smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ncccc2o1 ZINC001085728253 782145121 /nfs/dbraw/zinc/14/51/21/782145121.db2.gz SPTPEVGVYWPICD-CYBMUJFWSA-N 1 1 299.374 2.550 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ncccc2o1 ZINC001085728253 782145128 /nfs/dbraw/zinc/14/51/28/782145128.db2.gz SPTPEVGVYWPICD-CYBMUJFWSA-N 1 1 299.374 2.550 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCC1(C)C ZINC001085775192 782155571 /nfs/dbraw/zinc/15/55/71/782155571.db2.gz ROXSMRJIGOTWEB-UONOGXRCSA-N 1 1 264.413 2.531 20 30 CFEDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000336224805 520529048 /nfs/dbraw/zinc/52/90/48/520529048.db2.gz FDUGQAPTSBMWPY-LBPRGKRZSA-N 1 1 264.394 2.603 20 30 CFEDMO CCC[N@@H+](CC)CCNc1nccc(C#N)c1Cl ZINC000218058943 521610335 /nfs/dbraw/zinc/61/03/35/521610335.db2.gz HSRGLCCOUZKPIA-UHFFFAOYSA-N 1 1 266.776 2.750 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC1(C)C ZINC001085773729 782157205 /nfs/dbraw/zinc/15/72/05/782157205.db2.gz LEYRHEOOVBOQHL-LSDHHAIUSA-N 1 1 278.440 2.922 20 30 CFEDMO Cc1c[nH]nc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425367800 533991490 /nfs/dbraw/zinc/99/14/90/533991490.db2.gz UTVUNJIBOGSXET-LBPRGKRZSA-N 1 1 254.337 2.783 20 30 CFEDMO Cc1c[nH]nc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425367800 533991499 /nfs/dbraw/zinc/99/14/99/533991499.db2.gz UTVUNJIBOGSXET-LBPRGKRZSA-N 1 1 254.337 2.783 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425502875 534047626 /nfs/dbraw/zinc/04/76/26/534047626.db2.gz RAMFJUJBFYVOPH-XJKSGUPXSA-N 1 1 281.363 2.548 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCc1cn[nH]c1 ZINC000425539241 534082725 /nfs/dbraw/zinc/08/27/25/534082725.db2.gz TVEHRZOMEWLDQE-LBPRGKRZSA-N 1 1 254.337 2.517 20 30 CFEDMO C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000329000290 534166494 /nfs/dbraw/zinc/16/64/94/534166494.db2.gz VOYIRVIAOAOFIM-GWCFXTLKSA-N 1 1 275.352 2.741 20 30 CFEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000114723853 517328627 /nfs/dbraw/zinc/32/86/27/517328627.db2.gz SCYQSCGTSMNRFN-SFHVURJKSA-N 1 1 284.403 2.928 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000279679188 518345043 /nfs/dbraw/zinc/34/50/43/518345043.db2.gz GJWWFIBTXQPXJS-HNNXBMFYSA-N 1 1 292.386 2.971 20 30 CFEDMO C#CCn1ccc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000279679188 518345053 /nfs/dbraw/zinc/34/50/53/518345053.db2.gz GJWWFIBTXQPXJS-HNNXBMFYSA-N 1 1 292.386 2.971 20 30 CFEDMO CC(C)[N@@H+](C)CCNc1cccc(Cl)c1C#N ZINC000054128158 519627247 /nfs/dbraw/zinc/62/72/47/519627247.db2.gz KXZVOINMVKDILN-UHFFFAOYSA-N 1 1 251.761 2.964 20 30 CFEDMO CC(C)[N@@H+](CCOc1cccc(C#N)c1)C1CCOCC1 ZINC000077323489 519650843 /nfs/dbraw/zinc/65/08/43/519650843.db2.gz JTDSYVGTTGPTBK-UHFFFAOYSA-N 1 1 288.391 2.826 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1CNCc1ccc(C#N)cc1F ZINC000353136277 519854555 /nfs/dbraw/zinc/85/45/55/519854555.db2.gz KMNSLYUOORRHSM-HNNXBMFYSA-N 1 1 275.371 2.661 20 30 CFEDMO CCCN1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC000353136277 519854556 /nfs/dbraw/zinc/85/45/56/519854556.db2.gz KMNSLYUOORRHSM-HNNXBMFYSA-N 1 1 275.371 2.661 20 30 CFEDMO CC1(C)C[N@H+](Cc2ccc(F)cc2C#N)[C@@H]2COC[C@@H]21 ZINC000336291949 520478872 /nfs/dbraw/zinc/47/88/72/520478872.db2.gz SLEWVKOOIWSHDS-LSDHHAIUSA-N 1 1 274.339 2.554 20 30 CFEDMO CC1(C)C[N@@H+](Cc2ccc(F)cc2C#N)[C@@H]2COC[C@@H]21 ZINC000336291949 520478880 /nfs/dbraw/zinc/47/88/80/520478880.db2.gz SLEWVKOOIWSHDS-LSDHHAIUSA-N 1 1 274.339 2.554 20 30 CFEDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000336235521 520559193 /nfs/dbraw/zinc/55/91/93/520559193.db2.gz ABWLRVGDJDSQRX-CQSZACIVSA-N 1 1 276.355 2.680 20 30 CFEDMO CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000361417029 520633598 /nfs/dbraw/zinc/63/35/98/520633598.db2.gz VRJKAXKXTZGUKV-ZDUSSCGKSA-N 1 1 296.317 2.505 20 30 CFEDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000361417029 520633610 /nfs/dbraw/zinc/63/36/10/520633610.db2.gz VRJKAXKXTZGUKV-ZDUSSCGKSA-N 1 1 296.317 2.505 20 30 CFEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000051060366 520660041 /nfs/dbraw/zinc/66/00/41/520660041.db2.gz NCUFCYLEKZPVSY-QGZVFWFLSA-N 1 1 299.418 2.687 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C1CC1 ZINC001085787194 782162439 /nfs/dbraw/zinc/16/24/39/782162439.db2.gz IPVQHEWBUJSRIB-AWEZNQCLSA-N 1 1 287.407 2.615 20 30 CFEDMO CCOc1ccc(C[N@@H+](C)Cc2cc(C#N)n(C)c2)cc1 ZINC000361496549 520962328 /nfs/dbraw/zinc/96/23/28/520962328.db2.gz MBCSCAWHEXRYHO-UHFFFAOYSA-N 1 1 283.375 2.927 20 30 CFEDMO CC[N@H+](CCOC)Cc1ccc(C#N)cc1Cl ZINC000162881721 521134906 /nfs/dbraw/zinc/13/49/06/521134906.db2.gz GASNJUBQIKBGAG-UHFFFAOYSA-N 1 1 252.745 2.680 20 30 CFEDMO CC[N@@H+](CCOC)Cc1ccc(C#N)cc1Cl ZINC000162881721 521134915 /nfs/dbraw/zinc/13/49/15/521134915.db2.gz GASNJUBQIKBGAG-UHFFFAOYSA-N 1 1 252.745 2.680 20 30 CFEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCOC1 ZINC000361586971 521298460 /nfs/dbraw/zinc/29/84/60/521298460.db2.gz BAIXMNIMVJFMKL-ZDUSSCGKSA-N 1 1 296.317 2.770 20 30 CFEDMO CC[N@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCCO1 ZINC000191974172 521300193 /nfs/dbraw/zinc/30/01/93/521300193.db2.gz GNWVVUQAGXMLSV-CQSZACIVSA-N 1 1 262.328 2.698 20 30 CFEDMO CCC[N@@H+](CCC(=O)OCC)Cc1ccc(C#N)cc1 ZINC000055058864 521630063 /nfs/dbraw/zinc/63/00/63/521630063.db2.gz MTCPZDZDKMZWDQ-UHFFFAOYSA-N 1 1 274.364 2.723 20 30 CFEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000336055923 521751056 /nfs/dbraw/zinc/75/10/56/521751056.db2.gz BQMOQXXJJGHCBY-OAHLLOKOSA-N 1 1 262.328 2.698 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CC ZINC001085787748 782162763 /nfs/dbraw/zinc/16/27/63/782162763.db2.gz VQPIYVYPIHBMOB-INIZCTEOSA-N 1 1 286.419 2.971 20 30 CFEDMO CC[C@@H](C)C[N@H+](C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000246548357 521972422 /nfs/dbraw/zinc/97/24/22/521972422.db2.gz TYWUQUBCZQJMLO-IUODEOHRSA-N 1 1 274.364 2.750 20 30 CFEDMO CC[C@@H](C)C[N@@H+](C)[C@@H](C(=O)OC)c1cccc(C#N)c1 ZINC000246548357 521972432 /nfs/dbraw/zinc/97/24/32/521972432.db2.gz TYWUQUBCZQJMLO-IUODEOHRSA-N 1 1 274.364 2.750 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+](CCO)Cc1ccccc1 ZINC000305737896 522031522 /nfs/dbraw/zinc/03/15/22/522031522.db2.gz QJWXHALPTSPVBZ-UHFFFAOYSA-N 1 1 296.370 2.561 20 30 CFEDMO COc1cc(C#N)ccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000305737896 522031530 /nfs/dbraw/zinc/03/15/30/522031530.db2.gz QJWXHALPTSPVBZ-UHFFFAOYSA-N 1 1 296.370 2.561 20 30 CFEDMO CCc1nccc([C@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)n1 ZINC000360793123 522581067 /nfs/dbraw/zinc/58/10/67/522581067.db2.gz YWNSGTLVYWOGLC-ZDUSSCGKSA-N 1 1 296.374 2.883 20 30 CFEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccccc2C#N)C1 ZINC000354100153 522629681 /nfs/dbraw/zinc/62/96/81/522629681.db2.gz JVJKWPCNORNVKJ-MRXNPFEDSA-N 1 1 283.419 2.722 20 30 CFEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccoc1 ZINC000048554418 522910338 /nfs/dbraw/zinc/91/03/38/522910338.db2.gz YUYOSLCBZFCFGI-UHFFFAOYSA-N 1 1 256.305 2.662 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](CO)c1ccccc1 ZINC000361713247 523207939 /nfs/dbraw/zinc/20/79/39/523207939.db2.gz FZVKQWRKVJAVAI-KRWDZBQOSA-N 1 1 284.334 2.863 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H](CC(N)=O)c1ccccc1 ZINC000361468182 523211611 /nfs/dbraw/zinc/21/16/11/523211611.db2.gz ILVGYXWHGHPTGS-QGZVFWFLSA-N 1 1 293.370 2.607 20 30 CFEDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000334946502 523438437 /nfs/dbraw/zinc/43/84/37/523438437.db2.gz COLOMKBGZRMESP-OAHLLOKOSA-N 1 1 286.379 2.506 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CC2CCC1CC2 ZINC000311477382 523519840 /nfs/dbraw/zinc/51/98/40/523519840.db2.gz BWNFETWCZDUFGP-UHFFFAOYSA-N 1 1 256.349 2.941 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@](C)(OC)C1 ZINC000230265299 523524563 /nfs/dbraw/zinc/52/45/63/523524563.db2.gz HZUNIQGYXJOIFF-INIZCTEOSA-N 1 1 274.364 2.568 20 30 CFEDMO CO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)CC[C@@H]1C ZINC000221125364 523736818 /nfs/dbraw/zinc/73/68/18/523736818.db2.gz FOBCYBYSQZQFOJ-SMDDNHRTSA-N 1 1 262.328 2.554 20 30 CFEDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc(C#N)c(F)c3)CC[C@@H]21 ZINC000192075699 523856937 /nfs/dbraw/zinc/85/69/37/523856937.db2.gz ZEBLKERRCLHFJI-RDJZCZTQSA-N 1 1 287.382 2.613 20 30 CFEDMO CC[C@H](C)[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000072601573 523923487 /nfs/dbraw/zinc/92/34/87/523923487.db2.gz ZFLNYDUSSHYRDY-NSHDSACASA-N 1 1 270.336 2.839 20 30 CFEDMO C[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)C[C@@H]1n1ccnc1 ZINC000334877517 524293908 /nfs/dbraw/zinc/29/39/08/524293908.db2.gz VXZBXLLMTUSICY-GUYCJALGSA-N 1 1 298.365 2.977 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C[C@@H]1n1ccnc1 ZINC000334877517 524293912 /nfs/dbraw/zinc/29/39/12/524293912.db2.gz VXZBXLLMTUSICY-GUYCJALGSA-N 1 1 298.365 2.977 20 30 CFEDMO Cc1cccc(C[N@H+](C)CC(=O)Nc2cccc(C#N)c2)c1 ZINC000314847807 524377445 /nfs/dbraw/zinc/37/74/45/524377445.db2.gz WICLRFKQKMFIDF-UHFFFAOYSA-N 1 1 293.370 2.937 20 30 CFEDMO Cc1cccc(C[N@@H+](C)CC(=O)Nc2cccc(C#N)c2)c1 ZINC000314847807 524377453 /nfs/dbraw/zinc/37/74/53/524377453.db2.gz WICLRFKQKMFIDF-UHFFFAOYSA-N 1 1 293.370 2.937 20 30 CFEDMO C[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)C[C@@H]1n1ccnc1 ZINC000334877515 524513944 /nfs/dbraw/zinc/51/39/44/524513944.db2.gz VXZBXLLMTUSICY-DYVFJYSZSA-N 1 1 298.365 2.977 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C[C@@H]1n1ccnc1 ZINC000334877515 524513952 /nfs/dbraw/zinc/51/39/52/524513952.db2.gz VXZBXLLMTUSICY-DYVFJYSZSA-N 1 1 298.365 2.977 20 30 CFEDMO C[C@H](CO)[N@H+](Cc1ccc(F)cc1C#N)CC1CCC1 ZINC000361485921 524544572 /nfs/dbraw/zinc/54/45/72/524544572.db2.gz PNIDOIJMVKWUSC-GFCCVEGCSA-N 1 1 276.355 2.680 20 30 CFEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC000192207179 524624205 /nfs/dbraw/zinc/62/42/05/524624205.db2.gz QMMJWXMUYYWDKO-MLGOLLRUSA-N 1 1 276.355 2.680 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@@H]1O ZINC000336400843 524989374 /nfs/dbraw/zinc/98/93/74/524989374.db2.gz USCRBTFIRNCETK-YGRLFVJLSA-N 1 1 298.308 2.780 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@@H]1O ZINC000336400843 524989380 /nfs/dbraw/zinc/98/93/80/524989380.db2.gz USCRBTFIRNCETK-YGRLFVJLSA-N 1 1 298.308 2.780 20 30 CFEDMO C[C@@H]1CN(Cc2ccc(C#N)c(F)c2)CC[N@H+](C2CC2)C1 ZINC000336256554 524990922 /nfs/dbraw/zinc/99/09/22/524990922.db2.gz FAUGLTSFMAAAPX-CYBMUJFWSA-N 1 1 287.382 2.613 20 30 CFEDMO Cc1nn(C)cc1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425364395 534832880 /nfs/dbraw/zinc/83/28/80/534832880.db2.gz GCKHMDYGXAPNBU-CYBMUJFWSA-N 1 1 268.364 2.793 20 30 CFEDMO C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000336278870 525282374 /nfs/dbraw/zinc/28/23/74/525282374.db2.gz BFYWXFKMOZXKAW-GNXNZQSNSA-N 1 1 278.783 2.945 20 30 CFEDMO Cc1c(C#N)cccc1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000337852366 525539205 /nfs/dbraw/zinc/53/92/05/525539205.db2.gz JVTZLVMWGLPZFT-CZUORRHYSA-N 1 1 297.402 2.566 20 30 CFEDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000336403494 525832140 /nfs/dbraw/zinc/83/21/40/525832140.db2.gz NKKIJNZLXZSHSV-NHYWBVRUSA-N 1 1 278.783 2.947 20 30 CFEDMO C[C@H](O)[C@H]1CCCC[N@H+]1CCCOc1cccc(C#N)c1 ZINC000305060709 525845406 /nfs/dbraw/zinc/84/54/06/525845406.db2.gz FVSHYPQTAVIWMN-WMLDXEAASA-N 1 1 288.391 2.562 20 30 CFEDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000230352496 525881712 /nfs/dbraw/zinc/88/17/12/525881712.db2.gz SZDSGPOMFFSAKO-OAHLLOKOSA-N 1 1 278.783 2.949 20 30 CFEDMO Cc1c[nH]nc1C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000336448899 526020626 /nfs/dbraw/zinc/02/06/26/526020626.db2.gz PWICWKUGTHDAEG-UHFFFAOYSA-N 1 1 278.359 2.879 20 30 CFEDMO Cc1c[nH]nc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000336448899 526020631 /nfs/dbraw/zinc/02/06/31/526020631.db2.gz PWICWKUGTHDAEG-UHFFFAOYSA-N 1 1 278.359 2.879 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CCCOC1 ZINC000245484155 526044302 /nfs/dbraw/zinc/04/43/02/526044302.db2.gz GVSOINGIBBKNKG-UKRRQHHQSA-N 1 1 258.365 2.978 20 30 CFEDMO Cc1ccc2c(c1)CC[N@H+](Cc1cc(C#N)n(C)c1)C2 ZINC000361725931 526151587 /nfs/dbraw/zinc/15/15/87/526151587.db2.gz ICNUDHDNICMPHK-UHFFFAOYSA-N 1 1 265.360 2.764 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)Cc1cncn1CC ZINC000417975989 526326839 /nfs/dbraw/zinc/32/68/39/526326839.db2.gz FFZQFBRMRFGQNE-UHFFFAOYSA-N 1 1 259.353 2.727 20 30 CFEDMO C=C(C)CC[N@@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000352048695 526438172 /nfs/dbraw/zinc/43/81/72/526438172.db2.gz NGCFDVZWZMBCRL-NSHDSACASA-N 1 1 253.346 2.565 20 30 CFEDMO C=C(C)CC[N@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000352048695 526438178 /nfs/dbraw/zinc/43/81/78/526438178.db2.gz NGCFDVZWZMBCRL-NSHDSACASA-N 1 1 253.346 2.565 20 30 CFEDMO C=C(C)CC[N@@H+](CCC1CCCCC1)CC(N)=O ZINC000352050947 526441057 /nfs/dbraw/zinc/44/10/57/526441057.db2.gz WXHKHNLHRMNTQV-UHFFFAOYSA-N 1 1 252.402 2.710 20 30 CFEDMO C=C(C)CC[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000352621681 526456184 /nfs/dbraw/zinc/45/61/84/526456184.db2.gz SWCPSCODRMRIRO-NSHDSACASA-N 1 1 253.346 2.611 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](C(C)(C)C)C[C@@H]2C)C1=O ZINC000347599803 526511903 /nfs/dbraw/zinc/51/19/03/526511903.db2.gz MERBXLULSXXMRK-KKUMJFAQSA-N 1 1 278.440 2.920 20 30 CFEDMO N#Cc1c(F)cccc1C[NH+]1CCC(CF)CC1 ZINC000336261758 526523964 /nfs/dbraw/zinc/52/39/64/526523964.db2.gz NTNYZIOPIYIJCD-UHFFFAOYSA-N 1 1 250.292 2.879 20 30 CFEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@@H]1CCCOC1 ZINC000352792986 526558446 /nfs/dbraw/zinc/55/84/46/526558446.db2.gz OGSYXXPLSNNCSM-AWEZNQCLSA-N 1 1 279.380 2.577 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246454398 526559401 /nfs/dbraw/zinc/55/94/01/526559401.db2.gz CAMXUHMQNQJAMU-BBRMVZONSA-N 1 1 274.339 2.698 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246454398 526559406 /nfs/dbraw/zinc/55/94/06/526559406.db2.gz CAMXUHMQNQJAMU-BBRMVZONSA-N 1 1 274.339 2.698 20 30 CFEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(CCCO)CC1 ZINC000360089691 526559518 /nfs/dbraw/zinc/55/95/18/526559518.db2.gz SDXFHTKDIUDJJR-UHFFFAOYSA-N 1 1 276.355 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C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1occc1Cl ZINC001024636736 618428889 /nfs/dbraw/zinc/42/88/89/618428889.db2.gz WWCGTQAVRXSPAO-GFCCVEGCSA-N 1 1 294.782 2.541 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001024641900 618430757 /nfs/dbraw/zinc/43/07/57/618430757.db2.gz OGQDFDWUNGXWQS-CVEARBPZSA-N 1 1 290.451 2.807 20 30 CFEDMO CC(C)CCC(N)=[NH+]OCC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000177480199 618432957 /nfs/dbraw/zinc/43/29/57/618432957.db2.gz OSHJGXNSYXAJSA-LBPRGKRZSA-N 1 1 295.427 2.501 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024661609 618434565 /nfs/dbraw/zinc/43/45/65/618434565.db2.gz JTDKOPAKLCBAAO-BRWVUGGUSA-N 1 1 290.451 2.663 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001024663034 618435860 /nfs/dbraw/zinc/43/58/60/618435860.db2.gz DMTKDKTWUGAYRP-RBSFLKMASA-N 1 1 264.413 2.579 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001024675432 618438422 /nfs/dbraw/zinc/43/84/22/618438422.db2.gz LNMYCKFMGPOPKU-SFHVURJKSA-N 1 1 298.430 2.558 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1Cc2ccccc2C1 ZINC001024675428 618438551 /nfs/dbraw/zinc/43/85/51/618438551.db2.gz LNMYCKFMGPOPKU-GOSISDBHSA-N 1 1 298.430 2.558 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccncc1Cl ZINC001024678454 618439130 /nfs/dbraw/zinc/43/91/30/618439130.db2.gz PTSHGMLKOACPMJ-LBPRGKRZSA-N 1 1 293.798 2.505 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001024683107 618440622 /nfs/dbraw/zinc/44/06/22/618440622.db2.gz MWGKMCPWOFAYOY-OAHLLOKOSA-N 1 1 289.423 2.792 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001024701879 618448715 /nfs/dbraw/zinc/44/87/15/618448715.db2.gz VQZLPCCYVXGSCD-HRCADAONSA-N 1 1 276.424 2.579 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001024705085 618448980 /nfs/dbraw/zinc/44/89/80/618448980.db2.gz WNUIGGOPBXSBLT-YESZJQIVSA-N 1 1 290.451 2.969 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001024705243 618449058 /nfs/dbraw/zinc/44/90/58/618449058.db2.gz YHGPFRVKLTVLTI-HRCADAONSA-N 1 1 276.424 2.579 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001006911372 618450721 /nfs/dbraw/zinc/45/07/21/618450721.db2.gz CZYJLBQIIKCQLV-INIZCTEOSA-N 1 1 276.424 2.561 20 30 CFEDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1ncc(C#N)c2ccsc21 ZINC000895191362 618456965 /nfs/dbraw/zinc/45/69/65/618456965.db2.gz ORWHJGZQYCPFMC-QWHCGFSZSA-N 1 1 298.415 2.841 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001024774122 618467151 /nfs/dbraw/zinc/46/71/51/618467151.db2.gz NONYLZWHPOTXKR-KRWDZBQOSA-N 1 1 284.403 2.603 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1sc(C)nc1C ZINC001024793185 618470545 /nfs/dbraw/zinc/47/05/45/618470545.db2.gz SAWBSOYXJDEOQD-CYBMUJFWSA-N 1 1 293.436 2.530 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sc(C)nc1C ZINC001024793185 618470546 /nfs/dbraw/zinc/47/05/46/618470546.db2.gz SAWBSOYXJDEOQD-CYBMUJFWSA-N 1 1 293.436 2.530 20 30 CFEDMO C[NH+](C)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000727305902 618489474 /nfs/dbraw/zinc/48/94/74/618489474.db2.gz YIKBLBUPXDHMIK-QGZVFWFLSA-N 1 1 293.370 2.842 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000895391441 618563936 /nfs/dbraw/zinc/56/39/36/618563936.db2.gz YZNXBSSIEWMTPZ-CYBMUJFWSA-N 1 1 259.349 2.554 20 30 CFEDMO Cc1cc(C)c(C#N)c(NCc2cc(N(C)C)cc[nH+]2)n1 ZINC000895470634 618601901 /nfs/dbraw/zinc/60/19/01/618601901.db2.gz XKJJYZXEMLEPGU-UHFFFAOYSA-N 1 1 281.363 2.643 20 30 CFEDMO Cc1cc(C#N)nc(N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000892693052 618713887 /nfs/dbraw/zinc/71/38/87/618713887.db2.gz ANOAQAHQLCUHQC-HNNXBMFYSA-N 1 1 272.396 2.572 20 30 CFEDMO CC[N@@H+](C)C[C@H]1CCN(c2ccc(C#N)cc2Cl)C1 ZINC000892731677 618734617 /nfs/dbraw/zinc/73/46/17/618734617.db2.gz SCIVWJCPMJMILV-CYBMUJFWSA-N 1 1 277.799 2.990 20 30 CFEDMO C=CCCCN(CC)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000892831960 618753609 /nfs/dbraw/zinc/75/36/09/618753609.db2.gz JVSYNJFRUNRRJT-UHFFFAOYSA-N 1 1 281.444 2.859 20 30 CFEDMO C=C1CCC(C(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000892963956 618784543 /nfs/dbraw/zinc/78/45/43/618784543.db2.gz XVZPSNFFNJPMDF-LSDHHAIUSA-N 1 1 263.381 2.903 20 30 CFEDMO C=CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccncc1 ZINC000892972730 618787897 /nfs/dbraw/zinc/78/78/97/618787897.db2.gz LFOVUTOKXLULJX-HMQMGEFJSA-N 1 1 271.408 2.914 20 30 CFEDMO C=CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccncc1 ZINC000892972730 618787899 /nfs/dbraw/zinc/78/78/99/618787899.db2.gz LFOVUTOKXLULJX-HMQMGEFJSA-N 1 1 271.408 2.914 20 30 CFEDMO C=CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccncc1 ZINC000892972730 618787903 /nfs/dbraw/zinc/78/79/03/618787903.db2.gz LFOVUTOKXLULJX-HMQMGEFJSA-N 1 1 271.408 2.914 20 30 CFEDMO C[C@@H]1CC(N=Nc2ccc(Cl)cn2)CC[N@H+]1C ZINC000853438077 618842291 /nfs/dbraw/zinc/84/22/91/618842291.db2.gz ZEBVWNJIMSKSHF-SECBINFHSA-N 1 1 252.749 2.617 20 30 CFEDMO COC[C@@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000930666798 618914532 /nfs/dbraw/zinc/91/45/32/618914532.db2.gz XGYRTXUJJAVDLW-NRXISQOPSA-N 1 1 250.386 2.817 20 30 CFEDMO N#Cc1ccc(OCCC[N@H+]2CCCSCC2)cc1 ZINC000048896124 618949839 /nfs/dbraw/zinc/94/98/39/618949839.db2.gz ZJXCSVVIFXKHFF-UHFFFAOYSA-N 1 1 276.405 2.766 20 30 CFEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001008623459 618954205 /nfs/dbraw/zinc/95/42/05/618954205.db2.gz SYWCTWQIJSAQAB-CQSZACIVSA-N 1 1 297.402 2.938 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001009701177 619015645 /nfs/dbraw/zinc/01/56/45/619015645.db2.gz DOWJPOGMGIZRNZ-LLVKDONJSA-N 1 1 282.384 2.658 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001009701177 619015647 /nfs/dbraw/zinc/01/56/47/619015647.db2.gz DOWJPOGMGIZRNZ-LLVKDONJSA-N 1 1 282.384 2.658 20 30 CFEDMO CO[C@@H]1CCC[N@@H+](Cc2csc(C#N)c2)CC1 ZINC000893510502 619028046 /nfs/dbraw/zinc/02/80/46/619028046.db2.gz HXXJFTKYZUHYEM-GFCCVEGCSA-N 1 1 250.367 2.621 20 30 CFEDMO C#CC[N@H+]1CCC[C@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001009779686 619038140 /nfs/dbraw/zinc/03/81/40/619038140.db2.gz PZYKFVWRRKTLOX-INIZCTEOSA-N 1 1 290.451 2.807 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001009779686 619038143 /nfs/dbraw/zinc/03/81/43/619038143.db2.gz PZYKFVWRRKTLOX-INIZCTEOSA-N 1 1 290.451 2.807 20 30 CFEDMO C#CCCOc1ccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1 ZINC000093837301 619060968 /nfs/dbraw/zinc/06/09/68/619060968.db2.gz SKOUOGPLXACPFY-KRWDZBQOSA-N 1 1 289.419 2.928 20 30 CFEDMO Cn1cc(C[NH2+]CC(C)(C)C#N)c(C2CCCC2)n1 ZINC000893550566 619066637 /nfs/dbraw/zinc/06/66/37/619066637.db2.gz FCHNQXLXUJQEOP-UHFFFAOYSA-N 1 1 260.385 2.717 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(=O)OC)c(C)c1 ZINC000893607567 619091051 /nfs/dbraw/zinc/09/10/51/619091051.db2.gz XYDSLMIMXOERCP-ZDUSSCGKSA-N 1 1 260.337 2.564 20 30 CFEDMO C[C@H](C#N)C(=O)N1CCC[N@@H+](CC2CCCCCC2)CC1 ZINC000980850395 619106999 /nfs/dbraw/zinc/10/69/99/619106999.db2.gz TWDDBDLJNIHDDM-OAHLLOKOSA-N 1 1 291.439 2.651 20 30 CFEDMO C[C@@H](C#N)C(=O)N1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC000980849781 619107012 /nfs/dbraw/zinc/10/70/12/619107012.db2.gz NRCYLARYHWTPJD-HNNXBMFYSA-N 1 1 291.439 2.651 20 30 CFEDMO Cc1ccccc1[C@H](C)[N@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000980848455 619107183 /nfs/dbraw/zinc/10/71/83/619107183.db2.gz XLMFOZLEWXXHAB-CVEARBPZSA-N 1 1 299.418 2.750 20 30 CFEDMO C[C@H](N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(OCC#N)cc1 ZINC000317375844 619113596 /nfs/dbraw/zinc/11/35/96/619113596.db2.gz HSRHJDDKUCZYNH-USXIJHARSA-N 1 1 299.418 2.866 20 30 CFEDMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OCC#N)cc1 ZINC000317375844 619113598 /nfs/dbraw/zinc/11/35/98/619113598.db2.gz HSRHJDDKUCZYNH-USXIJHARSA-N 1 1 299.418 2.866 20 30 CFEDMO C[C@H](N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(OCC#N)cc1 ZINC000317375847 619113638 /nfs/dbraw/zinc/11/36/38/619113638.db2.gz HSRHJDDKUCZYNH-XIRDDKMYSA-N 1 1 299.418 2.866 20 30 CFEDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(OCC#N)cc1 ZINC000317375847 619113639 /nfs/dbraw/zinc/11/36/39/619113639.db2.gz HSRHJDDKUCZYNH-XIRDDKMYSA-N 1 1 299.418 2.866 20 30 CFEDMO N#Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(c3ccccc3)C2)o1 ZINC000931923562 619158992 /nfs/dbraw/zinc/15/89/92/619158992.db2.gz PPUYLVOLXFOZDW-PBHICJAKSA-N 1 1 264.328 2.925 20 30 CFEDMO C=CCn1c(C)nn(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1=S ZINC000841692570 619160794 /nfs/dbraw/zinc/16/07/94/619160794.db2.gz RTOGSXLLRBIYIB-SDDRHHMPSA-N 1 1 280.441 2.842 20 30 CFEDMO C=CCn1c(C)nn(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1=S ZINC000841692570 619160795 /nfs/dbraw/zinc/16/07/95/619160795.db2.gz RTOGSXLLRBIYIB-SDDRHHMPSA-N 1 1 280.441 2.842 20 30 CFEDMO C=CCn1c(C)nn(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1=S ZINC000841692571 619160937 /nfs/dbraw/zinc/16/09/37/619160937.db2.gz RTOGSXLLRBIYIB-SRVKXCTJSA-N 1 1 280.441 2.842 20 30 CFEDMO C=CCn1c(C)nn(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1=S ZINC000841692571 619160940 /nfs/dbraw/zinc/16/09/40/619160940.db2.gz RTOGSXLLRBIYIB-SRVKXCTJSA-N 1 1 280.441 2.842 20 30 CFEDMO Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)cc1C#N ZINC000925838316 619169721 /nfs/dbraw/zinc/16/97/21/619169721.db2.gz LPKWRPXBTXAQSM-HNAYVOBHSA-N 1 1 293.414 2.915 20 30 CFEDMO C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(C#N)c(F)c1 ZINC000925845986 619178093 /nfs/dbraw/zinc/17/80/93/619178093.db2.gz MXHXNLLVNGNXBW-CSMYWGQOSA-N 1 1 287.382 2.880 20 30 CFEDMO N#Cc1sc(NC[C@H]2CC[N@H+](C3CC3)C2)nc1Cl ZINC000236059517 619195247 /nfs/dbraw/zinc/19/52/47/619195247.db2.gz NELYAAXVFVIZLE-MRVPVSSYSA-N 1 1 282.800 2.564 20 30 CFEDMO Cc1cc(C#N)nc(N(C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000893847814 619228715 /nfs/dbraw/zinc/22/87/15/619228715.db2.gz JVFICKQWMZCPLI-UHFFFAOYSA-N 1 1 298.390 2.813 20 30 CFEDMO CC(C)C[N@H+](CCC#N)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893879711 619234367 /nfs/dbraw/zinc/23/43/67/619234367.db2.gz DHOSVDZYBJEEAI-UHFFFAOYSA-N 1 1 272.352 2.640 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000893879711 619234370 /nfs/dbraw/zinc/23/43/70/619234370.db2.gz DHOSVDZYBJEEAI-UHFFFAOYSA-N 1 1 272.352 2.640 20 30 CFEDMO C#CCOc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2CC)c1 ZINC000108290197 619280668 /nfs/dbraw/zinc/28/06/68/619280668.db2.gz IRECAEORSXODRV-INIZCTEOSA-N 1 1 286.375 2.512 20 30 CFEDMO Cc1ccc2nc(CNC(=[NH2+])NC3CCCCCC3)[nH]c2c1 ZINC000261965118 619355050 /nfs/dbraw/zinc/35/50/50/619355050.db2.gz ATLHDZUIOFPNOP-UHFFFAOYSA-N 1 1 299.422 2.998 20 30 CFEDMO C#C[C@@H](C)[NH2+]Cc1nc(-c2cccc(OC)c2)cs1 ZINC000894384770 619361824 /nfs/dbraw/zinc/36/18/24/619361824.db2.gz VGIMWHNOFKEXFM-LLVKDONJSA-N 1 1 272.373 2.930 20 30 CFEDMO CCc1c[nH]c2nc[nH+]c(N3CCC[C@H](CC#N)C3)c12 ZINC000894487566 619399666 /nfs/dbraw/zinc/39/96/66/619399666.db2.gz UWAKWFDEZADKQU-LLVKDONJSA-N 1 1 269.352 2.650 20 30 CFEDMO C=CC[N@@H+](CCOC)Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC000894549210 619417133 /nfs/dbraw/zinc/41/71/33/619417133.db2.gz ZNFWVPHHILZTBL-UHFFFAOYSA-N 1 1 294.395 2.559 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC000894549210 619417135 /nfs/dbraw/zinc/41/71/35/619417135.db2.gz ZNFWVPHHILZTBL-UHFFFAOYSA-N 1 1 294.395 2.559 20 30 CFEDMO C=CCC[C@H](CO)[NH2+]Cc1csc(C(F)(F)F)n1 ZINC000894770325 619459427 /nfs/dbraw/zinc/45/94/27/619459427.db2.gz UNWDJXZYDBXNPW-MRVPVSSYSA-N 1 1 280.315 2.579 20 30 CFEDMO CC[N@H+](Cc1c(O)ccc2ccncc21)C[C@@H](C)C#N ZINC000726960956 619511718 /nfs/dbraw/zinc/51/17/18/619511718.db2.gz IMTFNPVLDFOLEW-LBPRGKRZSA-N 1 1 269.348 2.922 20 30 CFEDMO C=CCCCN(CC)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000894924117 619514082 /nfs/dbraw/zinc/51/40/82/619514082.db2.gz NELQGJPJBQHNKM-AWEZNQCLSA-N 1 1 269.433 2.713 20 30 CFEDMO Cn1cc(C[NH2+]CC2(C#N)CCC2)c(C2CCCC2)n1 ZINC000894967856 619518754 /nfs/dbraw/zinc/51/87/54/619518754.db2.gz XNRJWQLUERXXQQ-UHFFFAOYSA-N 1 1 272.396 2.861 20 30 CFEDMO C[N@@H+](Cc1csc(C#N)c1)C[C@@](C)(O)c1ccccc1 ZINC000895012723 619526169 /nfs/dbraw/zinc/52/61/69/619526169.db2.gz NYAPKUVQOLQMSH-MRXNPFEDSA-N 1 1 286.400 2.959 20 30 CFEDMO C[N@@H+](Cc1csc(C#N)c1)C[C@](C)(O)c1ccccc1 ZINC000895012722 619526484 /nfs/dbraw/zinc/52/64/84/619526484.db2.gz 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/nfs/dbraw/zinc/44/40/11/620444011.db2.gz MOKUHXXLEXUVRC-MRXNPFEDSA-N 1 1 286.375 2.783 20 30 CFEDMO N#Cc1c(F)cccc1C[NH2+]CCOC1CCSCC1 ZINC000898441838 620465107 /nfs/dbraw/zinc/46/51/07/620465107.db2.gz YIVCHNJATUYGLP-UHFFFAOYSA-N 1 1 294.395 2.699 20 30 CFEDMO C=CC(C)(C)[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000898460570 620466888 /nfs/dbraw/zinc/46/68/88/620466888.db2.gz OQHBQACROUIZEV-UHFFFAOYSA-N 1 1 256.353 2.630 20 30 CFEDMO C=C1CCC(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000898579224 620476786 /nfs/dbraw/zinc/47/67/86/620476786.db2.gz PJLFCAUZGXREOE-AWEZNQCLSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000898669554 620487201 /nfs/dbraw/zinc/48/72/01/620487201.db2.gz QQCZYLZYNIOMOK-ZIAGYGMSSA-N 1 1 264.413 2.674 20 30 CFEDMO C=C1CN(C(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)C1 ZINC000898703931 620490057 /nfs/dbraw/zinc/49/00/57/620490057.db2.gz ZXBBDGOBNMLRQM-MRXNPFEDSA-N 1 1 270.376 2.508 20 30 CFEDMO C=CCCC(C)(C)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000898989005 620513098 /nfs/dbraw/zinc/51/30/98/620513098.db2.gz QBLGWIJDAOQCNF-GFCCVEGCSA-N 1 1 252.402 2.720 20 30 CFEDMO C[C@@H]1Cc2[nH+]cn(Cc3cc(C#N)ccn3)c2C[C@H]1C ZINC000901567657 620859593 /nfs/dbraw/zinc/85/95/93/620859593.db2.gz DPSVRWIAWAHYOM-VXGBXAGGSA-N 1 1 266.348 2.569 20 30 CFEDMO C[C@@H]1Cc2c([nH+]cn2Cc2cc(C#N)ccn2)C[C@@H]1C ZINC000901567655 620859631 /nfs/dbraw/zinc/85/96/31/620859631.db2.gz DPSVRWIAWAHYOM-NWDGAFQWSA-N 1 1 266.348 2.569 20 30 CFEDMO C=CC[C@H]([NH2+]CC[C@H]1CCC(F)(F)C1)C(=O)OC ZINC000901671867 620889194 /nfs/dbraw/zinc/88/91/94/620889194.db2.gz FVRSZINZNHVHHT-MNOVXSKESA-N 1 1 261.312 2.519 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3C=CC=CC=C3)CCC[C@H]12 ZINC000990934772 620951452 /nfs/dbraw/zinc/95/14/52/620951452.db2.gz KIHLOTGJVKZNPV-PKOBYXMFSA-N 1 1 298.430 2.974 20 30 CFEDMO C=C(C)C[N@H+](C)CN1C[C@H](c2ccc(F)cc2)CC1=O ZINC000902212796 620994053 /nfs/dbraw/zinc/99/40/53/620994053.db2.gz KPHUMHPDTHKHEZ-CQSZACIVSA-N 1 1 276.355 2.607 20 30 CFEDMO C=C(C)C[N@@H+](C)CN1C[C@H](c2ccc(F)cc2)CC1=O ZINC000902212796 620994054 /nfs/dbraw/zinc/99/40/54/620994054.db2.gz KPHUMHPDTHKHEZ-CQSZACIVSA-N 1 1 276.355 2.607 20 30 CFEDMO COc1ccc(C(N)=[NH+]OCCCC(C)(F)F)cc1 ZINC000902214150 620994409 /nfs/dbraw/zinc/99/44/09/620994409.db2.gz WFSJAVSWIVTZLC-UHFFFAOYSA-N 1 1 272.295 2.768 20 30 CFEDMO N#Cc1cc(Cl)cc(CO[NH+]=C(N)C2CCOCC2)c1 ZINC000902253301 621006046 /nfs/dbraw/zinc/00/60/46/621006046.db2.gz PMNNQUHEERPKPK-UHFFFAOYSA-N 1 1 293.754 2.637 20 30 CFEDMO CC(C)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)CC1CC1 ZINC000042582919 621013751 /nfs/dbraw/zinc/01/37/51/621013751.db2.gz BQQHGFVIHAVGDV-MRXNPFEDSA-N 1 1 258.365 2.712 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1Cc2ccccc2C1=O ZINC000902318974 621023579 /nfs/dbraw/zinc/02/35/79/621023579.db2.gz KHJQSPPASPTWOU-GASCZTMLSA-N 1 1 268.360 2.783 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000801912753 621034807 /nfs/dbraw/zinc/03/48/07/621034807.db2.gz BSWCCXQNXWUZDR-CJNGLKHVSA-N 1 1 276.355 2.761 20 30 CFEDMO CC1(C)C[NH2+]CC[C@H](NCc2ccc(CC#N)cc2)C1 ZINC000902392750 621063461 /nfs/dbraw/zinc/06/34/61/621063461.db2.gz LMTAKDAJRALYPE-INIZCTEOSA-N 1 1 271.408 2.620 20 30 CFEDMO C=CCc1cc(C[N@@H+]2CC[C@H](OCC)C2)c(O)c(OC)c1 ZINC000902527688 621118257 /nfs/dbraw/zinc/11/82/57/621118257.db2.gz FYYOEDOZWXNIHS-HNNXBMFYSA-N 1 1 291.391 2.740 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000801919947 621126765 /nfs/dbraw/zinc/12/67/65/621126765.db2.gz PMUQZZJOXFGJTR-CHWSQXEVSA-N 1 1 262.328 2.544 20 30 CFEDMO C=CCCC[N@H+](CC)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000902669061 621148659 /nfs/dbraw/zinc/14/86/59/621148659.db2.gz ISVKOVZQEMXOTP-HNNXBMFYSA-N 1 1 277.364 2.606 20 30 CFEDMO C=CCCC[N@H+](CC)CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000902668442 621148685 /nfs/dbraw/zinc/14/86/85/621148685.db2.gz ARYUZAVOCDRZRU-CVEARBPZSA-N 1 1 276.424 2.879 20 30 CFEDMO COc1ccc(OC)c(C[NH2+][C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902732257 621160515 /nfs/dbraw/zinc/16/05/15/621160515.db2.gz ZTJSOPZEXWHWAA-LBPRGKRZSA-N 1 1 297.358 2.821 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000801933799 621168916 /nfs/dbraw/zinc/16/89/16/621168916.db2.gz GELZIULNLXHCQY-QWHCGFSZSA-N 1 1 294.782 2.722 20 30 CFEDMO CCc1cc(C#N)c(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)s1 ZINC000902773952 621170761 /nfs/dbraw/zinc/17/07/61/621170761.db2.gz OOBAJMWEIQSLBM-ZDUSSCGKSA-N 1 1 291.420 2.993 20 30 CFEDMO CCc1cc(C#N)c(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)s1 ZINC000902773952 621170762 /nfs/dbraw/zinc/17/07/62/621170762.db2.gz OOBAJMWEIQSLBM-ZDUSSCGKSA-N 1 1 291.420 2.993 20 30 CFEDMO Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902804087 621174443 /nfs/dbraw/zinc/17/44/43/621174443.db2.gz MUOVXGZPLYZCIR-ZJUUUORDSA-N 1 1 270.336 2.970 20 30 CFEDMO CSc1cc(C[NH2+][C@H](C)c2cc(C#N)ccn2)ccn1 ZINC000902849118 621190611 /nfs/dbraw/zinc/19/06/11/621190611.db2.gz GHDVVSZPJLXANB-LLVKDONJSA-N 1 1 284.388 2.921 20 30 CFEDMO COC[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000902867057 621191898 /nfs/dbraw/zinc/19/18/98/621191898.db2.gz WADLRUUWIYDLSF-GUYCJALGSA-N 1 1 281.359 2.992 20 30 CFEDMO Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902874701 621194638 /nfs/dbraw/zinc/19/46/38/621194638.db2.gz HPUCYUMDEZSLGD-SMDDNHRTSA-N 1 1 287.388 2.707 20 30 CFEDMO Cc1ccc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)nc1C ZINC000903016761 621222228 /nfs/dbraw/zinc/22/22/28/621222228.db2.gz HFZOOMAUJDPVKR-ZDUSSCGKSA-N 1 1 266.348 2.816 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@H](C)c2cn(CCC)nn2)cc1 ZINC000903011298 621228623 /nfs/dbraw/zinc/22/86/23/621228623.db2.gz WLZCJVXWUDSAEW-CQSZACIVSA-N 1 1 298.390 2.551 20 30 CFEDMO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)cn1 ZINC000903013009 621229344 /nfs/dbraw/zinc/22/93/44/621229344.db2.gz WUSZOQKIQUBHDI-NEPJUHHUSA-N 1 1 269.352 2.581 20 30 CFEDMO COc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1O ZINC000903034735 621231016 /nfs/dbraw/zinc/23/10/16/621231016.db2.gz CBMFKZYWKVCOPL-NSHDSACASA-N 1 1 260.337 2.745 20 30 CFEDMO C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1cc(C#N)ccn1 ZINC000903025254 621234323 /nfs/dbraw/zinc/23/43/23/621234323.db2.gz SCGQEHSDIBRLJQ-YVEFUNNKSA-N 1 1 279.343 2.875 20 30 CFEDMO COCCc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)C#N)s1 ZINC000903099831 621252529 /nfs/dbraw/zinc/25/25/29/621252529.db2.gz AYULGMIIMHWGEM-SNVBAGLBSA-N 1 1 281.425 2.841 20 30 CFEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc([S@@](C)=O)cc1 ZINC000903100728 621252765 /nfs/dbraw/zinc/25/27/65/621252765.db2.gz WINUUDLHDGJVPK-BBATYDOGSA-N 1 1 264.394 2.624 20 30 CFEDMO CC(=O)N1CC[C@@H]([NH2+]CC(C)(C)C#N)c2ccccc21 ZINC000903101804 621253151 /nfs/dbraw/zinc/25/31/51/621253151.db2.gz MWEPFVOOPNTARS-CQSZACIVSA-N 1 1 271.364 2.624 20 30 CFEDMO COCCc1nc(C)c([C@H](C)[NH2+]CC2(C#N)CC2)s1 ZINC000903105919 621254982 /nfs/dbraw/zinc/25/49/82/621254982.db2.gz ITFAJMAWTAECOP-JTQLQIEISA-N 1 1 279.409 2.595 20 30 CFEDMO C[N@H+]1CC[C@H](NCC2(C#N)CCCC2)[C@H]2CCC[C@H]21 ZINC000903108543 621255943 /nfs/dbraw/zinc/25/59/43/621255943.db2.gz CTFJKZBXDAGORT-QLFBSQMISA-N 1 1 261.413 2.533 20 30 CFEDMO CC(C)[C@H]([NH2+]CC1(C#N)CCCC1)c1cnn(C)c1 ZINC000903109582 621256727 /nfs/dbraw/zinc/25/67/27/621256727.db2.gz RXSWHIDNFKCYKA-AWEZNQCLSA-N 1 1 260.385 2.791 20 30 CFEDMO C=CCC[C@H]([NH2+]Cc1cnc2n1CCOC2)c1ccco1 ZINC000903420106 621377899 /nfs/dbraw/zinc/37/78/99/621377899.db2.gz LVIYSUSTQBMPAQ-AWEZNQCLSA-N 1 1 287.363 2.803 20 30 CFEDMO CC(C)(C)[C@H](CN)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000903455345 621388170 /nfs/dbraw/zinc/38/81/70/621388170.db2.gz UZFBTQVIMZIJKR-ZDUSSCGKSA-N 1 1 265.788 2.675 20 30 CFEDMO C=CCN(Cc1cccs1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718416 621425426 /nfs/dbraw/zinc/42/54/26/621425426.db2.gz MEMMRSGPAYQAET-GOEBONIOSA-N 1 1 292.448 2.505 20 30 CFEDMO CCC[C@@H]1CNCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903744907 621435756 /nfs/dbraw/zinc/43/57/56/621435756.db2.gz YWIRPQCTHQMCLX-OAHLLOKOSA-N 1 1 263.429 2.924 20 30 CFEDMO CCC[C@@H]1CNCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903744907 621435758 /nfs/dbraw/zinc/43/57/58/621435758.db2.gz YWIRPQCTHQMCLX-OAHLLOKOSA-N 1 1 263.429 2.924 20 30 CFEDMO C[C@@H]1CC[N@H+](CCCCC2(C#N)CCC2)[C@H](CN)C1 ZINC000903766731 621437319 /nfs/dbraw/zinc/43/73/19/621437319.db2.gz RKRVLIIQNFAQSC-CABCVRRESA-N 1 1 263.429 2.910 20 30 CFEDMO C[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)[C@H](CN)C1 ZINC000903766731 621437321 /nfs/dbraw/zinc/43/73/21/621437321.db2.gz RKRVLIIQNFAQSC-CABCVRRESA-N 1 1 263.429 2.910 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(F)cc1C#N ZINC000903794787 621439697 /nfs/dbraw/zinc/43/96/97/621439697.db2.gz DWINEFIHLZNMOV-AWEZNQCLSA-N 1 1 275.327 2.509 20 30 CFEDMO N#CCc1cccc2c1CCN(C[C@H]1CCCC[NH2+]C1)C2 ZINC000903776307 621440028 /nfs/dbraw/zinc/44/00/28/621440028.db2.gz SAYBHWSBCXEDDC-HNNXBMFYSA-N 1 1 283.419 2.500 20 30 CFEDMO N#CC1(CCCC[N@@H+]2CC[C@@H]3CC[C@@]32CN)CCC1 ZINC000903863162 621459172 /nfs/dbraw/zinc/45/91/72/621459172.db2.gz JPHZQFFEWDCMFD-GOEBONIOSA-N 1 1 261.413 2.664 20 30 CFEDMO N#CC1(CCCCN2CC[C@@H]3CC[C@@]32C[NH3+])CCC1 ZINC000903863162 621459177 /nfs/dbraw/zinc/45/91/77/621459177.db2.gz JPHZQFFEWDCMFD-GOEBONIOSA-N 1 1 261.413 2.664 20 30 CFEDMO CC(C)C[C@H](N)C[NH2+]C(C)(C)Cc1ccc(C#N)cc1 ZINC000903987356 621499507 /nfs/dbraw/zinc/49/95/07/621499507.db2.gz CZDNGMFIWUJNKL-INIZCTEOSA-N 1 1 273.424 2.842 20 30 CFEDMO C=CCC(C)(C)c1noc([C@H]([NH3+])CCSC)n1 ZINC000904120969 621527351 /nfs/dbraw/zinc/52/73/51/621527351.db2.gz HFRLQWVVYNAVPK-SECBINFHSA-N 1 1 255.387 2.676 20 30 CFEDMO C#CC[NH+]1CCC(c2nc([C@@H](OCC)C(C)C)no2)CC1 ZINC000904122271 621528042 /nfs/dbraw/zinc/52/80/42/621528042.db2.gz YVPORWCFRDFXQS-AWEZNQCLSA-N 1 1 291.395 2.616 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccc(C)n2)no1 ZINC000904572190 621611909 /nfs/dbraw/zinc/61/19/09/621611909.db2.gz GAFTYVFWUJZCEC-NSHDSACASA-N 1 1 258.325 2.796 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(O)cc2)no1 ZINC000904677439 621621334 /nfs/dbraw/zinc/62/13/34/621621334.db2.gz NGMLCUUOGQFHIM-LBPRGKRZSA-N 1 1 259.309 2.798 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(F)cn2)no1 ZINC000904683393 621622151 /nfs/dbraw/zinc/62/21/51/621622151.db2.gz QICPIBHKMWCWFP-SNVBAGLBSA-N 1 1 262.288 2.627 20 30 CFEDMO C=CCC(C)(C)c1noc(-c2cnc(C[NH3+])s2)n1 ZINC000904725453 621626387 /nfs/dbraw/zinc/62/63/87/621626387.db2.gz XGCITIVXXHZYBE-UHFFFAOYSA-N 1 1 264.354 2.506 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc([C@@H](CCC)OC)no1 ZINC000904727512 621632426 /nfs/dbraw/zinc/63/24/26/621632426.db2.gz INBNMVBIXFSBDY-GHMZBOCLSA-N 1 1 253.346 2.913 20 30 CFEDMO Cc1cc(Cl)ccc1N[NH2+]C1=CC(=O)N2CCC[C@H]12 ZINC000905506058 621783243 /nfs/dbraw/zinc/78/32/43/621783243.db2.gz HDUPNXBXYRDKNZ-CYBMUJFWSA-N 1 1 277.755 2.811 20 30 CFEDMO C#Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CCC)C2)c1 ZINC000905689974 621818737 /nfs/dbraw/zinc/81/87/37/621818737.db2.gz SMVULVNHVQHQNF-HNNXBMFYSA-N 1 1 270.376 2.728 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000905701855 621824807 /nfs/dbraw/zinc/82/48/07/621824807.db2.gz KBNHLEVKOOJTTD-WFASDCNBSA-N 1 1 254.337 2.566 20 30 CFEDMO C#CC[N@@H+](Cn1cnc2cc(F)c(F)cc21)C(C)C ZINC000905742033 621842599 /nfs/dbraw/zinc/84/25/99/621842599.db2.gz ITAQIKXWBAUHQV-UHFFFAOYSA-N 1 1 263.291 2.616 20 30 CFEDMO C=CC[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)C(=O)OC ZINC000905763828 621855426 /nfs/dbraw/zinc/85/54/26/621855426.db2.gz OPVXHSYOJJVURF-RUXDESIVSA-N 1 1 283.412 2.678 20 30 CFEDMO C=CC[C@H]([NH2+][C@H](C)CCCC(F)(F)F)C(=O)OC ZINC000905765329 621855873 /nfs/dbraw/zinc/85/58/73/621855873.db2.gz YYZRHMFBDBOAMI-ZJUUUORDSA-N 1 1 267.291 2.815 20 30 CFEDMO C=CC[C@@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)C(=O)OC ZINC000905767969 621858247 /nfs/dbraw/zinc/85/82/47/621858247.db2.gz RHMMMCAXJFKQRX-NWDGAFQWSA-N 1 1 275.339 2.909 20 30 CFEDMO C=CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1C1CC1)C(=O)OC ZINC000905774112 621862593 /nfs/dbraw/zinc/86/25/93/621862593.db2.gz XWOWJKKURPHCIP-IHRRRGAJSA-N 1 1 251.370 2.520 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)n1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000905801966 621867205 /nfs/dbraw/zinc/86/72/05/621867205.db2.gz OPGQBYNJNKRHPS-ZDUSSCGKSA-N 1 1 297.406 2.989 20 30 CFEDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC1(C)C ZINC000905959281 621912082 /nfs/dbraw/zinc/91/20/82/621912082.db2.gz SCJJLPXFZGLFLU-UONOGXRCSA-N 1 1 264.413 2.798 20 30 CFEDMO CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@H]1C1CC1 ZINC000905960094 621912784 /nfs/dbraw/zinc/91/27/84/621912784.db2.gz WYLKSWBSAMOOJD-KGLIPLIRSA-N 1 1 262.397 2.552 20 30 CFEDMO C=C[C@H](CC)CC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC000905982335 621913634 /nfs/dbraw/zinc/91/36/34/621913634.db2.gz ABQNUDFJHOKLHQ-AAVRWANBSA-N 1 1 252.402 2.528 20 30 CFEDMO COc1cc(OCC[C@@H]2CCCC[N@H+]2C)ccc1C#N ZINC000906507105 621998838 /nfs/dbraw/zinc/99/88/38/621998838.db2.gz FCJZSTHABGVKCF-AWEZNQCLSA-N 1 1 274.364 2.820 20 30 CFEDMO C=C(CC[NH+](C)C)C(=O)Nc1cc(Cl)c(O)cc1F ZINC000908187467 622202099 /nfs/dbraw/zinc/20/20/99/622202099.db2.gz GQXFCWQYHRYVEX-UHFFFAOYSA-N 1 1 286.734 2.631 20 30 CFEDMO C#CCC1(C(=O)N2CCC[N@H+](CC)C[C@@H]2C)CCCCC1 ZINC000910278302 622423878 /nfs/dbraw/zinc/42/38/78/622423878.db2.gz DIQTWURGKSUZRX-INIZCTEOSA-N 1 1 290.451 2.903 20 30 CFEDMO CC[N@H+]1CCCN(C(=O)/C=C/c2ccccc2C#N)[C@@H](C)C1 ZINC000910292373 622430011 /nfs/dbraw/zinc/43/00/11/622430011.db2.gz DTIXBKINZLUSBN-FEAKQIBJSA-N 1 1 297.402 2.514 20 30 CFEDMO CC[N@H+]1CCCN(C(=O)/C=C/c2ccccc2C#N)[C@H](C)C1 ZINC000910292372 622430176 /nfs/dbraw/zinc/43/01/76/622430176.db2.gz DTIXBKINZLUSBN-BOLDSZDNSA-N 1 1 297.402 2.514 20 30 CFEDMO C#CC[N@H+](Cc1cc(C(=O)OC)c(C)o1)C1CCCC1 ZINC000155859910 622483447 /nfs/dbraw/zinc/48/34/47/622483447.db2.gz VZOCWXNPAXBYEM-UHFFFAOYSA-N 1 1 275.348 2.752 20 30 CFEDMO C[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000819924215 622573331 /nfs/dbraw/zinc/57/33/31/622573331.db2.gz IGDXVSXUUYRPEF-OAHLLOKOSA-N 1 1 292.386 2.664 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000820308453 622646139 /nfs/dbraw/zinc/64/61/39/622646139.db2.gz KDTYXJWBVTXWIW-CABCVRRESA-N 1 1 278.440 2.922 20 30 CFEDMO C=CCC[C@H]1CCCN1C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000912254415 622673705 /nfs/dbraw/zinc/67/37/05/622673705.db2.gz VFIULJPCLTYSOU-CVEARBPZSA-N 1 1 293.455 2.859 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cc3ccccc3)CCC[C@H]12 ZINC000991412497 622786323 /nfs/dbraw/zinc/78/63/23/622786323.db2.gz CELDMXQWOJPCJZ-PKOBYXMFSA-N 1 1 298.430 2.918 20 30 CFEDMO C=CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000912983695 622812190 /nfs/dbraw/zinc/81/21/90/622812190.db2.gz GFAZZLTZXKMDPV-CABCVRRESA-N 1 1 264.413 2.533 20 30 CFEDMO C#CCCCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000913096452 622833928 /nfs/dbraw/zinc/83/39/28/622833928.db2.gz ARSRFWRDCIWZOL-WMZOPIPTSA-N 1 1 298.430 2.817 20 30 CFEDMO CO[NH+]=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000151323293 622887502 /nfs/dbraw/zinc/88/75/02/622887502.db2.gz VDQHFVQWPFSJLU-UHFFFAOYSA-N 1 1 256.305 2.532 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(C)c2ccccc12 ZINC000840465687 622940725 /nfs/dbraw/zinc/94/07/25/622940725.db2.gz YFKMBZWJPZAZGK-UHFFFAOYSA-N 1 1 294.398 2.833 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3(F)CCCC3)CCC[C@H]12 ZINC000991498858 622946078 /nfs/dbraw/zinc/94/60/78/622946078.db2.gz CEUVKHHZEKEMSW-BBRMVZONSA-N 1 1 280.387 2.568 20 30 CFEDMO CC(C)(CNCc1cccc(C#N)c1)[NH+]1CCCCC1 ZINC000057597981 623006018 /nfs/dbraw/zinc/00/60/18/623006018.db2.gz GMRQLUCIHWQKIY-UHFFFAOYSA-N 1 1 271.408 2.912 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)Cc3ccc(C)cc3)CCC[C@H]12 ZINC000991676117 623079012 /nfs/dbraw/zinc/07/90/12/623079012.db2.gz BQPGYDCRMVSBSH-HKUYNNGSSA-N 1 1 298.430 2.837 20 30 CFEDMO COc1cc(-c2noc([C@H]([NH3+])CCCC#N)n2)ccc1F ZINC000822711250 623157495 /nfs/dbraw/zinc/15/74/95/623157495.db2.gz CLXQHCXGTINLGH-LLVKDONJSA-N 1 1 290.298 2.578 20 30 CFEDMO Cc1ccc(F)cc1-c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000822717803 623159539 /nfs/dbraw/zinc/15/95/39/623159539.db2.gz OMLLCOANXKKGPQ-GFCCVEGCSA-N 1 1 274.299 2.878 20 30 CFEDMO Cc1ccc(F)c(-c2noc([C@@H]([NH3+])CCCC#N)n2)c1 ZINC000823063703 623226483 /nfs/dbraw/zinc/22/64/83/623226483.db2.gz ABAFDVHAWDFYJN-LBPRGKRZSA-N 1 1 274.299 2.878 20 30 CFEDMO C#C[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)c1ccc(F)cc1 ZINC000823073023 623228987 /nfs/dbraw/zinc/22/89/87/623228987.db2.gz OMGXYTQKCPYAFL-HNNXBMFYSA-N 1 1 299.349 2.636 20 30 CFEDMO CCCCCCCCC[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000230013127 623239877 /nfs/dbraw/zinc/23/98/77/623239877.db2.gz KOHSJPRXFXUUGD-LSDHHAIUSA-N 1 1 257.418 2.819 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc(-c2cccc3ncccc32)no1 ZINC000823185169 623256127 /nfs/dbraw/zinc/25/61/27/623256127.db2.gz OMFADOMXBXITCV-ZDUSSCGKSA-N 1 1 293.330 2.978 20 30 CFEDMO C#CCOc1ccc(CNCCC[NH+]2CCCCC2)cc1 ZINC000172112505 623260646 /nfs/dbraw/zinc/26/06/46/623260646.db2.gz RLXVZHMPTKWMSF-UHFFFAOYSA-N 1 1 286.419 2.664 20 30 CFEDMO CCCCCCC[N@@H+](CCC)[C@H]1CCS(=O)(=O)C1 ZINC000172650237 623295418 /nfs/dbraw/zinc/29/54/18/623295418.db2.gz PNQQRESMODKCHY-AWEZNQCLSA-N 1 1 275.458 2.856 20 30 CFEDMO N#CCCCOC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000172628322 623295732 /nfs/dbraw/zinc/29/57/32/623295732.db2.gz VEEAWYSFGOGALD-MRXNPFEDSA-N 1 1 286.375 2.888 20 30 CFEDMO N#CCCCOC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000172628322 623295736 /nfs/dbraw/zinc/29/57/36/623295736.db2.gz VEEAWYSFGOGALD-MRXNPFEDSA-N 1 1 286.375 2.888 20 30 CFEDMO CC(C)N(C(=O)CO[NH+]=C(N)C1CCCCC1)C(C)C ZINC000063458850 623352524 /nfs/dbraw/zinc/35/25/24/623352524.db2.gz TXGXZVAZHIKAOQ-UHFFFAOYSA-N 1 1 283.416 2.501 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)N1CCCC1 ZINC000823617309 623362085 /nfs/dbraw/zinc/36/20/85/623362085.db2.gz IESVJXWRBWGTPR-CQSZACIVSA-N 1 1 285.391 2.564 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(C)c(C)cn3)CCC[C@@H]12 ZINC000991977906 623435300 /nfs/dbraw/zinc/43/53/00/623435300.db2.gz VTBABBUFSULYSG-SJLPKXTDSA-N 1 1 299.418 2.611 20 30 CFEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC3(C)C)CCC[C@@H]12 ZINC000992116954 623459286 /nfs/dbraw/zinc/45/92/86/623459286.db2.gz HZPJWQIITAGYRE-HDMKZQKVSA-N 1 1 288.435 2.559 20 30 CFEDMO 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DYVVDBYHUBTDIU-ZNMIVQPWSA-N 1 1 292.423 2.635 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805764179 628830415 /nfs/dbraw/zinc/83/04/15/628830415.db2.gz YEBAQTFHGYKAOE-AWEZNQCLSA-N 1 1 280.412 2.779 20 30 CFEDMO C#CCOCC[N@H+](CCCC)[C@H]1CCc2ncsc2C1 ZINC000852207617 634688982 /nfs/dbraw/zinc/68/89/82/634688982.db2.gz LPULZBMUGJHLTM-AWEZNQCLSA-N 1 1 292.448 2.752 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1COC(=O)NCCC ZINC000805772121 628862626 /nfs/dbraw/zinc/86/26/26/628862626.db2.gz CBELJKSZSACFTR-CYBMUJFWSA-N 1 1 254.374 2.553 20 30 CFEDMO C=CCCC[N@@H+]1CCCC[C@@H]1COC(=O)NCCC ZINC000805774508 628872773 /nfs/dbraw/zinc/87/27/73/628872773.db2.gz LYBYSKDCYVHXSK-CQSZACIVSA-N 1 1 268.401 2.943 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)CC(C)(C)C ZINC000785613071 628898182 /nfs/dbraw/zinc/89/81/82/628898182.db2.gz JYTBVBBHMZCBCS-GJZGRUSLSA-N 1 1 278.440 2.663 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)CC(C)(C)C ZINC000785613071 628898185 /nfs/dbraw/zinc/89/81/85/628898185.db2.gz JYTBVBBHMZCBCS-GJZGRUSLSA-N 1 1 278.440 2.663 20 30 CFEDMO C=CCCCCC[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000785676362 628903786 /nfs/dbraw/zinc/90/37/86/628903786.db2.gz RWFHPWOMGGZHQD-CQSZACIVSA-N 1 1 253.386 2.960 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)cc1 ZINC000785989614 628928354 /nfs/dbraw/zinc/92/83/54/628928354.db2.gz VUUJXMMQDIUMCU-MPGHIAIKSA-N 1 1 287.403 2.680 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](C)NC(=O)OC(C)(C)C ZINC000785998299 628929520 /nfs/dbraw/zinc/92/95/20/628929520.db2.gz CBNJWOWIBVSXHK-QWHCGFSZSA-N 1 1 268.401 2.940 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](C)NC(=O)OC(C)(C)C ZINC000785998300 628929589 /nfs/dbraw/zinc/92/95/89/628929589.db2.gz CBNJWOWIBVSXHK-STQMWFEESA-N 1 1 268.401 2.940 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)NC1CCCCCCC1 ZINC000787997868 629047179 /nfs/dbraw/zinc/04/71/79/629047179.db2.gz BXVYCKCTLKWHER-UHFFFAOYSA-N 1 1 264.413 2.559 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)NC1CCCCCCC1 ZINC000787997868 629047181 /nfs/dbraw/zinc/04/71/81/629047181.db2.gz BXVYCKCTLKWHER-UHFFFAOYSA-N 1 1 264.413 2.559 20 30 CFEDMO C#CCC1(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CCCCC1 ZINC000788175349 629048613 /nfs/dbraw/zinc/04/86/13/629048613.db2.gz WJMJBQLIOLEGRZ-INIZCTEOSA-N 1 1 290.451 2.807 20 30 CFEDMO C#CCC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC000788210195 629050860 /nfs/dbraw/zinc/05/08/60/629050860.db2.gz FLUGOZCVTWDWDT-INIZCTEOSA-N 1 1 290.451 2.951 20 30 CFEDMO C#CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000788222176 629052033 /nfs/dbraw/zinc/05/20/33/629052033.db2.gz DEPGNYDDWLIUDW-LSDHHAIUSA-N 1 1 276.424 2.559 20 30 CFEDMO C#CCC1(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCCCC1 ZINC000788231391 629052614 /nfs/dbraw/zinc/05/26/14/629052614.db2.gz DJPBLOKVWNWGOF-HOCLYGCPSA-N 1 1 288.435 2.559 20 30 CFEDMO CCCCCCC[N@H+]1CCCN(CCC)C(=O)C1 ZINC000788279545 629055855 /nfs/dbraw/zinc/05/58/55/629055855.db2.gz SHVQOHFBCZMGSN-UHFFFAOYSA-N 1 1 254.418 2.901 20 30 CFEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000788521397 629078237 /nfs/dbraw/zinc/07/82/37/629078237.db2.gz QIQXWIZVFHOWTM-UHFFFAOYSA-N 1 1 296.305 2.970 20 30 CFEDMO CCN(C)c1ccc(C=[NH+]Nc2ccc(C#N)cc2)cn1 ZINC000790158387 629214804 /nfs/dbraw/zinc/21/48/04/629214804.db2.gz QGAGAODFBNPJIL-UHFFFAOYSA-N 1 1 279.347 2.855 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000852319026 634718627 /nfs/dbraw/zinc/71/86/27/634718627.db2.gz FJFUHHAXJQICIP-WFASDCNBSA-N 1 1 278.783 2.999 20 30 CFEDMO C=C(Br)C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000790471386 629241067 /nfs/dbraw/zinc/24/10/67/629241067.db2.gz OOMGBGSLCMSRGN-UHFFFAOYSA-N 1 1 292.180 2.871 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)c2ccccc2CC(C)C)CC1 ZINC000790552441 629247254 /nfs/dbraw/zinc/24/72/54/629247254.db2.gz XEIFPKUZRUGWII-UHFFFAOYSA-N 1 1 298.430 2.666 20 30 CFEDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](CC#N)C2)c1O ZINC000852319003 634719367 /nfs/dbraw/zinc/71/93/67/634719367.db2.gz DYQRXNVKXOVMAO-GFCCVEGCSA-N 1 1 290.338 2.860 20 30 CFEDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](CC#N)C2)c1O ZINC000852319003 634719375 /nfs/dbraw/zinc/71/93/75/634719375.db2.gz DYQRXNVKXOVMAO-GFCCVEGCSA-N 1 1 290.338 2.860 20 30 CFEDMO C=CCC1(C(=O)NCCn2cc[nH+]c2C(C)C)CCC1 ZINC000790632645 629253530 /nfs/dbraw/zinc/25/35/30/629253530.db2.gz SCUUVGLIJWHGIH-UHFFFAOYSA-N 1 1 275.396 2.869 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000852319716 634721461 /nfs/dbraw/zinc/72/14/61/634721461.db2.gz RCTSLWWXTNCYBZ-ZBFHGGJFSA-N 1 1 299.374 2.637 20 30 CFEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000852330151 634723649 /nfs/dbraw/zinc/72/36/49/634723649.db2.gz ATUDNVIFNLDIHA-NVXWUHKLSA-N 1 1 285.391 2.508 20 30 CFEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000852330151 634723651 /nfs/dbraw/zinc/72/36/51/634723651.db2.gz ATUDNVIFNLDIHA-NVXWUHKLSA-N 1 1 285.391 2.508 20 30 CFEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CC2CCC2)C1 ZINC000852328928 634723901 /nfs/dbraw/zinc/72/39/01/634723901.db2.gz PUURQYOGOHARHM-INIZCTEOSA-N 1 1 255.365 2.739 20 30 CFEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC2CCC2)C1 ZINC000852328928 634723905 /nfs/dbraw/zinc/72/39/05/634723905.db2.gz PUURQYOGOHARHM-INIZCTEOSA-N 1 1 255.365 2.739 20 30 CFEDMO C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)CCO1 ZINC000852331522 634724065 /nfs/dbraw/zinc/72/40/65/634724065.db2.gz AHZFWOXJDJXETC-RYRKJORJSA-N 1 1 299.418 2.754 20 30 CFEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000852332852 634724448 /nfs/dbraw/zinc/72/44/48/634724448.db2.gz WHDHUJBSHLJCRE-WMZOPIPTSA-N 1 1 299.418 2.898 20 30 CFEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000852332852 634724452 /nfs/dbraw/zinc/72/44/52/634724452.db2.gz WHDHUJBSHLJCRE-WMZOPIPTSA-N 1 1 299.418 2.898 20 30 CFEDMO C=CC[N@@H+](C[C@@H](O)c1cc2ccccc2o1)[C@@H](C)COC ZINC000852356765 634731346 /nfs/dbraw/zinc/73/13/46/634731346.db2.gz NIZDNTPGXPGMAN-DZGCQCFKSA-N 1 1 289.375 2.989 20 30 CFEDMO C=CC[N@@H+](C[C@@H](O)c1cccc(Cl)c1)[C@H](C)COC ZINC000852358513 634732151 /nfs/dbraw/zinc/73/21/51/634732151.db2.gz VBLOFKWGWNMWTF-IUODEOHRSA-N 1 1 283.799 2.896 20 30 CFEDMO C=CC[N@@H+](C[C@H](O)c1cccc(Cl)c1)[C@@H](C)COC ZINC000852358515 634732830 /nfs/dbraw/zinc/73/28/30/634732830.db2.gz VBLOFKWGWNMWTF-WFASDCNBSA-N 1 1 283.799 2.896 20 30 CFEDMO C=CC[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)[C@@H](C)COC ZINC000852357622 634732866 /nfs/dbraw/zinc/73/28/66/634732866.db2.gz FEVGYLDWWSXAHK-NHYWBVRUSA-N 1 1 285.334 2.521 20 30 CFEDMO C#CC[N@@H+](C)CCOc1cc(Cl)cc(Cl)c1 ZINC000792298893 629419134 /nfs/dbraw/zinc/41/91/34/629419134.db2.gz XXBFRYDHIPPJGQ-UHFFFAOYSA-N 1 1 258.148 2.937 20 30 CFEDMO C#C[C@@H](CC)[NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000792643542 629441827 /nfs/dbraw/zinc/44/18/27/629441827.db2.gz RVINECBYVAQSOZ-DLBZAZTESA-N 1 1 284.403 2.742 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000793213364 629506229 /nfs/dbraw/zinc/50/62/29/629506229.db2.gz AAFKHEYHMUPSMH-KSSFIOAISA-N 1 1 285.387 2.698 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000793213364 629506233 /nfs/dbraw/zinc/50/62/33/629506233.db2.gz AAFKHEYHMUPSMH-KSSFIOAISA-N 1 1 285.387 2.698 20 30 CFEDMO CC1(C)CC[NH+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793491464 629555805 /nfs/dbraw/zinc/55/58/05/629555805.db2.gz SEFCRUCHNARNPY-UHFFFAOYSA-N 1 1 299.418 2.678 20 30 CFEDMO CC[C@@H](C)C[N@@H+](C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793496874 629556784 /nfs/dbraw/zinc/55/67/84/629556784.db2.gz GTUKRERDDNKGAN-CYBMUJFWSA-N 1 1 287.407 2.534 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1cnc(OC)c(Cl)c1)[C@@H]1CCCO1 ZINC000793558358 629571143 /nfs/dbraw/zinc/57/11/43/629571143.db2.gz SAEYOLWXRMFHMB-SWHYSGLUSA-N 1 1 294.782 2.575 20 30 CFEDMO C[C@H]1COC2(CCC2)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000852441404 634747553 /nfs/dbraw/zinc/74/75/53/634747553.db2.gz NZMZGFOQRIMKHD-AWEZNQCLSA-N 1 1 286.375 2.732 20 30 CFEDMO C#CC[C@@H](OC(=O)c1cnn(-c2cc[nH+]cc2)c1)C(C)(C)C ZINC000835304613 629611243 /nfs/dbraw/zinc/61/12/43/629611243.db2.gz WAUFKXVFWJEJFW-OAHLLOKOSA-N 1 1 297.358 2.862 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc(C)ccc1OC(F)F)[C@H]1CCCO1 ZINC000794497255 629651131 /nfs/dbraw/zinc/65/11/31/629651131.db2.gz HNVPRTDWYLQAKT-DZGCQCFKSA-N 1 1 295.329 2.867 20 30 CFEDMO C#CC(C)(C)[N@H+](C)Cc1ncccc1C(F)(F)F ZINC000794579295 629664441 /nfs/dbraw/zinc/66/44/41/629664441.db2.gz ZRYDUHSYWCPLAZ-UHFFFAOYSA-N 1 1 256.271 2.944 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)Cc1ncccc1C(F)(F)F ZINC000794579295 629664445 /nfs/dbraw/zinc/66/44/45/629664445.db2.gz ZRYDUHSYWCPLAZ-UHFFFAOYSA-N 1 1 256.271 2.944 20 30 CFEDMO CCC(CC)[N@H+](Cn1nc(CC#N)n(C)c1=S)C1CC1 ZINC000794621534 629669689 /nfs/dbraw/zinc/66/96/89/629669689.db2.gz UGEZCTZSEJQNCC-UHFFFAOYSA-N 1 1 293.440 2.628 20 30 CFEDMO CCC(CC)[N@@H+](Cn1nc(CC#N)n(C)c1=S)C1CC1 ZINC000794621534 629669692 /nfs/dbraw/zinc/66/96/92/629669692.db2.gz UGEZCTZSEJQNCC-UHFFFAOYSA-N 1 1 293.440 2.628 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000794802497 629688185 /nfs/dbraw/zinc/68/81/85/629688185.db2.gz FZDJXRWRRUJZDF-YJBOKZPZSA-N 1 1 285.387 2.605 20 30 CFEDMO COCCCON=C1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000795041671 629728232 /nfs/dbraw/zinc/72/82/32/629728232.db2.gz FQUUVDYZSAGBMZ-HNNXBMFYSA-N 1 1 290.407 2.938 20 30 CFEDMO COCCCON=C(C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000795049141 629729091 /nfs/dbraw/zinc/72/90/91/629729091.db2.gz XWEPMRKXELUAMU-UHFFFAOYSA-N 1 1 287.363 2.958 20 30 CFEDMO COCCCO[NH+]=C(C)c1ccc(N2CCCC2)cc1O ZINC000795048489 629729550 /nfs/dbraw/zinc/72/95/50/629729550.db2.gz LYBLYPVTGNCNFP-UHFFFAOYSA-N 1 1 292.379 2.770 20 30 CFEDMO COCCCON=C1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000795050500 629729870 /nfs/dbraw/zinc/72/98/70/629729870.db2.gz DVBVRHAMMIVBMI-CQSZACIVSA-N 1 1 276.380 2.690 20 30 CFEDMO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1nc(CC)no1 ZINC000795329462 629761615 /nfs/dbraw/zinc/76/16/15/629761615.db2.gz PVDYGWQSWMUKIG-HIFRSBDPSA-N 1 1 283.375 2.917 20 30 CFEDMO CC[N@H+](CC1CCC1)[C@@H](C(=O)OC)c1ccc(C#N)cc1 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2.933 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)CN1C[C@@H](CC)CC1=O ZINC000119249587 637549710 /nfs/dbraw/zinc/54/97/10/637549710.db2.gz WUVSXCBBACQYBG-INIZCTEOSA-N 1 1 286.419 2.933 20 30 CFEDMO CCC(=[NH+]NC(=S)NCC1CCC1)c1ccc(N)cc1 ZINC000863089849 637552931 /nfs/dbraw/zinc/55/29/31/637552931.db2.gz MIKDCEOHOGOAKB-UHFFFAOYSA-N 1 1 290.436 2.647 20 30 CFEDMO C[N@H+]1CCC(N=Nc2cnc3ccccc3n2)CC1(C)C ZINC000863088286 637552988 /nfs/dbraw/zinc/55/29/88/637552988.db2.gz CTKXURBFXOCFHJ-UHFFFAOYSA-N 1 1 283.379 2.902 20 30 CFEDMO C[N@H+]1CCC(=NNc2nc(=O)c3ccccc3[nH]2)CC1(C)C ZINC000863101605 637554415 /nfs/dbraw/zinc/55/44/15/637554415.db2.gz ZYPLAQKIVDCXPB-UHFFFAOYSA-N 1 1 299.378 2.608 20 30 CFEDMO CN(C)c1c(C=[NH+]NC[C@@H]2CCSC2)ccc(F)c1F ZINC000863111876 637559917 /nfs/dbraw/zinc/55/99/17/637559917.db2.gz HUQLFPZLXHJTPW-JTQLQIEISA-N 1 1 299.390 2.707 20 30 CFEDMO C=C(C)CN[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863113567 637560583 /nfs/dbraw/zinc/56/05/83/637560583.db2.gz XYGANCAUVRRIKQ-UHFFFAOYSA-N 1 1 253.296 2.530 20 30 CFEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1cccc(F)c1Cl ZINC000863158711 637572943 /nfs/dbraw/zinc/57/29/43/637572943.db2.gz MWGLHRVYLAQSMW-MRVPVSSYSA-N 1 1 255.724 2.829 20 30 CFEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1ccc(F)c(Cl)c1 ZINC000863178924 637579820 /nfs/dbraw/zinc/57/98/20/637579820.db2.gz KQIXSHGGFROLQQ-QMMMGPOBSA-N 1 1 255.724 2.829 20 30 CFEDMO CCCCCCC[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000119531751 637702971 /nfs/dbraw/zinc/70/29/71/637702971.db2.gz AUJICTOPHOMCGN-OAHLLOKOSA-N 1 1 264.417 2.961 20 30 CFEDMO CC[C@H]1CC[N@@H+](Cn2c(C)nnc2-c2cccc(C#N)c2)C1 ZINC000119563790 637731856 /nfs/dbraw/zinc/73/18/56/637731856.db2.gz TWTKCIAAMXSURY-AWEZNQCLSA-N 1 1 295.390 2.815 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)cc1 ZINC000119744173 637822861 /nfs/dbraw/zinc/82/28/61/637822861.db2.gz HXQKAGVPFSVGIH-ZBFHGGJFSA-N 1 1 288.391 2.836 20 30 CFEDMO COc1ccc(O)c(/C=N/C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000864346405 637946641 /nfs/dbraw/zinc/94/66/41/637946641.db2.gz VOUOHEBQYZURHZ-LZNAANCOSA-N 1 1 288.391 2.837 20 30 CFEDMO COc1cccc(O)c1/C=N/C[C@H]1CC[N@H+]1C1CCCC1 ZINC000864346608 637946868 /nfs/dbraw/zinc/94/68/68/637946868.db2.gz XUNFVTMFZMUUSI-CRRKTRLDSA-N 1 1 288.391 2.837 20 30 CFEDMO CC(=NN1CC[NH+](C)CC1)c1ccccc1C(F)(F)F ZINC000864352652 637949884 /nfs/dbraw/zinc/94/98/84/637949884.db2.gz XOLJMDREQXBZQB-UHFFFAOYSA-N 1 1 285.313 2.677 20 30 CFEDMO C=C1CC(C)(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)C1 ZINC000864891364 638116193 /nfs/dbraw/zinc/11/61/93/638116193.db2.gz KNSFUJWLLKDSON-UHFFFAOYSA-N 1 1 282.347 2.871 20 30 CFEDMO CC[N@H+]1CCN(c2cc(C(F)(F)F)cc(C#N)n2)C[C@H]1C ZINC000865638290 638479992 /nfs/dbraw/zinc/47/99/92/638479992.db2.gz ATHWYKCJTQKYTR-SNVBAGLBSA-N 1 1 298.312 2.502 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3ccc(Cl)cc3C#N)CC[C@H]21 ZINC000866206886 638770483 /nfs/dbraw/zinc/77/04/83/638770483.db2.gz UNCCHDPAHZBIKX-BXUZGUMPSA-N 1 1 275.783 2.742 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1[O-] ZINC000866236356 638776662 /nfs/dbraw/zinc/77/66/62/638776662.db2.gz DCXJHYZKGMKDCH-NWANDNLSSA-N 1 1 285.391 2.541 20 30 CFEDMO Cc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)cn1 ZINC000866238025 638777038 /nfs/dbraw/zinc/77/70/38/638777038.db2.gz MSQOSHKFRPTZCE-GFCCVEGCSA-N 1 1 267.332 2.818 20 30 CFEDMO Cc1nc(N[C@@H]2Cc3ccc(C#N)cc3C2)c(C)c(C)[nH+]1 ZINC000866259107 638782133 /nfs/dbraw/zinc/78/21/33/638782133.db2.gz HQZIHVIYXMEAGY-MRXNPFEDSA-N 1 1 278.359 2.853 20 30 CFEDMO CCc1nc(N[C@@H]2Cc3ccc(C#N)cc3C2)cc(C)[nH+]1 ZINC000866259193 638782419 /nfs/dbraw/zinc/78/24/19/638782419.db2.gz JMUQVYKNSHJGES-OAHLLOKOSA-N 1 1 278.359 2.798 20 30 CFEDMO Oc1ccccc1/C=[NH+]/CCc1nc2ccccc2[nH]1 ZINC000017309334 639006078 /nfs/dbraw/zinc/00/60/78/639006078.db2.gz URXTXGNYZQIDAY-GZTJUZNOSA-N 1 1 265.316 2.930 20 30 CFEDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C2(C#N)CCC2)CC1 ZINC000870123661 639521491 /nfs/dbraw/zinc/52/14/91/639521491.db2.gz HTVCHGTUKYFXJD-OAHLLOKOSA-N 1 1 297.402 2.586 20 30 CFEDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CCCC#N)CC1 ZINC000870121858 639521816 /nfs/dbraw/zinc/52/18/16/639521816.db2.gz CIEBVBNIXGZYKY-HNNXBMFYSA-N 1 1 285.391 2.586 20 30 CFEDMO CCCCCCCCC[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000192030796 650536138 /nfs/dbraw/zinc/53/61/38/650536138.db2.gz SUGMMMAGLHYRFL-MRXNPFEDSA-N 1 1 284.444 2.574 20 30 CFEDMO CCCCCCCCC[N@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000192030796 650536142 /nfs/dbraw/zinc/53/61/42/650536142.db2.gz SUGMMMAGLHYRFL-MRXNPFEDSA-N 1 1 284.444 2.574 20 30 CFEDMO C[C@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1cccc(C#N)c1 ZINC000870788816 641072592 /nfs/dbraw/zinc/07/25/92/641072592.db2.gz PGKAQVNCMNLAOU-CJNGLKHVSA-N 1 1 286.375 2.978 20 30 CFEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000870908769 641117088 /nfs/dbraw/zinc/11/70/88/641117088.db2.gz XNURXULRIKKWBD-GOSISDBHSA-N 1 1 298.430 2.879 20 30 CFEDMO N#Cc1cc(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)c[nH]1 ZINC000888573495 641321540 /nfs/dbraw/zinc/32/15/40/641321540.db2.gz QLCPISFYSCQEMZ-UHFFFAOYSA-N 1 1 295.346 2.524 20 30 CFEDMO CC[C@](C)(C#N)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888574939 641322523 /nfs/dbraw/zinc/32/25/23/641322523.db2.gz VVTPFMKAHNCQMU-MRXNPFEDSA-N 1 1 286.379 2.950 20 30 CFEDMO CC[C@H](C#N)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888576006 641323830 /nfs/dbraw/zinc/32/38/30/641323830.db2.gz GLUZKIVJDMMASN-GFCCVEGCSA-N 1 1 272.352 2.560 20 30 CFEDMO N#Cc1cccc(OCCCO[NH+]=C(N)C2CCC2)c1 ZINC000871766320 641449293 /nfs/dbraw/zinc/44/92/93/641449293.db2.gz MKQXFKIHRYVQAV-UHFFFAOYSA-N 1 1 273.336 2.626 20 30 CFEDMO CC(C)[C@@H](C(=O)[C@@H](C#N)c1ccccn1)[NH+]1CCCCC1 ZINC000123829270 641481850 /nfs/dbraw/zinc/48/18/50/641481850.db2.gz FWIKMBKVTROWIP-HOCLYGCPSA-N 1 1 285.391 2.768 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cn(C)nc2C(C)C)no1 ZINC000872182441 641696541 /nfs/dbraw/zinc/69/65/41/641696541.db2.gz MBJYQVGBVCWVFQ-JTQLQIEISA-N 1 1 295.774 2.736 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cccc(SC)n2)no1 ZINC000872184848 641698020 /nfs/dbraw/zinc/69/80/20/641698020.db2.gz YYDSOOPRBCXSJN-QMMMGPOBSA-N 1 1 296.783 2.996 20 30 CFEDMO Cc1ccc(N=NC2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000872325581 641756039 /nfs/dbraw/zinc/75/60/39/641756039.db2.gz XRVBWGZAQBVCKJ-OAHLLOKOSA-N 1 1 275.421 2.974 20 30 CFEDMO Cc1ccc(N=NC2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000872325581 641756041 /nfs/dbraw/zinc/75/60/41/641756041.db2.gz XRVBWGZAQBVCKJ-OAHLLOKOSA-N 1 1 275.421 2.974 20 30 CFEDMO Fc1ccccc1N=NC1CCC[N@@H+]2CCSC[C@H]12 ZINC000872341016 641759699 /nfs/dbraw/zinc/75/96/99/641759699.db2.gz YXEZAQXGMWACLU-CQSZACIVSA-N 1 1 279.384 2.805 20 30 CFEDMO Fc1ccccc1N=NC1CCC[N@H+]2CCSC[C@H]12 ZINC000872341016 641759703 /nfs/dbraw/zinc/75/97/03/641759703.db2.gz YXEZAQXGMWACLU-CQSZACIVSA-N 1 1 279.384 2.805 20 30 CFEDMO Clc1ccc(N=NC2CCC[N@@H+]3CCSC[C@@H]23)cn1 ZINC000872354237 641763932 /nfs/dbraw/zinc/76/39/32/641763932.db2.gz YNQQUUCPHTWDCF-LBPRGKRZSA-N 1 1 296.827 2.714 20 30 CFEDMO Clc1ccc(N=NC2CCC[N@H+]3CCSC[C@@H]23)cn1 ZINC000872354237 641763936 /nfs/dbraw/zinc/76/39/36/641763936.db2.gz YNQQUUCPHTWDCF-LBPRGKRZSA-N 1 1 296.827 2.714 20 30 CFEDMO CCC(=[NH+]n1cc(Br)cn1)[C@@H]1CCCOC1 ZINC000872359471 641767364 /nfs/dbraw/zinc/76/73/64/641767364.db2.gz FXDZVZVENJQQEP-SECBINFHSA-N 1 1 286.173 2.686 20 30 CFEDMO CCNc1ccccc1C=[NH+]NCCC(F)(F)F ZINC000872370281 641775357 /nfs/dbraw/zinc/77/53/57/641775357.db2.gz XEEHUYOOXWNDQM-UHFFFAOYSA-N 1 1 259.275 2.994 20 30 CFEDMO C[C@H](NN=C1CCC[N@@H+]2CCSC[C@H]12)C(C)(C)C ZINC000872377326 641782169 /nfs/dbraw/zinc/78/21/69/641782169.db2.gz YUUUORDOCXASPW-WCQYABFASA-N 1 1 269.458 2.578 20 30 CFEDMO C[C@H](NN=C1CCC[N@H+]2CCSC[C@H]12)C(C)(C)C ZINC000872377326 641782175 /nfs/dbraw/zinc/78/21/75/641782175.db2.gz YUUUORDOCXASPW-WCQYABFASA-N 1 1 269.458 2.578 20 30 CFEDMO Clc1cc(N=NC2CCC[N@@H+]3CCSC[C@H]23)ccn1 ZINC000872388180 641786850 /nfs/dbraw/zinc/78/68/50/641786850.db2.gz KENHVUJBVINACV-GFCCVEGCSA-N 1 1 296.827 2.714 20 30 CFEDMO Clc1cc(N=NC2CCC[N@H+]3CCSC[C@H]23)ccn1 ZINC000872388180 641786858 /nfs/dbraw/zinc/78/68/58/641786858.db2.gz KENHVUJBVINACV-GFCCVEGCSA-N 1 1 296.827 2.714 20 30 CFEDMO C[C@@H]1CC(=NNC[C@@H]2CCCC2(F)F)C[N@@H+]1C1CC1 ZINC000872406657 641795924 /nfs/dbraw/zinc/79/59/24/641795924.db2.gz TUHMILXNPGHMTR-MNOVXSKESA-N 1 1 271.355 2.624 20 30 CFEDMO C[C@@H]1CC(=NNC[C@@H]2CCCC2(F)F)C[N@H+]1C1CC1 ZINC000872406657 641795933 /nfs/dbraw/zinc/79/59/33/641795933.db2.gz TUHMILXNPGHMTR-MNOVXSKESA-N 1 1 271.355 2.624 20 30 CFEDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1nc(C(C)(C)C)ccc1C#N ZINC000872780986 641935210 /nfs/dbraw/zinc/93/52/10/641935210.db2.gz OWOPUZYHZZVGAD-GJZGRUSLSA-N 1 1 298.434 2.924 20 30 CFEDMO C=CC[N@@H+](CCC1OCCO1)CC1CCCCC1 ZINC000124277611 641945846 /nfs/dbraw/zinc/94/58/46/641945846.db2.gz ILVPBBIAAAPPHU-UHFFFAOYSA-N 1 1 253.386 2.818 20 30 CFEDMO Cc1cccc(NCc2ccc(OCC#N)cc2)[nH+]1 ZINC000194074446 650716136 /nfs/dbraw/zinc/71/61/36/650716136.db2.gz HRAVQEVZVMMVRK-UHFFFAOYSA-N 1 1 253.305 2.905 20 30 CFEDMO N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@@H](N)c3ccccc31)C2 ZINC000873274943 642115536 /nfs/dbraw/zinc/11/55/36/642115536.db2.gz HXWYETFUOLPIIZ-LZQZEXGQSA-N 1 1 289.382 2.760 20 30 CFEDMO N#Cc1ccc2c(c1)C[C@H](N[C@H]1C[C@@H]([NH3+])c3ccccc31)C2 ZINC000873274943 642115539 /nfs/dbraw/zinc/11/55/39/642115539.db2.gz HXWYETFUOLPIIZ-LZQZEXGQSA-N 1 1 289.382 2.760 20 30 CFEDMO Cc1ccc(N(CCC#N)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000874246217 642355757 /nfs/dbraw/zinc/35/57/57/642355757.db2.gz BBGBCSUDMPONHQ-OAHLLOKOSA-N 1 1 285.391 2.584 20 30 CFEDMO C=CCC1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CCCC1 ZINC000874826716 642512452 /nfs/dbraw/zinc/51/24/52/642512452.db2.gz PKYVKAGBIVICGG-HUUCEWRRSA-N 1 1 276.424 2.818 20 30 CFEDMO C#C[C@H]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000874859263 642531146 /nfs/dbraw/zinc/53/11/46/642531146.db2.gz KGTCLRPEVWSNIG-KKUMJFAQSA-N 1 1 287.407 2.705 20 30 CFEDMO C#C[C@H]1CC[C@H](NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000874864348 642536138 /nfs/dbraw/zinc/53/61/38/642536138.db2.gz ADLVVNKMVOVZCL-QRJUGERDSA-N 1 1 276.424 2.556 20 30 CFEDMO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1C ZINC000874900625 642545853 /nfs/dbraw/zinc/54/58/53/642545853.db2.gz OMBZMKVCKVSNIL-HNNXBMFYSA-N 1 1 289.354 2.819 20 30 CFEDMO CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1C ZINC000874900625 642545855 /nfs/dbraw/zinc/54/58/55/642545855.db2.gz OMBZMKVCKVSNIL-HNNXBMFYSA-N 1 1 289.354 2.819 20 30 CFEDMO Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000874901305 642546973 /nfs/dbraw/zinc/54/69/73/642546973.db2.gz MMVBJEBFFBSRBD-HNNXBMFYSA-N 1 1 287.338 2.571 20 30 CFEDMO Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000874901305 642546977 /nfs/dbraw/zinc/54/69/77/642546977.db2.gz MMVBJEBFFBSRBD-HNNXBMFYSA-N 1 1 287.338 2.571 20 30 CFEDMO CCc1c(C)sc(NC(=O)Cn2c[nH+]cc2C)c1C#N ZINC000875298411 642604752 /nfs/dbraw/zinc/60/47/52/642604752.db2.gz XFQQHUXRTRNZRT-UHFFFAOYSA-N 1 1 288.376 2.634 20 30 CFEDMO C=C(Br)C[N@H+](C(C)C)C1CCOCC1 ZINC000125505022 642650567 /nfs/dbraw/zinc/65/05/67/642650567.db2.gz QPEZEPZMFHWOFB-UHFFFAOYSA-N 1 1 262.191 2.784 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000876566403 642926377 /nfs/dbraw/zinc/92/63/77/642926377.db2.gz IUYRAZCUXYVBLG-UONOGXRCSA-N 1 1 295.427 2.867 20 30 CFEDMO C#CCCCCCC[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000876624691 642949911 /nfs/dbraw/zinc/94/99/11/642949911.db2.gz PGDXLPKNCNNZEZ-UHFFFAOYSA-N 1 1 272.392 2.801 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000876634561 642952535 /nfs/dbraw/zinc/95/25/35/642952535.db2.gz VOCJKUVGWPPEGE-INIZCTEOSA-N 1 1 287.407 2.625 20 30 CFEDMO CCC[N@@H+](Cc1cc(C#N)ccc1N(C)C)CC(C)(C)O ZINC000876691951 642977048 /nfs/dbraw/zinc/97/70/48/642977048.db2.gz VDHGXFXGMWNRNZ-UHFFFAOYSA-N 1 1 289.423 2.607 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000876717382 642982650 /nfs/dbraw/zinc/98/26/50/642982650.db2.gz BMAMVBHFQHOBLC-STQMWFEESA-N 1 1 277.330 2.958 20 30 CFEDMO C#CCCCCCC[NH+]1CCN(CC2CCOCC2)CC1 ZINC000876730609 642986084 /nfs/dbraw/zinc/98/60/84/642986084.db2.gz HYJNPLMWLAMGOI-UHFFFAOYSA-N 1 1 292.467 2.614 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@H+](C)Cc1cccn1C ZINC000876757947 642997326 /nfs/dbraw/zinc/99/73/26/642997326.db2.gz CTSXUHXKWZXUHM-UHFFFAOYSA-N 1 1 282.391 2.595 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)Cc1cccn1C ZINC000876757947 642997330 /nfs/dbraw/zinc/99/73/30/642997330.db2.gz CTSXUHXKWZXUHM-UHFFFAOYSA-N 1 1 282.391 2.595 20 30 CFEDMO C[C@@H]1C[C@H](N(C)Cc2cc(C#N)cnc2Cl)CC[N@H+]1C ZINC000876764615 642999295 /nfs/dbraw/zinc/99/92/95/642999295.db2.gz NGSKWSSMSULYJT-BXUZGUMPSA-N 1 1 292.814 2.521 20 30 CFEDMO C#CCCCCCC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000876764025 642999612 /nfs/dbraw/zinc/99/96/12/642999612.db2.gz KEOIWUSSFFGVMK-HOTGVXAUSA-N 1 1 250.430 2.985 20 30 CFEDMO CCN(C)c1ccccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000877013092 643104577 /nfs/dbraw/zinc/10/45/77/643104577.db2.gz JOCHIGXORJLMMG-UHFFFAOYSA-N 1 1 280.375 2.699 20 30 CFEDMO C#CCOc1ccc(C[NH2+]Cc2ncccc2F)cc1 ZINC000126339431 643152669 /nfs/dbraw/zinc/15/26/69/643152669.db2.gz LXZYZQGSFNXSCH-UHFFFAOYSA-N 1 1 270.307 2.523 20 30 CFEDMO C[C@H](CCC#N)C[NH2+]Cc1nc(-c2ccccc2)n[nH]1 ZINC000877150574 643179979 /nfs/dbraw/zinc/17/99/79/643179979.db2.gz WMFZFWNYQUJTPD-GFCCVEGCSA-N 1 1 269.352 2.501 20 30 CFEDMO C[C@H]1C[C@H](Nc2ccc(F)cc2OCC#N)CC[N@H+]1C ZINC000877176672 643190200 /nfs/dbraw/zinc/19/02/00/643190200.db2.gz OUCGLEXWOWAUPS-WCQYABFASA-N 1 1 277.343 2.623 20 30 CFEDMO N#Cc1cnc(Cl)c(C[NH+]2CCC(CCCO)CC2)c1 ZINC000877194923 643198469 /nfs/dbraw/zinc/19/84/69/643198469.db2.gz XTZRBAAHIIYHDR-UHFFFAOYSA-N 1 1 293.798 2.591 20 30 CFEDMO C#CCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000245719296 650831280 /nfs/dbraw/zinc/83/12/80/650831280.db2.gz DEIJZBHBAKYXNP-PKOBYXMFSA-N 1 1 298.430 2.615 20 30 CFEDMO C#CCOc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000245719296 650831288 /nfs/dbraw/zinc/83/12/88/650831288.db2.gz DEIJZBHBAKYXNP-PKOBYXMFSA-N 1 1 298.430 2.615 20 30 CFEDMO C#CCOc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000245719296 650831290 /nfs/dbraw/zinc/83/12/90/650831290.db2.gz DEIJZBHBAKYXNP-PKOBYXMFSA-N 1 1 298.430 2.615 20 30 CFEDMO C#CCCCCCC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000877424116 643265194 /nfs/dbraw/zinc/26/51/94/643265194.db2.gz GIRYIGOOQYGMJG-AWEZNQCLSA-N 1 1 266.429 2.805 20 30 CFEDMO C=CC[N@H+](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000877426478 643266742 /nfs/dbraw/zinc/26/67/42/643266742.db2.gz NFJNJYMPFJNLNG-GFCCVEGCSA-N 1 1 254.374 2.504 20 30 CFEDMO C[C@@H]1CCSCC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877474481 643291513 /nfs/dbraw/zinc/29/15/13/643291513.db2.gz XOBQNBBATADCMG-SNVBAGLBSA-N 1 1 281.812 2.934 20 30 CFEDMO C[C@@H]1CCSCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877474481 643291517 /nfs/dbraw/zinc/29/15/17/643291517.db2.gz XOBQNBBATADCMG-SNVBAGLBSA-N 1 1 281.812 2.934 20 30 CFEDMO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877486408 643302399 /nfs/dbraw/zinc/30/23/99/643302399.db2.gz MDELVVQZPCQLJJ-BXUZGUMPSA-N 1 1 293.798 2.732 20 30 CFEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877486408 643302404 /nfs/dbraw/zinc/30/24/04/643302404.db2.gz MDELVVQZPCQLJJ-BXUZGUMPSA-N 1 1 293.798 2.732 20 30 CFEDMO CC1=CCC[N@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877496214 643309050 /nfs/dbraw/zinc/30/90/50/643309050.db2.gz OQJPTVKIRIDCKY-UHFFFAOYSA-N 1 1 255.365 2.776 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCC=C(Br)C1 ZINC000877500730 643309276 /nfs/dbraw/zinc/30/92/76/643309276.db2.gz IGTHGYDHXBLKLA-SNVBAGLBSA-N 1 1 257.175 2.911 20 30 CFEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000877500094 643311864 /nfs/dbraw/zinc/31/18/64/643311864.db2.gz BQZJGUZYMXIIEH-ZDUSSCGKSA-N 1 1 298.777 2.991 20 30 CFEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@H](c3ccccn3)C2)c1 ZINC000877500094 643311868 /nfs/dbraw/zinc/31/18/68/643311868.db2.gz BQZJGUZYMXIIEH-ZDUSSCGKSA-N 1 1 298.777 2.991 20 30 CFEDMO CC[N@@H+](C[C@@H](C)CCC#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000877505180 643315616 /nfs/dbraw/zinc/31/56/16/643315616.db2.gz AOYNKGVQRCJXCQ-ZDUSSCGKSA-N 1 1 295.427 2.867 20 30 CFEDMO C#C[C@H](C)[NH2+]Cc1cc(OC)c(Br)cc1F ZINC000877514008 643319857 /nfs/dbraw/zinc/31/98/57/643319857.db2.gz GCTOIUJFBGETHY-QMMMGPOBSA-N 1 1 286.144 2.708 20 30 CFEDMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1C[C@@H](C)CCC#N ZINC000877521798 643326727 /nfs/dbraw/zinc/32/67/27/643326727.db2.gz HLADKOWTJTUWEA-LSDHHAIUSA-N 1 1 295.427 2.869 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877542532 643345434 /nfs/dbraw/zinc/34/54/34/643345434.db2.gz OVFOPKJAVSNJIV-GFCCVEGCSA-N 1 1 294.830 2.817 20 30 CFEDMO C#CCCCCCC[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000877542732 643345544 /nfs/dbraw/zinc/34/55/44/643345544.db2.gz WNGSFLQYMAHCCL-ZDUSSCGKSA-N 1 1 259.340 2.520 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000877548548 643350048 /nfs/dbraw/zinc/35/00/48/643350048.db2.gz LXGGGTDUGFHCIP-AWEZNQCLSA-N 1 1 295.390 2.565 20 30 CFEDMO C=CCC[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)C(=O)OCC ZINC000877573320 643372023 /nfs/dbraw/zinc/37/20/23/643372023.db2.gz XTTZQLZDOZBOIH-LSDHHAIUSA-N 1 1 295.423 2.966 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000877579237 643376648 /nfs/dbraw/zinc/37/66/48/643376648.db2.gz PDYXBMSBHAKTPL-CJNGLKHVSA-N 1 1 280.412 2.980 20 30 CFEDMO Cc1c(C[NH2+]CC2(C#N)CCC2)cccc1[N+](=O)[O-] ZINC000877594282 643386693 /nfs/dbraw/zinc/38/66/93/643386693.db2.gz DHLZSUYYXZRLAG-UHFFFAOYSA-N 1 1 259.309 2.687 20 30 CFEDMO C#CCCCCCC[N@@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000877592645 643386815 /nfs/dbraw/zinc/38/68/15/643386815.db2.gz RGAGVNBPTHPKFH-HNNXBMFYSA-N 1 1 264.413 2.559 20 30 CFEDMO CC[C@H](C)[C@@H](C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1)OC ZINC000877610428 643397125 /nfs/dbraw/zinc/39/71/25/643397125.db2.gz VMRXQIIRNPNLDN-IAOVAPTHSA-N 1 1 290.407 2.585 20 30 CFEDMO C[C@@H]([NH2+]C[C@@H](C)CCC#N)C(=O)OCc1ccccc1 ZINC000877616801 643402627 /nfs/dbraw/zinc/40/26/27/643402627.db2.gz NUTLGOWPLWLBNH-UONOGXRCSA-N 1 1 274.364 2.648 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000877622635 643408818 /nfs/dbraw/zinc/40/88/18/643408818.db2.gz ROCBJCNEOAPFPA-GOSISDBHSA-N 1 1 299.418 2.625 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000877622635 643408822 /nfs/dbraw/zinc/40/88/22/643408822.db2.gz ROCBJCNEOAPFPA-GOSISDBHSA-N 1 1 299.418 2.625 20 30 CFEDMO C#CCCCCCC[N@@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000877636474 643419946 /nfs/dbraw/zinc/41/99/46/643419946.db2.gz YEHMZCIFKPWKTK-LSDHHAIUSA-N 1 1 265.397 2.701 20 30 CFEDMO Cc1cc(CN2CC[N@H+](C)C(C)(C)CC2)ccc1C#N ZINC000877700412 643463500 /nfs/dbraw/zinc/46/35/00/643463500.db2.gz BAEHBYKDIABGDE-UHFFFAOYSA-N 1 1 271.408 2.783 20 30 CFEDMO Cc1nc(C)c(C[N@@H+](C)CCc2cccc(C#N)c2)o1 ZINC000877704137 643470504 /nfs/dbraw/zinc/47/05/04/643470504.db2.gz DNCJIVUPOZNSID-UHFFFAOYSA-N 1 1 269.348 2.838 20 30 CFEDMO CCc1nn(C)cc1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000877704522 643470640 /nfs/dbraw/zinc/47/06/40/643470640.db2.gz PVMRIPZXLBGONN-UHFFFAOYSA-N 1 1 282.391 2.529 20 30 CFEDMO CC1(C)C[C@H](O)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000877752517 643530766 /nfs/dbraw/zinc/53/07/66/643530766.db2.gz QRFMJMDQZRCLHI-INIZCTEOSA-N 1 1 284.403 2.835 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)cc1 ZINC000877753956 643532998 /nfs/dbraw/zinc/53/29/98/643532998.db2.gz VNZHACGADVVKII-ZFWWWQNUSA-N 1 1 288.391 2.570 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)cc1 ZINC000877797240 643564754 /nfs/dbraw/zinc/56/47/54/643564754.db2.gz RIJGUCLZEJWRPD-INIZCTEOSA-N 1 1 257.377 2.651 20 30 CFEDMO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ncc(Cl)s1 ZINC000877807025 643569191 /nfs/dbraw/zinc/56/91/91/643569191.db2.gz NIEVXUWZDQBZOE-JTQLQIEISA-N 1 1 299.827 2.985 20 30 CFEDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)n1 ZINC000877813298 643577993 /nfs/dbraw/zinc/57/79/93/643577993.db2.gz KNXRLHIBZLRRLO-NSHDSACASA-N 1 1 273.361 2.906 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](CCC(=O)OC)C2)cc1 ZINC000877818845 643583677 /nfs/dbraw/zinc/58/36/77/643583677.db2.gz QHFYRYJTGGSNRL-MRXNPFEDSA-N 1 1 285.387 2.833 20 30 CFEDMO C=CC[C@@H](C)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000877931144 643648464 /nfs/dbraw/zinc/64/84/64/643648464.db2.gz ZHHQORBYTRWUCF-OAHLLOKOSA-N 1 1 272.392 2.799 20 30 CFEDMO C=CC[C@H](C)[N@@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000877946409 643657487 /nfs/dbraw/zinc/65/74/87/643657487.db2.gz XFBWLUGWHJPBMB-ZDUSSCGKSA-N 1 1 276.380 2.920 20 30 CFEDMO C=CC[C@H](C)[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000877960044 643664708 /nfs/dbraw/zinc/66/47/08/643664708.db2.gz YSBRBZPXULYHOP-NSHDSACASA-N 1 1 250.308 2.521 20 30 CFEDMO COc1ccc(N2CCC[N@@H+](CC3(CC#N)CC3)CC2)cc1 ZINC000877984057 643679921 /nfs/dbraw/zinc/67/99/21/643679921.db2.gz XJQAXWHNBCQGRA-UHFFFAOYSA-N 1 1 299.418 2.901 20 30 CFEDMO CC(=O)[C@](C#N)(CC[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000878015991 643695086 /nfs/dbraw/zinc/69/50/86/643695086.db2.gz GUMJYMFDMVEEFB-GOSISDBHSA-N 1 1 295.386 2.663 20 30 CFEDMO C#CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000878036152 643705106 /nfs/dbraw/zinc/70/51/06/643705106.db2.gz JENMLYASHPJXAA-INIZCTEOSA-N 1 1 278.440 2.664 20 30 CFEDMO C=CC[C@H](C)[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000878049121 643713264 /nfs/dbraw/zinc/71/32/64/643713264.db2.gz ZQUVDGKDSZPBIL-JTQLQIEISA-N 1 1 261.291 2.842 20 30 CFEDMO C#CCCCCC[N@@H+]1Cc2ccc(C(=O)OC)cc2C1 ZINC000878081727 643724462 /nfs/dbraw/zinc/72/44/62/643724462.db2.gz HOXLEFLXNRUSRR-UHFFFAOYSA-N 1 1 271.360 2.982 20 30 CFEDMO C#CCCCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000878082666 643726404 /nfs/dbraw/zinc/72/64/04/643726404.db2.gz DWHKMFHGJLGJPE-CQSZACIVSA-N 1 1 280.412 2.779 20 30 CFEDMO C=CC[C@@H](C)[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000878115340 643743007 /nfs/dbraw/zinc/74/30/07/643743007.db2.gz AAIWUJBBDPGEHZ-ZIAGYGMSSA-N 1 1 270.380 2.873 20 30 CFEDMO C#Cc1cccc(NC(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000878117343 643744828 /nfs/dbraw/zinc/74/48/28/643744828.db2.gz XMBQFIBLZAPVFQ-UHFFFAOYSA-N 1 1 285.391 2.664 20 30 CFEDMO 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C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccccc2Cl)C1 ZINC001016066160 651222847 /nfs/dbraw/zinc/22/28/47/651222847.db2.gz LRYKWYRSCRGAHN-GFCCVEGCSA-N 1 1 278.783 2.720 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C1 ZINC001016075653 651223295 /nfs/dbraw/zinc/22/32/95/651223295.db2.gz UUIBITBNUZFLNO-LLVKDONJSA-N 1 1 299.201 2.984 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001016083592 651224201 /nfs/dbraw/zinc/22/42/01/651224201.db2.gz SVVDLRUMNDHJMF-QGZVFWFLSA-N 1 1 284.403 2.637 20 30 CFEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)cc2)C1 ZINC001016083592 651224204 /nfs/dbraw/zinc/22/42/04/651224204.db2.gz SVVDLRUMNDHJMF-QGZVFWFLSA-N 1 1 284.403 2.637 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001016130078 651224922 /nfs/dbraw/zinc/22/49/22/651224922.db2.gz UXDUTOOQMYLIIN-INIZCTEOSA-N 1 1 288.435 2.561 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(F)F)o2)C1 ZINC001016122523 651225200 /nfs/dbraw/zinc/22/52/00/651225200.db2.gz 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288.435 2.818 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C2CC2)CCC1 ZINC001017774021 651257256 /nfs/dbraw/zinc/25/72/56/651257256.db2.gz WKFBTQFCHITUSM-IYBDPMFKSA-N 1 1 288.435 2.818 20 30 CFEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCC1 ZINC001017778823 651257260 /nfs/dbraw/zinc/25/72/60/651257260.db2.gz RVYBKGRPSSTXQP-GASCZTMLSA-N 1 1 276.424 2.818 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CCCC1 ZINC001017778823 651257261 /nfs/dbraw/zinc/25/72/61/651257261.db2.gz RVYBKGRPSSTXQP-GASCZTMLSA-N 1 1 276.424 2.818 20 30 CFEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CCCC1 ZINC001017843987 651259542 /nfs/dbraw/zinc/25/95/42/651259542.db2.gz JYSQFWHTWIGFDD-BETUJISGSA-N 1 1 298.377 2.673 20 30 CFEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CCCC1 ZINC001017843987 651259545 /nfs/dbraw/zinc/25/95/45/651259545.db2.gz JYSQFWHTWIGFDD-BETUJISGSA-N 1 1 298.377 2.673 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@]1(C)CC 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C=CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CCc3ccccc32)[C@H]1C ZINC001089070219 778986433 /nfs/dbraw/zinc/98/64/33/778986433.db2.gz TWVJNNXHIDMSII-DKSSEZFCSA-N 1 1 298.430 2.656 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC001089071915 778987740 /nfs/dbraw/zinc/98/77/40/778987740.db2.gz AEQTYNBEVLFHTB-MNOVXSKESA-N 1 1 282.384 2.656 20 30 CFEDMO CCCCCCC/C=C/C[N@H+]1C[C@H]2C[C@@]2(C(N)=O)C1 ZINC001278036549 778989611 /nfs/dbraw/zinc/98/96/11/778989611.db2.gz AIDUBSDZUNIZRL-MOIGAOQCSA-N 1 1 264.413 2.710 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2coc3ccccc23)[C@H]1C ZINC001089075886 778990337 /nfs/dbraw/zinc/99/03/37/778990337.db2.gz YJSRYVUFKVDHAW-DOMZBBRYSA-N 1 1 284.359 2.811 20 30 CFEDMO CC[N@H+](Cc1ccncc1)Cc1ccc(C#N)cc1O ZINC001233383548 779037705 /nfs/dbraw/zinc/03/77/05/779037705.db2.gz MERBEXSJMBMDHI-UHFFFAOYSA-N 1 1 267.332 2.681 20 30 CFEDMO CC[N@@H+](Cc1ccncc1)Cc1ccc(C#N)cc1O ZINC001233383548 779037712 /nfs/dbraw/zinc/03/77/12/779037712.db2.gz MERBEXSJMBMDHI-UHFFFAOYSA-N 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C=C(C)CN1CC[C@@]2(CC[N@H+](CCC(C)C)C2)C1=O ZINC001272454501 779105613 /nfs/dbraw/zinc/10/56/13/779105613.db2.gz SUMZOJNYBYIMJS-MRXNPFEDSA-N 1 1 264.413 2.533 20 30 CFEDMO C=C(C)CN1CC[C@]2(CCC[N@H+](CCC)CC2)C1=O ZINC001272456149 779106444 /nfs/dbraw/zinc/10/64/44/779106444.db2.gz CJWCUXFZRSMOCS-MRXNPFEDSA-N 1 1 264.413 2.677 20 30 CFEDMO Cn1cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237465438 779113956 /nfs/dbraw/zinc/11/39/56/779113956.db2.gz IAXLBUNMGUXTDS-BETUJISGSA-N 1 1 251.333 2.502 20 30 CFEDMO COC[C@H]1CCC[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237464490 779114128 /nfs/dbraw/zinc/11/41/28/779114128.db2.gz DXEYQVAOGQJXLG-OAHLLOKOSA-N 1 1 283.375 2.661 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@@H](C(=O)c3ccccc3)C2)ccn1 ZINC001237465100 779114323 /nfs/dbraw/zinc/11/43/23/779114323.db2.gz XJSOSHFBNXPUKB-MRXNPFEDSA-N 1 1 291.354 2.658 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](C(=O)c3ccccc3)C2)ccn1 ZINC001237465100 779114326 /nfs/dbraw/zinc/11/43/26/779114326.db2.gz XJSOSHFBNXPUKB-MRXNPFEDSA-N 1 1 291.354 2.658 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)CC[C@@H]1O ZINC001237467065 779114740 /nfs/dbraw/zinc/11/47/40/779114740.db2.gz RJWWWLJDRQZGHY-UGSOOPFHSA-N 1 1 297.402 2.643 20 30 CFEDMO Cn1cc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c2cc(C#N)ccc21 ZINC001237473892 779116367 /nfs/dbraw/zinc/11/63/67/779116367.db2.gz YEFYHSNIDJUQSA-KSSFIOAISA-N 1 1 295.386 2.661 20 30 CFEDMO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCCCC ZINC001272475233 779118550 /nfs/dbraw/zinc/11/85/50/779118550.db2.gz CEHNFWXDCBVELA-KRWDZBQOSA-N 1 1 276.424 2.657 20 30 CFEDMO CCCCCC[N@H+]1CC[C@]2(CCN(CCCC#N)C2=O)C1 ZINC001272475403 779119545 /nfs/dbraw/zinc/11/95/45/779119545.db2.gz DQKBZORZWKXVQO-KRWDZBQOSA-N 1 1 291.439 2.795 20 30 CFEDMO C#CCN1CC[C@@]2(CCC[N@H+](CCCCCC)CC2)C1=O ZINC001272476158 779119561 /nfs/dbraw/zinc/11/95/61/779119561.db2.gz JFZZTAHMYFQAAS-SFHVURJKSA-N 1 1 290.451 2.905 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c(F)cc1F ZINC001237524320 779126081 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C=C(C)CC[N@H+]1CC[C@@H](NC(C)=O)CC(C)(C)C1 ZINC001089287664 779134813 /nfs/dbraw/zinc/13/48/13/779134813.db2.gz KJUDPGJWPGTVFV-CQSZACIVSA-N 1 1 252.402 2.579 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C2CC2)CC(C)(C)C1 ZINC001089291848 779137327 /nfs/dbraw/zinc/13/73/27/779137327.db2.gz YQIGRGPGOQFTCC-CYBMUJFWSA-N 1 1 284.831 2.756 20 30 CFEDMO CC(C)C[C@@H](C)C[N@H+]1CC[C@H]1CN(C)C(=O)C#CC1CC1 ZINC001234178248 779144127 /nfs/dbraw/zinc/14/41/27/779144127.db2.gz JWEUCTCXLDMOOP-WBVHZDCISA-N 1 1 290.451 2.615 20 30 CFEDMO C=CC[N@@H+](Cc1cn2cc(C#N)ccc2n1)C(C)(C)C ZINC001237616678 779144436 /nfs/dbraw/zinc/14/44/36/779144436.db2.gz DXBCJLQNHCRJLO-UHFFFAOYSA-N 1 1 268.364 2.992 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C2CCCC2)CC(C)(C)C1 ZINC001089298645 779145329 /nfs/dbraw/zinc/14/53/29/779145329.db2.gz LYWHOTHWJBURQP-INIZCTEOSA-N 1 1 290.451 2.807 20 30 CFEDMO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CC1CCCC1 ZINC001272498804 779145970 /nfs/dbraw/zinc/14/59/70/779145970.db2.gz 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CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001034166423 780914385 /nfs/dbraw/zinc/91/43/85/780914385.db2.gz TYIFCSDHOFHZFQ-OAHLLOKOSA-N 1 1 288.391 2.504 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001034167331 780914481 /nfs/dbraw/zinc/91/44/81/780914481.db2.gz JTDCGDFJJJSMJO-OLZOCXBDSA-N 1 1 284.831 2.756 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001034167331 780914488 /nfs/dbraw/zinc/91/44/88/780914488.db2.gz JTDCGDFJJJSMJO-OLZOCXBDSA-N 1 1 284.831 2.756 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2[nH]ccc2C)C1 ZINC001034186298 780917629 /nfs/dbraw/zinc/91/76/29/780917629.db2.gz DCUOEFCFZRVKCI-OAHLLOKOSA-N 1 1 289.423 2.874 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001034188714 780918672 /nfs/dbraw/zinc/91/86/72/780918672.db2.gz WHVXZRZPUJTSEJ-LBPRGKRZSA-N 1 1 294.782 2.541 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034202859 780919692 /nfs/dbraw/zinc/91/96/92/780919692.db2.gz 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ZINC001034266069 780935538 /nfs/dbraw/zinc/93/55/38/780935538.db2.gz NDEVPOQPUCIERU-IRXDYDNUSA-N 1 1 288.435 2.727 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccnc(C3CC3)c2)C1 ZINC001034296869 780940965 /nfs/dbraw/zinc/94/09/65/780940965.db2.gz OMOXIYRUNDDXFB-MRXNPFEDSA-N 1 1 299.418 2.729 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001034301582 780942068 /nfs/dbraw/zinc/94/20/68/780942068.db2.gz JMGDQVVANBHQIM-ARFHVFGLSA-N 1 1 290.451 2.663 20 30 CFEDMO C#Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](CCC)C2)cc1 ZINC001034345297 780952192 /nfs/dbraw/zinc/95/21/92/780952192.db2.gz QLDIBBCOLFSUHK-QGZVFWFLSA-N 1 1 284.403 2.662 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034352938 780955758 /nfs/dbraw/zinc/95/57/58/780955758.db2.gz FKQPCRQZAOHAQU-CABCVRRESA-N 1 1 278.440 2.969 20 30 CFEDMO C=C1CCC(C(=O)N[C@H]2CCCC[N@@H+](CCF)C2)CC1 ZINC001034382256 780960826 /nfs/dbraw/zinc/96/08/26/780960826.db2.gz QDGFBYIFNCJKGV-HNNXBMFYSA-N 1 1 282.403 2.673 20 30 CFEDMO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](CCF)C2)CC1 ZINC001034382256 780960828 /nfs/dbraw/zinc/96/08/28/780960828.db2.gz QDGFBYIFNCJKGV-HNNXBMFYSA-N 1 1 282.403 2.673 20 30 CFEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@H+](CCC)C2)C1 ZINC001034383812 780961118 /nfs/dbraw/zinc/96/11/18/780961118.db2.gz BHOYLZYUGBNFJU-CQSZACIVSA-N 1 1 264.413 2.723 20 30 CFEDMO C=C1CC(C)(C(=O)N[C@@H]2CCCC[N@@H+](CCCF)C2)C1 ZINC001034388272 780962913 /nfs/dbraw/zinc/96/29/13/780962913.db2.gz CZZPTAVZLMXTJM-CQSZACIVSA-N 1 1 282.403 2.673 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@]23C[C@@H]2CCCC3)C1 ZINC001034388580 780963506 /nfs/dbraw/zinc/96/35/06/780963506.db2.gz HNOPIRAFQOHJTN-BQFCYCMXSA-N 1 1 288.435 2.561 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001034409297 780965497 /nfs/dbraw/zinc/96/54/97/780965497.db2.gz RJNSPMWOFZAVTM-MGPQQGTHSA-N 1 1 284.831 2.756 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001034409297 780965500 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C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001034483993 780985513 /nfs/dbraw/zinc/98/55/13/780985513.db2.gz PMHANLUYMKUBED-INIZCTEOSA-N 1 1 290.451 2.969 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC001034504960 780988579 /nfs/dbraw/zinc/98/85/79/780988579.db2.gz BJUQLHQVUFVEQB-MRXNPFEDSA-N 1 1 272.392 2.765 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034499923 780989937 /nfs/dbraw/zinc/98/99/37/780989937.db2.gz XUBJIQPVYCQQFD-ULQDDVLXSA-N 1 1 290.451 2.807 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001034518557 780993223 /nfs/dbraw/zinc/99/32/23/780993223.db2.gz KTHPKJLELAIJMD-QGZVFWFLSA-N 1 1 298.430 2.911 20 30 CFEDMO C=C[C@@H](CC)CC(=O)NC[C@@]1(C)C[N@@H+](CCCC)CCO1 ZINC001108151827 781052297 /nfs/dbraw/zinc/05/22/97/781052297.db2.gz UZDQSTIVJRULAG-RDJZCZTQSA-N 1 1 296.455 2.596 20 30 CFEDMO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C1CCC1)CC2 ZINC001035147268 781113718 /nfs/dbraw/zinc/11/37/18/781113718.db2.gz FWANQJJTSKMNLP-UHFFFAOYSA-N 1 1 276.424 2.677 20 30 CFEDMO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)c1cccc(C)c1)CC2 ZINC001035155990 781118093 /nfs/dbraw/zinc/11/80/93/781118093.db2.gz HWBBCLMWCIEWNI-UHFFFAOYSA-N 1 1 296.414 2.556 20 30 CFEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](C)C1CC1)CC2 ZINC001035175212 781123498 /nfs/dbraw/zinc/12/34/98/781123498.db2.gz SJRXGUSLLAHMQR-AWEZNQCLSA-N 1 1 276.424 2.533 20 30 CFEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1C[C@@H]1C)CC2 ZINC001035222092 781129785 /nfs/dbraw/zinc/12/97/85/781129785.db2.gz XTGFASJKIAECTE-LSDHHAIUSA-N 1 1 276.424 2.533 20 30 CFEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C1(C(C)C)CC1)CC2 ZINC001035226872 781130678 /nfs/dbraw/zinc/13/06/78/781130678.db2.gz NZNPOOKCVVVZOO-UHFFFAOYSA-N 1 1 290.451 2.923 20 30 CFEDMO C#Cc1ccc(C(=O)N2CCC3(CC[N@H+](CC)C3)CC2)cc1 ZINC001035212180 781131095 /nfs/dbraw/zinc/13/10/95/781131095.db2.gz CCAZOCDGMGIHDS-UHFFFAOYSA-N 1 1 296.414 2.616 20 30 CFEDMO C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CC1(C)CC1)CC2 ZINC001035208221 781131207 /nfs/dbraw/zinc/13/12/07/781131207.db2.gz BPXDCHNZODTTRL-UHFFFAOYSA-N 1 1 288.435 2.514 20 30 CFEDMO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H](F)CC)CC2 ZINC001035217243 781132092 /nfs/dbraw/zinc/13/20/92/781132092.db2.gz BXLNORRAGQEIGV-AWEZNQCLSA-N 1 1 282.403 2.625 20 30 CFEDMO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)C(C)(C)C)CC2 ZINC001035249603 781133336 /nfs/dbraw/zinc/13/33/36/781133336.db2.gz SGEBMRWSTQQWHZ-UHFFFAOYSA-N 1 1 278.440 2.923 20 30 CFEDMO C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC13CCC3)CC2 ZINC001035232142 781133775 /nfs/dbraw/zinc/13/37/75/781133775.db2.gz YPLVXXIHQBQKJY-OAHLLOKOSA-N 1 1 288.435 2.677 20 30 CFEDMO CC#Cc1cncc(-c2ccccc2C[NH+]2CCOCC2)c1 ZINC001241995299 781222409 /nfs/dbraw/zinc/22/24/09/781222409.db2.gz NSJOBDBCEHLWEI-UHFFFAOYSA-N 1 1 292.382 2.952 20 30 CFEDMO Cc1cc(N)[nH+]cc1-c1cc(C(F)(F)F)cc(C#N)n1 ZINC001242072120 781264800 /nfs/dbraw/zinc/26/48/00/781264800.db2.gz CASXOCJQYNHJBF-UHFFFAOYSA-N 1 1 278.237 2.925 20 30 CFEDMO COc1c(C#N)c(F)ccc1-c1c[nH+]c(N)cc1C ZINC001242096153 781278334 /nfs/dbraw/zinc/27/83/34/781278334.db2.gz BASYUSLCYOJTOT-UHFFFAOYSA-N 1 1 257.268 2.659 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CCC)CC[C@H]21 ZINC001036618230 781299409 /nfs/dbraw/zinc/29/94/09/781299409.db2.gz XMPHFADWAXVDSV-LSDHHAIUSA-N 1 1 264.413 2.676 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC)CC[C@H]21 ZINC001036618229 781299539 /nfs/dbraw/zinc/29/95/39/781299539.db2.gz XMPHFADWAXVDSV-HUUCEWRRSA-N 1 1 264.413 2.676 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3CCC3)CC[C@H]21 ZINC001036619526 781299728 /nfs/dbraw/zinc/29/97/28/781299728.db2.gz RNXUKOHVDCTHPA-JKSUJKDBSA-N 1 1 276.424 2.676 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3sccc3C)CC[C@@H]21 ZINC001036619532 781299870 /nfs/dbraw/zinc/29/98/70/781299870.db2.gz RPNYMMFYQFHUEF-KGLIPLIRSA-N 1 1 290.432 2.779 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3ccccn3)CC[C@H]21 ZINC001036623839 781307261 /nfs/dbraw/zinc/30/72/61/781307261.db2.gz 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MVEMBKMZSUKEMW-ZFWWWQNUSA-N 1 1 261.413 2.533 20 30 CFEDMO CCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000595097173 349581321 /nfs/dbraw/zinc/58/13/21/349581321.db2.gz RKNRYSFJHNJNBE-DOMZBBRYSA-N 1 1 275.371 2.832 20 30 CFEDMO CCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000595097173 349581326 /nfs/dbraw/zinc/58/13/26/349581326.db2.gz RKNRYSFJHNJNBE-DOMZBBRYSA-N 1 1 275.371 2.832 20 30 CFEDMO CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000125309756 187178940 /nfs/dbraw/zinc/17/89/40/187178940.db2.gz RWGWPGYSZUOULX-QWHCGFSZSA-N 1 1 271.364 2.617 20 30 CFEDMO CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000125345532 187180367 /nfs/dbraw/zinc/18/03/67/187180367.db2.gz XALSLAZGWWRPCM-CYBMUJFWSA-N 1 1 271.364 2.619 20 30 CFEDMO CC1(C)C[N@@H+](CCc2ccc(C#N)cc2)CCCO1 ZINC000595317799 349601159 /nfs/dbraw/zinc/60/11/59/349601159.db2.gz DVGBPAGIJCLGNA-UHFFFAOYSA-N 1 1 258.365 2.602 20 30 CFEDMO C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)C[C@H](C)S1 ZINC000595328212 349602588 /nfs/dbraw/zinc/60/25/88/349602588.db2.gz XFEFDBKBRYFJGI-BETUJISGSA-N 1 1 260.406 2.927 20 30 CFEDMO C=C(C)C[N@@H+](CC)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000595290468 349592309 /nfs/dbraw/zinc/59/23/09/349592309.db2.gz CFQVKBZGLROBGH-UHFFFAOYSA-N 1 1 287.363 2.748 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1nc2cc(C(=O)OC)ccc2[nH]1 ZINC000595290468 349592312 /nfs/dbraw/zinc/59/23/12/349592312.db2.gz CFQVKBZGLROBGH-UHFFFAOYSA-N 1 1 287.363 2.748 20 30 CFEDMO C[N@@H+](CC1CC1)C[C@H]1CCN([C@H](C#N)c2ccccc2)C1 ZINC000595334071 349604461 /nfs/dbraw/zinc/60/44/61/349604461.db2.gz VQLFHOYRWNXGDE-SJLPKXTDSA-N 1 1 283.419 2.915 20 30 CFEDMO C[C@H](C#N)C[N@H+](C)CCc1ccc2c(c1)OC(F)(F)O2 ZINC000595301578 349597250 /nfs/dbraw/zinc/59/72/50/349597250.db2.gz LOHHBQAQUYNICO-SNVBAGLBSA-N 1 1 282.290 2.642 20 30 CFEDMO C[C@H](C#N)C[N@@H+](C)CCc1ccc2c(c1)OC(F)(F)O2 ZINC000595301578 349597251 /nfs/dbraw/zinc/59/72/51/349597251.db2.gz LOHHBQAQUYNICO-SNVBAGLBSA-N 1 1 282.290 2.642 20 30 CFEDMO CCN1CC[C@H]([N@H+](C)CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595346841 349607550 /nfs/dbraw/zinc/60/75/50/349607550.db2.gz MGYLJZRVSAFPIR-YJBOKZPZSA-N 1 1 285.435 2.905 20 30 CFEDMO CCN1CC[C@H]([N@@H+](C)CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595346841 349607555 /nfs/dbraw/zinc/60/75/55/349607555.db2.gz MGYLJZRVSAFPIR-YJBOKZPZSA-N 1 1 285.435 2.905 20 30 CFEDMO COc1ccc(C[N@@H+](C)CCc2ccc(C#N)cc2)cc1O ZINC000595339424 349605077 /nfs/dbraw/zinc/60/50/77/349605077.db2.gz OLWRWRSGYGHSKF-UHFFFAOYSA-N 1 1 296.370 2.947 20 30 CFEDMO CCN1CC[C@@H]([N@H+](C)CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595375847 349612114 /nfs/dbraw/zinc/61/21/14/349612114.db2.gz FAKHJLLJVFLCDR-MAUKXSAKSA-N 1 1 285.435 2.763 20 30 CFEDMO CCN1CC[C@@H]([N@@H+](C)CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595375847 349612116 /nfs/dbraw/zinc/61/21/16/349612116.db2.gz FAKHJLLJVFLCDR-MAUKXSAKSA-N 1 1 285.435 2.763 20 30 CFEDMO CC(C)(C)[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1O ZINC000595422127 349620660 /nfs/dbraw/zinc/62/06/60/349620660.db2.gz 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CFEDMO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623191 349680470 /nfs/dbraw/zinc/68/04/70/349680470.db2.gz JLTPHGYLIRVUTI-BFYDXBDKSA-N 1 1 272.392 2.777 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000595623499 349680580 /nfs/dbraw/zinc/68/05/80/349680580.db2.gz RTJIWMAILDJTNQ-UKRRQHHQSA-N 1 1 250.386 2.553 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@@H](CC#N)C2)C1 ZINC000595622467 349680612 /nfs/dbraw/zinc/68/06/12/349680612.db2.gz AYDCXHGRNQHLGH-XHSDSOJGSA-N 1 1 263.429 2.590 20 30 CFEDMO CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595621927 349680938 /nfs/dbraw/zinc/68/09/38/349680938.db2.gz ZXXIBQHUOJFIRX-KBPBESRZSA-N 1 1 266.385 2.590 20 30 CFEDMO CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595621927 349680940 /nfs/dbraw/zinc/68/09/40/349680940.db2.gz ZXXIBQHUOJFIRX-KBPBESRZSA-N 1 1 266.385 2.590 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)co2)C1 ZINC000595661060 349693522 /nfs/dbraw/zinc/69/35/22/349693522.db2.gz XCNRPRKOACKSAY-GFCCVEGCSA-N 1 1 263.337 2.854 20 30 CFEDMO C[C@H]([NH2+]CCOc1cccc(C#N)c1)c1cscn1 ZINC000595666568 349693890 /nfs/dbraw/zinc/69/38/90/349693890.db2.gz BOLJXWJJGRQZQR-NSHDSACASA-N 1 1 273.361 2.744 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595689198 349701288 /nfs/dbraw/zinc/70/12/88/349701288.db2.gz NPXGBKIFUZMHJZ-RRQGHBQHSA-N 1 1 270.376 2.978 20 30 CFEDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000595671327 349695525 /nfs/dbraw/zinc/69/55/25/349695525.db2.gz PVDXTEMNNKDMFP-MLGOLLRUSA-N 1 1 276.355 2.680 20 30 CFEDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000595671326 349695851 /nfs/dbraw/zinc/69/58/51/349695851.db2.gz PVDXTEMNNKDMFP-LRDDRELGSA-N 1 1 276.355 2.680 20 30 CFEDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000595671986 349695977 /nfs/dbraw/zinc/69/59/77/349695977.db2.gz GYENMARJRVLGRX-WBMJQRKESA-N 1 1 276.355 2.680 20 30 CFEDMO C[C@H](CO)[C@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000595675592 349696917 /nfs/dbraw/zinc/69/69/17/349696917.db2.gz NMFCMCGNIRHIEI-ZIAGYGMSSA-N 1 1 252.402 2.799 20 30 CFEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000595749125 349722421 /nfs/dbraw/zinc/72/24/21/349722421.db2.gz MAJIYMVMZZSMIE-GUDVDZBRSA-N 1 1 297.446 2.927 20 30 CFEDMO CN(CCc1ccccc1)[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000595749125 349722425 /nfs/dbraw/zinc/72/24/25/349722425.db2.gz MAJIYMVMZZSMIE-GUDVDZBRSA-N 1 1 297.446 2.927 20 30 CFEDMO CN(CCc1ccccc1)[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000595749125 349722429 /nfs/dbraw/zinc/72/24/29/349722429.db2.gz MAJIYMVMZZSMIE-GUDVDZBRSA-N 1 1 297.446 2.927 20 30 CFEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000595749123 349722608 /nfs/dbraw/zinc/72/26/08/349722608.db2.gz MAJIYMVMZZSMIE-CEXWTWQISA-N 1 1 297.446 2.927 20 30 CFEDMO CN(CCc1ccccc1)[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000595749123 349722611 /nfs/dbraw/zinc/72/26/11/349722611.db2.gz MAJIYMVMZZSMIE-CEXWTWQISA-N 1 1 297.446 2.927 20 30 CFEDMO CN(CCc1ccccc1)[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000595749123 349722613 /nfs/dbraw/zinc/72/26/13/349722613.db2.gz MAJIYMVMZZSMIE-CEXWTWQISA-N 1 1 297.446 2.927 20 30 CFEDMO CCC1(CC)CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000595750980 349722831 /nfs/dbraw/zinc/72/28/31/349722831.db2.gz BKBJCSOKBDFKRZ-INIZCTEOSA-N 1 1 293.455 2.943 20 30 CFEDMO CCC1(CC)CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)C1 ZINC000595753190 349723501 /nfs/dbraw/zinc/72/35/01/349723501.db2.gz RIDJOSYWXRTYMM-INIZCTEOSA-N 1 1 291.439 2.697 20 30 CFEDMO COc1ccc([C@H]2CCC[N@H+]2CCOCCC#N)cc1F ZINC000595752599 349724497 /nfs/dbraw/zinc/72/44/97/349724497.db2.gz NIEOIAOKQULHGM-OAHLLOKOSA-N 1 1 292.354 2.901 20 30 CFEDMO C[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)[C@H]1CCO ZINC000595703517 349710596 /nfs/dbraw/zinc/71/05/96/349710596.db2.gz TTWJQASOSIRQBS-LRDDRELGSA-N 1 1 276.355 2.680 20 30 CFEDMO N#CCCOCC[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000595731657 349719371 /nfs/dbraw/zinc/71/93/71/349719371.db2.gz BANYBPLJMBMRFY-OAHLLOKOSA-N 1 1 250.386 2.819 20 30 CFEDMO N#Cc1cccc(OCCC[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595808962 349736956 /nfs/dbraw/zinc/73/69/56/349736956.db2.gz PSVFGWIXPFKZDP-GJZGRUSLSA-N 1 1 256.349 2.669 20 30 CFEDMO CC[C@H](C(=O)N(C)C[C@@H](C)C#N)[N@@H+](C)Cc1ccccc1 ZINC000352776438 529590248 /nfs/dbraw/zinc/59/02/48/529590248.db2.gz SLMNBKJWSJUFCI-GOEBONIOSA-N 1 1 287.407 2.515 20 30 CFEDMO Cn1cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 ZINC000595811567 349737729 /nfs/dbraw/zinc/73/77/29/349737729.db2.gz VEJJBNXAYIFDBL-HZPDHXFCSA-N 1 1 292.386 2.801 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595830313 349744776 /nfs/dbraw/zinc/74/47/76/349744776.db2.gz KGTYVNKPSYYSIL-UHOFOFEASA-N 1 1 256.349 2.588 20 30 CFEDMO CCC(CC)CCC[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000595831806 349745704 /nfs/dbraw/zinc/74/57/04/349745704.db2.gz PALZCBLFRJHWTH-CQSZACIVSA-N 1 1 281.444 2.895 20 30 CFEDMO COc1cccc([C@@]2(C)CC[N@H+](CC3(C#N)CC3)C2)c1 ZINC000595769261 349728024 /nfs/dbraw/zinc/72/80/24/349728024.db2.gz UVFPVOQLBAOTNS-INIZCTEOSA-N 1 1 270.376 2.962 20 30 CFEDMO COc1cccc([C@@]2(C)CC[N@@H+](CC3(C#N)CC3)C2)c1 ZINC000595769261 349728028 /nfs/dbraw/zinc/72/80/28/349728028.db2.gz UVFPVOQLBAOTNS-INIZCTEOSA-N 1 1 270.376 2.962 20 30 CFEDMO N#Cc1cnccc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000595784658 349732936 /nfs/dbraw/zinc/73/29/36/349732936.db2.gz USYVMRYRSBSMGK-QGZVFWFLSA-N 1 1 285.391 2.734 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)nc1 ZINC000595787486 349733935 /nfs/dbraw/zinc/73/39/35/349733935.db2.gz JGFFCKBORGZGHK-NVXWUHKLSA-N 1 1 285.391 2.734 20 30 CFEDMO CC[N@@H+](CCCC#N)CCOc1ccccc1OC ZINC000595883852 349761104 /nfs/dbraw/zinc/76/11/04/349761104.db2.gz BJVILGIMJHBTCC-UHFFFAOYSA-N 1 1 262.353 2.700 20 30 CFEDMO Cc1cc(C[N@@H+](C)CC2=CCSC2)ccc1C#N ZINC000595887985 349761752 /nfs/dbraw/zinc/76/17/52/349761752.db2.gz KFHRXXUDQYYTFG-UHFFFAOYSA-N 1 1 258.390 2.972 20 30 CFEDMO C[N@@H+](C[C@H]1CC1(C)C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000595908605 349766816 /nfs/dbraw/zinc/76/68/16/349766816.db2.gz IUSVEIAWASTQRB-ZBFHGGJFSA-N 1 1 297.402 2.641 20 30 CFEDMO CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@](C)(C#N)C1 ZINC000595841372 349751520 /nfs/dbraw/zinc/75/15/20/349751520.db2.gz LBPDYVQGDTVZDP-HNNXBMFYSA-N 1 1 266.385 2.591 20 30 CFEDMO C[C@]1(C#N)CC[N@@H+](CCCCC2CCOCC2)C1 ZINC000595843781 349752818 /nfs/dbraw/zinc/75/28/18/349752818.db2.gz NLUYLOQTCATMNG-OAHLLOKOSA-N 1 1 250.386 2.819 20 30 CFEDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CC#Cc2cccc(Cl)c2)C1 ZINC000595847642 349754084 /nfs/dbraw/zinc/75/40/84/349754084.db2.gz ACGPUZOFDLCMSU-OTVXOJSOSA-N 1 1 291.778 2.575 20 30 CFEDMO COC(=O)[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000595856202 349756001 /nfs/dbraw/zinc/75/60/01/349756001.db2.gz KNCDWIAZZCYSMD-VDISTLRHSA-N 1 1 292.766 2.595 20 30 CFEDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000595856202 349756004 /nfs/dbraw/zinc/75/60/04/349756004.db2.gz KNCDWIAZZCYSMD-VDISTLRHSA-N 1 1 292.766 2.595 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595869472 349757262 /nfs/dbraw/zinc/75/72/62/349757262.db2.gz DIKOSBCEBZZADI-XJKCOSOUSA-N 1 1 258.365 2.570 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](CCC1CC1)CC1CC1 ZINC000595870340 349758489 /nfs/dbraw/zinc/75/84/89/349758489.db2.gz ADEXKTSVQNIZPG-QGZVFWFLSA-N 1 1 291.439 2.553 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CC1CCCC1 ZINC000126156560 187221265 /nfs/dbraw/zinc/22/12/65/187221265.db2.gz KBWDVIYVXCMAMR-AWEZNQCLSA-N 1 1 266.429 2.922 20 30 CFEDMO N#Cc1cc2cccnc2nc1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000596076877 349788058 /nfs/dbraw/zinc/78/80/58/349788058.db2.gz RAWWZMRAHXLMDW-HUUCEWRRSA-N 1 1 293.374 2.540 20 30 CFEDMO Cc1ccc(C#N)nc1NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000596078495 349789207 /nfs/dbraw/zinc/78/92/07/349789207.db2.gz RKQOXRRFJAMRAS-OCCSQVGLSA-N 1 1 272.396 2.794 20 30 CFEDMO CCC[N@H+]1CC[C@@H](CNc2nc3ncccc3cc2C#N)C1 ZINC000596089653 349791974 /nfs/dbraw/zinc/79/19/74/349791974.db2.gz RLQXHZAQEAUKIT-ZDUSSCGKSA-N 1 1 295.390 2.645 20 30 CFEDMO N#Cc1cccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596060036 349784283 /nfs/dbraw/zinc/78/42/83/349784283.db2.gz YDBWQRYLGBAUMP-SFHVURJKSA-N 1 1 283.419 2.770 20 30 CFEDMO N#Cc1cccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000596060036 349784287 /nfs/dbraw/zinc/78/42/87/349784287.db2.gz YDBWQRYLGBAUMP-SFHVURJKSA-N 1 1 283.419 2.770 20 30 CFEDMO Cc1[nH+]cn([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C ZINC000192589505 282224676 /nfs/dbraw/zinc/22/46/76/282224676.db2.gz BTWIZCWWCYYZBO-MRXNPFEDSA-N 1 1 294.358 2.740 20 30 CFEDMO CSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000126518877 187245081 /nfs/dbraw/zinc/24/50/81/187245081.db2.gz KLGZGXFLZQHJID-SNVBAGLBSA-N 1 1 297.449 2.632 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)c2nc(C#N)c(Cl)s2)C[C@H]1C ZINC000596136380 349804606 /nfs/dbraw/zinc/80/46/06/349804606.db2.gz TZCKCGRSAHXFJM-ZJUUUORDSA-N 1 1 298.843 2.977 20 30 CFEDMO C[C@@H]1C[C@@H](Nc2nc3ncccc3cc2C#N)C[N@H+]1C1CC1 ZINC000596156681 349812070 /nfs/dbraw/zinc/81/20/70/349812070.db2.gz RGTRMQXDGZIPBE-BXUZGUMPSA-N 1 1 293.374 2.539 20 30 CFEDMO C[N@H+]1CCC[C@H]2CN(c3nc(C#N)c(Cl)s3)CC[C@H]21 ZINC000596168519 349815238 /nfs/dbraw/zinc/81/52/38/349815238.db2.gz OBTIJAXUDNDHGP-GXSJLCMTSA-N 1 1 296.827 2.589 20 30 CFEDMO CCc1nnc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)s1 ZINC000330292434 529769529 /nfs/dbraw/zinc/76/95/29/529769529.db2.gz HFKVYXLVAFNCEW-JTQLQIEISA-N 1 1 282.413 2.953 20 30 CFEDMO CC(C)[N@H+](C)C[C@H](C)Nc1nc2ncccc2cc1C#N ZINC000596236918 349835639 /nfs/dbraw/zinc/83/56/39/349835639.db2.gz PBCQYTZGZRPDMG-LBPRGKRZSA-N 1 1 283.379 2.642 20 30 CFEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000007786617 529837788 /nfs/dbraw/zinc/83/77/88/529837788.db2.gz MZTSTSVFMAGYMO-UHFFFAOYSA-N 1 1 271.364 2.761 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1cccc(F)c1C#N ZINC000596308786 349858882 /nfs/dbraw/zinc/85/88/82/349858882.db2.gz VBOQEHKGXFIJFT-NSHDSACASA-N 1 1 261.344 2.982 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1cccc(F)c1C#N ZINC000596308785 349859331 /nfs/dbraw/zinc/85/93/31/349859331.db2.gz VBOQEHKGXFIJFT-LLVKDONJSA-N 1 1 261.344 2.982 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@H]1CNc1nc2ncccc2cc1C#N ZINC000596309751 349860037 /nfs/dbraw/zinc/86/00/37/349860037.db2.gz VYULFXWOHZOBGM-AWEZNQCLSA-N 1 1 295.390 2.786 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ncc2c(c1C#N)CCC2 ZINC000596309524 349860125 /nfs/dbraw/zinc/86/01/25/349860125.db2.gz SVLILFPKRONLMS-CYBMUJFWSA-N 1 1 284.407 2.727 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000596307402 349858380 /nfs/dbraw/zinc/85/83/80/349858380.db2.gz MFQSVEHLSMANTO-CYBMUJFWSA-N 1 1 288.351 2.751 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000596327601 349864619 /nfs/dbraw/zinc/86/46/19/349864619.db2.gz URBFMLREOXVTQC-LBPRGKRZSA-N 1 1 288.351 2.751 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000596327600 349864635 /nfs/dbraw/zinc/86/46/35/349864635.db2.gz URBFMLREOXVTQC-GFCCVEGCSA-N 1 1 288.351 2.751 20 30 CFEDMO Cc1ccc(C#N)c(N[C@@H]2CC[N@H+](C(C)(C)C)C2)n1 ZINC000596337659 349868749 /nfs/dbraw/zinc/86/87/49/349868749.db2.gz ZNVHHZOLSSBXJJ-CYBMUJFWSA-N 1 1 258.369 2.546 20 30 CFEDMO CCCCC(N)=[NH+]OCc1ccc([N+](=O)[O-])cc1 ZINC000049066219 260203700 /nfs/dbraw/zinc/20/37/00/260203700.db2.gz PHMRXJVZGVQUCM-UHFFFAOYSA-N 1 1 251.286 2.574 20 30 CFEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCCCO1 ZINC000160978262 529986473 /nfs/dbraw/zinc/98/64/73/529986473.db2.gz SEWPOTMPJYTJMK-CQSZACIVSA-N 1 1 262.328 2.698 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2n[nH]nc2c1 ZINC000330305140 530052455 /nfs/dbraw/zinc/05/24/55/530052455.db2.gz QMBWSICJFDQQKZ-GFCCVEGCSA-N 1 1 287.367 2.810 20 30 CFEDMO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2[nH]nnc2c1 ZINC000330305140 530052456 /nfs/dbraw/zinc/05/24/56/530052456.db2.gz QMBWSICJFDQQKZ-GFCCVEGCSA-N 1 1 287.367 2.810 20 30 CFEDMO 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C[C@@H](CC#N)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000308984768 348405559 /nfs/dbraw/zinc/40/55/59/348405559.db2.gz JHOLSKJKEYTIJN-QMMMGPOBSA-N 1 1 271.133 2.980 20 30 CFEDMO C[C@H](CNc1ncc(C#N)cc1F)[N@H+]1CCC[C@@H](C)C1 ZINC000413050272 233011855 /nfs/dbraw/zinc/01/18/55/233011855.db2.gz DCHJNEXJILHGHN-VXGBXAGGSA-N 1 1 276.359 2.625 20 30 CFEDMO Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C#N)n1 ZINC000308276258 348403741 /nfs/dbraw/zinc/40/37/41/348403741.db2.gz HSCKFCBBUPQTPH-INIZCTEOSA-N 1 1 292.386 2.948 20 30 CFEDMO CC[N@H+]1CCCN(Cc2cccc(C#N)c2F)[C@@H](C)C1 ZINC000320291395 348436041 /nfs/dbraw/zinc/43/60/41/348436041.db2.gz YTLFCTUMDPDBBF-ZDUSSCGKSA-N 1 1 275.371 2.613 20 30 CFEDMO Cc1c(Cl)cnc(NC[C@@H](C)[N@@H+](C)C2CC2)c1C#N ZINC000273405575 192140430 /nfs/dbraw/zinc/14/04/30/192140430.db2.gz WWDFNPXRVORYOM-SECBINFHSA-N 1 1 278.787 2.810 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2[C@@H](C)CC)C1=O ZINC000337178027 348452616 /nfs/dbraw/zinc/45/26/16/348452616.db2.gz KLBQQKAHEYVBLA-KKUMJFAQSA-N 1 1 264.413 2.674 20 30 CFEDMO CC(C)CCOC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343163497 348458485 /nfs/dbraw/zinc/45/84/85/348458485.db2.gz SIEGYJOMTMKGJJ-UHFFFAOYSA-N 1 1 250.386 2.817 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000364408032 348509590 /nfs/dbraw/zinc/50/95/90/348509590.db2.gz RJIOUOFBKBGTKO-HNNXBMFYSA-N 1 1 295.386 2.951 20 30 CFEDMO CC[C@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)[C@@H](CC)CO1 ZINC000403892691 348588083 /nfs/dbraw/zinc/58/80/83/348588083.db2.gz RUBYMUGEFUCZSV-HOTGVXAUSA-N 1 1 288.391 2.956 20 30 CFEDMO CC[C@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)[C@@H](CC)CO1 ZINC000403892691 348588088 /nfs/dbraw/zinc/58/80/88/348588088.db2.gz RUBYMUGEFUCZSV-HOTGVXAUSA-N 1 1 288.391 2.956 20 30 CFEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000404671350 348593925 /nfs/dbraw/zinc/59/39/25/348593925.db2.gz BRGFKGYNGZUNGF-INIZCTEOSA-N 1 1 258.365 2.948 20 30 CFEDMO COCC1(C[N@@H+]2Cc3cccc(C#N)c3C2)CCC1 ZINC000405096258 348596308 /nfs/dbraw/zinc/59/63/08/348596308.db2.gz XUOZPKXEJJXZSC-UHFFFAOYSA-N 1 1 256.349 2.691 20 30 CFEDMO COCC1(C[N@H+]2Cc3cccc(C#N)c3C2)CCC1 ZINC000405096258 348596309 /nfs/dbraw/zinc/59/63/09/348596309.db2.gz XUOZPKXEJJXZSC-UHFFFAOYSA-N 1 1 256.349 2.691 20 30 CFEDMO C[C@H](CCC#N)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000411764196 348603966 /nfs/dbraw/zinc/60/39/66/348603966.db2.gz DSWCPCMWKGIEAC-NVXWUHKLSA-N 1 1 271.408 2.537 20 30 CFEDMO C[C@H](CCC#N)[N@@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000411764196 348603969 /nfs/dbraw/zinc/60/39/69/348603969.db2.gz DSWCPCMWKGIEAC-NVXWUHKLSA-N 1 1 271.408 2.537 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000411764196 348603971 /nfs/dbraw/zinc/60/39/71/348603971.db2.gz DSWCPCMWKGIEAC-NVXWUHKLSA-N 1 1 271.408 2.537 20 30 CFEDMO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)ccc1C#N ZINC000397682374 348562926 /nfs/dbraw/zinc/56/29/26/348562926.db2.gz MICLQIPBMABPFW-CYBMUJFWSA-N 1 1 269.348 2.693 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000397710302 348563480 /nfs/dbraw/zinc/56/34/80/348563480.db2.gz UXCJREBMTTZBFV-OAHLLOKOSA-N 1 1 270.376 2.790 20 30 CFEDMO C=CCC1(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCCC1 ZINC000449866099 348619975 /nfs/dbraw/zinc/61/99/75/348619975.db2.gz BUYUYYSWMCANCZ-HNNXBMFYSA-N 1 1 278.440 2.923 20 30 CFEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)CCC ZINC000450298423 348620573 /nfs/dbraw/zinc/62/05/73/348620573.db2.gz MHUSRBLLAUHZFF-HNNXBMFYSA-N 1 1 278.352 2.744 20 30 CFEDMO Cc1cc(N[C@H](C)C[N@H+](C)C(C)C)c(C#N)cc1[N+](=O)[O-] ZINC000413293835 233047901 /nfs/dbraw/zinc/04/79/01/233047901.db2.gz CHJYDZMMGPZFFL-GFCCVEGCSA-N 1 1 290.367 2.916 20 30 CFEDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc2c(c1C#N)CCC2 ZINC000584835300 348721046 /nfs/dbraw/zinc/72/10/46/348721046.db2.gz TTYNINUWJJBOEE-KBPBESRZSA-N 1 1 298.434 2.974 20 30 CFEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CC2(CCC2)O1 ZINC000579953961 348672674 /nfs/dbraw/zinc/67/26/74/348672674.db2.gz