smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N(C)c1ccc(/N=C/c2ccc(C(C)C)cc2)cc1 ZINC000000027596 567901837 /nfs/dbraw/zinc/90/18/37/567901837.db2.gz GTAOPVFBVNELCA-DEDYPNTBSA-N 0 0 294.398 4.543 40 30 CJEBRN CCC(N=NC(=S)Nc1cccc(C)c1)c1ccccc1 ZINC000000027905 567901619 /nfs/dbraw/zinc/90/16/19/567901619.db2.gz YXRSTZXRGIBZBD-MNDPQUGUSA-N 0 0 297.427 4.507 40 30 CJEBRN N#Cc1c(C(F)(F)F)cc(-c2cccs2)oc1=S ZINC000000031211 169509754 /nfs/dbraw/zinc/50/97/54/169509754.db2.gz VLEXSZCZELVWTL-UHFFFAOYSA-N 0 0 287.287 4.628 40 30 CJEBRN Cc1ccc(C)c(/N=C\c2c(O)ccc3ccccc32)c1 ZINC000000046035 567816954 /nfs/dbraw/zinc/81/69/54/567816954.db2.gz WFTMMDRADYRWGW-NDENLUEZSA-N 0 0 275.351 4.913 40 30 CJEBRN Cc1ccc(/N=C\c2c(O)ccc3ccccc32)c(C)c1 ZINC000000061279 567817427 /nfs/dbraw/zinc/81/74/27/567817427.db2.gz OXXMQKOVIVAAJR-NDENLUEZSA-N 0 0 275.351 4.913 40 30 CJEBRN Cc1cccc(/N=C\c2c(O)ccc3ccccc32)c1C ZINC000000061297 567817444 /nfs/dbraw/zinc/81/74/44/567817444.db2.gz WLICCJVXTALUGI-NDENLUEZSA-N 0 0 275.351 4.913 40 30 CJEBRN Cc1cccc(/N=C\c2c(O)ccc3ccccc32)c1 ZINC000000061299 567817419 /nfs/dbraw/zinc/81/74/19/567817419.db2.gz KPOSMMCBBUZMRX-UNOMPAQXSA-N 0 0 261.324 4.604 40 30 CJEBRN Cc1ccccc1/N=C\c1c(O)ccc2ccccc21 ZINC000000061301 567817330 /nfs/dbraw/zinc/81/73/30/567817330.db2.gz DHMQBAZAQAXKEX-UNOMPAQXSA-N 0 0 261.324 4.604 40 30 CJEBRN O=C1c2ccccc2CCC/C1=C/c1ccc(Cl)cc1 ZINC000000104189 567818512 /nfs/dbraw/zinc/81/85/12/567818512.db2.gz HBWKTUXEDYGARY-QINSGFPZSA-N 0 0 282.770 4.943 40 30 CJEBRN O=C1c2ccccc2CC/C1=C/c1ccc(Cl)cc1 ZINC000000105044 534852866 /nfs/dbraw/zinc/85/28/66/534852866.db2.gz OWFGMURBYHPNJK-KAMYIIQDSA-N 0 0 268.743 4.553 40 30 CJEBRN N#Cc1sc(C#N)c(-c2ccccc2)c1-c1ccccc1 ZINC000000108796 169539060 /nfs/dbraw/zinc/53/90/60/169539060.db2.gz LTPXRGSCPXEMFC-UHFFFAOYSA-N 0 0 286.359 4.825 40 30 CJEBRN N#C[C@H]1Cc2c(Cl)ccc(Cl)c2-c2cccc(F)c21 ZINC000000133218 567929278 /nfs/dbraw/zinc/92/92/78/567929278.db2.gz DAHRYXWYZNQQNW-MRVPVSSYSA-N 0 0 292.140 4.963 40 30 CJEBRN N#C[C@@H]1Cc2c(Cl)ccc(Cl)c2-c2cccc(F)c21 ZINC000000133219 567929290 /nfs/dbraw/zinc/92/92/90/567929290.db2.gz DAHRYXWYZNQQNW-QMMMGPOBSA-N 0 0 292.140 4.963 40 30 CJEBRN Cc1ccc2c(c1)-c1ccc(Br)cc1C[C@H]2C#N ZINC000000133243 567929188 /nfs/dbraw/zinc/92/91/88/567929188.db2.gz XCPKTNSXKPFUPO-LBPRGKRZSA-N 0 0 298.183 4.588 40 30 CJEBRN Cc1ccc2c(c1)-c1ccc(Br)cc1C[C@@H]2C#N ZINC000000133245 567929259 /nfs/dbraw/zinc/92/92/59/567929259.db2.gz XCPKTNSXKPFUPO-GFCCVEGCSA-N 0 0 298.183 4.588 40 30 CJEBRN Cc1ccc(C(=O)/C=C/Sc2nc3ccccc3o2)cc1 ZINC000000174399 169564146 /nfs/dbraw/zinc/56/41/46/169564146.db2.gz OTUGXZMXDBRYBG-ZHACJKMWSA-N 0 0 295.363 4.625 40 30 CJEBRN Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C#N)c2c1 ZINC000000194866 570387167 /nfs/dbraw/zinc/38/71/67/570387167.db2.gz PGAHMXAVKKSXIL-UHFFFAOYSA-N 0 0 278.742 4.735 40 30 CJEBRN Cc1cc(C)c(C#N)c(Nc2cccc(Cl)c2Cl)n1 ZINC000000278509 570387491 /nfs/dbraw/zinc/38/74/91/570387491.db2.gz RHZRBPDNMVZTQK-UHFFFAOYSA-N 0 0 292.169 4.621 40 30 CJEBRN Cc1[nH]c2ccccc2c1/C=N/c1ccc(C)c(C)c1 ZINC000000282379 570378508 /nfs/dbraw/zinc/37/85/08/570378508.db2.gz BZMUYLBFVKPLEH-YBFXNURJSA-N 0 0 262.356 4.844 40 30 CJEBRN Cc1sc(/N=C/c2ccccc2O)nc1-c1ccccc1 ZINC000000286108 567824080 /nfs/dbraw/zinc/82/40/80/567824080.db2.gz PKTYYTIPYNTDIT-WOJGMQOQSA-N 0 0 294.379 4.575 40 30 CJEBRN COc1ccc(/C=N/c2ccc(F)cc2)c2ccccc12 ZINC000000292139 567929451 /nfs/dbraw/zinc/92/94/51/567929451.db2.gz GIKXCICHEQMYAE-UDWIEESQSA-N 0 0 279.314 4.738 40 30 CJEBRN O=[N+]([O-])c1ccc(-c2ccc(/N=C/c3ccco3)cc2)cc1 ZINC000000296030 570378654 /nfs/dbraw/zinc/37/86/54/570378654.db2.gz FANMDPNTOKXORM-LDADJPATSA-N 0 0 292.294 4.605 40 30 CJEBRN Cc1ccc(/N=C/c2ccccc2)cc1Br ZINC000000342681 169612233 /nfs/dbraw/zinc/61/22/33/169612233.db2.gz MENJQFOIOWWSLT-MHWRWJLKSA-N 0 0 274.161 4.508 40 30 CJEBRN C=CCc1c(C)nc2c(Cl)cccc2c1Cl ZINC000000345814 567929515 /nfs/dbraw/zinc/92/95/15/567929515.db2.gz YEGQJDPUYVNZTC-UHFFFAOYSA-N 0 0 252.144 4.579 40 30 CJEBRN Cc1cc(C)c2nc(Oc3ccccc3)c(C#N)cc2c1 ZINC000000349939 570387816 /nfs/dbraw/zinc/38/78/16/570387816.db2.gz RNYQGOCPKGBYQV-UHFFFAOYSA-N 0 0 274.323 4.516 40 30 CJEBRN O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3ccccc3)o2)c1 ZINC000000358065 567929921 /nfs/dbraw/zinc/92/99/21/567929921.db2.gz ZEFHDUFNMXUULL-LDADJPATSA-N 0 0 292.294 4.605 40 30 CJEBRN Clc1ccc(/C=N\c2cccc3ncccc23)cc1 ZINC000000411415 567929956 /nfs/dbraw/zinc/92/99/56/567929956.db2.gz IPMHHSWTJSTNGE-ODLFYWEKSA-N 0 0 266.731 4.639 40 30 CJEBRN Cc1ccc(/N=C/c2ccc(OC3CSC3)cc2)cc1C ZINC000000440264 169641310 /nfs/dbraw/zinc/64/13/10/169641310.db2.gz RUDRXXSQSHHQDE-VXLYETTFSA-N 0 0 297.423 4.548 40 30 CJEBRN Cc1ccc(/N=C/c2ccc3ccccc3c2O)cc1C ZINC000000447785 567830611 /nfs/dbraw/zinc/83/06/11/567830611.db2.gz DBXIOKDGOLQDAC-UDWIEESQSA-N 0 0 275.351 4.913 40 30 CJEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1cccc(C)c1C)C2 ZINC000000472428 566899681 /nfs/dbraw/zinc/89/96/81/566899681.db2.gz BZGWOKCEFNGSIQ-DNVCBOLYSA-N 0 0 283.415 4.624 40 30 CJEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1cccc(C)c1C)C2 ZINC000000472430 566899751 /nfs/dbraw/zinc/89/97/51/566899751.db2.gz BZGWOKCEFNGSIQ-KXBFYZLASA-N 0 0 283.415 4.624 40 30 CJEBRN CCOc1ccc(/N=C/c2cccc3ccccc23)cc1 ZINC000000497899 169656617 /nfs/dbraw/zinc/65/66/17/169656617.db2.gz GGZUYTAUDWPRQX-XSFVSMFZSA-N 0 0 275.351 4.989 40 30 CJEBRN CCc1cccc2c(C#N)cn(Cc3ccccc3Cl)c21 ZINC000000555531 567106287 /nfs/dbraw/zinc/10/62/87/567106287.db2.gz VKMFXWHNXDUERK-UHFFFAOYSA-N 0 0 294.785 4.777 40 30 CJEBRN Clc1cccc(Cl)c1/C=N/c1ccccc1 ZINC000000571279 570317625 /nfs/dbraw/zinc/31/76/25/570317625.db2.gz RSMDSQMJKAEWPT-CXUHLZMHSA-N 0 0 250.128 4.744 40 30 CJEBRN Cc1ccc(/N=C/c2ccc(Br)cc2)cc1C ZINC000000571409 169670468 /nfs/dbraw/zinc/67/04/68/169670468.db2.gz AEWHXOMLZUGGBG-LICLKQGHSA-N 0 0 288.188 4.817 40 30 CJEBRN Fc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1 ZINC000000572149 567834016 /nfs/dbraw/zinc/83/40/16/567834016.db2.gz WHFVSGWXECKZKN-DJKKODMXSA-N 0 0 267.225 4.595 40 30 CJEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1O ZINC000000575684 566928753 /nfs/dbraw/zinc/92/87/53/566928753.db2.gz JNNCXNKIRCERFJ-VCHYOVAHSA-N 0 0 289.762 4.503 40 30 CJEBRN Fc1ccc(/C=N/c2cc(Cl)ccc2Cl)cc1 ZINC000000575818 567833891 /nfs/dbraw/zinc/83/38/91/567833891.db2.gz NTKANSFUOMFQCG-CAOOACKPSA-N 0 0 268.118 4.883 40 30 CJEBRN CC1(C)CC(=O)C2=C(C1)Oc1c(Cl)cc(Cl)cc1C2 ZINC000001048208 567835916 /nfs/dbraw/zinc/83/59/16/567835916.db2.gz AQYKGJAXUVQFNQ-UHFFFAOYSA-N 0 0 297.181 4.572 40 30 CJEBRN CN(C)c1ccc(/C=N/c2cccc(Cl)c2Cl)cc1 ZINC000001090372 567836025 /nfs/dbraw/zinc/83/60/25/567836025.db2.gz VQEXZUOGRWOJRN-VCHYOVAHSA-N 0 0 293.197 4.810 40 30 CJEBRN Clc1ccc(/C=N/c2ccc3ncccc3c2)s1 ZINC000001095158 567836178 /nfs/dbraw/zinc/83/61/78/567836178.db2.gz SWBWWJVZRDSCKJ-RQZCQDPDSA-N 0 0 272.760 4.700 40 30 CJEBRN C[C@H](/N=C/c1ccc2ccccc2c1O)c1ccccc1 ZINC000001100328 567937230 /nfs/dbraw/zinc/93/72/30/567937230.db2.gz QWMLVIYPSOCADA-ZXOFLVKFSA-N 0 0 275.351 4.726 40 30 CJEBRN C[C@@H](/N=C/c1ccc2ccccc2c1O)c1ccccc1 ZINC000001100330 567937203 /nfs/dbraw/zinc/93/72/03/567937203.db2.gz QWMLVIYPSOCADA-GNUZOCDUSA-N 0 0 275.351 4.726 40 30 CJEBRN Cc1ccc(/N=C/c2cccn2-c2ccccc2)cc1 ZINC000001102940 567836233 /nfs/dbraw/zinc/83/62/33/567836233.db2.gz QBIRKYQYFCPFDB-XMHGGMMESA-N 0 0 260.340 4.536 40 30 CJEBRN C(=N/c1ccccc1)\c1nc(-c2ccccc2)n2ccccc12 ZINC000001448678 169706798 /nfs/dbraw/zinc/70/67/98/169706798.db2.gz VOXUKQVTBOXBII-RCCKNPSSSA-N 0 0 297.361 4.752 40 30 CJEBRN C=CCn1c(-c2ccccc2)csc1=Nc1ccccc1 ZINC000001466256 527227528 /nfs/dbraw/zinc/22/75/28/527227528.db2.gz ZCNSDQFTIOUUOI-UHFFFAOYSA-O 0 0 293.415 4.632 40 30 CJEBRN N#CC(Cc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000001555268 169712652 /nfs/dbraw/zinc/71/26/52/169712652.db2.gz NEBFPWDVSIBSNS-UHFFFAOYSA-N 0 0 283.374 4.739 40 30 CJEBRN CCCCCCCCSCc1ccc(N)cc1 ZINC000001558166 528132964 /nfs/dbraw/zinc/13/29/64/528132964.db2.gz MBKPEYNUYWQGKS-UHFFFAOYSA-N 0 0 251.439 4.863 40 30 CJEBRN C=CCCCCCCCCC(=O)OC1CCCC1 ZINC000001566581 527113521 /nfs/dbraw/zinc/11/35/21/527113521.db2.gz PEGRHIHUZFQGKX-UHFFFAOYSA-N 0 0 252.398 4.779 40 30 CJEBRN CCCCN(CCCC)/C(Cl)=N/c1ccccc1 ZINC000001567567 528397699 /nfs/dbraw/zinc/39/76/99/528397699.db2.gz NVOJPVOJWWNVAO-BMRADRMJSA-N 0 0 266.816 4.815 40 30 CJEBRN c1ccc(C[NH+]=C(c2ccccc2)c2ccccc2)cc1 ZINC000001570051 567838116 /nfs/dbraw/zinc/83/81/16/567838116.db2.gz SLKCGEBEEBTUFE-UHFFFAOYSA-N 0 0 271.363 4.724 40 30 CJEBRN CC(C)(C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000001570605 567838386 /nfs/dbraw/zinc/83/83/86/567838386.db2.gz STNYEQSXKXKGCA-FNORWQNLSA-N 0 0 257.160 4.622 40 30 CJEBRN CCCCC(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000001570607 567838274 /nfs/dbraw/zinc/83/82/74/567838274.db2.gz YAPGGSHECKFLDO-FNORWQNLSA-N 0 0 257.160 4.766 40 30 CJEBRN CCCCCCCOC(=O)c1ccc(C(C)C)cc1 ZINC000001570937 528134862 /nfs/dbraw/zinc/13/48/62/528134862.db2.gz NOUPFAHYTGCTCA-UHFFFAOYSA-N 0 0 262.393 4.937 40 30 CJEBRN CC[C@@H](C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000001571554 567838413 /nfs/dbraw/zinc/83/84/13/567838413.db2.gz OOFLEXQCPRWYGG-VPIOIWJLSA-N 0 0 257.160 4.622 40 30 CJEBRN CC[C@H](C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1 ZINC000001571556 567838257 /nfs/dbraw/zinc/83/82/57/567838257.db2.gz OOFLEXQCPRWYGG-IWGCBNPKSA-N 0 0 257.160 4.622 40 30 CJEBRN CC(C)C(=NC(C)(C)C)Nc1ccccc1Cl ZINC000001572374 567838387 /nfs/dbraw/zinc/83/83/87/567838387.db2.gz WXACHSLZJXRYNH-UHFFFAOYSA-N 0 0 252.789 4.605 40 30 CJEBRN C=C(Cl)C(=NC(C)(C)C)Nc1ccccc1Cl ZINC000001576216 567838372 /nfs/dbraw/zinc/83/83/72/567838372.db2.gz ZVTCQZVCXDJAJY-UHFFFAOYSA-N 0 0 271.191 4.511 40 30 CJEBRN CC[C@@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000001577861 567838254 /nfs/dbraw/zinc/83/82/54/567838254.db2.gz DYVQSJVLMSWWDO-RBUKOAKNSA-N 0 0 276.379 4.853 40 30 CJEBRN CC[C@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1ccccc1 ZINC000001577862 567838252 /nfs/dbraw/zinc/83/82/52/567838252.db2.gz DYVQSJVLMSWWDO-RTBURBONSA-N 0 0 276.379 4.853 40 30 CJEBRN CC[C@@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000001577863 567838409 /nfs/dbraw/zinc/83/84/09/567838409.db2.gz DYVQSJVLMSWWDO-OALUTQOASA-N 0 0 276.379 4.853 40 30 CJEBRN CC[C@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1ccccc1 ZINC000001577864 567838348 /nfs/dbraw/zinc/83/83/48/567838348.db2.gz DYVQSJVLMSWWDO-MOPGFXCFSA-N 0 0 276.379 4.853 40 30 CJEBRN C=CCOc1ccc(-c2ccccc2)cc1Br ZINC000001578074 566899601 /nfs/dbraw/zinc/89/96/01/566899601.db2.gz FFIRFOKSYAOTPM-UHFFFAOYSA-N 0 0 289.172 4.681 40 30 CJEBRN C=C[C@H](c1ccccc1)c1cc2c(cc1OCCC)OCO2 ZINC000001581579 566899591 /nfs/dbraw/zinc/89/95/91/566899591.db2.gz RWZWHRRVWGHSGA-OAHLLOKOSA-N 0 0 296.366 4.522 40 30 CJEBRN CCCCCCCCCOC(=O)c1ccc(OC)cc1 ZINC000001584037 520029579 /nfs/dbraw/zinc/02/95/79/520029579.db2.gz VJHRENOBIICHMY-UHFFFAOYSA-N 0 0 278.392 4.603 40 30 CJEBRN N#CCc1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2 ZINC000001584266 567838816 /nfs/dbraw/zinc/83/88/16/567838816.db2.gz NDRPMVLSDKJCQQ-UHFFFAOYSA-N 0 0 298.389 4.834 40 30 CJEBRN C=CCCCCCCCCC1OCC(C)(C)CO1 ZINC000001589798 527113372 /nfs/dbraw/zinc/11/33/72/527113372.db2.gz CBNVXWHCDOATSV-UHFFFAOYSA-N 0 0 254.414 4.692 40 30 CJEBRN C=CCCCCCCCCC1O[C@@H](C)C[C@H](C)O1 ZINC000001589801 527113070 /nfs/dbraw/zinc/11/30/70/527113070.db2.gz GPFFLZYFWLCZCA-GJZGRUSLSA-N 0 0 254.414 4.833 40 30 CJEBRN CN=C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001590054 567838662 /nfs/dbraw/zinc/83/86/62/567838662.db2.gz MJSYQEWTRBFUSN-UHFFFAOYSA-N 0 0 276.166 4.725 40 30 CJEBRN CCCCCCCCCCC1OCC(C)(C)CO1 ZINC000001590100 326794984 /nfs/dbraw/zinc/79/49/84/326794984.db2.gz HTSWXXBLLFQDKX-UHFFFAOYSA-N 0 0 256.430 4.916 40 30 CJEBRN C=C(c1ccc(OC)cc1)[C@@H](CC)c1ccc(OC)cc1 ZINC000001591086 169720433 /nfs/dbraw/zinc/72/04/33/169720433.db2.gz FSOCMCMBWWBSSE-LJQANCHMSA-N 0 0 282.383 4.911 40 30 CJEBRN CC(C)c1ccc([C@@H](C#N)[C@@H](C#N)c2ccccc2)cc1 ZINC000001597917 566993200 /nfs/dbraw/zinc/99/32/00/566993200.db2.gz BVDWOWVVIHXAFT-RBUKOAKNSA-N 0 0 274.367 4.725 40 30 CJEBRN CC(C)c1ccc([C@H](C#N)[C@@H](C#N)c2ccccc2)cc1 ZINC000001597918 566994706 /nfs/dbraw/zinc/99/47/06/566994706.db2.gz BVDWOWVVIHXAFT-OALUTQOASA-N 0 0 274.367 4.725 40 30 CJEBRN