smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1c(F)cccc1C[NH2+]C[C@H]1CCCSC1 ZINC000290228124 526331118 /nfs/dbraw/zinc/33/11/18/526331118.db2.gz SPPDVTVXMBCYOF-SNVBAGLBSA-N 1 1 255.358 2.764 10 10 CFCEMO Nc1cccc(Cl)c1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049564309 527518508 /nfs/dbraw/zinc/51/85/08/527518508.db2.gz RUQUFIGMPCXPJW-CHWSQXEVSA-N 1 1 265.788 2.961 10 10 CFCEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cc(OC)c(C)cc1O ZINC000160344743 618013902 /nfs/dbraw/zinc/01/39/02/618013902.db2.gz DQSXNIIGDPYMII-HNNXBMFYSA-N 1 1 292.423 2.625 10 10 CFCEMO CCN1CCC[C@H]1C[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000160344743 618013903 /nfs/dbraw/zinc/01/39/03/618013903.db2.gz DQSXNIIGDPYMII-HNNXBMFYSA-N 1 1 292.423 2.625 10 10 CFCEMO CCN1CCC[C@H]1C[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000160344743 618013908 /nfs/dbraw/zinc/01/39/08/618013908.db2.gz DQSXNIIGDPYMII-HNNXBMFYSA-N 1 1 292.423 2.625 10 10 CFCEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(C)ccc1O ZINC000184054319 625571154 /nfs/dbraw/zinc/57/11/54/625571154.db2.gz NNYNWRKWYUBTHR-HZPDHXFCSA-N 1 1 274.408 2.759 10 10 CFCEMO CC[C@@H]1CN2CCC[C@@H]2C[N@@H+]1Cc1cc(C)ccc1O ZINC000184054319 625571157 /nfs/dbraw/zinc/57/11/57/625571157.db2.gz NNYNWRKWYUBTHR-HZPDHXFCSA-N 1 1 274.408 2.759 10 10 CFCEMO CC[C@@H]1CN2CCC[C@@H]2C[N@H+]1Cc1cc(C)ccc1O ZINC000184054319 625571161 /nfs/dbraw/zinc/57/11/61/625571161.db2.gz NNYNWRKWYUBTHR-HZPDHXFCSA-N 1 1 274.408 2.759 10 10 CFCEMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000164337961 622949393 /nfs/dbraw/zinc/94/93/93/622949393.db2.gz WTDUCRZPNDSUCA-AWEZNQCLSA-N 1 1 285.391 2.732 10 10 CFCEMO CC(C)(C)[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(F)c1O ZINC000165017443 622978623 /nfs/dbraw/zinc/97/86/23/622978623.db2.gz IHWCWCSXEGSWNF-CQSZACIVSA-N 1 1 291.370 2.932 10 10 CFCEMO COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1[O-] ZINC000231458690 623347935 /nfs/dbraw/zinc/34/79/35/623347935.db2.gz GFXDUYPCBCRNTK-ZDUSSCGKSA-N 1 1 298.814 2.628 10 10 CFCEMO COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1[O-] ZINC000231458690 623347939 /nfs/dbraw/zinc/34/79/39/623347939.db2.gz GFXDUYPCBCRNTK-ZDUSSCGKSA-N 1 1 298.814 2.628 10 10 CFCEMO Cn1cc([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)CCC4)C2)cn1 ZINC000116257970 636323582 /nfs/dbraw/zinc/32/35/82/636323582.db2.gz HCKZOGKXYKPFNS-OAHLLOKOSA-N 1 1 297.402 2.604 10 10 CFCEMO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2O)C1 ZINC000246182498 650857383 /nfs/dbraw/zinc/85/73/83/650857383.db2.gz GMMYFTZUSHMYHC-YPMHNXCESA-N 1 1 266.360 2.666 10 10 CFCEMO COc1cc(Br)c(O)c([C@H]2CCC[NH2+]2)c1 ZINC000218766356 348167368 /nfs/dbraw/zinc/16/73/68/348167368.db2.gz YHBWKXZMKNMLOO-SNVBAGLBSA-N 1 1 272.142 2.588 10 10 CFCEMO Cc1cc(O)c(C[N@H+]2CCN3CCCC[C@@H]3C2)cc1C ZINC000092616068 375130770 /nfs/dbraw/zinc/13/07/70/375130770.db2.gz DFSRDDIMJWOUGY-MRXNPFEDSA-N 1 1 274.408 2.679 10 10 CFCEMO Cc1cc(O)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1C ZINC000092616068 375130775 /nfs/dbraw/zinc/13/07/75/375130775.db2.gz DFSRDDIMJWOUGY-MRXNPFEDSA-N 1 1 274.408 2.679 10 10 CFCEMO Cc1cc(O)c(CN2CC[N@H+]3CCCC[C@@H]3C2)cc1C ZINC000092616068 375130779 /nfs/dbraw/zinc/13/07/79/375130779.db2.gz DFSRDDIMJWOUGY-MRXNPFEDSA-N 1 1 274.408 2.679 10 10 CFCEMO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000186101597 381822764 /nfs/dbraw/zinc/82/27/64/381822764.db2.gz NTSWWXFBXUQMJD-XUJVJEKNSA-N 1 1 280.387 2.911 10 10 CFCEMO CN(C)c1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000245513940 383003554 /nfs/dbraw/zinc/00/35/54/383003554.db2.gz DVRGRFFHYSBGTG-IAGOWNOFSA-N 1 1 274.408 2.896 10 10 CFCEMO C[C@H](c1ccc2ccccc2c1O)[NH+]1CCNCC1 ZINC000038086693 174097834 /nfs/dbraw/zinc/09/78/34/174097834.db2.gz SCNXNMKOKUEANE-GFCCVEGCSA-N 1 1 256.349 2.512 10 10 CFCEMO CN(C)c1ccc([C@@H](C[NH3+])N2CCCCCC2)cc1 ZINC000038827607 174155931 /nfs/dbraw/zinc/15/59/31/174155931.db2.gz WJHUOZXOMLSMDF-MRXNPFEDSA-N 1 1 261.413 2.628 10 10 CFCEMO CC(=O)c1cc(F)cc(C[N@@H+]2CCS[C@@H](C)C2)c1O ZINC000079413954 518286611 /nfs/dbraw/zinc/28/66/11/518286611.db2.gz NQXRUTPAWROQCK-VIFPVBQESA-N 1 1 283.368 2.671 10 10 CFCEMO CC(=O)c1cc(F)cc(C[N@H+]2CCS[C@@H](C)C2)c1O ZINC000079413954 518286618 /nfs/dbraw/zinc/28/66/18/518286618.db2.gz NQXRUTPAWROQCK-VIFPVBQESA-N 1 1 283.368 2.671 10 10 CFCEMO CCOC[C@@H]([NH2+]Cc1cccc(F)c1O)C(C)C ZINC000233736013 520089398 /nfs/dbraw/zinc/08/93/98/520089398.db2.gz BQLLDSIPXMMSJP-CYBMUJFWSA-N 1 1 255.333 2.682 10 10 CFCEMO CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(F)c1O ZINC000160192019 523517760 /nfs/dbraw/zinc/51/77/60/523517760.db2.gz CPKZDBIBJSLEHA-ZYHUDNBSSA-N 1 1 253.317 2.531 10 10 CFCEMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cccc(F)c1O ZINC000160192019 523517763 /nfs/dbraw/zinc/51/77/63/523517763.db2.gz CPKZDBIBJSLEHA-ZYHUDNBSSA-N 1 1 253.317 2.531 10 10 CFCEMO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(F)c1O ZINC000227688388 524434934 /nfs/dbraw/zinc/43/49/34/524434934.db2.gz YAUNCDIQNRYFQD-SNVBAGLBSA-N 1 1 298.358 2.534 10 10 CFCEMO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(F)cc1O ZINC000273368651 525406624 /nfs/dbraw/zinc/40/66/24/525406624.db2.gz BWKSXAOJEJPYAO-ZANVPECISA-N 1 1 255.333 2.589 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]CCCC(F)(F)F ZINC000158826958 526328201 /nfs/dbraw/zinc/32/82/01/526328201.db2.gz SBBQQXOPJYXLMO-UHFFFAOYSA-N 1 1 251.223 2.963 10 10 CFCEMO Nc1cccc(Cl)c1N[C@H]1CC[N@H+]2CCC[C@H]12 ZINC000049564693 527518627 /nfs/dbraw/zinc/51/86/27/527518627.db2.gz YHFHKJHAXZJKKU-NWDGAFQWSA-N 1 1 251.761 2.571 10 10 CFCEMO COc1cc(C[N@H+]2CCS[C@@H](C)C2)c(O)cc1C ZINC000160146124 617603561 /nfs/dbraw/zinc/60/35/61/617603561.db2.gz YTTPGJBYQMAKEK-NSHDSACASA-N 1 1 267.394 2.647 10 10 CFCEMO CCOC[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC000313466670 618990146 /nfs/dbraw/zinc/99/01/46/618990146.db2.gz FTZLPUPHQQOLKZ-CYBMUJFWSA-N 1 1 267.344 2.922 10 10 CFCEMO CCOC[C@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC000313466670 618990147 /nfs/dbraw/zinc/99/01/47/618990147.db2.gz FTZLPUPHQQOLKZ-CYBMUJFWSA-N 1 1 267.344 2.922 10 10 CFCEMO COc1cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c(O)cc1C ZINC000245514610 650818996 /nfs/dbraw/zinc/81/89/96/650818996.db2.gz GFZGDYMETHBPBX-ZBFHGGJFSA-N 1 1 291.391 2.853 10 10 CFCEMO Cc1cc(C)c(O)c(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000246395919 650866458 /nfs/dbraw/zinc/86/64/58/650866458.db2.gz HRPMOEYQJWANNZ-ZBFHGGJFSA-N 1 1 274.408 2.678 10 10 CFCEMO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000246395919 650866460 /nfs/dbraw/zinc/86/64/60/650866460.db2.gz HRPMOEYQJWANNZ-ZBFHGGJFSA-N 1 1 274.408 2.678 10 10 CFCEMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H]3CCCN3C[C@H]2C)c1 ZINC000246395919 650866461 /nfs/dbraw/zinc/86/64/61/650866461.db2.gz HRPMOEYQJWANNZ-ZBFHGGJFSA-N 1 1 274.408 2.678 10 10 CFCEMO COc1ccc(C[N@@H+](C)Cc2ccc(N)cc2)cc1OC ZINC000034063556 346313648 /nfs/dbraw/zinc/31/36/48/346313648.db2.gz IUNHXXJSYUGADW-UHFFFAOYSA-N 1 1 286.375 2.918 10 10 CFCEMO C[N@H+]1CCc2cc(O)c(O)cc2[C@@H]1c1ccccc1 ZINC000013739901 372045870 /nfs/dbraw/zinc/04/58/70/372045870.db2.gz MLHHCALLRFUZLA-INIZCTEOSA-N 1 1 255.317 2.675 10 10 CFCEMO Cc1ccc(O)c(C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000092810954 375158380 /nfs/dbraw/zinc/15/83/80/375158380.db2.gz NFLRJWNNOMWUFZ-UHFFFAOYSA-N 1 1 271.364 2.803 10 10 CFCEMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CCS1 ZINC000131301342 377691465 /nfs/dbraw/zinc/69/14/65/377691465.db2.gz YBMSMVFNYZNVTK-LBPRGKRZSA-N 1 1 250.411 2.690 10 10 CFCEMO Cc1cc(O)c(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1C ZINC000246931265 383122730 /nfs/dbraw/zinc/12/27/30/383122730.db2.gz DNPWAFBHHLSETL-ZBFHGGJFSA-N 1 1 274.408 2.678 10 10 CFCEMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H]1N(C)C ZINC000251671068 383393148 /nfs/dbraw/zinc/39/31/48/383393148.db2.gz HJPJXSRDNBLFNK-CXAGYDPISA-N 1 1 284.403 2.927 10 10 CFCEMO C[C@H]1CCC[N@@H+](CCCC(=O)Nc2ccc(N)cc2)C1 ZINC000022154912 171361817 /nfs/dbraw/zinc/36/18/17/171361817.db2.gz QDBQNBWMAGDMKD-ZDUSSCGKSA-N 1 1 275.396 2.719 10 10 CFCEMO CC(C)[C@@H](C[NH2+]Cc1cccc(F)c1O)N1CCCC1 ZINC000164940695 519795080 /nfs/dbraw/zinc/79/50/80/519795080.db2.gz UCQVMDGDOOHMPB-OAHLLOKOSA-N 1 1 280.387 2.741 10 10 CFCEMO CCC1(C[NH2+]Cc2cccc(F)c2O)CCOCC1 ZINC000272507848 519842863 /nfs/dbraw/zinc/84/28/63/519842863.db2.gz WQFLANTYAUBPPQ-UHFFFAOYSA-N 1 1 267.344 2.828 10 10 CFCEMO CC1(C)C[C@@H]([NH2+]Cc2cccc(F)c2O)CCO1 ZINC000158835421 520524473 /nfs/dbraw/zinc/52/44/73/520524473.db2.gz LRXXZHQZWWVHOK-NSHDSACASA-N 1 1 253.317 2.579 10 10 CFCEMO CN(C)[C@@H](C[NH2+]Cc1cccc(F)c1O)c1ccccc1 ZINC000164932565 522029821 /nfs/dbraw/zinc/02/98/21/522029821.db2.gz PNZZRQCEAZKZER-INIZCTEOSA-N 1 1 288.366 2.924 10 10 CFCEMO CN(C)[C@H](C[NH2+]Cc1cccc(F)c1O)c1ccccc1 ZINC000164932684 522086557 /nfs/dbraw/zinc/08/65/57/522086557.db2.gz PNZZRQCEAZKZER-MRXNPFEDSA-N 1 1 288.366 2.924 10 10 CFCEMO Oc1cc2c(cc1C[N@H+]1CC[C@H]3CCCC[C@H]31)OCO2 ZINC000229104787 526337231 /nfs/dbraw/zinc/33/72/31/526337231.db2.gz FMEWYYZXGVVBMC-DGCLKSJQSA-N 1 1 275.348 2.885 10 10 CFCEMO Nc1cccc(Cl)c1N[C@@H]1CC[N@H+]2CCC[C@H]12 ZINC000049564692 527518750 /nfs/dbraw/zinc/51/87/50/527518750.db2.gz YHFHKJHAXZJKKU-VXGBXAGGSA-N 1 1 251.761 2.571 10 10 CFCEMO Cc1ncsc1C[NH2+]Cc1cccc(F)c1O ZINC000158766988 650236339 /nfs/dbraw/zinc/23/63/39/650236339.db2.gz ZXJKZZWBJGOJNU-UHFFFAOYSA-N 1 1 252.314 2.586 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CCCCS1 ZINC000158813866 650237033 /nfs/dbraw/zinc/23/70/33/650237033.db2.gz CGOOIMUWCMZMFT-NSHDSACASA-N 1 1 255.358 2.907 10 10 CFCEMO Cc1cccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2)c1O ZINC000188420441 650328561 /nfs/dbraw/zinc/32/85/61/650328561.db2.gz CXLBYRUHENSWFX-OAHLLOKOSA-N 1 1 271.364 2.562 10 10 CFCEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(N(C)C)cc1 ZINC000248419221 650933294 /nfs/dbraw/zinc/93/32/94/650933294.db2.gz UTTXXSHIWGVCEC-AEFFLSMTSA-N 1 1 287.451 2.811 10 10 CFCEMO C[N@@H+](CCOc1ccc(N)cc1)Cc1ccc(F)cc1 ZINC000036797668 346325151 /nfs/dbraw/zinc/32/51/51/346325151.db2.gz FZBWDVJECDBVMC-UHFFFAOYSA-N 1 1 274.339 2.919 10 10 CFCEMO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000179942926 380602219 /nfs/dbraw/zinc/60/22/19/380602219.db2.gz NPINTIQFINFXQE-DZGCQCFKSA-N 1 1 265.328 2.675 10 10 CFCEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000180130922 380622294 /nfs/dbraw/zinc/62/22/94/380622294.db2.gz MADKAYRSOQJSKO-MRXNPFEDSA-N 1 1 285.391 2.870 10 10 CFCEMO C[N@@H+]1Cc2ccccc2N[C@H](c2ccc(O)c(O)c2)C1 ZINC000199561016 382771951 /nfs/dbraw/zinc/77/19/51/382771951.db2.gz MCVVDPDRJKBMRV-AWEZNQCLSA-N 1 1 270.332 2.696 10 10 CFCEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(C)c1O ZINC000248406598 383238183 /nfs/dbraw/zinc/23/81/83/383238183.db2.gz BYZDKRLFMLHAAQ-CVEARBPZSA-N 1 1 274.408 2.759 10 10 CFCEMO CC[C@@H]1CN2CCC[C@H]2C[N@@H+]1Cc1cccc(C)c1O ZINC000248406598 383238188 /nfs/dbraw/zinc/23/81/88/383238188.db2.gz BYZDKRLFMLHAAQ-CVEARBPZSA-N 1 1 274.408 2.759 10 10 CFCEMO CC[C@@H]1CN2CCC[C@H]2C[N@H+]1Cc1cccc(C)c1O ZINC000248406598 383238191 /nfs/dbraw/zinc/23/81/91/383238191.db2.gz BYZDKRLFMLHAAQ-CVEARBPZSA-N 1 1 274.408 2.759 10 10 CFCEMO C[C@@H]1CCCC[N@H+]1CCCC(=O)Nc1ccc(N)cc1 ZINC000022154627 171361239 /nfs/dbraw/zinc/36/12/39/171361239.db2.gz XJTOIOZNAQNVHG-CYBMUJFWSA-N 1 1 275.396 2.862 10 10 CFCEMO CCC[N@H+](CCN(CC)CC)Cc1ccc(N)cc1 ZINC000035364806 172154673 /nfs/dbraw/zinc/15/46/73/172154673.db2.gz IKEPVNLAANQLJC-UHFFFAOYSA-N 1 1 263.429 2.823 10 10 CFCEMO CCC[N@@H+](CCN(CC)CC)Cc1ccc(N)cc1 ZINC000035364806 172154674 /nfs/dbraw/zinc/15/46/74/172154674.db2.gz IKEPVNLAANQLJC-UHFFFAOYSA-N 1 1 263.429 2.823 10 10 CFCEMO Nc1ccc(C[N@@H+](Cc2cccnc2)C2CC2)cc1 ZINC000035365985 172157240 /nfs/dbraw/zinc/15/72/40/172157240.db2.gz APSHMNZIOJZBAR-UHFFFAOYSA-N 1 1 253.349 2.828 10 10 CFCEMO C[C@@H]1C[C@H](C)C[N@@H+]([C@H](CN)c2ccc(N(C)C)cc2)C1 ZINC000039789104 174173311 /nfs/dbraw/zinc/17/33/11/174173311.db2.gz SQVKGXOMBXNWKR-JKIFEVAISA-N 1 1 275.440 2.730 10 10 CFCEMO C[C@@H]1C[C@H](C)CN([C@H](C[NH3+])c2ccc(N(C)C)cc2)C1 ZINC000039789104 174173313 /nfs/dbraw/zinc/17/33/13/174173313.db2.gz SQVKGXOMBXNWKR-JKIFEVAISA-N 1 1 275.440 2.730 10 10 CFCEMO CC[N@@H+](Cc1cccc(F)c1O)C[C@H]1CCCO1 ZINC000160206645 521348770 /nfs/dbraw/zinc/34/87/70/521348770.db2.gz WKUSIOWAMLJJNY-GFCCVEGCSA-N 1 1 253.317 2.532 10 10 CFCEMO CC[N@H+](Cc1cccc(F)c1O)C[C@H]1CCCO1 ZINC000160206645 521348775 /nfs/dbraw/zinc/34/87/75/521348775.db2.gz WKUSIOWAMLJJNY-GFCCVEGCSA-N 1 1 253.317 2.532 10 10 CFCEMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)COC(C)(C)C ZINC000076074445 521690238 /nfs/dbraw/zinc/69/02/38/521690238.db2.gz ZADNXARCZSYAMR-HNNXBMFYSA-N 1 1 295.423 2.780 10 10 CFCEMO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)CC(C)(C)O1 ZINC000160215545 525006068 /nfs/dbraw/zinc/00/60/68/525006068.db2.gz ICVHXSTXSQMUAM-SNVBAGLBSA-N 1 1 253.317 2.531 10 10 CFCEMO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CC(C)(C)O1 ZINC000160215545 525006079 /nfs/dbraw/zinc/00/60/79/525006079.db2.gz ICVHXSTXSQMUAM-SNVBAGLBSA-N 1 1 253.317 2.531 10 10 CFCEMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@H]1CCCO1 ZINC000246219312 525609607 /nfs/dbraw/zinc/60/96/07/525609607.db2.gz PYQYBLXEBAPVEZ-IMSIIYSGSA-N 1 1 253.317 2.749 10 10 CFCEMO Cc1cccc(C[N@H+]2CCC[C@H]2Cn2ccnc2)c1O ZINC000188420464 618171553 /nfs/dbraw/zinc/17/15/53/618171553.db2.gz CXLBYRUHENSWFX-HNNXBMFYSA-N 1 1 271.364 2.562 10 10 CFCEMO CN(C)C[C@@H]([NH2+]Cc1cccc(F)c1O)c1ccccc1 ZINC000164936561 622974857 /nfs/dbraw/zinc/97/48/57/622974857.db2.gz ZJGKNAASJMFDFV-MRXNPFEDSA-N 1 1 288.366 2.924 10 10 CFCEMO COc1ccc(O)c(C[NH2+][C@@H](C)c2ncc(C)o2)c1 ZINC000227556004 623113507 /nfs/dbraw/zinc/11/35/07/623113507.db2.gz DVPRLSHWYROLHC-JTQLQIEISA-N 1 1 262.309 2.548 10 10 CFCEMO C[C@H](CC(F)(F)F)[NH2+]Cc1cccc(F)c1O ZINC000231901524 623375720 /nfs/dbraw/zinc/37/57/20/623375720.db2.gz SEODSVSSTMAESD-SSDOTTSWSA-N 1 1 251.223 2.962 10 10 CFCEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090225476 375006295 /nfs/dbraw/zinc/00/62/95/375006295.db2.gz JZMXANLFLNSRSG-WBMJQRKESA-N 1 1 299.422 2.838 10 10 CFCEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cccc(C)c1O ZINC000124597135 377068121 /nfs/dbraw/zinc/06/81/21/377068121.db2.gz QPBQTROHEVJTIQ-OAHLLOKOSA-N 1 1 262.397 2.617 10 10 CFCEMO CCN1CCC[C@@H]1C[N@H+](C)Cc1cccc(C)c1O ZINC000124597135 377068135 /nfs/dbraw/zinc/06/81/35/377068135.db2.gz QPBQTROHEVJTIQ-OAHLLOKOSA-N 1 1 262.397 2.617 10 10 CFCEMO CCN1CCC[C@@H]1C[N@@H+](C)Cc1cccc(C)c1O ZINC000124597135 377068149 /nfs/dbraw/zinc/06/81/49/377068149.db2.gz QPBQTROHEVJTIQ-OAHLLOKOSA-N 1 1 262.397 2.617 10 10 CFCEMO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000131939899 377782003 /nfs/dbraw/zinc/78/20/03/377782003.db2.gz OUBALTNSWQDZQI-HNNXBMFYSA-N 1 1 271.364 2.771 10 10 CFCEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000180239627 380638312 /nfs/dbraw/zinc/63/83/12/380638312.db2.gz