smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1cc([N-]C(=O)c2cnn(-c3cccc(F)c3)c2C(F)(F)F)c(Cl)c([N+](=O)[O-])c1 ZINC001435632055 1064893359 /nfs/dbraw/zinc/89/33/59/1064893359.db2.gz LNILGKLRZULTPF-UHFFFAOYSA-N -1 3 453.739 4.716 20 30 JJEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001436261093 1065279215 /nfs/dbraw/zinc/27/92/15/1065279215.db2.gz ICVRHDIKBJJQRE-JOCHJYFZSA-N -1 3 456.571 4.918 20 30 JJEDHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C#N)c2)c(Cl)cc1Cl ZINC001436706156 1065425287 /nfs/dbraw/zinc/42/52/87/1065425287.db2.gz OIWORQKIHKCYPQ-ZDUSSCGKSA-N -1 3 454.379 4.893 20 30 JJEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001442465426 1066128053 /nfs/dbraw/zinc/12/80/53/1066128053.db2.gz FXMRMTHLAIKQPE-SANMLTNESA-N -1 3 455.558 4.810 20 30 JJEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC001443504198 1066320102 /nfs/dbraw/zinc/32/01/02/1066320102.db2.gz AVFHEEGWYYJHDY-JWQCQUIFSA-N -1 3 455.558 4.932 20 30 JJEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC001443504204 1066320367 /nfs/dbraw/zinc/32/03/67/1066320367.db2.gz AVFHEEGWYYJHDY-LOSJGSFVSA-N -1 3 455.558 4.932 20 30 JJEDHM C#CCC1(NC(=O)c2ccc(C)c(S(=O)(=O)[N-]c3ccc(OCC)cc3)c2)CCCCC1 ZINC001456186677 1066533000 /nfs/dbraw/zinc/53/30/00/1066533000.db2.gz XGUSYALMZOFVFC-UHFFFAOYSA-N -1 3 454.592 4.651 20 30 JJEDHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc(C#N)cc2)c(Cl)cc1Cl ZINC001456735015 1066677615 /nfs/dbraw/zinc/67/76/15/1066677615.db2.gz WEZDKPAXOGAZPM-ZDUSSCGKSA-N -1 3 454.379 4.609 20 30 JJEDHM COc1cc(Br)ccc1[C@@H](C)[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001463529956 1068429389 /nfs/dbraw/zinc/42/93/89/1068429389.db2.gz WENSKZIXDSHHNZ-LLVKDONJSA-N -1 3 451.367 4.584 20 30 JJEDHM C=C[C@@](C)(CCOC)C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC001463655605 1068483888 /nfs/dbraw/zinc/48/38/88/1068483888.db2.gz DSAXLVHOSZNAAU-FQEVSTJZSA-N -1 3 457.379 4.962 20 30 JJEDHM CC(C)([N-]S(=O)(=O)c1csnc1-c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC001464068234 1068604165 /nfs/dbraw/zinc/60/41/65/1068604165.db2.gz WRGVZYMOSRAHDN-UHFFFAOYSA-N -1 3 451.495 4.914 20 30 JJEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(F)(F)F)c1ccc(Br)cc1 ZINC001435206013 1064591261 /nfs/dbraw/zinc/59/12/61/1064591261.db2.gz JNFXKRPWJRJASM-UHFFFAOYSA-N -1 3 456.262 4.566 20 30 JJEDHM O=C([N-]c1cccc2oc(C(F)(F)F)nc21)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC001435642634 1064903220 /nfs/dbraw/zinc/90/32/20/1064903220.db2.gz ZJIULTPQPIAPIN-UHFFFAOYSA-N -1 3 459.281 4.838 20 30 JJEDHM COC(=O)[C@@H]([N-]C(=O)c1cc(F)c(C(F)(F)F)c(F)c1)c1ccccc1OC(F)(F)F ZINC001439296517 1065812512 /nfs/dbraw/zinc/81/25/12/1065812512.db2.gz QBRPXIKBXVLRMZ-AWEZNQCLSA-N -1 3 457.273 4.526 20 30 JJEDHM CCCCCCN([O-])C(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC ZINC001458009760 1066956345 /nfs/dbraw/zinc/95/63/45/1066956345.db2.gz FGTMTMOAIMOFIG-RDGATRHJSA-N -1 3 454.567 4.986 20 30 JJEDHM Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001458014810 1066957298 /nfs/dbraw/zinc/95/72/98/1066957298.db2.gz AFTNXGXKCYGWBB-IBGZPJMESA-N -1 3 452.576 4.743 20 30 JJEDHM O=C([N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC001458313942 1067027601 /nfs/dbraw/zinc/02/76/01/1067027601.db2.gz FVKBTWHSDNBMNX-HOCLYGCPSA-N -1 3 452.301 4.896 20 30 JJEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)c(SC(C)(C)C)c(F)c2)ccc1F