CC(C)c1ccc([C@@H](C#N)[C@H](C#N)c2ccccc2)cc1 ZINC000001597919 566993325 /nfs/dbraw/zinc/99/33/25/566993325.db2.gz BVDWOWVVIHXAFT-RTBURBONSA-N 0 0 274.367 4.725 40 30 CJEBRN CC(C)c1ccc([C@H](C#N)[C@H](C#N)c2ccccc2)cc1 ZINC000001597920 566993329 /nfs/dbraw/zinc/99/33/29/566993329.db2.gz BVDWOWVVIHXAFT-MOPGFXCFSA-N 0 0 274.367 4.725 40 30 CJEBRN CCCCCCCc1c(Cl)nc(Cl)nc1Cl ZINC000001598236 567937493 /nfs/dbraw/zinc/93/74/93/567937493.db2.gz NIOGDGYWVRUKRP-UHFFFAOYSA-N 0 0 281.614 4.950 40 30 CJEBRN N#C[C@@H](Nc1cccc2ccccc21)c1ccccc1 ZINC000001599066 169722314 /nfs/dbraw/zinc/72/23/14/169722314.db2.gz NHSHPIFTBCJELL-GOSISDBHSA-N 0 0 258.324 4.517 40 30 CJEBRN CCON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001600487 169722896 /nfs/dbraw/zinc/72/28/96/169722896.db2.gz BLUSMIRUWRRPGT-UHFFFAOYSA-N 0 0 294.181 4.782 40 30 CJEBRN C=C[C@](C)(CCC=C(C)C)OC(=O)Nc1ccccc1 ZINC000001600657 169722755 /nfs/dbraw/zinc/72/27/55/169722755.db2.gz HFIBRIBALVQYGS-QGZVFWFLSA-N 0 0 273.376 4.926 40 30 CJEBRN N#CC1(Cc2ccccc2)c2ccccc2-c2ccccc21 ZINC000001601598 169723328 /nfs/dbraw/zinc/72/33/28/169723328.db2.gz QCGWTDURFQPJBL-UHFFFAOYSA-N 0 0 281.358 4.719 40 30 CJEBRN Clc1cccc(/N=C/Nc2cccc(Cl)c2)c1 ZINC000001602993 567839364 /nfs/dbraw/zinc/83/93/64/567839364.db2.gz ANZFKYAQFSGBES-UHFFFAOYSA-N 0 0 265.143 4.765 40 30 CJEBRN C=CC1(NC(=O)c2ccccc2)CCC(C(C)(C)C)CC1 ZINC000001614470 566902540 /nfs/dbraw/zinc/90/25/40/566902540.db2.gz CRPVCOSJOCCCHR-UHFFFAOYSA-N 0 0 285.431 4.578 40 30 CJEBRN CCCCCCCC(=O)Oc1ccccc1Cl ZINC000001614649 260005981 /nfs/dbraw/zinc/00/59/81/260005981.db2.gz RQRIMGLIBRNVRC-UHFFFAOYSA-N 0 0 254.757 4.606 40 30 CJEBRN CCCCCCCC(=O)Oc1ccc(Cl)cc1 ZINC000001615175 260006025 /nfs/dbraw/zinc/00/60/25/260006025.db2.gz FSEXRXSPQYSFBC-UHFFFAOYSA-N 0 0 254.757 4.606 40 30 CJEBRN CCCCCCCC(=O)Oc1ccc(Br)cc1 ZINC000001615176 260005845 /nfs/dbraw/zinc/00/58/45/260005845.db2.gz PFUUOKCQTTUHFB-UHFFFAOYSA-N 0 0 299.208 4.715 40 30 CJEBRN O=C1CCCC/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000001620416 567839766 /nfs/dbraw/zinc/83/97/66/567839766.db2.gz FLTPMKGSZHZVQN-JXMROGBWSA-N 0 0 255.144 4.520 40 30 CJEBRN CCCCCCCCOC(=O)Cc1c[nH]c2ccccc12 ZINC000001621669 260006064 /nfs/dbraw/zinc/00/60/64/260006064.db2.gz KJJNHJDDJXRPBX-UHFFFAOYSA-N 0 0 287.403 4.614 40 30 CJEBRN CC(C)(C)C(=O)/C=C/c1ccc(-c2ccccc2)cc1 ZINC000001624839 567839575 /nfs/dbraw/zinc/83/95/75/567839575.db2.gz ALDISYCYJQZKBD-SDNWHVSQSA-N 0 0 264.368 4.982 40 30 CJEBRN C=CCCCCCCCCC(=O)N[C@H](C)C(C)(C)C ZINC000001627510 566903293 /nfs/dbraw/zinc/90/32/93/566903293.db2.gz AOXKSBOPELAEFR-OAHLLOKOSA-N 0 0 267.457 4.844 40 30 CJEBRN CC(C)=CCCc1c(C)ccc2c1C(=O)C(=O)C(C(C)C)=C2 ZINC000001630835 560183088 /nfs/dbraw/zinc/18/30/88/560183088.db2.gz FWJDKZSXXFWHPR-UHFFFAOYSA-N 0 0 296.410 4.699 40 30 biogenic,in-vitro CJEBRN N#C[C@@]1(c2ccccc2)CC1(c1ccccc1)c1ccccc1 ZINC000001632675 567840100 /nfs/dbraw/zinc/84/01/00/567840100.db2.gz HROUJOORCTVOME-OAQYLSRUSA-N 0 0 295.385 4.838 40 30 CJEBRN Cc1ccc([C@H](c2ccccc2)C(CC#N)CC#N)cc1 ZINC000001632892 566997233 /nfs/dbraw/zinc/99/72/33/566997233.db2.gz SNWKNVGMEDCTCZ-IBGZPJMESA-N 0 0 274.367 4.570 40 30 CJEBRN CCCCCCCCOC(=O)/C=C/c1ccc(OC)cc1 ZINC000001633886 267081091 /nfs/dbraw/zinc/08/10/91/267081091.db2.gz PCQLCJLFQGMYHD-SDNWHVSQSA-N 0 0 290.403 4.612 40 30 CJEBRN CCCCCCCNC(=O)Nc1cccc(Cl)c1C ZINC000001640267 567839996 /nfs/dbraw/zinc/83/99/96/567839996.db2.gz CYUGNKVBRHMZHJ-UHFFFAOYSA-N 0 0 282.815 4.740 40 30 CJEBRN Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=S)[nH]2)cc1 ZINC000001644480 570349143 /nfs/dbraw/zinc/34/91/43/570349143.db2.gz WXZMEJWVJQZWJT-UHFFFAOYSA-N 0 0 292.363 4.851 40 30 CJEBRN Cc1cccc(/C=C2\CCCc3ccccc3C2=O)c1 ZINC000001651013 567840053 /nfs/dbraw/zinc/84/00/53/567840053.db2.gz XZPQTNCICNGJBL-GHRIWEEISA-N 0 0 262.352 4.598 40 30 CJEBRN O=C1c2ccccc2CCC/C1=C/c1cccc(Cl)c1 ZINC000001651015 567840124 /nfs/dbraw/zinc/84/01/24/567840124.db2.gz CCYUZLMAXZQHRT-PTNGSMBKSA-N 0 0 282.770 4.943 40 30 CJEBRN N#Cc1ccccc1CCCCCCc1ccccc1C#N ZINC000001662371 566944393 /nfs/dbraw/zinc/94/43/93/566944393.db2.gz ZPKGSYPNSUXCHT-UHFFFAOYSA-N 0 0 288.394 4.776 40 30 CJEBRN C=C[C@H](c1nc2ccccc2s1)c1ccccc1 ZINC000001665333 566902567 /nfs/dbraw/zinc/90/25/67/566902567.db2.gz CCMCYELELNBQFV-ZDUSSCGKSA-N 0 0 251.354 4.614 40 30 CJEBRN CSC(=NC#N)Nc1cc2ccccc2c2ccccc12 ZINC000001667192 567840765 /nfs/dbraw/zinc/84/07/65/567840765.db2.gz XFOPLQJPKWQWRL-UHFFFAOYSA-N 0 0 291.379 4.605 40 30 CJEBRN CCCCCCCCC1OCC(CC)(CC)CO1 ZINC000001672386 567841074 /nfs/dbraw/zinc/84/10/74/567841074.db2.gz WBDKXWSOUOQZAE-UHFFFAOYSA-N 0 0 256.430 4.916 40 30 CJEBRN CCCCCCCCC1OCC(C)(CCC)CO1 ZINC000001672391 567841138 /nfs/dbraw/zinc/84/11/38/567841138.db2.gz FDZZGTYGUGBNGT-UHFFFAOYSA-N 0 0 256.430 4.916 40 30 CJEBRN CCCCCCCCC[C@H]1OCC(C)(C)[C@@H](C)O1 ZINC000001674911 567841144 /nfs/dbraw/zinc/84/11/44/567841144.db2.gz ASAZCBKJKQLHIR-CABCVRRESA-N 0 0 256.430 4.915 40 30 CJEBRN CCCCCCCCC[C@H]1OCC(C)(C)[C@H](C)O1 ZINC000001674913 567841011 /nfs/dbraw/zinc/84/10/11/567841011.db2.gz ASAZCBKJKQLHIR-GJZGRUSLSA-N 0 0 256.430 4.915 40 30 CJEBRN CCCCCCCCCC1OCC(C)(CC)CO1 ZINC000001675382 528122791 /nfs/dbraw/zinc/12/27/91/528122791.db2.gz YWNZHBNSUOWQKE-UHFFFAOYSA-N 0 0 256.430 4.916 40 30 CJEBRN CCCCCCCCCC1(C)OCC(C)(C)CO1 ZINC000001678020 567841295 /nfs/dbraw/zinc/84/12/95/567841295.db2.gz CDEGFWZGUKTXTK-UHFFFAOYSA-N 0 0 256.430 4.916 40 30 CJEBRN CCCCCCCCCOC(=O)C(Cl)(Cl)Cl ZINC000001685799 169742012 /nfs/dbraw/zinc/74/20/12/169742012.db2.gz KZFXYGVHWVJDHZ-UHFFFAOYSA-N 0 0 289.630 4.650 40 30 CJEBRN N#CC1(Nc2ccc(-c3ccccc3)cc2)CCCC1 ZINC000001686511 567841432 /nfs/dbraw/zinc/84/14/32/567841432.db2.gz MINURIOHPSGQIM-UHFFFAOYSA-N 0 0 262.356 4.602 40 30 CJEBRN C#CC(CC(C)C)(CC(C)C)OC(=O)Nc1ccccc1 ZINC000001687077 169741919 /nfs/dbraw/zinc/74/19/19/169741919.db2.gz DKCKRBOSHIWXJI-UHFFFAOYSA-N 0 0 287.403 4.699 40 30 CJEBRN CCCCCCCCCCCC(=O)N1CCCC1 ZINC000001690175 528123504 /nfs/dbraw/zinc/12/35/04/528123504.db2.gz UGVISXRNXOQBBY-UHFFFAOYSA-N 0 0 253.430 4.530 40 30 CJEBRN CCCCCCCCS[C@@H](O)C(Cl)(Cl)Cl ZINC000001690660 567841640 /nfs/dbraw/zinc/84/16/40/567841640.db2.gz UZLDVMQATAQSJN-SECBINFHSA-N 0 0 293.687 4.769 40 30 CJEBRN C=C(C)COc1c(C)c(C)c(OCC(C)C)c(C)c1C ZINC000001692801 169743669 /nfs/dbraw/zinc/74/36/69/169743669.db2.gz XGLAWFCOFBJHGQ-UHFFFAOYSA-N 0 0 276.420 4.910 40 30 CJEBRN CCCCCCCCCc1ccc(OC(C)=O)cc1 ZINC000001693246 567841789 /nfs/dbraw/zinc/84/17/89/567841789.db2.gz MVFMIAHEQSHOCH-UHFFFAOYSA-N 0 0 262.393 4.905 40 30 CJEBRN CCCCCCC[C@H](CC)C(=O)OCCC(C)C ZINC000001694452 169744262 /nfs/dbraw/zinc/74/42/62/169744262.db2.gz YJCJACLIXVJLSX-HNNXBMFYSA-N 0 0 256.430 4.962 40 30 CJEBRN CCCCCCCCCCOC(=O)c1ccccc1O ZINC000001696938 528126032 /nfs/dbraw/zinc/12/60/32/528126032.db2.gz DEFZNQKDYOBMGU-UHFFFAOYSA-N 0 0 278.392 4.690 40 30 CJEBRN C=C[C@](C)(CC/C=C(\C)CCC=C(C)C)OC(C)=O ZINC000001697412 566902681 /nfs/dbraw/zinc/90/26/81/566902681.db2.gz PRNJXUQTUSFYLV-OKACTXMXSA-N 0 0 264.409 4.967 40 30 endogenous,in-man CJEBRN C=C[C@@](C)(CC/C=C(\C)CCC=C(C)C)OC(C)=O ZINC000001697415 566901284 /nfs/dbraw/zinc/90/12/84/566901284.db2.gz PRNJXUQTUSFYLV-VMEIHUARSA-N 0 0 264.409 4.967 40 30 endogenous,in-man CJEBRN Cc1ccccc1/C=N/N=C1c2ccccc2-c2ccccc21 ZINC000001710132 169747598 /nfs/dbraw/zinc/74/75/98/169747598.db2.gz CBYWWSSDSQXUQV-HYARGMPZSA-N 0 0 296.373 4.847 40 30 CJEBRN CCCCCCC[C@@H](CC(=O)OCC)C(C)(C)C ZINC000001720174 169750195 /nfs/dbraw/zinc/75/01/95/169750195.db2.gz CGJHAZROYNDERC-AWEZNQCLSA-N 0 0 256.430 4.962 40 30 CJEBRN Cc1[nH]c2ccccc2c1/C=C1\CCc2ccccc2C1=O ZINC000001722656 567842615 /nfs/dbraw/zinc/84/26/15/567842615.db2.gz KYGXAMONAKTHDM-NTCAYCPXSA-N 0 0 287.362 4.689 40 30 CJEBRN Cc1[nH]c2ccccc2c1/C=C1\CCCCCCC1=O ZINC000001722661 567842435 /nfs/dbraw/zinc/84/24/35/567842435.db2.gz MCGILBLYGCIEEC-WYMLVPIESA-N 0 0 267.372 4.783 40 30 CJEBRN N#Cc1ccc(CN(Nc2ccccc2)c2ccccc2)cc1 ZINC000001723178 570349490 /nfs/dbraw/zinc/34/94/90/570349490.db2.gz ZTYYHJACKMBDSJ-UHFFFAOYSA-N 0 0 299.377 4.592 40 30 CJEBRN CCCCCCCCNc1ccc(C(=O)OCC)cc1 ZINC000001723605 570383897 /nfs/dbraw/zinc/38/38/97/570383897.db2.gz CYTUNEIXWQUYDZ-UHFFFAOYSA-N 0 0 277.408 4.636 40 30 CJEBRN Fc1ccc(N=C2c3ccccc3-c3ccccc32)cc1 ZINC000001724450 169750761 /nfs/dbraw/zinc/75/07/61/169750761.db2.gz TUZOHOBNSLGHLB-UHFFFAOYSA-N 0 0 273.310 4.975 40 30 CJEBRN Oc1ccc(N=C2c3ccccc3-c3ccccc32)cc1 ZINC000001724451 566998860 /nfs/dbraw/zinc/99/88/60/566998860.db2.gz CKUBBTKMOMUNJL-UHFFFAOYSA-N 0 0 271.319 4.542 40 30 CJEBRN C(#CSCc1ccccc1)SCc1ccccc1 ZINC000001725647 169751144 /nfs/dbraw/zinc/75/11/44/169751144.db2.gz OPNRNXVGEVXHPQ-UHFFFAOYSA-N 0 0 270.422 4.772 40 30 CJEBRN CCCCCCC(=O)/C=C/c1ccccc1Cl ZINC000001725840 519948235 /nfs/dbraw/zinc/94/82/35/519948235.db2.gz HBVVTEYMQYVCTF-VAWYXSNFSA-N 0 0 250.769 4.893 40 30 CJEBRN CCCCCCC(=O)/C=C/c1ccc(Cl)cc1 ZINC000001727167 519947799 /nfs/dbraw/zinc/94/77/99/519947799.db2.gz ORNMBQVPJJQBDC-FMIVXFBMSA-N 0 0 250.769 4.893 40 30 CJEBRN Cc1cc(CC#N)c(C)c2[nH]c3c(c21)CCc1ccccc1-3 ZINC000001731572 169752119 /nfs/dbraw/zinc/75/21/19/169752119.db2.gz UKDJQSWRMQQDNS-UHFFFAOYSA-N 0 0 286.378 4.616 40 30 CJEBRN CCCCCCCCCC(=O)N1[C@H](C)CC[C@@H]1C ZINC000001732490 519975715 /nfs/dbraw/zinc/97/57/15/519975715.db2.gz FWZPHYNJHPLTAO-GASCZTMLSA-N 0 0 253.430 4.527 40 30 CJEBRN CCCCCCCCCC(=O)N1[C@@H](C)CC[C@@H]1C ZINC000001732491 519975356 /nfs/dbraw/zinc/97/53/56/519975356.db2.gz FWZPHYNJHPLTAO-GJZGRUSLSA-N 0 0 253.430 4.527 40 30 CJEBRN CCCCCCCCCC(=O)N1[C@H](C)CC[C@H]1C ZINC000001732492 519974623 /nfs/dbraw/zinc/97/46/23/519974623.db2.gz FWZPHYNJHPLTAO-HUUCEWRRSA-N 0 0 253.430 4.527 40 30 CJEBRN CCCCCCCCCC(=O)N(C(C)C)C(C)C ZINC000001733534 567842841 /nfs/dbraw/zinc/84/28/41/567842841.db2.gz XAKJXYTZPJVFFM-UHFFFAOYSA-N 0 0 255.446 4.773 40 30 CJEBRN CCCCCCCCC(=O)N(CC(C)C)CC(C)C ZINC000001733537 169752293 /nfs/dbraw/zinc/75/22/93/169752293.db2.gz LPRUTIRRDJECSN-UHFFFAOYSA-N 0 0 269.473 4.878 40 30 CJEBRN CCc1ccc(OC/C=C(/C)CC[C@@H]2O[C@]2(C)CC)cc1 ZINC000001733553 567842938 /nfs/dbraw/zinc/84/29/38/567842938.db2.gz VAYPLBGNZPCLCF-GCAXBUKTSA-N 0 0 288.431 4.922 40 30 CJEBRN C/C=C/C=C/COC(=O)CCCCCCCCC ZINC000001734237 567842815 /nfs/dbraw/zinc/84/28/15/567842815.db2.gz RIAFYJJDDNQGRL-HDZFOZLDSA-N 0 0 252.398 4.803 40 30 CJEBRN COc1ccc(N=C(c2ccccc2)c2ccccc2)cc1 ZINC000001734567 567842726 /nfs/dbraw/zinc/84/27/26/567842726.db2.gz AOYNFODYHKOEKG-UHFFFAOYSA-N 0 0 287.362 4.864 40 30 CJEBRN N#CC1(Nc2ccc3c4c(cccc42)CC3)CCCCC1 ZINC000001735762 567842872 /nfs/dbraw/zinc/84/28/72/567842872.db2.gz JULVCARYDTUARG-UHFFFAOYSA-N 0 0 276.383 4.577 40 30 CJEBRN C=CCSC(=S)SCc1cccc(Cl)c1 ZINC000001737649 566901728 /nfs/dbraw/zinc/90/17/28/566901728.db2.gz GPHNNBSNSPMINX-UHFFFAOYSA-N 0 0 274.863 4.777 40 30 CJEBRN CC1(C)C/C(=C/c2ccccc2)C(=O)c2ccccc21 ZINC000001744765 567843221 /nfs/dbraw/zinc/84/32/21/567843221.db2.gz QWWUWPNHRLBCLZ-QINSGFPZSA-N 0 0 262.352 4.634 40 30 CJEBRN Cc1ccc(/C=C2/CC(C)(C)c3ccccc3C2=O)cc1 ZINC000001744871 567843205 /nfs/dbraw/zinc/84/32/05/567843205.db2.gz LZFXDOXTDGACEK-VBKFSLOCSA-N 0 0 276.379 4.943 40 30 CJEBRN Cc1ccccc1/C=C1\CC(C)(C)c2ccccc2C1=O ZINC000001754587 525040607 /nfs/dbraw/zinc/04/06/07/525040607.db2.gz QFHHLCHJUOZYPM-FOWTUZBSSA-N 0 0 276.379 4.943 40 30 CJEBRN CC(=O)/C=C\c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000001758708 567843225 /nfs/dbraw/zinc/84/32/25/567843225.db2.gz ALIFOKAJBCPWND-SREVYHEPSA-N 0 0 256.389 4.638 40 30 CJEBRN CCCCCCCCCCOC(=O)c1ccc(OC)cc1 ZINC000001848595 567843840 /nfs/dbraw/zinc/84/38/40/567843840.db2.gz BENWKHCLHKJAMG-UHFFFAOYSA-N 0 0 292.419 4.993 40 30 CJEBRN C#CCOC(=O)/C=C(C)/C=C/C[C@H](C)CCCC(C)C ZINC000001850434 169759805 /nfs/dbraw/zinc/75/98/05/169759805.db2.gz FZRBKIRIBLNOAM-DVAVMXAFSA-N 0 0 276.420 4.518 40 30 in-vitro CJEBRN C=C(C)CCC[C@H](C)CCOC(=O)Cc1ccccc1 ZINC000001850726 574411597 /nfs/dbraw/zinc/41/15/97/574411597.db2.gz SKZDJVXLRPCFQC-INIZCTEOSA-N 0 0 274.404 4.545 40 30 endogenous,in-man CJEBRN CCCCCCCCCCCCSC(N)=S ZINC000001865455 567843841 /nfs/dbraw/zinc/84/38/41/567843841.db2.gz OFFDBKDOQPHOJJ-UHFFFAOYSA-N 0 0 261.500 4.884 40 30 CJEBRN c1ccc([C@@H]2OC2(c2ccccc2)c2ccccc2)cc1 ZINC000001873164 570214465 /nfs/dbraw/zinc/21/44/65/570214465.db2.gz LJYNYLMLKGMXCC-IBGZPJMESA-N 0 0 272.347 4.702 40 30 CJEBRN CCCCCCCCOc1ccc(N)cc1Cl ZINC000002019466 567937615 /nfs/dbraw/zinc/93/76/15/567937615.db2.gz