c(Cl)c1 238574041 375429498 /nfs/dbraw/zinc/42/94/98/375429498.db2.gz CIHWEXFYVBURFH-QMMMGPOBSA-N 0 3 191.608 2.448 20 0 AEADHN Cc1cccc([C@@H](N)CF)c1C 238543063 375429641 /nfs/dbraw/zinc/42/96/41/375429641.db2.gz DCDPXRCWMYEWFP-JTQLQIEISA-N 0 3 167.227 2.273 20 0 AEADHN C[C@@H]1CN(CCCF)CCC1(F)F 306261906 375442639 /nfs/dbraw/zinc/44/26/39/375442639.db2.gz WRSVZXKWNGNKGS-MRVPVSSYSA-N 0 3 195.228 2.323 20 0 AEADHN CC(C)CN[C@@H]1CCCc2c[nH]nc21 306972101 375462344 /nfs/dbraw/zinc/46/23/44/375462344.db2.gz VIKJCRAEGUQAAB-SNVBAGLBSA-N 0 3 193.294 2.033 20 0 AEADHN CC(C)CN[C@H]1CCCc2c[nH]nc21 306972100 375462705 /nfs/dbraw/zinc/46/27/05/375462705.db2.gz VIKJCRAEGUQAAB-JTQLQIEISA-N 0 3 193.294 2.033 20 0 AEADHN CC(F)(F)CCNCc1ccco1 328180638 375479978 /nfs/dbraw/zinc/47/99/78/375479978.db2.gz MOYPPMLZKZTDAE-UHFFFAOYSA-N 0 3 189.205 2.415 20 0 AEADHN C[C@H]1CN([C@H](C)C(N)=O)CC(C)(C)C1 334433067 375483042 /nfs/dbraw/zinc/48/30/42/375483042.db2.gz XGNAZHQVFVDPHN-RKDXNWHRSA-N 0 3 198.310 2.278 20 0 AEADHN C[C@@H]1CN([C@H](C)C(N)=O)CC(C)(C)C1 334433065 375483115 /nfs/dbraw/zinc/48/31/15/375483115.db2.gz XGNAZHQVFVDPHN-DTWKUNHWSA-N 0 3 198.310 2.278 20 0 AEADHN C[C@@H]1CN([C@@H](C)C(N)=O)CC(C)(C)C1 334433066 375483208 /nfs/dbraw/zinc/48/32/08/375483208.db2.gz XGNAZHQVFVDPHN-IUCAKERBSA-N 0 3 198.310 2.278 20 0 AEADHN CC(C)C1(NCc2ccns2)CC1 404448773 375532962 /nfs/dbraw/zinc/53/29/62/375532962.db2.gz GOJGCEZEDAFWEY-UHFFFAOYSA-N 0 3 196.319 2.421 20 0 AEADHN C[C@@H]1C[C@H](N[C@H](C)c2ccco2)CO1 401932385 375520809 /nfs/dbraw/zinc/52/08/09/375520809.db2.gz XJJAZELFMRIRCR-BBBLOLIVSA-N 0 3 195.262 2.108 20 0 AEADHN C[C@H](N[C@H]1CO[C@H](C)C1)c1ccco1 401932386 375520922 /nfs/dbraw/zinc/52/09/22/375520922.db2.gz XJJAZELFMRIRCR-KXUCPTDWSA-N 0 3 195.262 2.108 20 0 AEADHN C[C@@H]1C[C@@H](N[C@H](C)c2ccco2)CO1 401932387 375521014 /nfs/dbraw/zinc/52/10/14/375521014.db2.gz XJJAZELFMRIRCR-OPRDCNLKSA-N 0 3 195.262 2.108 20 0 AEADHN C[C@H](N[C@@H]1CO[C@H](C)C1)c1ccco1 401932389 375521019 /nfs/dbraw/zinc/52/10/19/375521019.db2.gz XJJAZELFMRIRCR-UTLUCORTSA-N 0 3 195.262 2.108 20 0 AEADHN C[C@H](N[C@@H]1CO[C@H](C)C1)c1ccoc1 402020129 375524888 /nfs/dbraw/zinc/52/48/88/375524888.db2.gz DXZWHXJYEWSSHD-YWVKMMECSA-N 0 3 195.262 2.108 20 0 AEADHN C[C@H](N[C@H]1CO[C@H](C)C1)c1ccoc1 402020125 375524997 /nfs/dbraw/zinc/52/49/97/375524997.db2.gz DXZWHXJYEWSSHD-WCABBAIRSA-N 0 3 195.262 2.108 20 0 AEADHN C[C@@H]1C[C@H](N[C@H](C)c2ccoc2)CO1 402020122 375525070 /nfs/dbraw/zinc/52/50/70/375525070.db2.gz DXZWHXJYEWSSHD-KKZNHRDASA-N 0 3 195.262 2.108 20 0 AEADHN C[C@@H]1C[C@@H](N[C@H](C)c2ccoc2)CO1 402020119 375525334 /nfs/dbraw/zinc/52/53/34/375525334.db2.gz DXZWHXJYEWSSHD-FXPVBKGRSA-N 0 3 195.262 2.108 20 0 AEADHN CC[C@@H]1C[C@H]1CNCc1ccns1 404420279 375532503 /nfs/dbraw/zinc/53/25/03/375532503.db2.gz BHLPQNWOLBJZAN-BDAKNGLRSA-N 0 3 196.319 2.279 20 0 AEADHN Cc1cc(CNC[C@@H]2C[C@H]2C)sn1 404441798 375532718 /nfs/dbraw/zinc/53/27/18/375532718.db2.gz HTFXWQZOTRVKFY-APPZFPTMSA-N 0 3 196.319 2.197 20 0 AEADHN CCC1(NCc2cc(C)ns2)CC1 404418862 375532736 /nfs/dbraw/zinc/53/27/36/375532736.db2.gz HBZBKRCZAZNTGB-UHFFFAOYSA-N 0 3 196.319 2.484 20 0 AEADHN CC[C@@H](C)NCc1cc(C)ns1 404439342 375532888 /nfs/dbraw/zinc/53/28/88/375532888.db2.gz FSIAKTUKDARGNW-SSDOTTSWSA-N 0 3 184.308 2.340 20 0 AEADHN CCCCNCc1cc(C)ns1 404438754 375532955 /nfs/dbraw/zinc/53/29/55/375532955.db2.gz FIWLXCROYANPBS-UHFFFAOYSA-N 0 3 184.308 2.341 20 0 AEADHN CC[C@H](C)NCc1cc(C)ns1 404439344 375532975 /nfs/dbraw/zinc/53/29/75/375532975.db2.gz FSIAKTUKDARGNW-ZETCQYMHSA-N 0 3 184.308 2.340 20 0 AEADHN Cc1cc(CNC[C@H]2C[C@H]2C)sn1 404441801 375532990 /nfs/dbraw/zinc/53/29/90/375532990.db2.gz HTFXWQZOTRVKFY-VXNVDRBHSA-N 0 3 196.319 2.197 20 0 AEADHN Cc1cc(CNC2CC(C)C2)sn1 404433506 375532998 /nfs/dbraw/zinc/53/29/98/375532998.db2.gz APTDUQDESFEZJS-UHFFFAOYSA-N 0 3 196.319 2.340 20 0 AEADHN Cc1cc(CNC2CC=CC2)sn1 404435447 375533038 /nfs/dbraw/zinc/53/30/38/375533038.db2.gz BYBNPNZMDACRFM-UHFFFAOYSA-N 0 3 194.303 2.260 20 0 AEADHN Cc1cc(CNC[C@@H]2C[C@@H]2C)sn1 404441799 375533045 /nfs/dbraw/zinc/53/30/45/375533045.db2.gz HTFXWQZOTRVKFY-CBAPKCEASA-N 0 3 196.319 2.197 20 0 AEADHN Cc1cc(CNC[C@H]2C[C@@H]2C)sn1 404441800 375533089 /nfs/dbraw/zinc/53/30/89/375533089.db2.gz HTFXWQZOTRVKFY-IONNQARKSA-N 0 3 196.319 2.197 20 0 AEADHN Cc1cc(CN[C@@H]2CC2(C)C)sn1 404469885 375533506 /nfs/dbraw/zinc/53/35/06/375533506.db2.gz LDZKHTMYYULUPP-SECBINFHSA-N 0 3 196.319 2.340 20 0 AEADHN Cc1cc(CN[C@H]2CC2(C)C)sn1 404469888 375533666 /nfs/dbraw/zinc/53/36/66/375533666.db2.gz LDZKHTMYYULUPP-VIFPVBQESA-N 0 3 196.319 2.340 20 0 AEADHN Cc1cc(CNCC2(C)CC2)sn1 404482412 375533781 /nfs/dbraw/zinc/53/37/81/375533781.db2.gz XXXDPJAINZRWMX-UHFFFAOYSA-N 0 3 196.319 2.341 20 0 AEADHN Cc1cc(CNC2CCCC2)sn1 404475565 375533934 /nfs/dbraw/zinc/53/39/34/375533934.db2.gz QNUFNJNCVBNPTJ-UHFFFAOYSA-N 0 3 196.319 2.484 20 0 AEADHN Cc1cc(CN[C@@H](C)C2CC2)sn1 404477470 375534013 /nfs/dbraw/zinc/53/40/13/375534013.db2.gz SRJUFXJYCXLDHI-QMMMGPOBSA-N 0 3 196.319 2.340 20 0 AEADHN Cc1cc(CNCCC2CC2)sn1 404474322 375534183 /nfs/dbraw/zinc/53/41/83/375534183.db2.gz PCINHUFGPQZYAA-UHFFFAOYSA-N 0 3 196.319 2.341 20 0 AEADHN Cc1cc(CNC2(C)CCC2)sn1 404477122 375534246 /nfs/dbraw/zinc/53/42/46/375534246.db2.gz SLADKUJBUFJHSX-UHFFFAOYSA-N 0 3 196.319 2.484 20 0 AEADHN Cc1cc(CN[C@H](C)C2CC2)sn1 404477468 375534457 /nfs/dbraw/zinc/53/44/57/375534457.db2.gz SRJUFXJYCXLDHI-MRVPVSSYSA-N 0 3 196.319 2.340 20 0 AEADHN CC1(C)C[C@H]1NCc1ccns1 404489617 375535017 /nfs/dbraw/zinc/53/50/17/375535017.db2.gz GPEFLMDNFBKJCW-MRVPVSSYSA-N 0 3 182.292 2.031 20 0 AEADHN CC1(C)C[C@@H]1NCc1ccns1 404489619 375535591 /nfs/dbraw/zinc/53/55/91/375535591.db2.gz GPEFLMDNFBKJCW-QMMMGPOBSA-N 0 3 182.292 2.031 20 0 AEADHN Cc1cc(CN2C3CCC2CC3)on1 585383271 375557741 /nfs/dbraw/zinc/55/77/41/375557741.db2.gz AFEFINQMMPADGX-UHFFFAOYSA-N 0 3 192.262 2.110 20 0 AEADHN CCCN1CCOc2ccccc2C1 585380878 375558425 /nfs/dbraw/zinc/55/84/25/375558425.db2.gz BEELFCALNIXXBF-UHFFFAOYSA-N 0 3 191.274 2.291 20 0 AEADHN CN(CCC(C)(C)C)Cc1c[nH]cn1 646028668 375570374 /nfs/dbraw/zinc/57/03/74/375570374.db2.gz PKPUJHRNVYHLMV-UHFFFAOYSA-N 0 3 195.310 2.278 20 0 AEADHN CN(CCC(C)(C)C)Cc1cnc[nH]1 646028668 375570376 /nfs/dbraw/zinc/57/03/76/375570376.db2.gz PKPUJHRNVYHLMV-UHFFFAOYSA-N 0 3 195.310 2.278 20 0 AEADHN CCC(CC)CN1CCO[C@@H](C)C1 646255969 375587428 /nfs/dbraw/zinc/58/74/28/375587428.db2.gz FGLHCSGGNUZXGM-JTQLQIEISA-N 0 3 185.311 2.143 20 0 AEADHN CCCCN1CCOC[C@@H]1C1CCC1 646061202 375571532 /nfs/dbraw/zinc/57/15/32/375571532.db2.gz VIEDWMPNFUXKMU-GFCCVEGCSA-N 0 3 197.322 2.287 20 0 AEADHN COCCN(C)Cc1ccsc1C 646050119 375571721 /nfs/dbraw/zinc/57/17/21/375571721.db2.gz HESYMHZJHKKORD-UHFFFAOYSA-N 0 3 199.319 2.135 20 0 AEADHN CCCCN1CCOC[C@H]1C1CCC1 646061203 375572182 /nfs/dbraw/zinc/57/21/82/375572182.db2.gz VIEDWMPNFUXKMU-LBPRGKRZSA-N 0 3 197.322 2.287 20 0 AEADHN CCCN(CC)Cc1conc1CC 646046278 375572323 /nfs/dbraw/zinc/57/23/23/375572323.db2.gz VGBUEHMZYFWTLN-UHFFFAOYSA-N 0 3 196.294 2.469 20 0 AEADHN CCCN(Cc1conc1C)C1CC1 646053237 375572529 /nfs/dbraw/zinc/57/25/29/375572529.db2.gz XQMSMGFUAYAXNO-UHFFFAOYSA-N 0 3 194.278 2.357 20 0 AEADHN CCN(Cc1conc1C)CC1CC1 646086738 375574922 /nfs/dbraw/zinc/57/49/22/375574922.db2.gz UZZGIUBKERUCTF-UHFFFAOYSA-N 0 3 194.278 2.215 20 0 AEADHN CCCCN1C[C@H](C)OC2(CCC2)C1 646115848 375576761 /nfs/dbraw/zinc/57/67/61/375576761.db2.gz KOCONQWLPOASTC-NSHDSACASA-N 0 3 197.322 2.430 20 0 AEADHN CCCCN1C[C@@H](C)OC2(CCC2)C1 646115847 375576846 /nfs/dbraw/zinc/57/68/46/375576846.db2.gz KOCONQWLPOASTC-LLVKDONJSA-N 0 3 197.322 2.430 20 0 AEADHN CCCN1C[C@@H](C)OC2(CCCC2)C1 646132634 375579981 /nfs/dbraw/zinc/57/99/81/375579981.db2.gz DFIMYYZJIZPEGZ-LLVKDONJSA-N 0 3 197.322 2.430 20 0 AEADHN CCCN1C[C@H](C)OC2(CCCC2)C1 646132635 375580008 /nfs/dbraw/zinc/58/00/08/375580008.db2.gz DFIMYYZJIZPEGZ-NSHDSACASA-N 0 3 197.322 2.430 20 0 AEADHN CC(C)N1C[C@H](C)OC2(CCCC2)C1 646131535 375580525 /nfs/dbraw/zinc/58/05/25/375580525.db2.gz BBWGAVYOOGTNIL-NSHDSACASA-N 0 3 197.322 2.428 20 0 AEADHN CCN1C[C@@H](C)OC2(CCCC2)C1 646133360 375580620 /nfs/dbraw/zinc/58/06/20/375580620.db2.gz ROQGXUBNLRFXDL-SNVBAGLBSA-N 0 3 183.295 2.040 20 0 AEADHN CCN1C[C@H](C)OC2(CCCC2)C1 646133359 375580698 /nfs/dbraw/zinc/58/06/98/375580698.db2.gz ROQGXUBNLRFXDL-JTQLQIEISA-N 0 3 183.295 2.040 20 0 AEADHN CC(C)N1C[C@@H](C)OC2(CCCC2)C1 646131534 375580712 /nfs/dbraw/zinc/58/07/12/375580712.db2.gz BBWGAVYOOGTNIL-LLVKDONJSA-N 0 3 197.322 2.428 20 0 AEADHN CCC(CC)CN1CCO[C@H](C)C1 646254714 375586744 /nfs/dbraw/zinc/58/67/44/375586744.db2.gz FGLHCSGGNUZXGM-SNVBAGLBSA-N 0 3 185.311 2.143 20 0 AEADHN C[C@H](CN1CCO[C@H](C)C1)C(C)(C)C 646255399 375586893 /nfs/dbraw/zinc/58/68/93/375586893.db2.gz WCUPETOTSXODDA-GHMZBOCLSA-N 0 3 199.338 2.389 20 0 AEADHN C[C@H]1CN(C[C@H](C)C(C)(C)C)CCO1 646256142 375586992 /nfs/dbraw/zinc/58/69/92/375586992.db2.gz WCUPETOTSXODDA-QWRGUYRKSA-N 0 3 199.338 2.389 20 0 AEADHN C[C@@H]1CN(C[C@H](C)C(C)(C)C)CCO1 646255400 375587308 /nfs/dbraw/zinc/58/73/08/375587308.db2.gz WCUPETOTSXODDA-WDEREUQCSA-N 0 3 199.338 2.389 20 0 AEADHN C[C@H]1CN(C[C@@H](C)C(C)(C)C)CCO1 646256141 375587376 /nfs/dbraw/zinc/58/73/76/375587376.db2.gz WCUPETOTSXODDA-MNOVXSKESA-N 0 3 199.338 2.389 20 0 AEADHN CCNCc1nc(C2(C)CC2)cs1 647608829 375665018 /nfs/dbraw/zinc/66/50/18/375665018.db2.gz MQIDTEXESCCYEG-UHFFFAOYSA-N 0 3 196.319 2.304 20 0 AEADHN CNCc1nc(CC(C)(C)C)cs1 647608821 375665129 /nfs/dbraw/zinc/66/51/29/375665129.db2.gz IRKDFVQOIRVOGR-UHFFFAOYSA-N 0 3 198.335 2.451 20 0 AEADHN CCNCc1nc(CC2CC2)cs1 647608843 375665199 /nfs/dbraw/zinc/66/51/99/375665199.db2.gz WIVOKMZLVVKYQK-UHFFFAOYSA-N 0 3 196.319 2.205 20 0 AEADHN C[C@H](CCC1CC1)NCc1ccno1 648023499 375686814 /nfs/dbraw/zinc/68/68/14/375686814.db2.gz IAWWXXGGVNSFQH-SECBINFHSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@@H](CCC1CC1)NCc1ccno1 648023500 375687240 /nfs/dbraw/zinc/68/72/40/375687240.db2.gz IAWWXXGGVNSFQH-VIFPVBQESA-N 0 3 194.278 2.343 20 0 AEADHN CCn1cncc1CN(C)C(C)(C)C 648070113 375687929 /nfs/dbraw/zinc/68/79/29/375687929.db2.gz ZIYFPYMTALFOPH-UHFFFAOYSA-N 0 3 195.310 2.133 20 0 AEADHN C=Cn1cc(CN(C)C(C)(C)C)cn1 648070203 375688594 /nfs/dbraw/zinc/68/85/94/375688594.db2.gz ICXVTAJLYCEKAT-UHFFFAOYSA-N 0 3 193.294 2.214 20 0 AEADHN CCn1cc(CN(C)C(C)(C)C)cn1 648070222 375688636 /nfs/dbraw/zinc/68/86/36/375688636.db2.gz KFKDWFSVLMNDJN-UHFFFAOYSA-N 0 3 195.310 2.133 20 0 AEADHN CCn1nccc1CN(C)C(C)(C)C 648070349 375688661 /nfs/dbraw/zinc/68/86/61/375688661.db2.gz TTXTYYRTXUYHQY-UHFFFAOYSA-N 0 3 195.310 2.133 20 0 AEADHN CCC(CC)CN(C1CC1)C1COC1 648606646 375723155 /nfs/dbraw/zinc/72/31/55/375723155.db2.gz QADBXUYGJYPEHL-UHFFFAOYSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H](NCc1ccncc1F)C1CC1 648406053 375711965 /nfs/dbraw/zinc/71/19/65/375711965.db2.gz HLMSFXUEGFTFAP-QMMMGPOBSA-N 0 3 194.253 2.109 20 0 AEADHN C[C@@H](NCc1ccncc1F)C1CC1 648406052 375712346 /nfs/dbraw/zinc/71/23/46/375712346.db2.gz HLMSFXUEGFTFAP-MRVPVSSYSA-N 0 3 194.253 2.109 20 0 AEADHN CCN(CC)Cc1ccncc1C 648347583 375708966 /nfs/dbraw/zinc/70/89/66/375708966.db2.gz LCGUAJNUJKWXPZ-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN CCN(Cc1ccncc1C)C1CC1 648357812 375710230 /nfs/dbraw/zinc/71/02/30/375710230.db2.gz NRRJVVCJUPUJSE-UHFFFAOYSA-N 0 3 190.290 2.374 20 0 AEADHN CCCN(C)Cc1ccncc1C 648356424 375710769 /nfs/dbraw/zinc/71/07/69/375710769.db2.gz JDCYGBXLXAZRJO-UHFFFAOYSA-N 0 3 178.279 2.232 20 0 AEADHN COCCN(C)Cc1csc(C)c1 648356432 375711197 /nfs/dbraw/zinc/71/11/97/375711197.db2.gz LMHSDDUVSUKRNJ-UHFFFAOYSA-N 0 3 199.319 2.135 20 0 AEADHN Cc1cnccc1CN(C)CC1CC1 648361828 375711208 /nfs/dbraw/zinc/71/12/08/375711208.db2.gz VQEAGYSOFHLMDU-UHFFFAOYSA-N 0 3 190.290 2.232 20 0 AEADHN CCC(CC)NCc1ccncc1F 648402292 375711805 /nfs/dbraw/zinc/71/18/05/375711805.db2.gz XJFAMHPPMLMVKK-UHFFFAOYSA-N 0 3 196.269 2.499 20 0 AEADHN CCC[C@H](C)NCc1ccncc1F 648405425 375711890 /nfs/dbraw/zinc/71/18/90/375711890.db2.gz ZDZWAVWTAFEBPL-VIFPVBQESA-N 0 3 196.269 2.499 20 0 AEADHN CC(C)CCNCc1ccncc1F 648402736 375712060 /nfs/dbraw/zinc/71/20/60/375712060.db2.gz OGACIJZNHGLGRF-UHFFFAOYSA-N 0 3 196.269 2.356 20 0 AEADHN CCC[C@@H](C)NCc1ccncc1F 648405424 375712081 /nfs/dbraw/zinc/71/20/81/375712081.db2.gz ZDZWAVWTAFEBPL-SECBINFHSA-N 0 3 196.269 2.499 20 0 AEADHN CCC(C)(C)NCc1ccncc1F 648439613 375713207 /nfs/dbraw/zinc/71/32/07/375713207.db2.gz YXEFXTUHORNTLL-UHFFFAOYSA-N 0 3 196.269 2.499 20 0 AEADHN CC(C)(C)CNCc1ccncc1F 648435648 375713302 /nfs/dbraw/zinc/71/33/02/375713302.db2.gz AZQALFMJXAJJGE-UHFFFAOYSA-N 0 3 196.269 2.356 20 0 AEADHN C[C@H]1COCCN1C[C@@H](C)C(C)(C)C 648638954 375728147 /nfs/dbraw/zinc/72/81/47/375728147.db2.gz MWGKUJSGVICKAZ-MNOVXSKESA-N 0 3 199.338 2.389 20 0 AEADHN Fc1cnccc1CNCC1CCC1 648437293 375713538 /nfs/dbraw/zinc/71/35/38/375713538.db2.gz OCUNNKYKMNXAIU-UHFFFAOYSA-N 0 3 194.253 2.110 20 0 AEADHN Fc1cnccc1CNCCC1CC1 648465918 375714802 /nfs/dbraw/zinc/71/48/02/375714802.db2.gz NREAPOVEXCGDLL-UHFFFAOYSA-N 0 3 194.253 2.110 20 0 AEADHN CC1(CNCc2ccncc2F)CC1 648466713 375714949 /nfs/dbraw/zinc/71/49/49/375714949.db2.gz PDPHYKDSVPKOCB-UHFFFAOYSA-N 0 3 194.253 2.110 20 0 AEADHN CC1(NCc2ccncc2F)CCC1 648502549 375715573 /nfs/dbraw/zinc/71/55/73/375715573.db2.gz JVOQHPZYCZDJNV-UHFFFAOYSA-N 0 3 194.253 2.253 20 0 AEADHN Cc1cnccc1CN1CC=CCC1 648505003 375715999 /nfs/dbraw/zinc/71/59/99/375715999.db2.gz LZGRNCOKCVDOEB-UHFFFAOYSA-N 0 3 188.274 2.152 20 0 AEADHN Fc1cnccc1CNC1CC=CC1 648480590 375716164 /nfs/dbraw/zinc/71/61/64/375716164.db2.gz YBQNJXGSBRQQPJ-UHFFFAOYSA-N 0 3 192.237 2.029 20 0 AEADHN C[C@@H](Cc1ccoc1)N[C@H](C)CF 648589075 375718929 /nfs/dbraw/zinc/71/89/29/375718929.db2.gz MMCWRKVWHSJNRY-DTWKUNHWSA-N 0 3 185.242 2.158 20 0 AEADHN C[C@@H](CF)N[C@@H](C)Cc1ccoc1 648589076 375719209 /nfs/dbraw/zinc/71/92/09/375719209.db2.gz MMCWRKVWHSJNRY-IUCAKERBSA-N 0 3 185.242 2.158 20 0 AEADHN C[C@@H](CF)N[C@H](C)Cc1ccoc1 648589074 375719458 /nfs/dbraw/zinc/71/94/58/375719458.db2.gz MMCWRKVWHSJNRY-BDAKNGLRSA-N 0 3 185.242 2.158 20 0 AEADHN C[C@H](CF)N[C@H](C)Cc1ccoc1 648589077 375719515 /nfs/dbraw/zinc/71/95/15/375719515.db2.gz MMCWRKVWHSJNRY-RKDXNWHRSA-N 0 3 185.242 2.158 20 0 AEADHN CC(C)CCN(C(C)C)C1COC1 648606479 375722085 /nfs/dbraw/zinc/72/20/85/375722085.db2.gz WPPDEWGVEZADHA-UHFFFAOYSA-N 0 3 185.311 2.142 20 0 AEADHN CC(C)N(CC1CCCC1)C1COC1 648606466 375722138 /nfs/dbraw/zinc/72/21/38/375722138.db2.gz LWDOGFVSEFSNCR-UHFFFAOYSA-N 0 3 197.322 2.286 20 0 AEADHN C1CCC(CN(C2CC2)C2COC2)C1 648606653 375723527 /nfs/dbraw/zinc/72/35/27/375723527.db2.gz USZVOQRDQNGURT-UHFFFAOYSA-N 0 3 195.306 2.040 20 0 AEADHN CC(C)(C)CCN(C1CC1)C1COC1 648606645 375723564 /nfs/dbraw/zinc/72/35/64/375723564.db2.gz PLVWQHRBZBGWFX-UHFFFAOYSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@H](C)CN(C(C)C)C1COC1 