ZINC001460211874 1067580654 /nfs/dbraw/zinc/58/06/54/1067580654.db2.gz MRLLCYPAHVRBFV-UHFFFAOYSA-N -1 3 458.527 4.711 20 30 JJEDHM O=S(=O)([N-][C@H](C[C@H]1CCCO1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001463972992 1068579047 /nfs/dbraw/zinc/57/90/47/1068579047.db2.gz CUODPXYTBMFGJO-ZYHUDNBSSA-N -1 3 459.330 4.503 20 30 JJEDHM CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC001360109028 1064990988 /nfs/dbraw/zinc/99/09/88/1064990988.db2.gz QPERUKGPBGZODK-DNQXCXABSA-N -1 3 451.567 4.504 20 30 JJEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2ccccc2Br)CCCCC1 ZINC001436259148 1065278338 /nfs/dbraw/zinc/27/83/38/1065278338.db2.gz PSOTXDVVHKGTEP-UHFFFAOYSA-N -1 3 456.384 4.947 20 30 JJEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(CNc4ncccc4C#N)c3)c2)n1 ZINC001441558164 1066050547 /nfs/dbraw/zinc/05/05/47/1066050547.db2.gz JYDHHIZAGXBPQX-UHFFFAOYSA-N -1 3 450.502 4.543 20 30 JJEDHM O=C([N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCc2nc[nH]c2C1 ZINC001546069531 1066367441 /nfs/dbraw/zinc/36/74/41/1066367441.db2.gz ORDPJUPHWIJSLF-RMLUDKJBSA-N -1 3 459.312 4.972 20 30 JJEDHM O=C([N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCc2[nH]cnc2C1 ZINC001546069531 1066367457 /nfs/dbraw/zinc/36/74/57/1066367457.db2.gz ORDPJUPHWIJSLF-RMLUDKJBSA-N -1 3 459.312 4.972 20 30 JJEDHM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC001456029050 1066482039 /nfs/dbraw/zinc/48/20/39/1066482039.db2.gz ZCJRFTUUERXZLX-UHFFFAOYSA-N -1 3 458.743 4.567 20 30 JJEDHM C#CCCOc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC001457567172 1066864657 /nfs/dbraw/zinc/86/46/57/1066864657.db2.gz FPWQQPHMJKJHLF-UHFFFAOYSA-N -1 3 452.507 4.589 20 30 JJEDHM Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457987756 1066952882 /nfs/dbraw/zinc/95/28/82/1066952882.db2.gz ZBCJYPQXOIDEGP-UHFFFAOYSA-N -1 3 457.379 4.508 20 30 JJEDHM N#CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccccc1 ZINC001450266498 1067066667 /nfs/dbraw/zinc/06/66/67/1067066667.db2.gz FQYLGXSEEOHOAY-JOCHJYFZSA-N -1 3 451.523 4.791 20 30 JJEDHM CC(C)(C[N-]S(=O)(=O)c1c(F)cccc1OC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001463542071 1068435306 /nfs/dbraw/zinc/43/53/06/1068435306.db2.gz UAZQKMXPSLOFHX-UHFFFAOYSA-N -1 3 459.383 4.999 20 30 JJEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(Oc3ccccc3)cc2)ccc1F ZINC001434971470 1064386438 /nfs/dbraw/zinc/38/64/38/1064386438.db2.gz REFBBXMHLNSMKH-QGZVFWFLSA-N -1 3 454.523 4.573 20 30 JJEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC3(CCCCCC3)[C@H]2c2ccccc2)ccc1F ZINC001438547362 1065730469 /nfs/dbraw/zinc/73/04/69/1065730469.db2.gz GQBSNZHZIQBJJM-HSZRJFAPSA-N -1 3 456.583 4.828 20 30 JJEDHM CCCCCCN([O-])C(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC ZINC001458009757 1066956362 /nfs/dbraw/zinc/95/63/62/1066956362.db2.gz FGTMTMOAIMOFIG-RCZVLFRGSA-N -1 3 454.567 4.986 20 30 JJEDHM N#CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccccc1 ZINC001450266515 1067066604 /nfs/dbraw/zinc/06/66/04/1067066604.db2.gz FQYLGXSEEOHOAY-QFIPXVFZSA-N -1 3 451.523 4.791 20 30 JJEDHM O=C([N-]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC001464229352 1068666421 /nfs/dbraw/zinc/66/64/21/1068666421.db2.gz IJTOOQNYIOQMEY-CYBMUJFWSA-N -1 3 454.733 4.747 20 30 JJEDHM C#Cc1cccc(N(C)C(=O)c2cc(S(=O)(=O)[N-][C@@H](C)CCC)c(Cl)cc2Cl)c1 ZINC001435056031 