OXSWUIWWQVACTN-UHFFFAOYSA-N 0 0 255.789 4.662 40 30 CJEBRN CCCCCCCOC(=O)Nc1ccc(OCC)cc1 ZINC000002022565 567844110 /nfs/dbraw/zinc/84/41/10/567844110.db2.gz CUYPTUXUEPKQFW-UHFFFAOYSA-N 0 0 279.380 4.604 40 30 CJEBRN CCCCCCCCOC(=O)Nc1ccc(OCC)cc1 ZINC000002022575 567844019 /nfs/dbraw/zinc/84/40/19/567844019.db2.gz DLJUSNYZHSUOIX-UHFFFAOYSA-N 0 0 293.407 4.994 40 30 CJEBRN CCCCCCC[C@@H](CC)C(=O)OCCC(C)C ZINC000002043585 567844450 /nfs/dbraw/zinc/84/44/50/567844450.db2.gz YJCJACLIXVJLSX-OAHLLOKOSA-N 0 0 256.430 4.962 40 30 CJEBRN CCCCCCCCS[C@H](O)C(Cl)(Cl)Cl ZINC000002044091 567844302 /nfs/dbraw/zinc/84/43/02/567844302.db2.gz UZLDVMQATAQSJN-VIFPVBQESA-N 0 0 293.687 4.769 40 30 CJEBRN C=C[C@@H](c1nc2ccccc2s1)c1ccccc1 ZINC000002048380 566902235 /nfs/dbraw/zinc/90/22/35/566902235.db2.gz CCMCYELELNBQFV-CYBMUJFWSA-N 0 0 251.354 4.614 40 30 CJEBRN Cc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1 ZINC000002147390 169776683 /nfs/dbraw/zinc/77/66/83/169776683.db2.gz WHWYHNGBWSRPOH-VXLYETTFSA-N 0 0 263.262 4.764 40 30 CJEBRN Fc1ccc(/C=N/c2cccc(Cl)c2Cl)cc1 ZINC000002147442 169777008 /nfs/dbraw/zinc/77/70/08/169777008.db2.gz FJIJNRYQNRGZMQ-CAOOACKPSA-N 0 0 268.118 4.883 40 30 CJEBRN O=[N+]([O-])c1cccc(/C=N\c2cccc(Cl)c2Cl)c1 ZINC000002164843 567844741 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260.421 4.930 40 30 CJEBRN COc1ccc(/N=C(C)/C(C)=N\c2ccc(OC)cc2)cc1 ZINC000015230315 567870530 /nfs/dbraw/zinc/87/05/30/567870530.db2.gz LMEYMDPIGMZWSV-LRVMPXQBSA-N 0 0 296.370 4.589 40 30 CJEBRN CS/C(=N\C#N)Sc1ccccc1Cc1ccccc1 ZINC000015444434 170667245 /nfs/dbraw/zinc/66/72/45/170667245.db2.gz HNOHVDCKDWGKAE-FBMGVBCBSA-N 0 0 298.436 4.570 40 30 CJEBRN C=CCCCCCCCCC(=O)N1CCC(C)CC1 ZINC000015784337 570253803 /nfs/dbraw/zinc/25/38/03/570253803.db2.gz ZDKGRZKENCJUAC-UHFFFAOYSA-N 0 0 265.441 4.552 40 30 CJEBRN C/C(=N/N=C(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000016136554 170688358 /nfs/dbraw/zinc/68/83/58/170688358.db2.gz KLBIPZQQFBIOCU-XLNRJJMWSA-N 0 0 298.389 4.948 40 30 CJEBRN CC(CC=Cc1ccccc1)N=Nc1ccccc1 ZINC000016137198 567872193 /nfs/dbraw/zinc/87/21/93/567872193.db2.gz FXFRKROXJLRPEN-NOMCZCQPSA-N 0 0 250.345 4.578 40 30 CJEBRN C=CCN(C(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000016138294 170688366 /nfs/dbraw/zinc/68/83/66/170688366.db2.gz PQAYYEONLZVNNW-UHFFFAOYSA-N 0 0 286.762 4.565 40 30 CJEBRN C=CCN(C(=O)Nc1ccccc1Cl)c1ccccc1 ZINC000016138300 566897315 /nfs/dbraw/zinc/89/73/15/566897315.db2.gz YHYNKZQGICMECE-UHFFFAOYSA-N 0 0 286.762 4.565 40 30 CJEBRN N#Cc1c(O)cc(-c2ccc(Cl)cc2)cc1C(F)(F)F ZINC000016158673 566935564 /nfs/dbraw/zinc/93/55/64/566935564.db2.gz JTJAFFNQUGGOQN-UHFFFAOYSA-N 0 0 297.663 4.603 40 30 CJEBRN CCc1ccc(C(=O)C=CNc2ccc(Cl)cc2)cc1 ZINC000016161456 567872155 /nfs/dbraw/zinc/87/21/55/567872155.db2.gz MSOYHSXGVDIOPB-QXMHVHEDSA-N 0 0 285.774 4.711 40 30 CJEBRN CSc1nc(-c2ccc(Cl)c(Cl)c2)ccc1C#N ZINC000016248721 566938508 /nfs/dbraw/zinc/93/85/08/566938508.db2.gz LTFNCAQQJQGAFS-UHFFFAOYSA-N 0 0 295.194 4.649 40 30 CJEBRN Cc1cc(O/C=C/C(=O)c2ccc(F)cc2)ccc1Cl ZINC000016282286 567872420 /nfs/dbraw/zinc/87/24/20/567872420.db2.gz ODWACLOJKWUGOR-CMDGGOBGSA-N 0 0 290.721 4.563 40 30 CJEBRN COc1ccc(/N=C/C=C(\Cl)c2ccc(C)cc2)cc1 ZINC000016291452 170692694 /nfs/dbraw/zinc/69/26/94/170692694.db2.gz CBODCKNIJPXFPW-SVCOWJGFSA-N 0 0 285.774 4.986 40 30 CJEBRN Cc1ccc(C(=O)/C=C/Oc2cccc3ccccc32)cc1 ZINC000016291694 567872430 /nfs/dbraw/zinc/87/24/30/567872430.db2.gz RAZRRXCOBYVAEA-BUHFOSPRSA-N 0 0 288.346 4.924 40 30 CJEBRN Cc1ccc(C(=O)C=CNc2ccc(C)c(Cl)c2)cc1 ZINC000016291717 567872569 /nfs/dbraw/zinc/87/25/69/567872569.db2.gz JORHKRFQYRPHSV-KTKRTIGZSA-N 0 0 285.774 4.765 40 30 CJEBRN Cc1ccc(C(=O)C=CNc2ccc(Cl)cc2F)cc1 ZINC000016291722 170692577 /nfs/dbraw/zinc/69/25/77/170692577.db2.gz UGTTZIKZYFMBDP-HJWRWDBZSA-N 0 0 289.737 4.596 40 30 CJEBRN C/N=C(\SC)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000016322992 567872760 /nfs/dbraw/zinc/87/27/60/567872760.db2.gz AABDABAMYMEADG-SDXDJHTJSA-N 0 0 293.476 4.727 40 30 CJEBRN Cc1ccc(Cl)cc1/N=C\c1cc(Cl)ccc1O ZINC000016347250 567872540 /nfs/dbraw/zinc/87/25/40/567872540.db2.gz IJOAWNJWIIGKAO-IUXPMGMMSA-N 0 0 280.154 4.758 40 30 CJEBRN Cc1cccc(C(=O)C=CNc2ccc(C)c(Cl)c2)c1 ZINC000016349029 567872426 /nfs/dbraw/zinc/87/24/26/567872426.db2.gz IERVYQFPWQCINA-HJWRWDBZSA-N 0 0 285.774 4.765 40 30 CJEBRN N#Cc1ccc(CSCc2ccc(Cl)cc2)cc1 ZINC000016401868 566952399 /nfs/dbraw/zinc/95/23/99/566952399.db2.gz WDFRBIKJQKUQGN-UHFFFAOYSA-N 0 0 273.788 4.645 40 30 CJEBRN O=C(C=CNc1ccc(Cl)cc1Cl)c1cccs1 ZINC000016430473 170697179 /nfs/dbraw/zinc/69/71/79/170697179.db2.gz RAPISYYLEPEGOY-WAYWQWQTSA-N 0 0 298.194 4.863 40 30 CJEBRN O=C(C=CNc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000016451248 567873037 /nfs/dbraw/zinc/87/30/37/567873037.db2.gz AYJSGMNMVYNOAM-HJWRWDBZSA-N 0 0 292.165 4.802 40 30 CJEBRN C(=N/N(c1ccccc1)c1ccccc1)\c1cccs1 ZINC000016487973 260099506 /nfs/dbraw/zinc/09/95/06/260099506.db2.gz QIOIMKMZPPBYCP-NBVRZTHBSA-N 0 0 278.380 4.920 40 30 CJEBRN O=C1CCCCC1=CNc1ccc(Nc2ccccc2)cc1 ZINC000016490513 570353464 /nfs/dbraw/zinc/35/34/64/570353464.db2.gz AFRJVKQLPOTTEC-CCEZHUSRSA-N 0 0 292.382 4.869 40 30 CJEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1c(C)cccc1C)C2 ZINC000016527374 567944326 /nfs/dbraw/zinc/94/43/26/567944326.db2.gz RQYVEQYHMWXSFR-KXBFYZLASA-N 0 0 283.415 4.624 40 30 CJEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1c(C)cccc1C)C2 ZINC000016527375 170701360 /nfs/dbraw/zinc/70/13/60/170701360.db2.gz RQYVEQYHMWXSFR-DNVCBOLYSA-N 0 0 283.415 4.624 40 30 CJEBRN O=C(/C=C/Oc1cccc2ccccc21)c1ccc(F)cc1 ZINC000016545055 567872895 /nfs/dbraw/zinc/87/28/95/567872895.db2.gz ICEUVCIWBOFLQK-OUKQBFOZSA-N 0 0 292.309 4.754 40 30 CJEBRN C=C(C)CNC(=S)Nc1ccc(CCCCCC)cc1 ZINC000016638440 566896624 /nfs/dbraw/zinc/89/66/24/566896624.db2.gz APYSLJSEQXEDBE-UHFFFAOYSA-N 0 0 290.476 4.672 40 30 CJEBRN Cc1ccc(/N=C\c2c(O)ccc3ccccc32)cc1C ZINC000016663082 567873310 /nfs/dbraw/zinc/87/33/10/567873310.db2.gz OWBGHJAGTCDGDC-NDENLUEZSA-N 0 0 275.351 4.913 40 30 CJEBRN CCc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)s1 ZINC000016740909 567909101 /nfs/dbraw/zinc/90/91/01/567909101.db2.gz XZTBYEWGDCXGNS-WEVVVXLNSA-N 0 0 276.788 4.860 40 30 CJEBRN COc1cccc(/C=C\C(=O)/C=C\C=C/c2ccccc2)c1 ZINC000016892217 567873687 /nfs/dbraw/zinc/87/36/87/567873687.db2.gz MEUQJGNPLMXOPR-UTKLSTHASA-N 0 0 290.362 4.547 40 30 CJEBRN COc1cccc(/C=C\C(=O)/C=C/C=C\c2ccccc2)c1 ZINC000016892221 533387727 /nfs/dbraw/zinc/38/77/27/533387727.db2.gz MEUQJGNPLMXOPR-XTZZIRBESA-N 0 0 290.362 4.547 40 30 CJEBRN S=c1sc2ccccc2n1/C=N/c1ccccc1 ZINC000016892233 567873725 /nfs/dbraw/zinc/87/37/25/567873725.db2.gz UYSKVWNAIAHCKK-XNTDXEJSSA-N 0 0 270.382 4.640 40 30 CJEBRN C[C@@H]1C/C(=C\c2ccccc2)C(=O)/C1=C/c1ccccc1 ZINC000016920096 567874304 /nfs/dbraw/zinc/87/43/04/567874304.db2.gz UXKDFKBXAPVURZ-GWSAQIJISA-N 0 0 274.363 4.763 40 30 CJEBRN C[C@@H]1C/C(=C/c2ccccc2)C(=O)/C1=C/c1ccccc1 ZINC000016920101 567874344 /nfs/dbraw/zinc/87/43/44/567874344.db2.gz UXKDFKBXAPVURZ-IPARKIBGSA-N 0 0 274.363 4.763 40 30 CJEBRN Cc1ccccc1/C=N\N=C1c2ccccc2-c2ccccc21 ZINC000016920953 567874153 /nfs/dbraw/zinc/87/41/53/567874153.db2.gz CBYWWSSDSQXUQV-HMAPJEAMSA-N 0 0 296.373 4.847 40 30 CJEBRN C/C(=N\N=C(\C)c1ccc(C)cc1)c1ccc(C)cc1 ZINC000016923775 567874141 /nfs/dbraw/zinc/87/41/41/567874141.db2.gz JVDVHQDNGONESM-VBGLAJCLSA-N 0 0 264.372 4.537 40 30 CJEBRN Cc1cccc2c(N=[N+]=[N-])cc(C(F)(F)F)nc12 ZINC000016930407 567874128 /nfs/dbraw/zinc/87/41/28/567874128.db2.gz INPCHWNNEFWBCZ-UHFFFAOYSA-N 0 0 252.199 4.504 40 30 CJEBRN ON(/C(=N/C1CCCCC1)c1ccccc1)c1ccccc1 ZINC000016931719 567874219 /nfs/dbraw/zinc/87/42/19/567874219.db2.gz CSMBRCDNLAFNPE-FMQUCBEESA-N 0 0 294.398 4.662 40 30 CJEBRN CCCCOc1ccc2nc(C)cc(N=[N+]=[N-])c2c1 ZINC000016942250 567874294 /nfs/dbraw/zinc/87/42/94/567874294.db2.gz AYVTWQOJISWIDO-UHFFFAOYSA-N 0 0 256.309 4.664 40 30 CJEBRN COc1ccc2nc(-c3ccccc3)cc(N=[N+]=[N-])c2c1 ZINC000016942297 533342174 /nfs/dbraw/zinc/34/21/74/533342174.db2.gz WQKUKUQTFFKVRI-UHFFFAOYSA-N 0 0 276.299 4.852 40 30 CJEBRN [N-]=[N+]=Nc1cc(-c2ccccc2)nc2cc3c(cc12)OCO3 ZINC000016942301 534461206 /nfs/dbraw/zinc/46/12/06/534461206.db2.gz OMRSKVRCJLSBPC-UHFFFAOYSA-N 0 0 290.282 4.572 40 30 CJEBRN CCC(=CCc1ccccc1)N=Nc1ccccc1 ZINC000016942817 528276552 /nfs/dbraw/zinc/27/65/52/528276552.db2.gz KARJIOPZHGAXLD-FSWMMFABSA-N 0 0 250.345 4.578 40 30 CJEBRN CCC(=CCc1ccccc1)N=Nc1ccc(C)cc1 ZINC000016942832 528276722 /nfs/dbraw/zinc/27/67/22/528276722.db2.gz HWAMKKWDCYOCFE-YWUXTCLMSA-N 0 0 264.372 4.886 40 30 CJEBRN C(=C\Cc1ccccc1)\C=N/N=C\C=C/Cc1ccccc1 ZINC000016951263 527470593 /nfs/dbraw/zinc/47/05/93/527470593.db2.gz UEZPWQLMSIKLID-YUPSQLRHSA-N 0 0 288.394 4.641 40 30 CJEBRN C(=C/Cc1ccccc1)\C=N/N=C\C=C/Cc1ccccc1 ZINC000016951264 527465810 /nfs/dbraw/zinc/46/58/10/527465810.db2.gz UEZPWQLMSIKLID-FBOSBHMGSA-N 0 0 288.394 4.641 40 30 CJEBRN C(=C/Cc1ccccc1)\C=N\N=C/C=C\Cc1ccccc1 ZINC000016951266 527465677 /nfs/dbraw/zinc/46/56/77/527465677.db2.gz UEZPWQLMSIKLID-NMBRAJROSA-N 0 0 288.394 4.641 40 30 CJEBRN C(=N/c1cnc2ccccc2c1)\c1ccnc2ccccc12 ZINC000016951955 567874302 /nfs/dbraw/zinc/87/43/02/567874302.db2.gz WETUSGAPMLZOGZ-CIAFOILYSA-N 0 0 283.334 4.534 40 30 CJEBRN CCC(=CCc1ccc(OC)cc1)N=Nc1ccccc1 ZINC000016952084 567874106 /nfs/dbraw/zinc/87/41/06/567874106.db2.gz BDFAOTOUTQXGMK-LNGMRNOVSA-N 0 0 280.371 4.587 40 30 CJEBRN Cc1[nH]c2ccccc2c1/C=C1/CCc2ccccc2C1=O ZINC000016953074 567874051 /nfs/dbraw/zinc/87/40/51/567874051.db2.gz KYGXAMONAKTHDM-QINSGFPZSA-N 0 0 287.362 4.689 40 30 CJEBRN Cc1[nH]c2ccccc2c1/C=C1/CCCCCCC1=O ZINC000016953075 567874035 /nfs/dbraw/zinc/87/40/35/567874035.db2.gz MCGILBLYGCIEEC-OWBHPGMISA-N 0 0 267.372 4.783 40 30 CJEBRN O[C@H](/C(=N/c1ccccc1)c1ccccc1)c1ccccc1 ZINC000016953644 567934397 /nfs/dbraw/zinc/93/43/97/567934397.db2.gz ZHTOXPUFUPXHPZ-NHFXJNLRSA-N 0 0 287.362 4.541 40 30 CJEBRN C=C(C=C(C[S@@](C)=O)c1ccccc1)c1ccccc1 ZINC000016953990 566895989 /nfs/dbraw/zinc/89/59/89/566895989.db2.gz OBYGVJXQUSORIV-BXWQOUMASA-N 0 0 282.408 4.510 40 30 CJEBRN C=C(C=C(C[S@](C)=O)c1ccccc1)c1ccccc1 ZINC000016953991 566896992 /nfs/dbraw/zinc/89/69/92/566896992.db2.gz OBYGVJXQUSORIV-BKHFDQEPSA-N 0 0 282.408 4.510 40 30 CJEBRN COc1ccc(C(=O)/C=C\c2ccc(C(C)C)cc2)cc1 ZINC000016954457 567874267 /nfs/dbraw/zinc/87/42/67/567874267.db2.gz RIBGEHPYSFDRPI-MLPAPPSSSA-N 0 0 280.367 4.715 40 30 CJEBRN CCCCCCC(=O)/C=C\c1ccccc1Cl ZINC000016954841 528114111 /nfs/dbraw/zinc/11/41/11/528114111.db2.gz HBVVTEYMQYVCTF-QXMHVHEDSA-N 0 0 250.769 4.893 40 30 CJEBRN CCCCCCC(=O)/C=C\c1ccc(Cl)cc1 ZINC000016955362 528114363 /nfs/dbraw/zinc/11/43/63/528114363.db2.gz ORNMBQVPJJQBDC-XFXZXTDPSA-N 0 0 250.769 4.893 40 30 CJEBRN c1csc(C(=NNc2ccccc2)c2ccccc2)c1 ZINC000016956047 567874171 /nfs/dbraw/zinc/87/41/71/567874171.db2.gz UQGWGIVTLZIFDE-ZPHPHTNESA-N 0 0 278.380 4.613 40 30 CJEBRN O=C(/C=C/c1cccc2ccccc12)c1ccc(F)cc1 ZINC000016957375 567874319 /nfs/dbraw/zinc/87/43/19/567874319.db2.gz VSYDYSJJUIIIPF-JLHYYAGUSA-N 0 0 276.310 4.875 40 30 CJEBRN Cc1cccc(/C=C2/CCCc3ccccc3C2=O)c1 ZINC000016958927 570225443 /nfs/dbraw/zinc/22/54/43/570225443.db2.gz XZPQTNCICNGJBL-LGMDPLHJSA-N 0 0 262.352 4.598 40 30 CJEBRN CC(=O)/C=C/c1ccc2c(c1)C(C)(C)CCC2(C)C ZINC000016968884 570225410 /nfs/dbraw/zinc/22/54/10/570225410.db2.gz ALIFOKAJBCPWND-VOTSOKGWSA-N 0 0 256.389 4.638 40 30 CJEBRN C=CCCCCCCCCC1O[C@H](C)C[C@H](C)O1 ZINC000016969653 527113197 /nfs/dbraw/zinc/11/31/97/527113197.db2.gz GPFFLZYFWLCZCA-XYPWUTKMSA-N 0 0 254.414 4.833 40 30 CJEBRN Cc1ccc(/C=C2\CC(C)(C)c3ccccc3C2=O)cc1 ZINC000016973053 570225494 /nfs/dbraw/zinc/22/54/94/570225494.db2.gz LZFXDOXTDGACEK-FOWTUZBSSA-N 0 0 276.379 4.943 40 30 CJEBRN Cc1ccccc1/C=C1/CC(C)(C)c2ccccc2C1=O ZINC000016973557 570225534 /nfs/dbraw/zinc/22/55/34/570225534.db2.gz QFHHLCHJUOZYPM-VBKFSLOCSA-N 0 0 276.379 4.943 40 30 CJEBRN CSc1ccc(/N=C/C=C\c2ccccc2)cc1 ZINC000016980046 570225876 /nfs/dbraw/zinc/22/58/76/570225876.db2.gz NOPRFMXZPWEAIX-KERZFVRCSA-N 0 0 253.370 4.824 40 30 CJEBRN Cc1cc(C)c(C(=O)/C=C\c2ccccc2)c(C)c1 ZINC000017002058 567934684 /nfs/dbraw/zinc/93/46/84/567934684.db2.gz FLJAEHNSTVEODG-KTKRTIGZSA-N 0 0 250.341 4.508 40 30 CJEBRN CC(=NNc1ccccc1)c1ccc2ccccc2c1 ZINC000017003507 566896496 /nfs/dbraw/zinc/89/64/96/566896496.db2.gz FMLSEYCZCCRUHX-XMHGGMMESA-N 0 0 260.340 4.676 40 30 CJEBRN O=C(/C(=N/c1ccccc1)c1ccccc1)c1ccccc1 