VMAXGMVHSQSJTH-OAHLLOKOSA-N 1 1 292.423 2.730 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@@H](C#N)CCC#N ZINC000580316626 348673083 /nfs/dbraw/zinc/67/30/83/348673083.db2.gz PPCMDURMQWVROI-NXHRZFHOSA-N 1 1 296.418 2.540 20 30 CFEDMO C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000580316626 348673088 /nfs/dbraw/zinc/67/30/88/348673088.db2.gz PPCMDURMQWVROI-NXHRZFHOSA-N 1 1 296.418 2.540 20 30 CFEDMO C=CCN(C)CC[N@H+](CC)C[C@H]1CCC2(CCCC2)O1 ZINC000584706570 348706951 /nfs/dbraw/zinc/70/69/51/348706951.db2.gz QFSZDUZNAOHEPV-MRXNPFEDSA-N 1 1 280.456 2.918 20 30 CFEDMO C=CC[N@@H+](C)CCN(CC)C[C@H]1CCC2(CCCC2)O1 ZINC000584706570 348706955 /nfs/dbraw/zinc/70/69/55/348706955.db2.gz QFSZDUZNAOHEPV-MRXNPFEDSA-N 1 1 280.456 2.918 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)C[C@H]1CCC2(CCCC2)O1 ZINC000584706570 348706957 /nfs/dbraw/zinc/70/69/57/348706957.db2.gz QFSZDUZNAOHEPV-MRXNPFEDSA-N 1 1 280.456 2.918 20 30 CFEDMO CCc1nc(N[C@H]2CCc3cc(C#N)ccc32)cc(C)[nH+]1 ZINC000588035761 348767973 /nfs/dbraw/zinc/76/79/73/348767973.db2.gz VVTMZZCAUUKIPC-HNNXBMFYSA-N 1 1 278.359 2.740 20 30 CFEDMO C[C@@H](CNC(=O)CCCCCC#N)[N@H+]1CCCC[C@H]1C ZINC000588150464 348773409 /nfs/dbraw/zinc/77/34/09/348773409.db2.gz VQLQZDLGRVCLKZ-CABCVRRESA-N 1 1 279.428 2.840 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000585756047 348743687 /nfs/dbraw/zinc/74/36/87/348743687.db2.gz ATLNUEKFQMEWHK-KRWDZBQOSA-N 1 1 270.376 2.869 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000585754864 348743700 /nfs/dbraw/zinc/74/37/00/348743700.db2.gz IFFRNWWXICURDA-QGZVFWFLSA-N 1 1 272.392 2.994 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000585816958 348745920 /nfs/dbraw/zinc/74/59/20/348745920.db2.gz TZQIYROZACQOLV-MRXNPFEDSA-N 1 1 266.348 2.927 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000585816958 348745925 /nfs/dbraw/zinc/74/59/25/348745925.db2.gz TZQIYROZACQOLV-MRXNPFEDSA-N 1 1 266.348 2.927 20 30 CFEDMO Cc1cc(NCC[NH+]2Cc3ccccc3C2)cc(C#N)n1 ZINC000587543753 348762687 /nfs/dbraw/zinc/76/26/87/348762687.db2.gz XWPXAOCIJYHPBG-UHFFFAOYSA-N 1 1 278.359 2.689 20 30 CFEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](c3ccco3)C2)n1 ZINC000589497873 348836257 /nfs/dbraw/zinc/83/62/57/348836257.db2.gz FCHGDGKIIVVQMI-SNVBAGLBSA-N 1 1 259.334 2.597 20 30 CFEDMO N#Cc1csc(C[N@H+]2CC[C@@H](c3ccco3)C2)n1 ZINC000589497873 348836260 /nfs/dbraw/zinc/83/62/60/348836260.db2.gz FCHGDGKIIVVQMI-SNVBAGLBSA-N 1 1 259.334 2.597 20 30 CFEDMO C[C@@]1(C[NH2+]C[C@H](C#N)CCC#N)OCCc2sccc21 ZINC000589573860 348839658 /nfs/dbraw/zinc/83/96/58/348839658.db2.gz RQKUKXAKFAGHAZ-WFASDCNBSA-N 1 1 289.404 2.569 20 30 CFEDMO Cc1ccc(CNc2cccnc2C#N)c(N2CCCC2)[nH+]1 ZINC000589589335 348840549 /nfs/dbraw/zinc/84/05/49/348840549.db2.gz QYQPFSSTWMUWMB-UHFFFAOYSA-N 1 1 293.374 2.869 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)CCCC#N ZINC000589706994 348852820 /nfs/dbraw/zinc/85/28/20/348852820.db2.gz NTGIBVXOVJLFPX-INIZCTEOSA-N 1 1 299.418 2.803 20 30 CFEDMO CN1C[C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000590012459 348869929 /nfs/dbraw/zinc/86/99/29/348869929.db2.gz SCLMAUYIRKHLRX-WBVHZDCISA-N 1 1 283.419 2.624 20 30 CFEDMO C[N@@H+]1C[C@H]2CCN(Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000590012459 348869932 /nfs/dbraw/zinc/86/99/32/348869932.db2.gz SCLMAUYIRKHLRX-WBVHZDCISA-N 1 1 283.419 2.624 20 30 CFEDMO C[N@H+]1C[C@H]2CCN(Cc3ccc(C(C)(C)C#N)cc3)[C@H]2C1 ZINC000590012459 348869937 /nfs/dbraw/zinc/86/99/37/348869937.db2.gz SCLMAUYIRKHLRX-WBVHZDCISA-N 1 1 283.419 2.624 20 30 CFEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)C1 ZINC000590170163 348881786 /nfs/dbraw/zinc/88/17/86/348881786.db2.gz BGHSKGAJHWIKHD-QXSJWSMHSA-N 1 1 262.397 2.817 20 30 CFEDMO C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000590715590 348934890 /nfs/dbraw/zinc/93/48/90/348934890.db2.gz RZZRFUPJAVHBSE-DJIMGWMZSA-N 1 1 272.392 2.777 20 30 CFEDMO Cc1cc(C#N)ccc1CN(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000590765826 348944597 /nfs/dbraw/zinc/94/45/97/348944597.db2.gz GUDVURHOPYTDIY-QGZVFWFLSA-N 1 1 271.408 2.781 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@]3(CCSC3)C2)ccn1 ZINC000590763909 348944688 /nfs/dbraw/zinc/94/46/88/348944688.db2.gz TWICXXGTLHLYRG-HNNXBMFYSA-N 1 1 273.405 2.672 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)ccn1 ZINC000590763910 348944787 /nfs/dbraw/zinc/94/47/87/348944787.db2.gz TWICXXGTLHLYRG-OAHLLOKOSA-N 1 1 273.405 2.672 20 30 CFEDMO Cc1ccc(C#N)nc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000590585208 348911413 /nfs/dbraw/zinc/91/14/13/348911413.db2.gz MVXPDPJJSYVVFL-UHFFFAOYSA-N 1 1 284.407 2.716 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1nccn1C(F)F ZINC000590593113 348912308 /nfs/dbraw/zinc/91/23/08/348912308.db2.gz JZJDMVSBZPGMTK-JTQLQIEISA-N 1 1 256.300 2.650 20 30 CFEDMO CC[N@@H+](CCC#N)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590602112 348913975 /nfs/dbraw/zinc/91/39/75/348913975.db2.gz FRWVEOQGBDUBMZ-AWEZNQCLSA-N 1 1 279.428 2.507 20 30 CFEDMO CCC#C[C@@H](C)[N@@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000590965700 348973826 /nfs/dbraw/zinc/97/38/26/348973826.db2.gz LPSPEMRJSZNHJX-CYBMUJFWSA-N 1 1 271.360 2.633 20 30 CFEDMO CCC#C[C@@H](C)[N@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000590965700 348973829 /nfs/dbraw/zinc/97/38/29/348973829.db2.gz LPSPEMRJSZNHJX-CYBMUJFWSA-N 1 1 271.360 2.633 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000591022895 348979827 /nfs/dbraw/zinc/97/98/27/348979827.db2.gz TVIZKIVAQRYVTC-KFWWJZLASA-N 1 1 250.386 2.817 20 30 CFEDMO CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@H](C)CCC#N)C1 ZINC000591031532 348981196 /nfs/dbraw/zinc/98/11/96/348981196.db2.gz SBTNEWOXZPOYOE-MNOVXSKESA-N 1 1 264.291 2.722 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](CCC(=O)OC(C)(C)C)C1 ZINC000591055912 348982700 /nfs/dbraw/zinc/98/27/00/348982700.db2.gz FSLYEKRXZMYPHS-CABCVRRESA-N 1 1 297.439 2.757 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccn(C)n1 ZINC000591241366 349002898 /nfs/dbraw/zinc/00/28/98/349002898.db2.gz QMCGTMOWAXXXLZ-JTQLQIEISA-N 1 1 274.755 2.796 20 30 CFEDMO C[C@]1(C#N)CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000590956119 348971044 /nfs/dbraw/zinc/97/10/44/348971044.db2.gz XMCSAAXVGWARNL-QZTJIDSGSA-N 1 1 283.419 2.887 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000591726561 349040318 /nfs/dbraw/zinc/04/03/18/349040318.db2.gz PFVWJRJFELRYKU-INIZCTEOSA-N 1 1 297.406 2.605 20 30 CFEDMO CN(C[C@H]1CCC[N@H+]1C)c1cc(C#N)nc2ccccc21 ZINC000591464199 349025704 /nfs/dbraw/zinc/02/57/04/349025704.db2.gz IWURIZSWPPIWHB-CQSZACIVSA-N 1 1 280.375 2.637 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000591481870 349026793 /nfs/dbraw/zinc/02/67/93/349026793.db2.gz FFKYDZKFMFHFQQ-OAHLLOKOSA-N 1 1 272.392 2.851 20 30 CFEDMO C=CCOc1cccc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000668704101 539705001 /nfs/dbraw/zinc/70/50/01/539705001.db2.gz BVZNXMIKFUONJI-JKSUJKDBSA-N 1 1 273.376 2.720 20 30 CFEDMO C[C@@H]1CCNC[C@H]1[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000591578273 349031986 /nfs/dbraw/zinc/03/19/86/349031986.db2.gz KACPDZOGBLKTLK-OAUYIBNBSA-N 1 1 269.392 2.523 20 30 CFEDMO N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCCC[C@H]1[NH3+] ZINC000591686617 349038585 /nfs/dbraw/zinc/03/85/85/349038585.db2.gz WFLLTCMCVJELEQ-IXDOHACOSA-N 1 1 269.392 2.795 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000591726564 349040109 /nfs/dbraw/zinc/04/01/09/349040109.db2.gz PFVWJRJFELRYKU-MRXNPFEDSA-N 1 1 297.406 2.605 20 30 CFEDMO N#Cc1cnccc1C[N@H+]1CC[C@H](c2ccco2)C1 ZINC000592071033 349079955 /nfs/dbraw/zinc/07/99/55/349079955.db2.gz XRVYDJCBTKLZRJ-ZDUSSCGKSA-N 1 1 253.305 2.536 20 30 CFEDMO C[C@H]([NH2+]Cc1ccncc1C#N)c1ccc([S@@](C)=O)cc1 ZINC000592098209 349082322 /nfs/dbraw/zinc/08/23/22/349082322.db2.gz MNVQULNQZGRXPP-LAJNKCICSA-N 1 1 299.399 2.541 20 30 CFEDMO C[C@@H](NCc1ccncc1C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000592098992 349082332 /nfs/dbraw/zinc/08/23/32/349082332.db2.gz IVIVNWHJYQCXFZ-GDBMZVCRSA-N 1 1 298.434 2.696 20 30 CFEDMO Cn1cc([C@@H]([NH2+]Cc2ccncc2C#N)C(C)(C)C)cn1 ZINC000592098268 349082429 /nfs/dbraw/zinc/08/24/29/349082429.db2.gz NLVNYYVGDZLZPF-OAHLLOKOSA-N 1 1 283.379 2.564 20 30 CFEDMO N#Cc1cnccc1C[NH2+][C@@H](CCCO)c1ccccc1 ZINC000592099066 349082558 /nfs/dbraw/zinc/08/25/58/349082558.db2.gz QTMJFYMCNQXKMW-KRWDZBQOSA-N 1 1 281.359 2.557 20 30 CFEDMO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccncc1C#N ZINC000592120393 349086412 /nfs/dbraw/zinc/08/64/12/349086412.db2.gz HAGABZXVWTZDSW-UHFFFAOYSA-N 1 1 296.330 2.536 20 30 CFEDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccncc1C#N ZINC000592120393 349086416 /nfs/dbraw/zinc/08/64/16/349086416.db2.gz HAGABZXVWTZDSW-UHFFFAOYSA-N 1 1 296.330 2.536 20 30 CFEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccncc3C#N)c2C[C@H]1C ZINC000592127273 349088071 /nfs/dbraw/zinc/08/80/71/349088071.db2.gz ZMHQLKLSSHFULI-VXGBXAGGSA-N 1 1 266.348 2.569 20 30 CFEDMO C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148265 349091782 /nfs/dbraw/zinc/09/17/82/349091782.db2.gz XAZQBCBXZZDXAJ-SMDDNHRTSA-N 1 1 264.756 2.751 20 30 CFEDMO C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148265 349091786 /nfs/dbraw/zinc/09/17/86/349091786.db2.gz XAZQBCBXZZDXAJ-SMDDNHRTSA-N 1 1 264.756 2.751 20 30 CFEDMO CC(C)O[C@@H](C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592153688 349092591 /nfs/dbraw/zinc/09/25/91/349092591.db2.gz NTJCJQHXCJSOIC-IRXDYDNUSA-N 1 1 288.391 2.503 20 30 CFEDMO N#CC[C@]1(O)CC[N@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000592153724 349092596 /nfs/dbraw/zinc/09/25/96/349092596.db2.gz ODLWRFHXEYZSNE-AWEZNQCLSA-N 1 1 299.201 2.886 20 30 CFEDMO N#CC[C@]1(O)CC[N@@H+](CCc2cc(Cl)ccc2Cl)C1 ZINC000592153724 349092597 /nfs/dbraw/zinc/09/25/97/349092597.db2.gz ODLWRFHXEYZSNE-AWEZNQCLSA-N 1 1 299.201 2.886 20 30 CFEDMO N#CC[C@@]1(O)CC[N@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000592153793 349092830 /nfs/dbraw/zinc/09/28/30/349092830.db2.gz OXNQTHOMYXUACX-CQSZACIVSA-N 1 1 299.201 2.886 20 30 CFEDMO N#CC[C@@]1(O)CC[N@@H+](CCc2cc(Cl)cc(Cl)c2)C1 ZINC000592153793 349092835 /nfs/dbraw/zinc/09/28/35/349092835.db2.gz OXNQTHOMYXUACX-CQSZACIVSA-N 1 1 299.201 2.886 20 30 CFEDMO C=CCCC[N@H+]1CCc2cccc(C(=O)OC)c2C1 ZINC000592158062 349093802 /nfs/dbraw/zinc/09/38/02/349093802.db2.gz CCPSKSQWZWNUMW-UHFFFAOYSA-N 1 1 259.349 2.798 20 30 CFEDMO N#CCC[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000592175252 349094861 /nfs/dbraw/zinc/09/48/61/349094861.db2.gz GGHDCELTGZUFLQ-HNNXBMFYSA-N 1 1 256.349 2.560 20 30 CFEDMO CC(C)(CO)[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccs1 ZINC000592432332 349118481 /nfs/dbraw/zinc/11/84/81/349118481.db2.gz DZLXOSJHOXLWTJ-TZMCWYRMSA-N 1 1 291.420 2.841 20 30 CFEDMO CC(C)(CO)[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cccs1 ZINC000592432331 349118699 /nfs/dbraw/zinc/11/86/99/349118699.db2.gz DZLXOSJHOXLWTJ-OCCSQVGLSA-N 1 1 291.420 2.841 20 30 CFEDMO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(CC#N)cc1 ZINC000592470682 349126621 /nfs/dbraw/zinc/12/66/21/349126621.db2.gz CYPNZIFXCLHZRX-DNVCBOLYSA-N 1 1 293.414 2.801 20 30 CFEDMO C[C@@H](CC1CCCCC1)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523247 349132322 /nfs/dbraw/zinc/13/23/22/349132322.db2.gz XEACMJJPSQWQOL-HOCLYGCPSA-N 1 1 264.413 2.943 20 30 CFEDMO CCC[N@@H+](Cc1cc(C#N)cs1)[C@@H]1CCN(C)C1 ZINC000592521209 349132763 /nfs/dbraw/zinc/13/27/63/349132763.db2.gz WRMHZYSCHHRAJW-CYBMUJFWSA-N 1 1 263.410 2.536 20 30 CFEDMO CCCN(Cc1cc(C#N)cs1)[C@@H]1CC[N@H+](C)C1 ZINC000592521209 349132765 /nfs/dbraw/zinc/13/27/65/349132765.db2.gz WRMHZYSCHHRAJW-CYBMUJFWSA-N 1 1 263.410 2.536 20 30 CFEDMO CCCN(Cc1cc(C#N)cs1)[C@@H]1CC[N@@H+](C)C1 ZINC000592521209 349132767 /nfs/dbraw/zinc/13/27/67/349132767.db2.gz WRMHZYSCHHRAJW-CYBMUJFWSA-N 1 1 263.410 2.536 20 30 CFEDMO N#CC[C@]1(O)CC[N@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000592523381 349133593 /nfs/dbraw/zinc/13/35/93/349133593.db2.gz ZGSHRDZFNYXWKW-HNNXBMFYSA-N 1 1 291.420 2.651 20 30 CFEDMO N#CC[C@]1(O)CC[N@@H+](Cc2cnc(C3CCCC3)s2)C1 ZINC000592523381 349133596 /nfs/dbraw/zinc/13/35/96/349133596.db2.gz ZGSHRDZFNYXWKW-HNNXBMFYSA-N 1 1 291.420 2.651 20 30 CFEDMO N#Cc1ccc(NC(=O)C[NH+]2C3CCC2CC3)cc1Cl ZINC000592571387 349138412 /nfs/dbraw/zinc/13/84/12/349138412.db2.gz YYHPWRCQSVRULT-UHFFFAOYSA-N 1 1 289.766 2.777 20 30 CFEDMO C[N@H+]1CCC[C@@H]1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000593013203 349187126 /nfs/dbraw/zinc/18/71/26/349187126.db2.gz IPGVUVIPRQCIJV-KURKYZTESA-N 1 1 283.419 2.852 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c(F)c1 ZINC000593114947 349212004 /nfs/dbraw/zinc/21/20/04/349212004.db2.gz HDWNFKGRQOSHMT-CYBMUJFWSA-N 1 1 266.266 2.928 20 30 CFEDMO COc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1C#N ZINC000593118812 349214420 /nfs/dbraw/zinc/21/44/20/349214420.db2.gz SLDXMHKXUZSRNO-CQSZACIVSA-N 1 1 278.302 2.798 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593119407 349215220 /nfs/dbraw/zinc/21/52/20/349215220.db2.gz XYSAHBICQKGBLX-CQSZACIVSA-N 1 1 278.302 2.798 20 30 CFEDMO C[C@H]1C[C@H](C[N@@H+]2Cc3cccc(C#N)c3C2)CCO1 ZINC000593127879 349217064 /nfs/dbraw/zinc/21/70/64/349217064.db2.gz WLMUDEOQJDMMAN-QWHCGFSZSA-N 1 1 256.349 2.689 20 30 CFEDMO C[C@H]1C[C@H](C[N@H+]2Cc3cccc(C#N)c3C2)CCO1 ZINC000593127879 349217068 /nfs/dbraw/zinc/21/70/68/349217068.db2.gz WLMUDEOQJDMMAN-QWHCGFSZSA-N 1 1 256.349 2.689 20 30 CFEDMO Cc1cc(C#N)ccc1C(=O)NCCC[N@H+](C)CC(C)C ZINC000593204194 349228628 /nfs/dbraw/zinc/22/86/28/349228628.db2.gz WVBUJFYLVPEEJE-UHFFFAOYSA-N 1 1 287.407 2.574 20 30 CFEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C2(CCC2)CO1 ZINC000593093896 349207250 /nfs/dbraw/zinc/20/72/50/349207250.db2.gz WGXDBPZXZMJYKB-ZDUSSCGKSA-N 1 1 256.349 2.702 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2)C2(CCC2)CO1 ZINC000593093896 349207254 /nfs/dbraw/zinc/20/72/54/349207254.db2.gz WGXDBPZXZMJYKB-ZDUSSCGKSA-N 1 1 256.349 2.702 20 30 CFEDMO CC[C@H](C#N)C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000593604211 349297624 /nfs/dbraw/zinc/29/76/24/349297624.db2.gz ISAOLYNTVDXUTQ-SJORKVTESA-N 1 1 299.418 2.659 20 30 CFEDMO CC[C@H](C#N)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000593462021 349275368 /nfs/dbraw/zinc/27/53/68/349275368.db2.gz QOZGSODHXQCYOV-ZIAGYGMSSA-N 1 1 279.428 2.553 20 30 CFEDMO CC(C)C[N@@H+](C)CCCNc1nc2c(cc1C#N)CCC2 ZINC000593479879 349278967 /nfs/dbraw/zinc/27/89/67/349278967.db2.gz KLOUWBIFFGSCEQ-UHFFFAOYSA-N 1 1 286.423 2.832 20 30 CFEDMO CC[C@H](C#N)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000593506242 349286439 /nfs/dbraw/zinc/28/64/39/349286439.db2.gz QDCTUGGCGKRSMY-TZMCWYRMSA-N 1 1 296.374 2.908 20 30 CFEDMO N#CCCCC[C@H]([NH3+])c1nc(Cc2cccc(F)c2)no1 ZINC000593943157 349337156 /nfs/dbraw/zinc/33/71/56/349337156.db2.gz KELVMMZUQWWYAF-ZDUSSCGKSA-N 1 1 288.326 2.883 20 30 CFEDMO C[N@@H+]1CCN(C(=O)CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000593954702 349339251 /nfs/dbraw/zinc/33/92/51/349339251.db2.gz NODWZHGMOSQBNF-MRXNPFEDSA-N 1 1 285.391 2.586 20 30 CFEDMO C[N@H+]1CCN(C(=O)CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000593954702 349339253 /nfs/dbraw/zinc/33/92/53/349339253.db2.gz NODWZHGMOSQBNF-MRXNPFEDSA-N 1 1 285.391 2.586 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(O)cc2)nc1 ZINC000593961921 349340932 /nfs/dbraw/zinc/34/09/32/349340932.db2.gz PXJXHNSIKVDSTD-QGZVFWFLSA-N 1 1 279.343 2.996 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCCCC#N ZINC000593974891 349343516 /nfs/dbraw/zinc/34/35/16/349343516.db2.gz HQXTWHSWRHFPPY-MRXNPFEDSA-N 1 1 299.418 2.803 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCCCC#N ZINC000593974891 349343517 /nfs/dbraw/zinc/34/35/17/349343517.db2.gz HQXTWHSWRHFPPY-MRXNPFEDSA-N 1 1 299.418 2.803 20 30 CFEDMO N#Cc1ccc(C2([NH2+]Cc3cc4n(n3)CCC4)CCC2)cc1 ZINC000594035377 349358651 /nfs/dbraw/zinc/35/86/51/349358651.db2.gz KVUPRWFQZMXIGZ-UHFFFAOYSA-N 1 1 292.386 2.870 20 30 CFEDMO N#CC1(C[NH2+]Cc2[nH]nc3ccccc32)CCCC1 ZINC000593652626 349304069 /nfs/dbraw/zinc/30/40/69/349304069.db2.gz FECZVYGOUGBKAL-UHFFFAOYSA-N 1 1 254.337 2.736 20 30 CFEDMO CCn1nc(C)c(C[NH2+]CC2(C#N)CCCC2)c1C ZINC000593649931 349304103 /nfs/dbraw/zinc/30/41/03/349304103.db2.gz MQJBXYIRVZGCEI-UHFFFAOYSA-N 1 1 260.385 2.693 20 30 CFEDMO N#CC1(C[NH2+]Cc2ccc(N3CCCC3)nc2)CCCC1 ZINC000593652787 349304305 /nfs/dbraw/zinc/30/43/05/349304305.db2.gz MLXRNKRTWZJEAM-UHFFFAOYSA-N 1 1 284.407 2.855 20 30 CFEDMO Cn1cc(C[NH2+]CC2(C#N)CCCC2)c(C(C)(C)C)n1 ZINC000593653785 349304763 /nfs/dbraw/zinc/30/47/63/349304763.db2.gz XTKIBDXHTLDOED-UHFFFAOYSA-N 1 1 274.412 2.891 20 30 CFEDMO CC[N@@H+](Cc1ccc(C#N)s1)[C@H]1CCCOC1 ZINC000593674104 349307494 /nfs/dbraw/zinc/30/74/94/349307494.db2.gz NRRYDAFCLGEOBT-NSHDSACASA-N 1 1 250.367 2.621 20 30 CFEDMO CC[C@@H](C#N)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000593678296 349308725 /nfs/dbraw/zinc/30/87/25/349308725.db2.gz CIWKYLYNJHSYIH-JTQLQIEISA-N 1 1 279.771 2.890 20 30 CFEDMO CCOC1CC(C[N@H+]2Cc3ccc(C#N)cc3C2)C1 ZINC000594028082 349356372 /nfs/dbraw/zinc/35/63/72/349356372.db2.gz CGLRLFANGPOXPM-UHFFFAOYSA-N 1 1 256.349 2.689 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026364 349356755 /nfs/dbraw/zinc/35/67/55/349356755.db2.gz JYHDQNQBANKJHL-CQSZACIVSA-N 1 1 250.386 2.960 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCCCC#N)C1 ZINC000594258848 349401417 /nfs/dbraw/zinc/40/14/17/349401417.db2.gz SHSTXBQSVIEISO-OWCLPIDISA-N 1 1 291.439 2.934 20 30 CFEDMO CC(C)C[C@H](C#N)NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594286525 349404204 /nfs/dbraw/zinc/40/42/04/349404204.db2.gz PKCMKQSGTGYTHQ-IAGOWNOFSA-N 1 1 299.418 2.563 20 30 CFEDMO C[C@H]1CN(C(=O)CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594048414 349363400 /nfs/dbraw/zinc/36/34/00/349363400.db2.gz UTNUWRFWHOZTKT-INIZCTEOSA-N 1 1 299.418 2.803 20 30 CFEDMO C[C@H]1CN(C(=O)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594048414 349363402 /nfs/dbraw/zinc/36/34/02/349363402.db2.gz UTNUWRFWHOZTKT-INIZCTEOSA-N 1 1 299.418 2.803 20 30 CFEDMO N#CC1(NC(=O)C[N@H+]2CCC[C@H]2CC2CCCC2)CCC1 ZINC000594052358 349363991 /nfs/dbraw/zinc/36/39/91/349363991.db2.gz FHPMZTYILGJOQI-HNNXBMFYSA-N 1 1 289.423 2.594 20 30 CFEDMO C[C@H](O)C[N@@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000594065493 349368082 /nfs/dbraw/zinc/36/80/82/349368082.db2.gz QSYPIXBEVLCSSM-ZDUSSCGKSA-N 1 1 250.386 2.696 20 30 CFEDMO N#CCCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000594325184 349407548 /nfs/dbraw/zinc/40/75/48/349407548.db2.gz AJEKYZGSERWGTN-HOCLYGCPSA-N 1 1 289.423 2.546 20 30 CFEDMO C[C@@H](CC#N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000596972120 350009881 /nfs/dbraw/zinc/00/98/81/350009881.db2.gz SGPCSTRCMBOETG-DOTOQJQBSA-N 1 1 299.418 2.707 20 30 CFEDMO N#CC1(c2ccc(C[N@H+](CCO)C3CCCC3)cc2)CC1 ZINC000596976944 350010666 /nfs/dbraw/zinc/01/06/66/350010666.db2.gz CWYQNIUFIAZQCV-UHFFFAOYSA-N 1 1 284.403 2.979 20 30 CFEDMO Cn1ncc(C2CC2)c1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000596979390 350011302 /nfs/dbraw/zinc/01/13/02/350011302.db2.gz LKHDSSWTFGHDLH-UHFFFAOYSA-N 1 1 280.375 2.801 20 30 CFEDMO Cn1ncc(C2CC2)c1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000596979390 350011306 /nfs/dbraw/zinc/01/13/06/350011306.db2.gz LKHDSSWTFGHDLH-UHFFFAOYSA-N 1 1 280.375 2.801 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)CO1 ZINC000596983536 350012440 /nfs/dbraw/zinc/01/24/40/350012440.db2.gz AUJHULHOMVTVFZ-ZIAGYGMSSA-N 1 1 270.376 2.851 20 30 CFEDMO C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597009045 350015261 /nfs/dbraw/zinc/01/52/61/350015261.db2.gz OMNAJAGJXWMDOX-PBHICJAKSA-N 1 1 284.403 2.977 20 30 CFEDMO CN1CC[C@@H]2CC[N@@H+](Cc3ccc(C4(C#N)CC4)cc3)[C@H]2C1 ZINC000597077687 350024549 /nfs/dbraw/zinc/02/45/49/350024549.db2.gz WVVINCOCRTXBGB-AEFFLSMTSA-N 1 1 295.430 2.768 20 30 CFEDMO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(C4(C#N)CC4)cc3)[C@H]2C1 ZINC000597077687 350024553 /nfs/dbraw/zinc/02/45/53/350024553.db2.gz WVVINCOCRTXBGB-AEFFLSMTSA-N 1 1 295.430 2.768 20 30 CFEDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccc(C4(C#N)CC4)cc3)[C@H]2C1 ZINC000597077687 350024557 /nfs/dbraw/zinc/02/45/57/350024557.db2.gz WVVINCOCRTXBGB-AEFFLSMTSA-N 1 1 295.430 2.768 20 30 CFEDMO CCCCC[N@@H+](CC(N)=O)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597080337 350025724 /nfs/dbraw/zinc/02/57/24/350025724.db2.gz FTUFKUWUUMWFJR-UHFFFAOYSA-N 1 1 299.418 2.719 20 30 CFEDMO COC[C@@H](C)Oc1ccc(C[NH2+]CC(C)(C)C#N)cc1 ZINC000597081456 350026328 /nfs/dbraw/zinc/02/63/28/350026328.db2.gz ADNSEOQSIYCFHS-CYBMUJFWSA-N 1 1 276.380 2.740 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1cncc(Br)c1C ZINC000597087956 350028432 /nfs/dbraw/zinc/02/84/32/350028432.db2.gz XBKVTVFPCSEGDK-NSHDSACASA-N 1 1 282.185 2.934 20 30 CFEDMO CC1(C)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC[C@@H]1O ZINC000597112198 350030883 /nfs/dbraw/zinc/03/08/83/350030883.db2.gz YTKRGOJNULVBFZ-INIZCTEOSA-N 1 1 284.403 2.835 20 30 CFEDMO C[N@@H+](CCCn1ccnc1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597132484 350035217 /nfs/dbraw/zinc/03/52/17/350035217.db2.gz JBCYFBWDAGNENN-UHFFFAOYSA-N 1 1 294.402 2.960 20 30 CFEDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597135521 350036340 /nfs/dbraw/zinc/03/63/40/350036340.db2.gz FSFOORGUFMJSQL-WBVHZDCISA-N 1 1 284.403 2.835 20 30 CFEDMO C=CCC[C@H]([NH2+][C@@H]1CCCSCC1)C(=O)OCC ZINC000597152329 350039554 /nfs/dbraw/zinc/03/95/54/350039554.db2.gz RVAVLZKGCDXWKU-OLZOCXBDSA-N 1 1 271.426 2.760 20 30 CFEDMO 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Cc1ccc(C[N@@H+](C)CC2(N(C)C)CCC2)cc1C#N ZINC000599382364 350427636 /nfs/dbraw/zinc/42/76/36/350427636.db2.gz OCFRWPOTDQZPJT-UHFFFAOYSA-N 1 1 271.408 2.783 20 30 CFEDMO Cc1ccc(C[N@H+](C)CC2(N(C)C)CCC2)cc1C#N ZINC000599382364 350427640 /nfs/dbraw/zinc/42/76/40/350427640.db2.gz OCFRWPOTDQZPJT-UHFFFAOYSA-N 1 1 271.408 2.783 20 30 CFEDMO C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)[C@H]1CCC(C)(C)C1 ZINC000599390433 350429534 /nfs/dbraw/zinc/42/95/34/350429534.db2.gz LRGSYFGBUKTYDU-GJZGRUSLSA-N 1 1 294.439 2.568 20 30 CFEDMO Cc1ccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cc1C#N ZINC000599393434 350430475 /nfs/dbraw/zinc/43/04/75/350430475.db2.gz JGMNCLIYYDFXJQ-GOSISDBHSA-N 1 1 293.370 2.915 20 30 CFEDMO Cc1ccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cc1C#N ZINC000599396572 350430679 /nfs/dbraw/zinc/43/06/79/350430679.db2.gz QGLTVIQXHXIMSK-INIZCTEOSA-N 1 1 266.348 2.927 20 30 CFEDMO Cc1ccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)cc1C#N ZINC000599396572 350430680 /nfs/dbraw/zinc/43/06/80/350430680.db2.gz QGLTVIQXHXIMSK-INIZCTEOSA-N 1 1 266.348 2.927 20 30 CFEDMO Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1C#N ZINC000599391987 350430843 /nfs/dbraw/zinc/43/08/43/350430843.db2.gz OEEPCRORXBZJDV-CXAGYDPISA-N 1 1 270.376 2.866 20 30 CFEDMO Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)cc1C#N ZINC000599391987 350430846 /nfs/dbraw/zinc/43/08/46/350430846.db2.gz OEEPCRORXBZJDV-CXAGYDPISA-N 1 1 270.376 2.866 20 30 CFEDMO Cc1ccc(C[N@H+]2CCCCC[C@@H]2CCO)cc1C#N ZINC000599404864 350431559 /nfs/dbraw/zinc/43/15/59/350431559.db2.gz OSWSQFUPHLDIJV-QGZVFWFLSA-N 1 1 272.392 2.994 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000599496034 350445418 /nfs/dbraw/zinc/44/54/18/350445418.db2.gz RSGALEKVRIXHAZ-CZUORRHYSA-N 1 1 283.412 2.510 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000599526130 350450232 /nfs/dbraw/zinc/45/02/32/350450232.db2.gz FMHZSYOBSFFCJW-OAHLLOKOSA-N 1 1 283.375 2.785 20 30 CFEDMO C=CC[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2OC)C1 ZINC000599526498 350450678 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CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](CCF)C1 ZINC000599640007 350470217 /nfs/dbraw/zinc/47/02/17/350470217.db2.gz BJYQMIBHYQXVLL-DOMZBBRYSA-N 1 1 262.328 2.680 20 30 CFEDMO CC[N@@H+](CCCC#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000599657675 350475382 /nfs/dbraw/zinc/47/53/82/350475382.db2.gz KDHZIWAGIVTPKJ-UHFFFAOYSA-N 1 1 259.397 2.874 20 30 CFEDMO CC(C)(C)OCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678219 350479712 /nfs/dbraw/zinc/47/97/12/350479712.db2.gz GXINQKSVSBTQEM-UHFFFAOYSA-N 1 1 272.392 2.926 20 30 CFEDMO Cc1nc(C)c(C[N@@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000599678537 350480101 /nfs/dbraw/zinc/48/01/01/350480101.db2.gz TUAIEUILOBWZGE-UHFFFAOYSA-N 1 1 281.359 2.916 20 30 CFEDMO Cc1nc(C)c(C[N@H+]2CCc3c(CC#N)cccc3C2)o1 ZINC000599678537 350480103 /nfs/dbraw/zinc/48/01/03/350480103.db2.gz TUAIEUILOBWZGE-UHFFFAOYSA-N 1 1 281.359 2.916 20 30 CFEDMO N#CCc1cccc2c1CC[N@H+](CCO[C@H]1CC1(F)F)C2 ZINC000599679361 350481020 /nfs/dbraw/zinc/48/10/20/350481020.db2.gz ZBSLHAQCMFSKRB-HNNXBMFYSA-N 1 1 292.329 2.535 20 30 CFEDMO N#CCc1cccc2c1CC[N@H+](Cc1ccccn1)C2 ZINC000599679407 350481086 /nfs/dbraw/zinc/48/10/86/350481086.db2.gz RJGBZMSNJKOOTN-UHFFFAOYSA-N 1 1 263.344 2.706 20 30 CFEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccccn1)C2 ZINC000599679407 350481087 /nfs/dbraw/zinc/48/10/87/350481087.db2.gz RJGBZMSNJKOOTN-UHFFFAOYSA-N 1 1 263.344 2.706 20 30 CFEDMO COc1ccc([C@@H]([NH2+]Cc2ccncc2C#N)C2CC2)cn1 ZINC000599702795 350486477 /nfs/dbraw/zinc/48/64/77/350486477.db2.gz KQEMXAXTYLQMOS-KRWDZBQOSA-N 1 1 294.358 2.598 20 30 CFEDMO C[C@]1(C#N)CCC[N@H+](Cc2cccc3n[nH]cc32)C1 ZINC000600144158 350519036 /nfs/dbraw/zinc/51/90/36/350519036.db2.gz IQIJSXPHCPYABK-OAHLLOKOSA-N 1 1 254.337 2.689 20 30 CFEDMO C[C@]1(C#N)CCC[N@@H+](Cc2cccc3n[nH]cc32)C1 ZINC000600144158 350519039 /nfs/dbraw/zinc/51/90/39/350519039.db2.gz IQIJSXPHCPYABK-OAHLLOKOSA-N 1 1 254.337 2.689 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc3n[nH]cc32)C1 ZINC000600176793 350532153 /nfs/dbraw/zinc/53/21/53/350532153.db2.gz GSKZIWQTCLPGGC-LBPRGKRZSA-N 1 1 254.337 2.689 20 30 CFEDMO N#CCCCCCC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600229306 350544323 /nfs/dbraw/zinc/54/43/23/350544323.db2.gz JBJWKSBALUBGPP-INIZCTEOSA-N 1 1 291.439 2.984 20 30 CFEDMO C=CCCOCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000600424935 350555217 /nfs/dbraw/zinc/55/52/17/350555217.db2.gz FWFKHBZIPPWNQP-HNNXBMFYSA-N 1 1 296.455 2.596 20 30 CFEDMO C[NH+](C)CC(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000109020811 186239685 /nfs/dbraw/zinc/23/96/85/186239685.db2.gz GENVIUBZAYFNMF-UHFFFAOYSA-N 1 1 295.342 2.851 20 30 CFEDMO C[N@@H+](Cc1cn([C@H]2CC[C@H](C#N)C2)nn1)C1CCCCC1 ZINC000600813634 350617382 /nfs/dbraw/zinc/61/73/82/350617382.db2.gz QNSNTZDMBDSMBN-BBRMVZONSA-N 1 1 287.411 2.907 20 30 CFEDMO Cc1cc(C#N)cc(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)n1 ZINC000601106833 350669701 /nfs/dbraw/zinc/66/97/01/350669701.db2.gz YABQAZHAQKBRFX-TZMCWYRMSA-N 1 1 272.396 2.794 20 30 CFEDMO CC[N@H+]1CCCN(C(=O)Nc2cccc(C#N)c2)[C@@H](C)C1 ZINC000601229031 350703651 /nfs/dbraw/zinc/70/36/51/350703651.db2.gz CHZKGTSLSIHGDY-ZDUSSCGKSA-N 1 1 286.379 2.506 20 30 CFEDMO C[C@@H]1CN(c2ncc(C#N)c3ccsc32)C[C@H](C)[N@@H+]1C ZINC000601168944 350687203 /nfs/dbraw/zinc/68/72/03/350687203.db2.gz GKQHZISKSJOAKG-PHIMTYICSA-N 1 1 286.404 2.697 20 30 CFEDMO C[C@H](C(=O)Nc1cc(F)cc(C#N)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000601715676 350768368 /nfs/dbraw/zinc/76/83/68/350768368.db2.gz OBLTYLCZHDEPNP-GRYCIOLGSA-N 1 1 289.354 2.897 20 30 CFEDMO C[C@H](C#N)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000601726096 350768952 /nfs/dbraw/zinc/76/89/52/350768952.db2.gz FQCIISDYNAAZOX-WBVHZDCISA-N 1 1 299.418 2.707 20 30 CFEDMO N#CCc1ccc(C[N@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000601974557 350822504 /nfs/dbraw/zinc/82/25/04/350822504.db2.gz KUBDZZVNUZKHAD-CQSZACIVSA-N 1 1 280.318 2.609 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601975291 350822579 /nfs/dbraw/zinc/82/25/79/350822579.db2.gz MXTLGJHQCVCGQK-RISCZKNCSA-N 1 1 280.318 2.975 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601976434 350822730 /nfs/dbraw/zinc/82/27/30/350822730.db2.gz PXPRNBJYJFGOHF-SMDDNHRTSA-N 1 1 280.318 2.975 20 30 CFEDMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)CC(C)(C)C#N)C2)c1 ZINC000601851670 350791900 /nfs/dbraw/zinc/79/19/00/350791900.db2.gz WATNOFRIIMGOQU-INIZCTEOSA-N 1 1 299.418 2.625 20 30 CFEDMO CC[C@](C)(C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000601851667 350792239 /nfs/dbraw/zinc/79/22/39/350792239.db2.gz VZQGRHQTXQKBIA-SJLPKXTDSA-N 1 1 299.418 2.625 20 30 CFEDMO N#Cc1c(F)cccc1CNCC1CC[NH+](C2CC2)CC1 ZINC000602018186 350833041 /nfs/dbraw/zinc/83/30/41/350833041.db2.gz WQMIHXFOMHWKMW-UHFFFAOYSA-N 1 1 287.382 2.661 20 30 CFEDMO CC(C)[N@@H+](C)C[C@H](C)NCc1cccc(F)c1C#N ZINC000602023515 350834820 /nfs/dbraw/zinc/83/48/20/350834820.db2.gz JLWQICMTUMNWSJ-LBPRGKRZSA-N 1 1 263.360 2.516 20 30 CFEDMO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(C#N)c1 ZINC000602022871 350834876 /nfs/dbraw/zinc/83/48/76/350834876.db2.gz WNLWWKHNOFMEGV-BBRMVZONSA-N 1 1 271.408 2.987 20 30 CFEDMO N#CCc1ccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000602046591 350836974 /nfs/dbraw/zinc/83/69/74/350836974.db2.gz TWJBMZYOMNHVGK-MRXNPFEDSA-N 1 1 283.375 2.708 20 30 CFEDMO C[N@H+]1CCCC[C@H]1C(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000602051719 350837023 /nfs/dbraw/zinc/83/70/23/350837023.db2.gz IMIXZZYLNRTOHM-KRWDZBQOSA-N 1 1 297.402 2.534 20 30 CFEDMO C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000602096127 350839772 /nfs/dbraw/zinc/83/97/72/350839772.db2.gz IZDLAMWFQGHSKS-KGLIPLIRSA-N 1 1 291.782 2.505 20 30 CFEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000602096127 350839774 /nfs/dbraw/zinc/83/97/74/350839774.db2.gz IZDLAMWFQGHSKS-KGLIPLIRSA-N 1 1 291.782 2.505 20 30 CFEDMO C[N@@H+]1CCCC[C@H]1C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000602097670 350840502 /nfs/dbraw/zinc/84/05/02/350840502.db2.gz UAHXBJRMESITTC-HNNXBMFYSA-N 1 1 289.354 2.557 20 30 CFEDMO C[N@H+]1CCCC[C@H]1C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000602097670 350840505 /nfs/dbraw/zinc/84/05/05/350840505.db2.gz UAHXBJRMESITTC-HNNXBMFYSA-N 1 1 289.354 2.557 20 30 CFEDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602477588 350898734 /nfs/dbraw/zinc/89/87/34/350898734.db2.gz TWAOTEOEKQGQQN-GOSISDBHSA-N 1 1 295.386 2.726 20 30 CFEDMO CC[C@@H]1C[N@@H+](C[C@@H](C)CCC#N)CCN1CC(F)F ZINC000602479121 350899454 /nfs/dbraw/zinc/89/94/54/350899454.db2.gz FNICSJFRHADQLA-QWHCGFSZSA-N 1 1 273.371 2.588 20 30 CFEDMO COC(=O)[C@H]1c2ccccc2CC[N@H+]1C[C@@H](C)CCC#N ZINC000602479506 350899709 /nfs/dbraw/zinc/89/97/09/350899709.db2.gz MSCCAOHJQOBDNG-XJKSGUPXSA-N 1 1 286.375 2.699 20 30 CFEDMO COC(=O)[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](C)CCC#N ZINC000602479506 350899711 /nfs/dbraw/zinc/89/97/11/350899711.db2.gz MSCCAOHJQOBDNG-XJKSGUPXSA-N 1 1 286.375 2.699 20 30 CFEDMO CC[N@@H+](CCc1nccs1)C[C@H](C)CCC#N ZINC000602479384 350900254 /nfs/dbraw/zinc/90/02/54/350900254.db2.gz JVLBLNVCLKRNQJ-GFCCVEGCSA-N 1 1 251.399 2.947 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000602478413 350900275 /nfs/dbraw/zinc/90/02/75/350900275.db2.gz XULYZNFKVAMWLW-LSDHHAIUSA-N 1 1 250.386 2.819 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000602486836 350903486 /nfs/dbraw/zinc/90/34/86/350903486.db2.gz VWGDKHUUKGOQOW-CQSZACIVSA-N 1 1 295.390 2.701 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000602486836 350903487 /nfs/dbraw/zinc/90/34/87/350903487.db2.gz VWGDKHUUKGOQOW-CQSZACIVSA-N 1 1 295.390 2.701 20 30 CFEDMO COC(=O)c1ccc2c(c1)C[N@H+](C[C@@H](C)CCC#N)CC2 ZINC000602595019 350939994 /nfs/dbraw/zinc/93/99/94/350939994.db2.gz FMGZYBLCBREXOO-ZDUSSCGKSA-N 1 1 286.375 2.771 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000602598672 350940591 /nfs/dbraw/zinc/94/05/91/350940591.db2.gz CRVQDGDMWIUNQV-GDBMZVCRSA-N 1 1 257.381 2.886 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602430027 350878866 /nfs/dbraw/zinc/87/88/66/350878866.db2.gz UWYQPIJSRAXIRQ-UHFFFAOYSA-N 1 1 250.342 2.508 20 30 CFEDMO Cc1ccc(NC(=O)C[N@H+](C)C[C@H](C)CCC#N)cc1 ZINC000602431400 350879277 /nfs/dbraw/zinc/87/92/77/350879277.db2.gz CVXGGPYXSUPXHP-CQSZACIVSA-N 1 1 273.380 2.805 20 30 CFEDMO C[C@@H](CCC#N)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000602429506 350879336 /nfs/dbraw/zinc/87/93/36/350879336.db2.gz DSJAJBJDZHZCFP-KRWDZBQOSA-N 1 1 285.435 2.787 20 30 CFEDMO C[C@H](CCC#N)CN1CC[NH+](CCc2cccs2)CC1 ZINC000602438236 350882499 /nfs/dbraw/zinc/88/24/99/350882499.db2.gz CPUCWLVTQQJJIV-OAHLLOKOSA-N 1 1 291.464 2.848 20 30 CFEDMO C[C@@H](CCC#N)C[NH+]1CCN(CCC(C)(C)C)CC1 ZINC000602450528 350888123 /nfs/dbraw/zinc/88/81/23/350888123.db2.gz XRZKNQKOJAUQLY-HNNXBMFYSA-N 1 1 265.445 2.980 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000602456156 350889339 /nfs/dbraw/zinc/88/93/39/350889339.db2.gz VGVJHBMHJLBXHE-CYBMUJFWSA-N 1 1 258.365 2.733 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H](N2CCCC2)C1 ZINC000602466468 350892693 /nfs/dbraw/zinc/89/26/93/350892693.db2.gz VOKDZCAHSJTSRS-HZPDHXFCSA-N 1 1 263.429 2.877 20 30 CFEDMO C[C@H](CCC#N)CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000602466468 350892695 /nfs/dbraw/zinc/89/26/95/350892695.db2.gz VOKDZCAHSJTSRS-HZPDHXFCSA-N 1 1 263.429 2.877 20 30 CFEDMO C=CCCC[N@H+](C)Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602473376 350896310 /nfs/dbraw/zinc/89/63/10/350896310.db2.gz MPQGQBVMDNNHAI-UHFFFAOYSA-N 1 1 250.342 2.508 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000602476050 350896868 /nfs/dbraw/zinc/89/68/68/350896868.db2.gz VHYUXVLCFYQUMT-LBPRGKRZSA-N 1 1 285.351 2.503 20 30 CFEDMO COc1cc2c(cc1OC)[C@H]([NH2+]CC1(C#N)CC1)CC2 ZINC000602642029 350958433 /nfs/dbraw/zinc/95/84/33/350958433.db2.gz HAGMHZHHLFQKEV-CYBMUJFWSA-N 1 1 272.348 2.584 20 30 CFEDMO C=C(C)C[C@H]([NH2+][C@@H](C)CCC(F)(F)F)C(=O)OC ZINC000602735679 351007268 /nfs/dbraw/zinc/00/72/68/351007268.db2.gz ZDALMLUGAIGCBB-UWVGGRQHSA-N 1 1 267.291 2.815 20 30 CFEDMO Cc1noc([C@H]2CCCC[N@@H+]2C[C@H](C)CCC#N)n1 ZINC000602652743 350962220 /nfs/dbraw/zinc/96/22/20/350962220.db2.gz FPSKRYJUXYHGCJ-DGCLKSJQSA-N 1 1 262.357 2.845 20 30 CFEDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(C#N)n1 ZINC000602651641 350962242 /nfs/dbraw/zinc/96/22/42/350962242.db2.gz UHSJLEQAVMRGKQ-UHFFFAOYSA-N 1 1 296.330 2.536 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000602660530 350965633 /nfs/dbraw/zinc/96/56/33/350965633.db2.gz FGFACPSXVXLKOM-NWDGAFQWSA-N 1 1 278.318 2.706 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602664327 350967248 /nfs/dbraw/zinc/96/72/48/350967248.db2.gz UQJHWDGRVIYULQ-ZIAGYGMSSA-N 1 1 280.412 2.980 20 30 CFEDMO CC[N@H+](CCCN1CCCC1)C[C@H](C)CCC#N ZINC000602664374 350967432 /nfs/dbraw/zinc/96/74/32/350967432.db2.gz VVINZKGFORVTNR-OAHLLOKOSA-N 1 1 251.418 2.734 20 30 CFEDMO CC[N@@H+](CCCN1CCCC1)C[C@H](C)CCC#N ZINC000602664374 350967435 /nfs/dbraw/zinc/96/74/35/350967435.db2.gz VVINZKGFORVTNR-OAHLLOKOSA-N 1 1 251.418 2.734 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000602665789 350967807 /nfs/dbraw/zinc/96/78/07/350967807.db2.gz CLVGOQUBXHKLQA-KFWWJZLASA-N 1 1 262.397 2.960 20 30 CFEDMO Cc1[nH+]c(NC[C@@H](C)CCC#N)ccc1-c1cnn(C)c1 ZINC000602670318 350969536 /nfs/dbraw/zinc/96/95/36/350969536.db2.gz DMOPCKZIKBQASY-LBPRGKRZSA-N 1 1 283.379 2.564 20 30 CFEDMO CC[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CCOC(C)(C)C1 ZINC000602671162 350970683 /nfs/dbraw/zinc/97/06/83/350970683.db2.gz RGUHMBIUDBTNHG-OAHLLOKOSA-N 1 1 273.380 2.733 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000602675309 350973011 /nfs/dbraw/zinc/97/30/11/350973011.db2.gz LYRBJERTNXTKQQ-LXTVHRRPSA-N 1 1 250.386 2.552 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000602677050 350973935 /nfs/dbraw/zinc/97/39/35/350973935.db2.gz RGDSSWZDKRNQDS-ZFWWWQNUSA-N 1 1 262.397 2.817 20 30 CFEDMO C=CCC[C@@H]([NH2+][C@H]1CCC12CCC2)C(=O)OCC ZINC000602683264 350976397 /nfs/dbraw/zinc/97/63/97/350976397.db2.gz VAWGCADWNXSAJX-OLZOCXBDSA-N 1 1 251.370 2.807 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000602695076 350982423 /nfs/dbraw/zinc/98/24/23/350982423.db2.gz CMOYNDHUCPVDGY-WBVHZDCISA-N 1 1 299.418 2.565 20 30 CFEDMO Cc1cc(C)c(/C=C\C[N@H+]2CC[C@@](O)(CC#N)C2)c(C)c1 ZINC000602694670 350982764 /nfs/dbraw/zinc/98/27/64/350982764.db2.gz ATQZSIZSDFPOIF-XDXAGZTOSA-N 1 1 284.403 2.976 20 30 CFEDMO N#CC[C@@]1(O)CC[N@H+](Cc2ccccc2CC(F)(F)F)C1 ZINC000602696152 350983288 /nfs/dbraw/zinc/98/32/88/350983288.db2.gz ILMIXXPYCQFGLM-CQSZACIVSA-N 1 1 298.308 2.642 20 30 CFEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2ccccc2CC(F)(F)F)C1 ZINC000602696152 350983291 /nfs/dbraw/zinc/98/32/91/350983291.db2.gz ILMIXXPYCQFGLM-CQSZACIVSA-N 1 1 298.308 2.642 20 30 CFEDMO CO[C@@](C)(C[N@@H+]1Cc2cccc(C#N)c2C1)C1CC1 ZINC000602708082 350992256 /nfs/dbraw/zinc/99/22/56/350992256.db2.gz WSDHINGUFDQWFW-INIZCTEOSA-N 1 1 256.349 2.689 20 30 CFEDMO CO[C@@](C)(C[N@H+]1Cc2cccc(C#N)c2C1)C1CC1 ZINC000602708082 350992259 /nfs/dbraw/zinc/99/22/59/350992259.db2.gz WSDHINGUFDQWFW-INIZCTEOSA-N 1 1 256.349 2.689 20 30 CFEDMO Cc1ncc([C@@H](C)[N@H+]2CCC[C@H](CC#N)C2)c(C)n1 ZINC000602710867 350993028 /nfs/dbraw/zinc/99/30/28/350993028.db2.gz ZAMUBILFYQHBLD-TZMCWYRMSA-N 1 1 258.369 2.780 20 30 CFEDMO CO[C@@](C)(C[N@H+]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000602712527 350994684 /nfs/dbraw/zinc/99/46/84/350994684.db2.gz UECRVFVLOWGYRH-INIZCTEOSA-N 1 1 256.349 2.689 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000602714957 350995471 /nfs/dbraw/zinc/99/54/71/350995471.db2.gz KNEWDUYSDLOUAF-HOCLYGCPSA-N 1 1 273.380 2.612 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)n1 ZINC000602716155 350996409 /nfs/dbraw/zinc/99/64/09/350996409.db2.gz IVQSAIMFMJFATC-RHSMWYFYSA-N 1 1 285.391 2.734 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](C3CCC3)C2)n1 ZINC000602716192 350996625 /nfs/dbraw/zinc/99/66/25/350996625.db2.gz AKAWLLPLEGZZPC-AWEZNQCLSA-N 1 1 255.365 2.965 20 30 CFEDMO CN(c1ccccc1)[C@@H]1CC[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602718375 350998120 /nfs/dbraw/zinc/99/81/20/350998120.db2.gz NNKVQFYURYKSFV-GOSISDBHSA-N 1 1 292.386 2.664 20 30 CFEDMO C[C@@]1(C#N)CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000602719172 350998992 /nfs/dbraw/zinc/99/89/92/350998992.db2.gz UPAQNRAYUIZIHT-RDJZCZTQSA-N 1 1 269.392 2.748 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000602727506 351002221 /nfs/dbraw/zinc/00/22/21/351002221.db2.gz VOKCVDMUWIUVFD-GFCCVEGCSA-N 1 1 270.380 2.652 20 30 CFEDMO CC[C@@]1(O)CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000602740958 351009918 /nfs/dbraw/zinc/00/99/18/351009918.db2.gz SIODGBUWPMEJPL-GOSISDBHSA-N 1 1 284.403 2.979 20 30 CFEDMO COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CCC[C@H]1C#N)CC2 ZINC000602608661 350944253 /nfs/dbraw/zinc/94/42/53/350944253.db2.gz VKLRSNIMCOEDID-NWANDNLSSA-N 1 1 286.375 2.973 20 30 CFEDMO CCC[N@H+](CC(=O)OC(C)(C)C)C[C@@H](C)CCC#N ZINC000602612685 350946395 /nfs/dbraw/zinc/94/63/95/350946395.db2.gz KQEQJFZQGZXSAA-ZDUSSCGKSA-N 1 1 268.401 2.980 20 30 CFEDMO N#Cc1cccc(C[NH2+]Cc2ccc3c(n2)CCCC3)n1 ZINC000602634130 350954266 /nfs/dbraw/zinc/95/42/66/350954266.db2.gz ONLDTMMNGOCFEH-UHFFFAOYSA-N 1 1 278.359 2.517 20 30 CFEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)CC1(CC#N)CC1 ZINC000602773395 351020418 /nfs/dbraw/zinc/02/04/18/351020418.db2.gz PTXBTANTFNDARY-UHFFFAOYSA-N 1 1 299.418 2.904 20 30 CFEDMO C[N@@H+](CC1(CC#N)CC1)[C@@H](CCO)c1ccccc1 ZINC000602778987 351022406 /nfs/dbraw/zinc/02/24/06/351022406.db2.gz DSBSQDIHFQKLQY-HNNXBMFYSA-N 1 1 258.365 2.736 20 30 CFEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000602788740 351026106 /nfs/dbraw/zinc/02/61/06/351026106.db2.gz QAJFRCGOPMDIEQ-AWEZNQCLSA-N 1 1 258.369 2.559 20 30 CFEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC1(CC#N)CC1 ZINC000602788741 351026483 /nfs/dbraw/zinc/02/64/83/351026483.db2.gz QAJFRCGOPMDIEQ-CQSZACIVSA-N 1 1 258.369 2.559 20 30 CFEDMO CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602795285 351028070 /nfs/dbraw/zinc/02/80/70/351028070.db2.gz HPWWMYNYAAXKNR-CQSZACIVSA-N 1 1 287.411 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ZINC000301841262 201228706 /nfs/dbraw/zinc/22/87/06/201228706.db2.gz PMHMPCAGKUUHPN-UHFFFAOYSA-N 1 1 295.390 2.801 20 30 CFEDMO Cc1ncc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)cn1 ZINC000425365572 239030568 /nfs/dbraw/zinc/03/05/68/239030568.db2.gz LWUPUWNZNOXEEA-GFCCVEGCSA-N 1 1 266.348 2.850 20 30 CFEDMO Cc1ncc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cn1 ZINC000425365572 239030573 /nfs/dbraw/zinc/03/05/73/239030573.db2.gz LWUPUWNZNOXEEA-GFCCVEGCSA-N 1 1 266.348 2.850 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N1CCC(C)CC1 ZINC000425533756 239092614 /nfs/dbraw/zinc/09/26/14/239092614.db2.gz LCEDCZGKUNTKFW-OAHLLOKOSA-N 1 1 299.418 2.810 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CCC(C)CC1 ZINC000425533756 239092619 /nfs/dbraw/zinc/09/26/19/239092619.db2.gz LCEDCZGKUNTKFW-OAHLLOKOSA-N 1 1 299.418 2.810 20 30 CFEDMO CC(=O)c1ccc(C#N)cc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000302078577 201334620 /nfs/dbraw/zinc/33/46/20/201334620.db2.gz BAZNISPWKGLXRT-AWEZNQCLSA-N 1 1 271.364 2.515 20 30 CFEDMO N#Cc1ccc(C[N@@H+](CCO)Cc2cccc(F)c2)s1 ZINC000426387542 239214242 /nfs/dbraw/zinc/21/42/42/239214242.db2.gz BWUCCDVHDUEWFF-UHFFFAOYSA-N 1 1 290.363 2.753 20 30 CFEDMO N#Cc1ccc(C[N@H+](CCO)Cc2cccc(F)c2)s1 ZINC000426387542 239214248 /nfs/dbraw/zinc/21/42/48/239214248.db2.gz BWUCCDVHDUEWFF-UHFFFAOYSA-N 1 1 290.363 2.753 20 30 CFEDMO CCC[N@H+]1CC[C@H](CNc2cc(C#N)ccc2C(C)=O)C1 ZINC000302128987 201354475 /nfs/dbraw/zinc/35/44/75/201354475.db2.gz XLGCVWWYIARYGY-OAHLLOKOSA-N 1 1 285.391 2.905 20 30 CFEDMO C=CC[N@H+](C)Cc1cncc(Br)c1C ZINC000668010738 541365878 /nfs/dbraw/zinc/36/58/78/541365878.db2.gz GQYFVXWJEHYCNE-UHFFFAOYSA-N 1 1 255.159 2.770 20 30 CFEDMO Cc1[nH+]ccn1CCCCn1nc(C#N)c2ccccc21 ZINC000432482192 240013590 /nfs/dbraw/zinc/01/35/90/240013590.db2.gz FKRXJNBFLQWEAA-UHFFFAOYSA-N 1 1 279.347 2.893 20 30 CFEDMO Cc1ccc(NC[C@H]2CCC[N@H+]2C2CCCCC2)nc1C#N ZINC000435594374 240328269 /nfs/dbraw/zinc/32/82/69/240328269.db2.gz WNZRJLQOBXNHSJ-MRXNPFEDSA-N 1 1 298.434 2.893 20 30 CFEDMO C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000443637077 241079430 /nfs/dbraw/zinc/07/94/30/241079430.db2.gz FHZXNHBQTAKFSQ-KBPBESRZSA-N 1 1 285.391 2.865 20 30 CFEDMO Cc1csc(C[NH2+]Cc2ccc(C#N)c(C)c2)n1 ZINC000443965612 241098005 /nfs/dbraw/zinc/09/80/05/241098005.db2.gz KDLLMUSIMUTOFC-UHFFFAOYSA-N 1 1 257.362 2.921 20 30 CFEDMO Cc1cc(CNCC[NH+]2CCC(C)CC2)ccc1C#N ZINC000443976394 241099667 /nfs/dbraw/zinc/09/96/67/241099667.db2.gz FCEQHVZUKNCGMT-UHFFFAOYSA-N 1 1 271.408 2.688 20 30 CFEDMO Cc1cc(CNCC[N@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000443987522 241103336 /nfs/dbraw/zinc/10/33/36/241103336.db2.gz HKJWXMKBBZGEPJ-HNNXBMFYSA-N 1 1 271.408 2.831 20 30 CFEDMO Cc1cc(CNCC[N@@H+]2CCCC[C@@H]2C)ccc1C#N ZINC000443987522 241103344 /nfs/dbraw/zinc/10/33/44/241103344.db2.gz HKJWXMKBBZGEPJ-HNNXBMFYSA-N 1 1 271.408 2.831 20 30 CFEDMO Cc1cc(C[N@@H+](C)Cc2ccncc2)ccc1C#N ZINC000446755594 241322898 /nfs/dbraw/zinc/32/28/98/241322898.db2.gz XARSEFZFRNANIM-UHFFFAOYSA-N 1 1 251.333 2.894 20 30 CFEDMO Cn1cc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1C#N ZINC000449532860 242009246 /nfs/dbraw/zinc/00/92/46/242009246.db2.gz DRLDUCCZWCTBFQ-JKSUJKDBSA-N 1 1 255.365 2.517 20 30 CFEDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000449561203 242032815 /nfs/dbraw/zinc/03/28/15/242032815.db2.gz BLWLBTDEPCSIED-GFCCVEGCSA-N 1 1 254.337 2.625 20 30 CFEDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)s2)CC1 ZINC000449781011 242156771 /nfs/dbraw/zinc/15/67/71/242156771.db2.gz WPOBVPUHSBNFBU-GFCCVEGCSA-N 1 1 264.394 2.868 20 30 CFEDMO COC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000265565998 284010380 /nfs/dbraw/zinc/01/03/80/284010380.db2.gz WAFHPXWBHRZHRW-IUODEOHRSA-N 1 1 272.348 2.504 20 30 CFEDMO C=C(C)C[NH2+]Cc1cccc(Cl)c1S(=O)(=O)CC ZINC000276000720 193185595 /nfs/dbraw/zinc/18/55/95/193185595.db2.gz OSGPPIZCCSJUOD-UHFFFAOYSA-N 1 1 287.812 2.799 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)C[C@H]1CCCC[C@H]1O ZINC000574330419 335011034 /nfs/dbraw/zinc/01/10/34/335011034.db2.gz VPCUARNUPFIBAE-GDBMZVCRSA-N 1 1 263.381 2.861 20 30 CFEDMO OCCC[N@@H+](CC#Cc1cccc(Cl)c1)C1CC1 ZINC000676605838 541770826 /nfs/dbraw/zinc/77/08/26/541770826.db2.gz DMAGDBUSUPTHCX-UHFFFAOYSA-N 1 1 263.768 2.538 20 30 CFEDMO CCC(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000330826100 203282528 /nfs/dbraw/zinc/28/25/28/203282528.db2.gz OUUUWRDIDUUIOU-CJNGLKHVSA-N 1 1 285.391 2.610 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000276346145 193294474 /nfs/dbraw/zinc/29/44/74/193294474.db2.gz CVPHISZVQYFYPJ-GJZGRUSLSA-N 1 1 274.408 2.803 20 30 CFEDMO C#CC[C@@H]([NH2+]Cc1nccc(OC)c1OC)c1ccccc1 ZINC000276387948 193311477 /nfs/dbraw/zinc/31/14/77/193311477.db2.gz HUBCOHNUQAKFKD-OAHLLOKOSA-N 1 1 296.370 2.953 20 30 CFEDMO C=CCC[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000276406049 193318361 /nfs/dbraw/zinc/31/83/61/193318361.db2.gz LCFVUPOIYRICRX-UHFFFAOYSA-N 1 1 268.288 2.750 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000276440838 193332155 /nfs/dbraw/zinc/33/21/55/193332155.db2.gz OOKSKESHTFFTKT-LBPRGKRZSA-N 1 1 292.379 2.539 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000276506962 193360316 /nfs/dbraw/zinc/36/03/16/193360316.db2.gz XAQBJCRMTPMUPR-QGZVFWFLSA-N 1 1 272.392 2.762 20 30 CFEDMO C=CCC[N@H+](C)C[C@H](O)COc1ccc(C)cc1C ZINC000276470769 193344299 /nfs/dbraw/zinc/34/42/99/193344299.db2.gz RODCBDXIVNOAOQ-HNNXBMFYSA-N 1 1 263.381 2.551 20 30 CFEDMO C=CCC[N@@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000276523580 193367124 /nfs/dbraw/zinc/36/71/24/193367124.db2.gz ZBOYWFPFDKEZSU-UHFFFAOYSA-N 1 1 289.404 2.767 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000276523580 193367125 /nfs/dbraw/zinc/36/71/25/193367125.db2.gz ZBOYWFPFDKEZSU-UHFFFAOYSA-N 1 1 289.404 2.767 20 30 CFEDMO CC[C@H](C)[N@@H+](C)CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000231775436 189815368 /nfs/dbraw/zinc/81/53/68/189815368.db2.gz RUJZHXKEXBSSLW-NSHDSACASA-N 1 1 276.340 2.609 20 30 CFEDMO CCC#C[C@@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000677046718 541812837 /nfs/dbraw/zinc/81/28/37/541812837.db2.gz HEHCPUAPYSFQNG-OAHLLOKOSA-N 1 1 272.392 2.619 20 30 CFEDMO CCC#C[C@H](C)[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000677048475 541814005 /nfs/dbraw/zinc/81/40/05/541814005.db2.gz YSJHQOSIGKRLRW-HOTGVXAUSA-N 1 1 271.408 2.562 20 30 CFEDMO CCC#C[C@H](C)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000677048475 541814010 /nfs/dbraw/zinc/81/40/10/541814010.db2.gz YSJHQOSIGKRLRW-HOTGVXAUSA-N 1 1 271.408 2.562 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(C2CC2)nc1 ZINC000459291153 245124396 /nfs/dbraw/zinc/12/43/96/245124396.db2.gz CIRQALDATLSSAH-UHFFFAOYSA-N 1 1 278.359 2.858 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(C2CC2)nc1 ZINC000459291153 245124398 /nfs/dbraw/zinc/12/43/98/245124398.db2.gz CIRQALDATLSSAH-UHFFFAOYSA-N 1 1 278.359 2.858 20 30 CFEDMO CCC[N@H+](Cc1cnnn1CC)Cc1ccc(C#N)cc1 ZINC000459295151 245124714 /nfs/dbraw/zinc/12/47/14/245124714.db2.gz HKFXEZUBWBBLIX-UHFFFAOYSA-N 1 1 283.379 2.582 20 30 CFEDMO CCC[N@@H+](Cc1cnnn1CC)Cc1ccc(C#N)cc1 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C=C(C)COCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000090451242 375015564 /nfs/dbraw/zinc/01/55/64/375015564.db2.gz WGZRUKBDCAFYGB-UHFFFAOYSA-N 1 1 280.456 2.966 20 30 CFEDMO C[C@H]1COCC[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000091814815 375064691 /nfs/dbraw/zinc/06/46/91/375064691.db2.gz NBNTWHXDWSSLID-AWEZNQCLSA-N 1 1 274.364 2.590 20 30 CFEDMO C[C@H]1COCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000091814815 375064693 /nfs/dbraw/zinc/06/46/93/375064693.db2.gz NBNTWHXDWSSLID-AWEZNQCLSA-N 1 1 274.364 2.590 20 30 CFEDMO CN(C[C@@H]1CCC[N@H+]1C)c1cccc(Cl)c1C#N ZINC000092630902 375132039 /nfs/dbraw/zinc/13/20/39/375132039.db2.gz JVWHADUVGOMINP-NSHDSACASA-N 1 1 263.772 2.742 20 30 CFEDMO CCCCOc1ccc(C[NH+]2CCN(CC#N)CC2)cc1 ZINC000092936358 375167969 /nfs/dbraw/zinc/16/79/69/375167969.db2.gz MZYVRDIOVDWODV-UHFFFAOYSA-N 1 1 287.407 2.507 20 30 CFEDMO CC[C@@H](C)C[N@@H+](CC)C[C@H](O)c1ccc(C#N)cc1 ZINC000093250980 375199066 /nfs/dbraw/zinc/19/90/66/375199066.db2.gz FIOCEXYFCOHAPQ-CJNGLKHVSA-N 1 1 260.381 2.960 20 30 CFEDMO 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C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](CC)CC(=C)C ZINC000125948501 377203818 /nfs/dbraw/zinc/20/38/18/377203818.db2.gz GHTXLYFWMBOLSK-CQSZACIVSA-N 1 1 252.402 2.698 20 30 CFEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000125953448 377203868 /nfs/dbraw/zinc/20/38/68/377203868.db2.gz XVVCUTYTUWEAQK-SHARSMKWSA-N 1 1 266.429 2.968 20 30 CFEDMO C=C(C)COCC[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000128047317 377315628 /nfs/dbraw/zinc/31/56/28/377315628.db2.gz MCONNLGZDRUTRV-HNNXBMFYSA-N 1 1 271.364 2.681 20 30 CFEDMO CCCC(N)=[NH+]OCc1nnc(-c2ccccc2)s1 ZINC000127982083 377309802 /nfs/dbraw/zinc/30/98/02/377309802.db2.gz MJKLIAOTUPWGMJ-UHFFFAOYSA-N 1 1 276.365 2.794 20 30 CFEDMO C=CCC(C)(C)CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000432079106 383720286 /nfs/dbraw/zinc/72/02/86/383720286.db2.gz KLNSEZYGZLNRHB-CQSZACIVSA-N 1 1 293.455 2.905 20 30 CFEDMO C#CCCOc1ccc(CN[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000264935385 190146069 /nfs/dbraw/zinc/14/60/69/190146069.db2.gz CMPHSKSKSNHKJE-MOPGFXCFSA-N 1 1 298.430 2.805 20 30 CFEDMO C#CCCOc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1 ZINC000264935385 190146070 /nfs/dbraw/zinc/14/60/70/190146070.db2.gz CMPHSKSKSNHKJE-MOPGFXCFSA-N 1 1 298.430 2.805 20 30 CFEDMO C#CCCOc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000264935387 190146298 /nfs/dbraw/zinc/14/62/98/190146298.db2.gz CMPHSKSKSNHKJE-OALUTQOASA-N 1 1 298.430 2.805 20 30 CFEDMO C#CCCOc1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1 ZINC000264935387 190146299 /nfs/dbraw/zinc/14/62/99/190146299.db2.gz CMPHSKSKSNHKJE-OALUTQOASA-N 1 1 298.430 2.805 20 30 CFEDMO CC(C)C(N)=[NH+]OCc1noc(-c2ccc(Cl)cc2)n1 ZINC000128607373 377349269 /nfs/dbraw/zinc/34/92/69/377349269.db2.gz LNSQRXWSJFSMFP-UHFFFAOYSA-N 1 1 294.742 2.835 20 30 CFEDMO C#CCCOc1ccc(CN[C@H](C)CC[NH+](C)C)cc1 ZINC000264963662 190148318 /nfs/dbraw/zinc/14/83/18/190148318.db2.gz OVBNCJCJNZPSAP-OAHLLOKOSA-N 1 1 274.408 2.519 20 30 CFEDMO C#CCCOc1ccc(C[NH2+][C@H](C)CCN(C)C)cc1 ZINC000264963662 190148319 /nfs/dbraw/zinc/14/83/19/190148319.db2.gz 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CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cccc(C#N)c1 ZINC000289561891 381043104 /nfs/dbraw/zinc/04/31/04/381043104.db2.gz RBFRLHXJXGFWIJ-CYBMUJFWSA-N 1 1 288.395 2.800 20 30 CFEDMO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCC1(F)F ZINC000289681096 381101365 /nfs/dbraw/zinc/10/13/65/381101365.db2.gz GKQKCLFNUBNQMI-GFCCVEGCSA-N 1 1 280.318 2.914 20 30 CFEDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000368662253 381102657 /nfs/dbraw/zinc/10/26/57/381102657.db2.gz ZHCJEEPSCVUBHT-LBPRGKRZSA-N 1 1 264.394 2.868 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)o1 ZINC000289702026 381111151 /nfs/dbraw/zinc/11/11/51/381111151.db2.gz GCSWITJBUJQGGV-OAHLLOKOSA-N 1 1 253.305 2.883 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccncc2)o1 ZINC000289702026 381111158 /nfs/dbraw/zinc/11/11/58/381111158.db2.gz GCSWITJBUJQGGV-OAHLLOKOSA-N 1 1 253.305 2.883 20 30 CFEDMO C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000354208553 381141285 /nfs/dbraw/zinc/14/12/85/381141285.db2.gz OQROCOVLLJBAQE-GHMZBOCLSA-N 1 1 277.393 2.679 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000368886203 381157043 /nfs/dbraw/zinc/15/70/43/381157043.db2.gz BCJJNBHKRAIXDO-CXAGYDPISA-N 1 1 286.375 2.588 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](C3CC3)C2)cc1 ZINC000368886203 381157051 /nfs/dbraw/zinc/15/70/51/381157051.db2.gz BCJJNBHKRAIXDO-CXAGYDPISA-N 1 1 286.375 2.588 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000279348730 194395743 /nfs/dbraw/zinc/39/57/43/194395743.db2.gz VHOBWMWGYDLMHR-UHFFFAOYSA-N 1 1 278.783 2.931 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C ZINC000279348730 194395745 /nfs/dbraw/zinc/39/57/45/194395745.db2.gz VHOBWMWGYDLMHR-UHFFFAOYSA-N 1 1 278.783 2.931 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000368755379 381125109 /nfs/dbraw/zinc/12/51/09/381125109.db2.gz GMXVBPZXCXRILI-INIZCTEOSA-N 1 1 278.359 2.728 20 30 CFEDMO C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1C ZINC000182824953 381166975 /nfs/dbraw/zinc/16/69/75/381166975.db2.gz BLQDWYJEIFFSAI-CKEIUWERSA-N 1 1 297.402 2.784 20 30 CFEDMO N#Cc1ccc(F)c(C[NH+]2CCC(n3cccn3)CC2)c1 ZINC000369125643 381197027 /nfs/dbraw/zinc/19/70/27/381197027.db2.gz NYZSPBASSDSMTH-UHFFFAOYSA-N 1 1 284.338 2.731 20 30 CFEDMO C=C(CC)C[N@H+]1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000342169251 381218626 /nfs/dbraw/zinc/21/86/26/381218626.db2.gz KCXBTEXUZQLIGZ-UKRRQHHQSA-N 1 1 251.370 2.618 20 30 CFEDMO C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CCC1(F)F ZINC000289896784 381206555 /nfs/dbraw/zinc/20/65/55/381206555.db2.gz SHEHSCYGHWEIAJ-BXUZGUMPSA-N 1 1 280.318 2.569 20 30 CFEDMO COc1cc([C@H](C)[NH2+]Cc2cccc(C#N)c2F)ccn1 ZINC000347544443 381212524 /nfs/dbraw/zinc/21/25/24/381212524.db2.gz SVMZKPINAMMOPG-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1nccc(C#N)c1Cl ZINC000342290056 381252018 /nfs/dbraw/zinc/25/20/18/381252018.db2.gz DCZCKXVDKPBEIL-ZDUSSCGKSA-N 1 1 292.814 2.917 20 30 CFEDMO CC1(C)C[N@H+](Cc2ccccc2C#N)[C@@H]1[C@H]1CCCO1 ZINC000289999428 381254956 /nfs/dbraw/zinc/25/49/56/381254956.db2.gz YYHMXODLNJGYRH-HZPDHXFCSA-N 1 1 270.376 2.948 20 30 CFEDMO CC1(C)C[N@@H+](Cc2ccccc2C#N)[C@@H]1[C@H]1CCCO1 ZINC000289999428 381254959 /nfs/dbraw/zinc/25/49/59/381254959.db2.gz YYHMXODLNJGYRH-HZPDHXFCSA-N 1 1 270.376 2.948 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000289966084 381240353 /nfs/dbraw/zinc/24/03/53/381240353.db2.gz IWHMOJGIFDLGRT-ZIAGYGMSSA-N 1 1 283.293 2.556 20 30 CFEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)c1 ZINC000289990558 381250795 /nfs/dbraw/zinc/25/07/95/381250795.db2.gz CFBVDYHFVBOSEC-HOCLYGCPSA-N 1 1 275.392 2.844 20 30 CFEDMO C[C@@H]1C[C@@H](N(C)c2nccc(C#N)c2Cl)CC[N@H+]1C ZINC000342352218 381290299 /nfs/dbraw/zinc/29/02/99/381290299.db2.gz UDSVJRXTOFEFPB-PWSUYJOCSA-N 1 1 278.787 2.526 20 30 CFEDMO CC(=O)NCC[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000347683689 381296582 /nfs/dbraw/zinc/29/65/82/381296582.db2.gz YDGWIYYOMQGCOE-GOEBONIOSA-N 1 1 299.418 2.857 20 30 CFEDMO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(F)c(C#N)c2)[C@@H](C)C1 ZINC000347700837 381304285 /nfs/dbraw/zinc/30/42/85/381304285.db2.gz HAHBWGBJKAKKBW-BETUJISGSA-N 1 1 275.371 2.612 20 30 CFEDMO C=CCC(C)(C)C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000342336674 381283553 /nfs/dbraw/zinc/28/35/53/381283553.db2.gz WRRGGPJYBYZUAG-GASCZTMLSA-N 1 1 296.455 2.594 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)c2nccc(C#N)c2Cl)C[C@@H]1C ZINC000342343081 381285171 /nfs/dbraw/zinc/28/51/71/381285171.db2.gz AHOSHIRIDYSTNV-WCQYABFASA-N 1 1 292.814 2.916 20 30 CFEDMO C[C@H](C#N)CN(C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000342424825 381324827 /nfs/dbraw/zinc/32/48/27/381324827.db2.gz NEEQGGFRVLNLQL-WBVHZDCISA-N 1 1 299.418 2.659 20 30 CFEDMO CC[C@@H](CC#N)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000183859586 381329965 /nfs/dbraw/zinc/32/99/65/381329965.db2.gz VMMAIOPTUZCCOT-IRXDYDNUSA-N 1 1 299.418 2.850 20 30 CFEDMO CCC[N@H+](CCCN(C)C)Cc1ccc(C#N)c(OC)c1 ZINC000290419931 381423327 /nfs/dbraw/zinc/42/33/27/381423327.db2.gz KPYQXLXNLPHEKI-UHFFFAOYSA-N 1 1 289.423 2.731 20 30 CFEDMO CCC[N@@H+](CCCN(C)C)Cc1ccc(C#N)c(OC)c1 ZINC000290419931 381423333 /nfs/dbraw/zinc/42/33/33/381423333.db2.gz KPYQXLXNLPHEKI-UHFFFAOYSA-N 1 1 289.423 2.731 20 30 CFEDMO N#Cc1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)ccc1F ZINC000370434487 381446951 /nfs/dbraw/zinc/44/69/51/381446951.db2.gz UUCVBXYOEMHTSK-SOLBZPMBSA-N 1 1 299.393 2.613 20 30 CFEDMO Cc1c([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)cnn1C ZINC000347991189 381447711 /nfs/dbraw/zinc/44/77/11/381447711.db2.gz BREORNPPWJITNP-SNVBAGLBSA-N 1 1 272.327 2.590 20 30 CFEDMO CC[C@H](CO)[N@@H+](Cc1ccccc1)CC1(C#N)CC1 ZINC000342635438 381447878 /nfs/dbraw/zinc/44/78/78/381447878.db2.gz KMXLZVOMSUCUED-OAHLLOKOSA-N 1 1 258.365 2.563 20 30 CFEDMO C=CCOCCC[N@H+](CCC)C[C@H]1CCCCO1 ZINC000348036031 381454102 /nfs/dbraw/zinc/45/41/02/381454102.db2.gz PPDOAVYQPTYTAQ-OAHLLOKOSA-N 1 1 255.402 2.860 20 30 CFEDMO C=CCOCCC[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000348036279 381454388 /nfs/dbraw/zinc/45/43/88/381454388.db2.gz QPXXGDFBLBATII-MRXNPFEDSA-N 1 1 267.413 2.860 20 30 CFEDMO C=CCOCCC[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000348044961 381455707 /nfs/dbraw/zinc/45/57/07/381455707.db2.gz CDUKEFAJWVQGIY-KGLIPLIRSA-N 1 1 255.427 2.939 20 30 CFEDMO C=CCOCCC[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000348044838 381456278 /nfs/dbraw/zinc/45/62/78/381456278.db2.gz BVHKGTYHBDPIKA-INIZCTEOSA-N 1 1 275.392 2.980 20 30 CFEDMO C=CCOCCC[N@H+]1CCc2cc(OC)c(F)cc2C1 ZINC000348048799 381456291 /nfs/dbraw/zinc/45/62/91/381456291.db2.gz NWNWHEHZWJEIJT-UHFFFAOYSA-N 1 1 279.355 2.785 20 30 CFEDMO C=CCOCCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000348048041 381456415 /nfs/dbraw/zinc/45/64/15/381456415.db2.gz HCHJGYZOQACKKY-UHFFFAOYSA-N 1 1 297.402 2.823 20 30 CFEDMO C=CCOCCC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000348046325 381456519 /nfs/dbraw/zinc/45/65/19/381456519.db2.gz JCKAYDDYGOGWFH-MRXNPFEDSA-N 1 1 263.381 2.635 20 30 CFEDMO C=CCOCCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000348048633 381456689 /nfs/dbraw/zinc/45/66/89/381456689.db2.gz HHUBNYRLXSHVEX-AWEZNQCLSA-N 1 1 267.394 2.714 20 30 CFEDMO C=CCOCCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000348048633 381456697 /nfs/dbraw/zinc/45/66/97/381456697.db2.gz HHUBNYRLXSHVEX-AWEZNQCLSA-N 1 1 267.394 2.714 20 30 CFEDMO C=CCOCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000348044048 381457003 /nfs/dbraw/zinc/45/70/03/381457003.db2.gz YNNQXLCEIDKXPP-SFHVURJKSA-N 1 1 288.435 2.785 20 30 CFEDMO C=CCOCCCN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348044048 381457013 /nfs/dbraw/zinc/45/70/13/381457013.db2.gz YNNQXLCEIDKXPP-SFHVURJKSA-N 1 1 288.435 2.785 20 30 CFEDMO C=CCOCCCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348044048 381457024 /nfs/dbraw/zinc/45/70/24/381457024.db2.gz YNNQXLCEIDKXPP-SFHVURJKSA-N 1 1 288.435 2.785 20 30 CFEDMO CC[C@H](C)[N@@H+](C)CCNc1cc(C(C)=O)ccc1C#N ZINC000290629799 381504278 /nfs/dbraw/zinc/50/42/78/381504278.db2.gz MKCLGRXHOYTSPT-LBPRGKRZSA-N 1 1 273.380 2.903 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N(C)C1CCC(C)CC1 ZINC000342726550 381504634 /nfs/dbraw/zinc/50/46/34/381504634.db2.gz GCEAHUFNKFZKSB-UHFFFAOYSA-N 1 1 252.402 2.531 20 30 CFEDMO CC#CC[NH2+][C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000342730733 381505404 /nfs/dbraw/zinc/50/54/04/381505404.db2.gz LBNXYMXREBHWAF-SFHVURJKSA-N 1 1 292.382 2.657 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000342730787 381505888 /nfs/dbraw/zinc/50/58/88/381505888.db2.gz ZHDGAJMRBOHDIF-JTQLQIEISA-N 1 1 268.307 2.800 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(SC)cc1 ZINC000342734300 381507252 /nfs/dbraw/zinc/50/72/52/381507252.db2.gz JPBLVGYWZSEWAN-UHFFFAOYSA-N 1 1 264.394 2.855 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000342734057 381507623 /nfs/dbraw/zinc/50/76/23/381507623.db2.gz GNXDRARHXCDFJB-UONOGXRCSA-N 1 1 272.392 2.861 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000342738206 381510053 /nfs/dbraw/zinc/51/00/53/381510053.db2.gz UBTCEVUXPOCIMY-UHFFFAOYSA-N 1 1 280.799 2.507 20 30 CFEDMO C=CCC[N@@H+](C)Cc1csc(CC(=O)OC(C)C)n1 ZINC000342739653 381511801 /nfs/dbraw/zinc/51/18/01/381511801.db2.gz QFKZMJDWCATFKP-UHFFFAOYSA-N 1 1 282.409 2.645 20 30 CFEDMO C=CCC[N@H+](C)Cc1csc(CC(=O)OC(C)C)n1 ZINC000342739653 381511807 /nfs/dbraw/zinc/51/18/07/381511807.db2.gz QFKZMJDWCATFKP-UHFFFAOYSA-N 1 1 282.409 2.645 20 30 CFEDMO N#Cc1ccc(F)c(C[NH2+][C@@H](CO)c2ccc(F)cc2)c1 ZINC000359622267 381513256 /nfs/dbraw/zinc/51/32/56/381513256.db2.gz AOSXOCLKSSJPRQ-INIZCTEOSA-N 1 1 288.297 2.660 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000342754607 381519561 /nfs/dbraw/zinc/51/95/61/381519561.db2.gz AUAFDJBDILQPEO-ZDUSSCGKSA-N 1 1 276.380 2.839 20 30 CFEDMO CCOC(=O)C[N@@H+](Cc1ccc(CC#N)cc1)CC(C)C ZINC000342709518 381493107 /nfs/dbraw/zinc/49/31/07/381493107.db2.gz ORIICKQCVKTBJK-UHFFFAOYSA-N 1 1 288.391 2.774 20 30 CFEDMO CCOC(=O)C[N@H+](Cc1ccc(CC#N)cc1)CC(C)C ZINC000342709518 381493113 /nfs/dbraw/zinc/49/31/13/381493113.db2.gz ORIICKQCVKTBJK-UHFFFAOYSA-N 1 1 288.391 2.774 20 30 CFEDMO CCC[N@@H+](CCC[C@H](C)O)Cc1ccc(C#N)cc1 ZINC000354876999 381502920 /nfs/dbraw/zinc/50/29/20/381502920.db2.gz XRLIXEHFOGMXIV-AWEZNQCLSA-N 1 1 260.381 2.931 20 30 CFEDMO N#Cc1cc(C[NH2+][C@H](CCO)c2ccco2)ccc1F ZINC000185107370 381537645 /nfs/dbraw/zinc/53/76/45/381537645.db2.gz HAZSLTAZSQESNF-CQSZACIVSA-N 1 1 274.295 2.504 20 30 CFEDMO C=CC[NH2+][C@@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185124025 381541317 /nfs/dbraw/zinc/54/13/17/381541317.db2.gz NTQLPUUPYGBMBH-JTQLQIEISA-N 1 1 259.309 2.582 20 30 CFEDMO C[C@@H](c1ccncc1)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000342797202 381547364 /nfs/dbraw/zinc/54/73/64/381547364.db2.gz NJBLUFSVFBVOAU-ZDUSSCGKSA-N 1 1 291.358 2.794 20 30 CFEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000342797202 381547366 /nfs/dbraw/zinc/54/73/66/381547366.db2.gz NJBLUFSVFBVOAU-ZDUSSCGKSA-N 1 1 291.358 2.794 20 30 CFEDMO C=CCCC1(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000354984613 381550115 /nfs/dbraw/zinc/55/01/15/381550115.db2.gz WIBQYKCKGBRWNO-GJZGRUSLSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CCC[N@H+](C)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000342762948 381522722 /nfs/dbraw/zinc/52/27/22/381522722.db2.gz HYRPCUBBAIIERO-ZDUSSCGKSA-N 1 1 252.402 2.531 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000342764028 381523063 /nfs/dbraw/zinc/52/30/63/381523063.db2.gz IKQHEMDTJRTJQW-UHFFFAOYSA-N 1 1 258.365 2.622 20 30 CFEDMO C=CCC[N@@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000342764198 381523661 /nfs/dbraw/zinc/52/36/61/381523661.db2.gz JHXGSHDBEITXSP-UHFFFAOYSA-N 1 1 251.399 2.750 20 30 CFEDMO C=CCC[N@H+](C)Cc1csc(N(C)C2CC2)n1 ZINC000342764198 381523665 /nfs/dbraw/zinc/52/36/65/381523665.db2.gz JHXGSHDBEITXSP-UHFFFAOYSA-N 1 1 251.399 2.750 20 30 CFEDMO C=CCC[N@H+](C)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000342765050 381525780 /nfs/dbraw/zinc/52/57/80/381525780.db2.gz MCWVEENIWINQMB-INIZCTEOSA-N 1 1 277.408 2.859 20 30 CFEDMO CC(C)[N@H+](C)C[C@@H](C)Nc1nc2c(cc1C#N)CCC2 ZINC000290738849 381536679 /nfs/dbraw/zinc/53/66/79/381536679.db2.gz 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N#CCc1ccc(C[N@H+]2CCO[C@@H](c3ccco3)C2)cc1 ZINC000343601537 381832121 /nfs/dbraw/zinc/83/21/21/381832121.db2.gz GSFFCQFPIUVXCD-QGZVFWFLSA-N 1 1 282.343 2.919 20 30 CFEDMO C=CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361507154 381838163 /nfs/dbraw/zinc/83/81/63/381838163.db2.gz CPKCAGRTYNFPTC-UONOGXRCSA-N 1 1 264.413 2.722 20 30 CFEDMO Cc1ccc(C[N@@H+](CCO)CCCC(C)(C)C#N)o1 ZINC000361523893 381840740 /nfs/dbraw/zinc/84/07/40/381840740.db2.gz HFLKNFMYZAOIEJ-UHFFFAOYSA-N 1 1 264.369 2.712 20 30 CFEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000372597950 381842217 /nfs/dbraw/zinc/84/22/17/381842217.db2.gz CJEVHYWQVOEZOC-MRXNPFEDSA-N 1 1 295.386 2.858 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(Cl)c2)C1=O ZINC000343614343 381842326 /nfs/dbraw/zinc/84/23/26/381842326.db2.gz PKBWWVXIUIQFGH-OAHLLOKOSA-N 1 1 292.810 2.867 20 30 CFEDMO C=CC[N@H+](CCCC#N)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343570862 381806493 /nfs/dbraw/zinc/80/64/93/381806493.db2.gz ATZWYQJGUOMWOR-CQSZACIVSA-N 1 1 296.378 2.515 20 30 CFEDMO C=CC[N@H+](CCC)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000343581012 381813989 /nfs/dbraw/zinc/81/39/89/381813989.db2.gz YDIKOOKSMFZULF-CYBMUJFWSA-N 1 1 271.368 2.621 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCCC[C@H]2Cn2cccn2)c(F)c1 ZINC000372609237 381844111 /nfs/dbraw/zinc/84/41/11/381844111.db2.gz SOLOMWLTQJRIKE-INIZCTEOSA-N 1 1 298.365 2.949 20 30 CFEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cccc(N2CCCC2=O)c1 ZINC000343590061 381819261 /nfs/dbraw/zinc/81/92/61/381819261.db2.gz XEAGKCYTOJRJBA-CYBMUJFWSA-N 1 1 283.375 2.768 20 30 CFEDMO C=CC[N@@H+](CCOC)Cc1cc(-c2ccccc2)no1 ZINC000361996365 381877924 /nfs/dbraw/zinc/87/79/24/381877924.db2.gz OKAHWGZXTWVUCE-UHFFFAOYSA-N 1 1 272.348 2.976 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1cc(-c2ccccc2)no1 ZINC000361996365 381877930 /nfs/dbraw/zinc/87/79/30/381877930.db2.gz OKAHWGZXTWVUCE-UHFFFAOYSA-N 1 1 272.348 2.976 20 30 CFEDMO C=CC[N@@H+](CCOC)CCOc1ccc(Cl)c(F)c1 ZINC000361996019 381878116 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DTDBEMIWHSAJLQ-ZDUSSCGKSA-N 1 1 264.344 2.755 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)Cc1ccc(F)cc1 ZINC000293491466 382144017 /nfs/dbraw/zinc/14/40/17/382144017.db2.gz NDIROBRQZALECF-GOSISDBHSA-N 1 1 298.361 2.733 20 30 CFEDMO C[C@@H]1C[C@@H](N(C)c2cccc(F)c2C#N)CC[N@H+]1C ZINC000301397967 382169150 /nfs/dbraw/zinc/16/91/50/382169150.db2.gz AKGRWQGYWZXRFL-NEPJUHHUSA-N 1 1 261.344 2.616 20 30 CFEDMO C#CCNC(=O)CC[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000293549332 382170278 /nfs/dbraw/zinc/17/02/78/382170278.db2.gz RBSOHIUFPYUUBQ-UHFFFAOYSA-N 1 1 299.201 2.565 20 30 CFEDMO CCOCC[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187398155 382172702 /nfs/dbraw/zinc/17/27/02/382172702.db2.gz VWWBDBBEDLZZQG-UHFFFAOYSA-N 1 1 252.745 2.680 20 30 CFEDMO CCOCC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187398155 382172707 /nfs/dbraw/zinc/17/27/07/382172707.db2.gz VWWBDBBEDLZZQG-UHFFFAOYSA-N 1 1 252.745 2.680 20 30 CFEDMO C=CC[N@H+](C[C@@H](O)COc1ccc(C)cc1C)C1CC1 ZINC000357532182 382210886 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CC(C)(C#N)CCC[N@@H+]1CCC[C@H](N2CCCC2)C1 ZINC000363042754 382226798 /nfs/dbraw/zinc/22/67/98/382226798.db2.gz OUMXBHOMCMZWPG-HNNXBMFYSA-N 1 1 263.429 2.877 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](N2CCCC2)C1 ZINC000363042754 382226805 /nfs/dbraw/zinc/22/68/05/382226805.db2.gz OUMXBHOMCMZWPG-HNNXBMFYSA-N 1 1 263.429 2.877 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)[C@H]1CCCOC1 ZINC000352210059 382228412 /nfs/dbraw/zinc/22/84/12/382228412.db2.gz DUWDXIUEAMUNBE-ZDUSSCGKSA-N 1 1 296.317 2.770 20 30 CFEDMO CC[C@@]1(CO)CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000187634126 382232434 /nfs/dbraw/zinc/23/24/34/382232434.db2.gz RDKMYOUBHHVTRN-MRXNPFEDSA-N 1 1 276.355 2.682 20 30 CFEDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000187634126 382232439 /nfs/dbraw/zinc/23/24/39/382232439.db2.gz RDKMYOUBHHVTRN-MRXNPFEDSA-N 1 1 276.355 2.682 20 30 CFEDMO N#Cc1ccc(CN[C@@H]2CC[N@H+](C3CCCC3)C2)c(F)c1 ZINC000344254276 382232782 /nfs/dbraw/zinc/23/27/82/382232782.db2.gz UZCGVQLJLMYVPA-OAHLLOKOSA-N 1 1 287.382 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C#CCNC(=O)CC[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000293735414 382255854 /nfs/dbraw/zinc/25/58/54/382255854.db2.gz ZQJFRTZKMIHDKY-NVXWUHKLSA-N 1 1 284.403 2.599 20 30 CFEDMO C[N@H+]1CC[C@H]2CCN(c3cc(C#N)c4ccccc4n3)C[C@H]21 ZINC000364312368 382303828 /nfs/dbraw/zinc/30/38/28/382303828.db2.gz XJWQRQZGBFCWNZ-SUMWQHHRSA-N 1 1 292.386 2.637 20 30 CFEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CCCC(C)(C)C#N)C1 ZINC000187946257 382306412 /nfs/dbraw/zinc/30/64/12/382306412.db2.gz XKJMBOYIAAVJAS-UKRRQHHQSA-N 1 1 252.402 2.799 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC000352409052 382313867 /nfs/dbraw/zinc/31/38/67/382313867.db2.gz XTVCKXJNGTVWOT-OAHLLOKOSA-N 1 1 253.386 2.864 20 30 CFEDMO COc1ccc(C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)cc1C#N ZINC000187978020 382314991 /nfs/dbraw/zinc/31/49/91/382314991.db2.gz DHMOFQXMXZMLPH-GUYCJALGSA-N 1 1 288.391 2.550 20 30 CFEDMO Cc1ncccc1OC[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000419394116 382316603 /nfs/dbraw/zinc/31/66/03/382316603.db2.gz 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257.381 2.909 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1C)C1CC1 ZINC000346477295 382377954 /nfs/dbraw/zinc/37/79/54/382377954.db2.gz VKFCHMAVGQMDFD-UHFFFAOYSA-N 1 1 299.418 2.722 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000305082185 382422633 /nfs/dbraw/zinc/42/26/33/382422633.db2.gz MTDPMQRDYUFGDI-JKSUJKDBSA-N 1 1 267.413 2.737 20 30 CFEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[C@@H]1O ZINC000352661906 382439176 /nfs/dbraw/zinc/43/91/76/382439176.db2.gz VLBUHHCYOOZPHE-GJZGRUSLSA-N 1 1 297.320 2.902 20 30 CFEDMO N#Cc1ccc2ncc(C[N@H+]3C[C@H]4CCCCC[C@H]43)n2c1 ZINC000378344745 382440950 /nfs/dbraw/zinc/44/09/50/382440950.db2.gz CFWDWBQOMSDBPM-GDBMZVCRSA-N 1 1 280.375 2.970 20 30 CFEDMO CC[N@H+]1CCN(Cc2ccc(C#N)cc2Cl)[C@@H](C)C1 ZINC000352669043 382444229 /nfs/dbraw/zinc/44/42/29/382444229.db2.gz WVJZGKMBPIEUHL-LBPRGKRZSA-N 1 1 277.799 2.738 20 30 CFEDMO C#Cc1cccc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000365793072 382444962 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C[N@@H+](CC[C@@H]1CCCO1)Cc1cccc(F)c1C#N ZINC000428485506 383484080 /nfs/dbraw/zinc/48/40/80/383484080.db2.gz RXSYSRJHIPNLIB-ZDUSSCGKSA-N 1 1 262.328 2.698 20 30 CFEDMO CC[C@H]([NH2+]CC1(C#N)CCC1)c1c(C)nn(C)c1C ZINC000450722758 383484280 /nfs/dbraw/zinc/48/42/80/383484280.db2.gz ATCDQEQCZJLAHQ-ZDUSSCGKSA-N 1 1 260.385 2.772 20 30 CFEDMO CCCC[N@H+]1CCCC[C@@H]1CNc1ccc(C#N)c(C)n1 ZINC000488105463 383496328 /nfs/dbraw/zinc/49/63/28/383496328.db2.gz VRHXSBOPJTZUSN-MRXNPFEDSA-N 1 1 286.423 2.750 20 30 CFEDMO C=C(C)CNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000428636501 383497962 /nfs/dbraw/zinc/49/79/62/383497962.db2.gz ADAZSCJAKATRBL-ZBFHGGJFSA-N 1 1 287.407 2.697 20 30 CFEDMO Cc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1C#N ZINC000488131429 383499017 /nfs/dbraw/zinc/49/90/17/383499017.db2.gz SBLGYCOQVNMZGW-RDJZCZTQSA-N 1 1 296.418 2.715 20 30 CFEDMO C=CCCCCC[N@@H+]1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000488162791 383501442 /nfs/dbraw/zinc/50/14/42/383501442.db2.gz NTAQBFCTIJLYBP-UONOGXRCSA-N 1 1 256.459 2.710 20 30 CFEDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(C#N)c(C)c2)C[C@@H]1C ZINC000488160609 383501544 /nfs/dbraw/zinc/50/15/44/383501544.db2.gz IPTCGNHGVZFUAN-LSDHHAIUSA-N 1 1 271.408 2.781 20 30 CFEDMO C=CC[N@@H+](CCOC)Cc1oc(C(C)C)nc1C ZINC000428945625 383502790 /nfs/dbraw/zinc/50/27/90/383502790.db2.gz ZKVHCCSOUBIUPJ-UHFFFAOYSA-N 1 1 252.358 2.741 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1oc(C(C)C)nc1C ZINC000428945625 383502795 /nfs/dbraw/zinc/50/27/95/383502795.db2.gz ZKVHCCSOUBIUPJ-UHFFFAOYSA-N 1 1 252.358 2.741 20 30 CFEDMO Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1C#N ZINC000488172273 383502777 /nfs/dbraw/zinc/50/27/77/383502777.db2.gz RESLEVMELRFWCZ-ROUUACIJSA-N 1 1 283.419 2.783 20 30 CFEDMO Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1C#N ZINC000488172273 383502780 /nfs/dbraw/zinc/50/27/80/383502780.db2.gz RESLEVMELRFWCZ-ROUUACIJSA-N 1 1 283.419 2.783 20 30 CFEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2ccc(CC#N)cc2)C[C@@H](C)C1 ZINC000429009870 383503490 /nfs/dbraw/zinc/50/34/90/383503490.db2.gz POPDCRPFPZRTIJ-GPMSIDNRSA-N 1 1 297.446 2.915 20 30 CFEDMO C[C@@H]1C[C@H]1N1CC[N@H+](Cc2ccc(CC#N)cc2)C[C@@H](C)C1 ZINC000429009870 383503495 /nfs/dbraw/zinc/50/34/95/383503495.db2.gz POPDCRPFPZRTIJ-GPMSIDNRSA-N 1 1 297.446 2.915 20 30 CFEDMO C[C@@H]1C[C@H]1N1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H](C)C1 ZINC000429009870 383503502 /nfs/dbraw/zinc/50/35/02/383503502.db2.gz POPDCRPFPZRTIJ-GPMSIDNRSA-N 1 1 297.446 2.915 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](CSC)C1 ZINC000429278540 383508001 /nfs/dbraw/zinc/50/80/01/383508001.db2.gz YGYPPODLHFGOLQ-CABCVRRESA-N 1 1 296.480 2.651 20 30 CFEDMO Cc1cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)C2)ccc1C#N ZINC000488439212 383538946 /nfs/dbraw/zinc/53/89/46/383538946.db2.gz NMAVXUZMIKMLKE-AWEZNQCLSA-N 1 1 298.308 2.756 20 30 CFEDMO Cc1cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)ccc1C#N ZINC000488439212 383538949 /nfs/dbraw/zinc/53/89/49/383538949.db2.gz NMAVXUZMIKMLKE-AWEZNQCLSA-N 1 1 298.308 2.756 20 30 CFEDMO Cc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1C#N ZINC000488449246 383542470 /nfs/dbraw/zinc/54/24/70/383542470.db2.gz OYMKSVVTINEQEL-MRXNPFEDSA-N 1 1 271.408 2.640 20 30 CFEDMO Cc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1C#N ZINC000488449246 383542471 /nfs/dbraw/zinc/54/24/71/383542471.db2.gz OYMKSVVTINEQEL-MRXNPFEDSA-N 1 1 271.408 2.640 20 30 CFEDMO C=CCC(C)(C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000429857916 383575034 /nfs/dbraw/zinc/57/50/34/383575034.db2.gz DEHKBIWRXXLOFX-UHFFFAOYSA-N 1 1 286.419 2.933 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)Nc1nccc(C)c1C#N ZINC000341137954 383578842 /nfs/dbraw/zinc/57/88/42/383578842.db2.gz KMUQWWJGJXNQGG-ZDUSSCGKSA-N 1 1 260.385 2.794 20 30 CFEDMO COCCC1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000528576511 383582876 /nfs/dbraw/zinc/58/28/76/383582876.db2.gz VFSHDUQXBXJLKT-UHFFFAOYSA-N 1 1 276.355 2.946 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)CCCC3)C1=O ZINC000430076111 383588140 /nfs/dbraw/zinc/58/81/40/383588140.db2.gz CRQNRKYCCJSJQO-SFHVURJKSA-N 1 1 298.430 2.784 20 30 CFEDMO Cc1cc(C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)ccc1C#N ZINC000488981667 383588502 /nfs/dbraw/zinc/58/85/02/383588502.db2.gz NYVNEOQPWHNXTA-SUMWQHHRSA-N 1 1 272.392 2.850 20 30 CFEDMO C[C@@H]1C[C@@H]1N1CC[N@@H+](CC(C)(C)CCC#N)C[C@@H](C)C1 ZINC000430134533 383590037 /nfs/dbraw/zinc/59/00/37/383590037.db2.gz GRYJDYRDBAKDHY-OAGGEKHMSA-N 1 1 277.456 2.978 20 30 CFEDMO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC(C)(C)CCC#N)C[C@@H](C)C1 ZINC000430134533 383590040 /nfs/dbraw/zinc/59/00/40/383590040.db2.gz GRYJDYRDBAKDHY-OAGGEKHMSA-N 1 1 277.456 2.978 20 30 CFEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(CC(C)(C)CCC#N)C[C@@H](C)C1 ZINC000430134533 383590043 /nfs/dbraw/zinc/59/00/43/383590043.db2.gz GRYJDYRDBAKDHY-OAGGEKHMSA-N 1 1 277.456 2.978 20 30 CFEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1 ZINC000430136628 383590129 /nfs/dbraw/zinc/59/01/29/383590129.db2.gz WODODZLPZXPTCY-ZFWWWQNUSA-N 1 1 261.365 2.597 20 30 CFEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C#N)(CC)CC)C1 ZINC000528698070 383609635 /nfs/dbraw/zinc/60/96/35/383609635.db2.gz QXPWMACVKDVJLZ-AWEZNQCLSA-N 1 1 279.428 2.507 20 30 CFEDMO CC#CC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000429706217 383561155 /nfs/dbraw/zinc/56/11/55/383561155.db2.gz CISXDZMRQYFDSF-UHFFFAOYSA-N 1 1 261.340 2.830 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)Cc1csc(CC)n1 ZINC000429709900 383562383 /nfs/dbraw/zinc/56/23/83/383562383.db2.gz SSDKBRVDROPKAP-UHFFFAOYSA-N 1 1 267.442 2.645 20 30 CFEDMO CCC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)OCC ZINC000429722339 383563887 /nfs/dbraw/zinc/56/38/87/383563887.db2.gz SODICAKPJIHDPQ-ZDUSSCGKSA-N 1 1 274.364 2.722 20 30 CFEDMO CCC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)OCC ZINC000429722339 383563889 /nfs/dbraw/zinc/56/38/89/383563889.db2.gz SODICAKPJIHDPQ-ZDUSSCGKSA-N 1 1 274.364 2.722 20 30 CFEDMO CC1(C)CCC[N@H+]1CCNc1ccc([N+](=O)[O-])cc1C#N ZINC000450950965 383565235 /nfs/dbraw/zinc/56/52/35/383565235.db2.gz OKRVJXAMEFOSGH-UHFFFAOYSA-N 1 1 288.351 2.753 20 30 CFEDMO Cc1ccnc(NCC[N@H+]2CCCC2(C)C)c1C#N ZINC000450952415 383565682 /nfs/dbraw/zinc/56/56/82/383565682.db2.gz SVMWHNIWFQKKMB-UHFFFAOYSA-N 1 1 258.369 2.548 20 30 CFEDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2ccc(F)c(C#N)c2)C1 ZINC000429766591 383566699 /nfs/dbraw/zinc/56/66/99/383566699.db2.gz CYASCOZZZDVAPW-WFASDCNBSA-N 1 1 276.355 2.680 20 30 CFEDMO C[C@@H]1CCC(C)(C)[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000528521743 383568883 /nfs/dbraw/zinc/56/88/83/383568883.db2.gz ZANGKNKGIQMMOZ-UKRRQHHQSA-N 1 1 288.391 2.561 20 30 CFEDMO CCO[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000451551468 383644055 /nfs/dbraw/zinc/64/40/55/383644055.db2.gz XXHIKVPBRNKDMI-BLLLJJGKSA-N 1 1 276.355 2.944 20 30 CFEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000451551468 383644059 /nfs/dbraw/zinc/64/40/59/383644059.db2.gz XXHIKVPBRNKDMI-BLLLJJGKSA-N 1 1 276.355 2.944 20 30 CFEDMO N#CCC1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000570594502 383617303 /nfs/dbraw/zinc/61/73/03/383617303.db2.gz DGDGQIURKMCAKH-OAHLLOKOSA-N 1 1 289.423 2.594 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCCC[C@H]1CC ZINC000489437182 383618965 /nfs/dbraw/zinc/61/89/65/383618965.db2.gz WLWAQRAZTYTBBI-LSDHHAIUSA-N 1 1 264.413 2.818 20 30 CFEDMO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CC1(C)C ZINC000489434279 383619282 /nfs/dbraw/zinc/61/92/82/383619282.db2.gz VHLJZEQCYVQTIF-ZDUSSCGKSA-N 1 1 291.782 2.880 20 30 CFEDMO C[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CC1(C)C ZINC000489434279 383619285 /nfs/dbraw/zinc/61/92/85/383619285.db2.gz VHLJZEQCYVQTIF-ZDUSSCGKSA-N 1 1 291.782 2.880 20 30 CFEDMO C=CCOc1ccc(CN2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000570695265 383626847 /nfs/dbraw/zinc/62/68/47/383626847.db2.gz RAWRWMHCYCPTAO-UKRRQHHQSA-N 1 1 260.381 2.563 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000570797743 383636374 /nfs/dbraw/zinc/63/63/74/383636374.db2.gz FCBLICRRNKIIRT-UONOGXRCSA-N 1 1 250.386 2.817 20 30 CFEDMO Cc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)no1 ZINC000528780401 383636324 /nfs/dbraw/zinc/63/63/24/383636324.db2.gz CTZCSLCUPCKYFM-UHFFFAOYSA-N 1 1 297.358 2.650 20 30 CFEDMO C=CCCC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000264688553 383772543 /nfs/dbraw/zinc/77/25/43/383772543.db2.gz QMKTYAQYQSLVFW-CQSZACIVSA-N 1 1 288.391 2.985 20 30 CFEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CCCC[C@H]1O ZINC000572768505 383814821 /nfs/dbraw/zinc/81/48/21/383814821.db2.gz BWCKDVGHFLUJNV-UONOGXRCSA-N 1 1 252.402 2.799 20 30 CFEDMO CCCC[N@H+]1CCCC[C@@H]1CNC[C@H](C#N)CCC#N ZINC000572834390 383823314 /nfs/dbraw/zinc/82/33/14/383823314.db2.gz HJCBTGWBWMUPGO-JKSUJKDBSA-N 1 1 276.428 2.674 20 30 CFEDMO CCCC[N@H+]1CCCC[C@@H]1CNC[C@@H](C#N)CCC#N ZINC000572834389 383824154 /nfs/dbraw/zinc/82/41/54/383824154.db2.gz HJCBTGWBWMUPGO-HZPDHXFCSA-N 1 1 276.428 2.674 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000281019337 195070602 /nfs/dbraw/zinc/07/06/02/195070602.db2.gz PHZKZDURRJSIMA-CQSZACIVSA-N 1 1 290.411 2.846 20 30 CFEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000572947811 383844531 /nfs/dbraw/zinc/84/45/31/383844531.db2.gz KTVROEOKGCVLTH-OAHLLOKOSA-N 1 1 278.440 2.971 20 30 CFEDMO C=CCCCCC[N@@H+]1CC[C@@](C(=O)NC)(C(F)(F)F)C1 ZINC000646112938 383877016 /nfs/dbraw/zinc/87/70/16/383877016.db2.gz IWPHLVKRVVHWGR-CYBMUJFWSA-N 1 1 292.345 2.733 20 30 CFEDMO C=C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437760096 383909403 /nfs/dbraw/zinc/90/94/03/383909403.db2.gz FZTHVSYFLNPJEL-DZGCQCFKSA-N 1 1 279.428 2.657 20 30 CFEDMO CC(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000438486448 384012430 /nfs/dbraw/zinc/01/24/30/384012430.db2.gz PRGBBIDSLCBSHM-CYBMUJFWSA-N 1 1 291.420 2.926 20 30 CFEDMO Cc1ccccc1[C@H](CO)[NH2+]Cc1ccc(C#N)cc1F ZINC000532569971 384047690 /nfs/dbraw/zinc/04/76/90/384047690.db2.gz ZUXAPAPEMIPKGI-KRWDZBQOSA-N 1 1 284.334 2.829 20 30 CFEDMO C=CC(C)(C)CCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000637320922 384027331 /nfs/dbraw/zinc/02/73/31/384027331.db2.gz CGLBLDOBUVEJTK-GJZGRUSLSA-N 1 1 295.471 2.960 20 30 CFEDMO C=CC(C)(C)CCNC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1 ZINC000637323755 384030150 /nfs/dbraw/zinc/03/01/50/384030150.db2.gz KPGRJPORDCUYHC-AWEZNQCLSA-N 1 1 281.444 2.714 20 30 CFEDMO CC[C@]1(CO)CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000439284069 384034162 /nfs/dbraw/zinc/03/41/62/384034162.db2.gz LLLMOFRTIWTGFJ-MRXNPFEDSA-N 1 1 277.795 2.928 20 30 CFEDMO N#Cc1ccccc1OCC[N@H+]1CCc2ccc(O)cc2C1 ZINC000532732219 384064643 /nfs/dbraw/zinc/06/46/43/384064643.db2.gz VLSZSANYTNUCSO-UHFFFAOYSA-N 1 1 294.354 2.701 20 30 CFEDMO N#Cc1ccccc1OCC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000532732219 384064651 /nfs/dbraw/zinc/06/46/51/384064651.db2.gz VLSZSANYTNUCSO-UHFFFAOYSA-N 1 1 294.354 2.701 20 30 CFEDMO Cc1nc(NCC2CCC(C#N)CC2)c(C)c(C)[nH+]1 ZINC000440656876 384121775 /nfs/dbraw/zinc/12/17/75/384121775.db2.gz CGFPIDJEUPAKOM-UHFFFAOYSA-N 1 1 258.369 2.566 20 30 CFEDMO C=CCCC(C)(C)CNC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1 ZINC000637621166 384137343 /nfs/dbraw/zinc/13/73/43/384137343.db2.gz KLWINPSEWPSWSH-CQSZACIVSA-N 1 1 281.444 2.714 20 30 CFEDMO C=CCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000574888111 384159983 /nfs/dbraw/zinc/15/99/83/384159983.db2.gz NEJPUAXBCNIWAX-GJZGRUSLSA-N 1 1 281.444 2.714 20 30 CFEDMO COc1ccc([C@H](CO)[N@@H+](C)CCCC(C)(C)C#N)cc1 ZINC000266927272 384263486 /nfs/dbraw/zinc/26/34/86/384263486.db2.gz KYCWOAFHTJMUOC-INIZCTEOSA-N 1 1 290.407 2.990 20 30 CFEDMO C#CCCCC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000277344612 384272422 /nfs/dbraw/zinc/27/24/22/384272422.db2.gz ZMCLSZPLJOWMRZ-FUHWJXTLSA-N 1 1 296.414 2.933 20 30 CFEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CCOCC ZINC000277438184 384301719 /nfs/dbraw/zinc/30/17/19/384301719.db2.gz GQWWVKHOWXJMDG-KRWDZBQOSA-N 1 1 290.407 2.558 20 30 CFEDMO CC[N@H+]1CCCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000267253001 384337248 /nfs/dbraw/zinc/33/72/48/384337248.db2.gz UXHRHGQFDHBPMA-UHFFFAOYSA-N 1 1 280.375 2.638 20 30 CFEDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000277784742 384405027 /nfs/dbraw/zinc/40/50/27/384405027.db2.gz OAWDQKKUZACQOO-INIZCTEOSA-N 1 1 276.355 2.824 20 30 CFEDMO 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Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)[nH]1 ZINC000268446892 384623725 /nfs/dbraw/zinc/62/37/25/384623725.db2.gz IBSMJPQOOYVLCW-BLLLJJGKSA-N 1 1 295.390 2.925 20 30 CFEDMO Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000268446892 384623732 /nfs/dbraw/zinc/62/37/32/384623732.db2.gz IBSMJPQOOYVLCW-BLLLJJGKSA-N 1 1 295.390 2.925 20 30 CFEDMO Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000268446892 384623738 /nfs/dbraw/zinc/62/37/38/384623738.db2.gz IBSMJPQOOYVLCW-BLLLJJGKSA-N 1 1 295.390 2.925 20 30 CFEDMO Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000268446892 384623745 /nfs/dbraw/zinc/62/37/45/384623745.db2.gz IBSMJPQOOYVLCW-BLLLJJGKSA-N 1 1 295.390 2.925 20 30 CFEDMO Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000268446892 384623752 /nfs/dbraw/zinc/62/37/52/384623752.db2.gz IBSMJPQOOYVLCW-BLLLJJGKSA-N 1 1 295.390 2.925 20 30 CFEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H](C2CC2)O1 ZINC000279391210 384623961 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/nfs/dbraw/zinc/07/42/16/394074216.db2.gz UVWSTZGMILTYFV-UHFFFAOYSA-N 1 1 252.402 2.579 20 30 CFEDMO C=CCCC1(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000356201904 394075480 /nfs/dbraw/zinc/07/54/80/394075480.db2.gz IZMKCPHEGJDKPN-KBPBESRZSA-N 1 1 264.413 2.674 20 30 CFEDMO CC(C)[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000438488565 394079135 /nfs/dbraw/zinc/07/91/35/394079135.db2.gz DFAGYDIJENVNFW-WBVHZDCISA-N 1 1 297.402 2.641 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](Cc2ccco2)C2CCCC2)C1=O ZINC000281907896 394092139 /nfs/dbraw/zinc/09/21/39/394092139.db2.gz GFIRYYDUSMABGP-MRXNPFEDSA-N 1 1 288.391 2.811 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2ccc(F)cc2)C1=O ZINC000281921580 394094545 /nfs/dbraw/zinc/09/45/45/394094545.db2.gz HHRJDGADWAEDPD-WFASDCNBSA-N 1 1 276.355 2.605 20 30 CFEDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1C#N ZINC000487903917 394029150 /nfs/dbraw/zinc/02/91/50/394029150.db2.gz CJPOZCWZUGXZLA-ZIAGYGMSSA-N 1 1 298.308 2.754 20 30 CFEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000130337852 394109120 /nfs/dbraw/zinc/10/91/20/394109120.db2.gz BKJUZODRLKPENH-HZPDHXFCSA-N 1 1 288.391 2.692 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](Cc2ccccc2F)C(C)C)C1=O ZINC000282039619 394114523 /nfs/dbraw/zinc/11/45/23/394114523.db2.gz QVWLJJJMXWKCDJ-MRXNPFEDSA-N 1 1 290.382 2.823 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+](Cc2ccccc2F)C(C)C)C1=O ZINC000282039619 394114526 /nfs/dbraw/zinc/11/45/26/394114526.db2.gz QVWLJJJMXWKCDJ-MRXNPFEDSA-N 1 1 290.382 2.823 20 30 CFEDMO Cc1ccc2ncc(C#N)c(N(C)C[C@H]3CCC[N@H+]3C)c2c1 ZINC000420634051 394122292 /nfs/dbraw/zinc/12/22/92/394122292.db2.gz KHMSDHVSIZRNKL-OAHLLOKOSA-N 1 1 294.402 2.945 20 30 CFEDMO CC[N@H+](Cc1ccccc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000132086598 394147450 /nfs/dbraw/zinc/14/74/50/394147450.db2.gz AYYWHNRIHHCPPU-QGZVFWFLSA-N 1 1 293.370 2.607 20 30 CFEDMO CC[N@@H+](Cc1ccccc1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000132086598 394147457 /nfs/dbraw/zinc/14/74/57/394147457.db2.gz AYYWHNRIHHCPPU-QGZVFWFLSA-N 1 1 293.370 2.607 20 30 CFEDMO N#CCCCC[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000360323972 394148104 /nfs/dbraw/zinc/14/81/04/394148104.db2.gz SHGXYUIZADZGAN-HNNXBMFYSA-N 1 1 262.328 2.973 20 30 CFEDMO C=CCC[C@H](NC1CC[NH+](CCOC)CC1)c1ccco1 ZINC000286030141 394181951 /nfs/dbraw/zinc/18/19/51/394181951.db2.gz KDNYFVREICSAPY-INIZCTEOSA-N 1 1 292.423 2.987 20 30 CFEDMO CC(C)(CCC#N)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000360425927 394152079 /nfs/dbraw/zinc/15/20/79/394152079.db2.gz PVBXLXUCTXFOFO-HNNXBMFYSA-N 1 1 291.439 2.840 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)N(C)C[C@H]1CCC[N@H+]1C ZINC000420999329 394152320 /nfs/dbraw/zinc/15/23/20/394152320.db2.gz JLCKSQLDGXVREA-XJKSGUPXSA-N 1 1 257.381 2.645 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H]1CCCN1C ZINC000420999329 394152323 /nfs/dbraw/zinc/15/23/23/394152323.db2.gz JLCKSQLDGXVREA-XJKSGUPXSA-N 1 1 257.381 2.645 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@H]1CCCN1C ZINC000420999329 394152326 /nfs/dbraw/zinc/15/23/26/394152326.db2.gz JLCKSQLDGXVREA-XJKSGUPXSA-N 1 1 257.381 2.645 20 30 CFEDMO N#CCCCC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000360564450 394155047 /nfs/dbraw/zinc/15/50/47/394155047.db2.gz RCLKJRGUJVYIOC-HNNXBMFYSA-N 1 1 277.412 2.594 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000360693057 394157800 /nfs/dbraw/zinc/15/78/00/394157800.db2.gz XXJRQSXVQRHVNM-SJLPKXTDSA-N 1 1 287.403 2.835 20 30 CFEDMO C=CC[N@@H+](CCCC(=O)OC)Cc1ccccc1F ZINC000361021105 394163098 /nfs/dbraw/zinc/16/30/98/394163098.db2.gz TUYWARPHQKHMHA-UHFFFAOYSA-N 1 1 265.328 2.767 20 30 CFEDMO C=CC[N@H+](CCCC(=O)OC)Cc1ccccc1F ZINC000361021105 394163104 /nfs/dbraw/zinc/16/31/04/394163104.db2.gz TUYWARPHQKHMHA-UHFFFAOYSA-N 1 1 265.328 2.767 20 30 CFEDMO C=CCC[C@@H](NCC[N@@H+](C)CCCOC)c1ccco1 ZINC000285982644 394175366 /nfs/dbraw/zinc/17/53/66/394175366.db2.gz HRNNISKCKPKOMS-OAHLLOKOSA-N 1 1 280.412 2.845 20 30 CFEDMO C=CCC[C@@H](NCC[N@H+](C)CCCOC)c1ccco1 ZINC000285982644 394175370 /nfs/dbraw/zinc/17/53/70/394175370.db2.gz HRNNISKCKPKOMS-OAHLLOKOSA-N 1 1 280.412 2.845 20 30 CFEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)NCC(C)C ZINC000150902099 394255981 /nfs/dbraw/zinc/25/59/81/394255981.db2.gz YZRYHNWBUBSGGU-CQSZACIVSA-N 1 1 254.418 2.825 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1c1ccnc(C#N)c1 ZINC000287539931 394207016 /nfs/dbraw/zinc/20/70/16/394207016.db2.gz VYCYGVWMKUJQKB-OAHLLOKOSA-N 1 1 292.386 2.664 20 30 CFEDMO COc1ccc(C)[nH+]c1NCc1ccc(C#N)cc1 ZINC000150984187 394258232 /nfs/dbraw/zinc/25/82/32/394258232.db2.gz CVLDFJRIBLQOLN-UHFFFAOYSA-N 1 1 253.305 2.882 20 30 CFEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000150879277 394254249 /nfs/dbraw/zinc/25/42/49/394254249.db2.gz NCAMEXXMAOSNLO-CYBMUJFWSA-N 1 1 254.418 2.968 20 30 CFEDMO CCC[N@H+]1CC[C@@H](CNCc2ccc(C#N)c(F)c2)C1 ZINC000421319505 394185507 /nfs/dbraw/zinc/18/55/07/394185507.db2.gz ACHLNROVHNXPLH-AWEZNQCLSA-N 1 1 275.371 2.519 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000133949884 394185913 /nfs/dbraw/zinc/18/59/13/394185913.db2.gz CIBSJFCGWLUCHU-OKILXGFUSA-N 1 1 256.349 2.799 20 30 CFEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000150879245 394254865 /nfs/dbraw/zinc/25/48/65/394254865.db2.gz NCAMEXXMAOSNLO-ZDUSSCGKSA-N 1 1 254.418 2.968 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H](CNCc2ccc(C#N)c(F)c2)C1 ZINC000421322864 394187594 /nfs/dbraw/zinc/18/75/94/394187594.db2.gz HDWYWQZIVVFABZ-HNNXBMFYSA-N 1 1 289.398 2.907 20 30 CFEDMO CC(C)C[C@@H](CNCc1ccc(C#N)c(F)c1)[NH+](C)C ZINC000421333161 394189607 /nfs/dbraw/zinc/18/96/07/394189607.db2.gz NJWRNIWFIFDMFP-HNNXBMFYSA-N 1 1 277.387 2.763 20 30 CFEDMO CC[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)N1CCCC1 ZINC000421337584 394190962 /nfs/dbraw/zinc/19/09/62/394190962.db2.gz ZSQWOSIFFDBYCD-HNNXBMFYSA-N 1 1 275.371 2.661 20 30 CFEDMO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2CCC(C)(C)C#N)n1 ZINC000363477842 394196366 /nfs/dbraw/zinc/19/63/66/394196366.db2.gz BOEPBXKUKPFVPX-HNNXBMFYSA-N 1 1 289.427 2.689 20 30 CFEDMO C=CCOCC[N@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000292797807 394277219 /nfs/dbraw/zinc/27/72/19/394277219.db2.gz MBGXTDXABXYCFS-ZBFHGGJFSA-N 1 1 261.365 2.651 20 30 CFEDMO C=CCOCC[N@@H+]1C[C@@H](C)OC[C@H]1c1ccccc1 ZINC000292797807 394277223 /nfs/dbraw/zinc/27/72/23/394277223.db2.gz MBGXTDXABXYCFS-ZBFHGGJFSA-N 1 1 261.365 2.651 20 30 CFEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000449518671 394280311 /nfs/dbraw/zinc/28/03/11/394280311.db2.gz KFVBHCGFSGKDAE-CABCVRRESA-N 1 1 269.348 2.510 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449554476 394281320 /nfs/dbraw/zinc/28/13/20/394281320.db2.gz OIVHRGSOCZZPFX-RBSFLKMASA-N 1 1 264.413 2.799 20 30 CFEDMO C=CCC[C@@H]([NH2+][C@@H](C)CC1CCOCC1)C(=O)OCC ZINC000449659934 394282723 /nfs/dbraw/zinc/28/27/23/394282723.db2.gz WQERRARVSISWMT-DZGCQCFKSA-N 1 1 283.412 2.679 20 30 CFEDMO C=CCC[C@@H]([NH2+][C@H](C)CC1CCOCC1)C(=O)OCC ZINC000449659936 394282854 /nfs/dbraw/zinc/28/28/54/394282854.db2.gz WQERRARVSISWMT-UKRRQHHQSA-N 1 1 283.412 2.679 20 30 CFEDMO C[C@@H]1[C@H](C)N(CCC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000334565574 289013773 /nfs/dbraw/zinc/01/37/73/289013773.db2.gz PBXDCQJJXQAAEU-CABCVRRESA-N 1 1 263.429 2.875 20 30 CFEDMO C[C@@H]1[C@H](C)[N@H+](CCC2(C#N)CCCCC2)CCN1C ZINC000334565574 289013774 /nfs/dbraw/zinc/01/37/74/289013774.db2.gz PBXDCQJJXQAAEU-CABCVRRESA-N 1 1 263.429 2.875 20 30 CFEDMO C[C@@H]1[C@H](C)[N@@H+](CCC2(C#N)CCCCC2)CCN1C ZINC000334565574 289013777 /nfs/dbraw/zinc/01/37/77/289013777.db2.gz PBXDCQJJXQAAEU-CABCVRRESA-N 1 1 263.429 2.875 20 30 CFEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)nc1 ZINC000153761262 394291349 /nfs/dbraw/zinc/29/13/49/394291349.db2.gz FVJIJLZLINMZEY-UHFFFAOYSA-N 1 1 295.386 2.910 20 30 CFEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)nc1 ZINC000153761262 394291351 /nfs/dbraw/zinc/29/13/51/394291351.db2.gz FVJIJLZLINMZEY-UHFFFAOYSA-N 1 1 295.386 2.910 20 30 CFEDMO CC#CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000156626252 394336441 /nfs/dbraw/zinc/33/64/41/394336441.db2.gz AECAJAHHOPLCOO-INIZCTEOSA-N 1 1 273.376 2.787 20 30 CFEDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)nn1C ZINC000453373796 394391961 /nfs/dbraw/zinc/39/19/61/394391961.db2.gz GZFYKMNXTRVBOH-NSHDSACASA-N 1 1 272.327 2.590 20 30 CFEDMO COC[C@@]1(C)CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000451205794 394368997 /nfs/dbraw/zinc/36/89/97/394368997.db2.gz ZEKSFGCKCNSTIA-HNNXBMFYSA-N 1 1 262.328 2.556 20 30 CFEDMO COC[C@@]1(C)CC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000451205794 394369000 /nfs/dbraw/zinc/36/90/00/394369000.db2.gz ZEKSFGCKCNSTIA-HNNXBMFYSA-N 1 1 262.328 2.556 20 30 CFEDMO C[C@@H]1C[NH+](CCSc2ccccc2C#N)C[C@@H](C)O1 ZINC000519549436 394372235 /nfs/dbraw/zinc/37/22/35/394372235.db2.gz KXHCIBVCCBBSKW-CHWSQXEVSA-N 1 1 276.405 2.760 20 30 CFEDMO C=CCOCC[N@H+]1CCC[C@H]1COc1ccccc1 ZINC000451315258 394375670 /nfs/dbraw/zinc/37/56/70/394375670.db2.gz QUTBVTWKNMYWHY-HNNXBMFYSA-N 1 1 261.365 2.732 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000174831113 394379899 /nfs/dbraw/zinc/37/98/99/394379899.db2.gz LNAADXUSXJLKJI-MRXNPFEDSA-N 1 1 299.418 2.880 20 30 CFEDMO CC(C)(C)OC(=O)N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000174814088 394379987 /nfs/dbraw/zinc/37/99/87/394379987.db2.gz CHSXQJBVGBECKO-UHFFFAOYSA-N 1 1 295.427 2.869 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000526941793 394384586 /nfs/dbraw/zinc/38/45/86/394384586.db2.gz QKKNCPFCCBEASN-HOCLYGCPSA-N 1 1 294.402 2.917 20 30 CFEDMO COCC#CC[N@@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000685056964 542891509 /nfs/dbraw/zinc/89/15/09/542891509.db2.gz YRRHKYYJGPGDER-UHFFFAOYSA-N 1 1 275.392 2.946 20 30 CFEDMO C=CCC[N@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000685044446 542889899 /nfs/dbraw/zinc/88/98/99/542889899.db2.gz SLKPKIZEFBCFBM-OAHLLOKOSA-N 1 1 270.376 2.987 20 30 CFEDMO CCc1ncc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)o1 ZINC000453391813 394395234 /nfs/dbraw/zinc/39/52/34/394395234.db2.gz QOVYZJVJDNFUME-HNNXBMFYSA-N 1 1 267.332 2.886 20 30 CFEDMO 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C=C(C)CC[N@@H+]1C[C@@H](C)O[C@H](CC(F)(F)F)C1 ZINC000662232720 414466194 /nfs/dbraw/zinc/46/61/94/414466194.db2.gz BSSKWBCETGYEDM-GHMZBOCLSA-N 1 1 251.292 2.994 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCc1ccccc1C ZINC000662082365 414400692 /nfs/dbraw/zinc/40/06/92/414400692.db2.gz UDXPDYCSOYHCHN-CALCHBBNSA-N 1 1 284.403 2.794 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncnn1C(C)(C)C ZINC000662090411 414404465 /nfs/dbraw/zinc/40/44/65/414404465.db2.gz OQDHANBGUKSQJM-BETUJISGSA-N 1 1 260.385 2.716 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ncnn1C(C)(C)C ZINC000662090411 414404471 /nfs/dbraw/zinc/40/44/71/414404471.db2.gz OQDHANBGUKSQJM-BETUJISGSA-N 1 1 260.385 2.716 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+]([C@H]2CC(=O)N(c3ccccc3)C2=O)C1 ZINC000656478421 414589465 /nfs/dbraw/zinc/58/94/65/414589465.db2.gz OBBBSYZNCSQVLA-ZBFHGGJFSA-N 1 1 298.386 2.607 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](OC)[C@@H]1CCOC1 ZINC000659858228 414591371 /nfs/dbraw/zinc/59/13/71/414591371.db2.gz 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226161546 /nfs/dbraw/zinc/16/15/46/226161546.db2.gz CTZFSYXHRPWTFB-HNNXBMFYSA-N 1 1 256.349 2.834 20 30 CFEDMO N#CC1(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)CC1 ZINC000347454073 226161551 /nfs/dbraw/zinc/16/15/51/226161551.db2.gz CTZFSYXHRPWTFB-HNNXBMFYSA-N 1 1 256.349 2.834 20 30 CFEDMO C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000329000291 227253004 /nfs/dbraw/zinc/25/30/04/227253004.db2.gz VOYIRVIAOAOFIM-GXFFZTMASA-N 1 1 275.352 2.741 20 30 CFEDMO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc2c[nH]nc21 ZINC000329201755 227350966 /nfs/dbraw/zinc/35/09/66/227350966.db2.gz XTLPNYQKLRCXTH-ZDUSSCGKSA-N 1 1 298.390 2.884 20 30 CFEDMO CCc1nn(C)cc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000329532469 227579322 /nfs/dbraw/zinc/57/93/22/227579322.db2.gz XHUWZJXBVSLVIM-LBPRGKRZSA-N 1 1 278.400 2.835 20 30 CFEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2csc(=O)[nH]2)C1 ZINC000329967351 228001208 /nfs/dbraw/zinc/00/12/08/228001208.db2.gz WDJPDSZWLJMCHW-JTQLQIEISA-N 1 1 297.424 2.664 20 30 CFEDMO O=C(Cc1ccc2n[nH]cc2c1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000330007651 228015080 /nfs/dbraw/zinc/01/50/80/228015080.db2.gz DTFKJVZBFYSADG-CYBMUJFWSA-N 1 1 298.390 2.546 20 30 CFEDMO CCc1onc(C)c1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000330101514 228039750 /nfs/dbraw/zinc/03/97/50/228039750.db2.gz IBYQSANFFMBLRG-JTQLQIEISA-N 1 1 277.368 2.500 20 30 CFEDMO C[C@@H](NC(=O)CC(C)(C)C#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000355916248 228049684 /nfs/dbraw/zinc/04/96/84/228049684.db2.gz JDSYMWWKUBIHJF-ZIAGYGMSSA-N 1 1 291.439 2.695 20 30 CFEDMO O=C(NC[C@@H](CO)C1CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000330317369 228139682 /nfs/dbraw/zinc/13/96/82/228139682.db2.gz QJHCWRAMGCACAK-GOEBONIOSA-N 1 1 294.439 2.759 20 30 CFEDMO N#CCc1ccc(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC000826738089 782027584 /nfs/dbraw/zinc/02/75/84/782027584.db2.gz UTZSRFAHGJPTSP-HZPDHXFCSA-N 1 1 283.375 2.708 20 30 CFEDMO C=CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000116858603 260005151 /nfs/dbraw/zinc/00/51/51/260005151.db2.gz ZAWZTCODOSEGPI-RDJZCZTQSA-N 1 1 286.419 2.979 20 30 CFEDMO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000117943129 260117291 /nfs/dbraw/zinc/11/72/91/260117291.db2.gz RSWRFNLZZNNBPL-ZJUUUORDSA-N 1 1 299.201 2.782 20 30 CFEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000117943134 260117328 /nfs/dbraw/zinc/11/73/28/260117328.db2.gz RSWRFNLZZNNBPL-NXEZZACHSA-N 1 1 299.201 2.782 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)Nc1cccc(OC)c1 ZINC000117870808 260117479 /nfs/dbraw/zinc/11/74/79/260117479.db2.gz CMVWIRMUQIUXNH-UHFFFAOYSA-N 1 1 262.353 2.532 20 30 CFEDMO CC[C@H]1C[C@@H](C[N@@H+](CCC#N)CC2CC2)CCO1 ZINC000356993592 260122362 /nfs/dbraw/zinc/12/23/62/260122362.db2.gz NYGCNMWRFUOVIX-GJZGRUSLSA-N 1 1 250.386 2.817 20 30 CFEDMO C[C@H](CNC(=O)C1(C#N)CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000408020905 260172319 /nfs/dbraw/zinc/17/23/19/260172319.db2.gz NVXMHHJZANSNNH-LSDHHAIUSA-N 1 1 291.439 2.697 20 30 CFEDMO C[C@H]1C[C@H](NC(=O)C(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000079555274 260176473 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ZINC000081044730 260329659 /nfs/dbraw/zinc/32/96/59/260329659.db2.gz VDKZPPVNVAQIEU-UHFFFAOYSA-N 1 1 260.385 2.679 20 30 CFEDMO N#CCC[N@H+](CCOc1ccc(C#N)cc1)CC1CC1 ZINC000081043569 260329973 /nfs/dbraw/zinc/32/99/73/260329973.db2.gz AKLBLNQAZAAOND-UHFFFAOYSA-N 1 1 269.348 2.563 20 30 CFEDMO N#CCC[N@@H+](CCOc1ccc(C#N)cc1)CC1CC1 ZINC000081043569 260329975 /nfs/dbraw/zinc/32/99/75/260329975.db2.gz AKLBLNQAZAAOND-UHFFFAOYSA-N 1 1 269.348 2.563 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000157941125 260870566 /nfs/dbraw/zinc/87/05/66/260870566.db2.gz UOULVDGODWTPRA-UHFFFAOYSA-N 1 1 284.831 2.900 20 30 CFEDMO CCCC(N)=[NH+]OCc1nc(C(F)(F)F)cs1 ZINC000154329263 261090301 /nfs/dbraw/zinc/09/03/01/261090301.db2.gz INVXKKVLKYMCBC-UHFFFAOYSA-N 1 1 267.276 2.751 20 30 CFEDMO C=CC[N@H+](C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000154788891 261095326 /nfs/dbraw/zinc/09/53/26/261095326.db2.gz CIOGRAMILJDJAG-UHFFFAOYSA-N 1 1 274.364 2.996 20 30 CFEDMO CCCCC(N)=[NH+]OCc1ccc(C#N)cc1OC ZINC000159631739 261190363 /nfs/dbraw/zinc/19/03/63/261190363.db2.gz PVSBWDFQKNJTEW-UHFFFAOYSA-N 1 1 261.325 2.546 20 30 CFEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(C)(C)C#N ZINC000174939931 261203771 /nfs/dbraw/zinc/20/37/71/261203771.db2.gz LKDZRZKPXJZIOD-INIZCTEOSA-N 1 1 299.418 2.517 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N1CC[N@@H+](CCOC)[C@H](CCC)C1 ZINC000249125432 261248553 /nfs/dbraw/zinc/24/85/53/261248553.db2.gz UROHTKYTIYNXGO-WBVHZDCISA-N 1 1 296.455 2.548 20 30 CFEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000249502811 261251878 /nfs/dbraw/zinc/25/18/78/261251878.db2.gz CLZSQSGCCOZGCW-SOUVJXGZSA-N 1 1 266.429 2.777 20 30 CFEDMO C[C@@H](CC#N)[N@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000161917451 261264135 /nfs/dbraw/zinc/26/41/35/261264135.db2.gz BOZBDJUAVDVLAH-NSHDSACASA-N 1 1 279.771 2.903 20 30 CFEDMO C[C@@H](CC#N)[N@@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000161917451 261264137 /nfs/dbraw/zinc/26/41/37/261264137.db2.gz BOZBDJUAVDVLAH-NSHDSACASA-N 1 1 279.771 2.903 20 30 CFEDMO 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C[C@@H](O)[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1F ZINC000583029348 325253991 /nfs/dbraw/zinc/25/39/91/325253991.db2.gz MIZLGWFMVUDCGH-BMIGLBTASA-N 1 1 290.363 2.971 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCN1CCCC1=O ZINC000583318314 325277332 /nfs/dbraw/zinc/27/73/32/325277332.db2.gz LQYMCPCRGJFLRV-CQSZACIVSA-N 1 1 285.391 2.564 20 30 CFEDMO C#C[C@@H](CC)[NH2+]Cc1cc(O)ccc1Br ZINC000309214533 326900832 /nfs/dbraw/zinc/90/08/32/326900832.db2.gz UEAFUXXJRYZIRP-JTQLQIEISA-N 1 1 268.154 2.656 20 30 CFEDMO CC(C)(C#N)CC[NH+]1CCN(c2ccccc2F)CC1 ZINC000087595207 326993149 /nfs/dbraw/zinc/99/31/49/326993149.db2.gz VNYBVBGUWQVVKK-UHFFFAOYSA-N 1 1 275.371 2.888 20 30 CFEDMO C=CCOc1ccc(CN2CC[N@H+](C)C[C@@H]2CC)cc1 ZINC000557399545 327004552 /nfs/dbraw/zinc/00/45/52/327004552.db2.gz RLXDRWMRMCCMDB-INIZCTEOSA-N 1 1 274.408 2.777 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CCN(C)C[C@@H]2CC)cc1 ZINC000557399545 327004554 /nfs/dbraw/zinc/00/45/54/327004554.db2.gz RLXDRWMRMCCMDB-INIZCTEOSA-N 1 1 274.408 2.777 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CCN(C)C[C@@H]2CC)cc1 ZINC000557399545 327004555 /nfs/dbraw/zinc/00/45/55/327004555.db2.gz RLXDRWMRMCCMDB-INIZCTEOSA-N 1 1 274.408 2.777 20 30 CFEDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000028917765 327046577 /nfs/dbraw/zinc/04/65/77/327046577.db2.gz CFXAUKBEEMPXNN-OCCSQVGLSA-N 1 1 284.363 2.739 20 30 CFEDMO Cc1cccc(N2CCC(C#N)(c3ccccn3)CC2)[nH+]1 ZINC000558568102 327107052 /nfs/dbraw/zinc/10/70/52/327107052.db2.gz YFJRKFBHDYPEMN-UHFFFAOYSA-N 1 1 278.359 2.847 20 30 CFEDMO C=C(C)CN1CCC([NH2+]Cc2ccc3nc[nH]c3c2)CC1 ZINC000518287825 327150933 /nfs/dbraw/zinc/15/09/33/327150933.db2.gz MUCODURODRJAGH-UHFFFAOYSA-N 1 1 284.407 2.693 20 30 CFEDMO CC#CC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000159361120 327175486 /nfs/dbraw/zinc/17/54/86/327175486.db2.gz DBKADQCMJAFPJV-KRWDZBQOSA-N 1 1 278.355 2.979 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC(CCC#N)CC1 ZINC000569489983 327185041 /nfs/dbraw/zinc/18/50/41/327185041.db2.gz YMJNMOINRJEZNG-OAHLLOKOSA-N 1 1 291.439 2.793 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@H](OCc2c(C)noc2C)C1 ZINC000560466075 327311687 /nfs/dbraw/zinc/31/16/87/327311687.db2.gz ROUHSINMKAWICV-AWEZNQCLSA-N 1 1 264.369 2.849 20 30 CFEDMO C=CCNC(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000560729414 327339163 /nfs/dbraw/zinc/33/91/63/327339163.db2.gz BYULMVWLDHDVMS-UHFFFAOYSA-N 1 1 293.455 2.716 20 30 CFEDMO C=CCOc1cccc(C[N@@H+]2CC[C@@](O)(CC)C2)c1 ZINC000428450205 327374588 /nfs/dbraw/zinc/37/45/88/327374588.db2.gz VBSYASGHRWGTRY-INIZCTEOSA-N 1 1 261.365 2.598 20 30 CFEDMO Clc1cccc(C#CC[N@H+]2CCC[C@@]23CCOC3)c1 ZINC000377407404 329014306 /nfs/dbraw/zinc/01/43/06/329014306.db2.gz AIPWUGVJJWCLJI-INIZCTEOSA-N 1 1 275.779 2.946 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](c3noc(CC)n3)C2)cc1 ZINC000377403132 329014440 /nfs/dbraw/zinc/01/44/40/329014440.db2.gz VRBWFQSCUYNSBF-INIZCTEOSA-N 1 1 295.386 2.993 20 30 CFEDMO CCN(CC#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000377467152 329015966 /nfs/dbraw/zinc/01/59/66/329015966.db2.gz CFYMMBUGQHJJTP-ZBFHGGJFSA-N 1 1 257.381 2.667 20 30 CFEDMO CC(C)(C)CC(=O)N1CC[C@H]2C[N@@H+](CCCCC#N)C[C@H]21 ZINC000377577669 329019494 /nfs/dbraw/zinc/01/94/94/329019494.db2.gz VAWUABDOCWNHNH-LSDHHAIUSA-N 1 1 291.439 2.649 20 30 CFEDMO C#CCCOc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000377647169 329022775 /nfs/dbraw/zinc/02/27/75/329022775.db2.gz LVXQSSLLKTUUND-ROUUACIJSA-N 1 1 298.430 2.805 20 30 CFEDMO C#CCCOc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000377647169 329022777 /nfs/dbraw/zinc/02/27/77/329022777.db2.gz LVXQSSLLKTUUND-ROUUACIJSA-N 1 1 298.430 2.805 20 30 CFEDMO C#Cc1ccc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1 ZINC000377710072 329026197 /nfs/dbraw/zinc/02/61/97/329026197.db2.gz ZYMKSTLXKWAIPN-GJYPPUQNSA-N 1 1 299.414 2.826 20 30 CFEDMO C=CC1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000377898377 329033979 /nfs/dbraw/zinc/03/39/79/329033979.db2.gz OUCVOOPGKJVRRM-MRXNPFEDSA-N 1 1 282.403 2.624 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)cc1 ZINC000378132943 329041070 /nfs/dbraw/zinc/04/10/70/329041070.db2.gz QXRKYPSSQOTGNZ-SFHVURJKSA-N 1 1 287.403 2.539 20 30 CFEDMO C=C(C)CN(CC)c1cccc(-n2cc[nH+]c2C)n1 ZINC000378190837 329042799 /nfs/dbraw/zinc/04/27/99/329042799.db2.gz NECFWZQVQIOMGC-UHFFFAOYSA-N 1 1 256.353 2.978 20 30 CFEDMO COc1ccc2c(c1)CC[N@@H+](C[C@@H](C#N)CCC#N)CC2 ZINC000378325142 329045972 /nfs/dbraw/zinc/04/59/72/329045972.db2.gz CBQSGDHJMSHPEO-CQSZACIVSA-N 1 1 283.375 2.539 20 30 CFEDMO COc1ccc2c(c1)CC[N@H+](C[C@@H](C#N)CCC#N)CC2 ZINC000378325142 329045973 /nfs/dbraw/zinc/04/59/73/329045973.db2.gz CBQSGDHJMSHPEO-CQSZACIVSA-N 1 1 283.375 2.539 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCC[C@H](CO)C2)cc1 ZINC000378346948 329046864 /nfs/dbraw/zinc/04/68/64/329046864.db2.gz SYXZAMLQFWOZSU-HOCLYGCPSA-N 1 1 288.391 2.572 20 30 CFEDMO C[N@H+]1CC[C@H]2CCN(CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC000378455089 329051186 /nfs/dbraw/zinc/05/11/86/329051186.db2.gz OMMCXFKQPBVYIQ-DOTOQJQBSA-N 1 1 288.822 2.718 20 30 CFEDMO C=CC(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000458984759 329063363 /nfs/dbraw/zinc/06/33/63/329063363.db2.gz GTADJCRPYKGFMY-KBPBESRZSA-N 1 1 281.444 2.713 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC)CC(C)(C)C ZINC000582640011 329116720 /nfs/dbraw/zinc/11/67/20/329116720.db2.gz NTBHATIDFRFDMT-UHFFFAOYSA-N 1 1 254.418 2.779 20 30 CFEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)CC ZINC000172654360 329136218 /nfs/dbraw/zinc/13/62/18/329136218.db2.gz FITBRQMTKKIZQT-ZIAGYGMSSA-N 1 1 254.418 2.968 20 30 CFEDMO C=CCOCCCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000173768778 329150930 /nfs/dbraw/zinc/15/09/30/329150930.db2.gz ZHMMBAOFQXHDJF-HNNXBMFYSA-N 1 1 296.455 2.596 20 30 CFEDMO C=CCCCC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000175322294 329164803 /nfs/dbraw/zinc/16/48/03/329164803.db2.gz OMAOGOBIOJKPKM-KGLIPLIRSA-N 1 1 252.402 2.579 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(CN2CCC[N@H+](C3CC3)CC2)cc1 ZINC000179729765 329208282 /nfs/dbraw/zinc/20/82/82/329208282.db2.gz FKYUEEHIWRTPJH-HNNXBMFYSA-N 1 1 299.418 2.648 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C3CC3)CC2)cc1 ZINC000179729765 329208283 /nfs/dbraw/zinc/20/82/83/329208283.db2.gz FKYUEEHIWRTPJH-HNNXBMFYSA-N 1 1 299.418 2.648 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCN(C3CC3)CC2)cc1 ZINC000179729765 329208284 /nfs/dbraw/zinc/20/82/84/329208284.db2.gz FKYUEEHIWRTPJH-HNNXBMFYSA-N 1 1 299.418 2.648 20 30 CFEDMO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cccc(OCCCC#N)c2)C1 ZINC000180855597 329223357 /nfs/dbraw/zinc/22/33/57/329223357.db2.gz DKVPCOBMQMOTBU-ZBFHGGJFSA-N 1 1 288.391 2.572 20 30 CFEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1OCC ZINC000181251953 329227462 /nfs/dbraw/zinc/22/74/62/329227462.db2.gz JXXRSQJHKFSPLF-CYBMUJFWSA-N 1 1 276.380 2.920 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OCC ZINC000181251953 329227463 /nfs/dbraw/zinc/22/74/63/329227463.db2.gz JXXRSQJHKFSPLF-CYBMUJFWSA-N 1 1 276.380 2.920 20 30 CFEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cccc2c1N=S=N2 ZINC000181263630 329228246 /nfs/dbraw/zinc/22/82/46/329228246.db2.gz NUXDGOAPLSQXGM-UHFFFAOYSA-N 1 1 276.365 2.859 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cccc2c1N=S=N2 ZINC000181263630 329228247 /nfs/dbraw/zinc/22/82/47/329228247.db2.gz NUXDGOAPLSQXGM-UHFFFAOYSA-N 1 1 276.365 2.859 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000181292913 329230006 /nfs/dbraw/zinc/23/00/06/329230006.db2.gz GMOPNOIBSBMQML-KBPBESRZSA-N 1 1 252.402 2.531 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)NCCc1ccccc1C ZINC000181295670 329230164 /nfs/dbraw/zinc/23/01/64/329230164.db2.gz NUIFOWHNASUXGT-OAHLLOKOSA-N 1 1 274.408 2.550 20 30 CFEDMO C=CC[C@H]1[N@@H+](Cc2cnnn2CC)CCCC1(C)C ZINC000459437665 329247882 /nfs/dbraw/zinc/24/78/82/329247882.db2.gz ZNXHULXKPJROOE-CQSZACIVSA-N 1 1 262.401 2.865 20 30 CFEDMO CC[C@H]1CN(c2ccccc2)CC[N@H+]1CCCC#N ZINC000184013385 329252412 /nfs/dbraw/zinc/25/24/12/329252412.db2.gz FDNPVQMWLXCFLP-HNNXBMFYSA-N 1 1 257.381 2.891 20 30 CFEDMO CC[C@H](CC#N)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000184090830 329256187 /nfs/dbraw/zinc/25/61/87/329256187.db2.gz CJKDHUVCTJNRGC-LLVKDONJSA-N 1 1 277.334 2.685 20 30 CFEDMO C=C(Br)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000227379180 329272240 /nfs/dbraw/zinc/27/22/40/329272240.db2.gz GWQHGZCDTCZCLC-RYUDHWBXSA-N 1 1 274.202 2.522 20 30 CFEDMO C=C(Br)C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000227379180 329272241 /nfs/dbraw/zinc/27/22/41/329272241.db2.gz GWQHGZCDTCZCLC-RYUDHWBXSA-N 1 1 274.202 2.522 20 30 CFEDMO C=CCCCCCNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000582913540 329287769 /nfs/dbraw/zinc/28/77/69/329287769.db2.gz LZUITMPBJNTYHX-AWEZNQCLSA-N 1 1 279.428 2.682 20 30 CFEDMO CC(C)[NH+](CCN[C@@H]1CCC[C@H](C#N)C1)C(C)C ZINC000185753138 329330898 /nfs/dbraw/zinc/33/08/98/329330898.db2.gz CJROXMQEWKNGJM-LSDHHAIUSA-N 1 1 251.418 2.777 20 30 CFEDMO C=C(C)C[N@@H+](CC)CCc1ccccc1C(=O)OC ZINC000186562405 329345456 /nfs/dbraw/zinc/34/54/56/329345456.db2.gz FPNKPULHMWOLSL-UHFFFAOYSA-N 1 1 261.365 2.914 20 30 CFEDMO C=CC[N@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000189709507 329385527 /nfs/dbraw/zinc/38/55/27/329385527.db2.gz NUHBDKFMCPHQCG-UHFFFAOYSA-N 1 1 298.180 2.838 20 30 CFEDMO C[S@](=O)C[C@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC000192159438 329430017 /nfs/dbraw/zinc/43/00/17/329430017.db2.gz BMEHRIUPFYSAOA-RXVVDRJESA-N 1 1 297.423 2.748 20 30 CFEDMO N#CC1CC[NH+](Cc2c[nH]nc2-c2cccs2)CC1 ZINC000123693825 329561557 /nfs/dbraw/zinc/56/15/57/329561557.db2.gz BSPMQFYUOBDSMN-UHFFFAOYSA-N 1 1 272.377 2.874 20 30 CFEDMO C=C(CC)C[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000419267549 329713111 /nfs/dbraw/zinc/71/31/11/329713111.db2.gz JSUPRIGYPSQPTE-HNNXBMFYSA-N 1 1 276.355 2.701 20 30 CFEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000161310939 329926753 /nfs/dbraw/zinc/92/67/53/329926753.db2.gz VZVUCSXAKBPWSW-QMMMGPOBSA-N 1 1 271.133 2.837 20 30 CFEDMO CC#CCC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000274145009 330103480 /nfs/dbraw/zinc/10/34/80/330103480.db2.gz HSSHMFOSLBEELV-OAHLLOKOSA-N 1 1 267.376 2.914 20 30 CFEDMO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@@H]1CCCc2ccccc21 ZINC000527128542 330224889 /nfs/dbraw/zinc/22/48/89/330224889.db2.gz SANLEOPJGKIOON-MRXNPFEDSA-N 1 1 297.402 2.558 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H](CC)c2ccccc2)nn1 ZINC000424111300 330239615 /nfs/dbraw/zinc/23/96/15/330239615.db2.gz AHHLCFYXDFGPBV-OAHLLOKOSA-N 1 1 256.353 2.705 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H]2CCc3cc(Cl)ccc32)nn1 ZINC000424121504 330251916 /nfs/dbraw/zinc/25/19/16/330251916.db2.gz GDKJVMNEFLMIGL-HNNXBMFYSA-N 1 1 288.782 2.895 20 30 CFEDMO CC(C)c1ncc2c(n1)CC[N@H+]([C@@H](C)CCC#N)C2 ZINC000527623549 330265944 /nfs/dbraw/zinc/26/59/44/330265944.db2.gz VECYPLRANSMDSI-LBPRGKRZSA-N 1 1 258.369 2.650 20 30 CFEDMO CC(C)c1ncc2c(n1)CC[N@@H+]([C@@H](C)CCC#N)C2 ZINC000527623549 330265946 /nfs/dbraw/zinc/26/59/46/330265946.db2.gz VECYPLRANSMDSI-LBPRGKRZSA-N 1 1 258.369 2.650 20 30 CFEDMO CC(C)c1ncc2c(n1)CC[N@H+]([C@H](C)CCC#N)C2 ZINC000527623548 330265971 /nfs/dbraw/zinc/26/59/71/330265971.db2.gz VECYPLRANSMDSI-GFCCVEGCSA-N 1 1 258.369 2.650 20 30 CFEDMO CC(C)c1ncc2c(n1)CC[N@@H+]([C@H](C)CCC#N)C2 ZINC000527623548 