648606482 375723610 /nfs/dbraw/zinc/72/36/10/375723610.db2.gz YOTFIYSPAQNTDC-JTQLQIEISA-N 0 3 185.311 2.142 20 0 AEADHN CC[C@@H](C)CN(C(C)C)C1COC1 648606483 375723671 /nfs/dbraw/zinc/72/36/71/375723671.db2.gz YOTFIYSPAQNTDC-SNVBAGLBSA-N 0 3 185.311 2.142 20 0 AEADHN CC(C)CCCN(C1CC1)C1COC1 648606664 375724022 /nfs/dbraw/zinc/72/40/22/375724022.db2.gz ZDJYKGOVJPTDGN-UHFFFAOYSA-N 0 3 197.322 2.286 20 0 AEADHN CC(C)C[C@H](C)CN1CCOC[C@@H]1C 648638934 375727770 /nfs/dbraw/zinc/72/77/70/375727770.db2.gz FFHBGMUEPJBDLS-RYUDHWBXSA-N 0 3 199.338 2.389 20 0 AEADHN CCC(CC)CN1CCOC[C@@H]1C 648638722 375728256 /nfs/dbraw/zinc/72/82/56/375728256.db2.gz MASIMVQCAYDARA-JTQLQIEISA-N 0 3 185.311 2.143 20 0 AEADHN C[C@H]1COCCN1C[C@H](C)C(C)(C)C 648638955 375728315 /nfs/dbraw/zinc/72/83/15/375728315.db2.gz MWGKUJSGVICKAZ-QWRGUYRKSA-N 0 3 199.338 2.389 20 0 AEADHN C[C@H]1COCCN1CC1CCCCC1 648638724 375728327 /nfs/dbraw/zinc/72/83/27/375728327.db2.gz MJVXLTXNZWEUAA-NSHDSACASA-N 0 3 197.322 2.287 20 0 AEADHN CC(C)C[C@@H](C)CN1CCOC[C@@H]1C 648638933 375728426 /nfs/dbraw/zinc/72/84/26/375728426.db2.gz FFHBGMUEPJBDLS-NEPJUHHUSA-N 0 3 199.338 2.389 20 0 AEADHN CCC1(NCc2ccncc2F)CC1 648684395 375730760 /nfs/dbraw/zinc/73/07/60/375730760.db2.gz UYLKAXHCFZOZBS-UHFFFAOYSA-N 0 3 194.253 2.253 20 0 AEADHN CC(C)CCCN1CC[C@H](F)C1 648721168 375737681 /nfs/dbraw/zinc/73/76/81/375737681.db2.gz YJFSKNUVNNVBNP-JTQLQIEISA-N 0 3 173.275 2.466 20 0 AEADHN CC(C)CCCN1CC[C@@H](F)C1 648721640 375738070 /nfs/dbraw/zinc/73/80/70/375738070.db2.gz YJFSKNUVNNVBNP-SNVBAGLBSA-N 0 3 173.275 2.466 20 0 AEADHN CCn1ccnc1[C@@H](C)NCC(C)C 648773784 375746248 /nfs/dbraw/zinc/74/62/48/375746248.db2.gz LQPKXHYELATLOB-SNVBAGLBSA-N 0 3 195.310 2.210 20 0 AEADHN CCn1ccnc1[C@@H](C)NC1CCC1 648774504 375746288 /nfs/dbraw/zinc/74/62/88/375746288.db2.gz MJHRGJIBASBZOF-SECBINFHSA-N 0 3 193.294 2.106 20 0 AEADHN CCn1ccnc1[C@H](C)NCC(C)C 648773783 375746684 /nfs/dbraw/zinc/74/66/84/375746684.db2.gz LQPKXHYELATLOB-JTQLQIEISA-N 0 3 195.310 2.210 20 0 AEADHN CCn1ccnc1[C@H](C)NC1CCC1 648774505 375746881 /nfs/dbraw/zinc/74/68/81/375746881.db2.gz MJHRGJIBASBZOF-VIFPVBQESA-N 0 3 193.294 2.106 20 0 AEADHN CC(C)CNCc1cnc(C2CC2)o1 648823330 375747833 /nfs/dbraw/zinc/74/78/33/375747833.db2.gz ZWCWHLLDOQOJCZ-UHFFFAOYSA-N 0 3 194.278 2.298 20 0 AEADHN c1nc(C2CC2)oc1CNCC1CC1 648823310 375748732 /nfs/dbraw/zinc/74/87/32/375748732.db2.gz SDCUIINFUYFZCU-UHFFFAOYSA-N 0 3 192.262 2.052 20 0 AEADHN CC(C)NCc1cnc(C2CC2)o1 648824591 375748779 /nfs/dbraw/zinc/74/87/79/375748779.db2.gz JUOSTZZBARGVBH-UHFFFAOYSA-N 0 3 180.251 2.050 20 0 AEADHN CC[C@H](C)N[C@H](CC)c1nccn1C 651176827 409321681 /nfs/dbraw/zinc/32/16/81/409321681.db2.gz TXGQLFUYPUQYQG-VHSXEESVSA-N 0 3 195.310 2.259 20 0 AEADHN CC[C@@H](C)N[C@H](CC)c1nccn1C 651176825 409321802 /nfs/dbraw/zinc/32/18/02/409321802.db2.gz TXGQLFUYPUQYQG-NXEZZACHSA-N 0 3 195.310 2.259 20 0 AEADHN CCCCN[C@@H](C)c1nccn1CC 651176229 409321821 /nfs/dbraw/zinc/32/18/21/409321821.db2.gz YMSPKPSZQMCRTK-JTQLQIEISA-N 0 3 195.310 2.354 20 0 AEADHN CC[C@H](C)N[C@@H](CC)c1nccn1C 651176826 409321911 /nfs/dbraw/zinc/32/19/11/409321911.db2.gz TXGQLFUYPUQYQG-UWVGGRQHSA-N 0 3 195.310 2.259 20 0 AEADHN CCCCN[C@H](C)c1nccn1CC 651176230 409322120 /nfs/dbraw/zinc/32/21/20/409322120.db2.gz YMSPKPSZQMCRTK-SNVBAGLBSA-N 0 3 195.310 2.354 20 0 AEADHN CC[C@@H](C)N[C@H](C)c1nccn1CC 651176799 409322147 /nfs/dbraw/zinc/32/21/47/409322147.db2.gz HFDPZDSXVPSZAO-NXEZZACHSA-N 0 3 195.310 2.352 20 0 AEADHN CC[C@@H](C)N[C@@H](C)c1nccn1CC 651176802 409322513 /nfs/dbraw/zinc/32/25/13/409322513.db2.gz HFDPZDSXVPSZAO-ZJUUUORDSA-N 0 3 195.310 2.352 20 0 AEADHN CC[C@H](C)N[C@@H](C)c1nccn1CC 651176800 409322642 /nfs/dbraw/zinc/32/26/42/409322642.db2.gz HFDPZDSXVPSZAO-UWVGGRQHSA-N 0 3 195.310 2.352 20 0 AEADHN CC[C@H](N[C@H](C)CC)c1nccn1C 651176828 409322680 /nfs/dbraw/zinc/32/26/80/409322680.db2.gz TXGQLFUYPUQYQG-ZJUUUORDSA-N 0 3 195.310 2.259 20 0 AEADHN CC[C@H](C)N[C@H](C)c1nccn1CC 651176801 409322708 /nfs/dbraw/zinc/32/27/08/409322708.db2.gz HFDPZDSXVPSZAO-VHSXEESVSA-N 0 3 195.310 2.352 20 0 AEADHN C[C@@H](NC1(C2CC2)CC1)c1cn[nH]c1 651299563 409323612 /nfs/dbraw/zinc/32/36/12/409323612.db2.gz GNRGLYKMWXYPBR-MRVPVSSYSA-N 0 3 191.278 2.003 20 0 AEADHN C[C@H](NC1(C2CC2)CC1)c1cn[nH]c1 651299564 409324383 /nfs/dbraw/zinc/32/43/83/409324383.db2.gz GNRGLYKMWXYPBR-QMMMGPOBSA-N 0 3 191.278 2.003 20 0 AEADHN CCC1(N[C@H](C)c2cnn(C)c2)CC1 651396502 409325700 /nfs/dbraw/zinc/32/57/00/409325700.db2.gz ANRHLQQUKWOAET-SECBINFHSA-N 0 3 193.294 2.013 20 0 AEADHN CCC1(N[C@H](C)c2ccnn2C)CC1 651396524 409325733 /nfs/dbraw/zinc/32/57/33/409325733.db2.gz GEQRFCKYQWSBCG-SECBINFHSA-N 0 3 193.294 2.013 20 0 AEADHN CCC1(N[C@@H](C)c2cnn(C)c2)CC1 651396503 409326039 /nfs/dbraw/zinc/32/60/39/409326039.db2.gz ANRHLQQUKWOAET-VIFPVBQESA-N 0 3 193.294 2.013 20 0 AEADHN CCC1(N[C@H](C)c2nccn2C)CC1 651396539 409326069 /nfs/dbraw/zinc/32/60/69/409326069.db2.gz HTEPPBRAZRGDNO-SECBINFHSA-N 0 3 193.294 2.013 20 0 AEADHN CC[C@H](C)CN1CCC[C@@H](F)C1 652076725 409347652 /nfs/dbraw/zinc/34/76/52/409347652.db2.gz WERDYQKCONGRNW-VHSXEESVSA-N 0 3 173.275 2.466 20 0 AEADHN CCC1(N[C@@H](C)c2cnccn2)CC1 651395806 409326809 /nfs/dbraw/zinc/32/68/09/409326809.db2.gz WEWCPEOBXGNPSD-VIFPVBQESA-N 0 3 191.278 2.070 20 0 AEADHN CCC1(N[C@@H](C)c2nccn2C)CC1 651396540 409326874 /nfs/dbraw/zinc/32/68/74/409326874.db2.gz HTEPPBRAZRGDNO-VIFPVBQESA-N 0 3 193.294 2.013 20 0 AEADHN CCC1(N[C@@H](C)c2ccnn2C)CC1 651396525 409327186 /nfs/dbraw/zinc/32/71/86/409327186.db2.gz GEQRFCKYQWSBCG-VIFPVBQESA-N 0 3 193.294 2.013 20 0 AEADHN CCC1(N[C@H](C)c2cnccn2)CC1 651395805 409327213 /nfs/dbraw/zinc/32/72/13/409327213.db2.gz WEWCPEOBXGNPSD-SECBINFHSA-N 0 3 191.278 2.070 20 0 AEADHN CC/C=C\CN[C@@H](C)c1c[nH]nc1C 651412686 409328112 /nfs/dbraw/zinc/32/81/12/409328112.db2.gz ORYQIZACLXITDI-UDIARPCQSA-N 0 3 193.294 2.335 20 0 AEADHN CCC1(N[C@H](C)c2ccncn2)CC1 651397366 409328232 /nfs/dbraw/zinc/32/82/32/409328232.db2.gz VAAMNPKUNUHVJY-SECBINFHSA-N 0 3 191.278 2.070 20 0 AEADHN CCC1(N[C@@H](C)c2cn[nH]c2)CC1 651397319 409328268 /nfs/dbraw/zinc/32/82/68/409328268.db2.gz ISZYPTOWUFCKLU-QMMMGPOBSA-N 0 3 179.267 2.003 20 0 AEADHN CC/C=C\CN[C@H](C)c1c[nH]nc1C 651412685 409328471 /nfs/dbraw/zinc/32/84/71/409328471.db2.gz ORYQIZACLXITDI-SSJHQANKSA-N 0 3 193.294 2.335 20 0 AEADHN CCC1(N[C@H](C)c2c[nH]nc2C)CC1 651396551 409328528 /nfs/dbraw/zinc/32/85/28/409328528.db2.gz KENHJOFXKNBMDR-MRVPVSSYSA-N 0 3 193.294 2.311 20 0 AEADHN CCC1(N[C@@H](C)c2ccncn2)CC1 651397367 409328581 /nfs/dbraw/zinc/32/85/81/409328581.db2.gz VAAMNPKUNUHVJY-VIFPVBQESA-N 0 3 191.278 2.070 20 0 AEADHN CC/C=C/CN[C@@H](C)c1c[nH]nc1C 651412684 409328633 /nfs/dbraw/zinc/32/86/33/409328633.db2.gz ORYQIZACLXITDI-CYNONHLPSA-N 0 3 193.294 2.335 20 0 AEADHN CCC1(N[C@H](C)c2cn[nH]c2)CC1 651397317 409328664 /nfs/dbraw/zinc/32/86/64/409328664.db2.gz ISZYPTOWUFCKLU-MRVPVSSYSA-N 0 3 179.267 2.003 20 0 AEADHN CC/C=C/CN[C@H](C)c1c[nH]nc1C 651412687 409328725 /nfs/dbraw/zinc/32/87/25/409328725.db2.gz ORYQIZACLXITDI-VUHVRTRXSA-N 0 3 193.294 2.335 20 0 AEADHN CCC1(N[C@@H](C)c2c[nH]nc2C)CC1 651396552 409329167 /nfs/dbraw/zinc/32/91/67/409329167.db2.gz KENHJOFXKNBMDR-QMMMGPOBSA-N 0 3 193.294 2.311 20 0 AEADHN CC[C@@H](C)NCc1cnc(C2CC2)o1 651470782 409330325 /nfs/dbraw/zinc/33/03/25/409330325.db2.gz UAMXTABMTAKZFK-MRVPVSSYSA-N 0 3 194.278 2.440 20 0 AEADHN CC[C@H](C)NCc1cnc(C2CC2)o1 651470783 409330648 /nfs/dbraw/zinc/33/06/48/409330648.db2.gz UAMXTABMTAKZFK-QMMMGPOBSA-N 0 3 194.278 2.440 20 0 AEADHN CCc1nocc1CN[C@@H](C)CC 651580581 409332355 /nfs/dbraw/zinc/33/23/55/409332355.db2.gz OITBTIZQYJRHJJ-QMMMGPOBSA-N 0 3 182.267 2.125 20 0 AEADHN CCc1nocc1CN[C@H](C)CC 651580580 409332621 /nfs/dbraw/zinc/33/26/21/409332621.db2.gz OITBTIZQYJRHJJ-MRVPVSSYSA-N 0 3 182.267 2.125 20 0 AEADHN c1cc2oc(CNC3CC3)cc2cn1 651670688 409337315 /nfs/dbraw/zinc/33/73/15/409337315.db2.gz SERDQZILPFFJOJ-UHFFFAOYSA-N 0 3 188.230 2.080 20 0 AEADHN FCCNCc1cccc2c1CCC2 651792921 409339950 /nfs/dbraw/zinc/33/99/50/409339950.db2.gz NXMSIHKQGVKSBW-UHFFFAOYSA-N 0 3 193.265 2.234 20 0 AEADHN CC[C@@H]1CN(C[C@@H]2C[C@H]2C)[C@@H](C)CO1 651932094 409340557 /nfs/dbraw/zinc/34/05/57/409340557.db2.gz KVUNCUTUUOOMHI-NOOOWODRSA-N 0 3 197.322 2.142 20 0 AEADHN CC[C@@H]1CN(C[C@@H]2C[C@@H]2C)[C@@H](C)CO1 651932093 409340569 /nfs/dbraw/zinc/34/05/69/409340569.db2.gz KVUNCUTUUOOMHI-FIQHERPVSA-N 0 3 197.322 2.142 20 0 AEADHN CC[C@@H]1CN(C[C@@H]2C[C@@H]2C)[C@H](C)CO1 651932095 409341211 /nfs/dbraw/zinc/34/12/11/409341211.db2.gz KVUNCUTUUOOMHI-WHOHXGKFSA-N 0 3 197.322 2.142 20 0 AEADHN CC[C@@H]1CN(C[C@@H]2C[C@H]2C)[C@H](C)CO1 651932096 409341699 /nfs/dbraw/zinc/34/16/99/409341699.db2.gz KVUNCUTUUOOMHI-WISYIIOYSA-N 0 3 197.322 2.142 20 0 AEADHN CCCNCc1csc(CC)n1 40432059 409344095 /nfs/dbraw/zinc/34/40/95/409344095.db2.gz KGMGHAJTUNDHJY-UHFFFAOYSA-N 0 3 184.308 2.205 20 0 AEADHN CC[C@@H](C)CN1CCC[C@H](F)C1 652076726 409346770 /nfs/dbraw/zinc/34/67/70/409346770.db2.gz WERDYQKCONGRNW-ZJUUUORDSA-N 0 3 173.275 2.466 20 0 AEADHN CC[C@@H](C)CN1CCC[C@@H](F)C1 652076723 409346902 /nfs/dbraw/zinc/34/69/02/409346902.db2.gz WERDYQKCONGRNW-NXEZZACHSA-N 0 3 173.275 2.466 20 0 AEADHN C[C@@H]1C[C@@H]1CN1CCC[C@H](F)C1 652076425 409347236 /nfs/dbraw/zinc/34/72/36/409347236.db2.gz CUKRVAUMUHSZDX-BBBLOLIVSA-N 0 3 171.259 2.076 20 0 AEADHN CC[C@H](C)CN1CCC[C@H](F)C1 652076724 409347355 /nfs/dbraw/zinc/34/73/55/409347355.db2.gz WERDYQKCONGRNW-UWVGGRQHSA-N 0 3 173.275 2.466 20 0 AEADHN C[C@@H]1C[C@H]1CN1CCC[C@@H](F)C1 652076426 409347397 /nfs/dbraw/zinc/34/73/97/409347397.db2.gz CUKRVAUMUHSZDX-KXUCPTDWSA-N 0 3 171.259 2.076 20 0 AEADHN CC1(CN2CCC[C@H](F)C2)CC1 652076532 409348331 /nfs/dbraw/zinc/34/83/31/409348331.db2.gz JEXPEKIKMSXVMT-VIFPVBQESA-N 0 3 171.259 2.220 20 0 AEADHN C[C@@H]1C[C@@H]1CN1CCC[C@@H](F)C1 652076427 409348368 /nfs/dbraw/zinc/34/83/68/409348368.db2.gz CUKRVAUMUHSZDX-OPRDCNLKSA-N 0 3 171.259 2.076 20 0 AEADHN C[C@@H]1C[C@H]1CN1CCC[C@H](F)C1 652076428 409348526 /nfs/dbraw/zinc/34/85/26/409348526.db2.gz CUKRVAUMUHSZDX-UTLUCORTSA-N 0 3 171.259 2.076 20 0 AEADHN CC1(CN2CCC[C@@H](F)C2)CC1 652076531 409348613 /nfs/dbraw/zinc/34/86/13/409348613.db2.gz JEXPEKIKMSXVMT-SECBINFHSA-N 0 3 171.259 2.220 20 0 AEADHN CCCN(C)Cc1ccco1 41392390 409349671 /nfs/dbraw/zinc/34/96/71/409349671.db2.gz RGEFRUYGWHKPKA-UHFFFAOYSA-N 0 3 153.225 2.121 20 0 AEADHN CC(C)CN1CCC[C@@H](F)C1 652076979 409349977 /nfs/dbraw/zinc/34/99/77/409349977.db2.gz ITDALVBSSMHSJC-SECBINFHSA-N 0 3 159.248 2.076 20 0 AEADHN CC(C)CN1CCC[C@H](F)C1 652076980 409350702 /nfs/dbraw/zinc/35/07/02/409350702.db2.gz ITDALVBSSMHSJC-VIFPVBQESA-N 0 3 159.248 2.076 20 0 AEADHN CCCCCN(CC(C)=O)C(C)C 42558250 409354562 /nfs/dbraw/zinc/35/45/62/409354562.db2.gz NOWWDCVUUMLYHH-UHFFFAOYSA-N 0 3 185.311 2.476 20 0 AEADHN CC(C)CN1CCC(=O)CC12CCC2 653764216 409377316 /nfs/dbraw/zinc/37/73/16/409377316.db2.gz PEGKWXZTGXILSI-UHFFFAOYSA-N 0 3 195.306 2.230 20 0 AEADHN CCCCN1CCC(=O)CC12CCC2 653764200 409377438 /nfs/dbraw/zinc/37/74/38/409377438.db2.gz NMRPBOBQQYXACU-UHFFFAOYSA-N 0 3 195.306 2.374 20 0 AEADHN CCCN(Cc1ccn(C)n1)C(C)C 653798851 409379883 /nfs/dbraw/zinc/37/98/83/409379883.db2.gz QSVNMTLDSZIMMY-UHFFFAOYSA-N 0 3 195.310 2.041 20 0 AEADHN CCCN(Cc1ccno1)C(C)C 653797241 409379929 /nfs/dbraw/zinc/37/99/29/409379929.db2.gz VYEIFVQVSKMVPU-UHFFFAOYSA-N 0 3 182.267 2.295 20 0 AEADHN CCCC[C@@H](C)NCc1ncc[nH]1 50887837 409379970 /nfs/dbraw/zinc/37/99/70/409379970.db2.gz QAWSJULFRMCVMC-SECBINFHSA-N 0 3 181.283 2.078 20 0 AEADHN CCCN(Cc1cc[nH]n1)C(C)C 653798972 409380252 /nfs/dbraw/zinc/38/02/52/409380252.db2.gz YCZFLSMBZHWWND-UHFFFAOYSA-N 0 3 181.283 2.030 20 0 AEADHN CCCN(Cc1ccnn1C)C(C)C 653798613 409380368 /nfs/dbraw/zinc/38/03/68/409380368.db2.gz FEIVUGVNBJSVJJ-UHFFFAOYSA-N 0 3 195.310 2.041 20 0 AEADHN CCCN(Cc1cncn1C)C(C)C 653797601 409380444 /nfs/dbraw/zinc/38/04/44/409380444.db2.gz GWJZMGDGVQPZAR-UHFFFAOYSA-N 0 3 195.310 2.041 20 0 AEADHN CCCN(Cc1c[nH]cn1)C(C)C 653798989 409380704 /nfs/dbraw/zinc/38/07/04/409380704.db2.gz ZBXDDHWPOKDORQ-UHFFFAOYSA-N 0 3 181.283 2.030 20 0 AEADHN CCCN(Cc1cnc[nH]1)C(C)C 653798989 409380706 /nfs/dbraw/zinc/38/07/06/409380706.db2.gz ZBXDDHWPOKDORQ-UHFFFAOYSA-N 0 3 181.283 2.030 20 0 AEADHN CCCC[C@H](C)NCc1ncc[nH]1 50887838 409380795 /nfs/dbraw/zinc/38/07/95/409380795.db2.gz QAWSJULFRMCVMC-VIFPVBQESA-N 0 3 181.283 2.078 20 0 AEADHN CCCN(CCOC)Cc1ccco1 58183166 409395083 /nfs/dbraw/zinc/39/50/83/409395083.db2.gz CBAPFELXWMXQFQ-UHFFFAOYSA-N 0 3 197.278 2.138 20 0 AEADHN CCc1nc(CNCC(C)C)cs1 54918091 409395840 /nfs/dbraw/zinc/39/58/40/409395840.db2.gz OFNUZDCXPXFWLS-UHFFFAOYSA-N 0 3 198.335 2.451 20 0 AEADHN CC(C)CCN1CCOC(C)(C)C1 59482736 409397764 /nfs/dbraw/zinc/39/77/64/409397764.db2.gz XCOICSJNGRTGLN-UHFFFAOYSA-N 0 3 185.311 2.143 20 0 AEADHN c1cc(CN[C@@H]2CCSC2)cs1 63152135 409405683 /nfs/dbraw/zinc/40/56/83/409405683.db2.gz QHCUGTOLBSBXPX-SECBINFHSA-N 0 3 199.344 2.343 20 0 AEADHN c1cc(CN[C@H]2CCSC2)cs1 63152137 409405769 /nfs/dbraw/zinc/40/57/69/409405769.db2.gz QHCUGTOLBSBXPX-VIFPVBQESA-N 0 3 199.344 2.343 20 0 AEADHN CCCn1nccc1CNC(C)(C)C 69049581 409409424 /nfs/dbraw/zinc/40/94/24/409409424.db2.gz AOIZVFDRCOACDL-UHFFFAOYSA-N 0 3 195.310 2.181 20 0 AEADHN CC[C@@H](C)N[C@@H]1CCCn2ccnc21 655683995 409413002 /nfs/dbraw/zinc/41/30/02/409413002.db2.gz LKGYOOXYKFQHIW-NXEZZACHSA-N 0 3 193.294 2.106 20 0 AEADHN CCCCN[C@H]1CCCn2ccnc21 655684005 409413225 /nfs/dbraw/zinc/41/32/25/409413225.db2.gz LZSNDFSNXKHPSK-JTQLQIEISA-N 0 3 193.294 2.108 20 0 AEADHN CC[C@H](C)N[C@H]1CCCn2ccnc21 655683996 409413320 /nfs/dbraw/zinc/41/33/20/409413320.db2.gz LKGYOOXYKFQHIW-UWVGGRQHSA-N 0 3 193.294 2.106 20 0 AEADHN CCCNCc1ccc(OC)cc1F 69803540 409413485 /nfs/dbraw/zinc/41/34/85/409413485.db2.gz SPGZMNOLMKOPRC-UHFFFAOYSA-N 0 3 197.253 2.334 20 0 AEADHN CCCCN[C@@H]1CCCn2ccnc21 655684006 409413675 /nfs/dbraw/zinc/41/36/75/409413675.db2.gz LZSNDFSNXKHPSK-SNVBAGLBSA-N 0 3 193.294 2.108 20 0 AEADHN CC[C@@H](C)N[C@H]1CCCn2ccnc21 655683998 409413929 /nfs/dbraw/zinc/41/39/29/409413929.db2.gz LKGYOOXYKFQHIW-ZJUUUORDSA-N 0 3 193.294 2.106 20 0 AEADHN CC[C@H](C)N[C@@H]1CCCn2ccnc21 655683997 409414502 /nfs/dbraw/zinc/41/45/02/409414502.db2.gz LKGYOOXYKFQHIW-VHSXEESVSA-N 0 3 193.294 2.106 20 0 AEADHN CC1(NCc2ccccn2)CC=CC1 655815060 409417465 /nfs/dbraw/zinc/41/74/65/409417465.db2.gz UFTVZSSUGVTRMM-UHFFFAOYSA-N 0 3 188.274 2.280 20 0 AEADHN CC1(NCc2cncs2)CC=CC1 655814002 409418229 /nfs/dbraw/zinc/41/82/29/409418229.db2.gz GCEKICORSRNSGO-UHFFFAOYSA-N 0 3 194.303 2.341 20 0 AEADHN CC1(NCc2ccco2)CC=CC1 655814707 409418257 /nfs/dbraw/zinc/41/82/57/409418257.db2.gz OLHUDRPKVOJCMZ-UHFFFAOYSA-N 0 3 177.247 2.478 20 0 AEADHN CC1(NCc2nccs2)CC=CC1 655814658 409418323 /nfs/dbraw/zinc/41/83/23/409418323.db2.gz