1064474592 /nfs/dbraw/zinc/47/45/92/1064474592.db2.gz ZPUCKYSZWZXJLC-AWEZNQCLSA-N -1 3 453.391 4.718 20 30 JJEDHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C#N)c2)c(Cl)cc1Cl ZINC001436706155 1065425171 /nfs/dbraw/zinc/42/51/71/1065425171.db2.gz OIWORQKIHKCYPQ-CYBMUJFWSA-N -1 3 454.379 4.893 20 30 JJEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)ccc1F ZINC001360552348 1065543470 /nfs/dbraw/zinc/54/34/70/1065543470.db2.gz PZMDAKRXOIHKIJ-KRWDZBQOSA-N -1 3 454.523 4.682 20 30 JJEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CC3(CCCCCC3)[C@@H]2c2ccccc2)ccc1F ZINC001438547365 1065730702 /nfs/dbraw/zinc/73/07/02/1065730702.db2.gz GQBSNZHZIQBJJM-QHCPKHFHSA-N -1 3 456.583 4.828 20 30 JJEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)C[C@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC001443504192 1066320472 /nfs/dbraw/zinc/32/04/72/1066320472.db2.gz AVFHEEGWYYJHDY-DQEYMECFSA-N -1 3 455.558 4.932 20 30 JJEDHM N#Cc1ccc(C2CCN(C(=O)C[C@@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)CC2)cc1 ZINC001456486540 1066596191 /nfs/dbraw/zinc/59/61/91/1066596191.db2.gz RJXFDTPTPPIKHF-AREMUKBSSA-N -1 3 453.542 4.531 20 30 JJEDHM C=CCC[C@@H](NC(=O)c1c[n-]c2ccc(I)cc2c1=O)c1ccccc1 ZINC001545981539 1066665971 /nfs/dbraw/zinc/66/59/71/1066665971.db2.gz VSJODIKDGGBVCE-GOSISDBHSA-N -1 3 458.299 4.570 20 30 JJEDHM O=C(c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1)N([O-])Cc1ccccc1Cl ZINC001458003126 1066955823 /nfs/dbraw/zinc/95/58/23/1066955823.db2.gz ODYVWMCYZRTQBD-UHFFFAOYSA-N -1 3 456.951 4.513 20 30 JJEDHM O=C(Cc1ccc(NC(=O)c2ccc(Br)cc2)cc1)N([O-])Cc1ccc(F)cc1 ZINC001458017348 1066957781 /nfs/dbraw/zinc/95/77/81/1066957781.db2.gz PRGIZGYZISWGBW-UHFFFAOYSA-N -1 3 457.299 4.801 20 30 JJEDHM N#Cc1cc(F)c(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1Br ZINC001458311685 1067026875 /nfs/dbraw/zinc/02/68/75/1067026875.db2.gz VYKWOZGGFNWRQC-UHFFFAOYSA-N -1 3 452.711 4.674 20 30 JJEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC001442796221 1066223190 /nfs/dbraw/zinc/22/31/90/1066223190.db2.gz IJMUOBYNGIFFTC-IBGZPJMESA-N -1 3 459.637 4.813 20 30 JJEDHM N#Cc1ccc(C2CCN(C(=O)C[C@H](NC(=O)c3ccc([O-])cc3)c3ccccc3)CC2)cc1 ZINC001456486684 1066596335 /nfs/dbraw/zinc/59/63/35/1066596335.db2.gz RJXFDTPTPPIKHF-SANMLTNESA-N -1 3 453.542 4.531 20 30 JJEDHM CCCc1c(NC(=O)c2c[n-]c(=NC(=O)OC(C)(C)C)s2)cnn1-c1cccc(C#N)c1 ZINC001447954838 1066881803 /nfs/dbraw/zinc/88/18/03/1066881803.db2.gz JAYFYXGNTVYQRF-UHFFFAOYSA-N -1 3 452.540 4.752 20 30 JJEDHM O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457985446 1066952273 /nfs/dbraw/zinc/95/22/73/1066952273.db2.gz SGOMZMXLNFTFDD-UHFFFAOYSA-N -1 3 457.379 4.590 20 30 JJEDHM CCCCCCN([O-])C(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1OC ZINC001458009762 1066956225 /nfs/dbraw/zinc/95/62/25/1066956225.db2.gz FGTMTMOAIMOFIG-WIOPSUGQSA-N -1 3 454.567 4.986 20 30 JJEDHM Cc1c(C(=O)N(C)CC(C)(C)C#N)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001450151838 1067054521 /nfs/dbraw/zinc/05/45/21/1067054521.db2.gz OZIGJASITYZDIL-UHFFFAOYSA-N -1 3 454.621 4.824 20 30 JJEDHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H](CCCC#N)c1ccccc1 ZINC001463777612 1068522005 /nfs/dbraw/zinc/52/20/05/1068522005.db2.gz VAIKRUFXFITLKG-INIZCTEOSA-N -1 3 457.777 4.825 20 30 JJEDHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H](CCCC#N)c1ccccc1 ZINC001463777636 