HLXNYAQOYATUMJ-OAHLLOKOSA-N 1 1 289.354 2.701 10 10 CFCEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)c1 ZINC000180121022 380622178 /nfs/dbraw/zinc/62/21/78/380622178.db2.gz AYGZERPJDVHEGD-OAHLLOKOSA-N 1 1 289.354 2.873 10 10 CFCEMO CC(C)N(CC[NH2+][C@@H](C)c1cc(O)ccc1O)C(C)C ZINC000019901082 170913257 /nfs/dbraw/zinc/91/32/57/170913257.db2.gz ZCZYMHASJXRHFR-ZDUSSCGKSA-N 1 1 280.412 2.867 10 10 CFCEMO C[C@@H](C(=O)Nc1ccc(N)cc1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022213788 171375144 /nfs/dbraw/zinc/37/51/44/171375144.db2.gz YQLDPZVXKCRWIL-XQQFMLRXSA-N 1 1 275.396 2.574 10 10 CFCEMO CCN(CC)c1ccc([C@H](CN)[NH+]2CCCC2)cc1 ZINC000039789119 174173288 /nfs/dbraw/zinc/17/32/88/174173288.db2.gz JJTWEXUWESYUCE-INIZCTEOSA-N 1 1 261.413 2.628 10 10 CFCEMO Cc1noc(C[NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3C)n1 ZINC000038034414 326869034 /nfs/dbraw/zinc/86/90/34/326869034.db2.gz REROKYUAWYFSMW-GXSJLCMTSA-N 1 1 273.336 2.730 10 10 CFCEMO Cc1noc(C[NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3C)n1 ZINC000038034413 326869136 /nfs/dbraw/zinc/86/91/36/326869136.db2.gz REROKYUAWYFSMW-MWLCHTKSSA-N 1 1 273.336 2.730 10 10 CFCEMO CC(C)N1CCN(c2ccc([C@H](C)[NH3+])cc2Cl)CC1 ZINC000061695479 519683898 /nfs/dbraw/zinc/68/38/98/519683898.db2.gz LSZUVMYQLFUCOK-LBPRGKRZSA-N 1 1 281.831 2.890 10 10 CFCEMO CC[N@H+]1CCC[C@@H](Nc2c(N)cccc2Cl)C1 ZINC000049193381 521625814 /nfs/dbraw/zinc/62/58/14/521625814.db2.gz NEQTVVOYFFFCAY-SNVBAGLBSA-N 1 1 253.777 2.818 10 10 CFCEMO CC[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 ZINC000164722686 522717104 /nfs/dbraw/zinc/71/71/04/522717104.db2.gz DDTCMMUTVGQBOY-JKSUJKDBSA-N 1 1 299.422 2.920 10 10 CFCEMO COCCC(C)(C)C[NH2+]Cc1cccc(F)c1O ZINC000230943384 522984534 /nfs/dbraw/zinc/98/45/34/522984534.db2.gz QUHZNBVZDGSERH-UHFFFAOYSA-N 1 1 255.333 2.684 10 10 CFCEMO COCC[N@@H+](Cc1cccc(F)c1O)CC(C)C ZINC000160206382 523752693 /nfs/dbraw/zinc/75/26/93/523752693.db2.gz DDZBKUBHBYLHOG-UHFFFAOYSA-N 1 1 255.333 2.636 10 10 CFCEMO COCC[N@H+](Cc1cccc(F)c1O)CC(C)C ZINC000160206382 523752695 /nfs/dbraw/zinc/75/26/95/523752695.db2.gz DDZBKUBHBYLHOG-UHFFFAOYSA-N 1 1 255.333 2.636 10 10 CFCEMO COc1ccc(C[NH2+]Cc2cccc(F)c2O)cc1OC ZINC000164934756 524073168 /nfs/dbraw/zinc/07/31/68/524073168.db2.gz VRFUXJMMRDVAMS-UHFFFAOYSA-N 1 1 291.322 2.838 10 10 CFCEMO COc1ccccc1CC[NH2+]Cc1cccc(F)c1O ZINC000226582621 524421885 /nfs/dbraw/zinc/42/18/85/524421885.db2.gz ZAYDMTGNPIDIFM-UHFFFAOYSA-N 1 1 275.323 2.872 10 10 CFCEMO COc1ccc(O)c(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000245861574 524745924 /nfs/dbraw/zinc/74/59/24/524745924.db2.gz OYXAZPFMKXYLSE-WMLDXEAASA-N 1 1 291.391 2.528 10 10 CFCEMO C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(F)c1[O-] ZINC000164928482 526249110 /nfs/dbraw/zinc/24/91/10/526249110.db2.gz AKKMRBSTWBPZRH-ZDUSSCGKSA-N 1 1 280.387 2.885 10 10 CFCEMO Oc1cc2c(cc1CN1CC[N@H+]3CCC[C@@H]3C1)CCCC2 ZINC000179444273 618276189 /nfs/dbraw/zinc/27/61/89/618276189.db2.gz HUUBJLPVIGPPBL-QGZVFWFLSA-N 1 1 286.419 2.551 10 10 CFCEMO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(F)cc1O ZINC000062747912 623296014 /nfs/dbraw/zinc/29/60/14/623296014.db2.gz KTATZVVCVJICCA-PWSUYJOCSA-N 1 1 253.317 2.751 10 10 CFCEMO CN(C)c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000091978578 375074155 /nfs/dbraw/zinc/07/41/55/375074155.db2.gz DVRGRFFHYSBGTG-IRXDYDNUSA-N 1 1 274.408 2.896 10 10 CFCEMO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000091979281 375074551 /nfs/dbraw/zinc/07/45/51/375074551.db2.gz XSENZSXVVIVIMV-DOTOQJQBSA-N 1 1 291.391 2.934 10 10 CFCEMO C[N@@H+](Cc1cccc(F)c1[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289224538 381028721 /nfs/dbraw/zinc/02/87/21/381028721.db2.gz CQVJRSQQWBKGJW-PBWFPOADSA-N 1 1 278.371 2.588 10 10 CFCEMO C[NH+](Cc1cccc(F)c1[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289224538 381028726 /nfs/dbraw/zinc/02/87/26/381028726.db2.gz CQVJRSQQWBKGJW-PBWFPOADSA-N 1 1 278.371 2.588 10 10 CFCEMO C[NH+](Cc1cccc(F)c1[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289224538 381028730 /nfs/dbraw/zinc/02/87/30/381028730.db2.gz CQVJRSQQWBKGJW-PBWFPOADSA-N 1 1 278.371 2.588 10 10 CFCEMO Cc1cccnc1CC[NH2+]Cc1cccc(F)c1O ZINC000294917244 382543592 /nfs/dbraw/zinc/54/35/92/382543592.db2.gz FHVBGMCCHTZVGW-UHFFFAOYSA-N 1 1 260.312 2.567 10 10 CFCEMO Cc1cccc(C[N@@H+]2C[C@@H]3CCCCN3C[C@H]2C)c1O ZINC000252730846 383430174 /nfs/dbraw/zinc/43/01/74/383430174.db2.gz NCFFDXXULYWNOM-ZBFHGGJFSA-N 1 1 274.408 2.759 10 10 CFCEMO CCN(CC)CC[N@H+](Cc1ccc(N)cc1)C(C)C ZINC000035365388 172155402 /nfs/dbraw/zinc/15/54/02/172155402.db2.gz GVWNFMRYGRRKJH-UHFFFAOYSA-N 1 1 263.429 2.821 10 10 CFCEMO CCN(CC)CC[N@@H+](Cc1ccc(N)cc1)C(C)C ZINC000035365388 172155403 /nfs/dbraw/zinc/15/54/03/172155403.db2.gz GVWNFMRYGRRKJH-UHFFFAOYSA-N 1 1 263.429 2.821 10 10 CFCEMO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[N@@H+]1CCCNCC1 ZINC000038087000 174098557 /nfs/dbraw/zinc/09/85/57/174098557.db2.gz CSYQGLJIPIQYKU-QWHCGFSZSA-N 1 1 260.381 2.544 10 10 CFCEMO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[N@H+]1CCCNCC1 ZINC000038087000 174098559 /nfs/dbraw/zinc/09/85/59/174098559.db2.gz CSYQGLJIPIQYKU-QWHCGFSZSA-N 1 1 260.381 2.544 10 10 CFCEMO CC(C)(C)[C@H]1C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC000280382876 518981185 /nfs/dbraw/zinc/98/11/85/518981185.db2.gz FPGBPTAYPYYBLB-CYBMUJFWSA-N 1 1 267.344 2.778 10 10 CFCEMO CC(C)(C)[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCO1 ZINC000280382876 518981187 /nfs/dbraw/zinc/98/11/87/518981187.db2.gz FPGBPTAYPYYBLB-CYBMUJFWSA-N 1 1 267.344 2.778 10 10 CFCEMO COc1ccc(CC[NH2+]Cc2cccc(F)c2O)cc1 ZINC000164926685 523975618 /nfs/dbraw/zinc/97/56/18/523975618.db2.gz YECCVTRYDKGLGA-UHFFFAOYSA-N 1 1 275.323 2.872 10 10 CFCEMO Cc1cccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1O ZINC000228174467 524404453 /nfs/dbraw/zinc/40/44/53/524404453.db2.gz RGGZQQILVNXGJS-CABCVRRESA-N 1 1 261.365 2.844 10 10 CFCEMO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc(F)c1O ZINC000227688384 524695320 /nfs/dbraw/zinc/69/53/20/524695320.db2.gz YAUNCDIQNRYFQD-JTQLQIEISA-N 1 1 298.358 2.534 10 10 CFCEMO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccc(F)cc1O ZINC000062745441 525654406 /nfs/dbraw/zinc/65/44/06/525654406.db2.gz PYQYBLXEBAPVEZ-RULNRJAQSA-N 1 1 253.317 2.749 10 10 CFCEMO CCC(C)(C)OCC[NH2+]Cc1cccc(F)c1O ZINC000308539081 617692934 /nfs/dbraw/zinc/69/29/34/617692934.db2.gz HYVAUAXKWIBTBX-UHFFFAOYSA-N 1 1 255.333 2.826 10 10 CFCEMO OCC1(C[NH2+]Cc2cccc(F)c2O)CCCCC1 ZINC000164074306 622934949 /nfs/dbraw/zinc/93/49/49/622934949.db2.gz GBXALKLUHIVTTR-UHFFFAOYSA-N 1 1 267.344 2.564 10 10 CFCEMO Cn1cc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)CCC3)cn1 ZINC000171361541 623217545 /nfs/dbraw/zinc/21/75/45/623217545.db2.gz GTFBDGFHCHJUCM-KRWDZBQOSA-N 1 1 297.402 2.952 10 10 CFCEMO Cn1cc([C@H]2CC[N@@H+](Cc3cc4c(cc3O)CCC4)C2)cn1 ZINC000116257974 636323777 /nfs/dbraw/zinc/32/37/77/636323777.db2.gz HCKZOGKXYKPFNS-HNNXBMFYSA-N 1 1 297.402 2.604 10 10 CFCEMO C[N@@H+](CCOc1ccc(N)cc1)Cc1ccccc1 ZINC000019731846 346242058 /nfs/dbraw/zinc/24/20/58/346242058.db2.gz VQAWOAHMJCDEGE-UHFFFAOYSA-N 1 1 256.349 2.780 10 10 CFCEMO COc1ccc(O)c(C[NH+]2CCC(c3ccn[nH]3)CC2)c1 ZINC000179981827 380605925 /nfs/dbraw/zinc/60/59/25/380605925.db2.gz SOYFYOYFFXSCNL-UHFFFAOYSA-N 1 1 287.363 2.504 10 10 CFCEMO CCC[C@@]1([NH2+]Cc2cccc(F)c2O)CCOC1 ZINC000289845971 520964973 /nfs/dbraw/zinc/96/49/73/520964973.db2.gz UUGDTDJWTAXMKC-CQSZACIVSA-N 1 1 253.317 2.580 10 10 CFCEMO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(F)cc1O ZINC000062745438 525524009 /nfs/dbraw/zinc/52/40/09/525524009.db2.gz PYQYBLXEBAPVEZ-BHDSKKPTSA-N 1 1 253.317 2.749 10 10 CFCEMO Oc1c(Cl)cccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245651408 526326216 /nfs/dbraw/zinc/32/62/16/526326216.db2.gz HNTOAGXODLBEIA-ZDUSSCGKSA-N 1 1 280.799 2.716 10 10 CFCEMO Oc1c(Cl)cccc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000245651408 526326219 /nfs/dbraw/zinc/32/62/19/526326219.db2.gz HNTOAGXODLBEIA-ZDUSSCGKSA-N 1 1 280.799 2.716 10 10 CFCEMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2Cn2ccnc2)c1 ZINC000188416171 618169155 /nfs/dbraw/zinc/16/91/55/618169155.db2.gz HWPXKUNHGKQBTC-OAHLLOKOSA-N 1 1 271.364 2.562 10 10 CFCEMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)cc1 ZINC000191732808 618384624 /nfs/dbraw/zinc/38/46/24/618384624.db2.gz ORQOWEYCEZHDHT-ZBFHGGJFSA-N 1 1 276.424 2.593 10 10 CFCEMO CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311544270 618714930 /nfs/dbraw/zinc/71/49/30/618714930.db2.gz UQTVGBZAQRILLY-XNRPHZJLSA-N 1 1 262.397 2.760 10 10 CFCEMO CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311544270 618714931 /nfs/dbraw/zinc/71/49/31/618714931.db2.gz UQTVGBZAQRILLY-XNRPHZJLSA-N 1 1 262.397 2.760 10 10 CFCEMO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000062747961 619161218 /nfs/dbraw/zinc/16/12/18/619161218.db2.gz GMMYFTZUSHMYHC-AAEUAGOBSA-N 1 1 266.360 2.666 10 10 CFCEMO CCOC(=O)C1CCC([NH2+]Cc2cccc(F)c2O)CC1 ZINC000165029717 622978550 /nfs/dbraw/zinc/97/85/50/622978550.db2.gz YZDZTTQRRGJELY-UHFFFAOYSA-N 1 1 295.354 2.743 10 10 CFCEMO Cn1cc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)CCC3)cn1 ZINC000171361545 623217648 /nfs/dbraw/zinc/21/76/48/623217648.db2.gz GTFBDGFHCHJUCM-QGZVFWFLSA-N 1 1 297.402 2.952 10 10 CFCEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(N(C)C)cc1 ZINC000182075219 625255115 /nfs/dbraw/zinc/25/51/15/625255115.db2.gz UTTXXSHIWGVCEC-FUHWJXTLSA-N 1 1 287.451 2.811 10 10 CFCEMO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2O)C1 ZINC000246182490 650857589 /nfs/dbraw/zinc/85/75/89/650857589.db2.gz GMMYFTZUSHMYHC-DGCLKSJQSA-N 1 1 266.360 2.666 10 10 CFCEMO CCCCOCCC[NH2+]Cc1cccc(F)c1O ZINC000083410770 374742942 /nfs/dbraw/zinc/74/29/42/374742942.db2.gz KQBCMGWYRUAGFE-UHFFFAOYSA-N 1 1 255.333 2.828 10 10 CFCEMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1 ZINC000131802981 377761209 /nfs/dbraw/zinc/76/12/09/377761209.db2.gz FAHNGTCRWBXVGR-KRWDZBQOSA-N 1 1 284.407 2.823 10 10 CFCEMO COC1(C[NH2+]Cc2cccc(F)c2O)CCCC1 ZINC000296021463 381214907 /nfs/dbraw/zinc/21/49/07/381214907.db2.gz MLBYNPPZSRRRFZ-UHFFFAOYSA-N 1 1 253.317 2.580 10 10 CFCEMO COC(=O)[C@]1(C)CCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000189990512 382648893 /nfs/dbraw/zinc/64/88/93/382648893.db2.gz PJZXYHXVYDXNHH-INIZCTEOSA-N 1 1 277.364 2.537 10 10 CFCEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1O ZINC000248403513 393908248 /nfs/dbraw/zinc/90/82/48/393908248.db2.gz YMUXIZLXVNDCFA-CABCVRRESA-N 1 1 278.371 2.590 10 10 CFCEMO C[C@@H](c1ccc2ccccc2c1O)[NH+]1CCNCC1 ZINC000038086692 174097860 /nfs/dbraw/zinc/09/78/60/174097860.db2.gz SCNXNMKOKUEANE-LBPRGKRZSA-N 1 1 256.349 2.512 10 10 CFCEMO CN(C)c1ccc([C@H](C[NH3+])N2CCCCCC2)cc1 ZINC000038827608 174156681 /nfs/dbraw/zinc/15/66/81/174156681.db2.gz WJHUOZXOMLSMDF-INIZCTEOSA-N 1 1 261.413 2.628 10 10 CFCEMO CC(C)N1CCN(c2ccc([C@@H](C)[NH3+])cc2Cl)CC1 ZINC000061695478 519683986 /nfs/dbraw/zinc/68/39/86/519683986.db2.gz LSZUVMYQLFUCOK-GFCCVEGCSA-N 1 1 281.831 2.890 10 10 CFCEMO CC(C)[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062748212 519814780 /nfs/dbraw/zinc/81/47/80/519814780.db2.gz PXGLGWSOYYUGEA-FZMZJTMJSA-N 1 1 268.376 2.768 10 10 CFCEMO Cc1cccc(C[N@@H+]2C[C@H]3CCCCN3C[C@@H]2C)c1O ZINC000158034280 524411406 /nfs/dbraw/zinc/41/14/06/524411406.db2.gz NCFFDXXULYWNOM-GOEBONIOSA-N 1 1 274.408 2.759 10 10 CFCEMO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 ZINC000164682874 525564354 /nfs/dbraw/zinc/56/43/54/525564354.db2.gz WTBHCKAOTHRHJY-SWLSCSKDSA-N 1 1 285.395 2.530 10 10 CFCEMO [NH3+][C@@H](c1cc(Br)cc(F)c1O)C1CC1 ZINC000095716538 618288007 /nfs/dbraw/zinc/28/80/07/618288007.db2.gz LARDRDCTBCNLLI-SECBINFHSA-N 1 1 260.106 2.704 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]CCc1cccs1 ZINC000158670785 618414185 /nfs/dbraw/zinc/41/41/85/618414185.db2.gz MOPGGPUYJAGCGR-UHFFFAOYSA-N 1 1 251.326 2.925 10 10 CFCEMO CC(C)[N@@H+](Cc1cc2c(cc1O)OCO2)C1CCC1 ZINC000093608405 619038693 /nfs/dbraw/zinc/03/86/93/619038693.db2.gz RBHHNMZAAPCMMV-UHFFFAOYSA-N 1 1 263.337 2.884 10 10 CFCEMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000164338081 622949585 /nfs/dbraw/zinc/94/95/85/622949585.db2.gz WTDUCRZPNDSUCA-CQSZACIVSA-N 1 1 285.391 2.732 10 10 CFCEMO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(F)c2O)cc1 ZINC000165033677 622979423 /nfs/dbraw/zinc/97/94/23/622979423.db2.gz ICYLFRCSMGLAAY-UHFFFAOYSA-N 1 1 290.294 2.772 10 10 CFCEMO Cc1cnc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)o1 ZINC000231527764 623355102 /nfs/dbraw/zinc/35/51/02/623355102.db2.gz UCEGFFNLFXUEHO-SECBINFHSA-N 1 1 250.273 2.679 10 10 CFCEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1c(O)cccc1Cl ZINC000156083775 650042696 /nfs/dbraw/zinc/04/26/96/650042696.db2.gz ZZYRSWGGJRUQEY-LBPRGKRZSA-N 1 1 282.815 2.962 10 10 CFCEMO CC1CCC(O)(C[NH2+]Cc2cccc(F)c2O)CC1 ZINC000158790692 650237139 /nfs/dbraw/zinc/23/71/39/650237139.db2.gz SUEOMSCZRSWJHA-UHFFFAOYSA-N 1 1 267.344 2.562 10 10 CFCEMO Nc1ccc([NH+]2CCC(c3[nH]nc4ncccc43)CC2)cc1 ZINC000584592963 348682100 /nfs/dbraw/zinc/68/21/00/348682100.db2.gz QUCRYBPSIJAQAF-UHFFFAOYSA-N 1 1 293.374 2.924 10 10 CFCEMO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)c1 ZINC000179572757 380558613 /nfs/dbraw/zinc/55/86/13/380558613.db2.gz DPFKKHMTTBYMLV-OAHLLOKOSA-N 1 1 271.364 2.734 10 10 CFCEMO COc1ccc(O)c(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000180373842 380649118 /nfs/dbraw/zinc/64/91/18/380649118.db2.gz OYXAZPFMKXYLSE-PBHICJAKSA-N 1 1 291.391 2.528 10 10 CFCEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186097391 381822866 /nfs/dbraw/zinc/82/28/66/381822866.db2.gz XXJMAJVYLOFAOH-NOZJJQNGSA-N 1 1 290.342 2.617 10 10 CFCEMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188410469 382410040 /nfs/dbraw/zinc/41/00/40/382410040.db2.gz FVRKOAQIQPJIBJ-AWEZNQCLSA-N 1 1 291.782 2.907 10 10 CFCEMO CC[C@@H](C)[C@H](C[NH2+]Cc1cccc(F)c1O)OC ZINC000294216212 382463137 /nfs/dbraw/zinc/46/31/37/382463137.db2.gz MYLDECXNGUTXRC-MFKMUULPSA-N 1 1 255.333 2.682 10 10 CFCEMO CC[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCCO1 ZINC000281262970 385190277 /nfs/dbraw/zinc/19/02/77/385190277.db2.gz NEZYSONJZIALIN-GFCCVEGCSA-N 1 1 253.317 2.532 10 10 CFCEMO CC[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCCO1 ZINC000281262970 385190287 /nfs/dbraw/zinc/19/02/87/385190287.db2.gz NEZYSONJZIALIN-GFCCVEGCSA-N 1 1 253.317 2.532 10 10 CFCEMO C[C@H]1CCCC[N@H+]1[C@@H](CN)c1ccc(N(C)C)cc1 ZINC000022162388 171364820 /nfs/dbraw/zinc/36/48/20/171364820.db2.gz JZDUDZVKVXVECM-BBRMVZONSA-N 1 1 261.413 2.627 10 10 CFCEMO C[C@H]1CCCCN1[C@@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000022162388 171364822 /nfs/dbraw/zinc/36/48/22/171364822.db2.gz JZDUDZVKVXVECM-BBRMVZONSA-N 1 1 261.413 2.627 10 10 CFCEMO C[C@@H](CNCc1ccc(N(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000040165711 174197404 /nfs/dbraw/zinc/19/74/04/174197404.db2.gz CMDGUWAJHIKDJY-INIZCTEOSA-N 1 1 289.467 