OPBYQEWMFJTALZ-UHFFFAOYSA-N 0 3 194.303 2.341 20 0 AEADHN CCCN(Cc1c[nH]nc1C)C(C)C 656268644 409426832 /nfs/dbraw/zinc/42/68/32/409426832.db2.gz FDINHOJXSMJRLU-UHFFFAOYSA-N 0 3 195.310 2.339 20 0 AEADHN CCCN(Cc1cn[nH]c1)C(C)C 656268784 409427692 /nfs/dbraw/zinc/42/76/92/409427692.db2.gz GJKNHPHGHISXBY-UHFFFAOYSA-N 0 3 181.283 2.030 20 0 AEADHN CCC(C)(C)N(C)Cc1cnccn1 656438215 409429688 /nfs/dbraw/zinc/42/96/88/409429688.db2.gz UQSIPHSDMHLOFS-UHFFFAOYSA-N 0 3 193.294 2.097 20 0 AEADHN CC(C)Cn1nccc1CNC(C)C 70631736 409433094 /nfs/dbraw/zinc/43/30/94/409433094.db2.gz DXYQGXHRBSHIRW-UHFFFAOYSA-N 0 3 195.310 2.037 20 0 AEADHN CCCC[C@@H](CC)NCc1ncc[nH]1 70646394 409435270 /nfs/dbraw/zinc/43/52/70/409435270.db2.gz YWFONTORZPYICM-SNVBAGLBSA-N 0 3 195.310 2.468 20 0 AEADHN CCCC(CCC)NCc1ncc[nH]1 70646284 409435298 /nfs/dbraw/zinc/43/52/98/409435298.db2.gz IPXOZAKBNYZIGP-UHFFFAOYSA-N 0 3 195.310 2.468 20 0 AEADHN CCCC[C@H](CC)NCc1ncc[nH]1 70646395 409435402 /nfs/dbraw/zinc/43/54/02/409435402.db2.gz YWFONTORZPYICM-JTQLQIEISA-N 0 3 195.310 2.468 20 0 AEADHN c1cc(CN[C@@H]2CCCOC2)cs1 71011144 409437679 /nfs/dbraw/zinc/43/76/79/409437679.db2.gz ABMOCSRCJDNYEE-SNVBAGLBSA-N 0 3 197.303 2.017 20 0 AEADHN CC(C)OC1CC(N2CC=CCC2)C1 656494747 409437987 /nfs/dbraw/zinc/43/79/87/409437987.db2.gz NIPLFPUKJYOWNS-UHFFFAOYSA-N 0 3 195.306 2.204 20 0 AEADHN COC1(C)CN(C[C@H](C)C(C)(C)C)C1 656621238 409444311 /nfs/dbraw/zinc/44/43/11/409444311.db2.gz NHMAZNBFSROGAQ-JTQLQIEISA-N 0 3 199.338 2.389 20 0 AEADHN COC1(C)CN(C[C@@H](C)C(C)(C)C)C1 656621239 409444380 /nfs/dbraw/zinc/44/43/80/409444380.db2.gz NHMAZNBFSROGAQ-SNVBAGLBSA-N 0 3 199.338 2.389 20 0 AEADHN CCOC1CN(C[C@@H]2CC=CCC2)C1 656657901 409444695 /nfs/dbraw/zinc/44/46/95/409444695.db2.gz JANGVARQDLQMMN-LLVKDONJSA-N 0 3 195.306 2.063 20 0 AEADHN CCOC1CN(CCC(C)(C)C)C1 656657867 409444818 /nfs/dbraw/zinc/44/48/18/409444818.db2.gz BXXYGPDWNOQBPJ-UHFFFAOYSA-N 0 3 185.311 2.143 20 0 AEADHN CCOC1CN(CC2CCCCC2)C1 656657938 409444844 /nfs/dbraw/zinc/44/48/44/409444844.db2.gz PZXCHIGNOYXOIW-UHFFFAOYSA-N 0 3 197.322 2.287 20 0 AEADHN COC1(C)CN(CC2CCCCC2)C1 656622445 409445017 /nfs/dbraw/zinc/44/50/17/409445017.db2.gz AXVVUCFGQGJMLF-UHFFFAOYSA-N 0 3 197.322 2.287 20 0 AEADHN COC1(C)CN(CCC(C)(C)C)C1 656622484 409445068 /nfs/dbraw/zinc/44/50/68/409445068.db2.gz GSNJOGIZADWFTK-UHFFFAOYSA-N 0 3 185.311 2.143 20 0 AEADHN CCOC1CN(CC(CC)CC)C1 656657860 409445102 /nfs/dbraw/zinc/44/51/02/409445102.db2.gz AUXHTHSVNOZZRM-UHFFFAOYSA-N 0 3 185.311 2.143 20 0 AEADHN CCOC1CN(C[C@H](C)C(C)(C)C)C1 656657043 409445598 /nfs/dbraw/zinc/44/55/98/409445598.db2.gz ADPLXUIBVXCZDP-JTQLQIEISA-N 0 3 199.338 2.389 20 0 AEADHN CCOC1CN(C[C@H]2CC=CCC2)C1 656657902 409445826 /nfs/dbraw/zinc/44/58/26/409445826.db2.gz JANGVARQDLQMMN-NSHDSACASA-N 0 3 195.306 2.063 20 0 AEADHN CCOC1CN(C[C@@H](C)C(C)(C)C)C1 656657044 409445906 /nfs/dbraw/zinc/44/59/06/409445906.db2.gz ADPLXUIBVXCZDP-SNVBAGLBSA-N 0 3 199.338 2.389 20 0 AEADHN COCC1(C)CN(CCCC(C)C)C1 656780078 409450667 /nfs/dbraw/zinc/45/06/67/409450667.db2.gz JASGEKWRVXFSFW-UHFFFAOYSA-N 0 3 199.338 2.391 20 0 AEADHN COCCC1(C)CN(CC2(C)CC2)C1 656796699 409453186 /nfs/dbraw/zinc/45/31/86/409453186.db2.gz CNQHNRVYVZYKRM-UHFFFAOYSA-N 0 3 197.322 2.145 20 0 AEADHN C[C@@H](CF)NCc1ccccc1 107121343 409457190 /nfs/dbraw/zinc/45/71/90/409457190.db2.gz QDEDQSVMGQWILD-VIFPVBQESA-N 0 3 167.227 2.134 20 0 AEADHN CC[C@H]1CC[C@H]1NCc1cnc(C)o1 657102886 409457774 /nfs/dbraw/zinc/45/77/74/409457774.db2.gz QVTGJDNSLTYTQH-GXSJLCMTSA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@@H]1CC[C@@H]1NCc1cnc(C)o1 657102887 409457985 /nfs/dbraw/zinc/45/79/85/409457985.db2.gz QVTGJDNSLTYTQH-KOLCDFICSA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@H]1CC[C@@H]1NCc1cnc(C)o1 657102889 409458042 /nfs/dbraw/zinc/45/80/42/409458042.db2.gz QVTGJDNSLTYTQH-ONGXEEELSA-N 0 3 194.278 2.261 20 0 AEADHN CC[C@@H]1CC[C@H]1NCc1cnc(C)o1 657102888 409458133 /nfs/dbraw/zinc/45/81/33/409458133.db2.gz QVTGJDNSLTYTQH-MWLCHTKSSA-N 0 3 194.278 2.261 20 0 AEADHN CCC[C@@H](C)N[C@H](C)c1ccn(C)n1 657225359 409458485 /nfs/dbraw/zinc/45/84/85/409458485.db2.gz CMTGEHQNXCWPKS-NXEZZACHSA-N 0 3 195.310 2.259 20 0 AEADHN CC(C)=CCN1CCC[C@@H]2COC[C@@H]21 657215725 409458530 /nfs/dbraw/zinc/45/85/30/409458530.db2.gz YOPITOOUDAOXBG-NEPJUHHUSA-N 0 3 195.306 2.063 20 0 AEADHN CC[C@@H](C)CN[C@H](C)c1ccn(C)n1 657227213 409458626 /nfs/dbraw/zinc/45/86/26/409458626.db2.gz BVRNNDHCIGSKNP-NXEZZACHSA-N 0 3 195.310 2.117 20 0 AEADHN CCC[C@H](C)N[C@@H](C)c1ccn(C)n1 657225361 409458680 /nfs/dbraw/zinc/45/86/80/409458680.db2.gz CMTGEHQNXCWPKS-UWVGGRQHSA-N 0 3 195.310 2.259 20 0 AEADHN c1cnc2c(c1)[C@H](NC1CC1)CCC2 107419477 409458725 /nfs/dbraw/zinc/45/87/25/409458725.db2.gz KZMVUBXTPFRPHL-GFCCVEGCSA-N 0 3 188.274 2.211 20 0 AEADHN CC(=O)CN1CCC[C@@H]1C(C)(C)C 108296191 409458770 /nfs/dbraw/zinc/45/87/70/409458770.db2.gz JHWISKRQXBRNIG-SNVBAGLBSA-N 0 3 183.295 2.086 20 0 AEADHN CC[C@H](C)CN[C@H](C)c1ccn(C)n1 657227218 409458793 /nfs/dbraw/zinc/45/87/93/409458793.db2.gz BVRNNDHCIGSKNP-VHSXEESVSA-N 0 3 195.310 2.117 20 0 AEADHN CC(C)[C@H](C)N[C@H](C)c1ccn(C)n1 657225371 409458823 /nfs/dbraw/zinc/45/88/23/409458823.db2.gz CSULNSMQKIIELU-VHSXEESVSA-N 0 3 195.310 2.115 20 0 AEADHN CC(C)[C@@H](C)N[C@H](C)c1ccn(C)n1 657225366 409458936 /nfs/dbraw/zinc/45/89/36/409458936.db2.gz CSULNSMQKIIELU-NXEZZACHSA-N 0 3 195.310 2.115 20 0 AEADHN CCC[C@H](C)N[C@H](C)c1ccn(C)n1 657225363 409458994 /nfs/dbraw/zinc/45/89/94/409458994.db2.gz CMTGEHQNXCWPKS-VHSXEESVSA-N 0 3 195.310 2.259 20 0 AEADHN CC(=O)CN1CCC[C@H]1C(C)(C)C 108296192 409459018 /nfs/dbraw/zinc/45/90/18/409459018.db2.gz JHWISKRQXBRNIG-JTQLQIEISA-N 0 3 183.295 2.086 20 0 AEADHN CC(C)[C@H](C)N[C@@H](C)c1ccn(C)n1 657225370 409459084 /nfs/dbraw/zinc/45/90/84/409459084.db2.gz CSULNSMQKIIELU-UWVGGRQHSA-N 0 3 195.310 2.115 20 0 AEADHN CC[C@H](C)CN[C@@H](C)c1ccn(C)n1 657227216 409459286 /nfs/dbraw/zinc/45/92/86/409459286.db2.gz BVRNNDHCIGSKNP-UWVGGRQHSA-N 0 3 195.310 2.117 20 0 AEADHN CCC[C@@H](C)N[C@@H](C)c1ccn(C)n1 657225365 409459317 /nfs/dbraw/zinc/45/93/17/409459317.db2.gz CMTGEHQNXCWPKS-ZJUUUORDSA-N 0 3 195.310 2.259 20 0 AEADHN CC(C)[C@@H](C)N[C@@H](C)c1ccn(C)n1 657225373 409459359 /nfs/dbraw/zinc/45/93/59/409459359.db2.gz CSULNSMQKIIELU-ZJUUUORDSA-N 0 3 195.310 2.115 20 0 AEADHN CC[C@@H](C)CN[C@@H](C)c1ccn(C)n1 657227221 409459454 /nfs/dbraw/zinc/45/94/54/409459454.db2.gz BVRNNDHCIGSKNP-ZJUUUORDSA-N 0 3 195.310 2.117 20 0 AEADHN CC(=O)CN1CCCC[C@@H]1C(C)C 108296186 409459488 /nfs/dbraw/zinc/45/94/88/409459488.db2.gz LEDZCWITKOMBPX-LLVKDONJSA-N 0 3 183.295 2.086 20 0 AEADHN CC(=O)CN1CCCC[C@H]1C(C)C 108296185 409459508 /nfs/dbraw/zinc/45/95/08/409459508.db2.gz LEDZCWITKOMBPX-NSHDSACASA-N 0 3 183.295 2.086 20 0 AEADHN c1cnc2c(c1)[C@@H](NC1CC1)CCC2 107419475 409459898 /nfs/dbraw/zinc/45/98/98/409459898.db2.gz KZMVUBXTPFRPHL-LBPRGKRZSA-N 0 3 188.274 2.211 20 0 AEADHN CC(C)CCN[C@H](C)c1ccn(C)n1 657227330 409460493 /nfs/dbraw/zinc/46/04/93/409460493.db2.gz MNGPSIOUQJZQHX-SNVBAGLBSA-N 0 3 195.310 2.117 20 0 AEADHN CC(C)CCN[C@@H](C)c1ccn(C)n1 657227329 409460479 /nfs/dbraw/zinc/46/04/79/409460479.db2.gz MNGPSIOUQJZQHX-JTQLQIEISA-N 0 3 195.310 2.117 20 0 AEADHN CCC(CC)N[C@H](C)c1ccn(C)n1 657227275 409460608 /nfs/dbraw/zinc/46/06/08/409460608.db2.gz GOHUNIIWBHBTPW-SECBINFHSA-N 0 3 195.310 2.259 20 0 AEADHN CCC(CC)N[C@@H](C)c1ccn(C)n1 657227277 409461207 /nfs/dbraw/zinc/46/12/07/409461207.db2.gz GOHUNIIWBHBTPW-VIFPVBQESA-N 0 3 195.310 2.259 20 0 AEADHN C[C@@H](CNCc1ccco1)C1CC1 109134135 409461877 /nfs/dbraw/zinc/46/18/77/409461877.db2.gz BBSPMUFYKSDBGE-VIFPVBQESA-N 0 3 179.263 2.415 20 0 AEADHN C[C@H](CNCc1ccco1)C1CC1 109134137 409462087 /nfs/dbraw/zinc/46/20/87/409462087.db2.gz BBSPMUFYKSDBGE-SECBINFHSA-N 0 3 179.263 2.415 20 0 AEADHN COCc1csc(CNC2CC2)c1 657285695 409465687 /nfs/dbraw/zinc/46/56/87/409465687.db2.gz MWDNRYRCBVIWCI-UHFFFAOYSA-N 0 3 197.303 2.147 20 0 AEADHN CCC[C@@H](C)NCc1nc(C)c(C)[nH]1 657283659 409465942 /nfs/dbraw/zinc/46/59/42/409465942.db2.gz FNZAVLZUNOKTLJ-MRVPVSSYSA-N 0 3 195.310 2.305 20 0 AEADHN CCCCNCc1nccn1C(C)C 657285698 409466147 /nfs/dbraw/zinc/46/61/47/409466147.db2.gz GZWMGYQXDGZHNZ-UHFFFAOYSA-N 0 3 195.310 2.354 20 0 AEADHN CCC[C@H](C)NCc1nc(C)c(C)[nH]1 657283660 409466335 /nfs/dbraw/zinc/46/63/35/409466335.db2.gz FNZAVLZUNOKTLJ-QMMMGPOBSA-N 0 3 195.310 2.305 20 0 AEADHN Cc1c[nH]c(CNC2CCCCC2)n1 657289662 409467108 /nfs/dbraw/zinc/46/71/08/409467108.db2.gz HDPJLZCOFFMSJI-UHFFFAOYSA-N 0 3 193.294 2.140 20 0 AEADHN CC[C@@H](C)NCc1nccn1C(C)C 657286677 409467335 /nfs/dbraw/zinc/46/73/35/409467335.db2.gz BBZCUSLDSCWATJ-SNVBAGLBSA-N 0 3 195.310 2.352 20 0 AEADHN CC[C@H](C)NCc1nccn1C(C)C 657286675 409467804 /nfs/dbraw/zinc/46/78/04/409467804.db2.gz BBZCUSLDSCWATJ-JTQLQIEISA-N 0 3 195.310 2.352 20 0 AEADHN CCC(CC)NCc1nc(C)c(C)[nH]1 657286668 409468094 /nfs/dbraw/zinc/46/80/94/409468094.db2.gz RPEBIPCNPNZFBD-UHFFFAOYSA-N 0 3 195.310 2.305 20 0 AEADHN CC(C)CNCc1nccn1C(C)C 657285964 409468198 /nfs/dbraw/zinc/46/81/98/409468198.db2.gz JLJDGRHMQDPMAE-UHFFFAOYSA-N 0 3 195.310 2.210 20 0 AEADHN CCCCCN[C@H](C)c1ccn(C)n1 657312172 409469505 /nfs/dbraw/zinc/46/95/05/409469505.db2.gz DMCMPGGODUHPNS-SNVBAGLBSA-N 0 3 195.310 2.261 20 0 AEADHN Cc1c[nH]c(CNCCC(C)(C)C)n1 657300645 409469570 /nfs/dbraw/zinc/46/95/70/409469570.db2.gz IWXZAQSXRRPREA-UHFFFAOYSA-N 0 3 195.310 2.244 20 0 AEADHN Cc1c[nH]c(CNCCCC(C)C)n1 657296932 409469767 /nfs/dbraw/zinc/46/97/67/409469767.db2.gz FFIVQLGIXHUECI-UHFFFAOYSA-N 0 3 195.310 2.244 20 0 AEADHN CCCCCN[C@@H](C)c1ccn(C)n1 657312170 409469967 /nfs/dbraw/zinc/46/99/67/409469967.db2.gz DMCMPGGODUHPNS-JTQLQIEISA-N 0 3 195.310 2.261 20 0 AEADHN Cc1nc(CNCC(C)(C)C)[nH]c1C 657328452 409470237 /nfs/dbraw/zinc/47/02/37/409470237.db2.gz WBUGKGGKZNADFD-UHFFFAOYSA-N 0 3 195.310 2.162 20 0 AEADHN Cc1c[nH]c(CNC(C)(C)C(C)C)n1 657356094 409471859 /nfs/dbraw/zinc/47/18/59/409471859.db2.gz HTDFRNRBDJOWIT-UHFFFAOYSA-N 0 3 195.310 2.242 20 0 AEADHN CC[C@@H](C)[C@H](C)NCc1nc(C)c[nH]1 657330468 409471967 /nfs/dbraw/zinc/47/19/67/409471967.db2.gz WHDDYGBZSUNLCR-SCZZXKLOSA-N 0 3 195.310 2.242 20 0 AEADHN Cc1c[nH]c(CNC2(C)CCCC2)n1 657344989 409471996 /nfs/dbraw/zinc/47/19/96/409471996.db2.gz GMDIMXNXVBCHMH-UHFFFAOYSA-N 0 3 193.294 2.140 20 0 AEADHN CC[C@H](C)[C@H](C)NCc1nc(C)c[nH]1 657330471 409472052 /nfs/dbraw/zinc/47/20/52/409472052.db2.gz WHDDYGBZSUNLCR-WPRPVWTQSA-N 0 3 195.310 2.242 20 0 AEADHN CCC(C)(C)NCc1nc(C)c(C)[nH]1 657338642 409472182 /nfs/dbraw/zinc/47/21/82/409472182.db2.gz DJFGJYLRGZXLHY-UHFFFAOYSA-N 0 3 195.310 2.305 20 0 AEADHN CC[C@@H](C)[C@@H](C)NCc1nc(C)c[nH]1 657330466 409472250 /nfs/dbraw/zinc/47/22/50/409472250.db2.gz WHDDYGBZSUNLCR-PSASIEDQSA-N 0 3 195.310 2.242 20 0 AEADHN CC[C@H](C)[C@@H](C)NCc1nc(C)c[nH]1 657330469 409472338 /nfs/dbraw/zinc/47/23/38/409472338.db2.gz WHDDYGBZSUNLCR-WCBMZHEXSA-N 0 3 195.310 2.242 20 0 AEADHN CCCC(C)(C)NCc1nc(C)c[nH]1 657356889 409472507 /nfs/dbraw/zinc/47/25/07/409472507.db2.gz UMTNBTJCTMJNEO-UHFFFAOYSA-N 0 3 195.310 2.386 20 0 AEADHN CCC[C@@H](CC)NCc1nc(C)c[nH]1 657348657 409472573 /nfs/dbraw/zinc/47/25/73/409472573.db2.gz CSOHMLADPUGMAA-SNVBAGLBSA-N 0 3 195.310 2.386 20 0 AEADHN CCC[C@H](CC)NCc1nc(C)c[nH]1 657348656 409472735 /nfs/dbraw/zinc/47/27/35/409472735.db2.gz CSOHMLADPUGMAA-JTQLQIEISA-N 0 3 195.310 2.386 20 0 AEADHN CC(C)=CCCNCc1nc(C)c[nH]1 657446298 409475496 /nfs/dbraw/zinc/47/54/96/409475496.db2.gz CQCAKVWOJBJPSM-UHFFFAOYSA-N 0 3 193.294 2.164 20 0 AEADHN Cc1nc(CNC2(C)CCC2)[nH]c1C 657415351 409475653 /nfs/dbraw/zinc/47/56/53/409475653.db2.gz CSWAQPXYGJSULJ-UHFFFAOYSA-N 0 3 193.294 2.059 20 0 AEADHN CCC(C)(C)CNCc1nc(C)c[nH]1 657446178 409475835 /nfs/dbraw/zinc/47/58/35/409475835.db2.gz FGLIZQUOAFMELJ-UHFFFAOYSA-N 0 3 195.310 2.244 20 0 AEADHN Cc1c[nH]c(CN[C@@H](C)CC(C)C)n1 657414229 409475858 /nfs/dbraw/zinc/47/58/58/409475858.db2.gz LCSXWZGQJDPJPC-VIFPVBQESA-N 0 3 195.310 2.242 20 0 AEADHN Cc1c[nH]c(CN[C@H](C)CC(C)C)n1 657414228 409476557 /nfs/dbraw/zinc/47/65/57/409476557.db2.gz LCSXWZGQJDPJPC-SECBINFHSA-N 0 3 195.310 2.242 20 0 AEADHN CCC1(NCc2nc(C)c(C)[nH]2)CC1 657478679 409477790 /nfs/dbraw/zinc/47/77/90/409477790.db2.gz MGLXLEZVTNPBDQ-UHFFFAOYSA-N 0 3 193.294 2.059 20 0 AEADHN c1ncc(CN[C@]23CCC[C@H]2C3)s1 657550546 409478925 /nfs/dbraw/zinc/47/89/25/409478925.db2.gz JEXYOGXJFVAILZ-WPRPVWTQSA-N 0 3 194.303 2.175 20 0 AEADHN c1cncc(CN[C@@]23CCC[C@@H]2C3)c1 657549909 409478958 /nfs/dbraw/zinc/47/89/58/409478958.db2.gz FZEMMNAJDISSON-VXGBXAGGSA-N 0 3 188.274 2.114 20 0 AEADHN c1ccc(CN[C@@]23CCC[C@@H]2C3)nc1 657549611 409479240 /nfs/dbraw/zinc/47/92/40/409479240.db2.gz FAMCBQQWJSGWDS-ZYHUDNBSSA-N 0 3 188.274 2.114 20 0 AEADHN c1cncc(CN[C@]23CCC[C@H]2C3)c1 657549908 409479790 /nfs/dbraw/zinc/47/97/90/409479790.db2.gz FZEMMNAJDISSON-RYUDHWBXSA-N 0 3 188.274 2.114 20 0 AEADHN c1ncc(CN[C@@]23CCC[C@@H]2C3)s1 657550540 409479975 /nfs/dbraw/zinc/47/99/75/409479975.db2.gz JEXYOGXJFVAILZ-PSASIEDQSA-N 0 3 194.303 2.175 20 0 AEADHN c1ccc(CN[C@]23CCC[C@H]2C3)nc1 657549609 409480119 /nfs/dbraw/zinc/48/01/19/409480119.db2.gz FAMCBQQWJSGWDS-JQWIXIFHSA-N 0 3 188.274 2.114 20 0 AEADHN Cc1nocc1CN[C@]12CCC[C@H]1C2 657551995 409480868 /nfs/dbraw/zinc/48/08/68/409480868.db2.gz MMCASMVMIGUPCA-QWRGUYRKSA-N 0 3 192.262 2.015 20 0 AEADHN c1coc(CN[C@]23CCC[C@H]2C3)c1 657552187 409481013 /nfs/dbraw/zinc/48/10/13/409481013.db2.gz RBHMVECGLISXOR-ONGXEEELSA-N 0 3 177.247 2.312 20 0 AEADHN c1coc(CN[C@@]23CCC[C@@H]2C3)c1 657552185 409481472 /nfs/dbraw/zinc/48/14/72/409481472.db2.gz RBHMVECGLISXOR-MWLCHTKSSA-N 0 3 177.247 2.312 20 0 AEADHN Cc1nocc1CN[C@@]12CCC[C@@H]1C2 657551993 409481576 /nfs/dbraw/zinc/48/15/76/409481576.db2.gz MMCASMVMIGUPCA-GHMZBOCLSA-N 0 3 192.262 2.015 20 0 AEADHN CC[C@H](C)CCNCc1n[nH]cc1C 657586478 409482419 /nfs/dbraw/zinc/48/24/19/409482419.db2.gz INTPWQLJOMITIL-VIFPVBQESA-N 0 3 195.310 2.244 20 0 AEADHN CC[C@@H](C)CCNCc1nc(C)c[nH]1 657586865 409482810 /nfs/dbraw/zinc/48/28/10/409482810.db2.gz NEIDKUQYUCDDHF-SECBINFHSA-N 0 3 195.310 2.244 20 0 AEADHN CC[C@@H](C)CCNCc1n[nH]cc1C 657586477 409482660 /nfs/dbraw/zinc/48/26/60/409482660.db2.gz INTPWQLJOMITIL-SECBINFHSA-N 0 3 195.310 2.244 20 0 AEADHN CC[C@H](C)CCNCc1nc(C)c[nH]1 657586866 409483177 /nfs/dbraw/zinc/48/31/77/409483177.db2.gz NEIDKUQYUCDDHF-VIFPVBQESA-N 0 3 195.310 2.244 20 0 AEADHN CC(C)(F)CCNCc1cccnc1 657644583 409488273 /nfs/dbraw/zinc/48/82/73/409488273.db2.gz PNJNSTCLGSNXEI-UHFFFAOYSA-N 0 3 196.269 2.309 20 0 AEADHN c1coc(CNCCc2ccoc2)c1 657652469 409488295 /nfs/dbraw/zinc/48/82/95/409488295.db2.gz MYHDLCKCGHWDQY-UHFFFAOYSA-N 0 3 191.230 2.205 20 0 AEADHN CC(C)(F)CCNCc1ccccn1 657644980 409488391 /nfs/dbraw/zinc/48/83/91/409488391.db2.gz XBOLFYUYFGDZGB-UHFFFAOYSA-N 0 3 196.269 2.309 20 0 AEADHN