ZINC000017004177 570226352 /nfs/dbraw/zinc/22/63/52/570226352.db2.gz WTZNNBFUSZQZEX-XUTLUUPISA-N 0 0 285.346 4.690 40 30 CJEBRN Cc1cccc(/C=C/C(=O)c2ccc(Cl)cc2)c1 ZINC000017005192 566898004 /nfs/dbraw/zinc/89/80/04/566898004.db2.gz GTYAXENHVWQUET-BJMVGYQFSA-N 0 0 256.732 4.545 40 30 CJEBRN CC/C(=N\N=C(/CC)c1cccs1)c1cccs1 ZINC000017013867 567874584 /nfs/dbraw/zinc/87/45/84/567874584.db2.gz KATDZDZDLBMRSM-JOBJLJCHSA-N 0 0 276.430 4.823 40 30 CJEBRN Cc1ccc([C@@H](c2ccccc2)C(CC#N)CC#N)cc1 ZINC000017014754 170721195 /nfs/dbraw/zinc/72/11/95/170721195.db2.gz SNWKNVGMEDCTCZ-LJQANCHMSA-N 0 0 274.367 4.570 40 30 CJEBRN CCCCC/C(=N/N)c1ccc2cc3c(cc2c1)CCCC3 ZINC000017020364 567874509 /nfs/dbraw/zinc/87/45/09/567874509.db2.gz XEKHLIOBKSTVIG-XDOYNYLZSA-N 0 0 294.442 4.962 40 30 CJEBRN SC1c2cc(Cl)ccc2-c2ccc(Cl)cc21 ZINC000017021229 170721565 /nfs/dbraw/zinc/72/15/65/170721565.db2.gz MCQJIAMHSRYEJZ-UHFFFAOYSA-N 0 0 267.180 4.993 40 30 CJEBRN Cc1ccc(S/N=C\c2c(O)ccc3ccccc32)cc1 ZINC000017021635 567874444 /nfs/dbraw/zinc/87/44/44/567874444.db2.gz SFUAIBHPGDRCFL-UNOMPAQXSA-N 0 0 293.391 4.980 40 30 CJEBRN COc1ccc(C(=O)/C=C\c2cccc3ccccc23)cc1 ZINC000017023079 170722067 /nfs/dbraw/zinc/72/20/67/170722067.db2.gz QUCMFZOJKRASJO-KAMYIIQDSA-N 0 0 288.346 4.745 40 30 CJEBRN N#Cc1c2c(sc1/N=C/c1ccccc1Cl)CCC2 ZINC000017023310 567874563 /nfs/dbraw/zinc/87/45/63/567874563.db2.gz XSLKZOBOQKJJAW-GIJQJNRQSA-N 0 0 286.787 4.512 40 30 CJEBRN O=C1C[C@@H](c2ccccc2)CC2=C1C=C1c3ccccc3N=C12 ZINC000017024266 170722723 /nfs/dbraw/zinc/72/27/23/170722723.db2.gz MFVIKQSPFFXKDS-AWEZNQCLSA-N 0 0 297.357 4.613 40 30 CJEBRN O=C1C[C@H](c2ccccc2)CC2=C1C=C1c3ccccc3N=C12 ZINC000017024269 170722734 /nfs/dbraw/zinc/72/27/34/170722734.db2.gz MFVIKQSPFFXKDS-CQSZACIVSA-N 0 0 297.357 4.613 40 30 CJEBRN N#C/C(=N\c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000017024280 567874613 /nfs/dbraw/zinc/87/46/13/567874613.db2.gz YONAHOGLIGAPJX-NBVRZTHBSA-N 0 0 275.138 4.638 40 30 CJEBRN O=C(/C=C/c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000017058394 567874795 /nfs/dbraw/zinc/87/47/95/567874795.db2.gz APDLDPJVXCOGTA-RMKNXTFCSA-N 0 0 277.150 4.890 40 30 CJEBRN CC[C@@H](C)O/C(=N\c1ccccc1)c1ccccc1 ZINC000017060109 567874880 /nfs/dbraw/zinc/87/48/80/567874880.db2.gz AWQRJGRZZDMXDL-MGPWXQLLSA-N 0 0 253.345 4.580 40 30 CJEBRN Cc1ccc(/N=C/c2cccs2)c(Br)c1 ZINC000017060437 567874777 /nfs/dbraw/zinc/87/47/77/567874777.db2.gz BVWGZTIKKCSXOE-RIYZIHGNSA-N 0 0 280.190 4.570 40 30 CJEBRN Oc1ccc2ccccc2c1/C=N/Sc1ccccc1 ZINC000017062366 567874949 /nfs/dbraw/zinc/87/49/49/567874949.db2.gz RQLCOXRPGWDJMF-LDADJPATSA-N 0 0 279.364 4.672 40 30 CJEBRN Clc1cc(Cl)cc(/N=C\c2cccs2)c1 ZINC000017063353 567875061 /nfs/dbraw/zinc/87/50/61/567875061.db2.gz NEHGEOSAQSBJKF-AUWJEWJLSA-N 0 0 256.157 4.806 40 30 CJEBRN O=C(C=CNc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000017087099 230371823 /nfs/dbraw/zinc/37/18/23/230371823.db2.gz YJYXHWSSRAHHPC-CMDGGOBGSA-N 0 0 292.165 4.802 40 30 CJEBRN Cc1ccc(Cl)cc1NC=CC(=O)c1ccc(F)cc1 ZINC000017087100 534146996 /nfs/dbraw/zinc/14/69/96/534146996.db2.gz RCRQONLFFQIBJD-CMDGGOBGSA-N 0 0 289.737 4.596 40 30 CJEBRN O=C1CCCCCC1=CNc1cc(Cl)ccc1Cl ZINC000017087122 230371816 /nfs/dbraw/zinc/37/18/16/230371816.db2.gz YLJQICDWHJPAPR-MDZDMXLPSA-N 0 0 284.186 4.822 40 30 CJEBRN Cc1ccc(/C=C2\C/C(=C\c3ccc(C)cc3)C2=O)cc1 ZINC000017104771 170725337 /nfs/dbraw/zinc/72/53/37/170725337.db2.gz VKMTXHNTBYCLAE-GDAWTGGTSA-N 0 0 274.363 4.743 40 30 CJEBRN Cc1ccc(/C=C2/C/C(=C/c3ccc(C)cc3)C2=O)cc1 ZINC000017104773 567874790 /nfs/dbraw/zinc/87/47/90/567874790.db2.gz VKMTXHNTBYCLAE-ZAORYEFMSA-N 0 0 274.363 4.743 40 30 CJEBRN CSC(/C=C\c1ccccc1)=[NH+]\c1ccccc1 ZINC000017109372 567875079 /nfs/dbraw/zinc/87/50/79/567875079.db2.gz KGDXVHCSIVRCDZ-NQJJCMTOSA-N 0 0 253.370 4.793 40 30 CJEBRN CSC(/C=C/c1ccccc1)=[NH+]\c1ccccc1 ZINC000017109374 567874961 /nfs/dbraw/zinc/87/49/61/567874961.db2.gz KGDXVHCSIVRCDZ-HQEWTDLPSA-N 0 0 253.370 4.793 40 30 CJEBRN CCCCN(CCCC)/C(Cl)=N\c1ccccc1 ZINC000017109400 567874769 /nfs/dbraw/zinc/87/47/69/567874769.db2.gz NVOJPVOJWWNVAO-ICFOKQHNSA-N 0 0 266.816 4.815 40 30 CJEBRN O=C(/C=N/c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000017109542 170725916 /nfs/dbraw/zinc/72/59/16/170725916.db2.gz KNEQGIKSBWSOFR-RQZCQDPDSA-N 0 0 278.138 4.579 40 30 CJEBRN Cc1cccc(C)c1N/C=[NH+]/c1c(C)cccc1C ZINC000017120148 567874953 /nfs/dbraw/zinc/87/49/53/567874953.db2.gz KRVLLLZWGORPLI-UHFFFAOYSA-N 0 0 252.361 4.692 40 30 CJEBRN CC(C)(C)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000017120330 567875026 /nfs/dbraw/zinc/87/50/26/567875026.db2.gz STNYEQSXKXKGCA-ALCCZGGFSA-N 0 0 257.160 4.622 40 30 CJEBRN CCCCC(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000017120333 567874835 /nfs/dbraw/zinc/87/48/35/567874835.db2.gz YAPGGSHECKFLDO-ALCCZGGFSA-N 0 0 257.160 4.766 40 30 CJEBRN CC[C@@H](C)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000017121266 170725714 /nfs/dbraw/zinc/72/57/14/170725714.db2.gz OOFLEXQCPRWYGG-WILPJHFFSA-N 0 0 257.160 4.622 40 30 CJEBRN CC[C@H](C)C(=O)/C=C\c1ccc(Cl)c(Cl)c1 ZINC000017121269 170725963 /nfs/dbraw/zinc/72/59/63/170725963.db2.gz OOFLEXQCPRWYGG-PGBBXKAQSA-N 0 0 257.160 4.622 40 30 CJEBRN CCC(=CCc1ccccc1)N=Nc1ccccc1 ZINC000017142986 567874902 /nfs/dbraw/zinc/87/49/02/567874902.db2.gz KARJIOPZHGAXLD-ZVIXXABQSA-N 0 0 250.345 4.578 40 30 CJEBRN CCC(=CCc1ccccc1)N=Nc1ccccc1 ZINC000017142987 567874851 /nfs/dbraw/zinc/87/48/51/567874851.db2.gz KARJIOPZHGAXLD-OICJTPSNSA-N 0 0 250.345 4.578 40 30 CJEBRN CCC(=CCc1ccc(OC)cc1)N=Nc1ccccc1 ZINC000017174673 567875252 /nfs/dbraw/zinc/87/52/52/567875252.db2.gz BDFAOTOUTQXGMK-LNRKMFJESA-N 0 0 280.371 4.587 40 30 CJEBRN CCC(=CCc1ccc(OC)cc1)N=Nc1ccccc1 ZINC000017174674 567875289 /nfs/dbraw/zinc/87/52/89/567875289.db2.gz BDFAOTOUTQXGMK-UJQFOEIGSA-N 0 0 280.371 4.587 40 30 CJEBRN O=C(/C=C\c1ccccc1)c1ccc(Cl)cc1Cl ZINC000017197272 567875340 /nfs/dbraw/zinc/87/53/40/567875340.db2.gz MAHZJRXLVQTYEA-TWGQIWQCSA-N 0 0 277.150 4.890 40 30 CJEBRN CC(C)(C)C(=O)/C=C\c1ccc(-c2ccccc2)cc1 ZINC000017197546 567875181 /nfs/dbraw/zinc/87/51/81/567875181.db2.gz ALDISYCYJQZKBD-KAMYIIQDSA-N 0 0 264.368 4.982 40 30 CJEBRN CC(C)(C)C(=C[S@](=O)/N=C/c1ccccc1)C(C)(C)C ZINC000017216429 170730536 /nfs/dbraw/zinc/73/05/36/170730536.db2.gz IFJIHDZDVFQSKL-VOMPUTFMSA-N 0 0 291.460 4.745 40 30 CJEBRN c1ccc(/N=C2\c3ccccc3CN2c2ccccc2)cc1 ZINC000017221613 567875353 /nfs/dbraw/zinc/87/53/53/567875353.db2.gz NYFZFDOLBPSPCL-QZQOTICOSA-N 0 0 284.362 4.785 40 30 CJEBRN COc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1 ZINC000017287804 567875121 /nfs/dbraw/zinc/87/51/21/567875121.db2.gz JUDOFUPCEWFQOU-YBFXNURJSA-N 0 0 283.371 4.583 40 30 CJEBRN CCOc1ccccc1/C=N\c1cc(C(C)C)c(O)cc1C ZINC000017287820 567875403 /nfs/dbraw/zinc/87/54/03/567875403.db2.gz GGAIEVPJAMFJEW-NDENLUEZSA-N 0 0 297.398 4.973 40 30 CJEBRN COc1ccccc1/C=N\c1cc(C(C)C)c(O)cc1C ZINC000017288038 567875168 /nfs/dbraw/zinc/87/51/68/567875168.db2.gz DPJQTLDKNGEWFN-ODLFYWEKSA-N 0 0 283.371 4.583 40 30 CJEBRN Cc1cc(O)c(C(C)C)cc1/N=C\c1ccc(N(C)C)cc1 ZINC000017288040 170731678 /nfs/dbraw/zinc/73/16/78/170731678.db2.gz JICLFSVEWIEWCK-NDENLUEZSA-N 0 0 296.414 4.641 40 30 CJEBRN COc1ccc(/C=C\C(=O)/C=C\C=C/c2ccccc2)cc1 ZINC000017288542 170731977 /nfs/dbraw/zinc/73/19/77/170731977.db2.gz KBNIZXFFJWWJME-RVVNHXTHSA-N 0 0 290.362 4.547 40 30 CJEBRN Cc1cc(O)c(C(C)C)cc1/N=C\Cc1ccccc1 ZINC000017288804 567875175 /nfs/dbraw/zinc/87/51/75/567875175.db2.gz IJWWYWLDBWLZHB-GRSHGNNSSA-N 0 0 267.372 4.769 40 30 CJEBRN C/C(=N\O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000017300305 567875565 /nfs/dbraw/zinc/87/55/65/567875565.db2.gz UPPMLCHPBFHENL-VCHYOVAHSA-N 0 0 294.181 4.975 40 30 CJEBRN O=C(/C=C/c1ccccc1)c1cccc2ccccc21 ZINC000017300727 567041052 /nfs/dbraw/zinc/04/10/52/567041052.db2.gz RSYVUCWGXLBPOV-BUHFOSPRSA-N 0 0 258.320 4.736 40 30 CJEBRN C=C[C@@](C)(CCC=C(C)C)OC(=O)/C=C\c1ccccc1 ZINC000017303484 170732504 /nfs/dbraw/zinc/73/25/04/170732504.db2.gz DPFUEXLIKDHJNB-QQBSYFJQSA-N 0 0 284.399 4.934 40 30 CJEBRN c1ccc(/N=C(/Nc2ccccc2)Oc2ccccc2)cc1 ZINC000017310747 567875635 /nfs/dbraw/zinc/87/56/35/567875635.db2.gz IUNQHINZOKZXGI-UHFFFAOYSA-N 0 0 288.350 4.865 40 30 CJEBRN Cc1ccc(/N=C\c2c(O)ccc3ccccc32)cc1 ZINC000017311149 567875643 /nfs/dbraw/zinc/87/56/43/567875643.db2.gz FLLXNRWVERXYJX-UNOMPAQXSA-N 0 0 261.324 4.604 40 30 CJEBRN Cc1cc(C(C)(C)C)cc(/C=N\c2ccccc2)c1O ZINC000017311270 567875743 /nfs/dbraw/zinc/87/57/43/567875743.db2.gz JAYODFFYEKOCED-UNOMPAQXSA-N 0 0 267.372 4.749 40 30 CJEBRN C=C[C@@](C)(CC/C=C(/C)CCC=C(C)C)OC(C)=O ZINC000017327635 570345530 /nfs/dbraw/zinc/34/55/30/570345530.db2.gz PRNJXUQTUSFYLV-KSVUCXBSSA-N 0 0 264.409 4.967 40 30 CJEBRN C=C[C@](C)(CC/C=C(/C)CCC=C(C)C)OC(C)=O ZINC000017327637 566925992 /nfs/dbraw/zinc/92/59/92/566925992.db2.gz PRNJXUQTUSFYLV-MLRPBERTSA-N 0 0 264.409 4.967 40 30 CJEBRN CC/C(=N\N=C(\CC)c1cccs1)c1cccs1 ZINC000017377375 520179804 /nfs/dbraw/zinc/17/98/04/520179804.db2.gz KATDZDZDLBMRSM-UKVBVZPVSA-N 0 0 276.430 4.823 40 30 CJEBRN C1=C(c2ccccc2)c2ccccc2C1=NNc1ccccc1 ZINC000017378893 567875783 /nfs/dbraw/zinc/87/57/83/567875783.db2.gz JJFDNOAWFREGQC-LNVKXUELSA-N 0 0 296.373 4.948 40 30 CJEBRN CC(C)(CCCOc1ccccc1)/C(=N\O)c1ccccc1 ZINC000017379589 519212167 /nfs/dbraw/zinc/21/21/67/519212167.db2.gz QFZRIGNPMQBSAU-ZZEZOPTASA-N 0 0 297.398 4.750 40 30 CJEBRN ON(/C(=N\c1ccccc1)c1ccccc1)c1ccccc1 ZINC000017418514 567875813 /nfs/dbraw/zinc/87/58/13/567875813.db2.gz LSBWGXUVQQIGMF-VXPUYCOJSA-N 0 0 288.350 4.661 40 30 CJEBRN CC1(C)/C(=N/N=C2/[C@@H]3CC[C@@H](C3)C2(C)C)[C@H]2CC[C@@H]1C2 ZINC000017748855 528863095 /nfs/dbraw/zinc/86/30/95/528863095.db2.gz XQRJPTRQKQARPX-WFLLOGKASA-N 0 0 272.436 4.696 40 30 CJEBRN CCCOc1ccc(/C=N/c2ccc(C)cc2)cc1 ZINC000017992316 567876100 /nfs/dbraw/zinc/87/61/00/567876100.db2.gz NFNBCECWJFHKQU-QGOAFFKASA-N 0 0 253.345 4.534 40 30 CJEBRN O=[N+]([O-])c1cccc(/C=N\c2cc(Cl)ccc2Cl)c1 ZINC000018007249 527384913 /nfs/dbraw/zinc/38/49/13/527384913.db2.gz CUMIXWTUSZXLPX-PXNMLYILSA-N 0 0 295.125 4.652 40 30 CJEBRN Cc1ccc(/C=C2\C/C(=C/c3ccc(C)cc3)C2=O)cc1 ZINC000018022531 567875980 /nfs/dbraw/zinc/87/59/80/567875980.db2.gz VKMTXHNTBYCLAE-VHVWWYSBSA-N 0 0 274.363 4.743 40 30 CJEBRN CC(=O)Nc1ccc(/C=N/c2ccc3ccccc3c2)cc1 ZINC000018057263 567876406 /nfs/dbraw/zinc/87/64/06/567876406.db2.gz PZKIWNFGJCWYMT-DEDYPNTBSA-N 0 0 288.350 4.549 40 30 CJEBRN CC(C)(C)C(=C[S@@](=O)/N=C/c1ccccc1)C(C)(C)C ZINC000018066082 567876413 /nfs/dbraw/zinc/87/64/13/567876413.db2.gz IFJIHDZDVFQSKL-YWFITGJYSA-N 0 0 291.460 4.745 40 30 CJEBRN Oc1ccc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)cc1 ZINC000018066868 567876619 /nfs/dbraw/zinc/87/66/19/567876619.db2.gz UVBVKONKAFPEAL-FYJGNVAPSA-N 0 0 285.346 4.714 40 30 CJEBRN CN(C)c1ccc(/C=N\c2cc(Cl)ccc2Cl)cc1 ZINC000018069259 170741709 /nfs/dbraw/zinc/74/17/09/170741709.db2.gz WPONCOUMKNSQJX-ZDLGFXPLSA-N 0 0 293.197 4.810 40 30 CJEBRN C(=Nc1ccccc1)C1=C(Nc2ccccc2)CCC1 ZINC000018086715 567876573 /nfs/dbraw/zinc/87/65/73/567876573.db2.gz VIMFOEGMIZDYIT-XMHGGMMESA-N 0 0 262.356 4.939 40 30 CJEBRN O=C1c2ccccc2-c2ccc(/N=C/c3ccccc3)cc21 ZINC000018096176 170742058 /nfs/dbraw/zinc/74/20/58/170742058.db2.gz ZHPAQUWLEXUPEW-FYJGNVAPSA-N 0 0 283.330 4.649 40 30 CJEBRN Cc1ccc(/C=N/c2cc(C(C)C)c(O)cc2C)cc1 ZINC000018098838 567876549 /nfs/dbraw/zinc/87/65/49/567876549.db2.gz LETVAFJHBPTCKT-YBFXNURJSA-N 0 0 267.372 4.883 40 30 CJEBRN O[C@@H](/C(=N/c1ccccc1)c1ccccc1)c1ccccc1 ZINC000018175957 567940541 /nfs/dbraw/zinc/94/05/41/567940541.db2.gz ZHTOXPUFUPXHPZ-YDJIHCHBSA-N 0 0 287.362 4.541 40 30 CJEBRN C=CCCCCCCCCCOc1ccc(CO)cc1 ZINC000019075544 527113440 /nfs/dbraw/zinc/11/34/40/527113440.db2.gz FHHWVGTXFNZZOZ-UHFFFAOYSA-N 0 0 276.420 4.865 40 30 CJEBRN C=CCOc1ccc(CNc2cc(Cl)ccc2C)cc1 ZINC000019992010 567945223 /nfs/dbraw/zinc/94/52/23/567945223.db2.gz DNFCMQPQGIJYAU-UHFFFAOYSA-N 0 0 287.790 4.825 40 30 CJEBRN C=CCOc1ccc(CNc2ccc(F)c(Cl)c2)cc1 ZINC000020303929 256798605 /nfs/dbraw/zinc/79/86/05/256798605.db2.gz ZMQCDOAPWVGLCU-UHFFFAOYSA-N 0 0 291.753 4.656 40 30 CJEBRN CCC(=NNc1ccc2ccccc2n1)c1ccc(F)cc1 ZINC000020986112 171283024 /nfs/dbraw/zinc/28/30/24/171283024.db2.gz GFWGCENRKPZUJY-LTGZKZEYSA-N 0 0 293.345 4.600 40 30 CJEBRN C=CCOc1ccc(CNc2ccc(C)c(Cl)c2)cc1 ZINC000021014590 570303364 /nfs/dbraw/zinc/30/33/64/570303364.db2.gz KMAMLNAVZAVOHO-UHFFFAOYSA-N 0 0 287.790 4.825 40 30 