2.963 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]CC1CCSCC1 ZINC000166116989 526327917 /nfs/dbraw/zinc/32/79/17/526327917.db2.gz JLNFHUNNKDAZFL-UHFFFAOYSA-N 1 1 255.358 2.764 10 10 CFCEMO CC1(C)C[C@H]([NH2+]Cc2cccc(F)c2O)CCO1 ZINC000158835297 520555932 /nfs/dbraw/zinc/55/59/32/520555932.db2.gz LRXXZHQZWWVHOK-LLVKDONJSA-N 1 1 253.317 2.579 10 10 CFCEMO CCC[C@]1([NH2+]Cc2cccc(F)c2O)CCOC1 ZINC000289845966 521322866 /nfs/dbraw/zinc/32/28/66/521322866.db2.gz UUGDTDJWTAXMKC-AWEZNQCLSA-N 1 1 253.317 2.580 10 10 CFCEMO CCOC1(C)CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000292701345 521635658 /nfs/dbraw/zinc/63/56/58/521635658.db2.gz CKDGSLPTNYSXOF-UHFFFAOYSA-N 1 1 267.344 2.922 10 10 CFCEMO CN(C)[C@H](C[NH2+]Cc1cccc(F)c1O)c1cccs1 ZINC000164939644 522087486 /nfs/dbraw/zinc/08/74/86/522087486.db2.gz OLBVVZVKQKBOBB-CYBMUJFWSA-N 1 1 294.395 2.985 10 10 CFCEMO COc1ccc(C[NH2+]Cc2cccc(F)c2O)c(OC)c1 ZINC000165041745 524073660 /nfs/dbraw/zinc/07/36/60/524073660.db2.gz OMMFJLQXJYOMNQ-UHFFFAOYSA-N 1 1 291.322 2.838 10 10 CFCEMO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(F)cc1O ZINC000273367788 525378617 /nfs/dbraw/zinc/37/86/17/525378617.db2.gz BWKSXAOJEJPYAO-TVQRCGJNSA-N 1 1 255.333 2.589 10 10 CFCEMO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(F)cc1O ZINC000062745439 525601545 /nfs/dbraw/zinc/60/15/45/525601545.db2.gz PYQYBLXEBAPVEZ-BFVZDQMLSA-N 1 1 253.317 2.749 10 10 CFCEMO COC1(CC[NH2+]Cc2cccc(F)c2O)CCC1 ZINC000310917647 618656653 /nfs/dbraw/zinc/65/66/53/618656653.db2.gz ZNHPJYRBLPVJCE-UHFFFAOYSA-N 1 1 253.317 2.580 10 10 CFCEMO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCCCN3C[C@@H]2C)c1 ZINC000211545995 644957127 /nfs/dbraw/zinc/95/71/27/644957127.db2.gz LKYVFTYYQPYXSS-HOCLYGCPSA-N 1 1 274.408 2.759 10 10 CFCEMO C[N@H+]1CCc2cc(O)c(O)cc2[C@H]1c1ccccc1 ZINC000013739902 372046908 /nfs/dbraw/zinc/04/69/08/372046908.db2.gz MLHHCALLRFUZLA-MRXNPFEDSA-N 1 1 255.317 2.675 10 10 CFCEMO CC[C@@H](C)[C@@H](C[NH2+]Cc1cccc(F)c1O)OC ZINC000294216214 382463536 /nfs/dbraw/zinc/46/35/36/382463536.db2.gz MYLDECXNGUTXRC-ZWNOBZJWSA-N 1 1 255.333 2.682 10 10 CFCEMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000245548447 383005632 /nfs/dbraw/zinc/00/56/32/383005632.db2.gz XSENZSXVVIVIMV-WBVHZDCISA-N 1 1 291.391 2.934 10 10 CFCEMO CN(C)c1ccc([C@@H](CN)[N@@H+](C)CC(C)(C)C)cc1 ZINC000020226120 171089338 /nfs/dbraw/zinc/08/93/38/171089338.db2.gz AMEYRDJMSWTIFF-OAHLLOKOSA-N 1 1 263.429 2.730 10 10 CFCEMO CN(C)c1ccc([C@@H](C[NH3+])N(C)CC(C)(C)C)cc1 ZINC000020226120 171089339 /nfs/dbraw/zinc/08/93/39/171089339.db2.gz AMEYRDJMSWTIFF-OAHLLOKOSA-N 1 1 263.429 2.730 10 10 CFCEMO CN(C)c1ccc(C[N@H+]2CCc3c(N)cccc3C2)cc1 ZINC000038032564 174029193 /nfs/dbraw/zinc/02/91/93/174029193.db2.gz BURNLEQAPKUOJR-UHFFFAOYSA-N 1 1 281.403 2.893 10 10 CFCEMO CCC(CC)(C[NH2+]Cc1cccc(F)c1O)OC ZINC000292777070 275954976 /nfs/dbraw/zinc/95/49/76/275954976.db2.gz KZBUSVLTNZBKIJ-UHFFFAOYSA-N 1 1 255.333 2.826 10 10 CFCEMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1O ZINC000246207851 523805171 /nfs/dbraw/zinc/80/51/71/523805171.db2.gz NIIPJYOZHMBWKD-YUELXQCFSA-N 1 1 289.375 2.698 10 10 CFCEMO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(Cl)c1O ZINC000246017206 524688293 /nfs/dbraw/zinc/68/82/93/524688293.db2.gz ZUGRRENNDLBBJT-AAEUAGOBSA-N 1 1 280.799 2.714 10 10 CFCEMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(Cl)c1O ZINC000246017206 524688298 /nfs/dbraw/zinc/68/82/98/524688298.db2.gz ZUGRRENNDLBBJT-AAEUAGOBSA-N 1 1 280.799 2.714 10 10 CFCEMO CSC1(C[NH2+]Cc2cccc(F)c2O)CCC1 ZINC000228089905 525333730 /nfs/dbraw/zinc/33/37/30/525333730.db2.gz DVQXPRYPWPTOED-UHFFFAOYSA-N 1 1 255.358 2.907 10 10 CFCEMO Cc1cc(Br)c(O)c([C@@H]([NH3+])C2CC2)c1 ZINC000757146375 617819708 /nfs/dbraw/zinc/81/97/08/617819708.db2.gz STWXEGHLILGEQD-JTQLQIEISA-N 1 1 256.143 2.873 10 10 CFCEMO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CCCCN3C[C@H]2C)c1 ZINC000228180323 618863182 /nfs/dbraw/zinc/86/31/82/618863182.db2.gz LKYVFTYYQPYXSS-GDBMZVCRSA-N 1 1 274.408 2.759 10 10 CFCEMO Cc1cc(C)c(O)c(C[N@H+]2CCS[C@@H](C)C2)c1 ZINC000164295196 622948407 /nfs/dbraw/zinc/94/84/07/622948407.db2.gz PIUDNUCKVXJOCC-LBPRGKRZSA-N 1 1 251.395 2.946 10 10 CFCEMO CS[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000226612689 623084560 /nfs/dbraw/zinc/08/45/60/623084560.db2.gz YIEIUGWBCPRPEL-WDEREUQCSA-N 1 1 255.358 2.905 10 10 CFCEMO Nc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000061702157 623228960 /nfs/dbraw/zinc/22/89/60/623228960.db2.gz SQKWZEXWXQDABB-QGZVFWFLSA-N 1 1 268.360 2.922 10 10 CFCEMO CCOc1cccc(C[NH2+][C@@H](C)c2ncc(C)o2)c1O ZINC000227555705 625944594 /nfs/dbraw/zinc/94/45/94/625944594.db2.gz BIAUICDUIDBJST-NSHDSACASA-N 1 1 276.336 2.938 10 10 CFCEMO C[N@H+]1CCc2cccc3c2[C@H]1Cc1cc(O)c(O)cc1-3 ZINC000003649984 346208795 /nfs/dbraw/zinc/20/87/95/346208795.db2.gz ISTXHGONSIOJQO-CQSZACIVSA-N 1 1 267.328 2.850 10 10 CFCEMO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000092831844 375162590 /nfs/dbraw/zinc/16/25/90/375162590.db2.gz QNHZOLXMCGUMPJ-AWEZNQCLSA-N 1 1 290.388 2.731 10 10 CFCEMO Cc1ccc(O)c(C[N@H+]2CCO[C@H](c3nccs3)C2)c1 ZINC000092831844 375162597 /nfs/dbraw/zinc/16/25/97/375162597.db2.gz QNHZOLXMCGUMPJ-AWEZNQCLSA-N 1 1 290.388 2.731 10 10 CFCEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cccc(C)c1O ZINC000124597381 377067090 /nfs/dbraw/zinc/06/70/90/377067090.db2.gz QPBQTROHEVJTIQ-HNNXBMFYSA-N 1 1 262.397 2.617 10 10 CFCEMO CCN1CCC[C@H]1C[N@H+](C)Cc1cccc(C)c1O ZINC000124597381 377067100 /nfs/dbraw/zinc/06/71/00/377067100.db2.gz QPBQTROHEVJTIQ-HNNXBMFYSA-N 1 1 262.397 2.617 10 10 CFCEMO CCN1CCC[C@H]1C[N@@H+](C)Cc1cccc(C)c1O ZINC000124597381 377067108 /nfs/dbraw/zinc/06/71/08/377067108.db2.gz QPBQTROHEVJTIQ-HNNXBMFYSA-N 1 1 262.397 2.617 10 10 CFCEMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1 ZINC000131803191 377762062 /nfs/dbraw/zinc/76/20/62/377762062.db2.gz FAHNGTCRWBXVGR-QGZVFWFLSA-N 1 1 284.407 2.823 10 10 CFCEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1O ZINC000184055353 381363680 /nfs/dbraw/zinc/36/36/80/381363680.db2.gz YMUXIZLXVNDCFA-HUUCEWRRSA-N 1 1 278.371 2.590 10 10 CFCEMO C[C@@H]1CC(C[NH2+]Cc2cccc(F)c2O)C[C@@H](C)O1 ZINC000281244275 385186624 /nfs/dbraw/zinc/18/66/24/385186624.db2.gz MCKVHMULDOYPMY-GHMZBOCLSA-N 1 1 267.344 2.825 10 10 CFCEMO CC(C)(C)[C@@H]1C[N@H+](Cc2cccc(F)c2O)CCO1 ZINC000280382886 518947064 /nfs/dbraw/zinc/94/70/64/518947064.db2.gz FPGBPTAYPYYBLB-ZDUSSCGKSA-N 1 1 267.344 2.778 10 10 CFCEMO CC(C)(C)[C@@H]1C[N@@H+](Cc2cccc(F)c2O)CCO1 ZINC000280382886 518947068 /nfs/dbraw/zinc/94/70/68/518947068.db2.gz FPGBPTAYPYYBLB-ZDUSSCGKSA-N 1 1 267.344 2.778 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1CCCSC1 ZINC000290228114 526331338 /nfs/dbraw/zinc/33/13/38/526331338.db2.gz SPPDVTVXMBCYOF-JTQLQIEISA-N 1 1 255.358 2.764 10 10 CFCEMO COc1ccc(C[NH2+]Cc2cccc(F)c2O)cc1 ZINC000083445912 618023740 /nfs/dbraw/zinc/02/37/40/618023740.db2.gz FTRMPNSDEQXIDL-UHFFFAOYSA-N 1 1 261.296 2.830 10 10 CFCEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc(C)c(C)cc1O ZINC000177159976 618358396 /nfs/dbraw/zinc/35/83/96/618358396.db2.gz NJMIPZMHFURFIU-MRXNPFEDSA-N 1 1 276.424 2.925 10 10 CFCEMO CCN1CCC[C@@H]1C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000177159976 618358405 /nfs/dbraw/zinc/35/84/05/618358405.db2.gz NJMIPZMHFURFIU-MRXNPFEDSA-N 1 1 276.424 2.925 10 10 CFCEMO CCN1CCC[C@@H]1C[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000177159976 618358415 /nfs/dbraw/zinc/35/84/15/618358415.db2.gz NJMIPZMHFURFIU-MRXNPFEDSA-N 1 1 276.424 2.925 10 10 CFCEMO C[C@](CO)([NH2+]Cc1cccc(F)c1O)c1ccccc1 ZINC000129381829 645173921 /nfs/dbraw/zinc/17/39/21/645173921.db2.gz JGLSHMGIXMPWOG-MRXNPFEDSA-N 1 1 275.323 2.529 10 10 CFCEMO N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1c1ccccc1O ZINC000096946961 185136940 /nfs/dbraw/zinc/13/69/40/185136940.db2.gz ANQQFDMYNZTMTO-RDJZCZTQSA-N 1 1 268.360 2.667 10 10 CFCEMO [NH3+][C@H]1CCN(Cc2ccccc2)[C@H]1c1ccccc1O ZINC000096946961 185136941 /nfs/dbraw/zinc/13/69/41/185136941.db2.gz ANQQFDMYNZTMTO-RDJZCZTQSA-N 1 1 268.360 2.667 10 10 CFCEMO COc1ccc(C[N@@H+](C)CCOc2ccc(N)cc2)cc1 ZINC000038439350 346338774 /nfs/dbraw/zinc/33/87/74/346338774.db2.gz KGVSZGUBQUXNSY-UHFFFAOYSA-N 1 1 286.375 2.788 10 10 CFCEMO CN(C)c1ccc([C@@H](N)[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000098088412 185685634 /nfs/dbraw/zinc/68/56/34/185685634.db2.gz XSUOYNMDPIEXBN-HDICACEKSA-N 1 1 298.434 2.518 10 10 CFCEMO CCC[N@@H+](Cc1ccccc1O)C[C@@](C)(O)CC ZINC000161328337 283297027 /nfs/dbraw/zinc/29/70/27/283297027.db2.gz GGFJSITWAUHEGH-HNNXBMFYSA-N 1 1 251.370 2.765 10 10 CFCEMO CN(C)[C@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000112590111 375933266 /nfs/dbraw/zinc/93/32/66/375933266.db2.gz YAELEGXUDQSAGB-AWEZNQCLSA-N 1 1 270.376 2.681 10 10 CFCEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1O ZINC000180239607 380638893 /nfs/dbraw/zinc/63/88/93/380638893.db2.gz HLXNYAQOYATUMJ-HNNXBMFYSA-N 1 1 289.354 2.701 10 10 CFCEMO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000179932163 380600152 /nfs/dbraw/zinc/60/01/52/380600152.db2.gz SXGMMRNABXHABJ-HNNXBMFYSA-N 1 1 290.407 2.581 10 10 CFCEMO CC[C@H](C)[C@@H](C[NH2+]Cc1cccc(F)c1O)OC ZINC000294216210 382463333 /nfs/dbraw/zinc/46/33/33/382463333.db2.gz MYLDECXNGUTXRC-GXFFZTMASA-N 1 1 255.333 2.682 10 10 CFCEMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)[C@H]2CCCO2)c1O ZINC000183137887 393516873 /nfs/dbraw/zinc/51/68/73/393516873.db2.gz CSQRNTYRHVQZJO-YMTOWFKASA-N 1 1 297.782 2.905 10 10 CFCEMO C[C@H]1CCCC[N@H+]1CCCC(=O)Nc1ccc(N)cc1 ZINC000022154631 171361355 /nfs/dbraw/zinc/36/13/55/171361355.db2.gz XJTOIOZNAQNVHG-ZDUSSCGKSA-N 1 1 275.396 2.862 10 10 CFCEMO C[C@H](c1ccc(O)cc1O)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032502 174028594 /nfs/dbraw/zinc/02/85/94/174028594.db2.gz VYJJHSGBDUSRTG-LLVKDONJSA-N 1 1 284.359 2.799 10 10 CFCEMO COC[C@H]1CCCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000368658430 267194450 /nfs/dbraw/zinc/19/44/50/267194450.db2.gz IVLUBSZTRSGTHI-LBPRGKRZSA-N 1 1 267.344 2.780 10 10 CFCEMO COC[C@H]1CCCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000368658430 267194455 /nfs/dbraw/zinc/19/44/55/267194455.db2.gz IVLUBSZTRSGTHI-LBPRGKRZSA-N 1 1 267.344 2.780 10 10 CFCEMO CCN1C(=O)/C(=C\C=C2\CCC[N@H+]2CC)SC1=S ZINC000100114619 276152353 /nfs/dbraw/zinc/15/23/53/276152353.db2.gz KKACEFKPAJPBRW-BDLVGCLISA-N 1 1 282.434 2.750 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]CCSC(F)(F)F ZINC000226585144 526331421 /nfs/dbraw/zinc/33/14/21/526331421.db2.gz KNIWPWVBRYCHQX-UHFFFAOYSA-N 1 1 269.263 2.874 10 10 CFCEMO Nc1cccc(Cl)c1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000049564310 527518789 /nfs/dbraw/zinc/51/87/89/527518789.db2.gz RUQUFIGMPCXPJW-QWHCGFSZSA-N 1 1 265.788 2.961 10 10 CFCEMO Cc1cc(C)c(O)c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000164393133 622951554 /nfs/dbraw/zinc/95/15/54/622951554.db2.gz HRPMOEYQJWANNZ-HOCLYGCPSA-N 1 1 274.408 2.678 10 10 CFCEMO Cc1cc(C)c(O)c(C[N@H+]2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000164393133 622951559 /nfs/dbraw/zinc/95/15/59/622951559.db2.gz HRPMOEYQJWANNZ-HOCLYGCPSA-N 1 1 274.408 2.678 10 10 CFCEMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H]3CCCN3C[C@@H]2C)c1 ZINC000164393133 622951561 /nfs/dbraw/zinc/95/15/61/622951561.db2.gz HRPMOEYQJWANNZ-HOCLYGCPSA-N 1 1 274.408 2.678 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]CCOc1ccccc1 ZINC000083445935 625849257 /nfs/dbraw/zinc/84/92/57/625849257.db2.gz XBSFZBMTYHDKLA-UHFFFAOYSA-N 1 1 261.296 2.700 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000158719717 650234148 /nfs/dbraw/zinc/23/41/48/650234148.db2.gz HCUIRUJUMBKSHG-ZDUSSCGKSA-N 1 1 257.308 2.961 10 10 CFCEMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(C)ccc1O ZINC000248398593 650932835 /nfs/dbraw/zinc/93/28/35/650932835.db2.gz NNYNWRKWYUBTHR-CVEARBPZSA-N 1 1 274.408 2.759 10 10 CFCEMO CC[C@@H]1CN2CCC[C@H]2C[N@@H+]1Cc1cc(C)ccc1O ZINC000248398593 650932836 /nfs/dbraw/zinc/93/28/36/650932836.db2.gz NNYNWRKWYUBTHR-CVEARBPZSA-N 1 1 274.408 2.759 10 10 CFCEMO CC[C@@H]1CN2CCC[C@H]2C[N@H+]1Cc1cc(C)ccc1O ZINC000248398593 650932838 /nfs/dbraw/zinc/93/28/38/650932838.db2.gz NNYNWRKWYUBTHR-CVEARBPZSA-N 1 1 274.408 2.759 10 10 CFCEMO C[C@@](CO)([NH2+]Cc1cccc(F)c1O)c1ccccc1 ZINC000129382066 645174716 /nfs/dbraw/zinc/17/47/16/645174716.db2.gz JGLSHMGIXMPWOG-INIZCTEOSA-N 1 1 275.323 2.529 10 10 CFCEMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000091979280 375074971 /nfs/dbraw/zinc/07/49/71/375074971.db2.gz XSENZSXVVIVIMV-RDJZCZTQSA-N 1 1 291.391 2.934 10 10 CFCEMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000092708586 375142440 /nfs/dbraw/zinc/14/24/40/375142440.db2.gz FPMWMKJBUQHRMX-OAHLLOKOSA-N 1 1 290.407 2.581 10 10 CFCEMO CCOc1ccc(O)c(CN(C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000123439080 376954443 /nfs/dbraw/zinc/95/44/43/376954443.db2.gz YZGRQQYYAJAHHU-OAHLLOKOSA-N 1 1 292.423 2.707 10 10 CFCEMO CCOc1ccc(O)c(C[N@H+](C)C[C@H]2CCCN2CC)c1 ZINC000123439080 376954451 /nfs/dbraw/zinc/95/44/51/376954451.db2.gz YZGRQQYYAJAHHU-OAHLLOKOSA-N 1 1 292.423 2.707 10 10 CFCEMO CCOc1ccc(O)c(C[N@@H+](C)C[C@H]2CCCN2CC)c1 ZINC000123439080 376954463 /nfs/dbraw/zinc/95/44/63/376954463.db2.gz YZGRQQYYAJAHHU-OAHLLOKOSA-N 1 1 292.423 2.707 10 10 CFCEMO Cc1csc([C@H]2C[N@H+](Cc3ccccc3O)CCO2)n1 ZINC000179567529 380559041 /nfs/dbraw/zinc/55/90/41/380559041.db2.gz UGESAPYRTVTXQS-CQSZACIVSA-N 1 1 290.388 2.731 10 10 CFCEMO Cc1csc([C@H]2C[N@@H+](Cc3ccccc3O)CCO2)n1 ZINC000179567529 380559046 /nfs/dbraw/zinc/55/90/46/380559046.db2.gz UGESAPYRTVTXQS-CQSZACIVSA-N 1 1 290.388 2.731 10 10 CFCEMO Cc1cccc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)c1O ZINC000180052548 380615710 /nfs/dbraw/zinc/61/57/10/380615710.db2.gz HHBJEFBWRLHLHV-HNNXBMFYSA-N 1 1 271.364 2.771 10 10 CFCEMO COc1ccc(O)c(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000180373817 380649605 /nfs/dbraw/zinc/64/96/05/380649605.db2.gz OYXAZPFMKXYLSE-RHSMWYFYSA-N 1 1 291.391 2.528 10 10 CFCEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(F)ccc1O ZINC000184055373 381364390 /nfs/dbraw/zinc/36/43/90/381364390.db2.gz YMUXIZLXVNDCFA-LSDHHAIUSA-N 1 1 278.371 2.590 10 10 CFCEMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188410441 382409794 /nfs/dbraw/zinc/40/97/94/382409794.db2.gz FVRKOAQIQPJIBJ-CQSZACIVSA-N 1 1 291.782 2.907 10 10 CFCEMO CC[C@H](C)[C@H](C[NH2+]Cc1cccc(F)c1O)OC ZINC000294216208 382463497 /nfs/dbraw/zinc/46/34/97/382463497.db2.gz MYLDECXNGUTXRC-GWCFXTLKSA-N 1 1 255.333 2.682 10 10 CFCEMO COC(=O)[C@@]1(C)CCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000189990532 382648871 /nfs/dbraw/zinc/64/88/71/382648871.db2.gz PJZXYHXVYDXNHH-MRXNPFEDSA-N 1 1 277.364 2.537 10 10 CFCEMO CC(C)C[C@@H](C[NH2+]Cc1cccc(F)c1O)N(C)C ZINC000158681604 519213059 /nfs/dbraw/zinc/21/30/59/519213059.db2.gz ITLRPFVSONLKJG-ZDUSSCGKSA-N 1 1 268.376 2.597 10 10 CFCEMO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062748213 519793968 /nfs/dbraw/zinc/79/39/68/519793968.db2.gz