Cc1noc(C)c1CNC1CC=CC1 132555062 409489297 /nfs/dbraw/zinc/48/92/97/409489297.db2.gz AHSVFWNMLXSXQT-UHFFFAOYSA-N 0 3 192.262 2.100 20 0 AEADHN c1cc(CNCCCC2CCC2)n[nH]1 657665866 409489996 /nfs/dbraw/zinc/48/99/96/409489996.db2.gz IHQNKGMURYMTFN-UHFFFAOYSA-N 0 3 193.294 2.080 20 0 AEADHN c1c[nH]c(CNCCCC2CCC2)n1 657664921 409490235 /nfs/dbraw/zinc/49/02/35/409490235.db2.gz BFSXALCPTGRXKD-UHFFFAOYSA-N 0 3 193.294 2.080 20 0 AEADHN CC1(C)C[C@@]1(C)NCc1cccnc1 657760341 409491520 /nfs/dbraw/zinc/49/15/20/409491520.db2.gz GYZACBWWMABGLL-GFCCVEGCSA-N 0 3 190.290 2.360 20 0 AEADHN Cn1cccc1CNCC1=CCCC1 657747977 409491679 /nfs/dbraw/zinc/49/16/79/409491679.db2.gz BKVNYOMGPQCJTJ-UHFFFAOYSA-N 0 3 190.290 2.225 20 0 AEADHN CC1(C)C[C@@]1(C)NCc1ccccn1 657760737 409491856 /nfs/dbraw/zinc/49/18/56/409491856.db2.gz QPWSIWJJCFRJMM-GFCCVEGCSA-N 0 3 190.290 2.360 20 0 AEADHN CC1(C)C[C@@]1(C)NCc1ccncc1 657760470 409491872 /nfs/dbraw/zinc/49/18/72/409491872.db2.gz IOBFRCFOOSFZOO-GFCCVEGCSA-N 0 3 190.290 2.360 20 0 AEADHN CC1(C)C[C@]1(C)NCc1ccccn1 657760738 409491887 /nfs/dbraw/zinc/49/18/87/409491887.db2.gz QPWSIWJJCFRJMM-LBPRGKRZSA-N 0 3 190.290 2.360 20 0 AEADHN C1=C(CNCc2cc[nH]c2)CCC1 657749847 409491906 /nfs/dbraw/zinc/49/19/06/409491906.db2.gz PUIIKJNHATVYCE-UHFFFAOYSA-N 0 3 176.263 2.215 20 0 AEADHN Cn1ccc(CNCC2=CCCC2)c1 657750030 409491924 /nfs/dbraw/zinc/49/19/24/409491924.db2.gz XUZOOPNFJKEKLB-UHFFFAOYSA-N 0 3 190.290 2.225 20 0 AEADHN CC1(C)C[C@]1(C)NCc1ccncc1 657760471 409491996 /nfs/dbraw/zinc/49/19/96/409491996.db2.gz IOBFRCFOOSFZOO-LBPRGKRZSA-N 0 3 190.290 2.360 20 0 AEADHN CC1(C)C[C@]1(C)NCc1cccnc1 657760342 409492055 /nfs/dbraw/zinc/49/20/55/409492055.db2.gz GYZACBWWMABGLL-LBPRGKRZSA-N 0 3 190.290 2.360 20 0 AEADHN CC(C)CC1(NCc2cc[nH]n2)CC1 657774724 409493036 /nfs/dbraw/zinc/49/30/36/409493036.db2.gz JLCSWJONMBUSFE-UHFFFAOYSA-N 0 3 193.294 2.078 20 0 AEADHN CC(C)CC1(NCc2cn[nH]c2)CC1 657774816 409493109 /nfs/dbraw/zinc/49/31/09/409493109.db2.gz LMJJFQQIPICBGM-UHFFFAOYSA-N 0 3 193.294 2.078 20 0 AEADHN CC1(C)C[C@]1(C)NCc1cncs1 657761627 409493246 /nfs/dbraw/zinc/49/32/46/409493246.db2.gz PLQFUGNIMRKRCH-JTQLQIEISA-N 0 3 196.319 2.421 20 0 AEADHN CO[C@@]1(C)C[C@H]1NCc1cccs1 657788362 409493842 /nfs/dbraw/zinc/49/38/42/409493842.db2.gz JOLNFYVJRYZVJV-ZJUUUORDSA-N 0 3 197.303 2.015 20 0 AEADHN CC1(C)C[C@@]1(C)NCc1cncs1 657761628 409493856 /nfs/dbraw/zinc/49/38/56/409493856.db2.gz PLQFUGNIMRKRCH-SNVBAGLBSA-N 0 3 196.319 2.421 20 0 AEADHN CC(C)CC1(NCc2ncc[nH]2)CC1 657776310 409494320 /nfs/dbraw/zinc/49/43/20/409494320.db2.gz YZWVPKYFTPXDHP-UHFFFAOYSA-N 0 3 193.294 2.078 20 0 AEADHN CO[C@@]1(C)C[C@H]1NCc1ccsc1 657787458 409494375 /nfs/dbraw/zinc/49/43/75/409494375.db2.gz BXJTYCFRXMDXCD-ZJUUUORDSA-N 0 3 197.303 2.015 20 0 AEADHN C[C@@H](NCCC(C)(C)F)c1cn[nH]c1 658191232 409511766 /nfs/dbraw/zinc/51/17/66/409511766.db2.gz NNAHKKPNQZMRSF-MRVPVSSYSA-N 0 3 199.273 2.199 20 0 AEADHN C[C@H](N[C@]1(C)CC1(C)C)c1cn[nH]c1 658304782 409513367 /nfs/dbraw/zinc/51/33/67/409513367.db2.gz PTTHSQYZOUOERP-GZMMTYOYSA-N 0 3 193.294 2.249 20 0 AEADHN C[C@H](N[C@@]1(C)CC1(C)C)c1cn[nH]c1 658304788 409513416 /nfs/dbraw/zinc/51/34/16/409513416.db2.gz PTTHSQYZOUOERP-KWQFWETISA-N 0 3 193.294 2.249 20 0 AEADHN C[C@@H](N[C@]1(C)CC1(C)C)c1cn[nH]c1 658304789 409513431 /nfs/dbraw/zinc/51/34/31/409513431.db2.gz PTTHSQYZOUOERP-LDYMZIIASA-N 0 3 193.294 2.249 20 0 AEADHN C[C@@H](N[C@@]1(C)CC1(C)C)c1cn[nH]c1 658304785 409513510 /nfs/dbraw/zinc/51/35/10/409513510.db2.gz PTTHSQYZOUOERP-KCJUWKMLSA-N 0 3 193.294 2.249 20 0 AEADHN CCCN(C)Cc1c(C)noc1C 219939005 409515915 /nfs/dbraw/zinc/51/59/15/409515915.db2.gz SJDDJUWOHDVSEC-UHFFFAOYSA-N 0 3 182.267 2.133 20 0 AEADHN CC(C)C[C@@H](C)CNCc1ccno1 300875719 409536961 /nfs/dbraw/zinc/53/69/61/409536961.db2.gz IESKSKAYGLNNSL-SNVBAGLBSA-N 0 3 196.294 2.446 20 0 AEADHN CC(C)C[C@H](C)CNCc1ccno1 300875718 409537437 /nfs/dbraw/zinc/53/74/37/409537437.db2.gz IESKSKAYGLNNSL-JTQLQIEISA-N 0 3 196.294 2.446 20 0 AEADHN CCNCc1nc(C2CC2)c(C)s1 300758960 409538270 /nfs/dbraw/zinc/53/82/70/409538270.db2.gz NGZLACVDODAMOX-UHFFFAOYSA-N 0 3 196.319 2.438 20 0 AEADHN CC(C)=CCCN1C[C@@H](C)OC[C@H]1C 659820895 409542447 /nfs/dbraw/zinc/54/24/47/409542447.db2.gz JZLYXZUCPJZLRH-VXGBXAGGSA-N 0 3 197.322 2.452 20 0 AEADHN C[C@H]1CN(CCC2CCC2)[C@@H](C)CO1 659821570 409542488 /nfs/dbraw/zinc/54/24/88/409542488.db2.gz OIBSTRUURXHWEN-QWRGUYRKSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1CN(CCC2CCC2)[C@H](C)CO1 659821569 409542496 /nfs/dbraw/zinc/54/24/96/409542496.db2.gz OIBSTRUURXHWEN-MNOVXSKESA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1CN(CC2CC=CC2)[C@@H](C)CO1 659822827 409542511 /nfs/dbraw/zinc/54/25/11/409542511.db2.gz OZXFHQSRAHGKAF-QWRGUYRKSA-N 0 3 195.306 2.062 20 0 AEADHN CC(C)=CCCN1CCO[C@H](C)C1 659813469 409542741 /nfs/dbraw/zinc/54/27/41/409542741.db2.gz ZICOSVHGSWRSAK-LLVKDONJSA-N 0 3 183.295 2.063 20 0 AEADHN CC1(C)CN(CCC2CCC2)CCO1 659813388 409542827 /nfs/dbraw/zinc/54/28/27/409542827.db2.gz SRDNXVPHPFVRDU-UHFFFAOYSA-N 0 3 197.322 2.287 20 0 AEADHN CC(C)=CCCN1C[C@@H](C)OC[C@@H]1C 659820883 409542835 /nfs/dbraw/zinc/54/28/35/409542835.db2.gz JZLYXZUCPJZLRH-NWDGAFQWSA-N 0 3 197.322 2.452 20 0 AEADHN C[C@H]1CN(CCC2CCC2)C[C@@H](C)O1 659812980 409542876 /nfs/dbraw/zinc/54/28/76/409542876.db2.gz DONHXZQKTXWPAR-PHIMTYICSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1CO[C@H](C)CN1CCC1CCC1 659821572 409542893 /nfs/dbraw/zinc/54/28/93/409542893.db2.gz OIBSTRUURXHWEN-WDEREUQCSA-N 0 3 197.322 2.286 20 0 AEADHN CC(C)=CCCN1C[C@H](C)OC[C@H]1C 659820874 409542946 /nfs/dbraw/zinc/54/29/46/409542946.db2.gz JZLYXZUCPJZLRH-NEPJUHHUSA-N 0 3 197.322 2.452 20 0 AEADHN CC(C)=CCCN1CCOC(C)(C)C1 659812787 409543170 /nfs/dbraw/zinc/54/31/70/409543170.db2.gz NVUXHCXGPRLMRS-UHFFFAOYSA-N 0 3 197.322 2.454 20 0 AEADHN C[C@H]1CN(CC2CC=CC2)C[C@@H](C)O1 659812658 409543878 /nfs/dbraw/zinc/54/38/78/409543878.db2.gz CRVLHPQZLPLTQM-PHIMTYICSA-N 0 3 195.306 2.062 20 0 AEADHN CC(C)=CCCN1CCO[C@@H](C)C1 659813470 409543964 /nfs/dbraw/zinc/54/39/64/409543964.db2.gz ZICOSVHGSWRSAK-NSHDSACASA-N 0 3 183.295 2.063 20 0 AEADHN C[C@@H]1CN(CCCC2CCC2)CCO1 659813457 409544040 /nfs/dbraw/zinc/54/40/40/409544040.db2.gz ZBKZVKFMFIOLQE-LLVKDONJSA-N 0 3 197.322 2.287 20 0 AEADHN C[C@H]1CO[C@H](C)CN1CC1CC=CC1 659822832 409544076 /nfs/dbraw/zinc/54/40/76/409544076.db2.gz OZXFHQSRAHGKAF-WDEREUQCSA-N 0 3 195.306 2.062 20 0 AEADHN C[C@H]1CN(CC2CC=CC2)[C@H](C)CO1 659822825 409544130 /nfs/dbraw/zinc/54/41/30/409544130.db2.gz OZXFHQSRAHGKAF-MNOVXSKESA-N 0 3 195.306 2.062 20 0 AEADHN CC(C)=CCCN1C[C@H](C)O[C@H](C)C1 659814210 409544202 /nfs/dbraw/zinc/54/42/02/409544202.db2.gz OEONNRMKYLPETH-TXEJJXNPSA-N 0 3 197.322 2.452 20 0 AEADHN C[C@H]1CN(CCCC2CCC2)CCO1 659813459 409544426 /nfs/dbraw/zinc/54/44/26/409544426.db2.gz ZBKZVKFMFIOLQE-NSHDSACASA-N 0 3 197.322 2.287 20 0 AEADHN CC1(C)CN(CC2CC=CC2)CCO1 659812686 409544807 /nfs/dbraw/zinc/54/48/07/409544807.db2.gz MWZLQZSEFCVOFQ-UHFFFAOYSA-N 0 3 195.306 2.063 20 0 AEADHN C[C@@H]1CN(CCC2CCC2)[C@H](C)CO1 659821567 409544994 /nfs/dbraw/zinc/54/49/94/409544994.db2.gz OIBSTRUURXHWEN-GHMZBOCLSA-N 0 3 197.322 2.286 20 0 AEADHN CC(C)=CCCN1C[C@H](C)OC[C@@H]1C 659820890 409545074 /nfs/dbraw/zinc/54/50/74/409545074.db2.gz JZLYXZUCPJZLRH-RYUDHWBXSA-N 0 3 197.322 2.452 20 0 AEADHN C[C@@H]1CN(CC2CC=CC2)[C@H](C)CO1 659822820 409545510 /nfs/dbraw/zinc/54/55/10/409545510.db2.gz OZXFHQSRAHGKAF-GHMZBOCLSA-N 0 3 195.306 2.062 20 0 AEADHN CC[C@@H]1CN(CC2CC=CC2)CCO1 659838232 409549848 /nfs/dbraw/zinc/54/98/48/409549848.db2.gz MTQVCJXUXYTISU-GFCCVEGCSA-N 0 3 195.306 2.063 20 0 AEADHN CC[C@H]1CN(CCC2CCC2)CCO1 659839565 409550174 /nfs/dbraw/zinc/55/01/74/409550174.db2.gz YWAOLMDMQIZXQE-LBPRGKRZSA-N 0 3 197.322 2.287 20 0 AEADHN CCC[C@@H](C)N(C)Cc1cn(C)cn1 659836594 409551440 /nfs/dbraw/zinc/55/14/40/409551440.db2.gz SJOXTZMLISBEAQ-SNVBAGLBSA-N 0 3 195.310 2.041 20 0 AEADHN CC[C@H]1CN(CC2CC=CC2)CCO1 659838234 409551603 /nfs/dbraw/zinc/55/16/03/409551603.db2.gz MTQVCJXUXYTISU-LBPRGKRZSA-N 0 3 195.306 2.063 20 0 AEADHN CCC[C@H](C)N(C)Cc1cn(C)cn1 659836593 409552111 /nfs/dbraw/zinc/55/21/11/409552111.db2.gz SJOXTZMLISBEAQ-JTQLQIEISA-N 0 3 195.310 2.041 20 0 AEADHN CC[C@@H]1CN(CCC2CCC2)CCO1 659839563 409552189 /nfs/dbraw/zinc/55/21/89/409552189.db2.gz YWAOLMDMQIZXQE-GFCCVEGCSA-N 0 3 197.322 2.287 20 0 AEADHN CC(C)=CCCN1CCSCC1 659843594 409552509 /nfs/dbraw/zinc/55/25/09/409552509.db2.gz WUBZSMYQVQMWFX-UHFFFAOYSA-N 0 3 185.336 2.392 20 0 AEADHN CC[C@H]1CN(CCC=C(C)C)CCO1 659838919 409552559 /nfs/dbraw/zinc/55/25/59/409552559.db2.gz SOCOTBKLBDMNLV-LBPRGKRZSA-N 0 3 197.322 2.454 20 0 AEADHN CC[C@@H]1CN(CCC=C(C)C)CCO1 659838918 409552778 /nfs/dbraw/zinc/55/27/78/409552778.db2.gz SOCOTBKLBDMNLV-GFCCVEGCSA-N 0 3 197.322 2.454 20 0 AEADHN CC1(C)COCCN1CCC1CCC1 659856611 409554817 /nfs/dbraw/zinc/55/48/17/409554817.db2.gz BUSBHBNGIAGIRN-UHFFFAOYSA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@@H]1COCCN1CCC1CCC1 659933866 409563436 /nfs/dbraw/zinc/56/34/36/409563436.db2.gz JTFJMUVVXABNGF-GFCCVEGCSA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@H]1COCCN1CCC=C(C)C 659933913 409564126 /nfs/dbraw/zinc/56/41/26/409564126.db2.gz KJXCVFBQNGRNSD-LBPRGKRZSA-N 0 3 197.322 2.454 20 0 AEADHN CC[C@H]1COCCN1CC1CC=CC1 659934122 409565398 /nfs/dbraw/zinc/56/53/98/409565398.db2.gz NBJJATPVWDIGFD-LBPRGKRZSA-N 0 3 195.306 2.063 20 0 AEADHN CC[C@@H]1COCCN1CCC=C(C)C 659933911 409565649 /nfs/dbraw/zinc/56/56/49/409565649.db2.gz KJXCVFBQNGRNSD-GFCCVEGCSA-N 0 3 197.322 2.454 20 0 AEADHN CC[C@@H]1COCCN1CC1CC=CC1 659934121 409565844 /nfs/dbraw/zinc/56/58/44/409565844.db2.gz NBJJATPVWDIGFD-GFCCVEGCSA-N 0 3 195.306 2.063 20 0 AEADHN CC[C@H]1COCCN1CCC1CCC1 659933867 409565878 /nfs/dbraw/zinc/56/58/78/409565878.db2.gz JTFJMUVVXABNGF-LBPRGKRZSA-N 0 3 197.322 2.287 20 0 AEADHN Cc1cc(CNC(C)(C)C)sn1 306418745 409566083 /nfs/dbraw/zinc/56/60/83/409566083.db2.gz VQXVAFQTGKUAMU-UHFFFAOYSA-N 0 3 184.308 2.340 20 0 AEADHN CC[C@@H](C)SCCN(C)C 306426121 409567754 /nfs/dbraw/zinc/56/77/54/409567754.db2.gz JZGONHDWXOXMLI-MRVPVSSYSA-N 0 3 161.314 2.080 20 0 AEADHN CC[C@H](C)SCCN(C)C 306426122 409568385 /nfs/dbraw/zinc/56/83/85/409568385.db2.gz JZGONHDWXOXMLI-QMMMGPOBSA-N 0 3 161.314 2.080 20 0 AEADHN CC1=CCCN(Cc2ccco2)C1 306720555 409583718 /nfs/dbraw/zinc/58/37/18/409583718.db2.gz ZTAHHWVDADZVNX-UHFFFAOYSA-N 0 3 177.247 2.432 20 0 AEADHN C[C@H]1OCCN(CC2CC=CC2)[C@@H]1C 660009892 409575696 /nfs/dbraw/zinc/57/56/96/409575696.db2.gz CRBHELMIXOHPHF-GHMZBOCLSA-N 0 3 195.306 2.062 20 0 AEADHN C[C@H]1OCCN(CCC2CCC2)[C@@H]1C 660010068 409575830 /nfs/dbraw/zinc/57/58/30/409575830.db2.gz FJRHFQQKZRBFOK-GHMZBOCLSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@@H]1OCCN(CC2CC=CC2)[C@H]1C 660009894 409575888 /nfs/dbraw/zinc/57/58/88/409575888.db2.gz CRBHELMIXOHPHF-QWRGUYRKSA-N 0 3 195.306 2.062 20 0 AEADHN C[C@@H]1OCCN(CCC2CCC2)[C@H]1C 660010070 409576287 /nfs/dbraw/zinc/57/62/87/409576287.db2.gz FJRHFQQKZRBFOK-QWRGUYRKSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1[C@@H](C)OCCN1CCC1CCC1 660010071 409576585 /nfs/dbraw/zinc/57/65/85/409576585.db2.gz FJRHFQQKZRBFOK-WDEREUQCSA-N 0 3 197.322 2.286 20 0 AEADHN CC(C)=CCCN1CCO[C@H](C)[C@H]1C 660012832 409576652 /nfs/dbraw/zinc/57/66/52/409576652.db2.gz UXYGGEDNFKROQD-VXGBXAGGSA-N 0 3 197.322 2.452 20 0 AEADHN C[C@H]1[C@@H](C)OCCN1CC1CC=CC1 660009895 409576926 /nfs/dbraw/zinc/57/69/26/409576926.db2.gz CRBHELMIXOHPHF-WDEREUQCSA-N 0 3 195.306 2.062 20 0 AEADHN C[C@@H]1OCCN(CCC2CCC2)[C@@H]1C 660010069 409577363 /nfs/dbraw/zinc/57/73/63/409577363.db2.gz FJRHFQQKZRBFOK-MNOVXSKESA-N 0 3 197.322 2.286 20 0 AEADHN CC(C)=CCCN1CCO[C@@H](C)[C@@H]1C 660012831 409577716 /nfs/dbraw/zinc/57/77/16/409577716.db2.gz UXYGGEDNFKROQD-RYUDHWBXSA-N 0 3 197.322 2.452 20 0 AEADHN CC(C)=CCCN1CCO[C@H](C)[C@@H]1C 660012830 409577772 /nfs/dbraw/zinc/57/77/72/409577772.db2.gz UXYGGEDNFKROQD-NWDGAFQWSA-N 0 3 197.322 2.452 20 0 AEADHN C[C@@H]1OCCN(CC2CC=CC2)[C@@H]1C 660009893 409578131 /nfs/dbraw/zinc/57/81/31/409578131.db2.gz CRBHELMIXOHPHF-MNOVXSKESA-N 0 3 195.306 2.062 20 0 AEADHN CC(C)=CCCN1CCO[C@@H](C)[C@H]1C 660012828 409578229 /nfs/dbraw/zinc/57/82/29/409578229.db2.gz UXYGGEDNFKROQD-NEPJUHHUSA-N 0 3 197.322 2.452 20 0 AEADHN CN(CCC1CCC1)Cc1cn[nH]c1 660091938 409580346 /nfs/dbraw/zinc/58/03/46/409580346.db2.gz MPHXYYCUADLHKT-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CCC(C)(C)N(C)Cc1cn(C)cn1 660073695 409580415 /nfs/dbraw/zinc/58/04/15/409580415.db2.gz JKVHPTAZOYEFII-UHFFFAOYSA-N 0 3 195.310 2.041 20 0 AEADHN CC(C)=CCCN(C)Cc1cn[nH]c1 660091954 409581162 /nfs/dbraw/zinc/58/11/62/409581162.db2.gz NDOTVSMWNBKDDU-UHFFFAOYSA-N 0 3 193.294 2.198 20 0 AEADHN Cc1cnc(CNC2CC=CC2)s1 306698625 409583986 /nfs/dbraw/zinc/58/39/86/409583986.db2.gz HOTJRPGOJQRLMW-UHFFFAOYSA-N 0 3 194.303 2.260 20 0 AEADHN CC[C@H](C)N[C@@H]1C[C@H](C)n2ccnc21 306796143 409589430 /nfs/dbraw/zinc/58/94/30/409589430.db2.gz VTCCGDUILQQTTM-LPEHRKFASA-N 0 3 193.294 2.277 20 0 AEADHN CC[C@H](C)N[C@H]1C[C@@H](C)n2ccnc21 306796134 409589986 /nfs/dbraw/zinc/58/99/86/409589986.db2.gz VTCCGDUILQQTTM-AEJSXWLSSA-N 0 3 193.294 2.277 20 0 AEADHN CC[C@H](C)N[C@H]1C[C@H](C)n2ccnc21 306796137 409591289 /nfs/dbraw/zinc/59/12/89/409591289.db2.gz VTCCGDUILQQTTM-GUBZILKMSA-N 0 3 193.294 2.277 20 0 AEADHN CC[C@H](C)N[C@@H]1C[C@@H](C)n2ccnc21 306796140 409591349 /nfs/dbraw/zinc/59/13/49/409591349.db2.gz VTCCGDUILQQTTM-IVZWLZJFSA-N 0 3 193.294 2.277 20 0 AEADHN CC(C)=CCCN1CCOC[C@H]1C 660423482 409602035 /nfs/dbraw/zinc/60/20/35/409602035.db2.gz RDKOFBKWQDKSIQ-LLVKDONJSA-N 0 3 183.295 2.063 20 0 AEADHN C[C@@H]1COCCN1CCCC1CCC1 660423096 409602234 /nfs/dbraw/zinc/60/22/34/409602234.db2.gz LZZMTYZBEJLJAG-LLVKDONJSA-N 0 3 197.322 2.287 20 0 AEADHN C1CC(CCN2CCOCC23CC3)C1 660489902 409605328 /nfs/dbraw/zinc/60/53/28/409605328.db2.gz SFHNBLKAMAVJII-UHFFFAOYSA-N 0 3 195.306 2.041 20 0 AEADHN CC(C)=CCCN1CCOC[C@@H]1C 660648457 409612691 /nfs/dbraw/zinc/61/26/91/409612691.db2.gz RDKOFBKWQDKSIQ-NSHDSACASA-N 0 3 183.295 2.063 20 0 AEADHN CC(C)=CCCN(C(C)C)C1COC1 660648927 409613010 /nfs/dbraw/zinc/61/30/10/409613010.db2.gz ZTQWALFXNYHNGB-UHFFFAOYSA-N 0 3 197.322 2.452 20 0 AEADHN CC(C)N(CC1CC=CC1)C1COC1 660647614 409613337 /nfs/dbraw/zinc/61/33/37/409613337.db2.gz MXCJXXNYXGYYHR-UHFFFAOYSA-N 0 3 195.306 2.062 20 0 AEADHN C1CC(CCN(C2CC2)C2COC2)C1 660647091 409613411 /nfs/dbraw/zinc/61/34/11/409613411.db2.gz IWGJTCKWIZILLA-UHFFFAOYSA-N 0 3 195.306 2.040 20 0 AEADHN C[C@H]1COCCN1CCCC1CCC1 660648079 409614048 /nfs/dbraw/zinc/61/40/48/409614048.db2.gz LZZMTYZBEJLJAG-NSHDSACASA-N 0 3 197.322 2.287 20 0 AEADHN CC(C)N(CCC1CCC1)C1COC1 660648495 409614274 /nfs/dbraw/zinc/61/42/74/409614274.db2.gz TUTKJKYUBYMZKM-UHFFFAOYSA-N 0 3 197.322 2.286 20 0 AEADHN CC(C)=CCCN1CC[C@H](F)C1 660693293 409616518 /nfs/dbraw/zinc/61/65/18/409616518.db2.gz XAKCHOJUEUPMIF-JTQLQIEISA-N 0 3 171.259 2.387 20 0 AEADHN CC(C)=CCCN1CC[C@@H](F)C1 660693294 409616983 /nfs/dbraw/zinc/61/69/83/409616983.db2.gz XAKCHOJUEUPMIF-SNVBAGLBSA-N 0 3 171.259 2.387 20 0 AEADHN F[C@H]1CCN(CCC2CCC2)C1 660690960 409617032 /nfs/dbraw/zinc/61/70/32/409617032.db2.gz FAMWJXJVECHSFS-JTQLQIEISA-N 0 3 171.259 2.220 20 0 AEADHN CCc1nocc1CN(C)C(C)(C)C 660905496 409621887 /nfs/dbraw/zinc/62/18/87/409621887.db2.gz YNZQNNLGEWUOQO-UHFFFAOYSA-N 0 3 196.294 2.467 20 0 AEADHN CCCN(Cc1cn(C)cn1)C(C)C 660924752 409624551 /nfs/dbraw/zinc/62/45/51/409624551.db2.gz YIXXKOLRTQNBPJ-UHFFFAOYSA-N 0 3 195.310 2.041 20 0 AEADHN CC[C@H](C)N(CC)Cc1cn[nH]c1 661103472 409628019 /nfs/dbraw/zinc/62/80/19/409628019.db2.gz FYOPQPHDLIODMR-VIFPVBQESA-N 0 3 181.283 2.030 20 0 AEADHN CCC(CC)CN(C)Cc1c[nH]cn1 661092432 409628299 /nfs/dbraw/zinc/62/82/99/409628299.db2.gz IDOHOACKTICWSS-UHFFFAOYSA-N 0 3 195.310 2.278 20 0 AEADHN CCC(CC)CN(C)Cc1cnc[nH]1 661092432 409628305 /nfs/dbraw/zinc/62/83/05/409628305.db2.gz IDOHOACKTICWSS-UHFFFAOYSA-N 0 3 195.310 2.278 20 0 AEADHN CC[C@@H](C)N(CC)Cc1cn[nH]c1 661103471 409628362 /nfs/dbraw/zinc/62/83/62/409628362.db2.gz FYOPQPHDLIODMR-SECBINFHSA-N 0 3 181.283 2.030 20 0 AEADHN CC/C=C\CCN(C)Cc1cnc[nH]1 661088229 409628582 /nfs/dbraw/zinc/62/85/82/409628582.db2.gz HRWLBEOGYTYRAU-PLNGDYQASA-N 0 3 193.294 2.198 20 0 AEADHN CC[C@@H](C)N(CC)Cc1ccno1 661103427 409628901 /nfs/dbraw/zinc/62/89/01/409628901.db2.gz BBRMLYHTPDCUEW-SECBINFHSA-N 0 3 182.267 2.295 20 0 AEADHN CC[C@@H](C)N(CC)Cc1c[nH]cn1 661104483 409629301 /nfs/dbraw/zinc/62/93/01/409629301.db2.gz OMUWDOGNPGVXBW-SECBINFHSA-N 0 3 181.283 2.030 20 0 AEADHN CC[C@@H](C)N(CC)Cc1cnc[nH]1 661104483 409629308 /nfs/dbraw/zinc/62/93/08/409629308.db2.gz OMUWDOGNPGVXBW-SECBINFHSA-N 0 3 181.283 2.030 20 0 AEADHN CC[C@H](C)N(CC)Cc1cc[nH]n1 661105507 409629585 /nfs/dbraw/zinc/62/95/85/409629585.db2.gz XRGZUUDXJAFNTM-VIFPVBQESA-N 0 3 181.283 2.030 20 0 AEADHN CC[C@@H](C)N(CC)Cc1cc[nH]n1 661105506 409629709 /nfs/dbraw/zinc/62/97/09/409629709.db2.gz XRGZUUDXJAFNTM-SECBINFHSA-N 0 3 181.283 2.030 20 0 AEADHN CC/C=C/CCN(C)Cc1cnc[nH]1 661088230 409630021 /nfs/dbraw/zinc/63/00/21/409630021.db2.gz HRWLBEOGYTYRAU-SNAWJCMRSA-N 0 3 193.294 2.198 20 0 AEADHN CC[C@H](C)N(CC)Cc1cn(C)cn1 661103097 409630043 /nfs/dbraw/zinc/63/00/43/409630043.db2.gz DMYFAMZIJVUJPA-JTQLQIEISA-N 0 3 195.310 2.041 20 0 AEADHN CN(CCC1CCC1)Cc1cnc[nH]1 661092433 409630133 /nfs/dbraw/zinc/63/01/33/409630133.db2.gz IJNBHMIXBGWLJH-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CC[C@@H](C)N(CC)Cc1cn(C)cn1 661103098 409630367 /nfs/dbraw/zinc/63/03/67/409630367.db2.gz DMYFAMZIJVUJPA-SNVBAGLBSA-N 0 3 195.310 2.041 20 0 AEADHN CC[C@H](C)N(CC)Cc1ccnn1C 661103080 409630388 /nfs/dbraw/zinc/63/03/88/409630388.db2.gz DEIZITDYZURFOM-JTQLQIEISA-N 0 3 195.310 2.041 20 0 AEADHN Cc1cnc(CNC2(C)CCC2)s1 307260710 409630656 /nfs/dbraw/zinc/63/06/56/409630656.db2.gz TVWNCWIHTKEYCR-UHFFFAOYSA-N 0 3 196.319 2.484 20 0 AEADHN CC[C@H](C)N(CC)Cc1ccno1 661103428 409630931 /nfs/dbraw/zinc/63/09/31/409630931.db2.gz BBRMLYHTPDCUEW-VIFPVBQESA-N 0 3 182.267 2.295 20 0 AEADHN CC(C)=CCCN(C)Cc1cnc[nH]1 661094765 409631032 /nfs/dbraw/zinc/63/10/32/409631032.db2.gz ZRMHKJGVYNHINC-UHFFFAOYSA-N 0 3 193.294 2.198 20 0 AEADHN CC[C@H](C)N(CC)Cc1c[nH]cn1 661104484 409631195 /nfs/dbraw/zinc/63/11/95/409631195.db2.gz OMUWDOGNPGVXBW-VIFPVBQESA-N 0 3 181.283 2.030 20 0 AEADHN CC[C@H](C)N(CC)Cc1cnc[nH]1 661104484 409631199 /nfs/dbraw/zinc/63/11/99/409631199.db2.gz OMUWDOGNPGVXBW-VIFPVBQESA-N 0 3 181.283 2.030 20 0 AEADHN CC[C@@H](C)N(CC)Cc1ccnn1C 661103081 409631213 /nfs/dbraw/zinc/63/12/13/409631213.db2.gz DEIZITDYZURFOM-SNVBAGLBSA-N 0 3 195.310 2.041 20 0 AEADHN CCCCCN(C)Cc1cnc[nH]1 661085672 409631299 /nfs/dbraw/zinc/63/12/99/409631299.db2.gz PMIZTFQTOAZWIS-UHFFFAOYSA-N 0 3 181.283 2.032 20 0 AEADHN CN(Cc1cnc[nH]1)CC1(C)CCC1 661090084 409631570 /nfs/dbraw/zinc/63/15/70/409631570.db2.gz LQBRILLKPYREIH-UHFFFAOYSA-N 0 3 193.294 2.032 20 0 AEADHN CC[C@@H](C)N(CC)Cc1cncn1C 661110211 409634333 /nfs/dbraw/zinc/63/43/33/409634333.db2.gz XSLNOQZELATJDR-SNVBAGLBSA-N 0 3 195.310 2.041 20 0 AEADHN CC[C@H](C)N(CC)Cc1cncn1C 661110210 409635101 /nfs/dbraw/zinc/63/51/01/409635101.db2.gz XSLNOQZELATJDR-JTQLQIEISA-N 0 3 195.310 2.041 20 0 AEADHN CC(C)=CCN(C)CC1=CCCOC1 661652498 409649631 /nfs/dbraw/zinc/64/96/31/409649631.db2.gz MJIXPWAEUFJXGD-UHFFFAOYSA-N 0 3 195.306 2.231 20 0 AEADHN CC(=O)CN1CC(C)(C)[C@H]2CCC[C@@H]21 307503220 409651187 /nfs/dbraw/zinc/65/11/87/409651187.db2.gz JNQJKPRUCPKISE-QWRGUYRKSA-N 0 3 195.306 2.086 20 0 AEADHN CC(=O)CN1CC(C)(C)[C@@H]2CCC[C@@H]21 307503216 409651459 /nfs/dbraw/zinc/65/14/59/409651459.db2.gz JNQJKPRUCPKISE-MNOVXSKESA-N 0 3 195.306 2.086 20 0 AEADHN CC(=O)CN1CC(C)(C)[C@H]2CCC[C@H]21 307503222 409652265 /nfs/dbraw/zinc/65/22/65/409652265.db2.gz JNQJKPRUCPKISE-WDEREUQCSA-N 0 3 195.306 2.086 20 0 AEADHN CC(=O)CN1CC(C)(C)[C@@H]2CCC[C@H]21 307503213 409652414 /nfs/dbraw/zinc/65/24/14/409652414.db2.gz JNQJKPRUCPKISE-GHMZBOCLSA-N 0 3 195.306 2.086 20 0 AEADHN CC(C)CC1(NCc2ccno2)CC1 662072825 409684700 /nfs/dbraw/zinc/68/47/00/409684700.db2.gz UXBBRKKPOJOCPT-UHFFFAOYSA-N 0 3 194.278 2.343 20 0 AEADHN CC(C)C1CC(N[C@@H](C)CF)C1 308113443 409685077 /nfs/dbraw/zinc/68/50/77/409685077.db2.gz LGORXWIYYCLJHJ-IDKOKCKLSA-N 0 3 173.275 2.369 20 0 AEADHN CCN1CC[C@@H](Oc2ccccc2)C1 662063860 409685445 /nfs/dbraw/zinc/68/54/45/409685445.db2.gz DQLIWUJCKDYRDT-GFCCVEGCSA-N 0 3 191.274 2.160 20 0 AEADHN CC(C)CC1(NCc2c[nH]cn2)CC1 662071364 409686242 /nfs/dbraw/zinc/68/62/42/409686242.db2.gz JVLNOQRAQHDMPI-UHFFFAOYSA-N 0 3 193.294 2.078 20 0 AEADHN CC(C)CC1(NCc2cnc[nH]2)CC1 662071364 409686248 /nfs/dbraw/zinc/68/62/48/409686248.db2.gz JVLNOQRAQHDMPI-UHFFFAOYSA-N 0 3 193.294 2.078 20 0 AEADHN CC(C)CC1(NCCF)CC1 662072858 409686322 /nfs/dbraw/zinc/68/63/22/409686322.db2.gz VKHWIAXOAGZEER-UHFFFAOYSA-N 0 3 159.248 2.124 20 0 AEADHN CCOCCNCc1ccsc1C 308136299 409687519 /nfs/dbraw/zinc/68/75/19/409687519.db2.gz OMZUPURLRPGAAM-UHFFFAOYSA-N 0 3 199.319 2.183 20 0 AEADHN CO[C@@H](C)CNCc1ccsc1C 308192503 409695604 /nfs/dbraw/zinc/69/56/04/409695604.db2.gz KJPXEQZQXAPQLT-QMMMGPOBSA-N 0 3 199.319 2.181 20 0 AEADHN CO[C@H](C)CNCc1ccsc1C 308192502 409697427 /nfs/dbraw/zinc/69/74/27/409697427.db2.gz KJPXEQZQXAPQLT-MRVPVSSYSA-N 0 3 199.319 2.181 20 0 AEADHN COC[C@@H](C)NCc1ccsc1C 308212316 409699421 /nfs/dbraw/zinc/69/94/21/409699421.db2.gz XDWVIJZYUHZYRU-MRVPVSSYSA-N 0 3 199.319 2.181 20 0 AEADHN CC(C)CCCN1CCOC[C@@H]1C 308225688 409700215 /nfs/dbraw/zinc/70/02/15/409700215.db2.gz DSFQFPHLDRFUFX-NSHDSACASA-N 0 3 185.311 2.143 20 0 AEADHN Cc1cccc(CN[C@@H](C)CF)c1 308261535 409703301 /nfs/dbraw/zinc/70/33/01/409703301.db2.gz NQCIVQYKXNMOQG-JTQLQIEISA-N 0 3 181.254 2.443 20 0 AEADHN CCc1nc(C)c(CNC(C)C)o1 308267057 409703433 /nfs/dbraw/zinc/70/34/33/409703433.db2.gz QDGDGQNMYMQLGY-UHFFFAOYSA-N 0 3 182.267 2.043 20 0 AEADHN CCC(CC)NCc1snnc1C 308258519 409703970 /nfs/dbraw/zinc/70/39/70/409703970.db2.gz LFDMUBGBXYKTLB-UHFFFAOYSA-N 0 3 199.323 2.125 20 0 AEADHN CCC[C@H](C)NCc1snnc1C 308257408 409704292 /nfs/dbraw/zinc/70/42/92/409704292.db2.gz KMJQUJMNWVUKIZ-ZETCQYMHSA-N 0 3 199.323 2.125 20 0 AEADHN CCC[C@@H](C)NCc1snnc1C 308257407 409704729 /nfs/dbraw/zinc/70/47/29/409704729.db2.gz KMJQUJMNWVUKIZ-SSDOTTSWSA-N 0 3 199.323 2.125 20 0 AEADHN CCC(C)(C)NCc1snnc1C 308281225 409707261 /nfs/dbraw/zinc/70/72/61/409707261.db2.gz XVWGNMSIAGCHER-UHFFFAOYSA-N 0 3 199.323 2.125 20 0 AEADHN Cc1ccccc1CN[C@@H](C)CF 308402079 409718387 /nfs/dbraw/zinc/71/83/87/409718387.db2.gz JBGFRBSINUWQIS-JTQLQIEISA-N 0 3 181.254 2.443 20 0 AEADHN Cc1ccc(CN[C@@H](C)CF)cc1 308416934 409718827 /nfs/dbraw/zinc/71/88/27/409718827.db2.gz RBOJXVHPVAQNBF-JTQLQIEISA-N 0 3 181.254 2.443 20 0 AEADHN CN(Cc1ccno1)C[C@H]1CC1(C)C 662346760 409722456 /nfs/dbraw/zinc/72/24/56/409722456.db2.gz ZRKNGMYHFLDEHR-SECBINFHSA-N 0 3 194.278 2.153 20 0 AEADHN CN(Cc1ccno1)C[C@@H]1CC1(C)C 662346762 409725070 /nfs/dbraw/zinc/72/50/70/409725070.db2.gz ZRKNGMYHFLDEHR-VIFPVBQESA-N 0 3 194.278 2.153 20 0 AEADHN CCN(CC)Cc1cncn1C(C)C 308481561 409727082 /nfs/dbraw/zinc/72/70/82/409727082.db2.gz MRZBRGRSUQSNSU-UHFFFAOYSA-N 0 3 195.310 2.306 20 0 AEADHN CCCc1nc(C)c(CNC(C)C)o1 308507164 409729675 /nfs/dbraw/zinc/72/96/75/409729675.db2.gz JDZOMMUTLJRGGJ-UHFFFAOYSA-N 0 3 196.294 2.434 20 0 AEADHN CCN(CCc1cncs1)C1CC1 662431724 409734091 /nfs/dbraw/zinc/73/40/91/409734091.db2.gz CILKHUFEZABCMS-UHFFFAOYSA-N 0 3 196.319 2.170 20 0 AEADHN CCc1nc(C)c(CNCC(C)C)o1 308573085 409735670 /nfs/dbraw/zinc/73/56/70/409735670.db2.gz CQUIETAGIBPRLD-UHFFFAOYSA-N 0 3 196.294 2.291 20 0 AEADHN Cc1cc([C@@H](C)N[C@H](C)C2CC2)no1 308631959 409743494 /nfs/dbraw/zinc/74/34/94/409743494.db2.gz ZIGDTUXRNZHURX-RKDXNWHRSA-N 0 3 194.278 2.432 20 0 AEADHN Cc1cc([C@@H](C)N[C@@H](C)C2CC2)no1 308631958 409744334 /nfs/dbraw/zinc/74/43/34/409744334.db2.gz ZIGDTUXRNZHURX-DTWKUNHWSA-N 0 3 194.278 2.432 20 0 AEADHN CO[C@H](C)[C@@H](C)NCc1occc1C 308621518 409744480 /nfs/dbraw/zinc/74/44/80/409744480.db2.gz UCXQONGJNJVAIJ-NXEZZACHSA-N 0 3 197.278 2.101 20 0 AEADHN CO[C@@H](C)[C@@H](C)NCc1occc1C 308621519 409744682 /nfs/dbraw/zinc/74/46/82/409744682.db2.gz UCXQONGJNJVAIJ-ZJUUUORDSA-N 0 3 197.278 2.101 20 0 AEADHN Cc1ccc(CNCC2CC2)nc1C 314682984 409782987 /nfs/dbraw/zinc/78/29/87/409782987.db2.gz ARFDFZHYWUXPIU-UHFFFAOYSA-N 0 3 190.290 2.198 20 0 AEADHN CCc1nocc1CNCC1(C)CC1 378782662 409802205 /nfs/dbraw/zinc/80/22/05/409802205.db2.gz KDPNHHRFOIICDU-UHFFFAOYSA-N 0 3 194.278 2.127 20 0 AEADHN CCc1noc(C)c1CN[C@H](C)CC 378858257 409804712 /nfs/dbraw/zinc/80/47/12/409804712.db2.gz MJFUOKNNHJIZEQ-MRVPVSSYSA-N 0 3 196.294 2.434 20 0 AEADHN Cc1cc(CNC2(C(C)C)CC2)on1 378849300 409805017 /nfs/dbraw/zinc/80/50/17/409805017.db2.gz CROPCAKIQAWTIM-UHFFFAOYSA-N 0 3 194.278 2.261 20 0 AEADHN CCc1noc(C)c1CN[C@@H](C)CC 378858258 409806059 /nfs/dbraw/zinc/80/60/59/409806059.db2.gz MJFUOKNNHJIZEQ-QMMMGPOBSA-N 0 3 196.294 2.434 20 0 AEADHN CC(C)CCCN1CCO[C@H](C)C1 378862683 409809638 /nfs/dbraw/zinc/80/96/38/409809638.db2.gz UDLPAMAEKXLODO-LLVKDONJSA-N 0 3 185.311 2.143 20 0 AEADHN Cc1nocc1CNCC(C)(C)C 378863161 409809658 /nfs/dbraw/zinc/80/96/58/409809658.db2.gz UXQRMUGKTXGDBX-UHFFFAOYSA-N 0 3 182.267 2.119 20 0 AEADHN CCCCNCc1conc1CC 378864608 409809733 /nfs/dbraw/zinc/80/97/33/409809733.db2.gz XTCWDSFVUBEUGW-UHFFFAOYSA-N 0 3 182.267 2.127 20 0 AEADHN CC(C)C1(NCc2ccccn2)CC1 378868659 409813176 /nfs/dbraw/zinc/81/31/76/409813176.db2.gz IDHVCCMBADQIMF-UHFFFAOYSA-N 0 3 190.290 2.360 20 0 AEADHN Cc1nocc1CNC1(C(C)C)CC1 378874783 409815980 /nfs/dbraw/zinc/81/59/80/409815980.db2.gz XKZALNJHEWUBHB-UHFFFAOYSA-N 0 3 194.278 2.261 20 0 AEADHN CCCCN[C@H]1C[C@@H](C)n2ccnc21 379110665 409818558 /nfs/dbraw/zinc/81/85/58/409818558.db2.gz RXBNWDRTMFDPFE-ZJUUUORDSA-N 0 3 193.294 2.279 20 0 AEADHN CCCCN[C@@H]1C[C@@H](C)n2ccnc21 379110662 409819082 /nfs/dbraw/zinc/81/90/82/409819082.db2.gz RXBNWDRTMFDPFE-NXEZZACHSA-N 0 3 193.294 2.279 20 0 AEADHN CCCCN[C@@H]1C[C@H](C)n2ccnc21 379110664 409819509 /nfs/dbraw/zinc/81/95/09/409819509.db2.gz RXBNWDRTMFDPFE-VHSXEESVSA-N 0 3 193.294 2.279 20 0 AEADHN CC(F)(F)CCNCc1cc[nH]c1 379225335 409819739 /nfs/dbraw/zinc/81/97/39/409819739.db2.gz LWCOCOOLOHWGNH-UHFFFAOYSA-N 0 3 188.221 2.150 20 0 AEADHN CCCCN[C@H]1C[C@H](C)n2ccnc21 379110663 409820573 /nfs/dbraw/zinc/82/05/73/409820573.db2.gz RXBNWDRTMFDPFE-UWVGGRQHSA-N 0 3 193.294 2.279 20 0 AEADHN COC[C@@H](C)NCc1cc(C)cs1 379269389 409823237 /nfs/dbraw/zinc/82/32/37/409823237.db2.gz LJECFHWINJATCT-SECBINFHSA-N 0 3 199.319 2.181 20 0 AEADHN COC[C@H](C)NCc1cc(C)cs1 379269390 409824104 /nfs/dbraw/zinc/82/41/04/409824104.db2.gz LJECFHWINJATCT-VIFPVBQESA-N 0 3 199.319 2.181 20 0 AEADHN CCC[C@@H](C)N(C)Cc1ccno1 379356916 409831601 /nfs/dbraw/zinc/83/16/01/409831601.db2.gz PTWBPURRAAVULC-SECBINFHSA-N 0 3 182.267 2.295 20 0 AEADHN CCC[C@H](C)N(C)Cc1ccno1 379356917 409833437 /nfs/dbraw/zinc/83/34/37/409833437.db2.gz PTWBPURRAAVULC-VIFPVBQESA-N 0 3 182.267 2.295 20 0 AEADHN CC(C)[C@H](C)N(C)Cc1ccno1 379400186 409842646 /nfs/dbraw/zinc/84/26/46/409842646.db2.gz IFPDZBDZSRVKNU-VIFPVBQESA-N 0 3 182.267 2.151 20 0 AEADHN Cc1ccc(SCCN(C)C)nc1 379406067 409843748 /nfs/dbraw/zinc/84/37/48/409843748.db2.gz VLLIRQOPQBRWIF-UHFFFAOYSA-N 0 3 196.319 2.044 20 0 AEADHN CC(C)[C@@H](C)N(C)Cc1ccno1 379400185 409843972 /nfs/dbraw/zinc/84/39/72/409843972.db2.gz IFPDZBDZSRVKNU-SECBINFHSA-N 0 3 182.267 2.151 20 0 AEADHN CO[C@H](C)[C@H](C)NCc1occc1C 379588491 409856619 /nfs/dbraw/zinc/85/66/19/409856619.db2.gz UCXQONGJNJVAIJ-VHSXEESVSA-N 0 3 197.278 2.101 20 0 AEADHN CO[C@@H](C)[C@H](C)NCc1occc1C 379588490 409857819 /nfs/dbraw/zinc/85/78/19/409857819.db2.gz UCXQONGJNJVAIJ-UWVGGRQHSA-N 0 3 197.278 2.101 20 0 AEADHN CCC1(NCc2cncs2)CC1 379733572 409865756 /nfs/dbraw/zinc/86/57/56/409865756.db2.gz ALUDUROEZDXKRH-UHFFFAOYSA-N 0 3 182.292 2.175 20 0 AEADHN CCC1(NCc2cnccc2C)CC1 379741994 409866229 /nfs/dbraw/zinc/86/62/29/409866229.db2.gz PUIVGDBIICRVBU-UHFFFAOYSA-N 0 3 190.290 2.422 20 0 AEADHN C=Cn1cc(CNC2(CC)CC2)cn1 379719618 409866271 /nfs/dbraw/zinc/86/62/71/409866271.db2.gz XHABUJQZAASZPT-UHFFFAOYSA-N 0 3 191.278 2.016 20 0 AEADHN CCC1(NCc2ccc(C)cn2)CC1 379735130 409866382 /nfs/dbraw/zinc/86/63/82/409866382.db2.gz FCGOWLJAINGKMO-UHFFFAOYSA-N 0 3 190.290 2.422 20 0 AEADHN CCC1(NCc2ccco2)CC1 379743591 409866967 /nfs/dbraw/zinc/86/69/67/409866967.db2.gz WVCAHXIZSYCRCK-UHFFFAOYSA-N 0 3 165.236 2.312 20 0 AEADHN CCC1(NCc2ccccn2)CC1 379740932 409867674 /nfs/dbraw/zinc/86/76/74/409867674.db2.gz LWKVZLXQIQVMGT-UHFFFAOYSA-N 0 3 176.263 2.114 20 0 AEADHN CCC1(NCc2cccnc2)CC1 379740059 409867734 /nfs/dbraw/zinc/86/77/34/409867734.db2.gz IOGAKQVBFDCBHH-UHFFFAOYSA-N 0 3 176.263 2.114 20 0 AEADHN CCC1(NCc2scnc2C)CC1 379741752 409867954 /nfs/dbraw/zinc/86/79/54/409867954.db2.gz OQZIZQHYNCWKSM-UHFFFAOYSA-N 0 3 196.319 2.484 20 0 AEADHN Cc1cc([C@@H](C)NCCCO)cs1 381665627 409883822 /nfs/dbraw/zinc/88/38/22/409883822.db2.gz BCVKDGSPXJNABY-SECBINFHSA-N 0 3 199.319 2.090 20 0 AEADHN Cc1cc([C@@H](C)NC[C@H](C)O)cs1 381753157 409884336 /nfs/dbraw/zinc/88/43/36/409884336.db2.gz NSIXKEUTXGYOAX-IONNQARKSA-N 0 3 199.319 2.088 20 0 AEADHN Cc1cc([C@H](C)NCCCO)cs1 381665629 409884770 /nfs/dbraw/zinc/88/47/70/409884770.db2.gz BCVKDGSPXJNABY-VIFPVBQESA-N 0 3 199.319 2.090 20 0 AEADHN CCOCC(C)(C)NCc1ccco1 381969116 409885202 /nfs/dbraw/zinc/88/52/02/409885202.db2.gz BHWXEQUCBCBPAA-UHFFFAOYSA-N 0 3 197.278 2.184 20 0 AEADHN Cc1cc([C@H](C)NC[C@@H](C)O)cs1 381753155 409885802 /nfs/dbraw/zinc/88/58/02/409885802.db2.gz NSIXKEUTXGYOAX-APPZFPTMSA-N 0 3 199.319 2.088 20 0 AEADHN Cc1cc([C@@H](C)NC[C@@H](C)O)cs1 381753160 409885856 /nfs/dbraw/zinc/88/58/56/409885856.db2.gz NSIXKEUTXGYOAX-VXNVDRBHSA-N 