CJEBRN C=CCOc1ccc(CNc2cccc(Cl)c2C)cc1 ZINC000021816185 171332548 /nfs/dbraw/zinc/33/25/48/171332548.db2.gz UVUUUDDNEYGRIJ-UHFFFAOYSA-N 0 0 287.790 4.825 40 30 CJEBRN Clc1cccc(CON=C2CCCCCC2)c1 ZINC000022115833 171353340 /nfs/dbraw/zinc/35/33/40/171353340.db2.gz DLPQATRVAWGHET-UHFFFAOYSA-N 0 0 251.757 4.567 40 30 CJEBRN O=C1c2ccccc2-c2ccc(/N=C/c3cccs3)cc21 ZINC000022246408 171382390 /nfs/dbraw/zinc/38/23/90/171382390.db2.gz HBSYVOMOOJGVET-YBFXNURJSA-N 0 0 289.359 4.710 40 30 CJEBRN O/N=C(/c1ccccc1)C1c2ccccc2-c2ccccc21 ZINC000022345673 171385577 /nfs/dbraw/zinc/38/55/77/171385577.db2.gz HHOURJFXDJHIPT-MRCUWXFGSA-N 0 0 285.346 4.677 40 30 CJEBRN Cc1cc(N=NC2C[C@@H]3C=CC[C@H]23)nc2ccc(Cl)cc12 ZINC000023224109 570310892 /nfs/dbraw/zinc/31/08/92/570310892.db2.gz ZBUGXFWWIROVGX-YEQQQODTSA-N 0 0 297.789 4.561 40 30 CJEBRN Cc1cc(N=NC2C[C@H]3C=CC[C@H]23)nc2ccc(Cl)cc12 ZINC000023224110 171416258 /nfs/dbraw/zinc/41/62/58/171416258.db2.gz ZBUGXFWWIROVGX-LXXQFTNUSA-N 0 0 297.789 4.561 40 30 CJEBRN Cc1cc(N=NC2C[C@@H]3C=CC[C@@H]23)nc2ccc(Cl)cc12 ZINC000023224111 570310949 /nfs/dbraw/zinc/31/09/49/570310949.db2.gz ZBUGXFWWIROVGX-QJNRRLCJSA-N 0 0 297.789 4.561 40 30 CJEBRN Cc1cc(N=NC2C[C@H]3C=CC[C@@H]23)nc2ccc(Cl)cc12 ZINC000023224112 570310953 /nfs/dbraw/zinc/31/09/53/570310953.db2.gz ZBUGXFWWIROVGX-KZEOWVAKSA-N 0 0 297.789 4.561 40 30 CJEBRN Cc1cc(C)c(C(=O)/C=C/c2ccc(F)cc2)c(C)c1 ZINC000026442349 171484714 /nfs/dbraw/zinc/48/47/14/171484714.db2.gz MYCAHJZEGJGXTO-RMKNXTFCSA-N 0 0 268.331 4.647 40 30 CJEBRN CCSC1=CC(=O)C[C@@H](c2ccc(Cl)cc2)S1 ZINC000026896907 171502532 /nfs/dbraw/zinc/50/25/32/171502532.db2.gz HUBMCSIKWVLJLD-LBPRGKRZSA-N 0 0 284.833 4.682 40 30 CJEBRN CCSC1=CC(=O)C[C@H](c2ccc(Cl)cc2)S1 ZINC000026896909 567883295 /nfs/dbraw/zinc/88/32/95/567883295.db2.gz HUBMCSIKWVLJLD-GFCCVEGCSA-N 0 0 284.833 4.682 40 30 CJEBRN C[C@@H](N[C@H](C#N)c1cccc2ccccc21)c1ccccc1 ZINC000026899067 570356788 /nfs/dbraw/zinc/35/67/88/570356788.db2.gz OHLWVWCLGKLJJT-FOIQADDNSA-N 0 0 286.378 4.755 40 30 CJEBRN CC(C)(C)c1nc(C#N)c(Sc2ccc(Cl)cc2)o1 ZINC000027332933 566855166 /nfs/dbraw/zinc/85/51/66/566855166.db2.gz FYCSFGFNLVKSRH-UHFFFAOYSA-N 0 0 292.791 4.648 40 30 CJEBRN CCCCCCCCCc1cccc(OC)c1C(=O)OC ZINC000028540910 567883947 /nfs/dbraw/zinc/88/39/47/567883947.db2.gz NLWFENWHWRRWDS-UHFFFAOYSA-N 0 0 292.419 4.775 40 30 CJEBRN O=C1c2ccccc2CCC/C1=C\c1cccc(Cl)c1 ZINC000028767030 567883976 /nfs/dbraw/zinc/88/39/76/567883976.db2.gz CCYUZLMAXZQHRT-RVDMUPIBSA-N 0 0 282.770 4.943 40 30 CJEBRN CSc1ccc(/C=C/C(=O)c2ccc(C)cc2)cc1 ZINC000028884943 567953614 /nfs/dbraw/zinc/95/36/14/567953614.db2.gz OZJHMGGPZMUIJN-KPKJPENVSA-N 0 0 268.381 4.613 40 30 CJEBRN CSc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 ZINC000028884949 567953645 /nfs/dbraw/zinc/95/36/45/567953645.db2.gz MGQPGLJXWRORLQ-NYYWCZLTSA-N 0 0 288.799 4.958 40 30 CJEBRN C#CCOC(=O)/C=C(C)/C=C/C[C@@H](C)CCCC(C)C ZINC000029307557 566933511 /nfs/dbraw/zinc/93/35/11/566933511.db2.gz FZRBKIRIBLNOAM-PBGROSLGSA-N 0 0 276.420 4.518 40 30 in-vitro CJEBRN COc1cccc(/C=C/C(=O)/C=C\C=C/c2ccccc2)c1 ZINC000031601826 567885022 /nfs/dbraw/zinc/88/50/22/567885022.db2.gz MEUQJGNPLMXOPR-DYXZWGCXSA-N 0 0 290.362 4.547 40 30 CJEBRN COc1ccc(/C=C/C(=O)/C=C\C=C/c2ccccc2)cc1 ZINC000031623785 171640995 /nfs/dbraw/zinc/64/09/95/171640995.db2.gz KBNIZXFFJWWJME-FYHCJKMXSA-N 0 0 290.362 4.547 40 30 CJEBRN CC(C)c1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1 ZINC000031623958 567885149 /nfs/dbraw/zinc/88/51/49/567885149.db2.gz PDTYPSGPNIQEEG-WQRHYEAKSA-N 0 0 295.411 4.866 40 30 CJEBRN C(=NNc1ccccc1)c1ccc(-c2ccccc2)cc1 ZINC000031647480 567885209 /nfs/dbraw/zinc/88/52/09/567885209.db2.gz PTLXOOUUIUZDLN-HKWRFOASSA-N 0 0 272.351 4.800 40 30 CJEBRN O=C(/C=C\C=C/c1ccccc1)c1ccc(Cl)cc1 ZINC000031719675 567885071 /nfs/dbraw/zinc/88/50/71/567885071.db2.gz NJZYARIVQCEJQT-XEQVNJCQSA-N 0 0 268.743 4.792 40 30 CJEBRN CCC(=CCc1ccccc1)N=Nc1ccc(C)cc1 ZINC000031772544 567885267 /nfs/dbraw/zinc/88/52/67/567885267.db2.gz HWAMKKWDCYOCFE-MYRHIGEGSA-N 0 0 264.372 4.886 40 30 CJEBRN O=C1CCCC/C1=C/c1ccc(Cl)c(Cl)c1 ZINC000031829798 171649156 /nfs/dbraw/zinc/64/91/56/171649156.db2.gz FLTPMKGSZHZVQN-YFHOEESVSA-N 0 0 255.144 4.520 40 30 CJEBRN CCN(CC)/N=C\c1c2ccccc2cc2ccccc21 ZINC000031870739 567885186 /nfs/dbraw/zinc/88/51/86/567885186.db2.gz JBECARDKNUOKGS-ZHZULCJRSA-N 0 0 276.383 4.669 40 30 CJEBRN O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000032063342 567885745 /nfs/dbraw/zinc/88/57/45/567885745.db2.gz KAJZFXZLJBACNX-CLFYSBASSA-N 0 0 277.150 4.890 40 30 CJEBRN CC(C)c1ccccc1NC=CC(=O)c1ccccc1 ZINC000032100051 567885411 /nfs/dbraw/zinc/88/54/11/567885411.db2.gz FAGUELRKPSYQCG-OUKQBFOZSA-N 0 0 265.356 4.619 40 30 CJEBRN Cc1ccc(C(=O)C=CNc2ccccc2C(C)C)cc1 ZINC000032100086 171696933 /nfs/dbraw/zinc/69/69/33/171696933.db2.gz HZKPATBYVOVDNE-OUKQBFOZSA-N 0 0 279.383 4.927 40 30 CJEBRN Cc1ccc(C)c(NC=CC(=O)c2ccc(Cl)cc2)c1 ZINC000032100122 171696721 /nfs/dbraw/zinc/69/67/21/171696721.db2.gz MIHXMMMDPZTCBT-MDZDMXLPSA-N 0 0 285.774 4.765 40 30 CJEBRN Cc1cccc(C)c1NC=CC(=O)c1ccc(Cl)cc1 ZINC000032100124 567885608 /nfs/dbraw/zinc/88/56/08/567885608.db2.gz JDBXPZDXLFRNGI-ZHACJKMWSA-N 0 0 285.774 4.765 40 30 CJEBRN CC(=CC(=O)c1ccccc1)Nc1cc(Cl)ccc1C ZINC000032100291 567885521 /nfs/dbraw/zinc/88/55/21/567885521.db2.gz YYQNAMYVAYMXKW-JLHYYAGUSA-N 0 0 285.774 4.847 40 30 CJEBRN CC(=CC(=O)c1ccccc1)Nc1cc(C)ccc1C ZINC000032100295 567885468 /nfs/dbraw/zinc/88/54/68/567885468.db2.gz WSLYQHIXYGLTMU-NTCAYCPXSA-N 0 0 265.356 4.502 40 30 CJEBRN CC(=CC(=O)c1ccccc1)Nc1c(C)cccc1C ZINC000032100297 567885406 /nfs/dbraw/zinc/88/54/06/567885406.db2.gz WEWPLKMYCLTBKM-NTCAYCPXSA-N 0 0 265.356 4.502 40 30 CJEBRN CCc1cccc(C)c1NC(C)=CC(=O)c1ccccc1 ZINC000032100299 171696819 /nfs/dbraw/zinc/69/68/19/171696819.db2.gz IHMXBEIXBUKRIO-FYWRMAATSA-N 0 0 279.383 4.756 40 30 CJEBRN COc1ccc(C(=O)C=C(C)Nc2ccc(C)cc2C)cc1 ZINC000032100337 567885729 /nfs/dbraw/zinc/88/57/29/567885729.db2.gz WSXLQIDWXPFOBV-NTCAYCPXSA-N 0 0 295.382 4.511 40 30 CJEBRN COc1ccc(C(=O)C=C(C)Nc2cc(C)ccc2C)cc1 ZINC000032100339 567885589 /nfs/dbraw/zinc/88/55/89/567885589.db2.gz HWUXOJCCQSTVMH-NTCAYCPXSA-N 0 0 295.382 4.511 40 30 CJEBRN COc1ccc(C(=O)C=C(C)Nc2c(C)cccc2C)cc1 ZINC000032100342 567885560 /nfs/dbraw/zinc/88/55/60/567885560.db2.gz UNGFCQQIIMVAFG-NTCAYCPXSA-N 0 0 295.382 4.511 40 30 CJEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1cccc(C)c1 ZINC000032100386 567885665 /nfs/dbraw/zinc/88/56/65/567885665.db2.gz CPLIGRSSSMKLMJ-NTCAYCPXSA-N 0 0 265.356 4.502 40 30 CJEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1cccc(Cl)c1 ZINC000032100389 567885500 /nfs/dbraw/zinc/88/55/00/567885500.db2.gz DDEUYOFOIPQMTQ-JLHYYAGUSA-N 0 0 285.774 4.847 40 30 CJEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1ccc(C)cc1C ZINC000032100406 567885723 /nfs/dbraw/zinc/88/57/23/567885723.db2.gz JQADDXCRNMONSI-FOWTUZBSSA-N 0 0 279.383 4.810 40 30 CJEBRN CC(=CC(=O)c1ccc(C)cc1)Nc1c(C)cccc1C ZINC000032100409 567885630 /nfs/dbraw/zinc/88/56/30/567885630.db2.gz HSXFHKGDILYCPV-FOWTUZBSSA-N 0 0 279.383 4.810 40 30 CJEBRN CC(=CC(=O)c1ccc(Cl)cc1)Nc1cccc(C)c1 ZINC000032100519 171697141 /nfs/dbraw/zinc/69/71/41/171697141.db2.gz XLQQIMBPYAYOIT-ACCUITESSA-N 0 0 285.774 4.847 40 30 CJEBRN Cc1ccc(/N=C/c2ccc3ccccc3c2O)cc1 ZINC000032101546 567885568 /nfs/dbraw/zinc/88/55/68/567885568.db2.gz WJFRPEBTHLDPNY-XDHOZWIPSA-N 0 0 261.324 4.604 40 30 CJEBRN Cc1cccc(/N=C/c2ccc3ccccc3c2O)c1 ZINC000032101550 567885427 /nfs/dbraw/zinc/88/54/27/567885427.db2.gz BQXWUTYKNUAOLX-XDHOZWIPSA-N 0 0 261.324 4.604 40 30 CJEBRN Cc1ccccc1/N=C/c1ccc2ccccc2c1O ZINC000032101554 567885619 /nfs/dbraw/zinc/88/56/19/567885619.db2.gz UNXCCFTUMMPDLQ-XDHOZWIPSA-N 0 0 261.324 4.604 40 30 CJEBRN CCOc1ccc(/N=C\c2ccc3ccccc3c2O)cc1 ZINC000032101557 567885581 /nfs/dbraw/zinc/88/55/81/567885581.db2.gz QYHWPYDNIXASQO-MOSHPQCFSA-N 0 0 291.350 4.695 40 30 CJEBRN CCOc1ccccc1/N=C\c1ccc2ccccc2c1O ZINC000032101560 567885393 /nfs/dbraw/zinc/88/53/93/567885393.db2.gz AVLBSFIPGQOYEM-MOSHPQCFSA-N 0 0 291.350 4.695 40 30 CJEBRN Oc1c(/C=N/c2ccc(Cl)cc2)ccc2ccccc12 ZINC000032101572 567885671 /nfs/dbraw/zinc/88/56/71/567885671.db2.gz IKPVCWGJQXIOEF-YBFXNURJSA-N 0 0 281.742 4.949 40 30 CJEBRN Oc1c(/C=N/c2cccc(Cl)c2)ccc2ccccc12 ZINC000032101576 567885415 /nfs/dbraw/zinc/88/54/15/567885415.db2.gz NHQNHYGIPCHADR-YBFXNURJSA-N 0 0 281.742 4.949 40 30 CJEBRN Cc1cccc(/N=C/c2ccc3ccccc3c2O)c1C ZINC000032101641 567885572 /nfs/dbraw/zinc/88/55/72/567885572.db2.gz MQZUWBPJKGVXCD-UDWIEESQSA-N 0 0 275.351 4.913 40 30 CJEBRN Cc1ccc(/N=C/c2ccc3ccccc3c2O)c(C)c1 ZINC000032101645 567885628 /nfs/dbraw/zinc/88/56/28/567885628.db2.gz OWLKSZQIYXBYGH-UDWIEESQSA-N 0 0 275.351 4.913 40 30 CJEBRN Cc1ccc(C)c(/N=C/c2ccc3ccccc3c2O)c1 ZINC000032101649 567885757 /nfs/dbraw/zinc/88/57/57/567885757.db2.gz IKHWSWIKKUXCQN-UDWIEESQSA-N 0 0 275.351 4.913 40 30 CJEBRN Cc1cccc(C)c1/N=C/c1ccc2ccccc2c1O ZINC000032101652 567885639 /nfs/dbraw/zinc/88/56/39/567885639.db2.gz VOJFAZWCVDHHOS-UDWIEESQSA-N 0 0 275.351 4.913 40 30 CJEBRN Cc1cccc(/C=C/C(=O)c2ccc(C)c(C)c2)c1 ZINC000032105409 567885483 /nfs/dbraw/zinc/88/54/83/567885483.db2.gz CKZSMHXOHLJPQJ-CSKARUKUSA-N 0 0 250.341 4.508 40 30 CJEBRN CC(C)c1ccc(/C=C/C(=O)c2cccs2)cc1 ZINC000032109166 567885593 /nfs/dbraw/zinc/88/55/93/567885593.db2.gz HMXKUIXZQRGHII-JXMROGBWSA-N 0 0 256.370 4.768 40 30 CJEBRN CCc1ccc(/C=C/C(=O)c2ccc(CC)cc2)cc1 ZINC000032113564 567885679 /nfs/dbraw/zinc/88/56/79/567885679.db2.gz ZSPWSEAXGWIJAI-SDNWHVSQSA-N 0 0 264.368 4.708 40 30 CJEBRN CCc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1 ZINC000032113565 171706820 /nfs/dbraw/zinc/70/68/20/171706820.db2.gz WWJUTTDVFWJAAC-ZRDIBKRKSA-N 0 0 264.368 4.762 40 30 CJEBRN CC(C)(C)c1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000032113567 567885576 /nfs/dbraw/zinc/88/55/76/567885576.db2.gz LTUGRZGUQVIHCI-SDNWHVSQSA-N 0 0 264.368 4.880 40 30 CJEBRN c1cc2c(s1)CCCC2=NN=c1[nH]c2ccccc2s1 ZINC000032116741 570310607 /nfs/dbraw/zinc/31/06/07/570310607.db2.gz ROPVJYGCCROUAI-BOPFTXTBSA-N 0 0 299.424 4.510 40 30 CJEBRN CCc1ccc(/C=C/C(=O)c2ccc(Cl)cc2)cc1 ZINC000032118408 171710665 /nfs/dbraw/zinc/71/06/65/171710665.db2.gz PIYBYVAIWMVDSD-KPKJPENVSA-N 0 0 270.759 4.799 40 30 CJEBRN CCc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1 ZINC000032118409 567886128 /nfs/dbraw/zinc/88/61/28/567886128.db2.gz QDPYAOJYMPYMOG-VAWYXSNFSA-N 0 0 270.759 4.799 40 30 CJEBRN Cc1ccc(C(=O)/C=C/c2ccccc2Cl)cc1C ZINC000032118410 171710678 /nfs/dbraw/zinc/71/06/78/171710678.db2.gz BKYRGQICSWUVFF-MDZDMXLPSA-N 0 0 270.759 4.853 40 30 CJEBRN CCc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1 ZINC000032118412 567886044 /nfs/dbraw/zinc/88/60/44/567886044.db2.gz NMXQZOXEJCRWLQ-DHZHZOJOSA-N 0 0 270.759 4.799 40 30 CJEBRN Cc1ccc(C(=O)/C=C/c2cccc(Cl)c2)cc1C ZINC000032118413 567885870 /nfs/dbraw/zinc/88/58/70/567885870.db2.gz NIDWGZKUERYSCU-VQHVLOKHSA-N 0 0 270.759 4.853 40 30 CJEBRN Cc1ccc(C(=O)/C=C/c2c(F)cccc2Cl)cc1 ZINC000032121281 567885893 /nfs/dbraw/zinc/88/58/93/567885893.db2.gz VNGIKOTVUSRSJM-MDZDMXLPSA-N 0 0 274.722 4.684 40 30 CJEBRN COc1ccccc1C(=O)/C=C/c1ccc(C(C)C)cc1 ZINC000032126696 260143428 /nfs/dbraw/zinc/14/34/28/260143428.db2.gz SGFXBWVVSVWIFK-JLHYYAGUSA-N 0 0 280.367 4.715 40 30 CJEBRN CCOc1ccccc1/C=C/C(=O)c1ccc(CC)cc1 ZINC000032126698 567885955 /nfs/dbraw/zinc/88/59/55/567885955.db2.gz SMAQXNKMVNRRCM-BUHFOSPRSA-N 0 0 280.367 4.544 40 30 CJEBRN CCOc1ccccc1/C=C/C(=O)c1ccc(C)c(C)c1 ZINC000032126700 260143833 /nfs/dbraw/zinc/14/38/33/260143833.db2.gz KLUWCSKFUAHWPA-VAWYXSNFSA-N 0 0 280.367 4.598 40 30 CJEBRN CCOc1ccc(/C=C/C(=O)c2ccc(CC)cc2)cc1 ZINC000032126713 171713699 /nfs/dbraw/zinc/71/36/99/171713699.db2.gz DGRSMLXLFPIHGY-NTEUORMPSA-N 0 0 280.367 4.544 40 30 CJEBRN CCOc1ccc(/C=C/C(=O)c2ccc(C)c(C)c2)cc1 ZINC000032126715 567885900 /nfs/dbraw/zinc/88/59/00/567885900.db2.gz YSVBMYFEQISMLI-XYOKQWHBSA-N 0 0 280.367 4.598 40 30 CJEBRN CCc1ccc(C(=O)/C=C/c2c(F)cccc2Cl)cc1 ZINC000032141938 567885788 /nfs/dbraw/zinc/88/57/88/567885788.db2.gz WVNJZIFTVUDNCV-ZHACJKMWSA-N 0 0 288.749 4.938 40 30 CJEBRN Cc1ccc(C(=O)/C=C/c2c(F)cccc2Cl)cc1C ZINC000032141941 567886131 /nfs/dbraw/zinc/88/61/31/567886131.db2.gz IOKFXBGCSVXAOP-CMDGGOBGSA-N 0 0 288.749 4.992 40 30 CJEBRN COc1ccccc1C(=O)/C=C/c1ccc(C(C)(C)C)cc1 ZINC000032157892 567885927 /nfs/dbraw/zinc/88/59/27/567885927.db2.gz MZRKVTFUPSHWAE-SDNWHVSQSA-N 0 0 