330265973 /nfs/dbraw/zinc/26/59/73/330265973.db2.gz VECYPLRANSMDSI-GFCCVEGCSA-N 1 1 258.369 2.650 20 30 CFEDMO CC(C)c1ncc2c(n1)CC[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000527622745 330266129 /nfs/dbraw/zinc/26/61/29/330266129.db2.gz FOMRHMAPUGXYIP-JSGCOSHPSA-N 1 1 270.380 2.650 20 30 CFEDMO CC(C)c1ncc2c(n1)CC[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000527622745 330266130 /nfs/dbraw/zinc/26/61/30/330266130.db2.gz FOMRHMAPUGXYIP-JSGCOSHPSA-N 1 1 270.380 2.650 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H](C)c2cc(C)ccc2C)nn1 ZINC000424142862 330285553 /nfs/dbraw/zinc/28/55/53/330285553.db2.gz QCUSQMADBMQTFA-AWEZNQCLSA-N 1 1 270.380 2.932 20 30 CFEDMO C=CC1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528288543 330318529 /nfs/dbraw/zinc/31/85/29/330318529.db2.gz MWBHEZHBSXEKJG-MRXNPFEDSA-N 1 1 291.439 2.611 20 30 CFEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000424584559 330389152 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CC(C)[N@H+](CCC#N)C[C@H]1C[C@@]1(C)Br ZINC000891693947 617714582 /nfs/dbraw/zinc/71/45/82/617714582.db2.gz JNIWAMGORJDGAG-GHMZBOCLSA-N 1 1 259.191 2.784 20 30 CFEDMO CC(C)[N@@H+](CCC#N)C[C@H]1C[C@@]1(C)Br ZINC000891693947 617714583 /nfs/dbraw/zinc/71/45/83/617714583.db2.gz JNIWAMGORJDGAG-GHMZBOCLSA-N 1 1 259.191 2.784 20 30 CFEDMO CCCC(=O)NC1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000891720010 617727830 /nfs/dbraw/zinc/72/78/30/617727830.db2.gz VEWDDICZXRKGKY-UHFFFAOYSA-N 1 1 291.420 2.500 20 30 CFEDMO N#Cc1ccc([C@@H]2C[N@H+](CCc3cncs3)CCO2)cc1 ZINC000933626766 617731381 /nfs/dbraw/zinc/73/13/81/617731381.db2.gz AOBQZSOGFGTVBQ-INIZCTEOSA-N 1 1 299.399 2.631 20 30 CFEDMO N#Cc1ccc([C@@H]2C[N@@H+](CCc3cncs3)CCO2)cc1 ZINC000933626766 617731383 /nfs/dbraw/zinc/73/13/83/617731383.db2.gz AOBQZSOGFGTVBQ-INIZCTEOSA-N 1 1 299.399 2.631 20 30 CFEDMO C#CC[N@H+](CC(=O)Nc1cc(F)ccc1F)C(C)(C)C ZINC000932466237 617778806 /nfs/dbraw/zinc/77/88/06/617778806.db2.gz VZBCTDGQGUVWCZ-UHFFFAOYSA-N 1 1 280.318 2.637 20 30 CFEDMO C#CC[N@@H+](CC(=O)Nc1cc(F)ccc1F)C(C)(C)C ZINC000932466237 617778809 /nfs/dbraw/zinc/77/88/09/617778809.db2.gz VZBCTDGQGUVWCZ-UHFFFAOYSA-N 1 1 280.318 2.637 20 30 CFEDMO Cc1cc(C#N)nc(NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000891837170 617779334 /nfs/dbraw/zinc/77/93/34/617779334.db2.gz CQWALCLXGDTDHV-ZDUSSCGKSA-N 1 1 258.369 2.548 20 30 CFEDMO C[C@H](CC#N)[N@@H+](C)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000891933732 617835109 /nfs/dbraw/zinc/83/51/09/617835109.db2.gz MOQWLJCRWPUKFL-UPJWGTAASA-N 1 1 281.400 2.524 20 30 CFEDMO CC(C)CC(N)=[NH+]OCCOc1ccccc1F ZINC000065204393 617891461 /nfs/dbraw/zinc/89/14/61/617891461.db2.gz FMNHGNFALKEUEM-UHFFFAOYSA-N 1 1 254.305 2.539 20 30 CFEDMO CO[C@H]1CC[C@@H]1[N@@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000934103445 617900703 /nfs/dbraw/zinc/90/07/03/617900703.db2.gz AOUHIJVSWOFAKR-HOTGVXAUSA-N 1 1 258.365 2.784 20 30 CFEDMO C=CCCCN(CC)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000890810280 617908687 /nfs/dbraw/zinc/90/86/87/617908687.db2.gz QPTVSQRCARCEQH-CQSZACIVSA-N 1 1 252.402 2.674 20 30 CFEDMO CCOC(=O)[C@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000932639206 617911526 /nfs/dbraw/zinc/91/15/26/617911526.db2.gz NGYPMYPGSMVAIC-ZDUSSCGKSA-N 1 1 266.385 2.591 20 30 CFEDMO CCOC(=O)[C@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000932642392 617913658 /nfs/dbraw/zinc/91/36/58/617913658.db2.gz CZXGZCRWXLMPPV-WFASDCNBSA-N 1 1 272.348 2.504 20 30 CFEDMO C#CCOc1ccc(CNCC[N@H+](CC)CCC)cc1 ZINC000177580101 617966509 /nfs/dbraw/zinc/96/65/09/617966509.db2.gz KWCKEUITWFVIPF-UHFFFAOYSA-N 1 1 274.408 2.520 20 30 CFEDMO C#CCOc1ccc(C[NH2+]CCN(CC)CCC)cc1 ZINC000177580101 617966512 /nfs/dbraw/zinc/96/65/12/617966512.db2.gz KWCKEUITWFVIPF-UHFFFAOYSA-N 1 1 274.408 2.520 20 30 CFEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2csc(C#N)c2)C1 ZINC000892146854 617972777 /nfs/dbraw/zinc/97/27/77/617972777.db2.gz ZPGYCPYVODMMPM-CQSZACIVSA-N 1 1 289.448 2.783 20 30 CFEDMO C#CCCCCC[N@@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[n-]1 ZINC000934269098 617981405 /nfs/dbraw/zinc/98/14/05/617981405.db2.gz CRZYKDWZZOXPBI-CYBMUJFWSA-N 1 1 289.379 2.521 20 30 CFEDMO C#CCCCCC[N@@H+]1CCC[C@@H]1c1ncc(OC)c(=O)[nH]1 ZINC000934269098 617981412 /nfs/dbraw/zinc/98/14/12/617981412.db2.gz CRZYKDWZZOXPBI-CYBMUJFWSA-N 1 1 289.379 2.521 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCN(c2ccccc2)[C@@H](C)C1 ZINC000934322674 617997934 /nfs/dbraw/zinc/99/79/34/617997934.db2.gz HYPMJSXRHHCWRB-DOTOQJQBSA-N 1 1 274.408 2.524 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934331160 618001014 /nfs/dbraw/zinc/00/10/14/618001014.db2.gz XYHGYEKCRYPUID-GFCCVEGCSA-N 1 1 263.410 2.947 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC)C1 ZINC001021483075 618023847 /nfs/dbraw/zinc/02/38/47/618023847.db2.gz UUWXFEOISRBBHD-GJZGRUSLSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021492791 618027838 /nfs/dbraw/zinc/02/78/38/618027838.db2.gz LKRNSXINKPAVLU-HOTGVXAUSA-N 1 1 276.424 2.676 20 30 CFEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccco2)C1 ZINC001021494903 618029082 /nfs/dbraw/zinc/02/90/82/618029082.db2.gz DZLKJNBPUUGSRM-CABCVRRESA-N 1 1 288.391 2.782 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccccn2)C1 ZINC001021502456 618031822 /nfs/dbraw/zinc/03/18/22/618031822.db2.gz MYTUHTPJWIQQHJ-RDJZCZTQSA-N 1 1 299.418 2.584 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccncc2)C1 ZINC001021500263 618032192 /nfs/dbraw/zinc/03/21/92/618032192.db2.gz VEBPRVNWGYCGDH-IAGOWNOFSA-N 1 1 299.418 2.584 20 30 CFEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001021509535 618035897 /nfs/dbraw/zinc/03/58/97/618035897.db2.gz AWGZGGZUTGRNAC-CABCVRRESA-N 1 1 278.440 2.922 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)COc1ccc(SC)cc1 ZINC000934458614 618038571 /nfs/dbraw/zinc/03/85/71/618038571.db2.gz BCZZHMRWIRJDGN-KBPBESRZSA-N 1 1 293.432 2.799 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccoc2)C1 ZINC001021520054 618039781 /nfs/dbraw/zinc/03/97/81/618039781.db2.gz UPGONZVYSFPKKZ-GDBMZVCRSA-N 1 1 288.391 2.782 20 30 CFEDMO C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC(C)(C)C)C1 ZINC001021521902 618041340 /nfs/dbraw/zinc/04/13/40/618041340.db2.gz BHLXBYWNJDQVFF-HZPDHXFCSA-N 1 1 290.451 2.759 20 30 CFEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000934464599 618042677 /nfs/dbraw/zinc/04/26/77/618042677.db2.gz GEMHONRSVZAQBG-CYBMUJFWSA-N 1 1 264.756 2.929 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1 ZINC000934464599 618042680 /nfs/dbraw/zinc/04/26/80/618042680.db2.gz GEMHONRSVZAQBG-CYBMUJFWSA-N 1 1 264.756 2.929 20 30 CFEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000934468028 618044031 /nfs/dbraw/zinc/04/40/31/618044031.db2.gz YQIIBOKUNJQBDP-KGLIPLIRSA-N 1 1 288.391 2.981 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000934468028 618044036 /nfs/dbraw/zinc/04/40/36/618044036.db2.gz YQIIBOKUNJQBDP-KGLIPLIRSA-N 1 1 288.391 2.981 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1cccc(F)c1 ZINC000934469637 618045019 /nfs/dbraw/zinc/04/50/19/618045019.db2.gz WWXIUAKBHFGUDT-CQSZACIVSA-N 1 1 262.328 2.805 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)c1ccc(F)c(F)c1 ZINC000934471565 618045728 /nfs/dbraw/zinc/04/57/28/618045728.db2.gz UTNBJWIEFRIAMV-FZMZJTMJSA-N 1 1 253.292 2.649 20 30 CFEDMO C=CC[C@H]1CC[N@H+]1CC(=O)N(Cc1ccccc1)C1CC1 ZINC000934470247 618046266 /nfs/dbraw/zinc/04/62/66/618046266.db2.gz MFCBYBOOYACRBL-INIZCTEOSA-N 1 1 284.403 2.828 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)COc1ccc(Cl)cc1 ZINC000934472026 618046961 /nfs/dbraw/zinc/04/69/61/618046961.db2.gz LCYCUOSTCDQBFM-KBPBESRZSA-N 1 1 281.783 2.730 20 30 CFEDMO C[C@]1(C2CC2)COCC[N@H+]1CC1CCC(C#N)CC1 ZINC000934475555 618050108 /nfs/dbraw/zinc/05/01/08/618050108.db2.gz NBUGLLOYJADMHQ-ZBCRRDGASA-N 1 1 262.397 2.817 20 30 CFEDMO C[C@@]1(C2CC2)COCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000934479143 618050411 /nfs/dbraw/zinc/05/04/11/618050411.db2.gz PQSWHASNVGRYCE-KRWDZBQOSA-N 1 1 270.376 2.754 20 30 CFEDMO C#C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000934516345 618062120 /nfs/dbraw/zinc/06/21/20/618062120.db2.gz FUXAQSZDURXWTA-CVEARBPZSA-N 1 1 290.451 2.759 20 30 CFEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(F)=C(C)C)C1 ZINC001021558440 618062360 /nfs/dbraw/zinc/06/23/60/618062360.db2.gz IGYSBFWKQVGAQN-KGLIPLIRSA-N 1 1 280.387 2.749 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1cnn(CC2CCC2)c1 ZINC000934560164 618074486 /nfs/dbraw/zinc/07/44/86/618074486.db2.gz IVCLDLDIVJSGPW-LBPRGKRZSA-N 1 1 284.363 2.999 20 30 CFEDMO Cc1nc(CO[NH+]=C(N)CCc2ccccc2)cs1 ZINC000049441893 618081628 /nfs/dbraw/zinc/08/16/28/618081628.db2.gz APAIUWZEYZHGQU-UHFFFAOYSA-N 1 1 275.377 2.873 20 30 CFEDMO CCCCC(N)=[NH+]OCc1csc(-c2cnn(C)c2)n1 ZINC000049441882 618081735 /nfs/dbraw/zinc/08/17/35/618081735.db2.gz VYINZDRIDZJMPL-UHFFFAOYSA-N 1 1 293.396 2.523 20 30 CFEDMO C=CC(C)(C)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000891267765 618089652 /nfs/dbraw/zinc/08/96/52/618089652.db2.gz BWCUHNYXWUUGIG-HNNXBMFYSA-N 1 1 272.392 2.589 20 30 CFEDMO C=CCCC[N@H+](CC)CCCS(=O)(=O)C(C)(C)C ZINC000934646499 618102122 /nfs/dbraw/zinc/10/21/22/618102122.db2.gz GYRAOHGMHNKQGL-UHFFFAOYSA-N 1 1 275.458 2.878 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)CC[C@H](C)O ZINC000779158670 618114400 /nfs/dbraw/zinc/11/44/00/618114400.db2.gz VYXVQZRVMJCHHF-LBPRGKRZSA-N 1 1 281.783 2.555 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)CC[C@H](C)O ZINC000779158670 618114402 /nfs/dbraw/zinc/11/44/02/618114402.db2.gz VYXVQZRVMJCHHF-LBPRGKRZSA-N 1 1 281.783 2.555 20 30 CFEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccnc(C)c2)C1 ZINC001021692047 618118430 /nfs/dbraw/zinc/11/84/30/618118430.db2.gz FYNRLVCRWLWBNO-SJORKVTESA-N 1 1 299.418 2.503 20 30 CFEDMO C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(C)cc2)C1 ZINC001021723273 618129158 /nfs/dbraw/zinc/12/91/58/618129158.db2.gz SYIBLFKZXMNPQB-QZTJIDSGSA-N 1 1 296.414 2.555 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN2C(=O)OC(C)(C)C ZINC000933044988 618144522 /nfs/dbraw/zinc/14/45/22/618144522.db2.gz FPTNOZKJSPSYIZ-QGZVFWFLSA-N 1 1 292.423 2.875 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H](OCC)C1 ZINC000155481478 618147972 /nfs/dbraw/zinc/14/79/72/618147972.db2.gz UCNZVHHFHFRPDG-MRXNPFEDSA-N 1 1 273.376 2.700 20 30 CFEDMO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cnn(C)n1 ZINC000926480669 618152628 /nfs/dbraw/zinc/15/26/28/618152628.db2.gz QHMOTGOZRYNXIV-HIFRSBDPSA-N 1 1 283.379 2.901 20 30 CFEDMO C[C@H](C#N)C(=O)N1CC[C@H]([N@@H+](C)CC2CCCCCC2)C1 ZINC000971209209 618153085 /nfs/dbraw/zinc/15/30/85/618153085.db2.gz RDOTVJIFNXUWTG-ZBFHGGJFSA-N 1 1 291.439 2.649 20 30 CFEDMO C=CCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000926483597 618154019 /nfs/dbraw/zinc/15/40/19/618154019.db2.gz TYJHHJZBMVLHKU-MQVJKMGUSA-N 1 1 280.456 2.820 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C2CCC2)C1 ZINC001023193972 618167506 /nfs/dbraw/zinc/16/75/06/618167506.db2.gz HERMKNSPKOAFMF-CQSZACIVSA-N 1 1 264.413 2.581 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccs2)C1 ZINC001023211758 618169034 /nfs/dbraw/zinc/16/90/34/618169034.db2.gz 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C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001024537392 618352537 /nfs/dbraw/zinc/35/25/37/618352537.db2.gz FBPFEJNFNHAPTR-CQSZACIVSA-N 1 1 290.432 2.582 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)sc1C ZINC001024537392 618352542 /nfs/dbraw/zinc/35/25/42/618352542.db2.gz FBPFEJNFNHAPTR-CQSZACIVSA-N 1 1 290.432 2.582 20 30 CFEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@H+](CC=C(C)C)C2)C1 ZINC001008436653 618352894 /nfs/dbraw/zinc/35/28/94/618352894.db2.gz GMEURABGCNORFM-OAHLLOKOSA-N 1 1 276.424 2.890 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)c(F)c1 ZINC001024541341 618354956 /nfs/dbraw/zinc/35/49/56/618354956.db2.gz IVNGSUWWBLQZBE-OAHLLOKOSA-N 1 1 290.382 2.904 20 30 CFEDMO Cc1coc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)c1 ZINC000895133133 618357145 /nfs/dbraw/zinc/35/71/45/618357145.db2.gz DEDQEQLKCWRIMJ-INIZCTEOSA-N 1 1 270.332 2.625 20 30 CFEDMO Cc1noc2ncc(C[NH2+]CC3(C#N)CCCC3)cc12 ZINC000895133620 618358347 /nfs/dbraw/zinc/35/83/47/618358347.db2.gz MWQLXUXUAXLEEH-UHFFFAOYSA-N 1 1 270.336 2.705 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccn2ccccc12 ZINC001024546955 618360275 /nfs/dbraw/zinc/36/02/75/618360275.db2.gz GQKLSIVVPWJLST-HNNXBMFYSA-N 1 1 297.402 2.710 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001024550881 618363942 /nfs/dbraw/zinc/36/39/42/618363942.db2.gz ODWGQIBUVAMTRX-ARFHVFGLSA-N 1 1 290.451 2.663 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ncc(Cl)s1 ZINC001024553064 618364976 /nfs/dbraw/zinc/36/49/76/618364976.db2.gz RFZQXTKKRSAZJC-JTQLQIEISA-N 1 1 299.827 2.567 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ncc(Cl)s1 ZINC001024553064 618364983 /nfs/dbraw/zinc/36/49/83/618364983.db2.gz RFZQXTKKRSAZJC-JTQLQIEISA-N 1 1 299.827 2.567 20 30 CFEDMO CSc1cccc(NC(=O)CO[NH+]=C(N)CC(C)C)c1 ZINC000049391779 618365286 /nfs/dbraw/zinc/36/52/86/618365286.db2.gz ZXUSFOBMEOWJMV-UHFFFAOYSA-N 1 1 295.408 2.682 20 30 CFEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1 ZINC000931026201 618371563 /nfs/dbraw/zinc/37/15/63/618371563.db2.gz SDLFQGXJZFIJDK-SJORKVTESA-N 1 1 285.391 2.734 20 30 CFEDMO C=C1CC(C)(C(=O)N[C@@H]2CCC[N@@H+](CC3CCC3)C2)C1 ZINC001008463938 618385631 /nfs/dbraw/zinc/38/56/31/618385631.db2.gz KHPPVIPPNVPCHA-OAHLLOKOSA-N 1 1 276.424 2.723 20 30 CFEDMO Cc1cc(C#N)nc(NCCCC[N@H+](C)C2CC2)c1 ZINC000894143379 618392659 /nfs/dbraw/zinc/39/26/59/618392659.db2.gz USYWLPZDRSAGIR-UHFFFAOYSA-N 1 1 258.369 2.548 20 30 CFEDMO C[C@@]1(C(F)F)C[N@@H+](CC2CCC(C#N)CC2)CCO1 ZINC000931080192 618405510 /nfs/dbraw/zinc/40/55/10/618405510.db2.gz QTOVYUSWJFCGDA-YIZWMMSDSA-N 1 1 272.339 2.672 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024612126 618416778 /nfs/dbraw/zinc/41/67/78/618416778.db2.gz LFRBPOXDPUTELC-CABCVRRESA-N 1 1 278.440 2.969 20 30 CFEDMO NC(=[NH+]OCC1CCC2(CC1)OCCO2)C1CCCCC1 ZINC000192186344 618423980 /nfs/dbraw/zinc/42/39/80/618423980.db2.gz DLUQAFWLYFYRSR-UHFFFAOYSA-N 1 1 296.411 2.789 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001024629583 618425409 /nfs/dbraw/zinc/42/54/09/618425409.db2.gz DPTWBBYRXWXNQG-FUHWJXTLSA-N 1 1 298.430 2.873 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001024629584 618425475 /nfs/dbraw/zinc/42/54/75/618425475.db2.gz DPTWBBYRXWXNQG-SJLPKXTDSA-N 1 1 298.430 2.873 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CCC)cc1 ZINC001024626335 618425547 /nfs/dbraw/zinc/42/55/47/618425547.db2.gz YZFMENCCMNOKBH-SFHVURJKSA-N 1 1 298.430 2.857 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCC(=C)CC1 ZINC001024633593 618426967 /nfs/dbraw/zinc/42/69/67/618426967.db2.gz LJRUPINLUVGYJS-QGZVFWFLSA-N 1 1 288.435 2.727 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1occc1Cl ZINC001024636738 618428966 /nfs/dbraw/zinc/42/89/66/618428966.db2.gz WWCGTQAVRXSPAO-LBPRGKRZSA-N 1 1 294.782 2.541 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC2(CC2)C1 ZINC001024644786 618431769 /nfs/dbraw/zinc/43/17/69/618431769.db2.gz YASRHPPRAHLPJI-OAHLLOKOSA-N 1 1 276.424 2.723 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024646406 618431913 /nfs/dbraw/zinc/43/19/13/618431913.db2.gz XMGWTLBJHPSIQC-BZUAXINKSA-N 1 1 278.440 2.969 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001024663033 618435723 /nfs/dbraw/zinc/43/57/23/618435723.db2.gz DMTKDKTWUGAYRP-QLFBSQMISA-N 1 1 264.413 2.579 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1c(C)cccc1C ZINC001024672642 618438351 /nfs/dbraw/zinc/43/83/51/618438351.db2.gz BGMVTHNTPKPFJK-QGZVFWFLSA-N 1 1 298.430 2.911 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2cc[nH]c2c1 ZINC001024681091 618441640 /nfs/dbraw/zinc/44/16/40/618441640.db2.gz NLRFRWHGOQFBFX-INIZCTEOSA-N 1 1 297.402 2.938 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001024681017 618442060 /nfs/dbraw/zinc/44/20/60/618442060.db2.gz GBELXIFNSPMSEM-OAHLLOKOSA-N 1 1 289.423 2.792 20 30 CFEDMO C[C@@H]([NH3+])[C@H](NCC(C)(C)CCC#N)c1ccccc1 ZINC000925672026 618443354 /nfs/dbraw/zinc/44/33/54/618443354.db2.gz GDJYKLPNSKONNA-HIFRSBDPSA-N 1 1 259.397 2.994 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001024704693 618448774 /nfs/dbraw/zinc/44/87/74/618448774.db2.gz QKRSRTNFGQESRB-OWCLPIDISA-N 1 1 276.424 2.579 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1oncc1C ZINC001024740022 618457310 /nfs/dbraw/zinc/45/73/10/618457310.db2.gz GVMWIRQCVRKMAQ-AWEZNQCLSA-N 1 1 291.395 2.534 20 30 CFEDMO C[N@H+]1CC[C@@H]2CC[C@H](C1)N2c1nc(C(C)(C)C)ccc1C#N ZINC000895192953 618459569 /nfs/dbraw/zinc/45/95/69/618459569.db2.gz NIFKHHLTBVGPCU-LSDHHAIUSA-N 1 1 298.434 2.924 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024766368 618464790 /nfs/dbraw/zinc/46/47/90/618464790.db2.gz QKRTXLCJYCHJRI-BZUAXINKSA-N 1 1 278.440 2.969 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001024785719 618469591 /nfs/dbraw/zinc/46/95/91/618469591.db2.gz NZVWBYQUCWKXEK-QGZVFWFLSA-N 1 1 298.430 2.911 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C(F)F)o1 ZINC001024781466 618470233 /nfs/dbraw/zinc/47/02/33/618470233.db2.gz UVWCJTIKZXYEFJ-LLVKDONJSA-N 1 1 298.333 2.988 20 30 CFEDMO Cc1ncoc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000895237100 618491239 /nfs/dbraw/zinc/49/12/39/618491239.db2.gz PTPZZHYFPIZNRP-UHFFFAOYSA-N 1 1 255.321 2.880 20 30 CFEDMO N#CCC1C[NH+](Cc2cc3c(cccc3O)s2)C1 ZINC000895253882 618499592 /nfs/dbraw/zinc/49/95/92/618499592.db2.gz LRAGSEUDCPLBLX-UHFFFAOYSA-N 1 1 258.346 2.952 20 30 CFEDMO C(#Cc1ccccc1)C[NH2+]Cc1cccnc1N1CCCC1 ZINC000895320907 618532669 /nfs/dbraw/zinc/53/26/69/618532669.db2.gz RJMYIGYGDZVXAN-UHFFFAOYSA-N 1 1 291.398 2.823 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1cccc2c1NCCC2 ZINC000895349937 618544209 /nfs/dbraw/zinc/54/42/09/618544209.db2.gz KQKZPMKYHCDSMV-UHFFFAOYSA-N 1 1 272.392 2.516 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@H](C)[C@H](C)O1 ZINC000782624344 618649076 /nfs/dbraw/zinc/64/90/76/618649076.db2.gz UYNVAYYONUACEV-MCIONIFRSA-N 1 1 274.364 2.587 20 30 CFEDMO C=CCc1cc(C[N@H+](CC)CCC#N)c(O)c(OC)c1 ZINC000164199063 618685034 /nfs/dbraw/zinc/68/50/34/618685034.db2.gz HJXWPEZXWFBCHS-UHFFFAOYSA-N 1 1 274.364 2.865 20 30 CFEDMO C=CCc1cc(C[N@@H+](CC)CCC#N)c(O)c(OC)c1 ZINC000164199063 618685036 /nfs/dbraw/zinc/68/50/36/618685036.db2.gz HJXWPEZXWFBCHS-UHFFFAOYSA-N 1 1 274.364 2.865 20 30 CFEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2cscc2Cl)C1 ZINC001007564234 618704404 /nfs/dbraw/zinc/70/44/04/618704404.db2.gz ZGKBQFMFOHVKRL-JTQLQIEISA-N 1 1 284.812 2.782 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cscc2Cl)C1 ZINC001007564234 618704406 /nfs/dbraw/zinc/70/44/06/618704406.db2.gz ZGKBQFMFOHVKRL-JTQLQIEISA-N 1 1 284.812 2.782 20 30 CFEDMO C#CCCc1noc([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000923882934 618718964 /nfs/dbraw/zinc/71/89/64/618718964.db2.gz MEDZXGUZPHAEDJ-GOEBONIOSA-N 1 1 295.386 2.871 20 30 CFEDMO C#CCOc1ccc(CNC[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000236635392 618736704 /nfs/dbraw/zinc/73/67/04/618736704.db2.gz OPFGRZVRWUSTON-QGZVFWFLSA-N 1 1 288.435 2.765 20 30 CFEDMO NC(=[NH+]OCCOc1cccc(F)c1)C1CCCC1 ZINC000172069935 618741231 /nfs/dbraw/zinc/74/12/31/618741231.db2.gz JSACYMDVOVAPSU-UHFFFAOYSA-N 1 1 266.316 2.684 20 30 CFEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(C(C)(C)O)cc1 ZINC000926874597 618778386 /nfs/dbraw/zinc/77/83/86/618778386.db2.gz RFHAFRCKDAKDAR-LBPRGKRZSA-N 1 1 258.365 2.868 20 30 CFEDMO CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000926875221 618779166 /nfs/dbraw/zinc/77/91/66/618779166.db2.gz WTHIVEBCVOUFAH-IAQYHMDHSA-N 1 1 291.370 2.531 20 30 CFEDMO C#CCC[N@H+](CCOC)CCc1c(F)cccc1Cl ZINC000852751963 618780609 /nfs/dbraw/zinc/78/06/09/618780609.db2.gz KRCGNLYNUUKGSE-UHFFFAOYSA-N 1 1 283.774 2.993 20 30 CFEDMO CC[C@@H](C)[N@@H+](CCO)Cc1c(C)cc(C#N)cc1C ZINC000930488606 618844713 /nfs/dbraw/zinc/84/47/13/618844713.db2.gz KLSJYBIFBLSAMS-CQSZACIVSA-N 1 1 260.381 2.768 20 30 CFEDMO CC1(C)[C@H](O)CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930530505 618856784 /nfs/dbraw/zinc/85/67/84/618856784.db2.gz SZZBYVGXZKTVRG-CYBMUJFWSA-N 1 1 264.756 2.557 20 30 CFEDMO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2cccc(C(C)C)c2)C1 ZINC001007780079 618857064 /nfs/dbraw/zinc/85/70/64/618857064.db2.gz DWGFRELCZVOVNO-SFHVURJKSA-N 1 1 298.430 2.566 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)Cc2cccc(C(C)C)c2)C1 ZINC001007780079 618857065 /nfs/dbraw/zinc/85/70/65/618857065.db2.gz DWGFRELCZVOVNO-SFHVURJKSA-N 1 1 298.430 2.566 20 30 CFEDMO C#CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000893239993 618900318 /nfs/dbraw/zinc/90/03/18/618900318.db2.gz WNWAYWDGFLMUDB-FBVQUNGASA-N 1 1 268.404 2.966 20 30 CFEDMO C#CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000893239993 618900319 /nfs/dbraw/zinc/90/03/19/618900319.db2.gz WNWAYWDGFLMUDB-FBVQUNGASA-N 1 1 268.404 2.966 20 30 CFEDMO CCc1ccc(NC(=[NH2+])NC[C@H](CC(C)C)N(C)C)cc1 ZINC000104160395 618938286 /nfs/dbraw/zinc/93/82/86/618938286.db2.gz QEYDJORDWWLIJF-INIZCTEOSA-N 1 1 290.455 2.952 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](OC(F)F)C2)cs1 ZINC000893488250 619016391 /nfs/dbraw/zinc/01/63/91/619016391.db2.gz QUBLKQFOFRVAAI-SNVBAGLBSA-N 1 1 272.320 2.823 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cs1 ZINC000893488250 619016394 /nfs/dbraw/zinc/01/63/94/619016394.db2.gz QUBLKQFOFRVAAI-SNVBAGLBSA-N 1 1 272.320 2.823 20 30 CFEDMO N#Cc1ccc(CN2CCn3cc[nH+]c32)c(C(F)(F)F)c1 ZINC000931517936 619020252 /nfs/dbraw/zinc/02/02/52/619020252.db2.gz ANGNPPQMRPXWBB-UHFFFAOYSA-N 1 1 292.264 2.794 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001009779687 619038411 /nfs/dbraw/zinc/03/84/11/619038411.db2.gz PZYKFVWRRKTLOX-MRXNPFEDSA-N 1 1 290.451 2.807 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)CC2CCC(C)(C)CC2)C1 ZINC001009779687 619038417 /nfs/dbraw/zinc/03/84/17/619038417.db2.gz PZYKFVWRRKTLOX-MRXNPFEDSA-N 1 1 290.451 2.807 20 30 CFEDMO CC(C)(O)[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000931613594 619055902 /nfs/dbraw/zinc/05/59/02/619055902.db2.gz ZOYTUANJLAKWPA-YMAMQOFZSA-N 1 1 264.413 2.799 20 30 CFEDMO Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC000909400634 619057608 /nfs/dbraw/zinc/05/76/08/619057608.db2.gz IHGDGNUWMFPJMZ-CVEARBPZSA-N 1 1 283.375 2.822 20 30 CFEDMO CSc1ccc(CN[C@H]2CC[NH2+]CC[C@@H]2C)cc1C#N ZINC000925771632 619085227 /nfs/dbraw/zinc/08/52/27/619085227.db2.gz CNSBNSFVVNFTQK-WFASDCNBSA-N 1 1 289.448 2.758 20 30 CFEDMO C[C@@H](C#N)C(=O)N1CCC[N@@H+](CCC2=CCCCC2)CC1 ZINC000980849306 619107097 /nfs/dbraw/zinc/10/70/97/619107097.db2.gz IMXNBNHNEKBBCZ-HNNXBMFYSA-N 1 1 289.423 2.571 20 30 CFEDMO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CNCCC1(F)F ZINC000925783419 619107557 /nfs/dbraw/zinc/10/75/57/619107557.db2.gz NXPYNKLDIUINCZ-STQMWFEESA-N 1 1 260.372 2.956 20 30 CFEDMO C[C@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](CCC(C)(C)C)C2 ZINC000981671697 619135335 /nfs/dbraw/zinc/13/53/35/619135335.db2.gz FKGIKKCDFDHPKV-CQSZACIVSA-N 1 1 291.439 2.507 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCSC3(CCOCC3)C2)cs1 ZINC000893660151 619147891 /nfs/dbraw/zinc/14/78/91/619147891.db2.gz VXYSWTWWPGKXPW-UHFFFAOYSA-N 1 1 294.445 2.718 20 30 CFEDMO C=C[C@@H](CC)CC(=O)Nc1c[nH+]ccc1-n1cccn1 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C[C@@]1(CCCO)CCC[N@H+]1Cc1csc(C#N)c1 ZINC000894484115 619398501 /nfs/dbraw/zinc/39/85/01/619398501.db2.gz CHRCAZCFPMVFLW-AWEZNQCLSA-N 1 1 264.394 2.747 20 30 CFEDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2csc(C#N)c2)C1 ZINC000894496420 619403322 /nfs/dbraw/zinc/40/33/22/619403322.db2.gz PYNRSBGZFJQEKI-ZFWWWQNUSA-N 1 1 275.421 2.536 20 30 CFEDMO Cc1ncoc1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000894588985 619425161 /nfs/dbraw/zinc/42/51/61/619425161.db2.gz GDGGGFJZGZPJGG-CQSZACIVSA-N 1 1 253.305 2.632 20 30 CFEDMO CCc1noc(C)c1C[NH2+]CC#Cc1ccccc1 ZINC000894613168 619429695 /nfs/dbraw/zinc/42/96/95/619429695.db2.gz GFKNROQDSMYQAI-UHFFFAOYSA-N 1 1 254.333 2.687 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cs1 ZINC000894706546 619448373 /nfs/dbraw/zinc/44/83/73/619448373.db2.gz FNFUTRWFYHSACM-RRFJBIMHSA-N 1 1 276.405 2.745 20 30 CFEDMO CCCc1ncc(C[NH2+]CC#Cc2ccccc2)o1 ZINC000894750860 619456833 /nfs/dbraw/zinc/45/68/33/619456833.db2.gz GUJCZLXSWHZDMK-UHFFFAOYSA-N 1 1 254.333 2.768 20 30 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CCC[C@H](C[N@@H+](C)Cc1cc(C#N)cs1)OC ZINC000897624787 620261836 /nfs/dbraw/zinc/26/18/36/620261836.db2.gz XUEQRFNGZCMZHP-GFCCVEGCSA-N 1 1 252.383 2.867 20 30 CFEDMO C=C1CCC(C(=O)N2CCC[N@H+](C)C[C@@H]2CC)CC1 ZINC000897631375 620264486 /nfs/dbraw/zinc/26/44/86/620264486.db2.gz WNVYZKRTCPZPKY-HNNXBMFYSA-N 1 1 264.413 2.676 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001007058992 620287708 /nfs/dbraw/zinc/28/77/08/620287708.db2.gz SZXUOCCDPOYCAA-CAOSSQGBSA-N 1 1 276.424 2.579 20 30 CFEDMO C=CCC(C)(C)CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897841464 620292217 /nfs/dbraw/zinc/29/22/17/620292217.db2.gz QFJSFXAOVAPJJN-LBPRGKRZSA-N 1 1 252.402 2.578 20 30 CFEDMO C=C1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000897849109 620293912 /nfs/dbraw/zinc/29/39/12/620293912.db2.gz FPHPCMIYSVKYJH-KRWDZBQOSA-N 1 1 276.424 2.677 20 30 CFEDMO C=CCCC[N@H+](CC)Cc1ncc(CN(C)C)s1 ZINC000898244367 620356259 /nfs/dbraw/zinc/35/62/59/620356259.db2.gz IDVIHXQJNMJAEI-UHFFFAOYSA-N 1 1 267.442 2.993 20 30 CFEDMO CC#CC[N@@H+]1CCCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC000989625730 620384048 /nfs/dbraw/zinc/38/40/48/620384048.db2.gz NNJRLIUDXCMBFN-UHFFFAOYSA-N 1 1 290.432 2.536 20 30 CFEDMO CC#CC[N@H+]1CCCN(C(=O)c2cc(C)c(C)s2)CC1 ZINC000989625730 620384050 /nfs/dbraw/zinc/38/40/50/620384050.db2.gz NNJRLIUDXCMBFN-UHFFFAOYSA-N 1 1 290.432 2.536 20 30 CFEDMO C=CC[N@H+]1CCCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000989638488 620384719 /nfs/dbraw/zinc/38/47/19/620384719.db2.gz WIBNYHQNHYWNLE-UHFFFAOYSA-N 1 1 284.403 2.509 20 30 CFEDMO C=CC[N@H+]1CCCN(C(=O)[C@H](C=C)c2ccccc2)CC1 ZINC000989717882 620388119 /nfs/dbraw/zinc/38/81/19/620388119.db2.gz MEPYPMMRLDWLSB-QGZVFWFLSA-N 1 1 284.403 2.677 20 30 CFEDMO C=CC[N@@H+]1CCCN(C(=O)[C@H](C)c2ccccc2C)CC1 ZINC000989719841 620388128 /nfs/dbraw/zinc/38/81/28/620388128.db2.gz MXXHPXGHDCMXKL-MRXNPFEDSA-N 1 1 286.419 2.819 20 30 CFEDMO C=C(CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000322666236 620389321 /nfs/dbraw/zinc/38/93/21/620389321.db2.gz 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620391350 /nfs/dbraw/zinc/39/13/50/620391350.db2.gz IWYCOCJFWIBHCU-HUUCEWRRSA-N 1 1 278.440 2.779 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001014443423 620392523 /nfs/dbraw/zinc/39/25/23/620392523.db2.gz ZUIYNDQWBZPTRG-LSDHHAIUSA-N 1 1 276.424 2.723 20 30 CFEDMO CCC(=O)N[C@]12CCC[C@H]1[N@@H+](Cc1cccc(C#N)c1)CC2 ZINC000989867248 620396330 /nfs/dbraw/zinc/39/63/30/620396330.db2.gz ORJZHQTVSHTWLK-AEFFLSMTSA-N 1 1 297.402 2.581 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C3CCC3)CCC[C@@H]12 ZINC000989892084 620398659 /nfs/dbraw/zinc/39/86/59/620398659.db2.gz DOTZBKVOQZKSQM-WBVHZDCISA-N 1 1 276.424 2.866 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CC3CC3)CCC[C@H]12 ZINC000989902633 620399554 /nfs/dbraw/zinc/39/95/54/620399554.db2.gz BACCCKCEHMHMBG-DOTOQJQBSA-N 1 1 276.424 2.866 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccccc3F)CCC[C@H]12 ZINC000989903249 620399733 /nfs/dbraw/zinc/39/97/33/620399733.db2.gz LJYOVLJTEOJSBV-DOTOQJQBSA-N 1 1 288.366 2.739 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)CC3CC3)CCC[C@@H]12 ZINC000989903282 620399836 /nfs/dbraw/zinc/39/98/36/620399836.db2.gz LSHNVJAKOVGHLC-HIFRSBDPSA-N 1 1 282.815 2.652 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)CC3CC3)CCC[C@@H]12 ZINC000989903282 620399837 /nfs/dbraw/zinc/39/98/37/620399837.db2.gz LSHNVJAKOVGHLC-HIFRSBDPSA-N 1 1 282.815 2.652 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)c3ccncc3)CCC[C@@H]12 ZINC000989909975 620400536 /nfs/dbraw/zinc/40/05/36/620400536.db2.gz MFUVNHQLSWVEAO-SJLPKXTDSA-N 1 1 299.418 2.775 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C(C)(C)F)CCC[C@@H]12 ZINC000989900060 620400563 /nfs/dbraw/zinc/40/05/63/620400563.db2.gz PHHXRTLHENFTRK-CZUORRHYSA-N 1 1 282.403 2.814 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)c3ccccn3)CCC[C@@H]12 ZINC000989907335 620400997 /nfs/dbraw/zinc/40/09/97/620400997.db2.gz YLVZAVJBVCBABM-SJLPKXTDSA-N 1 1 299.418 2.775 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3ccco3)CCC[C@H]12 ZINC000989913606 620401739 /nfs/dbraw/zinc/40/17/39/620401739.db2.gz UBKAFTIHVCVSJF-HOCLYGCPSA-N 1 1 274.364 2.583 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C)s3)CCC[C@H]12 ZINC000989916293 620401745 /nfs/dbraw/zinc/40/17/45/620401745.db2.gz RZEWZMZYLZVVCR-GOEBONIOSA-N 1 1 290.432 2.969 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cccs3)CCC[C@H]12 ZINC000989924682 620402714 /nfs/dbraw/zinc/40/27/14/620402714.db2.gz BEAGWXPDKURNSD-DZGCQCFKSA-N 1 1 276.405 2.661 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)oc3C)CCC[C@H]12 ZINC000989945585 620404816 /nfs/dbraw/zinc/40/48/16/620404816.db2.gz NRQRCCWSAWQRJT-RDJZCZTQSA-N 1 1 288.391 2.809 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)c3ccoc3)CCC[C@@H]12 ZINC000989955200 620405383 /nfs/dbraw/zinc/40/53/83/620405383.db2.gz WPAFFABZUBDPTC-UKRRQHHQSA-N 1 1 294.782 2.759 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)c3ccoc3)CCC[C@@H]12 ZINC000989955200 620405386 /nfs/dbraw/zinc/40/53/86/620405386.db2.gz WPAFFABZUBDPTC-UKRRQHHQSA-N 1 1 294.782 2.759 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3occc3C)CCC[C@@H]12 ZINC000989957708 620406489 /nfs/dbraw/zinc/40/64/89/620406489.db2.gz KAJFFAYMHLQWBZ-RHSMWYFYSA-N 1 1 288.391 2.891 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3CC(C)C3)CCC[C@H]12 ZINC000990174856 620411242 /nfs/dbraw/zinc/41/12/42/620411242.db2.gz HMTJTAUROYYWKD-NDTCATRNSA-N 1 1 276.424 2.722 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3cc[nH]c3C)CCC[C@H]12 ZINC000990178439 620411542 /nfs/dbraw/zinc/41/15/42/620411542.db2.gz YMOGNRSELCPAMM-DOTOQJQBSA-N 1 1 287.407 2.626 20 30 CFEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001014550666 620425235 /nfs/dbraw/zinc/42/52/35/620425235.db2.gz NMYHMPCRGCQOGO-AWEZNQCLSA-N 1 1 296.370 2.569 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001014550666 620425237 /nfs/dbraw/zinc/42/52/37/620425237.db2.gz NMYHMPCRGCQOGO-AWEZNQCLSA-N 1 1 296.370 2.569 20 30 CFEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[C@@H]3C(F)F)CCC[C@H]12 ZINC000990511005 620427817 /nfs/dbraw/zinc/42/78/17/620427817.db2.gz APAACPHNCURDBP-QCQGSNGOSA-N 1 1 298.377 2.577 20 30 CFEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)C3CC(C)(C)C3)CCC[C@H]12 ZINC000990540810 620429918 /nfs/dbraw/zinc/42/99/18/620429918.db2.gz FOLOOTCPSLXLQR-MAUKXSAKSA-N 1 1 288.435 2.559 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccsc3C)CCC[C@@H]12 ZINC000990587478 620432852 /nfs/dbraw/zinc/43/28/52/620432852.db2.gz IQAPPTARJMFPAR-ZBFHGGJFSA-N 1 1 290.432 2.969 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)cc1 ZINC000898422681 620462554 /nfs/dbraw/zinc/46/25/54/620462554.db2.gz MTESIDOXRRMWHI-CVEARBPZSA-N 1 1 257.402 2.853 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000898587424 620480180 /nfs/dbraw/zinc/48/01/80/620480180.db2.gz NUBSOHUYLOHICI-HNNXBMFYSA-N 1 1 299.418 2.782 20 30 CFEDMO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)CC1 ZINC000898674445 620487695 /nfs/dbraw/zinc/48/76/95/620487695.db2.gz GGZGPXJOEIHTCU-HNNXBMFYSA-N 1 1 264.413 2.676 20 30 CFEDMO C#Cc1ccc(NC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000899918068 620611509 /nfs/dbraw/zinc/61/15/09/620611509.db2.gz IOFIEYRDDPEEJT-IBGZPJMESA-N 1 1 294.398 2.573 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(N)c2)no1 ZINC000900008927 620622411 /nfs/dbraw/zinc/62/24/11/620622411.db2.gz QTADHWMWRTUVTI-GFCCVEGCSA-N 1 1 258.325 2.675 20 30 CFEDMO C[C@@H](NCC[N@@H+]1CCC(C)(C)C1)c1ccc(C#N)cc1 ZINC000901686467 620893871 /nfs/dbraw/zinc/89/38/71/620893871.db2.gz WNCOBPXUAFDKMO-CQSZACIVSA-N 1 1 271.408 2.941 20 30 CFEDMO C[C@@H](NCC[N@H+]1CCC(C)(C)C1)c1ccc(C#N)cc1 ZINC000901686467 620893874 /nfs/dbraw/zinc/89/38/74/620893874.db2.gz WNCOBPXUAFDKMO-CQSZACIVSA-N 1 1 271.408 2.941 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C3C=CC=CC=C3)CCC[C@@H]12 ZINC000990934479 620951515 /nfs/dbraw/zinc/95/15/15/620951515.db2.gz JRMPFVZBNVJBPJ-IEBWSBKVSA-N 1 1 298.430 2.974 20 30 CFEDMO Cn1c[nH+]cc1CCCON=Cc1ccc(F)cc1 ZINC000902141935 620986380 /nfs/dbraw/zinc/98/63/80/620986380.db2.gz OITFVQHQFQFLDW-UHFFFAOYSA-N 1 1 261.300 2.543 20 30 CFEDMO Cn1c[nH+]cc1CCCON=Cc1ccccc1F ZINC000902154836 620988661 /nfs/dbraw/zinc/98/86/61/620988661.db2.gz ZYWIQICHPDJKBX-UHFFFAOYSA-N 1 1 261.300 2.543 20 30 CFEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cn(CC)cn2)c1 ZINC000902242835 621010802 /nfs/dbraw/zinc/01/08/02/621010802.db2.gz DZWIPTXJPBCVMA-INIZCTEOSA-N 1 1 298.390 2.874 20 30 CFEDMO C[C@@H]1CCN(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1=O ZINC000902593857 621126545 /nfs/dbraw/zinc/12/65/45/621126545.db2.gz MZULJKXJWWSJLD-CQSZACIVSA-N 1 1 297.402 2.564 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000801925335 621144103 /nfs/dbraw/zinc/14/41/03/621144103.db2.gz BANQVTVUJBPZTK-YCPHGPKFSA-N 1 1 258.365 2.793 20 30 CFEDMO C=CCCC[N@H+](CC)CN1C[C@H](c2cccnc2)CC1=O ZINC000902670188 621148197 /nfs/dbraw/zinc/14/81/97/621148197.db2.gz ZGVVJXCKEGYKOR-MRXNPFEDSA-N 1 1 287.407 2.643 20 30 CFEDMO C=CCCC[N@H+](CC)CN1C[C@H]2CCCCN2C1=O ZINC000902669255 621148404 /nfs/dbraw/zinc/14/84/04/621148404.db2.gz JIWWPWIWCPDLEZ-CQSZACIVSA-N 1 1 265.401 2.522 20 30 CFEDMO CC(C)C[C@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)N(C)C ZINC000902740306 621156253 /nfs/dbraw/zinc/15/62/53/621156253.db2.gz RKZYXECHRALTLD-DZGCQCFKSA-N 1 1 274.412 2.580 20 30 CFEDMO COc1ccc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)cc1OC ZINC000902720766 621156798 /nfs/dbraw/zinc/15/67/98/621156798.db2.gz OIYCTMVCTKZZDI-LBPRGKRZSA-N 1 1 297.358 2.821 20 30 CFEDMO CCn1nc(C)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000924784783 621162705 /nfs/dbraw/zinc/16/27/05/621162705.db2.gz IITFTDMUFNRBBL-NWDGAFQWSA-N 1 1 283.379 2.890 20 30 CFEDMO CC[C@@H]([NH2+]CCCN(C)CCOC)c1cccc(C#N)c1 ZINC000902745497 621163824 /nfs/dbraw/zinc/16/38/24/621163824.db2.gz PCUVWNCZANIVAO-QGZVFWFLSA-N 1 1 289.423 2.567 20 30 CFEDMO CC[C@H]([NH2+]Cc1nccn1C)c1cccc(C#N)c1 ZINC000902789695 621176975 /nfs/dbraw/zinc/17/69/75/621176975.db2.gz MGWWKHFUPZWEDO-AWEZNQCLSA-N 1 1 254.337 2.533 20 30 CFEDMO CC[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000902797445 621179987 /nfs/dbraw/zinc/17/99/87/621179987.db2.gz WDIUZJLVBQPHQU-RDJZCZTQSA-N 1 1 271.408 2.941 20 30 CFEDMO C=CCC[C@H]([NH2+]CCc1n[nH]c(C)n1)[C@]1(C)CCCCO1 ZINC000902944912 621207545 /nfs/dbraw/zinc/20/75/45/621207545.db2.gz NSCVDVPQEVLMBC-HOCLYGCPSA-N 1 1 292.427 2.539 20 30 CFEDMO C=CCC[C@H]([NH2+]CCc1nnc(C)[nH]1)[C@]1(C)CCCCO1 ZINC000902944912 621207546 /nfs/dbraw/zinc/20/75/46/621207546.db2.gz NSCVDVPQEVLMBC-HOCLYGCPSA-N 1 1 292.427 2.539 20 30 CFEDMO N#CC1(CCCC[N@H+]2CC[C@H](Nc3ncccn3)C2)CCC1 ZINC000903019214 621223002 /nfs/dbraw/zinc/22/30/02/621223002.db2.gz KGJMWZBSRWGSBH-HNNXBMFYSA-N 1 1 299.422 2.827 20 30 CFEDMO Cc1ccncc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903007900 621228290 /nfs/dbraw/zinc/22/82/90/621228290.db2.gz JHBATHAAVIBTJN-LBPRGKRZSA-N 1 1 252.321 2.508 20 30 CFEDMO Cc1cc(C)c(C[NH2+][C@H](C)c2cc(C#N)ccn2)cn1 ZINC000903013684 621229746 /nfs/dbraw/zinc/22/97/46/621229746.db2.gz GSKYGSMMGPCFAW-CYBMUJFWSA-N 1 1 266.348 2.816 20 30 CFEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000903035395 621230894 /nfs/dbraw/zinc/23/08/94/621230894.db2.gz OCGULFBQFAIBER-CYBMUJFWSA-N 1 1 285.391 2.733 20 30 CFEDMO CC(=O)N1CC[C@H]([NH2+]CC2(C#N)CCC2)c2ccccc21 ZINC000903035699 621230995 /nfs/dbraw/zinc/23/09/95/621230995.db2.gz SUDFSAFPHIAWOX-HNNXBMFYSA-N 1 1 283.375 2.768 20 30 CFEDMO CC(C)[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nncn1C ZINC000903066773 621239459 /nfs/dbraw/zinc/23/94/59/621239459.db2.gz XFMAJFUUNZRTBA-DOMZBBRYSA-N 1 1 283.379 2.735 20 30 CFEDMO C[C@H](CN1CCC(C)CC1)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903052908 621242614 /nfs/dbraw/zinc/24/26/14/621242614.db2.gz LJODRAKRGGUZLV-HUUCEWRRSA-N 1 1 286.423 2.724 20 30 CFEDMO COC(=O)c1ccc([C@@H](C)[NH2+]CC(C)(C)C#N)c(C)c1 ZINC000903102313 621253376 /nfs/dbraw/zinc/25/33/76/621253376.db2.gz WAGUQRCYGVCINL-GFCCVEGCSA-N 1 1 274.364 2.982 20 30 CFEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1N(C)C ZINC000903105591 621254886 /nfs/dbraw/zinc/25/48/86/621254886.db2.gz FJNKGZBLDAFCPP-LLVKDONJSA-N 1 1 261.344 2.846 20 30 CFEDMO COc1ncc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1Cl ZINC000903105552 621255252 /nfs/dbraw/zinc/25/52/52/621255252.db2.gz DQTYWBFELJBGNU-SECBINFHSA-N 1 1 265.744 2.698 20 30 CFEDMO C[C@@H]([NH2+]CC1(C#N)CCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000903108942 621255884 /nfs/dbraw/zinc/25/58/84/621255884.db2.gz IQIQNKMYEAHNSA-GFCCVEGCSA-N 1 1 299.374 2.752 20 30 CFEDMO C[N@H+]1CC[C@H](NCC2(C#N)CCCC2)[C@@H]2CCC[C@@H]21 ZINC000903108542 621256134 /nfs/dbraw/zinc/25/61/34/621256134.db2.gz CTFJKZBXDAGORT-KKUMJFAQSA-N 1 1 261.413 2.533 20 30 CFEDMO CC(C)(CC#N)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903183460 621278001 /nfs/dbraw/zinc/27/80/01/621278001.db2.gz OTIZIQOYQWSHNX-LQDVMPOASA-N 1 1 261.413 2.674 20 30 CFEDMO CC(C)(CC#N)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903183460 621278003 /nfs/dbraw/zinc/27/80/03/621278003.db2.gz OTIZIQOYQWSHNX-LQDVMPOASA-N 1 1 261.413 2.674 20 30 CFEDMO CN(C)c1ccnc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)c1 ZINC000903198545 621282722 /nfs/dbraw/zinc/28/27/22/621282722.db2.gz MAQSEECTDXPMKP-GOSISDBHSA-N 1 1 292.386 2.796 20 30 CFEDMO C[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1cncs1 ZINC000903305805 621325116 /nfs/dbraw/zinc/32/51/16/621325116.db2.gz QCULDQKJZNYNBS-UWVGGRQHSA-N 1 1 258.350 2.822 20 30 CFEDMO CC[C@@H]([NH2+]Cc1cn(C)cn1)c1cccc(C#N)c1 ZINC000903351179 621342899 /nfs/dbraw/zinc/34/28/99/621342899.db2.gz ILOCVSZNFXKNID-OAHLLOKOSA-N 1 1 254.337 2.533 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000903475807 621390387 /nfs/dbraw/zinc/39/03/87/621390387.db2.gz DOKOPXAOAUHKRY-WMZOPIPTSA-N 1 1 283.419 2.749 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(F)cc1C#N ZINC000903794788 621439391 /nfs/dbraw/zinc/43/93/91/621439391.db2.gz DWINEFIHLZNMOV-CQSZACIVSA-N 1 1 275.327 2.509 20 30 CFEDMO C#CC[NH+]1CCC(c2nc([C@H](OCC)C(C)C)no2)CC1 ZINC000904122272 621527931 /nfs/dbraw/zinc/52/79/31/621527931.db2.gz YVPORWCFRDFXQS-CQSZACIVSA-N 1 1 291.395 2.616 20 30 CFEDMO C[C@H](C(=O)N(O)Cc1cc(Cl)cc(Cl)c1)[NH+](C)C ZINC000904178525 621543686 /nfs/dbraw/zinc/54/36/86/621543686.db2.gz MNCJBMFMRGVFLL-MRVPVSSYSA-N 1 1 291.178 2.661 20 30 CFEDMO C[N@@H+]1CCCC[C@H]1C(=O)N(O)Cc1ccccc1Cl ZINC000904188681 621545393 /nfs/dbraw/zinc/54/53/93/621545393.db2.gz JKVGOQKSVZHCPA-ZDUSSCGKSA-N 1 1 282.771 2.542 20 30 CFEDMO C[N@H+]1CCCC[C@H]1C(=O)N(O)Cc1ccccc1Cl ZINC000904188681 621545396 /nfs/dbraw/zinc/54/53/96/621545396.db2.gz JKVGOQKSVZHCPA-ZDUSSCGKSA-N 1 1 282.771 2.542 20 30 CFEDMO O=C([C@@H]1CCC[N@H+]1C1CC1)N(O)Cc1ccccc1Cl ZINC000904190627 621546408 /nfs/dbraw/zinc/54/64/08/621546408.db2.gz OFDOHWAADOPLJV-AWEZNQCLSA-N 1 1 294.782 2.685 20 30 CFEDMO C[C@@H]1[C@H](C(=O)N(O)CCCCc2ccccc2)CC[N@H+]1C ZINC000904195806 621547709 /nfs/dbraw/zinc/54/77/09/621547709.db2.gz KZHNHSUPEAPJHH-GDBMZVCRSA-N 1 1 290.407 2.567 20 30 CFEDMO C=CCOc1ccc(CN[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000904462541 621597432 /nfs/dbraw/zinc/59/74/32/621597432.db2.gz VQAUOVANOUGHRY-RTBURBONSA-N 1 1 294.398 2.966 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(COCC(F)(F)F)no1 ZINC000904529274 621604988 /nfs/dbraw/zinc/60/49/88/621604988.db2.gz DMHXBZNJEMLULN-MRVPVSSYSA-N 1 1 279.262 2.505 20 30 CFEDMO CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000904679011 621621319 /nfs/dbraw/zinc/62/13/19/621621319.db2.gz WXKBYZNANWJBJD-AWEZNQCLSA-N 1 1 279.428 2.790 20 30 CFEDMO COC[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC000832738019 625503132 /nfs/dbraw/zinc/50/31/32/625503132.db2.gz DFBNMNQESNJSHX-INIZCTEOSA-N 1 1 288.391 2.837 20 30 CFEDMO CCCCCCCCC[N@H+]1CCN(CCO)C[C@H]1C ZINC000832781635 625514433 /nfs/dbraw/zinc/51/44/33/625514433.db2.gz CWHKKAQSBGYYMF-MRXNPFEDSA-N 1 1 270.461 2.735 20 30 CFEDMO CCO[C@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000905456805 621777127 /nfs/dbraw/zinc/77/71/27/621777127.db2.gz NNBJQIYIPFDRBT-NSHDSACASA-N 1 1 286.173 2.829 20 30 CFEDMO C=CC[C@H]([NH2+]CC[C@@H]1CCCC1(F)F)C(=O)OC ZINC000905782188 621847633 /nfs/dbraw/zinc/84/76/33/621847633.db2.gz ZBMIMICYRVRMRG-QWRGUYRKSA-N 1 1 261.312 2.519 20 30 CFEDMO C=CC[C@H]([NH2+]C[C@@H]1CC=CC[C@H]1C(F)(F)F)C(=O)OC ZINC000905776879 621844991 /nfs/dbraw/zinc/84/49/91/621844991.db2.gz IECKJTHMSGUCRL-TUAOUCFPSA-N 1 1 291.313 2.838 20 30 CFEDMO C=CC[C@H]([NH2+]C1CCC(CSC)CC1)C(=O)OC ZINC000905771312 621860933 /nfs/dbraw/zinc/86/09/33/621860933.db2.gz SHDZPTOKEBSAGC-BPCQOVAHSA-N 1 1 271.426 2.616 20 30 CFEDMO C=CC[C@H]([NH2+]CC(C)(C)CC(F)(F)F)C(=O)OC ZINC000905774219 621862191 /nfs/dbraw/zinc/86/21/91/621862191.db2.gz NLQARWACAVCRLI-VIFPVBQESA-N 1 1 267.291 2.672 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cc(C)oc2C)C1 ZINC001015860106 625530483 /nfs/dbraw/zinc/53/04/83/625530483.db2.gz ITWSNAVPTCAKFO-ZFWWWQNUSA-N 1 1 290.407 2.767 20 30 CFEDMO C[C@@H](CNC(=O)c1ccsc1C#N)[N@H+]1CCCC[C@@H]1C ZINC000906150028 621940325 /nfs/dbraw/zinc/94/03/25/621940325.db2.gz JCKFNRFUMJHISZ-RYUDHWBXSA-N 1 1 291.420 2.612 20 30 CFEDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc(C)c1C#N ZINC000906198599 621958287 /nfs/dbraw/zinc/95/82/87/621958287.db2.gz HCTCZJFVADUUTP-SJORKVTESA-N 1 1 297.402 2.532 20 30 CFEDMO C[N@H+]1CCN(C(=O)C2(C#N)CCCC2)CC12CCCCC2 ZINC000908577631 622248209 /nfs/dbraw/zinc/24/82/09/622248209.db2.gz OSSWITMMCROIAT-UHFFFAOYSA-N 1 1 289.423 2.547 20 30 CFEDMO Cc1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc(C)c1C#N ZINC000909914281 622366574 /nfs/dbraw/zinc/36/65/74/622366574.db2.gz LUWCUPXWRGHMDF-HNNXBMFYSA-N 1 1 299.418 2.637 20 30 CFEDMO C[C@@H](C[NH+]1CCOCC1)/N=C/c1c(O)ccc2ccccc21 ZINC000044009946 622456403 /nfs/dbraw/zinc/45/64/03/622456403.db2.gz CLFWUFGXAMMKLM-BXUJETTOSA-N 1 1 298.386 2.685 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC3(F)F)CCC[C@@H]12 ZINC000991299490 622504448 /nfs/dbraw/zinc/50/44/48/622504448.db2.gz LQVRTPOGXGAZGB-UMVBOHGHSA-N 1 1 298.377 2.721 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC3(F)F)CCC[C@H]12 ZINC000991299488 622504740 /nfs/dbraw/zinc/50/47/40/622504740.db2.gz LQVRTPOGXGAZGB-KCQAQPDRSA-N 1 1 298.377 2.721 20 30 CFEDMO CCCN(C(=O)c1cc(C)c(C#N)c(C)c1)[C@H]1CC[N@@H+](C)C1 ZINC000911513301 622525604 /nfs/dbraw/zinc/52/56/04/622525604.db2.gz XUOGNLQKXDBGTJ-INIZCTEOSA-N 1 1 299.418 2.731 20 30 CFEDMO C=C(C[NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccccc1 ZINC000924839932 622525677 /nfs/dbraw/zinc/52/56/77/622525677.db2.gz AQBSDCLAVFHNPQ-JSGCOSHPSA-N 1 1 254.337 2.587 20 30 CFEDMO C#CCC1(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CCCCC1 ZINC000819719319 622547267 /nfs/dbraw/zinc/54/72/67/622547267.db2.gz SPEXLVZFRYYUKG-JKSUJKDBSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CC[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)c1ccncc1 ZINC000820017641 622598405 /nfs/dbraw/zinc/59/84/05/622598405.db2.gz BNOFUQQSYFFGEP-OAHLLOKOSA-N 1 1 298.390 2.835 20 30 CFEDMO C=CCC[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000912045142 622617780 /nfs/dbraw/zinc/61/77/80/622617780.db2.gz LHHKVZRMORPEFP-ARFHVFGLSA-N 1 1 291.439 2.753 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)Cc3ccccc3)CCC[C@H]12 ZINC000991415841 622789973 /nfs/dbraw/zinc/78/99/73/622789973.db2.gz LRWXCXRRUJESMS-FUHWJXTLSA-N 1 1 284.403 2.528 20 30 CFEDMO C=C(C)C(C)(C)C(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000820994833 622814715 /nfs/dbraw/zinc/81/47/15/622814715.db2.gz STVQZZRQCSZOTG-STQMWFEESA-N 1 1 251.370 2.759 20 30 CFEDMO C=C(C)C(C)(C)C(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000820994832 622815224 /nfs/dbraw/zinc/81/52/24/622815224.db2.gz STVQZZRQCSZOTG-QWHCGFSZSA-N 1 1 251.370 2.759 20 30 CFEDMO C=CCC1(C(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000821000083 622815736 /nfs/dbraw/zinc/81/57/36/622815736.db2.gz XVKGZNLAVZLKBD-GJZGRUSLSA-N 1 1 293.407 2.529 20 30 CFEDMO C=CCC1(C(=O)OCC[C@H]2CCCC[N@@H+]2C)CCOCC1 ZINC000821166485 622859349 /nfs/dbraw/zinc/85/93/49/622859349.db2.gz CBJGYHMYTODXBD-OAHLLOKOSA-N 1 1 295.423 2.777 20 30 CFEDMO C=C(Br)C[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000821336715 622897619 /nfs/dbraw/zinc/89/76/19/622897619.db2.gz IBJWVAZWFKDPLH-LBPRGKRZSA-N 1 1 298.228 2.754 20 30 CFEDMO C=C(Br)C[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000821336715 622897621 /nfs/dbraw/zinc/89/76/21/622897621.db2.gz IBJWVAZWFKDPLH-LBPRGKRZSA-N 1 1 298.228 2.754 20 30 CFEDMO C#CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC000821340461 622898061 /nfs/dbraw/zinc/89/80/61/622898061.db2.gz YOLQCQIEMBZVIQ-MRXNPFEDSA-N 1 1 286.419 2.845 20 30 CFEDMO C[C@H](C#N)C[N@H+](C)C1CC(OCc2ccccc2)C1 ZINC000821367827 622905431 /nfs/dbraw/zinc/90/54/31/622905431.db2.gz GSFYGPQUAIRFNG-IUDNXUCKSA-N 1 1 258.365 2.826 20 30 CFEDMO C[C@H](C#N)C[N@@H+](C)C1CC(OCc2ccccc2)C1 ZINC000821367827 622905434 /nfs/dbraw/zinc/90/54/34/622905434.db2.gz GSFYGPQUAIRFNG-IUDNXUCKSA-N 1 1 258.365 2.826 20 30 CFEDMO C[C@H](C[NH2+]Cc1ccc(C#N)cc1F)N1CCCCC1 ZINC000044993596 622954231 /nfs/dbraw/zinc/95/42/31/622954231.db2.gz NRMZDMZLVGGGQK-CYBMUJFWSA-N 1 1 275.371 2.661 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)CCC1CC1 ZINC000876812416 622960013 /nfs/dbraw/zinc/96/00/13/622960013.db2.gz VANKJTAIHFMLMI-UHFFFAOYSA-N 1 1 257.381 2.856 20 30 CFEDMO C[C@H]1CCCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000226733132 623089340 /nfs/dbraw/zinc/08/93/40/623089340.db2.gz LIXCQNPJRBIKFK-XJKSGUPXSA-N 1 1 258.365 2.856 20 30 CFEDMO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](CC)C[C@@H]1C ZINC000822569392 623128114 /nfs/dbraw/zinc/12/81/14/623128114.db2.gz SHFOMSIVRHPCHF-UONOGXRCSA-N 1 1 252.402 2.531 20 30 CFEDMO C[C@H](c1noc([C@H]([NH3+])CCCC#N)n1)C(C)(C)C ZINC000822827879 623183111 /nfs/dbraw/zinc/18/31/11/623183111.db2.gz SPODANXIATUMNK-NXEZZACHSA-N 1 1 250.346 2.913 20 30 CFEDMO Cc1ccccc1OCc1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000822852131 623188383 /nfs/dbraw/zinc/18/83/83/623188383.db2.gz PAXMTWHBFRJRNE-LBPRGKRZSA-N 1 1 286.335 2.651 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCc2c(C)cccc2C1 ZINC000170922531 623192948 /nfs/dbraw/zinc/19/29/48/623192948.db2.gz WDOFBDWJEKNCEL-UHFFFAOYSA-N 1 1 286.419 2.778 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCc2c(C)cccc2C1 ZINC000170922531 623192949 /nfs/dbraw/zinc/19/29/49/623192949.db2.gz WDOFBDWJEKNCEL-UHFFFAOYSA-N 1 1 286.419 2.778 20 30 CFEDMO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000171033930 623202114 /nfs/dbraw/zinc/20/21/14/623202114.db2.gz VLELHXPSALXQHN-ZDUSSCGKSA-N 1 1 281.400 2.669 20 30 CFEDMO C=CC[N@H+](CCC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000171611073 623233386 /nfs/dbraw/zinc/23/33/86/623233386.db2.gz LNQLJYUIXPHAOK-CYBMUJFWSA-N 1 1 268.401 2.894 20 30 CFEDMO CC1(Cc2noc([C@@H]([NH3+])CCCC#N)n2)CCCC1 ZINC000823224904 623267597 /nfs/dbraw/zinc/26/75/97/623267597.db2.gz CPCQWTRXOKLRBF-NSHDSACASA-N 1 1 262.357 2.886 20 30 CFEDMO C#CC[N@@H+](CC)Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000823419028 623313262 /nfs/dbraw/zinc/31/32/62/623313262.db2.gz OQLQMKYRLGNLIG-UHFFFAOYSA-N 1 1 296.370 2.827 20 30 CFEDMO C#CC[N@H+](CC)Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000823419028 623313265 /nfs/dbraw/zinc/31/32/65/623313265.db2.gz OQLQMKYRLGNLIG-UHFFFAOYSA-N 1 1 296.370 2.827 20 30 CFEDMO C[C@@H](CC#N)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000063086390 623318612 /nfs/dbraw/zinc/31/86/12/623318612.db2.gz ZSMQWJHBMZMOCB-ZDUSSCGKSA-N 1 1 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272.739 2.852 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1cc(F)cc(F)c1O ZINC000783301605 628699036 /nfs/dbraw/zinc/69/90/36/628699036.db2.gz ZDLDIJGXGKYRIK-SECBINFHSA-N 1 1 289.285 2.788 20 30 CFEDMO CN(CCC#N)c1ccc(C[N@H+]2CCOCC3(CC3)C2)cc1 ZINC000783599301 628725386 /nfs/dbraw/zinc/72/53/86/628725386.db2.gz MFWDHIHKBNPZKB-UHFFFAOYSA-N 1 1 299.418 2.649 20 30 CFEDMO C=CC[N@@H+](CN1C[C@H](c2ccc(C)cc2)CC1=O)C1CC1 ZINC000783993755 628760675 /nfs/dbraw/zinc/76/06/75/628760675.db2.gz OHACKNPARAAHMQ-MRXNPFEDSA-N 1 1 284.403 2.919 20 30 CFEDMO C=CC[N@H+](CN1C[C@H](c2ccc(C)cc2)CC1=O)C1CC1 ZINC000783993755 628760677 /nfs/dbraw/zinc/76/06/77/628760677.db2.gz OHACKNPARAAHMQ-MRXNPFEDSA-N 1 1 284.403 2.919 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000784670047 628835716 /nfs/dbraw/zinc/83/57/16/628835716.db2.gz LETNVMYUCBLHGU-BPUTZDHNSA-N 1 1 288.391 2.713 20 30 CFEDMO C#CCOCC[N@@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000852186989 634683481 /nfs/dbraw/zinc/68/34/81/634683481.db2.gz JMIKJZTVEAMPSG-MRXNPFEDSA-N 1 1 257.377 2.904 20 30 CFEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000785541659 628892510 /nfs/dbraw/zinc/89/25/10/628892510.db2.gz UKDZKJDPDXVQCD-JKIFEVAISA-N 1 1 288.391 2.570 20 30 CFEDMO C#CC[N@H+](Cc1cccnc1OC)C1CCCCC1 ZINC000785668976 628902693 /nfs/dbraw/zinc/90/26/93/628902693.db2.gz CGKIOFNBDXHYOF-UHFFFAOYSA-N 1 1 258.365 2.858 20 30 CFEDMO C=C(CC)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805788758 628917591 /nfs/dbraw/zinc/91/75/91/628917591.db2.gz RXEDDSSMRSKHMJ-SRVKXCTJSA-N 1 1 292.345 2.730 20 30 CFEDMO C=C(CC)C[N@H+]1CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]1C ZINC000805788758 628917592 /nfs/dbraw/zinc/91/75/92/628917592.db2.gz RXEDDSSMRSKHMJ-SRVKXCTJSA-N 1 1 292.345 2.730 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1Cc1c(C)nn(C)c1Cl ZINC000785997432 628928990 /nfs/dbraw/zinc/92/89/90/628928990.db2.gz OHAOLGYRSSPGCD-LLVKDONJSA-N 1 1 253.777 2.922 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1c(C)nn(C)c1Cl ZINC000785997432 628928994 /nfs/dbraw/zinc/92/89/94/628928994.db2.gz OHAOLGYRSSPGCD-LLVKDONJSA-N 1 1 253.777 2.922 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cc(OC)ccc1OC ZINC000785997210 628929181 /nfs/dbraw/zinc/92/91/81/628929181.db2.gz KBVZPIYIZBGXNH-CJNGLKHVSA-N 1 1 291.391 2.778 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@H](c2ccccc2C)CC1=O ZINC000786101058 628937278 /nfs/dbraw/zinc/93/72/78/628937278.db2.gz ILUHDUHEYGAUPX-OAHLLOKOSA-N 1 1 272.392 2.776 20 30 CFEDMO C=CCC[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000786578677 628969479 /nfs/dbraw/zinc/96/94/79/628969479.db2.gz LRTUMFHGIIYUMF-UHFFFAOYSA-N 1 1 256.390 2.798 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](COC)c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000786914188 628984471 /nfs/dbraw/zinc/98/44/71/628984471.db2.gz AGMPGPAZNUPJTL-HRCADAONSA-N 1 1 293.794 2.798 20 30 CFEDMO C#CCC1(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CCCCC1 ZINC000788227245 629051921 /nfs/dbraw/zinc/05/19/21/629051921.db2.gz MKRFHPDFRMBEFT-GJZGRUSLSA-N 1 1 288.435 2.702 20 30 CFEDMO CC(C)[N@@H+]1CC(N=Nc2ccc3c(cc[nH]c3=O)c2)[C@H](C)C1 ZINC000789062648 629121480 /nfs/dbraw/zinc/12/14/80/629121480.db2.gz PUUHGABVLWATJP-GFCCVEGCSA-N 1 1 298.390 2.656 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCCCCO)cc1 ZINC000789763603 629186117 /nfs/dbraw/zinc/18/61/17/629186117.db2.gz MJHXKGSVDQIOSZ-AWEZNQCLSA-N 1 1 276.380 2.572 20 30 CFEDMO Cc1[nH+]ccn1-c1ccc(C(C)N=Nc2nccn2C)cc1 ZINC000790299729 629227301 /nfs/dbraw/zinc/22/73/01/629227301.db2.gz IMPFEXDZTOXGBF-UHFFFAOYSA-N 1 1 294.362 2.750 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000852319193 634718848 /nfs/dbraw/zinc/71/88/48/634718848.db2.gz HVFVUVBHIAPQMY-CYBMUJFWSA-N 1 1 256.349 2.842 20 30 CFEDMO C#Cc1cccc(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000790483821 629242526 /nfs/dbraw/zinc/24/25/26/629242526.db2.gz UADLPNPICZQTHV-MRXNPFEDSA-N 1 1 299.418 2.910 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000852319595 634719437 /nfs/dbraw/zinc/71/94/37/634719437.db2.gz PWCOMMBTZLIGEE-NHYWBVRUSA-N 1 1 280.318 2.624 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000852319595 634719441 /nfs/dbraw/zinc/71/94/41/634719441.db2.gz PWCOMMBTZLIGEE-NHYWBVRUSA-N 1 1 280.318 2.624 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000852319713 634719678 /nfs/dbraw/zinc/71/96/78/634719678.db2.gz RCTSLWWXTNCYBZ-GOEBONIOSA-N 1 1 299.374 2.637 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](CC2(Br)CC2)C1 ZINC000852319725 634720940 /nfs/dbraw/zinc/72/09/40/634720940.db2.gz BRYUPNVBFTVQHS-SNVBAGLBSA-N 1 1 257.175 2.540 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328525 634722080 /nfs/dbraw/zinc/72/20/80/634722080.db2.gz HAPATNUFZBLRTR-INIZCTEOSA-N 1 1 255.365 2.905 20 30 CFEDMO C=CCCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328525 634722086 /nfs/dbraw/zinc/72/20/86/634722086.db2.gz HAPATNUFZBLRTR-INIZCTEOSA-N 1 1 255.365 2.905 20 30 CFEDMO CC(C)CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852327698 634722212 /nfs/dbraw/zinc/72/22/12/634722212.db2.gz UUUHIEQEPAVGON-INIZCTEOSA-N 1 1 257.381 2.985 20 30 CFEDMO CC(C)CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852327698 634722216 /nfs/dbraw/zinc/72/22/16/634722216.db2.gz UUUHIEQEPAVGON-INIZCTEOSA-N 1 1 257.381 2.985 20 30 CFEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000791584567 629336787 /nfs/dbraw/zinc/33/67/87/629336787.db2.gz PCFAYBWKAWQGDK-LERXQTSPSA-N 1 1 298.308 2.864 20 30 CFEDMO C=CC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1)[C@H](C)COC ZINC000852356856 634731263 /nfs/dbraw/zinc/73/12/63/634731263.db2.gz QCLLYIXMOJYNHE-IUODEOHRSA-N 1 1 283.799 2.896 20 30 CFEDMO C=CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)[C@@H](C)COC ZINC000852358320 634732426 /nfs/dbraw/zinc/73/24/26/634732426.db2.gz PYFOCNOBHNAWBI-NSHDSACASA-N 1 1 295.354 2.757 20 30 CFEDMO C=CC[N@@H+](C[C@H](O)c1ccc(F)cc1F)[C@@H](C)COC ZINC000852358537 634732603 /nfs/dbraw/zinc/73/26/03/634732603.db2.gz VWSNLFRTGOUHMK-NHYWBVRUSA-N 1 1 285.334 2.521 20 30 CFEDMO C=CC[N@H+](CC(=O)NC1CCCCCCC1)[C@@H](C)COC ZINC000852359842 634732837 /nfs/dbraw/zinc/73/28/37/634732837.db2.gz OJOXBFKFXXWSSO-HNNXBMFYSA-N 1 1 296.455 2.738 20 30 CFEDMO C=CC[N@@H+](CC(=O)NC1CCCCCCC1)[C@@H](C)COC ZINC000852359842 634732840 /nfs/dbraw/zinc/73/28/40/634732840.db2.gz OJOXBFKFXXWSSO-HNNXBMFYSA-N 1 1 296.455 2.738 20 30 CFEDMO C#CC[N@H+](Cc1ccc(-n2ccnc2)cc1C)C1CC1 ZINC000792292118 629418339 /nfs/dbraw/zinc/41/83/39/629418339.db2.gz TYSRREZVTZEIIE-UHFFFAOYSA-N 1 1 265.360 2.778 20 30 CFEDMO Cc1ccc2c(c1)C[N@H+](C[C@H](O)c1ccc(C#N)cc1)CC2 ZINC000852404905 634739155 /nfs/dbraw/zinc/73/91/55/634739155.db2.gz VRURLBPSAPURDN-IBGZPJMESA-N 1 1 292.382 2.958 20 30 CFEDMO C[C@@]1(C=[NH+]n2cc(Br)cn2)CCCS1 ZINC000793035598 629478506 /nfs/dbraw/zinc/47/85/06/629478506.db2.gz YJBAWLAHHNPBHB-VIFPVBQESA-N 1 1 274.187 2.765 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCCCC[C@H]2CCO)cc1 ZINC000793610672 629578050 /nfs/dbraw/zinc/57/80/50/629578050.db2.gz VVUUIXXMWISVSQ-KRWDZBQOSA-N 1 1 287.403 2.826 20 30 CFEDMO CC(C)(C)OC(=O)N1CC([N@@H+](CCCC#N)C2CCC2)C1 ZINC000852446471 634748269 /nfs/dbraw/zinc/74/82/69/634748269.db2.gz HZYIMHHEABKCCZ-UHFFFAOYSA-N 1 1 293.411 2.764 20 30 CFEDMO CC#CCCCCOC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000835310725 629614715 /nfs/dbraw/zinc/61/47/15/629614715.db2.gz LROIJSTYTYJZGO-UHFFFAOYSA-N 1 1 283.331 2.618 20 30 CFEDMO CN1CCc2cc(C=[NH+]NCCC(F)(F)F)ccc21 ZINC000794552211 629660684 /nfs/dbraw/zinc/66/06/84/629660684.db2.gz LIWQLRMLDZXLTH-UHFFFAOYSA-N 1 1 271.286 2.555 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000794578698 629664355 /nfs/dbraw/zinc/66/43/55/629664355.db2.gz IJEDJLOWMPGJFS-ZDUSSCGKSA-N 1 1 251.757 2.717 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000794578881 629664371 /nfs/dbraw/zinc/66/43/71/629664371.db2.gz MFEYYGOBYNYRBJ-CYBMUJFWSA-N 1 1 269.747 2.856 20 30 CFEDMO C=CC[N@@H+](CCC#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000794733482 629681255 /nfs/dbraw/zinc/68/12/55/629681255.db2.gz FIESMTHBEOUEHQ-AWEZNQCLSA-N 1 1 293.411 2.645 20 30 CFEDMO C=CC[N@H+](CCC#N)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000794733482 629681257 /nfs/dbraw/zinc/68/12/57/629681257.db2.gz FIESMTHBEOUEHQ-AWEZNQCLSA-N 1 1 293.411 2.645 20 30 CFEDMO COCC[N@H+](CCF)Cc1ccc(C(C)(C)C#N)cc1 ZINC000852481264 634756511 /nfs/dbraw/zinc/75/65/11/634756511.db2.gz KJKXFKZFORHAOG-UHFFFAOYSA-N 1 1 278.371 2.906 20 30 CFEDMO COCC[N@@H+](CCF)Cc1ccc(C(C)(C)C#N)cc1 ZINC000852481264 634756514 /nfs/dbraw/zinc/75/65/14/634756514.db2.gz KJKXFKZFORHAOG-UHFFFAOYSA-N 1 1 278.371 2.906 20 30 CFEDMO C=CCN[NH+]=Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000795004232 629722099 /nfs/dbraw/zinc/72/20/99/629722099.db2.gz YVNXBAUKJVTUFQ-UHFFFAOYSA-N 1 1 271.286 2.881 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000852495683 634760734 /nfs/dbraw/zinc/76/07/34/634760734.db2.gz MLEWGITXACWMIY-KBPBESRZSA-N 1 1 252.402 2.557 20 30 CFEDMO C#CCC[N@@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000852514157 634768876 /nfs/dbraw/zinc/76/88/76/634768876.db2.gz BLWFAVHGIVTXQH-GFCCVEGCSA-N 1 1 272.175 2.982 20 30 CFEDMO C#CCC[N@H+](C)[C@H](CO)c1cccc(Cl)c1Cl ZINC000852514157 634768879 /nfs/dbraw/zinc/76/88/79/634768879.db2.gz BLWFAVHGIVTXQH-GFCCVEGCSA-N 1 1 272.175 2.982 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccccc1 ZINC000796357516 629908531 /nfs/dbraw/zinc/90/85/31/629908531.db2.gz OIJHLZJDHYKOJK-SFHVURJKSA-N 1 1 265.356 2.855 20 30 CFEDMO C=C(C)C[N@@H+](CCC(=O)CC)Cc1ccc(CO)o1 ZINC000796383321 629911795 /nfs/dbraw/zinc/91/17/95/629911795.db2.gz OBPOGTYIJZLGSK-UHFFFAOYSA-N 1 1 265.353 2.519 20 30 CFEDMO C=C(C)C[N@H+](CCC(=O)CC)Cc1ccc(CO)o1 ZINC000796383321 629911797 /nfs/dbraw/zinc/91/17/97/629911797.db2.gz OBPOGTYIJZLGSK-UHFFFAOYSA-N 1 1 265.353 2.519 20 30 CFEDMO CCCCCCCC[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000796575815 629936962 /nfs/dbraw/zinc/93/69/62/629936962.db2.gz QQFFUTVOLNXCOB-CABCVRRESA-N 1 1 257.418 2.819 20 30 CFEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](c2ccc(CC)cc2)C1 ZINC000796583245 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Cc1cc(C#N)ccc1C(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810836769 631452514 /nfs/dbraw/zinc/45/25/14/631452514.db2.gz ICYKNKUGQXOBJY-CABCVRRESA-N 1 1 284.359 2.650 20 30 CFEDMO CCCCCCCCC(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104595286 631498954 /nfs/dbraw/zinc/49/89/54/631498954.db2.gz FHJDKBUDHMLYMU-JKSUJKDBSA-N 1 1 298.471 2.962 20 30 CFEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1COc1cccnc1C ZINC000842172669 631560959 /nfs/dbraw/zinc/56/09/59/631560959.db2.gz VTSLBYBNZXJLCP-CYBMUJFWSA-N 1 1 266.772 2.986 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1COc1cccnc1C ZINC000842172669 631560962 /nfs/dbraw/zinc/56/09/62/631560962.db2.gz VTSLBYBNZXJLCP-CYBMUJFWSA-N 1 1 266.772 2.986 20 30 CFEDMO Cc1ccc(N=NC2CC[N@@H+](Cc3ccccc3)[C@H]2C)nn1 ZINC000811641440 631590809 /nfs/dbraw/zinc/59/08/09/631590809.db2.gz CMFWARNLUPYLBB-AWEZNQCLSA-N 1 1 295.390 2.847 20 30 CFEDMO C[C@@H]1C(=NNCC(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000811647557 631591472 /nfs/dbraw/zinc/59/14/72/631591472.db2.gz QXUOHJCZNSOSED-LLVKDONJSA-N 1 1 285.313 2.789 20 30 CFEDMO C[C@@H]1C(=NNCC(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000811647557 631591481 /nfs/dbraw/zinc/59/14/81/631591481.db2.gz QXUOHJCZNSOSED-LLVKDONJSA-N 1 1 285.313 2.789 20 30 CFEDMO C[C@@H]1C(N=Nc2cncnc2)CC[N@H+]1Cc1ccccc1 ZINC000811647819 631592797 /nfs/dbraw/zinc/59/27/97/631592797.db2.gz CHGQPLAQPWCWIT-CYBMUJFWSA-N 1 1 281.363 2.539 20 30 CFEDMO CC(=O)c1ccc(C#N)cc1N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000811811472 631626466 /nfs/dbraw/zinc/62/64/66/631626466.db2.gz CHUMRKLNIWCCBF-SMDDNHRTSA-N 1 1 283.375 2.798 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cn2nc(C(F)(F)F)cc2C)C1 ZINC000842629406 631658025 /nfs/dbraw/zinc/65/80/25/631658025.db2.gz MEFNXQPXMOGBSN-LBPRGKRZSA-N 1 1 285.313 2.903 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cn2nc(C(F)(F)F)cc2C)C1 ZINC000842629406 631658027 /nfs/dbraw/zinc/65/80/27/631658027.db2.gz MEFNXQPXMOGBSN-LBPRGKRZSA-N 1 1 285.313 2.903 20 30 CFEDMO C#CCON=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000812234870 631673471 /nfs/dbraw/zinc/67/34/71/631673471.db2.gz ZRRIXLNDBOCOOM-UHFFFAOYSA-N 1 1 258.365 2.780 20 30 CFEDMO CCN(CC)c1ncc(C=[NH+]OCCOC(C)C)s1 ZINC000812239887 631676913 /nfs/dbraw/zinc/67/69/13/631676913.db2.gz CWYTWOJFCHXZIK-UHFFFAOYSA-N 1 1 285.413 2.765 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+](CC)C[C@H](C)OC)c1O ZINC000812304722 631687951 /nfs/dbraw/zinc/68/79/51/631687951.db2.gz ZEZAWAFCRTZQEM-ZDUSSCGKSA-N 1 1 293.407 2.986 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+](CC)C[C@@H](C)OC)c1O ZINC000812304721 631688115 /nfs/dbraw/zinc/68/81/15/631688115.db2.gz ZEZAWAFCRTZQEM-CYBMUJFWSA-N 1 1 293.407 2.986 20 30 CFEDMO N#CC1(CONC(=[NH2+])c2ccc(F)cc2F)CCC1 ZINC000842651841 631692929 /nfs/dbraw/zinc/69/29/29/631692929.db2.gz HDWWKSAAEJUGMC-UHFFFAOYSA-N 1 1 265.263 2.505 20 30 CFEDMO C#C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000812792720 631780148 /nfs/dbraw/zinc/78/01/48/631780148.db2.gz GAYPJVGTNBRSAZ-BBWFWOEESA-N 1 1 272.367 2.716 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000812842702 631795339 /nfs/dbraw/zinc/79/53/39/631795339.db2.gz PSOLKCMXNMSHBJ-HMDCTGQHSA-N 1 1 294.439 2.567 20 30 CFEDMO C#CC[N@@H+](C)CCc1cccc(Br)c1 ZINC000812906036 631804848 /nfs/dbraw/zinc/80/48/48/631804848.db2.gz PNDOAKGTAQNGAD-UHFFFAOYSA-N 1 1 252.155 2.557 20 30 CFEDMO C[N@@H+](CCCOC(=O)CCCC#N)Cc1ccccc1 ZINC000813076049 631826330 /nfs/dbraw/zinc/82/63/30/631826330.db2.gz JOMGSSXRVMAQBF-UHFFFAOYSA-N 1 1 274.364 2.746 20 30 CFEDMO C#C[C@H](C)[NH2+]Cc1cc(Br)cnc1Cl ZINC000843409669 631946443 /nfs/dbraw/zinc/94/64/43/631946443.db2.gz ULABCUSNYPYHDR-ZETCQYMHSA-N 1 1 273.561 2.609 20 30 CFEDMO C#C[C@@H](CC)[NH2+]Cc1cc(Br)cnc1Cl ZINC000843409145 631946922 /nfs/dbraw/zinc/94/69/22/631946922.db2.gz PJHXVCMNQQBSHA-JTQLQIEISA-N 1 1 287.588 2.999 20 30 CFEDMO CC(C)(CCC#N)C[N@@H+]1CCc2cc(Cl)nnc2C1 ZINC000843417741 631949145 /nfs/dbraw/zinc/94/91/45/631949145.db2.gz BKHKGYBTAZJDSJ-UHFFFAOYSA-N 1 1 278.787 2.818 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CCc2cc(Cl)nnc2C1 ZINC000843417741 631949147 /nfs/dbraw/zinc/94/91/47/631949147.db2.gz BKHKGYBTAZJDSJ-UHFFFAOYSA-N 1 1 278.787 2.818 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)s1)C[C@]1(O)CCc2ccccc21 ZINC000843420265 631950085 /nfs/dbraw/zinc/95/00/85/631950085.db2.gz AIRQXOKVHARUTI-QGZVFWFLSA-N 1 1 298.411 2.886 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000843423340 631952126 /nfs/dbraw/zinc/95/21/26/631952126.db2.gz MJSAQZHXPZMWMU-LBPRGKRZSA-N 1 1 265.788 2.617 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000843423340 631952134 /nfs/dbraw/zinc/95/21/34/631952134.db2.gz MJSAQZHXPZMWMU-LBPRGKRZSA-N 1 1 265.788 2.617 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000843423258 631952543 /nfs/dbraw/zinc/95/25/43/631952543.db2.gz BEUCPBSEJYXTAG-INIZCTEOSA-N 1 1 287.403 2.947 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000843424543 631953255 /nfs/dbraw/zinc/95/32/55/631953255.db2.gz VVEKGLJGUFFAAG-CYBMUJFWSA-N 1 1 259.397 2.943 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2[nH]nc3ccccc32)C1 ZINC000843424361 631953561 /nfs/dbraw/zinc/95/35/61/631953561.db2.gz SRXQTUPKKFZXHH-CYBMUJFWSA-N 1 1 253.349 2.798 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000843424361 631953564 /nfs/dbraw/zinc/95/35/64/631953564.db2.gz SRXQTUPKKFZXHH-CYBMUJFWSA-N 1 1 253.349 2.798 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000843424361 631953567 /nfs/dbraw/zinc/95/35/67/631953567.db2.gz SRXQTUPKKFZXHH-CYBMUJFWSA-N 1 1 253.349 2.798 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000843424233 631953662 /nfs/dbraw/zinc/95/36/62/631953662.db2.gz QVJXIXVFEFYLBF-CQSZACIVSA-N 1 1 255.361 2.857 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000843428321 631955305 /nfs/dbraw/zinc/95/53/05/631955305.db2.gz GORSNNIZJDZHGK-KRWDZBQOSA-N 1 1 255.361 2.669 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000843435136 631959672 /nfs/dbraw/zinc/95/96/72/631959672.db2.gz IJMKYCFFYXCLKO-OAHLLOKOSA-N 1 1 285.387 2.842 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000843435136 631959677 /nfs/dbraw/zinc/95/96/77/631959677.db2.gz IJMKYCFFYXCLKO-OAHLLOKOSA-N 1 1 285.387 2.842 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001010347991 651173253 /nfs/dbraw/zinc/17/32/53/651173253.db2.gz MXKGAZFKPBIRQW-HNNXBMFYSA-N 1 1 262.397 2.644 20 30 CFEDMO C#CCCCCC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000814161699 632019331 /nfs/dbraw/zinc/01/93/31/632019331.db2.gz WBRBFSKVORZDPH-HNNXBMFYSA-N 1 1 276.424 2.513 20 30 CFEDMO C#CCCCCCC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000814161792 632019818 /nfs/dbraw/zinc/01/98/18/632019818.db2.gz XXDYBOVBWFFWBX-INIZCTEOSA-N 1 1 290.451 2.903 20 30 CFEDMO C#C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)C(C)(C)C ZINC000843888505 632071615 /nfs/dbraw/zinc/07/16/15/632071615.db2.gz UKZBRPLHUAYKPK-STQMWFEESA-N 1 1 275.396 2.561 20 30 CFEDMO C#C[C@H](NC(=O)C[C@@H](C)n1cc[nH+]c1CC)C(C)(C)C ZINC000843888502 632071724 /nfs/dbraw/zinc/07/17/24/632071724.db2.gz UKZBRPLHUAYKPK-OLZOCXBDSA-N 1 1 275.396 2.561 20 30 CFEDMO Nc1ccc2c(c1)C(=[NH+]OCc1cccnc1)CCC2 ZINC000814884394 632148264 /nfs/dbraw/zinc/14/82/64/632148264.db2.gz WEUWKXKPBRMNLV-UHFFFAOYSA-N 1 1 267.332 2.921 20 30 CFEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844268174 632149897 /nfs/dbraw/zinc/14/98/97/632149897.db2.gz NXXGTCNMKANSCR-CYBMUJFWSA-N 1 1 292.404 2.719 20 30 CFEDMO C=CC[N@H+](Cc1cccs1)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844268174 632149901 /nfs/dbraw/zinc/14/99/01/632149901.db2.gz NXXGTCNMKANSCR-CYBMUJFWSA-N 1 1 292.404 2.719 20 30 CFEDMO C[C@H](CNCc1ccc(O[C@@H](C)C#N)cc1)[N@H+](C)C1CC1 ZINC000105487795 632166730 /nfs/dbraw/zinc/16/67/30/632166730.db2.gz WPWUACRDXXGFAQ-KGLIPLIRSA-N 1 1 287.407 2.550 20 30 CFEDMO C[C@H](CNCc1ccc(O[C@@H](C)C#N)cc1)[N@@H+](C)C1CC1 ZINC000105487795 632166732 /nfs/dbraw/zinc/16/67/32/632166732.db2.gz WPWUACRDXXGFAQ-KGLIPLIRSA-N 1 1 287.407 2.550 20 30 CFEDMO C#CC[N@H+](C)CCCNc1ccnc2cc(F)ccc21 ZINC000814928230 632169629 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C[N@@H+](CCCC(C)(C)C#N)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370833 632183208 /nfs/dbraw/zinc/18/32/08/632183208.db2.gz UJRNDWKIOHTFMJ-MRXNPFEDSA-N 1 1 285.391 2.853 20 30 CFEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@@H]1C=CCCC1 ZINC000844370488 632183399 /nfs/dbraw/zinc/18/33/99/632183399.db2.gz RPGFBTDKXPEFJB-HZPDHXFCSA-N 1 1 256.349 2.632 20 30 CFEDMO CC#CC[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844373615 632183462 /nfs/dbraw/zinc/18/34/62/632183462.db2.gz NNQLENWZHPPSOU-OAHLLOKOSA-N 1 1 263.768 2.647 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844376145 632184882 /nfs/dbraw/zinc/18/48/82/632184882.db2.gz RWEQMKIKXJMNFG-HOTGVXAUSA-N 1 1 295.810 2.560 20 30 CFEDMO C=CCOCC[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844381873 632187167 /nfs/dbraw/zinc/18/71/67/632187167.db2.gz TZXYIGJYHZSIAC-INIZCTEOSA-N 1 1 295.810 2.826 20 30 CFEDMO C#CCNC(=O)CC[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000815024191 632188512 /nfs/dbraw/zinc/18/85/12/632188512.db2.gz 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CC(C)CCC(N)=[NH+]OCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844763865 632301821 /nfs/dbraw/zinc/30/18/21/632301821.db2.gz QOIMGIQAQCBGFW-UHFFFAOYSA-N 1 1 290.323 2.901 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@@H]1CC(C)(C)Cc2occc21 ZINC000815651816 632305739 /nfs/dbraw/zinc/30/57/39/632305739.db2.gz DWZRMRDTXHYOFI-OAHLLOKOSA-N 1 1 274.408 2.838 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@@H]1CC(C)(C)Cc2occc21 ZINC000815651816 632305741 /nfs/dbraw/zinc/30/57/41/632305741.db2.gz DWZRMRDTXHYOFI-OAHLLOKOSA-N 1 1 274.408 2.838 20 30 CFEDMO C=CCC(F)(F)C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000815733450 632315834 /nfs/dbraw/zinc/31/58/34/632315834.db2.gz SYEYJLPINRJODU-UHFFFAOYSA-N 1 1 286.366 2.675 20 30 CFEDMO C=CCC(F)(F)C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000815733450 632315836 /nfs/dbraw/zinc/31/58/36/632315836.db2.gz SYEYJLPINRJODU-UHFFFAOYSA-N 1 1 286.366 2.675 20 30 CFEDMO CCc1ccc(C#CC(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)cc1 ZINC000815892291 632329553 /nfs/dbraw/zinc/32/95/53/632329553.db2.gz LWQADOFBEARHLO-JKSUJKDBSA-N 1 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ZINC000846005716 632612453 /nfs/dbraw/zinc/61/24/53/632612453.db2.gz BYXHPHBWPYKUGA-KRWDZBQOSA-N 1 1 298.390 2.501 20 30 CFEDMO CC(C)n1cncc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846005716 632612457 /nfs/dbraw/zinc/61/24/57/632612457.db2.gz BYXHPHBWPYKUGA-KRWDZBQOSA-N 1 1 298.390 2.501 20 30 CFEDMO CC(C)n1cc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)cn1 ZINC000846006022 632612497 /nfs/dbraw/zinc/61/24/97/632612497.db2.gz FZTGUNNMGKGXMX-QGZVFWFLSA-N 1 1 298.390 2.501 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1OC ZINC000846109481 632633304 /nfs/dbraw/zinc/63/33/04/632633304.db2.gz DXAQDSXDFKXICV-BETUJISGSA-N 1 1 295.329 2.957 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@H](C)CCO ZINC000846113069 632635991 /nfs/dbraw/zinc/63/59/91/632635991.db2.gz YTRJAIUAWZBMKF-GFCCVEGCSA-N 1 1 281.783 2.555 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)[C@H](C)CCO ZINC000846113069 632635998 /nfs/dbraw/zinc/63/59/98/632635998.db2.gz YTRJAIUAWZBMKF-GFCCVEGCSA-N 1 1 281.783 2.555 20 30 CFEDMO CC(C)(C)C#CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000846593100 632754660 /nfs/dbraw/zinc/75/46/60/632754660.db2.gz IHEQOOJVVFJWHM-LJQANCHMSA-N 1 1 298.430 2.817 20 30 CFEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+][C@@H](C)CN)cc1 ZINC000817969621 632768466 /nfs/dbraw/zinc/76/84/66/632768466.db2.gz FDGUINQHGNRQNG-NWDGAFQWSA-N 1 1 268.788 2.816 20 30 CFEDMO C#CCOc1ccc([C@H](C)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000817981502 632777817 /nfs/dbraw/zinc/77/78/17/632777817.db2.gz LFTHRZKXUVZERC-KBXCAEBGSA-N 1 1 286.419 2.867 20 30 CFEDMO C#CCOc1ccc([C@@H](C)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000817981558 632778136 /nfs/dbraw/zinc/77/81/36/632778136.db2.gz LFTHRZKXUVZERC-RDTXWAMCSA-N 1 1 286.419 2.867 20 30 CFEDMO Cc1cc(C#N)ccc1N1CC[NH+](Cc2cccnc2)CC1 ZINC000846745655 632781753 /nfs/dbraw/zinc/78/17/53/632781753.db2.gz MQRSUTAZXJIEPR-UHFFFAOYSA-N 1 1 292.386 2.584 20 30 CFEDMO Cc1cc(C#N)ccc1N1CC[NH+](Cc2ccncc2)CC1 ZINC000846745841 632782009 /nfs/dbraw/zinc/78/20/09/632782009.db2.gz QOWVFOGCTKVDLA-UHFFFAOYSA-N 1 1 292.386 2.584 20 30 CFEDMO CC[N@H+](Cc1ccc(C#N)cn1)C[C@@H](O)c1ccc(C)cc1 ZINC000846807365 632803248 /nfs/dbraw/zinc/80/32/48/632803248.db2.gz CJOYXEPTTBPOMN-GOSISDBHSA-N 1 1 295.386 2.817 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)nc1 ZINC000846816448 632808319 /nfs/dbraw/zinc/80/83/19/632808319.db2.gz WQXAWQLAMVOXIL-HOTGVXAUSA-N 1 1 297.358 2.634 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)nc1 ZINC000846816449 632808887 /nfs/dbraw/zinc/80/88/87/632808887.db2.gz WQXAWQLAMVOXIL-HZPDHXFCSA-N 1 1 297.358 2.634 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H](CC)c2ccc(N(C)C)cc2)nn1 ZINC000818347536 632836577 /nfs/dbraw/zinc/83/65/77/632836577.db2.gz SGDFHEIJRJBABQ-KRWDZBQOSA-N 1 1 299.422 2.771 20 30 CFEDMO CCOC(C[N@H+](CC)Cc1cc(C#N)ccc1F)OCC ZINC000846971853 632864373 /nfs/dbraw/zinc/86/43/73/632864373.db2.gz VSIZIOXVRZLSLI-UHFFFAOYSA-N 1 1 294.370 2.918 20 30 CFEDMO CCOC(C[N@@H+](CC)Cc1cc(C#N)ccc1F)OCC ZINC000846971853 632864376 /nfs/dbraw/zinc/86/43/76/632864376.db2.gz VSIZIOXVRZLSLI-UHFFFAOYSA-N 1 1 294.370 2.918 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000847019850 632884014 /nfs/dbraw/zinc/88/40/14/632884014.db2.gz SUHNLAIUBCPGJQ-MRXNPFEDSA-N 1 1 279.387 2.777 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000847019847 632884325 /nfs/dbraw/zinc/88/43/25/632884325.db2.gz SUHNLAIUBCPGJQ-INIZCTEOSA-N 1 1 279.387 2.777 20 30 CFEDMO C#C[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000847025517 632890302 /nfs/dbraw/zinc/89/03/02/632890302.db2.gz NUOMOUCBKJZMPI-DOTOQJQBSA-N 1 1 282.387 2.527 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000847025195 632890369 /nfs/dbraw/zinc/89/03/69/632890369.db2.gz NFWRLCZSWKXTKN-GFCCVEGCSA-N 1 1 275.323 2.579 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000847025280 632891451 /nfs/dbraw/zinc/89/14/51/632891451.db2.gz VQMUWVMGIRVYBP-ZDUSSCGKSA-N 1 1 259.349 2.549 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CCOc2ccccc2C(C)=O)C1 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C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CC)Cc2ccccc2)C1 ZINC000847034971 632898093 /nfs/dbraw/zinc/89/80/93/632898093.db2.gz XRQOSMSONKHZJD-DLBZAZTESA-N 1 1 298.430 2.769 20 30 CFEDMO C=CC[C@@H]([NH2+]Cc1cn(C)nc1Cl)c1ccncc1 ZINC000856770421 635853144 /nfs/dbraw/zinc/85/31/44/635853144.db2.gz JGVBNJHQLMJQLU-CYBMUJFWSA-N 1 1 276.771 2.876 20 30 CFEDMO C[C@H](CC#N)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000847090144 632917171 /nfs/dbraw/zinc/91/71/71/632917171.db2.gz HGJNUAJJKYRTKI-CRAIPNDOSA-N 1 1 299.418 2.565 20 30 CFEDMO C=CCOc1ccc(C[NH2+]Cc2cn(C)nc2Cl)cc1 ZINC000856787072 635860079 /nfs/dbraw/zinc/86/00/79/635860079.db2.gz LEHBFHCMVVDNDJ-UHFFFAOYSA-N 1 1 291.782 2.928 20 30 CFEDMO C=C(C)C(C)(C)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000819150883 632985503 /nfs/dbraw/zinc/98/55/03/632985503.db2.gz WKBSHZUIVVESAD-UHFFFAOYSA-N 1 1 298.390 2.794 20 30 CFEDMO C=C(Cl)CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000847509406 632994345 /nfs/dbraw/zinc/99/43/45/632994345.db2.gz DFNMIPWMXQUSLM-LBPRGKRZSA-N 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/nfs/dbraw/zinc/24/97/43/633249743.db2.gz HUBYDXIKIBMPNX-AWEZNQCLSA-N 1 1 296.484 2.501 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cn2cnc3cc(C)c(C)cc32)C1 ZINC000848492570 633266414 /nfs/dbraw/zinc/26/64/14/633266414.db2.gz FFHASXVQDODGTD-HNNXBMFYSA-N 1 1 267.376 2.956 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cn2cnc3cc(F)c(F)cc32)C1 ZINC000848494117 633267091 /nfs/dbraw/zinc/26/70/91/633267091.db2.gz VDWGSFLZKIVOMN-LLVKDONJSA-N 1 1 275.302 2.617 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cn2ccc(-c3ccccc3)n2)C1 ZINC000848494031 633267162 /nfs/dbraw/zinc/26/71/62/633267162.db2.gz SSKRHEMDOFABSM-HNNXBMFYSA-N 1 1 265.360 2.853 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](CN2C(=O)C(C)(C)[C@H]2c2ccccc2)C1 ZINC000848494721 633267339 /nfs/dbraw/zinc/26/73/39/633267339.db2.gz ZGRUINZLGZKIGC-NVXWUHKLSA-N 1 1 296.414 2.899 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CN2C(=O)C(C)(C)[C@H]2c2ccccc2)C1 ZINC000848494721 633267342 /nfs/dbraw/zinc/26/73/42/633267342.db2.gz ZGRUINZLGZKIGC-NVXWUHKLSA-N 1 1 296.414 2.899 20 30 CFEDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccc(C#N)cc1OC(F)F ZINC000848522676 633275807 /nfs/dbraw/zinc/27/58/07/633275807.db2.gz YNCDOEAVXQGQSD-KWQFWETISA-N 1 1 295.289 2.814 20 30 CFEDMO C#CCCCc1nc(CCCCn2c[nH+]c(C)c2C)no1 ZINC000848614788 633298585 /nfs/dbraw/zinc/29/85/85/633298585.db2.gz JWMCPTOLIMWDCT-UHFFFAOYSA-N 1 1 286.379 2.862 20 30 CFEDMO Cc1nc(Cc2noc([C@H]([NH3+])CCCCC#N)n2)cs1 ZINC000848617431 633298869 /nfs/dbraw/zinc/29/88/69/633298869.db2.gz HDGUHZTVQFEOGZ-LLVKDONJSA-N 1 1 291.380 2.509 20 30 CFEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc(O)cc2)no1 ZINC000848625542 633301846 /nfs/dbraw/zinc/30/18/46/633301846.db2.gz KRSXCOXSHZSZPG-GFCCVEGCSA-N 1 1 272.308 2.526 20 30 CFEDMO Cc1csc(-c2noc([C@H]([NH3+])CCCCC#N)n2)n1 ZINC000848624210 633302407 /nfs/dbraw/zinc/30/24/07/633302407.db2.gz RYCMIQUIJRGLET-SECBINFHSA-N 1 1 277.353 2.585 20 30 CFEDMO Cc1occc1-c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848632969 633304997 /nfs/dbraw/zinc/30/49/97/633304997.db2.gz YFPSDLHGAHCUCI-NSHDSACASA-N 1 1 260.297 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PLIOVMSHGJKFON-CYBMUJFWSA-N 1 1 289.375 2.558 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000848924372 633407408 /nfs/dbraw/zinc/40/74/08/633407408.db2.gz QXQOACJLQWIZMN-AWEZNQCLSA-N 1 1 283.350 2.857 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OCOCC)cc2)C1 ZINC000848924267 633408073 /nfs/dbraw/zinc/40/80/73/633408073.db2.gz OXSLUQYZSOGTRE-HNNXBMFYSA-N 1 1 273.376 2.905 20 30 CFEDMO C[NH+](C)Cc1cnc(CN2Cc3ccc(C#N)cc3C2)s1 ZINC000848926227 633409707 /nfs/dbraw/zinc/40/97/07/633409707.db2.gz SLMRLUHFIVUHPH-UHFFFAOYSA-N 1 1 298.415 2.592 20 30 CFEDMO N#CCC[NH+]=C(Nc1ccccc1)N1CCCCC1 ZINC000849023348 633465153 /nfs/dbraw/zinc/46/51/53/633465153.db2.gz MFOWMSOENRDABO-UHFFFAOYSA-N 1 1 256.353 2.854 20 30 CFEDMO N#CCC1C[NH+](C[C@H](O)c2cccc(C(F)(F)F)c2)C1 ZINC000849326618 633618578 /nfs/dbraw/zinc/61/85/78/633618578.db2.gz IWNHRZRDKJAHCD-ZDUSSCGKSA-N 1 1 284.281 2.584 20 30 CFEDMO N#CCC1C[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000849326766 633618974 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C#CC[C@H](Cc1ccccc1)Nc1cc(CO)cc(C)[nH+]1 ZINC000853613811 635049755 /nfs/dbraw/zinc/04/97/55/635049755.db2.gz CUZZOIWPLLOEEP-QGZVFWFLSA-N 1 1 280.371 2.929 20 30 CFEDMO C[N@H+](C[C@@H]1CC1(C)C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000853628317 635052677 /nfs/dbraw/zinc/05/26/77/635052677.db2.gz RVQWTDOAROVGBT-AWEZNQCLSA-N 1 1 299.418 2.534 20 30 CFEDMO C[N@@H+](C[C@@H]1CC1(C)C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000853628317 635052682 /nfs/dbraw/zinc/05/26/82/635052682.db2.gz RVQWTDOAROVGBT-AWEZNQCLSA-N 1 1 299.418 2.534 20 30 CFEDMO CC(C)Oc1ccccc1C=NOCCc1c[nH+]cn1C ZINC000853640807 635057083 /nfs/dbraw/zinc/05/70/83/635057083.db2.gz QHZREEBHIYOBRN-UHFFFAOYSA-N 1 1 287.363 2.801 20 30 CFEDMO CC(C)(C)c1nc(CO[NH+]=C(N)C2CCOCC2)cs1 ZINC000112087552 635280876 /nfs/dbraw/zinc/28/08/76/635280876.db2.gz UTCSNEQSQCEEHC-UHFFFAOYSA-N 1 1 297.424 2.656 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)/C=C\c1ccccc1C#N ZINC000855167011 635474999 /nfs/dbraw/zinc/47/49/99/635474999.db2.gz VTIPGQUHXDEBSA-QWGSZXSUSA-N 1 1 297.402 2.560 20 30 CFEDMO O=C(C#Cc1ccccc1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000855809300 635657936 /nfs/dbraw/zinc/65/79/36/635657936.db2.gz BLSAJVUBCDDBPQ-KRWDZBQOSA-N 1 1 296.414 2.561 20 30 CFEDMO CCC[N@@H+](C)CC(C)(C)NC(=O)/C=C/c1ccccc1C#N ZINC000856283313 635775867 /nfs/dbraw/zinc/77/58/67/635775867.db2.gz VEPHIMDPTDNMEQ-ZHACJKMWSA-N 1 1 299.418 2.808 20 30 CFEDMO C#CCNC(=O)C[N@@H+](Cc1cccc(Cl)c1)CC(C)C ZINC000856812329 635868186 /nfs/dbraw/zinc/86/81/86/635868186.db2.gz UZDHMJFRGDFXFM-UHFFFAOYSA-N 1 1 292.810 2.547 20 30 CFEDMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)[C@@H](C)CC#N ZINC000857574087 635986301 /nfs/dbraw/zinc/98/63/01/635986301.db2.gz YXISHEHUPQAHCJ-QRTARXTBSA-N 1 1 297.402 2.679 20 30 CFEDMO C#Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000857832718 636028276 /nfs/dbraw/zinc/02/82/76/636028276.db2.gz FHSDAWLZUCAOSM-UHFFFAOYSA-N 1 1 278.355 2.562 20 30 CFEDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cc(C#N)cs3)C2)nc1 ZINC000858012176 636115018 /nfs/dbraw/zinc/11/50/18/636115018.db2.gz DPDCSXGEDGXODJ-AWEZNQCLSA-N 1 1 299.399 2.977 20 30 CFEDMO CCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000858109802 636128488 /nfs/dbraw/zinc/12/84/88/636128488.db2.gz AJBZGTFLUSPIGL-GJZGRUSLSA-N 1 1 281.444 2.883 20 30 CFEDMO C#CC[C@@H](COC)[NH2+]Cc1csc(-c2ccsc2)n1 ZINC000858335638 636195566 /nfs/dbraw/zinc/19/55/66/636195566.db2.gz BGFOMAHQCHMXCX-LBPRGKRZSA-N 1 1 292.429 3.000 20 30 CFEDMO C#CC[N@H+](CCC(=O)NCCCC)Cc1ccc(F)cc1 ZINC000116274281 636324595 /nfs/dbraw/zinc/32/45/95/636324595.db2.gz RIPSPLNXXWGNSE-UHFFFAOYSA-N 1 1 290.382 2.567 20 30 CFEDMO C=CC[N@H+](CCC1CN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000859225824 636513642 /nfs/dbraw/zinc/51/36/42/636513642.db2.gz LKBKGUPHYIXBIP-UHFFFAOYSA-N 1 1 280.412 2.894 20 30 CFEDMO C=C(C)CC[N@@H+](C)c1ccc(N2CCOCC2)cc1 ZINC000859384282 636555736 /nfs/dbraw/zinc/55/57/36/636555736.db2.gz CBOYAKSQHJLRJK-UHFFFAOYSA-N 1 1 260.381 2.926 20 30 CFEDMO C=C(C)CC[N@H+](C)c1ccc(N2CCOCC2)cc1 ZINC000859384282 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20 30 CFEDMO C=CCOCCCC(=O)O[C@H](C)C[C@@H]1CCCC[N@H+]1C ZINC000870786369 641069217 /nfs/dbraw/zinc/06/92/17/641069217.db2.gz BSXFFPCLRLCXNC-CABCVRRESA-N 1 1 283.412 2.775 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C(F)F ZINC001017923138 651262214 /nfs/dbraw/zinc/26/22/14/651262214.db2.gz URPOTGPJGZQVPZ-TXEJJXNPSA-N 1 1 286.366 2.529 20 30 CFEDMO N#CC1(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CCC1 ZINC000888572333 641316370 /nfs/dbraw/zinc/31/63/70/641316370.db2.gz NFBKNJUTORFQFR-UHFFFAOYSA-N 1 1 284.363 2.704 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888574938 641322176 /nfs/dbraw/zinc/32/21/76/641322176.db2.gz VVTPFMKAHNCQMU-INIZCTEOSA-N 1 1 286.379 2.950 20 30 CFEDMO N#C[C@H](C(=O)Cn1cc[nH+]c1C1CC1)c1ccccc1 ZINC000871679561 641399980 /nfs/dbraw/zinc/39/99/80/641399980.db2.gz NCYZOPFYMJAGMN-AWEZNQCLSA-N 1 1 265.316 2.637 20 30 CFEDMO N#CCC[C@@H](C#N)CNC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000871921388 641512693 /nfs/dbraw/zinc/51/26/93/641512693.db2.gz KPJWGXRPGLQCSS-DOTOQJQBSA-N 1 1 288.439 2.817 20 30 CFEDMO CC(C)[N@@H+](C)C[C@@H](O)COc1c(C#N)ccc2ccccc21 ZINC000871994471 641545018 /nfs/dbraw/zinc/54/50/18/641545018.db2.gz UMBURTCXPVLLHL-MRXNPFEDSA-N 1 1 298.386 2.791 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(CCc2ccco2)no1 ZINC000872174753 641693037 /nfs/dbraw/zinc/69/30/37/641693037.db2.gz GJZVZTNFOKVDRL-SNVBAGLBSA-N 1 1 267.716 2.590 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ncccc2C)no1 ZINC000872173752 641693520 /nfs/dbraw/zinc/69/35/20/641693520.db2.gz UMTCGJLZCPKNSN-VIFPVBQESA-N 1 1 264.716 2.582 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@@H]2CCCS2)no1 ZINC000872175721 641694151 /nfs/dbraw/zinc/69/41/51/641694151.db2.gz OBLYOJCOZDHLOD-SFYZADRCSA-N 1 1 259.762 2.780 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2csc(CC)n2)no1 ZINC000872176956 641694776 /nfs/dbraw/zinc/69/47/76/641694776.db2.gz WXGLQTZZBKTQGL-VIFPVBQESA-N 1 1 298.799 2.822 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cc(C)nc(OC)c2)no1 ZINC000872181287 641695459 /nfs/dbraw/zinc/69/54/59/641695459.db2.gz GNHPCTDNUMNUCZ-SNVBAGLBSA-N 1 1 294.742 2.591 20 30 CFEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc2cnccc2o1 ZINC000872240434 641713430 /nfs/dbraw/zinc/71/34/30/641713430.db2.gz QIGVOUKFSXJDCJ-VXGBXAGGSA-N 1 1 268.320 2.922 20 30 CFEDMO N#CCC[NH2+]CCN(Cc1ccccc1)c1ccccn1 ZINC000872247997 641715850 /nfs/dbraw/zinc/71/58/50/641715850.db2.gz XHLJYQWLOZXXJD-UHFFFAOYSA-N 1 1 280.375 2.591 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000872256432 641720165 /nfs/dbraw/zinc/72/01/65/641720165.db2.gz TTXRZZNLOCGJLN-HNNXBMFYSA-N 1 1 295.329 2.555 20 30 CFEDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2ccc(C#N)cc2)[C@@H]1O ZINC000872255307 641721227 /nfs/dbraw/zinc/72/12/27/641721227.db2.gz AZQSKMHMWAJOPR-XHSDSOJGSA-N 1 1 270.376 2.540 20 30 CFEDMO C[C@@H]1C(N=Nc2nc3ccccc3s2)CC[N@@H+]1C ZINC000872325167 641756071 /nfs/dbraw/zinc/75/60/71/641756071.db2.gz FPZKRDHMGRGJSA-SECBINFHSA-N 1 1 260.366 2.788 20 30 CFEDMO C[C@@H]1C(N=Nc2nc3ccccc3s2)CC[N@H+]1C ZINC000872325167 641756074 /nfs/dbraw/zinc/75/60/74/641756074.db2.gz FPZKRDHMGRGJSA-SECBINFHSA-N 1 1 260.366 2.788 20 30 CFEDMO C[NH+]1CCN(N=Cc2c[nH]c3c2cc(Cl)cc3F)CC1 ZINC000872325133 641756615 /nfs/dbraw/zinc/75/66/15/641756615.db2.gz DHOVMHWPOCCPDM-UHFFFAOYSA-N 1 1 294.761 2.542 20 30 CFEDMO C[C@H]1C(N=Nc2ccc3ccccc3n2)CC[N@H+]1C ZINC000872328651 641757164 /nfs/dbraw/zinc/75/71/64/641757164.db2.gz WZKNGJHDEKUDKK-NSHDSACASA-N 1 1 254.337 2.727 20 30 CFEDMO Brc1cnn([NH+]=C2CCOC3(CCCC3)C2)c1 ZINC000872359361 641767079 /nfs/dbraw/zinc/76/70/79/641767079.db2.gz BFHQHOCLDLPWOU-UHFFFAOYSA-N 1 1 298.184 2.973 20 30 CFEDMO C[C@H]1C(N=Nc2ccnc(C(F)(F)F)c2)CC[N@H+]1C ZINC000872394701 641790293 /nfs/dbraw/zinc/79/02/93/641790293.db2.gz YYHLPRDTHLEAQI-QMMMGPOBSA-N 1 1 272.274 2.592 20 30 CFEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NN2CCC2)c1C ZINC000872396261 641791437 /nfs/dbraw/zinc/79/14/37/641791437.db2.gz ZIPCCRLMSJWBAG-QGZVFWFLSA-N 1 1 288.439 2.629 20 30 CFEDMO CCC[C@H](C)C=[NH+]n1c(SC)nnc1SC ZINC000872417697 641803616 /nfs/dbraw/zinc/80/36/16/641803616.db2.gz KUHPNWHXFZTJSC-QMMMGPOBSA-N 1 1 258.416 2.992 20 30 CFEDMO C=CC[N@H+](CN1C[C@H](Cc2ccccc2)CC1=O)C1CC1 ZINC000872594901 641869654 /nfs/dbraw/zinc/86/96/54/641869654.db2.gz AQRXGNCFAOXPPE-MRXNPFEDSA-N 1 1 284.403 2.686 20 30 CFEDMO C=CC[N@@H+](CN1C[C@H](Cc2ccccc2)CC1=O)C1CC1 ZINC000872594901 641869657 /nfs/dbraw/zinc/86/96/57/641869657.db2.gz AQRXGNCFAOXPPE-MRXNPFEDSA-N 1 1 284.403 2.686 20 30 CFEDMO COc1cc(C)cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c1O ZINC000872682358 641895094 /nfs/dbraw/zinc/89/50/94/641895094.db2.gz PAJYFBGTEKPWEU-JSGCOSHPSA-N 1 1 274.364 2.833 20 30 CFEDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1cc(C#N)nc2ccccc21 ZINC000872778460 641932257 /nfs/dbraw/zinc/93/22/57/641932257.db2.gz AMDCXYMJAIERLQ-IRXDYDNUSA-N 1 1 292.386 2.779 20 30 CFEDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc2cc(C#N)ccc2n1 ZINC000872779382 641933765 /nfs/dbraw/zinc/93/37/65/641933765.db2.gz GKHDKKZVQXVECB-IAGOWNOFSA-N 1 1 292.386 2.779 20 30 CFEDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2c1ncc(C#N)c2ccsc21 ZINC000872780355 641934417 /nfs/dbraw/zinc/93/44/17/641934417.db2.gz YNRYGCIXMDRYND-KBPBESRZSA-N 1 1 298.415 2.841 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000872929518 641965960 /nfs/dbraw/zinc/96/59/60/641965960.db2.gz BKWGOSJDYKWPQG-KBPBESRZSA-N 1 1 281.444 2.761 20 30 CFEDMO Cc1cc(C[NH2+][C@@H](C)c2nccnc2C)ccc1C#N ZINC000873187512 642055652 /nfs/dbraw/zinc/05/56/52/642055652.db2.gz UXIKAIACPHRKTD-ZDUSSCGKSA-N 1 1 266.348 2.816 20 30 CFEDMO C[C@@H](NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(C#N)cc1 ZINC000873294456 642125873 /nfs/dbraw/zinc/12/58/73/642125873.db2.gz SUFMCFDIPVNRAH-KUHUBIRLSA-N 1 1 291.398 2.923 20 30 CFEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)CCc1ccncc1 ZINC000194824606 650729377 /nfs/dbraw/zinc/72/93/77/650729377.db2.gz FNYZBMCNCAZWTR-UHFFFAOYSA-N 1 1 295.386 2.897 20 30 CFEDMO C=C(C)COc1cccc(NC(=O)C[NH+]2CCCC2)c1 ZINC000874314577 642365773 /nfs/dbraw/zinc/36/57/73/642365773.db2.gz BPKLWJUGRIXHJE-UHFFFAOYSA-N 1 1 274.364 2.676 20 30 CFEDMO CCCCCCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000875765799 642685118 /nfs/dbraw/zinc/68/51/18/642685118.db2.gz ZQOYYXWHRDCHOO-OAHLLOKOSA-N 1 1 283.460 2.940 20 30 CFEDMO C=CCN(C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)C(C)C ZINC000875799623 642692339 /nfs/dbraw/zinc/69/23/39/642692339.db2.gz RRJXNEVMCIGOTH-MRXNPFEDSA-N 1 1 293.455 2.999 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000876320168 642822160 /nfs/dbraw/zinc/82/21/60/642822160.db2.gz CMUYZVJOCBXTOZ-UHFFFAOYSA-N 1 1 281.444 2.714 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000876564460 642925406 /nfs/dbraw/zinc/92/54/06/642925406.db2.gz LAZGYZABKHCMQB-CHWSQXEVSA-N 1 1 281.400 2.525 20 30 CFEDMO C[C@H](C#N)C[N@H+](C)CC1(CNC(=O)OC(C)(C)C)CCC1 ZINC000876617222 642946652 /nfs/dbraw/zinc/94/66/52/642946652.db2.gz HSKRCRISJGZNBU-CYBMUJFWSA-N 1 1 295.427 2.773 20 30 CFEDMO C[C@H](C#N)C[N@@H+](C)CC1(CNC(=O)OC(C)(C)C)CCC1 ZINC000876617222 642946655 /nfs/dbraw/zinc/94/66/55/642946655.db2.gz HSKRCRISJGZNBU-CYBMUJFWSA-N 1 1 295.427 2.773 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCCN(C(=O)CC)CC1 ZINC000876624132 642949530 /nfs/dbraw/zinc/94/95/30/642949530.db2.gz HIYHLTKXTKDKGO-UHFFFAOYSA-N 1 1 264.413 2.514 20 30 CFEDMO C[N@@H+](CCc1ccccc1F)Cc1cccc(C#N)n1 ZINC000876633082 642951256 /nfs/dbraw/zinc/95/12/56/642951256.db2.gz MSMXYCUAARBBEM-UHFFFAOYSA-N 1 1 269.323 2.767 20 30 CFEDMO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)CC(C)(C)O1 ZINC000876636640 642952414 /nfs/dbraw/zinc/95/24/14/642952414.db2.gz JPWCAGWNURVNMQ-ZDUSSCGKSA-N 1 1 287.407 2.624 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)CC(C)(C)O1 ZINC000876636640 642952418 /nfs/dbraw/zinc/95/24/18/642952418.db2.gz JPWCAGWNURVNMQ-ZDUSSCGKSA-N 1 1 287.407 2.624 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCC[C@@H](C(=O)NCCC)C1 ZINC000876657007 642961087 /nfs/dbraw/zinc/96/10/87/642961087.db2.gz BGAUHGYTMZSLCH-MRXNPFEDSA-N 1 1 278.440 2.808 20 30 CFEDMO CC(C)(C)Oc1cccc(C[NH+]2CCN(CC#N)CC2)c1 ZINC000876677582 642969440 /nfs/dbraw/zinc/96/94/40/642969440.db2.gz RTKSEQVTRKPLPJ-UHFFFAOYSA-N 1 1 287.407 2.505 20 30 CFEDMO C#CCCCCCC[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000876679985 642970401 /nfs/dbraw/zinc/97/04/01/642970401.db2.gz VPYJQZBBLDMFRE-HNNXBMFYSA-N 1 1 265.397 2.798 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000876741323 642989362 /nfs/dbraw/zinc/98/93/62/642989362.db2.gz SLKOJYDNZPSFJE-GFCCVEGCSA-N 1 1 273.336 2.893 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]1CC(=O)OC ZINC000876764669 642999956 /nfs/dbraw/zinc/99/99/56/642999956.db2.gz PUZMNDUBPMPXFM-CQSZACIVSA-N 1 1 251.370 2.598 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)n1 ZINC000876773559 643003296 /nfs/dbraw/zinc/00/32/96/643003296.db2.gz ABJDQTSAKCKLGW-QGZVFWFLSA-N 1 1 263.344 2.770 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000876782688 643007043 /nfs/dbraw/zinc/00/70/43/643007043.db2.gz YXMGYIMDPYJCLK-CQSZACIVSA-N 1 1 260.385 2.536 20 30 CFEDMO C#CCCCCCC[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000876797843 643013516 /nfs/dbraw/zinc/01/35/16/643013516.db2.gz BQBFEPICZAGXTO-GJZGRUSLSA-N 1 1 267.438 2.776 20 30 CFEDMO COc1ccc(CNC[C@H](C)[NH+]2CCCCC2)cc1C#N ZINC000087823822 650806100 /nfs/dbraw/zinc/80/61/00/650806100.db2.gz VFTBCYXDJTVAQX-AWEZNQCLSA-N 1 1 287.407 2.531 20 30 CFEDMO CC(C)[C@H]1CC[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC000876879164 643047640 /nfs/dbraw/zinc/04/76/40/643047640.db2.gz OGJSTMUGTUQBBP-OAHLLOKOSA-N 1 1 257.381 2.855 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000245507913 650818713 /nfs/dbraw/zinc/81/87/13/650818713.db2.gz QYSOIHYMAOPCMU-UKRRQHHQSA-N 1 1 274.364 2.588 20 30 CFEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877009459 643102747 /nfs/dbraw/zinc/10/27/47/643102747.db2.gz NABSXASRUMQXIT-UHFFFAOYSA-N 1 1 296.361 2.801 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000245507913 650818707 /nfs/dbraw/zinc/81/87/07/650818707.db2.gz QYSOIHYMAOPCMU-UKRRQHHQSA-N 1 1 274.364 2.588 20 30 CFEDMO N#CCCC[NH2+]Cc1nc(Cl)ccc1Br ZINC000877304017 643227500 /nfs/dbraw/zinc/22/75/00/643227500.db2.gz RMPJTAJVXUDMNL-UHFFFAOYSA-N 1 1 288.576 2.891 20 30 CFEDMO CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C[C@H]1CCCO1 ZINC000245554845 650823207 /nfs/dbraw/zinc/82/32/07/650823207.db2.gz HKGZCUXUQYXVST-RHSMWYFYSA-N 1 1 288.391 2.978 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000877349524 643247229 /nfs/dbraw/zinc/24/72/29/643247229.db2.gz KYLZJHFUTBSIQW-UHFFFAOYSA-N 1 1 299.418 2.627 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000877364365 643247589 /nfs/dbraw/zinc/24/75/89/643247589.db2.gz MHGSPJHMTMBING-MRXNPFEDSA-N 1 1 298.390 2.722 20 30 CFEDMO C#CC[N@H+](Cc1ccnc2c(C(=O)OC)cccc12)C1CC1 ZINC000877372247 643249267 /nfs/dbraw/zinc/24/92/67/643249267.db2.gz YZPCEIQXRFBLLC-UHFFFAOYSA-N 1 1 294.354 2.619 20 30 CFEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877464629 643284740 /nfs/dbraw/zinc/28/47/40/643284740.db2.gz NCCHJTIGCNBPTA-JTNHKYCSSA-N 1 1 293.798 2.588 20 30 CFEDMO 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ZINC000886358108 646985788 /nfs/dbraw/zinc/98/57/88/646985788.db2.gz POBVARGJYRTPGI-ZIAGYGMSSA-N 1 1 291.395 2.648 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2nc([C@@H](C)OCC(C)C)no2)C1 ZINC000886358108 646985790 /nfs/dbraw/zinc/98/57/90/646985790.db2.gz POBVARGJYRTPGI-ZIAGYGMSSA-N 1 1 291.395 2.648 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000886358676 646986238 /nfs/dbraw/zinc/98/62/38/646986238.db2.gz ZSHVRFGKFDSMSL-MRXNPFEDSA-N 1 1 295.386 2.700 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2nc(CCc3ccccc3)no2)C1 ZINC000886358676 646986239 /nfs/dbraw/zinc/98/62/39/646986239.db2.gz ZSHVRFGKFDSMSL-MRXNPFEDSA-N 1 1 295.386 2.700 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000886360313 646987012 /nfs/dbraw/zinc/98/70/12/646987012.db2.gz UIBWHKZHKJCNOX-DZGCQCFKSA-N 1 1 298.386 2.561 20 30 CFEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)C1 ZINC000886360313 646987014 /nfs/dbraw/zinc/98/70/14/646987014.db2.gz UIBWHKZHKJCNOX-DZGCQCFKSA-N 1 1 298.386 2.561 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000886365452 646988648 /nfs/dbraw/zinc/98/86/48/646988648.db2.gz IQLFMXMTYRDLGA-HNNXBMFYSA-N 1 1 277.371 2.989 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+]([C@@H](C)c2nnnn2C2CCCCC2)C1 ZINC000886364396 646988654 /nfs/dbraw/zinc/98/86/54/646988654.db2.gz YIZOBVUUVDZJNG-UONOGXRCSA-N 1 1 287.411 2.585 20 30 CFEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2nnnn2C2CCCCC2)C1 ZINC000886364396 646988657 /nfs/dbraw/zinc/98/86/57/646988657.db2.gz YIZOBVUUVDZJNG-UONOGXRCSA-N 1 1 287.411 2.585 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[C@H]2c2ccccc2)C1=O ZINC000886542976 647040172 /nfs/dbraw/zinc/04/01/72/647040172.db2.gz ISVXRXBJHMDTNQ-PVAVHDDUSA-N 1 1 284.403 2.856 20 30 CFEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886633148 647078895 /nfs/dbraw/zinc/07/88/95/647078895.db2.gz NTKPHJYKMGCDPT-HZPDHXFCSA-N 1 1 290.794 2.949 20 30 CFEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886633148 647078900 /nfs/dbraw/zinc/07/89/00/647078900.db2.gz NTKPHJYKMGCDPT-HZPDHXFCSA-N 1 1 290.794 2.949 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886632747 647079106 /nfs/dbraw/zinc/07/91/06/647079106.db2.gz CSFBFYAWXIOMCW-GDBMZVCRSA-N 1 1 264.413 2.943 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886679449 647107395 /nfs/dbraw/zinc/10/73/95/647107395.db2.gz XDFWJJJXFLHDPL-CQSZACIVSA-N 1 1 296.349 2.867 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886679449 647107396 /nfs/dbraw/zinc/10/73/96/647107396.db2.gz XDFWJJJXFLHDPL-CQSZACIVSA-N 1 1 296.349 2.867 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3ncccn3)C2)ccc1F ZINC000886680762 647107660 /nfs/dbraw/zinc/10/76/60/647107660.db2.gz LGLSFBYZVDSGBA-AWEZNQCLSA-N 1 1 296.349 2.867 20 30 CFEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@@H](c3ncccn3)C2)cc1 ZINC000886685907 647109740 /nfs/dbraw/zinc/10/97/40/647109740.db2.gz GDKCHBDOTBAQDQ-MRXNPFEDSA-N 1 1 295.361 2.847 20 30 CFEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](c3ncccn3)C2)cc1 ZINC000886685907 647109742 /nfs/dbraw/zinc/10/97/42/647109742.db2.gz GDKCHBDOTBAQDQ-MRXNPFEDSA-N 1 1 295.361 2.847 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)c1F ZINC000886686832 647110283 /nfs/dbraw/zinc/11/02/83/647110283.db2.gz YGZFKINOPOPADS-OAHLLOKOSA-N 1 1 296.349 2.867 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](c3ncccn3)C2)c1F ZINC000886686832 647110290 /nfs/dbraw/zinc/11/02/90/647110290.db2.gz YGZFKINOPOPADS-OAHLLOKOSA-N 1 1 296.349 2.867 20 30 CFEDMO CSc1ccc(C[NH2+][C@H](C)c2ccn(C)n2)cc1C#N ZINC000886689521 647111670 /nfs/dbraw/zinc/11/16/70/647111670.db2.gz BMTVISLZJHBMMJ-LLVKDONJSA-N 1 1 286.404 2.864 20 30 CFEDMO C#CCCCCC[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886689664 647112483 /nfs/dbraw/zinc/11/24/83/647112483.db2.gz FVNSIWWJCNLYEW-OAHLLOKOSA-N 1 1 257.381 2.850 20 30 CFEDMO C=CCC1(O)CC[NH+]([C@@H](CC)C(=O)OC(C)(C)C)CC1 ZINC000886776871 647134114 /nfs/dbraw/zinc/13/41/14/647134114.db2.gz RRVDTYZGSGADLD-ZDUSSCGKSA-N 1 1 283.412 2.510 20 30 CFEDMO Cc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1C#N ZINC000886815818 647148914 /nfs/dbraw/zinc/14/89/14/647148914.db2.gz KFHRKLXBWMFYGK-WBVHZDCISA-N 1 1 270.376 2.868 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886833206 647156566 /nfs/dbraw/zinc/15/65/66/647156566.db2.gz UZJSEOHAUDDUOB-CZUORRHYSA-N 1 1 274.339 2.698 20 30 CFEDMO COCC[N@@H+](CCOCCC#N)Cc1ccc(C)c(C)c1 ZINC000887110290 647217245 /nfs/dbraw/zinc/21/72/45/647217245.db2.gz JOKNQSGVMSFKAP-UHFFFAOYSA-N 1 1 290.407 2.682 20 30 CFEDMO C=CCCCC[N@@H+]1Cc2cc(C(=O)OCC)nn2C[C@@H]1C ZINC000887118258 647218131 /nfs/dbraw/zinc/21/81/31/647218131.db2.gz KKZJFRVMRVDOBD-ZDUSSCGKSA-N 1 1 291.395 2.620 20 30 CFEDMO C=CCCCC[N@H+]1Cc2cc(C(=O)OCC)nn2C[C@@H]1C ZINC000887118258 647218138 /nfs/dbraw/zinc/21/81/38/647218138.db2.gz KKZJFRVMRVDOBD-ZDUSSCGKSA-N 1 1 291.395 2.620 20 30 CFEDMO CC(=O)[C@@](C#N)(CC[N@@H+](C)CCCF)c1ccccc1 ZINC000887143797 647230018 /nfs/dbraw/zinc/23/00/18/647230018.db2.gz PNNDNSUEMYIYFM-INIZCTEOSA-N 1 1 276.355 2.718 20 30 CFEDMO CCC(C)(C)N(CCC#N)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000890023111 647726161 /nfs/dbraw/zinc/72/61/61/647726161.db2.gz TZKWLHWEOBSPOM-KBPBESRZSA-N 1 1 279.428 2.648 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCOC2(CCC2)C1 ZINC000930143543 647829209 /nfs/dbraw/zinc/82/92/09/647829209.db2.gz RHDAWEYWBDTLAJ-UHFFFAOYSA-N 1 1 270.376 2.930 20 30 CFEDMO CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(C#N)c1[O-] ZINC000924712761 648034024 /nfs/dbraw/zinc/03/40/24/648034024.db2.gz JSMWYBOBIWLFDH-MRXNPFEDSA-N 1 1 298.390 2.900 20 30 CFEDMO C=CC[C@@H]([NH2+][C@H](C)c1nn(CC)nc1C)c1ccncc1 ZINC000925075217 648100511 /nfs/dbraw/zinc/10/05/11/648100511.db2.gz MQXBQMRWOGSMDU-IUODEOHRSA-N 1 1 285.395 2.969 20 30 CFEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000925421113 648165967 /nfs/dbraw/zinc/16/59/67/648165967.db2.gz NVTYBCLNQFAAOH-MFKMUULPSA-N 1 1 282.334 2.916 20 30 CFEDMO C=CC[C@H](N[C@@H]1C[C@@H]([NH3+])C12CCC2)c1ccncc1 ZINC000925498116 648184445 /nfs/dbraw/zinc/18/44/45/648184445.db2.gz MJXRBENDIRIFLF-RRFJBIMHSA-N 1 1 257.381 2.558 20 30 CFEDMO CC(C)c1nc([C@@H](C)N[C@@H](C)CC(C)(C)C#N)n[nH]1 ZINC000925657749 648266069 /nfs/dbraw/zinc/26/60/69/648266069.db2.gz FWYPEPYIBYPBCF-WDEREUQCSA-N 1 1 263.389 2.907 20 30 CFEDMO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N)[nH]1 ZINC000925657749 648266074 /nfs/dbraw/zinc/26/60/74/648266074.db2.gz FWYPEPYIBYPBCF-WDEREUQCSA-N 1 1 263.389 2.907 20 30 CFEDMO CSc1ccc(CN[C@H]2C[C@@H]([NH3+])C23CCC3)cc1C#N ZINC000925771285 648314816 /nfs/dbraw/zinc/31/48/16/648314816.db2.gz APXBVMKIHCMLCS-CABCVRRESA-N 1 1 287.432 2.640 20 30 CFEDMO C#C[C@H]([NH2+][C@@H]1CCCc2c(Cl)ccnc21)[C@H]1CCCO1 ZINC000926209108 648435235 /nfs/dbraw/zinc/43/52/35/648435235.db2.gz CHVVMWMZJOCXCW-RRFJBIMHSA-N 1 1 290.794 2.883 20 30 CFEDMO C#C[C@H](N[C@H](C)c1cccc(C[NH+](C)C)c1)[C@H]1CCCO1 ZINC000926211452 648436276 /nfs/dbraw/zinc/43/62/76/648436276.db2.gz UKRZCTLBKMOYPP-FHLIZLRMSA-N 1 1 286.419 2.580 20 30 CFEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1cccc(OC)n1 ZINC000926227189 648441168 /nfs/dbraw/zinc/44/11/68/648441168.db2.gz AWIHUMUYWPVBCP-AWEZNQCLSA-N 1 1 282.347 2.598 20 30 CFEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ncnn1-c1ccccc1 ZINC000926303050 648458904 /nfs/dbraw/zinc/45/89/04/648458904.db2.gz HWSVFGBHDVUAHY-CYBMUJFWSA-N 1 1 283.379 2.685 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@@H](C)c2cc(OC)no2)cc1 ZINC000926531668 648520321 /nfs/dbraw/zinc/52/03/21/648520321.db2.gz UOESJBJJAXQBGA-LBPRGKRZSA-N 1 1 286.331 2.546 20 30 CFEDMO CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1[O-] ZINC000926538874 648524034 /nfs/dbraw/zinc/52/40/34/648524034.db2.gz DULRAKRLOAPUJJ-UCMJJCQDSA-N 1 1 299.418 2.930 20 30 CFEDMO CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1[O-] ZINC000926538873 648524110 /nfs/dbraw/zinc/52/41/10/648524110.db2.gz DULRAKRLOAPUJJ-BTFYYFJDSA-N 1 1 299.418 2.930 20 30 CFEDMO C=C1CCC(CNC(=O)N(CCC)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000926547757 648528447 /nfs/dbraw/zinc/52/84/47/648528447.db2.gz PAOQQCLIVXPPHO-INIZCTEOSA-N 1 1 293.455 2.859 20 30 CFEDMO COc1cc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)on1 ZINC000926549721 648529396 /nfs/dbraw/zinc/52/93/96/648529396.db2.gz HHBMBPZMXNYXOL-SECBINFHSA-N 1 1 275.283 2.545 20 30 CFEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000926571229 648538518 /nfs/dbraw/zinc/53/85/18/648538518.db2.gz QADMHNHCTUPEBL-SNVBAGLBSA-N 1 1 263.389 2.520 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H]2CCc3cccc(C)c32)nn1 ZINC000926612438 648551010 /nfs/dbraw/zinc/55/10/10/648551010.db2.gz AHCGREAUPKLVSW-HNNXBMFYSA-N 1 1 268.364 2.550 20 30 CFEDMO COC(=O)c1cnc([C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N)s1 ZINC000926612894 648551211 /nfs/dbraw/zinc/55/12/11/648551211.db2.gz BFPXREYMBKLPPL-NXEZZACHSA-N 1 1 295.408 2.909 20 30 CFEDMO C[C@@H]([NH2+]Cc1cc(C2CC2)nn1C)c1cccc(C#N)c1O ZINC000927099891 648711171 /nfs/dbraw/zinc/71/11/71/648711171.db2.gz KYVCKLCRVZPJKH-LLVKDONJSA-N 1 1 296.374 2.726 20 30 CFEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000929211380 649003466 /nfs/dbraw/zinc/00/34/66/649003466.db2.gz IGEOTRLVQPRYIZ-CQSZACIVSA-N 1 1 270.376 2.728 20 30 CFEDMO C=C(C)C[N@@H+](CC)C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000929219661 649005907 /nfs/dbraw/zinc/00/59/07/649005907.db2.gz UEHOBUORAVRPQP-IAGOWNOFSA-N 1 1 277.408 2.759 20 30 CFEDMO C[NH+](C)CC1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929283389 649022897 /nfs/dbraw/zinc/02/28/97/649022897.db2.gz RDTXIAMWPDEDPD-UHFFFAOYSA-N 1 1 291.826 2.985 20 30 CFEDMO C=CC[N@@H+](C[C@H](O)COc1ccc2cc[nH]c2c1)C(C)C ZINC000929292533 649025464 /nfs/dbraw/zinc/02/54/64/649025464.db2.gz LVVFZYMJRCBNFV-HNNXBMFYSA-N 1 1 288.391 2.804 20 30 CFEDMO C=C[C@@H](CC)CC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000929321650 649030417 /nfs/dbraw/zinc/03/04/17/649030417.db2.gz DMGZOOVGSKWBBL-STQMWFEESA-N 1 1 264.369 2.601 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929329042 649031845 /nfs/dbraw/zinc/03/18/45/649031845.db2.gz 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C#CC1CC[NH+](Cc2cnc(F)c(OC(C)C)c2)CC1 ZINC001238604338 779349719 /nfs/dbraw/zinc/34/97/19/779349719.db2.gz QYJMEUDSHNMUIA-UHFFFAOYSA-N 1 1 276.355 2.853 20 30 CFEDMO CCOc1cc(O)cc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC001235409629 779351558 /nfs/dbraw/zinc/35/15/58/779351558.db2.gz MXBZOFQVAMUKES-UHFFFAOYSA-N 1 1 274.364 2.917 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CC=CC2)CC(C)(C)C1 ZINC001089344767 779352070 /nfs/dbraw/zinc/35/20/70/779352070.db2.gz PZMJSTAJHWOUTI-HNNXBMFYSA-N 1 1 276.424 2.745 20 30 CFEDMO C=CC[NH+]1CCN(Cc2cc(F)c(F)cc2OCC)CC1 ZINC001238654294 779358466 /nfs/dbraw/zinc/35/84/66/779358466.db2.gz VDPVLFNSIPVSES-UHFFFAOYSA-N 1 1 296.361 2.667 20 30 CFEDMO C[C@]1(CO)CCC[N@@H+](Cc2ccccc2CC#N)CC1 ZINC001235512730 779360789 /nfs/dbraw/zinc/36/07/89/779360789.db2.gz UUUAKOCQVPTRQV-KRWDZBQOSA-N 1 1 272.392 2.737 20 30 CFEDMO CCCCCCC[N@@H+](C)CCCNC(=O)[C@@H](C)COC ZINC001235668887 779367987 /nfs/dbraw/zinc/36/79/87/779367987.db2.gz IDTZJDDHFHUQDE-HNNXBMFYSA-N 1 1 286.460 2.677 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cc(C)cnc2SC)C1 ZINC001238718893 779376147 /nfs/dbraw/zinc/37/61/47/779376147.db2.gz VJUWRIAPDILTQU-ZDUSSCGKSA-N 1 1 260.406 2.957 20 30 CFEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)C1CCC1 ZINC001235780085 779377299 /nfs/dbraw/zinc/37/72/99/779377299.db2.gz SAYLTMLMEAWVOV-GDBMZVCRSA-N 1 1 278.440 2.922 20 30 CFEDMO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccsc2C(F)F)C1 ZINC001046802774 779381743 /nfs/dbraw/zinc/38/17/43/779381743.db2.gz MJPAGRNTXVFJOU-CQSZACIVSA-N 1 1 298.358 2.513 20 30 CFEDMO C#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccsc2C(F)F)C1 ZINC001046802774 779381748 /nfs/dbraw/zinc/38/17/48/779381748.db2.gz MJPAGRNTXVFJOU-CQSZACIVSA-N 1 1 298.358 2.513 20 30 CFEDMO CCc1cc(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)ccc1C#N ZINC001238765580 779384531 /nfs/dbraw/zinc/38/45/31/779384531.db2.gz DOFXKOFFBAMFGO-GUYCJALGSA-N 1 1 272.392 2.713 20 30 CFEDMO CCc1cc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)ccc1C#N ZINC001238761197 779384707 /nfs/dbraw/zinc/38/47/07/779384707.db2.gz 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C=CCC[NH+]1CC(NC(=O)[C@H]2CCCCc3ccccc32)C1 ZINC001031451219 779460708 /nfs/dbraw/zinc/46/07/08/779460708.db2.gz DEFNHCDDKHXJNU-SFHVURJKSA-N 1 1 298.430 2.873 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cccc3c2CCC3)C1 ZINC001031468661 779465216 /nfs/dbraw/zinc/46/52/16/779465216.db2.gz ZHTIVNORYYGWDW-UHFFFAOYSA-N 1 1 284.403 2.556 20 30 CFEDMO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+](CCF)CC(C)(C)C2)C1 ZINC001089484699 779493770 /nfs/dbraw/zinc/49/37/70/779493770.db2.gz AHCLOOQBQAMMNG-AWEZNQCLSA-N 1 1 296.430 2.919 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC3)CC(C)(C)C1 ZINC001089502264 779499158 /nfs/dbraw/zinc/49/91/58/779499158.db2.gz NMMGAGCSBYZNDO-GJZGRUSLSA-N 1 1 290.451 2.969 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2)CC(C)(C)C1 ZINC001089548993 779507401 /nfs/dbraw/zinc/50/74/01/779507401.db2.gz RWXVXDLINNAOAI-QGZVFWFLSA-N 1 1 298.430 2.849 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(Cl)cc1C ZINC001038584695 779521338 /nfs/dbraw/zinc/52/13/38/779521338.db2.gz ZYWNGKSRWORHRA-CYBMUJFWSA-N 1 1 292.810 2.947 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C)c(Cl)cc1C ZINC001038584695 779521342 /nfs/dbraw/zinc/52/13/42/779521342.db2.gz ZYWNGKSRWORHRA-CYBMUJFWSA-N 1 1 292.810 2.947 20 30 CFEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccco1 ZINC001089595206 779536520 /nfs/dbraw/zinc/53/65/20/779536520.db2.gz GSEQVIAMWAQDCS-CYBMUJFWSA-N 1 1 276.380 2.686 20 30 CFEDMO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC1 ZINC001089601461 779540162 /nfs/dbraw/zinc/54/01/62/779540162.db2.gz XTLKXFZPZAYIJX-CQSZACIVSA-N 1 1 264.413 2.579 20 30 CFEDMO CC#CC[NH+]1CC(CNC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001031717673 779549583 /nfs/dbraw/zinc/54/95/83/779549583.db2.gz CSPNGPBJTYGKDB-UHFFFAOYSA-N 1 1 296.414 2.639 20 30 CFEDMO C=C(C)CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC ZINC001089742983 779584197 /nfs/dbraw/zinc/58/41/97/779584197.db2.gz SWMICFUPDHJSKU-JJXSEGSLSA-N 1 1 276.424 2.531 20 30 CFEDMO C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC ZINC001089742982 779584392 /nfs/dbraw/zinc/58/43/92/779584392.db2.gz SWMICFUPDHJSKU-FZKCQIBNSA-N 1 1 276.424 2.531 20 30 CFEDMO C=CCC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC ZINC001089759317 779585231 /nfs/dbraw/zinc/58/52/31/779585231.db2.gz XXYDBPHFWBCVLN-JONQDZQNSA-N 1 1 276.424 2.531 20 30 CFEDMO C#CC[NH+]1CC(CNC(=O)c2ccc(C(C)(C)CC)cc2)C1 ZINC001031756165 779590073 /nfs/dbraw/zinc/59/00/73/779590073.db2.gz VFPYOXRWBUNUQC-UHFFFAOYSA-N 1 1 298.430 2.669 20 30 CFEDMO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)/C(C)=C\C ZINC001089789837 779600924 /nfs/dbraw/zinc/60/09/24/779600924.db2.gz OSTLLPAFKMKBAU-HDXNURBISA-N 1 1 288.435 2.698 20 30 CFEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC2CC2)C1 ZINC001089789373 779601041 /nfs/dbraw/zinc/60/10/41/779601041.db2.gz VWAGNYDCRPROAI-QAETUUGQSA-N 1 1 288.435 2.531 20 30 CFEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(C)cc(OC)c2)no1 ZINC001212325314 779608598 /nfs/dbraw/zinc/60/85/98/779608598.db2.gz NNUKMJBQOPRNNL-AWEZNQCLSA-N 1 1 285.347 2.857 20 30 CFEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(OC)cc2)no1 ZINC001212325103 779609738 /nfs/dbraw/zinc/60/97/38/779609738.db2.gz HYXJVQJLIPKGCJ-ZDUSSCGKSA-N 1 1 271.320 2.549 20 30 CFEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cccc3c2CCC3=O)no1 ZINC001212324889 779610152 /nfs/dbraw/zinc/61/01/52/779610152.db2.gz AXEOGBUMYQTOKX-AWEZNQCLSA-N 1 1 295.342 2.669 20 30 CFEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccccc2F)no1 ZINC001212325539 779610867 /nfs/dbraw/zinc/61/08/67/779610867.db2.gz TYPCDJIESYHVHI-LBPRGKRZSA-N 1 1 259.284 2.679 20 30 CFEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(OC)cc2C)no1 ZINC001212325509 779610922 /nfs/dbraw/zinc/61/09/22/779610922.db2.gz SNVVMZPKQVYFII-AWEZNQCLSA-N 1 1 285.347 2.857 20 30 CFEDMO CC#CC[NH+]1CC(CNC(=O)c2ccc(CCCC)cc2)C1 ZINC001031829477 779633342 /nfs/dbraw/zinc/63/33/42/779633342.db2.gz STEPSELDRDAAQI-UHFFFAOYSA-N 1 1 298.430 2.714 20 30 CFEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(C)CCC2)C1 ZINC001089846130 779646055 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349684708 /nfs/dbraw/zinc/68/47/08/349684708.db2.gz AWAYRDWCXAMUKG-GFCCVEGCSA-N 1 1 294.351 2.626 20 30 CFEDMO C=CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)COC ZINC000595639600 349685608 /nfs/dbraw/zinc/68/56/08/349685608.db2.gz VAXJHJODOVUOGB-NSHDSACASA-N 1 1 282.315 2.757 20 30 CFEDMO C=CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](C)COC ZINC000595639600 349685610 /nfs/dbraw/zinc/68/56/10/349685610.db2.gz VAXJHJODOVUOGB-NSHDSACASA-N 1 1 282.315 2.757 20 30 CFEDMO C[N@@H+]1CCC[C@@H]1CCNC(C)(C)c1cccc(C#N)c1 ZINC000595639109 349685956 /nfs/dbraw/zinc/68/59/56/349685956.db2.gz HGGXOTQSMRJMNC-MRXNPFEDSA-N 1 1 271.408 2.867 20 30 CFEDMO C[N@H+]1CCC[C@@H]1CCNC(C)(C)c1cccc(C#N)c1 ZINC000595639109 349685959 /nfs/dbraw/zinc/68/59/59/349685959.db2.gz HGGXOTQSMRJMNC-MRXNPFEDSA-N 1 1 271.408 2.867 20 30 CFEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCC2(CCCC2)CC1 ZINC000595642101 349687499 /nfs/dbraw/zinc/68/74/99/349687499.db2.gz NZHAZILZNSMBIU-HNNXBMFYSA-N 1 1 291.439 2.793 20 30 CFEDMO 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292.448 2.919 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000132458036 377842247 /nfs/dbraw/zinc/84/22/47/377842247.db2.gz IFVSJZVSKWQKMD-LBPRGKRZSA-N 1 1 267.394 2.659 20 30 CFEDMO COc1ccc(C[N@H+](CCC#N)CC2CC2)cc1C#N ZINC000135119522 378084313 /nfs/dbraw/zinc/08/43/13/378084313.db2.gz QYYCNDIKNBJJCZ-UHFFFAOYSA-N 1 1 269.348 2.693 20 30 CFEDMO COc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1C#N ZINC000135119522 378084316 /nfs/dbraw/zinc/08/43/16/378084316.db2.gz QYYCNDIKNBJJCZ-UHFFFAOYSA-N 1 1 269.348 2.693 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCCC3(CCOCC3)C2)c1 ZINC000266015980 190223549 /nfs/dbraw/zinc/22/35/49/190223549.db2.gz NFKXOFLVODPORO-UHFFFAOYSA-N 1 1 270.376 2.951 20 30 CFEDMO N#CCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000134900219 378060283 /nfs/dbraw/zinc/06/02/83/378060283.db2.gz XIPOWVCFFXAONL-HOCLYGCPSA-N 1 1 261.413 2.629 20 30 CFEDMO N#CCCCC[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000134900219 378060286 /nfs/dbraw/zinc/06/02/86/378060286.db2.gz 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C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000412093981 381158283 /nfs/dbraw/zinc/15/82/83/381158283.db2.gz SAUOEBTXEYIUPR-YPMHNXCESA-N 1 1 278.783 2.804 20 30 CFEDMO C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000412093981 381158289 /nfs/dbraw/zinc/15/82/89/381158289.db2.gz SAUOEBTXEYIUPR-YPMHNXCESA-N 1 1 278.783 2.804 20 30 CFEDMO C=CCCC[NH2+][C@H](C)c1noc(COC(C)C)n1 ZINC000289742370 381131307 /nfs/dbraw/zinc/13/13/07/381131307.db2.gz DZWPFKZZHQTTLC-LLVKDONJSA-N 1 1 253.346 2.611 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)NCc1cccc(C#N)c1 ZINC000289748820 381136637 /nfs/dbraw/zinc/13/66/37/381136637.db2.gz WGTKJXJQERBXNS-CQSZACIVSA-N 1 1 259.397 2.768 20 30 CFEDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000289748820 