PXGLGWSOYYUGEA-BXUZGUMPSA-N 1 1 268.376 2.768 10 10 CFCEMO CCOCC(C)(C)C[NH2+]Cc1cccc(F)c1O ZINC000290076033 521668861 /nfs/dbraw/zinc/66/88/61/521668861.db2.gz GCIYALNHBBKXLD-UHFFFAOYSA-N 1 1 255.333 2.684 10 10 CFCEMO CN(C)[C@@H](C[NH2+]Cc1cccc(F)c1O)c1cccs1 ZINC000164939522 522029692 /nfs/dbraw/zinc/02/96/92/522029692.db2.gz OLBVVZVKQKBOBB-ZDUSSCGKSA-N 1 1 294.395 2.985 10 10 CFCEMO COc1ccc(C)cc1COc1ccc(C)[nH+]c1N ZINC000050702037 523813704 /nfs/dbraw/zinc/81/37/04/523813704.db2.gz IKTDJDAENATRSW-UHFFFAOYSA-N 1 1 258.321 2.868 10 10 CFCEMO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 ZINC000164683232 525682103 /nfs/dbraw/zinc/68/21/03/525682103.db2.gz WTBHCKAOTHRHJY-DOMZBBRYSA-N 1 1 285.395 2.530 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000164934225 526331494 /nfs/dbraw/zinc/33/14/94/526331494.db2.gz GIUHUYLABDNDIR-UHFFFAOYSA-N 1 1 289.306 2.592 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000227522068 526331692 /nfs/dbraw/zinc/33/16/92/526331692.db2.gz ZCWFGNJHAXDRBE-LBPRGKRZSA-N 1 1 253.317 2.580 10 10 CFCEMO COc1ccccc1C[NH2+]Cc1cccc(F)c1O ZINC000083445927 618023685 /nfs/dbraw/zinc/02/36/85/618023685.db2.gz VQPBCQYLUDGSJV-UHFFFAOYSA-N 1 1 261.296 2.830 10 10 CFCEMO Nc1ccc(O[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000061702156 623228699 /nfs/dbraw/zinc/22/86/99/623228699.db2.gz SQKWZEXWXQDABB-KRWDZBQOSA-N 1 1 268.360 2.922 10 10 CFCEMO COc1cc(C)cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1O ZINC000247189231 650899563 /nfs/dbraw/zinc/89/95/63/650899563.db2.gz YHLSFVHEWDIYEE-HUUCEWRRSA-N 1 1 291.391 2.853 10 10 CFCEMO N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1c1ccccc1O ZINC000096946962 185136989 /nfs/dbraw/zinc/13/69/89/185136989.db2.gz ANQQFDMYNZTMTO-WBVHZDCISA-N 1 1 268.360 2.667 10 10 CFCEMO [NH3+][C@@H]1CCN(Cc2ccccc2)[C@H]1c1ccccc1O ZINC000096946962 185136990 /nfs/dbraw/zinc/13/69/90/185136990.db2.gz ANQQFDMYNZTMTO-WBVHZDCISA-N 1 1 268.360 2.667 10 10 CFCEMO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)c1O ZINC000124602191 377068729 /nfs/dbraw/zinc/06/87/29/377068729.db2.gz ZUGRRENNDLBBJT-DGCLKSJQSA-N 1 1 280.799 2.714 10 10 CFCEMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)c1O ZINC000124602191 377068733 /nfs/dbraw/zinc/06/87/33/377068733.db2.gz ZUGRRENNDLBBJT-DGCLKSJQSA-N 1 1 280.799 2.714 10 10 CFCEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1O ZINC000179202230 380520178 /nfs/dbraw/zinc/52/01/78/380520178.db2.gz NIIPJYOZHMBWKD-QEJZJMRPSA-N 1 1 289.375 2.698 10 10 CFCEMO CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179572683 380558813 /nfs/dbraw/zinc/55/88/13/380558813.db2.gz AVHKPOWXKHNVFQ-OAHLLOKOSA-N 1 1 285.391 2.988 10 10 CFCEMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000179932146 380600368 /nfs/dbraw/zinc/60/03/68/380600368.db2.gz SXGMMRNABXHABJ-OAHLLOKOSA-N 1 1 290.407 2.581 10 10 CFCEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC000180614518 380683410 /nfs/dbraw/zinc/68/34/10/380683410.db2.gz RQWOYMFMWYRLBT-MRXNPFEDSA-N 1 1 285.391 2.870 10 10 CFCEMO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2O)[C@@H](C)C1 ZINC000186101613 381823355 /nfs/dbraw/zinc/82/33/55/381823355.db2.gz NTSWWXFBXUQMJD-HUBLWGQQSA-N 1 1 280.387 2.911 10 10 CFCEMO C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cc(F)ccc1O ZINC000300416026 382063914 /nfs/dbraw/zinc/06/39/14/382063914.db2.gz DNKVFNYAYUKYEH-DOMZBBRYSA-N 1 1 278.371 2.590 10 10 CFCEMO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1cc(F)ccc1O ZINC000300416026 382063917 /nfs/dbraw/zinc/06/39/17/382063917.db2.gz DNKVFNYAYUKYEH-DOMZBBRYSA-N 1 1 278.371 2.590 10 10 CFCEMO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1Cc1cc(F)ccc1O ZINC000300416026 382063922 /nfs/dbraw/zinc/06/39/22/382063922.db2.gz DNKVFNYAYUKYEH-DOMZBBRYSA-N 1 1 278.371 2.590 10 10 CFCEMO CC[C@@H](C)C[N@@H+](C)[C@@H](CN)c1ccc(N(C)C)cc1 ZINC000037172662 173006907 /nfs/dbraw/zinc/00/69/07/173006907.db2.gz FYUKRKRYNVYITL-CJNGLKHVSA-N 1 1 263.429 2.730 10 10 CFCEMO CC[C@@H](C)CN(C)[C@@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000037172662 173006908 /nfs/dbraw/zinc/00/69/08/173006908.db2.gz FYUKRKRYNVYITL-CJNGLKHVSA-N 1 1 263.429 2.730 10 10 CFCEMO Cc1csc(C[NH2+][C@H](C)c2cc(O)ccc2O)n1 ZINC000038090662 174103690 /nfs/dbraw/zinc/10/36/90/174103690.db2.gz FXRCJLAKGQUQRL-SECBINFHSA-N 1 1 264.350 2.714 10 10 CFCEMO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000062748211 519793890 /nfs/dbraw/zinc/79/38/90/519793890.db2.gz PXGLGWSOYYUGEA-SMDDNHRTSA-N 1 1 268.376 2.768 10 10 CFCEMO CCCN1CCN(c2ccc([C@@H](C)[NH3+])cc2Cl)CC1 ZINC000061694450 519859887 /nfs/dbraw/zinc/85/98/87/519859887.db2.gz XKXLQYYRBYIQMS-GFCCVEGCSA-N 1 1 281.831 2.892 10 10 CFCEMO CN(C)C1(C[NH2+]Cc2cccc(F)c2O)CCCCC1 ZINC000164932939 524036762 /nfs/dbraw/zinc/03/67/62/524036762.db2.gz XLKFYQFVIRBKBS-UHFFFAOYSA-N 1 1 280.387 2.885 10 10 CFCEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cc(C)cc(C)c1O ZINC000164445057 618688640 /nfs/dbraw/zinc/68/86/40/618688640.db2.gz PRGOGUYDDVBUFL-INIZCTEOSA-N 1 1 276.424 2.925 10 10 CFCEMO CCN1CCC[C@H]1C[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000164445057 618688641 /nfs/dbraw/zinc/68/86/41/618688641.db2.gz PRGOGUYDDVBUFL-INIZCTEOSA-N 1 1 276.424 2.925 10 10 CFCEMO CCN1CCC[C@H]1C[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000164445057 618688643 /nfs/dbraw/zinc/68/86/43/618688643.db2.gz PRGOGUYDDVBUFL-INIZCTEOSA-N 1 1 276.424 2.925 10 10 CFCEMO CC(C)(C)[C@H](Cn1ccnc1)[NH2+]Cc1cccc(F)c1O ZINC000165017549 622978629 /nfs/dbraw/zinc/97/86/29/622978629.db2.gz IHWCWCSXEGSWNF-AWEZNQCLSA-N 1 1 291.370 2.932 10 10 CFCEMO O=C(CC[N@@H+]1CCc2cc(O)c(O)cc2C1)c1ccccc1 ZINC000584621027 348692838 /nfs/dbraw/zinc/69/28/38/348692838.db2.gz GWXVPHQJAWYGQC-UHFFFAOYSA-N 1 1 297.354 2.729 10 10 CFCEMO O=C(CC[N@H+]1CCc2cc(O)c(O)cc2C1)c1ccccc1 ZINC000584621027 348692844 /nfs/dbraw/zinc/69/28/44/348692844.db2.gz GWXVPHQJAWYGQC-UHFFFAOYSA-N 1 1 297.354 2.729 10 10 CFCEMO CCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000092708587 375142252 /nfs/dbraw/zinc/14/22/52/375142252.db2.gz FPMWMKJBUQHRMX-HNNXBMFYSA-N 1 1 290.407 2.581 10 10 CFCEMO COc1cccc(C[NH+]2CCC(c3ccn[nH]3)CC2)c1O ZINC000092810909 375159139 /nfs/dbraw/zinc/15/91/39/375159139.db2.gz MHPGLMWCIUONOJ-UHFFFAOYSA-N 1 1 287.363 2.504 10 10 CFCEMO Oc1ccccc1C[N@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000179575676 380561220 /nfs/dbraw/zinc/56/12/20/380561220.db2.gz YHVZJYKAWYSTLS-CQSZACIVSA-N 1 1 257.337 2.843 10 10 CFCEMO Cn1cc([C@@H]2CCC[N@H+]2Cc2cc(F)ccc2O)cn1 ZINC000180074356 380618572 /nfs/dbraw/zinc/61/85/72/380618572.db2.gz GUFNXHZIRFNNMO-AWEZNQCLSA-N 1 1 275.327 2.602 10 10 CFCEMO C[N@@H+]1Cc2ccccc2N[C@@H](c2ccc(O)c(O)c2)C1 ZINC000199561033 382772055 /nfs/dbraw/zinc/77/20/55/382772055.db2.gz MCVVDPDRJKBMRV-CQSZACIVSA-N 1 1 270.332 2.696 10 10 CFCEMO CC[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 ZINC000164722844 394369548 /nfs/dbraw/zinc/36/95/48/394369548.db2.gz DDTCMMUTVGQBOY-HOTGVXAUSA-N 1 1 299.422 2.920 10 10 CFCEMO CC(C)[C@H](CN(C)C)[NH2+][C@H](C)c1ccc(F)cc1O ZINC000062748214 519814714 /nfs/dbraw/zinc/81/47/14/519814714.db2.gz PXGLGWSOYYUGEA-RISCZKNCSA-N 1 1 268.376 2.768 10 10 CFCEMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)COC(C)(C)C ZINC000076074447 521690203 /nfs/dbraw/zinc/69/02/03/521690203.db2.gz ZADNXARCZSYAMR-OAHLLOKOSA-N 1 1 295.423 2.780 10 10 CFCEMO CN(C)CC[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000211512379 521748170 /nfs/dbraw/zinc/74/81/70/521748170.db2.gz QKXDLOWAKTYXOO-UHFFFAOYSA-N 1 1 258.365 2.539 10 10 CFCEMO CN(CC[NH+](C)C)Cc1c(O)ccc2ccccc21 ZINC000211512379 521748173 /nfs/dbraw/zinc/74/81/73/521748173.db2.gz QKXDLOWAKTYXOO-UHFFFAOYSA-N 1 1 258.365 2.539 10 10 CFCEMO CN(C)[C@@H](C[NH2+]Cc1cccc(F)c1O)c1ccco1 ZINC000164934366 522030750 /nfs/dbraw/zinc/03/07/50/522030750.db2.gz CRUZCKJHVVZQIN-ZDUSSCGKSA-N 1 1 278.327 2.517 10 10 CFCEMO CO[C@@]1(C)CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000230299880 523807098 /nfs/dbraw/zinc/80/70/98/523807098.db2.gz GGWOCQOQAIUDTJ-AWEZNQCLSA-N 1 1 253.317 2.532 10 10 CFCEMO CO[C@@]1(C)CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000230299880 523807104 /nfs/dbraw/zinc/80/71/04/523807104.db2.gz GGWOCQOQAIUDTJ-AWEZNQCLSA-N 1 1 253.317 2.532 10 10 CFCEMO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccc(F)cc1O ZINC000273367785 525493501 /nfs/dbraw/zinc/49/35/01/525493501.db2.gz BWKSXAOJEJPYAO-RNCFNFMXSA-N 1 1 255.333 2.589 10 10 CFCEMO COc1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1O ZINC000245687398 525952368 /nfs/dbraw/zinc/95/23/68/525952368.db2.gz AWOVAXRUPXRDRI-YOEHRIQHSA-N 1 1 291.391 2.528 10 10 CFCEMO Oc1ccc2ccccc2c1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000096810812 526356645 /nfs/dbraw/zinc/35/66/45/526356645.db2.gz CLFIZTAOSMFFKF-OAHLLOKOSA-N 1 1 282.387 2.825 10 10 CFCEMO Oc1ccc2ccccc2c1C[N@@H+]1CCN2CCC[C@@H]2C1 ZINC000096810812 526356648 /nfs/dbraw/zinc/35/66/48/526356648.db2.gz CLFIZTAOSMFFKF-OAHLLOKOSA-N 1 1 282.387 2.825 10 10 CFCEMO Oc1ccc2ccccc2c1C[N@H+]1CCN2CCC[C@@H]2C1 ZINC000096810812 526356655 /nfs/dbraw/zinc/35/66/55/526356655.db2.gz CLFIZTAOSMFFKF-OAHLLOKOSA-N 1 1 282.387 2.825 10 10 CFCEMO Cc1cc(Br)c(O)c([C@H]([NH3+])C2CC2)c1 ZINC000757146380 617820067 /nfs/dbraw/zinc/82/00/67/617820067.db2.gz STWXEGHLILGEQD-SNVBAGLBSA-N 1 1 256.143 2.873 10 10 CFCEMO CCc1nc(NCCc2ccc(N)cc2)cc(C)[nH+]1 ZINC000261629201 618118641 /nfs/dbraw/zinc/11/86/41/618118641.db2.gz VPTMQHSVNMOCIM-UHFFFAOYSA-N 1 1 256.353 2.584 10 10 CFCEMO C[C@@H](CC(F)(F)F)[NH2+]Cc1cccc(F)c1O ZINC000231901521 623375892 /nfs/dbraw/zinc/37/58/92/623375892.db2.gz SEODSVSSTMAESD-ZETCQYMHSA-N 1 1 251.223 2.962 10 10 CFCEMO CCOc1cccc(C[NH2+][C@H](C)c2ncc(C)o2)c1O ZINC000227555713 625945443 /nfs/dbraw/zinc/94/54/43/625945443.db2.gz BIAUICDUIDBJST-LLVKDONJSA-N 1 1 276.336 2.938 10 10 CFCEMO COc1cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c(O)cc1C ZINC000159879201 650282777 /nfs/dbraw/zinc/28/27/77/650282777.db2.gz GFZGDYMETHBPBX-HOCLYGCPSA-N 1 1 291.391 2.853 10 10 CFCEMO COc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c(O)cc1C ZINC000159879346 650282949 /nfs/dbraw/zinc/28/29/49/650282949.db2.gz GFZGDYMETHBPBX-GOEBONIOSA-N 1 1 291.391 2.853 10 10 CFCEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090225475 375006001 /nfs/dbraw/zinc/00/60/01/375006001.db2.gz JZMXANLFLNSRSG-BLLLJJGKSA-N 1 1 299.422 2.838 10 10 CFCEMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3ccccc3O)C2)no1 ZINC000179570398 380558652 /nfs/dbraw/zinc/55/86/52/380558652.db2.gz GJZNRHOKMVGHNM-ZDUSSCGKSA-N 1 1 287.363 2.538 10 10 CFCEMO Cc1cccc(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1O ZINC000180007650 380609394 /nfs/dbraw/zinc/60/93/94/380609394.db2.gz LHANSDRMNWSMBQ-CYBMUJFWSA-N 1 1 290.388 2.731 10 10 CFCEMO Cc1cccc(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1O ZINC000180007650 380609402 /nfs/dbraw/zinc/60/94/02/380609402.db2.gz LHANSDRMNWSMBQ-CYBMUJFWSA-N 1 1 290.388 2.731 10 10 CFCEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(F)ccc1O ZINC000248403515 383236319 /nfs/dbraw/zinc/23/63/19/383236319.db2.gz YMUXIZLXVNDCFA-GJZGRUSLSA-N 1 1 278.371 2.590 10 10 CFCEMO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(F)c2O)C[C@H](C)O1 ZINC000281244277 385186226 /nfs/dbraw/zinc/18/62/26/385186226.db2.gz MCKVHMULDOYPMY-ZSBIGDGJSA-N 1 1 267.344 2.825 10 10 CFCEMO COC[C@@H]1CCCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000368658429 267195129 /nfs/dbraw/zinc/19/51/29/267195129.db2.gz IVLUBSZTRSGTHI-GFCCVEGCSA-N 1 1 267.344 2.780 10 10 CFCEMO COC[C@@H]1CCCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000368658429 267195130 /nfs/dbraw/zinc/19/51/30/267195130.db2.gz IVLUBSZTRSGTHI-GFCCVEGCSA-N 1 1 267.344 2.780 10 10 CFCEMO CCOc1cccc(CN(C)C[C@H]2CCC[N@H+]2CC)c1O ZINC000156084806 521330181 /nfs/dbraw/zinc/33/01/81/521330181.db2.gz AUSRDZDDHJNAQT-OAHLLOKOSA-N 1 1 292.423 2.707 10 10 CFCEMO CCOc1cccc(C[N@H+](C)C[C@H]2CCCN2CC)c1O ZINC000156084806 521330191 /nfs/dbraw/zinc/33/01/91/521330191.db2.gz AUSRDZDDHJNAQT-OAHLLOKOSA-N 1 1 292.423 2.707 10 10 CFCEMO CCOc1cccc(C[N@@H+](C)C[C@H]2CCCN2CC)c1O ZINC000156084806 521330198 /nfs/dbraw/zinc/33/01/98/521330198.db2.gz AUSRDZDDHJNAQT-OAHLLOKOSA-N 1 1 292.423 2.707 10 10 CFCEMO CN(C)c1ccc(C[NH2+]Cc2cccc(F)c2O)cc1 ZINC000164938893 522208817 /nfs/dbraw/zinc/20/88/17/522208817.db2.gz KFOAVAULWUVTHO-UHFFFAOYSA-N 1 1 274.339 2.887 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]C[C@H]1CCCCS1 ZINC000158813983 618198529 /nfs/dbraw/zinc/19/85/29/618198529.db2.gz CGOOIMUWCMZMFT-LLVKDONJSA-N 1 1 255.358 2.907 10 10 CFCEMO CN(C)[C@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000170843132 624957173 /nfs/dbraw/zinc/95/71/73/624957173.db2.gz YAWRHMCWUPECBS-AWEZNQCLSA-N 1 1 292.423 2.531 10 10 CFCEMO CN(C)[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000170843132 624957174 /nfs/dbraw/zinc/95/71/74/624957174.db2.gz YAWRHMCWUPECBS-AWEZNQCLSA-N 1 1 292.423 2.531 10 10 CFCEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cc(C)ccc1O ZINC000248398594 650932797 /nfs/dbraw/zinc/93/27/97/650932797.db2.gz NNYNWRKWYUBTHR-HOTGVXAUSA-N 1 1 274.408 2.759 10 10 CFCEMO CC[C@H]1CN2CCC[C@H]2C[N@@H+]1Cc1cc(C)ccc1O ZINC000248398594 650932798 /nfs/dbraw/zinc/93/27/98/650932798.db2.gz NNYNWRKWYUBTHR-HOTGVXAUSA-N 1 1 274.408 2.759 10 10 CFCEMO CC[C@H]1CN2CCC[C@H]2C[N@H+]1Cc1cc(C)ccc1O ZINC000248398594 650932802 /nfs/dbraw/zinc/93/28/02/650932802.db2.gz NNYNWRKWYUBTHR-HOTGVXAUSA-N 1 1 274.408 2.759 10 10 CFCEMO Cn1cc([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000128434614 377336182 /nfs/dbraw/zinc/33/61/82/377336182.db2.gz MVWKDQJOQLNLTQ-LLVKDONJSA-N 1 1 291.782 2.769 10 10 CFCEMO Cn1cc([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000128434835 377336559 /nfs/dbraw/zinc/33/65/59/377336559.db2.gz MVWKDQJOQLNLTQ-NSHDSACASA-N 1 1 291.782 2.769 10 10 CFCEMO CCOc1ccc(O)c(C[N@H+]2CCS[C@@H](C)C2)c1 ZINC000131409025 377707142 /nfs/dbraw/zinc/70/71/42/377707142.db2.gz FVBLGXMRDGOUDS-NSHDSACASA-N 1 1 267.394 2.728 10 10 CFCEMO C[N@@H+](CCc1ccc(O)c(O)c1)Cc1ccccc1 ZINC000039645960 174171431 /nfs/dbraw/zinc/17/14/31/174171431.db2.gz NMQATHCJCXVJBT-UHFFFAOYSA-N 1 1 257.333 2.772 10 10 CFCEMO CCN(CC)c1ccc([C@@H](C[NH3+])N(CC)CC)cc1 ZINC000039789110 174173214 /nfs/dbraw/zinc/17/32/14/174173214.db2.gz YHCMYBALQPDTBK-MRXNPFEDSA-N 1 1 263.429 2.874 10 10 CFCEMO COCc1cccc(C[NH2+]Cc2cccc(F)c2O)c1 ZINC000165030546 523052869 /nfs/dbraw/zinc/05/28/69/523052869.db2.gz FVUFABKPTMDQJI-UHFFFAOYSA-N 1 1 275.323 2.968 10 10 CFCEMO Cc1cccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1O ZINC000228174452 524403041 /nfs/dbraw/zinc/40/30/41/524403041.db2.gz RGGZQQILVNXGJS-HUUCEWRRSA-N 1 1 261.365 2.844 10 10 CFCEMO COc1cc(C)cc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1O ZINC000164141860 622940009 /nfs/dbraw/zinc/94/00/09/622940009.db2.gz YHLSFVHEWDIYEE-LSDHHAIUSA-N 1 1 291.391 2.853 10 10 CFCEMO C[N@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCC[NH2+]CC1 ZINC000231461221 623348811 /nfs/dbraw/zinc/34/88/11/623348811.db2.gz HKCUFDWBOHHPTB-ZDUSSCGKSA-N 