294.394 4.889 40 30 CJEBRN O=C(C=CNc1ccccc1C(F)(F)F)c1ccccc1 ZINC000032194162 171721022 /nfs/dbraw/zinc/72/10/22/171721022.db2.gz PGAXQKVBFCBHMC-ZHACJKMWSA-N 0 0 291.272 4.514 40 30 CJEBRN O=C1c2ccccc2S/C1=C\c1ccccc1Cl ZINC000032257329 567885956 /nfs/dbraw/zinc/88/59/56/567885956.db2.gz BVKHSUQXMZDHBN-ZROIWOOFSA-N 0 0 272.756 4.670 40 30 CJEBRN O=C1c2ccccc2S/C1=C/c1c(F)cccc1Cl ZINC000033292750 570315661 /nfs/dbraw/zinc/31/56/61/570315661.db2.gz SOCNZAXBCNGFAV-RIYZIHGNSA-N 0 0 290.746 4.809 40 30 CJEBRN CCOc1cccc(NC(C)=CC(=O)c2ccc(C)cc2)c1 ZINC000033659910 567948121 /nfs/dbraw/zinc/94/81/21/567948121.db2.gz XGSAFFRHWGKBKG-NTCAYCPXSA-N 0 0 295.382 4.592 40 30 CJEBRN Cc1cc(NC=C2C[C@H](C(C)(C)C)CCC2=O)ccc1F ZINC000033666633 567096757 /nfs/dbraw/zinc/09/67/57/567096757.db2.gz QHVARNBMAXMERZ-YPDDLIOESA-N 0 0 289.394 4.845 40 30 CJEBRN Cc1cc(NC=C2C[C@@H](C(C)(C)C)CCC2=O)ccc1F ZINC000033666636 567094758 /nfs/dbraw/zinc/09/47/58/567094758.db2.gz QHVARNBMAXMERZ-CMPYXILNSA-N 0 0 289.394 4.845 40 30 CJEBRN CCc1ccc(C(=O)C=CNc2ccc(F)c(C)c2)cc1 ZINC000033680796 567096367 /nfs/dbraw/zinc/09/63/67/567096367.db2.gz KAHOFXZPEOSCJS-ZHACJKMWSA-N 0 0 283.346 4.505 40 30 CJEBRN CC(C)c1ccc(NC=C2CCCCCC2=O)cc1 ZINC000033717366 567096484 /nfs/dbraw/zinc/09/64/84/567096484.db2.gz LUOHPKGUSYRDEI-NTCAYCPXSA-N 0 0 257.377 4.639 40 30 CJEBRN N#Cc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000033734844 171819435 /nfs/dbraw/zinc/81/94/35/171819435.db2.gz CFHGUJGTTWYQOO-UHFFFAOYSA-N 0 0 296.128 4.583 40 30 CJEBRN CCCC[C@@H](CC)[C@@H](O)/C(=N\O)[C@@H](CC)CCCC ZINC000033839119 570316107 /nfs/dbraw/zinc/31/61/07/570316107.db2.gz SLCANKHLTWZHRV-VUOJNIGQSA-N 0 0 271.445 4.610 40 30 CJEBRN CCCC[C@H](CC)/C(=N/O)[C@H](O)[C@@H](CC)CCCC ZINC000033839120 521154014 /nfs/dbraw/zinc/15/40/14/521154014.db2.gz SLCANKHLTWZHRV-SGXQQMPMSA-N 0 0 271.445 4.610 40 30 CJEBRN Cc1ccc(/N=C/c2cc(F)c(N3CCCC3)cc2C)cc1 ZINC000033899787 567095723 /nfs/dbraw/zinc/09/57/23/567095723.db2.gz MULMZIOHNMOKQH-FYJGNVAPSA-N 0 0 296.389 4.793 40 30 CJEBRN C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)C=C[C@]3(C)[C@H]1CC2 ZINC000034215381 570316024 /nfs/dbraw/zinc/31/60/24/570316024.db2.gz LYQLGOGKDQKQAX-QYXZOKGRSA-N 0 0 272.432 4.764 40 30 in-vitro CJEBRN C[C@@]12CCC[C@H]1[C@@H]1C(=O)C=C3CCCC[C@]3(C)[C@H]1CC2 ZINC000034215383 567059483 /nfs/dbraw/zinc/05/94/83/567059483.db2.gz ZGSPYMZVGOJUKV-FQQAFBJJSA-N 0 0 272.432 4.908 40 30 CJEBRN CCC(=NN=c1[nH]c2ccccc2s1)c1ccccc1 ZINC000035418427 172190469 /nfs/dbraw/zinc/19/04/69/172190469.db2.gz YGFAFNGEASCYHE-AQTBWJFISA-N 0 0 281.384 4.523 40 30 CJEBRN O=C(/C=C/Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000035586089 172285023 /nfs/dbraw/zinc/28/50/23/172285023.db2.gz SYWDWGXBYYKRTF-CMDGGOBGSA-N 0 0 292.762 4.968 40 30 CJEBRN C[C@@H]1C(=O)/C(=C/c2ccc(Cl)cc2)[C@H]2C[C@@H]1C2(C)C ZINC000035877704 567860905 /nfs/dbraw/zinc/86/09/05/567860905.db2.gz PXJGEAZXDDGPDF-OPRDISBBSA-N 0 0 274.791 4.605 40 30 CJEBRN N#Cc1c(Cl)nsc1-c1cc(Cl)cc(Cl)c1 ZINC000035973676 570233158 /nfs/dbraw/zinc/23/31/58/570233158.db2.gz YIIJLVBCKWWSIV-UHFFFAOYSA-N 0 0 289.574 4.642 40 30 CJEBRN C=CCOc1ccccc1CNc1cc(Cl)ccc1C ZINC000037184656 567917274 /nfs/dbraw/zinc/91/72/74/567917274.db2.gz DMFQXGPBMMPARA-UHFFFAOYSA-N 0 0 287.790 4.825 40 30 CJEBRN C=CCOc1ccccc1CNc1ccc(C)c(Cl)c1 ZINC000037188448 260073550 /nfs/dbraw/zinc/07/35/50/260073550.db2.gz RRSJJXQJTJEGID-UHFFFAOYSA-N 0 0 287.790 4.825 40 30 CJEBRN C=CCOc1ccccc1CNc1cccc(Cl)c1C ZINC000037196606 326840800 /nfs/dbraw/zinc/84/08/00/326840800.db2.gz HRASOTKOJMMBMN-UHFFFAOYSA-N 0 0 287.790 4.825 40 30 CJEBRN Oc1c(/C=N/c2ccc(F)c(F)c2)ccc2ccccc12 ZINC000038163282 567095923 /nfs/dbraw/zinc/09/59/23/567095923.db2.gz FTTVBRPXQPKQOC-KEBDBYFISA-N 0 0 283.277 4.574 40 30 CJEBRN CC(C)CCC[C@@H](C)CC1C(=O)C(=O)CC1(C)C ZINC000038280044 174138662 /nfs/dbraw/zinc/13/86/62/174138662.db2.gz CXNIPYROVKGGCD-GFCCVEGCSA-N 0 0 252.398 4.650 40 30 CJEBRN CC(C)CCC[C@H](C)CC1C(=O)C(=O)CC1(C)C ZINC000038280045 174138731 /nfs/dbraw/zinc/13/87/31/174138731.db2.gz CXNIPYROVKGGCD-LBPRGKRZSA-N 0 0 252.398 4.650 40 30 CJEBRN CC(=NN=c1[nH]c2ccccc2s1)c1ccc(C)cc1C ZINC000038367004 570230748 /nfs/dbraw/zinc/23/07/48/570230748.db2.gz FJNTXDJDVZDWON-UYRXBGFRSA-N 0 0 295.411 4.749 40 30 CJEBRN CC(=NN=c1[nH]c2ccccc2s1)c1cc(C)ccc1C ZINC000038367010 570230692 /nfs/dbraw/zinc/23/06/92/570230692.db2.gz RDYCNTQEJDRLKV-UYRXBGFRSA-N 0 0 295.411 4.749 40 30 CJEBRN CC1(C)[C@H]2CC[C@]1(C)/C(=N\OCc1ccc(F)cc1)C2 ZINC000038534230 174144320 /nfs/dbraw/zinc/14/43/20/174144320.db2.gz DOJRVNPEQYTUIW-MUYFYYQASA-N 0 0 275.367 4.545 40 30 CJEBRN CC1(C)/C(=N/N=C2/[C@H]3CC[C@H](C3)C2(C)C)[C@@H]2CC[C@H]1C2 ZINC000038799276 174155585 /nfs/dbraw/zinc/15/55/85/174155585.db2.gz XQRJPTRQKQARPX-PAFBGEADSA-N 0 0 272.436 4.696 40 30 CJEBRN N#Cc1c(Cl)nc2ccccc2c1Nc1ccccc1 ZINC000038980386 174160361 /nfs/dbraw/zinc/16/03/61/174160361.db2.gz SUHXRJQWMNHODH-UHFFFAOYSA-N 0 0 279.730 4.503 40 30 CJEBRN CSC(=Nc1nc2c(cccc2Cl)s1)SC ZINC000039281351 263277942 /nfs/dbraw/zinc/27/79/42/263277942.db2.gz TUWIOBRUZHZJCT-UHFFFAOYSA-N 0 0 288.850 4.663 40 30 CJEBRN C[C@](C/C(=N/O)C1CC1)(SCc1ccccc1)C1CC1 ZINC000040166290 567953123 /nfs/dbraw/zinc/95/31/23/567953123.db2.gz SJIWPIBCFBOLCV-FXBHHXAOSA-N 0 0 289.444 4.719 40 30 CJEBRN C[C@@](C/C(=N/O)C1CC1)(SCc1ccccc1)C1CC1 ZINC000040166291 567952990 /nfs/dbraw/zinc/95/29/90/567952990.db2.gz SJIWPIBCFBOLCV-HMNTXPNISA-N 0 0 289.444 4.719 40 30 CJEBRN CC(C)N=Nc1nc2ccc(-c3ccccc3)cc2s1 ZINC000040542452 174323250 /nfs/dbraw/zinc/32/32/50/174323250.db2.gz AKCXMSLEOKKHQT-UHFFFAOYSA-N 0 0 281.384 4.771 40 30 CJEBRN N#Cc1c(Cl)nccc1-c1ccc(Cl)c(Cl)c1 ZINC000041441697 174553608 /nfs/dbraw/zinc/55/36/08/174553608.db2.gz ZLMUXBPDVRSCTA-UHFFFAOYSA-N 0 0 283.545 4.580 40 30 CJEBRN C#CCOC(=O)/C=C(C)/C=C\C[C@H](C)CCCC(C)C ZINC000043065314 174961299 /nfs/dbraw/zinc/96/12/99/174961299.db2.gz FZRBKIRIBLNOAM-QTTNRHGCSA-N 0 0 276.420 4.518 40 30 CJEBRN C=CC[C@@]1(C)[C@]2(C)N=N[C@@]1(c1ccccc1)[C@H]1C=C[C@H]12 ZINC000045071037 567923543 /nfs/dbraw/zinc/92/35/43/567923543.db2.gz BQTCKOZDRUVYRM-ICUGJSFKSA-N 0 0 264.372 4.505 40 30 CJEBRN C=CC[C@]1(C)[C@]2(C)N=N[C@@]1(c1ccccc1)[C@H]1C=C[C@H]12 ZINC000045071039 260649288 /nfs/dbraw/zinc/64/92/88/260649288.db2.gz BQTCKOZDRUVYRM-ILOCAZANSA-N 0 0 264.372 4.505 40 30 CJEBRN N#Cc1ccc(-c2nc3ccc(F)cc3s2)cc1Cl ZINC000045923314 175386898 /nfs/dbraw/zinc/38/68/98/175386898.db2.gz AIQFCSHRJGBYRS-UHFFFAOYSA-N 0 0 288.734 4.627 40 30 CJEBRN Cc1ccsc1/C=C/C(=O)c1ccccc1Cl ZINC000049524868 525816427 /nfs/dbraw/zinc/81/64/27/525816427.db2.gz YYOSGUNJRLPCOF-VOTSOKGWSA-N 0 0 262.761 4.606 40 30 CJEBRN CCC(C)N=Nc1nc2c(cccc2C(F)(F)F)s1 ZINC000057327453 566979922 /nfs/dbraw/zinc/97/99/22/566979922.db2.gz CEYKXEANIVXMIU-IDUWFGFVSA-N 0 0 287.310 4.513 40 30 CJEBRN CCC(C)N=Nc1nc2cc(C(F)(F)F)ccc2s1 ZINC000057327569 566980147 /nfs/dbraw/zinc/98/01/47/566980147.db2.gz PSUREHBQNVFATO-IDUWFGFVSA-N 0 0 287.310 4.513 40 30 CJEBRN CSC(=Nc1nc2c(cc(C)cc2C)s1)SC ZINC000057352483 566979632 /nfs/dbraw/zinc/97/96/32/566979632.db2.gz PJBRRNCNIRSFNH-UHFFFAOYSA-N 0 0 282.459 4.627 40 30 CJEBRN CSC(=Nc1nc2cc(Cl)ccc2s1)SC ZINC000057352486 566980010 /nfs/dbraw/zinc/98/00/10/566980010.db2.gz JWTUEGIWCMBYSG-UHFFFAOYSA-N 0 0 288.850 4.663 40 30 CJEBRN CSC(=Nc1nc2ccc(Cl)cc2s1)SC ZINC000057352487 566979390 /nfs/dbraw/zinc/97/93/90/566979390.db2.gz QZDMXDGBQPIJEL-UHFFFAOYSA-N 0 0 288.850 4.663 40 30 CJEBRN CSC(=Nc1nc2c(s1)c(C)ccc2C)SC ZINC000057352500 566979240 /nfs/dbraw/zinc/97/92/40/566979240.db2.gz MVSWMSGMELJFNE-UHFFFAOYSA-N 0 0 282.459 4.627 40 30 CJEBRN CCC(=NNc1ccc2ccccc2n1)c1ccc(F)cc1 ZINC000057411561 520177829 /nfs/dbraw/zinc/17/78/29/520177829.db2.gz GFWGCENRKPZUJY-PGMHBOJBSA-N 0 0 293.345 4.600 40 30 CJEBRN CCOc1ccccc1/C=C/C(=O)c1ccccc1Cl ZINC000058732738 567896460 /nfs/dbraw/zinc/89/64/60/567896460.db2.gz ZZOQYVZHFIRYRZ-VAWYXSNFSA-N 0 0 286.758 4.635 40 30 CJEBRN CCOc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 ZINC000058732741 567896331 /nfs/dbraw/zinc/89/63/31/567896331.db2.gz FQKHUBLVPCQPBQ-FMIVXFBMSA-N 0 0 286.758 4.635 40 30 CJEBRN CC(C)(C)c1ccc(/C=N\c2ccc(F)cc2)cc1 ZINC000058883373 567956307 /nfs/dbraw/zinc/95/63/07/567956307.db2.gz SQZBNPSEKQVQCS-UNOMPAQXSA-N 0 0 255.336 4.874 40 30 CJEBRN CCCCCCCCOc1c(Cl)cc(C=O)cc1OC ZINC000059055091 567956169 /nfs/dbraw/zinc/95/61/69/567956169.db2.gz UZRGISDGRRYMFT-UHFFFAOYSA-N 0 0 298.810 4.900 40 30 CJEBRN CCCCCCCOc1cccc(Br)c1 ZINC000059089354 567956398 /nfs/dbraw/zinc/95/63/98/567956398.db2.gz XFXJWARMFKJKMR-UHFFFAOYSA-N 0 0 271.198 4.798 40 30 CJEBRN CCCCCCCOc1ccccc1Br ZINC000059089356 520065899 /nfs/dbraw/zinc/06/58/99/520065899.db2.gz POTQPVYKVKFJGD-UHFFFAOYSA-N 0 0 271.198 4.798 40 30 CJEBRN COc1ccc(-n2cccc2/C=N/c2ccc(C)cc2)cc1 ZINC000059104948 567956417 /nfs/dbraw/zinc/95/64/17/567956417.db2.gz BGIWNVLZRRAXCP-XSFVSMFZSA-N 0 0 290.366 4.545 40 30 CJEBRN CCCCCCCCCCc1cc(O)ccc1O ZINC000059129999 567896493 /nfs/dbraw/zinc/89/64/93/567896493.db2.gz BXUOVJDNORSWHO-UHFFFAOYSA-N 0 0 250.382 4.781 40 30 CJEBRN CCCCCCCCOc1ccc(Cl)cc1C=O ZINC000059131269 567956328 /nfs/dbraw/zinc/95/63/28/567956328.db2.gz DUVPNEZCPYKKCT-UHFFFAOYSA-N 0 0 268.784 4.892 40 30 CJEBRN CCCCc1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1 ZINC000059138144 262387022 /nfs/dbraw/zinc/38/70/22/262387022.db2.gz ZXYVINKDLHNHDW-HMMYKYKNSA-N 0 0 296.414 4.973 40 30 CJEBRN Cc1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1Cl ZINC000059138152 262386860 /nfs/dbraw/zinc/38/68/60/262386860.db2.gz MPFNYMPYSKVJEI-WOJGMQOQSA-N 0 0 288.778 4.592 40 30 CJEBRN C(=N/c1cccc2ccccc21)\c1ccc(N2CCCC2)o1 ZINC000059138516 262387087 /nfs/dbraw/zinc/38/70/87/262387087.db2.gz PURKMHZCQXOTHB-XSFVSMFZSA-N 0 0 290.366 4.784 40 30 CJEBRN CC(C)c1ccc(/N=C/c2ccc(N3CCCC3)o2)cc1 ZINC000059138616 262386937 /nfs/dbraw/zinc/38/69/37/262386937.db2.gz VHUVMPDPOLSNBT-CPNJWEJPSA-N 0 0 282.387 4.754 40 30 CJEBRN CC(C)c1ccccc1/N=C/c1ccc(N2CCCC2)o1 ZINC000059138621 262386971 /nfs/dbraw/zinc/38/69/71/262386971.db2.gz ZOHGMKYLVFWEBP-CPNJWEJPSA-N 0 0 282.387 4.754 40 30 CJEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(N2CCCC2)o1 ZINC000059138670 262386966 /nfs/dbraw/zinc/38/69/66/262386966.db2.gz CLYPBMWZYYVSMK-WOJGMQOQSA-N 0 0 288.778 4.592 40 30 CJEBRN Cc1c(Cl)cccc1/N=C/c1ccc(N2CCCC2)o1 ZINC000059138677 262386824 /nfs/dbraw/zinc/38/68/24/262386824.db2.gz BLPQDQHZKJYYKR-WOJGMQOQSA-N 0 0 288.778 4.592 40 30 CJEBRN Clc1ccc(-n2cccc2/C=N/c2ccccc2)cc1 ZINC000059247974 262387648 /nfs/dbraw/zinc/38/76/48/262387648.db2.gz DXQNLZMZRMEFDM-CPNJWEJPSA-N 0 0 280.758 4.881 40 30 CJEBRN Oc1ccc(/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000059248452 262387263 /nfs/dbraw/zinc/38/72/63/262387263.db2.gz JFOLPDSURMGXFI-XDHOZWIPSA-N 0 0 296.757 4.587 40 30 CJEBRN Clc1cccc(/N=C/c2cccn2-c2ccccc2)c1 ZINC000059248866 262387570 /nfs/dbraw/zinc/38/75/70/262387570.db2.gz SDOGDUIKZBFJIG-CPNJWEJPSA-N 0 0 280.758 4.881 40 30 CJEBRN Cc1c(/C=N/c2ccc(Cl)cc2O)c2ccccc2n1C ZINC000059248867 262387599 /nfs/dbraw/zinc/38/75/99/262387599.db2.gz TUBPFVQYSMSJCU-VXLYETTFSA-N 0 0 298.773 4.596 40 30 CJEBRN CCOc1cccc(/N=C/c2c(C)n(C)c3ccccc23)c1 ZINC000059249263 262387573 /nfs/dbraw/zinc/38/75/73/262387573.db2.gz KBKAARRWKYGLCS-DEDYPNTBSA-N 0 0 292.382 4.636 40 30 CJEBRN CSc1ccccc1/N=C/c1cccn1-c1ccccc1 ZINC000059301947 256795944 /nfs/dbraw/zinc/79/59/44/256795944.db2.gz HWJPTYJANVDHAB-XMHGGMMESA-N 0 0 292.407 4.950 40 30 CJEBRN Cc1c(/C=N/c2cccc(C)c2)c2ccccc2n1C ZINC000059302900 567956296 /nfs/dbraw/zinc/95/62/96/567956296.db2.gz SUCXGCFBLXDTNQ-XDHOZWIPSA-N 0 0 262.356 4.546 40 30 CJEBRN O=C(/C=C/c1c(Cl)cccc1Cl)c1cccs1 ZINC000059435662 567956269 /nfs/dbraw/zinc/95/62/69/567956269.db2.gz WBLPXLVNASOTPP-VOTSOKGWSA-N 0 0 283.179 4.951 40 30 CJEBRN Cc1ccccc1/C=N/c1sc2c(c1C#N)CCCC2 ZINC000059459987 567956248 /nfs/dbraw/zinc/95/62/48/567956248.db2.gz ZCUCIDRGPWXUDP-YBFXNURJSA-N 0 0 280.396 4.558 40 30 CJEBRN CCCCCCCCCCOS(=O)(=O)c1ccccc1 ZINC000059479172 567930953 /nfs/dbraw/zinc/93/09/53/567930953.db2.gz PUBNPKMXGRPTQT-UHFFFAOYSA-N 0 0 298.448 4.533 40 30 CJEBRN CCC(=CC(=O)c1ccc(OC)cc1)Nc1cccc(C)c1 ZINC000059489062 262389457 /nfs/dbraw/zinc/38/94/57/262389457.db2.gz WTXOHUBJAZHPAD-DTQAZKPQSA-N 0 0 295.382 4.592 40 30 CJEBRN O=[N+]([O-])c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1 ZINC000059513706 262390472 /nfs/dbraw/zinc/39/04/72/262390472.db2.gz CLQOXORIPRRABS-LZYBPNLTSA-N 