1068522109 /nfs/dbraw/zinc/52/21/09/1068522109.db2.gz VAIKRUFXFITLKG-MRXNPFEDSA-N -1 3 457.777 4.825 20 30 JJEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC001464059134 1068602195 /nfs/dbraw/zinc/60/21/95/1068602195.db2.gz PTDTWLFOXSNKHU-IUODEOHRSA-N -1 3 451.224 4.933 20 30 JJEDHM CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC001360109029 1064990877 /nfs/dbraw/zinc/99/08/77/1064990877.db2.gz QPERUKGPBGZODK-RPWUZVMVSA-N -1 3 451.567 4.504 20 30 JJEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cnc(-c4ccc(C(F)(F)F)cc4)s3)n2)cc1 ZINC001457030528 1066748604 /nfs/dbraw/zinc/74/86/04/1066748604.db2.gz QCZUKCAMXJVKEB-UHFFFAOYSA-N -1 3 454.437 4.593 20 30 JJEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(c3ccc(C(C)(C)C)cc3)CCCC2)ccc1F ZINC001458074837 1066967981 /nfs/dbraw/zinc/96/79/81/1066967981.db2.gz XGBDXJUDNGWQNG-UHFFFAOYSA-N -1 3 458.599 4.787 20 30 JJEDHM O=C([N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CC(c2c(F)cccc2F)=NO1 ZINC001458313939 1067027316 /nfs/dbraw/zinc/02/73/16/1067027316.db2.gz FVKBTWHSDNBMNX-GOEBONIOSA-N -1 3 452.301 4.896 20 30 JJEDHM C#C[C@@](C)(CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC001449785651 1067027932 /nfs/dbraw/zinc/02/79/32/1067027932.db2.gz IQYFWINLOIESRO-IBGZPJMESA-N -1 3 459.782 4.979 20 30 JJEDHM Cc1c(C(=O)N[C@]2(C#N)CC2(C)C)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001450540632 1067087845 /nfs/dbraw/zinc/08/78/45/1067087845.db2.gz LFJKGDFAGMHGDE-QHCPKHFHSA-N -1 3 452.605 4.624 20 30 JJEDHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)N3Cc4ccc(C#N)cc4C3)ccc2C)c(C)c1 ZINC001452409573 1067221892 /nfs/dbraw/zinc/22/18/92/1067221892.db2.gz VYPZUUOJKTWENB-UHFFFAOYSA-N -1 3 459.571 4.749 20 30 JJEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC2(CCCC2)c2cc(Br)ccc21 ZINC001435512564 1064798113 /nfs/dbraw/zinc/79/81/13/1064798113.db2.gz FLVJVCQFFWUEBS-UHFFFAOYSA-N -1 3 454.368 4.829 20 30 JJEDHM Cc1cc(C2CCN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CC2)ccc1Br ZINC001435982922 1065091596 /nfs/dbraw/zinc/09/15/96/1065091596.db2.gz MJTAOFBHMCZNOE-UHFFFAOYSA-N -1 3 456.384 4.685 20 30 JJEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2O[C@H](C)c2ccccc2)ccc1F ZINC001360552349 1065543411 /nfs/dbraw/zinc/54/34/11/1065543411.db2.gz PZMDAKRXOIHKIJ-QGZVFWFLSA-N -1 3 454.523 4.682 20 30 JJEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C#Cc3ccc(C(F)(F)F)cc3)cc2)cc1 ZINC001440516356 1065946325 /nfs/dbraw/zinc/94/63/25/1065946325.db2.gz DRXRLQZNSBAFJB-UHFFFAOYSA-N -1 3 458.461 4.805 20 30 JJEDHM Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC001361015807 1066203823 /nfs/dbraw/zinc/20/38/23/1066203823.db2.gz PATWPLMXDPCOCM-UHFFFAOYSA-N -1 3 453.289 4.721 20 30 JJEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)C[C@@H](NC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC001443504209 1066320155 /nfs/dbraw/zinc/32/01/55/1066320155.db2.gz AVFHEEGWYYJHDY-RPBOFIJWSA-N -1 3 455.558 4.932 20 30 JJEDHM Cc1ccc(CSc2nc(NC(=O)c3cccc(CNc4ncccc4C#N)c3)n[n-]2)cc1 ZINC001457165429 1066777394 /nfs/dbraw/zinc/77/73/94/1066777394.db2.gz JWYFGJWBNOWDJN-UHFFFAOYSA-N -1 3 455.547 4.537 20 30 JJEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccc(Oc3ccccc3Cl)nc2)C1=O ZINC001448748859 1066955713 /nfs/dbraw/zinc/95/57/13/1066955713.db2.gz JXWPTWYAYUWMJV-QHCPKHFHSA-N -1 3 458.946 4.843 20 30 