1 1 268.788 2.620 10 10 CFCEMO C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCC[NH2+]CC1 ZINC000231461221 623348819 /nfs/dbraw/zinc/34/88/19/623348819.db2.gz HKCUFDWBOHHPTB-ZDUSSCGKSA-N 1 1 268.788 2.620 10 10 CFCEMO COc1cccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1O ZINC000093438319 375235478 /nfs/dbraw/zinc/23/54/78/375235478.db2.gz WWPRPQXYTUATMO-AWEZNQCLSA-N 1 1 287.363 2.851 10 10 CFCEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cccc(C)c1O ZINC000180614539 380683503 /nfs/dbraw/zinc/68/35/03/380683503.db2.gz RQWOYMFMWYRLBT-INIZCTEOSA-N 1 1 285.391 2.870 10 10 CFCEMO COc1cc(Cl)cc(C[N@H+]2CCS[C@@H](C)C2)c1O ZINC000184688444 381460458 /nfs/dbraw/zinc/46/04/58/381460458.db2.gz NDXXYHRBEICFPB-VIFPVBQESA-N 1 1 287.812 2.992 10 10 CFCEMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H]1N(C)C ZINC000251671071 383392887 /nfs/dbraw/zinc/39/28/87/383392887.db2.gz HJPJXSRDNBLFNK-SUMWQHHRSA-N 1 1 284.403 2.927 10 10 CFCEMO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[N@@H+]1CCCNCC1 ZINC000038086998 174098367 /nfs/dbraw/zinc/09/83/67/174098367.db2.gz CSYQGLJIPIQYKU-STQMWFEESA-N 1 1 260.381 2.544 10 10 CFCEMO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[N@H+]1CCCNCC1 ZINC000038086998 174098368 /nfs/dbraw/zinc/09/83/68/174098368.db2.gz CSYQGLJIPIQYKU-STQMWFEESA-N 1 1 260.381 2.544 10 10 CFCEMO Cc1csc(C[NH2+][C@@H](C)c2cc(O)ccc2O)n1 ZINC000038090661 174104097 /nfs/dbraw/zinc/10/40/97/174104097.db2.gz FXRCJLAKGQUQRL-VIFPVBQESA-N 1 1 264.350 2.714 10 10 CFCEMO COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1O ZINC000246207847 277369208 /nfs/dbraw/zinc/36/92/08/277369208.db2.gz NIIPJYOZHMBWKD-CFVMTHIKSA-N 1 1 289.375 2.698 10 10 CFCEMO C[NH2+][C@H](C)c1ccc(N2CCCN(C)CC2)c(Cl)c1 ZINC000061694553 522449495 /nfs/dbraw/zinc/44/94/95/522449495.db2.gz YSMFUHZQBTZEMN-GFCCVEGCSA-N 1 1 281.831 2.762 10 10 CFCEMO C[C@@H](C[NH2+]Cc1cccc(F)c1O)c1nccs1 ZINC000230694709 524744478 /nfs/dbraw/zinc/74/44/78/524744478.db2.gz UDIGMWJEKDJWOF-VIFPVBQESA-N 1 1 266.341 2.881 10 10 CFCEMO COc1ccc(O)c(C[N@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000245861586 524746973 /nfs/dbraw/zinc/74/69/73/524746973.db2.gz OYXAZPFMKXYLSE-YOEHRIQHSA-N 1 1 291.391 2.528 10 10 CFCEMO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccc(F)cc1O ZINC000246219315 525525308 /nfs/dbraw/zinc/52/53/08/525525308.db2.gz PYQYBLXEBAPVEZ-PKFCDNJMSA-N 1 1 253.317 2.749 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]Cc1cccc2c1OCO2 ZINC000165033042 622979584 /nfs/dbraw/zinc/97/95/84/622979584.db2.gz NLRYEONSNMNTNO-UHFFFAOYSA-N 1 1 275.279 2.550 10 10 CFCEMO CCN(CC)c1ccc(CN2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000245769468 650834445 /nfs/dbraw/zinc/83/44/45/650834445.db2.gz RLKQAYBRPQFIHV-SFHVURJKSA-N 1 1 287.451 2.813 10 10 CFCEMO C[N@@H+]1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000001561184 371681482 /nfs/dbraw/zinc/68/14/82/371681482.db2.gz QNBCPLWFVGLFHO-CYBMUJFWSA-N 1 1 283.327 2.556 10 10 CFCEMO C[N@H+]1CCc2cc(O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000001561184 371681487 /nfs/dbraw/zinc/68/14/87/371681487.db2.gz QNBCPLWFVGLFHO-CYBMUJFWSA-N 1 1 283.327 2.556 10 10 CFCEMO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000131939698 377781180 /nfs/dbraw/zinc/78/11/80/377781180.db2.gz OUBALTNSWQDZQI-OAHLLOKOSA-N 1 1 271.364 2.771 10 10 CFCEMO Cc1cccc(C[N@@H+]2C[C@@H]3CCCCN3C[C@@H]2C)c1O ZINC000158034112 378663209 /nfs/dbraw/zinc/66/32/09/378663209.db2.gz NCFFDXXULYWNOM-HOCLYGCPSA-N 1 1 274.408 2.759 10 10 CFCEMO CC(C)c1nc2c(n1C)CC[N@H+](Cc1ccccc1O)C2 ZINC000179572948 393468015 /nfs/dbraw/zinc/46/80/15/393468015.db2.gz FIKBCGVZSFSOGA-UHFFFAOYSA-N 1 1 285.391 2.807 10 10 CFCEMO CC(C)c1nc2c(n1C)CC[N@@H+](Cc1ccccc1O)C2 ZINC000179572948 393468026 /nfs/dbraw/zinc/46/80/26/393468026.db2.gz FIKBCGVZSFSOGA-UHFFFAOYSA-N 1 1 285.391 2.807 10 10 CFCEMO C[C@H](CNCc1ccc(N(C)C)cc1)[NH+]1CCC(C)CC1 ZINC000040165712 174197809 /nfs/dbraw/zinc/19/78/09/174197809.db2.gz CMDGUWAJHIKDJY-MRXNPFEDSA-N 1 1 289.467 2.963 10 10 CFCEMO CC[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 ZINC000164722758 276533866 /nfs/dbraw/zinc/53/38/66/276533866.db2.gz DDTCMMUTVGQBOY-HZPDHXFCSA-N 1 1 299.422 2.920 10 10 CFCEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cc(C)ccc1O ZINC000156082257 521651906 /nfs/dbraw/zinc/65/19/06/521651906.db2.gz DEEMVVPPPDLWKP-HNNXBMFYSA-N 1 1 262.397 2.617 10 10 CFCEMO CCN1CCC[C@H]1C[N@H+](C)Cc1cc(C)ccc1O ZINC000156082257 521651909 /nfs/dbraw/zinc/65/19/09/521651909.db2.gz DEEMVVPPPDLWKP-HNNXBMFYSA-N 1 1 262.397 2.617 10 10 CFCEMO CCN1CCC[C@H]1C[N@@H+](C)Cc1cc(C)ccc1O ZINC000156082257 521651912 /nfs/dbraw/zinc/65/19/12/521651912.db2.gz DEEMVVPPPDLWKP-HNNXBMFYSA-N 1 1 262.397 2.617 10 10 CFCEMO CCc1cc(NCCc2ccc(N)cc2)nc(C)[nH+]1 ZINC000088760604 523822265 /nfs/dbraw/zinc/82/22/65/523822265.db2.gz IWBNJZLVWZZAAY-UHFFFAOYSA-N 1 1 256.353 2.584 10 10 CFCEMO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccc(F)cc1O ZINC000273367782 525473618 /nfs/dbraw/zinc/47/36/18/525473618.db2.gz BWKSXAOJEJPYAO-NOZJJQNGSA-N 1 1 255.333 2.589 10 10 CFCEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1c(O)cccc1Cl ZINC000156083650 650042309 /nfs/dbraw/zinc/04/23/09/650042309.db2.gz ZZYRSWGGJRUQEY-GFCCVEGCSA-N 1 1 282.815 2.962 10 10 CFCEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc(Cl)ccc1O ZINC000156081885 650042877 /nfs/dbraw/zinc/04/28/77/650042877.db2.gz BXCBLURGCDAADR-CQSZACIVSA-N 1 1 282.815 2.962 10 10 CFCEMO COc1cc(C)cc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)c1O ZINC000247189219 650899519 /nfs/dbraw/zinc/89/95/19/650899519.db2.gz YHLSFVHEWDIYEE-CABCVRRESA-N 1 1 291.391 2.853 10 10 CFCEMO CN(C)c1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000091978579 375073387 /nfs/dbraw/zinc/07/33/87/375073387.db2.gz DVRGRFFHYSBGTG-DLBZAZTESA-N 1 1 274.408 2.896 10 10 CFCEMO Cc1cccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)c1O ZINC000124552877 377063204 /nfs/dbraw/zinc/06/32/04/377063204.db2.gz RGGZQQILVNXGJS-LSDHHAIUSA-N 1 1 261.365 2.844 10 10 CFCEMO Cc1cccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1O ZINC000124552643 377063502 /nfs/dbraw/zinc/06/35/02/377063502.db2.gz RGGZQQILVNXGJS-GJZGRUSLSA-N 1 1 261.365 2.844 10 10 CFCEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(C)c1O ZINC000182076228 380985927 /nfs/dbraw/zinc/98/59/27/380985927.db2.gz BYZDKRLFMLHAAQ-JKSUJKDBSA-N 1 1 274.408 2.759 10 10 CFCEMO CC[C@H]1CN2CCC[C@@H]2C[N@@H+]1Cc1cccc(C)c1O ZINC000182076228 380985931 /nfs/dbraw/zinc/98/59/31/380985931.db2.gz BYZDKRLFMLHAAQ-JKSUJKDBSA-N 1 1 274.408 2.759 10 10 CFCEMO CC[C@H]1CN2CCC[C@@H]2C[N@H+]1Cc1cccc(C)c1O ZINC000182076228 380985933 /nfs/dbraw/zinc/98/59/33/380985933.db2.gz BYZDKRLFMLHAAQ-JKSUJKDBSA-N 1 1 274.408 2.759 10 10 CFCEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186097374 381823229 /nfs/dbraw/zinc/82/32/29/381823229.db2.gz XXJMAJVYLOFAOH-RNCFNFMXSA-N 1 1 290.342 2.617 10 10 CFCEMO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCn3ncnc32)cc1 ZINC000247208479 383153180 /nfs/dbraw/zinc/15/31/80/383153180.db2.gz VOIZOVZGFGALLM-BBRMVZONSA-N 1 1 299.422 2.920 10 10 CFCEMO CCN1C(=O)/C(=C/C=C2/CCC[N@H+]2CC)SC1=S ZINC000100326590 276152312 /nfs/dbraw/zinc/15/23/12/276152312.db2.gz KKACEFKPAJPBRW-DEFDFUCDSA-N 1 1 282.434 2.750 10 10 CFCEMO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cccc(F)c1O ZINC000226606691 518830649 /nfs/dbraw/zinc/83/06/49/518830649.db2.gz HPQANXQCPIMXIT-UHFFFAOYSA-N 1 1 298.358 2.536 10 10 CFCEMO CC(C)C[C@H](C[NH2+]Cc1cccc(F)c1O)N(C)C ZINC000158681749 519350735 /nfs/dbraw/zinc/35/07/35/519350735.db2.gz ITLRPFVSONLKJG-CYBMUJFWSA-N 1 1 268.376 2.597 10 10 CFCEMO CC(C)OCCCC[NH2+]Cc1cccc(F)c1O ZINC000228837564 519760857 /nfs/dbraw/zinc/76/08/57/519760857.db2.gz IUBFLTDKHGUZNV-UHFFFAOYSA-N 1 1 255.333 2.826 10 10 CFCEMO CCOC[C@H]([NH2+]Cc1cccc(F)c1O)C(C)C ZINC000233779527 520150110 /nfs/dbraw/zinc/15/01/10/520150110.db2.gz BQLLDSIPXMMSJP-ZDUSSCGKSA-N 1 1 255.333 2.682 10 10 CFCEMO C[C@H]1C[N@H+](Cc2cccc(F)c2O)CC(C)(C)O1 ZINC000160215684 524623521 /nfs/dbraw/zinc/62/35/21/524623521.db2.gz ICVHXSTXSQMUAM-JTQLQIEISA-N 1 1 253.317 2.531 10 10 CFCEMO C[C@H]1C[N@@H+](Cc2cccc(F)c2O)CC(C)(C)O1 ZINC000160215684 524623531 /nfs/dbraw/zinc/62/35/31/524623531.db2.gz ICVHXSTXSQMUAM-JTQLQIEISA-N 1 1 253.317 2.531 10 10 CFCEMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)[C@@H]1CCCO1 ZINC000062745440 525608972 /nfs/dbraw/zinc/60/89/72/525608972.db2.gz PYQYBLXEBAPVEZ-RBZYPMLTSA-N 1 1 253.317 2.749 10 10 CFCEMO CC(C)[C@H]([NH3+])c1cc(Br)cc(F)c1O ZINC000095706634 618288178 /nfs/dbraw/zinc/28/81/78/618288178.db2.gz JWZFXBNBDNVFFF-VIFPVBQESA-N 1 1 262.122 2.950 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]CCOC1CCCC1 ZINC000158769925 650236289 /nfs/dbraw/zinc/23/62/89/650236289.db2.gz LSSAIKOVJYSHCB-UHFFFAOYSA-N 1 1 253.317 2.580 10 10 CFCEMO [NH3+][C@H](c1cc(Br)cc(F)c1O)C1CC1 ZINC000095706645 650975686 /nfs/dbraw/zinc/97/56/86/650975686.db2.gz LARDRDCTBCNLLI-VIFPVBQESA-N 1 1 260.106 2.704 10 10 CFCEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186097342 282101339 /nfs/dbraw/zinc/10/13/39/282101339.db2.gz XXJMAJVYLOFAOH-ZANVPECISA-N 1 1 290.342 2.617 10 10 CFCEMO COc1ccccc1C[N@@H+](C)CCOc1ccc(N)cc1 ZINC000038602052 346338805 /nfs/dbraw/zinc/33/88/05/346338805.db2.gz PBLUOBGALDQKIO-UHFFFAOYSA-N 1 1 286.375 2.788 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]C1Cc2ccccc2C1 ZINC000083421210 374744187 /nfs/dbraw/zinc/74/41/87/374744187.db2.gz AKXWKZKJIHICEZ-UHFFFAOYSA-N 1 1 257.308 2.788 10 10 CFCEMO CN(C)c1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1 ZINC000092810634 375159328 /nfs/dbraw/zinc/15/93/28/375159328.db2.gz DVHRCXDZDUKHDG-UHFFFAOYSA-N 1 1 284.407 2.855 10 10 CFCEMO Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccccc1O ZINC000179583363 380560009 /nfs/dbraw/zinc/56/00/09/380560009.db2.gz IFRHSAJQABQXSA-OAHLLOKOSA-N 1 1 271.364 2.562 10 10 CFCEMO Cc1cccc(C[NH+]2CCC(c3ccn[nH]3)CC2)c1O ZINC000179981680 380605059 /nfs/dbraw/zinc/60/50/59/380605059.db2.gz IEBKCVUMDHAWQC-UHFFFAOYSA-N 1 1 271.364 2.803 10 10 CFCEMO C[C@@H]1CCC[N@@H+](CCCC(=O)Nc2ccc(N)cc2)C1 ZINC000022154908 171361821 /nfs/dbraw/zinc/36/18/21/171361821.db2.gz QDBQNBWMAGDMKD-CYBMUJFWSA-N 1 1 275.396 2.719 10 10 CFCEMO C[C@@H]1CCCC[N@H+]1[C@@H](CN)c1ccc(N(C)C)cc1 ZINC000022162384 171364571 /nfs/dbraw/zinc/36/45/71/171364571.db2.gz JZDUDZVKVXVECM-CJNGLKHVSA-N 1 1 261.413 2.627 10 10 CFCEMO C[C@@H]1CCCCN1[C@@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000022162384 171364573 /nfs/dbraw/zinc/36/45/73/171364573.db2.gz JZDUDZVKVXVECM-CJNGLKHVSA-N 1 1 261.413 2.627 10 10 CFCEMO C[C@H](CN[C@@H](C)c1cc(O)ccc1O)C[NH+]1CCCCC1 ZINC000038041705 174043754 /nfs/dbraw/zinc/04/37/54/174043754.db2.gz YCEDPAQGVKCYBX-KGLIPLIRSA-N 1 1 292.423 2.870 10 10 CFCEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc(C)ccc1O ZINC000156082135 521631087 /nfs/dbraw/zinc/63/10/87/521631087.db2.gz DEEMVVPPPDLWKP-OAHLLOKOSA-N 1 1 262.397 2.617 10 10 CFCEMO CCN1CCC[C@@H]1C[N@H+](C)Cc1cc(C)ccc1O ZINC000156082135 521631092 /nfs/dbraw/zinc/63/10/92/521631092.db2.gz DEEMVVPPPDLWKP-OAHLLOKOSA-N 1 1 262.397 2.617 10 10 CFCEMO CCN1CCC[C@@H]1C[N@@H+](C)Cc1cc(C)ccc1O ZINC000156082135 521631094 /nfs/dbraw/zinc/63/10/94/521631094.db2.gz DEEMVVPPPDLWKP-OAHLLOKOSA-N 1 1 262.397 2.617 10 10 CFCEMO Oc1ccc(F)cc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245967974 526350203 /nfs/dbraw/zinc/35/02/03/526350203.db2.gz NPINTIQFINFXQE-UKRRQHHQSA-N 1 1 265.328 2.675 10 10 CFCEMO Cc1csc(C[NH2+]Cc2cccc(F)c2O)n1 ZINC000158730129 526358761 /nfs/dbraw/zinc/35/87/61/526358761.db2.gz LRQRSTZVYZJMQD-UHFFFAOYSA-N 1 1 252.314 2.586 10 10 CFCEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cc(C)c(C)cc1O ZINC000177159993 618358980 /nfs/dbraw/zinc/35/89/80/618358980.db2.gz NJMIPZMHFURFIU-INIZCTEOSA-N 1 1 276.424 2.925 10 10 CFCEMO CCN1CCC[C@H]1C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000177159993 618358984 /nfs/dbraw/zinc/35/89/84/618358984.db2.gz NJMIPZMHFURFIU-INIZCTEOSA-N 1 1 276.424 2.925 10 10 CFCEMO CCN1CCC[C@H]1C[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000177159993 618358990 /nfs/dbraw/zinc/35/89/90/618358990.db2.gz NJMIPZMHFURFIU-INIZCTEOSA-N 1 1 276.424 2.925 10 10 CFCEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cc(C)cc(OC)c1O ZINC000164445307 622956204 /nfs/dbraw/zinc/95/62/04/622956204.db2.gz AUAVEHUINBWRQT-HNNXBMFYSA-N 1 1 292.423 2.625 10 10 CFCEMO CCN1CCC[C@H]1C[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164445307 622956206 /nfs/dbraw/zinc/95/62/06/622956206.db2.gz AUAVEHUINBWRQT-HNNXBMFYSA-N 1 1 292.423 2.625 10 10 CFCEMO CCN1CCC[C@H]1C[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164445307 622956209 /nfs/dbraw/zinc/95/62/09/622956209.db2.gz AUAVEHUINBWRQT-HNNXBMFYSA-N 1 1 292.423 2.625 10 10 CFCEMO COc1ccc(O)c(C[NH2+][C@H](C)c2ncc(C)o2)c1 ZINC000227556008 623113081 /nfs/dbraw/zinc/11/30/81/623113081.db2.gz DVPRLSHWYROLHC-SNVBAGLBSA-N 1 1 262.309 2.548 10 10 CFCEMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(F)c1O ZINC000158806213 650237519 /nfs/dbraw/zinc/23/75/19/650237519.db2.gz VDGBDDIWAGCGCP-QMMMGPOBSA-N 1 1 264.300 2.987 10 10 CFCEMO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCCCN3C[C@H]2C)c1 ZINC000251158243 650985041 /nfs/dbraw/zinc/98/50/41/650985041.db2.gz LKYVFTYYQPYXSS-ZBFHGGJFSA-N 1 1 274.408 2.759 10 10 CFCEMO COc1cc(Br)c(O)c([C@@H]2CCC[NH2+]2)c1 ZINC000218766318 348167483 /nfs/dbraw/zinc/16/74/83/348167483.db2.gz YHBWKXZMKNMLOO-JTQLQIEISA-N 1 1 272.142 2.588 10 10 CFCEMO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000131532944 377724031 /nfs/dbraw/zinc/72/40/31/377724031.db2.gz FLRUIFYQAXOSNN-GFCCVEGCSA-N 1 1 279.380 2.863 10 10 CFCEMO Cc1ccc(O)c(C[N@H+](C)[C@H](C)C(=O)OC(C)(C)C)c1 ZINC000131532944 377724037 /nfs/dbraw/zinc/72/40/37/377724037.db2.gz FLRUIFYQAXOSNN-GFCCVEGCSA-N 1 1 279.380 2.863 10 10 CFCEMO C[C@@H](CN[C@@H](C)c1cc(O)ccc1O)C[NH+]1CCCCC1 ZINC000038041704 286876684 /nfs/dbraw/zinc/87/66/84/286876684.db2.gz YCEDPAQGVKCYBX-KBPBESRZSA-N 1 1 292.423 2.870 10 10 CFCEMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H](CN)c2ccc(N(C)C)cc2)C1 ZINC000022221309 171378378 /nfs/dbraw/zinc/37/83/78/171378378.db2.gz SQVKGXOMBXNWKR-VBQJREDUSA-N 1 1 275.440 2.730 10 10 CFCEMO C[C@@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccc(N(C)C)cc2)C1 ZINC000022221309 171378379 /nfs/dbraw/zinc/37/83/79/171378379.db2.gz SQVKGXOMBXNWKR-VBQJREDUSA-N 1 1 275.440 2.730 10 10 CFCEMO COc1ccc(O)c(C[N@H+]2CCc3c(N)cccc3C2)c1 ZINC000038032713 174029463 /nfs/dbraw/zinc/02/94/63/174029463.db2.gz GKVYIHYYAAJDTL-UHFFFAOYSA-N 1 1 284.359 2.541 10 10 CFCEMO CC(C)COCCC[NH2+]Cc1cccc(F)c1O ZINC000158679475 519754325 /nfs/dbraw/zinc/75/43/25/519754325.db2.gz DKVZYUPBWMKACK-UHFFFAOYSA-N 1 1 255.333 2.684 10 10 CFCEMO CC(C)[C@H](C[NH2+]Cc1cccc(F)c1O)N1CCCC1 ZINC000164940827 519815981 /nfs/dbraw/zinc/81/59/81/519815981.db2.gz UCQVMDGDOOHMPB-HNNXBMFYSA-N 1 1 280.387 2.741 10 10 CFCEMO Oc1ccc(F)cc1C[N@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245909872 526347991 /nfs/dbraw/zinc/34/79/91/526347991.db2.gz FSPCDAKWMVGWDJ-XJKSGUPXSA-N 1 1 279.355 2.658 10 10 CFCEMO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2Cn2ccnc2)c1 ZINC000188416197 618169765 /nfs/dbraw/zinc/16/97/65/618169765.db2.gz HWPXKUNHGKQBTC-HNNXBMFYSA-N 1 1 271.364 2.562 10 10 CFCEMO Cc1ccc(C[NH2+]Cc2cccc(F)c2O)nc1C ZINC000314225309 618780517 /nfs/dbraw/zinc/78/05/17/618780517.db2.gz VJHIDUAVXLRXNU-UHFFFAOYSA-N 1 1 260.312 2.833 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]CCOCC1CCCC1 ZINC000313259562 623674484 /nfs/dbraw/zinc/67/44/84/623674484.db2.gz ZYCRUNONSCRJLW-UHFFFAOYSA-N 1 1 267.344 2.828 10 10 CFCEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cc(Cl)ccc1O ZINC000156081999 650042770 /nfs/dbraw/zinc/04/27/70/650042770.db2.gz BXCBLURGCDAADR-AWEZNQCLSA-N 1 1 282.815 2.962 10 10 CFCEMO C[N@@H+]1CCc2cc(O)cc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 ZINC000003874842 371820252 /nfs/dbraw/zinc/82/02/52/371820252.db2.gz QNBCPLWFVGLFHO-ZDUSSCGKSA-N 1 1 283.327 2.556 10 10 CFCEMO C[N@H+]1CCc2cc(O)cc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 ZINC000003874842 371820263 /nfs/dbraw/zinc/82/02/63/371820263.db2.gz QNBCPLWFVGLFHO-ZDUSSCGKSA-N 1 1 283.327 2.556 10 10 CFCEMO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)c1O ZINC000124602429 377070485 /nfs/dbraw/zinc/07/04/85/377070485.db2.gz ZUGRRENNDLBBJT-WCQYABFASA-N 1 1 280.799 2.714 10 10 CFCEMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(Cl)c1O ZINC000124602429 377070493 /nfs/dbraw/zinc/07/04/93/377070493.db2.gz ZUGRRENNDLBBJT-WCQYABFASA-N 1 1 280.799 2.714 10 10 CFCEMO Cc1cccc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)c1O ZINC000180052533 380616540 /nfs/dbraw/zinc/61/65/40/380616540.db2.gz HHBJEFBWRLHLHV-OAHLLOKOSA-N 1 1 271.364 2.771 10 10 CFCEMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCC(=O)Nc1ccc(N)cc1 ZINC000022211035 171373459 /nfs/dbraw/zinc/37/34/59/171373459.db2.gz GHEIVRGSQCRPPL-BETUJISGSA-N 1 1 275.396 2.860 10 10 CFCEMO CO[C@]1(C)CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000230299882 521750306 /nfs/dbraw/zinc/75/03/06/521750306.db2.gz GGWOCQOQAIUDTJ-CQSZACIVSA-N 1 1 253.317 2.532 10 10 CFCEMO CO[C@]1(C)CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000230299882 521750309 /nfs/dbraw/zinc/75/03/09/521750309.db2.gz GGWOCQOQAIUDTJ-CQSZACIVSA-N 1 1 253.317 2.532 10 10 CFCEMO CN(C)[C@H](C[NH2+]Cc1cccc(F)c1O)c1ccco1 ZINC000164934483 522087218 /nfs/dbraw/zinc/08/72/18/522087218.db2.gz CRUZCKJHVVZQIN-CYBMUJFWSA-N 1 1 278.327 2.517 10 10 CFCEMO CC[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 ZINC000164722914 522948424 /nfs/dbraw/zinc/94/84/24/522948424.db2.gz DDTCMMUTVGQBOY-CVEARBPZSA-N 1 1 299.422 2.920 10 10 CFCEMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(F)c1O ZINC000160192284 523508672 /nfs/dbraw/zinc/50/86/72/523508672.db2.gz CPKZDBIBJSLEHA-CMPLNLGQSA-N 1 1 253.317 2.531 10 10 CFCEMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(F)c1O ZINC000160192284 523508673 /nfs/dbraw/zinc/50/86/73/523508673.db2.gz CPKZDBIBJSLEHA-CMPLNLGQSA-N 1 1 253.317 2.531 10 10 CFCEMO Cc1cc(O)c(C[N@H+]2CCS[C@@H](C)C2)cc1C ZINC000171606499 525318306 /nfs/dbraw/zinc/31/83/06/525318306.db2.gz LKDNNQKJUCZLKS-LBPRGKRZSA-N 1 1 251.395 2.946 10 10 CFCEMO Oc1ccc(C[NH2+]Cc2ccc(F)cc2F)cc1O ZINC000051016567 526344687 /nfs/dbraw/zinc/34/46/87/526344687.db2.gz NCQPDZLNUNZMLJ-UHFFFAOYSA-N 1 1 265.259 2.666 10 10 CFCEMO COc1cccc(C[NH2+]Cc2cccc(F)c2O)c1 ZINC000083445867 618023608 /nfs/dbraw/zinc/02/36/08/618023608.db2.gz MTTKYWNXEWKYIB-UHFFFAOYSA-N 1 1 261.296 2.830 10 10 CFCEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc2c(cc1O)CCC2 ZINC000177157729 618358538 /nfs/dbraw/zinc/35/85/38/618358538.db2.gz CELMWKJXNZPVMA-QGZVFWFLSA-N 1 1 288.435 2.797 10 10 CFCEMO CCN1CCC[C@@H]1C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000177157729 618358549 /nfs/dbraw/zinc/35/85/49/618358549.db2.gz CELMWKJXNZPVMA-QGZVFWFLSA-N 1 1 288.435 2.797 10 10 CFCEMO CCN1CCC[C@@H]1C[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000177157729 618358561 /nfs/dbraw/zinc/35/85/61/618358561.db2.gz CELMWKJXNZPVMA-QGZVFWFLSA-N 1 1 288.435 2.797 10 10 CFCEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1cc2c(cc1O)CCC2 ZINC000177157745 618359195 /nfs/dbraw/zinc/35/91/95/618359195.db2.gz CELMWKJXNZPVMA-KRWDZBQOSA-N 1 1 288.435 2.797 10 10 CFCEMO CCN1CCC[C@H]1C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000177157745 618359199 /nfs/dbraw/zinc/35/91/99/618359199.db2.gz CELMWKJXNZPVMA-KRWDZBQOSA-N 1 1 288.435 2.797 10 10 CFCEMO CCN1CCC[C@H]1C[N@@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000177157745 618359204 /nfs/dbraw/zinc/35/92/04/618359204.db2.gz CELMWKJXNZPVMA-KRWDZBQOSA-N 1 1 288.435 2.797 10 10 CFCEMO CN(C)C[C@H]([NH2+]Cc1cccc(F)c1O)c1ccccc1 ZINC000164936414 622974992 /nfs/dbraw/zinc/97/49/92/622974992.db2.gz ZJGKNAASJMFDFV-INIZCTEOSA-N 1 1 288.366 2.924 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000158719555 650233938 /nfs/dbraw/zinc/23/39/38/650233938.db2.gz HCUIRUJUMBKSHG-CYBMUJFWSA-N 1 1 257.308 2.961 10 10 CFCEMO Nc1ccc(N2CC[NH+]=C2c2ccc(F)cc2)cc1 ZINC000011847808 371932490 /nfs/dbraw/zinc/93/24/90/371932490.db2.gz YLQAWFJNBIQOAL-UHFFFAOYSA-N 1 1 255.296 2.675 10 10 CFCEMO COc1cccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1O ZINC000093438318 375237067 /nfs/dbraw/zinc/23/70/67/375237067.db2.gz WWPRPQXYTUATMO-CQSZACIVSA-N 1 1 287.363 2.851 10 10 CFCEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccccc3O)C2)c1 ZINC000179572771 380559357 /nfs/dbraw/zinc/55/93/57/380559357.db2.gz DPFKKHMTTBYMLV-HNNXBMFYSA-N 1 1 271.364 2.734 10 10 CFCEMO C[N@@H+]1CCc2cc(O)c(O)c3c2[C@H]1Cc1ccccc1-3 ZINC000005966823 170163628 /nfs/dbraw/zinc/16/36/28/170163628.db2.gz SYKWSIUDXOQIDR-CYBMUJFWSA-N 1 1 267.328 2.850 10 10 CFCEMO C[N@H+]1CCc2cc(O)c(O)c3c2[C@H]1Cc1ccccc1-3 ZINC000005966823 170163629 /nfs/dbraw/zinc/16/36/29/170163629.db2.gz SYKWSIUDXOQIDR-CYBMUJFWSA-N 1 1 267.328 2.850 10 10 CFCEMO C[C@H]1C[C@H](C)CN([C@@H](C[NH3+])c2ccc(N(C)C)cc2)C1 ZINC000022221311 171378341 /nfs/dbraw/zinc/37/83/41/171378341.db2.gz SQVKGXOMBXNWKR-ZQIUZPCESA-N 1 1 275.440 2.730 10 10 CFCEMO CC[C@H](C)C[N@@H+](C)[C@@H](CN)c1ccc(N(C)C)cc1 ZINC000037172663 173006692 /nfs/dbraw/zinc/00/66/92/173006692.db2.gz FYUKRKRYNVYITL-BBRMVZONSA-N 1 1 263.429 2.730 10 10 CFCEMO CC[C@H](C)CN(C)[C@@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000037172663 173006694 /nfs/dbraw/zinc/00/66/94/173006694.db2.gz FYUKRKRYNVYITL-BBRMVZONSA-N 1 1 263.429 2.730 10 10 CFCEMO COc1cccc(C[N@H+]2CCc3c(N)cccc3C2)c1O ZINC000038032480 174028155 /nfs/dbraw/zinc/02/81/55/174028155.db2.gz KWDHJBZTBITXNZ-UHFFFAOYSA-N 1 1 284.359 2.541 10 10 CFCEMO CC(C)OCC[N@@H+](Cc1ccc(N)cc1)C(C)C ZINC000049259848 519765432 /nfs/dbraw/zinc/76/54/32/519765432.db2.gz LXSRMNJBBHZSIG-UHFFFAOYSA-N 1 1 250.386 2.904 10 10 CFCEMO CCC[N@@H+](CCOC(C)C)Cc1ccc(N)cc1 ZINC000049259843 521669078 /nfs/dbraw/zinc/66/90/78/521669078.db2.gz RJDGFMYOPKNRAB-UHFFFAOYSA-N 1 1 250.386 2.906 10 10 CFCEMO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(F)c1O ZINC000160192423 523345015 /nfs/dbraw/zinc/34/50/15/523345015.db2.gz CPKZDBIBJSLEHA-JQWIXIFHSA-N 1 1 253.317 2.531 10 10 CFCEMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(F)c1O ZINC000160192423 523345024 /nfs/dbraw/zinc/34/50/24/523345024.db2.gz CPKZDBIBJSLEHA-JQWIXIFHSA-N 1 1 253.317 2.531 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000164934872 622975183 /nfs/dbraw/zinc/97/51/83/622975183.db2.gz NGIRJUMBEQXBPR-UHFFFAOYSA-N 1 1 275.279 2.550 10 10 CFCEMO Cc1cnc(C[NH2+]Cc2cccc(F)c2O)s1 ZINC000226609462 623083346 /nfs/dbraw/zinc/08/33/46/623083346.db2.gz CRDOVQDPTFHWRM-UHFFFAOYSA-N 1 1 252.314 2.586 10 10 CFCEMO COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1[O-] ZINC000231458663 623347265 /nfs/dbraw/zinc/34/72/65/623347265.db2.gz GFXDUYPCBCRNTK-CYBMUJFWSA-N 1 1 298.814 2.628 10 10 CFCEMO COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1[O-] ZINC000231458663 623347268 /nfs/dbraw/zinc/34/72/68/623347268.db2.gz GFXDUYPCBCRNTK-CYBMUJFWSA-N 1 1 298.814 2.628 10 10 CFCEMO COc1cccc(C[NH2+][C@H](C)c2ncc(C)o2)c1O ZINC000231528729 623354675 /nfs/dbraw/zinc/35/46/75/623354675.db2.gz OQVDXACIRNSXLH-SNVBAGLBSA-N 1 1 262.309 2.548 10 10 CFCEMO Cc1cnc([C@H](C)[NH2+]Cc2cc(F)ccc2O)o1 ZINC000231527782 623355766 /nfs/dbraw/zinc/35/57/66/623355766.db2.gz UCEGFFNLFXUEHO-VIFPVBQESA-N 1 1 250.273 2.679 10 10 CFCEMO CN(C)[C@@H]1CC[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000170843135 624957200 /nfs/dbraw/zinc/95/72/00/624957200.db2.gz YAWRHMCWUPECBS-CQSZACIVSA-N 1 1 292.423 2.531 10 10 CFCEMO CN(C)[C@@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000170843135 624957203 /nfs/dbraw/zinc/95/72/03/624957203.db2.gz YAWRHMCWUPECBS-CQSZACIVSA-N 1 1 292.423 2.531 10 10 CFCEMO COc1cc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c(O)cc1C ZINC000245514608 650818473 /nfs/dbraw/zinc/81/84/73/650818473.db2.gz GFZGDYMETHBPBX-GDBMZVCRSA-N 1 1 291.391 2.853 10 10 CFCEMO Oc1ccc(Cl)cc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000245852851 650838592 /nfs/dbraw/zinc/83/85/92/650838592.db2.gz DEBUARKFVFNLBL-AWEZNQCLSA-N 1 1 280.799 2.716 10 10 CFCEMO CCC[N@@H+](Cc1ccccc1O)C[C@](C)(O)CC ZINC000161328214 283297524 /nfs/dbraw/zinc/29/75/24/283297524.db2.gz GGFJSITWAUHEGH-OAHLLOKOSA-N 1 1 251.370 2.765 10 10 CFCEMO COc1cccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1O ZINC000093585804 375270257 /nfs/dbraw/zinc/27/02/57/375270257.db2.gz AWOVAXRUPXRDRI-RHSMWYFYSA-N 1 1 291.391 2.528 10 10 CFCEMO CN(C)[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000112590107 375931884 /nfs/dbraw/zinc/93/18/84/375931884.db2.gz YAELEGXUDQSAGB-CQSZACIVSA-N 1 1 270.376 2.681 10 10 CFCEMO Cc1cc(O)c(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1C ZINC000116259522 376173433 /nfs/dbraw/zinc/17/34/33/376173433.db2.gz WRBKRLGZGZPBRI-CQSZACIVSA-N 1 1 285.391 2.732 10 10 CFCEMO Oc1ccccc1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000179567663 380558072 /nfs/dbraw/zinc/55/80/72/380558072.db2.gz DKZXAXHLSQIHPP-CQSZACIVSA-N 1 1 283.375 2.721 10 10 CFCEMO Cc1nc(C[C@H]2CCC[N@@H+](Cc3ccccc3O)C2)no1 ZINC000179570413 380558313 /nfs/dbraw/zinc/55/83/13/380558313.db2.gz GJZNRHOKMVGHNM-CYBMUJFWSA-N 1 1 287.363 2.538 10 10 CFCEMO Cc1csc([C@@H]2C[N@H+](Cc3ccccc3O)CCO2)n1 ZINC000179567521 380559274 /nfs/dbraw/zinc/55/92/74/380559274.db2.gz UGESAPYRTVTXQS-AWEZNQCLSA-N 1 1 290.388 2.731 10 10 CFCEMO Cc1csc([C@@H]2C[N@@H+](Cc3ccccc3O)CCO2)n1 ZINC000179567521 380559279 /nfs/dbraw/zinc/55/92/79/380559279.db2.gz UGESAPYRTVTXQS-AWEZNQCLSA-N 1 1 290.388 2.731 10 10 CFCEMO Oc1ccccc1C[N@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000179575693 380560944 /nfs/dbraw/zinc/56/09/44/380560944.db2.gz YHVZJYKAWYSTLS-AWEZNQCLSA-N 1 1 257.337 2.843 10 10 CFCEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000179583355 380561189 /nfs/dbraw/zinc/56/11/89/380561189.db2.gz IFRHSAJQABQXSA-HNNXBMFYSA-N 1 1 271.364 2.562 10 10 CFCEMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000180262795 380640379 /nfs/dbraw/zinc/64/03/79/380640379.db2.gz RSECCCCCNOLDDX-HNNXBMFYSA-N 1 1 287.363 2.851 10 10 CFCEMO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000180120107 380622356 /nfs/dbraw/zinc/62/23/56/380622356.db2.gz OSSQRKNRSDSUCE-GOSISDBHSA-N 1 1 298.434 2.922 10 10 CFCEMO Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)c1 ZINC000180121042 380622729 /nfs/dbraw/zinc/62/27/29/380622729.db2.gz AYGZERPJDVHEGD-HNNXBMFYSA-N 1 1 289.354 2.873 10 10 CFCEMO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000180120088 380622768 /nfs/dbraw/zinc/62/27/68/380622768.db2.gz OSSQRKNRSDSUCE-SFHVURJKSA-N 1 1 298.434 2.922 10 10 CFCEMO C[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccc(F)cc1O ZINC000246942172 383123901 /nfs/dbraw/zinc/12/39/01/383123901.db2.gz OIFLUSBCTXJPHB-MISXGVKJSA-N 1 1 267.344 2.733 10 10 CFCEMO Cc1noc(C[NH2+]Cc2c(O)ccc3ccccc32)n1 ZINC000038034375 326869103 /nfs/dbraw/zinc/86/91/03/326869103.db2.gz MEVFDNRSMNGYGI-UHFFFAOYSA-N 1 1 269.304 2.527 10 10 CFCEMO CCC[N@H+](Cc1nnc(C)n1CC)Cc1ccccc1O ZINC000170779136 521695964 /nfs/dbraw/zinc/69/59/64/521695964.db2.gz SQFYGCGZQKTVCV-UHFFFAOYSA-N 1 1 288.395 2.724 10 10 CFCEMO CCC[N@@H+](Cc1nnc(C)n1CC)Cc1ccccc1O ZINC000170779136 521695966 /nfs/dbraw/zinc/69/59/66/521695966.db2.gz SQFYGCGZQKTVCV-UHFFFAOYSA-N 1 1 288.395 2.724 10 10 CFCEMO Oc1c(F)cccc1C[N@@H+]1CCOCC12CCCC2 ZINC000272503208 526328914 /nfs/dbraw/zinc/32/89/14/526328914.db2.gz VYPBXBRNYPMJBB-UHFFFAOYSA-N 1 1 265.328 2.676 10 10 CFCEMO Oc1c(F)cccc1C[N@H+]1CCOCC12CCCC2 ZINC000272503208 526328916 /nfs/dbraw/zinc/32/89/16/526328916.db2.gz VYPBXBRNYPMJBB-UHFFFAOYSA-N 1 1 265.328 2.676 10 10 CFCEMO Cc1ncc(C[NH2+]Cc2cccc(F)c2O)s1 ZINC000158733913 527274027 /nfs/dbraw/zinc/27/40/27/527274027.db2.gz LHFXYONPEBVTMQ-UHFFFAOYSA-N 1 1 252.314 2.586 10 10 CFCEMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2Cn2ccnc2)cc1C ZINC000188404055 618168801 /nfs/dbraw/zinc/16/88/01/618168801.db2.gz RPUUTLDVVVOFNU-MRXNPFEDSA-N 1 1 285.391 2.870 10 10 CFCEMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cc(C)ccc1O ZINC000184054337 618911778 /nfs/dbraw/zinc/91/17/78/618911778.db2.gz NNYNWRKWYUBTHR-JKSUJKDBSA-N 1 1 274.408 2.759 10 10 CFCEMO CC[C@H]1CN2CCC[C@@H]2C[N@@H+]1Cc1cc(C)ccc1O ZINC000184054337 618911780 /nfs/dbraw/zinc/91/17/80/618911780.db2.gz NNYNWRKWYUBTHR-JKSUJKDBSA-N 1 1 274.408 2.759 10 10 CFCEMO CC[C@H]1CN2CCC[C@@H]2C[N@H+]1Cc1cc(C)ccc1O ZINC000184054337 618911782 /nfs/dbraw/zinc/91/17/82/618911782.db2.gz NNYNWRKWYUBTHR-JKSUJKDBSA-N 1 1 274.408 2.759 10 10 CFCEMO Cc1cc(C)c(O)c(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000164393232 622952069 /nfs/dbraw/zinc/95/20/69/622952069.db2.gz HRPMOEYQJWANNZ-GOEBONIOSA-N 1 1 274.408 2.678 10 10 CFCEMO Cc1cc(C)c(O)c(C[N@H+]2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000164393232 622952071 /nfs/dbraw/zinc/95/20/71/622952071.db2.gz HRPMOEYQJWANNZ-GOEBONIOSA-N 1 1 274.408 2.678 10 10 CFCEMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H]3CCCN3C[C@@H]2C)c1 ZINC000164393232 622952074 /nfs/dbraw/zinc/95/20/74/622952074.db2.gz HRPMOEYQJWANNZ-GOEBONIOSA-N 1 1 274.408 2.678 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000165030307 622978530 /nfs/dbraw/zinc/97/85/30/622978530.db2.gz JHDWCQSRFSDLSQ-CYBMUJFWSA-N 1 1 273.307 2.625 10 10 CFCEMO COC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000151634343 623545295 /nfs/dbraw/zinc/54/52/95/623545295.db2.gz RLZYGCBAVWKIJE-CQSZACIVSA-N 1 1 299.370 2.930 10 10 CFCEMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CCS1 ZINC000131357264 645706625 /nfs/dbraw/zinc/70/66/25/645706625.db2.gz GQTHDAQSAUQKKU-VIFPVBQESA-N 1 1 257.786 2.983 10 10 CFCEMO C[N@H+]1CCc2cccc3c2[C@@H]1Cc1cc(O)c(O)cc1-3 ZINC000038921120 346340406 /nfs/dbraw/zinc/34/04/06/346340406.db2.gz ISTXHGONSIOJQO-AWEZNQCLSA-N 1 1 267.328 2.850 10 10 CFCEMO Cc1cc(O)c(C[N@@H+]2CC[C@H](c3cnn(C)c3)C2)cc1C ZINC000116259519 376173599 /nfs/dbraw/zinc/17/35/99/376173599.db2.gz WRBKRLGZGZPBRI-AWEZNQCLSA-N 1 1 285.391 2.732 10 10 CFCEMO