0 0 295.125 4.652 40 30 CJEBRN Cc1ccc(C)c(/N=C/c2ccc(Br)cc2)c1 ZINC000059513710 262390386 /nfs/dbraw/zinc/39/03/86/262390386.db2.gz FMKOJKHKJPJMAX-LICLKQGHSA-N 0 0 288.188 4.817 40 30 CJEBRN Cc1ccc(/N=C/c2ccc(Br)cc2)c(C)c1 ZINC000059518954 262390348 /nfs/dbraw/zinc/39/03/48/262390348.db2.gz SNVQFGJYLJCWMM-LICLKQGHSA-N 0 0 288.188 4.817 40 30 CJEBRN CCCCCCCOc1ccc(-c2csc(N)n2)cc1 ZINC000059600112 567896797 /nfs/dbraw/zinc/89/67/97/567896797.db2.gz JPMUPKFSMLFSNN-UHFFFAOYSA-N 0 0 290.432 4.742 40 30 CJEBRN CCCCCCCCOc1ccc(OCCCCO)cc1 ZINC000059608569 567896978 /nfs/dbraw/zinc/89/69/78/567896978.db2.gz KCODYHGGQHPQOG-UHFFFAOYSA-N 0 0 294.435 4.577 40 30 CJEBRN CCCCCCCCCCC(=O)c1cc(O)ccc1O ZINC000059608670 519981565 /nfs/dbraw/zinc/98/15/65/519981565.db2.gz DVLKUZYLMXCLJK-UHFFFAOYSA-N 0 0 278.392 4.811 40 30 CJEBRN C=CCc1cc(/C=N/c2ccc(C)cc2)cc(OCC)c1O ZINC000059678600 262391338 /nfs/dbraw/zinc/39/13/38/262391338.db2.gz GUBJHCUTEAVVNJ-DEDYPNTBSA-N 0 0 295.382 4.578 40 30 CJEBRN Cc1c(/C=N/c2ccccc2C)c2ccccc2n1C ZINC000059678778 262391232 /nfs/dbraw/zinc/39/12/32/262391232.db2.gz RCIJQEWEPJEBAD-XDHOZWIPSA-N 0 0 262.356 4.546 40 30 CJEBRN Clc1ccc(-n2cccc2C=NNc2ccccc2)cc1 ZINC000059678794 262391345 /nfs/dbraw/zinc/39/13/45/262391345.db2.gz GIAKVWLNNSFFET-CPNJWEJPSA-N 0 0 295.773 4.577 40 30 CJEBRN Cc1ccc(/N=C/c2cccn2-c2ccccc2)cc1C ZINC000059678829 262391357 /nfs/dbraw/zinc/39/13/57/262391357.db2.gz IIIDYYOCDCURGY-XSFVSMFZSA-N 0 0 274.367 4.845 40 30 CJEBRN Cc1c(/C=N/c2ccccc2Cl)c2ccccc2n1C ZINC000059679002 262391254 /nfs/dbraw/zinc/39/12/54/262391254.db2.gz NBUSEMPJWHPBAG-YBFXNURJSA-N 0 0 282.774 4.891 40 30 CJEBRN Cc1c(/C=N/c2ccc(Cl)cc2)c2ccccc2n1C ZINC000059679258 262391288 /nfs/dbraw/zinc/39/12/88/262391288.db2.gz UFSUBRZTFVJKIM-YBFXNURJSA-N 0 0 282.774 4.891 40 30 CJEBRN Cc1c(/C=N/c2cc(C)ccc2C)c2ccccc2n1C ZINC000059679283 262391407 /nfs/dbraw/zinc/39/14/07/262391407.db2.gz UJTAQWCHXSVVFB-UDWIEESQSA-N 0 0 276.383 4.854 40 30 CJEBRN CCCCCCCCCCSc1ncnc2[nH]cnc21 ZINC000059702749 567947000 /nfs/dbraw/zinc/94/70/00/567947000.db2.gz IZEYPLNZOVRJBO-UHFFFAOYSA-N 0 0 292.452 4.586 40 30 CJEBRN CCCCCCCCCCCC(=O)NCCCC ZINC000059894762 567896940 /nfs/dbraw/zinc/89/69/40/567896940.db2.gz NTHVNXBUGUHNAH-UHFFFAOYSA-N 0 0 255.446 4.824 40 30 CJEBRN CC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000062153341 570413212 /nfs/dbraw/zinc/41/32/12/570413212.db2.gz IBHZEMFCIGDNOC-VOTSOKGWSA-N 0 0 286.758 4.521 40 30 CJEBRN C[C@@H](Cc1ccccc1)S[C@H](S)Cc1ccccc1 ZINC000064220182 567897934 /nfs/dbraw/zinc/89/79/34/567897934.db2.gz NWAKMUUFTYKLNP-YOEHRIQHSA-N 0 0 288.481 4.849 40 30 CJEBRN C[C@H](Cc1ccccc1)S[C@H](S)Cc1ccccc1 ZINC000064220183 567898111 /nfs/dbraw/zinc/89/81/11/567898111.db2.gz NWAKMUUFTYKLNP-PBHICJAKSA-N 0 0 288.481 4.849 40 30 CJEBRN C[C@@H](Cc1ccccc1)S[C@@H](S)Cc1ccccc1 ZINC000064220184 567897936 /nfs/dbraw/zinc/89/79/36/567897936.db2.gz NWAKMUUFTYKLNP-WMLDXEAASA-N 0 0 288.481 4.849 40 30 CJEBRN C[C@H](Cc1ccccc1)S[C@@H](S)Cc1ccccc1 ZINC000064220185 567897971 /nfs/dbraw/zinc/89/79/71/567897971.db2.gz NWAKMUUFTYKLNP-RHSMWYFYSA-N 0 0 288.481 4.849 40 30 CJEBRN CCCCCCCCCCCC(=O)OCC[NH+](CC)CC ZINC000064436806 567898082 /nfs/dbraw/zinc/89/80/82/567898082.db2.gz UNWMSJSGBWRHNY-UHFFFAOYSA-N 0 0 299.499 4.792 40 30 CJEBRN CC(C)c1cc(Br)cc(C(C)C)c1C#N ZINC000067802555 570394202 /nfs/dbraw/zinc/39/42/02/570394202.db2.gz YPULLLUAICWTFT-UHFFFAOYSA-N 0 0 266.182 4.568 40 30 CJEBRN C/C(=N\c1ccccc1Cl)c1cc2ccccc2oc1=O ZINC000068601518 518473474 /nfs/dbraw/zinc/47/34/74/518473474.db2.gz OJJVENPUYMIHKW-YBFXNURJSA-N 0 0 297.741 4.587 40 30 CJEBRN C/C(=N\c1ccc(Cl)cc1)c1cc2ccccc2oc1=O ZINC000068601522 518472415 /nfs/dbraw/zinc/47/24/15/518472415.db2.gz JURSPLDSXNWLNZ-YBFXNURJSA-N 0 0 297.741 4.587 40 30 CJEBRN CCCCCCCCCc1cc(=O)c2ccccc2[nH]1 ZINC000070455165 329855699 /nfs/dbraw/zinc/85/56/99/329855699.db2.gz KKRXDNYRUZGPFM-UHFFFAOYSA-N 0 0 271.404 4.821 40 30 biogenic,in-vitro CJEBRN N#Cc1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 ZINC000070461242 567118562 /nfs/dbraw/zinc/11/85/62/567118562.db2.gz FSFPYKVVVGGQMQ-UHFFFAOYSA-N 0 0 272.518 4.778 40 30 CJEBRN CCCCc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1 ZINC000071617300 567901432 /nfs/dbraw/zinc/90/14/32/567901432.db2.gz LFLVYHVGNKJGBV-ZROIWOOFSA-N 0 0 280.367 4.631 40 30 CJEBRN CCCC/C=C\C(F)(F)C(F)(F)C(F)(F)F ZINC000071618589 567095377 /nfs/dbraw/zinc/09/53/77/567095377.db2.gz DZBBLQUHQSLWOV-WAYWQWQTSA-N 0 0 252.173 4.566 40 30 CJEBRN CCCC/C=C\C(F)(C(F)(F)F)C(F)(F)F ZINC000071790008 260274032 /nfs/dbraw/zinc/27/40/32/260274032.db2.gz SEPVIDCBWMJUEC-WAYWQWQTSA-N 0 0 252.173 4.566 40 30 CJEBRN CCc1ccc(C(=O)/C=C/c2sccc2C)cc1 ZINC000071976890 176307025 /nfs/dbraw/zinc/30/70/25/176307025.db2.gz DQBOTAYMSSHIEM-CMDGGOBGSA-N 0 0 256.370 4.515 40 30 CJEBRN CCc1ccc(C(=O)/C=C/c2ccc(C)s2)cc1 ZINC000071976901 176306902 /nfs/dbraw/zinc/30/69/02/176306902.db2.gz CYRDCIUDGMTPAJ-ZHACJKMWSA-N 0 0 256.370 4.515 40 30 CJEBRN Cc1ccc(/C=C/C(=O)c2ccc(Cl)cc2Cl)o1 ZINC000071976923 176306776 /nfs/dbraw/zinc/30/67/76/176306776.db2.gz KZUVAHUINJJJMQ-FNORWQNLSA-N 0 0 281.138 4.791 40 30 CJEBRN Cc1ccc(/C=C/C(=O)c2cc(Cl)ccc2Cl)o1 ZINC000071976965 176306781 /nfs/dbraw/zinc/30/67/81/176306781.db2.gz QCYUMDLHSMJQDV-FNORWQNLSA-N 0 0 281.138 4.791 40 30 CJEBRN O=C(/C=C/c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000071976989 176306860 /nfs/dbraw/zinc/30/68/60/176306860.db2.gz ZAEJRVCUOPUWCC-RMKNXTFCSA-N 0 0 277.150 4.890 40 30 CJEBRN CCOc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 ZINC000071976992 176307015 /nfs/dbraw/zinc/30/70/15/176307015.db2.gz VYSDLAVOCCZJPL-DHZHZOJOSA-N 0 0 286.758 4.635 40 30 CJEBRN Cc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 ZINC000071976995 176306998 /nfs/dbraw/zinc/30/69/98/176306998.db2.gz MANHPEVVGDOOJE-MDZDMXLPSA-N 0 0 256.732 4.545 40 30 CJEBRN O=C(/C=C/c1cccc(Cl)c1)c1cccc(Cl)c1 ZINC000071977003 176306800 /nfs/dbraw/zinc/30/68/00/176306800.db2.gz DLOUSFCJLZEVQJ-BQYQJAHWSA-N 0 0 277.150 4.890 40 30 CJEBRN Cc1cccc(/C=C/C(=O)c2cccc(Cl)c2)c1 ZINC000071977006 176306871 /nfs/dbraw/zinc/30/68/71/176306871.db2.gz RETGEVSBUQLKDG-CMDGGOBGSA-N 0 0 256.732 4.545 40 30 CJEBRN CCc1ccc(/C=C/C(=O)c2cccc(Cl)c2)cc1 ZINC000071977013 176306793 /nfs/dbraw/zinc/30/67/93/176306793.db2.gz GNECZARGMACMRO-ZHACJKMWSA-N 0 0 270.759 4.799 40 30 CJEBRN CCOc1ccccc1/C=C/C(=O)c1cccc(Cl)c1 ZINC000071977016 567902779 /nfs/dbraw/zinc/90/27/79/567902779.db2.gz REWZUIUKHVDXSS-ZHACJKMWSA-N 0 0 286.758 4.635 40 30 CJEBRN CCOc1ccc(C(=O)/C=C/c2ccc(CC)cc2)cc1 ZINC000071977039 176306846 /nfs/dbraw/zinc/30/68/46/176306846.db2.gz LCCGFIBKEYROFF-NTEUORMPSA-N 0 0 280.367 4.544 40 30 CJEBRN CCc1ccc(/C=C/C(=O)c2ccccc2Cl)cc1 ZINC000071977050 176306804 /nfs/dbraw/zinc/30/68/04/176306804.db2.gz SBAWPMCDJXSKMZ-VAWYXSNFSA-N 0 0 270.759 4.799 40 30 CJEBRN COc1cccc(C(=O)/C=C/c2ccc(C(C)C)cc2)c1 ZINC000071977055 176306821 /nfs/dbraw/zinc/30/68/21/176306821.db2.gz CKVJZMWBLYMMST-FMIVXFBMSA-N 0 0 280.367 4.715 40 30 CJEBRN Cc1ccc(/C=C/C(=O)c2ccc(Cl)c(Cl)c2)o1 ZINC000071977082 176306868 /nfs/dbraw/zinc/30/68/68/176306868.db2.gz ZQBPINLHHFEZII-FNORWQNLSA-N 0 0 281.138 4.791 40 30 CJEBRN CCOc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1 ZINC000071977096 176306780 /nfs/dbraw/zinc/30/67/80/176306780.db2.gz RLHVHCVHSLEKGL-XYOKQWHBSA-N 0 0 280.367 4.598 40 30 CJEBRN Cc1ccsc1/C=C/C(=O)c1ccc(C)cc1C ZINC000071977103 176307028 /nfs/dbraw/zinc/30/70/28/176307028.db2.gz XAUJEWZDZJTWPO-VOTSOKGWSA-N 0 0 256.370 4.569 40 30 CJEBRN Cc1ccc(C(=O)/C=C/c2cccc(Cl)c2)c(C)c1 ZINC000071977104 176306777 /nfs/dbraw/zinc/30/67/77/176306777.db2.gz LBTSOYYRBPZRGX-VQHVLOKHSA-N 0 0 270.759 4.853 40 30 CJEBRN Cc1ccc(C(=O)/C=C/c2ccccc2C)c(C)c1 ZINC000071977105 176307001 /nfs/dbraw/zinc/30/70/01/176307001.db2.gz HQJHXKWPFITNJY-PKNBQFBNSA-N 0 0 250.341 4.508 40 30 CJEBRN Cc1ccc(C(=O)/C=C/c2cccc(C)c2)c(C)c1 ZINC000071977106 176306938 /nfs/dbraw/zinc/30/69/38/176306938.db2.gz COKRFTWJMTZEQD-CSKARUKUSA-N 0 0 250.341 4.508 40 30 CJEBRN CCc1ccc(/C=C/C(=O)c2ccc(C)cc2C)cc1 ZINC000071977113 176306891 /nfs/dbraw/zinc/30/68/91/176306891.db2.gz NJBJWANKJRVNPW-ZRDIBKRKSA-N 0 0 264.368 4.762 40 30 CJEBRN CCOc1ccccc1/C=C/C(=O)c1ccc(C)cc1C ZINC000071977115 521448928 /nfs/dbraw/zinc/44/89/28/521448928.db2.gz PCKAEWJMWPLSSH-ZRDIBKRKSA-N 0 0 280.367 4.598 40 30 CJEBRN Cc1ccc(C(=O)/C=C/c2c(F)cccc2Cl)c(C)c1 ZINC000071977117 176306927 /nfs/dbraw/zinc/30/69/27/176306927.db2.gz AGHRPJXIIKCIAI-CMDGGOBGSA-N 0 0 288.749 4.992 40 30 CJEBRN Cc1ccccc1C(=O)/C=C/c1ccccc1Cl ZINC000071977129 176306959 /nfs/dbraw/zinc/30/69/59/176306959.db2.gz JIWIEFAVWOKYOG-ZHACJKMWSA-N 0 0 256.732 4.545 40 30 CJEBRN Cc1ccccc1C(=O)/C=C/c1cccc(Cl)c1 ZINC000071977135 176306866 /nfs/dbraw/zinc/30/68/66/176306866.db2.gz UIELOQCHMQUQEU-MDZDMXLPSA-N 0 0 256.732 4.545 40 30 CJEBRN Cc1ccccc1C(=O)/C=C/c1c(F)cccc1Cl ZINC000071977145 176306921 /nfs/dbraw/zinc/30/69/21/176306921.db2.gz UNNHKPQHNQNKMR-MDZDMXLPSA-N 0 0 274.722 4.684 40 30 CJEBRN Cc1cccc(C(=O)/C=C/c2ccccc2Cl)c1 ZINC000071977170 176306833 /nfs/dbraw/zinc/30/68/33/176306833.db2.gz PESJESZEDMCTNY-MDZDMXLPSA-N 0 0 256.732 4.545 40 30 CJEBRN Cc1cccc(C(=O)/C=C/c2c(F)cccc2Cl)c1 ZINC000071977185 176306835 /nfs/dbraw/zinc/30/68/35/176306835.db2.gz OZBXWHOJJMAPHC-CMDGGOBGSA-N 0 0 274.722 4.684 40 30 CJEBRN Cc1ccc(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)o1 ZINC000071977221 176306847 /nfs/dbraw/zinc/30/68/47/176306847.db2.gz MMXNQARFOJZULO-DHZHZOJOSA-N 0 0 268.356 4.782 40 30 CJEBRN CCCCCCCCCCCCCC(=O)OC[C@@H]1CO1 ZINC000072399899 567902678 /nfs/dbraw/zinc/90/26/78/567902678.db2.gz WVRMZLGUSWWTOZ-INIZCTEOSA-N 0 0 284.440 4.630 40 30 in-vitro CJEBRN CCCCCCCCCCCCCC(=O)OC[C@H]1CO1 ZINC000072399900 567902683 /nfs/dbraw/zinc/90/26/83/567902683.db2.gz WVRMZLGUSWWTOZ-MRXNPFEDSA-N 0 0 284.440 4.630 40 30 in-vitro CJEBRN CCCCCCCCc1ccc(CCOC(C)=O)cc1 ZINC000072400231 567902670 /nfs/dbraw/zinc/90/26/70/567902670.db2.gz GBRYLJCBBFSRPK-UHFFFAOYSA-N 0 0 276.420 4.695 40 30 in-vitro CJEBRN CCc1cc(C)n(Cc2ccc(Cl)c(Cl)c2)c1C#N ZINC000078405365 177338492 /nfs/dbraw/zinc/33/84/92/177338492.db2.gz DZQXXAYQRHSFSA-UHFFFAOYSA-N 0 0 293.197 4.586 40 30 CJEBRN N#Cc1cc2c(cc1C#N)Oc1ccc3ccccc3c1C=C2 ZINC000078546286 260300741 /nfs/dbraw/zinc/30/07/41/260300741.db2.gz SHMGRSUSZYIPPA-UHFFFAOYSA-N 0 0 294.313 4.859 40 30 CJEBRN CCCCCCCOc1ccc(C(F)(F)F)cc1N ZINC000080232695 520064071 /nfs/dbraw/zinc/06/40/71/520064071.db2.gz FYXPPHUCTIFTQD-UHFFFAOYSA-N 0 0 275.314 4.637 40 30 CJEBRN CCCCCCCCCCCCCCOCCO ZINC000085733754 179133733 /nfs/dbraw/zinc/13/37/33/179133733.db2.gz QHERURXKGFABNZ-UHFFFAOYSA-N 0 0 258.446 4.696 40 30 CJEBRN CCCCCCCCCCCCCC[C@H](O)C(=O)OC ZINC000085858171 179189927 /nfs/dbraw/zinc/18/99/27/179189927.db2.gz LQZITXGTIYKQBJ-INIZCTEOSA-N 0 0 286.456 4.612 40 30 CJEBRN CCCCCCCCCCCCCC[C@@H](O)C(=O)OC ZINC000085858176 179190194 /nfs/dbraw/zinc/19/01/94/179190194.db2.gz LQZITXGTIYKQBJ-MRXNPFEDSA-N 0 0 286.456 4.612 40 30 CJEBRN Oc1ccc2ccccc2c1/C=N\c1cccc(Cl)c1 ZINC000086053381 179223712 /nfs/dbraw/zinc/22/37/12/179223712.db2.gz NAOHNCHHOYHAPA-ODLFYWEKSA-N 0 0 281.742 4.949 40 30 CJEBRN CN(C)c1ccc(/C=N/c2cc(Cl)ccc2Cl)cc1 ZINC000086053387 179223663 /nfs/dbraw/zinc/22/36/63/179223663.db2.gz WPONCOUMKNSQJX-VCHYOVAHSA-N 0 0 293.197 4.810 40 30 CJEBRN CC(C)(C)c1ccc(OCc2ccccc2)c(CC#N)c1 ZINC000091301851 180129234 /nfs/dbraw/zinc/12/92/34/180129234.db2.gz 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291.350 4.695 40 30 CJEBRN CCOc1ccccc1/N=C\c1c(O)ccc2ccccc21 ZINC000096006207 185062709 /nfs/dbraw/zinc/06/27/09/185062709.db2.gz SIDYFSJXSZAOMQ-MOSHPQCFSA-N 0 0 291.350 4.695 40 30 CJEBRN C(=N/c1ccccc1-c1nc2ccccc2[nH]1)\c1ccco1 ZINC000096430090 567931832 /nfs/dbraw/zinc/93/18/32/567931832.db2.gz DFGDZPAETPETQE-XDHOZWIPSA-N 0 0 287.322 4.574 40 30 CJEBRN N#Cc1cncc(-c2ccc(Cl)c(Cl)c2)c1Cl ZINC000096510550 567898136 /nfs/dbraw/zinc/89/81/36/567898136.db2.gz XDKYQHVPGDWPLY-UHFFFAOYSA-N 0 0 283.545 4.580 40 30 CJEBRN N#Cc1cc(Cl)c(Cl)nc1-c1ccccc1Cl ZINC000096510641 567897707 /nfs/dbraw/zinc/89/77/07/567897707.db2.gz VHHGBCDLZAIYCC-UHFFFAOYSA-N 0 0 283.545 4.580 40 30 CJEBRN CCCCCCC/C=C/c1cccc(O)c1C(=O)OC ZINC000097976249 528116638 /nfs/dbraw/zinc/11/66/38/528116638.db2.gz ZATVVCGKLIDKBZ-PKNBQFBNSA-N 0 0 276.376 4.553 40 30 CJEBRN CCCCCCCCOC(=O)/C=C\c1ccc(OC)cc1 ZINC000100018923 520040021 /nfs/dbraw/zinc/04/00/21/520040021.db2.gz