0 3 199.319 2.088 20 0 AEADHN Cc1cc([C@H](C)NC[C@H](C)O)cs1 381753156 409886076 /nfs/dbraw/zinc/88/60/76/409886076.db2.gz NSIXKEUTXGYOAX-CBAPKCEASA-N 0 3 199.319 2.088 20 0 AEADHN Cc1nocc1CN[C@H](C)CC1CC1 382071802 409887555 /nfs/dbraw/zinc/88/75/55/409887555.db2.gz GEDXLQUIAJPISD-MRVPVSSYSA-N 0 3 194.278 2.261 20 0 AEADHN Cc1nocc1CN[C@@H](C)CC1CC1 382071804 409887715 /nfs/dbraw/zinc/88/77/15/409887715.db2.gz GEDXLQUIAJPISD-QMMMGPOBSA-N 0 3 194.278 2.261 20 0 AEADHN CC(C)C1(NCc2nccs2)CC1 382049285 409888870 /nfs/dbraw/zinc/88/88/70/409888870.db2.gz DFQPDYYUSUFRRB-UHFFFAOYSA-N 0 3 196.319 2.421 20 0 AEADHN CC[C@@H](NC[C@H](C)O)c1ccsc1 382136771 409889727 /nfs/dbraw/zinc/88/97/27/409889727.db2.gz PUNCQUVPBYTXGR-WCBMZHEXSA-N 0 3 199.319 2.170 20 0 AEADHN CC[C@@H](NC[C@@H](C)O)c1ccsc1 382136768 409889744 /nfs/dbraw/zinc/88/97/44/409889744.db2.gz PUNCQUVPBYTXGR-PSASIEDQSA-N 0 3 199.319 2.170 20 0 AEADHN CC[C@H](NC[C@@H](C)O)c1ccsc1 382136770 409890171 /nfs/dbraw/zinc/89/01/71/409890171.db2.gz PUNCQUVPBYTXGR-SCZZXKLOSA-N 0 3 199.319 2.170 20 0 AEADHN CC[C@@H](NCCOC)c1ccsc1 382112683 409891373 /nfs/dbraw/zinc/89/13/73/409891373.db2.gz LDTBBULAAFQWTQ-SNVBAGLBSA-N 0 3 199.319 2.435 20 0 AEADHN CC[C@H](NC[C@H](C)O)c1ccsc1 382136773 409891493 /nfs/dbraw/zinc/89/14/93/409891493.db2.gz PUNCQUVPBYTXGR-WPRPVWTQSA-N 0 3 199.319 2.170 20 0 AEADHN CC[C@H](NCCOC)c1ccsc1 382112681 409891614 /nfs/dbraw/zinc/89/16/14/409891614.db2.gz LDTBBULAAFQWTQ-JTQLQIEISA-N 0 3 199.319 2.435 20 0 AEADHN CN(Cc1ccc(CO)o1)C(C)(C)C 382165410 409893294 /nfs/dbraw/zinc/89/32/94/409893294.db2.gz UJYMMEHCDQHOPU-UHFFFAOYSA-N 0 3 197.278 2.002 20 0 AEADHN CCc1noc(C)c1CNC(C)C 382158398 409893661 /nfs/dbraw/zinc/89/36/61/409893661.db2.gz RXBDTEDYZMCIOZ-UHFFFAOYSA-N 0 3 182.267 2.043 20 0 AEADHN CC[C@H](N[C@@H](C)CO)c1ccsc1 382142580 409893783 /nfs/dbraw/zinc/89/37/83/409893783.db2.gz QWUWGEJZQMFDBE-WPRPVWTQSA-N 0 3 199.319 2.170 20 0 AEADHN CC[C@H](N[C@H](C)CO)c1ccsc1 382142575 409893905 /nfs/dbraw/zinc/89/39/05/409893905.db2.gz QWUWGEJZQMFDBE-SCZZXKLOSA-N 0 3 199.319 2.170 20 0 AEADHN CC[C@@H](N[C@@H](C)CO)c1ccsc1 382142578 409895092 /nfs/dbraw/zinc/89/50/92/409895092.db2.gz QWUWGEJZQMFDBE-WCBMZHEXSA-N 0 3 199.319 2.170 20 0 AEADHN CC[C@@H](N[C@H](C)CO)c1ccsc1 382142573 409895286 /nfs/dbraw/zinc/89/52/86/409895286.db2.gz QWUWGEJZQMFDBE-PSASIEDQSA-N 0 3 199.319 2.170 20 0 AEADHN CCc1nocc1CN[C@@H](C)C1CC1 382189845 409896135 /nfs/dbraw/zinc/89/61/35/409896135.db2.gz HLFVYEIJXYMUIU-QMMMGPOBSA-N 0 3 194.278 2.125 20 0 AEADHN CCc1nocc1CN[C@@H]1CC1(C)C 382211710 409896782 /nfs/dbraw/zinc/89/67/82/409896782.db2.gz LELWCRYBJKAHIZ-SNVBAGLBSA-N 0 3 194.278 2.125 20 0 AEADHN CCc1nocc1CN[C@H](C)C1CC1 382189841 409896889 /nfs/dbraw/zinc/89/68/89/409896889.db2.gz HLFVYEIJXYMUIU-MRVPVSSYSA-N 0 3 194.278 2.125 20 0 AEADHN CCc1nocc1CNC1CC(C)C1 382200850 409897258 /nfs/dbraw/zinc/89/72/58/409897258.db2.gz JHEUPXUUEYINQG-UHFFFAOYSA-N 0 3 194.278 2.125 20 0 AEADHN CCC[C@@H](C)N[C@@H]1CCn2ccnc21 382226055 409897730 /nfs/dbraw/zinc/89/77/30/409897730.db2.gz JSMKIMIBVGGGTR-NXEZZACHSA-N 0 3 193.294 2.106 20 0 AEADHN CCC[C@H](C)N[C@H]1CCn2ccnc21 382226057 409898156 /nfs/dbraw/zinc/89/81/56/409898156.db2.gz JSMKIMIBVGGGTR-UWVGGRQHSA-N 0 3 193.294 2.106 20 0 AEADHN CCc1nocc1CN[C@H]1CC1(C)C 382211708 409898399 /nfs/dbraw/zinc/89/83/99/409898399.db2.gz LELWCRYBJKAHIZ-JTQLQIEISA-N 0 3 194.278 2.125 20 0 AEADHN CCC[C@@H](C)N[C@H]1CCn2ccnc21 382226060 409898540 /nfs/dbraw/zinc/89/85/40/409898540.db2.gz JSMKIMIBVGGGTR-ZJUUUORDSA-N 0 3 193.294 2.106 20 0 AEADHN CCC[C@H](C)N[C@@H]1CCn2ccnc21 382226058 409898556 /nfs/dbraw/zinc/89/85/56/409898556.db2.gz JSMKIMIBVGGGTR-VHSXEESVSA-N 0 3 193.294 2.106 20 0 AEADHN CCc1noc(C)c1CNCC1CC1 382342454 409904481 /nfs/dbraw/zinc/90/44/81/409904481.db2.gz CPNUUNJGKVNRLS-UHFFFAOYSA-N 0 3 194.278 2.045 20 0 AEADHN C=Cn1cc(CNC/C=C\CC)cn1 384897522 409920526 /nfs/dbraw/zinc/92/05/26/409920526.db2.gz MSUPNNSAOMHXQI-WAYWQWQTSA-N 0 3 191.278 2.039 20 0 AEADHN CCC1(NCc2cc[nH]n2)CCCC1 382566065 409905721 /nfs/dbraw/zinc/90/57/21/409905721.db2.gz NZFAQLAJFBQVPB-UHFFFAOYSA-N 0 3 193.294 2.222 20 0 AEADHN CC/C=C/CNCc1cccnc1C 384778588 409913591 /nfs/dbraw/zinc/91/35/91/409913591.db2.gz TUACXMUYKDSNHC-SNAWJCMRSA-N 0 3 190.290 2.446 20 0 AEADHN CC/C=C\CNCc1cccnc1C 384778586 409913877 /nfs/dbraw/zinc/91/38/77/409913877.db2.gz TUACXMUYKDSNHC-PLNGDYQASA-N 0 3 190.290 2.446 20 0 AEADHN CC/C=C\CNCc1cnccc1C 384898026 409918262 /nfs/dbraw/zinc/91/82/62/409918262.db2.gz MXVGFMFPONRAOJ-PLNGDYQASA-N 0 3 190.290 2.446 20 0 AEADHN C=Cn1cc(CNC/C=C/CC)cn1 384897521 409918723 /nfs/dbraw/zinc/91/87/23/409918723.db2.gz MSUPNNSAOMHXQI-AATRIKPKSA-N 0 3 191.278 2.039 20 0 AEADHN CC/C=C/CNCc1cnccc1C 384898027 409919571 /nfs/dbraw/zinc/91/95/71/409919571.db2.gz MXVGFMFPONRAOJ-SNAWJCMRSA-N 0 3 190.290 2.446 20 0 AEADHN CC/C=C\CNCc1ccc(C)cn1 384922840 409919671 /nfs/dbraw/zinc/91/96/71/409919671.db2.gz RJWHEKMYFODLMA-PLNGDYQASA-N 0 3 190.290 2.446 20 0 AEADHN CC/C=C/CNCc1ccc(O)cc1 384909274 409919852 /nfs/dbraw/zinc/91/98/52/409919852.db2.gz PPNQFODGIBJCBH-ONEGZZNKSA-N 0 3 191.274 2.448 20 0 AEADHN CC/C=C/CNCc1c(C)n[nH]c1C 384915348 409919943 /nfs/dbraw/zinc/91/99/43/409919943.db2.gz QJKJYFSBNDBAOU-AATRIKPKSA-N 0 3 193.294 2.082 20 0 AEADHN CC/C=C\CNCc1ccc(O)cc1 384909272 409920035 /nfs/dbraw/zinc/92/00/35/409920035.db2.gz PPNQFODGIBJCBH-ARJAWSKDSA-N 0 3 191.274 2.448 20 0 AEADHN CC/C=C/CNCc1ccc(C)cn1 384922844 409920128 /nfs/dbraw/zinc/92/01/28/409920128.db2.gz RJWHEKMYFODLMA-SNAWJCMRSA-N 0 3 190.290 2.446 20 0 AEADHN CC/C=C\CNCc1c(C)n[nH]c1C 384915377 409920457 /nfs/dbraw/zinc/92/04/57/409920457.db2.gz QJKJYFSBNDBAOU-WAYWQWQTSA-N 0 3 193.294 2.082 20 0 AEADHN C[C@@H](CC(C)(C)C)NCc1cc[nH]n1 384987780 409922083 /nfs/dbraw/zinc/92/20/83/409922083.db2.gz UXBINOSVWDYUGH-VIFPVBQESA-N 0 3 195.310 2.324 20 0 AEADHN CC/C=C/CNCc1cc[nH]c1 384981796 409922476 /nfs/dbraw/zinc/92/24/76/409922476.db2.gz JOKXCRNPLNIMEC-ONEGZZNKSA-N 0 3 164.252 2.071 20 0 AEADHN CC/C=C/CNCc1cccc(O)c1 384969941 409922766 /nfs/dbraw/zinc/92/27/66/409922766.db2.gz XXRMCYQZUZFXHC-ONEGZZNKSA-N 0 3 191.274 2.448 20 0 AEADHN C[C@H](CC(C)(C)C)NCc1cc[nH]n1 384987762 409922858 /nfs/dbraw/zinc/92/28/58/409922858.db2.gz UXBINOSVWDYUGH-SECBINFHSA-N 0 3 195.310 2.324 20 0 AEADHN CC/C=C\CNCc1cc[nH]c1 384981792 409923025 /nfs/dbraw/zinc/92/30/25/409923025.db2.gz JOKXCRNPLNIMEC-ARJAWSKDSA-N 0 3 164.252 2.071 20 0 AEADHN CC/C=C\CNCc1cccc(O)c1 384969935 409923252 /nfs/dbraw/zinc/92/32/52/409923252.db2.gz XXRMCYQZUZFXHC-ARJAWSKDSA-N 0 3 191.274 2.448 20 0 AEADHN CC[C@@H]1C[C@H]1CNCc1nccs1 387906729 409946263 /nfs/dbraw/zinc/94/62/63/409946263.db2.gz FGSYNTCHJCOVJS-BDAKNGLRSA-N 0 3 196.319 2.279 20 0 AEADHN CC/C=C/CNCc1ccncc1 385270621 409926769 /nfs/dbraw/zinc/92/67/69/409926769.db2.gz ZYNWLTRCXOXZLV-ONEGZZNKSA-N 0 3 176.263 2.137 20 0 AEADHN CC/C=C/CNCc1cccn1C 385240398 409926865 /nfs/dbraw/zinc/92/68/65/409926865.db2.gz VJQYVZYJBPWJQZ-SNAWJCMRSA-N 0 3 178.279 2.081 20 0 AEADHN CC/C=C/CNCc1cncs1 385150228 409927080 /nfs/dbraw/zinc/92/70/80/409927080.db2.gz JXUOLCIIDFZCGB-ONEGZZNKSA-N 0 3 182.292 2.199 20 0 AEADHN CC/C=C/CNCc1ccncc1C 385172783 409927524 /nfs/dbraw/zinc/92/75/24/409927524.db2.gz MKXORDPKHOCMBY-SNAWJCMRSA-N 0 3 190.290 2.446 20 0 AEADHN CC/C=C\CNCc1ccncc1 385270618 409928078 /nfs/dbraw/zinc/92/80/78/409928078.db2.gz ZYNWLTRCXOXZLV-ARJAWSKDSA-N 0 3 176.263 2.137 20 0 AEADHN CC/C=C\CNCc1cccn1C 385240397 409928499 /nfs/dbraw/zinc/92/84/99/409928499.db2.gz VJQYVZYJBPWJQZ-PLNGDYQASA-N 0 3 178.279 2.081 20 0 AEADHN CC/C=C\CNCc1cncs1 385150223 409928615 /nfs/dbraw/zinc/92/86/15/409928615.db2.gz JXUOLCIIDFZCGB-ARJAWSKDSA-N 0 3 182.292 2.199 20 0 AEADHN CC/C=C\CNCc1ccncc1C 385172726 409928678 /nfs/dbraw/zinc/92/86/78/409928678.db2.gz MKXORDPKHOCMBY-PLNGDYQASA-N 0 3 190.290 2.446 20 0 AEADHN CC[C@@H]1C[C@H]1CNCc1ccco1 387660377 409942651 /nfs/dbraw/zinc/94/26/51/409942651.db2.gz GFYGUFAAMAATIK-ZJUUUORDSA-N 0 3 179.263 2.415 20 0 AEADHN CC[C@@H]1C[C@H]1CNCc1ccccn1 387657647 409944669 /nfs/dbraw/zinc/94/46/69/409944669.db2.gz GLKFXMZRVRRNCW-MNOVXSKESA-N 0 3 190.290 2.217 20 0 AEADHN CC[C@@H]1C[C@H]1CNCc1cncs1 387931647 409947381 /nfs/dbraw/zinc/94/73/81/409947381.db2.gz WZWPTURFGCGEHV-BDAKNGLRSA-N 0 3 196.319 2.279 20 0 AEADHN CC[C@@H]1C[C@H]1CNCc1cscn1 387927994 409947450 /nfs/dbraw/zinc/94/74/50/409947450.db2.gz UVUNLUORCCAKDR-BDAKNGLRSA-N 0 3 196.319 2.279 20 0 AEADHN CCNCc1ccc(C)cc1OC 388215157 409949003 /nfs/dbraw/zinc/94/90/03/409949003.db2.gz XFUSPZREKGFYJH-UHFFFAOYSA-N 0 3 179.263 2.113 20 0 AEADHN CCCC[C@H](COC)N[C@@H](C)CF 388753990 409962218 /nfs/dbraw/zinc/96/22/18/409962218.db2.gz CJLAPTINTIQCHO-VHSXEESVSA-N 0 3 191.290 2.139 20 0 AEADHN CCCC[C@@H](COC)N[C@@H](C)CF 388753986 409962955 /nfs/dbraw/zinc/96/29/55/409962955.db2.gz CJLAPTINTIQCHO-UWVGGRQHSA-N 0 3 191.290 2.139 20 0 AEADHN C[C@@H](NCc1cocn1)C1CCCC1 389220983 409964526 /nfs/dbraw/zinc/96/45/26/409964526.db2.gz NENFMGWKKHGHDC-SECBINFHSA-N 0 3 194.278 2.343 20 0 AEADHN C[C@H](NCc1cocn1)C1CCCC1 389220985 409965949 /nfs/dbraw/zinc/96/59/49/409965949.db2.gz NENFMGWKKHGHDC-VIFPVBQESA-N 0 3 194.278 2.343 20 0 AEADHN CCc1nc(C)c(CNCC2CC2)o1 389207918 409966240 /nfs/dbraw/zinc/96/62/40/409966240.db2.gz HJODJXRYAQWXDJ-UHFFFAOYSA-N 0 3 194.278 2.045 20 0 AEADHN CCCCCN[C@@H]1CCn2ccnc21 393341014 409981342 /nfs/dbraw/zinc/98/13/42/409981342.db2.gz XSXQEAYRMKZJLG-SNVBAGLBSA-N 0 3 193.294 2.108 20 0 AEADHN CCCCCN[C@H]1CCn2ccnc21 393341013 409982852 /nfs/dbraw/zinc/98/28/52/409982852.db2.gz XSXQEAYRMKZJLG-JTQLQIEISA-N 0 3 193.294 2.108 20 0 AEADHN Cc1nocc1CNC1(C2CC2)CC1 393503333 409984658 /nfs/dbraw/zinc/98/46/58/409984658.db2.gz ZQHFPKZCZYORQX-UHFFFAOYSA-N 0 3 192.262 2.015 20 0 AEADHN CCC[C@@H](CNCc1ccco1)OC 393511959 409984690 /nfs/dbraw/zinc/98/46/90/409984690.db2.gz ZXJBSDCHHRHDFJ-JTQLQIEISA-N 0 3 197.278 2.184 20 0 AEADHN CCc1nocc1CNCC1CCC1 393485839 409984711 /nfs/dbraw/zinc/98/47/11/409984711.db2.gz XFNSGNSBQDIPRM-UHFFFAOYSA-N 0 3 194.278 2.127 20 0 AEADHN CC(C)C1(NCc2cncs2)CC1 393477735 409984750 /nfs/dbraw/zinc/98/47/50/409984750.db2.gz SVIMFWFJZQYUKJ-UHFFFAOYSA-N 0 3 196.319 2.421 20 0 AEADHN CCc1nocc1CNCCC1CC1 393489906 409984898 /nfs/dbraw/zinc/98/48/98/409984898.db2.gz UTHFKQYFYJVGKC-UHFFFAOYSA-N 0 3 194.278 2.127 20 0 AEADHN CCC[C@H](CNCc1ccco1)OC 393511964 409985213 /nfs/dbraw/zinc/98/52/13/409985213.db2.gz ZXJBSDCHHRHDFJ-SNVBAGLBSA-N 0 3 197.278 2.184 20 0 AEADHN CCc1noc(C)c1CNCC(C)C 393499879 409985357 /nfs/dbraw/zinc/98/53/57/409985357.db2.gz ZFYFUMCWBWTRBX-UHFFFAOYSA-N 0 3 196.294 2.291 20 0 AEADHN CC(C)CCCN1CCO[C@@H](C)C1 393572947 409988480 /nfs/dbraw/zinc/98/84/80/409988480.db2.gz UDLPAMAEKXLODO-NSHDSACASA-N 0 3 185.311 2.143 20 0 AEADHN Cc1cc([C@H](C)N[C@H](C)CO)cs1 394586419 409998411 /nfs/dbraw/zinc/99/84/11/409998411.db2.gz SBNNMOLXQBGVTQ-APPZFPTMSA-N 0 3 199.319 2.088 20 0 AEADHN Cc1cc([C@@H](C)N[C@@H](C)CO)cs1 394586424 409998521 /nfs/dbraw/zinc/99/85/21/409998521.db2.gz SBNNMOLXQBGVTQ-IONNQARKSA-N 0 3 199.319 2.088 20 0 AEADHN Cc1cc([C@@H](C)N[C@H](C)CO)cs1 394586426 409998899 /nfs/dbraw/zinc/99/88/99/409998899.db2.gz SBNNMOLXQBGVTQ-VXNVDRBHSA-N 0 3 199.319 2.088 20 0 AEADHN Cc1cc([C@H](C)N[C@@H](C)CO)cs1 394586423 409999009 /nfs/dbraw/zinc/99/90/09/409999009.db2.gz SBNNMOLXQBGVTQ-CBAPKCEASA-N 0 3 199.319 2.088 20 0 AEADHN CCC1(NCc2ncc[nH]2)CCCC1 394586609 409999221 /nfs/dbraw/zinc/99/92/21/409999221.db2.gz JYVBJLZAUGNQMR-UHFFFAOYSA-N 0 3 193.294 2.222 20 0 AEADHN COCCN[C@H](C)c1csc(C)c1 394592702 409999180 /nfs/dbraw/zinc/99/91/80/409999180.db2.gz UTPTZFNSLHYRDT-SECBINFHSA-N 0 3 199.319 2.354 20 0 AEADHN Cc1cnc(CNCCC2CC2)s1 394740473 410000029 /nfs/dbraw/zinc/00/00/29/410000029.db2.gz GAFCBIFVXYJFGC-UHFFFAOYSA-N 0 3 196.319 2.341 20 0 AEADHN COCCN[C@@H](C)c1csc(C)c1 394592714 410000605 /nfs/dbraw/zinc/00/06/05/410000605.db2.gz UTPTZFNSLHYRDT-VIFPVBQESA-N 0 3 199.319 2.354 20 0 AEADHN CCC1(NCc2ncc(C)s2)CC1 394732128 410000632 /nfs/dbraw/zinc/00/06/32/410000632.db2.gz OHLLTIWAOUCMLZ-UHFFFAOYSA-N 0 3 196.319 2.484 20 0 AEADHN CC[C@@H](NCc1cocn1)C1CCC1 395067193 410001295 /nfs/dbraw/zinc/00/12/95/410001295.db2.gz GFWPFXCLJVYXEW-LLVKDONJSA-N 0 3 194.278 2.343 20 0 AEADHN CC/C=C\CNCc1ccn(C)c1 395000304 410002068 /nfs/dbraw/zinc/00/20/68/410002068.db2.gz FWCVECOEFFRDLH-PLNGDYQASA-N 0 3 178.279 2.081 20 0 AEADHN CC[C@H](NCc1cocn1)C1CCC1 395067195 410002100 /nfs/dbraw/zinc/00/21/00/410002100.db2.gz GFWPFXCLJVYXEW-NSHDSACASA-N 0 3 194.278 2.343 20 0 AEADHN CC/C=C/CNCc1cccnc1 394999500 410002821 /nfs/dbraw/zinc/00/28/21/410002821.db2.gz FRJXCSRMEBXISA-ONEGZZNKSA-N 0 3 176.263 2.137 20 0 AEADHN CC/C=C\CNCc1cccnc1 394999495 410003030 /nfs/dbraw/zinc/00/30/30/410003030.db2.gz FRJXCSRMEBXISA-ARJAWSKDSA-N 0 3 176.263 2.137 20 0 AEADHN CC/C=C/CNCc1ccn(C)c1 395000306 410003471 /nfs/dbraw/zinc/00/34/71/410003471.db2.gz FWCVECOEFFRDLH-SNAWJCMRSA-N 0 3 178.279 2.081 20 0 AEADHN CC(C)CCN[C@@H](C)c1ccncn1 396056708 410006994 /nfs/dbraw/zinc/00/69/94/410006994.db2.gz WMGXYLWIGKDICY-JTQLQIEISA-N 0 3 193.294 2.173 20 0 AEADHN CC(C)[C@H](C)N[C@@H](C)c1ccncn1 396032397 410007029 /nfs/dbraw/zinc/00/70/29/410007029.db2.gz NJHQZCSVHORGNM-UWVGGRQHSA-N 0 3 193.294 2.172 20 0 AEADHN CCCCCN[C@@H](C)c1ccncn1 396031543 410007747 /nfs/dbraw/zinc/00/77/47/410007747.db2.gz NDPUBLKECWZDQU-JTQLQIEISA-N 0 3 193.294 2.317 20 0 AEADHN CC(C)CCN[C@H](C)c1ccncn1 396056711 410007821 /nfs/dbraw/zinc/00/78/21/410007821.db2.gz WMGXYLWIGKDICY-SNVBAGLBSA-N 0 3 193.294 2.173 20 0 AEADHN C[C@H](NCC(C)(C)C)c1ccncn1 396034532 410008029 /nfs/dbraw/zinc/00/80/29/410008029.db2.gz OBLQYOQNTFXOMK-VIFPVBQESA-N 0 3 193.294 2.173 20 0 AEADHN CCC[C@H](C)N[C@@H](C)c1ccncn1 395959727 410008047 /nfs/dbraw/zinc/00/80/47/410008047.db2.gz FJYOWUCJMZXPEC-UWVGGRQHSA-N 0 3 193.294 2.316 20 0 AEADHN CC(C)[C@@H](C)N[C@@H](C)c1ccncn1 396032414 410008239 /nfs/dbraw/zinc/00/82/39/410008239.db2.gz NJHQZCSVHORGNM-ZJUUUORDSA-N 0 3 193.294 2.172 20 0 AEADHN CCC[C@@H](C)N[C@@H](C)c1ccncn1 395959737 410008314 /nfs/dbraw/zinc/00/83/14/410008314.db2.gz FJYOWUCJMZXPEC-ZJUUUORDSA-N 0 3 193.294 2.316 20 0 AEADHN C[C@@H](NCC(C)(C)C)c1ccncn1 396034531 410008550 /nfs/dbraw/zinc/00/85/50/410008550.db2.gz OBLQYOQNTFXOMK-SECBINFHSA-N 0 3 193.294 2.173 20 0 AEADHN CCCCCN[C@H](C)c1ccncn1 396031545 410008664 /nfs/dbraw/zinc/00/86/64/410008664.db2.gz NDPUBLKECWZDQU-SNVBAGLBSA-N 0 3 193.294 2.317 20 0 AEADHN CCC(CC)N[C@H](C)c1ccncn1 395782598 410008799 /nfs/dbraw/zinc/00/87/99/410008799.db2.gz ACSWJNGVXNYKQS-SECBINFHSA-N 0 3 193.294 2.316 20 0 AEADHN CCC(CC)N[C@@H](C)c1ccncn1 395782600 410008822 /nfs/dbraw/zinc/00/88/22/410008822.db2.gz ACSWJNGVXNYKQS-VIFPVBQESA-N 0 3 193.294 2.316 20 0 AEADHN CC(C)[C@@H](C)N[C@H](C)c1ccncn1 396032390 410008969 /nfs/dbraw/zinc/00/89/69/410008969.db2.gz