Oc1ccccc1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000179567676 380558742 /nfs/dbraw/zinc/55/87/42/380558742.db2.gz DKZXAXHLSQIHPP-AWEZNQCLSA-N 1 1 283.375 2.721 10 10 CFCEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186097356 381822971 /nfs/dbraw/zinc/82/29/71/381822971.db2.gz XXJMAJVYLOFAOH-TVQRCGJNSA-N 1 1 290.342 2.617 10 10 CFCEMO Cc1cc(O)c(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1C ZINC000246931242 383122503 /nfs/dbraw/zinc/12/25/03/383122503.db2.gz DNPWAFBHHLSETL-GDBMZVCRSA-N 1 1 274.408 2.678 10 10 CFCEMO CCOc1cccc(CN(C)C[C@@H]2CCC[N@H+]2CC)c1O ZINC000156084932 276379639 /nfs/dbraw/zinc/37/96/39/276379639.db2.gz AUSRDZDDHJNAQT-HNNXBMFYSA-N 1 1 292.423 2.707 10 10 CFCEMO CCOc1cccc(C[N@H+](C)C[C@@H]2CCCN2CC)c1O ZINC000156084932 276379641 /nfs/dbraw/zinc/37/96/41/276379641.db2.gz AUSRDZDDHJNAQT-HNNXBMFYSA-N 1 1 292.423 2.707 10 10 CFCEMO CCOc1cccc(C[N@@H+](C)C[C@@H]2CCCN2CC)c1O ZINC000156084932 276379643 /nfs/dbraw/zinc/37/96/43/276379643.db2.gz AUSRDZDDHJNAQT-HNNXBMFYSA-N 1 1 292.423 2.707 10 10 CFCEMO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 ZINC000164682994 278372516 /nfs/dbraw/zinc/37/25/16/278372516.db2.gz WTBHCKAOTHRHJY-IUODEOHRSA-N 1 1 285.395 2.530 10 10 CFCEMO CC(C)C[C@H](CN(C)C)[NH2+]Cc1cccc(F)c1O ZINC000158718052 279133211 /nfs/dbraw/zinc/13/32/11/279133211.db2.gz UPKDGRGSAGIHFG-CYBMUJFWSA-N 1 1 268.376 2.597 10 10 CFCEMO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)cc1 ZINC000164671053 520290065 /nfs/dbraw/zinc/29/00/65/520290065.db2.gz VOIZOVZGFGALLM-XJKSGUPXSA-N 1 1 299.422 2.920 10 10 CFCEMO CCc1cnc(C[NH2+]Cc2cccc(F)c2O)s1 ZINC000226612963 522035930 /nfs/dbraw/zinc/03/59/30/522035930.db2.gz DFLILWIAPPOCNP-UHFFFAOYSA-N 1 1 266.341 2.840 10 10 CFCEMO Cc1cc(Cl)cc(CN2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000245856546 524866139 /nfs/dbraw/zinc/86/61/39/524866139.db2.gz NQRZGSAHRYIUPU-AWEZNQCLSA-N 1 1 280.799 2.634 10 10 CFCEMO C[C@@]1(C[NH2+]Cc2cccc(F)c2O)CCCS1 ZINC000158815047 525847971 /nfs/dbraw/zinc/84/79/71/525847971.db2.gz YRAXKQWWBUVUES-ZDUSSCGKSA-N 1 1 255.358 2.907 10 10 CFCEMO Oc1ccc(CC[NH2+]Cc2cccc(F)c2O)cc1 ZINC000083445921 618023437 /nfs/dbraw/zinc/02/34/37/618023437.db2.gz HZCRCUSIZIGBCF-UHFFFAOYSA-N 1 1 261.296 2.569 10 10 CFCEMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2Cn2ccnc2)cc1C ZINC000188404084 618168783 /nfs/dbraw/zinc/16/87/83/618168783.db2.gz RPUUTLDVVVOFNU-INIZCTEOSA-N 1 1 285.391 2.870 10 10 CFCEMO Cc1csc(CC[NH2+]Cc2cccc(F)c2O)n1 ZINC000158766389 618196683 /nfs/dbraw/zinc/19/66/83/618196683.db2.gz LQKHLJCPKPUEEA-UHFFFAOYSA-N 1 1 266.341 2.629 10 10 CFCEMO CC(C)[C@@H]([NH3+])c1cc(Br)cc(F)c1O ZINC000095716516 618288091 /nfs/dbraw/zinc/28/80/91/618288091.db2.gz JWZFXBNBDNVFFF-SECBINFHSA-N 1 1 262.122 2.950 10 10 CFCEMO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc(F)c1O ZINC000165036106 622979245 /nfs/dbraw/zinc/97/92/45/622979245.db2.gz TUUMMZAPRRWXDL-UHFFFAOYSA-N 1 1 276.267 2.729 10 10 CFCEMO CCOc1cccc(C[N@H+]2CCS[C@@H](C)C2)c1O ZINC000131355411 377700648 /nfs/dbraw/zinc/70/06/48/377700648.db2.gz TZQAFJXVWUNDGL-NSHDSACASA-N 1 1 267.394 2.728 10 10 CFCEMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cc(F)ccc1O ZINC000226565477 382830321 /nfs/dbraw/zinc/83/03/21/382830321.db2.gz DNKVFNYAYUKYEH-SWLSCSKDSA-N 1 1 278.371 2.590 10 10 CFCEMO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1cc(F)ccc1O ZINC000226565477 382830324 /nfs/dbraw/zinc/83/03/24/382830324.db2.gz DNKVFNYAYUKYEH-SWLSCSKDSA-N 1 1 278.371 2.590 10 10 CFCEMO C[C@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1cc(F)ccc1O ZINC000226565477 382830326 /nfs/dbraw/zinc/83/03/26/382830326.db2.gz DNKVFNYAYUKYEH-SWLSCSKDSA-N 1 1 278.371 2.590 10 10 CFCEMO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000245548445 383005366 /nfs/dbraw/zinc/00/53/66/383005366.db2.gz XSENZSXVVIVIMV-NVXWUHKLSA-N 1 1 291.391 2.934 10 10 CFCEMO Cc1cc(O)c(C[N@H+]2CCN3CCCC[C@H]3C2)cc1C ZINC000245552609 383006775 /nfs/dbraw/zinc/00/67/75/383006775.db2.gz DFSRDDIMJWOUGY-INIZCTEOSA-N 1 1 274.408 2.679 10 10 CFCEMO Cc1cc(O)c(CN2CC[N@@H+]3CCCC[C@H]3C2)cc1C ZINC000245552609 383006779 /nfs/dbraw/zinc/00/67/79/383006779.db2.gz DFSRDDIMJWOUGY-INIZCTEOSA-N 1 1 274.408 2.679 10 10 CFCEMO Cc1cc(O)c(CN2CC[N@H+]3CCCC[C@H]3C2)cc1C ZINC000245552609 383006783 /nfs/dbraw/zinc/00/67/83/383006783.db2.gz DFSRDDIMJWOUGY-INIZCTEOSA-N 1 1 274.408 2.679 10 10 CFCEMO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCCN(C)C ZINC000019959112 170942330 /nfs/dbraw/zinc/94/23/30/170942330.db2.gz XXVRHNJRHBRQRF-QWHCGFSZSA-N 1 1 262.397 2.790 10 10 CFCEMO CN(C)c1ccc([C@H](CN)[N@@H+](C)CC(C)(C)C)cc1 ZINC000020226121 171089885 /nfs/dbraw/zinc/08/98/85/171089885.db2.gz AMEYRDJMSWTIFF-HNNXBMFYSA-N 1 1 263.429 2.730 10 10 CFCEMO CN(C)c1ccc([C@H](C[NH3+])N(C)CC(C)(C)C)cc1 ZINC000020226121 171089888 /nfs/dbraw/zinc/08/98/88/171089888.db2.gz AMEYRDJMSWTIFF-HNNXBMFYSA-N 1 1 263.429 2.730 10 10 CFCEMO C[C@@H]1C[C@@H](C)CN([C@@H](C[NH3+])c2ccc(N(C)C)cc2)C1 ZINC000022221307 171378139 /nfs/dbraw/zinc/37/81/39/171378139.db2.gz SQVKGXOMBXNWKR-CPUCHLNUSA-N 1 1 275.440 2.730 10 10 CFCEMO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[N@@H+]1CCCNCC1 ZINC000038086999 174098522 /nfs/dbraw/zinc/09/85/22/174098522.db2.gz CSYQGLJIPIQYKU-CHWSQXEVSA-N 1 1 260.381 2.544 10 10 CFCEMO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[N@H+]1CCCNCC1 ZINC000038086999 174098523 /nfs/dbraw/zinc/09/85/23/174098523.db2.gz CSYQGLJIPIQYKU-CHWSQXEVSA-N 1 1 260.381 2.544 10 10 CFCEMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1O ZINC000183137837 273495841 /nfs/dbraw/zinc/49/58/41/273495841.db2.gz CSQRNTYRHVQZJO-XPTSAGLGSA-N 1 1 297.782 2.905 10 10 CFCEMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1O ZINC000183137869 518277856 /nfs/dbraw/zinc/27/78/56/518277856.db2.gz CSQRNTYRHVQZJO-LKFCYVNXSA-N 1 1 297.782 2.905 10 10 CFCEMO C[C@H](C[NH2+]Cc1cccc(F)c1O)c1nccs1 ZINC000230694714 524488484 /nfs/dbraw/zinc/48/84/84/524488484.db2.gz UDIGMWJEKDJWOF-SECBINFHSA-N 1 1 266.341 2.881 10 10 CFCEMO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1O ZINC000085963762 525387345 /nfs/dbraw/zinc/38/73/45/525387345.db2.gz OIFLUSBCTXJPHB-MJVIPROJSA-N 1 1 267.344 2.733 10 10 CFCEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc(OC)c(C)cc1O ZINC000160344590 618014143 /nfs/dbraw/zinc/01/41/43/618014143.db2.gz DQSXNIIGDPYMII-OAHLLOKOSA-N 1 1 292.423 2.625 10 10 CFCEMO CCN1CCC[C@@H]1C[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000160344590 618014145 /nfs/dbraw/zinc/01/41/45/618014145.db2.gz DQSXNIIGDPYMII-OAHLLOKOSA-N 1 1 292.423 2.625 10 10 CFCEMO CCN1CCC[C@@H]1C[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000160344590 618014149 /nfs/dbraw/zinc/01/41/49/618014149.db2.gz DQSXNIIGDPYMII-OAHLLOKOSA-N 1 1 292.423 2.625 10 10 CFCEMO COCc1ccccc1C[NH2+]Cc1cccc(F)c1O ZINC000165020121 622200437 /nfs/dbraw/zinc/20/04/37/622200437.db2.gz HKFPFNABUVLEKO-UHFFFAOYSA-N 1 1 275.323 2.968 10 10 CFCEMO CS[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000226612675 623085069 /nfs/dbraw/zinc/08/50/69/623085069.db2.gz YIEIUGWBCPRPEL-GHMZBOCLSA-N 1 1 255.358 2.905 10 10 CFCEMO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(F)cc1O ZINC000062747911 623296221 /nfs/dbraw/zinc/29/62/21/623296221.db2.gz KTATZVVCVJICCA-JQWIXIFHSA-N 1 1 253.317 2.751 10 10 CFCEMO C[N@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCC[NH2+]CC1 ZINC000231461197 623347210 /nfs/dbraw/zinc/34/72/10/623347210.db2.gz HKCUFDWBOHHPTB-CYBMUJFWSA-N 1 1 268.788 2.620 10 10 CFCEMO C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@@H]1CCC[NH2+]CC1 ZINC000231461197 623347216 /nfs/dbraw/zinc/34/72/16/623347216.db2.gz HKCUFDWBOHHPTB-CYBMUJFWSA-N 1 1 268.788 2.620 10 10 CFCEMO C[N@@H+](CCCOc1ccc(N)cc1)CCc1ccc(N)cc1 ZINC000584594919 348683210 /nfs/dbraw/zinc/68/32/10/348683210.db2.gz DZXNMXVQXAAAAB-UHFFFAOYSA-N 1 1 299.418 2.794 10 10 CFCEMO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000092831845 375163049 /nfs/dbraw/zinc/16/30/49/375163049.db2.gz QNHZOLXMCGUMPJ-CQSZACIVSA-N 1 1 290.388 2.731 10 10 CFCEMO Cc1ccc(O)c(C[N@H+]2CCO[C@@H](c3nccs3)C2)c1 ZINC000092831845 375163055 /nfs/dbraw/zinc/16/30/55/375163055.db2.gz QNHZOLXMCGUMPJ-CQSZACIVSA-N 1 1 290.388 2.731 10 10 CFCEMO Cc1cc(O)c(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1C ZINC000153207871 378480184 /nfs/dbraw/zinc/48/01/84/378480184.db2.gz DNPWAFBHHLSETL-GOEBONIOSA-N 1 1 274.408 2.678 10 10 CFCEMO Cc1cc(O)c(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1C ZINC000153207761 378480858 /nfs/dbraw/zinc/48/08/58/378480858.db2.gz DNPWAFBHHLSETL-HOCLYGCPSA-N 1 1 274.408 2.678 10 10 CFCEMO Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000180130942 380621629 /nfs/dbraw/zinc/62/16/29/380621629.db2.gz MADKAYRSOQJSKO-INIZCTEOSA-N 1 1 285.391 2.870 10 10 CFCEMO OC[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1c1ccsc1 ZINC000190283212 382660688 /nfs/dbraw/zinc/66/06/88/382660688.db2.gz JYUULGVYJYUVBU-GJZGRUSLSA-N 1 1 289.400 2.662 10 10 CFCEMO COC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000194582268 382749162 /nfs/dbraw/zinc/74/91/62/382749162.db2.gz PEVUKBFMUXLZQP-AWEZNQCLSA-N 1 1 277.364 2.537 10 10 CFCEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(C)c1O ZINC000248406600 383237182 /nfs/dbraw/zinc/23/71/82/383237182.db2.gz BYZDKRLFMLHAAQ-HOTGVXAUSA-N 1 1 274.408 2.759 10 10 CFCEMO CC[C@H]1CN2CCC[C@H]2C[N@@H+]1Cc1cccc(C)c1O ZINC000248406600 383237185 /nfs/dbraw/zinc/23/71/85/383237185.db2.gz BYZDKRLFMLHAAQ-HOTGVXAUSA-N 1 1 274.408 2.759 10 10 CFCEMO CC[C@H]1CN2CCC[C@H]2C[N@H+]1Cc1cccc(C)c1O ZINC000248406600 383237188 /nfs/dbraw/zinc/23/71/88/383237188.db2.gz BYZDKRLFMLHAAQ-HOTGVXAUSA-N 1 1 274.408 2.759 10 10 CFCEMO CCN(CC)c1ccc([C@@H](CN)[NH+]2CCCC2)cc1 ZINC000039789117 174172952 /nfs/dbraw/zinc/17/29/52/174172952.db2.gz JJTWEXUWESYUCE-MRXNPFEDSA-N 1 1 261.413 2.628 10 10 CFCEMO Cc1noc(C[NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)n1 ZINC000038034412 326869070 /nfs/dbraw/zinc/86/90/70/326869070.db2.gz REROKYUAWYFSMW-ONGXEEELSA-N 1 1 273.336 2.730 10 10 CFCEMO CC(C)(C)N1CCN(c2ccc(C[NH3+])cc2Cl)CC1 ZINC000062793006 518712446 /nfs/dbraw/zinc/71/24/46/518712446.db2.gz MWSPYEYNCQVRTN-UHFFFAOYSA-N 1 1 281.831 2.719 10 10 CFCEMO CC[N@@H+](Cc1cccc(F)c1O)C[C@@H]1CCCO1 ZINC000160206514 521348715 /nfs/dbraw/zinc/34/87/15/521348715.db2.gz WKUSIOWAMLJJNY-LBPRGKRZSA-N 1 1 253.317 2.532 10 10 CFCEMO CC[N@H+](Cc1cccc(F)c1O)C[C@@H]1CCCO1 ZINC000160206514 521348722 /nfs/dbraw/zinc/34/87/22/521348722.db2.gz WKUSIOWAMLJJNY-LBPRGKRZSA-N 1 1 253.317 2.532 10 10 CFCEMO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cccc(F)c1O ZINC000160192158 523351813 /nfs/dbraw/zinc/35/18/13/523351813.db2.gz CPKZDBIBJSLEHA-PWSUYJOCSA-N 1 1 253.317 2.531 10 10 CFCEMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cccc(F)c1O ZINC000160192158 523351819 /nfs/dbraw/zinc/35/18/19/523351819.db2.gz CPKZDBIBJSLEHA-PWSUYJOCSA-N 1 1 253.317 2.531 10 10 CFCEMO COc1cccc(CC[NH2+]Cc2cccc(F)c2O)c1 ZINC000226585136 525900247 /nfs/dbraw/zinc/90/02/47/525900247.db2.gz TZKSNZSNNABZJB-UHFFFAOYSA-N 1 1 275.323 2.872 10 10 CFCEMO Oc1ccc(F)cc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245967964 526349172 /nfs/dbraw/zinc/34/91/72/526349172.db2.gz NPINTIQFINFXQE-HIFRSBDPSA-N 1 1 265.328 2.675 10 10 CFCEMO CCOC[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1O ZINC000313466674 618990056 /nfs/dbraw/zinc/99/00/56/618990056.db2.gz FTZLPUPHQQOLKZ-ZDUSSCGKSA-N 1 1 267.344 2.922 10 10 CFCEMO CCOC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1O ZINC000313466674 618990057 /nfs/dbraw/zinc/99/00/57/618990057.db2.gz FTZLPUPHQQOLKZ-ZDUSSCGKSA-N 1 1 267.344 2.922 10 10 CFCEMO CS[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000226612682 619153057 /nfs/dbraw/zinc/15/30/57/619153057.db2.gz YIEIUGWBCPRPEL-MNOVXSKESA-N 1 1 255.358 2.905 10 10 CFCEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc(C)cc(C)c1O ZINC000164444916 622956444 /nfs/dbraw/zinc/95/64/44/622956444.db2.gz PRGOGUYDDVBUFL-MRXNPFEDSA-N 1 1 276.424 2.925 10 10 CFCEMO CCN1CCC[C@@H]1C[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000164444916 622956450 /nfs/dbraw/zinc/95/64/50/622956450.db2.gz PRGOGUYDDVBUFL-MRXNPFEDSA-N 1 1 276.424 2.925 10 10 CFCEMO CCN1CCC[C@@H]1C[N@@H+](C)Cc1cc(C)cc(C)c1O ZINC000164444916 622956452 /nfs/dbraw/zinc/95/64/52/622956452.db2.gz PRGOGUYDDVBUFL-MRXNPFEDSA-N 1 1 276.424 2.925 10 10 CFCEMO C[C@@H](C[NH2+]Cc1cccc(F)c1O)NC(=O)OC(C)(C)C ZINC000227680660 623116176 /nfs/dbraw/zinc/11/61/76/623116176.db2.gz RWOSWKAYUMQOJH-JTQLQIEISA-N 1 1 298.358 2.534 10 10 CFCEMO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2O)C1 ZINC000062747962 623296190 /nfs/dbraw/zinc/29/61/90/623296190.db2.gz GMMYFTZUSHMYHC-WCQYABFASA-N 1 1 266.360 2.666 10 10 CFCEMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccc(N(C)C)cc1 ZINC000248419222 650933123 /nfs/dbraw/zinc/93/31/23/650933123.db2.gz UTTXXSHIWGVCEC-WMZOPIPTSA-N 1 1 287.451 2.811 10 10 CFCEMO Oc1cc2c(cc1CN1CC[N@H+]3CCC[C@H]3C1)CCCC2 ZINC000252734231 651022485 /nfs/dbraw/zinc/02/24/85/651022485.db2.gz HUUBJLPVIGPPBL-KRWDZBQOSA-N 1 1 286.419 2.551 10 10 CFCEMO COc1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1O ZINC000093585805 375270020 /nfs/dbraw/zinc/27/00/20/375270020.db2.gz AWOVAXRUPXRDRI-PBHICJAKSA-N 1 1 291.391 2.528 10 10 CFCEMO CCOc1ccc(O)c(CN(C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000123439315 376954253 /nfs/dbraw/zinc/95/42/53/376954253.db2.gz YZGRQQYYAJAHHU-HNNXBMFYSA-N 1 1 292.423 2.707 10 10 CFCEMO CCOc1ccc(O)c(C[N@H+](C)C[C@@H]2CCCN2CC)c1 ZINC000123439315 376954261 /nfs/dbraw/zinc/95/42/61/376954261.db2.gz YZGRQQYYAJAHHU-HNNXBMFYSA-N 1 1 292.423 2.707 10 10 CFCEMO CCOc1ccc(O)c(C[N@@H+](C)C[C@@H]2CCCN2CC)c1 ZINC000123439315 376954271 /nfs/dbraw/zinc/95/42/71/376954271.db2.gz YZGRQQYYAJAHHU-HNNXBMFYSA-N 1 1 292.423 2.707 10 10 CFCEMO Cn1cc([C@H]2CCC[N@H+]2Cc2cc(F)ccc2O)cn1 ZINC000180074371 380618482 /nfs/dbraw/zinc/61/84/82/380618482.db2.gz GUFNXHZIRFNNMO-CQSZACIVSA-N 1 1 275.327 2.602 10 10 CFCEMO Cc1cc(Cl)cc(CN2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000180147647 380625039 /nfs/dbraw/zinc/62/50/39/380625039.db2.gz NQRZGSAHRYIUPU-CQSZACIVSA-N 1 1 280.799 2.634 10 10 CFCEMO [NH3+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1O ZINC000575340287 382759343 /nfs/dbraw/zinc/75/93/43/382759343.db2.gz WXFOKADPITZUNT-UHFFFAOYSA-N 1 1 259.149 2.889 10 10 CFCEMO CC[N@@H+](CC(=O)Nc1ccc(N)cc1)Cc1ccccc1 ZINC000020486117 171224959 /nfs/dbraw/zinc/22/49/59/171224959.db2.gz PMQADTSIYIMVPW-UHFFFAOYSA-N 1 1 283.375 2.729 10 10 CFCEMO C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)Nc2ccc(N)cc2)C1 ZINC000022221972 171378801 /nfs/dbraw/zinc/37/88/01/171378801.db2.gz IHHXMERGFUYNEY-BETUJISGSA-N 1 1 275.396 2.575 10 10 CFCEMO C[C@@H](NC[C@H](C)C[NH+]1CCCCC1)c1cc(O)ccc1O ZINC000038041706 174043630 /nfs/dbraw/zinc/04/36/30/174043630.db2.gz YCEDPAQGVKCYBX-UONOGXRCSA-N 1 1 292.423 2.870 10 10 CFCEMO CCN(CC)c1ccc([C@H](C[NH3+])N(CC)CC)cc1 ZINC000039789112 174173088 /nfs/dbraw/zinc/17/30/88/174173088.db2.gz YHCMYBALQPDTBK-INIZCTEOSA-N 1 1 263.429 2.874 10 10 