PCQLCJLFQGMYHD-KAMYIIQDSA-N 0 0 290.403 4.612 40 30 CJEBRN 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/nfs/dbraw/zinc/26/67/60/570266760.db2.gz MCIBZJFAXPOJHU-MRXNPFEDSA-N 0 0 284.440 4.630 40 30 CJEBRN CCCCCCCCC[C@@H](C[C@@H](OC)OCC)OC ZINC000100300663 185711645 /nfs/dbraw/zinc/71/16/45/185711645.db2.gz JWANSQVVYWAKTI-HOTGVXAUSA-N 0 0 274.445 4.541 40 30 CJEBRN CCCCCCCCC[C@H](C[C@@H](OC)OCC)OC ZINC000100300665 567912653 /nfs/dbraw/zinc/91/26/53/567912653.db2.gz JWANSQVVYWAKTI-CVEARBPZSA-N 0 0 274.445 4.541 40 30 CJEBRN CCCCCCCCC[C@@H](C[C@H](OC)OCC)OC ZINC000100300667 567912749 /nfs/dbraw/zinc/91/27/49/567912749.db2.gz JWANSQVVYWAKTI-JKSUJKDBSA-N 0 0 274.445 4.541 40 30 CJEBRN CCCCCCCCC[C@H](C[C@H](OC)OCC)OC ZINC000100300669 567912736 /nfs/dbraw/zinc/91/27/36/567912736.db2.gz JWANSQVVYWAKTI-HZPDHXFCSA-N 0 0 274.445 4.541 40 30 CJEBRN CCCCCCCCCc1[nH]c2ccccc2c(=O)c1O ZINC000100301412 570266750 /nfs/dbraw/zinc/26/67/50/570266750.db2.gz IQZSNBAQPVKMLG-UHFFFAOYSA-N 0 0 287.403 4.939 40 30 in-vitro CJEBRN CCCCCCCCCCCC(=O)N1CCCCC1 ZINC000100302430 519981999 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C/C(=N\c1sc2c(c1C#N)CCCC2)c1ccc(C)o1 ZINC000101559991 185744391 /nfs/dbraw/zinc/74/43/91/185744391.db2.gz FQXZWOFANTVMGB-WOJGMQOQSA-N 0 0 284.384 4.541 40 30 CJEBRN Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc2ccccc2c1 ZINC000101654497 570345119 /nfs/dbraw/zinc/34/51/19/570345119.db2.gz SZQUHVVZXLTZTH-XDHOZWIPSA-N 0 0 290.322 4.807 40 30 CJEBRN CCCCCCCC(=O)c1cc(Cl)ccc1O ZINC000101657507 570345122 /nfs/dbraw/zinc/34/51/22/570345122.db2.gz OCEZARKMSZFANJ-UHFFFAOYSA-N 0 0 254.757 4.589 40 30 CJEBRN COc1ccc(/C=N/c2nc(-c3ccccc3)cs2)cc1 ZINC000101670289 185753247 /nfs/dbraw/zinc/75/32/47/185753247.db2.gz IENOOEUXSAPWPN-WOJGMQOQSA-N 0 0 294.379 4.569 40 30 CJEBRN Clc1ccc(/C=N\c2ccccc2)c(Cl)c1 ZINC000101926208 567915134 /nfs/dbraw/zinc/91/51/34/567915134.db2.gz SINQMFOWBAZMNV-SXGWCWSVSA-N 0 0 250.128 4.744 40 30 CJEBRN CCOc1ccc(/C=N/c2ccc(F)c(Cl)c2)cc1 ZINC000102957946 566958016 /nfs/dbraw/zinc/95/80/16/566958016.db2.gz XKLMMYZKIUFKGX-VCHYOVAHSA-N 0 0 277.726 4.628 40 30 CJEBRN 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185851339 /nfs/dbraw/zinc/85/13/39/185851339.db2.gz HOZLHJIPBBRFGM-UHFFFAOYSA-N 0 0 253.430 4.600 40 30 CJEBRN CCCCCCCCCCCCCOC[C@@H]1CO1 ZINC000103593222 567915680 /nfs/dbraw/zinc/91/56/80/567915680.db2.gz ZCZCZLVSKGCRTD-MRXNPFEDSA-N 0 0 256.430 4.713 40 30 CJEBRN CCCCCCCCCCCCCOC[C@H]1CO1 ZINC000103593225 567915589 /nfs/dbraw/zinc/91/55/89/567915589.db2.gz ZCZCZLVSKGCRTD-INIZCTEOSA-N 0 0 256.430 4.713 40 30 CJEBRN CCCCCCCCOCc1ccc(O)c2ncccc12 ZINC000103601752 567915664 /nfs/dbraw/zinc/91/56/64/567915664.db2.gz LIAHOBMFROLCJL-UHFFFAOYSA-N 0 0 287.403 4.818 40 30 CJEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/O)cc1 ZINC000103850379 230393427 /nfs/dbraw/zinc/39/34/27/230393427.db2.gz BFWOLSHYMSHSGD-UDWIEESQSA-N 0 0 291.350 4.535 40 30 CJEBRN S=c1sc2ccccc2n1/C=N\c1ccccc1 ZINC000104041245 567915746 /nfs/dbraw/zinc/91/57/46/567915746.db2.gz UYSKVWNAIAHCKK-GDNBJRDFSA-N 0 0 270.382 4.640 40 30 CJEBRN CCCCCCCCC(=O)O[C@@H](C)CC[C@@H]1CCCO1 ZINC000104053426 567915940 /nfs/dbraw/zinc/91/59/40/567915940.db2.gz 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Cc1c(/C=N\c2ccc(F)cc2F)c2ccccc2n1C ZINC000408853962 567933374 /nfs/dbraw/zinc/93/33/74/567933374.db2.gz UIXFZFPTYQZOSK-JMIUGGIZSA-N 0 0 284.309 4.516 40 30 CJEBRN CC(C)(C)c1ccc(/N=C\c2ccc(N3CCCC3)o2)cc1 ZINC000408854027 567933484 /nfs/dbraw/zinc/93/34/84/567933484.db2.gz VVKLZKUERJKUJV-ZHZULCJRSA-N 0 0 296.414 4.928 40 30 CJEBRN Cc1ccc(/N=C\c2ccc(N3CCCC3)cc2)cc1C ZINC000408854051 230409998 /nfs/dbraw/zinc/40/99/98/230409998.db2.gz WLGNYPURENGGTO-ZHZULCJRSA-N 0 0 278.399 4.654 40 30 CJEBRN CCc1ccccc1/N=C/c1cccn1-c1ccccc1 ZINC000408854309 567933714 /nfs/dbraw/zinc/93/37/14/567933714.db2.gz CEQVNABIKZAOFL-HMMYKYKNSA-N 0 0 274.367 4.790 40 30 CJEBRN Cc1cc(/C=N/c2ccc(Cl)cc2)ccc1N1CCCC1 ZINC000408854362 567933704 /nfs/dbraw/zinc/93/37/04/567933704.db2.gz DFHMUIHFCXRXMR-DEDYPNTBSA-N 0 0 298.817 4.999 40 30 CJEBRN Oc1ccccc1/N=C\c1cccn1-c1ccc(Cl)cc1 ZINC000408855004 567933468 /nfs/dbraw/zinc/93/34/68/567933468.db2.gz LQYJIFUTQFGOSJ-UNOMPAQXSA-N 0 0 296.757 4.587 40 30 CJEBRN 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C=CCc1cc(/C=N\c2ccccc2C)cc(OCC)c1O ZINC000408857146 567933078 /nfs/dbraw/zinc/93/30/78/567933078.db2.gz NEIZJHCKNAYQKY-MOSHPQCFSA-N 0 0 295.382 4.578 40 30 CJEBRN Clc1ccc(/N=C\c2cccn2-c2ccccc2)cc1 ZINC000408857770 567933233 /nfs/dbraw/zinc/93/32/33/567933233.db2.gz PUROMCBZQCYGDP-UYRXBGFRSA-N 0 0 280.758 4.881 40 30 CJEBRN Fc1ccc(/N=C/c2cccn2-c2ccccc2)c(F)c1 ZINC000408859057 567933617 /nfs/dbraw/zinc/93/36/17/567933617.db2.gz VSDCJFMLASINQU-UDWIEESQSA-N 0 0 282.293 4.506 40 30 CJEBRN C(=N/c1ccc2ncccc2c1)\c1cccn1-c1ccccc1 ZINC000408859489 567933466 /nfs/dbraw/zinc/93/34/66/567933466.db2.gz YAXXBHRQGMSZOD-PXLXIMEGSA-N 0 0 297.361 4.776 40 30 CJEBRN Oc1cc(Cl)ccc1/N=C\c1cccn1-c1ccccc1 ZINC000408859984 567933501 /nfs/dbraw/zinc/93/35/01/567933501.db2.gz WSBNFVUPPVYMKI-UNOMPAQXSA-N 0 0 296.757 4.587 40 30 CJEBRN CCn1cccc1/C=N\c1ccc(-n2c(C)ccc2C)cc1 ZINC000408933176 529546704 /nfs/dbraw/zinc/54/67/04/529546704.db2.gz IDHHMLZJPJKVON-ZHZULCJRSA-N 0 0 291.398 4.666 40 30 CJEBRN Cc1ccsc1C=NNc1ccc(C(F)(F)F)cc1 ZINC000408940666 567933365 /nfs/dbraw/zinc/93/33/65/567933365.db2.gz VFSYNRFNYRPLJS-IUXPMGMMSA-N 0 0 284.306 4.521 40 30 CJEBRN FC(F)(F)c1ccc(NN=Cc2ccc(Cl)cc2)cc1 ZINC000408941595 567933498 /nfs/dbraw/zinc/93/34/98/567933498.db2.gz WHNJFEYCSVAYTR-OCKHKDLRSA-N 0 0 298.695 4.805 40 30 CJEBRN COc1ccc(-n2cccc2/C=N\c2cccc(C)c2)cc1 ZINC000408955668 567933509 /nfs/dbraw/zinc/93/35/09/567933509.db2.gz YGHFXXHZNZNPRV-ZHZULCJRSA-N 0 0 290.366 4.545 40 30 CJEBRN Cc1ccc(C)c(/N=C\c2ccc(N3CCCC3)cc2)c1 ZINC000408959635 567933675 /nfs/dbraw/zinc/93/36/75/567933675.db2.gz CHAAISVRQJEMJG-ZHZULCJRSA-N 0 0 278.399 4.654 40 30 CJEBRN Cc1ccc(C)c(/N=C\c2ccc(N3CCCC3)cc2C)c1 ZINC000408959694 230410591 /nfs/dbraw/zinc/41/05/91/230410591.db2.gz DJEQMQKRSSSCJJ-STZFKDTASA-N 0 0 292.426 4.963 40 30 CJEBRN CCc1ccccc1/N=C/c1ccc(N2CCCC2)cc1 ZINC000408959708 567933685 /nfs/dbraw/zinc/93/36/85/567933685.db2.gz DONLDIKWAGFRMR-HMMYKYKNSA-N 0 0 278.399 4.600 40 30 CJEBRN Cc1ccc(/N=C\c2ccc(N3CCCC3)cc2)c(C)c1 ZINC000408959752 567933446 /nfs/dbraw/zinc/93/34/46/567933446.db2.gz FGHYUGOQUURSPL-ZHZULCJRSA-N 0 0 278.399 4.654 40 30 CJEBRN Cc1c(Cl)cccc1/N=C/c1ccc(N2CCCC2)cc1 ZINC000408959758 567933749 /nfs/dbraw/zinc/93/37/49/567933749.db2.gz FIELBMGJRMTAKL-DEDYPNTBSA-N 0 0 298.817 4.999 40 30 CJEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1cccc(Cl)c1 ZINC000408959814 567933683 /nfs/dbraw/zinc/93/36/83/567933683.db2.gz GFVPMXGBKCMPHN-DEDYPNTBSA-N 0 0 298.817 4.999 40 30 CJEBRN Cc1cccc(/N=C\c2ccc(N3CCCC3)cc2C)c1 ZINC000408959821 567933378 /nfs/dbraw/zinc/93/33/78/567933378.db2.gz GHQIEAFVNIXKPE-ZHZULCJRSA-N 0 0 278.399 4.654 40 30 CJEBRN Fc1ccccc1/N=C\c1ccc(N2CCCCC2)cc1 ZINC000408959868 567933400 /nfs/dbraw/zinc/93/34/00/567933400.db2.gz HEODQRQCGATLDE-ZHZULCJRSA-N 0 0 282.362 4.567 40 30 CJEBRN Fc1cccc(/N=C/c2ccc(N3CCCCC3)cc2)c1 ZINC000408960013 567933517 /nfs/dbraw/zinc/93/35/17/567933517.db2.gz HZPNMWLOHWTTAG-XSFVSMFZSA-N 0 0 282.362 4.567 40 30 CJEBRN Cc1cccc(/N=C\c2ccc(N3CCCCC3)cc2)c1 ZINC000408960426 567933497 /nfs/dbraw/zinc/93/34/97/567933497.db2.gz LPVQDINPXFTPLA-HKWRFOASSA-N 0 0 278.399 4.736 40 30 CJEBRN Cc1cc(N2CCCC2)ccc1/C=N\c1ccccc1Cl ZINC000408960699 567933731 /nfs/dbraw/zinc/93/37/31/567933731.db2.gz NZJODUVANYGONY-MOSHPQCFSA-N 0 0 298.817 4.999 40 30 CJEBRN CCc1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1 ZINC000408960826 567933719 /nfs/dbraw/zinc/93/37/19/567933719.db2.gz OKYCADWJZCIJPA-RCCKNPSSSA-N 0 0 292.426 4.908 40 30 CJEBRN CCc1ccccc1/N=C/c1ccc(N2CCCC2)cc1C ZINC000408960996 567933699 /nfs/dbraw/zinc/93/36/99/567933699.db2.gz PRFOHHYAZOZLJN-RCCKNPSSSA-N 0 0 292.426 4.908 40 30 CJEBRN Cc1ccc(/N=C/c2ccc(N3CCCC3)cc2C)cc1C ZINC000408961044 567933516 /nfs/dbraw/zinc/93/35/16/567933516.db2.gz QGXPPCYVTCTAGU-KGENOOAVSA-N 0 0 292.426 4.963 40 30 CJEBRN Cc1ccccc1/N=C\c1ccc(N2CCCC2)cc1C ZINC000408961073 567933402 /nfs/dbraw/zinc/93/34/02/567933402.db2.gz QTTHFUNHKCCHRJ-ZHZULCJRSA-N 0 0 278.399 4.654 40 30 CJEBRN 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COc1ccc(/N=C/c2ccc(Cl)s2)cc1Cl ZINC000408965087 567933559 /nfs/dbraw/zinc/93/35/59/567933559.db2.gz GINJRLXFBZSRNW-VIZOYTHASA-N 0 0 286.183 4.814 40 30 CJEBRN Fc1ccc(/N=C/c2ccc(Cl)s2)cc1Cl ZINC000408965095 567933519 /nfs/dbraw/zinc/93/35/19/567933519.db2.gz GMCZYLKULZXTQH-GIDUJCDVSA-N 0 0 274.147 4.945 40 30 CJEBRN CCN(CC)c1ccc(/N=C/c2ccc(Cl)s2)cc1 ZINC000408965435 567933724 /nfs/dbraw/zinc/93/37/24/567933724.db2.gz HMYOFFIEGCMZRJ-GZTJUZNOSA-N 0 0 292.835 4.998 40 30 CJEBRN Cc1cc(/N=C/c2ccc(Cl)s2)ccc1F ZINC000408965920 567933743 /nfs/dbraw/zinc/93/37/43/567933743.db2.gz JZFXPVXQBOZHTK-VIZOYTHASA-N 0 0 253.729 4.600 40 30 CJEBRN Clc1ccc(/C=N\c2ccccc2Cl)s1 ZINC000408967447 534636009 /nfs/dbraw/zinc/63/60/09/534636009.db2.gz RPKHMBRZGCBIJZ-AUWJEWJLSA-N 0 0 256.157 4.806 40 30 CJEBRN Clc1ccc(/C=N/c2cccc(Cl)c2)s1 ZINC000408968494 534636270 /nfs/dbraw/zinc/63/62/70/534636270.db2.gz ZQPWOTKXCCTEMM-VGOFMYFVSA-N 0 0 256.157 4.806 40 30 CJEBRN CCn1nc(C)c(/N=C/c2ccc(Cl)cc2Cl)c1C ZINC000408975201 529599618 /nfs/dbraw/zinc/59/96/18/529599618.db2.gz KIBRLCFQQSSFTJ-CAOOACKPSA-N 0 0 296.201 4.577 40 30 CJEBRN C(=NNc1ccccc1)c1ccc(Sc2ccccc2)o1 ZINC000408993426 527474168 /nfs/dbraw/zinc/47/41/68/527474168.db2.gz CSVKZZQYGREEKV-QGOAFFKASA-N 0 0 294.379 4.877 40 30 CJEBRN C(=N/N(c1ccccc1)c1ccccc1)\c1ccsc1 ZINC000409000907 567933809 /nfs/dbraw/zinc/93/38/09/567933809.db2.gz YYZNVSHGPRGFOR-QGOAFFKASA-N 0 0 278.380 4.920 40 30 CJEBRN Fc1cccc(-c2ccc(/C=N/c3ccccc3)o2)c1 ZINC000409010150 534511212 /nfs/dbraw/zinc/51/12/12/534511212.db2.gz JUBBYAORSOOVRO-XDHOZWIPSA-N 0 0 265.287 4.836 40 30 CJEBRN Fc1cccc(-c2ccc(/C=N\c3ccccc3F)o2)c1 ZINC000409013807 534512502 /nfs/dbraw/zinc/51/25/02/534512502.db2.gz VVNRJNFTMPQRQD-JAIQZWGSSA-N 0 0 283.277 4.975 40 30 CJEBRN Oc1ccc(-n2cccc2/C=N\c2ccc(Cl)cc2)cc1 ZINC000409016015 534452399 /nfs/dbraw/zinc/45/23/99/534452399.db2.gz ALDMLERIBZBBKK-UNOMPAQXSA-N 0 0 296.757 4.587 40 30 CJEBRN Oc1ccc(-n2cccc2/C=N\c2ccccc2Cl)cc1 ZINC000409016431 570275680 /nfs/dbraw/zinc/27/56/80/570275680.db2.gz IQHNLLFUZIBRTP-UNOMPAQXSA-N 0 0 296.757 4.587 40 30 CJEBRN N#Cc1ccc(-c2ccc(/C=N\C3CCCCC3)o2)cc1 ZINC000409018903 570275703 /nfs/dbraw/zinc/27/57/03/570275703.db2.gz WTFVUMIMULZMRG-MOSHPQCFSA-N 0 0 278.355 4.570 40 30 CJEBRN Cc1ccccc1/N=C\c1ccc(-c2ccc(C#N)cc2)o1 ZINC000409019555 570275757 /nfs/dbraw/zinc/27/57/57/570275757.db2.gz UDRSWLWFYIUCOY-BKUYFWCQSA-N 0 0 286.334 4.877 40 30 CJEBRN N#Cc1ccc(-c2ccc(/C=N/c3ccc(F)cc3)o2)cc1 ZINC000409021291 570275692 /nfs/dbraw/zinc/27/56/92/570275692.db2.gz AAZBPHSFZORMFA-CIAFOILYSA-N 0 0 290.297 4.708 40 30 CJEBRN Cc1ccc(/N=C/c2ccc(-c3ccc(C#N)cc3)o2)cc1 ZINC000409022232 534251894 /nfs/dbraw/zinc/25/18/94/534251894.db2.gz KHMQHZYWQNNUGM-FYJGNVAPSA-N 0 0 286.334 4.877 40 30 CJEBRN Cc1ccc(/N=C\c2cccn2-c2ccc(O)cc2)c(C)c1 ZINC000409022345 570275778 /nfs/dbraw/zinc/27/57/78/570275778.db2.gz KWZYQIZXVXUFTR-MOSHPQCFSA-N 0 0 290.366 4.550 40 30 CJEBRN Cc1ccc(/N=C/c2cccn2-c2ccc(O)cc2)cc1C ZINC000409023304 534252109 /nfs/dbraw/zinc/25/21/09/534252109.db2.gz XHDYIRGSFVCDGK-DEDYPNTBSA-N 0 0 290.366 4.550 40 30 CJEBRN N#Cc1ccc(-c2ccc(/C=N/c3cccc(F)c3)o2)cc1 ZINC000409024083 570275673 /nfs/dbraw/zinc/27/56/73/570275673.db2.gz UNALUTOERVZDKI-CIAFOILYSA-N 0 0 290.297 4.708 40 30 CJEBRN Cc1ccc(C(=O)C=CNc2ccc(C(C)C)cc2)cc1 ZINC000409052392 230411621 /nfs/dbraw/zinc/41/16/21/230411621.db2.gz DNEWQIHCKMAXKC-OUKQBFOZSA-N 0 0 279.383 4.927 40 30 CJEBRN CCc1ccccc1/N=C/c1ccc2ccccc2c1O ZINC000409054195 570276015 /nfs/dbraw/zinc/27/60/15/570276015.db2.gz IAFHYSRWNRCWPN-DEDYPNTBSA-N 0 0 275.351 4.858 40 30 CJEBRN COc1cccc(C(=O)C=CNc2ccc(C(C)C)cc2)c1 ZINC000409056279 570276102 /nfs/dbraw/zinc/27/61/02/570276102.db2.gz CAHSQNZQEYINRT-VAWYXSNFSA-N 0 0 295.382 4.627 40 30 CJEBRN Oc1c(/C=N/c2ccc(F)cc2F)ccc2ccccc12 ZINC000409056281 570276027 /nfs/dbraw/zinc/27/60/27/570276027.db2.gz CCEIWDDSZJALCQ-KEBDBYFISA-N 0 0 283.277 4.574 40 30 CJEBRN CC(C)c1ccc(NC=CC(=O)c2ccccc2)cc1 ZINC000409057282 570275996 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