NJHQZCSVHORGNM-NXEZZACHSA-N 0 3 193.294 2.172 20 0 AEADHN CCC[C@@H](C)N[C@H](C)c1ccncn1 395959722 410008985 /nfs/dbraw/zinc/00/89/85/410008985.db2.gz FJYOWUCJMZXPEC-NXEZZACHSA-N 0 3 193.294 2.316 20 0 AEADHN CC(C)[C@H](C)N[C@H](C)c1ccncn1 396032406 410009024 /nfs/dbraw/zinc/00/90/24/410009024.db2.gz NJHQZCSVHORGNM-VHSXEESVSA-N 0 3 193.294 2.172 20 0 AEADHN CCC[C@H](C)N[C@H](C)c1ccncn1 395959731 410009142 /nfs/dbraw/zinc/00/91/42/410009142.db2.gz FJYOWUCJMZXPEC-VHSXEESVSA-N 0 3 193.294 2.316 20 0 AEADHN CCN(CC)C/C=C(\C)Cl 396763302 410010646 /nfs/dbraw/zinc/01/06/46/410010646.db2.gz RKXMDOJHSMSEKQ-SOFGYWHQSA-N 0 3 161.676 2.471 20 0 AEADHN CC[C@H](C)CNCc1conc1C 397858235 410018537 /nfs/dbraw/zinc/01/85/37/410018537.db2.gz CHVVNIUTEGEFNM-QMMMGPOBSA-N 0 3 182.267 2.119 20 0 AEADHN CC[C@@H](C)CNCc1conc1C 397858234 410018808 /nfs/dbraw/zinc/01/88/08/410018808.db2.gz CHVVNIUTEGEFNM-MRVPVSSYSA-N 0 3 182.267 2.119 20 0 AEADHN C[C@@H]1CC[C@@H](C)[C@@](N)(c2ncc[nH]2)C1 521402060 410048430 /nfs/dbraw/zinc/04/84/30/410048430.db2.gz TUGWGABDYMIHOC-FXPVBKGRSA-N 0 3 193.294 2.020 20 0 AEADHN CCCN(C)c1ccnc(CC)c1 649256358 410179362 /nfs/dbraw/zinc/17/93/62/410179362.db2.gz ZIKIFNVXYCLATI-UHFFFAOYSA-N 0 3 178.279 2.490 20 0 AEADHN CCc1cc(N(C)CC2CC2)ccn1 649247929 410179708 /nfs/dbraw/zinc/17/97/08/410179708.db2.gz OEOXVHAZQKJAFD-UHFFFAOYSA-N 0 3 190.290 2.490 20 0 AEADHN CCN(CCc1cscn1)C1CC1 649244686 410180138 /nfs/dbraw/zinc/18/01/38/410180138.db2.gz WAKKZIGOTWOQJX-UHFFFAOYSA-N 0 3 196.319 2.170 20 0 AEADHN CCc1cc(N2CC[C@H](C)C2)ccn1 649262277 410183587 /nfs/dbraw/zinc/18/35/87/410183587.db2.gz YCVXOFAQFPVJDE-JTQLQIEISA-N 0 3 190.290 2.490 20 0 AEADHN CCc1cc(N2CC[C@@H](C)C2)ccn1 649262278 410184594 /nfs/dbraw/zinc/18/45/94/410184594.db2.gz YCVXOFAQFPVJDE-SNVBAGLBSA-N 0 3 190.290 2.490 20 0 AEADHN CCc1cc(N2CC=CCC2)ccn1 649320317 410187352 /nfs/dbraw/zinc/18/73/52/410187352.db2.gz UGBNGPJJXFWVLG-UHFFFAOYSA-N 0 3 188.274 2.410 20 0 AEADHN CN(CCc1cscn1)C1CCC1 649323905 410187880 /nfs/dbraw/zinc/18/78/80/410187880.db2.gz JWSDTBUVCNIWRH-UHFFFAOYSA-N 0 3 196.319 2.170 20 0 AEADHN CCC(=O)CCCN1CC=C(C)CC1 649396885 410193409 /nfs/dbraw/zinc/19/34/09/410193409.db2.gz WRAYGBGDMCLPMI-UHFFFAOYSA-N 0 3 195.306 2.398 20 0 AEADHN O=C1CCC(CN2CC=CCC2)CC1 649417318 410195820 /nfs/dbraw/zinc/19/58/20/410195820.db2.gz YMFIYDIQSCJTSJ-UHFFFAOYSA-N 0 3 193.290 2.008 20 0 AEADHN CC(C)N(Cc1cc[nH]n1)C(C)C 649407224 410196915 /nfs/dbraw/zinc/19/69/15/410196915.db2.gz YWIUQTZTZPNFBB-UHFFFAOYSA-N 0 3 181.283 2.029 20 0 AEADHN CCC(=O)CCCN1CC=CCC1 649417297 410197152 /nfs/dbraw/zinc/19/71/52/410197152.db2.gz VACOUTCYSIUTDJ-UHFFFAOYSA-N 0 3 181.279 2.008 20 0 AEADHN CCC(=O)CCCN1CCC=C(C)C1 649533175 410210848 /nfs/dbraw/zinc/21/08/48/410210848.db2.gz KYQHLWGMTWXQNQ-UHFFFAOYSA-N 0 3 195.306 2.398 20 0 AEADHN CC(C)N(CC1(C)CCC1)C1COC1 649694111 410224764 /nfs/dbraw/zinc/22/47/64/410224764.db2.gz AZWPYAWBYMAQSY-UHFFFAOYSA-N 0 3 197.322 2.286 20 0 AEADHN CC(C)N(C1COC1)[C@@H]1C=CCCC1 649694082 410224898 /nfs/dbraw/zinc/22/48/98/410224898.db2.gz QFSOBEDJQSWNCC-LLVKDONJSA-N 0 3 195.306 2.204 20 0 AEADHN CCCCCN(C1CC1)C1COC1 649696260 410224961 /nfs/dbraw/zinc/22/49/61/410224961.db2.gz JIASKEHPJRLSID-UHFFFAOYSA-N 0 3 183.295 2.040 20 0 AEADHN CC(C)N(C1COC1)[C@H]1C=CCCC1 649694083 410225175 /nfs/dbraw/zinc/22/51/75/410225175.db2.gz QFSOBEDJQSWNCC-NSHDSACASA-N 0 3 195.306 2.204 20 0 AEADHN CC[C@H]1CN(CC2CC2)[C@H](CC)CO1 649720379 410228023 /nfs/dbraw/zinc/22/80/23/410228023.db2.gz ISAYUZMMNASTMA-NEPJUHHUSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@H]1CN(CC(C)C)[C@H](C)CO1 649730970 410228161 /nfs/dbraw/zinc/22/81/61/410228161.db2.gz ANUAAFXSUMEWNM-MNOVXSKESA-N 0 3 185.311 2.142 20 0 AEADHN CCCCN1C[C@H](CC)OC[C@H]1C 649732258 410228274 /nfs/dbraw/zinc/22/82/74/410228274.db2.gz UZJKJEQKFDKPII-MNOVXSKESA-N 0 3 185.311 2.286 20 0 AEADHN CC[C@@H]1CN(CCC2CC2)[C@@H](C)CO1 649733526 410228415 /nfs/dbraw/zinc/22/84/15/410228415.db2.gz KITMDBRVDPNOCC-CMPLNLGQSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@@H]1CN(CC(C)C)[C@H](C)CO1 649730969 410228613 /nfs/dbraw/zinc/22/86/13/410228613.db2.gz ANUAAFXSUMEWNM-GHMZBOCLSA-N 0 3 185.311 2.142 20 0 AEADHN CCCCN1C[C@H](CC)OC[C@@H]1C 649732259 410228632 /nfs/dbraw/zinc/22/86/32/410228632.db2.gz UZJKJEQKFDKPII-QWRGUYRKSA-N 0 3 185.311 2.286 20 0 AEADHN CC[C@H]1CN(CC(C)C)[C@@H](C)CO1 649730971 410228827 /nfs/dbraw/zinc/22/88/27/410228827.db2.gz ANUAAFXSUMEWNM-QWRGUYRKSA-N 0 3 185.311 2.142 20 0 AEADHN CC[C@@H]1CN(CCC2CC2)[C@H](C)CO1 649733529 410229054 /nfs/dbraw/zinc/22/90/54/410229054.db2.gz KITMDBRVDPNOCC-ZYHUDNBSSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@H]1CN(CCC2CC2)[C@@H](C)CO1 649733527 410229076 /nfs/dbraw/zinc/22/90/76/410229076.db2.gz KITMDBRVDPNOCC-JQWIXIFHSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@H]1CN(CCC2CC2)[C@H](C)CO1 649733528 410229129 /nfs/dbraw/zinc/22/91/29/410229129.db2.gz KITMDBRVDPNOCC-PWSUYJOCSA-N 0 3 197.322 2.286 20 0 AEADHN CCCN1C[C@@H](CC)OC[C@H]1CC 649722169 410229270 /nfs/dbraw/zinc/22/92/70/410229270.db2.gz JPUVJKVOFBIIJW-GHMZBOCLSA-N 0 3 185.311 2.286 20 0 AEADHN CC[C@@H]1CN(CC(C)C)[C@@H](C)CO1 649730972 410229481 /nfs/dbraw/zinc/22/94/81/410229481.db2.gz ANUAAFXSUMEWNM-WDEREUQCSA-N 0 3 185.311 2.142 20 0 AEADHN CCCN1C[C@H](CC)OC[C@H]1CC 649722170 410229523 /nfs/dbraw/zinc/22/95/23/410229523.db2.gz JPUVJKVOFBIIJW-MNOVXSKESA-N 0 3 185.311 2.286 20 0 AEADHN CCCCN1C[C@@H](CC)OC[C@H]1C 649732238 410229815 /nfs/dbraw/zinc/22/98/15/410229815.db2.gz UZJKJEQKFDKPII-GHMZBOCLSA-N 0 3 185.311 2.286 20 0 AEADHN CC[C@@H]1CN(CC2CC2)[C@H](CC)CO1 649720382 410230116 /nfs/dbraw/zinc/23/01/16/410230116.db2.gz ISAYUZMMNASTMA-VXGBXAGGSA-N 0 3 197.322 2.286 20 0 AEADHN CCCN1C[C@H](CC)OC[C@@H]1CC 649722171 410230387 /nfs/dbraw/zinc/23/03/87/410230387.db2.gz JPUVJKVOFBIIJW-QWRGUYRKSA-N 0 3 185.311 2.286 20 0 AEADHN CC1(CN(C2CC2)C2COC2)CCC1 649698502 410230630 /nfs/dbraw/zinc/23/06/30/410230630.db2.gz QOLXTQMAFKIPEO-UHFFFAOYSA-N 0 3 195.306 2.040 20 0 AEADHN CC[C@H]1CN(CC2CC2)[C@@H](CC)CO1 649720381 410230645 /nfs/dbraw/zinc/23/06/45/410230645.db2.gz ISAYUZMMNASTMA-RYUDHWBXSA-N 0 3 197.322 2.286 20 0 AEADHN CCCCN1C[C@@H](CC)OC[C@@H]1C 649732260 410230724 /nfs/dbraw/zinc/23/07/24/410230724.db2.gz UZJKJEQKFDKPII-WDEREUQCSA-N 0 3 185.311 2.286 20 0 AEADHN CC[C@H]1CO[C@H](CC)CN1CC1CC1 649720380 410230736 /nfs/dbraw/zinc/23/07/36/410230736.db2.gz ISAYUZMMNASTMA-NWDGAFQWSA-N 0 3 197.322 2.286 20 0 AEADHN CCCN1C[C@@H](CC)OC[C@@H]1CC 649722172 410230750 /nfs/dbraw/zinc/23/07/50/410230750.db2.gz JPUVJKVOFBIIJW-WDEREUQCSA-N 0 3 185.311 2.286 20 0 AEADHN CC[C@H]1CN(CC2CCC2)[C@H](C)CO1 649733864 410232237 /nfs/dbraw/zinc/23/22/37/410232237.db2.gz PEXNDNRKDYJLPY-PWSUYJOCSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@@H]1CN(CC2CCC2)[C@H](C)CO1 649733865 410232841 /nfs/dbraw/zinc/23/28/41/410232841.db2.gz PEXNDNRKDYJLPY-ZYHUDNBSSA-N 0 3 197.322 2.286 20 0 AEADHN C[C@H]1COCCN1CCC1CCCC1 649738205 410232858 /nfs/dbraw/zinc/23/28/58/410232858.db2.gz ZDRTXZRHEPHDCH-NSHDSACASA-N 0 3 197.322 2.287 20 0 AEADHN CC[C@H]1CN(CC2CCC2)[C@@H](C)CO1 649733863 410233945 /nfs/dbraw/zinc/23/39/45/410233945.db2.gz PEXNDNRKDYJLPY-JQWIXIFHSA-N 0 3 197.322 2.286 20 0 AEADHN CC[C@@H]1CN(CC2CCC2)[C@@H](C)CO1 649733862 410234153 /nfs/dbraw/zinc/23/41/53/410234153.db2.gz PEXNDNRKDYJLPY-CMPLNLGQSA-N 0 3 197.322 2.286 20 0 AEADHN c1cc(CNC2(C3CCC3)CC2)on1 649806844 410235974 /nfs/dbraw/zinc/23/59/74/410235974.db2.gz DALAMPFWAXIQQQ-UHFFFAOYSA-N 0 3 192.262 2.097 20 0 AEADHN CCC1(NCc2ccno2)CCCC1 649824335 410240558 /nfs/dbraw/zinc/24/05/58/410240558.db2.gz RTFIKBOYCCEVOW-UHFFFAOYSA-N 0 3 194.278 2.487 20 0 AEADHN CCC1(NCc2ccon2)CCCC1 649825011 410240937 /nfs/dbraw/zinc/24/09/37/410240937.db2.gz DFIQWTNMFRBNFB-UHFFFAOYSA-N 0 3 194.278 2.487 20 0 AEADHN CCCCCN1CC[C@H](F)C1 649938231 410246350 /nfs/dbraw/zinc/24/63/50/410246350.db2.gz LHYNLMWLFCBGOD-VIFPVBQESA-N 0 3 159.248 2.220 20 0 AEADHN CC/C=C/CCN1CC[C@H](F)C1 649940599 410246455 /nfs/dbraw/zinc/24/64/55/410246455.db2.gz IIIKIERCTSCCGV-FSIBCCDJSA-N 0 3 171.259 2.387 20 0 AEADHN CC/C=C\CCN1CC[C@H](F)C1 649940600 410246642 /nfs/dbraw/zinc/24/66/42/410246642.db2.gz IIIKIERCTSCCGV-XOULXFPDSA-N 0 3 171.259 2.387 20 0 AEADHN Cc1ccc(CN(C)CCCF)nc1 649902059 410246981 /nfs/dbraw/zinc/24/69/81/410246981.db2.gz SQGRHBLZZYMPBD-UHFFFAOYSA-N 0 3 196.269 2.181 20 0 AEADHN FCCCCCN1CC[C@H](F)C1 649940613 410247948 /nfs/dbraw/zinc/24/79/48/410247948.db2.gz LKXIFXDOMUUCKP-VIFPVBQESA-N 0 3 177.238 2.170 20 0 AEADHN CN(CCCCF)Cc1ccccn1 649893096 410248042 /nfs/dbraw/zinc/24/80/42/410248042.db2.gz ZAWMPKQRFCVHSS-UHFFFAOYSA-N 0 3 196.269 2.263 20 0 AEADHN FCCCCCN1CC[C@@H](F)C1 649946043 410249419 /nfs/dbraw/zinc/24/94/19/410249419.db2.gz LKXIFXDOMUUCKP-SECBINFHSA-N 0 3 177.238 2.170 20 0 AEADHN CCCCCN1CC[C@@H](F)C1 649943564 410249648 /nfs/dbraw/zinc/24/96/48/410249648.db2.gz LHYNLMWLFCBGOD-SECBINFHSA-N 0 3 159.248 2.220 20 0 AEADHN CC/C=C\CCN1CC[C@@H](F)C1 649945421 410251291 /nfs/dbraw/zinc/25/12/91/410251291.db2.gz IIIKIERCTSCCGV-UMBAGQNISA-N 0 3 171.259 2.387 20 0 AEADHN CC/C=C/CCN1CC[C@@H](F)C1 649945420 410251300 /nfs/dbraw/zinc/25/13/00/410251300.db2.gz IIIKIERCTSCCGV-HMDXOVGESA-N 0 3 171.259 2.387 20 0 AEADHN CCCCN1CCN([C@H](C)CC)CC1 650178051 410260798 /nfs/dbraw/zinc/26/07/98/410260798.db2.gz GVFZXMXHNFQOPM-GFCCVEGCSA-N 0 3 198.354 2.203 20 0 AEADHN CCCCN1CCN([C@@H](C)CC)CC1 650178052 410261270 /nfs/dbraw/zinc/26/12/70/410261270.db2.gz GVFZXMXHNFQOPM-LBPRGKRZSA-N 0 3 198.354 2.203 20 0 AEADHN C[C@@H]1CCC(C)(C)N1Cc1c[nH]cn1 650287709 410263374 /nfs/dbraw/zinc/26/33/74/410263374.db2.gz XFRYJKYRVJUHRV-SECBINFHSA-N 0 3 193.294 2.173 20 0 AEADHN C[C@H]1CCC(C)(C)N1Cc1c[nH]cn1 650287710 410263728 /nfs/dbraw/zinc/26/37/28/410263728.db2.gz XFRYJKYRVJUHRV-VIFPVBQESA-N 0 3 193.294 2.173 20 0 AEADHN CC(C)C(NCc1ccno1)C(C)C 388905518 538439033 /nfs/dbraw/zinc/43/90/33/538439033.db2.gz OEPMKHMMNORBLO-UHFFFAOYSA-N 0 3 196.294 2.445 20 0 AEADHN CCc1ccc2c(c1)[C@@H](N)[C@@H](CC)O2 82765369 573184114 /nfs/dbraw/zinc/18/41/14/573184114.db2.gz RFWZJTXSBYXJPS-ZYHUDNBSSA-N 0 3 191.274 2.420 20 0 AEADHN CCCCCCNCc1n[nH]cc1C 393659369 573213201 /nfs/dbraw/zinc/21/32/01/573213201.db2.gz RJLYQTGMCJVPCM-UHFFFAOYSA-N 0 3 195.310 2.388 20 0 AEADHN CC(C)=CCNCc1ccc(F)nc1 308552947 573324251 /nfs/dbraw/zinc/32/42/51/573324251.db2.gz YHAIUCQJANPQSV-UHFFFAOYSA-N 0 3 194.253 2.277 20 0 AEADHN CC1(CNCc2cccc(F)n2)CC1 308571641 573398983 /nfs/dbraw/zinc/39/89/83/573398983.db2.gz KPQCYSMAGKHSJI-UHFFFAOYSA-N 0 3 194.253 2.110 20 0 AEADHN CCc1nc2c(s1)CCC[C@@H]2N 83117058 573406287 /nfs/dbraw/zinc/40/62/87/573406287.db2.gz ARZSEIAVIDOTQD-LURJTMIESA-N 0 3 182.292 2.042 20 0 AEADHN CC1CCC(NCc2ccon2)CC1 86452687 573430740 /nfs/dbraw/zinc/43/07/40/573430740.db2.gz GSXIQUCIMWWFAQ-UHFFFAOYSA-N 0 3 194.278 2.343 20 0 AEADHN CC1(NCc2cccc(F)c2)CC1 124429550 573470271 /nfs/dbraw/zinc/47/02/71/573470271.db2.gz WJVAZSQNRYXJOK-UHFFFAOYSA-N 0 3 179.238 2.468 20 0 AEADHN CO[C@H](C)CNCc1cc(C)oc1C 308623541 573568630 /nfs/dbraw/zinc/56/86/30/573568630.db2.gz UZAMNVPNNRKOPZ-SECBINFHSA-N 0 3 197.278 2.021 20 0 AEADHN CO[C@@H](C)CNCc1cc(C)oc1C 308623542 573570333 /nfs/dbraw/zinc/57/03/33/573570333.db2.gz UZAMNVPNNRKOPZ-VIFPVBQESA-N 0 3 197.278 2.021 20 0 AEADHN C[C@H](N[C@H]1CC=CCC1)c1ncc[nH]1 306172558 573744672 /nfs/dbraw/zinc/74/46/72/573744672.db2.gz BFRNPRCQCWXSGQ-UWVGGRQHSA-N 0 3 191.278 2.169 20 0 AEADHN CCc1ccc(CNC2(C)CC2)o1 131261326 573807824 /nfs/dbraw/zinc/80/78/24/573807824.db2.gz WZDIJLMWWFIABF-UHFFFAOYSA-N 0 3 179.263 2.484 20 0 AEADHN CC[C@H](C)[C@H](C)N[C@H](C)c1ncc[nH]1 252978113 573831429 /nfs/dbraw/zinc/83/14/29/573831429.db2.gz AJWZERKGRWDWIM-LPEHRKFASA-N 0 3 195.310 2.495 20 0 AEADHN CC(C)c1ccccc1[C@@H](N)[C@@H](C)O 238170339 573865748 /nfs/dbraw/zinc/86/57/48/573865748.db2.gz WGNUPOFVVAWING-SKDRFNHKSA-N 0 3 193.290 2.191 20 0 AEADHN CCCOc1ccc2c(c1)CNC2 257904317 573903350 /nfs/dbraw/zinc/90/33/50/573903350.db2.gz DWVCPAJQHGFMFJ-UHFFFAOYSA-N 0 3 177.247 2.079 20 0 AEADHN N[C@@H]1COc2ccc(C(F)F)cc21 104489407 574008561 /nfs/dbraw/zinc/00/85/61/574008561.db2.gz FCSZGUSJPDHOAA-SSDOTTSWSA-N 0 3 185.173 2.016 20 0 AEADHN CC(C)(C)[NH2+]Cc1cc([O-])cc(F)c1 159582747 518764616 /nfs/dbraw/zinc/76/46/16/518764616.db2.gz MOFGTPLLHJDLRP-UHFFFAOYSA-N 0 3 197.253 2.419 20 0 AEADHN CCN(CC)Cc1scnc1C 388479281 538432828 /nfs/dbraw/zinc/43/28/28/538432828.db2.gz TVQUABYULJQHSM-UHFFFAOYSA-N 0 3 184.308 2.293 20 0 AEADHN CC(C)NCc1ccc(Cl)cn1 70624936 519726642 /nfs/dbraw/zinc/72/66/42/519726642.db2.gz PZWNWFKRZFUYFU-UHFFFAOYSA-N 0 3 184.670 2.233 20 0 AEADHN CCCCCNCc1ccc(CO)o1 81546758 520226011 /nfs/dbraw/zinc/22/60/11/520226011.db2.gz YBQHSCWCYGURGU-UHFFFAOYSA-N 0 3 197.278 2.052 20 0 AEADHN CC1(C)C[C@H]1NCc1cncc(F)c1 230939461 520571109 /nfs/dbraw/zinc/57/11/09/520571109.db2.gz GKEBXOYYUNEZTK-SNVBAGLBSA-N 0 3 194.253 2.109 20 0 AEADHN C[C@@H]1CC[C@@H]1NCc1ncccc1F 306628343 629665835 /nfs/dbraw/zinc/66/58/35/629665835.db2.gz KEGBXZNZRXDAKG-SCZZXKLOSA-N 0 3 194.253 2.109 20 0 AEADHN C[C@H]1CC[C@H]1NCc1ncccc1F 306628344 629666445 /nfs/dbraw/zinc/66/64/45/629666445.db2.gz KEGBXZNZRXDAKG-WCBMZHEXSA-N 0 3 194.253 2.109 20 0 AEADHN C[C@H]1CC[C@@H]1NCc1ncccc1F 306628345 629667216 /nfs/dbraw/zinc/66/72/16/629667216.db2.gz KEGBXZNZRXDAKG-WPRPVWTQSA-N 0 3 194.253 2.109 20 0 AEADHN CC[C@@H](C)CN1CCn2cccc2C1 932528813 629724509 /nfs/dbraw/zinc/72/45/09/629724509.db2.gz QKWILSAIJUGROQ-LLVKDONJSA-N 0 3 192.306 2.350 20 0 AEADHN CC[C@H](C)CN1CCn2cccc2C1 932528814 629725001 /nfs/dbraw/zinc/72/50/01/629725001.db2.gz QKWILSAIJUGROQ-NSHDSACASA-N 0 3 192.306 2.350 20 0 AEADHN FCCCN1CCC(F)(F)CC1 306995759 629729983 /nfs/dbraw/zinc/72/99/83/629729983.db2.gz QZXQCBCOSNUHBZ-UHFFFAOYSA-N 0 3 181.201 2.077 20 0 AEADHN Cl/C=C/CN1C2CCC1CC2 307248281 629756543 /nfs/dbraw/zinc/75/65/43/629756543.db2.gz FCJLSBYZDLFVMG-LZCJLJQNSA-N 0 3 171.671 2.366 20 0 AEADHN CN(C[C@H]1CC1(Cl)Cl)C1CC1 307581504 629784456 /nfs/dbraw/zinc/78/44/56/629784456.db2.gz RJOVDGPSTSPTAB-ZCFIWIBFSA-N 0 3 194.105 2.274 20 0 AEADHN CC1(C)CCCN(CCF)C1 307745342 629813168 /nfs/dbraw/zinc/81/31/68/629813168.db2.gz RLGOOTCKKLDNLY-UHFFFAOYSA-N 0 3 159.248 2.078 20 0 AEADHN C1CCCC(CN2CCOCC2)CC1 196705634 629817345 /nfs/dbraw/zinc/81/73/45/629817345.db2.gz LFNQMIKULVGNCL-UHFFFAOYSA-N 0 3 197.322 2.289 20 0 AEADHN CC1(C)CCN(C/C=C\Cl)C1 307851552 629819159 /nfs/dbraw/zinc/81/91/59/629819159.db2.gz BRQXOCMSYOZHDJ-HYXAFXHYSA-N 0 3 173.687 2.471 20 0 AEADHN CCCN(C)Cc1ccc(F)nc1 308229307 629847028 /nfs/dbraw/zinc/84/70/28/629847028.db2.gz ODYQUSYSOZGQIR-UHFFFAOYSA-N 0 3 182.242 2.063 20 0 AEADHN Cl/C=C\CN1C2CCC1CC2 307918625 629967273 /nfs/dbraw/zinc/96/72/73/629967273.db2.gz FCJLSBYZDLFVMG-BHQIHCQQSA-N 0 3 171.671 2.366 20 0 AEADHN CCCC[C@H](C)NCc1cn(C)cn1 