381136643 /nfs/dbraw/zinc/13/66/43/381136643.db2.gz WGTKJXJQERBXNS-CQSZACIVSA-N 1 1 259.397 2.768 20 30 CFEDMO CC[NH+](CC)[C@@H](C)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000359014605 381216803 /nfs/dbraw/zinc/21/68/03/381216803.db2.gz BLCYXDDHBIMQPC-KBPBESRZSA-N 1 1 259.397 2.939 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](CC(C)C)C1 ZINC000342129601 381211831 /nfs/dbraw/zinc/21/18/31/381211831.db2.gz CCWDMZSUWSKDKW-HZPDHXFCSA-N 1 1 278.440 2.944 20 30 CFEDMO Cc1cc(N(C)CC[C@H]2CCCC[N@H+]2C)cc(C#N)n1 ZINC000342294805 381255159 /nfs/dbraw/zinc/25/51/59/381255159.db2.gz NESBKQUMZGQEKU-OAHLLOKOSA-N 1 1 272.396 2.572 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000369457582 381262076 /nfs/dbraw/zinc/26/20/76/381262076.db2.gz KCKFUMKEVWAKOU-JKSUJKDBSA-N 1 1 274.339 2.841 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000369457582 381262082 /nfs/dbraw/zinc/26/20/82/381262082.db2.gz KCKFUMKEVWAKOU-JKSUJKDBSA-N 1 1 274.339 2.841 20 30 CFEDMO N#Cc1c(C[N@H+]2CCCO[C@@H]3CCC[C@H]32)cn2ccccc12 ZINC000369456040 381262342 /nfs/dbraw/zinc/26/23/42/381262342.db2.gz DWUAUCAUJHDVPJ-QZTJIDSGSA-N 1 1 295.386 2.954 20 30 CFEDMO CO[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)CC1(C)C ZINC000296130071 381268593 /nfs/dbraw/zinc/26/85/93/381268593.db2.gz SEWWNGUFFGEZDA-MRXNPFEDSA-N 1 1 288.391 2.684 20 30 CFEDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000369247527 381221867 /nfs/dbraw/zinc/22/18/67/381221867.db2.gz BUOZBIXYQOAXTN-INIZCTEOSA-N 1 1 258.365 2.807 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1c(C)nn(C)c1Cl)C(C)(C)C ZINC000289954029 381232528 /nfs/dbraw/zinc/23/25/28/381232528.db2.gz BRODBDYSZZSARS-LLVKDONJSA-N 1 1 253.777 2.519 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)o1 ZINC000183212301 381236707 /nfs/dbraw/zinc/23/67/07/381236707.db2.gz RUZKFHSALRJBLF-MRXNPFEDSA-N 1 1 286.306 2.944 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)o1 ZINC000183212301 381236714 /nfs/dbraw/zinc/23/67/14/381236714.db2.gz RUZKFHSALRJBLF-MRXNPFEDSA-N 1 1 286.306 2.944 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000289966076 381240398 /nfs/dbraw/zinc/24/03/98/381240398.db2.gz IWHMOJGIFDLGRT-KGLIPLIRSA-N 1 1 283.293 2.556 20 30 CFEDMO CCOC(=O)[C@@H]([NH2+]CCCC(C)(C)C#N)[C@H](C)CC ZINC000183568391 381288824 /nfs/dbraw/zinc/28/88/24/381288824.db2.gz KCEYLICQGWJMQA-OLZOCXBDSA-N 1 1 268.401 2.884 20 30 CFEDMO C=CCOc1ccc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)cc1 ZINC000354457484 381282931 /nfs/dbraw/zinc/28/29/31/381282931.db2.gz XZPCPVQXJGYKHG-GASCZTMLSA-N 1 1 274.408 2.776 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)cc1 ZINC000354457484 381282933 /nfs/dbraw/zinc/28/29/33/381282933.db2.gz XZPCPVQXJGYKHG-GASCZTMLSA-N 1 1 274.408 2.776 20 30 CFEDMO CCOc1cc(C[NH2+]C[C@@H](C)C#N)cc(Cl)c1OC ZINC000183818002 381324907 /nfs/dbraw/zinc/32/49/07/381324907.db2.gz ZMDUSOUKCRMYMH-JTQLQIEISA-N 1 1 282.771 2.997 20 30 CFEDMO CCOc1c(Cl)cc(C[NH2+]C[C@@H](C)C#N)cc1OC ZINC000183835140 381328409 /nfs/dbraw/zinc/32/84/09/381328409.db2.gz BXYUKVCKDRIIGO-JTQLQIEISA-N 1 1 282.771 2.997 20 30 CFEDMO COCC[N@@H+](CCC(=O)C(C)C)Cc1ccc(C#N)cc1 ZINC000290209570 381342579 /nfs/dbraw/zinc/34/25/79/381342579.db2.gz HGIAEGIZJHEIIO-UHFFFAOYSA-N 1 1 288.391 2.622 20 30 CFEDMO C=CCOc1cccc(NC(=O)C[N@H+](C)CCC)c1 ZINC000359249741 381309876 /nfs/dbraw/zinc/30/98/76/381309876.db2.gz IVBHCCYGZPBZRT-UHFFFAOYSA-N 1 1 262.353 2.532 20 30 CFEDMO C[C@@H](O)c1ncc(C[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000290224823 381348229 /nfs/dbraw/zinc/34/82/29/381348229.db2.gz FIHSWBBMBPFMAC-LLVKDONJSA-N 1 1 299.399 2.847 20 30 CFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1nccc(C#N)c1Cl ZINC000342512600 381369440 /nfs/dbraw/zinc/36/94/40/381369440.db2.gz OXMAVFNOMPNPLL-OLZOCXBDSA-N 1 1 290.798 2.670 20 30 CFEDMO C#Cc1ccc(C[NH2+]Cc2ncc(CC)s2)cc1 ZINC000290295608 381373129 /nfs/dbraw/zinc/37/31/29/381373129.db2.gz HJGNKAUPDWCSPH-UHFFFAOYSA-N 1 1 256.374 2.977 20 30 CFEDMO C[C@@H]1COCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000370054259 381373886 /nfs/dbraw/zinc/37/38/86/381373886.db2.gz VKVPXOMQXVMDQN-HNNXBMFYSA-N 1 1 287.407 2.505 20 30 CFEDMO Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cc(C#N)ccc1C)C2 ZINC000290303877 381376008 /nfs/dbraw/zinc/37/60/08/381376008.db2.gz ZCYUNWIGOXHJGO-CQSZACIVSA-N 1 1 294.358 2.573 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000370229703 381409772 /nfs/dbraw/zinc/40/97/72/381409772.db2.gz DIEIZGLZAOJFPO-ZIAGYGMSSA-N 1 1 271.401 2.609 20 30 CFEDMO C[N@H+](CC[C@@H]1CCCO1)Cc1cc(F)ccc1C#N ZINC000342611340 381433545 /nfs/dbraw/zinc/43/35/45/381433545.db2.gz XUUWUIUNVLMYTE-HNNXBMFYSA-N 1 1 262.328 2.698 20 30 CFEDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1cc(F)ccc1C#N ZINC000342611340 381433550 /nfs/dbraw/zinc/43/35/50/381433550.db2.gz XUUWUIUNVLMYTE-HNNXBMFYSA-N 1 1 262.328 2.698 20 30 CFEDMO CC#CC[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000348230340 381474820 /nfs/dbraw/zinc/47/48/20/381474820.db2.gz NZCJPKABCCULTD-HNNXBMFYSA-N 1 1 261.340 2.830 20 30 CFEDMO CC[N@@H+](CCC(=O)N1CCCc2ccccc21)C[C@@H](C)C#N ZINC000348267862 381478979 /nfs/dbraw/zinc/47/89/79/381478979.db2.gz ADAXHSULGWNKHQ-HNNXBMFYSA-N 1 1 299.418 2.837 20 30 CFEDMO C=CCOCCC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000348032497 381453582 /nfs/dbraw/zinc/45/35/82/381453582.db2.gz MEDJFTKPLZKSPR-MRXNPFEDSA-N 1 1 285.391 2.876 20 30 CFEDMO C=CCOCCC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000348048895 381455670 /nfs/dbraw/zinc/45/56/70/381455670.db2.gz HMKYISMTVFAWHP-GOSISDBHSA-N 1 1 289.419 2.913 20 30 CFEDMO C=CCOCCC[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000348046979 381456820 /nfs/dbraw/zinc/45/68/20/381456820.db2.gz DZMYSPSGZQSTSE-PBHICJAKSA-N 1 1 275.392 2.903 20 30 CFEDMO C=CCOCCC[N@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000348057801 381457849 /nfs/dbraw/zinc/45/78/49/381457849.db2.gz PPRKQUMMCWZSGX-CABCVRRESA-N 1 1 267.413 2.859 20 30 CFEDMO C[C@@H]1CCSCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000348152853 381466149 /nfs/dbraw/zinc/46/61/49/381466149.db2.gz QYKGETOOSLJZPK-CQSZACIVSA-N 1 1 282.453 2.914 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000359556285 381467259 /nfs/dbraw/zinc/46/72/59/381467259.db2.gz LXWAHFJZJLTJMJ-ZMSDIMECSA-N 1 1 291.439 2.507 20 30 CFEDMO C=C(Br)C[N@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000370865589 381509536 /nfs/dbraw/zinc/50/95/36/381509536.db2.gz WCCNUKSJGUIWFE-HBNTYKKESA-N 1 1 274.202 2.640 20 30 CFEDMO Cc1cc(C[N@H+](CC2CCC2)[C@@H](C)CO)ccc1C#N ZINC000348332544 381511262 /nfs/dbraw/zinc/51/12/62/381511262.db2.gz AUCNDYNGQCBQQO-AWEZNQCLSA-N 1 1 272.392 2.850 20 30 CFEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@@H]2C2CC2)c(C#N)c1C ZINC000370902860 381511618 /nfs/dbraw/zinc/51/16/18/381511618.db2.gz NJIQQXPYXFRRCV-CQSZACIVSA-N 1 1 287.363 2.581 20 30 CFEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@@H]2C2CC2)c(C#N)c1C ZINC000370902860 381511625 /nfs/dbraw/zinc/51/16/25/381511625.db2.gz NJIQQXPYXFRRCV-CQSZACIVSA-N 1 1 287.363 2.581 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000342741328 381512189 /nfs/dbraw/zinc/51/21/89/381512189.db2.gz UHZVXCUZQJGXSL-AWEZNQCLSA-N 1 1 260.381 2.508 20 30 CFEDMO C[NH+](C)C[C@H](N[C@H]1CC[C@H](C#N)C1)c1ccc(F)cc1 ZINC000348340840 381517242 /nfs/dbraw/zinc/51/72/42/381517242.db2.gz YDSUUWFDVIEIDI-RCBQFDQVSA-N 1 1 275.371 2.710 20 30 CFEDMO COC[C@@]1(C)CC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000296654361 381491841 /nfs/dbraw/zinc/49/18/41/381491841.db2.gz JGLKUCINEHSFJD-CJNGLKHVSA-N 1 1 258.365 2.978 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000342717388 381495312 /nfs/dbraw/zinc/49/53/12/381495312.db2.gz FNVYFBHPKBESKW-HUUCEWRRSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CCC[N@H+](C)Cc1cncn1Cc1ccccc1 ZINC000342718011 381495492 /nfs/dbraw/zinc/49/54/92/381495492.db2.gz GZUGXRQNKNMWNR-UHFFFAOYSA-N 1 1 255.365 2.939 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000342720268 381497491 /nfs/dbraw/zinc/49/74/91/381497491.db2.gz KPHXQLBPEDMDAH-BYNSBNAKSA-N 1 1 266.429 2.824 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC000342720357 381497849 /nfs/dbraw/zinc/49/78/49/381497849.db2.gz LDLBURYFWJJBAI-UHFFFAOYSA-N 1 1 250.317 2.581 20 30 CFEDMO C=CC[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185124041 381541276 /nfs/dbraw/zinc/54/12/76/381541276.db2.gz NTQLPUUPYGBMBH-SNVBAGLBSA-N 1 1 259.309 2.582 20 30 CFEDMO C[N@@H+](CCNc1cccnc1C#N)Cc1ccc(F)cc1 ZINC000290767646 381544740 /nfs/dbraw/zinc/54/47/40/381544740.db2.gz LBMPRAMNINQXIE-UHFFFAOYSA-N 1 1 284.338 2.636 20 30 CFEDMO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc(Cl)c(C#N)n1 ZINC000290776490 381549137 /nfs/dbraw/zinc/54/91/37/381549137.db2.gz VZNNWXSHBSWWLW-SNVBAGLBSA-N 1 1 266.776 2.747 20 30 CFEDMO C=CC[C@H](CC)NC(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000359677092 381549166 /nfs/dbraw/zinc/54/91/66/381549166.db2.gz GDWYLXXHONBCRA-UONOGXRCSA-N 1 1 267.417 2.515 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000342767176 381524724 /nfs/dbraw/zinc/52/47/24/381524724.db2.gz XUANEKUEEYVKIP-MRXNPFEDSA-N 1 1 272.392 2.688 20 30 CFEDMO CC[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nccs1 ZINC000342767900 381527008 /nfs/dbraw/zinc/52/70/08/381527008.db2.gz HMZJPBMFAUSFAI-ZDUSSCGKSA-N 1 1 297.387 2.903 20 30 CFEDMO CC(C)c1[nH+]ccn1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000413003402 381532374 /nfs/dbraw/zinc/53/23/74/381532374.db2.gz UNNUXWKOMMNNOJ-UHFFFAOYSA-N 1 1 270.292 2.835 20 30 CFEDMO C=CCC(CC=C)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000290856915 381576428 /nfs/dbraw/zinc/57/64/28/381576428.db2.gz BGEZRYODMIWQGU-CYBMUJFWSA-N 1 1 252.402 2.600 20 30 CFEDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000342843460 381580894 /nfs/dbraw/zinc/58/08/94/381580894.db2.gz RQGCXMMPOWQPLV-CYBMUJFWSA-N 1 1 291.420 2.500 20 30 CFEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C)nn1 ZINC000414374599 381581704 /nfs/dbraw/zinc/58/17/04/381581704.db2.gz VAZAGJJHJPRGCV-UHFFFAOYSA-N 1 1 283.375 2.982 20 30 CFEDMO C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc(C)nn1 ZINC000414374599 381581712 /nfs/dbraw/zinc/58/17/12/381581712.db2.gz VAZAGJJHJPRGCV-UHFFFAOYSA-N 1 1 283.375 2.982 20 30 CFEDMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000342810136 381559150 /nfs/dbraw/zinc/55/91/50/381559150.db2.gz OUGTXQZAHHVHDI-SUMWQHHRSA-N 1 1 281.403 2.620 20 30 CFEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000342810136 381559154 /nfs/dbraw/zinc/55/91/54/381559154.db2.gz OUGTXQZAHHVHDI-SUMWQHHRSA-N 1 1 281.403 2.620 20 30 CFEDMO CCOCCCN1CC[C@H]([NH2+]CC(C)(C)CC#N)[C@H](C)C1 ZINC000414166330 381565933 /nfs/dbraw/zinc/56/59/33/381565933.db2.gz NIMODUFEMVQVBQ-CVEARBPZSA-N 1 1 295.471 2.653 20 30 CFEDMO CC(C)[C@H]1[N@@H+](C[C@@H](C#N)CCC#N)CC12CCOCC2 ZINC000414184495 381569668 /nfs/dbraw/zinc/56/96/68/381569668.db2.gz NWLVPUQPXPRLEA-HUUCEWRRSA-N 1 1 275.396 2.567 20 30 CFEDMO C=C(Cl)C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000298374251 381598553 /nfs/dbraw/zinc/59/85/53/381598553.db2.gz DBRJGLCICHGALE-CQSZACIVSA-N 1 1 251.757 2.553 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2Cn2cccn2)s1 ZINC000371372280 381604988 /nfs/dbraw/zinc/60/49/88/381604988.db2.gz GCSHBMSLSFAFLA-CYBMUJFWSA-N 1 1 286.404 2.871 20 30 CFEDMO C=CCOc1ccccc1C[N@H+]1CCCO[C@@H](CF)C1 ZINC000414475460 381586781 /nfs/dbraw/zinc/58/67/81/381586781.db2.gz HEKBULPIDUAEMI-HNNXBMFYSA-N 1 1 279.355 2.812 20 30 CFEDMO CCn1ccc(C[NH2+]Cc2cccc(OCCCC#N)c2)n1 ZINC000414489802 381588965 /nfs/dbraw/zinc/58/89/65/381588965.db2.gz ZIGSUNFTTQTZGZ-UHFFFAOYSA-N 1 1 298.390 2.875 20 30 CFEDMO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1 ZINC000414579951 381594834 /nfs/dbraw/zinc/59/48/34/381594834.db2.gz QHEZHDPWSIJRQE-ZBFHGGJFSA-N 1 1 275.392 2.844 20 30 CFEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CC2CCC1CC2 ZINC000371392677 381612598 /nfs/dbraw/zinc/61/25/98/381612598.db2.gz KQJFTICXZCZCEQ-UHFFFAOYSA-N 1 1 289.404 2.823 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000355117927 381623238 /nfs/dbraw/zinc/62/32/38/381623238.db2.gz ZIZMXFIQHXTFLS-ZFWWWQNUSA-N 1 1 256.349 2.941 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000348546718 381626315 /nfs/dbraw/zinc/62/63/15/381626315.db2.gz NHBMIZKLVIVJNM-NWDGAFQWSA-N 1 1 292.345 2.809 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(C#N)n1 ZINC000185420590 381628215 /nfs/dbraw/zinc/62/82/15/381628215.db2.gz FHJCYPZRMLNGCE-YOEHRIQHSA-N 1 1 292.386 2.886 20 30 CFEDMO CC(C)(C)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371464429 381634110 /nfs/dbraw/zinc/63/41/10/381634110.db2.gz RYYGWSJYUAVINJ-OAHLLOKOSA-N 1 1 258.365 2.978 20 30 CFEDMO CC(C)(C)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000371464429 381634118 /nfs/dbraw/zinc/63/41/18/381634118.db2.gz RYYGWSJYUAVINJ-OAHLLOKOSA-N 1 1 258.365 2.978 20 30 CFEDMO C=CCOc1ccc(CN2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000348556820 381634187 /nfs/dbraw/zinc/63/41/87/381634187.db2.gz PWGPGOPCXJXMQH-OAHLLOKOSA-N 1 1 274.408 2.777 20 30 CFEDMO CC(C)C[N@@H+](CCCCO)Cc1ccc(C#N)cc1 ZINC000343015923 381649982 /nfs/dbraw/zinc/64/99/82/381649982.db2.gz SBDUYXRNNQOLOT-UHFFFAOYSA-N 1 1 260.381 2.789 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CN2CC[C@H]3CC[N@@H+](C)[C@H]3C2)cc1 ZINC000371490458 381642672 /nfs/dbraw/zinc/64/26/72/381642672.db2.gz WZAYZGJUAIFERZ-KYJSFNMBSA-N 1 1 299.418 2.503 20 30 CFEDMO C=C(CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)c1ccccc1 ZINC000291040829 381643818 /nfs/dbraw/zinc/64/38/18/381643818.db2.gz ZCURLJMXFIJPEQ-INIZCTEOSA-N 1 1 295.386 2.584 20 30 CFEDMO C=CCN(C(=O)CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371591655 381662542 /nfs/dbraw/zinc/66/25/42/381662542.db2.gz VNWFWHHELZVCSC-INIZCTEOSA-N 1 1 272.392 2.686 20 30 CFEDMO CC[C@H]1C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H]1O ZINC000355190280 381664461 /nfs/dbraw/zinc/66/44/61/381664461.db2.gz PNLLKDCJKAWMEB-DOTOQJQBSA-N 1 1 288.391 2.572 20 30 CFEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000343320315 381673590 /nfs/dbraw/zinc/67/35/90/381673590.db2.gz CLRAAQWFTDFCSZ-AWEZNQCLSA-N 1 1 287.382 2.808 20 30 CFEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCC2(C1)CCCCCC2 ZINC000371862641 381711859 /nfs/dbraw/zinc/71/18/59/381711859.db2.gz GKOKUNIRZNOOFK-HNNXBMFYSA-N 1 1 291.439 2.793 20 30 CFEDMO CC[N@H+](Cc1cc(C#N)ccc1F)C[C@@H](C)OC ZINC000291225651 381713232 /nfs/dbraw/zinc/71/32/32/381713232.db2.gz LWTJKWIXUDNUPK-LLVKDONJSA-N 1 1 250.317 2.554 20 30 CFEDMO CC[N@@H+](CC1CCN(c2ccccn2)CC1)CC1(C#N)CC1 ZINC000343322405 381674703 /nfs/dbraw/zinc/67/47/03/381674703.db2.gz QHYXKKAHSLRTNG-UHFFFAOYSA-N 1 1 298.434 2.924 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC2(C#N)CC2)C1 ZINC000343312779 381675136 /nfs/dbraw/zinc/67/51/36/381675136.db2.gz CVTRXDVXBICUQV-HZPDHXFCSA-N 1 1 275.440 2.877 20 30 CFEDMO CO[C@@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)CC1 ZINC000371737499 381690142 /nfs/dbraw/zinc/69/01/42/381690142.db2.gz UXGUSZRGNUIDSD-OAHLLOKOSA-N 1 1 283.375 2.812 20 30 CFEDMO C=CCN(CC=C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000298649289 381700039 /nfs/dbraw/zinc/70/00/39/381700039.db2.gz LLGMJMDXZHFRHE-KRWDZBQOSA-N 1 1 299.418 2.645 20 30 CFEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000298745228 381734357 /nfs/dbraw/zinc/73/43/57/381734357.db2.gz KRZDGTRBGZSCDX-UHFFFAOYSA-N 1 1 292.386 2.666 20 30 CFEDMO C[N@@H+](CC[C@H]1CCCO1)Cc1ccc(C#N)s1 ZINC000343471976 381737143 /nfs/dbraw/zinc/73/71/43/381737143.db2.gz PYTORBVFBCJTLU-LLVKDONJSA-N 1 1 250.367 2.621 20 30 CFEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CCC(=O)N(C)CCC#N ZINC000185806527 381739749 /nfs/dbraw/zinc/73/97/49/381739749.db2.gz FNFPCNRXUIXSOP-QGZVFWFLSA-N 1 1 299.418 2.585 20 30 CFEDMO Cc1c(Cl)cnc(N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C#N ZINC000343478388 381741480 /nfs/dbraw/zinc/74/14/80/381741480.db2.gz QPBRWUOIBIIWEJ-ZYHUDNBSSA-N 1 1 292.814 2.834 20 30 CFEDMO CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](C)C(C)C ZINC000348869018 381746801 /nfs/dbraw/zinc/74/68/01/381746801.db2.gz WEKQFVPVETWFJI-CQSZACIVSA-N 1 1 287.407 2.541 20 30 CFEDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000372109756 381754082 /nfs/dbraw/zinc/75/40/82/381754082.db2.gz VPDFNSCNULAUAB-HNNXBMFYSA-N 1 1 288.391 2.815 20 30 CFEDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000372109757 381754182 /nfs/dbraw/zinc/75/41/82/381754182.db2.gz VPDFNSCNULAUAB-OAHLLOKOSA-N 1 1 288.391 2.815 20 30 CFEDMO CC(C)[N@@H+](C)CCCNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000360004816 381722217 /nfs/dbraw/zinc/72/22/17/381722217.db2.gz XXIPGNDLCLTUTM-CQSZACIVSA-N 1 1 287.407 2.508 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1cc(C(=O)OC)c(C)n1C ZINC000291251613 381724839 /nfs/dbraw/zinc/72/48/39/381724839.db2.gz RLMVDCWEEISXKT-UHFFFAOYSA-N 1 1 264.369 2.518 20 30 CFEDMO C=CCOc1ccccc1C(=O)NCCCn1cc[nH+]c1C ZINC000298934801 381783338 /nfs/dbraw/zinc/78/33/38/381783338.db2.gz GDOMHUMMAHOZOJ-UHFFFAOYSA-N 1 1 299.374 2.576 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2ncccc2C#N)C1 ZINC000372296422 381787551 /nfs/dbraw/zinc/78/75/51/381787551.db2.gz DMBSYOOFSOIAMF-HNNXBMFYSA-N 1 1 264.332 2.552 20 30 CFEDMO N#CC1(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000343559472 381795640 /nfs/dbraw/zinc/79/56/40/381795640.db2.gz DMVCINDQCUMCJT-MRXNPFEDSA-N 1 1 284.359 2.802 20 30 CFEDMO C[N@H+]1CC[C@]2(CCN(c3ccc(Cl)cc3C#N)C2)C1 ZINC000292225679 381796092 /nfs/dbraw/zinc/79/60/92/381796092.db2.gz IMSHLNIIYYUXBU-HNNXBMFYSA-N 1 1 275.783 2.744 20 30 CFEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H](O)COC(C)C ZINC000298833016 381760053 /nfs/dbraw/zinc/76/00/53/381760053.db2.gz ALHFBBALGQTHJF-OAHLLOKOSA-N 1 1 281.371 2.600 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)COC(C)C ZINC000298833016 381760059 /nfs/dbraw/zinc/76/00/59/381760059.db2.gz ALHFBBALGQTHJF-OAHLLOKOSA-N 1 1 281.371 2.600 20 30 CFEDMO Cc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1[N+](=O)[O-] ZINC000343562316 381799066 /nfs/dbraw/zinc/79/90/66/381799066.db2.gz JVEHOFCDZGJOQB-LLVKDONJSA-N 1 1 259.309 2.858 20 30 CFEDMO COC(=O)c1ccccc1CC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000360129289 381766804 /nfs/dbraw/zinc/76/68/04/381766804.db2.gz CKTPKHFLJIGZCF-ZDUSSCGKSA-N 1 1 286.375 2.640 20 30 CFEDMO COC(=O)c1ccccc1CC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000360129289 381766807 /nfs/dbraw/zinc/76/68/07/381766807.db2.gz CKTPKHFLJIGZCF-ZDUSSCGKSA-N 1 1 286.375 2.640 20 30 CFEDMO COC(=O)[C@H](C)C[N@@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000343522764 381771112 /nfs/dbraw/zinc/77/11/12/381771112.db2.gz HDQJKJPBMAAKPR-CYBMUJFWSA-N 1 1 286.375 2.526 20 30 CFEDMO CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(C)(C#N)CC1 ZINC000360214548 381772182 /nfs/dbraw/zinc/77/21/82/381772182.db2.gz WMZZSBFFCIPJCF-ZDUSSCGKSA-N 1 1 266.385 2.590 20 30 CFEDMO N#CCc1ccc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000343529183 381776699 /nfs/dbraw/zinc/77/66/99/381776699.db2.gz MFLBGDWTPBMSIG-UONOGXRCSA-N 1 1 298.308 2.640 20 30 CFEDMO CO[C@@H](C)C[N@@H+](Cc1ccc(CC#N)cc1)C(C)C ZINC000343532196 381778813 /nfs/dbraw/zinc/77/88/13/381778813.db2.gz OZFZCQKSMMETLZ-AWEZNQCLSA-N 1 1 260.381 2.998 20 30 CFEDMO C[N@H+]1CC[C@@]2(CCN(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000292348161 381799959 /nfs/dbraw/zinc/79/99/59/381799959.db2.gz QMDFPXXIJYRBFB-OAHLLOKOSA-N 1 1 275.783 2.744 20 30 CFEDMO Cc1[nH+]ccn1CCCCNc1ccc(C#N)c(C)n1 ZINC000291855619 381779501 /nfs/dbraw/zinc/77/95/01/381779501.db2.gz HNSMBHMPYNWYBE-UHFFFAOYSA-N 1 1 269.352 2.659 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC000343563152 381800054 /nfs/dbraw/zinc/80/00/54/381800054.db2.gz GGUGFJICWCIDLM-ZFWWWQNUSA-N 1 1 252.402 2.579 20 30 CFEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccc(C#N)cn2)C1 ZINC000360473393 381780983 /nfs/dbraw/zinc/78/09/83/381780983.db2.gz RZBBREXQSGTRLT-KRWDZBQOSA-N 1 1 292.386 2.664 20 30 CFEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc(C#N)cn2)C1 ZINC000360473394 381781024 /nfs/dbraw/zinc/78/10/24/381781024.db2.gz RZBBREXQSGTRLT-QGZVFWFLSA-N 1 1 292.386 2.664 20 30 CFEDMO C#CC[N@H+](CC)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000299151576 381844609 /nfs/dbraw/zinc/84/46/09/381844609.db2.gz FPPJVIVMFNZGOD-BBRMVZONSA-N 1 1 295.810 2.734 20 30 CFEDMO OC[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)CCC1(F)F ZINC000361413635 381827301 /nfs/dbraw/zinc/82/73/01/381827301.db2.gz FHBQUKCHGBLCDG-ZDUSSCGKSA-N 1 1 299.748 2.641 20 30 CFEDMO OC[C@@H]1C[N@@H+](CC#Cc2ccc(Cl)cc2)CCC1(F)F ZINC000361413635 381827303 /nfs/dbraw/zinc/82/73/03/381827303.db2.gz FHBQUKCHGBLCDG-ZDUSSCGKSA-N 1 1 299.748 2.641 20 30 CFEDMO CC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1CCCCC1 ZINC000349122823 381827591 /nfs/dbraw/zinc/82/75/91/381827591.db2.gz KQYYBHNKMIWWHY-UHFFFAOYSA-N 1 1 299.418 2.829 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000361465612 381832314 /nfs/dbraw/zinc/83/23/14/381832314.db2.gz DKAOHSUAIXXURZ-BBRMVZONSA-N 1 1 279.428 2.551 20 30 CFEDMO Cc1ncc(C[N@@H+](C)CCOc2ccccc2C#N)s1 ZINC000299067179 381811571 /nfs/dbraw/zinc/81/15/71/381811571.db2.gz OQIPKURUTAMDDU-UHFFFAOYSA-N 1 1 287.388 2.834 20 30 CFEDMO C=CCOc1ccc(C[N@H+](CC)[C@H]2CCOC2)cc1 ZINC000361235622 381813063 /nfs/dbraw/zinc/81/30/63/381813063.db2.gz DCHDLBDULHIJTR-HNNXBMFYSA-N 1 1 261.365 2.862 20 30 CFEDMO COc1cc(C)c([C@H](C)[NH2+]CC2(C#N)CC2)cc1OC ZINC000343579681 381813871 /nfs/dbraw/zinc/81/38/71/381813871.db2.gz DDWGCXYOLMDLID-LBPRGKRZSA-N 1 1 274.364 2.967 20 30 CFEDMO C=CC[N@@H+](CCOC)Cc1ccc(Cl)cc1OC ZINC000361333279 381819543 /nfs/dbraw/zinc/81/95/43/381819543.db2.gz ASQCALAEZVDFDR-UHFFFAOYSA-N 1 1 269.772 2.983 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1ccc(Cl)cc1OC ZINC000361333279 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C=C(C)CC[N@H+](C)CC(=O)Nc1nnc(CC(C)C)s1 ZINC000352348881 382284233 /nfs/dbraw/zinc/28/42/33/382284233.db2.gz GTCBAAIWBJGIJD-UHFFFAOYSA-N 1 1 296.440 2.573 20 30 CFEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCOC1 ZINC000345108562 382285574 /nfs/dbraw/zinc/28/55/74/382285574.db2.gz URUVHUCMOFXZFJ-INIZCTEOSA-N 1 1 256.349 2.583 20 30 CFEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000377534779 382285674 /nfs/dbraw/zinc/28/56/74/382285674.db2.gz XONOGFPDGLUUSR-INIZCTEOSA-N 1 1 256.349 2.811 20 30 CFEDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000344275701 382244979 /nfs/dbraw/zinc/24/49/79/382244979.db2.gz NVRAENRMVLVNOR-KRWDZBQOSA-N 1 1 272.392 2.851 20 30 CFEDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000344275703 382245783 /nfs/dbraw/zinc/24/57/83/382245783.db2.gz NVRAENRMVLVNOR-QGZVFWFLSA-N 1 1 272.392 2.851 20 30 CFEDMO C=CCC[N@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000363822666 382247917 /nfs/dbraw/zinc/24/79/17/382247917.db2.gz OVYBMYFAYOHBSN-AWEZNQCLSA-N 1 1 270.380 2.560 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C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000188026002 382327204 /nfs/dbraw/zinc/32/72/04/382327204.db2.gz QWYKUSPBIKBMRH-WBMJQRKESA-N 1 1 276.355 2.680 20 30 CFEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2cc(F)ccc2C#N)C1 ZINC000188025958 382327529 /nfs/dbraw/zinc/32/75/29/382327529.db2.gz QWYKUSPBIKBMRH-MLGOLLRUSA-N 1 1 276.355 2.680 20 30 CFEDMO C=C[C@H](C)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000346068570 382330559 /nfs/dbraw/zinc/33/05/59/382330559.db2.gz USXFAXXFZMBQIE-GXFFZTMASA-N 1 1 266.772 2.633 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346136154 382332178 /nfs/dbraw/zinc/33/21/78/382332178.db2.gz DSDMBSGTRQLYPW-KCYZZUKISA-N 1 1 278.440 2.777 20 30 CFEDMO C#CCC(C)(C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293929055 382340522 /nfs/dbraw/zinc/34/05/22/382340522.db2.gz PNUNFFYMAYZSSU-UHFFFAOYSA-N 1 1 255.321 2.631 20 30 CFEDMO C=CCOCCC[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000352376436 382297388 /nfs/dbraw/zinc/29/73/88/382297388.db2.gz 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ZINC000378361154 382447545 /nfs/dbraw/zinc/44/75/45/382447545.db2.gz DQCOGVFTYHYYAI-OAHLLOKOSA-N 1 1 256.349 2.941 20 30 CFEDMO COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1ccc(C#N)o1 ZINC000365639039 382428855 /nfs/dbraw/zinc/42/88/55/382428855.db2.gz UHCVQIJQJUOOEI-HNNXBMFYSA-N 1 1 284.315 2.773 20 30 CFEDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1ccc(CC#N)cc1 ZINC000352675770 382447925 /nfs/dbraw/zinc/44/79/25/382447925.db2.gz FIGCKJVLHQAOJQ-NNPSNHGLSA-N 1 1 282.387 2.608 20 30 CFEDMO C#Cc1cccc(N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000365793074 382445077 /nfs/dbraw/zinc/44/50/77/382445077.db2.gz DHSXBMYTELEXCH-ZYSHUDEJSA-N 1 1 298.430 2.969 20 30 CFEDMO N#Cc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)ccc1F ZINC000365815846 382450919 /nfs/dbraw/zinc/45/09/19/382450919.db2.gz LGGLXENSCTYMGE-OCCSQVGLSA-N 1 1 287.338 2.510 20 30 CFEDMO N#Cc1ccccc1OCC[N@H+]1CC2CCC1CC2 ZINC000378383592 382451071 /nfs/dbraw/zinc/45/10/71/382451071.db2.gz KLPAOMCCGRUAME-UHFFFAOYSA-N 1 1 256.349 2.811 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000378462598 382466218 /nfs/dbraw/zinc/46/62/18/382466218.db2.gz YLSBXMNXGNCQCG-XOKHGSTOSA-N 1 1 269.392 2.645 20 30 CFEDMO C=CCCCCC[N@@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352902060 382480959 /nfs/dbraw/zinc/48/09/59/382480959.db2.gz ZHPAWJGOCQGHJD-JJRVBVJISA-N 1 1 257.443 2.964 20 30 CFEDMO C=CCOc1ccccc1CN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000352929090 382483390 /nfs/dbraw/zinc/48/33/90/382483390.db2.gz GCCVSMDGJXDUDJ-DOTOQJQBSA-N 1 1 286.419 2.777 20 30 CFEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000352929090 382483392 /nfs/dbraw/zinc/48/33/92/382483392.db2.gz GCCVSMDGJXDUDJ-DOTOQJQBSA-N 1 1 286.419 2.777 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000352929090 382483396 /nfs/dbraw/zinc/48/33/96/382483396.db2.gz GCCVSMDGJXDUDJ-DOTOQJQBSA-N 1 1 286.419 2.777 20 30 CFEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)[C@@H](C)COC ZINC000352916384 382483806 /nfs/dbraw/zinc/48/38/06/382483806.db2.gz 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C=CC[C@@H]1[N@@H+](CCC(=O)N(C)C)CCCC1(C)C ZINC000444773814 382981260 /nfs/dbraw/zinc/98/12/60/382981260.db2.gz GBCXRGWWLJEADA-ZDUSSCGKSA-N 1 1 252.402 2.531 20 30 CFEDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000444773577 382981302 /nfs/dbraw/zinc/98/13/02/382981302.db2.gz DYHSJAZVZLMGFF-QGZVFWFLSA-N 1 1 272.392 2.880 20 30 CFEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1(C#N)CCCC1 ZINC000338438132 383017343 /nfs/dbraw/zinc/01/73/43/383017343.db2.gz HVUREDWSUFDICD-HNNXBMFYSA-N 1 1 291.439 2.841 20 30 CFEDMO CC#CCC[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000495442174 382988729 /nfs/dbraw/zinc/98/87/29/382988729.db2.gz CFHPDSQVGVRWLT-KRWDZBQOSA-N 1 1 292.423 2.733 20 30 CFEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccncc1F ZINC000338341122 382995180 /nfs/dbraw/zinc/99/51/80/382995180.db2.gz DOFZXRJQDPBSIP-LLVKDONJSA-N 1 1 285.322 2.952 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000579349181 383006017 /nfs/dbraw/zinc/00/60/17/383006017.db2.gz DLQXRRNTXNNKNV-HZSPNIEDSA-N 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/nfs/dbraw/zinc/42/80/51/385428051.db2.gz LOGDOKSVSIHPLK-VBNZEHGJSA-N 1 1 289.448 2.597 20 30 CFEDMO CS[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1N(C)C ZINC000272021267 385428056 /nfs/dbraw/zinc/42/80/56/385428056.db2.gz LOGDOKSVSIHPLK-VBNZEHGJSA-N 1 1 289.448 2.597 20 30 CFEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@H]1O ZINC000272336848 385513506 /nfs/dbraw/zinc/51/35/06/385513506.db2.gz ODKFAEVOMDHYHZ-HZPDHXFCSA-N 1 1 272.392 2.787 20 30 CFEDMO C=C(C)CN1CCC([NH2+]Cc2cn3cc(C)ccc3n2)CC1 ZINC000284050310 385529027 /nfs/dbraw/zinc/52/90/27/385529027.db2.gz SHMSFEGUJMNRJO-UHFFFAOYSA-N 1 1 298.434 2.773 20 30 CFEDMO C=CC[N@H+](Cc1ccccc1)[C@H]1CCN(C2CCC2)C1=O ZINC000639440829 385530184 /nfs/dbraw/zinc/53/01/84/385530184.db2.gz ZAMYTAZKTPJUNM-KRWDZBQOSA-N 1 1 284.403 2.828 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1)[C@H]1CCN(C2CCC2)C1=O ZINC000639440829 385530190 /nfs/dbraw/zinc/53/01/90/385530190.db2.gz ZAMYTAZKTPJUNM-KRWDZBQOSA-N 1 1 284.403 2.828 20 30 CFEDMO Cc1cc(C#N)nc(NCCCC[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000286429896 385619133 /nfs/dbraw/zinc/61/91/33/385619133.db2.gz PWPXWGXSSPDYMM-CYBMUJFWSA-N 1 1 287.411 2.581 20 30 CFEDMO C=CCOc1cccc(C[N@@H+](C)CCc2cnccn2)c1 ZINC000272856158 385633878 /nfs/dbraw/zinc/63/38/78/385633878.db2.gz TYDVSASOLLTMIV-UHFFFAOYSA-N 1 1 283.375 2.716 20 30 CFEDMO C=CC[C@H]1[N@H+](C[C@@H]2CCc3ncnn32)CCCC1(C)C ZINC000639612142 385610886 /nfs/dbraw/zinc/61/08/86/385610886.db2.gz LRIIYRXUMCVEIT-UONOGXRCSA-N 1 1 274.412 2.832 20 30 CFEDMO C=C(C)C[NH+]1CCC(Cc2nnc(C(C)C)[nH]2)CC1 ZINC000639717715 385680685 /nfs/dbraw/zinc/68/06/85/385680685.db2.gz FZYDZWUTILGKMO-UHFFFAOYSA-N 1 1 262.401 2.759 20 30 CFEDMO C=C(C)C[NH+]1CCC(Cc2n[nH]c(C(C)C)n2)CC1 ZINC000639717715 385680689 /nfs/dbraw/zinc/68/06/89/385680689.db2.gz FZYDZWUTILGKMO-UHFFFAOYSA-N 1 1 262.401 2.759 20 30 CFEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1OCC)C1CC1 ZINC000274022391 385701267 /nfs/dbraw/zinc/70/12/67/385701267.db2.gz CGOXTWMKHUQXEZ-UHFFFAOYSA-N 1 1 286.375 2.512 20 30 CFEDMO CC#CCC[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000274043138 385706912 /nfs/dbraw/zinc/70/69/12/385706912.db2.gz DTDUDSDLHFSRHB-UHFFFAOYSA-N 1 1 284.403 2.636 20 30 CFEDMO C=CCC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639790638 385710962 /nfs/dbraw/zinc/71/09/62/385710962.db2.gz JIOOLUXZASXIEW-AWEZNQCLSA-N 1 1 253.349 2.995 20 30 CFEDMO CO[C@H](C)C[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000286894189 385732448 /nfs/dbraw/zinc/73/24/48/385732448.db2.gz LJMRVFJCWBMDQM-SNVBAGLBSA-N 1 1 297.196 2.787 20 30 CFEDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000286894189 385732455 /nfs/dbraw/zinc/73/24/55/385732455.db2.gz LJMRVFJCWBMDQM-SNVBAGLBSA-N 1 1 297.196 2.787 20 30 CFEDMO C[C@H]1C[C@@H](Nc2cc(C#N)ccc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000274248388 385748011 /nfs/dbraw/zinc/74/80/11/385748011.db2.gz JEEMNQCMWINERU-CMPLNLGQSA-N 1 1 286.335 2.504 20 30 CFEDMO CC#CCCCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274293729 385758080 /nfs/dbraw/zinc/75/80/80/385758080.db2.gz CHTNYGSEOYAVKL-SFHVURJKSA-N 1 1 298.430 2.913 20 30 CFEDMO CC#CCCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274293725 385758142 /nfs/dbraw/zinc/75/81/42/385758142.db2.gz CHTNYGSEOYAVKL-GOSISDBHSA-N 1 1 298.430 2.913 20 30 CFEDMO C=CCCCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000274648988 385840660 /nfs/dbraw/zinc/84/06/60/385840660.db2.gz DUCVUQWPPYVYKW-HNNXBMFYSA-N 1 1 260.381 2.762 20 30 CFEDMO C[C@@H](C#N)C[N@H+](C[C@H](O)CCc1ccccc1)C1CC1 ZINC000347488562 533149529 /nfs/dbraw/zinc/14/95/29/533149529.db2.gz NJASEPIUBQASAZ-WMLDXEAASA-N 1 1 272.392 2.604 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](C[C@H](O)CCc1ccccc1)C1CC1 ZINC000347488562 533149537 /nfs/dbraw/zinc/14/95/37/533149537.db2.gz NJASEPIUBQASAZ-WMLDXEAASA-N 1 1 272.392 2.604 20 30 CFEDMO C=C(C)CC[N@@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000274837159 385881174 /nfs/dbraw/zinc/88/11/74/385881174.db2.gz NUCLQJZYXNWQKC-MRXNPFEDSA-N 1 1 273.376 2.926 20 30 CFEDMO C=C(C)CC[N@H+]1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000274837159 385881177 /nfs/dbraw/zinc/88/11/77/385881177.db2.gz NUCLQJZYXNWQKC-MRXNPFEDSA-N 1 1 273.376 2.926 20 30 CFEDMO C=CC[N@@H+](C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000276414979 385987148 /nfs/dbraw/zinc/98/71/48/385987148.db2.gz MZGXGOGHZMCNMV-HNNXBMFYSA-N 1 1 272.392 2.835 20 30 CFEDMO C=CC[N@H+](C)[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O ZINC000276414979 385987158 /nfs/dbraw/zinc/98/71/58/385987158.db2.gz MZGXGOGHZMCNMV-HNNXBMFYSA-N 1 1 272.392 2.835 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000276348203 385988063 /nfs/dbraw/zinc/98/80/63/385988063.db2.gz DBIWZYHOMVKVJM-UHFFFAOYSA-N 1 1 276.405 2.633 20 30 CFEDMO C=CCC[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000276511506 385990173 /nfs/dbraw/zinc/99/01/73/385990173.db2.gz XPIBXZIXRVHTKC-INIZCTEOSA-N 1 1 283.375 2.562 20 30 CFEDMO Cn1cc(C[N@H+]2CC[C@H](COc3ccccc3)C2)cc1C#N ZINC000276721892 386025657 /nfs/dbraw/zinc/02/56/57/386025657.db2.gz FMXJTRUVXQXGHR-HNNXBMFYSA-N 1 1 295.386 2.798 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)CC12CCC2 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C=C(C)CN1CCC([NH2+]Cc2cn(C(C)C)nc2C)CC1 ZINC000281502333 195267779 /nfs/dbraw/zinc/26/77/79/195267779.db2.gz WSXRBMBGRSSMEX-UHFFFAOYSA-N 1 1 290.455 2.903 20 30 CFEDMO C=CCC[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000681726851 542482230 /nfs/dbraw/zinc/48/22/30/542482230.db2.gz KQPPTOGVHBZQDX-DLBZAZTESA-N 1 1 286.419 2.947 20 30 CFEDMO C=C(CC)C[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682039079 542509434 /nfs/dbraw/zinc/50/94/34/542509434.db2.gz FYLYSMNFPXEVGE-NSHDSACASA-N 1 1 251.292 2.996 20 30 CFEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)[C@H](C)C1 ZINC000281617297 195310568 /nfs/dbraw/zinc/31/05/68/195310568.db2.gz HCVREGYMGUVCPH-RISCZKNCSA-N 1 1 262.328 2.697 20 30 CFEDMO COc1cc(CNC[C@H]2CCCC[N@@H+]2C2CC2)ccc1C#N ZINC000281655497 195323963 /nfs/dbraw/zinc/32/39/63/195323963.db2.gz KIYMVGHFQQUPGH-QGZVFWFLSA-N 1 1 299.418 2.673 20 30 CFEDMO COc1cc(CNC[C@H]2CCCC[N@H+]2C2CC2)ccc1C#N ZINC000281655497 195323965 /nfs/dbraw/zinc/32/39/65/195323965.db2.gz KIYMVGHFQQUPGH-QGZVFWFLSA-N 1 1 299.418 2.673 20 30 CFEDMO C=C(Br)C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000281703125 195344790 /nfs/dbraw/zinc/34/47/90/195344790.db2.gz NWOXNNSXCQHPAZ-AWEZNQCLSA-N 1 1 296.208 2.709 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]([C@@H](C)c2ccccc2)C2CC2)C1=O ZINC000281638256 195317109 /nfs/dbraw/zinc/31/71/09/195317109.db2.gz BVGQACLMNJNDOS-YOEHRIQHSA-N 1 1 284.403 2.999 20 30 CFEDMO C#CCn1ccc(C[N@H+](CC)C[C@H](OC)c2ccccc2)n1 ZINC000283171536 195809590 /nfs/dbraw/zinc/80/95/90/195809590.db2.gz PHZZXFNVIBQSJH-SFHVURJKSA-N 1 1 297.402 2.726 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](OC)c2ccccc2)n1 ZINC000283171536 195809591 /nfs/dbraw/zinc/80/95/91/195809591.db2.gz PHZZXFNVIBQSJH-SFHVURJKSA-N 1 1 297.402 2.726 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426484276 533497234 /nfs/dbraw/zinc/49/72/34/533497234.db2.gz FVMOTRZWZBXYTI-DZGCQCFKSA-N 1 1 256.349 2.941 20 30 CFEDMO COc1ccc(C[N@@H+](CCCC#N)[C@@H](CO)C(C)C)cc1 ZINC000352702504 533548509 /nfs/dbraw/zinc/54/85/09/533548509.db2.gz 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CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000421360177 394199791 /nfs/dbraw/zinc/19/97/91/394199791.db2.gz YQKGUXKXJTXBFD-CYBMUJFWSA-N 1 1 277.387 2.907 20 30 CFEDMO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421360177 394199792 /nfs/dbraw/zinc/19/97/92/394199792.db2.gz YQKGUXKXJTXBFD-CYBMUJFWSA-N 1 1 277.387 2.907 20 30 CFEDMO CC(C)[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000134980036 394207648 /nfs/dbraw/zinc/20/76/48/394207648.db2.gz WBENEBDEEVXASJ-HNNXBMFYSA-N 1 1 285.391 2.865 20 30 CFEDMO CC(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000134980507 394207895 /nfs/dbraw/zinc/20/78/95/394207895.db2.gz XAFFVYPHFYJYOA-OAHLLOKOSA-N 1 1 285.391 2.865 20 30 CFEDMO C[N@@H+]1CCCC(C)(C)[C@H]1CNCc1ccc(C#N)c(F)c1 ZINC000421378202 394209582 /nfs/dbraw/zinc/20/95/82/394209582.db2.gz GMBASGUUUCNFJH-MRXNPFEDSA-N 1 1 289.398 2.907 20 30 CFEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNCc1ccc(C#N)c(F)c1 ZINC000421378202 394209586 /nfs/dbraw/zinc/20/95/86/394209586.db2.gz 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/nfs/dbraw/zinc/01/71/27/260017127.db2.gz BUVNHSIIZQREOG-OAHLLOKOSA-N 1 1 299.418 2.517 20 30 CFEDMO C=C(C)[C@H]([NH2+]CC(=O)NCCC)c1ccc(F)c(F)c1 ZINC000187768917 260057096 /nfs/dbraw/zinc/05/70/96/260057096.db2.gz QOZSCOHALOPOJJ-HNNXBMFYSA-N 1 1 282.334 2.698 20 30 CFEDMO C#C[C@@H](CC)[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000229898185 260142473 /nfs/dbraw/zinc/14/24/73/260142473.db2.gz VNEXJUXULBUWLO-NSHDSACASA-N 1 1 257.362 2.707 20 30 CFEDMO C#CCOc1ccccc1CNCC[N@@H+]1CCCC[C@@H]1C ZINC000067672179 260144236 /nfs/dbraw/zinc/14/42/36/260144236.db2.gz SURQGKMRSWWDRQ-INIZCTEOSA-N 1 1 286.419 2.663 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]CCN1CCCC[C@@H]1C ZINC000067672179 260144238 /nfs/dbraw/zinc/14/42/38/260144238.db2.gz SURQGKMRSWWDRQ-INIZCTEOSA-N 1 1 286.419 2.663 20 30 CFEDMO CCCCC(N)=[NH+]OCC(=O)Nc1ccc(C)cc1C ZINC000049066216 260203654 /nfs/dbraw/zinc/20/36/54/260203654.db2.gz HGJSLTBLXDOQFR-UHFFFAOYSA-N 1 1 277.368 2.721 20 30 CFEDMO C=CCCCC[C@H](C)[NH2+]C[C@H](O)CN1CCC(C)CC1 ZINC000449125141 260232415 /nfs/dbraw/zinc/23/24/15/260232415.db2.gz RWMAYBQWRITVRQ-IRXDYDNUSA-N 1 1 282.472 2.804 20 30 CFEDMO C[N@H+](CCc1ccc(F)cc1)C[C@H](C#N)CCC#N ZINC000066483775 260246083 /nfs/dbraw/zinc/24/60/83/260246083.db2.gz NIWXSBKZUXZIHJ-AWEZNQCLSA-N 1 1 259.328 2.744 20 30 CFEDMO C[N@@H+](CCc1ccc(F)cc1)C[C@H](C#N)CCC#N ZINC000066483775 260246084 /nfs/dbraw/zinc/24/60/84/260246084.db2.gz NIWXSBKZUXZIHJ-AWEZNQCLSA-N 1 1 259.328 2.744 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1cnc(C)n1-c1ccccc1 ZINC000092129028 260267501 /nfs/dbraw/zinc/26/75/01/260267501.db2.gz AGDJKUFUQKSWBE-CQSZACIVSA-N 1 1 268.364 2.963 20 30 CFEDMO C[N@@H+](CCCCC#N)Cc1ccc(N2CCOCC2)cc1 ZINC000071124025 260271923 /nfs/dbraw/zinc/27/19/23/260271923.db2.gz YNHQMBSRNJUUTN-UHFFFAOYSA-N 1 1 287.407 2.649 20 30 CFEDMO CCC(CC)C[N@H+](CCC#N)Cc1cccc(C(N)=O)c1 ZINC000072692851 260277510 /nfs/dbraw/zinc/27/75/10/260277510.db2.gz RTZQUVOMVKVSIY-UHFFFAOYSA-N 1 1 287.407 2.937 20 30 CFEDMO CCC(CC)C[N@@H+](CCC#N)Cc1cccc(C(N)=O)c1 ZINC000072692851 260277512 /nfs/dbraw/zinc/27/75/12/260277512.db2.gz RTZQUVOMVKVSIY-UHFFFAOYSA-N 1 1 287.407 2.937 20 30 CFEDMO C[C@H]1C[C@@H](NCC2(C#N)CC2)C[N@H+](Cc2ccccc2)C1 ZINC000518053154 260339473 /nfs/dbraw/zinc/33/94/73/260339473.db2.gz SFJJYYVBOOSLQD-DOTOQJQBSA-N 1 1 283.419 2.790 20 30 CFEDMO C[C@H]1C[C@@H](NCC2(C#N)CC2)C[N@@H+](Cc2ccccc2)C1 ZINC000518053154 260339475 /nfs/dbraw/zinc/33/94/75/260339475.db2.gz SFJJYYVBOOSLQD-DOTOQJQBSA-N 1 1 283.419 2.790 20 30 CFEDMO C[C@@H](CNC1CC(C#N)(c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000126732330 260356749 /nfs/dbraw/zinc/35/67/49/260356749.db2.gz AKUSAHOMANROFQ-NXVRBGIVSA-N 1 1 283.419 2.683 20 30 CFEDMO C[C@H](CNC1CC(C#N)(c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000126732523 260356882 /nfs/dbraw/zinc/35/68/82/260356882.db2.gz AKUSAHOMANROFQ-MXWWQKGMSA-N 1 1 283.419 2.683 20 30 CFEDMO C=C(C)CN1CCC([NH2+]Cc2ccccc2F)CC1 ZINC000106245763 260630986 /nfs/dbraw/zinc/63/09/86/260630986.db2.gz ZPCIYKNONQVHJE-UHFFFAOYSA-N 1 1 262.372 2.956 20 30 CFEDMO Cn1cc(Cl)cc1C[N@@H+](C)CCCSCC#N ZINC000120201786 260701113 /nfs/dbraw/zinc/70/11/13/260701113.db2.gz WXNDVAHQGARWBX-UHFFFAOYSA-N 1 1 271.817 2.757 20 30 CFEDMO CC(C)[C@@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000247201594 260867559 /nfs/dbraw/zinc/86/75/59/260867559.db2.gz TXQZDNNGQDKFMM-GOEBONIOSA-N 1 1 279.428 2.551 20 30 CFEDMO C=CC[C@H](C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000428023621 260909441 /nfs/dbraw/zinc/90/94/41/260909441.db2.gz LXRALQMFKUYZNY-UXLLHSPISA-N 1 1 286.419 2.897 20 30 CFEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1(C#N)CCC1 ZINC000134617573 260914116 /nfs/dbraw/zinc/91/41/16/260914116.db2.gz NCDKMQLGPZIDAI-UHFFFAOYSA-N 1 1 299.418 2.837 20 30 CFEDMO N#CCc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000363616934 260951623 /nfs/dbraw/zinc/95/16/23/260951623.db2.gz YNMZHJHQDGKVBN-HZPDHXFCSA-N 1 1 298.390 2.501 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](C(C)C)C1 ZINC000444771821 261171764 /nfs/dbraw/zinc/17/17/64/261171764.db2.gz KTUXTEPAWOHSJI-HNNXBMFYSA-N 1 1 266.429 2.779 20 30 CFEDMO C#CC[N@@H+](CCC1OCCCO1)[C@@H]1CCc2ccccc21 ZINC000490800533 261210656 /nfs/dbraw/zinc/21/06/56/261210656.db2.gz TWXJCCPZRDIUJM-QGZVFWFLSA-N 1 1 285.387 2.762 20 30 CFEDMO C=CCCC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000102332593 261217298 /nfs/dbraw/zinc/21/72/98/261217298.db2.gz IWDPAFXFWTVKQX-AWEZNQCLSA-N 1 1 252.402 2.581 20 30 CFEDMO N#CCCC[NH2+][C@@H](CO)c1c(Cl)cccc1Cl ZINC000361538717 261326270 /nfs/dbraw/zinc/32/62/70/261326270.db2.gz DIEIEPZZTSENIQ-NSHDSACASA-N 1 1 273.163 2.920 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000491125289 261339690 /nfs/dbraw/zinc/33/96/90/261339690.db2.gz CSDSLAYGLKQJRZ-UHFFFAOYSA-N 1 1 278.440 2.615 20 30 CFEDMO C[C@H](N1CC[NH+](CCCC(C)(C)C#N)CC1)C(F)(F)F ZINC000178242750 261381567 /nfs/dbraw/zinc/38/15/67/261381567.db2.gz DLGNGDLGJGWANP-LBPRGKRZSA-N 1 1 291.361 2.885 20 30 CFEDMO Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)nc1C ZINC000313904599 261539394 /nfs/dbraw/zinc/53/93/94/261539394.db2.gz CLJOYTDSSOEHCC-UHFFFAOYSA-N 1 1 269.323 2.999 20 30 CFEDMO C[C@@H]1c2cccn2CC[N@H+]1CCOc1cccc(C#N)c1 ZINC000051499272 269863834 /nfs/dbraw/zinc/86/38/34/269863834.db2.gz AZLSTWAAGCWCRW-CQSZACIVSA-N 1 1 281.359 2.815 20 30 CFEDMO C[C@@H]1c2cccn2CC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000051499272 269863836 /nfs/dbraw/zinc/86/38/36/269863836.db2.gz AZLSTWAAGCWCRW-CQSZACIVSA-N 1 1 281.359 2.815 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000184085219 262007838 /nfs/dbraw/zinc/00/78/38/262007838.db2.gz YZDOZBKBRHKMTO-AWEZNQCLSA-N 1 1 271.368 2.794 20 30 CFEDMO N#CCCC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000367628376 262022352 /nfs/dbraw/zinc/02/23/52/262022352.db2.gz WNMWEHAWKCOOJO-OAHLLOKOSA-N 1 1 293.411 2.767 20 30 CFEDMO COc1cccc(-c2noc([C@@H](C)[NH2+]CCCC#N)n2)c1 ZINC000185120632 262042459 /nfs/dbraw/zinc/04/24/59/262042459.db2.gz UMQSOFHEQJXPQR-LLVKDONJSA-N 1 1 286.335 2.700 20 30 CFEDMO C[C@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309978736 262066039 /nfs/dbraw/zinc/06/60/39/262066039.db2.gz TUOKKYJLLZLQDR-WBVHZDCISA-N 1 1 299.418 2.565 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000364163883 262159715 /nfs/dbraw/zinc/15/97/15/262159715.db2.gz ACYKWVJGUPPCTL-BHYGNILZSA-N 1 1 286.419 2.803 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000364295648 262197165 /nfs/dbraw/zinc/19/71/65/262197165.db2.gz BIIBXPQWJGUXLI-INIZCTEOSA-N 1 1 272.392 2.686 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000364295648 262197167 /nfs/dbraw/zinc/19/71/67/262197167.db2.gz BIIBXPQWJGUXLI-INIZCTEOSA-N 1 1 272.392 2.686 20 30 CFEDMO C=CC[C@H](C)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000116945993 262198428 /nfs/dbraw/zinc/19/84/28/262198428.db2.gz RBIOWGLYUSOORC-CABCVRRESA-N 1 1 281.444 2.762 20 30 CFEDMO CN(C(=O)CC#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000364371226 262219765 /nfs/dbraw/zinc/21/97/65/262219765.db2.gz VYZRXZKZQZFERH-SJPCQFCGSA-N 1 1 297.402 2.554 20 30 CFEDMO C[C@@H]1[C@H](N2CCCC2)CC[N@H+]1CC(C)(C)CCC#N ZINC000367688429 262250815 /nfs/dbraw/zinc/25/08/15/262250815.db2.gz RWAHQHZGLULDGK-HUUCEWRRSA-N 1 1 263.429 2.875 20 30 CFEDMO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC(C)(C)CCC#N ZINC000367688429 262250816 /nfs/dbraw/zinc/25/08/16/262250816.db2.gz RWAHQHZGLULDGK-HUUCEWRRSA-N 1 1 263.429 2.875 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000364496094 262252699 /nfs/dbraw/zinc/25/26/99/262252699.db2.gz QLXLEHCNGGUBNB-OAHLLOKOSA-N 1 1 295.390 2.526 20 30 CFEDMO C=CC1CC[NH+](CC(=O)Nc2cc(C)ccc2OC)CC1 ZINC000111256878 262258288 /nfs/dbraw/zinc/25/82/88/262258288.db2.gz GESMNAAFFZYNEW-UHFFFAOYSA-N 1 1 288.391 2.840 20 30 CFEDMO C=CC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000111258470 262258979 /nfs/dbraw/zinc/25/89/79/262258979.db2.gz CPBLBGHWZVXMGR-UHFFFAOYSA-N 1 1 298.839 2.916 20 30 CFEDMO C#CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000365176903 262282672 /nfs/dbraw/zinc/28/26/72/262282672.db2.gz IZACDLKDODDRTI-CRAIPNDOSA-N 1 1 293.370 2.723 20 30 CFEDMO C=C(C)CN(CC)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160824190 262301302 /nfs/dbraw/zinc/30/13/02/262301302.db2.gz AMOSBKALOGTWKK-CQSZACIVSA-N 1 1 279.428 2.611 20 30 CFEDMO C=CCCO[C@@H](C)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000521411874 262315321 /nfs/dbraw/zinc/31/53/21/262315321.db2.gz MXRLAGTVAJXTBB-HNNXBMFYSA-N 1 1 296.455 2.546 20 30 CFEDMO Cc1nc(C[N@H+](C)CCCSCC#N)cs1 ZINC000336666171 262378331 /nfs/dbraw/zinc/37/83/31/262378331.db2.gz FVZJHAIGTVDELU-UHFFFAOYSA-N 1 1 255.412 2.530 20 30 CFEDMO Cc1nc(C[N@@H+](C)CCCSCC#N)cs1 ZINC000336666171 262378332 /nfs/dbraw/zinc/37/83/32/262378332.db2.gz FVZJHAIGTVDELU-UHFFFAOYSA-N 1 1 255.412 2.530 20 30 CFEDMO CC(C)N1CCC([N@H+](C)CCC(C)(C)C#N)CC1 ZINC000336707855 262382168 /nfs/dbraw/zinc/38/21/68/262382168.db2.gz JAAZGNDBWIURSC-UHFFFAOYSA-N 1 1 251.418 2.731 20 30 CFEDMO CC(C)N1CCC([N@@H+](C)CCC(C)(C)C#N)CC1 ZINC000336707855 262382169 /nfs/dbraw/zinc/38/21/69/262382169.db2.gz JAAZGNDBWIURSC-UHFFFAOYSA-N 1 1 251.418 2.731 20 30 CFEDMO C[C@@H]1CCC[C@H](CO)[N@H+]1CCCCC(C)(C)C#N ZINC000336784479 262394763 /nfs/dbraw/zinc/39/47/63/262394763.db2.gz QHRCPXJDZKICJT-ZIAGYGMSSA-N 1 1 252.402 2.942 20 30 CFEDMO CO[C@H](C)C[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336804481 262395781 /nfs/dbraw/zinc/39/57/81/262395781.db2.gz CZMVSMKJAOLLMD-FVQBIDKESA-N 1 1 258.365 2.793 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000336821466 262397651 /nfs/dbraw/zinc/39/76/51/262397651.db2.gz HXTXBOJWOGHRKO-HNNXBMFYSA-N 1 1 273.380 2.865 20 30 CFEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CCOC1 ZINC000336822978 262397782 /nfs/dbraw/zinc/39/77/82/262397782.db2.gz NSAHLISOSGOMAB-DJIMGWMZSA-N 1 1 270.376 2.795 20 30 CFEDMO C=CCOCC[N@@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000339059013 262590616 /nfs/dbraw/zinc/59/06/16/262590616.db2.gz AJHBYJHSKREHOB-GOEBONIOSA-N 1 1 261.365 2.651 20 30 CFEDMO C=CCOCC[N@H+]1[C@@H](C)COC[C@@H]1c1ccccc1 ZINC000339059013 262590617 /nfs/dbraw/zinc/59/06/17/262590617.db2.gz AJHBYJHSKREHOB-GOEBONIOSA-N 1 1 261.365 2.651 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000246726386 262676868 /nfs/dbraw/zinc/67/68/68/262676868.db2.gz HBTLQVBYPJMBDN-WBVHZDCISA-N 1 1 299.418 2.627 20 30 CFEDMO C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@H]1C ZINC000248367459 262689506 /nfs/dbraw/zinc/68/95/06/262689506.db2.gz UBXVFHNYEZDSQX-CABCVRRESA-N 1 1 285.391 2.664 20 30 CFEDMO N#CCSCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268281837 262950910 /nfs/dbraw/zinc/95/09/10/262950910.db2.gz POUOLIVJSBNLQK-KGLIPLIRSA-N 1 1 294.420 2.814 20 30 CFEDMO N#CCCC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000270442228 262988064 /nfs/dbraw/zinc/98/80/64/262988064.db2.gz JTERIUOYJRHQLB-AWEZNQCLSA-N 1 1 268.364 2.804 20 30 CFEDMO CC(C)(O)C[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000272123970 263002417 /nfs/dbraw/zinc/00/24/17/263002417.db2.gz ULZUKLZIWRQRMC-UHFFFAOYSA-N 1 1 260.381 2.953 20 30 CFEDMO CC1(C#N)CC[NH+](C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000272486964 263005191 /nfs/dbraw/zinc/00/51/91/263005191.db2.gz BSCYZDIMTSLDKV-CQSZACIVSA-N 1 1 280.318 2.624 20 30 CFEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000272487033 263005401 /nfs/dbraw/zinc/00/54/01/263005401.db2.gz BUHRPYIXQQPAFW-CVEARBPZSA-N 1 1 283.375 2.831 20 30 CFEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000272487033 263005402 /nfs/dbraw/zinc/00/54/02/263005402.db2.gz BUHRPYIXQQPAFW-CVEARBPZSA-N 1 1 283.375 2.831 20 30 CFEDMO C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272614068 263007542 /nfs/dbraw/zinc/00/75/42/263007542.db2.gz SUVXCPWWGPRNRX-CABCVRRESA-N 1 1 299.418 2.878 20 30 CFEDMO C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272614071 263007650 /nfs/dbraw/zinc/00/76/50/263007650.db2.gz SUVXCPWWGPRNRX-HUUCEWRRSA-N 1 1 299.418 2.878 20 30 CFEDMO Cc1[nH+]c2ccccc2c(N2CCO[C@H](C#N)C2)c1C ZINC000273270914 263014708 /nfs/dbraw/zinc/01/47/08/263014708.db2.gz BUUZROBYNLDYMH-CYBMUJFWSA-N 1 1 267.332 2.580 20 30 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274.364 2.917 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC#N)cc2)C[C@H]1C ZINC000340223613 263097769 /nfs/dbraw/zinc/09/77/69/263097769.db2.gz RENGBRYWSVVQCY-RHSMWYFYSA-N 1 1 299.418 2.697 20 30 CFEDMO C=C[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000340224053 263097829 /nfs/dbraw/zinc/09/78/29/263097829.db2.gz UMUKAWLWKRHXHZ-INMHGKMJSA-N 1 1 286.419 2.945 20 30 CFEDMO C=C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000340224051 263097914 /nfs/dbraw/zinc/09/79/14/263097914.db2.gz UMUKAWLWKRHXHZ-BFYDXBDKSA-N 1 1 286.419 2.945 20 30 CFEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCC[C@H]1O ZINC000286380432 263098244 /nfs/dbraw/zinc/09/82/44/263098244.db2.gz GQXMWFPFTZLBDE-HZPDHXFCSA-N 1 1 272.392 2.833 20 30 CFEDMO C[C@@H](CO)[N@@H+](Cc1ccc(OCC#N)cc1)C1CCCC1 ZINC000287981720 263103226 /nfs/dbraw/zinc/10/32/26/263103226.db2.gz ZZTJPDJTDFIQSI-AWEZNQCLSA-N 1 1 288.391 2.714 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292778289 263135153 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C=CC[N@H+](C)CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000121310059 263291864 /nfs/dbraw/zinc/29/18/64/263291864.db2.gz VTCHLBMSCGZGIG-UHFFFAOYSA-N 1 1 287.407 2.733 20 30 CFEDMO C=CC[N@@H+](C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000121279533 263292945 /nfs/dbraw/zinc/29/29/45/263292945.db2.gz COBOQNVXFZELTI-ZDUSSCGKSA-N 1 1 264.756 2.563 20 30 CFEDMO C=CC[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000121279533 263292946 /nfs/dbraw/zinc/29/29/46/263292946.db2.gz COBOQNVXFZELTI-ZDUSSCGKSA-N 1 1 264.756 2.563 20 30 CFEDMO C=CC[N@H+](C)Cc1ccc(OCc2nccn2C)cc1 ZINC000121258057 263292966 /nfs/dbraw/zinc/29/29/66/263292966.db2.gz OGCNAJAECVCIRH-UHFFFAOYSA-N 1 1 271.364 2.617 20 30 CFEDMO C=CC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1C ZINC000121390673 263294190 /nfs/dbraw/zinc/29/41/90/263294190.db2.gz BDMNHTZLLDKIKX-UHFFFAOYSA-N 1 1 252.745 2.705 20 30 CFEDMO C=CC[N@H+](C)CC(=O)Nc1cccc(Cl)c1C ZINC000121390673 263294191 /nfs/dbraw/zinc/29/41/91/263294191.db2.gz BDMNHTZLLDKIKX-UHFFFAOYSA-N 1 1 252.745 2.705 20 30 CFEDMO 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AVMPVGWPQSMYAL-HNNXBMFYSA-N 1 1 277.795 2.786 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000370494683 267324041 /nfs/dbraw/zinc/32/40/41/267324041.db2.gz INKHZVCDUWFAPZ-HOTGVXAUSA-N 1 1 291.439 2.971 20 30 CFEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)C2CCC2)C1 ZINC000370609646 267330789 /nfs/dbraw/zinc/33/07/89/267330789.db2.gz BTAFACPINZBXMR-HNNXBMFYSA-N 1 1 264.413 2.723 20 30 CFEDMO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)C2CCC2)C1 ZINC000370609647 267331088 /nfs/dbraw/zinc/33/10/88/267331088.db2.gz BTAFACPINZBXMR-OAHLLOKOSA-N 1 1 264.413 2.723 20 30 CFEDMO C#CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000370670714 267337754 /nfs/dbraw/zinc/33/77/54/267337754.db2.gz GMOBMLXXFFITFI-SZMVWBNQSA-N 1 1 298.430 2.976 20 30 CFEDMO C#CCOc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000370670714 267337757 /nfs/dbraw/zinc/33/77/57/267337757.db2.gz GMOBMLXXFFITFI-SZMVWBNQSA-N 1 1 298.430 2.976 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000370724990 267341960 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N#CC1(c2ccccn2)CC[NH+](Cc2ccccn2)CC1 ZINC000376734683 268012460 /nfs/dbraw/zinc/01/24/60/268012460.db2.gz BPALRCZWKBMKSH-UHFFFAOYSA-N 1 1 278.359 2.534 20 30 CFEDMO C#CCCOc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000377234634 268058267 /nfs/dbraw/zinc/05/82/67/268058267.db2.gz AOVUFOIVUIVWKL-QZTJIDSGSA-N 1 1 299.414 2.947 20 30 CFEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC1 ZINC000377250810 268060450 /nfs/dbraw/zinc/06/04/50/268060450.db2.gz OMFNLPQVGOWGJN-GDBMZVCRSA-N 1 1 288.391 2.978 20 30 CFEDMO N#Cc1cccc(NC[C@H]2CC[N@H+]2C2CCCCC2)n1 ZINC000528118625 268282478 /nfs/dbraw/zinc/28/24/78/268282478.db2.gz RIWKAFOMCVNETK-OAHLLOKOSA-N 1 1 270.380 2.772 20 30 CFEDMO CC[C@H](C)NC(=O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000193760557 270239808 /nfs/dbraw/zinc/23/98/08/270239808.db2.gz ADBOOECBVPFCJH-KBPBESRZSA-N 1 1 287.407 2.856 20 30 CFEDMO COc1nccnc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000418148744 274171015 /nfs/dbraw/zinc/17/10/15/274171015.db2.gz TZDRUDVPNYBXPH-OAHLLOKOSA-N 1 1 294.358 2.524 20 30 CFEDMO C[C@@H]1CN(c2nc(Cl)c(C#N)s2)CC[N@H+](C2CC2)C1 ZINC000294965847 274367713 /nfs/dbraw/zinc/36/77/13/274367713.db2.gz NUPPSDOOXZYKBG-VIFPVBQESA-N 1 1 296.827 2.589 20 30 CFEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000078460093 276001542 /nfs/dbraw/zinc/00/15/42/276001542.db2.gz DVPJCJLPQKOKTC-INIZCTEOSA-N 1 1 258.365 2.949 20 30 CFEDMO CC[NH+](CC)C[C@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000045690537 276333796 /nfs/dbraw/zinc/33/37/96/276333796.db2.gz OOTWTTRKAMZQSS-UONOGXRCSA-N 1 1 259.397 2.939 20 30 CFEDMO C[N@H+]1CC[C@@H](Nc2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000270304797 277138719 /nfs/dbraw/zinc/13/87/19/277138719.db2.gz QYKLTWBRXFZHAH-NVXWUHKLSA-N 1 1 278.359 2.811 20 30 CFEDMO C[N@H+]1CC[C@@]2(CCN(CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292098031 277160522 /nfs/dbraw/zinc/16/05/22/277160522.db2.gz HORIVPPFCUHHPJ-QGZVFWFLSA-N 1 1 288.822 2.719 20 30 CFEDMO CC(C)(C)[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000347062306 277230782 /nfs/dbraw/zinc/23/07/82/277230782.db2.gz VJWHYFMRWHDZIN-CQSZACIVSA-N 1 1 291.439 2.697 20 30 CFEDMO CC(C)(C)[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000361549677 277230956 /nfs/dbraw/zinc/23/09/56/277230956.db2.gz OYCCTPRHRGKDGN-CVEARBPZSA-N 1 1 299.418 2.843 20 30 CFEDMO CC(C)(C)[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000361549679 277230975 /nfs/dbraw/zinc/23/09/75/277230975.db2.gz OYCCTPRHRGKDGN-HZPDHXFCSA-N 1 1 299.418 2.843 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000347161710 278257286 /nfs/dbraw/zinc/25/72/86/278257286.db2.gz RUVYDRVAMGUZPA-GHMZBOCLSA-N 1 1 278.318 2.561 20 30 CFEDMO CC[C@H](N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(C#N)cc1 ZINC000423400846 288070485 /nfs/dbraw/zinc/07/04/85/288070485.db2.gz QKSPBLCOPKDPKE-VBNZEHGJSA-N 1 1 257.381 2.597 20 30 CFEDMO C[C@H](CCNc1cc(C#N)ccn1)[N@@H+](C)Cc1ccccc1 ZINC000342794734 279264825 /nfs/dbraw/zinc/26/48/25/279264825.db2.gz ZDQCNOCAWISZJI-OAHLLOKOSA-N 1 1 294.402 2.698 20 30 CFEDMO CC[C@H](c1ccccc1)[N@H+](CC(=O)NCC#N)CC(C)C ZINC000348138308 288156002 /nfs/dbraw/zinc/15/60/02/288156002.db2.gz IIPCUQOIHGKMAN-MRXNPFEDSA-N 1 1 287.407 2.735 20 30 CFEDMO C[C@]1(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CCCC[C@@H]1O ZINC000330215828 280152760 /nfs/dbraw/zinc/15/27/60/280152760.db2.gz HIXKSRPNMKUQFD-OFQRWUPVSA-N 1 1 280.412 2.511 20 30 CFEDMO Cc1cc(C)c(C#N)c(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000286454457 281132897 /nfs/dbraw/zinc/13/28/97/281132897.db2.gz SGEONJTXDDLSBP-YIONKMFJSA-N 1 1 284.407 2.632 20 30 CFEDMO CN(c1snc(Cl)c1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286212900 281132950 /nfs/dbraw/zinc/13/29/50/281132950.db2.gz BRGZKNHIFGAQIQ-ULKQDVFKSA-N 1 1 296.827 2.730 20 30 CFEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000400063387 281211767 /nfs/dbraw/zinc/21/17/67/281211767.db2.gz BWPSERDHXVRGRK-OAHLLOKOSA-N 1 1 283.375 2.619 20 30 CFEDMO CC[C@H]1C[N@H+]2CCC[C@H]2CN1c1ncc2c(c1C#N)CCC2 ZINC000425226271 288318400 /nfs/dbraw/zinc/31/84/00/288318400.db2.gz HKZFNWFOMICWIA-GJZGRUSLSA-N 1 1 296.418 2.505 20 30 CFEDMO CCCn1cc[nH+]c1CCCN(C)c1ccncc1C#N ZINC000557681703 281969550 /nfs/dbraw/zinc/96/95/50/281969550.db2.gz FDXJSTCOJFJOSZ-UHFFFAOYSA-N 1 1 283.379 2.629 20 30 CFEDMO N#Cc1ccc(C[NH+]2CCC(C(F)(F)F)CC2)nc1 ZINC000559639176 282008744 /nfs/dbraw/zinc/00/87/44/282008744.db2.gz ZEEYLPQIYXHFCU-UHFFFAOYSA-N 1 1 269.270 2.728 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1nncn1C ZINC000360840283 290006267 /nfs/dbraw/zinc/00/62/67/290006267.db2.gz MYXCZIKZBJWWBP-BLLLJJGKSA-N 1 1 295.390 2.805 20 30 CFEDMO C[N@@H+](CCc1ccncc1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000563210985 290118381 /nfs/dbraw/zinc/11/83/81/290118381.db2.gz IWIJRGPXVLLYHK-UHFFFAOYSA-N 1 1 296.330 2.536 20 30 CFEDMO CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000563893629 290181932 /nfs/dbraw/zinc/18/19/32/290181932.db2.gz CIVCEFDKWAGNKA-SFHVURJKSA-N 1 1 295.386 2.726 20 30 CFEDMO N#Cc1cnn2cc(C[N@H+]3CCC[C@@H]3C3CCCC3)cnc12 ZINC000564085333 290191961 /nfs/dbraw/zinc/19/19/61/290191961.db2.gz NLLKFNZHQUMBGT-MRXNPFEDSA-N 1 1 295.390 2.756 20 30 CFEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC1(C)CC1 ZINC000565684001 290317500 /nfs/dbraw/zinc/31/75/00/290317500.db2.gz OVVDZGXNYHMRPG-UHFFFAOYSA-N 1 1 258.365 2.807 20 30 CFEDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000336284238 523806179 /nfs/dbraw/zinc/80/61/79/523806179.db2.gz BBWXWLUNAPAXHY-ZDUSSCGKSA-N 1 1 250.367 2.621 20 30 CFEDMO C=CCOc1ccc(C[NH2+]CC2(C#N)CC2)cc1OC ZINC000583542102 328604138 /nfs/dbraw/zinc/60/41/38/328604138.db2.gz NVIKOQUAHLUIQY-UHFFFAOYSA-N 1 1 272.348 2.653 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@](C)(CC)C1 ZINC000531580280 328016429 /nfs/dbraw/zinc/01/64/29/328016429.db2.gz AATDOVILEODJJW-HNNXBMFYSA-N 1 1 252.402 2.533 20 30 CFEDMO C[C@H](C#N)C[N@H+](C)CCN1CCCc2ccccc21 ZINC000534134381 328035255 /nfs/dbraw/zinc/03/52/55/328035255.db2.gz JOWHDMKJDZJVDI-CQSZACIVSA-N 1 1 257.381 2.531 20 30 CFEDMO C[C@H](C#N)C[N@@H+](C)CCN1CCCc2ccccc21 ZINC000534134381 328035257 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Cc1ccc(C#N)c(NCC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000161716913 322355933 /nfs/dbraw/zinc/35/59/33/322355933.db2.gz TWSFPTWPBMRTSV-UHFFFAOYSA-N 1 1 298.365 2.945 20 30 CFEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCn2ccnc21 ZINC000571752257 322594840 /nfs/dbraw/zinc/59/48/40/322594840.db2.gz LTLAPROJZBIQGZ-HZPDHXFCSA-N 1 1 278.359 2.867 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000567483914 328366823 /nfs/dbraw/zinc/36/68/23/328366823.db2.gz CSQFAONVRZNIJR-LLVKDONJSA-N 1 1 280.755 2.908 20 30 CFEDMO CC(C)[N@H+](CCC#N)Cc1ccc2c(c1)OCCO2 ZINC000535077398 328384607 /nfs/dbraw/zinc/38/46/07/328384607.db2.gz NZXACIGSZUMQNJ-UHFFFAOYSA-N 1 1 260.337 2.582 20 30 CFEDMO CC(C)[N@@H+](CCC#N)Cc1ccc2c(c1)OCCO2 ZINC000535077398 328384608 /nfs/dbraw/zinc/38/46/08/328384608.db2.gz NZXACIGSZUMQNJ-UHFFFAOYSA-N 1 1 260.337 2.582 20 30 CFEDMO COc1nc2ccccc2cc1C[NH+]1CCC(C#N)CC1 ZINC000535083669 328385601 /nfs/dbraw/zinc/38/56/01/328385601.db2.gz VEEMPUFWUAEMTR-UHFFFAOYSA-N 1 1 281.359 2.979 20 30 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C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)CC1 ZINC000068837961 524085534 /nfs/dbraw/zinc/08/55/34/524085534.db2.gz GYWGFHKEOHNBFU-ZDUSSCGKSA-N 1 1 271.364 2.619 20 30 CFEDMO O=C(N[C@@H]1CCC(=O)NC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000330070623 534759177 /nfs/dbraw/zinc/75/91/77/534759177.db2.gz IGTMVVSCTGVWBV-QWHCGFSZSA-N 1 1 293.411 2.716 20 30 CFEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+](C)CC1CCC1 ZINC000061457784 524277851 /nfs/dbraw/zinc/27/78/51/524277851.db2.gz GJPZQMXGOSVSTD-LBPRGKRZSA-N 1 1 271.364 2.617 20 30 CFEDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC000192207186 524375250 /nfs/dbraw/zinc/37/52/50/524375250.db2.gz QMMJWXMUYYWDKO-BLLLJJGKSA-N 1 1 276.355 2.680 20 30 CFEDMO Cc1ccc(C[N@H+](CCO)Cc2ccc(F)c(C#N)c2)o1 ZINC000361519428 524413063 /nfs/dbraw/zinc/41/30/63/524413063.db2.gz OAOLDZRWNRCHGB-UHFFFAOYSA-N 1 1 288.322 2.593 20 30 CFEDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(F)c(C#N)c2)o1 ZINC000361519428 524413071 /nfs/dbraw/zinc/41/30/71/524413071.db2.gz 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C=CC[N@H+](CCC[C@@H](C)O)Cc1ccccc1F ZINC000354871234 526275490 /nfs/dbraw/zinc/27/54/90/526275490.db2.gz MLSVSCBQJFKCHP-CYBMUJFWSA-N 1 1 251.345 2.975 20 30 CFEDMO CC#CCCCC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000344746285 526292707 /nfs/dbraw/zinc/29/27/07/526292707.db2.gz YWKLNZCWNASNQM-OAHLLOKOSA-N 1 1 276.424 2.513 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)CC(=O)Nc1ccccc1 ZINC000352701283 526325431 /nfs/dbraw/zinc/32/54/31/526325431.db2.gz HNEPTVUZJDPOAN-UHFFFAOYSA-N 1 1 284.359 2.949 20 30 CFEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)Nc1ccccc1 ZINC000352701283 526325435 /nfs/dbraw/zinc/32/54/35/526325435.db2.gz HNEPTVUZJDPOAN-UHFFFAOYSA-N 1 1 284.359 2.949 20 30 CFEDMO C=C(C)C[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000347071501 526509815 /nfs/dbraw/zinc/50/98/15/526509815.db2.gz BWNQKVPVMLAIQT-UHFFFAOYSA-N 1 1 297.402 2.627 20 30 CFEDMO C=C(C)C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000347071501 526509820 /nfs/dbraw/zinc/50/98/20/526509820.db2.gz BWNQKVPVMLAIQT-UHFFFAOYSA-N 1 1 297.402 2.627 20 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ZINC001023210978 618169351 /nfs/dbraw/zinc/16/93/51/618169351.db2.gz KSWDUOOQPACOEN-ZDUSSCGKSA-N 1 1 278.421 2.766 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccsc2)C1 ZINC001023219045 618170280 /nfs/dbraw/zinc/17/02/80/618170280.db2.gz IYVQSQDURUXOTM-LBPRGKRZSA-N 1 1 298.839 2.942 20 30 CFEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)c2ccsc2)C1 ZINC001023219045 618170283 /nfs/dbraw/zinc/17/02/83/618170283.db2.gz IYVQSQDURUXOTM-LBPRGKRZSA-N 1 1 298.839 2.942 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccsc2)C1 ZINC001023218850 618170458 /nfs/dbraw/zinc/17/04/58/618170458.db2.gz DEHIDVYBRHIDNJ-ZDUSSCGKSA-N 1 1 278.421 2.766 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)c2ccoc2C)C1 ZINC001023221946 618170732 /nfs/dbraw/zinc/17/07/32/618170732.db2.gz UKAGYMAPLVKCFI-OAHLLOKOSA-N 1 1 290.407 2.996 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)c2cc(Cl)c[nH]2)C1 ZINC001023223923 618170903 /nfs/dbraw/zinc/17/09/03/618170903.db2.gz ZQRKPBQRLFMSNV-GFCCVEGCSA-N 1 1 295.814 2.686 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCOC[C@H]2CC2CC2)c1 ZINC000933215194 618171110 /nfs/dbraw/zinc/17/11/10/618171110.db2.gz QAPVYTPYIQWARD-MRXNPFEDSA-N 1 1 256.349 2.559 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCOC[C@H]2CC2CC2)c1 ZINC000933215194 618171112 /nfs/dbraw/zinc/17/11/12/618171112.db2.gz QAPVYTPYIQWARD-MRXNPFEDSA-N 1 1 256.349 2.559 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001023228719 618171278 /nfs/dbraw/zinc/17/12/78/618171278.db2.gz CUWWVBQMUZOCPU-HZPDHXFCSA-N 1 1 276.424 2.747 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001023228718 618171398 /nfs/dbraw/zinc/17/13/98/618171398.db2.gz CUWWVBQMUZOCPU-HOTGVXAUSA-N 1 1 276.424 2.747 20 30 CFEDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1CC#Cc1ccccc1 ZINC000933249668 618174705 /nfs/dbraw/zinc/17/47/05/618174705.db2.gz BTIHFZULTMWJIV-GOSISDBHSA-N 1 1 270.420 2.700 20 30 CFEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)C2CCCCCC2)C1 ZINC001023263981 618175329 /nfs/dbraw/zinc/17/53/29/618175329.db2.gz FIGGZLHJHYYQJH-OAHLLOKOSA-N 1 1 278.440 2.971 20 30 CFEDMO CC(C)C[C@@H]1C[N@@H+](C)CCN1CC#Cc1ccc(F)cc1 ZINC000933251236 618176050 /nfs/dbraw/zinc/17/60/50/618176050.db2.gz HWFCJFCOJGLBMV-GOSISDBHSA-N 1 1 288.410 2.839 20 30 CFEDMO C#CCCCCC[N@@H+]1CCN(C)C[C@H]1CC(C)C ZINC000933252816 618177120 /nfs/dbraw/zinc/17/71/20/618177120.db2.gz LTHJABGVGGNGPI-MRXNPFEDSA-N 1 1 250.430 2.842 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C2CC=CC2)C1 ZINC001023284596 618177478 /nfs/dbraw/zinc/17/74/78/618177478.db2.gz FJYOGIBXGZJXKM-OAHLLOKOSA-N 1 1 276.424 2.747 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)C2CC=CC2)C1 ZINC001023282908 618177920 /nfs/dbraw/zinc/17/79/20/618177920.db2.gz LALROUNFMPNQQC-CYBMUJFWSA-N 1 1 282.815 2.533 20 30 CFEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)C2CC=CC2)C1 ZINC001023282908 618177922 /nfs/dbraw/zinc/17/79/22/618177922.db2.gz LALROUNFMPNQQC-CYBMUJFWSA-N 1 1 282.815 2.533 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2cc(C)c(C)o2)C1 ZINC001023299257 618179287 /nfs/dbraw/zinc/17/92/87/618179287.db2.gz AKSLDOXGQMDEJH-CQSZACIVSA-N 1 1 276.380 2.524 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2c(C)coc2C)C1 ZINC001023348854 618184733 /nfs/dbraw/zinc/18/47/33/618184733.db2.gz QDRXIFKTTYAAJI-CQSZACIVSA-N 1 1 276.380 2.524 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2C(C)C)C1 ZINC001023406207 618188108 /nfs/dbraw/zinc/18/81/08/618188108.db2.gz DGIJNUZFRRSJLC-MRXNPFEDSA-N 1 1 298.430 2.885 20 30 CFEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn3ccccc23)C1 ZINC001023481868 618193035 /nfs/dbraw/zinc/19/30/35/618193035.db2.gz RCCDWNQZYQQIHE-HNNXBMFYSA-N 1 1 297.402 2.567 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC2(C)C)C1 ZINC001023538206 618197637 /nfs/dbraw/zinc/19/76/37/618197637.db2.gz XHUKEPPKDLCYMO-HUUCEWRRSA-N 1 1 278.440 2.827 20 30 CFEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)C2CCC(=C)CC2)C1 ZINC001023573423 618200448 /nfs/dbraw/zinc/20/04/48/618200448.db2.gz ZLRZOASAFJGZGB-HNNXBMFYSA-N 1 1 276.424 2.747 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)C2CCC(F)CC2)C1 ZINC001023574259 618200768 /nfs/dbraw/zinc/20/07/68/618200768.db2.gz ANWOSVUXIPFPFE-NFOMZHRRSA-N 1 1 282.403 2.529 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(Cl)[nH]2)C1 ZINC001023577576 618201132 /nfs/dbraw/zinc/20/11/32/618201132.db2.gz WYADTIPVXYRDBL-LBPRGKRZSA-N 1 1 295.814 2.686 20 30 CFEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)c2cc3ccccn3c2)C1 ZINC001023629145 618209150 /nfs/dbraw/zinc/20/91/50/618209150.db2.gz JFPMNGKSIRBVRV-OAHLLOKOSA-N 1 1 297.402 2.567 20 30 CFEDMO C=CC[NH+](CC=C)Cc1ccccc1O[C@H](C)C(=O)OC ZINC000891449384 618215036 /nfs/dbraw/zinc/21/50/36/618215036.db2.gz WHRFKLMNWWYKAJ-CQSZACIVSA-N 1 1 289.375 2.801 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccoc2CCC)C1 ZINC001023701082 618215159 /nfs/dbraw/zinc/21/51/59/618215159.db2.gz KZVWPCFFFUUTEQ-AWEZNQCLSA-N 1 1 290.407 2.860 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001023727264 618217605 /nfs/dbraw/zinc/21/76/05/618217605.db2.gz DWURQKMLKNWGMT-LLVKDONJSA-N 1 1 298.333 2.845 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C)cc2C)C1 ZINC001023730640 618218082 /nfs/dbraw/zinc/21/80/82/618218082.db2.gz BUPKPLJUVOPTIK-MRXNPFEDSA-N 1 1 286.419 2.931 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(CC)cc2)C1 ZINC001023733452 618219300 /nfs/dbraw/zinc/21/93/00/618219300.db2.gz LJOXXARFDVXGJK-QGZVFWFLSA-N 1 1 298.430 2.714 20 30 CFEDMO C=CCN(CCc1ccco1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000935287469 618221272 /nfs/dbraw/zinc/22/12/72/618221272.db2.gz KSUNISSFLGWFGU-INIZCTEOSA-N 1 1 290.407 2.710 20 30 CFEDMO C=CC[N@H+]1CCC[C@H](CNC(=O)C2CCC=CCC2)C1 ZINC001023751391 618221668 /nfs/dbraw/zinc/22/16/68/618221668.db2.gz JJEHUJJHDDIHCZ-OAHLLOKOSA-N 1 1 276.424 2.747 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2cccn2C(C)C)C1 ZINC001023753843 618222150 /nfs/dbraw/zinc/22/21/50/618222150.db2.gz QFNKKEISQRCTSI-OAHLLOKOSA-N 1 1 289.423 2.697 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](CNC(=O)C2CCC(C)(C)CC2)C1 ZINC001023767496 618223986 /nfs/dbraw/zinc/22/39/86/618223986.db2.gz HAQDMLWOKHIRKD-HNNXBMFYSA-N 1 1 290.451 2.664 20 30 CFEDMO C#Cc1cccc(NC(=O)CCCn2cc[nH+]c2C)c1 ZINC000065737482 618249182 /nfs/dbraw/zinc/24/91/82/618249182.db2.gz CQVZCKAZHVEWLV-UHFFFAOYSA-N 1 1 267.332 2.592 20 30 CFEDMO CC(=[NH+]NC1CCC(F)(F)CC1)c1ccc(N)nc1 ZINC000901341113 620789492 /nfs/dbraw/zinc/78/94/92/620789492.db2.gz WWXSQSYGYQIJMR-UHFFFAOYSA-N 1 1 268.311 2.555 20 30 CFEDMO C=CC[N@@H+](CCOC)Cc1cn(C)nc1C1CCCC1 ZINC000893992648 618260581 /nfs/dbraw/zinc/26/05/81/618260581.db2.gz MXHBLIIQGCZDFT-UHFFFAOYSA-N 1 1 277.412 2.712 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1cn(C)nc1C1CCCC1 ZINC000893992648 618260584 /nfs/dbraw/zinc/26/05/84/618260584.db2.gz MXHBLIIQGCZDFT-UHFFFAOYSA-N 1 1 277.412 2.712 20 30 CFEDMO C=CC[N@@H+](CCOC)Cc1nccc2c1CCCC2 ZINC000893993468 618261124 /nfs/dbraw/zinc/26/11/24/618261124.db2.gz SFMJDJAKFHOYBT-UHFFFAOYSA-N 1 1 260.381 2.595 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1nccc2c1CCCC2 ZINC000893993468 618261127 /nfs/dbraw/zinc/26/11/27/618261127.db2.gz SFMJDJAKFHOYBT-UHFFFAOYSA-N 1 1 260.381 2.595 20 30 CFEDMO C[C@H]1[C@H](CO)CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930741171 618261206 /nfs/dbraw/zinc/26/12/06/618261206.db2.gz ZFFSLGXCRANETL-GJZGRUSLSA-N 1 1 264.413 2.943 20 30 CFEDMO C[C@@H]1[C@H](CO)CCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930741166 618261277 /nfs/dbraw/zinc/26/12/77/618261277.db2.gz ZFFSLGXCRANETL-CABCVRRESA-N 1 1 264.413 2.943 20 30 CFEDMO COc1cc(C)cc(C[NH+]2CCC(C#N)CC2)c1OC ZINC000893983382 618263397 /nfs/dbraw/zinc/26/33/97/618263397.db2.gz BFSWWFUGZBERKU-UHFFFAOYSA-N 1 1 274.364 2.748 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CCCC1 ZINC001024299486 618287532 /nfs/dbraw/zinc/28/75/32/618287532.db2.gz LXEQIDONLAUVKQ-OAHLLOKOSA-N 1 1 264.413 2.723 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1CCCCC1 ZINC001024305407 618288948 /nfs/dbraw/zinc/28/89/48/618288948.db2.gz PWAYLSGADYKOKC-OAHLLOKOSA-N 1 1 264.413 2.723 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001024320575 618291639 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C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001024382028 618303906 /nfs/dbraw/zinc/30/39/06/618303906.db2.gz HUPMYGXXXMXLDH-WCVJEAGWSA-N 1 1 276.424 2.579 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc[nH]c1C ZINC001024384881 618304776 /nfs/dbraw/zinc/30/47/76/618304776.db2.gz KYAJUCSYERBRFR-OAHLLOKOSA-N 1 1 289.423 2.874 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnccc1C ZINC001024377556 618305331 /nfs/dbraw/zinc/30/53/31/618305331.db2.gz XGVLEOFWGAYRAV-OAHLLOKOSA-N 1 1 287.407 2.550 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)sn1 ZINC001024412549 618312634 /nfs/dbraw/zinc/31/26/34/618312634.db2.gz JFHHIIHAKVUXKY-ZDUSSCGKSA-N 1 1 293.436 2.612 20 30 CFEDMO C=C[C@@H]1OCCC[C@H]1Nc1[nH+]cnc2[nH]cc(CC)c21 ZINC000894078637 618314697 /nfs/dbraw/zinc/31/46/97/618314697.db2.gz LVKRVALZBWKTMJ-NEPJUHHUSA-N 1 1 272.352 2.666 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC2(CC2)C1 ZINC001024437731 618316532 /nfs/dbraw/zinc/31/65/32/618316532.db2.gz 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ZINC000930998351 618361389 /nfs/dbraw/zinc/36/13/89/618361389.db2.gz NDTSZYIHZXEXFC-SFHVURJKSA-N 1 1 284.403 2.912 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](N(C)C)[C@@H]1C ZINC000931042994 618385828 /nfs/dbraw/zinc/38/58/28/618385828.db2.gz PLARYVYYXPTHCA-WWGRRREGSA-N 1 1 257.381 2.644 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](N(C)C)[C@@H]1C ZINC000931042994 618385833 /nfs/dbraw/zinc/38/58/33/618385833.db2.gz PLARYVYYXPTHCA-WWGRRREGSA-N 1 1 257.381 2.644 20 30 CFEDMO C[C@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)CC[N@H+]1C ZINC000235713287 618418210 /nfs/dbraw/zinc/41/82/10/618418210.db2.gz AUBADECALWRYPR-JGVFFNPUSA-N 1 1 270.789 2.563 20 30 CFEDMO C=CC[C@H]1CC[N@H+](C[C@@](O)(CC)C(F)(F)F)C1 ZINC000931162626 618429097 /nfs/dbraw/zinc/42/90/97/618429097.db2.gz CUZIEGKRDSSKDJ-QWRGUYRKSA-N 1 1 251.292 2.588 20 30 CFEDMO C#Cc1cccc(NC(=S)NCC[N@H+](C)[C@@H](C)CC)c1 ZINC000727088153 618430600 /nfs/dbraw/zinc/43/06/00/618430600.db2.gz BXYMTHOKRJFRNZ-ZDUSSCGKSA-N 1 1 289.448 2.685 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024662464 618435907 /nfs/dbraw/zinc/43/59/07/618435907.db2.gz XYTOSGGXUJPMAV-BZUAXINKSA-N 1 1 278.440 2.825 20 30 CFEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)cs1 ZINC001024693123 618444059 /nfs/dbraw/zinc/44/40/59/618444059.db2.gz WQYYWVNZKXDRPR-LBPRGKRZSA-N 1 1 296.823 2.619 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(Cl)cs1 ZINC001024693123 618444062 /nfs/dbraw/zinc/44/40/62/618444062.db2.gz WQYYWVNZKXDRPR-LBPRGKRZSA-N 1 1 296.823 2.619 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001024701880 618448515 /nfs/dbraw/zinc/44/85/15/618448515.db2.gz VQZLPCCYVXGSCD-OWCLPIDISA-N 1 1 276.424 2.579 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1oc(CC)cc1C ZINC001024760241 618463165 /nfs/dbraw/zinc/46/31/65/618463165.db2.gz RANMUZWNDKNVPM-AWEZNQCLSA-N 1 1 290.407 2.921 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC001024758417 618463775 /nfs/dbraw/zinc/46/37/75/618463775.db2.gz QHSHIVWAEGQPCG-AWEZNQCLSA-N 1 1 290.407 2.921 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001024763525 618463841 /nfs/dbraw/zinc/46/38/41/618463841.db2.gz HSWANZSHJVBWHW-FGTMMUONSA-N 1 1 298.430 2.947 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024771173 618466162 /nfs/dbraw/zinc/46/61/62/618466162.db2.gz DQWNKWLAQUNTEU-BRWVUGGUSA-N 1 1 290.451 2.807 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ncccc1Cl ZINC001024767990 618466292 /nfs/dbraw/zinc/46/62/92/618466292.db2.gz MMBYLESKPJPFMJ-LBPRGKRZSA-N 1 1 293.798 2.505 20 30 CFEDMO Clc1cccc(N2CCOCC2)c1C=[NH+]OCC1CC1 ZINC000814244438 618470651 /nfs/dbraw/zinc/47/06/51/618470651.db2.gz TYGAXAIZAJLHKL-UHFFFAOYSA-N 1 1 294.782 2.937 20 30 CFEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)s1 ZINC001024788674 618471562 /nfs/dbraw/zinc/47/15/62/618471562.db2.gz MRFNHAIMHZMEAQ-NSHDSACASA-N 1 1 296.823 2.619 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)s1 ZINC001024788674 618471566 /nfs/dbraw/zinc/47/15/66/618471566.db2.gz MRFNHAIMHZMEAQ-NSHDSACASA-N 1 1 296.823 2.619 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2[nH]cc(C(=O)OC)c2C2CC2)C1 ZINC000895206998 618472068 /nfs/dbraw/zinc/47/20/68/618472068.db2.gz ZALGVSWYDFCIIF-GFCCVEGCSA-N 1 1 286.375 2.524 20 30 CFEDMO C#Cc1cccc(NC(=S)NCCCn2cc[nH+]c2C)c1 ZINC000726469411 618478144 /nfs/dbraw/zinc/47/81/44/618478144.db2.gz LDRMTMGROLPBPE-UHFFFAOYSA-N 1 1 298.415 2.550 20 30 CFEDMO C#Cc1cccc(NC(=S)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000726464306 618480266 /nfs/dbraw/zinc/48/02/66/618480266.db2.gz BFPXZNSUKCZAQX-JKSUJKDBSA-N 1 1 299.443 2.581 20 30 CFEDMO CCOC(=O)CC[N@@H+](Cc1csc(C#N)c1)C(C)C ZINC000895225383 618486010 /nfs/dbraw/zinc/48/60/10/618486010.db2.gz DJJMHIVVOSDOTG-UHFFFAOYSA-N 1 1 280.393 2.783 20 30 CFEDMO C=CCNC(=S)Nc1cccc2c1C[N@H+](CCC)C2 ZINC000727290508 618487545 /nfs/dbraw/zinc/48/75/45/618487545.db2.gz KZLGVSZWQGJGQP-UHFFFAOYSA-N 1 1 275.421 2.885 20 30 CFEDMO C=CCNC(=S)Nc1cccc2c1C[N@@H+](CCC)C2 ZINC000727290508 618487548 /nfs/dbraw/zinc/48/75/48/618487548.db2.gz KZLGVSZWQGJGQP-UHFFFAOYSA-N 1 1 275.421 2.885 20 30 CFEDMO C[NH+](C)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000727305900 618489825 /nfs/dbraw/zinc/48/98/25/618489825.db2.gz YIKBLBUPXDHMIK-KRWDZBQOSA-N 1 1 293.370 2.842 20 30 CFEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(O)c1OC ZINC000895314356 618528707 /nfs/dbraw/zinc/52/87/07/618528707.db2.gz TYVSYNRFEIFEHY-LBPRGKRZSA-N 1 1 290.363 2.535 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000895391231 618563723 /nfs/dbraw/zinc/56/37/23/618563723.db2.gz VLTNWJRQJSRKJB-CYBMUJFWSA-N 1 1 296.370 2.800 20 30 CFEDMO Cc1ncoc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000895415842 618573711 /nfs/dbraw/zinc/57/37/11/618573711.db2.gz ZXQXPUDUOWMPNC-UHFFFAOYSA-N 1 1 267.332 2.607 20 30 CFEDMO Cc1ncoc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000895415842 618573715 /nfs/dbraw/zinc/57/37/15/618573715.db2.gz ZXQXPUDUOWMPNC-UHFFFAOYSA-N 1 1 267.332 2.607 20 30 CFEDMO N#Cc1ccc(Br)c(C[NH2+]C2CSC2)c1 ZINC000895433987 618580879 /nfs/dbraw/zinc/58/08/79/618580879.db2.gz QRJKLXXNBYXGAY-UHFFFAOYSA-N 1 1 283.194 2.526 20 30 CFEDMO COCCCC1(C[N@H+]2CC[C@](C)(C#N)C2)CCC1 ZINC000895451280 618593638 /nfs/dbraw/zinc/59/36/38/618593638.db2.gz VEQYYMWKAKHXTP-CQSZACIVSA-N 1 1 250.386 2.819 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000310708008 618608115 /nfs/dbraw/zinc/60/81/15/618608115.db2.gz JCPKYEHUBXNARY-NEPJUHHUSA-N 1 1 250.317 2.747 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCNCC#Cc1ccccc1 ZINC000892572136 618637727 /nfs/dbraw/zinc/63/77/27/618637727.db2.gz GMFLVJQLBJGNSC-INIZCTEOSA-N 1 1 256.393 2.502 20 30 CFEDMO C[C@H]1CCCCN1CC[NH2+]CC#Cc1ccccc1 ZINC000892572136 618637729 /nfs/dbraw/zinc/63/77/29/618637729.db2.gz GMFLVJQLBJGNSC-INIZCTEOSA-N 1 1 256.393 2.502 20 30 CFEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001017820337 618672447 /nfs/dbraw/zinc/67/24/47/618672447.db2.gz AOIKKVFNIMUIPR-VQHPVUNQSA-N 1 1 288.435 2.511 20 30 CFEDMO C#CCCc1noc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000923882935 618718772 /nfs/dbraw/zinc/71/87/72/618718772.db2.gz MEDZXGUZPHAEDJ-HOCLYGCPSA-N 1 1 295.386 2.871 20 30 CFEDMO Cn1cc(C[NH2+]Cc2ccc(C#N)cc2F)c(C2CC2)n1 ZINC000892911016 618768469 /nfs/dbraw/zinc/76/84/69/618768469.db2.gz HYYUFVIGBBQBIZ-UHFFFAOYSA-N 1 1 284.338 2.598 20 30 CFEDMO C[C@H]1[C@H](N2CCCC2)CC[N@H+]1CC1CCC(C#N)CC1 ZINC000930483150 618842397 /nfs/dbraw/zinc/84/23/97/618842397.db2.gz SOHOMJLKOWRQST-ZGRYLRDCSA-N 1 1 275.440 2.875 20 30 CFEDMO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC1CCC(C#N)CC1 ZINC000930483150 618842398 /nfs/dbraw/zinc/84/23/98/618842398.db2.gz SOHOMJLKOWRQST-ZGRYLRDCSA-N 1 1 275.440 2.875 20 30 CFEDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930607183 618888313 /nfs/dbraw/zinc/88/83/13/618888313.db2.gz LHRJLNAPUSCZEP-UKRRQHHQSA-N 1 1 278.783 2.804 20 30 CFEDMO CC(=O)c1ccccc1OCCO[NH+]=C(N)C1CCCC1 ZINC000194253494 618933558 /nfs/dbraw/zinc/93/35/58/618933558.db2.gz AJIWKDVCSUAEDF-UHFFFAOYSA-N 1 1 290.363 2.747 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931310757 618937635 /nfs/dbraw/zinc/93/76/35/618937635.db2.gz MWZRCYSAHMQVJE-OLMNPRSZSA-N 1 1 283.419 2.893 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310757 618937638 /nfs/dbraw/zinc/93/76/38/618937638.db2.gz MWZRCYSAHMQVJE-OLMNPRSZSA-N 1 1 283.419 2.893 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310757 618937639 /nfs/dbraw/zinc/93/76/39/618937639.db2.gz MWZRCYSAHMQVJE-OLMNPRSZSA-N 1 1 283.419 2.893 20 30 CFEDMO CC1(C)[C@H](NCc2ccc(CC#N)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925708364 618962810 /nfs/dbraw/zinc/96/28/10/618962810.db2.gz RPXJCQOFUDHJPW-IXDOHACOSA-N 1 1 283.419 2.619 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001008749153 618967183 /nfs/dbraw/zinc/96/71/83/618967183.db2.gz QXLPSPWIDXCICV-ZDUSSCGKSA-N 1 1 291.395 2.568 20 30 CFEDMO C#CC[NH+](CC#C)Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000093475525 619028869 /nfs/dbraw/zinc/02/88/69/619028869.db2.gz DLQZGBJMFMSJLT-UHFFFAOYSA-N 1 1 283.762 2.799 20 30 CFEDMO C=CCCCN(CC)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000893536631 619043048 /nfs/dbraw/zinc/04/30/48/619043048.db2.gz LLGFXWYLUAXENE-UONOGXRCSA-N 1 1 279.428 2.609 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccccc1C#N ZINC000314652276 619089374 /nfs/dbraw/zinc/08/93/74/619089374.db2.gz MZAZDAYAIYDHNP-UHFFFAOYSA-N 1 1 298.390 2.759 20 30 CFEDMO C=C(C)C[N@@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931792665 619121162 /nfs/dbraw/zinc/12/11/62/619121162.db2.gz ADHUJTGYWMIJBV-INIZCTEOSA-N 1 1 253.349 2.933 20 30 CFEDMO C=C(C)C[N@H+]1CCc2nc[nH]c2[C@@H]1c1ccccc1 ZINC000931792665 619121165 /nfs/dbraw/zinc/12/11/65/619121165.db2.gz ADHUJTGYWMIJBV-INIZCTEOSA-N 1 1 253.349 2.933 20 30 CFEDMO N#CCC1(CNc2cc[nH+]c(NCC3(CC#N)CC3)n2)CC1 ZINC000893648637 619143952 /nfs/dbraw/zinc/14/39/52/619143952.db2.gz KBIRWDOWLIDDFY-UHFFFAOYSA-N 1 1 296.378 2.688 20 30 CFEDMO CC[N@@H+](Cc1ccc(C(=O)O[C@H](C)C#N)cc1)C(C)C ZINC000726054635 619208319 /nfs/dbraw/zinc/20/83/19/619208319.db2.gz PXPGHEBFYPVSKF-CYBMUJFWSA-N 1 1 274.364 2.986 20 30 CFEDMO C=C1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000893875638 619233613 /nfs/dbraw/zinc/23/36/13/619233613.db2.gz UWDXUMBGTDZUOH-SJORKVTESA-N 1 1 299.418 2.793 20 30 CFEDMO Cc1coc(C[NH+]2CCN(c3ccccc3C#N)CC2)c1 ZINC000893921958 619244045 /nfs/dbraw/zinc/24/40/45/619244045.db2.gz VPQLSOCGOVCIJZ-UHFFFAOYSA-N 1 1 281.359 2.782 20 30 CFEDMO C=CC[N@H+](C[C@H](O)CC(C)(C)O)CC1CCCCC1 ZINC000878098592 619252623 /nfs/dbraw/zinc/25/26/23/619252623.db2.gz YLWAKCAYULSYFB-OAHLLOKOSA-N 1 1 269.429 2.577 20 30 CFEDMO C#CCN(C(=O)NCC[N@H+](CC)C(C)C)C1CCCCC1 ZINC000726711155 619258529 /nfs/dbraw/zinc/25/85/29/619258529.db2.gz HUUZZLILJPWGGC-UHFFFAOYSA-N 1 1 293.455 2.694 20 30 CFEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(OC)ccn2)CC1 ZINC000924985052 619317087 /nfs/dbraw/zinc/31/70/87/619317087.db2.gz FZUQBRPDVDVWCT-AWEZNQCLSA-N 1 1 289.423 2.781 20 30 CFEDMO C[C@H]([NH2+]C1CCN(CC#N)CC1)C(F)(F)c1ccccc1 ZINC000924998688 619325571 /nfs/dbraw/zinc/32/55/71/619325571.db2.gz FTDZNZYLIWXBPI-ZDUSSCGKSA-N 1 1 293.361 2.744 20 30 CFEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1c1ccc(C)cc1 ZINC000738340735 619331266 /nfs/dbraw/zinc/33/12/66/619331266.db2.gz OTYXQPHSZFBKST-CRAIPNDOSA-N 1 1 284.403 2.517 20 30 CFEDMO Cc1cc(F)c(C#N)c(N[C@H]2CCC[N@H+](CCF)C2)c1 ZINC000894470564 619394020 /nfs/dbraw/zinc/39/40/20/619394020.db2.gz CDSOHNLKXRSKLH-LBPRGKRZSA-N 1 1 279.334 2.852 20 30 CFEDMO Cc1cc(F)c(C#N)c(N[C@H]2CCC[N@@H+](CCF)C2)c1 ZINC000894470564 619394022 /nfs/dbraw/zinc/39/40/22/619394022.db2.gz CDSOHNLKXRSKLH-LBPRGKRZSA-N 1 1 279.334 2.852 20 30 CFEDMO C=CC[N@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894495662 619402739 /nfs/dbraw/zinc/40/27/39/619402739.db2.gz PRKXYWBJNWRIMQ-JTQLQIEISA-N 1 1 278.343 2.653 20 30 CFEDMO C=CCC[N@H+](C)Cc1ccc(OC)c(OC)c1F ZINC000894532386 619411475 /nfs/dbraw/zinc/41/14/75/619411475.db2.gz 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C=CC[N@H+]1CC[C@@]2(NC(=O)C(C)=C3CCC3)CCC[C@@H]12 ZINC000990642048 620437928 /nfs/dbraw/zinc/43/79/28/620437928.db2.gz ZBYGTFDQXDAGDA-WBVHZDCISA-N 1 1 274.408 2.786 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000898468757 620468105 /nfs/dbraw/zinc/46/81/05/620468105.db2.gz BCQSIZABCAYLHR-RWMBFGLXSA-N 1 1 291.361 2.883 20 30 CFEDMO CCOc1cccc(/C=N/CC[N@H+]2CCC(C)(C)C2)c1O ZINC000899231622 620533850 /nfs/dbraw/zinc/53/38/50/620533850.db2.gz FQERCQVLAPDGIM-LDADJPATSA-N 1 1 290.407 2.942 20 30 CFEDMO C=C1C[NH+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000899899717 620610432 /nfs/dbraw/zinc/61/04/32/620610432.db2.gz ASYTVHLFHKYZJG-UHFFFAOYSA-N 1 1 250.729 2.540 20 30 CFEDMO C#Cc1ccc(NC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000899918069 620611684 /nfs/dbraw/zinc/61/16/84/620611684.db2.gz IOFIEYRDDPEEJT-LJQANCHMSA-N 1 1 294.398 2.573 20 30 CFEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@H]2C2CCCC2)CCC1 ZINC000899912114 620612166 /nfs/dbraw/zinc/61/21/66/620612166.db2.gz BIESGRCSMPKDON-GJZGRUSLSA-N 1 1 262.397 2.696 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(Cn2cnc3ccccc32)no1 ZINC000900016710 620622894 /nfs/dbraw/zinc/62/28/94/620622894.db2.gz ZCNVPQKKVQNKKO-GFCCVEGCSA-N 1 1 297.362 2.824 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183237306 625447688 /nfs/dbraw/zinc/44/76/88/625447688.db2.gz PFVWHGNBPYDHPZ-AWEZNQCLSA-N 1 1 280.412 2.791 20 30 CFEDMO C=CC[C@H]([NH2+]Cc1cn(CC)cn1)c1ccncc1 ZINC000902244636 621010438 /nfs/dbraw/zinc/01/04/38/621010438.db2.gz KHRHZFMMXVUJIK-HNNXBMFYSA-N 1 1 256.353 2.705 20 30 CFEDMO N#Cc1cncc(COc2cc[nH+]c3c2CCCC3)c1 ZINC000902493607 621103345 /nfs/dbraw/zinc/10/33/45/621103345.db2.gz ZJAFQTXOYGYRCM-UHFFFAOYSA-N 1 1 265.316 2.806 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000801919952 621128284 /nfs/dbraw/zinc/12/82/84/621128284.db2.gz PMUQZZJOXFGJTR-QWHCGFSZSA-N 1 1 262.328 2.544 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000801926146 621142104 /nfs/dbraw/zinc/14/21/04/621142104.db2.gz AVYFFYRMEONDPV-MNOVXSKESA-N 1 1 280.318 2.813 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCc2c(F)cc(F)cc2[C@@H]1C ZINC000801926146 621142105 /nfs/dbraw/zinc/14/21/05/621142105.db2.gz AVYFFYRMEONDPV-MNOVXSKESA-N 1 1 280.318 2.813 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000801925334 621144267 /nfs/dbraw/zinc/14/42/67/621144267.db2.gz BANQVTVUJBPZTK-IJEWVQPXSA-N 1 1 258.365 2.793 20 30 CFEDMO C[C@H](CN[C@@H](C)c1cc(C#N)ccn1)[N@H+]1CCCC[C@H]1C ZINC000902746796 621163575 /nfs/dbraw/zinc/16/35/75/621163575.db2.gz OKPIRXSRKHIXQL-KFWWJZLASA-N 1 1 286.423 2.867 20 30 CFEDMO C[C@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)N1CCCC[C@H]1C ZINC000902746796 621163577 /nfs/dbraw/zinc/16/35/77/621163577.db2.gz OKPIRXSRKHIXQL-KFWWJZLASA-N 1 1 286.423 2.867 20 30 CFEDMO C[C@H](NCC[N@@H+](C)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902769274 621169781 /nfs/dbraw/zinc/16/97/81/621169781.db2.gz WVQUYUKDAUCTTF-AWEZNQCLSA-N 1 1 286.423 2.868 20 30 CFEDMO C[C@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)N1CCC(C)CC1 ZINC000902780590 621172339 /nfs/dbraw/zinc/17/23/39/621172339.db2.gz KYSCXJVTZUGFSL-CABCVRRESA-N 1 1 286.423 2.724 20 30 CFEDMO Cc1nc(C)c(C[NH2+][C@@H](C)c2cc(C#N)ccn2)s1 ZINC000902819520 621181668 /nfs/dbraw/zinc/18/16/68/621181668.db2.gz GZTKFPWSNOFTPG-VIFPVBQESA-N 1 1 272.377 2.877 20 30 CFEDMO CCCn1cc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)nn1 ZINC000902827693 621183132 /nfs/dbraw/zinc/18/31/32/621183132.db2.gz MZIJVTWXZAVYNJ-STQMWFEESA-N 1 1 283.379 2.972 20 30 CFEDMO COC[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000902867055 621192087 /nfs/dbraw/zinc/19/20/87/621192087.db2.gz WADLRUUWIYDLSF-CXAGYDPISA-N 1 1 281.359 2.992 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cc(C#N)ccn1 ZINC000902877244 621197472 /nfs/dbraw/zinc/19/74/72/621197472.db2.gz MBPHAIRDSIQDKI-XUSGNXJCSA-N 1 1 299.399 2.541 20 30 CFEDMO COc1ccc(F)cc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902959243 621214589 /nfs/dbraw/zinc/21/45/89/621214589.db2.gz FMVYLELRUCRISP-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903001291 621225612 /nfs/dbraw/zinc/22/56/12/621225612.db2.gz SXSLUXSIKHXFIV-LBPRGKRZSA-N 1 1 299.340 2.706 20 30 CFEDMO C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1 ZINC000903001291 621225613 /nfs/dbraw/zinc/22/56/13/621225613.db2.gz SXSLUXSIKHXFIV-LBPRGKRZSA-N 1 1 299.340 2.706 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H](CC)c2cccc(C#N)c2)nn1 ZINC000903026463 621234406 /nfs/dbraw/zinc/23/44/06/621234406.db2.gz PGPSCNRKDYYCLF-MRXNPFEDSA-N 1 1 281.363 2.577 20 30 CFEDMO C=CCCCCC[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903024883 621234504 /nfs/dbraw/zinc/23/45/04/621234504.db2.gz ZGMOPZRZEYTCRC-CQSZACIVSA-N 1 1 260.385 2.709 20 30 CFEDMO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nncn1C ZINC000903060870 621237266 /nfs/dbraw/zinc/23/72/66/621237266.db2.gz HOPJETDTLPQGJI-SWLSCSKDSA-N 1 1 283.379 2.735 20 30 CFEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)c1ccc(C#N)cc1F ZINC000903050782 621241959 /nfs/dbraw/zinc/24/19/59/621241959.db2.gz QQKOWFRMGKOVNS-OAHLLOKOSA-N 1 1 289.354 2.533 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)c1ccc(C#N)cc1F ZINC000903050782 621241960 /nfs/dbraw/zinc/24/19/60/621241960.db2.gz QQKOWFRMGKOVNS-OAHLLOKOSA-N 1 1 289.354 2.533 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cc(C#N)ccn1 ZINC000903054283 621243167 /nfs/dbraw/zinc/24/31/67/621243167.db2.gz WEZVQGRRSSLZBE-MEDUHNTESA-N 1 1 279.343 2.997 20 30 CFEDMO C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cc(C#N)ccn1 ZINC000903054285 621243395 /nfs/dbraw/zinc/24/33/95/621243395.db2.gz WEZVQGRRSSLZBE-ZBEGNZNMSA-N 1 1 279.343 2.997 20 30 CFEDMO C[C@@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc(C#N)ccn1 ZINC000903070805 621250034 /nfs/dbraw/zinc/25/00/34/621250034.db2.gz XLFNKOASGFRWFO-CZUORRHYSA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@@H](NC[C@H]1CC[N@H+]1C1CCCC1)c1cc(C#N)ccn1 ZINC000903070805 621250035 /nfs/dbraw/zinc/25/00/35/621250035.db2.gz XLFNKOASGFRWFO-CZUORRHYSA-N 1 1 284.407 2.621 20 30 CFEDMO COC(=O)c1csc([C@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000903101568 621253310 /nfs/dbraw/zinc/25/33/10/621253310.db2.gz JAGHFZMQRMZGRA-VIFPVBQESA-N 1 1 266.366 2.735 20 30 CFEDMO CCc1nc2c(s1)[C@@H]([NH2+]CC1(C#N)CC1)CCC2 ZINC000903105401 621255017 /nfs/dbraw/zinc/25/50/17/621255017.db2.gz CCXGZXZOHBAEDT-JTQLQIEISA-N 1 1 261.394 2.976 20 30 CFEDMO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC1(C#N)CC1 ZINC000903106173 621255592 /nfs/dbraw/zinc/25/55/92/621255592.db2.gz NDMHDDRJAULEJJ-LBPRGKRZSA-N 1 1 260.312 2.715 20 30 CFEDMO CC1(C)CC[N@H+](CCN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000903343402 621336393 /nfs/dbraw/zinc/33/63/93/621336393.db2.gz HRVCUDROVLIZOV-KRWDZBQOSA-N 1 1 283.419 2.867 20 30 CFEDMO CC1(C)CC[N@@H+](CCN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000903343402 621336396 /nfs/dbraw/zinc/33/63/96/621336396.db2.gz HRVCUDROVLIZOV-KRWDZBQOSA-N 1 1 283.419 2.867 20 30 CFEDMO CC[C@@H]([NH2+]Cc1cn(C)cn1)c1ccc(C#N)cc1 ZINC000903351617 621344061 /nfs/dbraw/zinc/34/40/61/621344061.db2.gz NBZHBQCZADAWDS-OAHLLOKOSA-N 1 1 254.337 2.533 20 30 CFEDMO C[C@]12C[NH2+]C[C@@]1(C)CN(CCCCC1(C#N)CCC1)C2 ZINC000903776545 621440204 /nfs/dbraw/zinc/44/02/04/621440204.db2.gz UKUWKIDYNSCHNX-IYBDPMFKSA-N 1 1 275.440 2.782 20 30 CFEDMO C[C@H]1CN[C@@H](C)[C@H](C)[N@H+]1CCCCC1(C#N)CCC1 ZINC000903786929 621442169 /nfs/dbraw/zinc/44/21/69/621442169.db2.gz QMZYBVWNFIAYEP-KKUMJFAQSA-N 1 1 263.429 2.921 20 30 CFEDMO C[C@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903786929 621442170 /nfs/dbraw/zinc/44/21/70/621442170.db2.gz QMZYBVWNFIAYEP-KKUMJFAQSA-N 1 1 263.429 2.921 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccc(C)n2)no1 ZINC000904572189 621611918 /nfs/dbraw/zinc/61/19/18/621611918.db2.gz GAFTYVFWUJZCEC-LLVKDONJSA-N 1 1 258.325 2.796 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H]2CCCS2)no1 ZINC000904617418 621616928 /nfs/dbraw/zinc/61/69/28/621616928.db2.gz LVEWSNVZMDSQFF-NXEZZACHSA-N 1 1 253.371 2.994 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cncs2)no1 ZINC000904691734 621626015 /nfs/dbraw/zinc/62/60/15/621626015.db2.gz GRZDEXPYVJZXBI-QMMMGPOBSA-N 1 1 250.327 2.549 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccn3ccnc23)no1 ZINC000904691771 621626025 /nfs/dbraw/zinc/62/60/25/621626025.db2.gz IJWFPPGHYUEKIU-LBPRGKRZSA-N 1 1 283.335 2.740 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc([C@H]2CCOC[C@H]2C)no1 ZINC000904711114 621628407 /nfs/dbraw/zinc/62/84/07/621628407.db2.gz GJPBKLRWXBDFQS-WOPDTQHZSA-N 1 1 265.357 2.566 20 30 CFEDMO C[C@H](C#N)C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905104387 621700150 /nfs/dbraw/zinc/70/01/50/621700150.db2.gz FRNGORRIDZMLDJ-PRHODGIISA-N 1 1 273.163 2.776 20 30 CFEDMO C#CC[N@@H+](Cc1ccc(C(C)C)cc(=O)c1O)C(C)C ZINC000905750584 621832940 /nfs/dbraw/zinc/83/29/40/621832940.db2.gz VYCIVIQWLIWHNT-UHFFFAOYSA-N 1 1 273.376 2.719 20 30 CFEDMO C=CC[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1)C(=O)OC ZINC000905762135 621854342 /nfs/dbraw/zinc/85/43/42/621854342.db2.gz QSVKOAOHYQOVFK-FQUUOJAGSA-N 1 1 251.370 2.663 20 30 CFEDMO C=CC[C@H]([NH2+]CC(CC)(CC)SC)C(=O)OC ZINC000905763427 621855250 /nfs/dbraw/zinc/85/52/50/621855250.db2.gz YFWOLQBIKHIXAT-NSHDSACASA-N 1 1 259.415 2.616 20 30 CFEDMO C=CC[C@H]([NH2+]C[C@@H](CC)CC(F)(F)F)C(=O)OC ZINC000905770821 621859872 /nfs/dbraw/zinc/85/98/72/621859872.db2.gz DQAFAGCLWUCVCC-UWVGGRQHSA-N 1 1 267.291 2.672 20 30 CFEDMO C=CC[C@@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)C(=O)OC ZINC000905771582 621860766 /nfs/dbraw/zinc/86/07/66/621860766.db2.gz SZZDXBZXGWNVPO-KOLCDFICSA-N 1 1 280.195 2.668 20 30 CFEDMO C[N@@H+](Cc1cn(CC2CCC(C#N)CC2)nn1)C(C)(C)C ZINC000905815977 621875511 /nfs/dbraw/zinc/87/55/11/621875511.db2.gz OKZBGEGPLPQNEN-UHFFFAOYSA-N 1 1 289.427 2.838 20 30 CFEDMO CSc1ccc(C[NH2+]C[C@H](C#N)CCC#N)cc1C#N ZINC000905827827 621878646 /nfs/dbraw/zinc/87/86/46/621878646.db2.gz LGFPJPKVJTYQAD-ZDUSSCGKSA-N 1 1 284.388 2.813 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001015860104 625530048 /nfs/dbraw/zinc/53/00/48/625530048.db2.gz ITWSNAVPTCAKFO-HIFRSBDPSA-N 1 1 290.407 2.767 20 30 CFEDMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc(C)c1C#N ZINC000906198598 621958363 /nfs/dbraw/zinc/95/83/63/621958363.db2.gz HCTCZJFVADUUTP-IRXDYDNUSA-N 1 1 297.402 2.532 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(CC)n3)CCC[C@@H]12 ZINC000991086856 622063428 /nfs/dbraw/zinc/06/34/28/622063428.db2.gz DHOKNZRHLQSASM-AEFFLSMTSA-N 1 1 299.418 2.557 20 30 CFEDMO C=C(CC[NH+](C)C)C(=O)Nc1cc(F)cc(Cl)c1O ZINC000907442736 622123673 /nfs/dbraw/zinc/12/36/73/622123673.db2.gz AISZDLZUNAUTJT-UHFFFAOYSA-N 1 1 286.734 2.631 20 30 CFEDMO C#CCCCCCC(=O)N1CCC[N@H+](CC)C[C@H]1C ZINC000910284733 622425963 /nfs/dbraw/zinc/42/59/63/622425963.db2.gz SXWLPOFYSJKXOW-OAHLLOKOSA-N 1 1 264.413 2.513 20 30 CFEDMO C#CC[N@@H+](CCOc1cccc(C#N)c1)C1CCCC1 ZINC000155877399 622493994 /nfs/dbraw/zinc/49/39/94/622493994.db2.gz CWOLJXAJZFLKKN-UHFFFAOYSA-N 1 1 268.360 2.815 20 30 CFEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C3CCC3)CCC[C@@H]12 ZINC000991332055 622522543 /nfs/dbraw/zinc/52/25/43/622522543.db2.gz OTWPCEBPNMCPNI-YXJHDRRASA-N 1 1 288.435 2.559 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C3CCC3)CCC[C@@H]12 ZINC000991331703 622522799 /nfs/dbraw/zinc/52/27/99/622522799.db2.gz NXAKMIDKJXTOMV-FRFSOERESA-N 1 1 276.424 2.722 20 30 CFEDMO C=C(C[NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccccc1 ZINC000924839934 622525488 /nfs/dbraw/zinc/52/54/88/622525488.db2.gz AQBSDCLAVFHNPQ-TZMCWYRMSA-N 1 1 254.337 2.587 20 30 CFEDMO C[C@H](N[NH+]=Cc1ccc(N(C)C)c(F)c1)c1ccncc1 ZINC000819815419 622562270 /nfs/dbraw/zinc/56/22/70/622562270.db2.gz QBBPLVZSBBKZQZ-LBPRGKRZSA-N 1 1 286.354 2.971 20 30 CFEDMO Cc1cc(Br)cnc1N=NC1C[C@H](C)[N@H+](C)C1 ZINC000819826803 622565151 /nfs/dbraw/zinc/56/51/51/622565151.db2.gz BGXIWIXMWBQUJR-VIFPVBQESA-N 1 1 297.200 2.644 20 30 CFEDMO C=C[C@H](CC)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000820609247 622715335 /nfs/dbraw/zinc/71/53/35/622715335.db2.gz PZNCOZYWBZLHMO-GDBMZVCRSA-N 1 1 264.413 2.533 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000820609251 622715766 /nfs/dbraw/zinc/71/57/66/622715766.db2.gz PZNCOZYWBZLHMO-GOEBONIOSA-N 1 1 264.413 2.533 20 30 CFEDMO C=C[C@H](CC)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000820609256 622715895 /nfs/dbraw/zinc/71/58/95/622715895.db2.gz PZNCOZYWBZLHMO-ZBFHGGJFSA-N 1 1 264.413 2.533 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3[nH]c(C)cc3C)CCC[C@H]12 ZINC000991419959 622811773 /nfs/dbraw/zinc/81/17/73/622811773.db2.gz ZGQXSCWQNRGQHG-WMLDXEAASA-N 1 1 287.407 2.544 20 30 CFEDMO C=C(C)C(C)(C)C(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000820994830 622814978 /nfs/dbraw/zinc/81/49/78/622814978.db2.gz STVQZZRQCSZOTG-OLZOCXBDSA-N 1 1 251.370 2.759 20 30 CFEDMO CCCCCCCCOCC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000834310394 625597368 /nfs/dbraw/zinc/59/73/68/625597368.db2.gz KRISLZURCKKGEH-JKSUJKDBSA-N 1 1 296.455 2.526 20 30 CFEDMO C=C(Br)C[NH2+][C@H](c1cccnc1)C(C)(C)CO ZINC000821336421 622896949 /nfs/dbraw/zinc/89/69/49/622896949.db2.gz AQOBBHAFYRMKMG-GFCCVEGCSA-N 1 1 299.212 2.639 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(C)cc(C)n3)CCC[C@@H]12 ZINC000991503860 622950007 /nfs/dbraw/zinc/95/00/07/622950007.db2.gz OBKAWXACSMAIHX-SJLPKXTDSA-N 1 1 299.418 2.611 20 30 CFEDMO C=CCc1cc(C[N@@H+](C)C[C@@H]2CCOC2)c(O)c(OC)c1 ZINC000164460152 622956370 /nfs/dbraw/zinc/95/63/70/622956370.db2.gz XDVQWNJACQAPEO-AWEZNQCLSA-N 1 1 291.391 2.598 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000056316463 622980650 /nfs/dbraw/zinc/98/06/50/622980650.db2.gz KSDNWEURSXEGQW-LBPRGKRZSA-N 1 1 254.374 2.552 20 30 CFEDMO C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652752 623044450 /nfs/dbraw/zinc/04/44/50/623044450.db2.gz FJMUWJRUXQCEHG-YCPHGPKFSA-N 1 1 287.407 2.722 20 30 CFEDMO C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652752 623044458 /nfs/dbraw/zinc/04/44/58/623044458.db2.gz FJMUWJRUXQCEHG-YCPHGPKFSA-N 1 1 287.407 2.722 20 30 CFEDMO COC(=O)Cc1ccccc1C[N@@H+](CCC#N)CC(C)C ZINC000167677692 623062236 /nfs/dbraw/zinc/06/22/36/623062236.db2.gz OIQHMDXWUMOVMC-UHFFFAOYSA-N 1 1 288.391 2.774 20 30 CFEDMO C=CC(C)(C)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000822542011 623123483 /nfs/dbraw/zinc/12/34/83/623123483.db2.gz OLLIQPSIPGHQCV-UHFFFAOYSA-N 1 1 270.336 2.726 20 30 CFEDMO C=CC[N@@H+](CC[C@H]1CC1(Cl)Cl)CC(=O)OCC ZINC000822587893 623131619 /nfs/dbraw/zinc/13/16/19/623131619.db2.gz JFYABVYDSKQATA-JTQLQIEISA-N 1 1 280.195 2.621 20 30 CFEDMO C=CC[N@H+](CC[C@H]1CC1(Cl)Cl)CC(=O)OCC ZINC000822587893 623131620 /nfs/dbraw/zinc/13/16/20/623131620.db2.gz JFYABVYDSKQATA-JTQLQIEISA-N 1 1 280.195 2.621 20 30 CFEDMO Cc1ccc(C)c(NC(=O)CO[NH+]=C(N)C2CCCC2)c1 ZINC000060741896 623151321 /nfs/dbraw/zinc/15/13/21/623151321.db2.gz QGSVIQZYZJUBGR-UHFFFAOYSA-N 1 1 289.379 2.721 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc(Cc2ccc(F)cc2F)no1 ZINC000822722079 623160164 /nfs/dbraw/zinc/16/01/64/623160164.db2.gz AWXHDLGIFSXDDB-GFCCVEGCSA-N 1 1 292.289 2.632 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc(Cc2ccc3c(c2)CCC3)no1 ZINC000823012107 623219071 /nfs/dbraw/zinc/21/90/71/623219071.db2.gz PZPXVWLWCXKINF-HNNXBMFYSA-N 1 1 296.374 2.843 20 30 CFEDMO Cc1cscc1-c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000823099472 623235393 /nfs/dbraw/zinc/23/53/93/623235393.db2.gz QDEHFNKWLAXWTQ-JTQLQIEISA-N 1 1 262.338 2.800 20 30 CFEDMO C[C@H](CNCc1ccc(C#N)cc1)[NH+]1CCC(C)CC1 ZINC000062423452 623272382 /nfs/dbraw/zinc/27/23/82/623272382.db2.gz DDTNVMRFEYONNU-OAHLLOKOSA-N 1 1 271.408 2.768 20 30 CFEDMO C[C@H](O[NH+]=C(N)C1CCCC1)c1nc(C(C)(C)C)no1 ZINC000172381555 623278772 /nfs/dbraw/zinc/27/87/72/623278772.db2.gz UAOGRXIYAVFQNB-VIFPVBQESA-N 1 1 280.372 2.907 20 30 CFEDMO CC(C)C#CC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000823268796 623279939 /nfs/dbraw/zinc/27/99/39/623279939.db2.gz QJQFNSAIACSASW-RDJZCZTQSA-N 1 1 284.403 2.598 20 30 CFEDMO C#CC[N@H+](CC)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823418878 623313431 /nfs/dbraw/zinc/31/34/31/623313431.db2.gz KREXBTTUMIYVOV-LSDHHAIUSA-N 1 1 294.439 2.977 20 30 CFEDMO CCCCC(N)=[NH+]OCCOc1ccccc1F ZINC000063460166 623352330 /nfs/dbraw/zinc/35/23/30/623352330.db2.gz QFUDOCHQTGSVGR-UHFFFAOYSA-N 1 1 254.305 2.684 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)C[C@H](O)CC1CCCC1 ZINC000232135531 623390004 /nfs/dbraw/zinc/39/00/04/623390004.db2.gz UUMMHYVKQJCGHL-OAHLLOKOSA-N 1 1 252.402 2.799 20 30 CFEDMO COc1ccc(C[NH2+]Cc2ncc(C)s2)cc1C#N ZINC000174572338 623428608 /nfs/dbraw/zinc/42/86/08/623428608.db2.gz DCAXXKHFIQMLNK-UHFFFAOYSA-N 1 1 273.361 2.622 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)c(C)cn3)CCC[C@H]12 ZINC000991977908 623435372 /nfs/dbraw/zinc/43/53/72/623435372.db2.gz VTBABBUFSULYSG-WMZOPIPTSA-N 1 1 299.418 2.611 20 30 CFEDMO CO[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000929501946 623449843 /nfs/dbraw/zinc/44/98/43/623449843.db2.gz BBDCAYLZEYYPFT-CQSZACIVSA-N 1 1 250.386 2.961 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C(F)=C2CCCC2)C1 ZINC001007089160 623452391 /nfs/dbraw/zinc/45/23/91/623452391.db2.gz AXOUZHLMYPCKIQ-CYBMUJFWSA-N 1 1 266.360 2.551 20 30 CFEDMO CC(C)[N@H+]1CC[C@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000232671721 623453086 /nfs/dbraw/zinc/45/30/86/623453086.db2.gz HFUOQQYDNDYMQS-SECBINFHSA-N 1 1 284.816 2.810 20 30 CFEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC=C)CC3)cc1 ZINC000992100111 623455454 /nfs/dbraw/zinc/45/54/54/623455454.db2.gz PLRBCDGTVIYARE-MJGOQNOKSA-N 1 1 294.398 2.581 20 30 CFEDMO C[C@@H](C#N)C[NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000824153068 623461401 /nfs/dbraw/zinc/46/14/01/623461401.db2.gz AIXHKHRTFJLZGW-ZDUSSCGKSA-N 1 1 297.358 2.621 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cc(C)co3)CCC[C@H]12 ZINC000992133907 623464764 /nfs/dbraw/zinc/46/47/64/623464764.db2.gz VTDFMVTUIWVVMW-DOTOQJQBSA-N 1 1 288.391 2.891 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cocc3C)CCC[C@@H]12 ZINC000992133781 623465064 /nfs/dbraw/zinc/46/50/64/623465064.db2.gz RJTQGGSANMPSTG-ZBFHGGJFSA-N 1 1 274.364 2.501 20 30 CFEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccccc3CC)CCC[C@@H]12 ZINC000992158398 623473808 /nfs/dbraw/zinc/47/38/08/623473808.db2.gz IMYPYAPJZSDNMZ-MJGOQNOKSA-N 1 1 296.414 2.609 20 30 CFEDMO C#CCN(Cc1c[nH+]c(C)n1C)[C@H]1CCc2ccccc21 ZINC000824474800 623511257 /nfs/dbraw/zinc/51/12/57/623511257.db2.gz TXGSORFBNXUWGX-SFHVURJKSA-N 1 1 279.387 2.851 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3csc(C)c3)CCC[C@H]12 ZINC000992314417 623515332 /nfs/dbraw/zinc/51/53/32/623515332.db2.gz IKEZWXQLHPIDLV-GOEBONIOSA-N 1 1 290.432 2.969 20 30 CFEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cncc(C#N)c2)C1(C)C ZINC000929698461 623515906 /nfs/dbraw/zinc/51/59/06/623515906.db2.gz MMKOKOATFVGMOJ-CABCVRRESA-N 1 1 273.380 2.589 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@](C)(COC)C1 ZINC000824576127 623525763 /nfs/dbraw/zinc/52/57/63/623525763.db2.gz AKXBMSFKGNOODZ-KRWDZBQOSA-N 1 1 273.376 2.557 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC34CCCC4)CCC[C@@H]12 ZINC000992378288 623528204 /nfs/dbraw/zinc/52/82/04/623528204.db2.gz IXLVFQFRUFIZLX-HDMKZQKVSA-N 1 1 288.435 2.866 20 30 CFEDMO 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C=CCC[C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C1CC1 ZINC000774230850 627907167 /nfs/dbraw/zinc/90/71/67/627907167.db2.gz UKSXEOWEPKKEHU-KBPBESRZSA-N 1 1 283.437 2.712 20 30 CFEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCc3occc32)nc1 ZINC000774366197 627919420 /nfs/dbraw/zinc/91/94/20/627919420.db2.gz CDIMYYHAAAVWRX-CQSZACIVSA-N 1 1 253.305 2.713 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1=NOC1CCOCC1 ZINC000774443898 627926955 /nfs/dbraw/zinc/92/69/55/627926955.db2.gz HODRJAPVFODFBW-CQSZACIVSA-N 1 1 288.391 2.690 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@]2(CO)CCC)cc1 ZINC000775175486 627998231 /nfs/dbraw/zinc/99/82/31/627998231.db2.gz IJUXXBWGYDLWML-GOSISDBHSA-N 1 1 287.403 2.826 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(Br)c1O ZINC000775184065 627999062 /nfs/dbraw/zinc/99/90/62/627999062.db2.gz USJASEFOYAPYFK-SECBINFHSA-N 1 1 268.154 2.608 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1O ZINC000775184065 627999063 /nfs/dbraw/zinc/99/90/63/627999063.db2.gz USJASEFOYAPYFK-SECBINFHSA-N 1 1 268.154 2.608 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@@H]1CCCO1 ZINC000775342307 628012405 /nfs/dbraw/zinc/01/24/05/628012405.db2.gz QGQKNPHNOTUVTC-KGLIPLIRSA-N 1 1 276.405 2.681 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccc(F)cc1Cl)[C@H]1CCCO1 ZINC000775343052 628012413 /nfs/dbraw/zinc/01/24/13/628012413.db2.gz UVIHJEBTCSOERE-UONOGXRCSA-N 1 1 267.731 2.750 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@@H]1CCCO1 ZINC000775342285 628012663 /nfs/dbraw/zinc/01/26/63/628012663.db2.gz QBDALZHASCPOSF-STQMWFEESA-N 1 1 278.421 2.711 20 30 CFEDMO C#CC[C@H]([NH2+]Cc1cccc(OC)n1)c1ccccc1 ZINC000775400760 628020794 /nfs/dbraw/zinc/02/07/94/628020794.db2.gz LQFXJNHVKDTLIQ-INIZCTEOSA-N 1 1 266.344 2.944 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(OCC#N)cc1 ZINC000775407962 628021471 /nfs/dbraw/zinc/02/14/71/628021471.db2.gz RVYYVWTWPDZLID-OLZOCXBDSA-N 1 1 284.363 2.734 20 30 CFEDMO C=C(Br)C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000775552579 628034738 /nfs/dbraw/zinc/03/47/38/628034738.db2.gz IMFKTQRBQNBUOS-UHFFFAOYSA-N 1 1 296.164 2.903 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)[C@H]1CCCO1 ZINC000775573087 628041752 /nfs/dbraw/zinc/04/17/52/628041752.db2.gz FWWWBTPMUFHXFE-NZVBXONLSA-N 1 1 265.303 2.796 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000775576862 628043210 /nfs/dbraw/zinc/04/32/10/628043210.db2.gz GRZJDPKXHDWMDU-CYBMUJFWSA-N 1 1 268.401 2.942 20 30 CFEDMO C#CC[N@@H+](CC#CC)Cc1cc(Cl)cc(C)c1O ZINC000775709266 628057729 /nfs/dbraw/zinc/05/77/29/628057729.db2.gz RVLGGKVDHFPUGV-UHFFFAOYSA-N 1 1 261.752 2.813 20 30 CFEDMO C#CC[N@H+](CC#CC)Cc1cc(Cl)cc(C)c1O ZINC000775709266 628057735 /nfs/dbraw/zinc/05/77/35/628057735.db2.gz RVLGGKVDHFPUGV-UHFFFAOYSA-N 1 1 261.752 2.813 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000775790625 628067877 /nfs/dbraw/zinc/06/78/77/628067877.db2.gz QUHVVRQGRQAXGY-JSGCOSHPSA-N 1 1 294.738 2.519 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccccc1OC(C)C)[C@H]1CCCO1 ZINC000775792431 628068922 /nfs/dbraw/zinc/06/89/22/628068922.db2.gz SBIZBJNSBHODMV-DOTOQJQBSA-N 1 1 273.376 2.744 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)[C@H]1CCCO1 ZINC000775805175 628070785 /nfs/dbraw/zinc/07/07/85/628070785.db2.gz DOMWBGZQRJQXGX-HUUCEWRRSA-N 1 1 288.391 2.529 20 30 CFEDMO N#CC1(C[NH+]2CCC([C@H](O)c3ccccc3)CC2)CC1 ZINC000775934331 628085856 /nfs/dbraw/zinc/08/58/56/628085856.db2.gz VVHAHCJDMWVMFK-MRXNPFEDSA-N 1 1 270.376 2.736 20 30 CFEDMO N#CC1(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000775971222 628088538 /nfs/dbraw/zinc/08/85/38/628088538.db2.gz AXBOIQCSSGTTIX-CHWSQXEVSA-N 1 1 276.405 2.940 20 30 CFEDMO N#CC1(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000775971222 628088542 /nfs/dbraw/zinc/08/85/42/628088542.db2.gz AXBOIQCSSGTTIX-CHWSQXEVSA-N 1 1 276.405 2.940 20 30 CFEDMO CC[C@]1(C)COCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000775981635 628090198 /nfs/dbraw/zinc/09/01/98/628090198.db2.gz SDLMXXMUHZLNFK-WMLDXEAASA-N 1 1 288.391 2.978 20 30 CFEDMO CC[N@@H+](CCN[C@H](C)c1ccc(OCC#N)cc1)C(C)C ZINC000776158419 628108295 /nfs/dbraw/zinc/10/82/95/628108295.db2.gz XKKQETZSCDIDQX-OAHLLOKOSA-N 1 1 289.423 2.970 20 30 CFEDMO CCN(CC[NH2+][C@H](C)c1ccc(OCC#N)cc1)C(C)C ZINC000776158419 628108297 /nfs/dbraw/zinc/10/82/97/628108297.db2.gz XKKQETZSCDIDQX-OAHLLOKOSA-N 1 1 289.423 2.970 20 30 CFEDMO C=CCCC[C@H](C)NC(=S)NC[C@H]1CCC[N@@H+]1CC ZINC000776203997 628116471 /nfs/dbraw/zinc/11/64/71/628116471.db2.gz UEENCPVNGPAJNT-UONOGXRCSA-N 1 1 283.485 2.680 20 30 CFEDMO C=CCCC[C@H](C)NC(=S)NC[C@@H]1CCC[N@@H+]1CC ZINC000776203987 628116558 /nfs/dbraw/zinc/11/65/58/628116558.db2.gz UEENCPVNGPAJNT-KBPBESRZSA-N 1 1 283.485 2.680 20 30 CFEDMO C=CCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000776608685 628164747 /nfs/dbraw/zinc/16/47/47/628164747.db2.gz DSUYJAHDMPZRQA-STQMWFEESA-N 1 1 268.401 2.892 20 30 CFEDMO C=C(C)C[N@H+](CCC(OC)OC)Cc1cnn(C(C)C)c1 ZINC000852041171 634634619 /nfs/dbraw/zinc/63/46/19/634634619.db2.gz QWILQZXUUHKPII-UHFFFAOYSA-N 1 1 295.427 2.851 20 30 CFEDMO C#CCOc1cc(F)ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000777119358 628201199 /nfs/dbraw/zinc/20/11/99/628201199.db2.gz MORJELRFGOTCJG-HUUCEWRRSA-N 1 1 288.366 2.876 20 30 CFEDMO CC(C)[N@@H+]1CC(=NOCCC(F)(F)F)[C@H](C)C1 ZINC000777462733 628228193 /nfs/dbraw/zinc/22/81/93/628228193.db2.gz JXLGHLKVWDUAPF-SECBINFHSA-N 1 1 252.280 2.672 20 30 CFEDMO C#CCOCC[N@H+](C)CCc1cccc(Br)c1 ZINC000852072824 634642918 /nfs/dbraw/zinc/64/29/18/634642918.db2.gz KFQGRWMVANVNHH-UHFFFAOYSA-N 1 1 296.208 2.573 20 30 CFEDMO C#CCOc1cccc(Cl)c1CNC[C@@H]1CCC[N@@H+]1C ZINC000778163809 628282435 /nfs/dbraw/zinc/28/24/35/628282435.db2.gz IAMSNAYLZYJNAS-ZDUSSCGKSA-N 1 1 292.810 2.536 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCN1C ZINC000778163809 628282437 /nfs/dbraw/zinc/28/24/37/628282437.db2.gz IAMSNAYLZYJNAS-ZDUSSCGKSA-N 1 1 292.810 2.536 20 30 CFEDMO C[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1F ZINC000778231913 628290542 /nfs/dbraw/zinc/29/05/42/628290542.db2.gz DGZBYKGMUQBQIY-WFASDCNBSA-N 1 1 262.328 2.769 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1F ZINC000778231913 628290543 /nfs/dbraw/zinc/29/05/43/628290543.db2.gz DGZBYKGMUQBQIY-WFASDCNBSA-N 1 1 262.328 2.769 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000779158357 628356569 /nfs/dbraw/zinc/35/65/69/628356569.db2.gz OOUIUSBEPPRUKD-MRXNPFEDSA-N 1 1 293.794 2.699 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](OC)C1 ZINC000779157882 628357216 /nfs/dbraw/zinc/35/72/16/628357216.db2.gz IUJSDPJHLDLJMR-GFCCVEGCSA-N 1 1 279.767 2.573 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](OC)C1 ZINC000779157882 628357220 /nfs/dbraw/zinc/35/72/20/628357220.db2.gz IUJSDPJHLDLJMR-GFCCVEGCSA-N 1 1 279.767 2.573 20 30 CFEDMO C#CC[NH2+]CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 ZINC000779314638 628372986 /nfs/dbraw/zinc/37/29/86/628372986.db2.gz KPJNRHMRLPDUHF-UHFFFAOYSA-N 1 1 299.399 2.588 20 30 CFEDMO COC[C@H](C)NN=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779781506 628403044 /nfs/dbraw/zinc/40/30/44/628403044.db2.gz BJIBVUDZIQKVKQ-WMLDXEAASA-N 1 1 289.423 2.509 20 30 CFEDMO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cc(Cl)sc1Cl ZINC000779799698 628407887 /nfs/dbraw/zinc/40/78/87/628407887.db2.gz WRJUOOCJXYDSEV-RXMQYKEDSA-N 1 1 291.207 2.716 20 30 CFEDMO COc1ccc(C=NNc2cc[nH+]cc2)cc1OCC(C)C ZINC000779807170 628407986 /nfs/dbraw/zinc/40/79/86/628407986.db2.gz ONMQDZRJCOVRDZ-UHFFFAOYSA-N 1 1 299.374 2.993 20 30 CFEDMO CC(C)Cc1ncc(C=NNc2cc[nH+]cc2)s1 ZINC000779807330 628408297 /nfs/dbraw/zinc/40/82/97/628408297.db2.gz RTKVCTOFWLBLAD-UHFFFAOYSA-N 1 1 260.366 2.605 20 30 CFEDMO FC(F)Oc1cccc(C=NNc2cc[nH+]cc2)c1 ZINC000779809120 628408542 /nfs/dbraw/zinc/40/85/42/628408542.db2.gz FKGNZLRVTBJSDN-UHFFFAOYSA-N 1 1 263.247 2.551 20 30 CFEDMO O=[N+]([O-])c1ccc(Cl)cc1C=NNc1cc[nH+]cc1 ZINC000779808331 628408788 /nfs/dbraw/zinc/40/87/88/628408788.db2.gz IMVCZMPBQKLGNS-UHFFFAOYSA-N 1 1 276.683 2.511 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1cnn(Cc2ccccc2)c1 ZINC000779809064 628408794 /nfs/dbraw/zinc/40/87/94/628408794.db2.gz DWDWIEGETFDSGX-UHFFFAOYSA-N 1 1 291.358 2.584 20 30 CFEDMO C=C(C)COc1cc(C=NNc2cc[nH+]cc2)ccc1OC ZINC000779808768 628408819 /nfs/dbraw/zinc/40/88/19/628408819.db2.gz AGIIOLCHVKPSID-UHFFFAOYSA-N 1 1 297.358 2.913 20 30 CFEDMO C#CCCCCCC(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000779936011 628420073 /nfs/dbraw/zinc/42/00/73/628420073.db2.gz KRHPTESDXAJJRA-UHFFFAOYSA-N 1 1 299.418 2.622 20 30 CFEDMO C#CCCCCCC(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000780016087 628426951 /nfs/dbraw/zinc/42/69/51/628426951.db2.gz CMNAMGALPMIZCV-LSDHHAIUSA-N 1 1 264.413 2.511 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1nccn1-c1ccccc1 ZINC000852103340 634657755 /nfs/dbraw/zinc/65/77/55/634657755.db2.gz DYUMTIGHWBSNFP-INIZCTEOSA-N 1 1 253.349 2.764 20 30 CFEDMO COc1ccc(C)cc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780556230 628476211 /nfs/dbraw/zinc/47/62/11/628476211.db2.gz NIKUBCGEMNTVQE-UHFFFAOYSA-N 1 1 267.332 2.560 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nnnn1C1CCCCC1 ZINC000852103595 634658912 /nfs/dbraw/zinc/65/89/12/634658912.db2.gz LRFFLQJJLHICSV-WFASDCNBSA-N 1 1 275.400 2.631 20 30 CFEDMO C=C(C)CNC(=S)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781113489 628522884 /nfs/dbraw/zinc/52/28/84/628522884.db2.gz DJBZZZPDJYLSPN-KBPBESRZSA-N 1 1 295.496 2.680 20 30 CFEDMO C#CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC000781990036 628595418 /nfs/dbraw/zinc/59/54/18/628595418.db2.gz YDLJZMJIYPOPAI-OAHLLOKOSA-N 1 1 294.439 2.977 20 30 CFEDMO C#CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CCC ZINC000782094299 628603809 /nfs/dbraw/zinc/60/38/09/628603809.db2.gz AHHGQWORDUQGCK-CQSZACIVSA-N 1 1 280.412 2.731 20 30 CFEDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCCCC(C)(C)C#N ZINC000783775079 628744851 /nfs/dbraw/zinc/74/48/51/628744851.db2.gz AXOVXYZVYWYXGD-ZDUSSCGKSA-N 1 1 266.385 2.734 20 30 CFEDMO CC[N@H+]1CCCC[C@H]1C(=O)OCCCC(C)(C)C#N ZINC000783775079 628744855 /nfs/dbraw/zinc/74/48/55/628744855.db2.gz AXOVXYZVYWYXGD-ZDUSSCGKSA-N 1 1 266.385 2.734 20 30 CFEDMO Cc1nn(-c2cc[nH+]cc2)cc1CN=Nc1cc(C)ccn1 ZINC000783854745 628750192 /nfs/dbraw/zinc/75/01/92/628750192.db2.gz AAOHNEKBFHAORX-UHFFFAOYSA-N 1 1 292.346 2.725 20 30 CFEDMO Cc1cc(C=NNc2cc[nH+]cc2)cc2cccnc12 ZINC000783865993 628751422 /nfs/dbraw/zinc/75/14/22/628751422.db2.gz FTEMKRDRSAVMOM-UHFFFAOYSA-N 1 1 262.316 2.806 20 30 CFEDMO C[C@H]1CC(N=Nc2ccc(C#N)c(Cl)c2)C[N@H+]1C ZINC000783880794 628753016 /nfs/dbraw/zinc/75/30/16/628753016.db2.gz MXCICHARQSZDDQ-VIFPVBQESA-N 1 1 262.744 2.704 20 30 CFEDMO C[C@@H]1CCOCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000784354389 628808832 /nfs/dbraw/zinc/80/88/32/628808832.db2.gz WAULGAOTBKULOR-LLVKDONJSA-N 1 1 264.756 2.822 20 30 CFEDMO C[C@@H]1CCOCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000784354389 628808833 /nfs/dbraw/zinc/80/88/33/628808833.db2.gz WAULGAOTBKULOR-LLVKDONJSA-N 1 1 264.756 2.822 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000784399552 628813880 /nfs/dbraw/zinc/81/38/80/628813880.db2.gz DZBUBISHZSZCDC-AWEZNQCLSA-N 1 1 275.371 2.535 20 30 CFEDMO COC(=O)Cc1ccccc1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000784452259 628818421 /nfs/dbraw/zinc/81/84/21/628818421.db2.gz UJIJNKRKMZNPHT-KRWDZBQOSA-N 1 1 286.375 2.528 20 30 CFEDMO COC(=O)Cc1ccccc1C[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000784452259 628818423 /nfs/dbraw/zinc/81/84/23/628818423.db2.gz UJIJNKRKMZNPHT-KRWDZBQOSA-N 1 1 286.375 2.528 20 30 CFEDMO CC(=O)c1ccc(C#N)cc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000785747617 628910592 /nfs/dbraw/zinc/91/05/92/628910592.db2.gz NZHKQPJOFJGBBE-HUUCEWRRSA-N 1 1 283.375 2.800 20 30 CFEDMO C=CCC[N@H+](C)CN1CC[C@](C)(Cc2ccccc2)C1=O ZINC000786101720 628937184 /nfs/dbraw/zinc/93/71/84/628937184.db2.gz ODZFIUZPBFJKDW-GOSISDBHSA-N 1 1 286.419 2.933 20 30 CFEDMO C#CC[C@@H](NC(=O)N[C@H]1CC[N@H+](CCC)C1)c1ccccc1 ZINC000852229276 634697647 /nfs/dbraw/zinc/69/76/47/634697647.db2.gz QHCXRBPATBZEDH-DLBZAZTESA-N 1 1 299.418 2.535 20 30 CFEDMO CCOC1CC([N@@H+](C)CCCOc2ccc(C#N)cc2)C1 ZINC000805820108 628981615 /nfs/dbraw/zinc/98/16/15/628981615.db2.gz FEJYWZNXDNPEIS-UHFFFAOYSA-N 1 1 288.391 2.826 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](COC)c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000786914191 628984446 /nfs/dbraw/zinc/98/44/46/628984446.db2.gz AGMPGPAZNUPJTL-JYJNAYRXSA-N 1 1 293.794 2.798 20 30 CFEDMO FC(F)C(F)(F)COCC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000787271889 629003346 /nfs/dbraw/zinc/00/33/46/629003346.db2.gz MHYHBUSAOORXEG-SSDOTTSWSA-N 1 1 297.214 2.788 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000787307949 629006030 /nfs/dbraw/zinc/00/60/30/629006030.db2.gz AQYCBTJLECARKU-SFHVURJKSA-N 1 1 299.462 2.979 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000787307949 629006034 /nfs/dbraw/zinc/00/60/34/629006034.db2.gz AQYCBTJLECARKU-SFHVURJKSA-N 1 1 299.462 2.979 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000787311080 629006242 /nfs/dbraw/zinc/00/62/42/629006242.db2.gz RCNYMCHQYCMPIO-CYBMUJFWSA-N 1 1 277.364 2.950 20 30 CFEDMO CCCCCCC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000787329037 629007609 /nfs/dbraw/zinc/00/76/09/629007609.db2.gz BWQHNQXVLNSPGH-MJBXVCDLSA-N 1 1 252.402 2.543 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)C[C@@H](O)COc1c(C)ccc(C)c1C ZINC000787997960 629047568 /nfs/dbraw/zinc/04/75/68/629047568.db2.gz TWGZOSHYHGPWNA-MRXNPFEDSA-N 1 1 289.419 2.695 20 30 CFEDMO C#CCC1(C(=O)N2CC[N@@H+](CC)[C@H](C)C2)CCCCC1 ZINC000788235737 629052472 /nfs/dbraw/zinc/05/24/72/629052472.db2.gz YXCVMPQHCRVJHQ-OAHLLOKOSA-N 1 1 276.424 2.513 20 30 CFEDMO C#CCC1(C(=O)N2CC[N@H+](CC)[C@H](C)C2)CCCCC1 ZINC000788235737 629052476 /nfs/dbraw/zinc/05/24/76/629052476.db2.gz YXCVMPQHCRVJHQ-OAHLLOKOSA-N 1 1 276.424 2.513 20 30 CFEDMO C=CC[NH+](CC=C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000788475081 629072606 /nfs/dbraw/zinc/07/26/06/629072606.db2.gz PTPYVJJFZWYJNX-UHFFFAOYSA-N 1 1 250.273 2.908 20 30 CFEDMO CCCCCCCCC[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000789354447 629150474 /nfs/dbraw/zinc/15/04/74/629150474.db2.gz IUANECLHVPCMFI-MRXNPFEDSA-N 1 1 266.429 2.949 20 30 CFEDMO CN(CCC[N@H+]1CCC[C@H](CC#N)C1)C(=O)OC(C)(C)C ZINC000852319472 634718784 /nfs/dbraw/zinc/71/87/84/634718784.db2.gz NKCDJZOCFSUQMR-CQSZACIVSA-N 1 1 295.427 2.869 20 30 CFEDMO Cc1cc(C)cc([C@H](O)C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000852319060 634719137 /nfs/dbraw/zinc/71/91/37/634719137.db2.gz GHCSMHJIPBDFDV-DOTOQJQBSA-N 1 1 272.392 2.963 20 30 CFEDMO COc1cccc(O)c1/C=N\C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000790597746 629251279 /nfs/dbraw/zinc/25/12/79/629251279.db2.gz DQTVWDXWNJDKQH-GYXHFJGISA-N 1 1 290.407 2.940 20 30 CFEDMO CCCCCC[C@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000852320313 634721344 /nfs/dbraw/zinc/72/13/44/634721344.db2.gz YVLKXSMRICEMCL-CABCVRRESA-N 1 1 252.402 2.943 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](CC2(Br)CC2)C1 ZINC000852319724 634721476 /nfs/dbraw/zinc/72/14/76/634721476.db2.gz BRYUPNVBFTVQHS-JTQLQIEISA-N 1 1 257.175 2.540 20 30 CFEDMO C#C[C@H](CCC)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000791147123 629290081 /nfs/dbraw/zinc/29/00/81/629290081.db2.gz WHOFKKSAHAIOQQ-CQSZACIVSA-N 1 1 264.413 2.559 20 30 CFEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000852330150 634723942 /nfs/dbraw/zinc/72/39/42/634723942.db2.gz ATUDNVIFNLDIHA-DOTOQJQBSA-N 1 1 285.391 2.508 20 30 CFEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000852330150 634723948 /nfs/dbraw/zinc/72/39/48/634723948.db2.gz ATUDNVIFNLDIHA-DOTOQJQBSA-N 1 1 285.391 2.508 20 30 CFEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCC2CCOCC2)C1 ZINC000852333193 634724591 /nfs/dbraw/zinc/72/45/91/634724591.db2.gz HXHOMAYJZVIPNW-SFHVURJKSA-N 1 1 299.418 2.755 20 30 CFEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCC2CCOCC2)C1 ZINC000852333193 634724598 /nfs/dbraw/zinc/72/45/98/634724598.db2.gz HXHOMAYJZVIPNW-SFHVURJKSA-N 1 1 299.418 2.755 20 30 CFEDMO C#CCCC[N@@H+]1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 ZINC000852335276 634724895 /nfs/dbraw/zinc/72/48/95/634724895.db2.gz HTROLFWWWWHXRK-UHFFFAOYSA-N 1 1 296.292 2.916 20 30 CFEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC2CC=CC2)C1 ZINC000852332911 634725036 /nfs/dbraw/zinc/72/50/36/634725036.db2.gz XADKQEXIPWPAND-KRWDZBQOSA-N 1 1 267.376 2.905 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000791538487 629329213 /nfs/dbraw/zinc/32/92/13/629329213.db2.gz AQFKIEQXZLBOEQ-KSSFIOAISA-N 1 1 267.372 2.697 20 30 CFEDMO C=C(Cl)CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000791623458 629339861 /nfs/dbraw/zinc/33/98/61/629339861.db2.gz LDMZDKXTEIULKC-IYBDPMFKSA-N 1 1 276.811 2.803 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCCC2(CCCC2)CC1 ZINC000852354304 634731486 /nfs/dbraw/zinc/73/14/86/634731486.db2.gz AZEYAVWTBDCPAL-AWEZNQCLSA-N 1 1 250.386 2.961 20 30 CFEDMO C=CC[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)[C@H](C)COC ZINC000852357620 634731912 /nfs/dbraw/zinc/73/19/12/634731912.db2.gz FEVGYLDWWSXAHK-ABAIWWIYSA-N 1 1 285.334 2.521 20 30 CFEDMO C=CC[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)[C@@H](C)COC ZINC000852357623 634732129 /nfs/dbraw/zinc/73/21/29/634732129.db2.gz FEVGYLDWWSXAHK-XHDPSFHLSA-N 1 1 285.334 2.521 20 30 CFEDMO C=CC[N@@H+](C[C@H]1CC1(Cl)Cl)[C@@H](C)COC ZINC000852360238 634733861 /nfs/dbraw/zinc/73/38/61/634733861.db2.gz WKWPHBVWPJSKQY-VHSXEESVSA-N 1 1 252.185 2.703 20 30 CFEDMO C#CC[N@@H+](CC#CC)Cc1ccc(-n2ccnc2)cc1C ZINC000792227922 629412903 /nfs/dbraw/zinc/41/29/03/629412903.db2.gz FEKZHMZWAOCZJN-UHFFFAOYSA-N 1 1 277.371 2.639 20 30 CFEDMO C#CC[N@H+](CC#CC)Cc1ccc(-n2ccnc2)cc1C ZINC000792227922 629412907 /nfs/dbraw/zinc/41/29/07/629412907.db2.gz FEKZHMZWAOCZJN-UHFFFAOYSA-N 1 1 277.371 2.639 20 30 CFEDMO CC(C)n1nccc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000793000871 629474957 /nfs/dbraw/zinc/47/49/57/629474957.db2.gz JOEZJAJTGNJLES-UHFFFAOYSA-N 1 1 272.327 2.765 20 30 CFEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ncc(Cl)n2C)C1 ZINC000852411059 634740000 /nfs/dbraw/zinc/74/00/00/634740000.db2.gz RSSZRRIZPWDVFO-LLVKDONJSA-N 1 1 253.777 2.862 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](Cc2ncc(Cl)n2C)C1 ZINC000852411059 634740006 /nfs/dbraw/zinc/74/00/06/634740006.db2.gz RSSZRRIZPWDVFO-LLVKDONJSA-N 1 1 253.777 2.862 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000852410080 634740430 /nfs/dbraw/zinc/74/04/30/634740430.db2.gz HJNQSJMJQUNTDC-RDJZCZTQSA-N 1 1 270.376 2.880 20 30 CFEDMO CCCC[N@@H+](CC)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793482950 629555253 /nfs/dbraw/zinc/55/52/53/629555253.db2.gz JANJFZWGZOXNHW-UHFFFAOYSA-N 1 1 287.407 2.678 20 30 CFEDMO C[C@@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793490967 629556231 /nfs/dbraw/zinc/55/62/31/629556231.db2.gz NKRXWBMLZLSKSS-CQSZACIVSA-N 1 1 299.418 2.678 20 30 CFEDMO C[C@@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793490967 629556233 /nfs/dbraw/zinc/55/62/33/629556233.db2.gz NKRXWBMLZLSKSS-CQSZACIVSA-N 1 1 299.418 2.678 20 30 CFEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793503395 629558055 /nfs/dbraw/zinc/55/80/55/629558055.db2.gz ICGYERNOYALTMV-HIFRSBDPSA-N 1 1 299.418 2.677 20 30 CFEDMO C=CCC[N@H+](C)CN1CC[C@@H](CCc2ccccc2)C1=O ZINC000793515653 629559682 /nfs/dbraw/zinc/55/96/82/629559682.db2.gz KHIREZFDMQDWNN-QGZVFWFLSA-N 1 1 286.419 2.933 20 30 CFEDMO C=CCCCCC[C@@H](C)[NH2+]CCc1n[nH]c(C)n1 ZINC000793555012 629570329 /nfs/dbraw/zinc/57/03/29/629570329.db2.gz SONNCBXTAKIJDB-GFCCVEGCSA-N 1 1 250.390 2.770 20 30 CFEDMO C=CCCCCC[C@@H](C)[NH2+]CCc1nnc(C)[nH]1 ZINC000793555012 629570335 /nfs/dbraw/zinc/57/03/35/629570335.db2.gz SONNCBXTAKIJDB-GFCCVEGCSA-N 1 1 250.390 2.770 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)C[C@@H](O)c1ccc(Br)cc1 ZINC000794574214 629663011 /nfs/dbraw/zinc/66/30/11/629663011.db2.gz CBTYDUVTYSPPPB-CYBMUJFWSA-N 1 1 296.208 2.826 20 30 CFEDMO C#CC(C)(C)[N@H+](C)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000794579289 629664334 /nfs/dbraw/zinc/66/43/34/629664334.db2.gz ZGBJDQXSRIWKRC-UHFFFAOYSA-N 1 1 285.343 2.645 20 30 CFEDMO CC(C)C[NH+](CC(C)C)Cn1nc(CC#N)n(C)c1=S ZINC000794616436 629668603 /nfs/dbraw/zinc/66/86/03/629668603.db2.gz KFGCQCASXLUQSQ-UHFFFAOYSA-N 1 1 295.456 2.589 20 30 CFEDMO CC(CCc1ccc(F)cc1F)=NN1CC[NH+](C)CC1 ZINC000794856213 629696171 /nfs/dbraw/zinc/69/61/71/629696171.db2.gz GSIBOEYMBYMCHN-UHFFFAOYSA-N 1 1 281.350 2.521 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1cncnc1 ZINC000794977045 629714370 /nfs/dbraw/zinc/71/43/70/629714370.db2.gz WTZBHMLXXLKTGE-AWEZNQCLSA-N 1 1 295.390 2.787 20 30 CFEDMO Cc1[nH+]ccn1-c1ccc(C(C)N=Nc2cncnc2)cc1 ZINC000794978606 629715124 /nfs/dbraw/zinc/71/51/24/629715124.db2.gz OZITYHZHRSHHEB-UHFFFAOYSA-N 1 1 292.346 2.807 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000852495685 634761022 /nfs/dbraw/zinc/76/10/22/634761022.db2.gz MLEWGITXACWMIY-UONOGXRCSA-N 1 1 252.402 2.557 20 30 CFEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000795744003 629829151 /nfs/dbraw/zinc/82/91/51/629829151.db2.gz KUCOGLZKQKIILO-WMLDXEAASA-N 1 1 293.370 2.761 20 30 CFEDMO C[C@@H](C#N)C[N@H+](CC[C@@H](O)c1ccccc1)C1CC1 ZINC000795964515 629855399 /nfs/dbraw/zinc/85/53/99/629855399.db2.gz UOEQJVYVTAQIJD-XJKSGUPXSA-N 1 1 258.365 2.734 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](CC[C@@H](O)c1ccccc1)C1CC1 ZINC000795964515 629855406 /nfs/dbraw/zinc/85/54/06/629855406.db2.gz UOEQJVYVTAQIJD-XJKSGUPXSA-N 1 1 258.365 2.734 20 30 CFEDMO C#CCC[N@@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852514158 634769388 /nfs/dbraw/zinc/76/93/88/634769388.db2.gz BLWFAVHGIVTXQH-LBPRGKRZSA-N 1 1 272.175 2.982 20 30 CFEDMO C#CCC[N@H+](C)[C@@H](CO)c1cccc(Cl)c1Cl ZINC000852514158 634769390 /nfs/dbraw/zinc/76/93/90/634769390.db2.gz BLWFAVHGIVTXQH-LBPRGKRZSA-N 1 1 272.175 2.982 20 30 CFEDMO C=C(C)[C@H](CC(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)OCC ZINC000835601524 629872245 /nfs/dbraw/zinc/87/22/45/629872245.db2.gz VKWLULCZVIXUIU-UYTSQGDYSA-N 1 1 295.423 2.774 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)c1ccc(F)cc1 ZINC000796640969 629944411 /nfs/dbraw/zinc/94/44/11/629944411.db2.gz SYVFTTJSKGZHJZ-SFHVURJKSA-N 1 1 283.346 2.995 20 30 CFEDMO C#CC[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(C)C)C1=O ZINC000796641228 629944597 /nfs/dbraw/zinc/94/45/97/629944597.db2.gz NCJFBVWKFFEZIX-QGZVFWFLSA-N 1 1 284.403 2.521 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(C)C)C1=O ZINC000796641228 629944601 /nfs/dbraw/zinc/94/46/01/629944601.db2.gz NCJFBVWKFFEZIX-QGZVFWFLSA-N 1 1 284.403 2.521 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccoc1C(C)C ZINC000796690193 629950594 /nfs/dbraw/zinc/95/05/94/629950594.db2.gz UWNIOPCBUKIAMX-ZDUSSCGKSA-N 1 1 275.348 2.657 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccoc1C(C)C ZINC000796690193 629950597 /nfs/dbraw/zinc/95/05/97/629950597.db2.gz UWNIOPCBUKIAMX-ZDUSSCGKSA-N 1 1 275.348 2.657 20 30 CFEDMO C=CCC[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccco1 ZINC000796832407 629975224 /nfs/dbraw/zinc/97/52/24/629975224.db2.gz OUPKIUUPNMTWEE-AWEZNQCLSA-N 1 1 297.420 2.701 20 30 CFEDMO Cc1cc(C)cc(-n2ncc(C[NH2+]CC3(CC#N)CC3)n2)c1 ZINC000797468849 630071100 /nfs/dbraw/zinc/07/11/00/630071100.db2.gz PVERCOLKUDJXLK-UHFFFAOYSA-N 1 1 295.390 2.668 20 30 CFEDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000797586365 630083871 /nfs/dbraw/zinc/08/38/71/630083871.db2.gz CCHHZNJVZWJVGB-LLVKDONJSA-N 1 1 288.347 2.523 20 30 CFEDMO C=CC[C@H](CC)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000798501727 630196307 /nfs/dbraw/zinc/19/63/07/630196307.db2.gz LWFRTYKNPVBODB-KRWDZBQOSA-N 1 1 287.451 2.883 20 30 CFEDMO C#C[C@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)C(C)C ZINC000798510873 630197841 /nfs/dbraw/zinc/19/78/41/630197841.db2.gz ZVYRXFHLANXXIX-INIZCTEOSA-N 1 1 293.455 2.598 20 30 CFEDMO CC(C)[C@@H](C(=O)[C@H](C#N)c1ccc2ccccc2n1)[NH+](C)C ZINC000798814300 630240632 /nfs/dbraw/zinc/24/06/32/630240632.db2.gz KCFKKBMPUKOUIH-PBHICJAKSA-N 1 1 295.386 2.997 20 30 CFEDMO Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1C#N ZINC000799309631 630296141 /nfs/dbraw/zinc/29/61/41/630296141.db2.gz JENAUNRTNKEICF-HUUCEWRRSA-N 1 1 299.418 2.859 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)C[C@H](O)c1ccc(F)cn1 ZINC000799317795 630296658 /nfs/dbraw/zinc/29/66/58/630296658.db2.gz VVLUEELOANNFMI-INIZCTEOSA-N 1 1 290.338 2.578 20 30 CFEDMO Cc1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1C#N ZINC000799576584 630322221 /nfs/dbraw/zinc/32/22/21/630322221.db2.gz HUKKDHNDMGWLBF-HIFRSBDPSA-N 1 1 299.418 2.717 20 30 CFEDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc(C)c(C#N)c1 ZINC000799641286 630327781 /nfs/dbraw/zinc/32/77/81/630327781.db2.gz CWRIFRZYPXGHMV-UHFFFAOYSA-N 1 1 296.374 2.582 20 30 CFEDMO C[C@@]1(C#N)CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852684284 634805941 /nfs/dbraw/zinc/80/59/41/634805941.db2.gz DEOLYQSULGJBHW-KBPBESRZSA-N 1 1 298.308 2.974 20 30 CFEDMO C[C@@]1(C#N)CC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852684284 634805946 /nfs/dbraw/zinc/80/59/46/634805946.db2.gz DEOLYQSULGJBHW-KBPBESRZSA-N 1 1 298.308 2.974 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(Cl)ncnc1N(C)C ZINC000852688587 634807377 /nfs/dbraw/zinc/80/73/77/634807377.db2.gz WBNYPGYHFROZEY-TXEJJXNPSA-N 1 1 292.814 2.879 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1c(Cl)ncnc1N(C)C ZINC000852688587 634807380 /nfs/dbraw/zinc/80/73/80/634807380.db2.gz WBNYPGYHFROZEY-TXEJJXNPSA-N 1 1 292.814 2.879 20 30 CFEDMO C=CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000800335324 630371717 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COc1ccc2c(c1)C[C@H](C)[N@H+](CCO[C@H](C)C#N)[C@@H]2C ZINC000801938786 630492335 /nfs/dbraw/zinc/49/23/35/630492335.db2.gz LSBURBGCUFZHFP-BFHYXJOUSA-N 1 1 288.391 2.931 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000801940505 630493029 /nfs/dbraw/zinc/49/30/29/630493029.db2.gz NOLFJHHMZKPBAV-AWEZNQCLSA-N 1 1 281.359 2.576 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000801950400 630494277 /nfs/dbraw/zinc/49/42/77/630494277.db2.gz VMCOWRHQABDXLH-QWRGUYRKSA-N 1 1 278.318 2.825 20 30 CFEDMO CSc1ccccc1C[N@@H+](C)CCO[C@H](C)C#N ZINC000801952365 630495222 /nfs/dbraw/zinc/49/52/22/630495222.db2.gz ULUWGGZHLPSLTO-GFCCVEGCSA-N 1 1 264.394 2.769 20 30 CFEDMO C=CCCC[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852737472 634817073 /nfs/dbraw/zinc/81/70/73/634817073.db2.gz DLCFJDUWFZPMEV-CHWSQXEVSA-N 1 1 286.391 2.890 20 30 CFEDMO C=CCN1CCN(C[N@H+]2CCC[C@@H]2c2ccccc2)C1=O ZINC000839958287 630516561 /nfs/dbraw/zinc/51/65/61/630516561.db2.gz 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BGMPUTZKUDOSES-VQCLRJIVSA-N 1 1 256.349 2.536 20 30 CFEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@@H]1CC1(C)C ZINC000852772474 634830372 /nfs/dbraw/zinc/83/03/72/634830372.db2.gz NWTJYBWUMUJUQE-GJZGRUSLSA-N 1 1 286.375 2.750 20 30 CFEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CC1(C)C ZINC000852772474 634830378 /nfs/dbraw/zinc/83/03/78/634830378.db2.gz NWTJYBWUMUJUQE-GJZGRUSLSA-N 1 1 286.375 2.750 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000836490381 630833260 /nfs/dbraw/zinc/83/32/60/630833260.db2.gz YFHVXHHDRGTESN-HNNXBMFYSA-N 1 1 293.455 2.552 20 30 CFEDMO C#Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCC)c1 ZINC000807548924 630892064 /nfs/dbraw/zinc/89/20/64/630892064.db2.gz HSAGPQDFDHBZKF-INIZCTEOSA-N 1 1 285.391 2.664 20 30 CFEDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)/C=C/c1ccccc1C#N ZINC000836948047 630921922 /nfs/dbraw/zinc/92/19/22/630921922.db2.gz NMEHBCRUJOJDSP-FVNWOWOISA-N 1 1 297.402 2.514 20 30 CFEDMO CC(C)[N@@H+]1CC(N=Nc2nccnc2C2CCC2)[C@@H](C)C1 ZINC000807994265 630933843 /nfs/dbraw/zinc/93/38/43/630933843.db2.gz MJQNKCGVJKTUAA-LBPRGKRZSA-N 1 1 287.411 2.872 20 30 CFEDMO C#CC[N@@H+](Cc1ccc2c(c1)OCCO2)C1CCCC1 ZINC000102774640 630994833 /nfs/dbraw/zinc/99/48/33/630994833.db2.gz WTHXCNLVADGBLG-UHFFFAOYSA-N 1 1 271.360 2.836 20 30 CFEDMO C[C@@H](CNC(=O)C#CC(C)(C)C)[N@H+]1CCc2ccccc2C1 ZINC000837333052 631002513 /nfs/dbraw/zinc/00/25/13/631002513.db2.gz WCNLQQGFNWQOGI-HNNXBMFYSA-N 1 1 298.430 2.599 20 30 CFEDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1ccc(C#N)cc1 ZINC000837336241 631004282 /nfs/dbraw/zinc/00/42/82/631004282.db2.gz ZKBJWXNPGTZTGM-INIZCTEOSA-N 1 1 286.375 2.978 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)[C@]2(C)CC[C@H](C)C2(C)C)CC1 ZINC000837382431 631017694 /nfs/dbraw/zinc/01/76/94/631017694.db2.gz WIGHCPPWMGLGKM-YJBOKZPZSA-N 1 1 290.451 2.616 20 30 CFEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC000837440850 631030319 /nfs/dbraw/zinc/03/03/19/631030319.db2.gz PVABNZODDSSAEG-KRWDZBQOSA-N 1 1 298.430 2.769 20 30 CFEDMO C[N@H+]1CC[C@H](NC(=O)C#CC(C)(C)C)[C@H]1c1ccccc1 ZINC000837501239 631049582 /nfs/dbraw/zinc/04/95/82/631049582.db2.gz LUYRNVGULFDHED-DOTOQJQBSA-N 1 1 284.403 2.598 20 30 CFEDMO Cc1oc(C#N)cc1C(=O)OC[C@H]1CCCC[N@@H+]1C(C)C ZINC000837702347 631112165 /nfs/dbraw/zinc/11/21/65/631112165.db2.gz PWIANEJDMRFRGB-CYBMUJFWSA-N 1 1 290.363 2.879 20 30 CFEDMO Cc1ccc(C(=O)/C=C\c2c[nH+]c(N(C)C)n2C)s1 ZINC000840715481 631176206 /nfs/dbraw/zinc/17/62/06/631176206.db2.gz QEYBCKTWYDPAQZ-SREVYHEPSA-N 1 1 275.377 2.752 20 30 CFEDMO C#Cc1ccc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)cc1 ZINC000809541686 631230092 /nfs/dbraw/zinc/23/00/92/631230092.db2.gz NNKUUAAQJRGHCP-KRWDZBQOSA-N 1 1 293.366 2.940 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCCCC)C2)cc1 ZINC000809558780 631235148 /nfs/dbraw/zinc/23/51/48/631235148.db2.gz BJBJGJKQTLNWLX-GOSISDBHSA-N 1 1 298.430 2.796 20 30 CFEDMO C#Cc1ccc(CNC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000809606255 631244643 /nfs/dbraw/zinc/24/46/43/631244643.db2.gz OATXIIPLLTZBAY-HOTGVXAUSA-N 1 1 270.420 2.878 20 30 CFEDMO C#Cc1ccc(CNC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000809606255 631244644 /nfs/dbraw/zinc/24/46/44/631244644.db2.gz OATXIIPLLTZBAY-HOTGVXAUSA-N 1 1 270.420 2.878 20 30 CFEDMO C#Cc1ccc(C[NH2+]Cc2nccn2CC(C)C)cc1 ZINC000809633892 631252510 /nfs/dbraw/zinc/25/25/10/631252510.db2.gz WJOPYHRORSLMPF-UHFFFAOYSA-N 1 1 267.376 2.810 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@]2(CO)CCC)cc1 ZINC000809655080 631257235 /nfs/dbraw/zinc/25/72/35/631257235.db2.gz ZXIXHFQMPWLDBJ-KRWDZBQOSA-N 1 1 257.377 2.795 20 30 CFEDMO N#CC1(C[NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000809659531 631258341 /nfs/dbraw/zinc/25/83/41/631258341.db2.gz QMBFPIRIFHESMN-AWEZNQCLSA-N 1 1 258.390 2.910 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cnn(-c2cc(C)cc(C)c2)n1)C(C)C ZINC000809685479 631262789 /nfs/dbraw/zinc/26/27/89/631262789.db2.gz VOBMYBZXXHTMGE-KRWDZBQOSA-N 1 1 282.391 2.632 20 30 CFEDMO CC[N@H+](CCCN(C)C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809750164 631279329 /nfs/dbraw/zinc/27/93/29/631279329.db2.gz PLRKLCKEKMCIAW-OAHLLOKOSA-N 1 1 289.423 2.751 20 30 CFEDMO CC[N@@H+](CCCN(C)C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809750164 631279335 /nfs/dbraw/zinc/27/93/35/631279335.db2.gz PLRKLCKEKMCIAW-OAHLLOKOSA-N 1 1 289.423 2.751 20 30 CFEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(N(C)C)cc1 ZINC000810153248 631335153 /nfs/dbraw/zinc/33/51/53/631335153.db2.gz SGBVMOAFBHISHA-NSHDSACASA-N 1 1 286.404 2.932 20 30 CFEDMO C#CCOc1ccccc1CN[C@H](C)C[N@H+](CC)CCC ZINC000810179527 631340861 /nfs/dbraw/zinc/34/08/61/631340861.db2.gz CJPUBOKRTKNLQN-MRXNPFEDSA-N 1 1 288.435 2.909 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1ccccc1CC#N ZINC000840198015 631360795 /nfs/dbraw/zinc/36/07/95/631360795.db2.gz ZTWDHDIEPPOBIT-HNNXBMFYSA-N 1 1 286.375 2.784 20 30 CFEDMO C#C[C@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000841438962 631403850 /nfs/dbraw/zinc/40/38/50/631403850.db2.gz POOFGOGWEIOQHN-KRWDZBQOSA-N 1 1 298.430 2.599 20 30 CFEDMO CC([NH2+]Nc1ccc(S(C)(=O)=O)cc1)=C1CC1(F)F ZINC000841617145 631432402 /nfs/dbraw/zinc/43/24/02/631432402.db2.gz FJWVMTDOMKGKCZ-LLVKDONJSA-N 1 1 288.319 2.533 20 30 CFEDMO O=[N+]([O-])c1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCCC2 ZINC000841634132 631438725 /nfs/dbraw/zinc/43/87/25/631438725.db2.gz OGUPDSGCNDKFCH-UHFFFAOYSA-N 1 1 296.330 2.954 20 30 CFEDMO c1ccc([C@H]2CCCCC(N=NC3=[NH+]CCN3)C2)cc1 ZINC000841661022 631446114 /nfs/dbraw/zinc/44/61/14/631446114.db2.gz MUZFOTSLNTYNTG-AWEZNQCLSA-N 1 1 270.380 2.639 20 30 CFEDMO Cc1ccc(C(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C#N ZINC000810842506 631454766 /nfs/dbraw/zinc/45/47/66/631454766.db2.gz SEWHHDAHNBZXAE-JKSUJKDBSA-N 1 1 284.359 2.650 20 30 CFEDMO CN(C)c1ncc(C=[NH+]Nc2ccc(Cl)cc2)n1C ZINC000811629180 631590009 /nfs/dbraw/zinc/59/00/09/631590009.db2.gz UQOBUFNCUIVPEX-UHFFFAOYSA-N 1 1 277.759 2.586 20 30 CFEDMO CC(=[NH+]N[C@H](C)COc1ccccc1)c1csc(N)n1 ZINC000811667394 631602174 /nfs/dbraw/zinc/60/21/74/631602174.db2.gz UOIALQSCFUGTER-SNVBAGLBSA-N 1 1 290.392 2.506 20 30 CFEDMO C[NH+]1CCN(N=Cc2oc3ccccc3c2Cl)CC1 ZINC000842522786 631651966 /nfs/dbraw/zinc/65/19/66/631651966.db2.gz QNQVBUGRNZSQEW-UHFFFAOYSA-N 1 1 277.755 2.668 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cn2ccc(-c3ccc(F)cn3)n2)C1 ZINC000842629175 631685066 /nfs/dbraw/zinc/68/50/66/631685066.db2.gz KYYHZGBTZKFFKV-CQSZACIVSA-N 1 1 298.365 2.777 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000842628189 631685769 /nfs/dbraw/zinc/68/57/69/631685769.db2.gz SUDQQAHLWMAFQV-CYBMUJFWSA-N 1 1 298.346 2.637 20 30 CFEDMO C=CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)CC[C@@H]2C1)c1ccccc1 ZINC000812337767 631693256 /nfs/dbraw/zinc/69/32/56/631693256.db2.gz HSHQZARPRIJCEF-SQNIBIBYSA-N 1 1 298.430 2.756 20 30 CFEDMO C=CCCCCCCCNC(=O)N1CCC[N@H+](C)CC1 ZINC000812494209 631726806 /nfs/dbraw/zinc/72/68/06/631726806.db2.gz FADIMNBEIFEOIU-UHFFFAOYSA-N 1 1 281.444 2.860 20 30 CFEDMO C#CCN(C(=O)N[C@H](C)C[N@H+](CC)CCC)C1CCCC1 ZINC000812659987 631754634 /nfs/dbraw/zinc/75/46/34/631754634.db2.gz LWSPPGGBCLBZEW-OAHLLOKOSA-N 1 1 293.455 2.694 20 30 CFEDMO CC[N@H+](CC1(C#N)CC1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850459 631796968 /nfs/dbraw/zinc/79/69/68/631796968.db2.gz SRVWHFMHWJHJSF-UKRRQHHQSA-N 1 1 258.365 2.734 20 30 CFEDMO CC[N@@H+](CC1(C#N)CC1)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850459 631796972 /nfs/dbraw/zinc/79/69/72/631796972.db2.gz SRVWHFMHWJHJSF-UKRRQHHQSA-N 1 1 258.365 2.734 20 30 CFEDMO C#CC[N@H+](CC(=O)N(C)Cc1ccccc1)C1CCCC1 ZINC000155724088 650029979 /nfs/dbraw/zinc/02/99/79/650029979.db2.gz CYWLUDHAHWUNJD-UHFFFAOYSA-N 1 1 284.403 2.523 20 30 CFEDMO C#CC[N@H+](CC(=O)N1CCCC[C@H]1CC)C1CCCC1 ZINC000155868736 650035386 /nfs/dbraw/zinc/03/53/86/650035386.db2.gz SVRARJSDCGYEEP-OAHLLOKOSA-N 1 1 276.424 2.655 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000813338930 631908326 /nfs/dbraw/zinc/90/83/26/631908326.db2.gz VNRMLEXJUJYQGW-UONOGXRCSA-N 1 1 295.427 2.915 20 30 CFEDMO C#CC[N@H+](Cc1ccnn1CC(C)C)C1CCCC1 ZINC000843395812 631944934 /nfs/dbraw/zinc/94/49/34/631944934.db2.gz PUFBSCKFYCFHLF-UHFFFAOYSA-N 1 1 259.397 2.917 20 30 CFEDMO C[N@@H+](Cc1cc(C#N)cs1)C[C@@]1(O)CCc2ccccc21 ZINC000843420260 631949834 /nfs/dbraw/zinc/94/98/34/631949834.db2.gz AFILVPMRPVNKIG-KRWDZBQOSA-N 1 1 298.411 2.886 20 30 CFEDMO C[N@@H+](Cc1cc(C#N)cs1)C[C@]1(O)CCc2ccccc21 ZINC000843420261 631950314 /nfs/dbraw/zinc/95/03/14/631950314.db2.gz AFILVPMRPVNKIG-QGZVFWFLSA-N 1 1 298.411 2.886 20 30 CFEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000843420720 631951324 /nfs/dbraw/zinc/95/13/24/631951324.db2.gz FTJWMVXIXXYTAN-AEFFLSMTSA-N 1 1 299.418 2.647 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000843423569 631951840 /nfs/dbraw/zinc/95/18/40/631951840.db2.gz GEDHKXUBBKBEEL-CYBMUJFWSA-N 1 1 259.349 2.636 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000843423339 631951955 /nfs/dbraw/zinc/95/19/55/631951955.db2.gz MJSAQZHXPZMWMU-GFCCVEGCSA-N 1 1 265.788 2.617 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2nn(C)c(C)c2Cl)C1 ZINC000843423339 631951959 /nfs/dbraw/zinc/95/19/59/631951959.db2.gz MJSAQZHXPZMWMU-GFCCVEGCSA-N 1 1 265.788 2.617 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2c(CC)nn(C)c2CC)C1 ZINC000843423716 631952431 /nfs/dbraw/zinc/95/24/31/631952431.db2.gz IUKPWZONLYCDRR-AWEZNQCLSA-N 1 1 273.424 2.780 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccncc2)C1 ZINC000843423424 631952592 /nfs/dbraw/zinc/95/25/92/631952592.db2.gz DCASHEMVAOKDHX-OAHLLOKOSA-N 1 1 294.402 2.717 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2[nH]nc3ccccc32)C1 ZINC000843424363 631953416 /nfs/dbraw/zinc/95/34/16/631953416.db2.gz SRXQTUPKKFZXHH-ZDUSSCGKSA-N 1 1 253.349 2.798 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000843424363 631953420 /nfs/dbraw/zinc/95/34/20/631953420.db2.gz SRXQTUPKKFZXHH-ZDUSSCGKSA-N 1 1 253.349 2.798 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000843424363 631953424 /nfs/dbraw/zinc/95/34/24/631953424.db2.gz SRXQTUPKKFZXHH-ZDUSSCGKSA-N 1 1 253.349 2.798 20 30 CFEDMO C#CC1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000843427311 631955454 /nfs/dbraw/zinc/95/54/54/631955454.db2.gz ZOTUQWLDISAQLC-UHFFFAOYSA-N 1 1 253.267 2.949 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000843428323 631955728 /nfs/dbraw/zinc/95/57/28/631955728.db2.gz GORSNNIZJDZHGK-QGZVFWFLSA-N 1 1 255.361 2.669 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000813783788 631958204 /nfs/dbraw/zinc/95/82/04/631958204.db2.gz IIVZDRBENKPOQS-PMPSAXMXSA-N 1 1 290.451 2.757 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000813783788 631958207 /nfs/dbraw/zinc/95/82/07/631958207.db2.gz IIVZDRBENKPOQS-PMPSAXMXSA-N 1 1 290.451 2.757 20 30 CFEDMO C#C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C ZINC000813776455 631958749 /nfs/dbraw/zinc/95/87/49/631958749.db2.gz FMLVAFKGCQJACP-JKSUJKDBSA-N 1 1 290.451 2.948 20 30 CFEDMO C=CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C(C)C ZINC000843788386 632056100 /nfs/dbraw/zinc/05/61/00/632056100.db2.gz MAEWBEBSGOTRGH-ZDUSSCGKSA-N 1 1 263.385 2.820 20 30 CFEDMO C#CC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000844045502 632102162 /nfs/dbraw/zinc/10/21/62/632102162.db2.gz KIHCWYKGVVAOPE-MRXNPFEDSA-N 1 1 288.435 2.513 20 30 CFEDMO C[N@H+](C[C@@H](O)c1ccc(Cl)cc1)CC(C)(C)C#N ZINC000814669841 632105884 /nfs/dbraw/zinc/10/58/84/632105884.db2.gz WEWSLRMUOZNPSN-CYBMUJFWSA-N 1 1 266.772 2.855 20 30 CFEDMO C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1)CC(C)(C)C#N ZINC000814669841 632105888 /nfs/dbraw/zinc/10/58/88/632105888.db2.gz WEWSLRMUOZNPSN-CYBMUJFWSA-N 1 1 266.772 2.855 20 30 CFEDMO C[NH+]1CCN(N=Cc2ccc(C3CCC3)cc2)CC1 ZINC000814685035 632108095 /nfs/dbraw/zinc/10/80/95/632108095.db2.gz HIOUECKMRGWODH-UHFFFAOYSA-N 1 1 257.381 2.535 20 30 CFEDMO CC(=[NH+]NCc1ccccc1)c1cc(N)ccc1F ZINC000814751363 632118078 /nfs/dbraw/zinc/11/80/78/632118078.db2.gz JXSDCVKNTDKPQQ-UHFFFAOYSA-N 1 1 257.312 2.922 20 30 CFEDMO CCc1ccccc1N[NH+]=Cc1cnc(N(C)C)nc1 ZINC000814802096 632127204 /nfs/dbraw/zinc/12/72/04/632127204.db2.gz SELHXAPLONFKQA-UHFFFAOYSA-N 1 1 269.352 2.551 20 30 CFEDMO C[C@@H]1C(N=Nc2cccnn2)CCC[N@H+]1Cc1ccccc1 ZINC000814852915 632138629 /nfs/dbraw/zinc/13/86/29/632138629.db2.gz UOMLLOJKKCGSTL-CQSZACIVSA-N 1 1 295.390 2.929 20 30 CFEDMO COC[C@H](C)N=NC1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000814895614 632152435 /nfs/dbraw/zinc/15/24/35/632152435.db2.gz PCHMXUNMAGANRA-GJZGRUSLSA-N 1 1 289.423 2.651 20 30 CFEDMO c1cc2c3c(c1)C(=[NH+][N-]c1cc[nH+]cc1)CC[C@H]3CN2 ZINC000814900138 632154884 /nfs/dbraw/zinc/15/48/84/632154884.db2.gz FVXNSIMBOHQKKX-NSHDSACASA-N 1 1 264.332 2.623 20 30 CFEDMO C#CC[N@H+](Cc1cc2n(n1)CCC2)C1CCCCC1 ZINC000844282085 632155131 /nfs/dbraw/zinc/15/51/31/632155131.db2.gz SIGLSJAKMKVCEC-UHFFFAOYSA-N 1 1 257.381 2.597 20 30 CFEDMO C#CC[N@@H+](Cc1cc2n(n1)CCC2)C1CCCCC1 ZINC000844282085 632155137 /nfs/dbraw/zinc/15/51/37/632155137.db2.gz SIGLSJAKMKVCEC-UHFFFAOYSA-N 1 1 257.381 2.597 20 30 CFEDMO COc1ccc(N=NC2CCCc3ccc(N)cc32)nc1 ZINC000814909114 632159714 /nfs/dbraw/zinc/15/97/14/632159714.db2.gz HWJHCRHKBIFZST-UHFFFAOYSA-N 1 1 282.347 2.825 20 30 CFEDMO COc1ccccc1CO[NH+]=C(C)c1ccc(N)nc1 ZINC000814924067 632167084 /nfs/dbraw/zinc/16/70/84/632167084.db2.gz UPPYDKXVNYIXLM-UHFFFAOYSA-N 1 1 271.320 2.613 20 30 CFEDMO C#CC[N@@H+](C)CCCNc1cnc(-c2ccccc2)cn1 ZINC000814929369 632169002 /nfs/dbraw/zinc/16/90/02/632169002.db2.gz JDXLUCVZLOKAEV-UHFFFAOYSA-N 1 1 280.375 2.511 20 30 CFEDMO C#CC[N@H+](C)CCCNc1nc(CC)nc2sccc21 ZINC000814929011 632169372 /nfs/dbraw/zinc/16/93/72/632169372.db2.gz FPQBADRIJUTZMT-UHFFFAOYSA-N 1 1 288.420 2.621 20 30 CFEDMO C#CC[N@H+](C)CCCNc1ccnc2c(OC)cccc12 ZINC000814930360 632169707 /nfs/dbraw/zinc/16/97/07/632169707.db2.gz ZZTVPAJLABVGSZ-UHFFFAOYSA-N 1 1 283.375 2.610 20 30 CFEDMO CC(C)OCCO[NH+]=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814937078 632174548 /nfs/dbraw/zinc/17/45/48/632174548.db2.gz UIASBDVGYVUDKU-UHFFFAOYSA-N 1 1 292.379 2.976 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000844356420 632178965 /nfs/dbraw/zinc/17/89/65/632178965.db2.gz IDULMUHGGURQKK-XJKSGUPXSA-N 1 1 276.355 2.718 20 30 CFEDMO Cc1cnc([C@@H](C)[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)o1 ZINC000844368142 632181947 /nfs/dbraw/zinc/18/19/47/632181947.db2.gz WWJKATLQTSLGRL-IUODEOHRSA-N 1 1 285.347 2.581 20 30 CFEDMO Cc1cnc([C@@H](C)[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)o1 ZINC000844368142 632181949 /nfs/dbraw/zinc/18/19/49/632181949.db2.gz WWJKATLQTSLGRL-IUODEOHRSA-N 1 1 285.347 2.581 20 30 CFEDMO CCc1noc(C)c1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369652 632182211 /nfs/dbraw/zinc/18/22/11/632182211.db2.gz MYTMWYXZBNFDQS-KRWDZBQOSA-N 1 1 299.374 2.583 20 30 CFEDMO CC/C=C/CC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844367870 632182280 /nfs/dbraw/zinc/18/22/80/632182280.db2.gz CFQNKJIUKVZDTN-DWTRPJMMSA-N 1 1 258.365 2.880 20 30 CFEDMO CC(C)SCC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372131 632183507 /nfs/dbraw/zinc/18/35/07/632183507.db2.gz VDFANCHSJNZZCR-OAHLLOKOSA-N 1 1 278.421 2.665 20 30 CFEDMO C[N@H+](CC(=O)Nc1ccccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000815014984 632187506 /nfs/dbraw/zinc/18/75/06/632187506.db2.gz APSMNVHGEVVCHU-VXGBXAGGSA-N 1 1 291.782 2.903 20 30 CFEDMO C[N@@H+](CC(=O)Nc1ccccc1Cl)[C@@H]1CC[C@@H](C#N)C1 ZINC000815014984 632187510 /nfs/dbraw/zinc/18/75/10/632187510.db2.gz APSMNVHGEVVCHU-VXGBXAGGSA-N 1 1 291.782 2.903 20 30 CFEDMO C#CCNC(=O)CC[N@H+](C)Cc1ccc(Cl)cc1Cl ZINC000815010716 632187611 /nfs/dbraw/zinc/18/76/11/632187611.db2.gz OFWXEESYGBHPEM-UHFFFAOYSA-N 1 1 299.201 2.565 20 30 CFEDMO C#CCNC(=O)CC[N@@H+](C1CC1)C1CCC(CC)CC1 ZINC000815020313 632188368 /nfs/dbraw/zinc/18/83/68/632188368.db2.gz AXQUPDSLMFLCEN-UHFFFAOYSA-N 1 1 276.424 2.559 20 30 CFEDMO CC[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H](CC)CO1 ZINC000844386192 632189463 /nfs/dbraw/zinc/18/94/63/632189463.db2.gz HHUBUEDZSNPDCW-HOTGVXAUSA-N 1 1 288.391 2.978 20 30 CFEDMO C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)[N@@H+]1CCOCCC#N ZINC000815047940 632190425 /nfs/dbraw/zinc/19/04/25/632190425.db2.gz 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1 294.402 2.729 20 30 CFEDMO CCC(=[NH+]NC(=S)N[C@H](C)C1CC1)c1ccc(N)cc1 ZINC000863101189 637554485 /nfs/dbraw/zinc/55/44/85/637554485.db2.gz MHBPHQXTRURENE-SNVBAGLBSA-N 1 1 290.436 2.646 20 30 CFEDMO CC(C)c1nccnc1N=NC1CC[N@@H+](C)C(C)(C)C1 ZINC000863110476 637558936 /nfs/dbraw/zinc/55/89/36/637558936.db2.gz SRSKMIQWWATLPT-UHFFFAOYSA-N 1 1 275.400 2.872 20 30 CFEDMO CN(C)c1c(C=[NH+]NC[C@H]2CCSC2)ccc(F)c1F ZINC000863111879 637559326 /nfs/dbraw/zinc/55/93/26/637559326.db2.gz HUQLFPZLXHJTPW-SNVBAGLBSA-N 1 1 299.390 2.707 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC2=NNCC(C)(C)O)C1 ZINC000863137737 637567946 /nfs/dbraw/zinc/56/79/46/637567946.db2.gz JYMJFRJYXYKBSL-IJEWVQPXSA-N 1 1 295.471 2.623 20 30 CFEDMO CC(C)(C)OC(=O)C1CCC(=[NH+]n2cccn2)CC1 ZINC000863164641 637577661 /nfs/dbraw/zinc/57/76/61/637577661.db2.gz QZKOODOGVYOADH-UHFFFAOYSA-N 1 1 263.341 2.619 20 30 CFEDMO Fc1ccc(N=NC2C[N@H+]3C[C@@H]2CCC3)cc1Cl ZINC000863179029 637579922 /nfs/dbraw/zinc/57/99/22/637579922.db2.gz NWDSCUKIPHTGAI-VIFPVBQESA-N 1 1 267.735 2.973 20 30 CFEDMO C#CC[N@H+](CCOCC(F)F)[C@H]1CCc2ccccc21 ZINC000188875752 650349021 /nfs/dbraw/zinc/34/90/21/650349021.db2.gz WSYAYZVPKXVCLK-HNNXBMFYSA-N 1 1 279.330 2.891 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccc(Cl)s2)C1 ZINC001015962168 651218340 /nfs/dbraw/zinc/21/83/40/651218340.db2.gz FHIANKVABPHGQN-WDEREUQCSA-N 1 1 298.839 2.882 20 30 CFEDMO C[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccc(C#N)cc1 ZINC000865409040 638317544 /nfs/dbraw/zinc/31/75/44/638317544.db2.gz QVKBKZLLCUVECE-LBPRGKRZSA-N 1 1 266.348 2.940 20 30 CFEDMO C=CC[NH+]1CCC(NCc2cc(F)ccc2N(C)C)CC1 ZINC000865454160 638345585 /nfs/dbraw/zinc/34/55/85/638345585.db2.gz RVSBARVFKRANHW-UHFFFAOYSA-N 1 1 291.414 2.632 20 30 CFEDMO C=C(C)C[N@@H+](CC)CC1CCC2(CC1)OCCO2 ZINC000190179061 650418098 /nfs/dbraw/zinc/41/80/98/650418098.db2.gz FCOLHNHNQBMDOU-UHFFFAOYSA-N 1 1 253.386 2.818 20 30 CFEDMO C=C(C)C[NH+]1CCC(Nc2ccncc2C(F)(F)F)CC1 ZINC000865522448 638394194 /nfs/dbraw/zinc/39/41/94/638394194.db2.gz PWAYBEWGJKOVOS-UHFFFAOYSA-N 1 1 299.340 2.975 20 30 CFEDMO C=C(C)C[NH2+]Cc1nccc(C)c1Br ZINC000865558096 638421913 /nfs/dbraw/zinc/42/19/13/638421913.db2.gz OTZWIBIOUZQTJC-UHFFFAOYSA-N 1 1 255.159 2.818 20 30 CFEDMO Cc1ccnc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1Br ZINC000865609023 638456764 /nfs/dbraw/zinc/45/67/64/638456764.db2.gz FSZHXZSOMZQSAR-WDEREUQCSA-N 1 1 294.196 2.934 20 30 CFEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1c1cc(C(F)(F)F)cc(C#N)n1 ZINC000865654334 638491353 /nfs/dbraw/zinc/49/13/53/638491353.db2.gz NKPRZIKRNPWWHH-NXEZZACHSA-N 1 1 298.312 2.501 20 30 CFEDMO CCC[N@H+]1CC[C@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])C1 ZINC000865949645 638672656 /nfs/dbraw/zinc/67/26/56/638672656.db2.gz WVSDNOUZIBRTHU-NSHDSACASA-N 1 1 292.314 2.502 20 30 CFEDMO Cn1ncc(C#N)c1NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866191944 638766489 /nfs/dbraw/zinc/76/64/89/638766489.db2.gz AZCDEEXUYRTEPR-OAHLLOKOSA-N 1 1 287.411 2.501 20 30 CFEDMO Cc1cc(C#N)nc(NC[C@H]2CC[N@H+]2C2CCCCCC2)n1 ZINC000866192481 638766892 /nfs/dbraw/zinc/76/68/92/638766892.db2.gz KXGQLDYKTWOSBG-MRXNPFEDSA-N 1 1 299.422 2.866 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3nc4ccccc4cc3C#N)CC[C@@H]21 ZINC000866204641 638770032 /nfs/dbraw/zinc/77/00/32/638770032.db2.gz FKXVSLKYJSZCAW-YOEHRIQHSA-N 1 1 292.386 2.637 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000866207478 638770430 /nfs/dbraw/zinc/77/04/30/638770430.db2.gz WXWALMYEASEKKA-DOMZBBRYSA-N 1 1 275.783 2.742 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3nc(C(C)(C)C)ccc3C#N)CC[C@@H]21 ZINC000866208542 638770876 /nfs/dbraw/zinc/77/08/76/638770876.db2.gz NMFLGOREFSKDHU-GJZGRUSLSA-N 1 1 298.434 2.781 20 30 CFEDMO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866259494 638782458 /nfs/dbraw/zinc/78/24/58/638782458.db2.gz NEAMASDAFGWTPF-GHMZBOCLSA-N 1 1 284.363 2.718 20 30 CFEDMO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc(C#N)c2O)o1 ZINC000866271491 638785513 /nfs/dbraw/zinc/78/55/13/638785513.db2.gz MFGCEAUAMTWPTO-BXUZGUMPSA-N 1 1 286.331 2.550 20 30 CFEDMO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc(C#N)c2O)o1 ZINC000866271494 638785731 /nfs/dbraw/zinc/78/57/31/638785731.db2.gz MFGCEAUAMTWPTO-SMDDNHRTSA-N 1 1 286.331 2.550 20 30 CFEDMO CC(C)(CC#N)C[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866372350 638807735 /nfs/dbraw/zinc/80/77/35/638807735.db2.gz PPBDMTXLLYDWPJ-TZMCWYRMSA-N 1 1 262.328 2.988 20 30 CFEDMO N#Cc1cc(F)ccc1N1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000866589865 638850214 /nfs/dbraw/zinc/85/02/14/638850214.db2.gz MJUOKHFJMMILEF-CZUORRHYSA-N 1 1 298.365 2.512 20 30 CFEDMO N#CCCCC[N@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000121867488 638900451 /nfs/dbraw/zinc/90/04/51/638900451.db2.gz UGBAREPTZTVMHO-UONOGXRCSA-N 1 1 294.420 2.566 20 30 CFEDMO N#CCCCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1cccs1 ZINC000121867488 638900452 /nfs/dbraw/zinc/90/04/52/638900452.db2.gz UGBAREPTZTVMHO-UONOGXRCSA-N 1 1 294.420 2.566 20 30 CFEDMO C=CCCC(C)(C)CNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868859124 638986521 /nfs/dbraw/zinc/98/65/21/638986521.db2.gz BJGNFCVIKVTPCY-CABCVRRESA-N 1 1 293.455 2.714 20 30 CFEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000078047629 650472359 /nfs/dbraw/zinc/47/23/59/650472359.db2.gz BNTFIZFUAHFHCT-UONOGXRCSA-N 1 1 295.427 2.725 20 30 CFEDMO Cc1cc(C)c(COC(=O)c2cc(C#N)cn2C)c(C)[nH+]1 ZINC000869430868 639226813 /nfs/dbraw/zinc/22/68/13/639226813.db2.gz MWVDIMGVHCKHIY-UHFFFAOYSA-N 1 1 283.331 2.574 20 30 CFEDMO C#CCCCC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191164090 650481771 /nfs/dbraw/zinc/48/17/71/650481771.db2.gz HWKXPKPKZWZBDI-MRXNPFEDSA-N 1 1 271.360 2.608 20 30 CFEDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)c1coc(C#N)c1 ZINC000870007528 639497395 /nfs/dbraw/zinc/49/73/95/639497395.db2.gz RSRDAQRKRGWQKC-CYBMUJFWSA-N 1 1 276.336 2.571 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1sccc1CC#N ZINC000870045078 639509279 /nfs/dbraw/zinc/50/92/79/639509279.db2.gz ZGEFXJWXYADBOC-ZDUSSCGKSA-N 1 1 292.404 2.845 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cscc1Cl ZINC000870194295 639541066 /nfs/dbraw/zinc/54/10/66/639541066.db2.gz GZDZVXXFIGNSTE-SNVBAGLBSA-N 1 1 283.780 2.656 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cscc1Cl ZINC000870194295 639541070 /nfs/dbraw/zinc/54/10/70/639541070.db2.gz GZDZVXXFIGNSTE-SNVBAGLBSA-N 1 1 283.780 2.656 20 30 CFEDMO C=CCC1(COC(=O)Cn2c[nH+]cc2C)CCCC1 ZINC000870573013 639729697 /nfs/dbraw/zinc/72/96/97/639729697.db2.gz CINJRSHWPLDJOX-UHFFFAOYSA-N 1 1 262.353 2.871 20 30 CFEDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000191957872 650531707 /nfs/dbraw/zinc/53/17/07/650531707.db2.gz YVYQOESBVNEEQJ-WMLDXEAASA-N 1 1 288.391 2.714 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]C[C@H](CC)N1CCCC1 ZINC000078909488 650544247 /nfs/dbraw/zinc/54/42/47/650544247.db2.gz IBGIRFXXDDNFDY-KRWDZBQOSA-N 1 1 286.419 2.663 20 30 CFEDMO C=C(Br)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000192181834 650546073 /nfs/dbraw/zinc/54/60/73/650546073.db2.gz UPQHLJZZMMZWMZ-VIFPVBQESA-N 1 1 250.205 2.722 20 30 CFEDMO C=C(Br)C[N@H+]1CCS[C@@H](C)CC1 ZINC000192181834 650546077 /nfs/dbraw/zinc/54/60/77/650546077.db2.gz UPQHLJZZMMZWMZ-VIFPVBQESA-N 1 1 250.205 2.722 20 30 CFEDMO CCCCC(N)=[NH+]OCc1noc2c1CCCC2 ZINC000123395060 641114963 /nfs/dbraw/zinc/11/49/63/641114963.db2.gz OPUHFARRXNLTJR-UHFFFAOYSA-N 1 1 251.330 2.532 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(C)nc2)no1 ZINC000872173114 641692406 /nfs/dbraw/zinc/69/24/06/641692406.db2.gz KSLWHKQUJXQBOS-JTQLQIEISA-N 1 1 264.716 2.582 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2csc(CC)n2)no1 ZINC000872176955 641694578 /nfs/dbraw/zinc/69/45/78/641694578.db2.gz WXGLQTZZBKTQGL-SECBINFHSA-N 1 1 298.799 2.822 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cccc(C)n2)no1 ZINC000872175653 641694862 /nfs/dbraw/zinc/69/48/62/641694862.db2.gz KLXCDFYQUFVPLP-SECBINFHSA-N 1 1 264.716 2.582 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ncc(C)s2)no1 ZINC000872184158 641696985 /nfs/dbraw/zinc/69/69/85/641696985.db2.gz RXQXQWDZTMJSTA-SSDOTTSWSA-N 1 1 270.745 2.644 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CCC2CCOCC2)no1 ZINC000872182893 641697306 /nfs/dbraw/zinc/69/73/06/641697306.db2.gz UODLEWRTYLHMBG-NSHDSACASA-N 1 1 285.775 2.571 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872318637 641755011 /nfs/dbraw/zinc/75/50/11/641755011.db2.gz LIFBMWRZYDSTRR-AWEZNQCLSA-N 1 1 292.386 2.966 20 30 CFEDMO c1ccc(N=NC2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000872324040 641756439 /nfs/dbraw/zinc/75/64/39/641756439.db2.gz IZOGQPLGXRPXTK-AWEZNQCLSA-N 1 1 261.394 2.666 20 30 CFEDMO c1ccc(N=NC2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000872324040 641756447 /nfs/dbraw/zinc/75/64/47/641756447.db2.gz IZOGQPLGXRPXTK-AWEZNQCLSA-N 1 1 261.394 2.666 20 30 CFEDMO Fc1ccc(N=NC2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000872326781 641757121 /nfs/dbraw/zinc/75/71/21/641757121.db2.gz XOHPLBXSVAQZAB-CQSZACIVSA-N 1 1 279.384 2.805 20 30 CFEDMO Fc1ccc(N=NC2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000872326781 641757125 /nfs/dbraw/zinc/75/71/25/641757125.db2.gz XOHPLBXSVAQZAB-CQSZACIVSA-N 1 1 279.384 2.805 20 30 CFEDMO Clc1cccnc1N=NC1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872344717 641761411 /nfs/dbraw/zinc/76/14/11/641761411.db2.gz WGVPWKFHBFVMCP-LBPRGKRZSA-N 1 1 296.827 2.714 20 30 CFEDMO Clc1cccnc1N=NC1CCC[N@H+]2CCSC[C@@H]12 ZINC000872344717 641761415 /nfs/dbraw/zinc/76/14/15/641761415.db2.gz WGVPWKFHBFVMCP-LBPRGKRZSA-N 1 1 296.827 2.714 20 30 CFEDMO C1CCC(ON=C2CCC[N@H+]3CCSC[C@H]23)CC1 ZINC000872366075 641772199 /nfs/dbraw/zinc/77/21/99/641772199.db2.gz PELXNODQQOYYIT-CQSZACIVSA-N 1 1 268.426 2.903 20 30 CFEDMO Cc1ccnc(N)c1C=[NH+]N[C@H]1CCc2c1cccc2F ZINC000872381393 641784011 /nfs/dbraw/zinc/78/40/11/641784011.db2.gz NVYFOBCBMFGJFT-HNNXBMFYSA-N 1 1 284.338 2.722 20 30 CFEDMO CSc1nnc(SC)n1[NH+]=C[C@@H]1CCCSC1 ZINC000872417455 641802410 /nfs/dbraw/zinc/80/24/10/641802410.db2.gz CGEZICSUFVBADF-QMMMGPOBSA-N 1 1 288.467 2.699 20 30 CFEDMO C=CC[N@H+](CN1C[C@](C)(c2ccccc2F)C1=O)C(C)C ZINC000872565353 641857780 /nfs/dbraw/zinc/85/77/80/641857780.db2.gz BAQSIFKHFVUSKY-QGZVFWFLSA-N 1 1 290.382 2.780 20 30 CFEDMO C=CC[N@@H+](CN1C[C@](C)(c2ccccc2F)C1=O)C(C)C ZINC000872565353 641857784 /nfs/dbraw/zinc/85/77/84/641857784.db2.gz BAQSIFKHFVUSKY-QGZVFWFLSA-N 1 1 290.382 2.780 20 30 CFEDMO CCC[C@@H]1CC(=O)N(C[N@H+](C)CCc2cccc(C#N)c2)C1 ZINC000872705133 641906025 /nfs/dbraw/zinc/90/60/25/641906025.db2.gz JYKHSOGSQAYLHV-QGZVFWFLSA-N 1 1 299.418 2.639 20 30 CFEDMO CCC[C@@H]1CC(=O)N(C[N@@H+](C)CCc2cccc(C#N)c2)C1 ZINC000872705133 641906027 /nfs/dbraw/zinc/90/60/27/641906027.db2.gz JYKHSOGSQAYLHV-QGZVFWFLSA-N 1 1 299.418 2.639 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000873114662 642016235 /nfs/dbraw/zinc/01/62/35/642016235.db2.gz OQYOUZKEGJLMSR-GJZGRUSLSA-N 1 1 293.455 2.714 20 30 CFEDMO N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@H](N)c3ccccc31)C2 ZINC000873274945 642115300 /nfs/dbraw/zinc/11/53/00/642115300.db2.gz HXWYETFUOLPIIZ-MNEFBYGVSA-N 1 1 289.382 2.760 20 30 CFEDMO N#Cc1ccc2c(c1)C[C@H](N[C@H]1C[C@H]([NH3+])c3ccccc31)C2 ZINC000873274945 642115302 /nfs/dbraw/zinc/11/53/02/642115302.db2.gz HXWYETFUOLPIIZ-MNEFBYGVSA-N 1 1 289.382 2.760 20 30 CFEDMO C#CCN(CC[C@H]1CCC[N@@H+]1C)Cc1ccc(F)cc1 ZINC000125037658 642400287 /nfs/dbraw/zinc/40/02/87/642400287.db2.gz ZLPKXBPTGQZZCG-QGZVFWFLSA-N 1 1 274.383 2.745 20 30 CFEDMO C=C(Br)C[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000125067157 642417742 /nfs/dbraw/zinc/41/77/42/642417742.db2.gz CCQMAOPIEBPHJT-QMMMGPOBSA-N 1 1 270.174 2.653 20 30 CFEDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CC1(C#N)CCCCC1 ZINC000874826223 642510752 /nfs/dbraw/zinc/51/07/52/642510752.db2.gz ULJLKKWBCBJXQN-CABCVRRESA-N 1 1 289.423 2.546 20 30 CFEDMO C=C(Br)CN(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000125768544 642779255 /nfs/dbraw/zinc/77/92/55/642779255.db2.gz BLZSYFDMIUYZIY-PWSUYJOCSA-N 1 1 275.234 2.557 20 30 CFEDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(C#N)n2)cc1 ZINC000876511414 642900204 /nfs/dbraw/zinc/90/02/04/642900204.db2.gz HVGPMNNGOQGIOT-UHFFFAOYSA-N 1 1 280.375 2.651 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 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/nfs/dbraw/zinc/54/74/19/644547419.db2.gz ZCAFIQKCLKGHTE-DLBZAZTESA-N 1 1 269.392 2.535 20 30 CFEDMO Cc1cc(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C)ccc1C#N ZINC000880137169 644547423 /nfs/dbraw/zinc/54/74/23/644547423.db2.gz ZCAFIQKCLKGHTE-DLBZAZTESA-N 1 1 269.392 2.535 20 30 CFEDMO C=CCCC[N@@H+]1C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C1 ZINC000880154124 644557346 /nfs/dbraw/zinc/55/73/46/644557346.db2.gz DNGMNTQOOSSETM-GHMZBOCLSA-N 1 1 279.302 2.626 20 30 CFEDMO COCC1([N@@H+](C)Cc2ccc(CC#N)cc2)CCC1 ZINC000880185697 644569232 /nfs/dbraw/zinc/56/92/32/644569232.db2.gz ZCVOXPOVNCOAPQ-UHFFFAOYSA-N 1 1 258.365 2.754 20 30 CFEDMO N#Cc1c(C[N@@H+]2CCC[C@@H](CF)C2)cn2ccccc12 ZINC000880236238 644597936 /nfs/dbraw/zinc/59/79/36/644597936.db2.gz YHEGHMXGVVYCIM-ZDUSSCGKSA-N 1 1 271.339 2.992 20 30 CFEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CCC[C@H](CF)C1 ZINC000880236408 644599477 /nfs/dbraw/zinc/59/94/77/644599477.db2.gz YQYZYFFFKSQSCK-QWHCGFSZSA-N 1 1 289.354 2.567 20 30 CFEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@H](CF)C1 ZINC000880236408 644599480 /nfs/dbraw/zinc/59/94/80/644599480.db2.gz YQYZYFFFKSQSCK-QWHCGFSZSA-N 1 1 289.354 2.567 20 30 CFEDMO Cn1cc(C[N@H+]2CC[C@H](CF)C2)c(-c2ccc(C#N)cc2)n1 ZINC000880298696 644637798 /nfs/dbraw/zinc/63/77/98/644637798.db2.gz IEISQYBNTAQEQM-CQSZACIVSA-N 1 1 298.365 2.750 20 30 CFEDMO FC[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000880297549 644638593 /nfs/dbraw/zinc/63/85/93/644638593.db2.gz PLDOSWYRXLVNBB-CYBMUJFWSA-N 1 1 251.732 2.983 20 30 CFEDMO CC(=O)[C@@](C#N)(CC[N@H+]1CC[C@@H](CF)C1)c1ccccc1 ZINC000880300707 644640891 /nfs/dbraw/zinc/64/08/91/644640891.db2.gz HPXYZWGENHKCLO-RDJZCZTQSA-N 1 1 288.366 2.718 20 30 CFEDMO C#CCC1(O)CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000880484499 644732519 /nfs/dbraw/zinc/73/25/19/644732519.db2.gz XNCNFLHBUYIHQT-UHFFFAOYSA-N 1 1 281.758 2.829 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880551165 644762472 /nfs/dbraw/zinc/76/24/72/644762472.db2.gz HQDYUUDIXQDTIX-SJORKVTESA-N 1 1 286.419 2.798 20 30 CFEDMO C=CCOCC[N@@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880554506 644765637 /nfs/dbraw/zinc/76/56/37/644765637.db2.gz CZFFFGJQWZGHEM-INIZCTEOSA-N 1 1 272.392 2.674 20 30 CFEDMO C=CC[C@H](C(=O)OC)[N@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880577629 644774553 /nfs/dbraw/zinc/77/45/53/644774553.db2.gz MWUYORMLVWXCPU-JKSUJKDBSA-N 1 1 295.423 2.633 20 30 CFEDMO C=CC(C)(C)CC(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1 ZINC000880673114 644802274 /nfs/dbraw/zinc/80/22/74/644802274.db2.gz LLYNJNJWMKNBCW-CYBMUJFWSA-N 1 1 252.402 2.531 20 30 CFEDMO CC[C@]1(C)C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000249137980 650955703 /nfs/dbraw/zinc/95/57/03/650955703.db2.gz XFXPNKWUQJLGNT-RHSMWYFYSA-N 1 1 288.391 2.978 20 30 CFEDMO CC[C@]1(C)C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000249137980 650955706 /nfs/dbraw/zinc/95/57/06/650955706.db2.gz XFXPNKWUQJLGNT-RHSMWYFYSA-N 1 1 288.391 2.978 20 30 CFEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1occc1C ZINC001017356869 650961709 /nfs/dbraw/zinc/96/17/09/650961709.db2.gz WVVJMMDXYAORIV-GASCZTMLSA-N 1 1 288.391 2.843 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001085858837 782189080 /nfs/dbraw/zinc/18/90/80/782189080.db2.gz JYHCJWDMJZZCSE-ZACQAIPSSA-N 1 1 284.403 2.509 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001085858837 782189072 /nfs/dbraw/zinc/18/90/72/782189072.db2.gz JYHCJWDMJZZCSE-ZACQAIPSSA-N 1 1 284.403 2.509 20 30 CFEDMO C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000881119873 644909334 /nfs/dbraw/zinc/90/93/34/644909334.db2.gz NOMXMEAGIKEPEG-HNNXBMFYSA-N 1 1 298.390 2.651 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]2C(C)(C)O)cc1 ZINC000249768779 650968845 /nfs/dbraw/zinc/96/88/45/650968845.db2.gz BJFMYSLFQRJJHJ-BBRMVZONSA-N 1 1 288.391 2.713 20 30 CFEDMO Cc1ccc(N2CC[NH+](Cc3cccs3)CC2)c(C#N)n1 ZINC000881772745 645125216 /nfs/dbraw/zinc/12/52/16/645125216.db2.gz VZBKKAWZGQXDHK-UHFFFAOYSA-N 1 1 298.415 2.645 20 30 CFEDMO C=CC[C@@H](SCC[N@@H+](C)Cc1ccccc1)C(=O)OC ZINC000882160639 645224717 /nfs/dbraw/zinc/22/47/17/645224717.db2.gz SVYIBPFXVKPKJE-OAHLLOKOSA-N 1 1 293.432 2.969 20 30 CFEDMO C[C@@H]1[C@H](C(=O)Nc2ccc(C3CC3)c(C#N)c2)CC[N@H+]1C ZINC000882309699 645276559 /nfs/dbraw/zinc/27/65/59/645276559.db2.gz JSQTZFHBBQDFKI-IAQYHMDHSA-N 1 1 283.375 2.714 20 30 CFEDMO CC(C)[N@@H+](C)CC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC000882313978 645279461 /nfs/dbraw/zinc/27/94/61/645279461.db2.gz JGGCTCCGFAYKPP-UHFFFAOYSA-N 1 1 271.364 2.714 20 30 CFEDMO CC[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000252442736 651004467 /nfs/dbraw/zinc/00/44/67/651004467.db2.gz BCHAWXCHDLSQKL-GDBMZVCRSA-N 1 1 288.391 2.826 20 30 CFEDMO C[C@@H]1CCCN(C(=[NH2+])NC[C@@H](C2CCCCC2)N(C)C)C1 ZINC000303877495 651005211 /nfs/dbraw/zinc/00/52/11/651005211.db2.gz FIIVBTRJRJLRNW-ZBFHGGJFSA-N 1 1 294.487 2.544 20 30 CFEDMO C[C@@H]1CCCN(C(=[NH2+])NC[C@H](C2CCCCC2)N(C)C)C1 ZINC000303877492 651005288 /nfs/dbraw/zinc/00/52/88/651005288.db2.gz FIIVBTRJRJLRNW-GDBMZVCRSA-N 1 1 294.487 2.544 20 30 CFEDMO CCc1cccc(CC)c1NC(=[NH2+])NCC(C)(C)N(C)C ZINC000303768568 651001101 /nfs/dbraw/zinc/00/11/01/651001101.db2.gz AKMLXQWUAIJVDC-UHFFFAOYSA-N 1 1 290.455 2.878 20 30 CFEDMO CCc1ccc(NC(=[NH2+])NCCN(C)[C@H](C)CC)cc1 ZINC000303988931 651011198 /nfs/dbraw/zinc/01/11/98/651011198.db2.gz WZIQTOHGFJYJDA-CYBMUJFWSA-N 1 1 276.428 2.706 20 30 CFEDMO C#CCC1(O)CCN(c2[nH+]ccc3ccc(C)cc32)CC1 ZINC000882968464 645534035 /nfs/dbraw/zinc/53/40/35/645534035.db2.gz PBCZIJCJADMJBG-UHFFFAOYSA-N 1 1 280.371 2.898 20 30 CFEDMO C#CC[C@@H](CO)[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000883123814 645613116 /nfs/dbraw/zinc/61/31/16/645613116.db2.gz LWQMIBYDOZEQQT-AWEZNQCLSA-N 1 1 286.400 2.592 20 30 CFEDMO C#CC[N@@H+](C)CCCNCc1csc(-c2ccccc2)n1 ZINC000883131560 645618035 /nfs/dbraw/zinc/61/80/35/645618035.db2.gz HUZNAWLKIYAPFB-UHFFFAOYSA-N 1 1 299.443 2.855 20 30 CFEDMO CCN(CC)CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304706663 651030209 /nfs/dbraw/zinc/03/02/09/651030209.db2.gz XDLJILKKSOOARX-UHFFFAOYSA-N 1 1 288.439 2.634 20 30 CFEDMO C=CCC[C@@H]([NH2+]Cc1nn(C)cc1Cl)[C@@H]1CCCO1 ZINC000883226380 645676217 /nfs/dbraw/zinc/67/62/17/645676217.db2.gz XCEXDJOKRZPMLT-OCCSQVGLSA-N 1 1 283.803 2.677 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1ccccc1CC(=O)OC ZINC000131309991 645695353 /nfs/dbraw/zinc/69/53/53/645695353.db2.gz JPGGBTWUTZAHFU-UHFFFAOYSA-N 1 1 261.365 2.800 20 30 CFEDMO C=C(Br)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253086754 651036091 /nfs/dbraw/zinc/03/60/91/651036091.db2.gz CFWHVHDWVILTBG-JHJVBQTASA-N 1 1 288.229 2.911 20 30 CFEDMO C=C[C@H](C)NC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000883508137 645864735 /nfs/dbraw/zinc/86/47/35/645864735.db2.gz QCTRRGDTYUQWDO-GJZGRUSLSA-N 1 1 287.407 2.649 20 30 CFEDMO C=C(C)CNC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000883586589 645900368 /nfs/dbraw/zinc/90/03/68/645900368.db2.gz OFTNVWCHUKWHPV-OAHLLOKOSA-N 1 1 287.407 2.651 20 30 CFEDMO C[C@H]1CCC(C)(C)CC1=NNCCC[NH+]1CCOCC1 ZINC000884462104 646370761 /nfs/dbraw/zinc/37/07/61/646370761.db2.gz VNYDZWMKWCBIKR-AWEZNQCLSA-N 1 1 281.444 2.501 20 30 CFEDMO C#CCON=C1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2 ZINC000884470931 646375608 /nfs/dbraw/zinc/37/56/08/646375608.db2.gz GJPCWXYBSFMLRF-RDJZCZTQSA-N 1 1 268.360 2.677 20 30 CFEDMO C#CC[C@@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000884594621 646476692 /nfs/dbraw/zinc/47/66/92/646476692.db2.gz NRQRHDCONBGWAK-SNVBAGLBSA-N 1 1 265.154 2.694 20 30 CFEDMO CC[N@H+](Cc1ccccc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885930641 646772016 /nfs/dbraw/zinc/77/20/16/646772016.db2.gz CZBAVKTXBMQASS-INIZCTEOSA-N 1 1 272.392 2.953 20 30 CFEDMO C[N@@H+](CCCc1ccccc1)C[C@H](O)CC1(C#N)CCC1 ZINC000885953745 646781746 /nfs/dbraw/zinc/78/17/46/646781746.db2.gz FCUCVVHQMFGSIO-QGZVFWFLSA-N 1 1 286.419 2.996 20 30 CFEDMO CC(C)[N@H+](Cc1ccccn1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885960999 646784821 /nfs/dbraw/zinc/78/48/21/646784821.db2.gz SGVGSMCLNOPWDL-INIZCTEOSA-N 1 1 287.407 2.737 20 30 CFEDMO CCc1nc(C[N@H+](C)C[C@@H](O)CC2(C#N)CCC2)cs1 ZINC000885964895 646786619 /nfs/dbraw/zinc/78/66/19/646786619.db2.gz GOIVVZLCYZUCLN-ZDUSSCGKSA-N 1 1 293.436 2.582 20 30 CFEDMO CCc1nc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)cs1 ZINC000885964895 646786621 /nfs/dbraw/zinc/78/66/21/646786621.db2.gz GOIVVZLCYZUCLN-ZDUSSCGKSA-N 1 1 293.436 2.582 20 30 CFEDMO CCC(CC)[N@@H+](CCOC)C[C@H](O)CC1(C#N)CCC1 ZINC000885983407 646795588 /nfs/dbraw/zinc/79/55/88/646795588.db2.gz FQKJJMAGSYVOMT-OAHLLOKOSA-N 1 1 282.428 2.568 20 30 CFEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)C1(C)C ZINC000886018511 646820847 /nfs/dbraw/zinc/82/08/47/646820847.db2.gz BMSLDPFNMKPCFY-RRFJBIMHSA-N 1 1 294.439 2.567 20 30 CFEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886064258 646850795 /nfs/dbraw/zinc/85/07/95/646850795.db2.gz BZQBTCOGXQKHHM-CZUORRHYSA-N 1 1 288.391 2.830 20 30 CFEDMO CCSCC[C@H](C)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886072357 646854779 /nfs/dbraw/zinc/85/47/79/646854779.db2.gz FCFWGFPFDHXMRC-KBPBESRZSA-N 1 1 284.469 2.895 20 30 CFEDMO C[N@H+](Cc1nc2ccccc2o1)C[C@H](O)CC1(C#N)CCC1 ZINC000886075730 646856060 /nfs/dbraw/zinc/85/60/60/646856060.db2.gz GUNCJNVACZOUMF-CYBMUJFWSA-N 1 1 299.374 2.704 20 30 CFEDMO C[C@H](C#N)C[N@H+](C[C@@H]1CCC2(CCC2)CO1)C1CC1 ZINC000886083385 646858279 /nfs/dbraw/zinc/85/82/79/646858279.db2.gz IVMNMENRKCMOOX-HIFRSBDPSA-N 1 1 262.397 2.960 20 30 CFEDMO C[C@H](C#N)C[N@@H+](C[C@@H]1CCC2(CCC2)CO1)C1CC1 ZINC000886083385 646858283 /nfs/dbraw/zinc/85/82/83/646858283.db2.gz IVMNMENRKCMOOX-HIFRSBDPSA-N 1 1 262.397 2.960 20 30 CFEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2c2cccnc2)CCC1 ZINC000886089949 646862132 /nfs/dbraw/zinc/86/21/32/646862132.db2.gz NHPDUMGQGBRYOK-HZPDHXFCSA-N 1 1 285.391 2.663 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1 ZINC000136845512 646869598 /nfs/dbraw/zinc/86/95/98/646869598.db2.gz RHXLNTDXEHCHPJ-NVXWUHKLSA-N 1 1 287.403 2.682 20 30 CFEDMO N#CC1(C[C@@H](O)C[N@@H+](CC2CC2)CC2CCC2)CCC1 ZINC000886184028 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COc1cc(C#N)ccc1C[N@H+]1CC[C@](C)(CF)C1 ZINC001231617388 777280606 /nfs/dbraw/zinc/28/06/06/777280606.db2.gz VTNQLGNNDXHXJU-OAHLLOKOSA-N 1 1 262.328 2.748 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[C@](C)(O)CC1 ZINC001231616705 777280650 /nfs/dbraw/zinc/28/06/50/777280650.db2.gz LFABQWSOOGVTFT-SUMWQHHRSA-N 1 1 288.391 2.550 20 30 CFEDMO CCCC[N@H+](CCC#N)Cc1cc(OC)c(O)cc1O ZINC001231637024 777286953 /nfs/dbraw/zinc/28/69/53/777286953.db2.gz YHZKOYMVYCDUCF-UHFFFAOYSA-N 1 1 278.352 2.622 20 30 CFEDMO CCCC[N@@H+](CCC#N)Cc1cc(OC)c(O)cc1O ZINC001231637024 777286956 /nfs/dbraw/zinc/28/69/56/777286956.db2.gz YHZKOYMVYCDUCF-UHFFFAOYSA-N 1 1 278.352 2.622 20 30 CFEDMO C#Cc1cccc(C[N@@H+](CCO)Cc2ccccc2)c1 ZINC001231655944 777293632 /nfs/dbraw/zinc/29/36/32/777293632.db2.gz HBRYZMQHKBJVPH-UHFFFAOYSA-N 1 1 265.356 2.662 20 30 CFEDMO C#Cc1cccc(C[N@@H+]2CCc3nc(C)sc3C2)c1 ZINC001231659379 777298573 /nfs/dbraw/zinc/29/85/73/777298573.db2.gz KJUMAVUXRUTEOM-UHFFFAOYSA-N 1 1 268.385 2.991 20 30 CFEDMO C#Cc1cccc(C[N@H+]2CCc3nc(C)sc3C2)c1 ZINC001231659379 777298579 /nfs/dbraw/zinc/29/85/79/777298579.db2.gz KJUMAVUXRUTEOM-UHFFFAOYSA-N 1 1 268.385 2.991 20 30 CFEDMO C#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ncccn2)c1 ZINC001231662096 777298607 /nfs/dbraw/zinc/29/86/07/777298607.db2.gz ACLKREXURWCSGJ-INIZCTEOSA-N 1 1 263.344 2.795 20 30 CFEDMO C#Cc1cccc(C[N@H+]2CCC[C@H]2c2ncccn2)c1 ZINC001231662096 777298613 /nfs/dbraw/zinc/29/86/13/777298613.db2.gz ACLKREXURWCSGJ-INIZCTEOSA-N 1 1 263.344 2.795 20 30 CFEDMO C#Cc1cccc(C[N@@H+](C)[C@H](C(=O)OC)[C@@H](C)CC)c1 ZINC001231661135 777298735 /nfs/dbraw/zinc/29/87/35/777298735.db2.gz OLLGJYBJRWSTBF-BBRMVZONSA-N 1 1 273.376 2.687 20 30 CFEDMO C#Cc1cccc(C[N@H+](C)[C@H](C(=O)OC)[C@@H](C)CC)c1 ZINC001231661135 777298740 /nfs/dbraw/zinc/29/87/40/777298740.db2.gz OLLGJYBJRWSTBF-BBRMVZONSA-N 1 1 273.376 2.687 20 30 CFEDMO C#Cc1cccc(CN2CC[N@H+](C)CC23CCCC3)c1 ZINC001231663444 777299582 /nfs/dbraw/zinc/29/95/82/777299582.db2.gz MAAWXTNBOCRNKC-UHFFFAOYSA-N 1 1 268.404 2.728 20 30 CFEDMO C#Cc1cccc(C[N@H+]2CCN(C)CC23CCCC3)c1 ZINC001231663444 777299589 /nfs/dbraw/zinc/29/95/89/777299589.db2.gz MAAWXTNBOCRNKC-UHFFFAOYSA-N 1 1 268.404 2.728 20 30 CFEDMO C#Cc1cccc(C[N@@H+]2CCN(C)CC23CCCC3)c1 ZINC001231663444 777299595 /nfs/dbraw/zinc/29/95/95/777299595.db2.gz MAAWXTNBOCRNKC-UHFFFAOYSA-N 1 1 268.404 2.728 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2c[nH]cc2C2CC2)C1 ZINC001028900149 777310766 /nfs/dbraw/zinc/31/07/66/777310766.db2.gz VWFKBJHOEIRNFF-ZDUSSCGKSA-N 1 1 287.407 2.520 20 30 CFEDMO CCCCCCCC[N@@H+](C)Cc1c[nH]c(=O)[nH]c1=O ZINC001231702012 777311406 /nfs/dbraw/zinc/31/14/06/777311406.db2.gz WQMBOVAWKUNKBH-UHFFFAOYSA-N 1 1 267.373 2.680 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2ccoc2CCC)C1 ZINC001028928873 777326370 /nfs/dbraw/zinc/32/63/70/777326370.db2.gz RQLHHHZRPWWEIF-CQSZACIVSA-N 1 1 290.407 2.860 20 30 CFEDMO CC(C)Oc1ncccc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001231758714 777327411 /nfs/dbraw/zinc/32/74/11/777327411.db2.gz DAZWZJNFHWQRAB-CQSZACIVSA-N 1 1 273.380 2.994 20 30 CFEDMO CC(C)Oc1ncccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001231758714 777327417 /nfs/dbraw/zinc/32/74/17/777327417.db2.gz DAZWZJNFHWQRAB-CQSZACIVSA-N 1 1 273.380 2.994 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001028941081 777331869 /nfs/dbraw/zinc/33/18/69/777331869.db2.gz GBXBNWAMSCLWIU-BZUAXINKSA-N 1 1 278.440 2.827 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C(F)F)o2)C1 ZINC001028958170 777342492 /nfs/dbraw/zinc/34/24/92/777342492.db2.gz GFMLEWBPDIKHBI-NSHDSACASA-N 1 1 298.333 2.845 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H](CNC(=O)c2ccc(C3CC3)cn2)C1 ZINC001028962031 777346828 /nfs/dbraw/zinc/34/68/28/777346828.db2.gz MCMNQBUSEDAHMN-AWEZNQCLSA-N 1 1 299.418 2.587 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(C)c2C)C1 ZINC001028965170 777347389 /nfs/dbraw/zinc/34/73/89/777347389.db2.gz BIJKWAXGOGMSTD-MRXNPFEDSA-N 1 1 286.419 2.931 20 30 CFEDMO CC#CC[N@H+]1CC[C@@H](CNC(=O)c2c(C)cc(C)cc2C)C1 ZINC001028973300 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C=CC[N@@H+]1CC[C@@H](CNC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001029012675 777380148 /nfs/dbraw/zinc/38/01/48/777380148.db2.gz PKPXMRMHYMRHBY-NFOMZHRRSA-N 1 1 278.440 2.683 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2c(C)cccc2F)C1 ZINC001029018188 777386224 /nfs/dbraw/zinc/38/62/24/777386224.db2.gz NKWULWHAQXCQSB-AWEZNQCLSA-N 1 1 290.382 2.762 20 30 CFEDMO C=CC[N@H+](Cc1cnc(OC)cn1)C1CCCCC1 ZINC001231941282 777390162 /nfs/dbraw/zinc/39/01/62/777390162.db2.gz QBZCXPJPPYCKDE-UHFFFAOYSA-N 1 1 261.369 2.806 20 30 CFEDMO FC(F)(F)c1cccnc1C[NH+]1CCC(S)CC1 ZINC001231964469 777392396 /nfs/dbraw/zinc/39/23/96/777392396.db2.gz VYUSGANEPMSKSS-UHFFFAOYSA-N 1 1 276.327 2.995 20 30 CFEDMO CCCC[C@H](CC)C[N@@H+]1C[C@H]2C[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001270501576 777394370 /nfs/dbraw/zinc/39/43/70/777394370.db2.gz NCZAJRAIPNKYEG-QXSJWSMHSA-N 1 1 291.439 2.648 20 30 CFEDMO N#Cc1ccc2c(c1)C[N@H+](Cc1cccc3c[nH]nc31)CC2 ZINC001231970614 777396824 /nfs/dbraw/zinc/39/68/24/777396824.db2.gz VPGTVEHHUUHHCE-UHFFFAOYSA-N 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C=C(C)CC[NH+]1CC(NC(=O)c2nccc3ccccc32)C1 ZINC001030864327 779067196 /nfs/dbraw/zinc/06/71/96/779067196.db2.gz WXOWYPNLSDBZMT-UHFFFAOYSA-N 1 1 295.386 2.615 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccncc2C(F)(F)F)C1 ZINC001237291811 779070290 /nfs/dbraw/zinc/07/02/90/779070290.db2.gz GELPLLXNLGVBKA-LLVKDONJSA-N 1 1 268.282 2.946 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2ccncc2C(F)(F)F)C1 ZINC001237291811 779070294 /nfs/dbraw/zinc/07/02/94/779070294.db2.gz GELPLLXNLGVBKA-LLVKDONJSA-N 1 1 268.282 2.946 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2ccc(Cl)cc2C)C1 ZINC001030888464 779078550 /nfs/dbraw/zinc/07/85/50/779078550.db2.gz ADSPBBQHDSIXDQ-UHFFFAOYSA-N 1 1 278.783 2.639 20 30 CFEDMO C=CCN1c2ccccc2[C@]2(CC[N@H+](CC(C)C)C2)C1=O ZINC001272410556 779080425 /nfs/dbraw/zinc/08/04/25/779080425.db2.gz JAKQVNATBYCAOH-GOSISDBHSA-N 1 1 284.403 2.819 20 30 CFEDMO Cc1ccc(C#N)c(NC(=O)[C@@H]2CCC[C@]23CC[N@H+](C)C3)c1 ZINC001278089141 779085044 /nfs/dbraw/zinc/08/50/44/779085044.db2.gz BGEADPCDIAWFPR-MAUKXSAKSA-N 1 1 297.402 2.927 20 30 CFEDMO N#Cc1cccc(CCCN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)c1 ZINC001237379732 779085931 /nfs/dbraw/zinc/08/59/31/779085931.db2.gz CWRYXZJVFGNQFA-MSOLQXFVSA-N 1 1 283.419 2.565 20 30 CFEDMO C=C(C)CN1CC[C@@]2(CC[N@H+](C[C@@H](C)CCC)C2)C1=O ZINC001272428995 779093338 /nfs/dbraw/zinc/09/33/38/779093338.db2.gz JFSYOWOEVJZZMH-DOTOQJQBSA-N 1 1 278.440 2.923 20 30 CFEDMO N#C[C@H]1CCC[N@@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168440061 779097792 /nfs/dbraw/zinc/09/77/92/779097792.db2.gz FXGWZEAEKNJMII-MLGOLLRUSA-N 1 1 258.340 2.919 20 30 CFEDMO N#C[C@H]1CCC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168440061 779097797 /nfs/dbraw/zinc/09/77/97/779097797.db2.gz FXGWZEAEKNJMII-MLGOLLRUSA-N 1 1 258.340 2.919 20 30 CFEDMO CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C#N)CC1 ZINC001237411645 779101571 /nfs/dbraw/zinc/10/15/71/779101571.db2.gz AQJJUWPPFHNMLB-CQSZACIVSA-N 1 1 271.364 2.771 20 30 CFEDMO C=CCN1c2ccccc2[C@]2(CC[N@H+](CCC)C2)C1=O ZINC001272452226 779103865 /nfs/dbraw/zinc/10/38/65/779103865.db2.gz HUJSMFRPLUIOBV-QGZVFWFLSA-N 1 1 270.376 2.573 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001046229454 779108676 /nfs/dbraw/zinc/10/86/76/779108676.db2.gz QPZYRGPPTDKISH-WBTNSWJXSA-N 1 1 276.424 2.579 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@H](F)C(F)(F)CC2)ccn1 ZINC001237459353 779113100 /nfs/dbraw/zinc/11/31/00/779113100.db2.gz NYLOTWUFFAFWQN-LBPRGKRZSA-N 1 1 269.270 2.522 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC[C@H](F)C(F)(F)CC2)ccn1 ZINC001237459353 779113102 /nfs/dbraw/zinc/11/31/02/779113102.db2.gz NYLOTWUFFAFWQN-LBPRGKRZSA-N 1 1 269.270 2.522 20 30 CFEDMO Cc1ccccc1O[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC001237462042 779113151 /nfs/dbraw/zinc/11/31/51/779113151.db2.gz DSOFQJHRMGAZJT-KRWDZBQOSA-N 1 1 293.370 2.915 20 30 CFEDMO Cn1cc(C[N@H+]2CC[C@]3(CCCO3)C2)c2cc(C#N)ccc21 ZINC001237469534 779114692 /nfs/dbraw/zinc/11/46/92/779114692.db2.gz WIEUTRCFPRRMNI-GOSISDBHSA-N 1 1 295.386 2.805 20 30 CFEDMO Cn1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c2cc(C#N)ccc21 ZINC001237467999 779114903 /nfs/dbraw/zinc/11/49/03/779114903.db2.gz JIKUIFMOYHRIFF-GASCZTMLSA-N 1 1 293.370 2.746 20 30 CFEDMO CCOC(=O)Cc1ccc(C[N@H+](CC)CCC#N)cc1 ZINC001237479967 779117080 /nfs/dbraw/zinc/11/70/80/779117080.db2.gz UJKXACUYABWSCZ-UHFFFAOYSA-N 1 1 274.364 2.528 20 30 CFEDMO CCOC(=O)Cc1ccc(C[N@@H+](CC)CCC#N)cc1 ZINC001237479967 779117082 /nfs/dbraw/zinc/11/70/82/779117082.db2.gz UJKXACUYABWSCZ-UHFFFAOYSA-N 1 1 274.364 2.528 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)c(F)cc2F)CCC[C@]1(C)O ZINC001237524566 779126089 /nfs/dbraw/zinc/12/60/89/779126089.db2.gz KFAIGWYMFLJWMC-ZBEGNZNMSA-N 1 1 294.345 2.819 20 30 CFEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)C2CC(C)(C)C2)C1 ZINC001046292736 779134502 /nfs/dbraw/zinc/13/45/02/779134502.db2.gz XQPKIGWWMGGVRQ-INIZCTEOSA-N 1 1 264.413 2.579 20 30 CFEDMO CCCCCCC[N@@H+](CC)Cc1cc(C(=O)OC)n(C)n1 ZINC001237562395 779134759 /nfs/dbraw/zinc/13/47/59/779134759.db2.gz DMMPKPPKDOLJMI-UHFFFAOYSA-N 1 1 295.427 2.999 20 30 CFEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237603061 779139921 /nfs/dbraw/zinc/13/99/21/779139921.db2.gz GLTFDAJSPYIOPD-BETUJISGSA-N 1 1 268.364 2.969 20 30 CFEDMO C[C@H]1CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237608772 779141639 /nfs/dbraw/zinc/14/16/39/779141639.db2.gz JXKHQYZDIIIISI-ZDUSSCGKSA-N 1 1 268.364 2.828 20 30 CFEDMO CC[C@H]1CCC[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237607889 779141661 /nfs/dbraw/zinc/14/16/61/779141661.db2.gz AHXVXQVJUJVOMO-AWEZNQCLSA-N 1 1 254.337 2.580 20 30 CFEDMO COC(C)(C)[C@H]1CCC[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237614217 779143479 /nfs/dbraw/zinc/14/34/79/779143479.db2.gz NPNZQYKCGQBBGB-OAHLLOKOSA-N 1 1 298.390 2.595 20 30 CFEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206725 779156199 /nfs/dbraw/zinc/15/61/99/779156199.db2.gz UDNWWSDCQKRUIW-JKSUJKDBSA-N 1 1 290.451 2.923 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H](O)[C@@H](F)CC2)c1 ZINC001237747399 779173491 /nfs/dbraw/zinc/17/34/91/779173491.db2.gz VUYNGTQYZRLSOJ-KBPBESRZSA-N 1 1 282.746 2.506 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)[C@@H](F)CC2)c1 ZINC001237747399 779173494 /nfs/dbraw/zinc/17/34/94/779173494.db2.gz VUYNGTQYZRLSOJ-KBPBESRZSA-N 1 1 282.746 2.506 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c1 ZINC001237747122 779173577 /nfs/dbraw/zinc/17/35/77/779173577.db2.gz RLKQNWNMORHBCB-HNNXBMFYSA-N 1 1 296.773 2.898 20 30 CFEDMO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237752228 779174211 /nfs/dbraw/zinc/17/42/11/779174211.db2.gz TYHNCQRGMYESHA-QMTHXVAHSA-N 1 1 264.756 2.557 20 30 CFEDMO C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237752228 779174214 /nfs/dbraw/zinc/17/42/14/779174214.db2.gz TYHNCQRGMYESHA-QMTHXVAHSA-N 1 1 264.756 2.557 20 30 CFEDMO C[N@H+]1CCN(Cc2cc(Cl)cc(C#N)c2)CC1(C)C ZINC001237752869 779175154 /nfs/dbraw/zinc/17/51/54/779175154.db2.gz FVKFYNCGCZVEMR-UHFFFAOYSA-N 1 1 277.799 2.738 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC=CCC2)CC(C)(C)C1 ZINC001089311616 779203879 /nfs/dbraw/zinc/20/38/79/779203879.db2.gz CEADVVYZDAGUKR-JKSUJKDBSA-N 1 1 288.435 2.583 20 30 CFEDMO C=CC[NH+]1CCN(Cc2ccc(F)cc2OCCC)CC1 ZINC001237904480 779204666 /nfs/dbraw/zinc/20/46/66/779204666.db2.gz IHYZUIJHRZOKRD-UHFFFAOYSA-N 1 1 292.398 2.918 20 30 CFEDMO C=CC[NH+]1CCN(Cc2cc(F)cc(OCC)c2)CC1 ZINC001237916225 779208267 /nfs/dbraw/zinc/20/82/67/779208267.db2.gz FEZFUADYIOAXPJ-UHFFFAOYSA-N 1 1 278.371 2.528 20 30 CFEDMO Cc1sccc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001237969470 779218858 /nfs/dbraw/zinc/21/88/58/779218858.db2.gz NWASEQAQUFGGON-LBPRGKRZSA-N 1 1 265.403 2.831 20 30 CFEDMO Cc1sccc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001237969470 779218855 /nfs/dbraw/zinc/21/88/55/779218855.db2.gz NWASEQAQUFGGON-LBPRGKRZSA-N 1 1 265.403 2.831 20 30 CFEDMO C[C@]1(O)CCCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238079567 779247926 /nfs/dbraw/zinc/24/79/26/779247926.db2.gz DCZNONWUXRUZKH-HNNXBMFYSA-N 1 1 278.783 2.949 20 30 CFEDMO C[NH+]1CC2(C1)CCN(Cc1ccc(C#N)cc1Cl)CC2 ZINC001238086754 779249789 /nfs/dbraw/zinc/24/97/89/779249789.db2.gz OEXQAKVHQSGGOM-UHFFFAOYSA-N 1 1 289.810 2.739 20 30 CFEDMO C[N@H+]1C[C@H]2CCCN(Cc3ccc(C#N)cc3Cl)[C@H]2C1 ZINC001238086135 779249905 /nfs/dbraw/zinc/24/99/05/779249905.db2.gz WKWPCZLAYGBVMW-ZBFHGGJFSA-N 1 1 289.810 2.738 20 30 CFEDMO COc1c(C)cnc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1C ZINC001238175221 779269979 /nfs/dbraw/zinc/26/99/79/779269979.db2.gz OMYHUWJFHXFWDF-QKDCVEJESA-N 1 1 285.391 2.974 20 30 CFEDMO COc1c(C)c[nH+]c(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)c1C ZINC001238175221 779269985 /nfs/dbraw/zinc/26/99/85/779269985.db2.gz OMYHUWJFHXFWDF-QKDCVEJESA-N 1 1 285.391 2.974 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)ccc1Cl ZINC001238189448 779273308 /nfs/dbraw/zinc/27/33/08/779273308.db2.gz RDWIXHDKQMEIQS-KGLIPLIRSA-N 1 1 282.746 2.506 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)ccc1Cl ZINC001238189448 779273314 /nfs/dbraw/zinc/27/33/14/779273314.db2.gz RDWIXHDKQMEIQS-KGLIPLIRSA-N 1 1 282.746 2.506 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C#N)c2)CCC[C@H]1O ZINC001238189782 779274824 /nfs/dbraw/zinc/27/48/24/779274824.db2.gz WMJQZRUZMHJWHI-IAQYHMDHSA-N 1 1 278.783 2.804 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)CC[C@H]1O ZINC001238189683 779275023 /nfs/dbraw/zinc/27/50/23/779275023.db2.gz VRDHIEDXYJURGP-XHDPSFHLSA-N 1 1 278.783 2.804 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C[C@]1(C)O ZINC001238189687 779275095 /nfs/dbraw/zinc/27/50/95/779275095.db2.gz VYZOXVRISKDXJD-ABAIWWIYSA-N 1 1 278.783 2.804 20 30 CFEDMO C[N@H+]1C[C@@H]2CCCN(Cc3ccc(Cl)c(C#N)c3)[C@@H]2C1 ZINC001238191219 779275209 /nfs/dbraw/zinc/27/52/09/779275209.db2.gz KFYWYYPFJWTDGG-XJKSGUPXSA-N 1 1 289.810 2.738 20 30 CFEDMO CO[C@H]1CCC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238197345 779277231 /nfs/dbraw/zinc/27/72/31/779277231.db2.gz UXSWDYXGHSYNQT-ZDUSSCGKSA-N 1 1 264.756 2.822 20 30 CFEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238197345 779277235 /nfs/dbraw/zinc/27/72/35/779277235.db2.gz UXSWDYXGHSYNQT-ZDUSSCGKSA-N 1 1 264.756 2.822 20 30 CFEDMO C[N@@H+](Cc1ccc(Cl)c(C#N)c1)[C@@H]1CCCOC1 ZINC001238196423 779277543 /nfs/dbraw/zinc/27/75/43/779277543.db2.gz RFZQGGSZGCPUQI-CYBMUJFWSA-N 1 1 264.756 2.822 20 30 CFEDMO C[N@@H+](Cc1ccc(Cl)c(C#N)c1)[C@H]1CCCOC1 ZINC001238196425 779277865 /nfs/dbraw/zinc/27/78/65/779277865.db2.gz RFZQGGSZGCPUQI-ZDUSSCGKSA-N 1 1 264.756 2.822 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)ccc1Cl ZINC001238198017 779278489 /nfs/dbraw/zinc/27/84/89/779278489.db2.gz FEEQDPODODSNRI-JSGCOSHPSA-N 1 1 276.767 2.680 20 30 CFEDMO C=C(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccccc2)C1=O ZINC001272595069 779290364 /nfs/dbraw/zinc/29/03/64/779290364.db2.gz WGQQPZRFNBJFQD-GOSISDBHSA-N 1 1 284.403 2.830 20 30 CFEDMO C#CC[N@@H+](C)Cc1cc(C)cc(Br)c1OC ZINC001238322617 779293778 /nfs/dbraw/zinc/29/37/78/779293778.db2.gz FYRWBWFRXZZVJQ-UHFFFAOYSA-N 1 1 282.181 2.831 20 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C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC001034529255 780991070 /nfs/dbraw/zinc/99/10/70/780991070.db2.gz ZCRPYSNGVJVWNY-HNNXBMFYSA-N 1 1 289.423 2.874 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001034523455 780991332 /nfs/dbraw/zinc/99/13/32/780991332.db2.gz LCYAHVHUBZZWJA-OAHLLOKOSA-N 1 1 297.402 2.938 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001034531358 780992655 /nfs/dbraw/zinc/99/26/55/780992655.db2.gz GNUCXBDIVGXLII-PQUAAJSLSA-N 1 1 288.435 2.561 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2c(C)cccc2F)C1 ZINC001034550911 780994252 /nfs/dbraw/zinc/99/42/52/780994252.db2.gz CBOUXXPDAAINEI-AWEZNQCLSA-N 1 1 290.382 2.904 20 30 CFEDMO COCC[N@@H+](C)Cc1ccnc(-c2cc(F)cc(C#N)c2)c1 ZINC001241655613 781050625 /nfs/dbraw/zinc/05/06/25/781050625.db2.gz VDQVWPXARWBYFN-UHFFFAOYSA-N 1 1 299.349 2.838 20 30 CFEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1occc1C)CC2 ZINC001035161552 781120262 /nfs/dbraw/zinc/12/02/62/781120262.db2.gz 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CC(C)N(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000602085442 350838987 /nfs/dbraw/zinc/83/89/87/350838987.db2.gz MUEYQFJIVIYGSN-QGZVFWFLSA-N 1 1 299.418 2.637 20 30 CFEDMO CC(C)c1[nH+]ccn1CC(=O)N1CCCC(C)(C)[C@H]1C#N ZINC000602138461 350845912 /nfs/dbraw/zinc/84/59/12/350845912.db2.gz ATKDOGHUFTVBHQ-CYBMUJFWSA-N 1 1 288.395 2.547 20 30 CFEDMO CNc1ccc(C#N)cc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000602144519 350847029 /nfs/dbraw/zinc/84/70/29/350847029.db2.gz WZOUAIHYYUTUOH-UHFFFAOYSA-N 1 1 288.395 2.516 20 30 CFEDMO N#CCc1cccc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000602157501 350847930 /nfs/dbraw/zinc/84/79/30/350847930.db2.gz GGJPXOVHYWEUNC-INIZCTEOSA-N 1 1 283.375 2.708 20 30 CFEDMO CCC[N@H+]1CC[C@@H](CNCc2cccc(F)c2C#N)C1 ZINC000602007120 350828882 /nfs/dbraw/zinc/82/88/82/350828882.db2.gz MTMDORPVUXLWHG-ZDUSSCGKSA-N 1 1 275.371 2.519 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)CCN(C)c1ccccc1 ZINC000602476591 350898968 /nfs/dbraw/zinc/89/89/68/350898968.db2.gz SREJTMHBNMPRKI-HNNXBMFYSA-N 1 1 259.397 2.994 20 30 CFEDMO CC[C@H]1C[N@@H+](C[C@@H](C)CCC#N)CCN1CC(F)F ZINC000602479122 350899753 /nfs/dbraw/zinc/89/97/53/350899753.db2.gz FNICSJFRHADQLA-STQMWFEESA-N 1 1 273.371 2.588 20 30 CFEDMO CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)CCC#N)C1 ZINC000602488660 350904352 /nfs/dbraw/zinc/90/43/52/350904352.db2.gz ZVGQSYWODPSYLT-GJZGRUSLSA-N 1 1 251.418 2.590 20 30 CFEDMO CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602488660 350904353 /nfs/dbraw/zinc/90/43/53/350904353.db2.gz ZVGQSYWODPSYLT-GJZGRUSLSA-N 1 1 251.418 2.590 20 30 CFEDMO CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602488660 350904355 /nfs/dbraw/zinc/90/43/55/350904355.db2.gz ZVGQSYWODPSYLT-GJZGRUSLSA-N 1 1 251.418 2.590 20 30 CFEDMO C[C@H](CCC#N)CNc1cccc(C[NH+]2CCOCC2)c1 ZINC000602493106 350904836 /nfs/dbraw/zinc/90/48/36/350904836.db2.gz NMTYVIAQFFFNQW-OAHLLOKOSA-N 1 1 287.407 2.871 20 30 CFEDMO N#CC1CCC([NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC000602518997 350912786 /nfs/dbraw/zinc/91/27/86/350912786.db2.gz CTSANJCIIXMVMB-UHFFFAOYSA-N 1 1 261.413 2.533 20 30 CFEDMO N#Cc1cccc(C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)n1 ZINC000602536646 350917777 /nfs/dbraw/zinc/91/77/77/350917777.db2.gz VXUPFPLZIRTVHS-ZWKOTPCHSA-N 1 1 293.370 2.963 20 30 CFEDMO CCc1nc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)cs1 ZINC000602541942 350918674 /nfs/dbraw/zinc/91/86/74/350918674.db2.gz PBUNTCZWZIRTQT-GFCCVEGCSA-N 1 1 293.436 2.894 20 30 CFEDMO C[C@@H](CCC#N)C[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000602548211 350919953 /nfs/dbraw/zinc/91/99/53/350919953.db2.gz RZMJEOYWSYTGLW-ZDUSSCGKSA-N 1 1 277.387 2.917 20 30 CFEDMO CC[C@@H]([NH2+]Cc1cccc(C#N)n1)c1c(C)noc1C ZINC000602576567 350931211 /nfs/dbraw/zinc/93/12/11/350931211.db2.gz OFPVGNBZYSTWRK-CQSZACIVSA-N 1 1 270.336 2.799 20 30 CFEDMO Cc1cccc2nc(C[NH2+]C[C@@H](C)CCC#N)[nH]c21 ZINC000602581971 350933337 /nfs/dbraw/zinc/93/33/37/350933337.db2.gz UYYIHUDYAQXHNB-NSHDSACASA-N 1 1 256.353 2.901 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000602581389 350933893 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/nfs/dbraw/zinc/11/44/41/189114441.db2.gz AEOSHQRIUSSMFA-KRWDZBQOSA-N 1 1 251.395 2.822 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cn(C)cn1 ZINC000683898096 540785120 /nfs/dbraw/zinc/78/51/20/540785120.db2.gz KYJQNWZLQXASDO-UHFFFAOYSA-N 1 1 255.365 2.651 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)Cc1cn(C)cn1 ZINC000683898096 540785122 /nfs/dbraw/zinc/78/51/22/540785122.db2.gz KYJQNWZLQXASDO-UHFFFAOYSA-N 1 1 255.365 2.651 20 30 CFEDMO N#Cc1ccc(CN2CCC[N@H+](C3CCCC3)CC2)o1 ZINC000179769887 189219323 /nfs/dbraw/zinc/21/93/23/189219323.db2.gz GKFSADAOGKSSPZ-UHFFFAOYSA-N 1 1 273.380 2.602 20 30 CFEDMO N#Cc1ccc2c(c1)[C@H](NC[C@@H]([NH3+])c1ccccc1)CC2 ZINC000423254661 238312290 /nfs/dbraw/zinc/31/22/90/238312290.db2.gz ZBEBSNSJIZNDLP-QZTJIDSGSA-N 1 1 277.371 2.835 20 30 CFEDMO C#CCCCCC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000180365414 189251683 /nfs/dbraw/zinc/25/16/83/189251683.db2.gz TZAHXNZXIMBYJI-SJLPKXTDSA-N 1 1 298.430 2.959 20 30 CFEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](O)C(F)(F)F 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ZINC000348023858 781941478 /nfs/dbraw/zinc/94/14/78/781941478.db2.gz CLDNQUKDJZRPKL-KRWDZBQOSA-N 1 1 275.392 2.523 20 30 CFEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C#N)o1)c1nccs1 ZINC000183262969 189352639 /nfs/dbraw/zinc/35/26/39/189352639.db2.gz WGCNDCUGZFCKTA-JTQLQIEISA-N 1 1 261.350 2.843 20 30 CFEDMO CO[C@H](C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)C1CC1 ZINC000425536961 239092630 /nfs/dbraw/zinc/09/26/30/239092630.db2.gz PTFWRPOEPLXIGI-BLLLJJGKSA-N 1 1 258.365 2.976 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCOCC(F)F ZINC000425536060 239092714 /nfs/dbraw/zinc/09/27/14/239092714.db2.gz OBBODEYNESHKHE-LLVKDONJSA-N 1 1 268.307 2.833 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnc(N)c1 ZINC000425538415 239095303 /nfs/dbraw/zinc/09/53/03/239095303.db2.gz RUXQKSHXADIVHS-GFCCVEGCSA-N 1 1 266.348 2.559 20 30 CFEDMO Cc1cc(C[N@@H+](C)[C@H](C)c2cccc(C#N)c2)ncn1 ZINC000425542059 239095850 /nfs/dbraw/zinc/09/58/50/239095850.db2.gz XYUQOOUXSRJQQC-CYBMUJFWSA-N 1 1 266.348 2.850 20 30 CFEDMO Cc1cc(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)ncn1 ZINC000425542059 239095857 /nfs/dbraw/zinc/09/58/57/239095857.db2.gz XYUQOOUXSRJQQC-CYBMUJFWSA-N 1 1 266.348 2.850 20 30 CFEDMO CC[C@@H]1CCCC[N@H+]1CCNc1nc2ccccn2c1C#N ZINC000302125485 201352268 /nfs/dbraw/zinc/35/22/68/201352268.db2.gz ZLKQVZYIHTWYJY-CQSZACIVSA-N 1 1 297.406 2.882 20 30 CFEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000074020820 541224181 /nfs/dbraw/zinc/22/41/81/541224181.db2.gz YNSGCCAHTHEISL-UHFFFAOYSA-N 1 1 290.363 2.642 20 30 CFEDMO CC[N@H+]1CCCC[C@H]1CNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302210437 201399411 /nfs/dbraw/zinc/39/94/11/201399411.db2.gz MEWSFRKKPXHOOZ-ZDUSSCGKSA-N 1 1 288.351 2.753 20 30 CFEDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CCC(C)(C)C#N)C[C@H](C)O2 ZINC000347075633 297317006 /nfs/dbraw/zinc/31/70/06/297317006.db2.gz FFEFUATZSMAJKW-YCPHGPKFSA-N 1 1 280.412 2.585 20 30 CFEDMO CCCN1CCC([NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000443983405 241102156 /nfs/dbraw/zinc/10/21/56/241102156.db2.gz HMVOQGPWRPIXDI-UHFFFAOYSA-N 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/nfs/dbraw/zinc/38/73/05/242387305.db2.gz SEFJCJLMVBWPGW-JQWIXIFHSA-N 1 1 286.335 2.504 20 30 CFEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(C#N)cn1 ZINC000571294701 383681995 /nfs/dbraw/zinc/68/19/95/383681995.db2.gz CCHGZNZZCMJTRZ-UHFFFAOYSA-N 1 1 281.359 2.984 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CCCO)C1 ZINC000452126566 243054849 /nfs/dbraw/zinc/05/48/49/243054849.db2.gz KHMVZIVWLJMGJF-DZGCQCFKSA-N 1 1 258.365 2.714 20 30 CFEDMO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000249130977 284066520 /nfs/dbraw/zinc/06/65/20/284066520.db2.gz UVKWWHMCBLAOLH-DVOMOZLQSA-N 1 1 286.375 2.750 20 30 CFEDMO C=CC[C@@H](CC)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000574247905 335003868 /nfs/dbraw/zinc/00/38/68/335003868.db2.gz PKBLYWZTELLZLN-CYBMUJFWSA-N 1 1 260.385 2.655 20 30 CFEDMO C=CCC[N@H+](C)C[C@@H](O)COc1c(C)cccc1C ZINC000276075202 193205935 /nfs/dbraw/zinc/20/59/35/193205935.db2.gz AKJGTWXZUVFRMP-OAHLLOKOSA-N 1 1 263.381 2.551 20 30 CFEDMO C=CCC[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000276079476 193206944 /nfs/dbraw/zinc/20/69/44/193206944.db2.gz AWMHEYYNLKWSMM-CYBMUJFWSA-N 1 1 269.772 2.588 20 30 CFEDMO CC(C)C(=O)N[C@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000330824098 203281108 /nfs/dbraw/zinc/28/11/08/203281108.db2.gz OAFQGOFCIKSNGI-PBHICJAKSA-N 1 1 299.418 2.856 20 30 CFEDMO C=CC[N@@H+](CCc1ccnn1C)CCc1ccccc1 ZINC000276286957 193273125 /nfs/dbraw/zinc/27/31/25/193273125.db2.gz GZCNVPNDIRVVSJ-UHFFFAOYSA-N 1 1 269.392 2.693 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)C(=O)NCCc1ccccc1C ZINC000276452276 193335850 /nfs/dbraw/zinc/33/58/50/193335850.db2.gz PRZYPHBZEDWLHP-OAHLLOKOSA-N 1 1 274.408 2.550 20 30 CFEDMO C=CCC[N@H+](C)C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000276417778 193323132 /nfs/dbraw/zinc/32/31/32/193323132.db2.gz MHXRDCCPYXVREJ-OAHLLOKOSA-N 1 1 263.381 2.551 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000276527793 193368200 /nfs/dbraw/zinc/36/82/00/193368200.db2.gz ZOICWPKQKUHPHC-GFCCVEGCSA-N 1 1 292.379 2.539 20 30 CFEDMO COC(=O)[C@@]1(C)CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000412114674 284229845 /nfs/dbraw/zinc/22/98/45/284229845.db2.gz YBJJUUIKEZMBTQ-DYVFJYSZSA-N 1 1 286.375 2.894 20 30 CFEDMO CCC#C[C@@H](C)[NH+]1CCN(Cc2ccccc2)CC1 ZINC000677047499 541813758 /nfs/dbraw/zinc/81/37/58/541813758.db2.gz CJDVDOZGRCVQLC-MRXNPFEDSA-N 1 1 256.393 2.606 20 30 CFEDMO C=C(C)[C@@H](CO)[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000677133476 541826428 /nfs/dbraw/zinc/82/64/28/541826428.db2.gz XXBUPOLAUTXRMS-MRVPVSSYSA-N 1 1 291.235 2.740 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000677133476 541826432 /nfs/dbraw/zinc/82/64/32/541826432.db2.gz XXBUPOLAUTXRMS-MRVPVSSYSA-N 1 1 291.235 2.740 20 30 CFEDMO C=CCC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC000635994339 383682191 /nfs/dbraw/zinc/68/21/91/383682191.db2.gz CGJJBFKGKMQCIW-AWEZNQCLSA-N 1 1 264.413 2.581 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cccc(C#N)c1 ZINC000459797066 245331718 /nfs/dbraw/zinc/33/17/18/245331718.db2.gz RWRMUEUHGIBBSP-NEPJUHHUSA-N 1 1 254.337 2.704 20 30 CFEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000677476536 541864153 /nfs/dbraw/zinc/86/41/53/541864153.db2.gz UEUWUJVRNLHCBH-CYBMUJFWSA-N 1 1 289.297 2.954 20 30 CFEDMO Cc1nnc([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[nH]1 ZINC000329216917 227358397 /nfs/dbraw/zinc/35/83/97/227358397.db2.gz PHBLBZKDPNJBAG-GWCFXTLKSA-N 1 1 291.399 2.538 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000019846695 372200963 /nfs/dbraw/zinc/20/09/63/372200963.db2.gz RLOIIKRKIJMXSI-CYBMUJFWSA-N 1 1 271.364 2.761 20 30 CFEDMO C[C@@H]([N@@H+](C)C[C@@H](O)COc1ccc(C#N)cc1)C(C)(C)C ZINC000027136105 372335662 /nfs/dbraw/zinc/33/56/62/372335662.db2.gz NOCHGDRBCHGUDN-UKRRQHHQSA-N 1 1 290.407 2.664 20 30 CFEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc2c(c1)OCO2 ZINC000030535798 372393733 /nfs/dbraw/zinc/39/37/33/372393733.db2.gz QGPRMWSXHFFQKK-NEPJUHHUSA-N 1 1 271.320 2.509 20 30 CFEDMO C=C(C)C[N@@H+](CC[C@H]1CCNC1=O)Cc1ccccc1 ZINC000574410282 335017526 /nfs/dbraw/zinc/01/75/26/335017526.db2.gz FHZWRJUZFAYPFC-MRXNPFEDSA-N 1 1 272.392 2.591 20 30 CFEDMO CC[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000034674494 372512171 /nfs/dbraw/zinc/51/21/71/372512171.db2.gz ATESIHOPWODGKY-HOTGVXAUSA-N 1 1 288.391 2.562 20 30 CFEDMO CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CCCC1 ZINC000035766141 372550002 /nfs/dbraw/zinc/55/00/02/372550002.db2.gz QQXVAAWSIFETON-UHFFFAOYSA-N 1 1 271.364 2.761 20 30 CFEDMO CC[N@@H+](CC(C)C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000037111576 372651026 /nfs/dbraw/zinc/65/10/26/372651026.db2.gz FTWKHBWDJTUVLF-ZDUSSCGKSA-N 1 1 273.380 2.863 20 30 CFEDMO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc(C#N)c2)C1 ZINC000037644626 372681773 /nfs/dbraw/zinc/68/17/73/372681773.db2.gz OFHZBDCQSSEMFO-ZFWWWQNUSA-N 1 1 257.381 2.551 20 30 CFEDMO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc(C#N)c2)C1 ZINC000037644626 372681781 /nfs/dbraw/zinc/68/17/81/372681781.db2.gz OFHZBDCQSSEMFO-ZFWWWQNUSA-N 1 1 257.381 2.551 20 30 CFEDMO 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2.588 20 30 CFEDMO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2/C=C/c2ccccc2)C1=O ZINC000337205784 382776839 /nfs/dbraw/zinc/77/68/39/382776839.db2.gz LFOVOYNIFGCCJR-QTYXSNHHSA-N 1 1 296.414 2.951 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)CC[C@@H]2CCC[C@H](C)C2)C1=O ZINC000337229357 382781128 /nfs/dbraw/zinc/78/11/28/382781128.db2.gz RTMHNYHXXGQMDV-JYJNAYRXSA-N 1 1 278.440 2.922 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCC[C@@H](C)C2)C1=O ZINC000337232918 382781655 /nfs/dbraw/zinc/78/16/55/382781655.db2.gz VYPFCLPWJPKCJK-ILXRZTDVSA-N 1 1 264.413 2.531 20 30 CFEDMO C=CC[C@@H]1[N@H+]([C@H]2CCN(CC=C)C2=O)CCCC1(C)C ZINC000337256049 382787233 /nfs/dbraw/zinc/78/72/33/382787233.db2.gz TUOIEIFHSDYUTQ-GJZGRUSLSA-N 1 1 276.424 2.840 20 30 CFEDMO Cc1ccc(C#N)c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000194309344 382739957 /nfs/dbraw/zinc/73/99/57/382739957.db2.gz HNMHWTBAXBHUDJ-UHFFFAOYSA-N 1 1 292.386 2.584 20 30 CFEDMO C[C@@H]([NH2+][C@H](C)c1ccccn1)C(=O)Nc1ccccc1C#N ZINC000194713984 382752752 /nfs/dbraw/zinc/75/27/52/382752752.db2.gz CTEMIOIACDVEII-CHWSQXEVSA-N 1 1 294.358 2.631 20 30 CFEDMO C=CC[N@@H+](CCOCC(C)C)CCc1ccco1 ZINC000337328595 382802668 /nfs/dbraw/zinc/80/26/68/382802668.db2.gz YXABCISHMONQEC-UHFFFAOYSA-N 1 1 251.370 2.983 20 30 CFEDMO CC[C@H](NCCC[NH2+]C(C)C)c1ccc(C#N)cc1 ZINC000576099160 382809981 /nfs/dbraw/zinc/80/99/81/382809981.db2.gz BOSDRWFKGJTLBF-INIZCTEOSA-N 1 1 259.397 2.987 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)nc1 ZINC000576118556 382811327 /nfs/dbraw/zinc/81/13/27/382811327.db2.gz PWJMGZUDYGRSPC-OAHLLOKOSA-N 1 1 252.321 2.618 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)nc1 ZINC000576118556 382811329 /nfs/dbraw/zinc/81/13/29/382811329.db2.gz PWJMGZUDYGRSPC-OAHLLOKOSA-N 1 1 252.321 2.618 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)nc1 ZINC000576118555 382811406 /nfs/dbraw/zinc/81/14/06/382811406.db2.gz PWJMGZUDYGRSPC-HNNXBMFYSA-N 1 1 252.321 2.618 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccc[nH]2)nc1 ZINC000576118555 382811407 /nfs/dbraw/zinc/81/14/07/382811407.db2.gz PWJMGZUDYGRSPC-HNNXBMFYSA-N 1 1 252.321 2.618 20 30 CFEDMO C=CC[C@H]1[N@@H+](CCN2CCO[C@H](C)C2)CCCC1(C)C ZINC000337474605 382827439 /nfs/dbraw/zinc/82/74/39/382827439.db2.gz RJGDVUQDFYOOBW-HZPDHXFCSA-N 1 1 280.456 2.774 20 30 CFEDMO C[N@H+]1CCC[C@H]2CN(c3ccc(C#N)cc3F)CC[C@H]21 ZINC000227335404 382835781 /nfs/dbraw/zinc/83/57/81/382835781.db2.gz NXSRBJUSULZNMK-DZGCQCFKSA-N 1 1 273.355 2.618 20 30 CFEDMO N#Cc1c(F)cccc1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000227423627 382837153 /nfs/dbraw/zinc/83/71/53/382837153.db2.gz KXDCSDHMUVYJEE-GJZGRUSLSA-N 1 1 259.328 2.736 20 30 CFEDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCCC#N ZINC000493988396 382907982 /nfs/dbraw/zinc/90/79/82/382907982.db2.gz HKCPUHDDDOHNPF-CHWSQXEVSA-N 1 1 281.400 2.525 20 30 CFEDMO CC#CCN1CC[N@@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441333668 382908105 /nfs/dbraw/zinc/90/81/05/382908105.db2.gz BGCVYUJMRRTHPL-INIZCTEOSA-N 1 1 286.419 2.615 20 30 CFEDMO CC#CCN1CC[N@H+](Cc2ccccc2OCC)C[C@@H]1C ZINC000441333668 382908111 /nfs/dbraw/zinc/90/81/11/382908111.db2.gz BGCVYUJMRRTHPL-INIZCTEOSA-N 1 1 286.419 2.615 20 30 CFEDMO CC#CC[N@H+]1CCN(Cc2ccccc2OCC)C[C@@H]1C ZINC000441333668 382908115 /nfs/dbraw/zinc/90/81/15/382908115.db2.gz BGCVYUJMRRTHPL-INIZCTEOSA-N 1 1 286.419 2.615 20 30 CFEDMO CC#CC[N@@H+]1CCN(Cc2ccccc2OCC)C[C@@H]1C ZINC000441333668 382908118 /nfs/dbraw/zinc/90/81/18/382908118.db2.gz BGCVYUJMRRTHPL-INIZCTEOSA-N 1 1 286.419 2.615 20 30 CFEDMO C=CCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000493987978 382908367 /nfs/dbraw/zinc/90/83/67/382908367.db2.gz CIQZZFVLMPYVLO-QWHCGFSZSA-N 1 1 268.401 2.798 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494113462 382909346 /nfs/dbraw/zinc/90/93/46/382909346.db2.gz MYKKHCBFXLRZQN-KGLIPLIRSA-N 1 1 280.412 2.635 20 30 CFEDMO C#CCCC[N@@H+](C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494143570 382909838 /nfs/dbraw/zinc/90/98/38/382909838.db2.gz YVPIOOKBPDPFLX-HNNXBMFYSA-N 1 1 292.423 2.874 20 30 CFEDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000577802237 382870655 /nfs/dbraw/zinc/87/06/55/382870655.db2.gz MZXQUKGGIZQHIS-CQSZACIVSA-N 1 1 279.428 2.840 20 30 CFEDMO COC(=O)c1cccc(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1C#N ZINC000533760801 382910156 /nfs/dbraw/zinc/91/01/56/382910156.db2.gz HXSIZJDZZHAHJY-NEPJUHHUSA-N 1 1 272.348 2.575 20 30 CFEDMO C[N@@H+](CCCCC(C)(C)C#N)CCN1CCCC1 ZINC000234271788 382873791 /nfs/dbraw/zinc/87/37/91/382873791.db2.gz ZZIUDRYQBYIMEC-UHFFFAOYSA-N 1 1 251.418 2.734 20 30 CFEDMO CN(CCCCC(C)(C)C#N)CC[NH+]1CCCC1 ZINC000234271788 382873793 /nfs/dbraw/zinc/87/37/93/382873793.db2.gz ZZIUDRYQBYIMEC-UHFFFAOYSA-N 1 1 251.418 2.734 20 30 CFEDMO COc1cc(C[N@H+]2CCS[C@H](C)C2)ccc1C#N ZINC000234992298 382875911 /nfs/dbraw/zinc/87/59/11/382875911.db2.gz VCRFNUBDXPMVKS-LLVKDONJSA-N 1 1 262.378 2.504 20 30 CFEDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CCCCC(C)(C)C#N ZINC000235562717 382883911 /nfs/dbraw/zinc/88/39/11/382883911.db2.gz JWLBMYFDBLQQSV-KBPBESRZSA-N 1 1 252.402 2.942 20 30 CFEDMO COC(=O)CC1(C[N@@H+](CCC#N)CC(C)(C)C)CC1 ZINC000440799368 382884397 /nfs/dbraw/zinc/88/43/97/382884397.db2.gz TXHMEDXQGKRPRP-UHFFFAOYSA-N 1 1 266.385 2.591 20 30 CFEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1nc(-c2ccccc2)no1 ZINC000578028075 382884681 /nfs/dbraw/zinc/88/46/81/382884681.db2.gz GABHLPLCXUBWMZ-YUTCNCBUSA-N 1 1 285.347 2.731 20 30 CFEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@@H](c1ccccc1)N(C)C ZINC000578065060 382887078 /nfs/dbraw/zinc/88/70/78/382887078.db2.gz CVBQZFNVIIRXAP-UXLLHSPISA-N 1 1 284.407 2.711 20 30 CFEDMO CCC1CCC([NH2+]CCCCC#N)(C(=O)OC)CC1 ZINC000440907850 382889059 /nfs/dbraw/zinc/88/90/59/382889059.db2.gz ATQXVBYOHNLPRD-UHFFFAOYSA-N 1 1 266.385 2.782 20 30 CFEDMO C=C[C@@H]1CCCCN1C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000494411779 382912242 /nfs/dbraw/zinc/91/22/42/382912242.db2.gz ONZABKMLJCZIBE-ARFHVFGLSA-N 1 1 293.455 2.857 20 30 CFEDMO CN(C)Cc1cc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)ccc1F ZINC000442771892 382953297 /nfs/dbraw/zinc/95/32/97/382953297.db2.gz UYAOYKIWURSRJI-IUODEOHRSA-N 1 1 275.371 2.669 20 30 CFEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccn(C)n1 ZINC000421872558 382955974 /nfs/dbraw/zinc/95/59/74/382955974.db2.gz GWGLPJPVQILSLJ-GFCCVEGCSA-N 1 1 260.366 2.594 20 30 CFEDMO Cn1ccnc1[C@H]1CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000536593707 382956053 /nfs/dbraw/zinc/95/60/53/382956053.db2.gz WCMSFGMHSNALNF-HNNXBMFYSA-N 1 1 299.805 2.915 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495067273 382957248 /nfs/dbraw/zinc/95/72/48/382957248.db2.gz OCLGBJOAABQBEM-OLZOCXBDSA-N 1 1 268.401 2.798 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495068339 382957599 /nfs/dbraw/zinc/95/75/99/382957599.db2.gz RIZSSIIUXGZODC-VXGBXAGGSA-N 1 1 288.819 2.974 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000541116655 382964888 /nfs/dbraw/zinc/96/48/88/382964888.db2.gz AXNONAINEOMNQG-XHSDSOJGSA-N 1 1 278.440 2.922 20 30 CFEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2nc(-c3ccccc3)no2)C1 ZINC000442843306 382960310 /nfs/dbraw/zinc/96/03/10/382960310.db2.gz SBBZDHXPFCYCTL-WCQYABFASA-N 1 1 268.320 2.518 20 30 CFEDMO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000539248123 382960870 /nfs/dbraw/zinc/96/08/70/382960870.db2.gz LDAVOWJVZOWOGT-QZTJIDSGSA-N 1 1 293.499 2.832 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000539248123 382960875 /nfs/dbraw/zinc/96/08/75/382960875.db2.gz LDAVOWJVZOWOGT-QZTJIDSGSA-N 1 1 293.499 2.832 20 30 CFEDMO CC[C@H](C)c1nnc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)[nH]1 ZINC000442851524 382961511 /nfs/dbraw/zinc/96/15/11/382961511.db2.gz FCALYYHIOBVHMW-NNYUYHANSA-N 1 1 261.373 2.661 20 30 CFEDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000441429284 382914199 /nfs/dbraw/zinc/91/41/99/382914199.db2.gz OMGXSGRXBHKLDZ-NEPJUHHUSA-N 1 1 282.347 2.839 20 30 CFEDMO CC(C)(C#N)CC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000578366238 382914995 /nfs/dbraw/zinc/91/49/95/382914995.db2.gz SGPBULBRZUHATK-GOSISDBHSA-N 1 1 299.418 2.707 20 30 CFEDMO Cc1ccsc1[C@H](CO)[NH2+]Cc1ccc(F)cc1C#N ZINC000494675114 382917888 /nfs/dbraw/zinc/91/78/88/382917888.db2.gz YTQUNWARTGQJGS-AWEZNQCLSA-N 1 1 290.363 2.891 20 30 CFEDMO Cc1c(C#N)cccc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000338126559 382927867 /nfs/dbraw/zinc/92/78/67/382927867.db2.gz DUHZHMDMLVZQSH-INIZCTEOSA-N 1 1 299.418 2.813 20 30 CFEDMO C[C@@H]1COCC[N@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000338250590 382963280 /nfs/dbraw/zinc/96/32/80/382963280.db2.gz NLZAMQSDFAZURY-NSHDSACASA-N 1 1 296.317 2.628 20 30 CFEDMO C[C@@H]1COCC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000338250590 382963285 /nfs/dbraw/zinc/96/32/85/382963285.db2.gz NLZAMQSDFAZURY-NSHDSACASA-N 1 1 296.317 2.628 20 30 CFEDMO C=CC1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000534473517 382931327 /nfs/dbraw/zinc/93/13/27/382931327.db2.gz PMDQEDMTYQFFLZ-UHFFFAOYSA-N 1 1 284.359 2.743 20 30 CFEDMO COC(=O)c1cccc(C[NH+]2CCC(C)(C)CC2)c1C#N ZINC000534473047 382931734 /nfs/dbraw/zinc/93/17/34/382931734.db2.gz ADRWTUMGBIYKPJ-UHFFFAOYSA-N 1 1 286.375 2.967 20 30 CFEDMO CCCNC(=O)[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444614947 382974931 /nfs/dbraw/zinc/97/49/31/382974931.db2.gz XVCXZTHHQZTLRT-HNNXBMFYSA-N 1 1 293.455 2.945 20 30 CFEDMO CC(C)OC(=O)[C@H](C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000444641318 382976064 /nfs/dbraw/zinc/97/60/64/382976064.db2.gz DOXYQQCYDTVGGE-ZDUSSCGKSA-N 1 1 268.401 2.978 20 30 CFEDMO C[N@@H+](CCCCC(C)(C)C#N)C1(CCO)CCOCC1 ZINC000444678356 382976407 /nfs/dbraw/zinc/97/64/07/382976407.db2.gz WMIZQLYXSIEWPP-UHFFFAOYSA-N 1 1 282.428 2.570 20 30 CFEDMO C=CCCC[C@H](C)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000444685136 382976743 /nfs/dbraw/zinc/97/67/43/382976743.db2.gz NOTYIKSOXGBGME-AWEZNQCLSA-N 1 1 264.413 2.676 20 30 CFEDMO C#CCCC[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495276708 382977589 /nfs/dbraw/zinc/97/75/89/382977589.db2.gz PVHPRYJSTVYTJC-KBPBESRZSA-N 1 1 280.412 2.635 20 30 CFEDMO C[N@@H+](CCC(=O)NC1(C#N)CCCC1)C1CCCCC1 ZINC000545309090 382977849 /nfs/dbraw/zinc/97/78/49/382977849.db2.gz YLNWPNMBDHIEMZ-UHFFFAOYSA-N 1 1 277.412 2.594 20 30 CFEDMO C[C@@H]1[C@H](C)[N@@H+](CCCCC(C)(C)C#N)CCN1C ZINC000444687607 382978451 /nfs/dbraw/zinc/97/84/51/382978451.db2.gz GZGVKRNQUJMXML-KGLIPLIRSA-N 1 1 251.418 2.731 20 30 CFEDMO C[C@@H]1[C@H](C)N(CCCCC(C)(C)C#N)CC[N@H+]1C ZINC000444687607 382978455 /nfs/dbraw/zinc/97/84/55/382978455.db2.gz GZGVKRNQUJMXML-KGLIPLIRSA-N 1 1 251.418 2.731 20 30 CFEDMO C[C@@H]1[C@H](C)N(CCCCC(C)(C)C#N)CC[N@@H+]1C ZINC000444687607 382978459 /nfs/dbraw/zinc/97/84/59/382978459.db2.gz GZGVKRNQUJMXML-KGLIPLIRSA-N 1 1 251.418 2.731 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444725795 382979274 /nfs/dbraw/zinc/97/92/74/382979274.db2.gz NXOGOYSDPZISSU-RYUDHWBXSA-N 1 1 292.345 2.952 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1ccc(F)c(C)c1 ZINC000444742621 382979524 /nfs/dbraw/zinc/97/95/24/382979524.db2.gz WULIURYNOBIRSL-UHFFFAOYSA-N 1 1 290.382 2.767 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000444742621 382979529 /nfs/dbraw/zinc/97/95/29/382979529.db2.gz WULIURYNOBIRSL-UHFFFAOYSA-N 1 1 290.382 2.767 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](C(C)C)C1 ZINC000444764508 382980303 /nfs/dbraw/zinc/98/03/03/382980303.db2.gz BLYFLLHQKVLLOU-HOTGVXAUSA-N 1 1 278.440 2.944 20 30 CFEDMO C=CC[C@@H]1[N@@H+](C[C@H](O)CCOCC)CCCC1(C)C ZINC000444778953 382980365 /nfs/dbraw/zinc/98/03/65/382980365.db2.gz KDVIKQTVJVYGJX-CABCVRRESA-N 1 1 269.429 2.841 20 30 CFEDMO C=CC[C@@H]1[N@H+](CCN2CCCC2=O)CCCC1(C)C ZINC000444775773 382980429 /nfs/dbraw/zinc/98/04/29/382980429.db2.gz NWWBVINPDLHZMB-AWEZNQCLSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000444764510 382980472 /nfs/dbraw/zinc/98/04/72/382980472.db2.gz BLYFLLHQKVLLOU-JKSUJKDBSA-N 1 1 278.440 2.944 20 30 CFEDMO CCC[C@]1(CO)CCC[N@H+]1CCCC(C)(C)C#N ZINC000444767693 382981225 /nfs/dbraw/zinc/98/12/25/382981225.db2.gz RKNCVEIPONQPPQ-OAHLLOKOSA-N 1 1 252.402 2.943 20 30 CFEDMO C=CC[C@H]1[N@@H+](CC(=O)N(C)CC)CCCC1(C)C ZINC000444784469 382982366 /nfs/dbraw/zinc/98/23/66/382982366.db2.gz NYLLJUFDVYJOPD-CYBMUJFWSA-N 1 1 252.402 2.531 20 30 CFEDMO C=C(C)C[N@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000444801091 382982580 /nfs/dbraw/zinc/98/25/80/382982580.db2.gz KXGBLUKTAWDJRH-OAHLLOKOSA-N 1 1 263.381 2.713 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCCC(C)(C)C1 ZINC000446070731 382987423 /nfs/dbraw/zinc/98/74/23/382987423.db2.gz KNQPVYOGGTUHEF-INIZCTEOSA-N 1 1 279.428 2.553 20 30 CFEDMO CC1(C)CCCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000446058652 382987608 /nfs/dbraw/zinc/98/76/08/382987608.db2.gz BFOOZSQGUDWFCK-UHFFFAOYSA-N 1 1 291.439 2.841 20 30 CFEDMO CCC1(CC)CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000446737103 382990981 /nfs/dbraw/zinc/99/09/81/382990981.db2.gz YOGIOKOBMDXIEI-GOEBONIOSA-N 1 1 293.455 2.941 20 30 CFEDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](CCCC#N)C1 ZINC000495715940 383017564 /nfs/dbraw/zinc/01/75/64/383017564.db2.gz IZGFSFBPTKYKST-OAHLLOKOSA-N 1 1 281.400 2.527 20 30 CFEDMO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495590668 382999157 /nfs/dbraw/zinc/99/91/57/382999157.db2.gz DIHXAGTUWOYQEQ-UONOGXRCSA-N 1 1 298.427 2.567 20 30 CFEDMO Cc1nc2ccc(C[NH2+]CC3(C#N)CC3)cc2s1 ZINC000579307902 383000942 /nfs/dbraw/zinc/00/09/42/383000942.db2.gz WLMLEVQWURCJHZ-UHFFFAOYSA-N 1 1 257.362 2.998 20 30 CFEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000245464685 383001977 /nfs/dbraw/zinc/00/19/77/383001977.db2.gz YAKYNGOUGFJFEV-ZMSDIMECSA-N 1 1 293.455 2.941 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000245534305 383004291 /nfs/dbraw/zinc/00/42/91/383004291.db2.gz DTCPRMLSZBVDBG-MJBXVCDLSA-N 1 1 252.402 2.672 20 30 CFEDMO COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1ccncc1F ZINC000338364091 383005782 /nfs/dbraw/zinc/00/57/82/383005782.db2.gz AHIJQCRSFPVJGF-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCC[C@H]1O ZINC000245557115 383006445 /nfs/dbraw/zinc/00/64/45/383006445.db2.gz UVAKUTLFJRCOIS-HZPDHXFCSA-N 1 1 258.365 2.541 20 30 CFEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1c(C#N)cccc1C#N ZINC000447815863 383011436 /nfs/dbraw/zinc/01/14/36/383011436.db2.gz GQRGPTFXLVIJGX-OAHLLOKOSA-N 1 1 282.391 2.962 20 30 CFEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1COC(=O)NCC ZINC000495678777 383012318 /nfs/dbraw/zinc/01/23/18/383012318.db2.gz CNQPKOYUODWNMN-ZDUSSCGKSA-N 1 1 254.374 2.553 20 30 CFEDMO C[N@@H+]1CC[C@@H](NCc2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000245617750 383015037 /nfs/dbraw/zinc/01/50/37/383015037.db2.gz DIDDEHHZFLFIHV-IAGOWNOFSA-N 1 1 281.359 2.686 20 30 CFEDMO C[N@H+]1CC[C@@H](NCc2ccc(C#N)o2)[C@H]1c1ccccc1 ZINC000245617750 383015042 /nfs/dbraw/zinc/01/50/42/383015042.db2.gz DIDDEHHZFLFIHV-IAGOWNOFSA-N 1 1 281.359 2.686 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000541393235 382965631 /nfs/dbraw/zinc/96/56/31/382965631.db2.gz MBPJUYSRNVXLQA-GOSISDBHSA-N 1 1 298.430 2.985 20 30 CFEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCCC(C)(C)C#N ZINC000443334029 382966179 /nfs/dbraw/zinc/96/61/79/382966179.db2.gz PPQOJOUPPWKRCP-HZSPNIEDSA-N 1 1 252.402 2.798 20 30 CFEDMO C[C@H](C#N)C[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000542692319 382968705 /nfs/dbraw/zinc/96/87/05/382968705.db2.gz GMHVNNHWELCAKL-CYBMUJFWSA-N 1 1 251.333 2.998 20 30 CFEDMO Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccc(CC#N)cc3)C2)cn1 ZINC000542278091 382968843 /nfs/dbraw/zinc/96/88/43/382968843.db2.gz IHAYGSBRSRZQJU-KRWDZBQOSA-N 1 1 294.402 2.551 20 30 CFEDMO CC[C@@]1(O)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000495189294 382969120 /nfs/dbraw/zinc/96/91/20/382969120.db2.gz GRFQHTBFEYYOII-OAHLLOKOSA-N 1 1 263.768 2.538 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495870042 383037508 /nfs/dbraw/zinc/03/75/08/383037508.db2.gz AYFDNYLMYWVCLV-KGLIPLIRSA-N 1 1 295.427 2.915 20 30 CFEDMO C[C@H](C#N)C[N@@H+](C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495874214 383038269 /nfs/dbraw/zinc/03/82/69/383038269.db2.gz LFBBAMASOMJGSK-KGLIPLIRSA-N 1 1 295.427 2.725 20 30 CFEDMO Cc1nc(N2CC[NH+](Cc3ccsc3)CC2)ccc1C#N ZINC000579663829 383040315 /nfs/dbraw/zinc/04/03/15/383040315.db2.gz YLPKZSILALHGMD-UHFFFAOYSA-N 1 1 298.415 2.645 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000245877723 383042915 /nfs/dbraw/zinc/04/29/15/383042915.db2.gz ZNJWHEUCOHECML-BZUAXINKSA-N 1 1 291.439 2.649 20 30 CFEDMO Fc1ccc(C#CC[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000245915793 383047734 /nfs/dbraw/zinc/04/77/34/383047734.db2.gz FMUKVYAOGITVFW-DOTOQJQBSA-N 1 1 273.351 2.678 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@H]1CCCC[C@H]1O ZINC000245918293 383048192 /nfs/dbraw/zinc/04/81/92/383048192.db2.gz GQXSDWSECZJQJK-BXUZGUMPSA-N 1 1 264.394 2.603 20 30 CFEDMO C=CC(C)(C)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000448593435 383080863 /nfs/dbraw/zinc/08/08/63/383080863.db2.gz ZZVXBCFRJWVATD-CYBMUJFWSA-N 1 1 252.402 2.579 20 30 CFEDMO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423221117 383052229 /nfs/dbraw/zinc/05/22/29/383052229.db2.gz WGWQPMMDSRDWTG-HUBLWGQQSA-N 1 1 275.371 2.736 20 30 CFEDMO C[C@@H](NCC[N@@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000246028120 383059319 /nfs/dbraw/zinc/05/93/19/383059319.db2.gz LKZGKMCDNOWULW-LSDHHAIUSA-N 1 1 271.408 2.941 20 30 CFEDMO C[C@@H](NCC[N@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000246028120 383059322 /nfs/dbraw/zinc/05/93/22/383059322.db2.gz LKZGKMCDNOWULW-LSDHHAIUSA-N 1 1 271.408 2.941 20 30 CFEDMO C=CCCCCCNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000579849908 383060455 /nfs/dbraw/zinc/06/04/55/383060455.db2.gz GPFBSQNADLBZEY-HNNXBMFYSA-N 1 1 281.444 2.714 20 30 CFEDMO COc1ccc(C#N)cc1C[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000448511552 383062204 /nfs/dbraw/zinc/06/22/04/383062204.db2.gz UUXZSHPYJKROHX-XJKSGUPXSA-N 1 1 288.391 2.550 20 30 CFEDMO CC#CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000246552360 383080399 /nfs/dbraw/zinc/08/03/99/383080399.db2.gz KLKYWMLJDMSUAK-HZPDHXFCSA-N 1 1 261.340 2.737 20 30 CFEDMO C=CC[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000246344082 383073007 /nfs/dbraw/zinc/07/30/07/383073007.db2.gz MCLJXPKXPDYMEW-CABCVRRESA-N 1 1 281.444 2.618 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000246384488 383074223 /nfs/dbraw/zinc/07/42/23/383074223.db2.gz UTDRQHGPHJNYFN-KBXCAEBGSA-N 1 1 299.418 2.660 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000246384488 383074226 /nfs/dbraw/zinc/07/42/26/383074226.db2.gz UTDRQHGPHJNYFN-KBXCAEBGSA-N 1 1 299.418 2.660 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000580773600 383080702 /nfs/dbraw/zinc/08/07/02/383080702.db2.gz FKPJRWMVGJJQKN-IUODEOHRSA-N 1 1 291.782 2.797 20 30 CFEDMO COC(=O)c1cccc(C[N@@H+]2CCC(C)(C)C2)c1C#N ZINC000550008128 383019204 /nfs/dbraw/zinc/01/92/04/383019204.db2.gz DMQABZJOGTXCQB-UHFFFAOYSA-N 1 1 272.348 2.577 20 30 CFEDMO COC(=O)c1cccc(C[N@H+]2CCC(C)(C)C2)c1C#N ZINC000550008128 383019206 /nfs/dbraw/zinc/01/92/06/383019206.db2.gz DMQABZJOGTXCQB-UHFFFAOYSA-N 1 1 272.348 2.577 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000338549258 383022336 /nfs/dbraw/zinc/02/23/36/383022336.db2.gz PEANBBZKXWIWAZ-CQSZACIVSA-N 1 1 273.380 2.617 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000246908603 383119377 /nfs/dbraw/zinc/11/93/77/383119377.db2.gz FEBMSDAVNDVOPU-DLBZAZTESA-N 1 1 259.393 2.878 20 30 CFEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000246905267 383119496 /nfs/dbraw/zinc/11/94/96/383119496.db2.gz RSIQMRWTYPTHCQ-ZBFHGGJFSA-N 1 1 268.364 2.616 20 30 CFEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000246905267 383119500 /nfs/dbraw/zinc/11/95/00/383119500.db2.gz RSIQMRWTYPTHCQ-ZBFHGGJFSA-N 1 1 268.364 2.616 20 30 CFEDMO CCCC[N@@H+](C)CC1CCN(C(=O)[C@]2(C#N)C[C@@H]2C)CC1 ZINC000448974033 383120361 /nfs/dbraw/zinc/12/03/61/383120361.db2.gz IGUPPYRVFIVZBM-YOEHRIQHSA-N 1 1 291.439 2.507 20 30 CFEDMO C=CCC1(C(=O)NCC[N@H+](C)CC)CCCCC1 ZINC000448978997 383121774 /nfs/dbraw/zinc/12/17/74/383121774.db2.gz ZRGMZUMYSAXKGK-UHFFFAOYSA-N 1 1 252.402 2.581 20 30 CFEDMO CC(C)[N@H+](CCC#N)CCCNC(=O)OC(C)(C)C ZINC000496618696 383122464 /nfs/dbraw/zinc/12/24/64/383122464.db2.gz SOEBTZKWMHWFRC-UHFFFAOYSA-N 1 1 269.389 2.525 20 30 CFEDMO CCN(C)C(=O)OC[C@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000496624841 383122529 /nfs/dbraw/zinc/12/25/29/383122529.db2.gz MRWLVVCZRWESFN-CQSZACIVSA-N 1 1 293.411 2.623 20 30 CFEDMO CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CC1(C#N)CCC1 ZINC000496624841 383122531 /nfs/dbraw/zinc/12/25/31/383122531.db2.gz MRWLVVCZRWESFN-CQSZACIVSA-N 1 1 293.411 2.623 20 30 CFEDMO CN(CCC[N@@H+](C)CCCCC#N)C(=O)OC(C)(C)C ZINC000497016727 383128998 /nfs/dbraw/zinc/12/89/98/383128998.db2.gz MMDVNVHAKVBCRB-UHFFFAOYSA-N 1 1 283.416 2.869 20 30 CFEDMO COc1nccnc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000449013509 383132942 /nfs/dbraw/zinc/13/29/42/383132942.db2.gz LGFYZXIHDAHFBZ-UHFFFAOYSA-N 1 1 296.374 2.767 20 30 CFEDMO COc1nccnc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000449013509 383132944 /nfs/dbraw/zinc/13/29/44/383132944.db2.gz LGFYZXIHDAHFBZ-UHFFFAOYSA-N 1 1 296.374 2.767 20 30 CFEDMO N#C[C@@H]1CC[C@H]([NH2+][C@H]2COc3cc(F)cc(F)c32)C1 ZINC000619673723 383146668 /nfs/dbraw/zinc/14/66/68/383146668.db2.gz BLCOONXNHMTBRU-QRTLGDNMSA-N 1 1 264.275 2.680 20 30 CFEDMO CC[C@](C)(C#N)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000507500540 383146768 /nfs/dbraw/zinc/14/67/68/383146768.db2.gz JFKVAEKEUJZQRC-UWWQBHOKSA-N 1 1 299.418 2.878 20 30 CFEDMO COCC[N@@H+](CCC#N)C[C@H]1C(C)=CCC[C@@H]1C ZINC000615504233 383139776 /nfs/dbraw/zinc/13/97/76/383139776.db2.gz UAUYXIAVALCRJZ-GJZGRUSLSA-N 1 1 250.386 2.841 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000580771485 383080963 /nfs/dbraw/zinc/08/09/63/383080963.db2.gz KDMXZRIBLRBTDK-SFHVURJKSA-N 1 1 262.356 2.923 20 30 CFEDMO C[C@@H]1[C@H](NC[C@H](C#N)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000580948235 383082000 /nfs/dbraw/zinc/08/20/00/383082000.db2.gz LVFBDIBELJZZQB-BPQIPLTHSA-N 1 1 296.418 2.683 20 30 CFEDMO C[C@@H]1[C@H]([NH2+]C[C@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000580948235 383082007 /nfs/dbraw/zinc/08/20/07/383082007.db2.gz LVFBDIBELJZZQB-BPQIPLTHSA-N 1 1 296.418 2.683 20 30 CFEDMO C[C@@H]1[C@@H](NC[C@H](C#N)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000580948237 383082351 /nfs/dbraw/zinc/08/23/51/383082351.db2.gz LVFBDIBELJZZQB-NJAFHUGGSA-N 1 1 296.418 2.683 20 30 CFEDMO C[C@@H]1[C@@H]([NH2+]C[C@H](C#N)CCC#N)CCN1Cc1ccccc1 ZINC000580948237 383082355 /nfs/dbraw/zinc/08/23/55/383082355.db2.gz LVFBDIBELJZZQB-NJAFHUGGSA-N 1 1 296.418 2.683 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000496295416 383084446 /nfs/dbraw/zinc/08/44/46/383084446.db2.gz RGDQJJKHTJFKEZ-CHWSQXEVSA-N 1 1 266.385 2.504 20 30 CFEDMO Cc1noc([C@H](C)[N@H+](C)CCCC(C)(C)C#N)n1 ZINC000582367819 383087228 /nfs/dbraw/zinc/08/72/28/383087228.db2.gz FNEOTXUFUADCHH-JTQLQIEISA-N 1 1 250.346 2.701 20 30 CFEDMO Cc1noc([C@H](C)[N@@H+](C)CCCC(C)(C)C#N)n1 ZINC000582367819 383087233 /nfs/dbraw/zinc/08/72/33/383087233.db2.gz FNEOTXUFUADCHH-JTQLQIEISA-N 1 1 250.346 2.701 20 30 CFEDMO C=CCCCCC[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000496326738 383088320 /nfs/dbraw/zinc/08/83/20/383088320.db2.gz MSARFYAROQMMLB-CYBMUJFWSA-N 1 1 254.374 2.505 20 30 CFEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000246665263 383091676 /nfs/dbraw/zinc/09/16/76/383091676.db2.gz BPAWFYSZMXVOCE-ZNMIVQPWSA-N 1 1 266.429 2.777 20 30 CFEDMO C=C[C@@H](CC(=O)N1CC[N@H+](C)C[C@@H]1CC)c1ccccc1 ZINC000583773490 383092797 /nfs/dbraw/zinc/09/27/97/383092797.db2.gz ZIVYFHSAIJLKBW-RDJZCZTQSA-N 1 1 286.419 2.899 20 30 CFEDMO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1cscn1 ZINC000552911933 383093501 /nfs/dbraw/zinc/09/35/01/383093501.db2.gz UXUKVPWSCWHKIN-NSHDSACASA-N 1 1 273.361 2.744 20 30 CFEDMO C=CCC1(C(=O)NCCn2cc[nH+]c2C)CCCCC1 ZINC000448835439 383102562 /nfs/dbraw/zinc/10/25/62/383102562.db2.gz LTDOEMMSHOEWPN-UHFFFAOYSA-N 1 1 275.396 2.834 20 30 CFEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000246902523 383118941 /nfs/dbraw/zinc/11/89/41/383118941.db2.gz VQKHZOMWDBBCBW-BBRMVZONSA-N 1 1 274.339 2.698 20 30 CFEDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000339159821 383171031 /nfs/dbraw/zinc/17/10/31/383171031.db2.gz SXBLACHSTSAZRM-VYDXJSESSA-N 1 1 299.418 2.830 20 30 CFEDMO C=CCOCC[N@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000339172516 383174632 /nfs/dbraw/zinc/17/46/32/383174632.db2.gz AGJNMWMHDHKBDM-HNNXBMFYSA-N 1 1 267.319 2.899 20 30 CFEDMO C=CCOCC[N@@H+]1CC[C@@](F)(c2ccccc2F)C1 ZINC000339172516 383174636 /nfs/dbraw/zinc/17/46/36/383174636.db2.gz AGJNMWMHDHKBDM-HNNXBMFYSA-N 1 1 267.319 2.899 20 30 CFEDMO COc1ccc2c(c1)OCC[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000339175289 383176225 /nfs/dbraw/zinc/17/62/25/383176225.db2.gz QBXKDCWYOPVXCR-OCCSQVGLSA-N 1 1 272.348 2.582 20 30 CFEDMO COc1ccc2c(c1)OCC[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000339175289 383176228 /nfs/dbraw/zinc/17/62/28/383176228.db2.gz QBXKDCWYOPVXCR-OCCSQVGLSA-N 1 1 272.348 2.582 20 30 CFEDMO C=CCCCCCNC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000565169747 383176339 /nfs/dbraw/zinc/17/63/39/383176339.db2.gz DDPOFUNUXWISCJ-AWEZNQCLSA-N 1 1 279.428 2.516 20 30 CFEDMO CC[N@@H+](Cc1cc2ccccc2n(C)c1=O)C[C@@H](C)C#N ZINC000565163096 383176962 /nfs/dbraw/zinc/17/69/62/383176962.db2.gz JOIFFJHXYSSFNR-ZDUSSCGKSA-N 1 1 283.375 2.520 20 30 CFEDMO CC[N@H+](Cc1cc2ccccc2n(C)c1=O)C[C@@H](C)C#N ZINC000565163096 383176968 /nfs/dbraw/zinc/17/69/68/383176968.db2.gz JOIFFJHXYSSFNR-ZDUSSCGKSA-N 1 1 283.375 2.520 20 30 CFEDMO C=CC[NH+](CC=C)[C@H](CNCc1conc1C)C(C)C ZINC000339180661 383178388 /nfs/dbraw/zinc/17/83/88/383178388.db2.gz BSTVQBYCNZWUPM-MRXNPFEDSA-N 1 1 277.412 2.771 20 30 CFEDMO Cc1nc(C[NH2+][C@@H]2CC[C@H](C#N)C2)nc2ccccc12 ZINC000565401100 383178843 /nfs/dbraw/zinc/17/88/43/383178843.db2.gz KQYRVQYROSLPBF-QWHCGFSZSA-N 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C[N@@H+](CCc1ccccn1)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000515063779 383157904 /nfs/dbraw/zinc/15/79/04/383157904.db2.gz ZSKMFUQFZUHYLK-UHFFFAOYSA-N 1 1 296.330 2.536 20 30 CFEDMO C=CCCCC[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000515985561 383161310 /nfs/dbraw/zinc/16/13/10/383161310.db2.gz QZUTWZBRZQFDJL-UHFFFAOYSA-N 1 1 252.402 2.533 20 30 CFEDMO C=CCOCC[N@@H+]1[C@@H](C(=O)OC)CC[C@@H]1c1ccccc1 ZINC000339138233 383162420 /nfs/dbraw/zinc/16/24/20/383162420.db2.gz ZBRZSPILLCWYJJ-HZPDHXFCSA-N 1 1 289.375 2.568 20 30 CFEDMO C=CCOCC[N@H+]1[C@@H](C(=O)OC)CC[C@@H]1c1ccccc1 ZINC000339138233 383162423 /nfs/dbraw/zinc/16/24/23/383162423.db2.gz ZBRZSPILLCWYJJ-HZPDHXFCSA-N 1 1 289.375 2.568 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000562828793 383162678 /nfs/dbraw/zinc/16/26/78/383162678.db2.gz OSWWAWQOSITXLK-WMLDXEAASA-N 1 1 278.359 2.969 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000247337917 383164744 /nfs/dbraw/zinc/16/47/44/383164744.db2.gz 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CC#CC[N@@H+]1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000566828373 383215329 /nfs/dbraw/zinc/21/53/29/383215329.db2.gz NELWPPLKBLKRBL-INIZCTEOSA-N 1 1 257.377 2.973 20 30 CFEDMO CCc1ccc([C@@H](CO)[NH2+]Cc2ccccc2C#N)cc1 ZINC000339499348 383217117 /nfs/dbraw/zinc/21/71/17/383217117.db2.gz FNHYRMIOOKACLA-GOSISDBHSA-N 1 1 280.371 2.944 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000248249925 383221583 /nfs/dbraw/zinc/22/15/83/383221583.db2.gz RYVDQWXIASLEOW-KBPBESRZSA-N 1 1 252.402 2.579 20 30 CFEDMO CC1(C#N)CCC([NH2+]Cc2ncn(-c3ccccc3)n2)CC1 ZINC000449342957 383229227 /nfs/dbraw/zinc/22/92/27/383229227.db2.gz GQTIVLQFJWXVHA-UHFFFAOYSA-N 1 1 295.390 2.829 20 30 CFEDMO C=C(CC)CNC(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000458720078 383235831 /nfs/dbraw/zinc/23/58/31/383235831.db2.gz WBGJZAVBMRJMNT-UHFFFAOYSA-N 1 1 295.349 2.526 20 30 CFEDMO CC#CCCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248401266 383236691 /nfs/dbraw/zinc/23/66/91/383236691.db2.gz ZFTXDSYLCKJDJU-SJORKVTESA-N 1 1 262.441 2.986 20 30 CFEDMO CC#CCCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248401266 383236697 /nfs/dbraw/zinc/23/66/97/383236697.db2.gz ZFTXDSYLCKJDJU-SJORKVTESA-N 1 1 262.441 2.986 20 30 CFEDMO CCCNC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000249393497 383343928 /nfs/dbraw/zinc/34/39/28/383343928.db2.gz SFTVMKLEWIFNQZ-RHSMWYFYSA-N 1 1 299.418 2.857 20 30 CFEDMO C=CCCN(C)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000467009280 383349686 /nfs/dbraw/zinc/34/96/86/383349686.db2.gz MPAMKCGTTUEPRE-OAHLLOKOSA-N 1 1 281.444 2.859 20 30 CFEDMO C=CCCCCCN(C)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000466780240 383344169 /nfs/dbraw/zinc/34/41/69/383344169.db2.gz TYUWQPOTAKDUPO-GDBMZVCRSA-N 1 1 293.455 2.857 20 30 CFEDMO C[C@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1C ZINC000459370242 383286722 /nfs/dbraw/zinc/28/67/22/383286722.db2.gz XKVKUNJCWYHWPJ-QWRGUYRKSA-N 1 1 259.309 2.697 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@H]1C ZINC000459370242 383286726 /nfs/dbraw/zinc/28/67/26/383286726.db2.gz XKVKUNJCWYHWPJ-QWRGUYRKSA-N 1 1 259.309 2.697 20 30 CFEDMO CC[C@H](C)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248743100 383287366 /nfs/dbraw/zinc/28/73/66/383287366.db2.gz MNMPUTMESHMXAH-BBRMVZONSA-N 1 1 285.391 2.784 20 30 CFEDMO Cn1cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1C#N ZINC000248813249 383293002 /nfs/dbraw/zinc/29/30/02/383293002.db2.gz DCAZLEBQKZFRED-GDBMZVCRSA-N 1 1 299.374 2.578 20 30 CFEDMO CC(C)[C@]1(CO)CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000339707869 383294010 /nfs/dbraw/zinc/29/40/10/383294010.db2.gz BVZQGJYUCWASIX-OAHLLOKOSA-N 1 1 252.402 2.657 20 30 CFEDMO C=CCCCCC[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000248823856 383294153 /nfs/dbraw/zinc/29/41/53/383294153.db2.gz YZLXSDOABHHNBE-ZIAGYGMSSA-N 1 1 255.427 2.939 20 30 CFEDMO CC#CC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000339755020 383306337 /nfs/dbraw/zinc/30/63/37/383306337.db2.gz CQLXFGQRXHEOGO-UONOGXRCSA-N 1 1 298.386 2.954 20 30 CFEDMO CC#CC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000339755020 383306340 /nfs/dbraw/zinc/30/63/40/383306340.db2.gz CQLXFGQRXHEOGO-UONOGXRCSA-N 1 1 298.386 2.954 20 30 CFEDMO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1C#N ZINC000449465226 383308984 /nfs/dbraw/zinc/30/89/84/383308984.db2.gz BTZGJYKUIGRXTI-KZNAEPCWSA-N 1 1 284.403 2.992 20 30 CFEDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)c2nccn21 ZINC000567856294 383322440 /nfs/dbraw/zinc/32/24/40/383322440.db2.gz GWYRVLNDHRQCIF-SWLSCSKDSA-N 1 1 266.348 2.745 20 30 CFEDMO CCN(C[C@H](C)C#N)C[C@@H]1CCCC[N@H+]1C(C)C ZINC000450325110 383389922 /nfs/dbraw/zinc/38/99/22/383389922.db2.gz BTSHFSWELSELMH-CABCVRRESA-N 1 1 251.418 2.731 20 30 CFEDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(CC#N)cc2)C1 ZINC000425914226 383392264 /nfs/dbraw/zinc/39/22/64/383392264.db2.gz GSMJVWVEHDRXJT-WMLDXEAASA-N 1 1 272.392 2.736 20 30 CFEDMO C=CCOc1ccc(CNCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000525288326 383400866 /nfs/dbraw/zinc/40/08/66/383400866.db2.gz VAWZITXFAXAWIP-HNNXBMFYSA-N 1 1 274.408 2.683 20 30 CFEDMO C=CCOc1ccc(CNCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000525288326 383400868 /nfs/dbraw/zinc/40/08/68/383400868.db2.gz VAWZITXFAXAWIP-HNNXBMFYSA-N 1 1 274.408 2.683 20 30 CFEDMO Cn1ccnc1[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000568583645 383415899 /nfs/dbraw/zinc/41/58/99/383415899.db2.gz CCWMBRJSWNWUCY-HNNXBMFYSA-N 1 1 299.805 2.915 20 30 CFEDMO N#CCCN(C(=O)C[N@H+]1CC[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000426465798 383401586 /nfs/dbraw/zinc/40/15/86/383401586.db2.gz CFKRUQAFMFHRHR-DOTOQJQBSA-N 1 1 297.402 2.808 20 30 CFEDMO C=CCC1(C(=O)NCC2=CC[N@@H+](C)CC2)CCCCC1 ZINC000450422472 383403167 /nfs/dbraw/zinc/40/31/67/383403167.db2.gz VCFMVPPTHBZYMH-UHFFFAOYSA-N 1 1 276.424 2.891 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000467293265 383352912 /nfs/dbraw/zinc/35/29/12/383352912.db2.gz IXLANULGFVWQAK-IILDEKEXSA-N 1 1 290.451 2.968 20 30 CFEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1c(C#N)cccc1[N+](=O)[O-] ZINC000425271950 383355204 /nfs/dbraw/zinc/35/52/04/383355204.db2.gz VVFZVSJYZVFBMZ-GFCCVEGCSA-N 1 1 290.367 2.999 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449664308 383359453 /nfs/dbraw/zinc/35/94/53/383359453.db2.gz BGIVNSVBOMTEIK-WDEREUQCSA-N 1 1 278.318 2.561 20 30 CFEDMO C=CCC1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000449750801 383362996 /nfs/dbraw/zinc/36/29/96/383362996.db2.gz WQUFLBHDDYSSLS-HUUCEWRRSA-N 1 1 276.424 2.866 20 30 CFEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)CCCC1 ZINC000449864595 383368832 /nfs/dbraw/zinc/36/88/32/383368832.db2.gz PMGINTZUTHQXDH-OAHLLOKOSA-N 1 1 276.424 2.818 20 30 CFEDMO CC[C@H](CC#N)[NH2+]CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000568181404 383369537 /nfs/dbraw/zinc/36/95/37/383369537.db2.gz RVAVQPHBZANUGR-SHARSMKWSA-N 1 1 291.439 2.838 20 30 CFEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000449941110 383372873 /nfs/dbraw/zinc/37/28/73/383372873.db2.gz OSIKCTZRJBYPCC-ZIAGYGMSSA-N 1 1 264.413 2.722 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000340192839 383377028 /nfs/dbraw/zinc/37/70/28/383377028.db2.gz QGCLAJYDDCJKPF-KBPBESRZSA-N 1 1 298.308 2.836 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@H](O)C(F)(F)F)c1 ZINC000340192839 383377030 /nfs/dbraw/zinc/37/70/30/383377030.db2.gz QGCLAJYDDCJKPF-KBPBESRZSA-N 1 1 298.308 2.836 20 30 CFEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCCC1 ZINC000450097541 383381074 /nfs/dbraw/zinc/38/10/74/383381074.db2.gz PHSBRXCYESHYGM-LSDHHAIUSA-N 1 1 278.440 2.968 20 30 CFEDMO N#C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)C1 ZINC000425504125 383381867 /nfs/dbraw/zinc/38/18/67/383381867.db2.gz VBZFJSNAWAGDRD-INDMIFKZSA-N 1 1 295.430 2.885 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425554656 383384636 /nfs/dbraw/zinc/38/46/36/383384636.db2.gz PAQMSAZEOBKTAC-CVEARBPZSA-N 1 1 279.424 2.595 20 30 CFEDMO CCCCC[N@H+](CCO)Cc1cccc(F)c1C#N ZINC000428215046 383426982 /nfs/dbraw/zinc/42/69/82/383426982.db2.gz IMUTVGWKEXNSLI-UHFFFAOYSA-N 1 1 264.344 2.682 20 30 CFEDMO CCCCC[N@@H+](CCO)Cc1cccc(F)c1C#N ZINC000428215046 383426987 /nfs/dbraw/zinc/42/69/87/383426987.db2.gz IMUTVGWKEXNSLI-UHFFFAOYSA-N 1 1 264.344 2.682 20 30 CFEDMO CC(C)([NH2+]CC1(C#N)CCC1)C(=O)NCC1CCCCC1 ZINC000450657301 383480958 /nfs/dbraw/zinc/48/09/58/383480958.db2.gz LEWWFUODUNDZIW-UHFFFAOYSA-N 1 1 291.439 2.745 20 30 CFEDMO CCOC[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428230690 383431258 /nfs/dbraw/zinc/43/12/58/383431258.db2.gz SCFLQBZMRFFNEA-ZDUSSCGKSA-N 1 1 276.355 2.946 20 30 CFEDMO CCOC[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428230690 383431262 /nfs/dbraw/zinc/43/12/62/383431262.db2.gz SCFLQBZMRFFNEA-ZDUSSCGKSA-N 1 1 276.355 2.946 20 30 CFEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC2(C#N)CCC2)C12CCC2 ZINC000450493673 383436618 /nfs/dbraw/zinc/43/66/18/383436618.db2.gz FNLKKLAMJMRTIS-ZIAGYGMSSA-N 1 1 262.397 2.960 20 30 CFEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000450675145 383481394 /nfs/dbraw/zinc/48/13/94/383481394.db2.gz OHIPSDRLQNARJH-LLVKDONJSA-N 1 1 259.309 2.939 20 30 CFEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)CC1(C#N)CCC1 ZINC000450499118 383438891 /nfs/dbraw/zinc/43/88/91/383438891.db2.gz JXVRMFBEHQPPQY-ZDUSSCGKSA-N 1 1 258.365 2.949 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253098917 383445624 /nfs/dbraw/zinc/44/56/24/383445624.db2.gz UJYOGHJKBWPIEZ-BFHYXJOUSA-N 1 1 250.386 2.552 20 30 CFEDMO C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450515577 383445715 /nfs/dbraw/zinc/44/57/15/383445715.db2.gz IMKNWPDBAQEQIF-KBPBESRZSA-N 1 1 278.440 2.968 20 30 CFEDMO C[N@H+](Cc1cccc(F)c1C#N)C[C@@H]1CCCC[C@H]1O ZINC000428317542 383450550 /nfs/dbraw/zinc/45/05/50/383450550.db2.gz CUVRBWGSZVDHQU-XJKSGUPXSA-N 1 1 276.355 2.680 20 30 CFEDMO C[N@@H+](CC1CC1)C[C@H]1CCN(CC#Cc2ccccc2)C1 ZINC000483964994 383453337 /nfs/dbraw/zinc/45/33/37/383453337.db2.gz LXSFHEVOYYAYKS-LJQANCHMSA-N 1 1 282.431 2.702 20 30 CFEDMO C=CC[N@H+](CCOC)CCOc1cccc(CC)c1 ZINC000484559626 383457479 /nfs/dbraw/zinc/45/74/79/383457479.db2.gz VNJQJQKOONBFDC-UHFFFAOYSA-N 1 1 263.381 2.762 20 30 CFEDMO C=CC[N@H+](C)Cc1ccc(OC)c2oc(C(=O)OC)cc21 ZINC000428371439 383459992 /nfs/dbraw/zinc/45/99/92/383459992.db2.gz FEZISBNWYBIAAU-UHFFFAOYSA-N 1 1 289.331 2.846 20 30 CFEDMO Cc1ccccc1[C@H]1CCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000527377099 383469516 /nfs/dbraw/zinc/46/95/16/383469516.db2.gz ISMDSHBRZAOERB-MRXNPFEDSA-N 1 1 297.402 2.694 20 30 CFEDMO Cc1cc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1C#N ZINC000527807699 383471597 /nfs/dbraw/zinc/47/15/97/383471597.db2.gz ICQSZWGVGLPFHF-SFHVURJKSA-N 1 1 283.419 2.973 20 30 CFEDMO Cc1cc(CNC[C@@H]2CC[N@H+]2C2CCCC2)ccc1C#N ZINC000527807699 383471600 /nfs/dbraw/zinc/47/16/00/383471600.db2.gz ICQSZWGVGLPFHF-SFHVURJKSA-N 1 1 283.419 2.973 20 30 CFEDMO COC[C@@H]1CCCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428436761 383471824 /nfs/dbraw/zinc/47/18/24/383471824.db2.gz GRJUOIRDFAAOPU-CYBMUJFWSA-N 1 1 276.355 2.946 20 30 CFEDMO COC[C@H]1CCCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428436764 383472560 /nfs/dbraw/zinc/47/25/60/383472560.db2.gz GRJUOIRDFAAOPU-ZDUSSCGKSA-N 1 1 276.355 2.946 20 30 CFEDMO Cc1ccc2nc(C[NH2+]Cc3ccc(C#N)cc3)cn2c1 ZINC000341054612 383546426 /nfs/dbraw/zinc/54/64/26/383546426.db2.gz USOIALOCZDQEAK-UHFFFAOYSA-N 1 1 276.343 2.804 20 30 CFEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)cc1 ZINC000569889744 383547279 /nfs/dbraw/zinc/54/72/79/383547279.db2.gz YIIBBPNSQZWZQD-FZNQNYSPSA-N 1 1 261.365 2.861 20 30 CFEDMO C=CCC1(C(=O)NCc2c[nH+]c3n2CCCC3)CCCC1 ZINC000569316037 383487152 /nfs/dbraw/zinc/48/71/52/383487152.db2.gz KNGIFFNJXQXZNI-UHFFFAOYSA-N 1 1 287.407 2.972 20 30 CFEDMO Cc1c(C#N)c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc2ccccc12 ZINC000569917523 383549880 /nfs/dbraw/zinc/54/98/80/383549880.db2.gz BFQDJJKQDGMWIZ-TZMCWYRMSA-N 1 1 294.402 2.731 20 30 CFEDMO C[C@@]12CC[N@@H+](CCCSCC#N)C[C@@H]1C2(F)F ZINC000428724152 383498603 /nfs/dbraw/zinc/49/86/03/383498603.db2.gz PCBXURYXZVYZNM-WDEREUQCSA-N 1 1 260.353 2.610 20 30 CFEDMO Cc1cccc(C[N@H+](C)[C@H](C)C(=O)NC2(C#N)CCC2)c1C ZINC000428727397 383498685 /nfs/dbraw/zinc/49/86/85/383498685.db2.gz CBDPPLIWRYWJHD-OAHLLOKOSA-N 1 1 299.418 2.686 20 30 CFEDMO C=CCNC(=O)C[N@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000428841923 383499275 /nfs/dbraw/zinc/49/92/75/383499275.db2.gz RCEBGONMTIRSCX-CQSZACIVSA-N 1 1 260.381 2.760 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000428797465 383499543 /nfs/dbraw/zinc/49/95/43/383499543.db2.gz QHSWKZLXCGHDHW-QGZVFWFLSA-N 1 1 273.376 2.769 20 30 CFEDMO C=CCC(CC=C)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000428892390 383501178 /nfs/dbraw/zinc/50/11/78/383501178.db2.gz NCEULCOASDVGAG-UHFFFAOYSA-N 1 1 270.376 2.891 20 30 CFEDMO CCCc1nc(C)c(C[NH+]2CCC(C#N)(COC)CC2)o1 ZINC000428980520 383502710 /nfs/dbraw/zinc/50/27/10/383502710.db2.gz VGGUTXDXSULLRC-UHFFFAOYSA-N 1 1 291.395 2.688 20 30 CFEDMO CC#CCC[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488179704 383503053 /nfs/dbraw/zinc/50/30/53/383503053.db2.gz QSZQMWRVPWGVGD-UHFFFAOYSA-N 1 1 296.208 2.657 20 30 CFEDMO CC(C)[C@H]1CN([C@@H](C)c2ccc(C#N)cc2)CC[N@H+]1C ZINC000488205130 383506083 /nfs/dbraw/zinc/50/60/83/383506083.db2.gz UDMQISSEGPZKRM-WMLDXEAASA-N 1 1 271.408 2.891 20 30 CFEDMO CC(C)[C@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCN1C ZINC000488205130 383506085 /nfs/dbraw/zinc/50/60/85/383506085.db2.gz UDMQISSEGPZKRM-WMLDXEAASA-N 1 1 271.408 2.891 20 30 CFEDMO CC(C)[C@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCN1C ZINC000488205130 383506087 /nfs/dbraw/zinc/50/60/87/383506087.db2.gz UDMQISSEGPZKRM-WMLDXEAASA-N 1 1 271.408 2.891 20 30 CFEDMO CC(C)[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528382105 383510865 /nfs/dbraw/zinc/51/08/65/383510865.db2.gz JZNGEZSWCCJYOI-LSDHHAIUSA-N 1 1 264.413 2.799 20 30 CFEDMO Cn1cc(C[N@@H+]2CCC[C@@H](F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000569612128 383519290 /nfs/dbraw/zinc/51/92/90/383519290.db2.gz TUARUQCLTFFWAQ-MRXNPFEDSA-N 1 1 298.365 2.893 20 30 CFEDMO Cn1cc(C[N@H+]2CCC[C@@H](F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000569612128 383519297 /nfs/dbraw/zinc/51/92/97/383519297.db2.gz TUARUQCLTFFWAQ-MRXNPFEDSA-N 1 1 298.365 2.893 20 30 CFEDMO Cc1cc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)ccc1C#N ZINC000488329806 383521822 /nfs/dbraw/zinc/52/18/22/383521822.db2.gz PFHPEHOQWVQUNE-DLBZAZTESA-N 1 1 272.392 2.850 20 30 CFEDMO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1CCC(C)(C)C#N ZINC000429364749 383524751 /nfs/dbraw/zinc/52/47/51/383524751.db2.gz SVMVIAJQUQKPFU-OKILXGFUSA-N 1 1 293.455 2.894 20 30 CFEDMO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1CCC(C)(C)C#N ZINC000429364749 383524754 /nfs/dbraw/zinc/52/47/54/383524754.db2.gz SVMVIAJQUQKPFU-OKILXGFUSA-N 1 1 293.455 2.894 20 30 CFEDMO CC(C)(C)C1=CC[N@@H+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528419030 383527868 /nfs/dbraw/zinc/52/78/68/383527868.db2.gz AQGJSEWPZKHSQM-CQSZACIVSA-N 1 1 262.397 2.719 20 30 CFEDMO CC(C)(C)C1=CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528419029 383528631 /nfs/dbraw/zinc/52/86/31/383528631.db2.gz AQGJSEWPZKHSQM-AWEZNQCLSA-N 1 1 262.397 2.719 20 30 CFEDMO Cc1cc(C[N@@H+](CCCCO)C2CC2)ccc1C#N ZINC000488448013 383542279 /nfs/dbraw/zinc/54/22/79/383542279.db2.gz LFXWASXQKGMLJY-UHFFFAOYSA-N 1 1 258.365 2.604 20 30 CFEDMO C=CCCCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000569865581 383544235 /nfs/dbraw/zinc/54/42/35/383544235.db2.gz ZTEKFSFFKJLRHM-CVEARBPZSA-N 1 1 293.455 2.859 20 30 CFEDMO C=CCCCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000569865582 383544518 /nfs/dbraw/zinc/54/45/18/383544518.db2.gz ZTEKFSFFKJLRHM-HOTGVXAUSA-N 1 1 293.455 2.859 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]Cc1ccnn1C(C)C ZINC000280856377 195003484 /nfs/dbraw/zinc/00/34/84/195003484.db2.gz LRYGXJACCXZRHQ-UHFFFAOYSA-N 1 1 283.375 2.766 20 30 CFEDMO C[N@H+](CCOCc1ccc(C#N)cc1)CC1(C#N)CCC1 ZINC000451037872 383580931 /nfs/dbraw/zinc/58/09/31/383580931.db2.gz QZNAEKGBWWRUEU-UHFFFAOYSA-N 1 1 283.375 2.701 20 30 CFEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)CC1(C#N)CCC1 ZINC000451037872 383580935 /nfs/dbraw/zinc/58/09/35/383580935.db2.gz QZNAEKGBWWRUEU-UHFFFAOYSA-N 1 1 283.375 2.701 20 30 CFEDMO C=CC[N@@H+](C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430059448 383586888 /nfs/dbraw/zinc/58/68/88/383586888.db2.gz PIJBGCBUYDTHPG-UHFFFAOYSA-N 1 1 269.348 2.770 20 30 CFEDMO C=CC[N@H+](C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000430059448 383586894 /nfs/dbraw/zinc/58/68/94/383586894.db2.gz PIJBGCBUYDTHPG-UHFFFAOYSA-N 1 1 269.348 2.770 20 30 CFEDMO CC(C)(C)c1ncc2c(n1)CC[N@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000528596561 383587788 /nfs/dbraw/zinc/58/77/88/383587788.db2.gz IKPNIMVPZJPIEX-OCCSQVGLSA-N 1 1 284.407 2.824 20 30 CFEDMO CC(C)(C)c1ncc2c(n1)CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC000528596561 383587792 /nfs/dbraw/zinc/58/77/92/383587792.db2.gz IKPNIMVPZJPIEX-OCCSQVGLSA-N 1 1 284.407 2.824 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)CCCC3)C1=O ZINC000430076110 383588945 /nfs/dbraw/zinc/58/89/45/383588945.db2.gz CRQNRKYCCJSJQO-GOSISDBHSA-N 1 1 298.430 2.784 20 30 CFEDMO C=CCC[C@H]([NH2+]CC1Cc2ccccc2C1)C(=O)OCC ZINC000570275982 383589468 /nfs/dbraw/zinc/58/94/68/383589468.db2.gz WCHNEEDKVVZBGC-KRWDZBQOSA-N 1 1 287.403 2.889 20 30 CFEDMO Cc1cc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)ccc1C#N ZINC000488998151 383590192 /nfs/dbraw/zinc/59/01/92/383590192.db2.gz WFPSGXWVVJJDPN-MELADBBJSA-N 1 1 258.365 2.864 20 30 CFEDMO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000430215248 383591016 /nfs/dbraw/zinc/59/10/16/383591016.db2.gz BBLPPFWREABHIW-UHFFFAOYSA-N 1 1 289.335 2.729 20 30 CFEDMO C=C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430222908 383591427 /nfs/dbraw/zinc/59/14/27/383591427.db2.gz GVXYBQKRKKQISN-UHFFFAOYSA-N 1 1 262.309 2.755 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000528635731 383593850 /nfs/dbraw/zinc/59/38/50/383593850.db2.gz BVSLJJCGGFPIHI-HNNXBMFYSA-N 1 1 294.439 2.570 20 30 CFEDMO Cc1cc[nH+]c(N(C)CCOCc2ccc(C#N)cc2)c1 ZINC000341087955 383559396 /nfs/dbraw/zinc/55/93/96/383559396.db2.gz QIQGMTOUGANGIU-UHFFFAOYSA-N 1 1 281.359 2.915 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)Cc1nc(C2CCCC2)no1 ZINC000429715951 383562160 /nfs/dbraw/zinc/56/21/60/383562160.db2.gz OJSIFPFUSNDRLI-UHFFFAOYSA-N 1 1 292.427 2.667 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)Cc1cccc(F)c1 ZINC000429714373 383562630 /nfs/dbraw/zinc/56/26/30/383562630.db2.gz FXCJXKFYBLEALM-UHFFFAOYSA-N 1 1 250.361 2.765 20 30 CFEDMO C=CCN(C)CC[N@@H+](CC)Cc1cccc(F)c1 ZINC000429714373 383562631 /nfs/dbraw/zinc/56/26/31/383562631.db2.gz FXCJXKFYBLEALM-UHFFFAOYSA-N 1 1 250.361 2.765 20 30 CFEDMO C=CCN(C)CC[N@H+](CC)Cc1cccc(F)c1 ZINC000429714373 383562633 /nfs/dbraw/zinc/56/26/33/383562633.db2.gz FXCJXKFYBLEALM-UHFFFAOYSA-N 1 1 250.361 2.765 20 30 CFEDMO CC(C)[N@H+]1CC[C@H](N(C)c2ncc(C#N)cc2Cl)C1 ZINC000450947062 383563603 /nfs/dbraw/zinc/56/36/03/383563603.db2.gz ASYCWCSUPJWVQR-LBPRGKRZSA-N 1 1 278.787 2.526 20 30 CFEDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc(F)c(C#N)c2)C1 ZINC000429766587 383566593 /nfs/dbraw/zinc/56/65/93/383566593.db2.gz CYASCOZZZDVAPW-IUODEOHRSA-N 1 1 276.355 2.680 20 30 CFEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000429801617 383570137 /nfs/dbraw/zinc/57/01/37/383570137.db2.gz ARTIDSFQPNKICM-AWEZNQCLSA-N 1 1 266.429 2.825 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528785765 383636980 /nfs/dbraw/zinc/63/69/80/383636980.db2.gz UTVIAOWGMMPLHC-WVZRYYJFSA-N 1 1 255.427 2.717 20 30 CFEDMO C[C@@H](CCC#N)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000570683402 383625740 /nfs/dbraw/zinc/62/57/40/383625740.db2.gz UQSIRMAMQCABPI-HOCLYGCPSA-N 1 1 258.365 2.926 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000570683402 383625742 /nfs/dbraw/zinc/62/57/42/383625742.db2.gz UQSIRMAMQCABPI-HOCLYGCPSA-N 1 1 258.365 2.926 20 30 CFEDMO C=CC[C@H]1N(C(=O)C[C@H]2CC[N@H+](C)C2)CCCC1(C)C ZINC000635863102 383657472 /nfs/dbraw/zinc/65/74/72/383657472.db2.gz VBPIMAOAJYWOJN-HUUCEWRRSA-N 1 1 278.440 2.922 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1CNc1snc(C)c1C#N ZINC000570755190 383631830 /nfs/dbraw/zinc/63/18/30/383631830.db2.gz OPRAYWSSFTYFNQ-NSHDSACASA-N 1 1 264.398 2.610 20 30 CFEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1(C)C ZINC000528770313 383632669 /nfs/dbraw/zinc/63/26/69/383632669.db2.gz QEVZBDAWGWZCAI-OAHLLOKOSA-N 1 1 290.382 2.696 20 30 CFEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@@H]1C ZINC000451526335 383634646 /nfs/dbraw/zinc/63/46/46/383634646.db2.gz GSKQSMOCVTZNRY-BLLLJJGKSA-N 1 1 276.355 2.944 20 30 CFEDMO N#Cc1ccccc1OCC[N@H+]1CCSC[C@H]1C1CC1 ZINC000451650092 383675767 /nfs/dbraw/zinc/67/57/67/383675767.db2.gz ULNMSTVJDDUCIZ-HNNXBMFYSA-N 1 1 288.416 2.764 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+]2CC[C@H](c3ccc(CC)cc3)C2)C1=O ZINC000433083202 383754330 /nfs/dbraw/zinc/75/43/30/383754330.db2.gz OAWLYYYIQCSWME-ZWKOTPCHSA-N 1 1 298.430 2.825 20 30 CFEDMO Cn1cc([C@H]2C[N@@H+](Cc3ccccc3C#N)CC2(C)C)cn1 ZINC000572682167 383806606 /nfs/dbraw/zinc/80/66/06/383806606.db2.gz ABVKAIFZKGMTJF-QGZVFWFLSA-N 1 1 294.402 2.917 20 30 CFEDMO CCC[N@@H+](C)CC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000436349958 383808161 /nfs/dbraw/zinc/80/81/61/383808161.db2.gz FFCKTOAIWBNPMZ-SJORKVTESA-N 1 1 299.418 2.627 20 30 CFEDMO C=CCN1CC[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)C1=O ZINC000645978523 383809852 /nfs/dbraw/zinc/80/98/52/383809852.db2.gz UAWJRGXGJVHHNZ-CQSZACIVSA-N 1 1 290.794 2.706 20 30 CFEDMO C=CCN1CCC([NH2+]Cc2ccc(OC)cc2F)CC1 ZINC000572727838 383811483 /nfs/dbraw/zinc/81/14/83/383811483.db2.gz SFXGJXWESDOJDD-UHFFFAOYSA-N 1 1 278.371 2.574 20 30 CFEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CCCC[C@H]1O ZINC000572768510 383814838 /nfs/dbraw/zinc/81/48/38/383814838.db2.gz BWCKDVGHFLUJNV-ZIAGYGMSSA-N 1 1 252.402 2.799 20 30 CFEDMO N#CCCCC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000265024549 383818066 /nfs/dbraw/zinc/81/80/66/383818066.db2.gz JLPURJRPQMCKPG-INIZCTEOSA-N 1 1 258.365 2.662 20 30 CFEDMO C[C@@H](CCC#N)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000572488214 383786104 /nfs/dbraw/zinc/78/61/04/383786104.db2.gz KMWINYHDKRMACS-LBPRGKRZSA-N 1 1 260.337 2.582 20 30 CFEDMO C[N@H+]1CCN(CC#Cc2ccccc2Cl)CC1(C)C ZINC000572494596 383788416 /nfs/dbraw/zinc/78/84/16/383788416.db2.gz ZPDWSNUBHZJREM-UHFFFAOYSA-N 1 1 276.811 2.718 20 30 CFEDMO C[N@H+]1CCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1(C)C ZINC000572540806 383791455 /nfs/dbraw/zinc/79/14/55/383791455.db2.gz JOERXOOMVNGUEU-INIZCTEOSA-N 1 1 299.418 2.627 20 30 CFEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281011440 195068572 /nfs/dbraw/zinc/06/85/72/195068572.db2.gz NNRBPZCYKZNIBL-GOSISDBHSA-N 1 1 293.370 2.744 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281011440 195068573 /nfs/dbraw/zinc/06/85/73/195068573.db2.gz NNRBPZCYKZNIBL-GOSISDBHSA-N 1 1 293.370 2.744 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000646057125 383841249 /nfs/dbraw/zinc/84/12/49/383841249.db2.gz VULHPOYCJSWKBD-INIZCTEOSA-N 1 1 272.392 2.591 20 30 CFEDMO N#CCCC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000265259747 383876106 /nfs/dbraw/zinc/87/61/06/383876106.db2.gz VBLCBRLNKGFKBN-MRXNPFEDSA-N 1 1 258.365 2.662 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000572894172 383834954 /nfs/dbraw/zinc/83/49/54/383834954.db2.gz XLXMHDOWODWEOH-ZDUSSCGKSA-N 1 1 258.365 2.725 20 30 CFEDMO COC[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000437884906 383918107 /nfs/dbraw/zinc/91/81/07/383918107.db2.gz YZGPHJAIRSPQFX-LBPRGKRZSA-N 1 1 296.317 2.628 20 30 CFEDMO COc1cc(C[NH2+]C[C@H](C#N)CCC#N)c2ccccc2n1 ZINC000573404167 383924137 /nfs/dbraw/zinc/92/41/37/383924137.db2.gz AANSSPCOIQEQOY-ZDUSSCGKSA-N 1 1 294.358 2.777 20 30 CFEDMO C[C@H]1CC[N@H+](CC2(C#N)CC2)C[C@H]1C(=O)OC(C)(C)C ZINC000573681347 383970029 /nfs/dbraw/zinc/97/00/29/383970029.db2.gz XSXITUZGRANNNK-QWHCGFSZSA-N 1 1 278.396 2.590 20 30 CFEDMO C[C@H]1CC[N@@H+](CC2(C#N)CC2)C[C@H]1C(=O)OC(C)(C)C ZINC000573681347 383970039 /nfs/dbraw/zinc/97/00/39/383970039.db2.gz XSXITUZGRANNNK-QWHCGFSZSA-N 1 1 278.396 2.590 20 30 CFEDMO C[C@@H]1CC[N@H+](CC2(C#N)CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000573681346 383971546 /nfs/dbraw/zinc/97/15/46/383971546.db2.gz XSXITUZGRANNNK-OLZOCXBDSA-N 1 1 278.396 2.590 20 30 CFEDMO C[C@@H]1CC[N@@H+](CC2(C#N)CC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000573681346 383971553 /nfs/dbraw/zinc/97/15/53/383971553.db2.gz XSXITUZGRANNNK-OLZOCXBDSA-N 1 1 278.396 2.590 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000573905582 384009521 /nfs/dbraw/zinc/00/95/21/384009521.db2.gz IYYJBMXNGSNILZ-QGZVFWFLSA-N 1 1 263.344 2.943 20 30 CFEDMO C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)CCN1C ZINC000265988934 384046031 /nfs/dbraw/zinc/04/60/31/384046031.db2.gz IQCZZEWDWGTJFV-GOEBONIOSA-N 1 1 287.407 2.503 20 30 CFEDMO C[C@H]1C[C@H](N(C)Cc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC000265988934 384046072 /nfs/dbraw/zinc/04/60/72/384046072.db2.gz IQCZZEWDWGTJFV-GOEBONIOSA-N 1 1 287.407 2.503 20 30 CFEDMO C[C@H]1C[C@H](N(C)Cc2ccc(OCC#N)cc2)CC[N@H+]1C ZINC000265988934 384046076 /nfs/dbraw/zinc/04/60/76/384046076.db2.gz IQCZZEWDWGTJFV-GOEBONIOSA-N 1 1 287.407 2.503 20 30 CFEDMO C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC#N)cc2)CCN1C ZINC000265988936 384046246 /nfs/dbraw/zinc/04/62/46/384046246.db2.gz IQCZZEWDWGTJFV-HOCLYGCPSA-N 1 1 287.407 2.503 20 30 CFEDMO C[C@H]1C[C@@H](N(C)Cc2ccc(OCC#N)cc2)CC[N@@H+]1C ZINC000265988936 384046271 /nfs/dbraw/zinc/04/62/71/384046271.db2.gz IQCZZEWDWGTJFV-HOCLYGCPSA-N 1 1 287.407 2.503 20 30 CFEDMO C[C@H]1C[C@@H](N(C)Cc2ccc(OCC#N)cc2)CC[N@H+]1C ZINC000265988936 384046277 /nfs/dbraw/zinc/04/62/77/384046277.db2.gz IQCZZEWDWGTJFV-HOCLYGCPSA-N 1 1 287.407 2.503 20 30 CFEDMO C=CC[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000438842490 384027703 /nfs/dbraw/zinc/02/77/03/384027703.db2.gz RROVNQQRGBTNJF-CABCVRRESA-N 1 1 281.444 2.761 20 30 CFEDMO C=CCCC(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000637623581 384140662 /nfs/dbraw/zinc/14/06/62/384140662.db2.gz HXDRZWFPKRAQOZ-GJZGRUSLSA-N 1 1 295.471 2.960 20 30 CFEDMO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C#N)CC1 ZINC000266535279 384193927 /nfs/dbraw/zinc/19/39/27/384193927.db2.gz NXPSUWDJWYHRDC-NSHDSACASA-N 1 1 259.309 2.891 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1cccn(C(F)F)c1=O ZINC000637838068 384214050 /nfs/dbraw/zinc/21/40/50/384214050.db2.gz QGUUOZJJMIXQSU-UHFFFAOYSA-N 1 1 256.296 2.641 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000680819737 542368669 /nfs/dbraw/zinc/36/86/69/542368669.db2.gz AOVFRUQPKYMHTN-SWLSCSKDSA-N 1 1 276.380 2.684 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@]1(OC)CCOC1 ZINC000637966742 384314836 /nfs/dbraw/zinc/31/48/36/384314836.db2.gz VXMKQOCVQYVOAW-INIZCTEOSA-N 1 1 279.355 2.619 20 30 CFEDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000277652546 384366363 /nfs/dbraw/zinc/36/63/63/384366363.db2.gz DCFVGFVLZGIOFV-INIZCTEOSA-N 1 1 276.355 2.824 20 30 CFEDMO Cc1ccnc(NC[C@H]2CCCC[N@H+]2C2CC2)c1C#N ZINC000277524548 384327137 /nfs/dbraw/zinc/32/71/37/384327137.db2.gz VKGFYNLFCAPKAB-CQSZACIVSA-N 1 1 270.380 2.691 20 30 CFEDMO CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(OC)c(C#N)c1 ZINC000277739353 384392070 /nfs/dbraw/zinc/39/20/70/384392070.db2.gz KQOIZGAGBXOCGC-QGZVFWFLSA-N 1 1 288.391 2.694 20 30 CFEDMO CCC[C@@]1(CO)CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000277719512 384385875 /nfs/dbraw/zinc/38/58/75/384385875.db2.gz JBTCURHLRVFTAX-KRWDZBQOSA-N 1 1 288.391 2.564 20 30 CFEDMO CCN(CCC#N)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000267435869 384390952 /nfs/dbraw/zinc/39/09/52/384390952.db2.gz XSNNEHLORZMKJV-KRWDZBQOSA-N 1 1 299.418 2.661 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2c(C)oc3ccccc32)C1=O ZINC000281135020 195118430 /nfs/dbraw/zinc/11/84/30/195118430.db2.gz DHCADJPCPMEWOJ-MRXNPFEDSA-N 1 1 298.386 2.960 20 30 CFEDMO CC[N@@H+](Cc1cc(C#N)ccc1Br)C[C@@H](C)O ZINC000352218960 220299814 /nfs/dbraw/zinc/29/98/14/220299814.db2.gz ANNLSKFJKYJSQO-SNVBAGLBSA-N 1 1 297.196 2.523 20 30 CFEDMO CC[N@H+](Cc1cc(C#N)ccc1Br)C[C@@H](C)O ZINC000352218960 220299819 /nfs/dbraw/zinc/29/98/19/220299819.db2.gz ANNLSKFJKYJSQO-SNVBAGLBSA-N 1 1 297.196 2.523 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+]1Cc2ccc(OC)cc2OC(C)(C)C1 ZINC000643256636 384530117 /nfs/dbraw/zinc/53/01/17/384530117.db2.gz ODXUYNQRVJAQRN-HNNXBMFYSA-N 1 1 291.391 2.605 20 30 CFEDMO C=CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278460312 384582647 /nfs/dbraw/zinc/58/26/47/384582647.db2.gz ZUGCQJXXDYDVEU-UHFFFAOYSA-N 1 1 265.269 2.511 20 30 CFEDMO C=CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278460312 384582656 /nfs/dbraw/zinc/58/26/56/384582656.db2.gz ZUGCQJXXDYDVEU-UHFFFAOYSA-N 1 1 265.269 2.511 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)Cc1cc(=O)c(OC)co1 ZINC000268530090 384630458 /nfs/dbraw/zinc/63/04/58/384630458.db2.gz IIMCTLOMUVYAML-UHFFFAOYSA-N 1 1 299.370 2.879 20 30 CFEDMO C=CCC[C@H](C)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000680897884 542382045 /nfs/dbraw/zinc/38/20/45/542382045.db2.gz CMMYHRWYUZKMQU-AWEZNQCLSA-N 1 1 258.365 2.690 20 30 CFEDMO C=CCC[C@H](C)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000680897884 542382047 /nfs/dbraw/zinc/38/20/47/542382047.db2.gz CMMYHRWYUZKMQU-AWEZNQCLSA-N 1 1 258.365 2.690 20 30 CFEDMO 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394030276 /nfs/dbraw/zinc/03/02/76/394030276.db2.gz OLNTWQJNVZJOSB-KSSFIOAISA-N 1 1 283.419 2.867 20 30 CFEDMO C#CCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285995303 394176225 /nfs/dbraw/zinc/17/62/25/394176225.db2.gz OPVNLVBVGOVKRC-ZACQAIPSSA-N 1 1 255.361 2.514 20 30 CFEDMO N#Cc1ccc(C[N@H+](CCCCO)C2CC2)c(Cl)c1 ZINC000439452539 394115971 /nfs/dbraw/zinc/11/59/71/394115971.db2.gz NXHPRRCJGWRKTB-UHFFFAOYSA-N 1 1 278.783 2.949 20 30 CFEDMO C=CCN1CC[C@@H]([NH2+][C@@H](CC)c2cc(F)ccc2F)C1=O ZINC000282065992 394118796 /nfs/dbraw/zinc/11/87/96/394118796.db2.gz SOGKATZYPBKZRE-LSDHHAIUSA-N 1 1 294.345 2.792 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+]2CC=C(c3cccc(C)c3)CC2)C1=O ZINC000282078924 394120706 /nfs/dbraw/zinc/12/07/06/394120706.db2.gz UGYMUKPTCDLHLM-GOSISDBHSA-N 1 1 296.414 2.871 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000130908139 394121878 /nfs/dbraw/zinc/12/18/78/394121878.db2.gz DVGQPVICJZIUCZ-CYBMUJFWSA-N 1 1 295.390 2.607 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1ccc(C)s1 ZINC000359093698 394123494 /nfs/dbraw/zinc/12/34/94/394123494.db2.gz HIJITAUWUMZVNQ-CHWSQXEVSA-N 1 1 278.421 2.884 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420940487 394131889 /nfs/dbraw/zinc/13/18/89/394131889.db2.gz MWBOIRXKQHLEBN-IPYPFGDCSA-N 1 1 258.365 2.570 20 30 CFEDMO CCC[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000131394124 394132732 /nfs/dbraw/zinc/13/27/32/394132732.db2.gz SCMLMAVJDKWZTG-KRWDZBQOSA-N 1 1 288.391 2.828 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000359509480 394136038 /nfs/dbraw/zinc/13/60/38/394136038.db2.gz QRUUTXFUNFSJFI-HIFRSBDPSA-N 1 1 252.402 2.579 20 30 CFEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000359509483 394136132 /nfs/dbraw/zinc/13/61/32/394136132.db2.gz QRUUTXFUNFSJFI-ZFWWWQNUSA-N 1 1 252.402 2.579 20 30 CFEDMO CC[C@H]1C[NH+](Cc2ccc(C#N)cc2OC)C[C@H](CC)O1 ZINC000420953177 394136700 /nfs/dbraw/zinc/13/67/00/394136700.db2.gz ITZOVJBZVJBZQT-HOTGVXAUSA-N 1 1 288.391 2.956 20 30 CFEDMO CC#CCC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000360434933 394152344 /nfs/dbraw/zinc/15/23/44/394152344.db2.gz BEGNECAMZGQLAZ-UHFFFAOYSA-N 1 1 265.360 2.644 20 30 CFEDMO COC(=O)[C@H]1C[C@H](C)CC[N@H+]1CCCC(C)(C)C#N ZINC000360539851 394154011 /nfs/dbraw/zinc/15/40/11/394154011.db2.gz JXCJHXYBSNIGSV-CHWSQXEVSA-N 1 1 266.385 2.590 20 30 CFEDMO C[C@]1(CNC(=O)CCCC#N)CCC[N@H+]1Cc1ccccc1 ZINC000360653841 394156734 /nfs/dbraw/zinc/15/67/34/394156734.db2.gz RLGRQLDUMRUBLM-GOSISDBHSA-N 1 1 299.418 2.851 20 30 CFEDMO COc1ccc(C[N@H+]2CCC[C@@H](CCO)CC2)cc1C#N ZINC000421017490 394158766 /nfs/dbraw/zinc/15/87/66/394158766.db2.gz NIJXIIYYJXCIFN-CQSZACIVSA-N 1 1 288.391 2.551 20 30 CFEDMO CCC[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000133238098 394171529 /nfs/dbraw/zinc/17/15/29/394171529.db2.gz KSRKCJZXINLTDV-UHFFFAOYSA-N 1 1 254.337 2.580 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000286965704 394201087 /nfs/dbraw/zinc/20/10/87/394201087.db2.gz NPGZPATZGNHRAS-DGCLKSJQSA-N 1 1 278.421 2.822 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000286965704 394201091 /nfs/dbraw/zinc/20/10/91/394201091.db2.gz NPGZPATZGNHRAS-DGCLKSJQSA-N 1 1 278.421 2.822 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287269437 394203555 /nfs/dbraw/zinc/20/35/55/394203555.db2.gz HQJHZIUPWUSPOO-PBHICJAKSA-N 1 1 297.402 2.564 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)s1 ZINC000421392109 394218514 /nfs/dbraw/zinc/21/85/14/394218514.db2.gz BPPHIDUJEGNAEC-LBPRGKRZSA-N 1 1 264.394 2.604 20 30 CFEDMO Cc1ccc(C#N)cc1NC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000289784022 394221734 /nfs/dbraw/zinc/22/17/34/394221734.db2.gz KSEVAELYSWQZQJ-CYBMUJFWSA-N 1 1 288.395 2.717 20 30 CFEDMO CCC[N@H+]1CCCN(Cc2ccc(C#N)c(F)c2)CC1 ZINC000365232488 394229653 /nfs/dbraw/zinc/22/96/53/394229653.db2.gz DQBPDPHYZJFVNR-UHFFFAOYSA-N 1 1 275.371 2.615 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000366178478 394240543 /nfs/dbraw/zinc/24/05/43/394240543.db2.gz LOUNTAVRKGDADC-AEFFLSMTSA-N 1 1 297.402 2.615 20 30 CFEDMO Fc1ccc(C#CC[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000366948864 394249347 /nfs/dbraw/zinc/24/93/47/394249347.db2.gz ZQRRDUCBAFINRJ-KRWDZBQOSA-N 1 1 273.351 2.680 20 30 CFEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NCc1ccc(C#N)c(F)c1 ZINC000421320766 394186935 /nfs/dbraw/zinc/18/69/35/394186935.db2.gz COCZCNYZVULRFY-ZIAGYGMSSA-N 1 1 289.398 2.907 20 30 CFEDMO C[C@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421320766 394186939 /nfs/dbraw/zinc/18/69/39/394186939.db2.gz COCZCNYZVULRFY-ZIAGYGMSSA-N 1 1 289.398 2.907 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCCO[C@H]3CCC[C@H]32)cc1 ZINC000363410090 394195925 /nfs/dbraw/zinc/19/59/25/394195925.db2.gz CCDRUSKSXQBOOS-CVEARBPZSA-N 1 1 256.349 2.702 20 30 CFEDMO CC[C@@H]([NH2+][C@H](CN)CC(C)C)c1ccc(C#N)cc1 ZINC000423263512 394275129 /nfs/dbraw/zinc/27/51/29/394275129.db2.gz OPUHIHOPHPLKGW-JKSUJKDBSA-N 1 1 259.397 2.972 20 30 CFEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NCC(F)(F)C[NH3+] ZINC000423350029 394278062 /nfs/dbraw/zinc/27/80/62/394278062.db2.gz YKDBVOJIMUVKIQ-AWEZNQCLSA-N 1 1 279.334 2.509 20 30 CFEDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc(C#N)cc2)C1 ZINC000493567009 394280136 /nfs/dbraw/zinc/28/01/36/394280136.db2.gz ZGDAYAVZBJYFAW-JJEJIETFSA-N 1 1 297.402 2.513 20 30 CFEDMO N#Cc1ccc2c(c1)[C@H](N[C@@H](C[NH3+])C1CCCC1)CC2 ZINC000423513683 394287134 /nfs/dbraw/zinc/28/71/34/394287134.db2.gz VPXMGFNATOUREF-SJORKVTESA-N 1 1 269.392 2.653 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000294200185 394290722 /nfs/dbraw/zinc/29/07/22/394290722.db2.gz XRZIZVAJUAIWSJ-ZWKOTPCHSA-N 1 1 267.372 2.811 20 30 CFEDMO C#Cc1ccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1 ZINC000294200185 394290724 /nfs/dbraw/zinc/29/07/24/394290724.db2.gz XRZIZVAJUAIWSJ-ZWKOTPCHSA-N 1 1 267.372 2.811 20 30 CFEDMO C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000154319722 394296483 /nfs/dbraw/zinc/29/64/83/394296483.db2.gz XBXAMWVBRSKKGI-XEZPLFJOSA-N 1 1 257.381 2.692 20 30 CFEDMO C[N@@H+](CCCCNC(=O)/C=C\c1cccc(C#N)c1)C1CC1 ZINC000493663883 394304172 /nfs/dbraw/zinc/30/41/72/394304172.db2.gz YNJGLADKYRHCLW-YFHOEESVSA-N 1 1 297.402 2.562 20 30 CFEDMO C[C@@H]([NH2+]Cc1ncccc1F)c1ccc(C#N)cc1 ZINC000154891352 394304399 /nfs/dbraw/zinc/30/43/99/394304399.db2.gz BTEWGBVOLUBKSX-LLVKDONJSA-N 1 1 255.296 2.943 20 30 CFEDMO CC#CCCCC(=O)N1CCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000372093114 394306264 /nfs/dbraw/zinc/30/62/64/394306264.db2.gz BJCIWFVVMNFSTJ-INIZCTEOSA-N 1 1 299.418 2.987 20 30 CFEDMO C=CC[N@H+]1CCN(c2ccccc2OC)CC[C@H]1C ZINC000372195948 394307435 /nfs/dbraw/zinc/30/74/35/394307435.db2.gz HACHEBKSBMNOFM-CQSZACIVSA-N 1 1 260.381 2.782 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000156002458 394327172 /nfs/dbraw/zinc/32/71/72/394327172.db2.gz YSIKSTCOHNEIOS-MSOLQXFVSA-N 1 1 289.419 2.587 20 30 CFEDMO C=C(C)C[NH+]1CCC(N[C@H](C)c2ccncc2)CC1 ZINC000156626725 394336034 /nfs/dbraw/zinc/33/60/34/394336034.db2.gz REXOBHZNSXWJFQ-CQSZACIVSA-N 1 1 259.397 2.773 20 30 CFEDMO N#Cc1csc(C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000157534956 394346961 /nfs/dbraw/zinc/34/69/61/394346961.db2.gz FOEKXRDDTIRCGW-UHFFFAOYSA-N 1 1 283.400 2.942 20 30 CFEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](CC3=CCCCC3)C2)nc1 ZINC000451055967 394352297 /nfs/dbraw/zinc/35/22/97/394352297.db2.gz NBWKWVWNWTYMQD-MRXNPFEDSA-N 1 1 283.375 2.907 20 30 CFEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000173813714 394376646 /nfs/dbraw/zinc/37/66/46/394376646.db2.gz XANUQLPHAOAWGP-INIZCTEOSA-N 1 1 299.418 2.557 20 30 CFEDMO N#CC1CC[NH+](Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000525863749 394383667 /nfs/dbraw/zinc/38/36/67/394383667.db2.gz GNLLFRHLTRMFOZ-UHFFFAOYSA-N 1 1 272.377 2.874 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2C2CC2)C1=O ZINC000684966875 542880304 /nfs/dbraw/zinc/88/03/04/542880304.db2.gz PRSWZHRWSMUYNX-QGZVFWFLSA-N 1 1 284.403 2.783 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccccc2C2CC2)C1=O ZINC000684966874 542880481 /nfs/dbraw/zinc/88/04/81/542880481.db2.gz PRSWZHRWSMUYNX-KRWDZBQOSA-N 1 1 284.403 2.783 20 30 CFEDMO C[N@@H+](CCCCC#N)Cc1ccc([S@@](C)=O)cc1 ZINC000178424918 394387926 /nfs/dbraw/zinc/38/79/26/394387926.db2.gz DQEYTKBNHNKNDH-GOSISDBHSA-N 1 1 264.394 2.550 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CCc3ccccc3[C@H]2CC)C1=O ZINC000685001191 542885753 /nfs/dbraw/zinc/88/57/53/542885753.db2.gz QFDSKZVKZQICIT-SJORKVTESA-N 1 1 284.403 2.783 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C2CC2)C2CCCCC2)C1=O ZINC000685000405 542885985 /nfs/dbraw/zinc/88/59/85/542885985.db2.gz GRZDKISBCZSTSH-HNNXBMFYSA-N 1 1 262.397 2.570 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528787053 394405957 /nfs/dbraw/zinc/40/59/57/394405957.db2.gz YYVPUKACLKABBR-DVNRBFFJSA-N 1 1 288.416 2.605 20 30 CFEDMO COc1cc(CNC[C@H]2CC[N@@H+]2C2CCCC2)ccc1C#N ZINC000527808666 394411195 /nfs/dbraw/zinc/41/11/95/394411195.db2.gz KJTWEUVXFKJGSZ-QGZVFWFLSA-N 1 1 299.418 2.673 20 30 CFEDMO COc1cc(CNC[C@H]2CC[N@H+]2C2CCCC2)ccc1C#N ZINC000527808666 394411196 /nfs/dbraw/zinc/41/11/96/394411196.db2.gz KJTWEUVXFKJGSZ-QGZVFWFLSA-N 1 1 299.418 2.673 20 30 CFEDMO COc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1C#N ZINC000527812319 394411921 /nfs/dbraw/zinc/41/19/21/394411921.db2.gz ZULLEMIOKNAMAZ-QGZVFWFLSA-N 1 1 299.418 2.673 20 30 CFEDMO COc1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)cc1C#N ZINC000527812319 394411922 /nfs/dbraw/zinc/41/19/22/394411922.db2.gz ZULLEMIOKNAMAZ-QGZVFWFLSA-N 1 1 299.418 2.673 20 30 CFEDMO CCC#C[C@H](C)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000685582240 542930880 /nfs/dbraw/zinc/93/08/80/542930880.db2.gz LBWWCTVPINWHRK-UAGQMJEPSA-N 1 1 256.393 2.823 20 30 CFEDMO CCC#C[C@H](C)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000685582240 542930883 /nfs/dbraw/zinc/93/08/83/542930883.db2.gz LBWWCTVPINWHRK-UAGQMJEPSA-N 1 1 256.393 2.823 20 30 CFEDMO COc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000539508188 394627081 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ZINC000557671064 395043938 /nfs/dbraw/zinc/04/39/38/395043938.db2.gz LANCWAYQMCBUMM-KRWDZBQOSA-N 1 1 284.407 2.584 20 30 CFEDMO C=CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648731075 395289685 /nfs/dbraw/zinc/28/96/85/395289685.db2.gz BDDNALRPIGAKHG-GDBMZVCRSA-N 1 1 272.392 2.541 20 30 CFEDMO C=CCOc1ccccc1CN1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647499118 395364174 /nfs/dbraw/zinc/36/41/74/395364174.db2.gz ZVFBUGFSQITCIQ-GOEBONIOSA-N 1 1 274.408 2.811 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000649332982 395474048 /nfs/dbraw/zinc/47/40/48/395474048.db2.gz DAMFIBXMFJWPOP-YIZRAAEISA-N 1 1 291.235 2.596 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000649332982 395474050 /nfs/dbraw/zinc/47/40/50/395474050.db2.gz DAMFIBXMFJWPOP-YIZRAAEISA-N 1 1 291.235 2.596 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000649336476 395474705 /nfs/dbraw/zinc/47/47/05/395474705.db2.gz ZDGGSZZPGVOKHA-WMZOPIPTSA-N 1 1 288.435 2.520 20 30 CFEDMO C=C(C)[C@H](CO)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000649336476 395474708 /nfs/dbraw/zinc/47/47/08/395474708.db2.gz ZDGGSZZPGVOKHA-WMZOPIPTSA-N 1 1 288.435 2.520 20 30 CFEDMO C=C(C)[C@H](CO)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000649336476 395474711 /nfs/dbraw/zinc/47/47/11/395474711.db2.gz ZDGGSZZPGVOKHA-WMZOPIPTSA-N 1 1 288.435 2.520 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000649317454 395472800 /nfs/dbraw/zinc/47/28/00/395472800.db2.gz HCWWHGVMMSWPNO-GOEBONIOSA-N 1 1 263.356 2.627 20 30 CFEDMO C=CCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000649589690 395533630 /nfs/dbraw/zinc/53/36/30/395533630.db2.gz QSJKTAJWESADKA-VXGBXAGGSA-N 1 1 265.319 2.835 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000649601283 395536561 /nfs/dbraw/zinc/53/65/61/395536561.db2.gz NPRTWKDUZVRWQG-MRXNPFEDSA-N 1 1 294.826 2.789 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CC(C)(C)C(F)(F)F ZINC000491666168 397581817 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C[N@H+](Cc1nc(C#N)cs1)CC1(O)CCCCCC1 ZINC000356416301 155259378 /nfs/dbraw/zinc/25/93/78/155259378.db2.gz DXZZKQSFQHPCFS-UHFFFAOYSA-N 1 1 279.409 2.532 20 30 CFEDMO C[N@@H+](Cc1nc(C#N)cs1)CC1(O)CCCCCC1 ZINC000356416301 155259380 /nfs/dbraw/zinc/25/93/80/155259380.db2.gz DXZZKQSFQHPCFS-UHFFFAOYSA-N 1 1 279.409 2.532 20 30 CFEDMO N#Cc1ccc(C[N@H+](CCO)C2CCC2)c(C(F)(F)F)c1 ZINC000356434153 155264314 /nfs/dbraw/zinc/26/43/14/155264314.db2.gz WEAIHOQLQAVXSX-UHFFFAOYSA-N 1 1 298.308 2.924 20 30 CFEDMO C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660397961 413287096 /nfs/dbraw/zinc/28/70/96/413287096.db2.gz BLSOQYWUEIGYRD-AWEZNQCLSA-N 1 1 266.429 2.779 20 30 CFEDMO C=CC[C@@H]1CCCN(C(=O)NCCCn2cc[nH+]c2C)C1 ZINC000660394964 413287244 /nfs/dbraw/zinc/28/72/44/413287244.db2.gz IDNPWMUSYWDXIR-OAHLLOKOSA-N 1 1 290.411 2.579 20 30 CFEDMO Cc1cc(NC(=O)c2ccc(F)c(C#N)c2)cn2cc[nH+]c12 ZINC000355479171 155017959 /nfs/dbraw/zinc/01/79/59/155017959.db2.gz YCXJZRXIUZGLPC-UHFFFAOYSA-N 1 1 294.289 2.906 20 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AVESVRVVUYWDTI-UHFFFAOYSA-N 1 1 281.363 2.715 20 30 CFEDMO C=CCCn1cc(C[N@H+](C)[C@@H](C)C(C)(C)C)nn1 ZINC000653491583 413331374 /nfs/dbraw/zinc/33/13/74/413331374.db2.gz BYIAFNFPMSGMFP-LBPRGKRZSA-N 1 1 250.390 2.721 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C)CC[C@@H]2CCc3ccccc32)C1=O ZINC000660464753 413335860 /nfs/dbraw/zinc/33/58/60/413335860.db2.gz SRQGWBYSTREREX-WMZOPIPTSA-N 1 1 298.430 2.825 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCOCC3(CCCC3)C2)o1 ZINC000373570812 157007447 /nfs/dbraw/zinc/00/74/47/157007447.db2.gz YFYJOVIKSMRKFB-UHFFFAOYSA-N 1 1 260.337 2.544 20 30 CFEDMO N#Cc1ccc(C[NH2+][C@H]2COc3cccc(F)c32)cc1 ZINC000374673334 157146420 /nfs/dbraw/zinc/14/64/20/157146420.db2.gz AAKYDXDUTGIUQW-AWEZNQCLSA-N 1 1 268.291 2.921 20 30 CFEDMO COC[C@H]1CCCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000375105681 157196991 /nfs/dbraw/zinc/19/69/91/157196991.db2.gz OHJOGUPDXOZUQD-AWEZNQCLSA-N 1 1 258.365 2.807 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000375292369 157219201 /nfs/dbraw/zinc/21/92/01/157219201.db2.gz MNTCBAXTVCCVCI-MRXNPFEDSA-N 1 1 256.349 2.561 20 30 CFEDMO COCC[C@H]1CCCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000375451765 157246504 /nfs/dbraw/zinc/24/65/04/157246504.db2.gz ZIEPOXDDRWJRTR-CQSZACIVSA-N 1 1 275.396 2.535 20 30 CFEDMO N#Cc1c(Cl)nsc1NCc1c[nH+]c2n1CCCC2 ZINC000376473631 157359690 /nfs/dbraw/zinc/35/96/90/157359690.db2.gz LURKTZNZQJHEJB-UHFFFAOYSA-N 1 1 293.783 2.813 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)nn1 ZINC000653525152 413351797 /nfs/dbraw/zinc/35/17/97/413351797.db2.gz COXPZXMECAEVCR-INIZCTEOSA-N 1 1 282.391 2.844 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)nn1 ZINC000653567549 413375343 /nfs/dbraw/zinc/37/53/43/413375343.db2.gz OLVYRFHNTGFIDL-LSDHHAIUSA-N 1 1 292.452 2.714 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)nn1 ZINC000653567549 413375352 /nfs/dbraw/zinc/37/53/52/413375352.db2.gz OLVYRFHNTGFIDL-LSDHHAIUSA-N 1 1 292.452 2.714 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1COC(C)(C)C1 ZINC000660535223 413375529 /nfs/dbraw/zinc/37/55/29/413375529.db2.gz AAJGLHZZFAPTRF-ZDUSSCGKSA-N 1 1 279.380 2.718 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000660586817 413414848 /nfs/dbraw/zinc/41/48/48/413414848.db2.gz KKVYJPULFWESNV-SOUVJXGZSA-N 1 1 279.428 2.609 20 30 CFEDMO C=CC[N@@H+](CCOC)CCc1noc2ccccc21 ZINC000653638442 413419503 /nfs/dbraw/zinc/41/95/03/413419503.db2.gz YQLJTRJBHKQZFI-UHFFFAOYSA-N 1 1 260.337 2.505 20 30 CFEDMO Cc1cc(C#N)cc(N(C)CCC[N@@H+](C)Cc2ccco2)n1 ZINC000343813991 161867634 /nfs/dbraw/zinc/86/76/34/161867634.db2.gz QTURBIFNIHNOQT-UHFFFAOYSA-N 1 1 298.390 2.813 20 30 CFEDMO Cc1ccsc1[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1F ZINC000344698637 162101800 /nfs/dbraw/zinc/10/18/00/162101800.db2.gz MHNOODSQTOILRG-CQSZACIVSA-N 1 1 290.363 2.891 20 30 CFEDMO C[C@]1(CCCO)CCC[N@H+]1Cc1cccc(C#N)c1F ZINC000345937656 162280112 /nfs/dbraw/zinc/28/01/12/162280112.db2.gz RDBYAJVGTLKSDB-MRXNPFEDSA-N 1 1 276.355 2.824 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(Cc2cn3ccccc3c2C#N)C[C@@H]1C ZINC000346201061 162348239 /nfs/dbraw/zinc/34/82/39/162348239.db2.gz XAKGKLNEDYVTNO-GJZGRUSLSA-N 1 1 296.418 2.725 20 30 CFEDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(F)c(C#N)c1 ZINC000350010787 163050747 /nfs/dbraw/zinc/05/07/47/163050747.db2.gz VSGFFVOVOSSQKB-NSHDSACASA-N 1 1 292.358 2.548 20 30 CFEDMO CC[NH+](CC)CC1CCN(Cc2ccc(C#N)o2)CC1 ZINC000350145365 163062140 /nfs/dbraw/zinc/06/21/40/163062140.db2.gz HSVQYCBKYRCKCY-UHFFFAOYSA-N 1 1 275.396 2.705 20 30 CFEDMO C[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000350789726 163106231 /nfs/dbraw/zinc/10/62/31/163106231.db2.gz ZSDGPNNUJYTDFR-YOEHRIQHSA-N 1 1 299.418 3.000 20 30 CFEDMO CC[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccncc1 ZINC000352809897 163239256 /nfs/dbraw/zinc/23/92/56/163239256.db2.gz JYIZJKPNJNVRDA-LBPRGKRZSA-N 1 1 258.350 2.651 20 30 CFEDMO Cc1cccc(OC[C@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000352836915 163247125 /nfs/dbraw/zinc/24/71/25/163247125.db2.gz XZFCBVGUTMFNPG-LBPRGKRZSA-N 1 1 287.388 2.880 20 30 CFEDMO Cc1cc(C[C@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)n[nH]1 ZINC000353240743 163326577 /nfs/dbraw/zinc/32/65/77/163326577.db2.gz JWFVIGDPOKWXIQ-GTNSWQLSSA-N 1 1 280.375 2.798 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293482896 287142446 /nfs/dbraw/zinc/14/24/46/287142446.db2.gz SBFXEWLRCUZWPG-MJBXVCDLSA-N 1 1 257.381 2.644 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293482896 287142447 /nfs/dbraw/zinc/14/24/47/287142447.db2.gz SBFXEWLRCUZWPG-MJBXVCDLSA-N 1 1 257.381 2.644 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293482896 287142448 /nfs/dbraw/zinc/14/24/48/287142448.db2.gz SBFXEWLRCUZWPG-MJBXVCDLSA-N 1 1 257.381 2.644 20 30 CFEDMO C#Cc1ccc(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000934919261 649853763 /nfs/dbraw/zinc/85/37/63/649853763.db2.gz WCIUYDUBXZRMNH-OAHLLOKOSA-N 1 1 285.391 2.521 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C#N)cc1 ZINC000008351054 170332581 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C=CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000660199114 414679716 /nfs/dbraw/zinc/67/97/16/414679716.db2.gz CQEGUPXDJBVILU-ZWKOTPCHSA-N 1 1 290.451 2.985 20 30 CFEDMO C=CCC[C@@H]([NH2+]C[C@H](O)CN(C)C(C)C)c1ccccc1 ZINC000660199114 414679719 /nfs/dbraw/zinc/67/97/19/414679719.db2.gz CQEGUPXDJBVILU-ZWKOTPCHSA-N 1 1 290.451 2.985 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)/C=C\c1cccc(C#N)c1 ZINC000044532893 175196029 /nfs/dbraw/zinc/19/60/29/175196029.db2.gz GQYMQLVAEMOARR-CDNLZTBQSA-N 1 1 297.402 2.562 20 30 CFEDMO C=C(C)C[N@H+](CC)C[C@@H](O)COc1ccc(OCC)cc1 ZINC000046342230 175395742 /nfs/dbraw/zinc/39/57/42/175395742.db2.gz XQOAVISHKRTGST-OAHLLOKOSA-N 1 1 293.407 2.723 20 30 CFEDMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526309 175397702 /nfs/dbraw/zinc/39/77/02/175397702.db2.gz CSQVCWDQSYZSHM-RHSMWYFYSA-N 1 1 299.418 2.685 20 30 CFEDMO C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526309 175397704 /nfs/dbraw/zinc/39/77/04/175397704.db2.gz 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/nfs/dbraw/zinc/20/39/06/226203906.db2.gz XJNVMPXIKBZZOQ-OAHLLOKOSA-N 1 1 270.332 2.823 20 30 CFEDMO O=C(Cc1ccc2n[nH]cc2c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330035067 228023177 /nfs/dbraw/zinc/02/31/77/228023177.db2.gz WZSJMDNNLZEFIU-CVEARBPZSA-N 1 1 298.390 2.689 20 30 CFEDMO CCn1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)ccc1=O ZINC000330298859 228106126 /nfs/dbraw/zinc/10/61/26/228106126.db2.gz LWWMVSHZSMSIIV-AWEZNQCLSA-N 1 1 291.395 2.721 20 30 CFEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCO[C@H](C3CC3)C2)c1 ZINC000330111753 228041806 /nfs/dbraw/zinc/04/18/06/228041806.db2.gz BJMKSMFDTLZTRZ-INIZCTEOSA-N 1 1 299.374 2.647 20 30 CFEDMO Cn1cc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cn1 ZINC000330311621 228135503 /nfs/dbraw/zinc/13/55/03/228135503.db2.gz VWAJYQDZQRFOFF-HNNXBMFYSA-N 1 1 290.411 2.674 20 30 CFEDMO Cn1c2cc(F)ccc2[nH+]c1N[C@H]1CC[C@@H](CC#N)C1 ZINC000336189465 228209109 /nfs/dbraw/zinc/20/91/09/228209109.db2.gz WEFQRSYRIOGTDL-JQWIXIFHSA-N 1 1 272.327 2.629 20 30 CFEDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000332394672 260005561 /nfs/dbraw/zinc/00/55/61/260005561.db2.gz SIVAAGIWFIHHBY-HEHGZKQESA-N 1 1 278.396 2.732 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000371044622 260028989 /nfs/dbraw/zinc/02/89/89/260028989.db2.gz RTRSBZJXDCKTKK-SFHVURJKSA-N 1 1 287.403 2.617 20 30 CFEDMO C=C(C)[C@@H]([NH2+]CC(=O)NCCC)c1ccc(F)c(F)c1 ZINC000187768902 260056849 /nfs/dbraw/zinc/05/68/49/260056849.db2.gz QOZSCOHALOPOJJ-OAHLLOKOSA-N 1 1 282.334 2.698 20 30 CFEDMO C=CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000188518756 260150787 /nfs/dbraw/zinc/15/07/87/260150787.db2.gz UZGOXUMJSNWRSY-RDJZCZTQSA-N 1 1 286.419 2.804 20 30 CFEDMO C[N@@H+](CCCNc1cccc(C#N)n1)Cc1ccccc1 ZINC000080117294 260178194 /nfs/dbraw/zinc/17/81/94/260178194.db2.gz QKOXVBDEZVIWOL-UHFFFAOYSA-N 1 1 280.375 2.887 20 30 CFEDMO CC(C)c1nc(CO[NH+]=C(N)CCc2ccccc2)no1 ZINC000067099028 260251005 /nfs/dbraw/zinc/25/10/05/260251005.db2.gz AAVBSBRTGXFKKM-UHFFFAOYSA-N 1 1 288.351 2.615 20 30 CFEDMO CC[C@@H]1CN2CCCC[C@H]2C[N@H+]1CCC(C)(C)C#N ZINC000363467339 260263637 /nfs/dbraw/zinc/26/36/37/260263637.db2.gz JHKXMPAYDYWIIX-CABCVRRESA-N 1 1 263.429 2.875 20 30 CFEDMO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCC(C)(C)C#N ZINC000363467339 260263639 /nfs/dbraw/zinc/26/36/39/260263639.db2.gz JHKXMPAYDYWIIX-CABCVRRESA-N 1 1 263.429 2.875 20 30 CFEDMO CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1CCC(C)(C)C#N ZINC000363467339 260263641 /nfs/dbraw/zinc/26/36/41/260263641.db2.gz JHKXMPAYDYWIIX-CABCVRRESA-N 1 1 263.429 2.875 20 30 CFEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CCC[C@@H]1C ZINC000072875992 260279061 /nfs/dbraw/zinc/27/90/61/260279061.db2.gz IYMMQFMSHQUJPX-GJZGRUSLSA-N 1 1 285.391 2.806 20 30 CFEDMO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1ccccc1Cl ZINC000076571377 260293472 /nfs/dbraw/zinc/29/34/72/260293472.db2.gz YLXDNRVUVBDEAH-LBPRGKRZSA-N 1 1 293.798 2.753 20 30 CFEDMO C=C(CC)C[NH2+]Cc1csc(N(CC)C(C)=O)n1 ZINC000313486609 260298361 /nfs/dbraw/zinc/29/83/61/260298361.db2.gz DLPGIKRTNCWOSN-UHFFFAOYSA-N 1 1 267.398 2.572 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000363472682 260324607 /nfs/dbraw/zinc/32/46/07/260324607.db2.gz SNZUZKQLBREGDY-CQSZACIVSA-N 1 1 250.386 2.675 20 30 CFEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000083243476 260347225 /nfs/dbraw/zinc/34/72/25/260347225.db2.gz LHGXHAISRPDZQG-BBWFWOEESA-N 1 1 298.386 2.894 20 30 CFEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000083243476 260347226 /nfs/dbraw/zinc/34/72/26/260347226.db2.gz LHGXHAISRPDZQG-BBWFWOEESA-N 1 1 298.386 2.894 20 30 CFEDMO C[C@@H]1C[C@H](C)CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000127268875 260362214 /nfs/dbraw/zinc/36/22/14/260362214.db2.gz YIFIECMBIDZIGZ-HUUCEWRRSA-N 1 1 291.439 2.697 20 30 CFEDMO C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CCC(=O)N(C)CCC#N ZINC000092800275 260501854 /nfs/dbraw/zinc/50/18/54/260501854.db2.gz MKVIUCVXOPYQQI-DOTOQJQBSA-N 1 1 299.418 2.627 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H](CO)[C@H]1CC ZINC000449430336 260557275 /nfs/dbraw/zinc/55/72/75/260557275.db2.gz VZEWRZNULYZIIJ-JKSUJKDBSA-N 1 1 275.392 2.844 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000426570750 260866588 /nfs/dbraw/zinc/86/65/88/260866588.db2.gz OKCSITCEAHLTRG-CYBMUJFWSA-N 1 1 293.436 2.520 20 30 CFEDMO CCCCC(N)=[NH+]OCc1csc(C2CC2)n1 ZINC000153130976 261073570 /nfs/dbraw/zinc/07/35/70/261073570.db2.gz PBXJCTIBDVCJFM-UHFFFAOYSA-N 1 1 253.371 3.000 20 30 CFEDMO N#CCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153316704 261076687 /nfs/dbraw/zinc/07/66/87/261076687.db2.gz IWQNQFDAVJNVSO-UHFFFAOYSA-N 1 1 259.309 2.863 20 30 CFEDMO CCc1cnccc1[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000361132567 261164488 /nfs/dbraw/zinc/16/44/88/261164488.db2.gz QMLWWJWSNSRMMO-OLZOCXBDSA-N 1 1 256.353 2.738 20 30 CFEDMO C#CCCCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000248860570 261202765 /nfs/dbraw/zinc/20/27/65/261202765.db2.gz XGVSAQHTLSJRRR-DLBZAZTESA-N 1 1 290.451 2.903 20 30 CFEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249377853 261250403 /nfs/dbraw/zinc/25/04/03/261250403.db2.gz OMIIROBDVBSXQK-FRFSOERESA-N 1 1 291.439 2.695 20 30 CFEDMO N#Cc1c2c(cnc1NC[C@@H]1CCCC[N@H+]1C1CC1)CCC2 ZINC000518760911 261272049 /nfs/dbraw/zinc/27/20/49/261272049.db2.gz PYHVJOXUUBLTMQ-HNNXBMFYSA-N 1 1 296.418 2.871 20 30 CFEDMO C=CCOc1ccccc1CNC[C@H](C)[N@H+](C)C1CC1 ZINC000105489519 261359774 /nfs/dbraw/zinc/35/97/74/261359774.db2.gz NETIQTNVPCWSBW-AWEZNQCLSA-N 1 1 274.408 2.824 20 30 CFEDMO C=CCOc1ccccc1CNC[C@H](C)[N@@H+](C)C1CC1 ZINC000105489519 261359776 /nfs/dbraw/zinc/35/97/76/261359776.db2.gz NETIQTNVPCWSBW-AWEZNQCLSA-N 1 1 274.408 2.824 20 30 CFEDMO C=CCCCC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000178554795 261397330 /nfs/dbraw/zinc/39/73/30/261397330.db2.gz WKCOHBNOPZKJFC-HNNXBMFYSA-N 1 1 266.429 2.827 20 30 CFEDMO C#CCCC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309713596 262005617 /nfs/dbraw/zinc/00/56/17/262005617.db2.gz KZCVPOOMZGGWBF-FUHWJXTLSA-N 1 1 270.420 2.900 20 30 CFEDMO CC[C@@H](CC#N)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184092407 262009062 /nfs/dbraw/zinc/00/90/62/262009062.db2.gz LPFDDKOOOGKEQR-BHYGNILZSA-N 1 1 271.408 2.789 20 30 CFEDMO CC[C@@H](CC#N)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000184092407 262009064 /nfs/dbraw/zinc/00/90/64/262009064.db2.gz LPFDDKOOOGKEQR-BHYGNILZSA-N 1 1 271.408 2.789 20 30 CFEDMO CC[C@](C)(C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000309723478 262009369 /nfs/dbraw/zinc/00/93/69/262009369.db2.gz MUOSCDCNRHKUPU-YXJHDRRASA-N 1 1 299.418 2.705 20 30 CFEDMO COCC[N@@H+](CCCC(C)(C)C#N)Cc1cccnc1 ZINC000191247885 262190373 /nfs/dbraw/zinc/19/03/73/262190373.db2.gz LXWPWPKSNQLASH-UHFFFAOYSA-N 1 1 275.396 2.860 20 30 CFEDMO N#CCSCCC[N@H+]1CCOCC2(CCCC2)C1 ZINC000364328654 262203258 /nfs/dbraw/zinc/20/32/58/262203258.db2.gz OKKNKBZFWLXDSX-UHFFFAOYSA-N 1 1 268.426 2.526 20 30 CFEDMO Cc1nc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N ZINC000390572575 262221906 /nfs/dbraw/zinc/22/19/06/262221906.db2.gz AYTOBWNXEGAAFG-AWEZNQCLSA-N 1 1 294.402 2.616 20 30 CFEDMO CCN(C(=O)CC#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000364387163 262223425 /nfs/dbraw/zinc/22/34/25/262223425.db2.gz HFXAXCXAKAHAIJ-GOEBONIOSA-N 1 1 285.391 2.584 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000364470152 262247253 /nfs/dbraw/zinc/24/72/53/262247253.db2.gz WGXMAQPXCAJRJU-OAHLLOKOSA-N 1 1 289.427 2.853 20 30 CFEDMO C=CC1CC[NH+](CC(=O)Nc2ccccc2OCC)CC1 ZINC000111258851 262258867 /nfs/dbraw/zinc/25/88/67/262258867.db2.gz HKVNWBCJKUHSGQ-UHFFFAOYSA-N 1 1 288.391 2.922 20 30 CFEDMO CC[C@H](CC#N)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184092425 262269079 /nfs/dbraw/zinc/26/90/79/262269079.db2.gz LPFDDKOOOGKEQR-USXIJHARSA-N 1 1 271.408 2.789 20 30 CFEDMO CC[C@H](CC#N)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000184092425 262269080 /nfs/dbraw/zinc/26/90/80/262269080.db2.gz LPFDDKOOOGKEQR-USXIJHARSA-N 1 1 271.408 2.789 20 30 CFEDMO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2COc3cccc(F)c32)C1 ZINC000365221192 262352112 /nfs/dbraw/zinc/35/21/12/262352112.db2.gz OLLYHENNXGEWDV-NQBHXWOUSA-N 1 1 260.312 2.931 20 30 CFEDMO O[C@@H]1CC[N@@H+](CC#Cc2ccccc2)Cc2ccccc21 ZINC000365257024 262355674 /nfs/dbraw/zinc/35/56/74/262355674.db2.gz QAAAWVXOELTPIL-LJQANCHMSA-N 1 1 277.367 2.977 20 30 CFEDMO N#CCSCCC[N@@H+]1CC[C@@H](O)c2ccccc2C1 ZINC000373129221 262355838 /nfs/dbraw/zinc/35/58/38/262355838.db2.gz YDWKOIFWIXCIKE-OAHLLOKOSA-N 1 1 276.405 2.573 20 30 CFEDMO CC#CC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000497063028 262364428 /nfs/dbraw/zinc/36/44/28/262364428.db2.gz LHUDZDHSWYSZPQ-GASCZTMLSA-N 1 1 292.423 2.589 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CCOC2(CCOCC2)C1 ZINC000365433876 262365304 /nfs/dbraw/zinc/36/53/04/262365304.db2.gz STDLFCGINXUMQB-UHFFFAOYSA-N 1 1 280.412 2.588 20 30 CFEDMO N#CCSCCC[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000336731262 262385511 /nfs/dbraw/zinc/38/55/11/262385511.db2.gz RBHCQWNLAYGAHC-HNNXBMFYSA-N 1 1 260.406 2.950 20 30 CFEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1CCCSCC#N ZINC000336791005 262393480 /nfs/dbraw/zinc/39/34/80/262393480.db2.gz YZFBCCBVFHBWKB-KBPBESRZSA-N 1 1 270.442 2.649 20 30 CFEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1CCC[C@H]1O ZINC000336784370 262394532 /nfs/dbraw/zinc/39/45/32/262394532.db2.gz PVLDPHHVZLCHLS-ZIAGYGMSSA-N 1 1 252.402 2.799 20 30 CFEDMO CC1(C[N@H+]2CCC[C@@H]2[C@H](C#N)c2ccccc2)COC1 ZINC000336822178 262397394 /nfs/dbraw/zinc/39/73/94/262397394.db2.gz KPYMWXPVTHYGQT-HZPDHXFCSA-N 1 1 270.376 2.795 20 30 CFEDMO Cc1[nH+]ccn1CCCN(CCC#N)Cc1ccco1 ZINC000336820644 262397682 /nfs/dbraw/zinc/39/76/82/262397682.db2.gz DUSZTVPQPVKZQK-UHFFFAOYSA-N 1 1 272.352 2.591 20 30 CFEDMO CO[C@H](C)c1noc(C[N@H+](C)CCCCC(C)(C)C#N)n1 ZINC000336845510 262398946 /nfs/dbraw/zinc/39/89/46/262398946.db2.gz WRXFRINLCVVZMR-GFCCVEGCSA-N 1 1 294.399 2.929 20 30 CFEDMO CO[C@H](C)c1noc(C[N@@H+](C)CCCCC(C)(C)C#N)n1 ZINC000336845510 262398947 /nfs/dbraw/zinc/39/89/47/262398947.db2.gz 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CC[C@H]1[C@@H](CO)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000451250285 331021967 /nfs/dbraw/zinc/02/19/67/331021967.db2.gz DFFCILYVMAYDQB-ZBFHGGJFSA-N 1 1 277.795 2.784 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@]1(C)CC(C)C ZINC000451291764 331023426 /nfs/dbraw/zinc/02/34/26/331023426.db2.gz RLDPZQZOUVBIAK-NVXWUHKLSA-N 1 1 293.455 2.895 20 30 CFEDMO C[C@@]12C[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451369071 331025985 /nfs/dbraw/zinc/02/59/85/331025985.db2.gz NDIUFPLFFMXBRV-QRJUGERDSA-N 1 1 255.365 2.574 20 30 CFEDMO C=C(CC)C[N@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000451418930 331028647 /nfs/dbraw/zinc/02/86/47/331028647.db2.gz NOSLAYGBVXYDFN-INIZCTEOSA-N 1 1 289.423 2.582 20 30 CFEDMO CCO[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000451538380 331032994 /nfs/dbraw/zinc/03/29/94/331032994.db2.gz JFJGJHUREMCHOX-WMLDXEAASA-N 1 1 275.367 2.924 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451631759 331037447 /nfs/dbraw/zinc/03/74/47/331037447.db2.gz WEAVQPAVUHRJGI-XHSDSOJGSA-N 1 1 279.424 2.595 20 30 CFEDMO N#CC1(CCC[N@H+]2CCSC[C@H]2C2CC2)CCOCC1 ZINC000451659330 331038038 /nfs/dbraw/zinc/03/80/38/331038038.db2.gz ZEQHIKBLNDSSFS-HNNXBMFYSA-N 1 1 294.464 2.914 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451699549 331039527 /nfs/dbraw/zinc/03/95/27/331039527.db2.gz VPGGTBDJONGGQA-QLFBSQMISA-N 1 1 264.413 2.799 20 30 CFEDMO C[C@H]1CN(CC2(C#N)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000451717861 331040052 /nfs/dbraw/zinc/04/00/52/331040052.db2.gz ZONXVGPWAKJFTQ-MRXNPFEDSA-N 1 1 283.419 2.744 20 30 CFEDMO C[C@@H]1CN(CC2(C#N)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000451717860 331040081 /nfs/dbraw/zinc/04/00/81/331040081.db2.gz ZONXVGPWAKJFTQ-INIZCTEOSA-N 1 1 283.419 2.744 20 30 CFEDMO CO[C@H]1C[C@@H]([N@@H+](C)CCCSCC#N)C12CCC2 ZINC000451855071 331044862 /nfs/dbraw/zinc/04/48/62/331044862.db2.gz RPZTYQXNLASNKW-OLZOCXBDSA-N 1 1 268.426 2.523 20 30 CFEDMO C=C(C)CC[N@@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000451876220 331045723 /nfs/dbraw/zinc/04/57/23/331045723.db2.gz AIYZNRHVJNDOIL-GFCCVEGCSA-N 1 1 264.335 2.769 20 30 CFEDMO C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000451880485 331046072 /nfs/dbraw/zinc/04/60/72/331046072.db2.gz NWKTXOCTSKAGCF-GFCCVEGCSA-N 1 1 291.361 2.742 20 30 CFEDMO C=CCC1(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)CCCC1 ZINC000451919958 331047319 /nfs/dbraw/zinc/04/73/19/331047319.db2.gz UYIDEDNRLFXZKN-AWEZNQCLSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CCC1(C(=O)N2CC[N@H+](CC)C[C@@H]2C)CCCC1 ZINC000451919958 331047320 /nfs/dbraw/zinc/04/73/20/331047320.db2.gz UYIDEDNRLFXZKN-AWEZNQCLSA-N 1 1 264.413 2.676 20 30 CFEDMO C[N@@H+](CC1(C#N)CCC1)C1CCN(CC(F)(F)F)CC1 ZINC000452031004 331051097 /nfs/dbraw/zinc/05/10/97/331051097.db2.gz IYZAPHWWVXSMJZ-UHFFFAOYSA-N 1 1 289.345 2.639 20 30 CFEDMO C[N@@H+](CCCC#N)C1CCN(CCC(F)(F)F)CC1 ZINC000452122740 331055026 /nfs/dbraw/zinc/05/50/26/331055026.db2.gz VLFPKPVAQVWORI-UHFFFAOYSA-N 1 1 277.334 2.639 20 30 CFEDMO OCCC[C@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000452132814 331055436 /nfs/dbraw/zinc/05/54/36/331055436.db2.gz RFDBYRCJQBGBEQ-HNNXBMFYSA-N 1 1 277.795 2.786 20 30 CFEDMO C=C(C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000452717680 331073167 /nfs/dbraw/zinc/07/31/67/331073167.db2.gz MOVMPVWEPKGFEA-NVXWUHKLSA-N 1 1 286.419 2.837 20 30 CFEDMO C=CC(C)(C)CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000452777933 331076983 /nfs/dbraw/zinc/07/69/83/331076983.db2.gz WJSGZBNYVHAAPO-AWEZNQCLSA-N 1 1 274.408 2.835 20 30 CFEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]1C1CC1 ZINC000453009432 331083374 /nfs/dbraw/zinc/08/33/74/331083374.db2.gz FUTCZPIVZBEKNK-IAGOWNOFSA-N 1 1 287.403 2.639 20 30 CFEDMO C=CCn1c(C(C)C)nnc1N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000453451618 331132465 /nfs/dbraw/zinc/13/24/65/331132465.db2.gz SJKVGMNKCLVSFJ-AWEZNQCLSA-N 1 1 291.443 2.506 20 30 CFEDMO C=CCC1(CNC(=O)NCC[N@H+](C)C2CC2)CCCC1 ZINC000454636027 331150253 /nfs/dbraw/zinc/15/02/53/331150253.db2.gz FBEZYJINHBAJLW-UHFFFAOYSA-N 1 1 279.428 2.516 20 30 CFEDMO C=CC(C)(C)CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000455375526 331167760 /nfs/dbraw/zinc/16/77/60/331167760.db2.gz ZHVIWWYQTJKIGT-AWEZNQCLSA-N 1 1 281.444 2.618 20 30 CFEDMO C=CCCc1ccccc1NC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000455384974 331168120 /nfs/dbraw/zinc/16/81/20/331168120.db2.gz PCXYSFLNMKRABB-CQSZACIVSA-N 1 1 287.407 2.878 20 30 CFEDMO C=C(CC)CNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455630433 331174316 /nfs/dbraw/zinc/17/43/16/331174316.db2.gz RXDJWISGWRKBPN-UHFFFAOYSA-N 1 1 258.325 2.730 20 30 CFEDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc(CC#N)c1 ZINC000455902699 331180104 /nfs/dbraw/zinc/18/01/04/331180104.db2.gz HCTIAEXIEBUJAN-CYBMUJFWSA-N 1 1 288.395 2.603 20 30 CFEDMO CC1=CC[N@@H+](CCNC(=O)Nc2cccc(CC#N)c2)CC1 ZINC000455913537 331180826 /nfs/dbraw/zinc/18/08/26/331180826.db2.gz ZFYKINNFXLZJHB-UHFFFAOYSA-N 1 1 298.390 2.526 20 30 CFEDMO C=C(CC)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000456830004 331206552 /nfs/dbraw/zinc/20/65/52/331206552.db2.gz PXMDDEPNDPKPBZ-HNNXBMFYSA-N 1 1 260.381 2.762 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)NCC[N@H+]1CCCC1(C)C ZINC000457048898 331210900 /nfs/dbraw/zinc/21/09/00/331210900.db2.gz DXHATHDFTNPFRZ-ZDUSSCGKSA-N 1 1 252.402 2.579 20 30 CFEDMO C=CCCc1ccccc1NC(=O)Cn1cc[nH+]c1C ZINC000457770303 331233943 /nfs/dbraw/zinc/23/39/43/331233943.db2.gz CBVDNDUIDHABHX-UHFFFAOYSA-N 1 1 269.348 2.949 20 30 CFEDMO C=CCC(C)(C)CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000458808878 331260614 /nfs/dbraw/zinc/26/06/14/331260614.db2.gz JUZCJRRIGKNYIP-KGLIPLIRSA-N 1 1 281.444 2.713 20 30 CFEDMO C[C@@H]1CN(c2ccccc2C[NH2+][C@H]2CCC[C@@H]2C#N)CCO1 ZINC000459481530 331284142 /nfs/dbraw/zinc/28/41/42/331284142.db2.gz LFCNNMRTYJQDGS-INMHGKMJSA-N 1 1 299.418 2.694 20 30 CFEDMO C=CCCC[N@@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000459549453 331287282 /nfs/dbraw/zinc/28/72/82/331287282.db2.gz RQIMEAJMNGBTKL-UHFFFAOYSA-N 1 1 259.349 2.798 20 30 CFEDMO CCOC[C@@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000459724008 331295812 /nfs/dbraw/zinc/29/58/12/331295812.db2.gz WAYZSFUYCLLJCN-INIZCTEOSA-N 1 1 294.439 2.978 20 30 CFEDMO Cc1ccc(C[NH2+]CCC#N)cc1Br ZINC000164754560 331303907 /nfs/dbraw/zinc/30/39/07/331303907.db2.gz WSSASROWUUHYCW-UHFFFAOYSA-N 1 1 253.143 2.761 20 30 CFEDMO CC#CCC[N@H+](CC)[C@@H](COC)Cc1ccccc1 ZINC000462320064 331319461 /nfs/dbraw/zinc/31/94/61/331319461.db2.gz QCOMGVSLRVYLNE-QGZVFWFLSA-N 1 1 259.393 2.979 20 30 CFEDMO CC#CCCN1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000462476666 331322662 /nfs/dbraw/zinc/32/26/62/331322662.db2.gz VFRWOGOIFVMBRU-SFHVURJKSA-N 1 1 270.420 2.996 20 30 CFEDMO CC#CCC[N@@H+]1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000462476666 331322663 /nfs/dbraw/zinc/32/26/63/331322663.db2.gz VFRWOGOIFVMBRU-SFHVURJKSA-N 1 1 270.420 2.996 20 30 CFEDMO CC#CCC[N@H+]1CCN(Cc2ccccc2)[C@@H](CC)C1 ZINC000462476666 331322664 /nfs/dbraw/zinc/32/26/64/331322664.db2.gz VFRWOGOIFVMBRU-SFHVURJKSA-N 1 1 270.420 2.996 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000516619774 332916516 /nfs/dbraw/zinc/91/65/16/332916516.db2.gz ZVPLKXKQBVLINQ-WFASDCNBSA-N 1 1 254.337 2.566 20 30 CFEDMO C=C(C)CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000488565476 332017785 /nfs/dbraw/zinc/01/77/85/332017785.db2.gz MHIZORQBQQNGCE-MRXNPFEDSA-N 1 1 293.455 2.906 20 30 CFEDMO C=CCn1cccc1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000488727741 332022907 /nfs/dbraw/zinc/02/29/07/332022907.db2.gz DKYSMSNSVUTSHJ-HNNXBMFYSA-N 1 1 289.423 2.621 20 30 CFEDMO C[C@H]1[C@H](CO)CC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000488753744 332023945 /nfs/dbraw/zinc/02/39/45/332023945.db2.gz NNSQZUNWIBTZSB-JSGCOSHPSA-N 1 1 297.320 2.760 20 30 CFEDMO C=C(CNC(=O)[C@H]1CCC[N@@H+]1CCC)c1ccccc1 ZINC000488904250 332033182 /nfs/dbraw/zinc/03/31/82/332033182.db2.gz BCLZDOFMRKDDMS-MRXNPFEDSA-N 1 1 272.392 2.690 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000489419644 332050812 /nfs/dbraw/zinc/05/08/12/332050812.db2.gz ABZPNVYUXCVWSB-UKRRQHHQSA-N 1 1 276.424 2.816 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(CC(C)C)C1CC1 ZINC000489431281 332052055 /nfs/dbraw/zinc/05/20/55/332052055.db2.gz DUQLWIPTTRRLOX-CQSZACIVSA-N 1 1 264.413 2.674 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)NCC1CCCCC1 ZINC000489430785 332052089 /nfs/dbraw/zinc/05/20/89/332052089.db2.gz DLFGWUHWJKEXAR-HNNXBMFYSA-N 1 1 264.413 2.723 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)NCC1CCCCC1 ZINC000489430785 332052091 /nfs/dbraw/zinc/05/20/91/332052091.db2.gz DLFGWUHWJKEXAR-HNNXBMFYSA-N 1 1 264.413 2.723 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(F)c1 ZINC000489438228 332052162 /nfs/dbraw/zinc/05/21/62/332052162.db2.gz ZNKJFXFLCKKZEO-AWEZNQCLSA-N 1 1 262.328 2.805 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(F)c1 ZINC000489438228 332052163 /nfs/dbraw/zinc/05/21/63/332052163.db2.gz ZNKJFXFLCKKZEO-AWEZNQCLSA-N 1 1 262.328 2.805 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000489440657 332052580 /nfs/dbraw/zinc/05/25/80/332052580.db2.gz BZDNIFZDTXZNNK-INIZCTEOSA-N 1 1 290.382 2.525 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccc(F)cc1 ZINC000489493953 332056457 /nfs/dbraw/zinc/05/64/57/332056457.db2.gz IKNYGSHQQCMKKJ-LSDHHAIUSA-N 1 1 279.355 2.606 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(CCC)CCC ZINC000489512157 332057669 /nfs/dbraw/zinc/05/76/69/332057669.db2.gz OCCQKRLTOLREFB-CQSZACIVSA-N 1 1 252.402 2.676 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)NCC(C)(C)CCC#N ZINC000489838728 332069956 /nfs/dbraw/zinc/06/99/56/332069956.db2.gz HPDRVCDRGRGTAW-CQSZACIVSA-N 1 1 279.428 2.697 20 30 CFEDMO C=CC[C@H](C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000490254041 332085550 /nfs/dbraw/zinc/08/55/50/332085550.db2.gz SQKHPONNQRCRIA-PVAVHDDUSA-N 1 1 286.419 2.945 20 30 CFEDMO C#CC[N@H+](CC)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000490874217 332123712 /nfs/dbraw/zinc/12/37/12/332123712.db2.gz LRJBOXNTMUORPV-KRWDZBQOSA-N 1 1 273.376 2.700 20 30 CFEDMO C#C[C@H](C)N(C)C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000491253891 332175083 /nfs/dbraw/zinc/17/50/83/332175083.db2.gz PXEXBYJXUUNIOL-AWEZNQCLSA-N 1 1 284.403 2.765 20 30 CFEDMO C#CCn1ccc(CN(CC)c2cc[nH+]cc2Cl)n1 ZINC000491266581 332177178 /nfs/dbraw/zinc/17/71/78/332177178.db2.gz PRRGKVOZLGEMFF-UHFFFAOYSA-N 1 1 274.755 2.591 20 30 CFEDMO C#CC[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C1CC1 ZINC000491275592 332178906 /nfs/dbraw/zinc/17/89/06/332178906.db2.gz FLIIOVHEYNWIAH-UHFFFAOYSA-N 1 1 251.333 2.674 20 30 CFEDMO C#CC[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C1CC1 ZINC000491275592 332178907 /nfs/dbraw/zinc/17/89/07/332178907.db2.gz FLIIOVHEYNWIAH-UHFFFAOYSA-N 1 1 251.333 2.674 20 30 CFEDMO C#CC[N@@H+](Cc1c(C)cnn1C)[C@H]1CCc2ccccc21 ZINC000491414673 332207424 /nfs/dbraw/zinc/20/74/24/332207424.db2.gz DWKLZDMIQRQWSV-KRWDZBQOSA-N 1 1 279.387 2.851 20 30 CFEDMO C#CC[N@H+](Cc1c(C)cnn1C)[C@H]1CCc2ccccc21 ZINC000491414673 332207425 /nfs/dbraw/zinc/20/74/25/332207425.db2.gz DWKLZDMIQRQWSV-KRWDZBQOSA-N 1 1 279.387 2.851 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(OC)c1OC(F)F ZINC000491537124 332232426 /nfs/dbraw/zinc/23/24/26/332232426.db2.gz OLQNKMKAXMOSQY-JTQLQIEISA-N 1 1 269.291 2.750 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(OC)c1OC(F)F ZINC000491537124 332232427 /nfs/dbraw/zinc/23/24/27/332232427.db2.gz OLQNKMKAXMOSQY-JTQLQIEISA-N 1 1 269.291 2.750 20 30 CFEDMO C#CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000491616507 332243695 /nfs/dbraw/zinc/24/36/95/332243695.db2.gz AVZBGUROOKSHSM-CYBMUJFWSA-N 1 1 254.333 2.575 20 30 CFEDMO C#CC[N@H+](C[C@@H]1CC2(CC2)C(=O)O1)[C@H]1CCc2ccccc21 ZINC000491628341 332251726 /nfs/dbraw/zinc/25/17/26/332251726.db2.gz VFMFHPOXZFWRDT-RDJZCZTQSA-N 1 1 295.382 2.705 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000491635029 332256322 /nfs/dbraw/zinc/25/63/22/332256322.db2.gz KDZGFOTXXKIOEV-YOEHRIQHSA-N 1 1 273.376 2.698 20 30 CFEDMO N#CCc1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000335829260 335097431 /nfs/dbraw/zinc/09/74/31/335097431.db2.gz ADZFQAGNOUHBEV-UHFFFAOYSA-N 1 1 270.376 2.755 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000491664442 332273262 /nfs/dbraw/zinc/27/32/62/332273262.db2.gz IZZBOXBHJGMBFB-LLVKDONJSA-N 1 1 298.308 2.988 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000491673682 332279846 /nfs/dbraw/zinc/27/98/46/332279846.db2.gz URUKBBBIGBEHSE-AWEZNQCLSA-N 1 1 286.375 2.831 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC(F)F ZINC000491712362 332303597 /nfs/dbraw/zinc/30/35/97/332303597.db2.gz ZIYXYDAUQOQEOE-SNVBAGLBSA-N 1 1 269.291 2.750 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1OC(F)F ZINC000491712362 332303598 /nfs/dbraw/zinc/30/35/98/332303598.db2.gz ZIYXYDAUQOQEOE-SNVBAGLBSA-N 1 1 269.291 2.750 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(SC)cc1 ZINC000491732101 332313526 /nfs/dbraw/zinc/31/35/26/332313526.db2.gz HDWVPOUGNDAWOG-UHFFFAOYSA-N 1 1 276.405 2.691 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccc(SC)cc1 ZINC000491732101 332313527 /nfs/dbraw/zinc/31/35/27/332313527.db2.gz HDWVPOUGNDAWOG-UHFFFAOYSA-N 1 1 276.405 2.691 20 30 CFEDMO C#C[C@H](CC)NC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000491732174 332313560 /nfs/dbraw/zinc/31/35/60/332313560.db2.gz HGJQWJHPCJVXOL-OIISXLGYSA-N 1 1 299.418 2.533 20 30 CFEDMO C=C[C@H]1CCCCN1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000491757894 332330439 /nfs/dbraw/zinc/33/04/39/332330439.db2.gz DHRGRZCTKGPZEF-UONOGXRCSA-N 1 1 291.395 2.632 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000491807805 332360775 /nfs/dbraw/zinc/36/07/75/332360775.db2.gz USRBYUYTTVSGFB-LLVKDONJSA-N 1 1 257.362 2.659 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000491807805 332360777 /nfs/dbraw/zinc/36/07/77/332360777.db2.gz USRBYUYTTVSGFB-LLVKDONJSA-N 1 1 257.362 2.659 20 30 CFEDMO C=CC[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C1CC1 ZINC000492279944 332390559 /nfs/dbraw/zinc/39/05/59/332390559.db2.gz YXXGZOFJMGIOQO-LLVKDONJSA-N 1 1 254.374 2.550 20 30 CFEDMO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000517039274 333090761 /nfs/dbraw/zinc/09/07/61/333090761.db2.gz WTAPJSLYSSSNIM-KGLIPLIRSA-N 1 1 279.428 2.838 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)C1=O ZINC000517536678 333101516 /nfs/dbraw/zinc/10/15/16/333101516.db2.gz ZFSSGJHGACCULA-FZKCQIBNSA-N 1 1 276.424 2.674 20 30 CFEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](O)CC(F)(F)F ZINC000189499518 333193750 /nfs/dbraw/zinc/19/37/50/333193750.db2.gz NRLVUCLYYGGLCE-LLVKDONJSA-N 1 1 266.307 2.561 20 30 CFEDMO C=C(C)C[N@@H+](C)CCOCC(F)(F)C(F)(F)F ZINC000189875353 333199632 /nfs/dbraw/zinc/19/96/32/333199632.db2.gz JVJJFJMYOHMHNV-UHFFFAOYSA-N 1 1 261.234 2.709 20 30 CFEDMO Cc1noc(C)c1CO[C@H]1CC[N@H+]([C@@H](C)CCC#N)C1 ZINC000575848662 335123130 /nfs/dbraw/zinc/12/31/30/335123130.db2.gz BCSUXBRSKXYHQV-FZMZJTMJSA-N 1 1 277.368 2.575 20 30 CFEDMO C=CCCCCC[N@H+]1CCN(CC(C)(C)O)C[C@H]1C ZINC000193571326 333253408 /nfs/dbraw/zinc/25/34/08/333253408.db2.gz PLTQXLOHZJALNU-OAHLLOKOSA-N 1 1 268.445 2.510 20 30 CFEDMO C=CCCCCC[N@@H+]1CCN(CC(C)(C)O)C[C@H]1C ZINC000193571326 333253409 /nfs/dbraw/zinc/25/34/09/333253409.db2.gz PLTQXLOHZJALNU-OAHLLOKOSA-N 1 1 268.445 2.510 20 30 CFEDMO C=CCCc1ccccc1NC(=O)Cn1c[nH+]cc1C ZINC000529276146 333480830 /nfs/dbraw/zinc/48/08/30/333480830.db2.gz YVHJJGXBVRSMEV-UHFFFAOYSA-N 1 1 269.348 2.949 20 30 CFEDMO N#CCC1CC[NH+](Cc2csc(-c3ncccn3)n2)CC1 ZINC000542882670 333847938 /nfs/dbraw/zinc/84/79/38/333847938.db2.gz CPMSYFPOTRGXFG-UHFFFAOYSA-N 1 1 299.403 2.726 20 30 CFEDMO C=CCNC(=O)C[NH2+][C@H](CC(F)(F)F)c1ccccc1 ZINC000341585838 335170381 /nfs/dbraw/zinc/17/03/81/335170381.db2.gz HFKDNHYTNFCKPP-GFCCVEGCSA-N 1 1 286.297 2.572 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000075862120 334055212 /nfs/dbraw/zinc/05/52/12/334055212.db2.gz MFIJBAPCZCAEJX-GFCCVEGCSA-N 1 1 292.345 2.685 20 30 CFEDMO C=CC1CCN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000134007550 334077015 /nfs/dbraw/zinc/07/70/15/334077015.db2.gz XFOLHPUWEVXBDK-MRXNPFEDSA-N 1 1 293.455 2.572 20 30 CFEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)Cc1cccs1 ZINC000076651048 334086596 /nfs/dbraw/zinc/08/65/96/334086596.db2.gz QHCPJSKFBQCPDO-ZDUSSCGKSA-N 1 1 293.436 2.578 20 30 CFEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC)Cc1cccs1 ZINC000076651048 334086597 /nfs/dbraw/zinc/08/65/97/334086597.db2.gz QHCPJSKFBQCPDO-ZDUSSCGKSA-N 1 1 293.436 2.578 20 30 CFEDMO CC[N@H+]1CCCN(CC#Cc2ccccc2Cl)CC1 ZINC000135028451 334112759 /nfs/dbraw/zinc/11/27/59/334112759.db2.gz DWZSSAJYBHYLOP-UHFFFAOYSA-N 1 1 276.811 2.719 20 30 CFEDMO C[C@H](O)[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000135059600 334114192 /nfs/dbraw/zinc/11/41/92/334114192.db2.gz ILOGBSJGHCFLAT-XJKSGUPXSA-N 1 1 277.795 2.927 20 30 CFEDMO C[C@H](O)[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000135059600 334114194 /nfs/dbraw/zinc/11/41/94/334114194.db2.gz ILOGBSJGHCFLAT-XJKSGUPXSA-N 1 1 277.795 2.927 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000135127104 334116744 /nfs/dbraw/zinc/11/67/44/334116744.db2.gz NPRWMRAKJLCVCB-KRWDZBQOSA-N 1 1 287.407 2.641 20 30 CFEDMO C[C@H]1CCC[C@H]([N@@H+](C)CC(=O)NC2(C#N)CCCCC2)C1 ZINC000078538893 334135687 /nfs/dbraw/zinc/13/56/87/334135687.db2.gz UDSYFPFKNUTMCN-GJZGRUSLSA-N 1 1 291.439 2.840 20 30 CFEDMO C=CCN(CC1CCCCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000551943167 334267154 /nfs/dbraw/zinc/26/71/54/334267154.db2.gz WFQDWUZZOPDLJK-HNNXBMFYSA-N 1 1 264.413 2.533 20 30 CFEDMO CC[C@H](CC#N)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248397374 334300099 /nfs/dbraw/zinc/30/00/99/334300099.db2.gz LPFDDKOOOGKEQR-DJIMGWMZSA-N 1 1 271.408 2.789 20 30 CFEDMO CC[C@H](CC#N)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000248397374 334300100 /nfs/dbraw/zinc/30/01/00/334300100.db2.gz LPFDDKOOOGKEQR-DJIMGWMZSA-N 1 1 271.408 2.789 20 30 CFEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H](C#N)CCC#N)C1 ZINC000552214920 334304094 /nfs/dbraw/zinc/30/40/94/334304094.db2.gz VAWDDHUQFVMEJP-JFIYKMOQSA-N 1 1 296.418 2.855 20 30 CFEDMO C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000552214920 334304096 /nfs/dbraw/zinc/30/40/96/334304096.db2.gz VAWDDHUQFVMEJP-JFIYKMOQSA-N 1 1 296.418 2.855 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000248885682 334320715 /nfs/dbraw/zinc/32/07/15/334320715.db2.gz DXLVAQHOPHUQBA-HIFRSBDPSA-N 1 1 252.402 2.579 20 30 CFEDMO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000248890755 334321199 /nfs/dbraw/zinc/32/11/99/334321199.db2.gz FSHMQRKHWSFOJK-IIAWOOMASA-N 1 1 266.429 2.825 20 30 CFEDMO C[C@H](O)[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000089932890 334353917 /nfs/dbraw/zinc/35/39/17/334353917.db2.gz ZVAQKRUQQCGADG-ZFWWWQNUSA-N 1 1 277.795 2.784 20 30 CFEDMO C[C@@H](O)[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000089932891 334353995 /nfs/dbraw/zinc/35/39/95/334353995.db2.gz ZVAQKRUQQCGADG-HIFRSBDPSA-N 1 1 277.795 2.784 20 30 CFEDMO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CCc1ccccc1 ZINC000090010688 334355535 /nfs/dbraw/zinc/35/55/35/334355535.db2.gz DPIZHQXQUNEYIL-QGZVFWFLSA-N 1 1 286.419 2.776 20 30 CFEDMO C[C@H]([NH2+][C@H]1CCC[C@H]1C#N)c1cccc([N+](=O)[O-])c1 ZINC000251592523 334365017 /nfs/dbraw/zinc/36/50/17/334365017.db2.gz XZODOANWBJPXJC-JKOKRWQUSA-N 1 1 259.309 2.938 20 30 CFEDMO CCc1nnc([C@@H](C)[NH+]2CCC(CCC#N)CC2)o1 ZINC000567791216 334761482 /nfs/dbraw/zinc/76/14/82/334761482.db2.gz KSEVAEUKJCAWEZ-LLVKDONJSA-N 1 1 262.357 2.709 20 30 CFEDMO C[N@H+](Cc1ccc(CC#N)cc1)CC1CCOCC1 ZINC000343706380 335217148 /nfs/dbraw/zinc/21/71/48/335217148.db2.gz GVPZFCCLCZNMCR-UHFFFAOYSA-N 1 1 258.365 2.611 20 30 CFEDMO C=CCC1(NC(=O)[C@H](C)[NH+]2CC(C)C2)CCCCC1 ZINC000580659249 335315000 /nfs/dbraw/zinc/31/50/00/335315000.db2.gz SCVZWUVGAKVWMW-AWEZNQCLSA-N 1 1 264.413 2.722 20 30 CFEDMO Cn1cc(C[NH2+]C[C@H](C#N)CCC#N)c(-c2ccccc2)n1 ZINC000577374110 335344397 /nfs/dbraw/zinc/34/43/97/335344397.db2.gz OQZLOTGKWUPKGP-AWEZNQCLSA-N 1 1 293.374 2.620 20 30 CFEDMO C=CC[C@@H]1N(C(=O)C[N@@H+]2CC[C@@H](C)C2)CCCC1(C)C ZINC000577744786 335396038 /nfs/dbraw/zinc/39/60/38/335396038.db2.gz WQARMUCLEBGDHV-CABCVRRESA-N 1 1 278.440 2.922 20 30 CFEDMO C=C(CC)CNC(=O)N1CCC[C@H]1Cn1cc[nH+]c1CC ZINC000578222381 335588172 /nfs/dbraw/zinc/58/81/72/335588172.db2.gz VRLSNNKXGMICKX-AWEZNQCLSA-N 1 1 290.411 2.586 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000180504970 335600608 /nfs/dbraw/zinc/60/06/08/335600608.db2.gz KQRGPGGTGGMWOO-KBPBESRZSA-N 1 1 292.427 2.872 20 30 CFEDMO CC(C)c1ccc(C[NH2+]C[C@H](C)C#N)cc1[N+](=O)[O-] ZINC000183827959 335908488 /nfs/dbraw/zinc/90/84/88/335908488.db2.gz PCKGIRDXARNZIC-LLVKDONJSA-N 1 1 261.325 2.967 20 30 CFEDMO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](C)C#N)cc1 ZINC000183828104 335908533 /nfs/dbraw/zinc/90/85/33/335908533.db2.gz XOXNGGJDJYMPGJ-LBPRGKRZSA-N 1 1 254.337 2.634 20 30 CFEDMO C=CCCCCCNC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000581079539 336005600 /nfs/dbraw/zinc/00/56/00/336005600.db2.gz DLZHVQMKDUYYGW-ZDUSSCGKSA-N 1 1 267.417 2.515 20 30 CFEDMO C=CCC1(CNC(=O)[C@@H](C)[NH+]2CC(C)C2)CCCC1 ZINC000581379231 336065225 /nfs/dbraw/zinc/06/52/25/336065225.db2.gz HNKBOPIWYZPJQF-CQSZACIVSA-N 1 1 264.413 2.579 20 30 CFEDMO CC#CCC[N@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000381990513 336079901 /nfs/dbraw/zinc/07/99/01/336079901.db2.gz OYZOTJGHAZQAHK-MOPGFXCFSA-N 1 1 282.431 2.854 20 30 CFEDMO CC#CCC[N@@H+]1C[C@H]2CN(Cc3ccccc3)CC[C@@H]2C1 ZINC000381990513 336079902 /nfs/dbraw/zinc/07/99/02/336079902.db2.gz OYZOTJGHAZQAHK-MOPGFXCFSA-N 1 1 282.431 2.854 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001085594156 782111173 /nfs/dbraw/zinc/11/11/73/782111173.db2.gz AHAOVQOKSMIRDP-CVEARBPZSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001085605580 782113320 /nfs/dbraw/zinc/11/33/20/782113320.db2.gz NGRNUWHLQQYPRV-RRFJBIMHSA-N 1 1 278.440 2.777 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)(C)C ZINC001085605580 782113325 /nfs/dbraw/zinc/11/33/25/782113325.db2.gz NGRNUWHLQQYPRV-RRFJBIMHSA-N 1 1 278.440 2.777 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001085614201 782113858 /nfs/dbraw/zinc/11/38/58/782113858.db2.gz IGBLQROAGCEXMU-SJORKVTESA-N 1 1 288.435 2.679 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001085611795 782115285 /nfs/dbraw/zinc/11/52/85/782115285.db2.gz CDDWHQQBQJEMTD-IAGOWNOFSA-N 1 1 288.435 2.679 20 30 CFEDMO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001085611795 782115291 /nfs/dbraw/zinc/11/52/91/782115291.db2.gz CDDWHQQBQJEMTD-IAGOWNOFSA-N 1 1 288.435 2.679 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccccc1C(C)C ZINC001085629748 782121099 /nfs/dbraw/zinc/12/10/99/782121099.db2.gz ATLGVNZQNJXHAM-MRXNPFEDSA-N 1 1 298.430 2.980 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2cc(C)cn2c1 ZINC001085634752 782121485 /nfs/dbraw/zinc/12/14/85/782121485.db2.gz YLBKMXWCMIPXBK-QGZVFWFLSA-N 1 1 297.402 2.580 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2cc(C)cn2c1 ZINC001085634752 782121489 /nfs/dbraw/zinc/12/14/89/782121489.db2.gz YLBKMXWCMIPXBK-QGZVFWFLSA-N 1 1 297.402 2.580 20 30 CFEDMO C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC001085629677 782121566 /nfs/dbraw/zinc/12/15/66/782121566.db2.gz ZDYSJMBWJLLNER-GOSISDBHSA-N 1 1 296.414 2.734 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC001085629677 782121571 /nfs/dbraw/zinc/12/15/71/782121571.db2.gz ZDYSJMBWJLLNER-GOSISDBHSA-N 1 1 296.414 2.734 20 30 CFEDMO C=CCn1cccc1C(=O)N(C)C[C@H]1CC[N@@H+]1CCCC ZINC001085641742 782122154 /nfs/dbraw/zinc/12/21/54/782122154.db2.gz VXBNGQPZNSBDBA-OAHLLOKOSA-N 1 1 289.423 2.621 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cscc1Cl ZINC001085657887 782124304 /nfs/dbraw/zinc/12/43/04/782124304.db2.gz CUOMEJWIRAPDKB-SNVBAGLBSA-N 1 1 284.812 2.734 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cscc1Cl ZINC001085657887 782124308 /nfs/dbraw/zinc/12/43/08/782124308.db2.gz CUOMEJWIRAPDKB-SNVBAGLBSA-N 1 1 284.812 2.734 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1oc(C(F)F)cc1C ZINC001085648635 782124479 /nfs/dbraw/zinc/12/44/79/782124479.db2.gz RIPTWPJIJJGUMC-LLVKDONJSA-N 1 1 298.333 2.858 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1oc(C(F)F)cc1C ZINC001085648635 782124484 /nfs/dbraw/zinc/12/44/84/782124484.db2.gz RIPTWPJIJJGUMC-LLVKDONJSA-N 1 1 298.333 2.858 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCC=CCCC1 ZINC001085668357 782127114 /nfs/dbraw/zinc/12/71/14/782127114.db2.gz BJESVQKPOJLTPJ-SJORKVTESA-N 1 1 288.435 2.679 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)c(F)c1 ZINC001085709105 782139317 /nfs/dbraw/zinc/13/93/17/782139317.db2.gz YXKWTLOULANIRC-OAHLLOKOSA-N 1 1 290.382 2.857 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@]12C[C@H]1CCC2 ZINC001085735425 782147219 /nfs/dbraw/zinc/14/72/19/782147219.db2.gz HFWQZCVZUSAFSC-BFYDXBDKSA-N 1 1 276.424 2.676 20 30 CFEDMO C#Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+]2CC2CCC2)cc1 ZINC001085757967 782154363 /nfs/dbraw/zinc/15/43/63/782154363.db2.gz 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1 288.391 2.770 20 30 CFEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCCC[C@H]1O ZINC000895439150 618586619 /nfs/dbraw/zinc/58/66/19/618586619.db2.gz ZFZJIRSICRCLKP-IAGOWNOFSA-N 1 1 284.403 2.977 20 30 CFEDMO N#Cc1ccc([C@H](O)C[N@@H+](Cc2ccncc2)C2CC2)cc1 ZINC000180761082 618672618 /nfs/dbraw/zinc/67/26/18/618672618.db2.gz JXGRZPMBZACFTQ-GOSISDBHSA-N 1 1 293.370 2.651 20 30 CFEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[C@H]1C ZINC001017860991 618674665 /nfs/dbraw/zinc/67/46/65/618674665.db2.gz MIJJKOPHMBXSNP-WCXIOVBPSA-N 1 1 288.435 2.511 20 30 CFEDMO Cc1cc(F)c(C#N)c(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000892674839 618695082 /nfs/dbraw/zinc/69/50/82/618695082.db2.gz ZJSBQJCQDOXLLY-NEPJUHHUSA-N 1 1 261.344 2.900 20 30 CFEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000892684468 618708028 /nfs/dbraw/zinc/70/80/28/618708028.db2.gz RENHIJSWMDVEDF-CQSZACIVSA-N 1 1 264.413 2.722 20 30 CFEDMO C#CCOCC[N@H+](CCC)Cc1ccc(OC)cc1 ZINC000851739565 618729120 /nfs/dbraw/zinc/72/91/20/618729120.db2.gz MTQFLHQRRYDOHF-UHFFFAOYSA-N 1 1 261.365 2.557 20 30 CFEDMO NC(=[NH+]OCc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000171611245 618733814 /nfs/dbraw/zinc/73/38/14/618733814.db2.gz REZPCDUZZATTEK-UHFFFAOYSA-N 1 1 281.287 2.713 20 30 CFEDMO COC(=O)c1cc(F)ccc1CO[NH+]=C(N)C1CCCC1 ZINC000171611252 618733846 /nfs/dbraw/zinc/73/38/46/618733846.db2.gz OEIXDFUUXLOJHB-UHFFFAOYSA-N 1 1 294.326 2.591 20 30 CFEDMO CC[N@@H+](C)C[C@@H]1CCN(c2cc(C)cc(F)c2C#N)C1 ZINC000892729753 618734149 /nfs/dbraw/zinc/73/41/49/618734149.db2.gz ATRSLFFDLQVFBI-ZDUSSCGKSA-N 1 1 275.371 2.784 20 30 CFEDMO C[C@@H]1CCCC[C@@H]1N(C)C(=O)CO[NH+]=C(N)C1CCCC1 ZINC000178302189 618742553 /nfs/dbraw/zinc/74/25/53/618742553.db2.gz AFGRMLKLWVYESO-OCCSQVGLSA-N 1 1 295.427 2.503 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000851988537 618752811 /nfs/dbraw/zinc/75/28/11/618752811.db2.gz ADAOIPXGMWUHGO-SECBINFHSA-N 1 1 257.255 2.881 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1OC(F)F ZINC000851988537 618752812 /nfs/dbraw/zinc/75/28/12/618752812.db2.gz ADAOIPXGMWUHGO-SECBINFHSA-N 1 1 257.255 2.881 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)P(=O)(OCC)OCC ZINC000851993334 618753062 /nfs/dbraw/zinc/75/30/62/618753062.db2.gz BSAXWVWJZPUOFN-STQMWFEESA-N 1 1 291.328 2.611 20 30 CFEDMO Cc1cc(F)c(C#N)c(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000892841582 618756103 /nfs/dbraw/zinc/75/61/03/618756103.db2.gz BSHVQIBJSHDJTN-DOMZBBRYSA-N 1 1 275.371 2.782 20 30 CFEDMO Cn1ncc(C[NH2+]Cc2ccc(C#N)cc2F)c1C1CC1 ZINC000892912313 618767678 /nfs/dbraw/zinc/76/76/78/618767678.db2.gz SZEJRBXRAYYPQU-UHFFFAOYSA-N 1 1 284.338 2.598 20 30 CFEDMO C=CCSCC[NH2+]Cc1nnc(C(C)C)s1 ZINC000892942317 618775694 /nfs/dbraw/zinc/77/56/94/618775694.db2.gz WSYKRDOMHMBEHF-UHFFFAOYSA-N 1 1 257.428 2.670 20 30 CFEDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc(C#N)cc2Cl)C1 ZINC000892984362 618791022 /nfs/dbraw/zinc/79/10/22/618791022.db2.gz BPKJTMCLDDPQFK-GFCCVEGCSA-N 1 1 286.766 2.939 20 30 CFEDMO N#CC1(CCCC[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)CCC1 ZINC000930454737 618826258 /nfs/dbraw/zinc/82/62/58/618826258.db2.gz YSFVPGNBTYVSHJ-JKSUJKDBSA-N 1 1 292.423 2.730 20 30 CFEDMO N#CC1(CCCC[N@H+]2CCOC[C@H]2[C@H]2CCCO2)CCC1 ZINC000930454737 618826261 /nfs/dbraw/zinc/82/62/61/618826261.db2.gz YSFVPGNBTYVSHJ-JKSUJKDBSA-N 1 1 292.423 2.730 20 30 CFEDMO NC(=[NH+]OCc1nccs1)C1CCCCCC1 ZINC000179005584 618848340 /nfs/dbraw/zinc/84/83/40/618848340.db2.gz WASRQQABRYWXLV-UHFFFAOYSA-N 1 1 253.371 2.902 20 30 CFEDMO CCCc1nc(CO[NH+]=C(N)C2CCCCCC2)no1 ZINC000179005742 618848987 /nfs/dbraw/zinc/84/89/87/618848987.db2.gz CLNFWOAVXDHJOV-UHFFFAOYSA-N 1 1 280.372 2.781 20 30 CFEDMO C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@H](O)CC#N ZINC000930599648 618883523 /nfs/dbraw/zinc/88/35/23/618883523.db2.gz AAFNKMNCLHZADC-CLWVCHIJSA-N 1 1 258.365 2.527 20 30 CFEDMO CC1(C)[C@@H](NCc2ccc(CC#N)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925708360 618962886 /nfs/dbraw/zinc/96/28/86/618962886.db2.gz RPXJCQOFUDHJPW-IKGGRYGDSA-N 1 1 283.419 2.619 20 30 CFEDMO C=C(Br)C[N@H+]1CCCC[C@@H]1COCC ZINC000313469191 618989865 /nfs/dbraw/zinc/98/98/65/618989865.db2.gz RJERMCWRIOONII-LLVKDONJSA-N 1 1 262.191 2.786 20 30 CFEDMO C=C(Br)C[N@@H+]1CCCC[C@@H]1COCC ZINC000313469191 618989867 /nfs/dbraw/zinc/98/98/67/618989867.db2.gz RJERMCWRIOONII-LLVKDONJSA-N 1 1 262.191 2.786 20 30 CFEDMO C=C(Br)C[N@H+]1CCCC[C@H]1COCC ZINC000313469194 618990135 /nfs/dbraw/zinc/99/01/35/618990135.db2.gz RJERMCWRIOONII-NSHDSACASA-N 1 1 262.191 2.786 20 30 CFEDMO C=C(Br)C[N@@H+]1CCCC[C@H]1COCC ZINC000313469194 618990138 /nfs/dbraw/zinc/99/01/38/618990138.db2.gz RJERMCWRIOONII-NSHDSACASA-N 1 1 262.191 2.786 20 30 CFEDMO Cc1ccc(C[N@H+](CCO)Cc2csc(C#N)c2)cc1 ZINC000893509774 619027391 /nfs/dbraw/zinc/02/73/91/619027391.db2.gz XHSMEAVMEGXWNG-UHFFFAOYSA-N 1 1 286.400 2.923 20 30 CFEDMO Cc1ccc(C[N@@H+](CCO)Cc2csc(C#N)c2)cc1 ZINC000893509774 619027393 /nfs/dbraw/zinc/02/73/93/619027393.db2.gz XHSMEAVMEGXWNG-UHFFFAOYSA-N 1 1 286.400 2.923 20 30 CFEDMO C#CC[NH+](CC#C)Cc1cccc(-c2ccccn2)c1 ZINC000093475527 619028901 /nfs/dbraw/zinc/02/89/01/619028901.db2.gz OAMVPFMXJBNZCS-UHFFFAOYSA-N 1 1 260.340 2.817 20 30 CFEDMO Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c1 ZINC000909400635 619057790 /nfs/dbraw/zinc/05/77/90/619057790.db2.gz IHGDGNUWMFPJMZ-HOTGVXAUSA-N 1 1 283.375 2.822 20 30 CFEDMO C#C[C@@H](OC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000091888023 619068766 /nfs/dbraw/zinc/06/87/66/619068766.db2.gz JXWFDWQXAIQOKU-DLBZAZTESA-N 1 1 283.371 2.606 20 30 CFEDMO C#C[C@@H](OC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000091888023 619068769 /nfs/dbraw/zinc/06/87/69/619068769.db2.gz JXWFDWQXAIQOKU-DLBZAZTESA-N 1 1 283.371 2.606 20 30 CFEDMO O=C(C#CC1CC1)N1CCC[N@@H+](CCCC2CCC2)CC1 ZINC000981126472 619116978 /nfs/dbraw/zinc/11/69/78/619116978.db2.gz WWABXQPRTXPQDA-UHFFFAOYSA-N 1 1 288.435 2.514 20 30 CFEDMO CC(C)[N@H+](C)CCN[C@H](C)c1ccc(OCC#N)cc1 ZINC000054111237 619138693 /nfs/dbraw/zinc/13/86/93/619138693.db2.gz WTFSWUQWPZNTDX-CQSZACIVSA-N 1 1 275.396 2.580 20 30 CFEDMO CC(C)[N@@H+](C)CCN[C@H](C)c1ccc(OCC#N)cc1 ZINC000054111237 619138694 /nfs/dbraw/zinc/13/86/94/619138694.db2.gz WTFSWUQWPZNTDX-CQSZACIVSA-N 1 1 275.396 2.580 20 30 CFEDMO Cc1nc([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3C)C2)no1 ZINC000931936899 619163485 /nfs/dbraw/zinc/16/34/85/619163485.db2.gz HUYYQHPWVCOQRT-OAHLLOKOSA-N 1 1 282.347 2.548 20 30 CFEDMO Cn1nccc1[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000932263098 619221820 /nfs/dbraw/zinc/22/18/20/619221820.db2.gz AYXVNGGCFNISTR-QGZVFWFLSA-N 1 1 265.360 2.609 20 30 CFEDMO Cn1nccc1[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000932263098 619221822 /nfs/dbraw/zinc/22/18/22/619221822.db2.gz AYXVNGGCFNISTR-QGZVFWFLSA-N 1 1 265.360 2.609 20 30 CFEDMO CC(C)C[N@H+](CCC#N)Cc1ccc2oc(=O)oc2c1 ZINC000893879971 619234499 /nfs/dbraw/zinc/23/44/99/619234499.db2.gz FRADIEANEYRQIM-UHFFFAOYSA-N 1 1 274.320 2.758 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc2oc(=O)oc2c1 ZINC000893879971 619234500 /nfs/dbraw/zinc/23/45/00/619234500.db2.gz FRADIEANEYRQIM-UHFFFAOYSA-N 1 1 274.320 2.758 20 30 CFEDMO CO[C@H]1CC[N@@H+](Cc2csc(C#N)c2)[C@H](C)C1 ZINC000894255496 619287001 /nfs/dbraw/zinc/28/70/01/619287001.db2.gz ZWXSEEMNKCECLP-PWSUYJOCSA-N 1 1 250.367 2.619 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)Cc1[nH]nc(C)c1C ZINC000894423564 619380562 /nfs/dbraw/zinc/38/05/62/619380562.db2.gz WSWPTKOPBNAIKC-UHFFFAOYSA-N 1 1 259.353 2.850 20 30 CFEDMO CCn1cc(C[NH2+]C[C@H](C)C#N)c(-c2ccccc2)n1 ZINC000894452904 619389391 /nfs/dbraw/zinc/38/93/91/619389391.db2.gz NCXNZWBBQNPXRV-CYBMUJFWSA-N 1 1 268.364 2.819 20 30 CFEDMO C#CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CCCC1 ZINC000093819766 619394381 /nfs/dbraw/zinc/39/43/81/619394381.db2.gz DHNBLICCTIOZGO-UHFFFAOYSA-N 1 1 298.430 2.901 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1cccc2c1NCCC2 ZINC000894547644 619417339 /nfs/dbraw/zinc/41/73/39/619417339.db2.gz IJRJTRMGZXKSRJ-UHFFFAOYSA-N 1 1 260.381 2.679 20 30 CFEDMO C#C[C@@H]([NH2+][C@@H](C)COC(C)=O)c1ccc(Cl)cc1 ZINC000894553383 619418205 /nfs/dbraw/zinc/41/82/05/619418205.db2.gz OXRAZVJGIXFRTC-IINYFYTJSA-N 1 1 265.740 2.556 20 30 CFEDMO N#Cc1ccc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(CO)c1 ZINC000894655993 619437184 /nfs/dbraw/zinc/43/71/84/619437184.db2.gz NJHYVFZNNZRLIC-INIZCTEOSA-N 1 1 299.418 2.584 20 30 CFEDMO C[N@H+](Cc1csc(C#N)c1)[C@H](CO)c1ccccc1 ZINC000894695644 619445456 /nfs/dbraw/zinc/44/54/56/619445456.db2.gz RFZOAEYJBOGUIG-OAHLLOKOSA-N 1 1 272.373 2.785 20 30 CFEDMO C[N@@H+](Cc1csc(C#N)c1)[C@H](CO)c1ccccc1 ZINC000894695644 619445458 /nfs/dbraw/zinc/44/54/58/619445458.db2.gz RFZOAEYJBOGUIG-OAHLLOKOSA-N 1 1 272.373 2.785 20 30 CFEDMO C=CCC[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)C(=O)OCC ZINC000894759318 619456475 /nfs/dbraw/zinc/45/64/75/619456475.db2.gz VUCARLIEGZGPFH-UUCFBXCCSA-N 1 1 295.423 2.822 20 30 CFEDMO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C(C)(C)C#N)cc2)[nH]1 ZINC000894776406 619460530 /nfs/dbraw/zinc/46/05/30/619460530.db2.gz DLDPGXCMFSISEY-NSHDSACASA-N 1 1 283.379 2.765 20 30 CFEDMO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[nH]1 ZINC000894775951 619461553 /nfs/dbraw/zinc/46/15/53/619461553.db2.gz BCPIZQKHWJJUDJ-NSHDSACASA-N 1 1 281.363 2.519 20 30 CFEDMO C=C1CCC(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000909408524 619480382 /nfs/dbraw/zinc/48/03/82/619480382.db2.gz HQRWMBMVJPIBCD-QGZVFWFLSA-N 1 1 284.403 2.906 20 30 CFEDMO Cc1cc(F)c(C#N)c(N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000895021719 619528764 /nfs/dbraw/zinc/52/87/64/619528764.db2.gz JKFDCBPAAQCYKZ-DOMZBBRYSA-N 1 1 273.355 2.536 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000895562976 619556227 /nfs/dbraw/zinc/55/62/27/619556227.db2.gz POFBSVJDYZEOJW-OAHLLOKOSA-N 1 1 259.397 2.926 20 30 CFEDMO C=C(C)C[C@@H]([NH2+][C@@H](C)C1CC(F)(F)C1)C(=O)OCC ZINC000895592037 619565312 /nfs/dbraw/zinc/56/53/12/619565312.db2.gz KOUCWQJQQBFZNA-CMPLNLGQSA-N 1 1 275.339 2.908 20 30 CFEDMO C=C(C)C[C@H]([NH2+][C@H](C)C1CC(F)(F)C1)C(=O)OCC ZINC000895592039 619565434 /nfs/dbraw/zinc/56/54/34/619565434.db2.gz 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C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C)n3)CCC[C@H]12 ZINC000989963681 620405803 /nfs/dbraw/zinc/40/58/03/620405803.db2.gz OGXIKDCWJSKQIN-WMZOPIPTSA-N 1 1 299.418 2.693 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CC3CCC3)CCC[C@@H]12 ZINC000990080748 620408070 /nfs/dbraw/zinc/40/80/70/620408070.db2.gz IACKABMZFARFPZ-WBVHZDCISA-N 1 1 276.424 2.866 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C3CC=CC3)CCC[C@@H]12 ZINC000990095454 620408604 /nfs/dbraw/zinc/40/86/04/620408604.db2.gz IHHVFPHHJYSGTA-NVXWUHKLSA-N 1 1 274.408 2.642 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C3CC(C)C3)CCC[C@H]12 ZINC000990176692 620411313 /nfs/dbraw/zinc/41/13/13/620411313.db2.gz OULZHGUPIVRAAR-NXBBGVRRSA-N 1 1 296.842 2.898 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C3CC(C)C3)CCC[C@H]12 ZINC000990176692 620411314 /nfs/dbraw/zinc/41/13/14/620411314.db2.gz OULZHGUPIVRAAR-NXBBGVRRSA-N 1 1 296.842 2.898 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C=C3CCC3)CCC[C@@H]12 ZINC000990191998 620412083 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C=C1CCC(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000899135076 620523339 /nfs/dbraw/zinc/52/33/39/620523339.db2.gz WXCVRNIFTMGIMO-CQSZACIVSA-N 1 1 264.413 2.581 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000899159322 620525303 /nfs/dbraw/zinc/52/53/03/620525303.db2.gz SBEYZCCEFNUCTF-UHFFFAOYSA-N 1 1 299.418 2.779 20 30 CFEDMO C[N@H+]1CC[C@H](CC(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000899221462 620534977 /nfs/dbraw/zinc/53/49/77/620534977.db2.gz JGGRPQWSNALHLC-GFCCVEGCSA-N 1 1 283.375 2.716 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899511896 620576598 /nfs/dbraw/zinc/57/65/98/620576598.db2.gz XAMRVKKHMJOABW-INIZCTEOSA-N 1 1 288.395 2.672 20 30 CFEDMO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H]2C2CCCC2)CCC1 ZINC000899912116 620612443 /nfs/dbraw/zinc/61/24/43/620612443.db2.gz BIESGRCSMPKDON-LSDHHAIUSA-N 1 1 262.397 2.696 20 30 CFEDMO C[C@@H]1Cc2cc(C[NH2+]C[C@@H](C#N)CCC#N)ccc2O1 ZINC000901565693 620859157 /nfs/dbraw/zinc/85/91/57/620859157.db2.gz NNUPOPABXIEWJB-TZMCWYRMSA-N 1 1 269.348 2.543 20 30 CFEDMO C[N@@H+]1CCO[C@H](CSCCCCC2(C#N)CCC2)C1 ZINC000901574515 620866917 /nfs/dbraw/zinc/86/69/17/620866917.db2.gz ZSXVGSPIKWSSNL-AWEZNQCLSA-N 1 1 282.453 2.914 20 30 CFEDMO C[N@H+]1CCO[C@H](CSCCCCC2(C#N)CCC2)C1 ZINC000901574515 620866920 /nfs/dbraw/zinc/86/69/20/620866920.db2.gz ZSXVGSPIKWSSNL-AWEZNQCLSA-N 1 1 282.453 2.914 20 30 CFEDMO C=CC[C@@H]([NH2+]CC[C@H]1CCC(F)(F)C1)C(=O)OC ZINC000901671866 620888986 /nfs/dbraw/zinc/88/89/86/620888986.db2.gz FVRSZINZNHVHHT-GHMZBOCLSA-N 1 1 261.312 2.519 20 30 CFEDMO C=CC[N@@H+](CN1C[C@H](c2ccc(F)cc2)CC1=O)C1CC1 ZINC000902211631 620994128 /nfs/dbraw/zinc/99/41/28/620994128.db2.gz ZLKBEAWTJAXERQ-CQSZACIVSA-N 1 1 288.366 2.750 20 30 CFEDMO C=CC[N@H+](CN1C[C@H](c2ccc(F)cc2)CC1=O)C1CC1 ZINC000902211631 620994129 /nfs/dbraw/zinc/99/41/29/620994129.db2.gz ZLKBEAWTJAXERQ-CQSZACIVSA-N 1 1 288.366 2.750 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CO[NH+]=C(N)C1CCOCC1 ZINC000902254249 621006351 /nfs/dbraw/zinc/00/63/51/621006351.db2.gz YGBONZXDAPPKCF-UHFFFAOYSA-N 1 1 287.363 2.600 20 30 CFEDMO C[C@H](CN(C)C(=O)OC(C)(C)C)C(N)=[NH+]OC1CCCC1 ZINC000183256415 625453577 /nfs/dbraw/zinc/45/35/77/625453577.db2.gz VWQQRBVNLJMEEG-LLVKDONJSA-N 1 1 299.415 2.721 20 30 CFEDMO CCn1cnc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)c1 ZINC000902601443 621133055 /nfs/dbraw/zinc/13/30/55/621133055.db2.gz OMMWZOIFKUUKKL-KRWDZBQOSA-N 1 1 280.375 2.942 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+](C)[C@@H]2CC[C@H]2OC)c1O ZINC000902636516 621140466 /nfs/dbraw/zinc/14/04/66/621140466.db2.gz FKQHDEOLPJRGJZ-HZPDHXFCSA-N 1 1 291.391 2.739 20 30 CFEDMO C=CCCC[N@H+](CC)CN1C(=O)C(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000902669994 621148116 /nfs/dbraw/zinc/14/81/16/621148116.db2.gz WLGHBHXAMDNDSF-GJZGRUSLSA-N 1 1 294.439 2.648 20 30 CFEDMO CC[C@H](NC[C@H](C1CC1)[NH+](C)C)c1cccc(C#N)c1 ZINC000902756262 621165606 /nfs/dbraw/zinc/16/56/06/621165606.db2.gz DPPPOUACZPFNJG-DLBZAZTESA-N 1 1 271.408 2.939 20 30 CFEDMO CCCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000902766281 621169196 /nfs/dbraw/zinc/16/91/96/621169196.db2.gz HDXZQUQPNGWAQW-STQMWFEESA-N 1 1 283.379 2.972 20 30 CFEDMO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902830914 621186488 /nfs/dbraw/zinc/18/64/88/621186488.db2.gz UCNQFCLKLGDEAK-GUYCJALGSA-N 1 1 281.359 2.646 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cc(C#N)ccn1 ZINC000902877242 621197376 /nfs/dbraw/zinc/19/73/76/621197376.db2.gz MBPHAIRDSIQDKI-LAJNKCICSA-N 1 1 299.399 2.541 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cc(C#N)ccn1 ZINC000902877243 621197460 /nfs/dbraw/zinc/19/74/60/621197460.db2.gz MBPHAIRDSIQDKI-QKVFXAPYSA-N 1 1 299.399 2.541 20 30 CFEDMO Cc1cccc([C@H]2CC[N@H+](CCO[C@H](C)C#N)C2)c1 ZINC000801939005 621214692 /nfs/dbraw/zinc/21/46/92/621214692.db2.gz OOCLOFAYYBKWFG-ZBFHGGJFSA-N 1 1 258.365 2.713 20 30 CFEDMO CC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1 ZINC000902992771 621219883 /nfs/dbraw/zinc/21/98/83/621219883.db2.gz LZEYUDFAYNOSNA-GJZGRUSLSA-N 1 1 280.375 2.880 20 30 CFEDMO N#CC1(CCC[N@@H+]2CCC[C@@H](F)C2)CCOCC1 ZINC000902994659 621220591 /nfs/dbraw/zinc/22/05/91/621220591.db2.gz GVZUXGYHWWFIMY-CYBMUJFWSA-N 1 1 254.349 2.521 20 30 CFEDMO CCCn1cc([C@@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)nn1 ZINC000902974769 621221475 /nfs/dbraw/zinc/22/14/75/621221475.db2.gz BANLNWGEGGRISK-WBMJQRKESA-N 1 1 295.390 2.898 20 30 CFEDMO C[C@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cn(C)nn1 ZINC000903001232 621225640 /nfs/dbraw/zinc/22/56/40/621225640.db2.gz RHGIYFYCXDDGDW-DZGCQCFKSA-N 1 1 283.379 2.901 20 30 CFEDMO Cc1cc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)ccn1 ZINC000903005314 621227880 /nfs/dbraw/zinc/22/78/80/621227880.db2.gz RVKKFUGBZQWSPG-LBPRGKRZSA-N 1 1 252.321 2.508 20 30 CFEDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000903031031 621229675 /nfs/dbraw/zinc/22/96/75/621229675.db2.gz AMCOERXPINLRDN-NSHDSACASA-N 1 1 288.347 2.523 20 30 CFEDMO COCCc1nc(C)c([C@H](C)[NH2+]CC2(C#N)CCC2)s1 ZINC000903033261 621230326 /nfs/dbraw/zinc/23/03/26/621230326.db2.gz RKBXUPFRSCJGAS-NSHDSACASA-N 1 1 293.436 2.985 20 30 CFEDMO COc1ccc(F)c(C[NH2+][C@H](C)c2cc(C#N)ccn2)c1 ZINC000903059318 621237104 /nfs/dbraw/zinc/23/71/04/621237104.db2.gz OZPYHOHMYOTULB-LLVKDONJSA-N 1 1 285.322 2.952 20 30 CFEDMO C[C@H](N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(C#N)ccn1 ZINC000903044023 621239805 /nfs/dbraw/zinc/23/98/05/621239805.db2.gz JHRKOQFLSHCANB-JLJPHGGASA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@H](N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(C#N)ccn1 ZINC000903044023 621239808 /nfs/dbraw/zinc/23/98/08/621239808.db2.gz JHRKOQFLSHCANB-JLJPHGGASA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@H](N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(C#N)ccn1 ZINC000903044026 621240090 /nfs/dbraw/zinc/24/00/90/621240090.db2.gz JHRKOQFLSHCANB-YSVLISHTSA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(C#N)ccn1 ZINC000903044026 621240093 /nfs/dbraw/zinc/24/00/93/621240093.db2.gz JHRKOQFLSHCANB-YSVLISHTSA-N 1 1 284.407 2.621 20 30 CFEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)c1ccc(C#N)cc1F ZINC000903050781 621242087 /nfs/dbraw/zinc/24/20/87/621242087.db2.gz QQKOWFRMGKOVNS-HNNXBMFYSA-N 1 1 289.354 2.533 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)c1ccc(C#N)cc1F ZINC000903050781 621242088 /nfs/dbraw/zinc/24/20/88/621242088.db2.gz QQKOWFRMGKOVNS-HNNXBMFYSA-N 1 1 289.354 2.533 20 30 CFEDMO C[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccns1 ZINC000903073866 621251375 /nfs/dbraw/zinc/25/13/75/621251375.db2.gz VNTPTWLYQKDNQT-UWVGGRQHSA-N 1 1 258.350 2.822 20 30 CFEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc(N2CCOC2=O)cc1 ZINC000903100340 621252686 /nfs/dbraw/zinc/25/26/86/621252686.db2.gz OHRNTWBWKBUAMN-GFCCVEGCSA-N 1 1 287.363 2.844 20 30 CFEDMO COC(=O)c1cncc([C@H](C)[NH2+]CC2(C#N)CCCC2)c1 ZINC000903109253 621256463 /nfs/dbraw/zinc/25/64/63/621256463.db2.gz LNDMRDNISXGXKL-LBPRGKRZSA-N 1 1 287.363 2.603 20 30 CFEDMO C=CCC[C@H](NC[C@H](O)C[NH+](C)C)c1cccc(Cl)c1 ZINC000903091968 621257745 /nfs/dbraw/zinc/25/77/45/621257745.db2.gz DXGWDFQRFCBNLR-HOTGVXAUSA-N 1 1 296.842 2.859 20 30 CFEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cnn(CC2CCC2)c1 ZINC000903219525 621291917 /nfs/dbraw/zinc/29/19/17/621291917.db2.gz HQLMJNNRJTXDOW-GFCCVEGCSA-N 1 1 260.385 2.884 20 30 CFEDMO C=CCC[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1ccco1 ZINC000903420107 621377998 /nfs/dbraw/zinc/37/79/98/621377998.db2.gz LVIYSUSTQBMPAQ-CQSZACIVSA-N 1 1 287.363 2.803 20 30 CFEDMO N#CC1CCC(C[N@H+]2CCc3ccccc3[C@@H]2CN)CC1 ZINC000903460793 621381281 /nfs/dbraw/zinc/38/12/81/621381281.db2.gz IGHROQJENURVJX-JMLCCBQJSA-N 1 1 283.419 2.874 20 30 CFEDMO N#CC1CCC(CN2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000903460793 621381285 /nfs/dbraw/zinc/38/12/85/621381285.db2.gz IGHROQJENURVJX-JMLCCBQJSA-N 1 1 283.419 2.874 20 30 CFEDMO N#CC1CCC(C[N@@H+](CCN)Cc2ccccc2)CC1 ZINC000903449102 621385758 /nfs/dbraw/zinc/38/57/58/621385758.db2.gz PRLVWHIHZVWYCS-UHFFFAOYSA-N 1 1 271.408 2.777 20 30 CFEDMO N#CC1CCC(C[N@H+](CCN)Cc2ccccc2)CC1 ZINC000903449102 621385761 /nfs/dbraw/zinc/38/57/61/621385761.db2.gz PRLVWHIHZVWYCS-UHFFFAOYSA-N 1 1 271.408 2.777 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000903580483 621398478 /nfs/dbraw/zinc/39/84/78/621398478.db2.gz YOEMYAVJRSKFHW-HOCLYGCPSA-N 1 1 299.418 2.730 20 30 CFEDMO CCCCCCC[N@@H+]1CCNCCC12CCOCC2 ZINC000903816265 621443230 /nfs/dbraw/zinc/44/32/30/621443230.db2.gz XMGUQIRRTXFJHR-UHFFFAOYSA-N 1 1 268.445 2.801 20 30 CFEDMO CCCCCCC[N@H+]1CCNCCC12CCOCC2 ZINC000903816265 621443232 /nfs/dbraw/zinc/44/32/32/621443232.db2.gz XMGUQIRRTXFJHR-UHFFFAOYSA-N 1 1 268.445 2.801 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000832714299 625490799 /nfs/dbraw/zinc/49/07/99/625490799.db2.gz AXQZLKYYTVQTDS-CQSZACIVSA-N 1 1 289.423 2.863 20 30 CFEDMO C#Cc1cncc(-c2noc(C[N@H+](C)CC(C)(C)C)n2)c1 ZINC000904091477 621524154 /nfs/dbraw/zinc/52/41/54/621524154.db2.gz KDEDJFQWXUZTTA-UHFFFAOYSA-N 1 1 284.363 2.591 20 30 CFEDMO C[C@H](C(=O)N(O)Cc1cccc2ccccc21)[NH+](C)C ZINC000904173508 621542208 /nfs/dbraw/zinc/54/22/08/621542208.db2.gz SKSCKMVZFSLTSX-GFCCVEGCSA-N 1 1 272.348 2.508 20 30 CFEDMO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N(O)Cc1ccccc1Cl ZINC000904192497 621546305 /nfs/dbraw/zinc/54/63/05/621546305.db2.gz ODURNYAZKYAWOR-ZDUSSCGKSA-N 1 1 296.798 2.931 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)N(O)Cc1ccccc1Cl ZINC000904192497 621546306 /nfs/dbraw/zinc/54/63/06/621546306.db2.gz ODURNYAZKYAWOR-ZDUSSCGKSA-N 1 1 296.798 2.931 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2csc(C)n2)no1 ZINC000904531112 621605011 /nfs/dbraw/zinc/60/50/11/621605011.db2.gz XRWSARLBECVUTF-LLVKDONJSA-N 1 1 278.381 2.781 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2c[nH]c3ncccc23)no1 ZINC000904624247 621613477 /nfs/dbraw/zinc/61/34/77/621613477.db2.gz SSJZEYOUWIXTMM-ZDUSSCGKSA-N 1 1 297.362 2.893 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccsn2)no1 ZINC000904732064 621632874 /nfs/dbraw/zinc/63/28/74/621632874.db2.gz AGIWFKJEJRXVOR-MRVPVSSYSA-N 1 1 250.327 2.549 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(C2(CCOC)CCC2)no1 ZINC000904732320 621633358 /nfs/dbraw/zinc/63/33/58/621633358.db2.gz HUPIAYDWXUZSFM-GFCCVEGCSA-N 1 1 279.384 2.884 20 30 CFEDMO C[N@@H+](Cc1cn(CC2(C#N)CCCCC2)nn1)C(C)(C)C ZINC000905058335 621694915 /nfs/dbraw/zinc/69/49/15/621694915.db2.gz HSJIKAYHPAFLRK-UHFFFAOYSA-N 1 1 289.427 2.982 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000905668334 621814134 /nfs/dbraw/zinc/81/41/34/621814134.db2.gz IFKZVZXPXNRNEQ-AWEZNQCLSA-N 1 1 275.327 2.509 20 30 CFEDMO C=CC[C@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)C(=O)OC ZINC000905776776 621844909 /nfs/dbraw/zinc/84/49/09/621844909.db2.gz BSBXKAOHRHEPHN-UWVGGRQHSA-N 1 1 280.195 2.668 20 30 CFEDMO C=CC[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)C(=O)OC ZINC000905765227 621855670 /nfs/dbraw/zinc/85/56/70/621855670.db2.gz BJBKTTSXKAACSC-UONOGXRCSA-N 1 1 281.396 2.576 20 30 CFEDMO Cc1cc(C#N)ccc1Cn1cc(C[N@H+](C)C(C)(C)C)nn1 ZINC000905809312 621869960 /nfs/dbraw/zinc/86/99/60/621869960.db2.gz WWSMBKPLQXBOAO-UHFFFAOYSA-N 1 1 297.406 2.737 20 30 CFEDMO C=CC[C@@H]([NH2+]CC1CCC(SC)CC1)C(=O)OC ZINC000905844703 621886342 /nfs/dbraw/zinc/88/63/42/621886342.db2.gz AEDHIVGVQARYEP-WXRRBKDZSA-N 1 1 271.426 2.616 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)CCC1(O)CCC1 ZINC000905902789 621893258 /nfs/dbraw/zinc/89/32/58/621893258.db2.gz CLEFMZNFCGGGCQ-QGZVFWFLSA-N 1 1 289.419 2.731 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC000905921408 621901110 /nfs/dbraw/zinc/90/11/10/621901110.db2.gz JEMDQDQUHUHLJK-FMKPAKJESA-N 1 1 278.396 2.875 20 30 CFEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CCC3)[C@H]2C2CC2)CCC1 ZINC000905957737 621911740 /nfs/dbraw/zinc/91/17/40/621911740.db2.gz OSGYJWLQOZGRMR-LSDHHAIUSA-N 1 1 274.408 2.696 20 30 CFEDMO C[C@@H](CNC(=O)c1ccsc1C#N)[N@H+]1CCCC[C@H]1C ZINC000906150015 621940436 /nfs/dbraw/zinc/94/04/36/621940436.db2.gz JCKFNRFUMJHISZ-NEPJUHHUSA-N 1 1 291.420 2.612 20 30 CFEDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc(C)c1C#N ZINC000906198597 621958176 /nfs/dbraw/zinc/95/81/76/621958176.db2.gz HCTCZJFVADUUTP-IAGOWNOFSA-N 1 1 297.402 2.532 20 30 CFEDMO C=CCC[N@@H+](C)Cc1cn(-c2ccc(C)cc2)nn1 ZINC000906292190 621970288 /nfs/dbraw/zinc/97/02/88/621970288.db2.gz DROZUYLOADTWQI-UHFFFAOYSA-N 1 1 256.353 2.584 20 30 CFEDMO C=CCC[N@H+](C)Cc1cn(-c2ccc(C)cc2)nn1 ZINC000906292190 621970289 /nfs/dbraw/zinc/97/02/89/621970289.db2.gz DROZUYLOADTWQI-UHFFFAOYSA-N 1 1 256.353 2.584 20 30 CFEDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc(C)c1C#N ZINC000906436376 621986150 /nfs/dbraw/zinc/98/61/50/621986150.db2.gz QLWOJFGNXBSSBA-OAHLLOKOSA-N 1 1 299.418 2.635 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cccc(CC)n3)CCC[C@@H]12 ZINC000991086858 622063508 /nfs/dbraw/zinc/06/35/08/622063508.db2.gz DHOKNZRHLQSASM-SJLPKXTDSA-N 1 1 299.418 2.557 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000907137451 622090116 /nfs/dbraw/zinc/09/01/16/622090116.db2.gz RAYMLIMIPWDJLO-INIZCTEOSA-N 1 1 297.402 2.569 20 30 CFEDMO C=C(CNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)c1ccccc1 ZINC000908207998 622204673 /nfs/dbraw/zinc/20/46/73/622204673.db2.gz WBHWHXAUKNXZSV-IAGOWNOFSA-N 1 1 284.403 2.833 20 30 CFEDMO CCN(CC)c1ccc(C[NH2+]C[C@@H](C)C#N)cc1F ZINC000183836711 625548322 /nfs/dbraw/zinc/54/83/22/625548322.db2.gz LMSFHTCLRQTWHB-LBPRGKRZSA-N 1 1 263.360 2.921 20 30 CFEDMO C=C(C)Cn1c(C(C)C)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC000909241936 622327341 /nfs/dbraw/zinc/32/73/41/622327341.db2.gz OBBSKBGFUMTBHX-UHFFFAOYSA-N 1 1 291.443 2.508 20 30 CFEDMO C#CC[N@H+](CC(=O)N1[C@H](C)CCC[C@H]1C)C1CCCC1 ZINC000155840086 622468991 /nfs/dbraw/zinc/46/89/91/622468991.db2.gz LUBXLRHKXLMEOG-HUUCEWRRSA-N 1 1 276.424 2.654 20 30 CFEDMO C=CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)c1ccncc1 ZINC000820018587 622598775 /nfs/dbraw/zinc/59/87/75/622598775.db2.gz SWBXPBPXCQLEOF-HNNXBMFYSA-N 1 1 289.423 2.793 20 30 CFEDMO CC[N@@H+]1[C@H](C)CN(C(=O)/C=C/c2ccccc2C#N)C[C@@H]1C ZINC000912027427 622608296 /nfs/dbraw/zinc/60/82/96/622608296.db2.gz QKQJMRWPYDGRNL-COAGHLHKSA-N 1 1 297.402 2.513 20 30 CFEDMO C=CC[C@@H]1CCCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000912389521 622703490 /nfs/dbraw/zinc/70/34/90/622703490.db2.gz UNHVTPADEYDGIF-BZUAXINKSA-N 1 1 276.424 2.818 20 30 CFEDMO C=CCCC(C)(C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000912728606 622769752 /nfs/dbraw/zinc/76/97/52/622769752.db2.gz HTACDJIDPNCVSZ-KBPBESRZSA-N 1 1 264.413 2.864 20 30 CFEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)Cc3ccccc3)CCC[C@H]12 ZINC000991413212 622786220 /nfs/dbraw/zinc/78/62/20/622786220.db2.gz FBJUBTICMXZJOQ-HKUYNNGSSA-N 1 1 298.430 2.918 20 30 CFEDMO C=CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000912983698 622812228 /nfs/dbraw/zinc/81/22/28/622812228.db2.gz GFAZZLTZXKMDPV-LSDHHAIUSA-N 1 1 264.413 2.533 20 30 CFEDMO C=C[C@H](CC)CC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000821026335 622824840 /nfs/dbraw/zinc/82/48/40/622824840.db2.gz VSAOVEHGYCKJGM-ZBFHGGJFSA-N 1 1 264.413 2.533 20 30 CFEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000913096451 622833686 /nfs/dbraw/zinc/83/36/86/622833686.db2.gz ARSRFWRDCIWZOL-SJLPKXTDSA-N 1 1 298.430 2.817 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CC3CC(F)(F)C3)CCC[C@@H]12 ZINC000991445400 622876188 /nfs/dbraw/zinc/87/61/88/622876188.db2.gz ICFGVAOFOWRDPS-UKRRQHHQSA-N 1 1 298.377 2.721 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)CC3CC(F)(F)C3)CCC[C@@H]12 ZINC000991445397 622877020 /nfs/dbraw/zinc/87/70/20/622877020.db2.gz ICFGVAOFOWRDPS-HIFRSBDPSA-N 1 1 298.377 2.721 20 30 CFEDMO CCCCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000821305723 622890450 /nfs/dbraw/zinc/89/04/50/622890450.db2.gz AZEALPRVKVZTQP-AWEZNQCLSA-N 1 1 254.418 2.805 20 30 CFEDMO CC[N@@H+](C[C@H]1CCC(=O)O1)[C@H](C)c1ccc(C#N)cc1 ZINC000821362734 622905009 /nfs/dbraw/zinc/90/50/09/622905009.db2.gz OUWSSKMCVOVYMG-IUODEOHRSA-N 1 1 272.348 2.647 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CC/C=C/CC)c1 ZINC000184455214 625604659 /nfs/dbraw/zinc/60/46/59/625604659.db2.gz JOZNCYHRZXVYOY-VOTSOKGWSA-N 1 1 270.376 2.895 20 30 CFEDMO CC(C)CC[N@H+](CCC#N)Cc1ccc2nonc2c1 ZINC000821380064 622909266 /nfs/dbraw/zinc/90/92/66/622909266.db2.gz NHXDFCLEYSWHRJ-UHFFFAOYSA-N 1 1 272.352 2.985 