JJEDHM Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)N([O-])Cc1cccc2ccccc21 ZINC001458014815 1066957177 /nfs/dbraw/zinc/95/71/77/1066957177.db2.gz AFTNXGXKCYGWBB-LJQANCHMSA-N -1 3 452.576 4.743 20 30 JJEDHM O=C([N-][C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC001458313945 1067027482 /nfs/dbraw/zinc/02/74/82/1067027482.db2.gz FVKBTWHSDNBMNX-ZBFHGGJFSA-N -1 3 452.301 4.896 20 30 JJEDHM Cc1c(C(=O)N[C@@]2(C#N)CC2(C)C)sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c12 ZINC001450540384 1067088117 /nfs/dbraw/zinc/08/81/17/1067088117.db2.gz LFJKGDFAGMHGDE-HSZRJFAPSA-N -1 3 452.605 4.624 20 30 JJEDHM O=C([N-]c1nnc(C(F)(F)C(F)(F)F)s1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC001462060639 1067993529 /nfs/dbraw/zinc/99/35/29/1067993529.db2.gz BWGFRECWESUCTH-UHFFFAOYSA-N -1 3 457.306 4.649 20 30 JJEDHM CCCOc1ccccc1Oc1ncccc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC001462858649 1068193373 /nfs/dbraw/zinc/19/33/73/1068193373.db2.gz INQZZEKATAEUNW-UHFFFAOYSA-N -1 3 457.939 4.666 20 30 JJEDHM O=S(=O)([N-][C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001463972990 1068579160 /nfs/dbraw/zinc/57/91/60/1068579160.db2.gz CUODPXYTBMFGJO-JQWIXIFHSA-N -1 3 459.330 4.503 20 30 JJEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC001464059138 1068602271 /nfs/dbraw/zinc/60/22/71/1068602271.db2.gz PTDTWLFOXSNKHU-WFASDCNBSA-N -1 3 451.224 4.933 20 30 JJEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC001464059137 1068602376 /nfs/dbraw/zinc/60/23/76/1068602376.db2.gz PTDTWLFOXSNKHU-SWLSCSKDSA-N -1 3 451.224 4.933 20 30 JJEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(Oc3ccccc3)cc2)ccc1F ZINC001434971469 1064386512 /nfs/dbraw/zinc/38/65/12/1064386512.db2.gz REFBBXMHLNSMKH-KRWDZBQOSA-N -1 3 454.523 4.573 20 30 JJEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@@H](c1cccnc1)c1ccc(F)cc1F ZINC001359859178 1064547249 /nfs/dbraw/zinc/54/72/49/1064547249.db2.gz XILWGQVKPSNNBP-DEOSSOPVSA-N -1 3 450.489 4.520 20 30 JJEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001436261094 1065279338 /nfs/dbraw/zinc/27/93/38/1065279338.db2.gz ICVRHDIKBJJQRE-QFIPXVFZSA-N -1 3 456.571 4.918 20 30 JJEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(Cc2ccccc2Cl)C2CCCC2)ccc1F ZINC001456152141 1066523936 /nfs/dbraw/zinc/52/39/36/1066523936.db2.gz OGNKDLQOSOCYBK-UHFFFAOYSA-N -1 3 450.963 4.528 20 30 JJEDHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)N(C)c2ccc(C#N)cc2)c(Cl)cc1Cl ZINC001456733820 1066677362 /nfs/dbraw/zinc/67/73/62/1066677362.db2.gz WEZDKPAXOGAZPM-CYBMUJFWSA-N -1 3 454.379 4.609 20 30 JJEDHM N#Cc1ccc(Cn2cnc([N-]C(=O)c3cnc(-c4c(Cl)cccc4Cl)s3)n2)cc1 ZINC001457027159 1066747454 /nfs/dbraw/zinc/74/74/54/1066747454.db2.gz BLLBOCYOQOGVEC-UHFFFAOYSA-N -1 3 455.330 4.881 20 30 JJEDHM O=S(=O)([N-][C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001463972991 1068579085 /nfs/dbraw/zinc/57/90/85/1068579085.db2.gz CUODPXYTBMFGJO-PWSUYJOCSA-N -1 3 459.330 4.503 20 30 JJEDHM O=S(=O)([N-][C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC001463972988 1068579240 /nfs/dbraw/zinc/57/92/40/1068579240.db2.gz CUODPXYTBMFGJO-CMPLNLGQSA-N -1 3 459.330 4.503 20 30 JJEDHM C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC)cc2)c1)C1CCCCC1 ZINC001464653752 1068812642 /nfs/dbraw/zinc/81/26/42/1068812642.db2.gz WRDYGVUDDXQHSS-UHFFFAOYSA-N -1 3 454.592 4.603 20 30 JJEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC001442796224 