308561087 630017879 /nfs/dbraw/zinc/01/78/79/630017879.db2.gz FIQPSVHHILMWLD-JTQLQIEISA-N 0 3 195.310 2.088 20 0 AEADHN CCc1ncc(CN(C)C(C)(C)C)o1 930825985 630029290 /nfs/dbraw/zinc/02/92/90/630029290.db2.gz RHXRUNPFLHAAFU-UHFFFAOYSA-N 0 3 196.294 2.467 20 0 AEADHN CCC1CCN(CCF)CC1 147099713 630058116 /nfs/dbraw/zinc/05/81/16/630058116.db2.gz OQAKZOLOMJEYSZ-UHFFFAOYSA-N 0 3 159.248 2.078 20 0 AEADHN CCN(Cc1ocnc1C)C(C)C 893921266 630068629 /nfs/dbraw/zinc/06/86/29/630068629.db2.gz JIECFIGQMZYMCN-UHFFFAOYSA-N 0 3 182.267 2.213 20 0 AEADHN Cc1ncoc1CN(C)C1CCCC1 893915170 630068697 /nfs/dbraw/zinc/06/86/97/630068697.db2.gz PWAWMRSZYPXDHE-UHFFFAOYSA-N 0 3 194.278 2.357 20 0 AEADHN Cc1ncoc1CN1CCCC[C@H]1C 893873046 630069016 /nfs/dbraw/zinc/06/90/16/630069016.db2.gz ZVHMLHNAABQPBF-SECBINFHSA-N 0 3 194.278 2.357 20 0 AEADHN Cc1ncoc1CN1CCCC[C@@H]1C 893873047 630069608 /nfs/dbraw/zinc/06/96/08/630069608.db2.gz ZVHMLHNAABQPBF-VIFPVBQESA-N 0 3 194.278 2.357 20 0 AEADHN Cc1ncoc1CN1C2CCC1CC2 893918429 630069792 /nfs/dbraw/zinc/06/97/92/630069792.db2.gz KBYUWIBRSOPJAS-UHFFFAOYSA-N 0 3 192.262 2.110 20 0 AEADHN Cc1ncoc1CN1CCC[C@@H](C)C1 893871365 630069845 /nfs/dbraw/zinc/06/98/45/630069845.db2.gz LZTZDFXLHDZSSJ-SECBINFHSA-N 0 3 194.278 2.215 20 0 AEADHN Cc1ncoc1CN(C)CCC(C)C 893931759 630069909 /nfs/dbraw/zinc/06/99/09/630069909.db2.gz SGUUBRPXVNOYTE-UHFFFAOYSA-N 0 3 196.294 2.461 20 0 AEADHN Cc1ncoc1CN1CCC(C)CC1 893873040 630070072 /nfs/dbraw/zinc/07/00/72/630070072.db2.gz ZOFZKXLAGCHQSI-UHFFFAOYSA-N 0 3 194.278 2.215 20 0 AEADHN CCCCN(C)Cc1ocnc1C 893871823 630070090 /nfs/dbraw/zinc/07/00/90/630070090.db2.gz MMPGARGKQMYBFT-UHFFFAOYSA-N 0 3 182.267 2.215 20 0 AEADHN CCCN(CC)Cc1ocnc1C 893864713 630070383 /nfs/dbraw/zinc/07/03/83/630070383.db2.gz YZMQAUGHVPJFBA-UHFFFAOYSA-N 0 3 182.267 2.215 20 0 AEADHN Cc1ncoc1CN1CCC[C@H](C)C1 893871366 630070433 /nfs/dbraw/zinc/07/04/33/630070433.db2.gz LZTZDFXLHDZSSJ-VIFPVBQESA-N 0 3 194.278 2.215 20 0 AEADHN CN(C/C=C/Cl)C1CCC1 306415211 630107672 /nfs/dbraw/zinc/10/76/72/630107672.db2.gz PODWAESSVJWATQ-ZZXKWVIFSA-N 0 3 159.660 2.223 20 0 AEADHN CN(C/C=C/Cl)[C@H]1CCSC1 306469760 630110101 /nfs/dbraw/zinc/11/01/01/630110101.db2.gz VSLUJFKHRFXAAH-KHVHVRLGSA-N 0 3 191.727 2.176 20 0 AEADHN CN(C/C=C/Cl)[C@@H]1CCSC1 306469758 630110194 /nfs/dbraw/zinc/11/01/94/630110194.db2.gz VSLUJFKHRFXAAH-BYDTYLDUSA-N 0 3 191.727 2.176 20 0 AEADHN CC1(C)CCN(C/C=C/Cl)C1 306435791 630111847 /nfs/dbraw/zinc/11/18/47/630111847.db2.gz BRQXOCMSYOZHDJ-HWKANZROSA-N 0 3 173.687 2.471 20 0 AEADHN CCCCN(C)C/C=C/Cl 306560214 630123089 /nfs/dbraw/zinc/12/30/89/630123089.db2.gz RCRAVMVJUVWXMD-AATRIKPKSA-N 0 3 161.676 2.471 20 0 AEADHN C[C@@H]1CC[C@H]1NCc1ncccc1F 306628342 630125912 /nfs/dbraw/zinc/12/59/12/630125912.db2.gz KEGBXZNZRXDAKG-PSASIEDQSA-N 0 3 194.253 2.109 20 0 AEADHN CC[C@]1(C)CCCN(CCF)C1 306990822 630140121 /nfs/dbraw/zinc/14/01/21/630140121.db2.gz JKWBKKBPBKDRDQ-SNVBAGLBSA-N 0 3 173.275 2.468 20 0 AEADHN CC[C@@]1(C)CCCN(CCF)C1 306990821 630140696 /nfs/dbraw/zinc/14/06/96/630140696.db2.gz JKWBKKBPBKDRDQ-JTQLQIEISA-N 0 3 173.275 2.468 20 0 AEADHN CC1CC(NCc2cccc(F)n2)C1 306971610 630141661 /nfs/dbraw/zinc/14/16/61/630141661.db2.gz SQHDIHYXZWZGSP-UHFFFAOYSA-N 0 3 194.253 2.109 20 0 AEADHN CN(C/C=C/Cl)CC1CC1 307268477 630157613 /nfs/dbraw/zinc/15/76/13/630157613.db2.gz FYXWGHXLHXZOJZ-GORDUTHDSA-N 0 3 159.660 2.081 20 0 AEADHN C[C@H]1CC[C@H](C)C1NCc1ccon1 307300111 630161351 /nfs/dbraw/zinc/16/13/51/630161351.db2.gz RZBBGJBCIGIKGP-IUCAKERBSA-N 0 3 194.278 2.199 20 0 AEADHN C[C@@H]1CC[C@@H](C)C1NCc1ccon1 307300116 630161579 /nfs/dbraw/zinc/16/15/79/630161579.db2.gz RZBBGJBCIGIKGP-RKDXNWHRSA-N 0 3 194.278 2.199 20 0 AEADHN CN(C[C@@H]1CC1(Cl)Cl)C1CC1 307581503 630171473 /nfs/dbraw/zinc/17/14/73/630171473.db2.gz RJOVDGPSTSPTAB-LURJTMIESA-N 0 3 194.105 2.274 20 0 AEADHN Cc1cccc(C)c1[C@H](N)CF 238514254 630222238 /nfs/dbraw/zinc/22/22/38/630222238.db2.gz VOQXEYXVABNMGX-SECBINFHSA-N 0 3 167.227 2.273 20 0 AEADHN Cc1cccc(C)c1[C@@H](N)CF 238513408 630224922 /nfs/dbraw/zinc/22/49/22/630224922.db2.gz VOQXEYXVABNMGX-VIFPVBQESA-N 0 3 167.227 2.273 20 0 AEADHN CC1CC(NCc2ccncc2F)C1 336208374 630249626 /nfs/dbraw/zinc/24/96/26/630249626.db2.gz GCKYNTJKPIAONN-UHFFFAOYSA-N 0 3 194.253 2.109 20 0 AEADHN CC[C@H](NCc1ccon1)C1CCC1 322761922 630456336 /nfs/dbraw/zinc/45/63/36/630456336.db2.gz CZAQEAQVPTXICA-NSHDSACASA-N 0 3 194.278 2.343 20 0 AEADHN CC[C@@H](NCc1ccon1)C1CCC1 322761921 630456499 /nfs/dbraw/zinc/45/64/99/630456499.db2.gz CZAQEAQVPTXICA-LLVKDONJSA-N 0 3 194.278 2.343 20 0 AEADHN CC[C@@](C)(N)c1cc(C2CC2)no1 901396585 630747343 /nfs/dbraw/zinc/74/73/43/630747343.db2.gz PPIRTMKUMKQQFB-SNVBAGLBSA-N 0 3 180.251 2.136 20 0 AEADHN CNC(C)(C)c1cc(C2CC2)no1 901397240 630747741 /nfs/dbraw/zinc/74/77/41/630747741.db2.gz WLMFFIMBBMSSFQ-UHFFFAOYSA-N 0 3 180.251 2.007 20 0 AEADHN CC[C@](C)(N)c1cc(C2CC2)no1 901396584 630747771 /nfs/dbraw/zinc/74/77/71/630747771.db2.gz PPIRTMKUMKQQFB-JTQLQIEISA-N 0 3 180.251 2.136 20 0 AEADHN CC(C)=CCNCc1ccc(C)nc1 232615290 630749555 /nfs/dbraw/zinc/74/95/55/630749555.db2.gz RFOQFIARBMGKHQ-UHFFFAOYSA-N 0 3 190.290 2.446 20 0 AEADHN CCN(Cc1cc(C)no1)C(C)C 917089779 630789906 /nfs/dbraw/zinc/78/99/06/630789906.db2.gz YBOAGXQZISSCQL-UHFFFAOYSA-N 0 3 182.267 2.213 20 0 AEADHN C#CCN(C)Cc1ccc(CC)cc1 150195631 630800482 /nfs/dbraw/zinc/80/04/82/630800482.db2.gz VBHAACPQDLMJAB-UHFFFAOYSA-N 0 3 187.286 2.314 20 0 AEADHN CCCC[NH2+]Cc1ccc([O-])c(F)c1 83342750 630834819 /nfs/dbraw/zinc/83/48/19/630834819.db2.gz HGBXVLBCGSCETL-UHFFFAOYSA-N 0 3 197.253 2.421 20 0 AEADHN COC[C@@H](C)NCc1cc(C)oc1C 165002275 630837901 /nfs/dbraw/zinc/83/79/01/630837901.db2.gz VLOATBLXWUDSNI-MRVPVSSYSA-N 0 3 197.278 2.021 20 0 AEADHN COC[C@H](C)NCc1cc(C)oc1C 165002136 630840381 /nfs/dbraw/zinc/84/03/81/630840381.db2.gz VLOATBLXWUDSNI-QMMMGPOBSA-N 0 3 197.278 2.021 20 0 AEADHN CCC[NH2+]Cc1ccc([O-])c(F)c1 83340812 630844726 /nfs/dbraw/zinc/84/47/26/630844726.db2.gz IKEBYTCRWKMMOH-UHFFFAOYSA-N 0 3 183.226 2.031 20 0 AEADHN C[C@@H]1C[C@H]1[C@@H]1C[C@H]1NCc1ccco1 922513004 630875015 /nfs/dbraw/zinc/87/50/15/630875015.db2.gz YOJNLNGYSBMFRB-KXGXSXBTSA-N 0 3 191.274 2.414 20 0 AEADHN Cc1ncsc1CN[C@@H]1C=CCC1 700601808 630880815 /nfs/dbraw/zinc/88/08/15/630880815.db2.gz FJSGNARSPYORGK-SECBINFHSA-N 0 3 194.303 2.260 20 0 AEADHN Cc1cc(CN[C@H]2C=CCC2)sn1 700489033 630881401 /nfs/dbraw/zinc/88/14/01/630881401.db2.gz KLRLRSDVVOCXRH-VIFPVBQESA-N 0 3 194.303 2.260 20 0 AEADHN Cc1ccoc1CN[C@H]1C=CCC1 700544548 630881499 /nfs/dbraw/zinc/88/14/99/630881499.db2.gz TZXRNALAAKZELZ-JTQLQIEISA-N 0 3 177.247 2.396 20 0 AEADHN Cc1ncsc1CN[C@H]1C=CCC1 700601810 630881807 /nfs/dbraw/zinc/88/18/07/630881807.db2.gz FJSGNARSPYORGK-VIFPVBQESA-N 0 3 194.303 2.260 20 0 AEADHN Cc1ccoc1CN[C@@H]1C=CCC1 700544549 630882207 /nfs/dbraw/zinc/88/22/07/630882207.db2.gz TZXRNALAAKZELZ-SNVBAGLBSA-N 0 3 177.247 2.396 20 0 AEADHN Cc1cc(CN[C@@H]2C=CCC2)sn1 700489032 630882368 /nfs/dbraw/zinc/88/23/68/630882368.db2.gz KLRLRSDVVOCXRH-SECBINFHSA-N 0 3 194.303 2.260 20 0 AEADHN Cc1sccc1CNC1CSC1 702027943 630888319 /nfs/dbraw/zinc/88/83/19/630888319.db2.gz AHCCJCCKOGAUBX-UHFFFAOYSA-N 0 3 199.344 2.262 20 0 AEADHN Cc1ncoc1CN[C@@]12CCC[C@@H]1C2 923021003 630892004 /nfs/dbraw/zinc/89/20/04/630892004.db2.gz OPKPQHLILTVNGF-MWLCHTKSSA-N 0 3 192.262 2.015 20 0 AEADHN CCCN(CC)Cc1cnc(C)cn1 749442318 630907144 /nfs/dbraw/zinc/90/71/44/630907144.db2.gz WDUHZIDAKAMIFE-UHFFFAOYSA-N 0 3 193.294 2.017 20 0 AEADHN CCCCN(C)Cc1cnc(C)cn1 749436577 630907430 /nfs/dbraw/zinc/90/74/30/630907430.db2.gz NLYFOGASTYCAOE-UHFFFAOYSA-N 0 3 193.294 2.017 20 0 AEADHN Cc1ccc(CN[C@H]2CC2(C)C)cn1 158160200 524608024 /nfs/dbraw/zinc/60/80/24/524608024.db2.gz XLEVQQFVAYFHKS-NSHDSACASA-N 0 3 190.290 2.278 20 0 AEADHN CC/C=C/CNCc1ccc(F)nc1 824708752 630941974 /nfs/dbraw/zinc/94/19/74/630941974.db2.gz IUIZHIITLBUYNF-ONEGZZNKSA-N 0 3 194.253 2.277 20 0 AEADHN CC/C=C\CNCc1ccc(F)nc1 824708751 630942224 /nfs/dbraw/zinc/94/22/24/630942224.db2.gz IUIZHIITLBUYNF-ARJAWSKDSA-N 0 3 194.253 2.277 20 0 AEADHN C[C@H](NCCC(C)(C)F)c1ncc[nH]1 850532216 630974087 /nfs/dbraw/zinc/97/40/87/630974087.db2.gz QOCXVUMWVJJXQL-QMMMGPOBSA-N 0 3 199.273 2.199 20 0 AEADHN C[C@@H](NCCC(C)(C)F)c1ncc[nH]1 850532212 630974963 /nfs/dbraw/zinc/97/49/63/630974963.db2.gz QOCXVUMWVJJXQL-MRVPVSSYSA-N 0 3 199.273 2.199 20 0 AEADHN CCCCN[C@@H](C)c1cc(OC)no1 924530614 631033679 /nfs/dbraw/zinc/03/36/79/631033679.db2.gz DGKIIVZXYDBBSV-QMMMGPOBSA-N 0 3 198.266 2.134 20 0 AEADHN CCCCN[C@H](C)c1cc(OC)no1 924530613 631034022 /nfs/dbraw/zinc/03/40/22/631034022.db2.gz DGKIIVZXYDBBSV-MRVPVSSYSA-N 0 3 198.266 2.134 20 0 AEADHN CC[C@@H](C)N[C@H](C)c1cc(OC)no1 924536770 631034446 /nfs/dbraw/zinc/03/44/46/631034446.db2.gz BCPUZNDGTYNOKC-HTQZYQBOSA-N 0 3 198.266 2.132 20 0 AEADHN CC[C@H](C)N[C@@H](C)c1cc(OC)no1 924536773 631035102 /nfs/dbraw/zinc/03/51/02/631035102.db2.gz BCPUZNDGTYNOKC-YUMQZZPRSA-N 0 3 198.266 2.132 20 0 AEADHN CC[C@H](C)N[C@H](C)c1cc(OC)no1 924536771 631036152 /nfs/dbraw/zinc/03/61/52/631036152.db2.gz BCPUZNDGTYNOKC-JGVFFNPUSA-N 0 3 198.266 2.132 20 0 AEADHN CC[C@@H](C)N[C@@H](C)c1cc(OC)no1 924536772 631036663 /nfs/dbraw/zinc/03/66/63/631036663.db2.gz BCPUZNDGTYNOKC-SFYZADRCSA-N 0 3 198.266 2.132 20 0 AEADHN CCC1(N[C@@H](C)c2cn(C)cn2)CC1 926508221 631062694 /nfs/dbraw/zinc/06/26/94/631062694.db2.gz CVYKKQQLUDDPNB-VIFPVBQESA-N 0 3 193.294 2.013 20 0 AEADHN CCC1(N[C@H](C)c2cn(C)cn2)CC1 926508220 631064212 /nfs/dbraw/zinc/06/42/12/631064212.db2.gz CVYKKQQLUDDPNB-SECBINFHSA-N 0 3 193.294 2.013 20 0 AEADHN CCCCN(C)Cc1cnc(CC)o1 929124605 631081113 /nfs/dbraw/zinc/08/11/13/631081113.db2.gz NYSOCLJLDXOCKF-UHFFFAOYSA-N 0 3 196.294 2.469 20 0 AEADHN CC[C@@H]1CN(C[C@@H]2C[C@H]2CC)CCO1 929257660 631088527 /nfs/dbraw/zinc/08/85/27/631088527.db2.gz PDGHZQNYJXDKPC-GRYCIOLGSA-N 0 3 197.322 2.143 20 0 AEADHN Cc1cc(C)nc(CN(C)C2CC2)c1 929275602 631088874 /nfs/dbraw/zinc/08/88/74/631088874.db2.gz WCNZMDMXWGUZBY-UHFFFAOYSA-N 0 3 190.290 2.293 20 0 AEADHN CCc1ncc(CN(C)CC2CC2)o1 929289695 631090385 /nfs/dbraw/zinc/09/03/85/631090385.db2.gz DCAVPEAFPDKYBU-UHFFFAOYSA-N 0 3 194.278 2.079 20 0 AEADHN CC[C@H]1CN(C[C@@H]2C[C@H]2CC)CCO1 929257661 631090417 /nfs/dbraw/zinc/09/04/17/631090417.db2.gz PDGHZQNYJXDKPC-WOPDTQHZSA-N 0 3 197.322 2.143 20 0 AEADHN CCc1ncc(CN(C)CC(C)C)o1 929362158 631092117 /nfs/dbraw/zinc/09/21/17/631092117.db2.gz NUUMQMFKSLPTTO-UHFFFAOYSA-N 0 3 196.294 2.325 20 0 AEADHN CCCN(CC)Cc1cnc(CC)o1 929366337 631092917 /nfs/dbraw/zinc/09/29/17/631092917.db2.gz FCZBZLBJSWGAQL-UHFFFAOYSA-N 0 3 196.294 2.469 20 0 AEADHN CCc1ncc(CN(CC)C(C)C)o1 929316795 631092004 /nfs/dbraw/zinc/09/20/04/631092004.db2.gz TWUFAGYISRWIPM-UHFFFAOYSA-N 0 3 196.294 2.467 20 0 AEADHN CCc1ncc(CN2CC[C@@H](C)C2)o1 929462370 631094404 /nfs/dbraw/zinc/09/44/04/631094404.db2.gz SOXCIEJAEYMYRU-SECBINFHSA-N 0 3 194.278 2.079 20 0 AEADHN CCc1ncc(CN2CC[C@H](C)C2)o1 929462372 631094995 /nfs/dbraw/zinc/09/49/95/631094995.db2.gz SOXCIEJAEYMYRU-VIFPVBQESA-N 0 3 194.278 2.079 20 0 AEADHN CCc1ncc(CN2CCC[C@@H]2C)o1 929755680 631101017 /nfs/dbraw/zinc/10/10/17/631101017.db2.gz WKXJITKYXNVQGD-VIFPVBQESA-N 0 3 194.278 2.221 20 0 AEADHN CCc1ncc(CN2CCC[C@H]2C)o1 929755679 631101697 /nfs/dbraw/zinc/10/16/97/631101697.db2.gz WKXJITKYXNVQGD-SECBINFHSA-N 0 3 194.278 2.221 20 0 AEADHN CCc1onc(C)c1CN(C)C(C)C 929837443 631103544 /nfs/dbraw/zinc/10/35/44/631103544.db2.gz WFHHBROCXHVOEP-UHFFFAOYSA-N 0 3 196.294 2.386 20 0 AEADHN Cc1cc(CN[C@@H]2CCC[C@@H]2C)on1 83391029 524772137 /nfs/dbraw/zinc/77/21/37/524772137.db2.gz YCJYGDZEOLDYIO-GZMMTYOYSA-N 0 3 194.278 2.261 20 0 AEADHN CCC[C@H](C)N1CCn2cccc2C1 932525085 631134821 /nfs/dbraw/zinc/13/48/21/631134821.db2.gz UBZQKOFFRMGMPG-NSHDSACASA-N 0 3 192.306 2.492 20 0 AEADHN CC[C@H](C)N1CCn2cccc2C1 932526493 631134840 /nfs/dbraw/zinc/13/48/40/631134840.db2.gz VDHDAONZTMCDLD-JTQLQIEISA-N 0 3 178.279 2.102 20 0 AEADHN CCC[C@@H](C)N1CCn2cccc2C1 932525082 631135145 /nfs/dbraw/zinc/13/51/45/631135145.db2.gz UBZQKOFFRMGMPG-LLVKDONJSA-N 0 3 192.306 2.492 20 0 AEADHN CC[C@@H](C)N1CCn2cccc2C1 932526494 631135164 /nfs/dbraw/zinc/13/51/64/631135164.db2.gz VDHDAONZTMCDLD-SNVBAGLBSA-N 0 3 178.279 2.102 20 0 AEADHN c1cc2n(c1)CCN(CCC1CC1)C2 932526216 631135303 /nfs/dbraw/zinc/13/53/03/631135303.db2.gz KSGZSWOPFLTKAG-UHFFFAOYSA-N 0 3 190.290 2.104 20 0 AEADHN CC(C)CCN1CCn2cccc2C1 932529325 631135536 /nfs/dbraw/zinc/13/55/36/631135536.db2.gz NUFCFCCXPHUKKR-UHFFFAOYSA-N 0 3 192.306 2.350 20 0 AEADHN c1cc2n(c1)CCN(CC1CCC1)C2 932525672 631135714 /nfs/dbraw/zinc/13/57/14/631135714.db2.gz CILMAFZJEJRJQS-UHFFFAOYSA-N 0 3 190.290 2.104 20 0 AEADHN CCCCCN1CCn2cccc2C1 932526768 631136304 /nfs/dbraw/zinc/13/63/04/631136304.db2.gz XOVZHAWNPFIVCP-UHFFFAOYSA-N 0 3 192.306 2.494 20 0 AEADHN c1cc2n(c1)CCN(C1CCCC1)C2 932528656 631136357 /nfs/dbraw/zinc/13/63/57/631136357.db2.gz LFIINGMQOHAIQP-UHFFFAOYSA-N 0 3 190.290 2.246 20 0 AEADHN CCCCN1CCn2cccc2C1 932529171 631136399 /nfs/dbraw/zinc/13/63/99/631136399.db2.gz IQJQOFPLNJKZKR-UHFFFAOYSA-N 0 3 178.279 2.104 20 0 AEADHN CC1CCN(C/C=C/Cl)CC1 41362425 631153513 /nfs/dbraw/zinc/15/35/13/631153513.db2.gz ICSPWVVJVQYFMF-GORDUTHDSA-N 0 3 173.687 2.471 20 0 AEADHN Cc1csc(CNCC2CCC2)n1 79055181 631156585 /nfs/dbraw/zinc/15/65/85/631156585.db2.gz NSYCTUBHSMXWTG-UHFFFAOYSA-N 0 3 196.319 2.341 20 0 AEADHN C[C@H](NC1CCCC1)c1cnccn1 70024390 525293759 /nfs/dbraw/zinc/29/37/59/525293759.db2.gz MBGMCYWJKKVFGA-VIFPVBQESA-N 0 3 191.278 2.070 20 0 AEADHN CCN[C@@H](C)c1cccnc1Cl 166463730 1224198572 /nfs/dbraw/zinc/19/85/72/1224198572.db2.gz OALNWFBLDBSLDH-ZETCQYMHSA-N 0 3 184.670 2.406 20 0 AEADHN CCN[C@H](C)c1cccnc1Cl 166463839 1224198853 /nfs/dbraw/zinc/19/88/53/1224198853.db2.gz OALNWFBLDBSLDH-SSDOTTSWSA-N 0 3 184.670 2.406 20 0 AEADHN CC(C)=CCNCc1ncccc1C 232619915 1224235752 /nfs/dbraw/zinc/23/57/52/1224235752.db2.gz FJWWBCGKJKCGCF-UHFFFAOYSA-N 0 3 190.290 2.446 20 0 AEADHN Fc1cc(Cl)cc2c1CNCC2 238593150 1224237667 /nfs/dbraw/zinc/23/76/67/1224237667.db2.gz SVZJTBYTBLRAAA-UHFFFAOYSA-N 0 3 185.629 2.125 20 0 AEADHN CC1(C)CCN(CCF)CCS1 306535639 1224265798 /nfs/dbraw/zinc/26/57/98/1224265798.db2.gz PWGLZRUWUDYTFR-UHFFFAOYSA-N 0 3 191.315 2.173 20 0 AEADHN C(=C/C1CC1)\CNCc1ccncc1 378872215 1224305670 /nfs/dbraw/zinc/30/56/70/1224305670.db2.gz QPBRCESNIKXTRX-OWOJBTEDSA-N 0 3 188.274 2.137 20 0 AEADHN C(=C\C1CC1)\CNCc1ccncc1 378872216 1224306081 /nfs/dbraw/zinc/30/60/81/1224306081.db2.gz QPBRCESNIKXTRX-UPHRSURJSA-N 0 3 188.274 2.137 20 0 AEADHN CC1(C)CN(Cc2cnc[nH]2)C1(C)C 1331950365 1224453704 /nfs/dbraw/zinc/45/37/04/1224453704.db2.gz PCXCBQFLGXMYAZ-UHFFFAOYSA-N 0 3 193.294 2.030 20 0 AEADHN CC[C@@H](C)CNCc1ccc(F)cn1 389290866 538440273 /nfs/dbraw/zinc/44/02/73/538440273.db2.gz ZDKICBAATTZOSA-SECBINFHSA-N 0 3 196.269 2.356 20 0 AEADHN