20 30 CFEDMO CC(C)CC[N@@H+](CCC#N)Cc1ccc2nonc2c1 ZINC000821380064 622909269 /nfs/dbraw/zinc/90/92/69/622909269.db2.gz NHXDFCLEYSWHRJ-UHFFFAOYSA-N 1 1 272.352 2.985 20 30 CFEDMO C=CCc1cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)c(O)c(OC)c1 ZINC000164514742 622958037 /nfs/dbraw/zinc/95/80/37/622958037.db2.gz FMERKMANNOZEEN-QWHCGFSZSA-N 1 1 291.391 2.739 20 30 CFEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000166721951 623028447 /nfs/dbraw/zinc/02/84/47/623028447.db2.gz LOTLHXOMESCABM-FHIRATQRSA-N 1 1 272.392 2.958 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652614 623044234 /nfs/dbraw/zinc/04/42/34/623044234.db2.gz FJMUWJRUXQCEHG-OFQRWUPVSA-N 1 1 287.407 2.722 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652614 623044237 /nfs/dbraw/zinc/04/42/37/623044237.db2.gz FJMUWJRUXQCEHG-OFQRWUPVSA-N 1 1 287.407 2.722 20 30 CFEDMO C#CCOc1ccc([C@H](C)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000157680309 623048775 /nfs/dbraw/zinc/04/87/75/623048775.db2.gz VRBUDGUBRFYEHJ-YJBOKZPZSA-N 1 1 298.430 2.834 20 30 CFEDMO C#CCOc1ccc([C@H](C)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000157680309 623048779 /nfs/dbraw/zinc/04/87/79/623048779.db2.gz VRBUDGUBRFYEHJ-YJBOKZPZSA-N 1 1 298.430 2.834 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)s1)C[C@@](C)(O)c1ccccc1 ZINC000822516318 623120157 /nfs/dbraw/zinc/12/01/57/623120157.db2.gz KYHKAXKJPYSYLE-MRXNPFEDSA-N 1 1 286.400 2.959 20 30 CFEDMO C=C[C@H](CC)CC(=O)N1CCC[N@@H+](CC)C[C@H]1C ZINC000822569393 623127924 /nfs/dbraw/zinc/12/79/24/623127924.db2.gz SHFOMSIVRHPCHF-ZIAGYGMSSA-N 1 1 252.402 2.531 20 30 CFEDMO NC(=[NH+]OCCOc1ccc(F)cc1)C1CCCC1 ZINC000060741942 623151146 /nfs/dbraw/zinc/15/11/46/623151146.db2.gz SQQDDJDWGQINSZ-UHFFFAOYSA-N 1 1 266.316 2.684 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000822700825 623154482 /nfs/dbraw/zinc/15/44/82/623154482.db2.gz IBDWFBWIQLXZPI-LBPRGKRZSA-N 1 1 281.319 2.912 20 30 CFEDMO COc1cc(-c2noc([C@H]([NH3+])CCCC#N)n2)ccc1C ZINC000822728893 623161168 /nfs/dbraw/zinc/16/11/68/623161168.db2.gz PGQQASBEBRROPZ-GFCCVEGCSA-N 1 1 286.335 2.747 20 30 CFEDMO COc1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)cc1C ZINC000822785707 623174607 /nfs/dbraw/zinc/17/46/07/623174607.db2.gz ZIPZSVIMEIDBNF-LBPRGKRZSA-N 1 1 286.335 2.747 20 30 CFEDMO Cc1cc(-c2noc([C@@H]([NH3+])CCCC#N)n2)cc2[nH]cnc21 ZINC000822827109 623183045 /nfs/dbraw/zinc/18/30/45/623183045.db2.gz MJMBAXTUILYCTM-NSHDSACASA-N 1 1 296.334 2.615 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)C2(CC=C)CCCCC2)CC1 ZINC000822934393 623205620 /nfs/dbraw/zinc/20/56/20/623205620.db2.gz CWLVEBXDWRIVNI-UHFFFAOYSA-N 1 1 288.435 2.681 20 30 CFEDMO C=CC[N@H+](CCC)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000171611079 623233450 /nfs/dbraw/zinc/23/34/50/623233450.db2.gz LNQLJYUIXPHAOK-ZDUSSCGKSA-N 1 1 268.401 2.894 20 30 CFEDMO Cc1nc2c(cccc2-c2noc([C@@H]([NH3+])CCCC#N)n2)[nH]1 ZINC000823186220 623256894 /nfs/dbraw/zinc/25/68/94/623256894.db2.gz YOSSTQKYMCJCBY-NSHDSACASA-N 1 1 296.334 2.615 20 30 CFEDMO CC(C)C#CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000823203739 623260984 /nfs/dbraw/zinc/26/09/84/623260984.db2.gz OTDLSIHBURVPQO-UHFFFAOYSA-N 1 1 290.451 2.760 20 30 CFEDMO C=C(C)COCC[NH2+]Cc1occc1Br ZINC000230224466 623264335 /nfs/dbraw/zinc/26/43/35/623264335.db2.gz VMJZCZUCCJVRML-UHFFFAOYSA-N 1 1 274.158 2.724 20 30 CFEDMO C#CCCC[N@@H+]1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C ZINC000823509191 623337470 /nfs/dbraw/zinc/33/74/70/623337470.db2.gz IOHNGUYHOJUYQF-UONOGXRCSA-N 1 1 265.397 2.842 20 30 CFEDMO CC(C)CCC(N)=[NH+]OCc1nc(CCC(C)C)no1 ZINC000173463186 623348335 /nfs/dbraw/zinc/34/83/35/623348335.db2.gz WHVHVSMBNNCYQL-UHFFFAOYSA-N 1 1 282.388 2.883 20 30 CFEDMO CCCCC(N)=[NH+]OCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000063460020 623352241 /nfs/dbraw/zinc/35/22/41/623352241.db2.gz NYHANNLORCLCOG-UHFFFAOYSA-N 1 1 281.312 2.582 20 30 CFEDMO C#CCOc1ccccc1CNC[C@@H]1CCC[N@H+](CC)C1 ZINC000063917642 623403867 /nfs/dbraw/zinc/40/38/67/623403867.db2.gz KFKWQSJDCJQJER-INIZCTEOSA-N 1 1 286.419 2.520 20 30 CFEDMO C=C(Br)C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000174332995 623409338 /nfs/dbraw/zinc/40/93/38/623409338.db2.gz NAUXHSFWNOBQRG-JTQLQIEISA-N 1 1 264.232 2.968 20 30 CFEDMO C=C(Br)C[N@H+]1CCS[C@H](C(C)C)C1 ZINC000174332995 623409341 /nfs/dbraw/zinc/40/93/41/623409341.db2.gz NAUXHSFWNOBQRG-JTQLQIEISA-N 1 1 264.232 2.968 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CCCC2(C1)OCCO2 ZINC000232527793 623424243 /nfs/dbraw/zinc/42/42/43/623424243.db2.gz MZACAWJJQODRGG-UHFFFAOYSA-N 1 1 266.385 2.545 20 30 CFEDMO C#CC[NH+](CC#C)Cc1ccc(OCC)c(OCC)c1 ZINC000174524731 623426066 /nfs/dbraw/zinc/42/60/66/623426066.db2.gz DECQGYYFJPQLJM-UHFFFAOYSA-N 1 1 271.360 2.552 20 30 CFEDMO C=CC[N@H+]1CC[C@H](NC(=O)CC2CC(c3ccccc3)C2)C1 ZINC001015004453 623449536 /nfs/dbraw/zinc/44/95/36/623449536.db2.gz PIDDROBYDPKQIC-VJFUWPCTSA-N 1 1 298.430 2.947 20 30 CFEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC3(C)C)CCC[C@H]12 ZINC000992119135 623460392 /nfs/dbraw/zinc/46/03/92/623460392.db2.gz NHIRMORVDQMIMX-RLFYNMQTSA-N 1 1 288.435 2.559 20 30 CFEDMO C#CC[N@@H+](Cc1ccc2c(c1)OCCCCO2)C1CC1 ZINC000824172481 623464098 /nfs/dbraw/zinc/46/40/98/623464098.db2.gz PBMIWGWQMCRRBR-UHFFFAOYSA-N 1 1 271.360 2.836 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C3CC4(CC4)C3)CCC[C@@H]12 ZINC000992177663 623477884 /nfs/dbraw/zinc/47/78/84/623477884.db2.gz LFKWLOLKTKTVRU-CRAIPNDOSA-N 1 1 288.435 2.866 20 30 CFEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@@H]12 ZINC000992190484 623481973 /nfs/dbraw/zinc/48/19/73/623481973.db2.gz OPRGVQSFUNFQEP-KONPQCLYSA-N 1 1 288.435 2.559 20 30 CFEDMO C=C[C@H](CC)CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000824367288 623496494 /nfs/dbraw/zinc/49/64/94/623496494.db2.gz NXODMUPWTCXTFY-QLFBSQMISA-N 1 1 264.413 2.722 20 30 CFEDMO CCCC[N@@H+](Cn1ccc(C)c(C#N)c1=O)[C@H](C)CC ZINC000758207004 623501761 /nfs/dbraw/zinc/50/17/61/623501761.db2.gz PVLDLZFDNMVJID-CQSZACIVSA-N 1 1 275.396 2.887 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC34CC4)CCC[C@@H]12 ZINC000992275927 623502930 /nfs/dbraw/zinc/50/29/30/623502930.db2.gz SOJBQQYGJYPEIR-IIDMSEBBSA-N 1 1 288.435 2.866 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@@](C)(COC)C1 ZINC000824576128 623526504 /nfs/dbraw/zinc/52/65/04/623526504.db2.gz AKXBMSFKGNOODZ-QGZVFWFLSA-N 1 1 273.376 2.557 20 30 CFEDMO C=CC[N@H+](Cc1cc(C(F)(F)F)nn1C)C(C)C ZINC000824580716 623527220 /nfs/dbraw/zinc/52/72/20/623527220.db2.gz JCJCHNIARBVATF-UHFFFAOYSA-N 1 1 261.291 2.835 20 30 CFEDMO C=CC[N@@H+](Cc1cc(C(F)(F)F)nn1C)C(C)C ZINC000824580716 623527223 /nfs/dbraw/zinc/52/72/23/623527223.db2.gz JCJCHNIARBVATF-UHFFFAOYSA-N 1 1 261.291 2.835 20 30 CFEDMO C=CC[N@H+](Cc1ccnn1-c1ccncc1)C(C)C ZINC000824581450 623528783 /nfs/dbraw/zinc/52/87/83/623528783.db2.gz RYDAUQRPOYAFMB-UHFFFAOYSA-N 1 1 256.353 2.664 20 30 CFEDMO C=CC[N@@H+](Cc1ccnn1-c1ccncc1)C(C)C ZINC000824581450 623528786 /nfs/dbraw/zinc/52/87/86/623528786.db2.gz RYDAUQRPOYAFMB-UHFFFAOYSA-N 1 1 256.353 2.664 20 30 CFEDMO CC1(CC(F)(F)F)C[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000834392596 625657325 /nfs/dbraw/zinc/65/73/25/625657325.db2.gz FTFDMQWAOVENJM-CYBMUJFWSA-N 1 1 298.308 2.866 20 30 CFEDMO C[C@@H](CC#N)[N@@H+](C)Cc1ccc(Br)cc1O ZINC000824713281 623550275 /nfs/dbraw/zinc/55/02/75/623550275.db2.gz DWXPHKNJSJCBHE-VIFPVBQESA-N 1 1 283.169 2.889 20 30 CFEDMO C#CCCCC(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000759596302 623557176 /nfs/dbraw/zinc/55/71/76/623557176.db2.gz CWSQCJLUQHPODW-CQSZACIVSA-N 1 1 275.348 2.591 20 30 CFEDMO N#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000913687441 623560299 /nfs/dbraw/zinc/56/02/99/623560299.db2.gz JWZCHSQPIIPPHN-IRXDYDNUSA-N 1 1 297.402 2.556 20 30 CFEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000913686745 623560350 /nfs/dbraw/zinc/56/03/50/623560350.db2.gz TVDBKLMSYMSLJK-HOTGVXAUSA-N 1 1 284.403 2.684 20 30 CFEDMO C=CC(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1 ZINC000913686745 623560353 /nfs/dbraw/zinc/56/03/53/623560353.db2.gz TVDBKLMSYMSLJK-HOTGVXAUSA-N 1 1 284.403 2.684 20 30 CFEDMO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000824772434 623561888 /nfs/dbraw/zinc/56/18/88/623561888.db2.gz JHDOSAUEMLDOBG-CHWSQXEVSA-N 1 1 252.402 2.578 20 30 CFEDMO C=C(CC[NH+](C)C)C(=O)Nc1nc2ccc(Cl)cc2[nH]1 ZINC000913809720 623595876 /nfs/dbraw/zinc/59/58/76/623595876.db2.gz ZOTYQLCJOKMQLW-UHFFFAOYSA-N 1 1 292.770 2.663 20 30 CFEDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000825005069 623603214 /nfs/dbraw/zinc/60/32/14/623603214.db2.gz CLHCEXTVLZGKCX-GFCCVEGCSA-N 1 1 284.363 2.634 20 30 CFEDMO C#Cc1ccc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1 ZINC000825016679 623606294 /nfs/dbraw/zinc/60/62/94/623606294.db2.gz GJOICMWQZYLOBP-WFASDCNBSA-N 1 1 251.333 2.660 20 30 CFEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccc(C)cc3C)CCC[C@@H]12 ZINC000992487775 623614372 /nfs/dbraw/zinc/61/43/72/623614372.db2.gz ISDIXJZLDPCJMG-IEBWSBKVSA-N 1 1 296.414 2.663 20 30 CFEDMO CCc1nc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)co1 ZINC000825051155 623617301 /nfs/dbraw/zinc/61/73/01/623617301.db2.gz WSPBFZZPTCAGMY-UHFFFAOYSA-N 1 1 298.390 2.877 20 30 CFEDMO C#CCOc1ccc(C[NH2+]Cc2cnc(CCC)o2)cc1 ZINC000825085352 623626039 /nfs/dbraw/zinc/62/60/39/623626039.db2.gz KBRBESIRNDOEGM-UHFFFAOYSA-N 1 1 284.359 2.929 20 30 CFEDMO C=C1CC(C)(C(=O)N2CC[NH2+][C@@H](c3ccccc3C)C2)C1 ZINC000825154315 623641616 /nfs/dbraw/zinc/64/16/16/623641616.db2.gz SSARWUATEIQIAF-MRXNPFEDSA-N 1 1 284.403 2.824 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2COC)cc1 ZINC000825294560 623665599 /nfs/dbraw/zinc/66/55/99/623665599.db2.gz TURKMNOGPUHIHQ-MRXNPFEDSA-N 1 1 273.376 2.700 20 30 CFEDMO C#CCN(C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)C(C)C ZINC000914099748 623694622 /nfs/dbraw/zinc/69/46/22/623694622.db2.gz JKBVRQDIKJOXTK-INIZCTEOSA-N 1 1 293.455 2.552 20 30 CFEDMO C=C1CCC(CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000914150846 623713843 /nfs/dbraw/zinc/71/38/43/623713843.db2.gz RZKZKAAQHTUDHK-HZPDHXFCSA-N 1 1 291.439 2.659 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CCCC2)[C@H]1C ZINC000992943713 623815252 /nfs/dbraw/zinc/81/52/52/623815252.db2.gz KQRKTWPLMPYYSW-UKRRQHHQSA-N 1 1 264.413 2.722 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C2CCCC2)[C@@H]1C ZINC000992943709 623815824 /nfs/dbraw/zinc/81/58/24/623815824.db2.gz KQRKTWPLMPYYSW-DZGCQCFKSA-N 1 1 264.413 2.722 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)s2)[C@@H]1C ZINC000992967761 623821271 /nfs/dbraw/zinc/82/12/71/623821271.db2.gz OITAUBHDSGDLFI-KBPBESRZSA-N 1 1 290.432 2.663 20 30 CFEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)c2ccco2)[C@H]1C ZINC000992972815 623823336 /nfs/dbraw/zinc/82/33/36/623823336.db2.gz ZPICDQXKHXOOKH-KGLIPLIRSA-N 1 1 276.380 2.829 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C)s2)[C@@H]1C ZINC000992984833 623829306 /nfs/dbraw/zinc/82/93/06/623829306.db2.gz 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/nfs/dbraw/zinc/88/69/14/623886914.db2.gz QBCCARLFGVAOKL-STQMWFEESA-N 1 1 293.436 2.610 20 30 CFEDMO COC(=O)/C=C\c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000826861293 623896335 /nfs/dbraw/zinc/89/63/35/623896335.db2.gz DLJZJCIKEQDANT-FWWRYZNZSA-N 1 1 288.347 2.591 20 30 CFEDMO Cc1[nH+]c(C=NNc2ccc([N+](=O)[O-])cc2)c2ccccn12 ZINC000914601559 623905362 /nfs/dbraw/zinc/90/53/62/623905362.db2.gz WLIYQXDNHFVIAY-UHFFFAOYSA-N 1 1 295.302 2.997 20 30 CFEDMO Cc1[nH+]c(C=NNCc2ccccc2)c2ccccn12 ZINC000914599721 623906479 /nfs/dbraw/zinc/90/64/79/623906479.db2.gz LAUFPLFEWSNUDH-UHFFFAOYSA-N 1 1 264.332 2.766 20 30 CFEDMO CCOCOc1ccc(C[NH2+][C@H](CC)CC#N)cc1 ZINC000762795743 623908666 /nfs/dbraw/zinc/90/86/66/623908666.db2.gz XOXPWEHKZPOJHO-CQSZACIVSA-N 1 1 262.353 2.841 20 30 CFEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=NOC)c1C ZINC000914695505 623921158 /nfs/dbraw/zinc/92/11/58/623921158.db2.gz YCKCGNCRIKXGCG-OAHLLOKOSA-N 1 1 263.385 2.570 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C2CCCCCC2)[C@H]1C ZINC000993115981 623921968 /nfs/dbraw/zinc/92/19/68/623921968.db2.gz DJRJWYQZEDJOPI-GDBMZVCRSA-N 1 1 276.424 2.559 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001015558236 623929657 /nfs/dbraw/zinc/92/96/57/623929657.db2.gz UIEIXSGGZJWHMD-GJZGRUSLSA-N 1 1 278.440 2.969 20 30 CFEDMO C[N@@H+]1CCC[C@@H]2CN(CC3CCC(C#N)CC3)CC[C@@H]21 ZINC000929849363 623939299 /nfs/dbraw/zinc/93/92/99/623939299.db2.gz XMGYOGLBWHHRGT-BACDZXNISA-N 1 1 275.440 2.732 20 30 CFEDMO C[N@H+]1CCC[C@@H]2CN(CC3CCC(C#N)CC3)CC[C@@H]21 ZINC000929849363 623939301 /nfs/dbraw/zinc/93/93/01/623939301.db2.gz XMGYOGLBWHHRGT-BACDZXNISA-N 1 1 275.440 2.732 20 30 CFEDMO C[C@@H]1CC(=NOC[C@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000788034666 623972977 /nfs/dbraw/zinc/97/29/77/623972977.db2.gz VAOINZNHGAHCFP-ZBFHGGJFSA-N 1 1 288.391 2.690 20 30 CFEDMO NC(=[NH2+])NN=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000915050691 623975953 /nfs/dbraw/zinc/97/59/53/623975953.db2.gz FJIDRNJWLPABFJ-UHFFFAOYSA-N 1 1 291.358 2.507 20 30 CFEDMO C#CCC1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCCCC1 ZINC000827277310 623979233 /nfs/dbraw/zinc/97/92/33/623979233.db2.gz JUIFWWFIRREOLD-HZPDHXFCSA-N 1 1 288.435 2.513 20 30 CFEDMO CC(=NOC[C@H]1CCOC1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000788035323 623980877 /nfs/dbraw/zinc/98/08/77/623980877.db2.gz ZJTZDGDUZWPRFR-HNNXBMFYSA-N 1 1 299.374 2.958 20 30 CFEDMO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)C=C2CCC2)[C@@H]1C ZINC000993185058 623991011 /nfs/dbraw/zinc/99/10/11/623991011.db2.gz KQHAKIJJHMAJPB-JSGCOSHPSA-N 1 1 282.815 2.818 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCC[C@H](NC(=O)C=C2CCC2)[C@@H]1C ZINC000993185058 623991015 /nfs/dbraw/zinc/99/10/15/623991015.db2.gz KQHAKIJJHMAJPB-JSGCOSHPSA-N 1 1 282.815 2.818 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)[C@@H]1C ZINC000993188173 623994541 /nfs/dbraw/zinc/99/45/41/623994541.db2.gz UKSSIHGZTOXJQZ-QWHCGFSZSA-N 1 1 278.440 2.824 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000827370155 623994937 /nfs/dbraw/zinc/99/49/37/623994937.db2.gz 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C#CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1 ZINC000834887975 625910413 /nfs/dbraw/zinc/91/04/13/625910413.db2.gz BFIUJHOLTBNDDR-OTWHNJEPSA-N 1 1 298.430 2.661 20 30 CFEDMO C#CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000834887975 625910419 /nfs/dbraw/zinc/91/04/19/625910419.db2.gz BFIUJHOLTBNDDR-OTWHNJEPSA-N 1 1 298.430 2.661 20 30 CFEDMO C#CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000834887975 625910420 /nfs/dbraw/zinc/91/04/20/625910420.db2.gz BFIUJHOLTBNDDR-OTWHNJEPSA-N 1 1 298.430 2.661 20 30 CFEDMO C=CCC[C@@H](CO)[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000834903655 625916291 /nfs/dbraw/zinc/91/62/91/625916291.db2.gz KBQIWKXZLNDEKD-GXTWGEPZSA-N 1 1 267.344 2.899 20 30 CFEDMO C=CCC[C@H](CO)[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000834903659 625916698 /nfs/dbraw/zinc/91/66/98/625916698.db2.gz KBQIWKXZLNDEKD-OCCSQVGLSA-N 1 1 267.344 2.899 20 30 CFEDMO C#Cc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)c1 ZINC000834902951 625916795 /nfs/dbraw/zinc/91/67/95/625916795.db2.gz MAOGNAWKMPIMGH-KZNAEPCWSA-N 1 1 268.404 2.630 20 30 CFEDMO C#Cc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000834902951 625916796 /nfs/dbraw/zinc/91/67/96/625916796.db2.gz MAOGNAWKMPIMGH-KZNAEPCWSA-N 1 1 268.404 2.630 20 30 CFEDMO C#Cc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000834902951 625916797 /nfs/dbraw/zinc/91/67/97/625916797.db2.gz MAOGNAWKMPIMGH-KZNAEPCWSA-N 1 1 268.404 2.630 20 30 CFEDMO CN(CCC#N)c1ccc(C=[NH+]NCC(F)(F)F)cc1 ZINC000769821638 625930296 /nfs/dbraw/zinc/93/02/96/625930296.db2.gz JOROJTTZLHDMBN-UHFFFAOYSA-N 1 1 284.285 2.522 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)CC(C)C)c1 ZINC000770509383 625940949 /nfs/dbraw/zinc/94/09/49/625940949.db2.gz LUIHELRJOVLPHT-CQSZACIVSA-N 1 1 272.392 2.973 20 30 CFEDMO Cc1[nH+]c(C=NN[C@@H](C)C(F)(F)F)c2ccccn12 ZINC000834995848 625946655 /nfs/dbraw/zinc/94/66/55/625946655.db2.gz LZFIVHSLRHTMAB-QMMMGPOBSA-N 1 1 270.258 2.517 20 30 CFEDMO C[C@@H]1C(N=Nc2ccncn2)CC[N@H+]1Cc1ccccc1 ZINC000835000253 625949900 /nfs/dbraw/zinc/94/99/00/625949900.db2.gz CDWXTTIMLVBQSB-CYBMUJFWSA-N 1 1 281.363 2.539 20 30 CFEDMO C#CCCC[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000817288868 625951969 /nfs/dbraw/zinc/95/19/69/625951969.db2.gz OHKWXYZBSACTBE-ZIAGYGMSSA-N 1 1 265.397 2.700 20 30 CFEDMO CCOC(=O)C(C)(C)O[NH+]=C(CC)c1cccc(N)c1 ZINC000835006651 625954439 /nfs/dbraw/zinc/95/44/39/625954439.db2.gz WJJVXACMATWQTH-UHFFFAOYSA-N 1 1 278.352 2.741 20 30 CFEDMO CCc1ccc(N[NH2+]C2=CC(=O)N3CCCC[C@@H]23)cc1 ZINC000835010417 625957194 /nfs/dbraw/zinc/95/71/94/625957194.db2.gz AJHGUFMTIRPTLS-HNNXBMFYSA-N 1 1 271.364 2.802 20 30 CFEDMO CN(C)c1ccncc1C=[NH+]N[C@@H]1CCc2c1cccc2F ZINC000835019643 625965442 /nfs/dbraw/zinc/96/54/42/625965442.db2.gz DLBOSWBGFBVEPG-MRXNPFEDSA-N 1 1 298.365 2.898 20 30 CFEDMO C[N@H+]1CCCC(=NN[C@H]2CCc3c2cccc3F)CC1 ZINC000835020806 625966114 /nfs/dbraw/zinc/96/61/14/625966114.db2.gz PQGDAWNGCFUTOT-INIZCTEOSA-N 1 1 275.371 2.874 20 30 CFEDMO C[N@H+]1CCCC(=NN[C@@H]2CCc3c2cccc3F)CC1 ZINC000835020807 625966543 /nfs/dbraw/zinc/96/65/43/625966543.db2.gz PQGDAWNGCFUTOT-MRXNPFEDSA-N 1 1 275.371 2.874 20 30 CFEDMO C[C@H](CNCc1csc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000921617071 625994279 /nfs/dbraw/zinc/99/42/79/625994279.db2.gz PHLFDQQVZPWXPF-CYBMUJFWSA-N 1 1 277.437 2.830 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000921620834 625998506 /nfs/dbraw/zinc/99/85/06/625998506.db2.gz VGPGJOOEUXCZNI-INIZCTEOSA-N 1 1 285.435 2.995 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000921620834 625998508 /nfs/dbraw/zinc/99/85/08/625998508.db2.gz VGPGJOOEUXCZNI-INIZCTEOSA-N 1 1 285.435 2.995 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C(F)F)c2)C1 ZINC001016048318 626015452 /nfs/dbraw/zinc/01/54/52/626015452.db2.gz DDLJTDRPNZXMNX-ZDUSSCGKSA-N 1 1 280.318 2.614 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2CCCC2)CC1 ZINC000997909384 626020575 /nfs/dbraw/zinc/02/05/75/626020575.db2.gz QZHJZVODUMQJAB-QGZVFWFLSA-N 1 1 290.451 2.903 20 30 CFEDMO C=CC[N@H+]1CC[C@H](NC(=O)Cc2cccc3ccccc32)C1 ZINC001016074980 626027182 /nfs/dbraw/zinc/02/71/82/626027182.db2.gz LVBXWLVVNXJMFX-KRWDZBQOSA-N 1 1 294.398 2.759 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000998102572 626031438 /nfs/dbraw/zinc/03/14/38/626031438.db2.gz NIBLBLYDOFHJFV-ZNMIVQPWSA-N 1 1 264.413 2.531 20 30 CFEDMO Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000773022752 626096201 /nfs/dbraw/zinc/09/62/01/626096201.db2.gz DLKLDJDVAJKNOF-JTQLQIEISA-N 1 1 272.327 2.590 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001016194625 626106838 /nfs/dbraw/zinc/10/68/38/626106838.db2.gz KHVHBNZLLKZTLG-INIZCTEOSA-N 1 1 286.419 2.992 20 30 CFEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2ccccc2C)CC1 ZINC001000392108 626115061 /nfs/dbraw/zinc/11/50/61/626115061.db2.gz OCKMQWOBBUVQNR-UHFFFAOYSA-N 1 1 270.376 2.543 20 30 CFEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2ccccc2C)CC1 ZINC001000391692 626115230 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C=CC[N@@H+]1CC=C(CNC(=O)c2cc[nH]c2C(C)C)CC1 ZINC001001070130 626142229 /nfs/dbraw/zinc/14/22/29/626142229.db2.gz PRWMPWAFVRLKQQ-UHFFFAOYSA-N 1 1 287.407 2.686 20 30 CFEDMO CN(C(=O)C[NH2+]Cc1csc(C#N)c1)C1CCCCC1 ZINC000921819813 626143657 /nfs/dbraw/zinc/14/36/57/626143657.db2.gz QLEUBFHSEJVXPX-UHFFFAOYSA-N 1 1 291.420 2.500 20 30 CFEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001001111511 626145360 /nfs/dbraw/zinc/14/53/60/626145360.db2.gz QPLIKNLZLWDAPF-DOTOQJQBSA-N 1 1 288.435 2.584 20 30 CFEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2C[C@@H]2C(C)C)CC1 ZINC001001312237 626153730 /nfs/dbraw/zinc/15/37/30/626153730.db2.gz CXZUENSUCFOHHJ-CVEARBPZSA-N 1 1 276.424 2.603 20 30 CFEDMO C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@H](CC)CC2)CC1 ZINC001001389273 626157274 /nfs/dbraw/zinc/15/72/74/626157274.db2.gz HUWDZJVQJIEELI-JCNLHEQBSA-N 1 1 288.435 2.584 20 30 CFEDMO N#Cc1cc(C[NH2+][C@H]2CCCc3cn[nH]c32)cs1 ZINC000921860027 626168837 /nfs/dbraw/zinc/16/88/37/626168837.db2.gz JPKLYVRYKRXRHJ-LBPRGKRZSA-N 1 1 258.350 2.510 20 30 CFEDMO N#Cc1cc(C[NH2+][C@H]2CCCc3c[nH]nc32)cs1 ZINC000921860027 626168840 /nfs/dbraw/zinc/16/88/40/626168840.db2.gz JPKLYVRYKRXRHJ-LBPRGKRZSA-N 1 1 258.350 2.510 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(NC(=O)c2coc(C)c2)CC1 ZINC001002679534 626185972 /nfs/dbraw/zinc/18/59/72/626185972.db2.gz KUJZVJRTFPFDMR-UHFFFAOYSA-N 1 1 282.771 2.535 20 30 CFEDMO CC1(C)CCC[N@H+](CCNCc2csc(C#N)c2)C1 ZINC000922064924 626202972 /nfs/dbraw/zinc/20/29/72/626202972.db2.gz VNAGBEZTMHGFQP-UHFFFAOYSA-N 1 1 277.437 2.831 20 30 CFEDMO CC1(C)CCC[N@@H+](CCNCc2csc(C#N)c2)C1 ZINC000922064924 626202974 /nfs/dbraw/zinc/20/29/74/626202974.db2.gz VNAGBEZTMHGFQP-UHFFFAOYSA-N 1 1 277.437 2.831 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2csc(C#N)c2)C1 ZINC000922237889 626248691 /nfs/dbraw/zinc/24/86/91/626248691.db2.gz NLOSWOAZTKBNMQ-GFCCVEGCSA-N 1 1 263.410 2.582 20 30 CFEDMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2csc(C#N)c2)C1 ZINC000922237889 626248693 /nfs/dbraw/zinc/24/86/93/626248693.db2.gz NLOSWOAZTKBNMQ-GFCCVEGCSA-N 1 1 263.410 2.582 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC001003872176 626262760 /nfs/dbraw/zinc/26/27/60/626262760.db2.gz BNUAWTIPMBJYDK-UKRRQHHQSA-N 1 1 284.831 2.756 20 30 CFEDMO Cc1[nH]ncc1C[NH2+]C(C)(C)Cc1ccc(C#N)cc1 ZINC000922601353 626321033 /nfs/dbraw/zinc/32/10/33/626321033.db2.gz YUNGZRQDHBWFEF-UHFFFAOYSA-N 1 1 268.364 2.701 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC)CC1 ZINC001004303792 626340188 /nfs/dbraw/zinc/34/01/88/626340188.db2.gz UOQLMRJDMVHYJO-OAHLLOKOSA-N 1 1 264.413 2.676 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC2)CC1 ZINC001004315128 626345937 /nfs/dbraw/zinc/34/59/37/626345937.db2.gz BUYRFWBEQDLPIY-MRXNPFEDSA-N 1 1 276.424 2.676 20 30 CFEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C2CCC2)CC1 ZINC001004317734 626348324 /nfs/dbraw/zinc/34/83/24/626348324.db2.gz JTWGSAKUWFQFKP-QGZVFWFLSA-N 1 1 288.435 2.513 20 30 CFEDMO Cc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1C#N ZINC000922759811 626359798 /nfs/dbraw/zinc/35/97/98/626359798.db2.gz UREKZMFOBXJGTF-XJKSGUPXSA-N 1 1 269.392 2.582 20 30 CFEDMO Cc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1C#N ZINC000922759811 626359800 /nfs/dbraw/zinc/35/98/00/626359800.db2.gz UREKZMFOBXJGTF-XJKSGUPXSA-N 1 1 269.392 2.582 20 30 CFEDMO Cc1nn(C)c(C[NH2+]Cc2ccc(C)c(C#N)c2)c1Cl ZINC000922760220 626359905 /nfs/dbraw/zinc/35/99/05/626359905.db2.gz KRNVEKBJIBLKSH-UHFFFAOYSA-N 1 1 288.782 2.852 20 30 CFEDMO CC1([NH+]2CCC2)CCC(NCc2nc(C#N)cs2)CC1 ZINC000922846407 626379678 /nfs/dbraw/zinc/37/96/78/626379678.db2.gz ZVFVWTIHIONQLH-UHFFFAOYSA-N 1 1 290.436 2.511 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC2(C)CC2)CC1 ZINC001004487287 626387697 /nfs/dbraw/zinc/38/76/97/626387697.db2.gz BHYBMDPMASCXLR-INIZCTEOSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](F)CC)CC1 ZINC001004517157 626388898 /nfs/dbraw/zinc/38/88/98/626388898.db2.gz 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C=C(C)C[N@@H+]1CCCC[C@H]1COC(=O)NCCC ZINC000805772122 628862535 /nfs/dbraw/zinc/86/25/35/628862535.db2.gz CBELJKSZSACFTR-ZDUSSCGKSA-N 1 1 254.374 2.553 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)cs2)nc1 ZINC000785516829 628891295 /nfs/dbraw/zinc/89/12/95/628891295.db2.gz COYZVHMVQDGLRD-UHFFFAOYSA-N 1 1 263.753 2.958 20 30 CFEDMO C#CCOc1ccccc1-c1noc(C[NH+](CC)CC)n1 ZINC000785585017 628895842 /nfs/dbraw/zinc/89/58/42/628895842.db2.gz SFHPSDLYOWUONH-UHFFFAOYSA-N 1 1 285.347 2.590 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)CC(C)(C)C ZINC000785613070 628898340 /nfs/dbraw/zinc/89/83/40/628898340.db2.gz JYTBVBBHMZCBCS-CABCVRRESA-N 1 1 278.440 2.663 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)CC(C)(C)C ZINC000785613070 628898343 /nfs/dbraw/zinc/89/83/43/628898343.db2.gz JYTBVBBHMZCBCS-CABCVRRESA-N 1 1 278.440 2.663 20 30 CFEDMO C=CCC[N@@H+](C)CN1C[C@H](Cc2ccccc2)OC1=O ZINC000786100533 628937271 /nfs/dbraw/zinc/93/72/71/628937271.db2.gz BIJDMHMECIPWEL-HNNXBMFYSA-N 1 1 274.364 2.515 20 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261.321 2.661 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CCCNC(=O)OC(C)(C)C ZINC000787307931 629006175 /nfs/dbraw/zinc/00/61/75/629006175.db2.gz ANBYLCLADSCNLM-CYBMUJFWSA-N 1 1 268.401 2.942 20 30 CFEDMO CCC#C[C@H](C)[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789526377 629163744 /nfs/dbraw/zinc/16/37/44/629163744.db2.gz WBYYHDPEFGZDNK-RDJZCZTQSA-N 1 1 284.403 2.521 20 30 CFEDMO CCC#C[C@H](C)[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789526377 629163747 /nfs/dbraw/zinc/16/37/47/629163747.db2.gz WBYYHDPEFGZDNK-RDJZCZTQSA-N 1 1 284.403 2.521 20 30 CFEDMO CC#CCC[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852307386 634716927 /nfs/dbraw/zinc/71/69/27/634716927.db2.gz VNBJYIPVPQBSKN-UHFFFAOYSA-N 1 1 268.401 2.635 20 30 CFEDMO CCN(C)c1ccc(C=[NH+]NCc2ccc(C#N)cc2)cn1 ZINC000790172227 629215925 /nfs/dbraw/zinc/21/59/25/629215925.db2.gz MMJGSQCTLBXOHD-UHFFFAOYSA-N 1 1 293.374 2.533 20 30 CFEDMO CC(N=Nc1nccn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000790301083 629228077 /nfs/dbraw/zinc/22/80/77/629228077.db2.gz BIWYOQUAMXSPBJ-INIZCTEOSA-N 1 1 297.406 2.730 20 30 CFEDMO Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319228 634718605 /nfs/dbraw/zinc/71/86/05/634718605.db2.gz ICSNHZOTCHEWAS-CJNGLKHVSA-N 1 1 276.355 2.793 20 30 CFEDMO CCCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852319540 634718866 /nfs/dbraw/zinc/71/88/66/634718866.db2.gz OLRSAGJEVOQWLT-LSDHHAIUSA-N 1 1 279.428 2.697 20 30 CFEDMO CCCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319540 634718869 /nfs/dbraw/zinc/71/88/69/634718869.db2.gz OLRSAGJEVOQWLT-LSDHHAIUSA-N 1 1 279.428 2.697 20 30 CFEDMO Cc1cc(C)cc([C@@H](O)C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000852319065 634719610 /nfs/dbraw/zinc/71/96/10/634719610.db2.gz GHCSMHJIPBDFDV-WBVHZDCISA-N 1 1 272.392 2.963 20 30 CFEDMO CN1c2ccc(C[N@H+]3CCC[C@H](CC#N)C3)cc2CCC1=O ZINC000852319536 634719727 /nfs/dbraw/zinc/71/97/27/634719727.db2.gz OKKILGZBVQFRGG-CQSZACIVSA-N 1 1 297.402 2.721 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](C[C@H](O)c2cc(F)ccc2F)C1 ZINC000852318991 634719753 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N#C[C@]1(c2ccccn2)CCC[N@@H+](CCC2CCOCC2)C1 ZINC000852333191 634725124 /nfs/dbraw/zinc/72/51/24/634725124.db2.gz HXHOMAYJZVIPNW-GOSISDBHSA-N 1 1 299.418 2.755 20 30 CFEDMO C#CC[N@H+](CC)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000791474051 629320137 /nfs/dbraw/zinc/32/01/37/629320137.db2.gz RTKVWWQYMLYSLR-SFHVURJKSA-N 1 1 267.372 2.698 20 30 CFEDMO C#CCOCC[N@@H+](Cc1ccccc1)[C@@H]1COC(C)(C)C1 ZINC000852342831 634727765 /nfs/dbraw/zinc/72/77/65/634727765.db2.gz LPWOWFPGEKSNRG-KRWDZBQOSA-N 1 1 287.403 2.706 20 30 CFEDMO C=CC[N@@H+](C[C@H](O)c1ccccc1Cl)[C@@H](C)COC ZINC000852356840 634731058 /nfs/dbraw/zinc/73/10/58/634731058.db2.gz PSTQNKWNCVOVBP-WFASDCNBSA-N 1 1 283.799 2.896 20 30 CFEDMO C=CC[N@@H+](C[C@H](O)c1ccc(Cl)cc1)[C@H](C)COC ZINC000852356855 634731513 /nfs/dbraw/zinc/73/15/13/634731513.db2.gz QCLLYIXMOJYNHE-DOMZBBRYSA-N 1 1 283.799 2.896 20 30 CFEDMO C#CC[N@@H+](CC)Cc1ccnn1-c1ccccc1C ZINC000792795983 629452889 /nfs/dbraw/zinc/45/28/89/629452889.db2.gz LYPKMLKMEWIOAW-UHFFFAOYSA-N 1 1 253.349 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631685567 /nfs/dbraw/zinc/68/55/67/631685567.db2.gz TYWRCJZIWHSMGE-NUJGCVRESA-N 1 1 296.414 2.899 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](CN2C[C@@H](CC(C)C)CC2=O)C1 ZINC000842629586 631685614 /nfs/dbraw/zinc/68/56/14/631685614.db2.gz PTNIQUNBHDNDKL-CVEARBPZSA-N 1 1 276.424 2.574 20 30 CFEDMO C#C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000812353941 631695416 /nfs/dbraw/zinc/69/54/16/631695416.db2.gz CVLBPXCTHMFQNP-HUUCEWRRSA-N 1 1 290.794 2.615 20 30 CFEDMO CC(C)[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@H]1CCOC1 ZINC000812776666 631772014 /nfs/dbraw/zinc/77/20/14/631772014.db2.gz NEQUUTWFRZGQAV-ZBFHGGJFSA-N 1 1 288.391 2.977 20 30 CFEDMO CC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@H]1CCOC1 ZINC000812780525 631772802 /nfs/dbraw/zinc/77/28/02/631772802.db2.gz HQHFPPSJCXDVHQ-HIFRSBDPSA-N 1 1 274.364 2.588 20 30 CFEDMO C#CC[N@H+](CC(=O)N[C@H]1CCCC[C@@H]1C)C1CCCC1 ZINC000155784200 650032095 /nfs/dbraw/zinc/03/20/95/650032095.db2.gz AXRCSLDBVTXJBF-HOCLYGCPSA-N 1 1 276.424 2.559 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812883591 631802248 /nfs/dbraw/zinc/80/22/48/631802248.db2.gz QEZPKLCSBRGHLO-TUAOUCFPSA-N 1 1 278.318 2.968 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+]C[C@H](O)c1cc2ccccc2s1 ZINC000843077539 631828935 /nfs/dbraw/zinc/82/89/35/631828935.db2.gz SLYVKDMLOGBDBB-JSGCOSHPSA-N 1 1 299.399 2.968 20 30 CFEDMO N#CCCCC(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000813083130 631830072 /nfs/dbraw/zinc/83/00/72/631830072.db2.gz JIXYXSRLDATIAZ-MRXNPFEDSA-N 1 1 286.375 2.888 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+]C[C@H](O)c1c(F)cccc1Cl ZINC000843086041 631830546 /nfs/dbraw/zinc/83/05/46/631830546.db2.gz ZRGLREUZXCVNEG-GWCFXTLKSA-N 1 1 295.745 2.546 20 30 CFEDMO C#CCCCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000155913959 650036667 /nfs/dbraw/zinc/03/66/67/650036667.db2.gz PLCGRGGHIMSBRT-GOSISDBHSA-N 1 1 298.430 2.961 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000813338702 631908513 /nfs/dbraw/zinc/90/85/13/631908513.db2.gz PDYUVHHMCNGORI-ZIAGYGMSSA-N 1 1 295.427 2.867 20 30 CFEDMO C#CCOc1ccc(C[N@H+](CCC)[C@@H]2CCN(C)C2)cc1 ZINC000843423208 631952052 /nfs/dbraw/zinc/95/20/52/631952052.db2.gz ZUSSDJSYEMEEBM-QGZVFWFLSA-N 1 1 286.419 2.615 20 30 CFEDMO C#CCOc1ccc(CN(CCC)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000843423208 631952058 /nfs/dbraw/zinc/95/20/58/631952058.db2.gz ZUSSDJSYEMEEBM-QGZVFWFLSA-N 1 1 286.419 2.615 20 30 CFEDMO C#CCOc1ccc(CN(CCC)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000843423208 631952062 /nfs/dbraw/zinc/95/20/62/631952062.db2.gz ZUSSDJSYEMEEBM-QGZVFWFLSA-N 1 1 286.419 2.615 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(-n3cncn3)c(F)c2)C1 ZINC000843423300 631952359 /nfs/dbraw/zinc/95/23/59/631952359.db2.gz CABLVVOUAUOGFV-CQSZACIVSA-N 1 1 298.365 2.642 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(-n3cncn3)c(C)c2)C1 ZINC000843423443 631952488 /nfs/dbraw/zinc/95/24/88/631952488.db2.gz DJIOIADYSUIRQU-MRXNPFEDSA-N 1 1 294.402 2.811 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)OC)c(CC)o2)C1 ZINC000843422925 631952619 /nfs/dbraw/zinc/95/26/19/631952619.db2.gz JIRKALNNFNXZIC-CYBMUJFWSA-N 1 1 289.375 2.864 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2ccnn2CC(C)C)C1 ZINC000843424244 631953648 /nfs/dbraw/zinc/95/36/48/631953648.db2.gz WPRITRBTGRKAOE-HNNXBMFYSA-N 1 1 259.397 2.774 20 30 CFEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843425139 631954409 /nfs/dbraw/zinc/95/44/09/631954409.db2.gz FPJMFEPLQHKPKV-GOSISDBHSA-N 1 1 299.418 2.527 20 30 CFEDMO C#CC1CC[NH+](Cc2c(Cl)nc3ccccn32)CC1 ZINC000843429238 631956067 /nfs/dbraw/zinc/95/60/67/631956067.db2.gz XVBFTHOIXITMBL-UHFFFAOYSA-N 1 1 273.767 2.833 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cc1 ZINC000843434889 631959597 /nfs/dbraw/zinc/95/95/97/631959597.db2.gz FEOIBXZCWDCZAX-OAHLLOKOSA-N 1 1 285.387 2.842 20 30 CFEDMO CCCCCCCCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000814144861 632018005 /nfs/dbraw/zinc/01/80/05/632018005.db2.gz JLDGZLVJRKELKZ-HUUCEWRRSA-N 1 1 266.429 2.900 20 30 CFEDMO C#Cc1cccc(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)c1 ZINC000843902765 632075059 /nfs/dbraw/zinc/07/50/59/632075059.db2.gz ZMRBPJANBVITTB-CQSZACIVSA-N 1 1 295.386 2.694 20 30 CFEDMO C#CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000843999467 632091650 /nfs/dbraw/zinc/09/16/50/632091650.db2.gz OULRLUBHIJNEPM-NVXWUHKLSA-N 1 1 288.435 2.655 20 30 CFEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000814659405 632104568 /nfs/dbraw/zinc/10/45/68/632104568.db2.gz NCAWYKMTVFDHIR-ZDUSSCGKSA-N 1 1 299.374 2.988 20 30 CFEDMO C[NH+]1CCN(N=C2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000814685090 632108052 /nfs/dbraw/zinc/10/80/52/632108052.db2.gz IEICWISZKIREKO-INIZCTEOSA-N 1 1 271.408 2.633 20 30 CFEDMO Cc1ccc(C)c(N[NH+]=Cc2cnc(N(C)C)nc2)c1 ZINC000814753259 632118059 /nfs/dbraw/zinc/11/80/59/632118059.db2.gz JASYCGDXRGCIDB-UHFFFAOYSA-N 1 1 269.352 2.605 20 30 CFEDMO CC(=[NH+]NCCN1CCCCC1)c1ccc(Cl)c(N)c1 ZINC000814808909 632130207 /nfs/dbraw/zinc/13/02/07/632130207.db2.gz UWODUYFMMGIZPL-UHFFFAOYSA-N 1 1 294.830 2.722 20 30 CFEDMO CC1(C)Cc2nc(N)sc2C(=[NH+]NC2CCCC2)C1 ZINC000814833071 632134360 /nfs/dbraw/zinc/13/43/60/632134360.db2.gz WOEKDNYODOCVNF-UHFFFAOYSA-N 1 1 278.425 2.934 20 30 CFEDMO C=C(Br)C[NH2+]CC1=Cc2ccccc2OC1 ZINC000105453352 632135596 /nfs/dbraw/zinc/13/55/96/632135596.db2.gz QDZKXNFTFVPCPX-UHFFFAOYSA-N 1 1 280.165 2.961 20 30 CFEDMO Cc1cc(Cl)cc2c1OCC2=NNc1cc[nH+]cc1 ZINC000814899974 632155343 /nfs/dbraw/zinc/15/53/43/632155343.db2.gz XSXXGZJXVDBZRS-UHFFFAOYSA-N 1 1 273.723 2.674 20 30 CFEDMO CC1(C)CC(=NNc2cc[nH+]cc2)c2cc(O)ccc2O1 ZINC000814900559 632155869 /nfs/dbraw/zinc/15/58/69/632155869.db2.gz YMURICGJJIAGGP-UHFFFAOYSA-N 1 1 283.331 2.586 20 30 CFEDMO C=CCC(F)(F)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000814923378 632166140 /nfs/dbraw/zinc/16/61/40/632166140.db2.gz QKXVYYBBIMPYHH-UHFFFAOYSA-N 1 1 288.382 2.969 20 30 CFEDMO COCCCO[NH+]=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814931569 632170100 /nfs/dbraw/zinc/17/01/00/632170100.db2.gz KSMJPHSVGGYTQN-UHFFFAOYSA-N 1 1 278.352 2.587 20 30 CFEDMO CC1(C)CC(=[NH+]N[C@H]2CCSC2)c2cc(N)ccc2O1 ZINC000814933249 632171307 /nfs/dbraw/zinc/17/13/07/632171307.db2.gz ITPIWVIJVJWBKB-NSHDSACASA-N 1 1 291.420 2.629 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000844356408 632179340 /nfs/dbraw/zinc/17/93/40/632179340.db2.gz IDULMUHGGURQKK-CJNGLKHVSA-N 1 1 276.355 2.718 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844376150 632185451 /nfs/dbraw/zinc/18/54/51/632185451.db2.gz RWEQMKIKXJMNFG-JKSUJKDBSA-N 1 1 295.810 2.560 20 30 CFEDMO C=CCC(F)(F)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000815024500 632188501 /nfs/dbraw/zinc/18/85/01/632188501.db2.gz DRUWFWSDCWPGFT-ZDUSSCGKSA-N 1 1 288.382 2.826 20 30 CFEDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)[C@H]1CC[C@H](C#N)C1 ZINC000815051397 632191414 /nfs/dbraw/zinc/19/14/14/632191414.db2.gz RKBFOPTUIJFGMC-STQMWFEESA-N 1 1 281.400 2.525 20 30 CFEDMO N#CCC1CC[NH+](Cc2ccnc(Br)c2)CC1 ZINC000815087472 632198650 /nfs/dbraw/zinc/19/86/50/632198650.db2.gz VCILPGZFBSYQBI-UHFFFAOYSA-N 1 1 294.196 2.970 20 30 CFEDMO C[C@@H]([NH2+]CCOCCC#N)c1nc(C(F)(F)F)cs1 ZINC000815104195 632202625 /nfs/dbraw/zinc/20/26/25/632202625.db2.gz DGRPRGRJHCDSLE-MRVPVSSYSA-N 1 1 293.314 2.743 20 30 CFEDMO C=CCC(F)(F)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000815111462 632203805 /nfs/dbraw/zinc/20/38/05/632203805.db2.gz MMNVUHYVHBFPII-UHFFFAOYSA-N 1 1 288.382 2.777 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C2(CCC2)CO1 ZINC000844421286 632204701 /nfs/dbraw/zinc/20/47/01/632204701.db2.gz FTODCFHOJANUPK-CQSZACIVSA-N 1 1 286.375 2.732 20 30 CFEDMO C=CC[C@H]([NH2+]Cc1cnn(C)c1Cl)c1ccncc1 ZINC000815124732 632207621 /nfs/dbraw/zinc/20/76/21/632207621.db2.gz JFBXMUIUNSIYME-ZDUSSCGKSA-N 1 1 276.771 2.876 20 30 CFEDMO C=CCOc1ccc(C[NH2+]Cc2cnn(C)c2Cl)cc1 ZINC000815140460 632215134 /nfs/dbraw/zinc/21/51/34/632215134.db2.gz XWVFKHBNZZQAAM-UHFFFAOYSA-N 1 1 291.782 2.928 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844470484 632224070 /nfs/dbraw/zinc/22/40/70/632224070.db2.gz JGCFSQMQXWQLOJ-CYBMUJFWSA-N 1 1 266.266 2.928 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844470484 632224072 /nfs/dbraw/zinc/22/40/72/632224072.db2.gz JGCFSQMQXWQLOJ-CYBMUJFWSA-N 1 1 266.266 2.928 20 30 CFEDMO C#CCCCCCC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC000844642028 632272204 /nfs/dbraw/zinc/27/22/04/632272204.db2.gz GOGNDHBLKXOXTJ-KFWWJZLASA-N 1 1 264.413 2.510 20 30 CFEDMO CCc1ccc(C#CC(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000815439163 632273580 /nfs/dbraw/zinc/27/35/80/632273580.db2.gz DQCRQTBBEKWENS-UHFFFAOYSA-N 1 1 298.430 2.591 20 30 CFEDMO C=CCCCC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000844923025 632337833 /nfs/dbraw/zinc/33/78/33/632337833.db2.gz FRUUITRNTWXAQI-QGZVFWFLSA-N 1 1 286.419 2.728 20 30 CFEDMO C=CCCCC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000844923025 632337838 /nfs/dbraw/zinc/33/78/38/632337838.db2.gz FRUUITRNTWXAQI-QGZVFWFLSA-N 1 1 286.419 2.728 20 30 CFEDMO C=CC[N@@H+](Cc1ccc2c(c1)oc(=O)n2C)C(C)C ZINC000816490625 632470119 /nfs/dbraw/zinc/47/01/19/632470119.db2.gz ZVTNYEXFZKRRPL-UHFFFAOYSA-N 1 1 260.337 2.528 20 30 CFEDMO C=CCC1(C(=O)OC[C@@H]2CC[N@@H+]2C(C)(C)C)CCOCC1 ZINC000845727622 632535608 /nfs/dbraw/zinc/53/56/08/632535608.db2.gz CRZIRKGAAGOIGG-AWEZNQCLSA-N 1 1 295.423 2.775 20 30 CFEDMO C#CCCCCCC(=O)OC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000845733260 632538999 /nfs/dbraw/zinc/53/89/99/632538999.db2.gz UOTSBNLAYVEBBT-CQSZACIVSA-N 1 1 265.397 2.986 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846108660 632632921 /nfs/dbraw/zinc/63/29/21/632632921.db2.gz BTECXMMDBUGUAU-OKILXGFUSA-N 1 1 265.303 2.948 20 30 CFEDMO N#CCOc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817918229 632733553 /nfs/dbraw/zinc/73/35/53/632733553.db2.gz KFIQFTIEILZWFI-KZNAEPCWSA-N 1 1 299.418 2.599 20 30 CFEDMO Cc1cc(C#N)ccc1NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000846745109 632782142 /nfs/dbraw/zinc/78/21/42/632782142.db2.gz ASVSTWKGIPSQNM-INIZCTEOSA-N 1 1 287.407 2.635 20 30 CFEDMO 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ZINC000859910680 636740653 /nfs/dbraw/zinc/74/06/53/636740653.db2.gz IFCYGXNXORBHCP-UHFFFAOYSA-N 1 1 283.293 2.713 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000859911123 636740969 /nfs/dbraw/zinc/74/09/69/636740969.db2.gz NNFDEOHSRVNPFN-NSHDSACASA-N 1 1 298.308 2.992 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000859911123 636740976 /nfs/dbraw/zinc/74/09/76/636740976.db2.gz NNFDEOHSRVNPFN-NSHDSACASA-N 1 1 298.308 2.992 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccns1 ZINC000860052784 636768924 /nfs/dbraw/zinc/76/89/24/636768924.db2.gz IZGPQQGFEPSNQM-NWDGAFQWSA-N 1 1 281.425 2.607 20 30 CFEDMO C[C@H](C[N@@H+](C)[C@H]1CC[C@H](C#N)C1)NC(=O)OC(C)(C)C ZINC000860097110 636784771 /nfs/dbraw/zinc/78/47/71/636784771.db2.gz QDTBCDMJLQUKFN-AGIUHOORSA-N 1 1 281.400 2.524 20 30 CFEDMO C=C(CC)C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000860095216 636785624 /nfs/dbraw/zinc/78/56/24/636785624.db2.gz FCYSZHCEKDUJMQ-GFCCVEGCSA-N 1 1 256.390 2.798 20 30 CFEDMO C#CCOc1ccc([C@@H](C)OC(=O)Cn2c[nH+]cc2C)cc1 ZINC000860533269 636906355 /nfs/dbraw/zinc/90/63/55/636906355.db2.gz RKZRJCGXSUIWAJ-CQSZACIVSA-N 1 1 298.342 2.508 20 30 CFEDMO CCc1ccccc1NC(=O)CO[NH+]=C(N)CC(C)C ZINC000049391726 650294646 /nfs/dbraw/zinc/29/46/46/650294646.db2.gz RBWIUGPQQMIAJZ-UHFFFAOYSA-N 1 1 277.368 2.522 20 30 CFEDMO C=CC[C@H](C)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000860896739 637005689 /nfs/dbraw/zinc/00/56/89/637005689.db2.gz QKMMIEBDPWVNFM-SMDDNHRTSA-N 1 1 257.349 2.707 20 30 CFEDMO C=CCC1(C(=O)OC[C@]2(C)C[C@@H](OC)C[N@H+]2C)CCCC1 ZINC000861353751 637172364 /nfs/dbraw/zinc/17/23/64/637172364.db2.gz PYSMFCIZLBGKBK-ZBFHGGJFSA-N 1 1 295.423 2.775 20 30 CFEDMO C=CC[C@H]1CC[N@@H+](Cc2cc(Br)nn2C)C1 ZINC000862441551 637381059 /nfs/dbraw/zinc/38/10/59/637381059.db2.gz SRTBHZYQMAZQLJ-JTQLQIEISA-N 1 1 284.201 2.581 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2cc(Br)nn2C)C1 ZINC000862441551 637381066 /nfs/dbraw/zinc/38/10/66/637381066.db2.gz SRTBHZYQMAZQLJ-JTQLQIEISA-N 1 1 284.201 2.581 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3)c2)C1 ZINC000862443024 637382452 /nfs/dbraw/zinc/38/24/52/637382452.db2.gz KPMYFEUHSXSLQX-MRXNPFEDSA-N 1 1 279.387 2.777 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000862444592 637384675 /nfs/dbraw/zinc/38/46/75/637384675.db2.gz CVXLSBYRLDOKIX-JTQLQIEISA-N 1 1 253.267 2.949 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2F)C1 ZINC000862444592 637384677 /nfs/dbraw/zinc/38/46/77/637384677.db2.gz CVXLSBYRLDOKIX-JTQLQIEISA-N 1 1 253.267 2.949 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000862444990 637385402 /nfs/dbraw/zinc/38/54/02/637385402.db2.gz JQVCUOKLEAHZOT-SNVBAGLBSA-N 1 1 253.267 2.949 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000862445171 637385925 /nfs/dbraw/zinc/38/59/25/637385925.db2.gz NKLWDEFVVRBQMF-CQSZACIVSA-N 1 1 273.376 2.857 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000862447327 637387611 /nfs/dbraw/zinc/38/76/11/637387611.db2.gz LQEIBQNJQURZDC-HNNXBMFYSA-N 1 1 295.386 2.726 20 30 CFEDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000862539553 637413773 /nfs/dbraw/zinc/41/37/73/637413773.db2.gz OSJMLLUCGAOLFG-AWEZNQCLSA-N 1 1 290.407 2.960 20 30 CFEDMO C#CC[C@H](COC)NC1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000862548624 637420338 /nfs/dbraw/zinc/42/03/38/637420338.db2.gz JLPBDJHXHPFQAL-JQHSSLGASA-N 1 1 292.467 2.657 20 30 CFEDMO C#CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000862563081 637430774 /nfs/dbraw/zinc/43/07/74/637430774.db2.gz IMOCIIHXGLFDSI-SJLPKXTDSA-N 1 1 296.414 2.523 20 30 CFEDMO C#CC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000862566709 637432771 /nfs/dbraw/zinc/43/27/71/637432771.db2.gz SXWWNRDVXOBXID-NVXWUHKLSA-N 1 1 284.403 2.551 20 30 CFEDMO CCOc1ccc(N=NC2C[N@H+]3C[C@@H]2CCC3)cc1 ZINC000863117068 637562464 /nfs/dbraw/zinc/56/24/64/637562464.db2.gz HTQIRWYWXJQRML-LBPRGKRZSA-N 1 1 259.353 2.579 20 30 CFEDMO CCC(=[NH+]N[C@@H](C)C(F)(F)F)c1ccc(N)cc1 ZINC000863116478 637562881 /nfs/dbraw/zinc/56/28/81/637562881.db2.gz QUXUBUVCNOXIAE-QMMMGPOBSA-N 1 1 259.275 2.923 20 30 CFEDMO C[N@H+]1CCC(N=Nc2nc3cccnc3s2)CC1(C)C ZINC000863125139 637565578 /nfs/dbraw/zinc/56/55/78/637565578.db2.gz NUMLHHVDADNXGS-UHFFFAOYSA-N 1 1 289.408 2.963 20 30 CFEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccnc(C(F)(F)F)c1 ZINC000863181713 637581326 /nfs/dbraw/zinc/58/13/26/637581326.db2.gz QIDZVIDGXISTRM-VIFPVBQESA-N 1 1 298.312 2.982 20 30 CFEDMO FC(F)(F)C(F)(F)CNN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000863183328 637582737 /nfs/dbraw/zinc/58/27/37/637582737.db2.gz VKFNRKJGYLSQEN-JTQLQIEISA-N 1 1 299.287 2.778 20 30 CFEDMO C/C=C\C[C@H]1CCC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000863340636 637630711 /nfs/dbraw/zinc/63/07/11/637630711.db2.gz MGYLUKCNSTTXOC-JZIMQPMSSA-N 1 1 285.391 2.664 20 30 CFEDMO C/C=C\C[C@H]1CCC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000863340636 637630715 /nfs/dbraw/zinc/63/07/15/637630715.db2.gz MGYLUKCNSTTXOC-JZIMQPMSSA-N 1 1 285.391 2.664 20 30 CFEDMO CCCCCCCCC(=O)NCC[N@H+]1CCCOCC1 ZINC000189405216 650378106 /nfs/dbraw/zinc/37/81/06/650378106.db2.gz GGHQONOAWPJKFW-UHFFFAOYSA-N 1 1 284.444 2.576 20 30 CFEDMO Oc1ccccc1/C=N\C[C@H]1CC[N@H+]1C1CCCC1 ZINC000864345906 637947158 /nfs/dbraw/zinc/94/71/58/637947158.db2.gz JIAIFPMZYGXSRC-QJISPJEISA-N 1 1 258.365 2.828 20 30 CFEDMO CC[N@H+]1CCC[C@H]1CNc1cc(C(F)(F)F)cc(C#N)n1 ZINC000865404162 638312959 /nfs/dbraw/zinc/31/29/59/638312959.db2.gz DPOWVXJDVKJYDQ-LBPRGKRZSA-N 1 1 298.312 2.868 20 30 CFEDMO NC(=[NH+]OCCOc1ccccc1F)C1CCCC1 ZINC000077375709 650420106 /nfs/dbraw/zinc/42/01/06/650420106.db2.gz XPLDLGUPZNGENZ-UHFFFAOYSA-N 1 1 266.316 2.684 20 30 CFEDMO COc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C#N ZINC000865860796 638621204 /nfs/dbraw/zinc/62/12/04/638621204.db2.gz XVOATTDNKAMWNS-LSDHHAIUSA-N 1 1 271.364 2.606 20 30 CFEDMO C=CC[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccncc1 ZINC000865889900 638645158 /nfs/dbraw/zinc/64/51/58/638645158.db2.gz DGVIZTFNLVDPQZ-HRCADAONSA-N 1 1 287.407 2.545 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1cc(C#N)ccn1 ZINC000866194408 638767248 /nfs/dbraw/zinc/76/72/48/638767248.db2.gz IRQLLYKPUFKPIR-OAHLLOKOSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1cc(C#N)ccn1 ZINC000866194408 638767250 /nfs/dbraw/zinc/76/72/50/638767250.db2.gz IRQLLYKPUFKPIR-OAHLLOKOSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3ccc(Cl)cc3C#N)CC[C@@H]21 ZINC000866206888 638770548 /nfs/dbraw/zinc/77/05/48/638770548.db2.gz UNCCHDPAHZBIKX-RISCZKNCSA-N 1 1 275.783 2.742 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3cc(Cl)ccc3C#N)CC[C@@H]21 ZINC000866208216 638770768 /nfs/dbraw/zinc/77/07/68/638770768.db2.gz ZZTAPYNDEYXTOB-JSGCOSHPSA-N 1 1 275.783 2.742 20 30 CFEDMO C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1cccc(C#N)c1O ZINC000866232403 638775710 /nfs/dbraw/zinc/77/57/10/638775710.db2.gz KVEOTTSXWQHCRN-GFCCVEGCSA-N 1 1 296.374 2.576 20 30 CFEDMO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866259496 638782417 /nfs/dbraw/zinc/78/24/17/638782417.db2.gz NEAMASDAFGWTPF-QWRGUYRKSA-N 1 1 284.363 2.718 20 30 CFEDMO C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(C#N)c1[O-] ZINC000866373786 638808171 /nfs/dbraw/zinc/80/81/71/638808171.db2.gz SREKMFBQEROMFD-ZIAGYGMSSA-N 1 1 287.407 2.646 20 30 CFEDMO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cn1 ZINC000866372898 638808344 /nfs/dbraw/zinc/80/83/44/638808344.db2.gz WJOGNVVHSGBPEM-RYUDHWBXSA-N 1 1 284.363 2.892 20 30 CFEDMO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2c3ccccc3OC[C@@H]2F)C1 ZINC000866379236 638809583 /nfs/dbraw/zinc/80/95/83/638809583.db2.gz KJMCYEUZSLILNZ-YODMDTAWSA-N 1 1 260.312 2.740 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([NH+]2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000866593120 638850885 /nfs/dbraw/zinc/85/08/85/638850885.db2.gz ZLNPASRFUWKWTG-TZMCWYRMSA-N 1 1 291.345 2.779 20 30 CFEDMO C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cccc(C#N)c1O ZINC000866632796 638858014 /nfs/dbraw/zinc/85/80/14/638858014.db2.gz BSEAPZOWGXBHLT-BXUZGUMPSA-N 1 1 282.347 2.646 20 30 CFEDMO CC(C)(C)[C@]1(CN)CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000866706418 638868975 /nfs/dbraw/zinc/86/89/75/638868975.db2.gz ICEIZMWHDAYZAJ-SFHVURJKSA-N 1 1 285.435 2.798 20 30 CFEDMO CC(C)(C)[C@]1(CN)CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000866706418 638868977 /nfs/dbraw/zinc/86/89/77/638868977.db2.gz ICEIZMWHDAYZAJ-SFHVURJKSA-N 1 1 285.435 2.798 20 30 CFEDMO C=CC[C@H](CC)NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000868576518 638958021 /nfs/dbraw/zinc/95/80/21/638958021.db2.gz PKQYCSAYBZWBMA-GOEBONIOSA-N 1 1 287.407 2.827 20 30 CFEDMO C=CC[C@H](CC)NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000868576518 638958022 /nfs/dbraw/zinc/95/80/22/638958022.db2.gz PKQYCSAYBZWBMA-GOEBONIOSA-N 1 1 287.407 2.827 20 30 CFEDMO C=CCCNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000868765022 638976853 /nfs/dbraw/zinc/97/68/53/638976853.db2.gz IAHPQLIPUWSZMZ-HNNXBMFYSA-N 1 1 279.428 2.659 20 30 CFEDMO C#CCCCCCOC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000869420584 639220090 /nfs/dbraw/zinc/22/00/90/639220090.db2.gz IUSOIAXDUJQLDU-INIZCTEOSA-N 1 1 295.423 2.516 20 30 CFEDMO Cc1cc(C)c(COC(=O)c2cc(C#N)c[nH]2)c(C)[nH+]1 ZINC000869426533 639223505 /nfs/dbraw/zinc/22/35/05/639223505.db2.gz LMOMOHPZIVNNKH-UHFFFAOYSA-N 1 1 269.304 2.564 20 30 CFEDMO Cc1cc(C)c(COC(=O)c2cc(C#N)ccn2)c(C)[nH+]1 ZINC000869516756 639271959 /nfs/dbraw/zinc/27/19/59/639271959.db2.gz KMVSPHBYSMPEBH-UHFFFAOYSA-N 1 1 281.315 2.631 20 30 CFEDMO Cc1[nH+]ccn1CCCC(=O)Nc1cc(F)cc(C#N)c1 ZINC000869863096 639437820 /nfs/dbraw/zinc/43/78/20/639437820.db2.gz QUWREKXVRFMTRQ-UHFFFAOYSA-N 1 1 286.310 2.621 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)(C)C ZINC001017664520 651255622 /nfs/dbraw/zinc/25/56/22/651255622.db2.gz IHSATZXHRGTHSN-SOUVJXGZSA-N 1 1 278.440 2.920 20 30 CFEDMO C[C@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)CC(C)(C)C#N ZINC000870783937 641064595 /nfs/dbraw/zinc/06/45/95/641064595.db2.gz CYCGPVQTBOUVSW-OLZOCXBDSA-N 1 1 266.385 2.732 20 30 CFEDMO C[N@H+]1CCN(C(=O)/C=C\c2ccccc2C#N)CCC1(C)C ZINC000871152198 641218657 /nfs/dbraw/zinc/21/86/57/641218657.db2.gz RMSJRQFMXVZZBN-HJWRWDBZSA-N 1 1 297.402 2.514 20 30 CFEDMO C#CCC1(C(=O)N2CC[N@H+](C)C(C)(C)CC2)CCCCC1 ZINC000871156736 641222094 /nfs/dbraw/zinc/22/20/94/641222094.db2.gz KZQFOJLOXQJWND-UHFFFAOYSA-N 1 1 290.451 2.903 20 30 CFEDMO C#CCC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000871187431 641236182 /nfs/dbraw/zinc/23/61/82/641236182.db2.gz FDFXLYIBFSTKLO-KRWDZBQOSA-N 1 1 298.430 2.735 20 30 CFEDMO C=CCCCCC[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000193331214 650644104 /nfs/dbraw/zinc/64/41/04/650644104.db2.gz IWERHDCEYGWVJN-CQSZACIVSA-N 1 1 253.386 2.818 20 30 CFEDMO CC(C)c1[nH+]ccn1CC(=O)[C@H](C#N)c1ccccc1 ZINC000871663614 641388831 /nfs/dbraw/zinc/38/88/31/641388831.db2.gz JFWQEDJHCRNDGF-CQSZACIVSA-N 1 1 267.332 2.883 20 30 CFEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(C#N)o3)c2C[C@H]1C ZINC000871674471 641395939 /nfs/dbraw/zinc/39/59/39/641395939.db2.gz ZEYWVNMPLOEWBX-GHMZBOCLSA-N 1 1 255.321 2.767 20 30 CFEDMO Cc1cc(F)c(C#N)cc1NCc1c[nH+]c2n1CCC2 ZINC000871868483 641491096 /nfs/dbraw/zinc/49/10/96/641491096.db2.gz WLIMERLZGSNSRW-UHFFFAOYSA-N 1 1 270.311 2.761 20 30 CFEDMO Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000872130411 641658172 /nfs/dbraw/zinc/65/81/72/641658172.db2.gz HMNIDAZDEPFWES-JQWIXIFHSA-N 1 1 282.347 2.774 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cc(C)ccn2)no1 ZINC000872172537 641687627 /nfs/dbraw/zinc/68/76/27/641687627.db2.gz BGSLIKDHWSJAKG-SECBINFHSA-N 1 1 264.716 2.582 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CCc2ccco2)no1 ZINC000872174751 641693579 /nfs/dbraw/zinc/69/35/79/641693579.db2.gz GJZVZTNFOKVDRL-JTQLQIEISA-N 1 1 267.716 2.590 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2nc(C)cs2)no1 ZINC000872175885 641694050 /nfs/dbraw/zinc/69/40/50/641694050.db2.gz USLQRDQUIOOMFP-ZETCQYMHSA-N 1 1 270.745 2.644 20 30 CFEDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2ccc(F)c(C#N)c2)[C@@H]1O ZINC000872258565 641720634 /nfs/dbraw/zinc/72/06/34/641720634.db2.gz PEVVZKNEVUTZKJ-IMJJTQAJSA-N 1 1 288.366 2.679 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCO[C@@H](C(F)F)CC2)cc1 ZINC000872256890 641721619 /nfs/dbraw/zinc/72/16/19/641721619.db2.gz DXLDZATZKCLPHT-CQSZACIVSA-N 1 1 265.303 2.524 20 30 CFEDMO Cc1ccc(C[N@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)cc1C#N ZINC000872262980 641725866 /nfs/dbraw/zinc/72/58/66/641725866.db2.gz SMWUYDXAIXKJNT-BBWFWOEESA-N 1 1 284.403 2.848 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872319938 641755014 /nfs/dbraw/zinc/75/50/14/641755014.db2.gz UEABWTPLNPFNIP-CQSZACIVSA-N 1 1 292.386 2.966 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872319938 641755016 /nfs/dbraw/zinc/75/50/16/641755016.db2.gz UEABWTPLNPFNIP-CQSZACIVSA-N 1 1 292.386 2.966 20 30 CFEDMO C[C@H]1C(N=Nc2ncccc2C(F)(F)F)CC[N@H+]1C ZINC000872342621 641760229 /nfs/dbraw/zinc/76/02/29/641760229.db2.gz YSTUKLAITDVDRN-QMMMGPOBSA-N 1 1 272.274 2.592 20 30 CFEDMO Clc1cc(N=NC2CCC[N@@H+]3CCSC[C@@H]23)ccn1 ZINC000872388182 641787032 /nfs/dbraw/zinc/78/70/32/641787032.db2.gz KENHVUJBVINACV-LBPRGKRZSA-N 1 1 296.827 2.714 20 30 CFEDMO Clc1cc(N=NC2CCC[N@H+]3CCSC[C@@H]23)ccn1 ZINC000872388182 641787039 /nfs/dbraw/zinc/78/70/39/641787039.db2.gz KENHVUJBVINACV-LBPRGKRZSA-N 1 1 296.827 2.714 20 30 CFEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=NN2CCC2)c1C ZINC000872396260 641790961 /nfs/dbraw/zinc/79/09/61/641790961.db2.gz ZIPCCRLMSJWBAG-KRWDZBQOSA-N 1 1 288.439 2.629 20 30 CFEDMO CC(=[NH+]N1CCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000872396847 641791332 /nfs/dbraw/zinc/79/13/32/641791332.db2.gz JCGZAIREHAPYED-UHFFFAOYSA-N 1 1 293.798 2.606 20 30 CFEDMO CSc1nnc(SC)n1[NH+]=C[C@H]1CC=CCC1 ZINC000872417287 641802667 /nfs/dbraw/zinc/80/26/67/641802667.db2.gz SNFBVVCZAJGLRH-VIFPVBQESA-N 1 1 268.411 2.912 20 30 CFEDMO CCSCCC=[NH+]n1c(SC)nnc1SC ZINC000872417600 641803741 /nfs/dbraw/zinc/80/37/41/641803741.db2.gz GLHZJNOGIUTIQQ-UHFFFAOYSA-N 1 1 276.456 2.699 20 30 CFEDMO C=CC[C@H]1CCC[N@@H+](CN2C[C@H]3CCCCN3C2=O)C1 ZINC000872624316 641879500 /nfs/dbraw/zinc/87/95/00/641879500.db2.gz LLGNSXBXLGCIGG-LSDHHAIUSA-N 1 1 277.412 2.522 20 30 CFEDMO Cc1c(Cl)cnc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1C#N ZINC000872779065 641933713 /nfs/dbraw/zinc/93/37/13/641933713.db2.gz DQMCVJQENNIQON-KBPBESRZSA-N 1 1 290.798 2.588 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000872929521 641965478 /nfs/dbraw/zinc/96/54/78/641965478.db2.gz BKWGOSJDYKWPQG-KGLIPLIRSA-N 1 1 281.444 2.761 20 30 CFEDMO C=CCc1cc(OCC)cc(C[N@@H+]2CCO[C@@H](C)C2)c1O ZINC000193991571 650712364 /nfs/dbraw/zinc/71/23/64/650712364.db2.gz KVTZPHHNRDXIIH-ZDUSSCGKSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@@H](C)C2)c1O ZINC000193991571 650712367 /nfs/dbraw/zinc/71/23/67/650712367.db2.gz KVTZPHHNRDXIIH-ZDUSSCGKSA-N 1 1 291.391 2.740 20 30 CFEDMO C#C[C@H]1CC[C@H]([NH2+]Cc2ccnn2-c2ccncc2)CC1 ZINC000873198010 642062136 /nfs/dbraw/zinc/06/21/36/642062136.db2.gz MFCWDGQAQWCSJQ-SHTZXODSSA-N 1 1 280.375 2.549 20 30 CFEDMO C[C@@H](NC[C@H]1Cc2ccccc2C[NH2+]1)c1cccc(C#N)c1 ZINC000873294247 642126042 /nfs/dbraw/zinc/12/60/42/642126042.db2.gz QYODXGSFDQPHGB-AUUYWEPGSA-N 1 1 291.398 2.923 20 30 CFEDMO C#CCOc1ccccc1C[N@H+](C)C1CCN(CC)CC1 ZINC000125257876 642577928 /nfs/dbraw/zinc/57/79/28/642577928.db2.gz ONIDWYZTXPDPMG-UHFFFAOYSA-N 1 1 286.419 2.615 20 30 CFEDMO C=C(C)CONC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000875697214 642669340 /nfs/dbraw/zinc/66/93/40/642669340.db2.gz IDRCKXWXDJWGCC-OAHLLOKOSA-N 1 1 295.427 2.590 20 30 CFEDMO CCCCCCCNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000875765013 642683740 /nfs/dbraw/zinc/68/37/40/642683740.db2.gz YXQLAFUEJRPAEZ-UHFFFAOYSA-N 1 1 267.417 2.518 20 30 CFEDMO C=CCN(C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)C(C)C ZINC000875872792 642703556 /nfs/dbraw/zinc/70/35/56/642703556.db2.gz IDIMFGIJGSLPOM-HNNXBMFYSA-N 1 1 279.428 2.609 20 30 CFEDMO C[N@H+](CCC#N)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876526052 642905292 /nfs/dbraw/zinc/90/52/92/642905292.db2.gz RDCYFVGAZQKHQV-CQSZACIVSA-N 1 1 295.427 2.869 20 30 CFEDMO C[N@@H+](CCC#N)C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876526052 642905296 /nfs/dbraw/zinc/90/52/96/642905296.db2.gz RDCYFVGAZQKHQV-CQSZACIVSA-N 1 1 295.427 2.869 20 30 CFEDMO CC[N@H+](CCC#N)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000876563388 642925296 /nfs/dbraw/zinc/92/52/96/642925296.db2.gz FSHSSBAMSXMYHM-UHFFFAOYSA-N 1 1 293.411 2.621 20 30 CFEDMO CC[N@@H+](CCC#N)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000876563388 642925301 /nfs/dbraw/zinc/92/53/01/642925301.db2.gz FSHSSBAMSXMYHM-UHFFFAOYSA-N 1 1 293.411 2.621 20 30 CFEDMO CNC(=O)c1ccc(C[N@@H+](C[C@H](C)CCC#N)C2CC2)cc1 ZINC000876591260 642936257 /nfs/dbraw/zinc/93/62/57/642936257.db2.gz JUHSWTLNLWQLDW-CQSZACIVSA-N 1 1 299.418 2.950 20 30 CFEDMO C#CCCCCCC[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000876678342 642969529 /nfs/dbraw/zinc/96/95/29/642969529.db2.gz KIFUWUHYWCPINM-OAHLLOKOSA-N 1 1 265.397 2.655 20 30 CFEDMO C#CCCCCCC[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000876679986 642970177 /nfs/dbraw/zinc/97/01/77/642970177.db2.gz VPYJQZBBLDMFRE-OAHLLOKOSA-N 1 1 265.397 2.798 20 30 CFEDMO 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C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCCC3)[C@H]1C ZINC001088960753 778961790 /nfs/dbraw/zinc/96/17/90/778961790.db2.gz ATWKZTJQFYIERF-ILXRZTDVSA-N 1 1 276.424 2.722 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)o2)[C@H]1C ZINC001089008313 778973637 /nfs/dbraw/zinc/97/36/37/778973637.db2.gz BLXXBOYQAUHBKY-MNOVXSKESA-N 1 1 298.333 2.986 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2C)[C@H]1C ZINC001089017502 778974286 /nfs/dbraw/zinc/97/42/86/778974286.db2.gz IAIJRNYPYBVOOV-ZBFHGGJFSA-N 1 1 272.392 2.682 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(F)cc2Cl)[C@H]1C ZINC001089018689 778975104 /nfs/dbraw/zinc/97/51/04/778975104.db2.gz WDLDCKWUMQOYSM-YGRLFVJLSA-N 1 1 296.773 2.858 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc(F)c2)[C@H]1C ZINC001089024535 778976293 /nfs/dbraw/zinc/97/62/93/778976293.db2.gz JGDJUWUPKJUSCZ-ABAIWWIYSA-N 1 1 294.345 2.734 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc(F)cc(F)c2)[C@H]1C ZINC001089024274 778976508 /nfs/dbraw/zinc/97/65/08/778976508.db2.gz RZJAKFSGBVUPPK-ABAIWWIYSA-N 1 1 294.345 2.734 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)c2ccccc2)[C@H]1C ZINC001089028091 778978525 /nfs/dbraw/zinc/97/85/25/778978525.db2.gz BDEIEBXMMQKWFN-WBVHZDCISA-N 1 1 298.430 2.567 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccn2C(C)C)[C@H]1C ZINC001089043268 778980386 /nfs/dbraw/zinc/98/03/86/778980386.db2.gz TVTLSSVYQJFTNH-CABCVRRESA-N 1 1 289.423 2.838 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccccc2C)[C@H]1C ZINC001089055074 778982784 /nfs/dbraw/zinc/98/27/84/778982784.db2.gz UTDGGKALKYOTOO-INMHGKMJSA-N 1 1 286.419 2.864 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C3CC3)cc2)[C@H]1C ZINC001089054646 778983035 /nfs/dbraw/zinc/98/30/35/778983035.db2.gz YNHNXZNEIYGKCU-KDOFPFPSSA-N 1 1 296.414 2.780 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2cccc(F)c2)[C@H]1C ZINC001089051103 778983470 /nfs/dbraw/zinc/98/34/70/778983470.db2.gz AUOVWYNPCGNQRR-ZENOOKHLSA-N 1 1 290.382 2.694 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC(C)(C)C2)[C@H]1C ZINC001089066320 778985354 /nfs/dbraw/zinc/98/53/54/778985354.db2.gz AOZGHKKYWIRJJF-ILXRZTDVSA-N 1 1 278.440 2.968 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccc(F)s2)[C@H]1C ZINC001089071947 778987884 /nfs/dbraw/zinc/98/78/84/778987884.db2.gz BRGXEGZUQNGYHB-MNOVXSKESA-N 1 1 282.384 2.656 20 30 CFEDMO Cc1ccc(C[N@H+](C)C[C@H]2CCCCO2)c(C#N)c1 ZINC001232966515 779000594 /nfs/dbraw/zinc/00/05/94/779000594.db2.gz OSORZSOEZNWVSY-MRXNPFEDSA-N 1 1 258.365 2.868 20 30 CFEDMO Cc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)c(C#N)c1 ZINC001232966515 779000598 /nfs/dbraw/zinc/00/05/98/779000598.db2.gz OSORZSOEZNWVSY-MRXNPFEDSA-N 1 1 258.365 2.868 20 30 CFEDMO CCCO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2C#N)C1 ZINC001232966693 779000613 /nfs/dbraw/zinc/00/06/13/779000613.db2.gz RKEWGTTXISSUMG-MRXNPFEDSA-N 1 1 258.365 2.868 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC001030736504 779004477 /nfs/dbraw/zinc/00/44/77/779004477.db2.gz WHVXCNYSXVZDBS-HZPDHXFCSA-N 1 1 276.424 2.579 20 30 CFEDMO CC(C)(O)C[N@H+](Cc1[nH]ccc1C#N)Cc1ccccc1 ZINC001233047512 779010460 /nfs/dbraw/zinc/01/04/60/779010460.db2.gz CAFXMUCMOLIQCI-UHFFFAOYSA-N 1 1 283.375 2.659 20 30 CFEDMO CC(C)(O)C[N@@H+](Cc1[nH]ccc1C#N)Cc1ccccc1 ZINC001233047512 779010463 /nfs/dbraw/zinc/01/04/63/779010463.db2.gz CAFXMUCMOLIQCI-UHFFFAOYSA-N 1 1 283.375 2.659 20 30 CFEDMO CC[N@H+](CCC#N)Cc1ccnc2c(OC)cccc12 ZINC001237109282 779013861 /nfs/dbraw/zinc/01/38/61/779013861.db2.gz JTHLZFALEXGORV-UHFFFAOYSA-N 1 1 269.348 2.979 20 30 CFEDMO CC[N@@H+](CCC#N)Cc1ccnc2c(OC)cccc12 ZINC001237109282 779013865 /nfs/dbraw/zinc/01/38/65/779013865.db2.gz JTHLZFALEXGORV-UHFFFAOYSA-N 1 1 269.348 2.979 20 30 CFEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(F)CCCC1 ZINC001099130821 779048816 /nfs/dbraw/zinc/04/88/16/779048816.db2.gz SHLNLOKQDUVJES-CQSZACIVSA-N 1 1 294.414 2.509 20 30 CFEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(F)CCCC1 ZINC001099130821 779048819 /nfs/dbraw/zinc/04/88/19/779048819.db2.gz SHLNLOKQDUVJES-CQSZACIVSA-N 1 1 294.414 2.509 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CC(C)C)CCC[C@@H]12 ZINC000992237885 779055055 /nfs/dbraw/zinc/05/50/55/779055055.db2.gz BGFSEAQCPXRSIT-KONPQCLYSA-N 1 1 290.451 2.968 20 30 CFEDMO C=CCc1cccc(C[N@H+]2CCNC3=CCCC[C@H]32)c1O ZINC001237226728 779055359 /nfs/dbraw/zinc/05/53/59/779055359.db2.gz XWULQCVLORQPRF-QGZVFWFLSA-N 1 1 284.403 2.962 20 30 CFEDMO C=CCc1cccc(CN2CC[NH2+]C3=CCCC[C@H]32)c1O ZINC001237226728 779055365 /nfs/dbraw/zinc/05/53/65/779055365.db2.gz XWULQCVLORQPRF-QGZVFWFLSA-N 1 1 284.403 2.962 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cc3ccccc3n2C)C1 ZINC001030863601 779065469 /nfs/dbraw/zinc/06/54/69/779065469.db2.gz VUHAIAOJOIXCSX-UHFFFAOYSA-N 1 1 297.402 2.559 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCC[C@H](C)C2)C1 ZINC001030868974 779068098 /nfs/dbraw/zinc/06/80/98/779068098.db2.gz KZKAMZNCICEQKY-KBPBESRZSA-N 1 1 264.413 2.579 20 30 CFEDMO N#Cc1cccc(CCCN2CC[C@@H]3[NH2+]CCC[C@H]3C2)c1 ZINC001237379752 779085871 /nfs/dbraw/zinc/08/58/71/779085871.db2.gz CWRYXZJVFGNQFA-ROUUACIJSA-N 1 1 283.419 2.565 20 30 CFEDMO C=C1CCC(C(=O)NC2C[NH+](CC3CC(F)(F)C3)C2)CC1 ZINC001030900209 779086440 /nfs/dbraw/zinc/08/64/40/779086440.db2.gz QMLGBDFXKKXQSF-UHFFFAOYSA-N 1 1 298.377 2.579 20 30 CFEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](C)CC ZINC001272419605 779087545 /nfs/dbraw/zinc/08/75/45/779087545.db2.gz HKXGOLYTTZUFOH-RRFJBIMHSA-N 1 1 264.413 2.674 20 30 CFEDMO N#Cc1ccc(CCCN2CC[C@@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC001237381220 779087789 /nfs/dbraw/zinc/08/77/89/779087789.db2.gz IHXLNLDESSXBBG-MSOLQXFVSA-N 1 1 283.419 2.565 20 30 CFEDMO C=CCN1CC[C@]2(CCC[N@H+](C[C@@H](C)CC)CC2)C1=O ZINC001272420277 779089859 /nfs/dbraw/zinc/08/98/59/779089859.db2.gz KDOHQACLWTUTEV-DOTOQJQBSA-N 1 1 278.440 2.923 20 30 CFEDMO C=C(C)CN1CC[C@]2(CC[N@H+](C[C@H](C)CCC)C2)C1=O ZINC001272429003 779093655 /nfs/dbraw/zinc/09/36/55/779093655.db2.gz JFSYOWOEVJZZMH-WBVHZDCISA-N 1 1 278.440 2.923 20 30 CFEDMO C#CCN1CC[C@@]2(CCC[N@@H+]2C[C@@H](CC)CCCC)C1=O ZINC001272431782 779095645 /nfs/dbraw/zinc/09/56/45/779095645.db2.gz WMTJDUWXUUZQFV-WMZOPIPTSA-N 1 1 290.451 2.903 20 30 CFEDMO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C[C@@H](CC)CCCC ZINC001272431410 779096112 /nfs/dbraw/zinc/09/61/12/779096112.db2.gz VEUJNYPIKSJCEA-GVDBMIGSSA-N 1 1 290.451 2.901 20 30 CFEDMO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2C[C@H](C)CCC ZINC001272433023 779096769 /nfs/dbraw/zinc/09/67/69/779096769.db2.gz SYHBGPFFTGMBMC-NVXWUHKLSA-N 1 1 276.424 2.513 20 30 CFEDMO N#C[C@@H]1CCC[N@@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168440060 779098111 /nfs/dbraw/zinc/09/81/11/779098111.db2.gz FXGWZEAEKNJMII-LRDDRELGSA-N 1 1 258.340 2.919 20 30 CFEDMO N#C[C@@H]1CCC[N@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168440060 779098115 /nfs/dbraw/zinc/09/81/15/779098115.db2.gz FXGWZEAEKNJMII-LRDDRELGSA-N 1 1 258.340 2.919 20 30 CFEDMO C=CCN1c2ccccc2[C@@]2(CC[N@H+](CCCC)C2)C1=O ZINC001272464673 779112635 /nfs/dbraw/zinc/11/26/35/779112635.db2.gz UWZVWWMBOYOTDM-SFHVURJKSA-N 1 1 284.403 2.963 20 30 CFEDMO Cn1cc(C[N@@H+](C)CC2CC2)c2cc(C#N)ccc21 ZINC001237466188 779113763 /nfs/dbraw/zinc/11/37/63/779113763.db2.gz KSGBDLKMJBDKOM-UHFFFAOYSA-N 1 1 253.349 2.892 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)CC[C@H]1O ZINC001237467062 779114632 /nfs/dbraw/zinc/11/46/32/779114632.db2.gz RJWWWLJDRQZGHY-FZKQIMNGSA-N 1 1 297.402 2.643 20 30 CFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c2cc(C#N)ccc21 ZINC001237468338 779114699 /nfs/dbraw/zinc/11/46/99/779114699.db2.gz MFBDLRZVAPMIQD-KDOFPFPSSA-N 1 1 295.386 2.661 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)CCCC1=O ZINC001237467690 779115277 /nfs/dbraw/zinc/11/52/77/779115277.db2.gz YGOJQLGDURIZLK-CYBMUJFWSA-N 1 1 295.386 2.851 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)CCCC1=O ZINC001237467690 779115280 /nfs/dbraw/zinc/11/52/80/779115280.db2.gz YGOJQLGDURIZLK-CYBMUJFWSA-N 1 1 295.386 2.851 20 30 CFEDMO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCCCC ZINC001272475234 779118556 /nfs/dbraw/zinc/11/85/56/779118556.db2.gz CEHNFWXDCBVELA-QGZVFWFLSA-N 1 1 276.424 2.657 20 30 CFEDMO C=CCN1C(=O)C[C@]2(CCC[N@H+](CCCCCC)C2)C1=O ZINC001272476190 779119407 /nfs/dbraw/zinc/11/94/07/779119407.db2.gz JQPBQDHXFSNPPM-KRWDZBQOSA-N 1 1 292.423 2.594 20 30 CFEDMO C#CCN1CC[C@]2(CCC[N@H+](CCCCCC)CC2)C1=O ZINC001272476155 779119539 /nfs/dbraw/zinc/11/95/39/779119539.db2.gz JFZZTAHMYFQAAS-GOSISDBHSA-N 1 1 290.451 2.905 20 30 CFEDMO CCCCCCCC[N@H+]1CC[C@]2(CCN(C)C2=O)C1 ZINC001272478846 779124047 /nfs/dbraw/zinc/12/40/47/779124047.db2.gz QFOPWFKFOLBMLV-MRXNPFEDSA-N 1 1 266.429 2.901 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)CC)CC(C)(C)C1 ZINC001089286673 779133939 /nfs/dbraw/zinc/13/39/39/779133939.db2.gz DJENZQSCUZEHQF-CYBMUJFWSA-N 1 1 252.402 2.579 20 30 CFEDMO C#CC1CC[NH+](Cc2c(F)c(OC)ccc2OC)CC1 ZINC001237580298 779136535 /nfs/dbraw/zinc/13/65/35/779136535.db2.gz KNWSXGWYFVLKCC-UHFFFAOYSA-N 1 1 277.339 2.688 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)C2CC2)CC(C)(C)C1 ZINC001089292344 779138142 /nfs/dbraw/zinc/13/81/42/779138142.db2.gz HWTIROSJQCGKKS-HNNXBMFYSA-N 1 1 278.440 2.969 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237606086 779140656 /nfs/dbraw/zinc/14/06/56/779140656.db2.gz ITGHBJZYHZAYRI-BETUJISGSA-N 1 1 268.364 2.684 20 30 CFEDMO CCC(CC)[N@@H+](C)Cc1cn2cc(C#N)ccc2n1 ZINC001237607495 779141630 /nfs/dbraw/zinc/14/16/30/779141630.db2.gz XDOGSIXOSGYWRG-UHFFFAOYSA-N 1 1 256.353 2.826 20 30 CFEDMO CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CCCC#N ZINC001272495736 779142827 /nfs/dbraw/zinc/14/28/27/779142827.db2.gz PIIXTITZNLGIKV-HUUCEWRRSA-N 1 1 291.439 2.792 20 30 CFEDMO CC(C)(C)CC[N@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001272495745 779142976 /nfs/dbraw/zinc/14/29/76/779142976.db2.gz PNCAFHPOYBLACB-KRWDZBQOSA-N 1 1 291.439 2.793 20 30 CFEDMO CCC[N@@H+](Cc1cn2cc(C#N)ccc2n1)C1CCOCC1 ZINC001237618937 779145760 /nfs/dbraw/zinc/14/57/60/779145760.db2.gz URYBVSVWTFVLPK-UHFFFAOYSA-N 1 1 298.390 2.597 20 30 CFEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CCCC1 ZINC001272498801 779146092 /nfs/dbraw/zinc/14/60/92/779146092.db2.gz DMFCNVQXAVGHDY-KRWDZBQOSA-N 1 1 276.424 2.820 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001046333260 779146704 /nfs/dbraw/zinc/14/67/04/779146704.db2.gz XAMHTXSODILRFL-HDMKZQKVSA-N 1 1 290.451 2.663 20 30 CFEDMO N#CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2CC1CCC1 ZINC001272516091 779161645 /nfs/dbraw/zinc/16/16/45/779161645.db2.gz BOVDNCZZTXKXOX-KRWDZBQOSA-N 1 1 289.423 2.547 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cc(F)cc(Cl)c2)C1 ZINC001031003483 779167211 /nfs/dbraw/zinc/16/72/11/779167211.db2.gz RILVXEYMAIYVFV-UHFFFAOYSA-N 1 1 296.773 2.859 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001031002831 779167430 /nfs/dbraw/zinc/16/74/30/779167430.db2.gz RHSNTTLPFMNSIQ-FVQHAEBGSA-N 1 1 290.451 2.969 20 30 CFEDMO N#CC1CC[NH+](Cc2cccc(-c3ccccn3)n2)CC1 ZINC001237828053 779189819 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CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001034160736 780906686 /nfs/dbraw/zinc/90/66/86/780906686.db2.gz PYHNPBSOILBPLA-AWEZNQCLSA-N 1 1 276.380 2.667 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001034150798 780908154 /nfs/dbraw/zinc/90/81/54/780908154.db2.gz UBJIIUFMWQTDSB-ZDUSSCGKSA-N 1 1 295.814 2.660 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001034150798 780908161 /nfs/dbraw/zinc/90/81/61/780908161.db2.gz UBJIIUFMWQTDSB-ZDUSSCGKSA-N 1 1 295.814 2.660 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cnccc2C)C1 ZINC001034147660 780908515 /nfs/dbraw/zinc/90/85/15/780908515.db2.gz YGWFPEBCRFBXGP-HNNXBMFYSA-N 1 1 287.407 2.550 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC001034152720 780909579 /nfs/dbraw/zinc/90/95/79/780909579.db2.gz WQEPNGBHFRADLG-HNNXBMFYSA-N 1 1 288.391 2.504 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001034167073 780913034 /nfs/dbraw/zinc/91/30/34/780913034.db2.gz ZLLYLOIKLHNFCV-HNNXBMFYSA-N 1 1 288.391 2.504 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001034167779 780913107 /nfs/dbraw/zinc/91/31/07/780913107.db2.gz OJNSRJLAPDAQCH-KGLIPLIRSA-N 1 1 264.413 2.579 20 30 CFEDMO C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC001034162909 780913593 /nfs/dbraw/zinc/91/35/93/780913593.db2.gz WFCCZMOTSVMFBJ-MRXNPFEDSA-N 1 1 289.423 2.576 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C)sn2)C1 ZINC001034187275 780916809 /nfs/dbraw/zinc/91/68/09/780916809.db2.gz ILJXJMGXCZYZBZ-ZDUSSCGKSA-N 1 1 293.436 2.612 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001034198846 780921227 /nfs/dbraw/zinc/92/12/27/780921227.db2.gz OQJAHCJJFPAGPJ-CHWSQXEVSA-N 1 1 286.366 2.579 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)C2C=CC=CC=C2)C1 ZINC001034227832 780925769 /nfs/dbraw/zinc/92/57/69/780925769.db2.gz NEVRJUCPOZMVFF-QGZVFWFLSA-N 1 1 286.419 2.832 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001034220532 780925919 /nfs/dbraw/zinc/92/59/19/780925919.db2.gz ATSYRAOZTPEOFS-HNNXBMFYSA-N 1 1 275.396 2.565 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2cc3occc3[nH]2)C1 ZINC001034231160 780927261 /nfs/dbraw/zinc/92/72/61/780927261.db2.gz LHRXLQJQLXCHHW-LBPRGKRZSA-N 1 1 287.363 2.531 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001034223539 780929906 /nfs/dbraw/zinc/92/99/06/780929906.db2.gz PHJRXKMRBLZPFM-CQSZACIVSA-N 1 1 264.413 2.723 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001034261290 780932790 /nfs/dbraw/zinc/93/27/90/780932790.db2.gz UZAVTDLLIXXCLV-QWHCGFSZSA-N 1 1 286.366 2.579 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034268394 780935023 /nfs/dbraw/zinc/93/50/23/780935023.db2.gz JADOWUUBQZVWLD-GDBMZVCRSA-N 1 1 278.440 2.969 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034265357 780935673 /nfs/dbraw/zinc/93/56/73/780935673.db2.gz KDWKKEMYKIUYOD-ZBFHGGJFSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001034271930 780936897 /nfs/dbraw/zinc/93/68/97/780936897.db2.gz KDVODODWQGVVOK-HUUCEWRRSA-N 1 1 276.424 2.723 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)C2CCCCCCC2)C1 ZINC001034304636 780945458 /nfs/dbraw/zinc/94/54/58/780945458.db2.gz WEVWJDWQKHPBIY-QGZVFWFLSA-N 1 1 290.451 2.951 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001034318716 780946338 /nfs/dbraw/zinc/94/63/38/780946338.db2.gz FAKDPBHZVRQBOD-JYJNAYRXSA-N 1 1 276.424 2.579 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001034330095 780946902 /nfs/dbraw/zinc/94/69/02/780946902.db2.gz IMUQSVPENHRAQW-INIZCTEOSA-N 1 1 290.451 2.807 20 30 CFEDMO N#Cc1ncc(C2=CC[N@@H+](Cc3ccccc3)CC2)cn1 ZINC001241504325 780946950 /nfs/dbraw/zinc/94/69/50/780946950.db2.gz RSNLICDMKAXWMU-UHFFFAOYSA-N 1 1 276.343 2.638 20 30 CFEDMO C=CCC[N@H+]1CCO[C@@](C)(CNC(=O)CC(C)=C(C)C)C1 ZINC001108125028 780947386 /nfs/dbraw/zinc/94/73/86/780947386.db2.gz WRHYPIVPEGWVST-KRWDZBQOSA-N 1 1 294.439 2.516 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001034332648 780947474 /nfs/dbraw/zinc/94/74/74/780947474.db2.gz XQPKSSNWEHYRLS-INIZCTEOSA-N 1 1 290.451 2.807 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034355469 780950791 /nfs/dbraw/zinc/95/07/91/780950791.db2.gz PTLDKJCAKCQGHF-CVEARBPZSA-N 1 1 290.451 2.807 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001034343226 780952355 /nfs/dbraw/zinc/95/23/55/780952355.db2.gz PISGULPCMNPWNW-JKSUJKDBSA-N 1 1 276.424 2.890 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(F)c2F)C1 ZINC001034368210 780954960 /nfs/dbraw/zinc/95/49/60/780954960.db2.gz KDOWOYFXNMLZPH-GFCCVEGCSA-N 1 1 294.345 2.735 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001034374194 780956553 /nfs/dbraw/zinc/95/65/53/780956553.db2.gz WTJZLLZMEBXZPN-AWEZNQCLSA-N 1 1 287.407 2.662 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2coc(C(F)F)c2)C1 ZINC001034371451 780957293 /nfs/dbraw/zinc/95/72/93/780957293.db2.gz JATXDBATRJFBBC-GFCCVEGCSA-N 1 1 298.333 2.988 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001034383918 780960472 /nfs/dbraw/zinc/96/04/72/780960472.db2.gz AZTFRYPVEGTXIY-HZPDHXFCSA-N 1 1 290.451 2.807 20 30 CFEDMO C=C1CC(C)(C(=O)N[C@H]2CCCC[N@H+](CCC)C2)C1 ZINC001034383810 780960764 /nfs/dbraw/zinc/96/07/64/780960764.db2.gz BHOYLZYUGBNFJU-AWEZNQCLSA-N 1 1 264.413 2.723 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001034395486 780965098 /nfs/dbraw/zinc/96/50/98/780965098.db2.gz XAJQFYCNGLSRMM-LSDHHAIUSA-N 1 1 290.407 2.930 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001034425648 780968128 /nfs/dbraw/zinc/96/81/28/780968128.db2.gz WPHYFAYUEUZGJN-INIZCTEOSA-N 1 1 290.382 2.904 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001034416465 780971392 /nfs/dbraw/zinc/97/13/92/780971392.db2.gz BQCYKTYDEFICNK-INIZCTEOSA-N 1 1 284.403 2.521 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2csc(Cl)c2)C1 ZINC001034436005 780974557 /nfs/dbraw/zinc/97/45/57/780974557.db2.gz XOTPVNMOGFLFRC-LBPRGKRZSA-N 1 1 296.823 2.619 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2csc(Cl)c2)C1 ZINC001034436004 780975355 /nfs/dbraw/zinc/97/53/55/780975355.db2.gz XOTPVNMOGFLFRC-GFCCVEGCSA-N 1 1 296.823 2.619 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2nccs2)C1 ZINC001034462763 780975832 /nfs/dbraw/zinc/97/58/32/780975832.db2.gz VQARVIICADBSNK-CYBMUJFWSA-N 1 1 293.436 2.694 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001034438753 780976446 /nfs/dbraw/zinc/97/64/46/780976446.db2.gz PRSRJTFRLWIHQI-ZDUSSCGKSA-N 1 1 291.395 2.568 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2csc(Cl)n2)C1 ZINC001034473014 780982760 /nfs/dbraw/zinc/98/27/60/780982760.db2.gz FLVOGAQWXFRXKO-JTQLQIEISA-N 1 1 299.827 2.567 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)c2ccc(C)cc2)C1 ZINC001034501185 780986472 /nfs/dbraw/zinc/98/64/72/780986472.db2.gz KZTUAVVMCHAXGT-AEFFLSMTSA-N 1 1 298.430 2.702 20 30 CFEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCCC[N@H+](C(C)C)C1 ZINC001034504922 780988197 /nfs/dbraw/zinc/98/81/97/780988197.db2.gz GDOOUTHPHJQEDF-SFHVURJKSA-N 1 1 298.430 2.590 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001034519372 780992850 /nfs/dbraw/zinc/99/28/50/780992850.db2.gz IWASJLJQPPGJHC-SFHVURJKSA-N 1 1 298.430 2.946 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001034519966 780992971 /nfs/dbraw/zinc/99/29/71/780992971.db2.gz UKLSHMMGNLGODL-SFHVURJKSA-N 1 1 298.430 2.911 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001034520617 780993030 /nfs/dbraw/zinc/99/30/30/780993030.db2.gz IEUCZDBLLDAIQI-QGZVFWFLSA-N 1 1 298.430 2.829 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001034537099 780994425 /nfs/dbraw/zinc/99/44/25/780994425.db2.gz KPUDVFIKBGOHBJ-SJORKVTESA-N 1 1 298.430 2.702 20 30 CFEDMO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)c1ccccn1)CC2 ZINC001035151131 781116167 /nfs/dbraw/zinc/11/61/67/781116167.db2.gz DWDOBLSMYDBHIF-UHFFFAOYSA-N 1 1 299.418 2.586 20 30 CFEDMO C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1[C@@H]3CCC[C@@H]31)CC2 ZINC001035172441 781121910 /nfs/dbraw/zinc/12/19/10/781121910.db2.gz NBUZEEHWCHACDM-ZSHCYNCHSA-N 1 1 288.435 2.533 20 30 CFEDMO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)C1CC=CC1)CC2 ZINC001035169496 781122026 /nfs/dbraw/zinc/12/20/26/781122026.db2.gz CBUCWVOFQMFETN-UHFFFAOYSA-N 1 1 288.435 2.843 20 30 CFEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)/C(C)=C/C)CC2 ZINC001035176760 781124071 /nfs/dbraw/zinc/12/40/71/781124071.db2.gz XCLWXHXBLTVLMX-PJQLUOCWSA-N 1 1 276.424 2.843 20 30 CFEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)/C(C)=C\C)CC2 ZINC001035176761 781124548 /nfs/dbraw/zinc/12/45/48/781124548.db2.gz XCLWXHXBLTVLMX-WCSRMQSCSA-N 1 1 276.424 2.843 20 30 CFEDMO C=CC[N@H+]1CCC2(C1)CCN(C(=O)C1(C3CC3)CC1)CC2 ZINC001035195860 781126926 /nfs/dbraw/zinc/12/69/26/781126926.db2.gz XANUBVIKWFLJHE-UHFFFAOYSA-N 1 1 288.435 2.677 20 30 CFEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1cocc1C)CC2 ZINC001035216541 781131840 /nfs/dbraw/zinc/13/18/40/781131840.db2.gz MCRKIAMLZWVGJF-UHFFFAOYSA-N 1 1 288.391 2.702 20 30 CFEDMO Cc1cc(C#N)cc(-c2cccc(C[NH+]3CCOCC3)c2)n1 ZINC001241816392 781141449 /nfs/dbraw/zinc/14/14/49/781141449.db2.gz TZMUVYHHDAXGLT-UHFFFAOYSA-N 1 1 293.370 2.761 20 30 CFEDMO Cc1ccc(C#N)nc1-c1ccccc1C[NH+]1CCOCC1 ZINC001241984948 781215781 /nfs/dbraw/zinc/21/57/81/781215781.db2.gz XPCJPNYYWWOJBB-UHFFFAOYSA-N 1 1 293.370 2.761 20 30 CFEDMO N#CCc1cc(-c2ccccc2C[NH+]2CCOCC2)ccn1 ZINC001241994325 781220948 /nfs/dbraw/zinc/22/09/48/781220948.db2.gz UQCPHGKWXJOWGQ-UHFFFAOYSA-N 1 1 293.370 2.647 20 30 CFEDMO C#CC1(O)CC[NH+](Cc2cccc(Cl)c2Cl)CC1 ZINC000708165227 781266501 /nfs/dbraw/zinc/26/65/01/781266501.db2.gz ITFFHBAJJSLPPB-UHFFFAOYSA-N 1 1 284.186 2.954 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000708493090 781291290 /nfs/dbraw/zinc/29/12/90/781291290.db2.gz RUAKPGYJVBSMNG-UKRRQHHQSA-N 1 1 250.386 2.960 20 30 CFEDMO 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269.392 2.642 20 30 CFEDMO C=C(C)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172289 346583577 /nfs/dbraw/zinc/58/35/77/346583577.db2.gz USOWKILNZLXTCR-UHFFFAOYSA-N 1 1 269.392 2.642 20 30 CFEDMO C=C(C)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055172289 346583579 /nfs/dbraw/zinc/58/35/79/346583579.db2.gz USOWKILNZLXTCR-UHFFFAOYSA-N 1 1 269.392 2.642 20 30 CFEDMO CCC[N@H+]1CCCN(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000060330216 346661958 /nfs/dbraw/zinc/66/19/58/346661958.db2.gz DKDQEMSOFODYLR-UHFFFAOYSA-N 1 1 286.379 2.508 20 30 CFEDMO C[C@@H](CNC(=O)C1(C#N)CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000057388189 346625600 /nfs/dbraw/zinc/62/56/00/346625600.db2.gz WLZAKBWDIUYYMU-GJZGRUSLSA-N 1 1 291.439 2.840 20 30 CFEDMO Cc1cc(CO[NH+]=C(N)CCCc2ccccc2)on1 ZINC000057858456 346638776 /nfs/dbraw/zinc/63/87/76/346638776.db2.gz HSGADJZFTBPFFQ-UHFFFAOYSA-N 1 1 273.336 2.795 20 30 CFEDMO CC[N@@H+](CCCN1CCCC1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000066422005 346760178 /nfs/dbraw/zinc/76/01/78/346760178.db2.gz 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347261872 /nfs/dbraw/zinc/26/18/72/347261872.db2.gz NHYISDNAKFVIGN-GFCCVEGCSA-N 1 1 292.814 2.775 20 30 CFEDMO CC[N@H+]1CCC[C@H](Nc2nc(C(F)(F)F)ccc2C#N)C1 ZINC000078834408 347276407 /nfs/dbraw/zinc/27/64/07/347276407.db2.gz CMXBWNLMDVUBCQ-NSHDSACASA-N 1 1 298.312 2.868 20 30 CFEDMO N#CCc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000079551718 347312453 /nfs/dbraw/zinc/31/24/53/347312453.db2.gz DGNVMPAVLDKGQF-JKSUJKDBSA-N 1 1 298.390 2.501 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C#Cc1ccccc1 ZINC000081552281 347425593 /nfs/dbraw/zinc/42/55/93/347425593.db2.gz RJWFSJRRGYTHGR-QGZVFWFLSA-N 1 1 298.430 2.809 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)o1 ZINC000091958599 347603764 /nfs/dbraw/zinc/60/37/64/347603764.db2.gz SUTJTCPJDABFNO-DOMZBBRYSA-N 1 1 286.331 2.832 20 30 CFEDMO C[N@H+]1CCC[C@H](CNc2c(Cl)cccc2C#N)C1 ZINC000091482957 347589701 /nfs/dbraw/zinc/58/97/01/347589701.db2.gz NZHFIWYLURQRPE-LLVKDONJSA-N 1 1 263.772 2.965 20 30 CFEDMO C[C@H](CC#N)[N@H+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000093090995 347661535 /nfs/dbraw/zinc/66/15/35/347661535.db2.gz JHVJSTCGUUNAMQ-CYBMUJFWSA-N 1 1 268.364 2.821 20 30 CFEDMO C[C@H](CC#N)[N@@H+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000093090995 347661537 /nfs/dbraw/zinc/66/15/37/347661537.db2.gz JHVJSTCGUUNAMQ-CYBMUJFWSA-N 1 1 268.364 2.821 20 30 CFEDMO C[N@@H+](CCNc1snc(Cl)c1C#N)C1CCCC1 ZINC000092650496 347636621 /nfs/dbraw/zinc/63/66/21/347636621.db2.gz KJCYRNSTCITHEJ-UHFFFAOYSA-N 1 1 284.816 2.954 20 30 CFEDMO C[C@H]1CCC[C@@H](C[N@@H+](C)CCCc2[nH]nc(N)c2C#N)C1 ZINC000092807904 347648047 /nfs/dbraw/zinc/64/80/47/347648047.db2.gz PWJJDWUMGXHGMH-QWHCGFSZSA-N 1 1 289.427 2.554 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cc1 ZINC000093482808 347675987 /nfs/dbraw/zinc/67/59/87/347675987.db2.gz DOQBZOAHANFSLZ-NVXWUHKLSA-N 1 1 287.403 2.824 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cc1 ZINC000093482806 347676328 /nfs/dbraw/zinc/67/63/28/347676328.db2.gz DOQBZOAHANFSLZ-WBVHZDCISA-N 1 1 287.403 2.824 20 30 CFEDMO CC#CC[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093329132 347670119 /nfs/dbraw/zinc/67/01/19/347670119.db2.gz UXBVZWHCIUJGJO-GFCCVEGCSA-N 1 1 284.281 2.577 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@H](CCO)c1ccccc1 ZINC000093442497 347673981 /nfs/dbraw/zinc/67/39/81/347673981.db2.gz DAHTWAYRULQUDI-MRXNPFEDSA-N 1 1 270.332 2.707 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000120174753 347805990 /nfs/dbraw/zinc/80/59/90/347805990.db2.gz ABIRKABOORVMPQ-QGZVFWFLSA-N 1 1 286.419 2.901 20 30 CFEDMO Cc1cc(C)c(C#N)c(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)n1 ZINC000129839401 347864875 /nfs/dbraw/zinc/86/48/75/347864875.db2.gz GATUQSGWSMQWAS-SWLSCSKDSA-N 1 1 272.396 2.711 20 30 CFEDMO CN(CC#Cc1ccc(F)cc1)CC[C@H]1CCCC[N@H+]1C ZINC000153833256 347975686 /nfs/dbraw/zinc/97/56/86/347975686.db2.gz AJECAWYQXUYRPC-GOSISDBHSA-N 1 1 288.410 2.983 20 30 CFEDMO C[C@H]1C[C@@H](Nc2nc3c(cc2C#N)CCCC3)CC[N@H+]1C ZINC000157953809 348004461 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/nfs/dbraw/zinc/39/09/68/187390968.db2.gz XNAIVUMBEXRFBZ-SJLPKXTDSA-N 1 1 289.419 2.685 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245772492 348257807 /nfs/dbraw/zinc/25/78/07/348257807.db2.gz SCIHGGFRRFLDQN-FUHWJXTLSA-N 1 1 285.387 2.700 20 30 CFEDMO C#CCCCNc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000270907971 190865398 /nfs/dbraw/zinc/86/53/98/190865398.db2.gz LEVVZZZVFJKNTC-OAHLLOKOSA-N 1 1 272.392 2.905 20 30 CFEDMO CC[N@H+]1CCN(c2cc(C#N)c3ccccc3n2)C[C@H]1C ZINC000250196772 348286132 /nfs/dbraw/zinc/28/61/32/348286132.db2.gz AZBIDSHUIPLKFT-CYBMUJFWSA-N 1 1 280.375 2.637 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253311987 348300387 /nfs/dbraw/zinc/30/03/87/348300387.db2.gz VNYXEMYDPZYEHK-RCCFBDPRSA-N 1 1 284.403 2.992 20 30 CFEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](CCC(=O)N(C)CCC#N)C1 ZINC000285781904 348346200 /nfs/dbraw/zinc/34/62/00/348346200.db2.gz SOJVNGFFXZAENL-DOTOQJQBSA-N 1 1 299.418 2.832 20 30 CFEDMO C=CCNC(=O)CNc1cc[nH+]c2cc(Cl)ccc12 ZINC000302039925 348372544 /nfs/dbraw/zinc/37/25/44/348372544.db2.gz NIUUTKKUWTXFJH-UHFFFAOYSA-N 1 1 275.739 2.602 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](CO)CC1 ZINC000293350287 348362211 /nfs/dbraw/zinc/36/22/11/348362211.db2.gz ZFIQNTYUYSLAAZ-DZGCQCFKSA-N 1 1 258.365 2.714 20 30 CFEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC3(C2)Oc2ccccc2O3)C1 ZINC000293545825 348362863 /nfs/dbraw/zinc/36/28/63/348362863.db2.gz KQPNZURFSQHCRE-OLZOCXBDSA-N 1 1 270.332 2.552 20 30 CFEDMO C[C@@H](NC[C@H](C)C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309743299 348407514 /nfs/dbraw/zinc/40/75/14/348407514.db2.gz WSKHDMDQLOBBAF-BFYDXBDKSA-N 1 1 271.408 2.646 20 30 CFEDMO C[C@@H](C#N)C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000312258301 348417271 /nfs/dbraw/zinc/41/72/71/348417271.db2.gz AEUDPNOUWXWPRO-QMMMGPOBSA-N 1 1 271.133 2.837 20 30 CFEDMO CCc1nc(C#N)cc(NCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000308183993 348402938 /nfs/dbraw/zinc/40/29/38/348402938.db2.gz ZGVVCKPUFOHRFI-ZDUSSCGKSA-N 1 1 287.411 2.587 20 30 CFEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccccc1OCC(=O)OC ZINC000273413444 192142148 /nfs/dbraw/zinc/14/21/48/192142148.db2.gz WPRFHDNANGLLNQ-NSHDSACASA-N 1 1 283.755 2.642 20 30 CFEDMO C=CCCC1(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000354592509 348501712 /nfs/dbraw/zinc/50/17/12/348501712.db2.gz DEZUBMLAIJJFPU-GJZGRUSLSA-N 1 1 278.440 2.969 20 30 CFEDMO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@]2(CCCOC2)O1 ZINC000366482545 348512664 /nfs/dbraw/zinc/51/26/64/348512664.db2.gz HOYWAVYMZRWWPZ-ZBFHGGJFSA-N 1 1 280.412 2.586 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C)[C@H](C)CO1 ZINC000403881144 348588522 /nfs/dbraw/zinc/58/85/22/348588522.db2.gz TVKDOHYEOWIJDK-CZUORRHYSA-N 1 1 258.365 2.866 20 30 CFEDMO C=C(C)C(C)(C)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000424693570 348611286 /nfs/dbraw/zinc/61/12/86/348611286.db2.gz OXLIKKFKLLZXDC-UHFFFAOYSA-N 1 1 261.369 2.520 20 30 CFEDMO COc1ccc(CC[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000397801801 348564340 /nfs/dbraw/zinc/56/43/40/348564340.db2.gz GDJNFMWEFZZWSI-OAHLLOKOSA-N 1 1 258.365 2.863 20 30 CFEDMO CC[N@H+]1CCCN(Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000399261284 348568764 /nfs/dbraw/zinc/56/87/64/348568764.db2.gz PVRGCOCCRKKIOB-OAHLLOKOSA-N 1 1 271.408 2.669 20 30 CFEDMO CCN1CCC[N@H+](Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000399261284 348568766 /nfs/dbraw/zinc/56/87/66/348568766.db2.gz PVRGCOCCRKKIOB-OAHLLOKOSA-N 1 1 271.408 2.669 20 30 CFEDMO CCN1CCC[N@@H+](Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000399261284 348568769 /nfs/dbraw/zinc/56/87/69/348568769.db2.gz PVRGCOCCRKKIOB-OAHLLOKOSA-N 1 1 271.408 2.669 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000491429920 348628049 /nfs/dbraw/zinc/62/80/49/348628049.db2.gz WLPAFZDQCDPTNJ-RHSMWYFYSA-N 1 1 284.403 2.524 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=S)Nc1cccc(C)c1C ZINC000491781905 348630564 /nfs/dbraw/zinc/63/05/64/348630564.db2.gz LKEVCCJYIFBFCZ-UHFFFAOYSA-N 1 1 289.448 2.545 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000493783186 348636306 /nfs/dbraw/zinc/63/63/06/348636306.db2.gz 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ZINC000586829700 348757231 /nfs/dbraw/zinc/75/72/31/348757231.db2.gz VYYBPGUQNHSYFV-UHFFFAOYSA-N 1 1 298.386 2.545 20 30 CFEDMO CC[C@](C)(C#N)c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000589136899 348813026 /nfs/dbraw/zinc/81/30/26/348813026.db2.gz NUILYMAKDLHBFV-UKAJUAJCSA-N 1 1 274.368 2.601 20 30 CFEDMO CCC[N@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000589350944 348829473 /nfs/dbraw/zinc/82/94/73/348829473.db2.gz CGWOBEFAIGSEBW-ILXRZTDVSA-N 1 1 251.418 2.779 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000589350944 348829477 /nfs/dbraw/zinc/82/94/77/348829477.db2.gz CGWOBEFAIGSEBW-ILXRZTDVSA-N 1 1 251.418 2.779 20 30 CFEDMO CCC[N@H+](CC)C[C@@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000589350944 348829481 /nfs/dbraw/zinc/82/94/81/348829481.db2.gz CGWOBEFAIGSEBW-ILXRZTDVSA-N 1 1 251.418 2.779 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H]1CCC[C@H](C#N)C1 ZINC000589350944 348829483 /nfs/dbraw/zinc/82/94/83/348829483.db2.gz CGWOBEFAIGSEBW-ILXRZTDVSA-N 1 1 251.418 2.779 20 30 CFEDMO CC[C@H](C)[N@@H+](C)CCNc1cc(C#N)nc2ccccc21 ZINC000589571675 348838769 /nfs/dbraw/zinc/83/87/69/348838769.db2.gz FZDXWQGQQIXUIT-ZDUSSCGKSA-N 1 1 282.391 2.671 20 30 CFEDMO C[N@@H+]1CCN(C(=O)CCCCCC#N)c2ccccc2C1 ZINC000588923013 348802749 /nfs/dbraw/zinc/80/27/49/348802749.db2.gz VVACABXCTFBJRO-UHFFFAOYSA-N 1 1 285.391 2.939 20 30 CFEDMO C[N@H+]1CCN(C(=O)CCCCCC#N)c2ccccc2C1 ZINC000588923013 348802754 /nfs/dbraw/zinc/80/27/54/348802754.db2.gz VVACABXCTFBJRO-UHFFFAOYSA-N 1 1 285.391 2.939 20 30 CFEDMO CC1(C)C[N@H+](Cc2cccc(F)c2C#N)CCCO1 ZINC000589985178 348867198 /nfs/dbraw/zinc/86/71/98/348867198.db2.gz GOFSLDDKTKLSSB-UHFFFAOYSA-N 1 1 262.328 2.698 20 30 CFEDMO CC1(C)C[N@@H+](Cc2cccc(F)c2C#N)CCCO1 ZINC000589985178 348867202 /nfs/dbraw/zinc/86/72/02/348867202.db2.gz GOFSLDDKTKLSSB-UHFFFAOYSA-N 1 1 262.328 2.698 20 30 CFEDMO CN1C[C@@H]2CC[N@@H+](Cc3ccc(C(C)(C)C#N)cc3)[C@@H]2C1 ZINC000590012456 348869911 /nfs/dbraw/zinc/86/99/11/348869911.db2.gz SCLMAUYIRKHLRX-DOTOQJQBSA-N 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C[C@H](CC#N)[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000590602107 348913618 /nfs/dbraw/zinc/91/36/18/348913618.db2.gz FLYXJXHWYXHXSF-ZIAGYGMSSA-N 1 1 279.428 2.505 20 30 CFEDMO CCN1C[C@@H](C[N@@H+](C)[C@H](C)CCC#N)Oc2ccccc21 ZINC000591010427 348977813 /nfs/dbraw/zinc/97/78/13/348977813.db2.gz VPHXLPTYUAWRLD-HUUCEWRRSA-N 1 1 287.407 2.898 20 30 CFEDMO N#CC1(CC[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)CCCCC1 ZINC000591016101 348978719 /nfs/dbraw/zinc/97/87/19/348978719.db2.gz XMGODQFPLFZOEH-HZPDHXFCSA-N 1 1 292.423 2.730 20 30 CFEDMO N#CC1(CC[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)CCCCC1 ZINC000591016101 348978722 /nfs/dbraw/zinc/97/87/22/348978722.db2.gz XMGODQFPLFZOEH-HZPDHXFCSA-N 1 1 292.423 2.730 20 30 CFEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@@H](C)CCC#N)C1 ZINC000591022859 348979317 /nfs/dbraw/zinc/97/93/17/348979317.db2.gz LNGZOFFSNBJVJQ-QWHCGFSZSA-N 1 1 266.385 2.590 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000591041371 348981418 /nfs/dbraw/zinc/98/14/18/348981418.db2.gz DXMYRRLNJCVUGK-UHFFFAOYSA-N 1 1 280.375 2.549 20 30 CFEDMO COC(=O)c1cccc(C[N@H+]2CC[C@@H](C3CCC3)C2)c1C#N ZINC000591063026 348982459 /nfs/dbraw/zinc/98/24/59/348982459.db2.gz GYNFXTAMLUGYBW-CQSZACIVSA-N 1 1 298.386 2.967 20 30 CFEDMO N#Cc1cnc(NC[C@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000591159106 348994618 /nfs/dbraw/zinc/99/46/18/348994618.db2.gz CKZURPSTPIXWHZ-CYBMUJFWSA-N 1 1 274.343 2.521 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2ccc3c(n2)CCC3)c(F)c1 ZINC000590956306 348972387 /nfs/dbraw/zinc/97/23/87/348972387.db2.gz KUHMXCRDZQLSKD-UHFFFAOYSA-N 1 1 281.334 2.871 20 30 CFEDMO CCC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccn1 ZINC000591734482 349041138 /nfs/dbraw/zinc/04/11/38/349041138.db2.gz DDOGXULTLHXBTC-UONOGXRCSA-N 1 1 256.353 2.956 20 30 CFEDMO N#CCC[NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000591740075 349041341 /nfs/dbraw/zinc/04/13/41/349041341.db2.gz RKSGALFPKZFLGG-GFCCVEGCSA-N 1 1 283.297 2.787 20 30 CFEDMO C[N@H+]1C[C@@H]2CCCN(c3nc(C(C)(C)C)ccc3C#N)[C@@H]2C1 ZINC000591830114 349049425 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CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccncc2C#N)C1(C)C ZINC000592072990 349079884 /nfs/dbraw/zinc/07/98/84/349079884.db2.gz UCIJSGQBJPLGKW-LSDHHAIUSA-N 1 1 273.380 2.589 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccncc2C#N)C1 ZINC000592079607 349080267 /nfs/dbraw/zinc/08/02/67/349080267.db2.gz DBSXUXNMGYPAHC-RVKKMQEKSA-N 1 1 298.434 2.790 20 30 CFEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)Cc1ccncc1C#N ZINC000592081921 349080831 /nfs/dbraw/zinc/08/08/31/349080831.db2.gz DWEJRIFXRQCMAB-HZPDHXFCSA-N 1 1 287.407 2.979 20 30 CFEDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1ccncc1C#N ZINC000592081921 349080832 /nfs/dbraw/zinc/08/08/32/349080832.db2.gz DWEJRIFXRQCMAB-HZPDHXFCSA-N 1 1 287.407 2.979 20 30 CFEDMO C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592091858 349081321 /nfs/dbraw/zinc/08/13/21/349081321.db2.gz MKRNSYOJCKYXOA-HNNXBMFYSA-N 1 1 295.386 2.726 20 30 CFEDMO C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592091858 349081326 /nfs/dbraw/zinc/08/13/26/349081326.db2.gz 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CFEDMO C=CCN(C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000161947054 378882960 /nfs/dbraw/zinc/88/29/60/378882960.db2.gz UTHXRKVKVSDKBS-MRXNPFEDSA-N 1 1 290.382 2.825 20 30 CFEDMO C=CCN(C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000161947054 378882965 /nfs/dbraw/zinc/88/29/65/378882965.db2.gz UTHXRKVKVSDKBS-MRXNPFEDSA-N 1 1 290.382 2.825 20 30 CFEDMO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cc(F)ccc1C#N ZINC000162031177 378889671 /nfs/dbraw/zinc/88/96/71/378889671.db2.gz XIQNWZJOWKIOJL-UHFFFAOYSA-N 1 1 292.354 2.861 20 30 CFEDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cc(F)ccc1C#N ZINC000162031177 378889678 /nfs/dbraw/zinc/88/96/78/378889678.db2.gz XIQNWZJOWKIOJL-UHFFFAOYSA-N 1 1 292.354 2.861 20 30 CFEDMO C[C@@H]1C[N@H+](CCCCNc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000161811770 378873488 /nfs/dbraw/zinc/87/34/88/378873488.db2.gz ZZLXKYPRYCVEGK-GASCZTMLSA-N 1 1 287.407 2.860 20 30 CFEDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cccc(F)c1C#N ZINC000334218614 378941931 /nfs/dbraw/zinc/94/19/31/378941931.db2.gz YGVRFJQFTVFJSV-ZYHUDNBSSA-N 1 1 275.327 2.833 20 30 CFEDMO C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cccc(F)c1C#N ZINC000334218614 378941937 /nfs/dbraw/zinc/94/19/37/378941937.db2.gz YGVRFJQFTVFJSV-ZYHUDNBSSA-N 1 1 275.327 2.833 20 30 CFEDMO Cc1cc(C#N)ccc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000163157841 378957221 /nfs/dbraw/zinc/95/72/21/378957221.db2.gz UDRPCKGQTQAEJI-UHFFFAOYSA-N 1 1 299.418 2.861 20 30 CFEDMO CC1(C)CC[N@@H+](Cc2ccc(C#N)o2)CCS1 ZINC000335273431 379003569 /nfs/dbraw/zinc/00/35/69/379003569.db2.gz HXKJROFJEDLMEE-UHFFFAOYSA-N 1 1 250.367 2.869 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000278709307 194115370 /nfs/dbraw/zinc/11/53/70/194115370.db2.gz UGEBGVIBYGYYCJ-OAHLLOKOSA-N 1 1 252.321 2.618 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000278709307 194115372 /nfs/dbraw/zinc/11/53/72/194115372.db2.gz UGEBGVIBYGYYCJ-OAHLLOKOSA-N 1 1 252.321 2.618 20 30 CFEDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000330852308 335042973 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N#Cc1cccc(C[N@@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000335432144 379285514 /nfs/dbraw/zinc/28/55/14/379285514.db2.gz BIPUTBQTKYPKCT-INIZCTEOSA-N 1 1 256.349 2.559 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCOC[C@H]2C2CCC2)c1 ZINC000335432144 379285521 /nfs/dbraw/zinc/28/55/21/379285521.db2.gz BIPUTBQTKYPKCT-INIZCTEOSA-N 1 1 256.349 2.559 20 30 CFEDMO Clc1ccccc1C#CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335424881 379274006 /nfs/dbraw/zinc/27/40/06/379274006.db2.gz UNNFZRZUVGBKRN-ZBFHGGJFSA-N 1 1 275.779 2.802 20 30 CFEDMO Clc1ccccc1C#CC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335424881 379274015 /nfs/dbraw/zinc/27/40/15/379274015.db2.gz UNNFZRZUVGBKRN-ZBFHGGJFSA-N 1 1 275.779 2.802 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1F ZINC000335445907 379310002 /nfs/dbraw/zinc/31/00/02/379310002.db2.gz MNLRYIRFHVKSBR-AWEZNQCLSA-N 1 1 284.338 2.800 20 30 CFEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)/C=C/c1ccccc1C#N ZINC000171873895 379425687 /nfs/dbraw/zinc/42/56/87/379425687.db2.gz WBWXLNSMEVFPOC-DVQDXYAYSA-N 1 1 297.402 2.562 20 30 CFEDMO C[C@H](O[NH+]=C(N)C1CCCC1)C(=O)Nc1cccc(F)c1 ZINC000172069553 379483956 /nfs/dbraw/zinc/48/39/56/379483956.db2.gz UGAXZDYUHLMFPM-JTQLQIEISA-N 1 1 293.342 2.632 20 30 CFEDMO C[N@H+](Cc1cccc(F)c1C#N)[C@H]1CCSC1 ZINC000334541269 379489384 /nfs/dbraw/zinc/48/93/84/379489384.db2.gz LLMLOLNJOVOFLL-NSHDSACASA-N 1 1 250.342 2.635 20 30 CFEDMO C[N@@H+](Cc1cccc(F)c1C#N)[C@H]1CCSC1 ZINC000334541269 379489388 /nfs/dbraw/zinc/48/93/88/379489388.db2.gz LLMLOLNJOVOFLL-NSHDSACASA-N 1 1 250.342 2.635 20 30 CFEDMO COCC[N@@H+](CCc1cccnc1)Cc1ccc(C#N)cc1 ZINC000172157905 379504423 /nfs/dbraw/zinc/50/44/23/379504423.db2.gz KIFVYIVNOFPQRW-UHFFFAOYSA-N 1 1 295.386 2.644 20 30 CFEDMO C[N@H+]1CCN(CCC2(C#N)CCCCC2)C(C)(C)C1 ZINC000334558163 379523855 /nfs/dbraw/zinc/52/38/55/379523855.db2.gz KLUGTRPWYCBRRH-UHFFFAOYSA-N 1 1 263.429 2.877 20 30 CFEDMO CN1CC[N@H+](CCC2(C#N)CCCCC2)C(C)(C)C1 ZINC000334558163 379523862 /nfs/dbraw/zinc/52/38/62/379523862.db2.gz KLUGTRPWYCBRRH-UHFFFAOYSA-N 1 1 263.429 2.877 20 30 CFEDMO CN1CC[N@@H+](CCC2(C#N)CCCCC2)C(C)(C)C1 ZINC000334558163 379523870 /nfs/dbraw/zinc/52/38/70/379523870.db2.gz KLUGTRPWYCBRRH-UHFFFAOYSA-N 1 1 263.429 2.877 20 30 CFEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000266962971 190293457 /nfs/dbraw/zinc/29/34/57/190293457.db2.gz XDBXLKJMSQQEOZ-CYBMUJFWSA-N 1 1 281.359 2.517 20 30 CFEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000266962971 190293458 /nfs/dbraw/zinc/29/34/58/190293458.db2.gz XDBXLKJMSQQEOZ-CYBMUJFWSA-N 1 1 281.359 2.517 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000334606655 379613495 /nfs/dbraw/zinc/61/34/95/379613495.db2.gz URUBIJUAFXIUAJ-HNNXBMFYSA-N 1 1 264.413 2.676 20 30 CFEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)C1CCCC1 ZINC000172648427 379615547 /nfs/dbraw/zinc/61/55/47/379615547.db2.gz HUUQWYBVJCJUKX-UHFFFAOYSA-N 1 1 274.364 2.820 20 30 CFEDMO C=CCC(C)(C)CNC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000432347114 383738983 /nfs/dbraw/zinc/73/89/83/383738983.db2.gz NUPDLLACURYVAM-UHFFFAOYSA-N 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289.423 2.617 20 30 CFEDMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H](C)C#N ZINC000544600524 382975810 /nfs/dbraw/zinc/97/58/10/382975810.db2.gz BLGMVJDNHSFQJE-CYBMUJFWSA-N 1 1 282.391 2.798 20 30 CFEDMO C[C@@H]1CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC1(C)C ZINC000544784539 382975865 /nfs/dbraw/zinc/97/58/65/382975865.db2.gz CDLIMZQQZIHJMY-CQSZACIVSA-N 1 1 291.439 2.697 20 30 CFEDMO C=CC[C@H]1[N@H+](CC(=O)NCC2CCC2)CCCC1(C)C ZINC000444783541 382981983 /nfs/dbraw/zinc/98/19/83/382981983.db2.gz KXZUKDBRQQBJMW-OAHLLOKOSA-N 1 1 278.440 2.969 20 30 CFEDMO C#CCCC[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495719010 383017331 /nfs/dbraw/zinc/01/73/31/383017331.db2.gz SCWKWEQXUOAWLM-INIZCTEOSA-N 1 1 280.412 2.637 20 30 CFEDMO CCC1(CC)CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000446719418 382990924 /nfs/dbraw/zinc/99/09/24/382990924.db2.gz OJRUSPYHHNRUPS-OAHLLOKOSA-N 1 1 279.428 2.553 20 30 CFEDMO CC(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000446732422 382991680 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C[C@@H](CCC#N)[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000579349184 383006116 /nfs/dbraw/zinc/00/61/16/383006116.db2.gz DLQXRRNTXNNKNV-RDBSUJKOSA-N 1 1 280.412 2.978 20 30 CFEDMO C=CCCCCCNC(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000579369625 383010307 /nfs/dbraw/zinc/01/03/07/383010307.db2.gz HSMORAQMKXZVMA-OAHLLOKOSA-N 1 1 281.444 2.764 20 30 CFEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC000495688427 383013697 /nfs/dbraw/zinc/01/36/97/383013697.db2.gz OLJLKPCOJUFEGV-ZDUSSCGKSA-N 1 1 254.374 2.505 20 30 CFEDMO C=C[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000495195700 382970296 /nfs/dbraw/zinc/97/02/96/382970296.db2.gz WBLLBDRRXKQGEI-GJZGRUSLSA-N 1 1 291.439 2.753 20 30 CFEDMO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000495796394 383028293 /nfs/dbraw/zinc/02/82/93/383028293.db2.gz VKFZIIUJDVRJOT-MCIONIFRSA-N 1 1 293.411 2.620 20 30 CFEDMO C[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000495796394 383028296 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C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(C#N)s2)C1 ZINC000579608556 383035683 /nfs/dbraw/zinc/03/56/83/383035683.db2.gz WJRYPNHPKOFYLZ-BXUZGUMPSA-N 1 1 264.394 2.603 20 30 CFEDMO C=CCCCCNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447987834 383036571 /nfs/dbraw/zinc/03/65/71/383036571.db2.gz FGBSJVFQTNPCEY-AWEZNQCLSA-N 1 1 281.444 2.762 20 30 CFEDMO C=CCCCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000447983023 383036987 /nfs/dbraw/zinc/03/69/87/383036987.db2.gz OOEDOWVMTRXYTQ-HNNXBMFYSA-N 1 1 281.444 2.906 20 30 CFEDMO N#Cc1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)nc1 ZINC000579728923 383048021 /nfs/dbraw/zinc/04/80/21/383048021.db2.gz PIWNEBLJNDHFJF-UHFFFAOYSA-N 1 1 267.307 2.871 20 30 CFEDMO C[C@H](c1cccnc1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000579789057 383051763 /nfs/dbraw/zinc/05/17/63/383051763.db2.gz OYZRUGYEFSQWPB-GFCCVEGCSA-N 1 1 252.321 2.541 20 30 CFEDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000579789057 383051768 /nfs/dbraw/zinc/05/17/68/383051768.db2.gz OYZRUGYEFSQWPB-GFCCVEGCSA-N 1 1 252.321 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COc1cc(C#N)ccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000363884458 156202772 /nfs/dbraw/zinc/20/27/72/156202772.db2.gz FJENRLZIMFPZCF-UHFFFAOYSA-N 1 1 286.375 2.569 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCCO[C@@H]3CCC[C@H]32)ccc1F ZINC000366934844 156256459 /nfs/dbraw/zinc/25/64/59/156256459.db2.gz DMJUEVMGDPMZMP-HZPDHXFCSA-N 1 1 274.339 2.841 20 30 CFEDMO C=CCCC(C)(C)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000663715907 413336625 /nfs/dbraw/zinc/33/66/25/413336625.db2.gz LWDXUEKAZKRBDT-KGLIPLIRSA-N 1 1 279.428 2.657 20 30 CFEDMO N#Cc1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1F ZINC000373812076 157032442 /nfs/dbraw/zinc/03/24/42/157032442.db2.gz KEAYAOAUWYYWBQ-RYRKJORJSA-N 1 1 299.393 2.613 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000373819277 157034246 /nfs/dbraw/zinc/03/42/46/157034246.db2.gz WWMZVNTXHVNXMU-NUEKZKHPSA-N 1 1 288.366 2.943 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000373819276 157034489 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C=CCCn1cc(C[N@H+]2CC[C@H](C)C(C)(C)C2)nn1 ZINC000653617387 413402767 /nfs/dbraw/zinc/40/27/67/413402767.db2.gz FVPRWIZBUDOBRB-ZDUSSCGKSA-N 1 1 262.401 2.722 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](C)C(C)(C)C2)nn1 ZINC000653617387 413402775 /nfs/dbraw/zinc/40/27/75/413402775.db2.gz FVPRWIZBUDOBRB-ZDUSSCGKSA-N 1 1 262.401 2.722 20 30 CFEDMO C=CCCn1cc(C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)nn1 ZINC000653637299 413419674 /nfs/dbraw/zinc/41/96/74/413419674.db2.gz AQKBEALHANMNQE-HZSPNIEDSA-N 1 1 262.401 2.721 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CC3(CCC3)C[C@H]2C)nn1 ZINC000653643111 413423687 /nfs/dbraw/zinc/42/36/87/413423687.db2.gz BGSVCGKPRSMASU-CYBMUJFWSA-N 1 1 260.385 2.619 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C)CCC(C)(C)C2CC2)C1=O ZINC000653657407 413429502 /nfs/dbraw/zinc/42/95/02/413429502.db2.gz WIEYBKMQQZHISV-AWEZNQCLSA-N 1 1 264.413 2.531 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000346202304 162351145 /nfs/dbraw/zinc/35/11/45/162351145.db2.gz YFQIXUWNIATLNE-STQMWFEESA-N 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C[C@@H]1CCC[N@H+](CCCCNCc2nc(C#N)cs2)C1 ZINC000352830300 163244940 /nfs/dbraw/zinc/24/49/40/163244940.db2.gz AAQPJYHQDBCGLV-CYBMUJFWSA-N 1 1 292.452 2.616 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CCCCNCc2nc(C#N)cs2)C1 ZINC000352830300 163244944 /nfs/dbraw/zinc/24/49/44/163244944.db2.gz AAQPJYHQDBCGLV-CYBMUJFWSA-N 1 1 292.452 2.616 20 30 CFEDMO N#Cc1csc(C[NH2+][C@H](CCCO)c2ccccc2)n1 ZINC000352828054 163246051 /nfs/dbraw/zinc/24/60/51/163246051.db2.gz ZRVGRJMOIWOOIR-CQSZACIVSA-N 1 1 287.388 2.618 20 30 CFEDMO N#Cc1csc(CNCCCCC[NH+]2CCCCC2)n1 ZINC000352836728 163247337 /nfs/dbraw/zinc/24/73/37/163247337.db2.gz XCIIEAQOEZBDTP-UHFFFAOYSA-N 1 1 292.452 2.761 20 30 CFEDMO CC(C)(C)C[N@@H+](CCCO)Cc1cccc(C#N)c1F ZINC000352881661 163259651 /nfs/dbraw/zinc/25/96/51/163259651.db2.gz FNCXUVRVFJGWGW-UHFFFAOYSA-N 1 1 278.371 2.928 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](COC(F)F)C2)cc1F ZINC000353029203 163291652 /nfs/dbraw/zinc/29/16/52/163291652.db2.gz PLQANTUGAXSMTM-NSHDSACASA-N 1 1 284.281 2.758 20 30 CFEDMO Cn1ccnc1[C@H]([NH2+]Cc1cc(C#N)cs1)C1CC1 ZINC000353036677 163292995 /nfs/dbraw/zinc/29/29/95/163292995.db2.gz HJAKJKOSNPBFSQ-CYBMUJFWSA-N 1 1 272.377 2.594 20 30 CFEDMO CCC[N@H+]1CCC[C@@H]1CNCc1ccc(C#N)c(OC)c1 ZINC000353122222 163310939 /nfs/dbraw/zinc/31/09/39/163310939.db2.gz GADFEQOUAUABBZ-MRXNPFEDSA-N 1 1 287.407 2.531 20 30 CFEDMO CCCN1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000353122222 163310940 /nfs/dbraw/zinc/31/09/40/163310940.db2.gz GADFEQOUAUABBZ-MRXNPFEDSA-N 1 1 287.407 2.531 20 30 CFEDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000353197959 163314765 /nfs/dbraw/zinc/31/47/65/163314765.db2.gz XGLPISGCWWRSQJ-KRWDZBQOSA-N 1 1 299.418 2.747 20 30 CFEDMO CCOC(=O)c1coc(C[N@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000353375415 163353762 /nfs/dbraw/zinc/35/37/62/163353762.db2.gz AQGIBTLDBNQZEU-UHFFFAOYSA-N 1 1 298.342 2.960 20 30 CFEDMO CCOC(=O)c1coc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000353375415 163353764 /nfs/dbraw/zinc/35/37/64/163353764.db2.gz AQGIBTLDBNQZEU-UHFFFAOYSA-N 1 1 298.342 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C[C@H](c1nccs1)N1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000299279939 263237593 /nfs/dbraw/zinc/23/75/93/263237593.db2.gz LNYMUQXHVYGXOJ-QWHCGFSZSA-N 1 1 278.425 2.514 20 30 CFEDMO CC[C@]1(CO)CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000187563669 263262025 /nfs/dbraw/zinc/26/20/25/263262025.db2.gz RGXFPJPOPHRAFX-HNNXBMFYSA-N 1 1 252.402 2.801 20 30 CFEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)[C@H]2CCSC2)c1C ZINC000120032529 263281649 /nfs/dbraw/zinc/28/16/49/263281649.db2.gz OKHGPEDFODNEMU-AWEZNQCLSA-N 1 1 292.448 2.911 20 30 CFEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)[C@H]2CCSC2)c1C ZINC000120032529 263281651 /nfs/dbraw/zinc/28/16/51/263281651.db2.gz OKHGPEDFODNEMU-AWEZNQCLSA-N 1 1 292.448 2.911 20 30 CFEDMO C=CCOc1ccccc1C[N@H+](C)C1CCN(OC)CC1 ZINC000453607381 263282450 /nfs/dbraw/zinc/28/24/50/263282450.db2.gz SNBJMQMRGKEWNF-UHFFFAOYSA-N 1 1 290.407 2.709 20 30 CFEDMO C=CC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000121338527 263291044 /nfs/dbraw/zinc/29/10/44/263291044.db2.gz WUSAHXMUFSZIIO-VXGBXAGGSA-N 1 1 264.344 2.509 20 30 CFEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000121293012 263291887 /nfs/dbraw/zinc/29/18/87/263291887.db2.gz QZFMWHWNSLGFAI-LBPRGKRZSA-N 1 1 269.348 2.680 20 30 CFEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000121293012 263291889 /nfs/dbraw/zinc/29/18/89/263291889.db2.gz QZFMWHWNSLGFAI-LBPRGKRZSA-N 1 1 269.348 2.680 20 30 CFEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000121349584 263293147 /nfs/dbraw/zinc/29/31/47/263293147.db2.gz SLJSGAHMCSKGGO-LLVKDONJSA-N 1 1 250.317 2.579 20 30 CFEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1C ZINC000121349584 263293150 /nfs/dbraw/zinc/29/31/50/263293150.db2.gz SLJSGAHMCSKGGO-LLVKDONJSA-N 1 1 250.317 2.579 20 30 CFEDMO C=CC[N@H+](C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000121556244 263294398 /nfs/dbraw/zinc/29/43/98/263294398.db2.gz YYLGALVWAYSBKA-UHFFFAOYSA-N 1 1 253.729 2.729 20 30 CFEDMO C=CC[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1Cl ZINC000121399843 263295348 /nfs/dbraw/zinc/29/53/48/263295348.db2.gz 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/nfs/dbraw/zinc/33/24/99/263332499.db2.gz SLXKWLUXFPQWCL-UHFFFAOYSA-N 1 1 271.364 2.583 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000341447961 263335705 /nfs/dbraw/zinc/33/57/05/263335705.db2.gz CNHSIXUZOCTIFY-KGLIPLIRSA-N 1 1 266.429 2.825 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000341509959 263340688 /nfs/dbraw/zinc/34/06/88/263340688.db2.gz NBOOAUJBBPXNIB-OAHLLOKOSA-N 1 1 293.455 2.897 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000341626339 263344369 /nfs/dbraw/zinc/34/43/69/263344369.db2.gz PBCWEEDYPSWCLX-HZPDHXFCSA-N 1 1 293.455 2.905 20 30 CFEDMO N#CCc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000341968298 263371474 /nfs/dbraw/zinc/37/14/74/263371474.db2.gz ATIDFYZEOXDZQA-QGZVFWFLSA-N 1 1 270.376 2.755 20 30 CFEDMO C=C1CC[NH+]([C@H](C)C(=O)N2CCCC[C@@H]2CC)CC1 ZINC000341995012 263372786 /nfs/dbraw/zinc/37/27/86/263372786.db2.gz GCSNINQGLRQSIU-CABCVRRESA-N 1 1 264.413 2.818 20 30 CFEDMO C=C1CC[NH+]([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000342010839 263377590 /nfs/dbraw/zinc/37/75/90/263377590.db2.gz SGBHNSKSUVRLEX-ZDUSSCGKSA-N 1 1 292.810 2.997 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000342014183 263378819 /nfs/dbraw/zinc/37/88/19/263378819.db2.gz SEHLUYWPHPCJLA-LSDHHAIUSA-N 1 1 266.429 2.922 20 30 CFEDMO C#Cc1ccc(NC(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000934922394 649854966 /nfs/dbraw/zinc/85/49/66/649854966.db2.gz JRFLLHGGFPNYSR-INIZCTEOSA-N 1 1 285.391 2.616 20 30 CFEDMO C#Cc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000934929738 649856795 /nfs/dbraw/zinc/85/67/95/649856795.db2.gz INKZKDSZFHZYOT-SFHVURJKSA-N 1 1 297.402 2.618 20 30 CFEDMO CCC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000330968230 264091114 /nfs/dbraw/zinc/09/11/14/264091114.db2.gz DTLPZJUJPCQKAV-BFYDXBDKSA-N 1 1 293.455 2.941 20 30 CFEDMO CCc1occc1C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000331195389 264158807 /nfs/dbraw/zinc/15/88/07/264158807.db2.gz TWDLDUZATRUBLP-ZDUSSCGKSA-N 1 1 294.395 2.503 20 30 CFEDMO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(O)cccc1F ZINC000331234827 264174692 /nfs/dbraw/zinc/17/46/92/264174692.db2.gz KSJZZMFQPXPAMS-NSHDSACASA-N 1 1 280.343 2.710 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1c(O)cccc1F ZINC000331234827 264174695 /nfs/dbraw/zinc/17/46/95/264174695.db2.gz KSJZZMFQPXPAMS-NSHDSACASA-N 1 1 280.343 2.710 20 30 CFEDMO Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)c(O)c1 ZINC000331250412 264181071 /nfs/dbraw/zinc/18/10/71/264181071.db2.gz YXFRWHBJVNQJFT-CYBMUJFWSA-N 1 1 276.380 2.880 20 30 CFEDMO Cc1ccc([C@H](C)NC(=O)C[NH2+][C@H]2CCC[C@H]2C#N)cc1C ZINC000331346115 264205066 /nfs/dbraw/zinc/20/50/66/264205066.db2.gz LXKCKVZCYIYYEH-XIRDDKMYSA-N 1 1 299.418 2.763 20 30 CFEDMO C=CCC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCC1 ZINC000253350702 264331940 /nfs/dbraw/zinc/33/19/40/264331940.db2.gz AWXHGKRHDBAMGZ-HUUCEWRRSA-N 1 1 276.424 2.676 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000076810881 264344244 /nfs/dbraw/zinc/34/42/44/264344244.db2.gz JXUNJUTTZRQXTL-KCQAQPDRSA-N 1 1 290.382 2.694 20 30 CFEDMO CC(C)[C@@H]1CN(C)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000425486011 264353953 /nfs/dbraw/zinc/35/39/53/264353953.db2.gz UHVAVHIVSXYAHU-KRWDZBQOSA-N 1 1 271.408 2.525 20 30 CFEDMO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1ccc(CC#N)cc1 ZINC000425486011 264353955 /nfs/dbraw/zinc/35/39/55/264353955.db2.gz UHVAVHIVSXYAHU-KRWDZBQOSA-N 1 1 271.408 2.525 20 30 CFEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1Cc1ccc(CC#N)cc1 ZINC000425486011 264353958 /nfs/dbraw/zinc/35/39/58/264353958.db2.gz UHVAVHIVSXYAHU-KRWDZBQOSA-N 1 1 271.408 2.525 20 30 CFEDMO CC(C)C[C@H]1CCCCC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000525886442 265034650 /nfs/dbraw/zinc/03/46/50/265034650.db2.gz UQFOJBBHDNXQPS-OAHLLOKOSA-N 1 1 291.439 2.840 20 30 CFEDMO CC(C)[N@H+]1CC[C@H](CNc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000094591710 265244776 /nfs/dbraw/zinc/24/47/76/265244776.db2.gz SKTRSLCEKQXMJU-GFCCVEGCSA-N 1 1 288.351 2.609 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cc2n(n1)CCC2 ZINC000519154589 265341095 /nfs/dbraw/zinc/34/10/95/265341095.db2.gz WOGHIUIAPJHIDS-CYBMUJFWSA-N 1 1 280.375 2.746 20 30 CFEDMO C=CCCC1(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000356205936 266071716 /nfs/dbraw/zinc/07/17/16/266071716.db2.gz AJYOREMKNUSLAO-MRXNPFEDSA-N 1 1 290.451 2.923 20 30 CFEDMO C=CCCC1(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000356258832 266082381 /nfs/dbraw/zinc/08/23/81/266082381.db2.gz SQBVZTVCAUACPL-MRXNPFEDSA-N 1 1 276.424 2.677 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CC(C)=C[C@@H](C)C2)C1=O ZINC000356320152 266094967 /nfs/dbraw/zinc/09/49/67/266094967.db2.gz NZIMUODLGSDISY-KBMXLJTQSA-N 1 1 276.424 2.698 20 30 CFEDMO CCN(C(=O)C[N@@H+](CC)C1CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000192847434 266104485 /nfs/dbraw/zinc/10/44/85/266104485.db2.gz GXHSYQUUIVPMIO-CQSZACIVSA-N 1 1 299.418 2.952 20 30 CFEDMO CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000356456969 266118743 /nfs/dbraw/zinc/11/87/43/266118743.db2.gz NQJTYMOCWQSWHZ-CQSZACIVSA-N 1 1 279.428 2.505 20 30 CFEDMO C[C@H]1[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCC[N@H+]1C ZINC000356742720 266167107 /nfs/dbraw/zinc/16/71/07/266167107.db2.gz TVNPCECLCWBQAY-BBRMVZONSA-N 1 1 299.418 2.700 20 30 CFEDMO C=CCCC1(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000356790475 266175324 /nfs/dbraw/zinc/17/53/24/266175324.db2.gz UYBJOZBNKRZQIT-ZDUSSCGKSA-N 1 1 252.402 2.578 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)CC1 ZINC000357395355 266290180 /nfs/dbraw/zinc/29/01/80/266290180.db2.gz YDKMVSWJDWKZRM-HUUCEWRRSA-N 1 1 266.429 2.922 20 30 CFEDMO C=CC[N@H+](CC(=O)N(C1CC1)C1CCCC1)C1CC1 ZINC000357548782 266320552 /nfs/dbraw/zinc/32/05/52/266320552.db2.gz BBAKUPAAEZHLJG-UHFFFAOYSA-N 1 1 262.397 2.570 20 30 CFEDMO