1066223258 /nfs/dbraw/zinc/22/32/58/1066223258.db2.gz IJMUOBYNGIFFTC-LJQANCHMSA-N -1 3 459.637 4.813 20 30 JJEDHM COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC001443636880 1066342170 /nfs/dbraw/zinc/34/21/70/1066342170.db2.gz RNILCFDOWDSEGQ-UHFFFAOYSA-N -1 3 458.562 4.516 20 30 JJEDHM O=C([N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCc2nc[nH]c2C1 ZINC001546069530 1066367278 /nfs/dbraw/zinc/36/72/78/1066367278.db2.gz ORDPJUPHWIJSLF-CLAHSXSESA-N -1 3 459.312 4.972 20 30 JJEDHM O=C([N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCc2[nH]cnc2C1 ZINC001546069530 1066367293 /nfs/dbraw/zinc/36/72/93/1066367293.db2.gz ORDPJUPHWIJSLF-CLAHSXSESA-N -1 3 459.312 4.972 20 30 JJEDHM C#CCN(Cc1c([O-])cccc1Br)[C@H]1CCOc2ccc(Br)cc21 ZINC001461987091 1067975519 /nfs/dbraw/zinc/97/55/19/1067975519.db2.gz OPJKEPTXTYSKFE-KRWDZBQOSA-N -1 3 451.158 4.876 20 30 JJEDHM O=C(Nc1cccc(C#Cc2ccccc2)c1)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC001463907776 1068561602 /nfs/dbraw/zinc/56/16/02/1068561602.db2.gz HLRJPIJWQGLCNP-UHFFFAOYSA-N -1 3 459.502 4.607 20 30 JJEDHM C#Cc1cccc(N(C)C(=O)c2cc(S(=O)(=O)[N-][C@H](C)CCC)c(Cl)cc2Cl)c1 ZINC001435056032 1064474650 /nfs/dbraw/zinc/47/46/50/1064474650.db2.gz ZPUCKYSZWZXJLC-CQSZACIVSA-N -1 3 453.391 4.718 20 30 JJEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)[C@H](c1cccnc1)c1ccc(F)cc1F ZINC001359859179 1064547279 /nfs/dbraw/zinc/54/72/79/1064547279.db2.gz XILWGQVKPSNNBP-XMMPIXPASA-N -1 3 450.489 4.520 20 30 JJEDHM CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC001360109030 1064991035 /nfs/dbraw/zinc/99/10/35/1064991035.db2.gz QPERUKGPBGZODK-ZEQRLZLVSA-N -1 3 451.567 4.504 20 30 JJEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1c(Cl)cc(Br)cc1Cl ZINC001439614058 1065848256 /nfs/dbraw/zinc/84/82/56/1065848256.db2.gz PRDDEFFSIAMKJD-UHFFFAOYSA-N -1 3 457.155 4.594 20 30 JJEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC001442465419 1066128082 /nfs/dbraw/zinc/12/80/82/1066128082.db2.gz FXMRMTHLAIKQPE-AREMUKBSSA-N -1 3 455.558 4.810 20 30 JJEDHM O=C([N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCc2nc[nH]c2C1 ZINC001546069532 1066367585 /nfs/dbraw/zinc/36/75/85/1066367585.db2.gz ORDPJUPHWIJSLF-RTHLEPHNSA-N -1 3 459.312 4.972 20 30 JJEDHM O=C([N-][C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCc2[nH]cnc2C1 ZINC001546069532 1066367600 /nfs/dbraw/zinc/36/76/00/1066367600.db2.gz ORDPJUPHWIJSLF-RTHLEPHNSA-N -1 3 459.312 4.972 20 30 JJEDHM O=C([C@@H]1CCN(c2cccc(Br)c2)C1=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457987754 1066952932 /nfs/dbraw/zinc/95/29/32/1066952932.db2.gz ZBBZFHLKSRILHF-MRXNPFEDSA-N -1 3 458.139 4.527 20 30 JJEDHM CCCCCCN([O-])C(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1OC ZINC001458009755 1066956376 /nfs/dbraw/zinc/95/63/76/1066956376.db2.gz FGTMTMOAIMOFIG-DHLKQENFSA-N -1 3 454.567 4.986 20 30 JJEDHM C#C[C@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(Cl)cc1F ZINC001449315457 1066998939 /nfs/dbraw/zinc/99/89/39/1066998939.db2.gz JREZYAUCEGFOHW-GOTSBHOMSA-N -1 3 450.897 4.537 20 30 JJEDHM C#CCN(Cc1c([O-])cccc1Br)[C@@H]1CCOc2ccc(Br)cc21 ZINC001461987094 1067976029 /nfs/dbraw/zinc/97/60/29/1067976029.db2.gz OPJKEPTXTYSKFE-QGZVFWFLSA-N -1 3 451.158 4.876 20 30 JJEDHM COc1cc(Br)ccc1[C@H](C)[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC001463529968 1068429412 /nfs/dbraw/zinc/42/94/12/1068429412.db2.gz