CFCEMO C[C@@H](c1cc(O)ccc1O)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032450 274275985 /nfs/dbraw/zinc/27/59/85/274275985.db2.gz QSBHFERXDXPAFL-NSHDSACASA-N 1 1 284.359 2.799 10 10 CFCEMO CC(C)CCOCC[NH2+]Cc1cccc(F)c1O ZINC000158749474 519668796 /nfs/dbraw/zinc/66/87/96/519668796.db2.gz NAXNLBLQLIYTLV-UHFFFAOYSA-N 1 1 255.333 2.684 10 10 CFCEMO C[NH2+][C@@H](C)c1ccc(N2CCCN(C)CC2)c(Cl)c1 ZINC000061694552 522332243 /nfs/dbraw/zinc/33/22/43/522332243.db2.gz YSMFUHZQBTZEMN-LBPRGKRZSA-N 1 1 281.831 2.762 10 10 CFCEMO C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cc(F)ccc1O ZINC000300416027 524683825 /nfs/dbraw/zinc/68/38/25/524683825.db2.gz DNKVFNYAYUKYEH-WFASDCNBSA-N 1 1 278.371 2.590 10 10 CFCEMO C[C@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1cc(F)ccc1O ZINC000300416027 524683839 /nfs/dbraw/zinc/68/38/39/524683839.db2.gz DNKVFNYAYUKYEH-WFASDCNBSA-N 1 1 278.371 2.590 10 10 CFCEMO C[C@H]1CN2CCCC[C@H]2C[N@H+]1Cc1cc(F)ccc1O ZINC000300416027 524683849 /nfs/dbraw/zinc/68/38/49/524683849.db2.gz DNKVFNYAYUKYEH-WFASDCNBSA-N 1 1 278.371 2.590 10 10 CFCEMO C[C@]1(C[NH2+]Cc2cccc(F)c2O)CCCS1 ZINC000158814929 525266325 /nfs/dbraw/zinc/26/63/25/525266325.db2.gz YRAXKQWWBUVUES-CYBMUJFWSA-N 1 1 255.358 2.907 10 10 CFCEMO COc1cc(C)cc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)c1O ZINC000164141741 622940183 /nfs/dbraw/zinc/94/01/83/622940183.db2.gz YHLSFVHEWDIYEE-GJZGRUSLSA-N 1 1 291.391 2.853 10 10 CFCEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1cc(C)cc(OC)c1O ZINC000164445186 622956301 /nfs/dbraw/zinc/95/63/01/622956301.db2.gz AUAVEHUINBWRQT-OAHLLOKOSA-N 1 1 292.423 2.625 10 10 CFCEMO CCN1CCC[C@@H]1C[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164445186 622956305 /nfs/dbraw/zinc/95/63/05/622956305.db2.gz AUAVEHUINBWRQT-OAHLLOKOSA-N 1 1 292.423 2.625 10 10 CFCEMO CCN1CCC[C@@H]1C[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164445186 622956306 /nfs/dbraw/zinc/95/63/06/622956306.db2.gz AUAVEHUINBWRQT-OAHLLOKOSA-N 1 1 292.423 2.625 10 10 CFCEMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)CCC3)CCS1 ZINC000171606537 623233761 /nfs/dbraw/zinc/23/37/61/623233761.db2.gz SFTNTYXLQYFFGO-NSHDSACASA-N 1 1 263.406 2.818 10 10 CFCEMO CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(N(C)C)cc1 ZINC000123361275 641102172 /nfs/dbraw/zinc/10/21/72/641102172.db2.gz CQHBJZAOOKCSPM-KRWDZBQOSA-N 1 1 275.440 2.669 10 10 CFCEMO Oc1c(Cl)cccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000124576908 377065744 /nfs/dbraw/zinc/06/57/44/377065744.db2.gz HNTOAGXODLBEIA-CYBMUJFWSA-N 1 1 280.799 2.716 10 10 CFCEMO Oc1c(Cl)cccc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000124576908 377065749 /nfs/dbraw/zinc/06/57/49/377065749.db2.gz HNTOAGXODLBEIA-CYBMUJFWSA-N 1 1 280.799 2.716 10 10 CFCEMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179572702 380558886 /nfs/dbraw/zinc/55/88/86/380558886.db2.gz AVHKPOWXKHNVFQ-HNNXBMFYSA-N 1 1 285.391 2.988 10 10 CFCEMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000180262774 380640315 /nfs/dbraw/zinc/64/03/15/380640315.db2.gz RSECCCCCNOLDDX-OAHLLOKOSA-N 1 1 287.363 2.851 10 10 CFCEMO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(F)cc1O ZINC000185507033 381653302 /nfs/dbraw/zinc/65/33/02/381653302.db2.gz XFKUOCMQNVVERN-MISXGVKJSA-N 1 1 267.344 2.733 10 10 CFCEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cccc(C)c1O ZINC000182076210 393506749 /nfs/dbraw/zinc/50/67/49/393506749.db2.gz BYZDKRLFMLHAAQ-HZPDHXFCSA-N 1 1 274.408 2.759 10 10 CFCEMO CC[C@@H]1CN2CCC[C@@H]2C[N@@H+]1Cc1cccc(C)c1O ZINC000182076210 393506755 /nfs/dbraw/zinc/50/67/55/393506755.db2.gz BYZDKRLFMLHAAQ-HZPDHXFCSA-N 1 1 274.408 2.759 10 10 CFCEMO CC[C@@H]1CN2CCC[C@@H]2C[N@H+]1Cc1cccc(C)c1O ZINC000182076210 393506758 /nfs/dbraw/zinc/50/67/58/393506758.db2.gz BYZDKRLFMLHAAQ-HZPDHXFCSA-N 1 1 274.408 2.759 10 10 CFCEMO C[N@@H+]1CCc2cc(O)c(O)c3c2[C@@H]1Cc1ccccc1-3 ZINC000005966818 170163729 /nfs/dbraw/zinc/16/37/29/170163729.db2.gz SYKWSIUDXOQIDR-ZDUSSCGKSA-N 1 1 267.328 2.850 10 10 CFCEMO C[N@H+]1CCc2cc(O)c(O)c3c2[C@@H]1Cc1ccccc1-3 ZINC000005966818 170163730 /nfs/dbraw/zinc/16/37/30/170163730.db2.gz SYKWSIUDXOQIDR-ZDUSSCGKSA-N 1 1 267.328 2.850 10 10 CFCEMO C[C@@H](c1ccc(O)cc1O)[N@H+]1CCc2c(N)cccc2C1 ZINC000038032501 274276934 /nfs/dbraw/zinc/27/69/34/274276934.db2.gz VYJJHSGBDUSRTG-NSHDSACASA-N 1 1 284.359 2.799 10 10 CFCEMO C[NH+](C)CCCC[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000045663434 524052950 /nfs/dbraw/zinc/05/29/50/524052950.db2.gz QJQWUMWEZGMSJJ-UHFFFAOYSA-N 1 1 272.392 2.977 10 10 CFCEMO Cc1cc(C)n(CCC[NH2+]Cc2cccc(F)c2O)n1 ZINC000166043223 524524352 /nfs/dbraw/zinc/52/43/52/524524352.db2.gz XFSHELXIDYZIBS-UHFFFAOYSA-N 1 1 277.343 2.525 10 10 CFCEMO COc1cccc(C[N@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1O ZINC000245687394 525952248 /nfs/dbraw/zinc/95/22/48/525952248.db2.gz AWOVAXRUPXRDRI-WMLDXEAASA-N 1 1 291.391 2.528 10 10 CFCEMO Oc1ccc(F)cc1C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000245909864 526348216 /nfs/dbraw/zinc/34/82/16/526348216.db2.gz FSPCDAKWMVGWDJ-BBRMVZONSA-N 1 1 279.355 2.658 10 10 CFCEMO COc1cc(C)cc(C[N@H+]2CCS[C@@H](C)C2)c1O ZINC000164295457 622948671 /nfs/dbraw/zinc/94/86/71/622948671.db2.gz HKZHKGQNZLAGST-NSHDSACASA-N 1 1 267.394 2.647 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000165030411 622978151 /nfs/dbraw/zinc/97/81/51/622978151.db2.gz JHDWCQSRFSDLSQ-ZDUSSCGKSA-N 1 1 273.307 2.625 10 10 CFCEMO CC1(C)CCC(O)(C[NH2+]Cc2cccc(F)c2O)CC1 ZINC000165043834 622980415 /nfs/dbraw/zinc/98/04/15/622980415.db2.gz MKMYTNNKTXFBOS-UHFFFAOYSA-N 1 1 281.371 2.952 10 10 CFCEMO C[C@H](C[NH2+]Cc1cccc(F)c1O)NC(=O)OC(C)(C)C ZINC000227680666 623115834 /nfs/dbraw/zinc/11/58/34/623115834.db2.gz RWOSWKAYUMQOJH-SNVBAGLBSA-N 1 1 298.358 2.534 10 10 CFCEMO CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc(N(C)C)cc1 ZINC000123361050 641102141 /nfs/dbraw/zinc/10/21/41/641102141.db2.gz CQHBJZAOOKCSPM-QGZVFWFLSA-N 1 1 275.440 2.669 10 10 CFCEMO Cc1cc(C)c(O)c(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000246395915 650866680 /nfs/dbraw/zinc/86/66/80/650866680.db2.gz HRPMOEYQJWANNZ-GDBMZVCRSA-N 1 1 274.408 2.678 10 10 CFCEMO Cc1cc(C)c(O)c(C[N@H+]2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000246395915 650866683 /nfs/dbraw/zinc/86/66/83/650866683.db2.gz HRPMOEYQJWANNZ-GDBMZVCRSA-N 1 1 274.408 2.678 10 10 CFCEMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H]3CCCN3C[C@H]2C)c1 ZINC000246395915 650866686 /nfs/dbraw/zinc/86/66/86/650866686.db2.gz HRPMOEYQJWANNZ-GDBMZVCRSA-N 1 1 274.408 2.678 10 10 CFCEMO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000090225473 375006754 /nfs/dbraw/zinc/00/67/54/375006754.db2.gz JZMXANLFLNSRSG-LRDDRELGSA-N 1 1 299.422 2.838 10 10 CFCEMO Oc1ccc(F)cc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000179942908 380602188 /nfs/dbraw/zinc/60/21/88/380602188.db2.gz NPINTIQFINFXQE-ZFWWWQNUSA-N 1 1 265.328 2.675 10 10 CFCEMO Cc1cccc(C[N@@H+]2CCO[C@H](c3nccs3)C2)c1O ZINC000180007635 380609733 /nfs/dbraw/zinc/60/97/33/380609733.db2.gz LHANSDRMNWSMBQ-ZDUSSCGKSA-N 1 1 290.388 2.731 10 10 CFCEMO Cc1cccc(C[N@H+]2CCO[C@H](c3nccs3)C2)c1O ZINC000180007635 380609739 /nfs/dbraw/zinc/60/97/39/380609739.db2.gz LHANSDRMNWSMBQ-ZDUSSCGKSA-N 1 1 290.388 2.731 10 10 CFCEMO CCOC1(C[NH2+]Cc2cccc(F)c2O)CCCC1 ZINC000293635385 382206526 /nfs/dbraw/zinc/20/65/26/382206526.db2.gz LUMFQAHEDQXLFP-UHFFFAOYSA-N 1 1 267.344 2.970 10 10 CFCEMO Oc1ccc2ccccc2c1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000246911351 383120296 /nfs/dbraw/zinc/12/02/96/383120296.db2.gz CLFIZTAOSMFFKF-HNNXBMFYSA-N 1 1 282.387 2.825 10 10 CFCEMO Oc1ccc2ccccc2c1C[N@@H+]1CCN2CCC[C@H]2C1 ZINC000246911351 383120300 /nfs/dbraw/zinc/12/03/00/383120300.db2.gz CLFIZTAOSMFFKF-HNNXBMFYSA-N 1 1 282.387 2.825 10 10 CFCEMO Oc1ccc2ccccc2c1C[N@H+]1CCN2CCC[C@H]2C1 ZINC000246911351 383120304 /nfs/dbraw/zinc/12/03/04/383120304.db2.gz CLFIZTAOSMFFKF-HNNXBMFYSA-N 1 1 282.387 2.825 10 10 CFCEMO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)cc1 ZINC000247208494 383153144 /nfs/dbraw/zinc/15/31/44/383153144.db2.gz VOIZOVZGFGALLM-CJNGLKHVSA-N 1 1 299.422 2.920 10 10 CFCEMO CCN(CC)CC[N@H+](Cc1ccc(N)cc1)C1CC1 ZINC000035366038 172156788 /nfs/dbraw/zinc/15/67/88/172156788.db2.gz HUHKCKJUXJXZBN-UHFFFAOYSA-N 1 1 261.413 2.575 10 10 CFCEMO CCN(CC)CC[N@@H+](Cc1ccc(N)cc1)C1CC1 ZINC000035366038 172156793 /nfs/dbraw/zinc/15/67/93/172156793.db2.gz HUHKCKJUXJXZBN-UHFFFAOYSA-N 1 1 261.413 2.575 10 10 CFCEMO CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cccc(F)c1O ZINC000158717925 519775972 /nfs/dbraw/zinc/77/59/72/519775972.db2.gz UPKDGRGSAGIHFG-ZDUSSCGKSA-N 1 1 268.376 2.597 10 10 CFCEMO CCCN(Cc1ccc(N)cc1)c1[nH+]ccn1CC ZINC000050614423 521684791 /nfs/dbraw/zinc/68/47/91/521684791.db2.gz ZTUHDWMFRBFXBC-UHFFFAOYSA-N 1 1 258.369 2.902 10 10 CFCEMO CC[N@H+]1CCC[C@H](Nc2c(N)cccc2Cl)C1 ZINC000049193379 521649483 /nfs/dbraw/zinc/64/94/83/521649483.db2.gz NEQTVVOYFFFCAY-JTQLQIEISA-N 1 1 253.777 2.818 10 10 CFCEMO Cc1cccc(C[N@@H+]2C[C@H]3CCCCN3C[C@H]2C)c1O ZINC000228177395 524409879 /nfs/dbraw/zinc/40/98/79/524409879.db2.gz NCFFDXXULYWNOM-GDBMZVCRSA-N 1 1 274.408 2.759 10 10 CFCEMO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc(Cl)c1O ZINC000246017209 525088094 /nfs/dbraw/zinc/08/80/94/525088094.db2.gz ZUGRRENNDLBBJT-YPMHNXCESA-N 1 1 280.799 2.714 10 10 CFCEMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cccc(Cl)c1O ZINC000246017209 525088105 /nfs/dbraw/zinc/08/81/05/525088105.db2.gz ZUGRRENNDLBBJT-YPMHNXCESA-N 1 1 280.799 2.714 10 10 CFCEMO Oc1c(F)cccc1C[NH2+]CC[C@H]1CCCCO1 ZINC000227522072 526330620 /nfs/dbraw/zinc/33/06/20/526330620.db2.gz ZCWFGNJHAXDRBE-GFCCVEGCSA-N 1 1 253.317 2.580 10 10 CFCEMO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccc(N(C)C)cc1 ZINC000182075201 618889414 /nfs/dbraw/zinc/88/94/14/618889414.db2.gz UTTXXSHIWGVCEC-SJLPKXTDSA-N 1 1 287.451 2.811 10 10 CFCEMO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(F)c2O)cc1 ZINC000165019765 622978425 /nfs/dbraw/zinc/97/84/25/622978425.db2.gz GCNVDBWVZZYKMD-UHFFFAOYSA-N 1 1 276.267 2.729 10 10 CFCEMO CS[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2O)C1 ZINC000226612696 623085007 /nfs/dbraw/zinc/08/50/07/623085007.db2.gz YIEIUGWBCPRPEL-QWRGUYRKSA-N 1 1 255.358 2.905 10 10 CFCEMO COc1cccc(C[NH2+][C@@H](C)c2ncc(C)o2)c1O ZINC000231528707 623355865 /nfs/dbraw/zinc/35/58/65/623355865.db2.gz OQVDXACIRNSXLH-JTQLQIEISA-N 1 1 262.309 2.548 10 10 CFCEMO Oc1ccc(Cl)cc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000156078793 650042584 /nfs/dbraw/zinc/04/25/84/650042584.db2.gz DEBUARKFVFNLBL-CQSZACIVSA-N 1 1 280.799 2.716 10 10 CFCEMO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CCCCN3C[C@@H]2C)c1 ZINC000211546090 644957608 /nfs/dbraw/zinc/95/76/08/644957608.db2.gz LKYVFTYYQPYXSS-GOEBONIOSA-N 1 1 274.408 2.759 10 10 CFCEMO CN(C)c1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000245513941 383003664 /nfs/dbraw/zinc/00/36/64/383003664.db2.gz DVRGRFFHYSBGTG-SJORKVTESA-N 1 1 274.408 2.896 10 10 CFCEMO CC[C@H]1C[N@H+](Cc2cccc(F)c2O)CCCO1 ZINC000281262973 385190038 /nfs/dbraw/zinc/19/00/38/385190038.db2.gz NEZYSONJZIALIN-LBPRGKRZSA-N 1 1 253.317 2.532 10 10 CFCEMO CC[C@H]1C[N@@H+](Cc2cccc(F)c2O)CCCO1 ZINC000281262973 385190047 /nfs/dbraw/zinc/19/00/47/385190047.db2.gz NEZYSONJZIALIN-LBPRGKRZSA-N 1 1 253.317 2.532 10 10 CFCEMO Nc1ccc(N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000020270763 171126604 /nfs/dbraw/zinc/12/66/04/171126604.db2.gz UAZLXYDWZRYSNQ-UHFFFAOYSA-N 1 1 281.403 2.981 10 10 CFCEMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[N@@H+]1CCCNCC1 ZINC000038086997 174098489 /nfs/dbraw/zinc/09/84/89/174098489.db2.gz CSYQGLJIPIQYKU-OLZOCXBDSA-N 1 1 260.381 2.544 10 10 CFCEMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[N@H+]1CCCNCC1 ZINC000038086997 174098491 /nfs/dbraw/zinc/09/84/91/174098491.db2.gz CSYQGLJIPIQYKU-OLZOCXBDSA-N 1 1 260.381 2.544 10 10 CFCEMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1O ZINC000183137851 275501932 /nfs/dbraw/zinc/50/19/32/275501932.db2.gz CSQRNTYRHVQZJO-OTYXRUKQSA-N 1 1 297.782 2.905 10 10 CFCEMO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)cc1 ZINC000164670923 520288165 /nfs/dbraw/zinc/28/81/65/520288165.db2.gz VOIZOVZGFGALLM-CZUORRHYSA-N 1 1 299.422 2.920 10 10 CFCEMO C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccc(F)c1[O-] ZINC000164928376 524104832 /nfs/dbraw/zinc/10/48/32/524104832.db2.gz AKKMRBSTWBPZRH-CYBMUJFWSA-N 1 1 280.387 2.885 10 10 CFCEMO C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cc(F)ccc1O ZINC000226565471 525082740 /nfs/dbraw/zinc/08/27/40/525082740.db2.gz DNKVFNYAYUKYEH-IUODEOHRSA-N 1 1 278.371 2.590 10 10 CFCEMO C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1cc(F)ccc1O ZINC000226565471 525082753 /nfs/dbraw/zinc/08/27/53/525082753.db2.gz DNKVFNYAYUKYEH-IUODEOHRSA-N 1 1 278.371 2.590 10 10 CFCEMO C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1cc(F)ccc1O ZINC000226565471 525082762 /nfs/dbraw/zinc/08/27/62/525082762.db2.gz DNKVFNYAYUKYEH-IUODEOHRSA-N 1 1 278.371 2.590 10 10 CFCEMO Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(F)c1O ZINC000158806079 650237563 /nfs/dbraw/zinc/23/75/63/650237563.db2.gz VDGBDDIWAGCGCP-MRVPVSSYSA-N 1 1 264.300 2.987 10 10 CFCEMO CN(C)/N=N/c1cccc(NC(=O)C[NH+]2CCCCC2)c1 ZINC000033895542 372501646 /nfs/dbraw/zinc/50/16/46/372501646.db2.gz FIKDPYLEYLORDN-ISLYRVAYSA-N 1 1 289.383 2.671 10 10 CFCEMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1N(C)C ZINC000147943069 378253239 /nfs/dbraw/zinc/25/32/39/378253239.db2.gz HJPJXSRDNBLFNK-GUYCJALGSA-N 1 1 284.403 2.927 10 10 CFCEMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@H]1N(C)C ZINC000147942888 378253305 /nfs/dbraw/zinc/25/33/05/378253305.db2.gz HJPJXSRDNBLFNK-DYVFJYSZSA-N 1 1 284.403 2.927 10 10 CFCEMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1O ZINC000179202254 380519410 /nfs/dbraw/zinc/51/94/10/380519410.db2.gz NIIPJYOZHMBWKD-SNPRPXQTSA-N 1 1 289.375 2.698 10 10 CFCEMO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(F)cc1O ZINC000185507072 381653752 /nfs/dbraw/zinc/65/37/52/381653752.db2.gz XFKUOCMQNVVERN-WDMOLILDSA-N 1 1 267.344 2.733 10 10 CFCEMO C[C@H]1CC(C[NH2+]Cc2cccc(F)c2O)C[C@H](C)O1 ZINC000281244276 385187315 /nfs/dbraw/zinc/18/73/15/385187315.db2.gz MCKVHMULDOYPMY-QWRGUYRKSA-N 1 1 267.344 2.825 10 10 CFCEMO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccc(N(C)C)cc1 ZINC000164683120 394369595 /nfs/dbraw/zinc/36/95/95/394369595.db2.gz WTBHCKAOTHRHJY-WFASDCNBSA-N 1 1 285.395 2.530 10 10 CFCEMO CC[N@@H+](CC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000022176458 171370783 /nfs/dbraw/zinc/37/07/83/171370783.db2.gz WPGLMWDMPBJYBG-UHFFFAOYSA-N 1 1 275.396 2.862 10 10 CFCEMO C[C@H](CN[C@H](C)c1cc(O)ccc1O)C[NH+]1CCCCC1 ZINC000038041707 174043173 /nfs/dbraw/zinc/04/31/73/174043173.db2.gz YCEDPAQGVKCYBX-ZIAGYGMSSA-N 1 1 292.423 2.870 10 10 CFCEMO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000090225477 260456769 /nfs/dbraw/zinc/45/67/69/260456769.db2.gz JZMXANLFLNSRSG-MLGOLLRUSA-N 1 1 299.422 2.838 10 10 CFCEMO