WENSKZIXDSHHNZ-NSHDSACASA-N -1 3 451.367 4.584 20 30 JJEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC001463885477 1068555689 /nfs/dbraw/zinc/55/56/89/1068555689.db2.gz BASHEUFMRXKIBV-UHFFFAOYSA-N -1 3 450.560 4.633 20 30 JJEDHM CCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(F)c2)c(Cl)cc1Cl ZINC001436589817 1065386760 /nfs/dbraw/zinc/38/67/60/1065386760.db2.gz SQBVYDIKRGTUGE-LLVKDONJSA-N -1 3 458.342 4.723 20 30 JJEDHM CCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)c(F)c2)c(Cl)cc1Cl ZINC001436589821 1065386900 /nfs/dbraw/zinc/38/69/00/1065386900.db2.gz SQBVYDIKRGTUGE-NSHDSACASA-N -1 3 458.342 4.723 20 30 JJEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@]1(C)Cc1cccc(Br)c1 ZINC001439360445 1065820939 /nfs/dbraw/zinc/82/09/39/1065820939.db2.gz QOHDTWFQVHFRTM-QHCPKHFHSA-N -1 3 456.384 4.595 20 30 JJEDHM C#C[C@@H](NC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(Cl)cc1F ZINC001449315460 1066998695 /nfs/dbraw/zinc/99/86/95/1066998695.db2.gz JREZYAUCEGFOHW-PKTZIBPZSA-N -1 3 450.897 4.537 20 30 JJEDHM C#C[C@@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(Cl)cc1F ZINC001449315453 1066998783 /nfs/dbraw/zinc/99/87/83/1066998783.db2.gz JREZYAUCEGFOHW-DHIUTWEWSA-N -1 3 450.897 4.537 20 30 JJEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC(C)C)c2ccc(C(F)(F)F)cc2)ccc1F ZINC001460123613 1067559747 /nfs/dbraw/zinc/55/97/47/1067559747.db2.gz PNUXEOPKXFKCMH-UHFFFAOYSA-N -1 3 458.477 4.612 20 30 JJEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(CCCc3ccccc3)cc2)ccc1F ZINC001434984130 1064400231 /nfs/dbraw/zinc/40/02/31/1064400231.db2.gz ALHHPGDWWYMKTD-UHFFFAOYSA-N -1 3 452.551 4.718 20 30 JJEDHM N#Cc1cc(C(=O)[N-]c2nnc(-c3cccc(Br)c3)s2)cnc1C(F)(F)F ZINC001435163893 1064560046 /nfs/dbraw/zinc/56/00/46/1064560046.db2.gz WSKUUUJANIHNAH-UHFFFAOYSA-N -1 3 454.231 4.505 20 30 JJEDHM C=CCC[C@H](NC(=O)c1c[n-]c2ccc(I)cc2c1=O)c1ccccc1 ZINC001545981540 1066665997 /nfs/dbraw/zinc/66/59/97/1066665997.db2.gz VSJODIKDGGBVCE-SFHVURJKSA-N -1 3 458.299 4.570 20 30 JJEDHM CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC001448128458 1066903247 /nfs/dbraw/zinc/90/32/47/1066903247.db2.gz YSQNRKGRXHDZTC-UHFFFAOYSA-N -1 3 457.571 4.855 20 30 JJEDHM O=C([N-][C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CC(c2c(F)cccc2F)=NO1 ZINC001458313936 1067027400 /nfs/dbraw/zinc/02/74/00/1067027400.db2.gz FVKBTWHSDNBMNX-GDBMZVCRSA-N -1 3 452.301 4.896 20 30 JJEDHM C#C[C@](C)(CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c1 ZINC001449785667 1067028321 /nfs/dbraw/zinc/02/83/21/1067028321.db2.gz IQYFWINLOIESRO-LJQANCHMSA-N -1 3 459.782 4.979 20 30 JJEDHM C=C[C@](C)(CCOC)C(=O)Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC001463655607 1068483815 /nfs/dbraw/zinc/48/38/15/1068483815.db2.gz DSAXLVHOSZNAAU-HXUWFJFHSA-N -1 3 457.379 4.962 20 30 JJEDHM CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC001360109027 1064991061 /nfs/dbraw/zinc/99/10/61/1064991061.db2.gz QPERUKGPBGZODK-BJKOFHAPSA-N -1 3 451.567 4.504 20 30 JJEDHM CCC(C)(C)N(CCC#N)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1Cl ZINC001435975393 1065088570 /nfs/dbraw/zinc/08/85/70/1065088570.db2.gz IGUUJSFUTBBGAE-UHFFFAOYSA-N -1 3 451.951 4.824 20 30 JJEDHM COC(=O)[C@H]([N-]C(=O)c1cc(F)c(C(F)(F)F)c(F)c1)c1ccccc1OC(F)(F)F ZINC001439296520 1065812431 /nfs/dbraw/zinc/81/24/31/1065812431.db2.gz QBRPXIKBXVLRMZ-CQSZACIVSA-N -1 3 457.273 4.526 20 30 JJEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]1(C)Cc1cccc(Br)c1 ZINC001439360443 1065820907 /nfs/dbraw/zinc/82/09/07/1065820907.db2.gz QOHDTWFQVHFRTM-HSZRJFAPSA-N -1 3 456.384 4.595 20 30 JJEDHM C=CCN(CCC#N)C(=O)c1sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c2c1C ZINC001457839372 1066931086 /nfs/dbraw/zinc/93/10/86/1066931086.db2.gz XJXVPBNOBJNKEN-UHFFFAOYSA-N -1 3 452.605 4.744 20 30 JJEDHM C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N([O-])Cc1ccccc1Cl ZINC001457992851 1066953709 /nfs/dbraw/zinc/95/37/09/1066953709.db2.gz LVCXNGDPXIXPBN-MRXNPFEDSA-N -1 3 450.922 4.985 20 30 JJEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(Oc3ccccc3Cl)nc2)C1=O ZINC001448748850 1066955773 /nfs/dbraw/zinc/95/57/73/1066955773.db2.gz JXWPTWYAYUWMJV-HSZRJFAPSA-N -1 3 458.946 4.843 20 30 JJEDHM C#C[C@H](NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)c1ccc(Cl)cc1F ZINC001449315464 1066998710 /nfs/dbraw/zinc/99/87/10/1066998710.db2.gz JREZYAUCEGFOHW-XZOQPEGZSA-N -1 3 450.897 4.537 20 30 JJEDHM C=CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC001464059133 1068602393 /nfs/dbraw/zinc/60/23/93/1068602393.db2.gz PTDTWLFOXSNKHU-DOMZBBRYSA-N -1 3 451.224 4.933 20 30 JJEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(Cl)c1 ZINC001445044283 1066533200 /nfs/dbraw/zinc/53/32/00/1066533200.db2.gz DSBCOUTXWRODKT-LIRRHRJNSA-N -1 3 455.363 4.714 20 30 JJEDHM CCCc1c(NC(=O)c2ccc(C(=O)OCc3ccccc3)[n-]2)cnn1-c1cccc(C#N)c1 ZINC001447953078 1066881177 /nfs/dbraw/zinc/88/11/77/1066881177.db2.gz AVFAKAWQGCGOAK-UHFFFAOYSA-N -1 3 453.502 4.634 20 30 JJEDHM C=CCCOCCNC(=O)c1sc2[n-]c(CSc3cc(C)ccc3C)nc(=O)c2c1C ZINC001457738137 1066907755 /nfs/dbraw/zinc/90/77/55/1066907755.db2.gz JIOQESIWNNGSNQ-UHFFFAOYSA-N -1 3 457.621 4.525 20 30 JJEDHM COc1ccc(CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C2CCCCC2)cc1OC ZINC001458080402 1066969774 /nfs/dbraw/zinc/96/97/74/1066969774.db2.gz LYTMSMTVMXWDPC-UHFFFAOYSA-N -1 3 451.567 4.587 20 30 JJEDHM C=CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc2C)cc1 ZINC001449226338 1066990995 /nfs/dbraw/zinc/99/09/95/1066990995.db2.gz PUNMJDDZGJDHCU-UHFFFAOYSA-N -1 3 450.560 4.599 20 30 JJEDHM N#Cc1cccc(-c2cc(C(=O)[N-]c3nc(-c4ccc(Br)cn4)cs3)on2)c1 ZINC001459950451 1067503865 /nfs/dbraw/zinc/50/38/65/1067503865.db2.gz IZRZYNPZQNYHNC-UHFFFAOYSA-N -1 3 452.293 4.747 20 30 JJEDHM O=S(=O)([N-]Cc1ccc(F)cc1C(F)(F)F)c1cc(Cl)ccc1OC(F)(F)F ZINC001462828518 1068180142 /nfs/dbraw/zinc/18/01/42/1068180142.db2.gz AVXRONCYBPWIPT-UHFFFAOYSA-N -1 3 451.747 4.875 20 30 JJEDHM O=C([N-]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC001464229362 1068666546 /nfs/dbraw/zinc/66/65/46/1068666546.db2.gz IJTOOQNYIOQMEY-ZDUSSCGKSA-N -1 3 454.733 4.747 20 30 JJEDHM O=C([N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCc2nc[nH]c2C1 ZINC001546069533 1066368257 /nfs/dbraw/zinc/36/82/57/1066368257.db2.gz ORDPJUPHWIJSLF-XLKFXECMSA-N -1 3 459.312 4.972 20 30 JJEDHM O=C([N-][C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCc2[nH]cnc2C1 ZINC001546069533 1066368271 /nfs/dbraw/zinc/36/82/71/1066368271.db2.gz ORDPJUPHWIJSLF-XLKFXECMSA-N -1 3 459.312 4.972 20 30 JJEDHM O=C([C@H]1CCN(c2cccc(Br)c2)C1=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC001457987751 1066952853 /nfs/dbraw/zinc/95/28/53/1066952853.db2.gz ZBBZFHLKSRILHF-INIZCTEOSA-N -1 3 458.139 4.527 20 30 JJEDHM