C=CC[N@@H+](CC(=O)N(C1CC1)C1CCCC1)C1CC1 ZINC000357548782 266320555 /nfs/dbraw/zinc/32/05/55/266320555.db2.gz BBAKUPAAEZHLJG-UHFFFAOYSA-N 1 1 262.397 2.570 20 30 CFEDMO C=C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000362611699 267022107 /nfs/dbraw/zinc/02/21/07/267022107.db2.gz FAAMMIDXDPVETG-DZGCQCFKSA-N 1 1 290.382 2.728 20 30 CFEDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000399214544 267027994 /nfs/dbraw/zinc/02/79/94/267027994.db2.gz SQSQACZCHNGHJQ-ZWNOBZJWSA-N 1 1 264.756 2.557 20 30 CFEDMO C=CCCCN(C)C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000362887590 267057121 /nfs/dbraw/zinc/05/71/21/267057121.db2.gz BIDDQHGJQDUAQV-MRXNPFEDSA-N 1 1 272.392 2.686 20 30 CFEDMO C=CCCCN(C)C(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000362887590 267057123 /nfs/dbraw/zinc/05/71/23/267057123.db2.gz BIDDQHGJQDUAQV-MRXNPFEDSA-N 1 1 272.392 2.686 20 30 CFEDMO C=CCCCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(N)=O ZINC000362959341 267067498 /nfs/dbraw/zinc/06/74/98/267067498.db2.gz XXLBYRGMXAEHMQ-MRXNPFEDSA-N 1 1 272.392 2.645 20 30 CFEDMO C=CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000362989349 267070618 /nfs/dbraw/zinc/07/06/18/267070618.db2.gz KWIMYIPSARYETA-INIZCTEOSA-N 1 1 272.392 2.686 20 30 CFEDMO N#CCCC[N@@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000363232901 267081373 /nfs/dbraw/zinc/08/13/73/267081373.db2.gz ZBQRNBCQECNFFT-INIZCTEOSA-N 1 1 266.348 2.592 20 30 CFEDMO Clc1ccc(C#CC[N@H+]2CCC[C@]23CCOC3)cc1 ZINC000367450093 267090919 /nfs/dbraw/zinc/09/09/19/267090919.db2.gz NPQVIUUJBCLAFA-MRXNPFEDSA-N 1 1 275.779 2.946 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000115554637 267099796 /nfs/dbraw/zinc/09/97/96/267099796.db2.gz VRQLZXTUYFXKOE-DZKIICNBSA-N 1 1 272.392 2.555 20 30 CFEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000399672091 267103082 /nfs/dbraw/zinc/10/30/82/267103082.db2.gz OOHRYNNXKSGZTK-HZSPNIEDSA-N 1 1 285.391 2.863 20 30 CFEDMO C[C@@H]1[C@H](C)C[N@@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]1C ZINC000399672094 267107110 /nfs/dbraw/zinc/10/71/10/267107110.db2.gz OOHRYNNXKSGZTK-MCIONIFRSA-N 1 1 285.391 2.863 20 30 CFEDMO C[C@@H]1CCOCC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000368130316 267146575 /nfs/dbraw/zinc/14/65/75/267146575.db2.gz ARZLEYPINDNEBJ-OAHLLOKOSA-N 1 1 288.391 2.980 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000276352799 267148799 /nfs/dbraw/zinc/14/87/99/267148799.db2.gz WWIVROUYHBKATD-OAHLLOKOSA-N 1 1 282.391 2.763 20 30 CFEDMO C=C(Br)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000368517008 267179443 /nfs/dbraw/zinc/17/94/43/267179443.db2.gz XDIYXRNLFQXOEJ-SNVBAGLBSA-N 1 1 256.143 2.978 20 30 CFEDMO C=C(Br)C[N@H+]1CC[C@@H](c2ccco2)C1 ZINC000368517008 267179448 /nfs/dbraw/zinc/17/94/48/267179448.db2.gz XDIYXRNLFQXOEJ-SNVBAGLBSA-N 1 1 256.143 2.978 20 30 CFEDMO C=CCN1CC[C@H]([N@H+]2CC[C@@H](c3ccc(C)cc3)C2)C1=O ZINC000368534577 267180991 /nfs/dbraw/zinc/18/09/91/267180991.db2.gz NWCFHXJZHHBURE-SJORKVTESA-N 1 1 284.403 2.571 20 30 CFEDMO C=CC1CC[NH+]([C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000117882297 267223956 /nfs/dbraw/zinc/22/39/56/267223956.db2.gz XYVWOJZLRSYNQG-OAHLLOKOSA-N 1 1 259.349 2.799 20 30 CFEDMO Cc1noc(C)c1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000369213953 267226647 /nfs/dbraw/zinc/22/66/47/267226647.db2.gz HZZVUFONQSQFRF-UHFFFAOYSA-N 1 1 296.374 2.744 20 30 CFEDMO C[C@H]1CN(c2ccnc(C#N)c2)CC[N@H+]1Cc1ccccc1 ZINC000396411788 267239171 /nfs/dbraw/zinc/23/91/71/267239171.db2.gz MMKWJWLLLVJLIU-HNNXBMFYSA-N 1 1 292.386 2.664 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@H](c2n[nH]cc2NC(C)=O)C1 ZINC000369832053 267270927 /nfs/dbraw/zinc/27/09/27/267270927.db2.gz RRYJTZXDOZXOKK-ZDUSSCGKSA-N 1 1 276.384 2.514 20 30 CFEDMO Cc1cc([C@H]2CCC[N@@H+](CCCSCC#N)C2)[nH]n1 ZINC000369837439 267271709 /nfs/dbraw/zinc/27/17/09/267271709.db2.gz DOVPQNLTUYOWMD-ZDUSSCGKSA-N 1 1 278.425 2.544 20 30 CFEDMO Cc1cc([C@H]2CCC[N@H+](CCCSCC#N)C2)n[nH]1 ZINC000369837439 267271710 /nfs/dbraw/zinc/27/17/10/267271710.db2.gz DOVPQNLTUYOWMD-ZDUSSCGKSA-N 1 1 278.425 2.544 20 30 CFEDMO Cc1cc([C@H]2CCC[N@@H+](CCCSCC#N)C2)n[nH]1 ZINC000369837439 267271711 /nfs/dbraw/zinc/27/17/11/267271711.db2.gz DOVPQNLTUYOWMD-ZDUSSCGKSA-N 1 1 278.425 2.544 20 30 CFEDMO C[N@H+]1CCCC12CCN(Cc1ccc(C#N)s1)CC2 ZINC000519757190 267333335 /nfs/dbraw/zinc/33/33/35/267333335.db2.gz HFNZFXLDSYEAHA-UHFFFAOYSA-N 1 1 275.421 2.680 20 30 CFEDMO C=CCCCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1CC ZINC000371128959 267353079 /nfs/dbraw/zinc/35/30/79/267353079.db2.gz MCPNOESHTVITQM-CQSZACIVSA-N 1 1 275.396 2.793 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000371184559 267360579 /nfs/dbraw/zinc/36/05/79/267360579.db2.gz OECCDWBGUMCYLM-CYBMUJFWSA-N 1 1 264.756 2.602 20 30 CFEDMO COc1ccccc1/C=C\C[NH2+]CC1(C#N)CCC1 ZINC000418145273 267366172 /nfs/dbraw/zinc/36/61/72/267366172.db2.gz WZOWIOXKZQYHIA-DAXSKMNVSA-N 1 1 256.349 2.992 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000371315197 267386596 /nfs/dbraw/zinc/38/65/96/267386596.db2.gz QQVQSCMSYLFWNV-ZIAGYGMSSA-N 1 1 250.386 2.675 20 30 CFEDMO COC[C@H]1CCCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000375607071 267876982 /nfs/dbraw/zinc/87/69/82/267876982.db2.gz KZGQQEMXXULGBJ-INIZCTEOSA-N 1 1 294.439 2.835 20 30 CFEDMO Cc1ccc(C#N)nc1NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528211697 268030205 /nfs/dbraw/zinc/03/02/05/268030205.db2.gz UINIOIRLUKSXFT-HNNXBMFYSA-N 1 1 270.380 2.691 20 30 CFEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@@H](CO)C2)c1 ZINC000377238180 268058297 /nfs/dbraw/zinc/05/82/97/268058297.db2.gz KKCIHGRMZOKAGX-MRXNPFEDSA-N 1 1 275.392 2.846 20 30 CFEDMO Cn1ccnc1[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000377265043 268061038 /nfs/dbraw/zinc/06/10/38/268061038.db2.gz CKPJSWIMTIWPRH-KRWDZBQOSA-N 1 1 279.387 2.651 20 30 CFEDMO Cc1ncc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)o1 ZINC000529681142 268081999 /nfs/dbraw/zinc/08/19/99/268081999.db2.gz WAEHNUSJBFVQTD-UHFFFAOYSA-N 1 1 297.358 2.650 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCSC[C@H]2C2CCC2)nc1 ZINC000517391578 268222831 /nfs/dbraw/zinc/22/28/31/268222831.db2.gz OOVFQYVLTBYBEG-HNNXBMFYSA-N 1 1 273.405 2.671 20 30 CFEDMO CC(C)(C)OC(=O)C1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000271164110 270278242 /nfs/dbraw/zinc/27/82/42/270278242.db2.gz RJTXOPHRTRKGAT-UHFFFAOYSA-N 1 1 290.363 2.705 20 30 CFEDMO C[N@H+]1CCC[C@@]2(CCN(c3snc(Cl)c3C#N)C2)C1 ZINC000292761289 270284388 /nfs/dbraw/zinc/28/43/88/270284388.db2.gz KGPJCHBFJXPEJW-CYBMUJFWSA-N 1 1 296.827 2.590 20 30 CFEDMO CC[NH+]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000428104883 273667315 /nfs/dbraw/zinc/66/73/15/273667315.db2.gz YRANROLNCNEWSV-UHFFFAOYSA-N 1 1 298.434 2.709 20 30 CFEDMO O[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177228078 275058601 /nfs/dbraw/zinc/05/86/01/275058601.db2.gz ZUXFIZBZMVKLEY-AWEZNQCLSA-N 1 1 283.293 2.514 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CCSC2(CCOCC2)C1 ZINC000192193111 275388621 /nfs/dbraw/zinc/38/86/21/275388621.db2.gz WZFALTMAPBPYNQ-UHFFFAOYSA-N 1 1 287.428 2.636 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000335242971 275388699 /nfs/dbraw/zinc/38/86/99/275388699.db2.gz ZVKLJTPVPASRNE-QGZVFWFLSA-N 1 1 255.361 2.541 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@@H](C)C1 ZINC000329222146 276010523 /nfs/dbraw/zinc/01/05/23/276010523.db2.gz VXAISWGEINSFQY-AVGNSLFASA-N 1 1 281.400 2.572 20 30 CFEDMO CCN(C[C@H](C)C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355683812 276137407 /nfs/dbraw/zinc/13/74/07/276137407.db2.gz UEPLXGXYQHBGMA-WBVHZDCISA-N 1 1 271.408 2.742 20 30 CFEDMO CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000019959982 276174467 /nfs/dbraw/zinc/17/44/67/276174467.db2.gz NQBSGOPWRUCPJU-XJKSGUPXSA-N 1 1 257.381 2.693 20 30 CFEDMO CC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000019959982 276174468 /nfs/dbraw/zinc/17/44/68/276174468.db2.gz NQBSGOPWRUCPJU-XJKSGUPXSA-N 1 1 257.381 2.693 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000335759917 276213496 /nfs/dbraw/zinc/21/34/96/276213496.db2.gz SVLCATCICLBTPH-CZUORRHYSA-N 1 1 285.391 2.503 20 30 CFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C#N)c1C ZINC000337973605 276233904 /nfs/dbraw/zinc/23/39/04/276233904.db2.gz UBJXBXKYTRGWTI-CVEARBPZSA-N 1 1 297.402 2.566 20 30 CFEDMO CC[N@@H+](C[C@H](C)CC1CCOCC1)C[C@H](C)C#N ZINC000350006005 276352227 /nfs/dbraw/zinc/35/22/27/276352227.db2.gz FEVDNIAOCYMGLJ-ZIAGYGMSSA-N 1 1 252.402 2.921 20 30 CFEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000187948903 277121510 /nfs/dbraw/zinc/12/15/10/277121510.db2.gz RLPLESLVMJIJCE-CJNGLKHVSA-N 1 1 286.375 2.894 20 30 CFEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCCC[C@@H](C)C1 ZINC000187948903 277121512 /nfs/dbraw/zinc/12/15/12/277121512.db2.gz RLPLESLVMJIJCE-CJNGLKHVSA-N 1 1 286.375 2.894 20 30 CFEDMO CO[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CC[C@@H]1C ZINC000248883798 277300063 /nfs/dbraw/zinc/30/00/63/277300063.db2.gz DODVARXCKXFYSR-WOSRLPQWSA-N 1 1 258.365 2.976 20 30 CFEDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CC12CCC2 ZINC000373153671 277364680 /nfs/dbraw/zinc/36/46/80/277364680.db2.gz UCXHWSIRGVEACR-CJNGLKHVSA-N 1 1 298.386 2.894 20 30 CFEDMO COc1cc2c(cc1F)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000335726206 277392532 /nfs/dbraw/zinc/39/25/32/277392532.db2.gz XODGJCFGBNFLHN-SMDDNHRTSA-N 1 1 274.339 2.885 20 30 CFEDMO COc1cc2c(cc1F)C[N@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000335726206 277392533 /nfs/dbraw/zinc/39/25/33/277392533.db2.gz XODGJCFGBNFLHN-SMDDNHRTSA-N 1 1 274.339 2.885 20 30 CFEDMO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ncc(C#N)cn1 ZINC000331925390 278036686 /nfs/dbraw/zinc/03/66/86/278036686.db2.gz HXFVGHTVNBMXAM-BNOWGMLFSA-N 1 1 256.353 2.501 20 30 CFEDMO CC(=O)NCC[C@@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000347629994 278117292 /nfs/dbraw/zinc/11/72/92/278117292.db2.gz ASOZWCHFMSONFG-PBHICJAKSA-N 1 1 299.418 2.857 20 30 CFEDMO CC[C@H](N[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(C#N)cc1 ZINC000423374671 288090474 /nfs/dbraw/zinc/09/04/74/288090474.db2.gz HXGJMMAYQNEJPY-RCBQFDQVSA-N 1 1 257.381 2.739 20 30 CFEDMO C[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)[N@@H+](C)C1CC1 ZINC000355615701 279327599 /nfs/dbraw/zinc/32/75/99/279327599.db2.gz ACONOJZDHKJDQH-GDBMZVCRSA-N 1 1 299.418 2.673 20 30 CFEDMO CC[N@H+]1CCN(CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000352664489 279355870 /nfs/dbraw/zinc/35/58/70/279355870.db2.gz BXUVPRDSTLVBLE-CQSZACIVSA-N 1 1 251.418 2.732 20 30 CFEDMO CCN1CC[N@H+](CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000352664489 279355873 /nfs/dbraw/zinc/35/58/73/279355873.db2.gz BXUVPRDSTLVBLE-CQSZACIVSA-N 1 1 251.418 2.732 20 30 CFEDMO CCN1CC[N@@H+](CCCCC(C)(C)C#N)[C@H](C)C1 ZINC000352664489 279355875 /nfs/dbraw/zinc/35/58/75/279355875.db2.gz BXUVPRDSTLVBLE-CQSZACIVSA-N 1 1 251.418 2.732 20 30 CFEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NCC(F)(F)C[NH3+] ZINC000423350030 279528876 /nfs/dbraw/zinc/52/88/76/279528876.db2.gz YKDBVOJIMUVKIQ-CQSZACIVSA-N 1 1 279.334 2.509 20 30 CFEDMO C[C@H]1CCCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248746770 281033870 /nfs/dbraw/zinc/03/38/70/281033870.db2.gz NJJSDUHBYUJZTE-YOEHRIQHSA-N 1 1 297.402 2.928 20 30 CFEDMO COCCOC[C@@H]1CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000249262767 281053187 /nfs/dbraw/zinc/05/31/87/281053187.db2.gz IDLMIAJPQSCKOU-GOEBONIOSA-N 1 1 288.391 2.604 20 30 CFEDMO N#Cc1cnccc1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000561318802 282052850 /nfs/dbraw/zinc/05/28/50/282052850.db2.gz YEBRBOCZMKKAQY-MRXNPFEDSA-N 1 1 284.407 2.584 20 30 CFEDMO C[NH+](C)C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(F)cc1 ZINC000348340841 289209052 /nfs/dbraw/zinc/20/90/52/289209052.db2.gz YDSUUWFDVIEIDI-WQVCFCJDSA-N 1 1 275.371 2.710 20 30 CFEDMO Cc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)nc1 ZINC000158010531 289967893 /nfs/dbraw/zinc/96/78/93/289967893.db2.gz SUCMNFKKYCDWMU-UHFFFAOYSA-N 1 1 292.386 2.584 20 30 CFEDMO N#Cc1cnccc1N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000307719286 290011281 /nfs/dbraw/zinc/01/12/81/290011281.db2.gz RDIFRKZDWCYVTL-INIZCTEOSA-N 1 1 278.359 2.640 20 30 CFEDMO C[C@@H]1C[C@@H](C)[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000562502683 290048397 /nfs/dbraw/zinc/04/83/97/290048397.db2.gz PRXBMSFAEVJRKC-CKEIUWERSA-N 1 1 297.402 2.784 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@H]2CCCC[C@H]12 ZINC000563151808 290109783 /nfs/dbraw/zinc/10/97/83/290109783.db2.gz XHONWXPNMNKINP-WQVCFCJDSA-N 1 1 295.390 2.611 20 30 CFEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2c2ccc(F)cc2C#N)C1 ZINC000302707042 290181855 /nfs/dbraw/zinc/18/18/55/290181855.db2.gz CNSOJZSMASLXJP-MLGOLLRUSA-N 1 1 273.355 2.618 20 30 CFEDMO N#Cc1cnn2cc(C[N@H+]3CCC4(C3)CCCCC4)cnc12 ZINC000564570629 290215589 /nfs/dbraw/zinc/21/55/89/290215589.db2.gz JGIVMCIBQHIIDX-UHFFFAOYSA-N 1 1 295.390 2.757 20 30 CFEDMO C[N@@H+](CCSc1ncncc1C#N)Cc1ccccc1 ZINC000564892468 290245291 /nfs/dbraw/zinc/24/52/91/290245291.db2.gz YFJGCOHESSBPGX-UHFFFAOYSA-N 1 1 284.388 2.572 20 30 CFEDMO COCC[N@@H+](C)CCCNc1cccc(C(F)F)c1C#N ZINC000565220843 290284484 /nfs/dbraw/zinc/28/44/84/290284484.db2.gz GKXYBPLJQFZMBK-UHFFFAOYSA-N 1 1 297.349 2.876 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)nc1 ZINC000565811140 290326505 /nfs/dbraw/zinc/32/65/05/290326505.db2.gz OHUVNIULZTUBQZ-INIZCTEOSA-N 1 1 264.332 2.685 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)nc1 ZINC000565811140 290326508 /nfs/dbraw/zinc/32/65/08/290326508.db2.gz OHUVNIULZTUBQZ-INIZCTEOSA-N 1 1 264.332 2.685 20 30 CFEDMO CC(C)[N@H+](C)C[C@H](C)Nc1cccc(-n2cccn2)c1C#N ZINC000566484043 290393763 /nfs/dbraw/zinc/39/37/63/290393763.db2.gz ZJPWBDLVFRYYNK-AWEZNQCLSA-N 1 1 297.406 2.885 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1 ZINC001085462669 782061047 /nfs/dbraw/zinc/06/10/47/782061047.db2.gz KUPNKGWDHIRYKE-INIZCTEOSA-N 1 1 272.392 2.799 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001085478851 782075786 /nfs/dbraw/zinc/07/57/86/782075786.db2.gz GURNXIMBIINZNT-AWEZNQCLSA-N 1 1 276.380 2.619 20 30 CFEDMO COC(=O)c1occc1C[NH+]1CCC(CCC#N)CC1 ZINC000563068736 327873672 /nfs/dbraw/zinc/87/36/72/327873672.db2.gz PPOJTYOFZCCRGG-UHFFFAOYSA-N 1 1 276.336 2.582 20 30 CFEDMO CC#CC[N@@H+](C)[C@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000339750813 328053602 /nfs/dbraw/zinc/05/36/02/328053602.db2.gz GMYJYHNGMKEKJN-WBVHZDCISA-N 1 1 286.419 2.988 20 30 CFEDMO CC#CC[N@H+](C)[C@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000339750813 328053603 /nfs/dbraw/zinc/05/36/03/328053603.db2.gz GMYJYHNGMKEKJN-WBVHZDCISA-N 1 1 286.419 2.988 20 30 CFEDMO CC#CC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000339750635 328053643 /nfs/dbraw/zinc/05/36/43/328053643.db2.gz FDPXPILDJYDDMD-HUUCEWRRSA-N 1 1 272.392 2.516 20 30 CFEDMO CC#CC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000339750635 328053644 /nfs/dbraw/zinc/05/36/44/328053644.db2.gz FDPXPILDJYDDMD-HUUCEWRRSA-N 1 1 272.392 2.516 20 30 CFEDMO Cn1cc(C[NH2+]CC2(C#N)CCC2)c(-c2cccs2)n1 ZINC000563610593 328076656 /nfs/dbraw/zinc/07/66/56/328076656.db2.gz VKFAGHSFXHKKQP-UHFFFAOYSA-N 1 1 286.404 2.932 20 30 CFEDMO CO[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411233984 328080761 /nfs/dbraw/zinc/08/07/61/328080761.db2.gz XOPLIUVCMAKWHX-CQSZACIVSA-N 1 1 250.386 2.961 20 30 CFEDMO CC(C)(C)C[N@H+](CCC#N)CCc1cncs1 ZINC000411283990 328081918 /nfs/dbraw/zinc/08/19/18/328081918.db2.gz MAVPFCONLSARGS-UHFFFAOYSA-N 1 1 251.399 2.947 20 30 CFEDMO CC(C)(C)C[N@@H+](CCC#N)CCc1cncs1 ZINC000411283990 328081919 /nfs/dbraw/zinc/08/19/19/328081919.db2.gz MAVPFCONLSARGS-UHFFFAOYSA-N 1 1 251.399 2.947 20 30 CFEDMO CC[C@H](CC#N)[NH2+]CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000571175637 328090820 /nfs/dbraw/zinc/09/08/20/328090820.db2.gz HMPJAAOWOYQILB-SNVBAGLBSA-N 1 1 299.827 2.642 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C)CCC2(C#N)CCCCC2)C1=O ZINC000411666856 328098081 /nfs/dbraw/zinc/09/80/81/328098081.db2.gz HLQAEIIAOAIBMI-HNNXBMFYSA-N 1 1 289.423 2.569 20 30 CFEDMO C[C@@H](CCC#N)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000411663743 328098165 /nfs/dbraw/zinc/09/81/65/328098165.db2.gz ZFLDZBHUEVAVGW-RYQLBKOJSA-N 1 1 283.419 2.742 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000411663743 328098174 /nfs/dbraw/zinc/09/81/74/328098174.db2.gz ZFLDZBHUEVAVGW-RYQLBKOJSA-N 1 1 283.419 2.742 20 30 CFEDMO C[C@@H](CCC#N)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000411663743 328098175 /nfs/dbraw/zinc/09/81/75/328098175.db2.gz ZFLDZBHUEVAVGW-RYQLBKOJSA-N 1 1 283.419 2.742 20 30 CFEDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411770918 328099627 /nfs/dbraw/zinc/09/96/27/328099627.db2.gz DMNZMUFZFNPDRX-LSDHHAIUSA-N 1 1 264.413 2.943 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N(CC)C[C@H]1CCC[N@H+]1CC ZINC000571391156 328118794 /nfs/dbraw/zinc/11/87/94/328118794.db2.gz UALHGSDHNXUFRA-LSDHHAIUSA-N 1 1 266.429 2.922 20 30 CFEDMO C[N@@H+](CCSCCC#N)Cc1ccc(F)cc1 ZINC000413011024 328139667 /nfs/dbraw/zinc/13/96/67/328139667.db2.gz IKRFJPXRXUCGQN-UHFFFAOYSA-N 1 1 252.358 2.904 20 30 CFEDMO COc1ccc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)cc1 ZINC000264913433 328162746 /nfs/dbraw/zinc/16/27/46/328162746.db2.gz ZRLWYDJJHYVNPW-STQMWFEESA-N 1 1 257.337 2.789 20 30 CFEDMO C[N@@H+](CCC1CCOCC1)Cc1ccc(OCC#N)cc1 ZINC000268231814 328183377 /nfs/dbraw/zinc/18/33/77/328183377.db2.gz YRVMJQYRQKSCQH-UHFFFAOYSA-N 1 1 288.391 2.837 20 30 CFEDMO N#CCSCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000173897500 329153264 /nfs/dbraw/zinc/15/32/64/329153264.db2.gz PQWDFUKFSUJOJT-HNNXBMFYSA-N 1 1 281.469 2.584 20 30 CFEDMO COc1cc(C#N)ccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000272510873 328200194 /nfs/dbraw/zinc/20/01/94/328200194.db2.gz GDIIODGLWGMPGI-UHFFFAOYSA-N 1 1 269.348 2.693 20 30 CFEDMO C=C(C)C[N@H+](CCCC(=O)NC)Cc1ccccc1 ZINC000571653356 328214272 /nfs/dbraw/zinc/21/42/72/328214272.db2.gz NWMWYEINIRYFLY-UHFFFAOYSA-N 1 1 260.381 2.591 20 30 CFEDMO CC(C)(C#N)CC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000278202413 328224617 /nfs/dbraw/zinc/22/46/17/328224617.db2.gz FXQOCYVQVWJOLU-HNNXBMFYSA-N 1 1 297.402 2.937 20 30 CFEDMO C=CCOc1cccc(C[NH2+][C@H](CN)CC(C)C)c1 ZINC000414836124 328233188 /nfs/dbraw/zinc/23/31/88/328233188.db2.gz ICXNZEDAAQHFSK-HNNXBMFYSA-N 1 1 262.397 2.714 20 30 CFEDMO Cc1ncsc1C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000281135147 328239004 /nfs/dbraw/zinc/23/90/04/328239004.db2.gz ACTRURYZNPKXHU-UHFFFAOYSA-N 1 1 293.436 2.984 20 30 CFEDMO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nccc(C(F)F)n2)C1 ZINC000287160251 328250440 /nfs/dbraw/zinc/25/04/40/328250440.db2.gz TXNITXTULDRMRX-NXEZZACHSA-N 1 1 266.295 2.586 20 30 CFEDMO N#CCCCC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000291527249 328264339 /nfs/dbraw/zinc/26/43/39/328264339.db2.gz PRQLRKZCKHBMHG-HNNXBMFYSA-N 1 1 283.375 2.691 20 30 CFEDMO CCC[N@@H+](CCOCCC#N)Cc1ccccc1O ZINC000292805482 328273726 /nfs/dbraw/zinc/27/37/26/328273726.db2.gz MQSOVARMYKIVCL-UHFFFAOYSA-N 1 1 262.353 2.534 20 30 CFEDMO Cn1cc(Cl)cc1C[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000292937752 328273982 /nfs/dbraw/zinc/27/39/82/328273982.db2.gz ZREYJYWDFYTSOT-CMPLNLGQSA-N 1 1 251.761 2.803 20 30 CFEDMO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ncc(C(F)(F)F)cn2)C1 ZINC000294998810 328284139 /nfs/dbraw/zinc/28/41/39/328284139.db2.gz LEOAOUHNSWDPBD-GXSJLCMTSA-N 1 1 284.285 2.667 20 30 CFEDMO CC(C)CN(C(=O)[C@H](C)[NH+]1CC(C)C1)c1ccc(C#N)cc1 ZINC000572854145 322634878 /nfs/dbraw/zinc/63/48/78/322634878.db2.gz YPVPEPZGWVSNIY-HNNXBMFYSA-N 1 1 299.418 2.887 20 30 CFEDMO N#Cc1ccc(C[N@@H+](CC(=O)N2CCCCC2)C2CC2)cc1 ZINC000194968181 324098115 /nfs/dbraw/zinc/09/81/15/324098115.db2.gz VCPZAOAROQRGQP-UHFFFAOYSA-N 1 1 297.402 2.535 20 30 CFEDMO N#Cc1ccc(C[N@H+](CC(=O)N2CCCCC2)C2CC2)cc1 ZINC000194968181 324098120 /nfs/dbraw/zinc/09/81/20/324098120.db2.gz VCPZAOAROQRGQP-UHFFFAOYSA-N 1 1 297.402 2.535 20 30 CFEDMO CCC(C)(C)NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194963874 324098710 /nfs/dbraw/zinc/09/87/10/324098710.db2.gz OBZHTKFVAWOLPW-UHFFFAOYSA-N 1 1 299.418 2.827 20 30 CFEDMO CCC(C)(C)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000194963874 324098714 /nfs/dbraw/zinc/09/87/14/324098714.db2.gz OBZHTKFVAWOLPW-UHFFFAOYSA-N 1 1 299.418 2.827 20 30 CFEDMO C=CCCC1(C(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)CC1 ZINC000425311777 328453831 /nfs/dbraw/zinc/45/38/31/328453831.db2.gz ZKYNATXAOVWDEG-UHFFFAOYSA-N 1 1 287.407 2.937 20 30 CFEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cccc(O)c1 ZINC000580636157 325052150 /nfs/dbraw/zinc/05/21/50/325052150.db2.gz HLNKYFVMQGJBIW-UHFFFAOYSA-N 1 1 296.370 2.912 20 30 CFEDMO C[C@H](C[NH+]1CCC(C)CC1)NCc1cccc(C#N)c1 ZINC000580903034 325074075 /nfs/dbraw/zinc/07/40/75/325074075.db2.gz NUEMSURGFBGLRH-OAHLLOKOSA-N 1 1 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CC/C=C/CC[N@@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000375094846 329000285 /nfs/dbraw/zinc/00/02/85/329000285.db2.gz RUQFWJYKHPGPLF-DIMNXIJWSA-N 1 1 295.386 2.688 20 30 CFEDMO CC/C=C/CC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000375094846 329000287 /nfs/dbraw/zinc/00/02/87/329000287.db2.gz RUQFWJYKHPGPLF-DIMNXIJWSA-N 1 1 295.386 2.688 20 30 CFEDMO C#Cc1cccc(NC(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000375258082 329002047 /nfs/dbraw/zinc/00/20/47/329002047.db2.gz KQUNHHLUJAEIRL-UHFFFAOYSA-N 1 1 294.358 2.522 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+](C)C1CCN(c2ccccc2)CC1 ZINC000377356704 329012503 /nfs/dbraw/zinc/01/25/03/329012503.db2.gz CDNWGDJXVUCBJI-GOSISDBHSA-N 1 1 288.435 2.914 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000377656692 329023381 /nfs/dbraw/zinc/02/33/81/329023381.db2.gz YBGZHLPHMGKAKA-UHFFFAOYSA-N 1 1 298.430 2.748 20 30 CFEDMO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1CC(C)(C)CCC#N ZINC000377694018 329025150 /nfs/dbraw/zinc/02/51/50/329025150.db2.gz KMTIVRAYZJRGLU-CABCVRRESA-N 1 1 263.429 2.875 20 30 CFEDMO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC(C)(C)CCC#N ZINC000377694018 329025151 /nfs/dbraw/zinc/02/51/51/329025151.db2.gz KMTIVRAYZJRGLU-CABCVRRESA-N 1 1 263.429 2.875 20 30 CFEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000377735903 329027438 /nfs/dbraw/zinc/02/74/38/329027438.db2.gz GEBNEPRDXUMKTA-SJLPKXTDSA-N 1 1 297.402 2.804 20 30 CFEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000377735903 329027439 /nfs/dbraw/zinc/02/74/39/329027439.db2.gz GEBNEPRDXUMKTA-SJLPKXTDSA-N 1 1 297.402 2.804 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](c2cccs2)C[C@@H]1C ZINC000377803944 329030114 /nfs/dbraw/zinc/03/01/14/329030114.db2.gz BCRLKRKFUYFNCU-AVGNSLFASA-N 1 1 278.421 2.617 20 30 CFEDMO C=CCCC[N@@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000377855433 329031832 /nfs/dbraw/zinc/03/18/32/329031832.db2.gz KHBGTCBTVUDHDZ-UHFFFAOYSA-N 1 1 282.391 2.651 20 30 CFEDMO C=CCCC[N@H+]1CCn2c(Cc3ccccc3)nnc2C1 ZINC000377855433 329031834 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CC[C@H](CC#N)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000582495251 329100760 /nfs/dbraw/zinc/10/07/60/329100760.db2.gz CBNLUIMMZJAOLW-LLVKDONJSA-N 1 1 287.285 2.805 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC(C)(C)C1 ZINC000174259688 329155967 /nfs/dbraw/zinc/15/59/67/329155967.db2.gz RKFYYKPLSYAYSL-CYBMUJFWSA-N 1 1 252.402 2.531 20 30 CFEDMO N#CC1(NC(=O)C[N@H+]2CCC3(CCCC3)C2)CCCCC1 ZINC000174265193 329156075 /nfs/dbraw/zinc/15/60/75/329156075.db2.gz KFVWOAWQOJQSKP-UHFFFAOYSA-N 1 1 289.423 2.595 20 30 CFEDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000174470874 329159295 /nfs/dbraw/zinc/15/92/95/329159295.db2.gz GCUGPGABDZBTKH-LSDHHAIUSA-N 1 1 291.439 2.792 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000174848146 329163841 /nfs/dbraw/zinc/16/38/41/329163841.db2.gz ZTVTUCWWRWFQIE-OAHLLOKOSA-N 1 1 263.429 2.877 20 30 CFEDMO CC(C)(C#N)CCCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000174848146 329163843 /nfs/dbraw/zinc/16/38/43/329163843.db2.gz ZTVTUCWWRWFQIE-OAHLLOKOSA-N 1 1 263.429 2.877 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000174857549 329164001 /nfs/dbraw/zinc/16/40/01/329164001.db2.gz WFKPPKDDMVUVBV-MRXNPFEDSA-N 1 1 293.455 2.503 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000178028305 329191735 /nfs/dbraw/zinc/19/17/35/329191735.db2.gz WHDWTIQAZADIGM-WDEREUQCSA-N 1 1 251.292 2.588 20 30 CFEDMO C=CCCCC(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000176248384 329172933 /nfs/dbraw/zinc/17/29/33/329172933.db2.gz FBRIUQDSQJCVCW-UHFFFAOYSA-N 1 1 264.413 2.820 20 30 CFEDMO CN(CC#Cc1ccc(Cl)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000177185069 329183199 /nfs/dbraw/zinc/18/31/99/329183199.db2.gz PKXGRFMCFACCGO-MRXNPFEDSA-N 1 1 290.838 2.965 20 30 CFEDMO C=CCCCC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000177548771 329185451 /nfs/dbraw/zinc/18/54/51/329185451.db2.gz FMZVHBIQDRKZDK-UHFFFAOYSA-N 1 1 270.336 2.871 20 30 CFEDMO C=C(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000180421365 329216465 /nfs/dbraw/zinc/21/64/65/329216465.db2.gz 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ZINC000491619101 332245401 /nfs/dbraw/zinc/24/54/01/332245401.db2.gz CVAYDTYGHJKPRD-AWEZNQCLSA-N 1 1 258.365 2.667 20 30 CFEDMO C#CC[N@H+](CCC)[C@@H](C)C(=O)Nc1ccccc1C ZINC000491619101 332245402 /nfs/dbraw/zinc/24/54/02/332245402.db2.gz CVAYDTYGHJKPRD-AWEZNQCLSA-N 1 1 258.365 2.667 20 30 CFEDMO C#CC[N@H+](CCC[C@@H](C)O)[C@@H]1CCc2ccccc21 ZINC000491626030 332249705 /nfs/dbraw/zinc/24/97/05/332249705.db2.gz LHGYIORAJZDYFB-RHSMWYFYSA-N 1 1 257.377 2.770 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1c(F)cccc1N1CCCC1 ZINC000491633367 332255170 /nfs/dbraw/zinc/25/51/70/332255170.db2.gz PYUUMPCQOLDGKC-ZDUSSCGKSA-N 1 1 260.356 2.879 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1c(F)cccc1N1CCCC1 ZINC000491633367 332255171 /nfs/dbraw/zinc/25/51/71/332255171.db2.gz PYUUMPCQOLDGKC-ZDUSSCGKSA-N 1 1 260.356 2.879 20 30 CFEDMO C#C[C@@H](CC)[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000491635412 332256554 /nfs/dbraw/zinc/25/65/54/332256554.db2.gz WOHUAMYYJNZYIZ-JTQLQIEISA-N 1 1 298.180 2.665 20 30 CFEDMO 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259.349 2.692 20 30 CFEDMO C#C[C@H](NC(=O)C[N@H+](CC)C1CC1)c1ccc(Cl)cc1 ZINC000491776680 332342239 /nfs/dbraw/zinc/34/22/39/332342239.db2.gz ZTEFIZLKYBLJDT-HNNXBMFYSA-N 1 1 290.794 2.615 20 30 CFEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(C)c(C)c1 ZINC000491779851 332344437 /nfs/dbraw/zinc/34/44/37/332344437.db2.gz JMHYYHWNNJEESG-QGZVFWFLSA-N 1 1 284.403 2.580 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000491805823 332359415 /nfs/dbraw/zinc/35/94/15/332359415.db2.gz PIKBTZGMRSDPDU-CYBMUJFWSA-N 1 1 280.412 2.587 20 30 CFEDMO CC(C)(C)OC(=O)N[C@H](C[NH2+]CCC#N)c1ccccc1 ZINC000496842691 332561956 /nfs/dbraw/zinc/56/19/56/332561956.db2.gz XXFITZRRZZRMDN-CQSZACIVSA-N 1 1 289.379 2.756 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336711968 335114209 /nfs/dbraw/zinc/11/42/09/335114209.db2.gz LQBFEKVVDOMVFU-AEFFLSMTSA-N 1 1 299.418 2.565 20 30 CFEDMO C=CCCCCC[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000516765634 333082211 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C[C@@H](C#N)Oc1ccc(CNCC[N@@H+]2CCC[C@@H]2C)cc1 ZINC000742386583 574279553 /nfs/dbraw/zinc/27/95/53/574279553.db2.gz IAOXAPFHBSOIES-GJZGRUSLSA-N 1 1 287.407 2.551 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(CNCC[N@H+]2CCC[C@@H]2C)cc1 ZINC000742386583 574279554 /nfs/dbraw/zinc/27/95/54/574279554.db2.gz IAOXAPFHBSOIES-GJZGRUSLSA-N 1 1 287.407 2.551 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CNCC[N@@H+]2CCC[C@H]2C)cc1 ZINC000742386584 574279577 /nfs/dbraw/zinc/27/95/77/574279577.db2.gz IAOXAPFHBSOIES-HUUCEWRRSA-N 1 1 287.407 2.551 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CNCC[N@H+]2CCC[C@H]2C)cc1 ZINC000742386584 574279579 /nfs/dbraw/zinc/27/95/79/574279579.db2.gz IAOXAPFHBSOIES-HUUCEWRRSA-N 1 1 287.407 2.551 20 30 CFEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000749159550 574282974 /nfs/dbraw/zinc/28/29/74/574282974.db2.gz FOKCWLQPKHSTAJ-AWEZNQCLSA-N 1 1 258.365 2.586 20 30 CFEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000749159550 574282977 /nfs/dbraw/zinc/28/29/77/574282977.db2.gz 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1 290.436 2.527 20 30 CFEDMO Cc1ccc(CO[NH+]=C(N)c2ccc3c(c2)CCO3)cc1 ZINC000753822582 574410735 /nfs/dbraw/zinc/41/07/35/574410735.db2.gz UOCUWYMKOKVMIM-UHFFFAOYSA-N 1 1 282.343 2.767 20 30 CFEDMO C[C@H](NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)c1ccc(C#N)cc1 ZINC000900128260 620643558 /nfs/dbraw/zinc/64/35/58/620643558.db2.gz SQGSMTFLJHAUFK-RRQGHBQHSA-N 1 1 297.402 2.752 20 30 CFEDMO C[C@H](NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)c1ccc(C#N)cc1 ZINC000900128259 620643814 /nfs/dbraw/zinc/64/38/14/620643814.db2.gz SQGSMTFLJHAUFK-JQFCIGGWSA-N 1 1 297.402 2.752 20 30 CFEDMO N#CCOc1cccc(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC000900236869 620652936 /nfs/dbraw/zinc/65/29/36/620652936.db2.gz CMCQQJKAIOCYBS-GDBMZVCRSA-N 1 1 299.374 2.544 20 30 CFEDMO CN(C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)c1cccc(C#N)c1 ZINC000900377060 620667213 /nfs/dbraw/zinc/66/72/13/620667213.db2.gz GPZNYHQANNOAKB-GDBMZVCRSA-N 1 1 283.375 2.538 20 30 CFEDMO C=C(C)C[NH+]1CCC([NH2+]Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000833369326 605090772 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/nfs/dbraw/zinc/16/58/03/621165803.db2.gz DPPPOUACZPFNJG-IAGOWNOFSA-N 1 1 271.408 2.939 20 30 CFEDMO C=C(Br)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000163172218 625468798 /nfs/dbraw/zinc/46/87/98/625468798.db2.gz PNUVDICRJFXAHE-TUAOUCFPSA-N 1 1 274.202 2.520 20 30 CFEDMO C[C@@H]([NH2+]C[C@H](C)N1CCC(C)CC1)c1cc(C#N)ccn1 ZINC000902780593 621172443 /nfs/dbraw/zinc/17/24/43/621172443.db2.gz KYSCXJVTZUGFSL-LSDHHAIUSA-N 1 1 286.423 2.724 20 30 CFEDMO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902810481 621184096 /nfs/dbraw/zinc/18/40/96/621184096.db2.gz VIIFTNXLUOHBJF-IAQYHMDHSA-N 1 1 293.374 2.780 20 30 CFEDMO COc1cc(F)cc(C[NH2+][C@H](C)c2cc(C#N)ccn2)c1 ZINC000902893088 621201160 /nfs/dbraw/zinc/20/11/60/621201160.db2.gz TWPREVSERYBRCV-LLVKDONJSA-N 1 1 285.322 2.952 20 30 CFEDMO CC[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1 ZINC000902992770 621219794 /nfs/dbraw/zinc/21/97/94/621219794.db2.gz LZEYUDFAYNOSNA-CABCVRRESA-N 1 1 280.375 2.880 20 30 CFEDMO C[C@@H](NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(C#N)ccn1 ZINC000902973972 621221511 /nfs/dbraw/zinc/22/15/11/621221511.db2.gz ZHQIKVZDNZWCBT-CJNGLKHVSA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@@H](NC[C@@H]1CCCC[N@H+]1C1CC1)c1cc(C#N)ccn1 ZINC000902973972 621221513 /nfs/dbraw/zinc/22/15/13/621221513.db2.gz ZHQIKVZDNZWCBT-CJNGLKHVSA-N 1 1 284.407 2.621 20 30 CFEDMO CC[C@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc(C#N)c1 ZINC000903003088 621226900 /nfs/dbraw/zinc/22/69/00/621226900.db2.gz ORRZJINWRHVXPU-LSDHHAIUSA-N 1 1 266.348 2.940 20 30 CFEDMO CC[C@@H]([NH2+][C@H]1CCn2ccnc21)c1cccc(C#N)c1 ZINC000903003085 621226960 /nfs/dbraw/zinc/22/69/60/621226960.db2.gz ORRZJINWRHVXPU-CABCVRRESA-N 1 1 266.348 2.940 20 30 CFEDMO C[C@@H]([NH2+]CC1(C#N)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000903032426 621230454 /nfs/dbraw/zinc/23/04/54/621230454.db2.gz SPJGDIRKWGWYEU-LLVKDONJSA-N 1 1 259.309 2.939 20 30 CFEDMO C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000903058116 621236467 /nfs/dbraw/zinc/23/64/67/621236467.db2.gz DSOQEOSFKTWQNA-OGHNNQOOSA-N 1 1 281.359 2.726 20 30 CFEDMO COc1ncc([C@H](C)[NH2+]CC2(C#N)CC2)cc1Cl ZINC000903105554 621254951 /nfs/dbraw/zinc/25/49/51/621254951.db2.gz DQTYWBFELJBGNU-VIFPVBQESA-N 1 1 265.744 2.698 20 30 CFEDMO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC1(C#N)CC1)CCC2 ZINC000903105902 621255248 /nfs/dbraw/zinc/25/52/48/621255248.db2.gz IMSQEIRXQBIMCP-HNNXBMFYSA-N 1 1 284.359 2.744 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN(C1CC1)C1CC[NH2+]CC1 ZINC000903420677 621377783 /nfs/dbraw/zinc/37/77/83/621377783.db2.gz FKYPRDYXYQCTAD-UHFFFAOYSA-N 1 1 283.419 2.892 20 30 CFEDMO N#Cc1cc(Cl)cc(CN2CCC(CC[NH3+])CC2)c1 ZINC000903461615 621381465 /nfs/dbraw/zinc/38/14/65/621381465.db2.gz WDBABDBRAOPAAW-UHFFFAOYSA-N 1 1 277.799 2.772 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1[C@H](C)CCN[C@H]1C ZINC000903454944 621387901 /nfs/dbraw/zinc/38/79/01/621387901.db2.gz OOFBXJFDEYAIGG-HYSWKAIVSA-N 1 1 271.408 2.651 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1[C@H](C)CCN[C@@H]1C ZINC000903454945 621388150 /nfs/dbraw/zinc/38/81/50/621388150.db2.gz OOFBXJFDEYAIGG-JDSLSITLSA-N 1 1 271.408 2.651 20 30 CFEDMO N#CC1(CCCCN[C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000903769673 621438114 /nfs/dbraw/zinc/43/81/14/621438114.db2.gz LVYSUXQXTREEEI-CQSZACIVSA-N 1 1 261.413 2.725 20 30 CFEDMO N#Cc1ccc(C2([NH2+]C[C@H](N)CC(F)F)CCC2)cc1 ZINC000903931157 621476536 /nfs/dbraw/zinc/47/65/36/621476536.db2.gz AAQCETHOPIZVHE-CYBMUJFWSA-N 1 1 279.334 2.510 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(N(C)C)nc2)no1 ZINC000904566166 621611255 /nfs/dbraw/zinc/61/12/55/621611255.db2.gz FBPSJUZOAYIJFE-GFCCVEGCSA-N 1 1 287.367 2.554 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cn(C)nc2C(C)C)no1 ZINC000904724600 621625409 /nfs/dbraw/zinc/62/54/09/621625409.db2.gz PHXPGTYKIIMCMA-GFCCVEGCSA-N 1 1 289.383 2.950 20 30 CFEDMO Cc1cc(-c2ccc(C[NH+]3CCOCC3)cc2)cc(C#N)n1 ZINC000904798915 621650394 /nfs/dbraw/zinc/65/03/94/621650394.db2.gz JRRAHGLLLHYTSW-UHFFFAOYSA-N 1 1 293.370 2.761 20 30 CFEDMO CCCCCCCCC[N@H+]1CCN(CCO)C[C@@H]1C ZINC000832781633 625513832 /nfs/dbraw/zinc/51/38/32/625513832.db2.gz CWHKKAQSBGYYMF-INIZCTEOSA-N 1 1 270.461 2.735 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CNc1nc(N(C)C)cc[nH+]1 ZINC000905411681 621761925 /nfs/dbraw/zinc/76/19/25/621761925.db2.gz PPQWNQNEFXZEIV-UHFFFAOYSA-N 1 1 281.363 2.643 20 30 CFEDMO C#CC[NH+](CC#C)Cc1cccc(OCC(F)(F)F)c1 ZINC000076185865 625519883 /nfs/dbraw/zinc/51/98/83/625519883.db2.gz MUONJTMVJIUWJU-UHFFFAOYSA-N 1 1 281.277 2.696 20 30 CFEDMO C=CC[C@@H]([NH2+]CC[C@@H]1CCCC1(F)F)C(=O)OC ZINC000905782189 621847420 /nfs/dbraw/zinc/84/74/20/621847420.db2.gz ZBMIMICYRVRMRG-WDEREUQCSA-N 1 1 261.312 2.519 20 30 CFEDMO C=CC[C@H]([NH2+]C[C@H]1CCCCC(F)(F)C1)C(=O)OC ZINC000905767970 621858302 /nfs/dbraw/zinc/85/83/02/621858302.db2.gz RHMMMCAXJFKQRX-RYUDHWBXSA-N 1 1 275.339 2.909 20 30 CFEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1F ZINC000905937119 621904117 /nfs/dbraw/zinc/90/41/17/621904117.db2.gz ZZQWXGUERAJWJJ-AWEZNQCLSA-N 1 1 275.327 2.509 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cc(C#N)ccc1F ZINC000905937119 621904118 /nfs/dbraw/zinc/90/41/18/621904118.db2.gz ZZQWXGUERAJWJJ-AWEZNQCLSA-N 1 1 275.327 2.509 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001015859565 625527919 /nfs/dbraw/zinc/52/79/19/625527919.db2.gz FTIFCOGQWIWLHS-YOEHRIQHSA-N 1 1 286.419 2.729 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)N(CCC#N)CC(C)C)C1 ZINC000906427799 621989566 /nfs/dbraw/zinc/98/95/66/621989566.db2.gz JBUBNMRMQIIGHW-HNNXBMFYSA-N 1 1 279.428 2.507 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCOc1cccc(OCC#N)c1 ZINC000906507327 621994800 /nfs/dbraw/zinc/99/48/00/621994800.db2.gz MCGUTMUBOOIELI-AWEZNQCLSA-N 1 1 274.364 2.842 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000906547750 622003387 /nfs/dbraw/zinc/00/33/87/622003387.db2.gz HCXHCUMCEPDDRK-LBPRGKRZSA-N 1 1 289.354 2.758 20 30 CFEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000907434281 622127020 /nfs/dbraw/zinc/12/70/20/622127020.db2.gz ZTBGGZLWIYIKBU-HNNXBMFYSA-N 1 1 264.413 2.722 20 30 CFEDMO C=C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000907806527 622162704 /nfs/dbraw/zinc/16/27/04/622162704.db2.gz BYIGLGMLKQHODO-LSDHHAIUSA-N 1 1 264.413 2.676 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001015869576 625549964 /nfs/dbraw/zinc/54/99/64/625549964.db2.gz XMWRCJGYPDIYRI-ZIAGYGMSSA-N 1 1 290.382 2.696 20 30 CFEDMO C#Cc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000908358844 622220469 /nfs/dbraw/zinc/22/04/69/622220469.db2.gz PXHULNBFDWPHTI-OAHLLOKOSA-N 1 1 296.414 2.614 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)CC[C@@H]1CCc2ccccc21 ZINC000908437981 622230470 /nfs/dbraw/zinc/23/04/70/622230470.db2.gz WEJUNYFRZFSRPK-KRWDZBQOSA-N 1 1 298.430 2.568 20 30 CFEDMO C[N@H+]1CCN(C(=O)CCCCC#N)CC12CCCCC2 ZINC000908574167 622247481 /nfs/dbraw/zinc/24/74/81/622247481.db2.gz DKYUJPORIVSYQW-UHFFFAOYSA-N 1 1 277.412 2.547 20 30 CFEDMO C=CCC1(C(=O)N2CCC[N@H+](CC)C[C@H]2C)CCC1 ZINC000910280871 622424312 /nfs/dbraw/zinc/42/43/12/622424312.db2.gz TYULSOWUTFGBLG-CQSZACIVSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C3CCC3)CCC[C@@H]12 ZINC000991331719 622522914 /nfs/dbraw/zinc/52/29/14/622522914.db2.gz NXAKMIDKJXTOMV-YSVLISHTSA-N 1 1 276.424 2.722 20 30 CFEDMO C=CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)c1ccncc1 ZINC000820018588 622598546 /nfs/dbraw/zinc/59/85/46/622598546.db2.gz SWBXPBPXCQLEOF-OAHLLOKOSA-N 1 1 289.423 2.793 20 30 CFEDMO C[C@H](CC(C)(C)C#N)[NH2+]C1CCN(C2CCC2)CC1 ZINC000924843689 622612932 /nfs/dbraw/zinc/61/29/32/622612932.db2.gz LURWGSKZTOJPHT-CYBMUJFWSA-N 1 1 263.429 2.921 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000820609253 622715509 /nfs/dbraw/zinc/71/55/09/622715509.db2.gz PZNCOZYWBZLHMO-HOCLYGCPSA-N 1 1 264.413 2.533 20 30 CFEDMO C=CCC1(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CCCC1 ZINC000912522572 622738210 /nfs/dbraw/zinc/73/82/10/622738210.db2.gz OMUXQPAPIMUEMC-CYBMUJFWSA-N 1 1 264.413 2.864 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000821026333 622825408 /nfs/dbraw/zinc/82/54/08/622825408.db2.gz VSAOVEHGYCKJGM-GOEBONIOSA-N 1 1 264.413 2.533 20 30 CFEDMO C=CCCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000913105518 622835139 /nfs/dbraw/zinc/83/51/39/622835139.db2.gz ZFFZOIWXFWCTNY-WBVHZDCISA-N 1 1 286.419 2.979 20 30 CFEDMO C=CCCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000913105517 622836439 /nfs/dbraw/zinc/83/64/39/622836439.db2.gz ZFFZOIWXFWCTNY-RDJZCZTQSA-N 1 1 286.419 2.979 20 30 CFEDMO CC(C)C#CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000913097344 622836461 /nfs/dbraw/zinc/83/64/61/622836461.db2.gz LPESOPHRUCPSDR-WMZOPIPTSA-N 1 1 298.430 2.673 20 30 CFEDMO C=C(Br)C[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000821336714 622897138 /nfs/dbraw/zinc/89/71/38/622897138.db2.gz IBJWVAZWFKDPLH-GFCCVEGCSA-N 1 1 298.228 2.754 20 30 CFEDMO C=C(Br)C[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000821336714 622897144 /nfs/dbraw/zinc/89/71/44/622897144.db2.gz IBJWVAZWFKDPLH-GFCCVEGCSA-N 1 1 298.228 2.754 20 30 CFEDMO C#CC[C@H](NC(=O)Cn1cc[nH+]c1C(C)C)c1ccccc1 ZINC000821340056 622898092 /nfs/dbraw/zinc/89/80/92/622898092.db2.gz OLVFAEGMWMCEQK-INIZCTEOSA-N 1 1 295.386 2.887 20 30 CFEDMO C#CC[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)c1ccccc1 ZINC000821340057 622898375 /nfs/dbraw/zinc/89/83/75/622898375.db2.gz OLVFAEGMWMCEQK-MRXNPFEDSA-N 1 1 295.386 2.887 20 30 CFEDMO N#Cc1cc(F)cc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC000913431049 622901767 /nfs/dbraw/zinc/90/17/67/622901767.db2.gz OZQSYKZTMJCZAH-CABCVRRESA-N 1 1 287.338 2.653 20 30 CFEDMO C=C(C)C(C)(C)C(=O)OCCC[NH+]1CCN(C(C)C)CC1 ZINC000821452114 622925967 /nfs/dbraw/zinc/92/59/67/622925967.db2.gz NWQWXTWTTBYIDF-UHFFFAOYSA-N 1 1 296.455 2.548 20 30 CFEDMO C=CCc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)c(O)c(OC)c1 ZINC000163954038 622932174 /nfs/dbraw/zinc/93/21/74/622932174.db2.gz FYURKUPDGKSUEE-CHWSQXEVSA-N 1 1 291.391 2.739 20 30 CFEDMO CC[C@@H](CNC(=O)C#CC(C)C)[N@H+]1CCc2ccccc2C1 ZINC000821496867 622933919 /nfs/dbraw/zinc/93/39/19/622933919.db2.gz UBCHBRCOWAHTRH-SFHVURJKSA-N 1 1 298.430 2.599 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000184499858 625607776 /nfs/dbraw/zinc/60/77/76/625607776.db2.gz IHAIDFHQDIXZFY-INIZCTEOSA-N 1 1 285.343 2.505 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@H]2COC)c1O ZINC000164456010 622956072 /nfs/dbraw/zinc/95/60/72/622956072.db2.gz NMBDMVPEEWRDCF-HNNXBMFYSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@H](C)[C@@H]2C)c1O ZINC000164515243 622958294 /nfs/dbraw/zinc/95/82/94/622958294.db2.gz NDHHNSJORWCYMX-QWHCGFSZSA-N 1 1 291.391 2.739 20 30 CFEDMO Cc1cc(C#N)cc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC000822063329 623025911 /nfs/dbraw/zinc/02/59/11/623025911.db2.gz CALOJVLATDEXMW-OAHLLOKOSA-N 1 1 271.364 2.678 20 30 CFEDMO COCC[N@H+](C/C=C/Cl)Cc1ccc(C#N)cc1 ZINC000058397874 623046517 /nfs/dbraw/zinc/04/65/17/623046517.db2.gz QLDBPHJPOOGTEV-FARCUNLSSA-N 1 1 264.756 2.759 20 30 CFEDMO COCC[N@@H+](C/C=C/Cl)Cc1ccc(C#N)cc1 ZINC000058397874 623046525 /nfs/dbraw/zinc/04/65/25/623046525.db2.gz QLDBPHJPOOGTEV-FARCUNLSSA-N 1 1 264.756 2.759 20 30 CFEDMO C=C[C@@H](CC)CC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000822271949 623067206 /nfs/dbraw/zinc/06/72/06/623067206.db2.gz FOCZMEQWSRGQLH-ZDUSSCGKSA-N 1 1 252.402 2.579 20 30 CFEDMO C=C(Br)C[NH2+][C@@H]1CCc2cccnc21 ZINC000226828969 623091458 /nfs/dbraw/zinc/09/14/58/623091458.db2.gz WOESZAWQOCMUBE-SNVBAGLBSA-N 1 1 253.143 2.567 20 30 CFEDMO COc1ccc(C(N)=[NH+]OCCCC(C)(C)C#N)cc1 ZINC000158122545 623096445 /nfs/dbraw/zinc/09/64/45/623096445.db2.gz PBZNQRPXRBGPBL-UHFFFAOYSA-N 1 1 275.352 2.662 20 30 CFEDMO C[N@@H+](Cc1ccccc1C#N)C[C@@](C)(O)c1ccccc1 ZINC000822517268 623120167 /nfs/dbraw/zinc/12/01/67/623120167.db2.gz WBUNWOWMPRJRCN-GOSISDBHSA-N 1 1 280.371 2.898 20 30 CFEDMO CCc1ccccc1-c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000822701120 623154808 /nfs/dbraw/zinc/15/48/08/623154808.db2.gz LIGCJDPDEAFNOB-ZDUSSCGKSA-N 1 1 270.336 2.993 20 30 CFEDMO C=CC1(CC(=O)N[C@@H]2CC[N@H+](CC)C2)CCCCC1 ZINC000822787252 623175013 /nfs/dbraw/zinc/17/50/13/623175013.db2.gz FWTLHPTWCZTWGX-CQSZACIVSA-N 1 1 264.413 2.723 20 30 CFEDMO Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(C#N)cc1 ZINC000061106362 623183863 /nfs/dbraw/zinc/18/38/63/623183863.db2.gz VDTKCBSDSAEXFR-UHFFFAOYSA-N 1 1 274.755 2.543 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccc(Cl)o2)no1 ZINC000823088960 623232310 /nfs/dbraw/zinc/23/23/10/623232310.db2.gz POSHZIYCBSSXGS-SSDOTTSWSA-N 1 1 266.688 2.677 20 30 CFEDMO CC[NH+](CC)[C@@H](C(=O)OCCCC#N)c1ccccc1 ZINC000171810205 623243879 /nfs/dbraw/zinc/24/38/79/623243879.db2.gz GURKXSAPHVZNCB-OAHLLOKOSA-N 1 1 274.364 2.916 20 30 CFEDMO C=C(C)COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000171881958 623247061 /nfs/dbraw/zinc/24/70/61/623247061.db2.gz GSDYGSHINNFMPM-HNNXBMFYSA-N 1 1 259.349 2.770 20 30 CFEDMO C=C(C)COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000171881958 623247066 /nfs/dbraw/zinc/24/70/66/623247066.db2.gz GSDYGSHINNFMPM-HNNXBMFYSA-N 1 1 259.349 2.770 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000823283775 623283610 /nfs/dbraw/zinc/28/36/10/623283610.db2.gz FTILYEWKAVWCFQ-YOEHRIQHSA-N 1 1 299.418 2.950 20 30 CFEDMO CSc1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)nc1 ZINC000823287125 623284351 /nfs/dbraw/zinc/28/43/51/623284351.db2.gz JSBMYVZMKZAHDQ-JTQLQIEISA-N 1 1 289.364 2.547 20 30 CFEDMO CCCCC(N)=[NH+]OCc1ccn(-c2ccc(F)cc2)n1 ZINC000174126651 623390170 /nfs/dbraw/zinc/39/01/70/623390170.db2.gz ITQALNQQCFOGJZ-UHFFFAOYSA-N 1 1 290.342 2.990 20 30 CFEDMO C=CC1(CC(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)CCCCC1 ZINC000823784181 623394814 /nfs/dbraw/zinc/39/48/14/623394814.db2.gz PXWVUQXGJGGRGV-CVEARBPZSA-N 1 1 290.451 2.923 20 30 CFEDMO C=C[C@H](CC)CC(=O)NCCC[N@@H+](C)CC(C)C ZINC000823823817 623401163 /nfs/dbraw/zinc/40/11/63/623401163.db2.gz GMTIYICZWAKYHH-CQSZACIVSA-N 1 1 254.418 2.683 20 30 CFEDMO CCOc1ncccc1C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000174263322 623403104 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627439314 /nfs/dbraw/zinc/43/93/14/627439314.db2.gz YPZYQJXMCZODNA-UHFFFAOYSA-N 1 1 273.763 2.973 20 30 CFEDMO C#CCOc1ccc(C[N@@H+](C)CCOC(C)(C)C)cc1 ZINC000769517866 627450600 /nfs/dbraw/zinc/45/06/00/627450600.db2.gz YLGLAKKJJZLXQD-UHFFFAOYSA-N 1 1 275.392 2.946 20 30 CFEDMO C#CC[N@@H+](CCO[C@H]1CCCCO1)C1CCCCC1 ZINC000769704832 627467964 /nfs/dbraw/zinc/46/79/64/627467964.db2.gz GTNVEJOPTXVXTQ-INIZCTEOSA-N 1 1 265.397 2.798 20 30 CFEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000769821591 627478385 /nfs/dbraw/zinc/47/83/85/627478385.db2.gz IHLUFHKWAMOAMT-SECBINFHSA-N 1 1 292.314 2.616 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc2c(c(Cl)c1)OCO2 ZINC000769962178 627492361 /nfs/dbraw/zinc/49/23/61/627492361.db2.gz SUBUSQOOBNUMOF-SECBINFHSA-N 1 1 251.713 2.522 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000769963004 627492688 /nfs/dbraw/zinc/49/26/88/627492688.db2.gz OLPDFNWYENQKMQ-BEFAXECRSA-N 1 1 298.430 2.988 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 ZINC000769963004 627492689 /nfs/dbraw/zinc/49/26/89/627492689.db2.gz OLPDFNWYENQKMQ-BEFAXECRSA-N 1 1 298.430 2.988 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CCOc1ccccc1Br ZINC000769977272 627493775 /nfs/dbraw/zinc/49/37/75/627493775.db2.gz DEQJZIWCHGOOHK-LLVKDONJSA-N 1 1 282.181 2.781 20 30 CFEDMO C#CCOCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(OC)c1 ZINC000851922200 634589533 /nfs/dbraw/zinc/58/95/33/634589533.db2.gz KLXNPCRGNCKKTM-WMLDXEAASA-N 1 1 273.376 2.728 20 30 CFEDMO C#CCCCC[NH2+][C@H]1CCN(CCCOCC)C[C@@H]1C ZINC000773041812 627773455 /nfs/dbraw/zinc/77/34/55/627773455.db2.gz SJLDIMFFLPNCEL-IRXDYDNUSA-N 1 1 280.456 2.517 20 30 CFEDMO C=C(CC)C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000773429106 627817794 /nfs/dbraw/zinc/81/77/94/627817794.db2.gz NQPDDKUNMCUCPU-DLBZAZTESA-N 1 1 275.392 2.777 20 30 CFEDMO C=C(CC)C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000773429106 627817801 /nfs/dbraw/zinc/81/78/01/627817801.db2.gz 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/nfs/dbraw/zinc/99/82/67/627998267.db2.gz YGXATFIUKGSISU-LBPRGKRZSA-N 1 1 254.333 2.697 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000775183239 627999095 /nfs/dbraw/zinc/99/90/95/627999095.db2.gz KSLVTOMPUBBEEE-JTQLQIEISA-N 1 1 282.181 2.917 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(C)cc(Br)c1O ZINC000775183239 627999098 /nfs/dbraw/zinc/99/90/98/627999098.db2.gz KSLVTOMPUBBEEE-JTQLQIEISA-N 1 1 282.181 2.917 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@H]1CCCO1 ZINC000775342309 628012364 /nfs/dbraw/zinc/01/23/64/628012364.db2.gz QGQKNPHNOTUVTC-ZIAGYGMSSA-N 1 1 276.405 2.681 20 30 CFEDMO N#CCSCCCOC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000805543256 628012610 /nfs/dbraw/zinc/01/26/10/628012610.db2.gz GLNSTAUPXJNHPX-AWEZNQCLSA-N 1 1 296.436 2.583 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@H]1CCCO1 ZINC000775342282 628012676 /nfs/dbraw/zinc/01/26/76/628012676.db2.gz QBDALZHASCPOSF-CHWSQXEVSA-N 1 1 278.421 2.711 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000775341172 628012889 /nfs/dbraw/zinc/01/28/89/628012889.db2.gz KSUUBDLMYJZRLG-JSGCOSHPSA-N 1 1 294.738 2.519 20 30 CFEDMO C#CC[C@H]([NH2+]Cc1cc(C(=O)OC)co1)c1ccccc1 ZINC000775403321 628021888 /nfs/dbraw/zinc/02/18/88/628021888.db2.gz FSXXOIKXHUTJJG-INIZCTEOSA-N 1 1 283.327 2.920 20 30 CFEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2nccn2C)c1 ZINC000775411758 628022500 /nfs/dbraw/zinc/02/25/00/628022500.db2.gz WYZKDJBUUAFZRT-ZFWWWQNUSA-N 1 1 298.390 2.952 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1OC)[C@H]1CCCO1 ZINC000775574813 628041972 /nfs/dbraw/zinc/04/19/72/628041972.db2.gz RYYLAKNGXOKGSL-YLQAJVPDSA-N 1 1 289.375 2.535 20 30 CFEDMO C=C(C)CC[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000775592100 628044492 /nfs/dbraw/zinc/04/44/92/628044492.db2.gz SGCUIJIIBVWNJW-UHFFFAOYSA-N 1 1 268.401 2.895 20 30 CFEDMO C=C1CC[NH+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775680671 628054802 /nfs/dbraw/zinc/05/48/02/628054802.db2.gz HHVMOQPXRWSUBM-UHFFFAOYSA-N 1 1 285.435 2.590 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(-c2ccc(C)cc2)no1)[C@H]1CCCO1 ZINC000775801765 628070587 /nfs/dbraw/zinc/07/05/87/628070587.db2.gz VZVKHIZOHHPLDU-SJLPKXTDSA-N 1 1 296.370 2.920 20 30 CFEDMO CC[C@H](C[N@@H+](CC)CC(=O)NCCC#N)c1ccccc1 ZINC000775896820 628081123 /nfs/dbraw/zinc/08/11/23/628081123.db2.gz UQCQSBKHOZYAGW-OAHLLOKOSA-N 1 1 287.407 2.532 20 30 CFEDMO C[C@@H](C(=O)OCCC(C)(C)C#N)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000776385934 628140830 /nfs/dbraw/zinc/14/08/30/628140830.db2.gz IYCRVOYKQDAYJD-XQQFMLRXSA-N 1 1 266.385 2.731 20 30 CFEDMO C=CC[N@@H+](CN1C[C@@](C)(c2ccccc2)CC1=O)C1CC1 ZINC000777539953 628234035 /nfs/dbraw/zinc/23/40/35/628234035.db2.gz XKYVWKBXHWDJQR-SFHVURJKSA-N 1 1 284.403 2.785 20 30 CFEDMO C=CC[N@H+](CN1C[C@@](C)(c2ccccc2)CC1=O)C1CC1 ZINC000777539953 628234037 /nfs/dbraw/zinc/23/40/37/628234037.db2.gz XKYVWKBXHWDJQR-SFHVURJKSA-N 1 1 284.403 2.785 20 30 CFEDMO C=C(C)C[N@H+](C)Cn1ncc(Br)c1C1CC1 ZINC000777964654 628268643 /nfs/dbraw/zinc/26/86/43/628268643.db2.gz RBAVYEDPGDFOFL-UHFFFAOYSA-N 1 1 284.201 2.988 20 30 CFEDMO C=C(C)C[N@@H+](C)Cn1ncc(Br)c1C1CC1 ZINC000777964654 628268644 /nfs/dbraw/zinc/26/86/44/628268644.db2.gz RBAVYEDPGDFOFL-UHFFFAOYSA-N 1 1 284.201 2.988 20 30 CFEDMO COC[C@H](C)NN=C1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000777902823 628263359 /nfs/dbraw/zinc/26/33/59/628263359.db2.gz VOZFNNKIKAVHDT-GJZGRUSLSA-N 1 1 289.423 2.509 20 30 CFEDMO C[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1F ZINC000778231903 628290022 /nfs/dbraw/zinc/29/00/22/628290022.db2.gz DGZBYKGMUQBQIY-IUODEOHRSA-N 1 1 262.328 2.769 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1F ZINC000778231903 628290024 /nfs/dbraw/zinc/29/00/24/628290024.db2.gz DGZBYKGMUQBQIY-IUODEOHRSA-N 1 1 262.328 2.769 20 30 CFEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000778237308 628290704 /nfs/dbraw/zinc/29/07/04/628290704.db2.gz MBESKTAIWAJFTL-UHFFFAOYSA-N 1 1 297.742 2.695 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000778237308 628290706 /nfs/dbraw/zinc/29/07/06/628290706.db2.gz MBESKTAIWAJFTL-UHFFFAOYSA-N 1 1 297.742 2.695 20 30 CFEDMO CC(=NNCC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779773640 628401725 /nfs/dbraw/zinc/40/17/25/628401725.db2.gz ZUOYOHOGFYMDCL-CQSZACIVSA-N 1 1 281.350 2.739 20 30 CFEDMO COC[C@@H](C)NN=C(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779781500 628402856 /nfs/dbraw/zinc/40/28/56/628402856.db2.gz BJIBVUDZIQKVKQ-PBHICJAKSA-N 1 1 289.423 2.509 20 30 CFEDMO CC[C@@H]1C[C@@H](C=[NH+]n2cc(Br)cn2)CCO1 ZINC000779784951 628403821 /nfs/dbraw/zinc/40/38/21/628403821.db2.gz TZDHNNPERXBNJM-GXSJLCMTSA-N 1 1 286.173 2.685 20 30 CFEDMO CCC(=NNc1cc[nH+]cc1)c1ccc(O)c(F)c1 ZINC000779810081 628409346 /nfs/dbraw/zinc/40/93/46/628409346.db2.gz ZXNBQSIPUTZLJA-UHFFFAOYSA-N 1 1 259.284 2.574 20 30 CFEDMO FC(F)Oc1ccccc1C=NNc1cc[nH+]cc1 ZINC000779811258 628409985 /nfs/dbraw/zinc/40/99/85/628409985.db2.gz NUUDXMWADNBXMN-UHFFFAOYSA-N 1 1 263.247 2.551 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000852100682 634655431 /nfs/dbraw/zinc/65/54/31/634655431.db2.gz JCSZPQHXABDEMZ-RDJZCZTQSA-N 1 1 288.366 2.537 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000852102574 634656398 /nfs/dbraw/zinc/65/63/98/634656398.db2.gz ZHUZHUPTPGPDDK-HNNXBMFYSA-N 1 1 288.420 2.782 20 30 CFEDMO CC1(C#N)CC[NH+](C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000780334606 628456045 /nfs/dbraw/zinc/45/60/45/628456045.db2.gz ZHTPKHBCJRWCBO-AWEZNQCLSA-N 1 1 280.318 2.624 20 30 CFEDMO C#CCCCCCC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000780441849 628464377 /nfs/dbraw/zinc/46/43/77/628464377.db2.gz SACFAGWPISXRLU-INIZCTEOSA-N 1 1 278.440 2.807 20 30 CFEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)cn2)c(Cl)c1 ZINC000780554968 628475617 /nfs/dbraw/zinc/47/56/17/628475617.db2.gz CAFUMEHKZDJNMH-UHFFFAOYSA-N 1 1 287.750 2.905 20 30 CFEDMO CC(C)(C)c1ncc(C[NH2+]Cc2ccc(C#N)cn2)s1 ZINC000780555800 628475862 /nfs/dbraw/zinc/47/58/62/628475862.db2.gz SOKJSJDPGBSPIL-UHFFFAOYSA-N 1 1 286.404 2.997 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2cnc3ccc(Cl)cn23)nc1 ZINC000780556051 628475983 /nfs/dbraw/zinc/47/59/83/628475983.db2.gz LQLVDGYYYVZKQO-UHFFFAOYSA-N 1 1 297.749 2.544 20 30 CFEDMO CCOc1cc(C[NH2+]Cc2ccc(C#N)cn2)ccc1OC ZINC000780558790 628476534 /nfs/dbraw/zinc/47/65/34/628476534.db2.gz TXMWQLGJJJJIDZ-UHFFFAOYSA-N 1 1 297.358 2.650 20 30 CFEDMO C[C@H](C#N)Oc1ccccc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000780745244 628492421 /nfs/dbraw/zinc/49/24/21/628492421.db2.gz PBBHASFZADPWJR-BFHYXJOUSA-N 1 1 273.380 2.872 20 30 CFEDMO CCCCCC[N@@H+](C)CC(=O)N1CCC(C)(C#N)CC1 ZINC000780779830 628496662 /nfs/dbraw/zinc/49/66/62/628496662.db2.gz BVIHDCXOHZGJON-UHFFFAOYSA-N 1 1 279.428 2.651 20 30 CFEDMO CCCC[C@H](ON=C(C)C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000780982046 628510574 /nfs/dbraw/zinc/51/05/74/628510574.db2.gz QUCZBUIHUIJREK-HNNXBMFYSA-N 1 1 297.443 2.510 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)C2(C)CCCCCC2)CC1 ZINC000781154116 628527353 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629664661 /nfs/dbraw/zinc/66/46/61/629664661.db2.gz YJHQTIUMNVWJRF-UHFFFAOYSA-N 1 1 267.376 2.775 20 30 CFEDMO CCC(CC)C[N@H+](CC)Cn1nc(CC#N)n(C)c1=S ZINC000794619298 629668992 /nfs/dbraw/zinc/66/89/92/629668992.db2.gz HHFOEHKYJMLEQJ-UHFFFAOYSA-N 1 1 295.456 2.733 20 30 CFEDMO CCC(CC)C[N@@H+](CC)Cn1nc(CC#N)n(C)c1=S ZINC000794619298 629668999 /nfs/dbraw/zinc/66/89/99/629668999.db2.gz HHFOEHKYJMLEQJ-UHFFFAOYSA-N 1 1 295.456 2.733 20 30 CFEDMO CC(C)[N@@H+]1CC(=NNCc2ccccc2N(C)C)[C@H](C)C1 ZINC000794956085 629709290 /nfs/dbraw/zinc/70/92/90/629709290.db2.gz MZBMRFVELTUNGQ-CQSZACIVSA-N 1 1 288.439 2.558 20 30 CFEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)CC1=CCCOC1 ZINC000852519324 634769950 /nfs/dbraw/zinc/76/99/50/634769950.db2.gz YSGZPHRJNRKCSS-UHFFFAOYSA-N 1 1 286.375 2.606 20 30 CFEDMO COc1ccc([C@H]2CCC[N@H+]2CCO[C@H](C)C#N)cc1F ZINC000852521383 634770434 /nfs/dbraw/zinc/77/04/34/634770434.db2.gz OKPVMXQPUHFGIY-IUODEOHRSA-N 1 1 292.354 2.900 20 30 CFEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000796198645 629888483 /nfs/dbraw/zinc/88/84/83/629888483.db2.gz DSISPXMTTYAKCV-QFBILLFUSA-N 1 1 298.430 2.568 20 30 CFEDMO C=CC[N@H+](C[C@@H](O)P(=O)(OCC)OCC)C(C)(C)C ZINC000852554489 634777604 /nfs/dbraw/zinc/77/76/04/634777604.db2.gz ONQAMCLHKJAUJP-LBPRGKRZSA-N 1 1 293.344 2.857 20 30 CFEDMO C#CCCC[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000796580462 629937728 /nfs/dbraw/zinc/93/77/28/629937728.db2.gz ZIQPVMXTSFAWOY-UHFFFAOYSA-N 1 1 260.356 2.751 20 30 CFEDMO C=CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C(C)(C)C ZINC000852554210 634778014 /nfs/dbraw/zinc/77/80/14/634778014.db2.gz GOHUWONTTJUCQI-HNNXBMFYSA-N 1 1 258.365 2.878 20 30 CFEDMO CC(C)c1c(Cl)ncnc1N=NC1C[N@@H+](C)C[C@H]1C ZINC000797404229 630061561 /nfs/dbraw/zinc/06/15/61/630061561.db2.gz IKPHUPGDOMUYGS-SECBINFHSA-N 1 1 281.791 2.603 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000852598999 634790206 /nfs/dbraw/zinc/79/02/06/634790206.db2.gz AKUHQTQLDFSMNQ-OLZOCXBDSA-N 1 1 268.401 2.798 20 30 CFEDMO C=C(Cl)CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000798064949 630146034 /nfs/dbraw/zinc/14/60/34/630146034.db2.gz CXCMGWXDFUBXAV-AWEZNQCLSA-N 1 1 299.846 2.835 20 30 CFEDMO C#CCCCC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000839852294 630179675 /nfs/dbraw/zinc/17/96/75/630179675.db2.gz DUECTYNPFRVPIH-MRXNPFEDSA-N 1 1 284.403 2.523 20 30 CFEDMO C#CCCCC(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000839852294 630179677 /nfs/dbraw/zinc/17/96/77/630179677.db2.gz DUECTYNPFRVPIH-MRXNPFEDSA-N 1 1 284.403 2.523 20 30 CFEDMO C#C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)C(C)C ZINC000798513563 630198553 /nfs/dbraw/zinc/19/85/53/630198553.db2.gz GJZVORCQISFCGT-CVEARBPZSA-N 1 1 293.455 2.598 20 30 CFEDMO C#C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C(C)C ZINC000799046309 630269860 /nfs/dbraw/zinc/26/98/60/630269860.db2.gz HMHYUWMZQAFSIG-ZWKOTPCHSA-N 1 1 298.430 2.815 20 30 CFEDMO Cn1c(Cl)cnc1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000799341834 630301601 /nfs/dbraw/zinc/30/16/01/630301601.db2.gz CIHLQOZDWKPDMS-CYBMUJFWSA-N 1 1 286.766 2.722 20 30 CFEDMO CC[C@H]1CCC[C@H](C=NNCCC[NH+]2CCOCC2)C1 ZINC000799488633 630314346 /nfs/dbraw/zinc/31/43/46/630314346.db2.gz HJXGLUFPKARBMV-HOTGVXAUSA-N 1 1 281.444 2.501 20 30 CFEDMO CC(C)[C@@H]1CCCC(=NNCCC[NH+]2CCOCC2)C1 ZINC000799488579 630314628 /nfs/dbraw/zinc/31/46/28/630314628.db2.gz UEQRLRNTKKENSM-OAHLLOKOSA-N 1 1 281.444 2.501 20 30 CFEDMO Cc1ccc(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)cc1C#N ZINC000799547986 630319839 /nfs/dbraw/zinc/31/98/39/630319839.db2.gz BWCLKRZDOFUEOW-INIZCTEOSA-N 1 1 286.375 2.898 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000852681222 634804870 /nfs/dbraw/zinc/80/48/70/634804870.db2.gz FHQAWTXVAFRJEB-OAHLLOKOSA-N 1 1 266.429 2.901 20 30 CFEDMO Cc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)ccc1N(C)C ZINC000852687253 634807721 /nfs/dbraw/zinc/80/77/21/634807721.db2.gz RLBWZFQZBFQTAI-INIZCTEOSA-N 1 1 257.381 2.797 20 30 CFEDMO Cc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)ccc1N(C)C ZINC000852687253 634807727 /nfs/dbraw/zinc/80/77/27/634807727.db2.gz RLBWZFQZBFQTAI-INIZCTEOSA-N 1 1 257.381 2.797 20 30 CFEDMO C=CC[N@@H+](CC1CN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000800335573 630371626 /nfs/dbraw/zinc/37/16/26/630371626.db2.gz OXEUNFYYAIVYJU-UHFFFAOYSA-N 1 1 268.401 2.750 20 30 CFEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801562139 630458092 /nfs/dbraw/zinc/45/80/92/630458092.db2.gz WFMZGWWSNSKROT-NSHDSACASA-N 1 1 260.328 2.672 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@H](C(F)F)C1 ZINC000801562139 630458095 /nfs/dbraw/zinc/45/80/95/630458095.db2.gz WFMZGWWSNSKROT-NSHDSACASA-N 1 1 260.328 2.672 20 30 CFEDMO COc1ccc([C@@H](C)[N@@H+](C)CCO[C@@H](C)C#N)cc1 ZINC000801910821 630484347 /nfs/dbraw/zinc/48/43/47/630484347.db2.gz XVSLEGNONBXYIY-QWHCGFSZSA-N 1 1 262.353 2.617 20 30 CFEDMO COc1ccc([C@H](C)[N@@H+](C)CCO[C@@H](C)C#N)cc1 ZINC000801910822 630484448 /nfs/dbraw/zinc/48/44/48/630484448.db2.gz XVSLEGNONBXYIY-STQMWFEESA-N 1 1 262.353 2.617 20 30 CFEDMO COc1ccc([C@@H]2CCC[N@H+]2CCO[C@@H](C)C#N)cc1 ZINC000801911564 630485073 /nfs/dbraw/zinc/48/50/73/630485073.db2.gz MOGZHXCZRKVIDS-BBRMVZONSA-N 1 1 274.364 2.761 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000801909630 630485118 /nfs/dbraw/zinc/48/51/18/630485118.db2.gz DNMKLKAKPGYGNU-NEPJUHHUSA-N 1 1 250.317 2.747 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000801910572 630485294 /nfs/dbraw/zinc/48/52/94/630485294.db2.gz VDBDFWQYGMUNRU-NSHDSACASA-N 1 1 284.306 2.648 20 30 CFEDMO C[C@H](c1ccc(F)cc1)[N@H+](C)CCO[C@@H](C)C#N ZINC000801909631 630485438 /nfs/dbraw/zinc/48/54/38/630485438.db2.gz DNMKLKAKPGYGNU-NWDGAFQWSA-N 1 1 250.317 2.747 20 30 CFEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CCO[C@@H](C)C#N ZINC000801913505 630486147 /nfs/dbraw/zinc/48/61/47/630486147.db2.gz FUMYXQXCHHJWGR-GUYCJALGSA-N 1 1 288.391 2.933 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000801921922 630487655 /nfs/dbraw/zinc/48/76/55/630487655.db2.gz BYWQLWVTTSSOCC-NSHDSACASA-N 1 1 264.756 2.627 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000801921922 630487658 /nfs/dbraw/zinc/48/76/58/630487658.db2.gz BYWQLWVTTSSOCC-NSHDSACASA-N 1 1 264.756 2.627 20 30 CFEDMO Cc1ccc(C[C@@H](C)[N@H+](C)CCO[C@H](C)C#N)cc1 ZINC000801922941 630488507 /nfs/dbraw/zinc/48/85/07/630488507.db2.gz UJRRVSXRYJURJV-HUUCEWRRSA-N 1 1 260.381 2.787 20 30 CFEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCO[C@H](C)C#N ZINC000801923167 630488546 /nfs/dbraw/zinc/48/85/46/630488546.db2.gz ADEGWUSIAFSQFN-ZBFHGGJFSA-N 1 1 260.381 2.868 20 30 CFEDMO CC[C@H](Cc1ccccc1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801923165 630488771 /nfs/dbraw/zinc/48/87/71/630488771.db2.gz ADEGWUSIAFSQFN-GOEBONIOSA-N 1 1 260.381 2.868 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000801922085 630488878 /nfs/dbraw/zinc/48/88/78/630488878.db2.gz QMWBHMKUFGHLHF-ZDUSSCGKSA-N 1 1 276.355 2.966 20 30 CFEDMO CC[C@@H]1CN(C)c2ccccc2C[N@H+]1CCO[C@H](C)C#N ZINC000801926433 630489259 /nfs/dbraw/zinc/48/92/59/630489259.db2.gz QMNAVXDQGSNEGI-GDBMZVCRSA-N 1 1 287.407 2.646 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000801926880 630489962 /nfs/dbraw/zinc/48/99/62/630489962.db2.gz YBZIQEQNGBOFPB-GOEBONIOSA-N 1 1 258.365 2.579 20 30 CFEDMO C[C@@H](C#N)OCC[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000801930630 630489980 /nfs/dbraw/zinc/48/99/80/630489980.db2.gz FLOSVLYXRQSMCO-JSGCOSHPSA-N 1 1 287.388 2.751 20 30 CFEDMO C[C@H](C#N)OCC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000801930633 630490132 /nfs/dbraw/zinc/49/01/32/630490132.db2.gz FLOSVLYXRQSMCO-TZMCWYRMSA-N 1 1 287.388 2.751 20 30 CFEDMO COc1ccc(C[C@H](C)C[N@@H+](C)CCO[C@@H](C)C#N)cc1 ZINC000801935195 630491655 /nfs/dbraw/zinc/49/16/55/630491655.db2.gz AHJJNMQVSRLOMQ-GJZGRUSLSA-N 1 1 290.407 2.734 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000801950905 630494334 /nfs/dbraw/zinc/49/43/34/630494334.db2.gz PYNTUQQMWBLNOC-JTQLQIEISA-N 1 1 270.735 2.840 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000801950905 630494335 /nfs/dbraw/zinc/49/43/35/630494335.db2.gz PYNTUQQMWBLNOC-JTQLQIEISA-N 1 1 270.735 2.840 20 30 CFEDMO CCCC[N@@H+](CCO[C@@H](C)C#N)Cc1ccccc1O ZINC000801954638 630495158 /nfs/dbraw/zinc/49/51/58/630495158.db2.gz KPOIDZIBIUUSPO-AWEZNQCLSA-N 1 1 276.380 2.923 20 30 CFEDMO CC1=C(c2ccco2)C[N@@H+](CCO[C@@H](C)C#N)CC1 ZINC000801954621 630495195 /nfs/dbraw/zinc/49/51/95/630495195.db2.gz KFUMBIDDEALKCB-ZDUSSCGKSA-N 1 1 260.337 2.687 20 30 CFEDMO C=CCN1CCN(C[N@@H+](C)[C@@H]2CCCc3ccccc32)C1=O ZINC000839956175 630512602 /nfs/dbraw/zinc/51/26/02/630512602.db2.gz QVEJEHLYKXVVKH-QGZVFWFLSA-N 1 1 299.418 2.877 20 30 CFEDMO C=CCN1CCN(C[N@H+](C)[C@@H]2CCCc3ccccc32)C1=O ZINC000839956175 630512605 /nfs/dbraw/zinc/51/26/05/630512605.db2.gz QVEJEHLYKXVVKH-QGZVFWFLSA-N 1 1 299.418 2.877 20 30 CFEDMO C=C(CC)C[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852739211 634818505 /nfs/dbraw/zinc/81/85/05/634818505.db2.gz OTMUQJQNBSEGJA-CHWSQXEVSA-N 1 1 286.391 2.890 20 30 CFEDMO C[C@H](CCC#N)[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852738886 634818657 /nfs/dbraw/zinc/81/86/57/634818657.db2.gz CFKLRGQTXGKQBF-JHJVBQTASA-N 1 1 299.390 2.616 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852738886 634818661 /nfs/dbraw/zinc/81/86/61/634818661.db2.gz CFKLRGQTXGKQBF-JHJVBQTASA-N 1 1 299.390 2.616 20 30 CFEDMO C=CCN1CCN(C[N@@H+](C2CC2)C2CCCCC2)C1=O ZINC000839962445 630526060 /nfs/dbraw/zinc/52/60/60/630526060.db2.gz XOGKCLMFDOWTJX-UHFFFAOYSA-N 1 1 277.412 2.665 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)CN1CCC(C)(C)C1=O ZINC000839975697 630537912 /nfs/dbraw/zinc/53/79/12/630537912.db2.gz BCVBRXQCJTWGEK-UHFFFAOYSA-N 1 1 286.419 2.933 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)CN1CCC(C)(C)C1=O ZINC000839975697 630537914 /nfs/dbraw/zinc/53/79/14/630537914.db2.gz BCVBRXQCJTWGEK-UHFFFAOYSA-N 1 1 286.419 2.933 20 30 CFEDMO N#Cc1ccc(CC[N@@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)cc1 ZINC000852748014 634821397 /nfs/dbraw/zinc/82/13/97/634821397.db2.gz GDDMEBJVIXCUCR-RBUKOAKNSA-N 1 1 291.398 2.527 20 30 CFEDMO C#CCC[N@H+](CCOC)C[C@]1(C)CC1(Cl)Cl ZINC000852750463 634824460 /nfs/dbraw/zinc/82/44/60/634824460.db2.gz VWIHZGUNJIOUNF-NSHDSACASA-N 1 1 264.196 2.542 20 30 CFEDMO C#CCC[N@H+](CCCc1cccc(C)c1)CCOC ZINC000852750962 634824494 /nfs/dbraw/zinc/82/44/94/634824494.db2.gz KRTLMELVTIOLHO-UHFFFAOYSA-N 1 1 259.393 2.899 20 30 CFEDMO C#CCC[N@@H+](CCOC)CCO[C@@H]1CCCC[C@H]1C ZINC000852751740 634825647 /nfs/dbraw/zinc/82/56/47/634825647.db2.gz LOWWDJKJKSQCTE-HZPDHXFCSA-N 1 1 267.413 2.553 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1cccc(OC(C)C)c1 ZINC000852751887 634825806 /nfs/dbraw/zinc/82/58/06/634825806.db2.gz NNMVLORVRKFDHG-UHFFFAOYSA-N 1 1 275.392 2.946 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1cc(F)cc2cccnc21 ZINC000852752190 634825842 /nfs/dbraw/zinc/82/58/42/634825842.db2.gz WLLWKAXHPIAFGN-UHFFFAOYSA-N 1 1 286.350 2.846 20 30 CFEDMO C=CCCCCC[N@H+](C)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000840005002 630628085 /nfs/dbraw/zinc/62/80/85/630628085.db2.gz BIJSCRXDFMEHNL-CABCVRRESA-N 1 1 264.413 2.881 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H](F)C2)c1O ZINC000840107105 630902102 /nfs/dbraw/zinc/90/21/02/630902102.db2.gz VZVWZIGZALJGDV-CYBMUJFWSA-N 1 1 265.328 2.673 20 30 CFEDMO C[C@H]1CC(=NN[C@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000808003857 630939590 /nfs/dbraw/zinc/93/95/90/630939590.db2.gz XFHLXOHLUHGJIC-ZFWWWQNUSA-N 1 1 289.448 2.732 20 30 CFEDMO C[C@H]1CC(=NN[C@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC000808003857 630939592 /nfs/dbraw/zinc/93/95/92/630939592.db2.gz XFHLXOHLUHGJIC-ZFWWWQNUSA-N 1 1 289.448 2.732 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(CCCC2)[C@H]1C(C)C ZINC000837190960 630972586 /nfs/dbraw/zinc/97/25/86/630972586.db2.gz LHZWHPHKXKNTJH-JKSUJKDBSA-N 1 1 288.435 2.511 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(CCCC2)[C@H]1C(C)C ZINC000837190960 630972590 /nfs/dbraw/zinc/97/25/90/630972590.db2.gz LHZWHPHKXKNTJH-JKSUJKDBSA-N 1 1 288.435 2.511 20 30 CFEDMO Cc1cccc(C[NH+]2CCN(C(=O)C#CC(C)(C)C)CC2)c1 ZINC000837315091 630995457 /nfs/dbraw/zinc/99/54/57/630995457.db2.gz ZYHDDTFCHUQUMX-UHFFFAOYSA-N 1 1 298.430 2.689 20 30 CFEDMO C[C@H]1CCN(C(=O)C#CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000837446305 631032644 /nfs/dbraw/zinc/03/26/44/631032644.db2.gz MSFTUUACJSROPA-INIZCTEOSA-N 1 1 296.414 2.523 20 30 CFEDMO C=CCC[C@H]([NH2+]CCS(=O)(=O)C(C)C)c1ccco1 ZINC000808726129 631037113 /nfs/dbraw/zinc/03/71/13/631037113.db2.gz QFTOKXNWIHRFLU-ZDUSSCGKSA-N 1 1 285.409 2.700 20 30 CFEDMO C#CC[N@H+](Cc1cnnn1-c1ccccc1)C1CCCC1 ZINC000808733858 631039857 /nfs/dbraw/zinc/03/98/57/631039857.db2.gz CABCDSIAFCFCHI-UHFFFAOYSA-N 1 1 280.375 2.645 20 30 CFEDMO C#CC[N@@H+](Cc1cnnn1-c1ccccc1)C1CCCC1 ZINC000808733858 631039860 /nfs/dbraw/zinc/03/98/60/631039860.db2.gz CABCDSIAFCFCHI-UHFFFAOYSA-N 1 1 280.375 2.645 20 30 CFEDMO C[C@@]1(C#N)CCC[N@H+](CC[C@H](O)c2ccccc2)C1 ZINC000808746808 631043573 /nfs/dbraw/zinc/04/35/73/631043573.db2.gz WMGHWWRZTAVBFD-HOTGVXAUSA-N 1 1 258.365 2.736 20 30 CFEDMO C[C@@]1(C#N)CCC[N@@H+](CC[C@H](O)c2ccccc2)C1 ZINC000808746808 631043579 /nfs/dbraw/zinc/04/35/79/631043579.db2.gz WMGHWWRZTAVBFD-HOTGVXAUSA-N 1 1 258.365 2.736 20 30 CFEDMO CC[C@@H]1CN(C(=O)C#CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000837535218 631058170 /nfs/dbraw/zinc/05/81/70/631058170.db2.gz ZCPOTAHPVIFSQU-GOSISDBHSA-N 1 1 296.414 2.523 20 30 CFEDMO CC[C@@H]1CN(C(=O)C#CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000837535218 631058174 /nfs/dbraw/zinc/05/81/74/631058174.db2.gz ZCPOTAHPVIFSQU-GOSISDBHSA-N 1 1 296.414 2.523 20 30 CFEDMO C=CCCN(OCc1ccccc1)C(=O)Cn1cc[nH+]c1C ZINC000837568346 631070156 /nfs/dbraw/zinc/07/01/56/631070156.db2.gz UHKWAFIAXNQOQK-UHFFFAOYSA-N 1 1 299.374 2.728 20 30 CFEDMO CC(C)[N@H+]1CCCC[C@@H]1COC(=O)C1(C#N)CC(C)C1 ZINC000837580060 631075369 /nfs/dbraw/zinc/07/53/69/631075369.db2.gz BZWQOOVANCFEKM-NPCAHTBFSA-N 1 1 278.396 2.732 20 30 CFEDMO CC1CC(C#N)(C(=O)OCC[N@@H+](C)Cc2ccccc2)C1 ZINC000837582599 631075860 /nfs/dbraw/zinc/07/58/60/631075860.db2.gz YIOPSNQIOPSXRT-UHFFFAOYSA-N 1 1 286.375 2.601 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)/N=C\c1c(O)cccc1OC ZINC000809144114 631088499 /nfs/dbraw/zinc/08/84/99/631088499.db2.gz DGTTVWHFBKLJOD-MFVBVHDHSA-N 1 1 278.396 2.940 20 30 CFEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)OC[C@@H]1CCCC[N@@H+]1C(C)C ZINC000837677083 631104779 /nfs/dbraw/zinc/10/47/79/631104779.db2.gz PRSQKIIDOASKKP-ARFHVFGLSA-N 1 1 295.423 2.774 20 30 CFEDMO Cc1ccc(C(=O)/C=C/c2c[nH+]c(N(C)C)n2C)s1 ZINC000840715484 631176127 /nfs/dbraw/zinc/17/61/27/631176127.db2.gz QEYBCKTWYDPAQZ-VOTSOKGWSA-N 1 1 275.377 2.752 20 30 CFEDMO Cc1ccc2c(c1)C/C(=C\c1c[nH+]c(N(C)C)n1C)C2=O ZINC000840716833 631176378 /nfs/dbraw/zinc/17/63/78/631176378.db2.gz BPNWAKWQFGLCEB-UKTHLTGXSA-N 1 1 281.359 2.617 20 30 CFEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](O)CC#N ZINC000809571929 631237014 /nfs/dbraw/zinc/23/70/14/631237014.db2.gz FDIQFAJGNDNBEW-ZWNOBZJWSA-N 1 1 252.745 2.607 20 30 CFEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@H](O)CC#N ZINC000809576725 631238736 /nfs/dbraw/zinc/23/87/36/631238736.db2.gz QDBAAXZPDFXZJR-VXGBXAGGSA-N 1 1 281.425 2.842 20 30 CFEDMO Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@H](O)CC#N ZINC000809576725 631238742 /nfs/dbraw/zinc/23/87/42/631238742.db2.gz QDBAAXZPDFXZJR-VXGBXAGGSA-N 1 1 281.425 2.842 20 30 CFEDMO C#Cc1ccc(CNC[C@@H](CC)[NH+]2CCCC2)cc1 ZINC000809605255 631244808 /nfs/dbraw/zinc/24/48/08/631244808.db2.gz FYCACCUKWNFFPC-QGZVFWFLSA-N 1 1 256.393 2.632 20 30 CFEDMO C#Cc1ccc(C[NH2+]Cc2cn3cccc(C)c3n2)cc1 ZINC000809633859 631252766 /nfs/dbraw/zinc/25/27/66/631252766.db2.gz VCQRMENVXKFBHF-UHFFFAOYSA-N 1 1 275.355 2.914 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809655213 631257020 /nfs/dbraw/zinc/25/70/20/631257020.db2.gz DVNJJCDPWSBQLJ-CYBMUJFWSA-N 1 1 282.428 2.976 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000809664687 631259085 /nfs/dbraw/zinc/25/90/85/631259085.db2.gz KZANJLSFLGQXHR-QGZVFWFLSA-N 1 1 257.377 2.795 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2CCC(=O)NC)cc1 ZINC000809713749 631269082 /nfs/dbraw/zinc/26/90/82/631269082.db2.gz LCUROQYSAOTLJS-KRWDZBQOSA-N 1 1 284.403 2.549 20 30 CFEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)nc1 ZINC000809717061 631269886 /nfs/dbraw/zinc/26/98/86/631269886.db2.gz WFSADVAVGKITMA-UHFFFAOYSA-N 1 1 279.387 2.783 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(N(C)C)nc1 ZINC000809717061 631269887 /nfs/dbraw/zinc/26/98/87/631269887.db2.gz WFSADVAVGKITMA-UHFFFAOYSA-N 1 1 279.387 2.783 20 30 CFEDMO C#CCOc1ccc(C[N@H+](C)C2CC(OCC)C2)cc1 ZINC000809773331 631286890 /nfs/dbraw/zinc/28/68/90/631286890.db2.gz BIUMVZWVXRARBV-UHFFFAOYSA-N 1 1 273.376 2.698 20 30 CFEDMO C#Cc1ccc(CN[C@@H](C)C[N@@H+](C)CCCC)cc1 ZINC000809793256 631292685 /nfs/dbraw/zinc/29/26/85/631292685.db2.gz VDHDDZDJZHYTPG-HNNXBMFYSA-N 1 1 258.409 2.878 20 30 CFEDMO C#Cc1ccc(CN[C@@H](C)C[N@H+](C)CCCC)cc1 ZINC000809793256 631292686 /nfs/dbraw/zinc/29/26/86/631292686.db2.gz VDHDDZDJZHYTPG-HNNXBMFYSA-N 1 1 258.409 2.878 20 30 CFEDMO CCCC(=NNCCC[NH+]1CCOCC1)[C@H]1CC1(C)C ZINC000841636050 631439761 /nfs/dbraw/zinc/43/97/61/631439761.db2.gz DZDCUFZFRQXJKJ-CQSZACIVSA-N 1 1 281.444 2.501 20 30 CFEDMO Cc1cc(N(C)C)ccc1C=[NH+]NCCC(F)(F)F ZINC000841637472 631440784 /nfs/dbraw/zinc/44/07/84/631440784.db2.gz WTUMYEOYWALSAB-UHFFFAOYSA-N 1 1 273.302 2.937 20 30 CFEDMO CCCCCC[C@@H]1CCCC1N=NC1=[NH+]CCN1 ZINC000841659063 631446045 /nfs/dbraw/zinc/44/60/45/631446045.db2.gz KWXOCKBFWSEQGS-GFCCVEGCSA-N 1 1 250.390 2.662 20 30 CFEDMO CN(C)c1cc[nH+]c(N[C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000842050791 631513302 /nfs/dbraw/zinc/51/33/02/631513302.db2.gz VOYFODKYBXIFEB-HNNXBMFYSA-N 1 1 293.374 2.904 20 30 CFEDMO C#Cc1ccccc1CC(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000811258934 631541752 /nfs/dbraw/zinc/54/17/52/631541752.db2.gz SSZBBODBIHSAKL-KRWDZBQOSA-N 1 1 285.387 2.628 20 30 CFEDMO CCCCCCCC[N@H+]1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000842164627 631558404 /nfs/dbraw/zinc/55/84/04/631558404.db2.gz YBTSXQXMXSJMCC-JKSUJKDBSA-N 1 1 270.461 2.734 20 30 CFEDMO CCN(C)c1ccc(C=[NH+]OC/C=C/Cl)cn1 ZINC000811669447 631603748 /nfs/dbraw/zinc/60/37/48/631603748.db2.gz PBENYWVUFXVYRO-ZPEYGQBVSA-N 1 1 253.733 2.641 20 30 CFEDMO C#Cc1cccc(NC(=S)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000811706825 631610006 /nfs/dbraw/zinc/61/00/06/631610006.db2.gz XNEBCOUCICVCNG-ZDUSSCGKSA-N 1 1 289.448 2.683 20 30 CFEDMO C=CC[N@H+](CN1CC[C@@H](Cc2ccccc2)C1=O)C(C)C ZINC000811734350 631614077 /nfs/dbraw/zinc/61/40/77/631614077.db2.gz CQMCXHRUFXWZTO-KRWDZBQOSA-N 1 1 286.419 2.932 20 30 CFEDMO C=CC[N@@H+](CN1CC[C@@H](Cc2ccccc2)C1=O)C(C)C ZINC000811734350 631614080 /nfs/dbraw/zinc/61/40/80/631614080.db2.gz CQMCXHRUFXWZTO-KRWDZBQOSA-N 1 1 286.419 2.932 20 30 CFEDMO CCCCCCCC[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000842477942 631641956 /nfs/dbraw/zinc/64/19/56/631641956.db2.gz CMRHKUZZHYSBGV-MRXNPFEDSA-N 1 1 293.459 2.734 20 30 CFEDMO CCCCCCCC[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000842477942 631641964 /nfs/dbraw/zinc/64/19/64/631641964.db2.gz CMRHKUZZHYSBGV-MRXNPFEDSA-N 1 1 293.459 2.734 20 30 CFEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)/C=C/c1ccccc1C#N ZINC000811967764 631646791 /nfs/dbraw/zinc/64/67/91/631646791.db2.gz VMVSBPVXMSSUST-NKSUMMKUSA-N 1 1 299.418 2.808 20 30 CFEDMO C#CCON=Cc1cc(C)n(C[C@H]2CCC[N@@H+]2CC)c1C ZINC000812233225 631672776 /nfs/dbraw/zinc/67/27/76/631672776.db2.gz OOKJVHIDEGTVLB-QGZVFWFLSA-N 1 1 287.407 2.573 20 30 CFEDMO C#CCOCS[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000842617706 631682211 /nfs/dbraw/zinc/68/22/11/631682211.db2.gz JBVSQZVQUKFRPP-MRXNPFEDSA-N 1 1 275.417 2.992 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](CN2CCN(c3ccccc3)C2=O)C1 ZINC000842630054 631685718 /nfs/dbraw/zinc/68/57/18/631685718.db2.gz WJRJVMHCVKSKTD-INIZCTEOSA-N 1 1 297.402 2.621 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](CN2CC(CC)(CC)OC2=O)C1 ZINC000842629443 631685841 /nfs/dbraw/zinc/68/58/41/631685841.db2.gz MZAITKSAYXDFLF-CQSZACIVSA-N 1 1 278.396 2.690 20 30 CFEDMO CC(C)[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@@H]1CCOC1 ZINC000812776662 631770160 /nfs/dbraw/zinc/77/01/60/631770160.db2.gz NEQUUTWFRZGQAV-GOEBONIOSA-N 1 1 288.391 2.977 20 30 CFEDMO CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C[C@@H](C)OC ZINC000812809385 631787870 /nfs/dbraw/zinc/78/78/70/631787870.db2.gz XQIZTBBSJUKABZ-ZIAGYGMSSA-N 1 1 276.380 2.834 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)Cc1cncc(C(F)(F)F)c1 ZINC000812837467 631793972 /nfs/dbraw/zinc/79/39/72/631793972.db2.gz PQVDKLHORATHLW-UHFFFAOYSA-N 1 1 256.271 2.944 20 30 CFEDMO CC[N@H+](CC1(C#N)CC1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850460 631796033 /nfs/dbraw/zinc/79/60/33/631796033.db2.gz SRVWHFMHWJHJSF-ZFWWWQNUSA-N 1 1 258.365 2.734 20 30 CFEDMO CC[N@@H+](CC1(C#N)CC1)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850460 631796038 /nfs/dbraw/zinc/79/60/38/631796038.db2.gz SRVWHFMHWJHJSF-ZFWWWQNUSA-N 1 1 258.365 2.734 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000812883592 631802097 /nfs/dbraw/zinc/80/20/97/631802097.db2.gz QEZPKLCSBRGHLO-UTUOFQBUSA-N 1 1 278.318 2.968 20 30 CFEDMO C#CC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CCCC1 ZINC000155858444 650034899 /nfs/dbraw/zinc/03/48/99/650034899.db2.gz FKZDYQBDZHTFFV-UHFFFAOYSA-N 1 1 295.386 2.765 20 30 CFEDMO C#CC[N@H+](Cc1noc2c1CCCC2)C1CCCC1 ZINC000155880454 650035345 /nfs/dbraw/zinc/03/53/45/650035345.db2.gz JZQZBQMFWDHSOH-UHFFFAOYSA-N 1 1 258.365 2.931 20 30 CFEDMO C#CC[N@@H+](Cc1noc2c1CCCC2)C1CCCC1 ZINC000155880454 650035346 /nfs/dbraw/zinc/03/53/46/650035346.db2.gz JZQZBQMFWDHSOH-UHFFFAOYSA-N 1 1 258.365 2.931 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(CC)nn(C)c2CC)C1 ZINC000843423717 631951783 /nfs/dbraw/zinc/95/17/83/631951783.db2.gz IUKPWZONLYCDRR-CQSZACIVSA-N 1 1 273.424 2.780 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc3ccc(C)cn23)C1 ZINC000843423337 631952110 /nfs/dbraw/zinc/95/21/10/631952110.db2.gz CISJJGVUCRGFEV-OAHLLOKOSA-N 1 1 267.376 2.878 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc3nc(C)cc(C)n23)C1 ZINC000843423460 631952194 /nfs/dbraw/zinc/95/21/94/631952194.db2.gz DWYCADYWHSUGFI-OAHLLOKOSA-N 1 1 282.391 2.581 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2cccc3nccn32)C1 ZINC000843423223 631952223 /nfs/dbraw/zinc/95/22/23/631952223.db2.gz AKPYVZOXTHAEGE-AWEZNQCLSA-N 1 1 253.349 2.570 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000843423259 631952234 /nfs/dbraw/zinc/95/22/34/631952234.db2.gz BEUCPBSEJYXTAG-MRXNPFEDSA-N 1 1 287.403 2.947 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccncc3)nc2C)C1 ZINC000843423795 631953375 /nfs/dbraw/zinc/95/33/75/631953375.db2.gz RFASYBZTJCGBLH-MRXNPFEDSA-N 1 1 294.402 2.811 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cn(-c3ccncc3)nc2C)C1 ZINC000843423795 631953376 /nfs/dbraw/zinc/95/33/76/631953376.db2.gz RFASYBZTJCGBLH-MRXNPFEDSA-N 1 1 294.402 2.811 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(C(=O)OCC)c(C)[nH]2)C1 ZINC000843424392 631953780 /nfs/dbraw/zinc/95/37/80/631953780.db2.gz ZMUGGMNDAQYUNG-CQSZACIVSA-N 1 1 288.391 2.735 20 30 CFEDMO C#CC1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000843427271 631955264 /nfs/dbraw/zinc/95/52/64/631955264.db2.gz XPDOHOJKWKSKCS-UHFFFAOYSA-N 1 1 294.192 3.000 20 30 CFEDMO C#CC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000843427215 631955328 /nfs/dbraw/zinc/95/53/28/631955328.db2.gz VRUCSURQQFLWPC-UHFFFAOYSA-N 1 1 268.154 2.887 20 30 CFEDMO C#C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC000813778611 631958584 /nfs/dbraw/zinc/95/85/84/631958584.db2.gz ARDHYPSRWZRVID-OAHLLOKOSA-N 1 1 278.440 2.805 20 30 CFEDMO CCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000814144862 632018308 /nfs/dbraw/zinc/01/83/08/632018308.db2.gz JLDGZLVJRKELKZ-LSDHHAIUSA-N 1 1 266.429 2.900 20 30 CFEDMO C[N@@H+](CCCCNc1snc(Cl)c1C#N)C1CC1 ZINC000840317006 632053158 /nfs/dbraw/zinc/05/31/58/632053158.db2.gz XHCIYTDCYLNGIR-UHFFFAOYSA-N 1 1 284.816 2.954 20 30 CFEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CCC#N)CC(C)C ZINC000843777005 632053873 /nfs/dbraw/zinc/05/38/73/632053873.db2.gz YKONDHQLIDMTJK-AWEZNQCLSA-N 1 1 290.411 2.795 20 30 CFEDMO CCc1ccc(C#CC(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000814507254 632082277 /nfs/dbraw/zinc/08/22/77/632082277.db2.gz QRBUAEVNHUCPCH-MRXNPFEDSA-N 1 1 298.430 2.591 20 30 CFEDMO C#CC[C@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000843998818 632091757 /nfs/dbraw/zinc/09/17/57/632091757.db2.gz CNKNTLFZWWIOSF-GJZGRUSLSA-N 1 1 287.407 2.659 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000814646072 632102747 /nfs/dbraw/zinc/10/27/47/632102747.db2.gz APDDCBDWKISAOD-UHFFFAOYSA-N 1 1 265.784 2.765 20 30 CFEDMO Cc1cc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)on1 ZINC000105455258 632135609 /nfs/dbraw/zinc/13/56/09/632135609.db2.gz CQTDWQKYYKBOST-GFCCVEGCSA-N 1 1 271.320 2.564 20 30 CFEDMO N#C[C@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000814884253 632148438 /nfs/dbraw/zinc/14/84/38/632148438.db2.gz FRVBUOFQOKCPHF-QMMMGPOBSA-N 1 1 267.130 2.563 20 30 CFEDMO COc1cccc(O)c1/C=N/CCC[N@@H+](C)CC(C)C ZINC000844271851 632151031 /nfs/dbraw/zinc/15/10/31/632151031.db2.gz SHBQOKLJYGTPNW-GZTJUZNOSA-N 1 1 278.396 2.798 20 30 CFEDMO CC(=[NH+]N[C@H]1CCOC(C)(C)C1)c1cc(N)ccc1F ZINC000814909442 632160079 /nfs/dbraw/zinc/16/00/79/632160079.db2.gz YBIUJPKBWNPLCC-LBPRGKRZSA-N 1 1 279.359 2.679 20 30 CFEDMO C=CCCCCC[N@H+](C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844298269 632160614 /nfs/dbraw/zinc/16/06/14/632160614.db2.gz JTAMTQABFBFJQI-CQSZACIVSA-N 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C[C@@H](C#N)C[N@@H+](C)C[C@H](O)c1cccc2ccccc21 ZINC000815034040 632189236 /nfs/dbraw/zinc/18/92/36/632189236.db2.gz BIYFNTLPVZPMMV-GUYCJALGSA-N 1 1 268.360 2.965 20 30 CFEDMO C#CC[N@H+](C[C@H](O)Cc1ccc(F)cc1)C1CCCC1 ZINC000815061563 632193112 /nfs/dbraw/zinc/19/31/12/632193112.db2.gz ZITRETKVUMMEFD-QGZVFWFLSA-N 1 1 275.367 2.607 20 30 CFEDMO C#CCNC(=O)CC[N@H+]1CCC[C@H]1CCC1CCCC1 ZINC000815062387 632193836 /nfs/dbraw/zinc/19/38/36/632193836.db2.gz RSRSKODGBXWVGA-INIZCTEOSA-N 1 1 276.424 2.561 20 30 CFEDMO C=CCOCC[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000815066980 632194163 /nfs/dbraw/zinc/19/41/63/632194163.db2.gz MQJAQWWGFZGXEL-DLBZAZTESA-N 1 1 275.392 2.777 20 30 CFEDMO C=CCOCC[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000815066981 632194309 /nfs/dbraw/zinc/19/43/09/632194309.db2.gz MQJAQWWGFZGXEL-IAGOWNOFSA-N 1 1 275.392 2.777 20 30 CFEDMO COc1ccc(N(C)CC[N@@H+](C)CCCCC#N)cc1 ZINC000844399732 632194580 /nfs/dbraw/zinc/19/45/80/632194580.db2.gz NGMYSGZZIWFCHG-UHFFFAOYSA-N 1 1 275.396 2.757 20 30 CFEDMO N#C[C@H]1CC[C@H]([NH+]2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC000815093318 632200637 /nfs/dbraw/zinc/20/06/37/632200637.db2.gz HNLAZWALQWGHGC-ONGXEEELSA-N 1 1 274.286 2.522 20 30 CFEDMO C=C(Cl)CN1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000844424896 632206042 /nfs/dbraw/zinc/20/60/42/632206042.db2.gz KYTYYYYZVYEDCX-HNNXBMFYSA-N 1 1 264.800 2.598 20 30 CFEDMO C=C(Cl)CN1CC[N@H+](C)C[C@@H]1Cc1ccccc1 ZINC000844424896 632206046 /nfs/dbraw/zinc/20/60/46/632206046.db2.gz KYTYYYYZVYEDCX-HNNXBMFYSA-N 1 1 264.800 2.598 20 30 CFEDMO CCCC[N@@H+](CC(=O)NCCC#N)[C@@H]1CCC[C@@H](C)C1 ZINC000815197388 632226737 /nfs/dbraw/zinc/22/67/37/632226737.db2.gz PGWHCDYHEHVCCK-HUUCEWRRSA-N 1 1 279.428 2.697 20 30 CFEDMO C=C(Br)C[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000815231738 632235741 /nfs/dbraw/zinc/23/57/41/632235741.db2.gz JADPHJKUSHBIEE-GFCCVEGCSA-N 1 1 276.218 2.626 20 30 CFEDMO C=C(Br)C[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000815231738 632235743 /nfs/dbraw/zinc/23/57/43/632235743.db2.gz JADPHJKUSHBIEE-GFCCVEGCSA-N 1 1 276.218 2.626 20 30 CFEDMO C=CCN1CCN(C[N@H+]2CCc3ccccc3[C@@H](C)C2)C1=O ZINC000844742539 632294235 /nfs/dbraw/zinc/29/42/35/632294235.db2.gz PBJCLYHJXRSUJS-HNNXBMFYSA-N 1 1 299.418 2.529 20 30 CFEDMO CCCC(N)=[NH+]OCCOc1ccc(OCC)cc1 ZINC000105605198 632300589 /nfs/dbraw/zinc/30/05/89/632300589.db2.gz MHXVQFCMTMOAEO-UHFFFAOYSA-N 1 1 266.341 2.553 20 30 CFEDMO CCc1ccc(C#CC(=O)Nc2cc[nH+]c(N(C)C)c2)cc1 ZINC000815752544 632317578 /nfs/dbraw/zinc/31/75/78/632317578.db2.gz WNEGFYPBHKJNNQ-UHFFFAOYSA-N 1 1 293.370 2.700 20 30 CFEDMO C=CCC(F)(F)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000815847343 632326089 /nfs/dbraw/zinc/32/60/89/632326089.db2.gz LXGXRABZHVIQKU-ZDUSSCGKSA-N 1 1 288.382 2.682 20 30 CFEDMO C#CCCCCC(=O)N1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000844923372 632338017 /nfs/dbraw/zinc/33/80/17/632338017.db2.gz HYWBSIFWRGFYKO-GOSISDBHSA-N 1 1 298.430 2.565 20 30 CFEDMO C#CCCCCC(=O)N1CC[N@H+](C)C[C@H]1Cc1ccccc1 ZINC000844923372 632338020 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C#CCOc1ccc(C[N@H+]2C[C@@H](CC)OC[C@H]2C)cc1 ZINC000846044528 632623835 /nfs/dbraw/zinc/62/38/35/632623835.db2.gz RNJCDUHXBBBLNE-GDBMZVCRSA-N 1 1 273.376 2.698 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2C[C@@H](CC)OC[C@H]2C)cc1 ZINC000846044528 632623839 /nfs/dbraw/zinc/62/38/39/632623839.db2.gz RNJCDUHXBBBLNE-GDBMZVCRSA-N 1 1 273.376 2.698 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)o1 ZINC000846109182 632633829 /nfs/dbraw/zinc/63/38/29/632633829.db2.gz SVTLRSFPFKOPRH-LBPRGKRZSA-N 1 1 252.264 2.772 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846108477 632633996 /nfs/dbraw/zinc/63/39/96/632633996.db2.gz AFPSMHVQFAZLMG-BETUJISGSA-N 1 1 265.303 2.948 20 30 CFEDMO C=CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccncc1 ZINC000817895275 632720526 /nfs/dbraw/zinc/72/05/26/632720526.db2.gz WQMPMDZHYDYPOW-VFSICIBPSA-N 1 1 257.381 2.571 20 30 CFEDMO C#CCOc1ccc([C@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000817966515 632765024 /nfs/dbraw/zinc/76/50/24/632765024.db2.gz 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N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@](O)(c3ccccc3)C2)C1 ZINC000859587896 636611608 /nfs/dbraw/zinc/61/16/08/636611608.db2.gz BZKFODJSQOOLDH-HYVNUMGLSA-N 1 1 270.376 2.662 20 30 CFEDMO COc1cccc2c1C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000859937738 636747385 /nfs/dbraw/zinc/74/73/85/636747385.db2.gz GOABSOFNCHCDBR-KRWDZBQOSA-N 1 1 294.354 2.616 20 30 CFEDMO COc1cccc2c1C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C2 ZINC000859937738 636747390 /nfs/dbraw/zinc/74/73/90/636747390.db2.gz GOABSOFNCHCDBR-KRWDZBQOSA-N 1 1 294.354 2.616 20 30 CFEDMO C[N@H+]1CC[C@H](Nc2cccc(OCC#N)c2)CC1(C)C ZINC000862302186 637318113 /nfs/dbraw/zinc/31/81/13/637318113.db2.gz OPSLLFIFZDBNRO-AWEZNQCLSA-N 1 1 273.380 2.874 20 30 CFEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@@]1(C)CCCS1 ZINC000862402113 637360214 /nfs/dbraw/zinc/36/02/14/637360214.db2.gz ZBVCYKMFESKLSA-JKSUJKDBSA-N 1 1 290.432 2.809 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1ccc2cc[nH]c2c1 ZINC000862418372 637371393 /nfs/dbraw/zinc/37/13/93/637371393.db2.gz 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ZINC000862476495 637395370 /nfs/dbraw/zinc/39/53/70/637395370.db2.gz BEKAYIDJRPXIQM-UHFFFAOYSA-N 1 1 287.407 2.505 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCc2c(O)cccc2C1 ZINC000862529866 637409154 /nfs/dbraw/zinc/40/91/54/637409154.db2.gz QLGHGUKBYDVYBA-UHFFFAOYSA-N 1 1 293.366 2.963 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CCc2c(O)cccc2C1 ZINC000862529866 637409158 /nfs/dbraw/zinc/40/91/58/637409158.db2.gz QLGHGUKBYDVYBA-UHFFFAOYSA-N 1 1 293.366 2.963 20 30 CFEDMO C#CC[C@H](COC)NC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000862548623 637420448 /nfs/dbraw/zinc/42/04/48/637420448.db2.gz JLPBDJHXHPFQAL-CGTJXYLNSA-N 1 1 292.467 2.657 20 30 CFEDMO CC[C@H](C)N[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863107157 637556361 /nfs/dbraw/zinc/55/63/61/637556361.db2.gz GAUFXSXVPDPCHL-VIFPVBQESA-N 1 1 255.312 2.753 20 30 CFEDMO CC(CCCCNC(=O)OC(C)(C)C)=[NH+]n1cccn1 ZINC000863163636 637576830 /nfs/dbraw/zinc/57/68/30/637576830.db2.gz KZARPNYBECUXLJ-UHFFFAOYSA-N 1 1 280.372 2.802 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](CN2C[C@H](c3ccccc3)OC2=O)C1 ZINC000863268754 637610635 /nfs/dbraw/zinc/61/06/35/637610635.db2.gz ISWLPEUWRRKTFK-DOTOQJQBSA-N 1 1 298.386 2.873 20 30 CFEDMO N#Cc1ccc(CCO[NH+]=C(N)CCC(F)(F)F)cc1 ZINC000863491468 637677700 /nfs/dbraw/zinc/67/77/00/637677700.db2.gz PIZAETCVPWXHLW-UHFFFAOYSA-N 1 1 285.269 2.942 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)OC(C)(C)C2)cc1 ZINC000119516362 637683869 /nfs/dbraw/zinc/68/38/69/637683869.db2.gz XWSLWEIXHDBWDX-KBPBESRZSA-N 1 1 288.391 2.977 20 30 CFEDMO N#CC1(C[NH2+]C[C@H](O)c2ccccc2F)CCCCC1 ZINC000863576774 637700368 /nfs/dbraw/zinc/70/03/68/637700368.db2.gz RQIRZBJDVZHWNG-HNNXBMFYSA-N 1 1 276.355 2.923 20 30 CFEDMO C=CCCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000119732418 637821800 /nfs/dbraw/zinc/82/18/00/637821800.db2.gz RWGJUXSEHBIGLX-UHFFFAOYSA-N 1 1 274.324 2.800 20 30 CFEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(CC)s2)C1 ZINC001016201907 651227873 /nfs/dbraw/zinc/22/78/73/651227873.db2.gz JAAQTYGGLHZHJB-GFCCVEGCSA-N 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BJNXUIHAGZBKJU-UHFFFAOYSA-N 1 1 251.333 2.941 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1ccc(C#N)nc1 ZINC000866193692 638767418 /nfs/dbraw/zinc/76/74/18/638767418.db2.gz DXDIFHHTQGHKSR-MRXNPFEDSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1ccc(C#N)nc1 ZINC000866193692 638767422 /nfs/dbraw/zinc/76/74/22/638767422.db2.gz DXDIFHHTQGHKSR-MRXNPFEDSA-N 1 1 264.332 2.552 20 30 CFEDMO Cc1ccc(C#N)c(NC[C@@H]2c3ccccc3C[N@H+]2C)n1 ZINC000866195585 638767936 /nfs/dbraw/zinc/76/79/36/638767936.db2.gz XZXNLUJLRWVDOL-MRXNPFEDSA-N 1 1 278.359 2.860 20 30 CFEDMO Cc1ccc(C#N)c(NC[C@@H]2c3ccccc3C[N@@H+]2C)n1 ZINC000866195585 638767939 /nfs/dbraw/zinc/76/79/39/638767939.db2.gz XZXNLUJLRWVDOL-MRXNPFEDSA-N 1 1 278.359 2.860 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3cccc(Cl)c3C#N)CC[C@H]21 ZINC000866205141 638769961 /nfs/dbraw/zinc/76/99/61/638769961.db2.gz AVHNBAZDVYVBHT-BXUZGUMPSA-N 1 1 275.783 2.742 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3cc(Cl)ccc3C#N)CC[C@H]21 ZINC000866208214 638770977 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C=C(Br)C[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC000191656495 650515279 /nfs/dbraw/zinc/51/52/79/650515279.db2.gz ZHFRCAGTAVKRLR-GFCCVEGCSA-N 1 1 276.218 2.768 20 30 CFEDMO C#CCCCC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000191910976 650528241 /nfs/dbraw/zinc/52/82/41/650528241.db2.gz ZPONWHHMGNTGFR-UHFFFAOYSA-N 1 1 264.413 2.561 20 30 CFEDMO C[C@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1cccc(C#N)c1 ZINC000870788817 641072365 /nfs/dbraw/zinc/07/23/65/641072365.db2.gz PGKAQVNCMNLAOU-CZUORRHYSA-N 1 1 286.375 2.978 20 30 CFEDMO C=CCCCCC[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000193331203 650644013 /nfs/dbraw/zinc/64/40/13/650644013.db2.gz IWERHDCEYGWVJN-AWEZNQCLSA-N 1 1 253.386 2.818 20 30 CFEDMO Cc1ccc(SCCC[NH+]2CCOCC2)c(C#N)c1 ZINC000871686978 641404075 /nfs/dbraw/zinc/40/40/75/641404075.db2.gz MJJOPGBVSKSSHY-UHFFFAOYSA-N 1 1 276.405 2.681 20 30 CFEDMO Cc1[nH+]cc(CNc2cc(C#N)c(F)cc2C)n1C ZINC000871868439 641490436 /nfs/dbraw/zinc/49/04/36/641490436.db2.gz UAXSLKIOFDPTKY-UHFFFAOYSA-N 1 1 258.300 2.660 20 30 CFEDMO 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RDUMEPHCFPKDPV-OAHLLOKOSA-N 1 1 275.421 2.974 20 30 CFEDMO Fc1cccc(N=NC2CCC[N@@H+]3CCSC[C@@H]23)c1F ZINC000872353970 641763463 /nfs/dbraw/zinc/76/34/63/641763463.db2.gz RUOSAQKUYDZJJA-ZDUSSCGKSA-N 1 1 297.374 2.944 20 30 CFEDMO Fc1cccc(N=NC2CCC[N@H+]3CCSC[C@@H]23)c1F ZINC000872353970 641763475 /nfs/dbraw/zinc/76/34/75/641763475.db2.gz RUOSAQKUYDZJJA-ZDUSSCGKSA-N 1 1 297.374 2.944 20 30 CFEDMO CCN(C)c1ccc(C=[NH+]NC[C@H]2CCCC2(F)F)cn1 ZINC000872404748 641794400 /nfs/dbraw/zinc/79/44/00/641794400.db2.gz DEMXNXMOQQDDOH-CYBMUJFWSA-N 1 1 296.365 2.897 20 30 CFEDMO C[C@H]1C[N@@H+](C2CC2)CC1N=Nc1nc2ccncc2s1 ZINC000872412483 641800034 /nfs/dbraw/zinc/80/00/34/641800034.db2.gz HOSYWHLHSHQTQU-VIFPVBQESA-N 1 1 287.392 2.573 20 30 CFEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1nc2ccncc2s1 ZINC000872412483 641800040 /nfs/dbraw/zinc/80/00/40/641800040.db2.gz HOSYWHLHSHQTQU-VIFPVBQESA-N 1 1 287.392 2.573 20 30 CFEDMO C=CCCC[N@H+](C)CN1CCC2(CCCC2)C1=O ZINC000872580416 641864954 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ZINC000092541563 650921847 /nfs/dbraw/zinc/92/18/47/650921847.db2.gz SDJLISQTMCYSJK-UHFFFAOYSA-N 1 1 256.324 2.800 20 30 CFEDMO C#CC[N@H+](Cc1ccn(C)c1)Cc1ccc(F)cc1 ZINC000092541563 650921848 /nfs/dbraw/zinc/92/18/48/650921848.db2.gz SDJLISQTMCYSJK-UHFFFAOYSA-N 1 1 256.324 2.800 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC000879920214 644464100 /nfs/dbraw/zinc/46/41/00/644464100.db2.gz XCXITMIIEZCZHT-XJKSGUPXSA-N 1 1 277.412 2.650 20 30 CFEDMO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879920214 644464106 /nfs/dbraw/zinc/46/41/06/644464106.db2.gz XCXITMIIEZCZHT-XJKSGUPXSA-N 1 1 277.412 2.650 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC000879920214 644464112 /nfs/dbraw/zinc/46/41/12/644464112.db2.gz XCXITMIIEZCZHT-XJKSGUPXSA-N 1 1 277.412 2.650 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879963929 644477622 /nfs/dbraw/zinc/47/76/22/644477622.db2.gz RCNBBMXVBDDWLF-OAHLLOKOSA-N 1 1 288.391 2.550 20 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/nfs/dbraw/zinc/64/44/88/644644488.db2.gz TUJSVWNKENOXBX-LLVKDONJSA-N 1 1 251.292 2.996 20 30 CFEDMO N#Cc1cccc(OCC[N@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000880316119 644649435 /nfs/dbraw/zinc/64/94/35/644649435.db2.gz CWBQHRAZNWVXEB-CQSZACIVSA-N 1 1 299.399 2.883 20 30 CFEDMO COC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000880351318 644663509 /nfs/dbraw/zinc/66/35/09/644663509.db2.gz QPIGQBCTNTUXQZ-BLLLJJGKSA-N 1 1 284.359 2.524 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@]2(C)c2ccccc2)C1=O ZINC000880371911 644672968 /nfs/dbraw/zinc/67/29/68/644672968.db2.gz PUKNNEMAPFKVOL-AEFFLSMTSA-N 1 1 284.403 2.785 20 30 CFEDMO CC(C)(C)OCCCN1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000880415440 644698071 /nfs/dbraw/zinc/69/80/71/644698071.db2.gz NMSQVPGVYMOYHX-CVEARBPZSA-N 1 1 293.455 2.501 20 30 CFEDMO CC(C)(C)OCCCN1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000880415441 644698141 /nfs/dbraw/zinc/69/81/41/644698141.db2.gz NMSQVPGVYMOYHX-HOTGVXAUSA-N 1 1 293.455 2.501 20 30 CFEDMO C#CCC1(O)CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000880478268 644729897 /nfs/dbraw/zinc/72/98/97/644729897.db2.gz YSYRYDXAZQXIKQ-UHFFFAOYSA-N 1 1 296.370 2.692 20 30 CFEDMO Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)O[NH+]=C(N)C(C)C ZINC000128456266 644735467 /nfs/dbraw/zinc/73/54/67/644735467.db2.gz KMIUFDKPWQVSKJ-QWHCGFSZSA-N 1 1 291.395 2.506 20 30 CFEDMO CC(C)C(N)=[NH+]O[C@@H](C)c1nc(-c2cccs2)no1 ZINC000128464105 644737020 /nfs/dbraw/zinc/73/70/20/644737020.db2.gz LLQSCQHTNGFVFM-QMMMGPOBSA-N 1 1 280.353 2.804 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCOCC2CC2)cc1 ZINC000093818536 650947119 /nfs/dbraw/zinc/94/71/19/650947119.db2.gz IHKWDSWFVHGRQA-AWEZNQCLSA-N 1 1 288.391 2.836 20 30 CFEDMO C=C(Cl)C[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000880598514 644783862 /nfs/dbraw/zinc/78/38/62/644783862.db2.gz MYJCXJLQYTUGHH-RYUDHWBXSA-N 1 1 293.716 2.863 20 30 CFEDMO C=CC(C)(C)CC(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC000888832335 644815602 /nfs/dbraw/zinc/81/56/02/644815602.db2.gz AIWWPDYUJCUSPO-UHFFFAOYSA-N 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ZINC000883131302 645618018 /nfs/dbraw/zinc/61/80/18/645618018.db2.gz VJCBWOFXPKLFER-UHFFFAOYSA-N 1 1 274.339 2.617 20 30 CFEDMO C#CC[N@@H+](C)CCCNCc1cc2cc(F)ccc2o1 ZINC000883131302 645618021 /nfs/dbraw/zinc/61/80/21/645618021.db2.gz VJCBWOFXPKLFER-UHFFFAOYSA-N 1 1 274.339 2.617 20 30 CFEDMO C=CCC[C@H]([NH2+]CC(C)(C)CN(C)C)[C@H]1CCCO1 ZINC000883163825 645633694 /nfs/dbraw/zinc/63/36/94/645633694.db2.gz MHKZQVQQEKQUPY-LSDHHAIUSA-N 1 1 268.445 2.678 20 30 CFEDMO CCN1CCCC[C@H]1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000304759701 651033003 /nfs/dbraw/zinc/03/30/03/651033003.db2.gz RNDXGLKZGNAZCU-HNNXBMFYSA-N 1 1 274.412 2.596 20 30 CFEDMO C=CCC[C@@H](COc1ccccc1)[NH2+]Cc1ncccn1 ZINC000883235802 645685140 /nfs/dbraw/zinc/68/51/40/645685140.db2.gz LDGHUKWKEKDUKW-HNNXBMFYSA-N 1 1 283.375 2.980 20 30 CFEDMO C[N@@H+](CCc1ccc(C#N)cc1)C1(CN)CCCCC1 ZINC000883455096 645841026 /nfs/dbraw/zinc/84/10/26/645841026.db2.gz SUFAIHPIBYMPPU-UHFFFAOYSA-N 1 1 271.408 2.694 20 30 CFEDMO CN(CCc1ccc(C#N)cc1)C1(C[NH3+])CCCCC1 ZINC000883455096 645841032 /nfs/dbraw/zinc/84/10/32/645841032.db2.gz SUFAIHPIBYMPPU-UHFFFAOYSA-N 1 1 271.408 2.694 20 30 CFEDMO CC1CC[NH+](Cc2cn([C@@H](C#N)c3ccccc3)nn2)CC1 ZINC000883993811 646081653 /nfs/dbraw/zinc/08/16/53/646081653.db2.gz YRUZUUDVVFHLAC-KRWDZBQOSA-N 1 1 295.390 2.623 20 30 CFEDMO CCc1cccc(CC)c1NC(=O)CO[NH+]=C(N)C(C)C ZINC000133651637 646202452 /nfs/dbraw/zinc/20/24/52/646202452.db2.gz OXUQUZMLIUJWDB-UHFFFAOYSA-N 1 1 291.395 2.695 20 30 CFEDMO Cc1cc(OC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1C#N ZINC000890232477 646443436 /nfs/dbraw/zinc/44/34/36/646443436.db2.gz PBFJTUJRLWPBHJ-STQMWFEESA-N 1 1 272.348 2.502 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](Nc2ncc(C#N)c3ccsc32)C1 ZINC000884610278 646485296 /nfs/dbraw/zinc/48/52/96/646485296.db2.gz ICOAXZRWZYQFKB-CYBMUJFWSA-N 1 1 296.399 2.677 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H](Nc2ncc(C#N)c3ccsc32)C1 ZINC000884610278 646485299 /nfs/dbraw/zinc/48/52/99/646485299.db2.gz ICOAXZRWZYQFKB-CYBMUJFWSA-N 1 1 296.399 2.677 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H](Nc2ncc(C(F)(F)F)s2)C1 ZINC000884611155 646486631 /nfs/dbraw/zinc/48/66/31/646486631.db2.gz FHZMHSMCSKOOEI-SECBINFHSA-N 1 1 289.326 2.671 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](Nc2ncc(C(F)(F)F)s2)C1 ZINC000884611155 646486636 /nfs/dbraw/zinc/48/66/36/646486636.db2.gz FHZMHSMCSKOOEI-SECBINFHSA-N 1 1 289.326 2.671 20 30 CFEDMO CC[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000885942617 646777787 /nfs/dbraw/zinc/77/77/87/646777787.db2.gz QCYBUPRPVZWABW-KBPBESRZSA-N 1 1 250.386 2.553 20 30 CFEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1C[C@@]12CCOC2 ZINC000886016482 646817995 /nfs/dbraw/zinc/81/79/95/646817995.db2.gz FZQKNYKBQMNXGR-DZGCQCFKSA-N 1 1 250.386 2.675 20 30 CFEDMO C[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@H]1C ZINC000886018552 646821497 /nfs/dbraw/zinc/82/14/97/646821497.db2.gz CCBRSGMBNZIHBF-HZSPNIEDSA-N 1 1 250.386 2.552 20 30 CFEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886027077 646827687 /nfs/dbraw/zinc/82/76/87/646827687.db2.gz 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C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3ncccc3c2)[C@H]1C ZINC001088834757 778601993 /nfs/dbraw/zinc/60/19/93/778601993.db2.gz LISBXYDKTVEJDO-CJNGLKHVSA-N 1 1 295.386 2.613 20 30 CFEDMO C=C(Br)CNc1[nH+]c2ccccc2n1C ZINC000160548521 778608389 /nfs/dbraw/zinc/60/83/89/778608389.db2.gz FAQFJNRMJSITKH-UHFFFAOYSA-N 1 1 266.142 2.894 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@@H]2CN(C(=O)CCCC)C[C@]2(C)C1 ZINC001101129517 778617329 /nfs/dbraw/zinc/61/73/29/778617329.db2.gz HPGQDIVZZVRAKQ-ZBFHGGJFSA-N 1 1 264.413 2.533 20 30 CFEDMO C[C@@H](C#C[Si](C)(C)C)OC[C@H]1CCCC[N@H+]1C ZINC001224706996 778632603 /nfs/dbraw/zinc/63/26/03/778632603.db2.gz NVUZNIDKMGZCJY-UONOGXRCSA-N 1 1 253.462 2.757 20 30 CFEDMO C=CCC[N@@H+]1C[C@@H]2CN(C(=O)/C(C)=C/CC)C[C@]2(C)C1 ZINC001101154856 778666390 /nfs/dbraw/zinc/66/63/90/778666390.db2.gz APIMSYYWERRGPI-VIYXCCSCSA-N 1 1 276.424 2.699 20 30 CFEDMO C#Cc1cccc(C[N@H+]2CCc3cc(N)ccc3C2)c1 ZINC001236106368 778696503 /nfs/dbraw/zinc/69/65/03/778696503.db2.gz SZKHWOACXQUGON-UHFFFAOYSA-N 1 1 262.356 2.808 20 30 CFEDMO N#Cc1ccc(CC[N@@H+]2CCNC[C@H]2c2cccs2)cc1 ZINC001236114571 778699405 /nfs/dbraw/zinc/69/94/05/778699405.db2.gz NOBPFQIILUKSTH-INIZCTEOSA-N 1 1 297.427 2.809 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCNC[C@H]2c2cccs2)cc1 ZINC001236114571 778699408 /nfs/dbraw/zinc/69/94/08/778699408.db2.gz NOBPFQIILUKSTH-INIZCTEOSA-N 1 1 297.427 2.809 20 30 CFEDMO N#Cc1ccc(CC[N@@H+]2CCNC[C@@H]2c2cccs2)cc1 ZINC001236114572 778699421 /nfs/dbraw/zinc/69/94/21/778699421.db2.gz NOBPFQIILUKSTH-MRXNPFEDSA-N 1 1 297.427 2.809 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCNC[C@@H]2c2cccs2)cc1 ZINC001236114572 778699422 /nfs/dbraw/zinc/69/94/22/778699422.db2.gz NOBPFQIILUKSTH-MRXNPFEDSA-N 1 1 297.427 2.809 20 30 CFEDMO CCCCCCCC[N@H+]1CCC[C@H]([C@@H](N)C(=O)OC)C1 ZINC001236275305 778758898 /nfs/dbraw/zinc/75/88/98/778758898.db2.gz QOHTULJXHUQBNE-LSDHHAIUSA-N 1 1 284.444 2.559 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCc3c(N)cccc3C2)cc1 ZINC001236363149 778792858 /nfs/dbraw/zinc/79/28/58/778792858.db2.gz 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C=C(C)CC[NH+]1CC(NC(=O)c2ccc(Cl)cc2F)C1 ZINC001030634127 778945931 /nfs/dbraw/zinc/94/59/31/778945931.db2.gz GLQYIIDGCBPCIS-UHFFFAOYSA-N 1 1 296.773 2.859 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cncc(Cl)c2)[C@H]1C ZINC001088920774 778948662 /nfs/dbraw/zinc/94/86/62/778948662.db2.gz XIQPNZSQNZNPNF-RISCZKNCSA-N 1 1 293.798 2.504 20 30 CFEDMO N#C[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)C1 ZINC001236833966 778959506 /nfs/dbraw/zinc/95/95/06/778959506.db2.gz RJSRDRLHMXEKJL-LBPRGKRZSA-N 1 1 252.317 2.891 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2Cl)[C@H]1C ZINC001088998078 778972177 /nfs/dbraw/zinc/97/21/77/778972177.db2.gz ZYQYDJKNPKVUHT-DOMZBBRYSA-N 1 1 290.794 2.556 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2F)[C@H]1C ZINC001089017111 778974001 /nfs/dbraw/zinc/97/40/01/778974001.db2.gz NZIQYBYAXFIBGC-CJNGLKHVSA-N 1 1 290.382 2.523 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)Cc2sc(C)cc2C)[C@H]1C ZINC001089011253 778974202 /nfs/dbraw/zinc/97/42/02/778974202.db2.gz REYOSPWAACUYFB-KGLIPLIRSA-N 1 1 292.448 2.672 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1C ZINC001089031390 778979283 /nfs/dbraw/zinc/97/92/83/778979283.db2.gz GPFXLGOYTDHAII-DYVFJYSZSA-N 1 1 284.403 2.554 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C)c2ccccc2C)[C@H]1C ZINC001089055362 778982927 /nfs/dbraw/zinc/98/29/27/778982927.db2.gz HGXYXYUCTGUEGA-NUJGCVRESA-N 1 1 298.430 2.701 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H]1C ZINC001089065551 778984460 /nfs/dbraw/zinc/98/44/60/778984460.db2.gz POXNBGLWSAEBKT-HIFRSBDPSA-N 1 1 278.440 2.968 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2coc3ccccc23)[C@H]1C ZINC001089075771 778990269 /nfs/dbraw/zinc/99/02/69/778990269.db2.gz SKYROWXPMSCZPE-CJNGLKHVSA-N 1 1 296.370 2.649 20 30 CFEDMO C[C@H](C#N)C(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccccc1 ZINC001089140164 779013889 /nfs/dbraw/zinc/01/38/89/779013889.db2.gz XNNVNBUWGWQISW-WBVHZDCISA-N 1 1 299.418 2.659 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC(=O)[C@@H](C)CC1 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N#CCC1CC[NH+](Cc2c[nH]c(Br)c2)CC1 ZINC001233437446 779041969 /nfs/dbraw/zinc/04/19/69/779041969.db2.gz ZUZGIKAQVPGVQU-UHFFFAOYSA-N 1 1 282.185 2.903 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CC(C)C)CCC[C@H]12 ZINC000992237889 779054878 /nfs/dbraw/zinc/05/48/78/779054878.db2.gz BGFSEAQCPXRSIT-XLMAVXFVSA-N 1 1 290.451 2.968 20 30 CFEDMO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]3C[C@@]32C(=O)N(C)C)CC1 ZINC001278072784 779059746 /nfs/dbraw/zinc/05/97/46/779059746.db2.gz KATQZWTYWAQSRQ-NUJGCVRESA-N 1 1 288.435 2.842 20 30 CFEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929685118 779072878 /nfs/dbraw/zinc/07/28/78/779072878.db2.gz MKNNPVXVAJVCLO-SSHXOBKSSA-N 1 1 264.413 2.942 20 30 CFEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929685115 779072963 /nfs/dbraw/zinc/07/29/63/779072963.db2.gz MKNNPVXVAJVCLO-CKUJCDMFSA-N 1 1 264.413 2.942 20 30 CFEDMO COC(=O)c1cc2cc(C[N@@H+]3CC[C@@](C)(C#N)C3)ccc2[nH]1 ZINC001237313078 779073606 /nfs/dbraw/zinc/07/36/06/779073606.db2.gz GMVVACATSRLGSX-KRWDZBQOSA-N 1 1 297.358 2.690 20 30 CFEDMO COC(=O)c1cc2cc(C[N@H+]3CC[C@@](C)(C#N)C3)ccc2[nH]1 ZINC001237313078 779073611 /nfs/dbraw/zinc/07/36/11/779073611.db2.gz GMVVACATSRLGSX-KRWDZBQOSA-N 1 1 297.358 2.690 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2ccc(C)c(Cl)c2)C1 ZINC001030889990 779080593 /nfs/dbraw/zinc/08/05/93/779080593.db2.gz UBVCQAJKVBTTBG-UHFFFAOYSA-N 1 1 278.783 2.639 20 30 CFEDMO N#Cc1ccc(CCCN2CC[C@@H]3[NH2+]CCC[C@H]3C2)cc1 ZINC001237381224 779087316 /nfs/dbraw/zinc/08/73/16/779087316.db2.gz IHXLNLDESSXBBG-ROUUACIJSA-N 1 1 283.419 2.565 20 30 CFEDMO CC[C@@H](C)C[N@H+]1CCCC[C@@]12CC(=O)N(CCCC#N)C2 ZINC001272423504 779092630 /nfs/dbraw/zinc/09/26/30/779092630.db2.gz VPSZDMQGAKWKMI-WBVHZDCISA-N 1 1 291.439 2.793 20 30 CFEDMO CC[C@@H](C)C[N@H+]1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272423501 779092647 /nfs/dbraw/zinc/09/26/47/779092647.db2.gz VPSZDMQGAKWKMI-NVXWUHKLSA-N 1 1 291.439 2.793 20 30 CFEDMO COc1ccc2c(c1)[nH]nc2C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001237392800 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ZINC001033694138 780750581 /nfs/dbraw/zinc/75/05/81/780750581.db2.gz IZLAENJAUXIHOO-INIZCTEOSA-N 1 1 290.451 2.759 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC(c3ccccc3)C2)C1 ZINC001033701209 780756386 /nfs/dbraw/zinc/75/63/86/780756386.db2.gz GXONVQAYWQLXNV-DAWZGUTISA-N 1 1 298.430 2.899 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2coc3ccccc23)C1 ZINC001033708437 780756470 /nfs/dbraw/zinc/75/64/70/780756470.db2.gz ALJBBJIGGJXZCL-AWEZNQCLSA-N 1 1 296.370 2.602 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C2(c3ccccc3C)CC2)C1 ZINC001033712931 780759554 /nfs/dbraw/zinc/75/95/54/780759554.db2.gz MRIZERSCWNONDM-INIZCTEOSA-N 1 1 298.430 2.745 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccoc2C)C1 ZINC001033742097 780771047 /nfs/dbraw/zinc/77/10/47/780771047.db2.gz IDFLPNRRPHBVSF-AWEZNQCLSA-N 1 1 276.380 2.701 20 30 CFEDMO C[N@@H+]1CC=C(c2nc(C#N)ccc2NC(=O)C(C)(C)C)CC1 ZINC001241310711 780772216 /nfs/dbraw/zinc/77/22/16/780772216.db2.gz KGPHEYCMYLQSLM-UHFFFAOYSA-N 1 1 298.390 2.657 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2[nH]ccc2C)CC1 ZINC001005332346 780773825 /nfs/dbraw/zinc/77/38/25/780773825.db2.gz VRDDRBKQASHFMY-UHFFFAOYSA-N 1 1 295.814 2.612 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001033753673 780778878 /nfs/dbraw/zinc/77/88/78/780778878.db2.gz SVBQTZZKGJSABZ-HOTGVXAUSA-N 1 1 276.424 2.842 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C)n2)C1 ZINC001033757616 780780504 /nfs/dbraw/zinc/78/05/04/780780504.db2.gz SOILLPQSLHMQDD-HNNXBMFYSA-N 1 1 287.407 2.503 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CCCCCC2)C1 ZINC001033769668 780780667 /nfs/dbraw/zinc/78/06/67/780780667.db2.gz TXSSTPHTAJGKIK-QGZVFWFLSA-N 1 1 290.451 2.903 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001033786318 780786048 /nfs/dbraw/zinc/78/60/48/780786048.db2.gz MJEUNVBSQRCSNB-MWDXBVQZSA-N 1 1 290.451 2.922 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CC(C)C2)C1 ZINC001033788054 780786789 /nfs/dbraw/zinc/78/67/89/780786789.db2.gz AGBRQDVSTXNUCM-NRXISQOPSA-N 1 1 264.413 2.531 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2CC(F)(F)C2)C1 ZINC001033788020 780786915 /nfs/dbraw/zinc/78/69/15/780786915.db2.gz BBTIHPMGGCCITI-ZDUSSCGKSA-N 1 1 286.366 2.531 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ncccc2C)C1 ZINC001033798733 780789131 /nfs/dbraw/zinc/78/91/31/780789131.db2.gz LLDPFVUAAKOZPD-HNNXBMFYSA-N 1 1 287.407 2.503 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)c(C)o2)C1 ZINC001033793550 780792407 /nfs/dbraw/zinc/79/24/07/780792407.db2.gz WWJROPXDPPHCPR-AWEZNQCLSA-N 1 1 276.380 2.619 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C2=CCCC2)C1 ZINC001033797326 780793595 /nfs/dbraw/zinc/79/35/95/780793595.db2.gz XFESRPAWMJVOES-INIZCTEOSA-N 1 1 276.424 2.986 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2=CCCCCC2)C1 ZINC001033808783 780794821 /nfs/dbraw/zinc/79/48/21/780794821.db2.gz XXUZLONRVHOQFV-KRWDZBQOSA-N 1 1 288.435 2.823 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc[nH]c2CC)C1 ZINC001033823874 780796283 /nfs/dbraw/zinc/79/62/83/780796283.db2.gz KOAPMLNZRLFSTI-AWEZNQCLSA-N 1 1 289.423 2.690 20 30 CFEDMO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2sccc2Cl)C1 ZINC001033841113 780802262 /nfs/dbraw/zinc/80/22/62/780802262.db2.gz SAQKRDWNERERNG-NSHDSACASA-N 1 1 296.823 2.571 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2sccc2Cl)C1 ZINC001033841113 780802272 /nfs/dbraw/zinc/80/22/72/780802272.db2.gz SAQKRDWNERERNG-NSHDSACASA-N 1 1 296.823 2.571 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033899029 780821820 /nfs/dbraw/zinc/82/18/20/780821820.db2.gz GGXVOCKYCLDAET-INIZCTEOSA-N 1 1 288.435 2.513 20 30 CFEDMO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@H+](CCC)C2)cc1 ZINC001033922929 780827759 /nfs/dbraw/zinc/82/77/59/780827759.db2.gz NKIKJOYSIQEUAV-KRWDZBQOSA-N 1 1 284.403 2.614 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)[nH]c2C)C1 ZINC001033967313 780841008 /nfs/dbraw/zinc/84/10/08/780841008.db2.gz FOWBHQDKAWSEDE-OAHLLOKOSA-N 1 1 289.423 2.744 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)ccc2F)C1 ZINC001033976949 780844733 /nfs/dbraw/zinc/84/47/33/780844733.db2.gz VWZHWNVMHNXPFJ-CQSZACIVSA-N 1 1 290.382 2.857 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001033984452 780849167 /nfs/dbraw/zinc/84/91/67/780849167.db2.gz RSNWQGJBTMTSSI-OWCLPIDISA-N 1 1 276.424 2.531 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033980972 780849270 /nfs/dbraw/zinc/84/92/70/780849270.db2.gz BDGUUROTQGSSAP-KURKYZTESA-N 1 1 298.430 2.899 20 30 CFEDMO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)ccc2C)C1 ZINC001034026551 780858997 /nfs/dbraw/zinc/85/89/97/780858997.db2.gz SOXKUASFOMXFPQ-KRWDZBQOSA-N 1 1 298.430 2.863 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)cc2C)C1 ZINC001034028522 780859554 /nfs/dbraw/zinc/85/95/54/780859554.db2.gz GYWATSOQRNDZQH-QGZVFWFLSA-N 1 1 298.430 2.863 20 30 CFEDMO CCC(=O)N[C@H]1CCCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001034058545 780870292 /nfs/dbraw/zinc/87/02/92/780870292.db2.gz NXHXKRSPXACVGF-LBPRGKRZSA-N 1 1 291.420 2.500 20 30 CFEDMO CCC(=O)N[C@H]1CCCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001034058545 780870296 /nfs/dbraw/zinc/87/02/96/780870296.db2.gz NXHXKRSPXACVGF-LBPRGKRZSA-N 1 1 291.420 2.500 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001034082964 780885981 /nfs/dbraw/zinc/88/59/81/780885981.db2.gz OGCWPJXMPYZSOZ-OAHLLOKOSA-N 1 1 264.413 2.723 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001034091659 780887644 /nfs/dbraw/zinc/88/76/44/780887644.db2.gz NLKVEJVRTZMKKT-AWEZNQCLSA-N 1 1 276.380 2.748 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)CC2CCCCC2)C1 ZINC001034092548 780888635 /nfs/dbraw/zinc/88/86/35/780888635.db2.gz RICPQEUUNOEULF-KRWDZBQOSA-N 1 1 290.451 2.951 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001034109170 780896309 /nfs/dbraw/zinc/89/63/09/780896309.db2.gz RWGPXAPSTIPBFN-INIZCTEOSA-N 1 1 287.407 2.550 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001034156224 780903275 /nfs/dbraw/zinc/90/32/75/780903275.db2.gz PSHCHSCGQZFIKV-CQSZACIVSA-N 1 1 290.451 2.663 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2ocnc2C)C1 ZINC001034147218 780907595 /nfs/dbraw/zinc/90/75/95/780907595.db2.gz QJFHTJSMDGAQCP-CQSZACIVSA-N 1 1 291.395 2.534 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ncccc2C)C1 ZINC001034150138 780908438 /nfs/dbraw/zinc/90/84/38/780908438.db2.gz KYOPEYVZERSPTJ-HNNXBMFYSA-N 1 1 287.407 2.550 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001034167781 780914260 /nfs/dbraw/zinc/91/42/60/780914260.db2.gz OJNSRJLAPDAQCH-ZIAGYGMSSA-N 1 1 264.413 2.579 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2coc(C)n2)C1 ZINC001034183173 780917254 /nfs/dbraw/zinc/91/72/54/780917254.db2.gz UERXQCYCRUOWOP-CQSZACIVSA-N 1 1 291.395 2.534 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2F)C1 ZINC001034200511 780921128 /nfs/dbraw/zinc/92/11/28/780921128.db2.gz DUFJEXGCBDBXRB-LLVKDONJSA-N 1 1 282.384 2.658 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccncc2C)C1 ZINC001034209015 780923020 /nfs/dbraw/zinc/92/30/20/780923020.db2.gz SSRAXKTZUQPAGW-HNNXBMFYSA-N 1 1 287.407 2.550 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(F)c2C)C1 ZINC001034225454 780929572 /nfs/dbraw/zinc/92/95/72/780929572.db2.gz JCYLUXFWVSRCAM-CQSZACIVSA-N 1 1 290.382 2.904 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(F)ccc2F)C1 ZINC001034247536 780929670 /nfs/dbraw/zinc/92/96/70/780929670.db2.gz POSLVXSICVADJK-CYBMUJFWSA-N 1 1 294.345 2.735 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001034266186 780935694 /nfs/dbraw/zinc/93/56/94/780935694.db2.gz NITVXNKYOQGCIC-CVEARBPZSA-N 1 1 276.424 2.890 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034265372 780935839 /nfs/dbraw/zinc/93/58/39/780935839.db2.gz KHSSBVWYZVDCSN-ZFWWWQNUSA-N 1 1 264.413 2.579 20 30 CFEDMO N#Cc1nccc(C2=CC[N@@H+](Cc3ccccc3)CC2)n1 ZINC001241501680 780945940 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C=C1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCF)C2)CC1 ZINC001034382257 780961493 /nfs/dbraw/zinc/96/14/93/780961493.db2.gz QDGFBYIFNCJKGV-OAHLLOKOSA-N 1 1 282.403 2.673 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001034388583 780963561 /nfs/dbraw/zinc/96/35/61/780963561.db2.gz HNOPIRAFQOHJTN-SOLBZPMBSA-N 1 1 288.435 2.561 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001034422153 780968313 /nfs/dbraw/zinc/96/83/13/780968313.db2.gz GFAJDVISOQJLBZ-LSDHHAIUSA-N 1 1 276.424 2.723 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccco2)C1 ZINC001034412643 780971333 /nfs/dbraw/zinc/97/13/33/780971333.db2.gz AMILBBRNEKUCDX-RRFJBIMHSA-N 1 1 288.391 2.540 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2csc(C)c2)C1 ZINC001034445544 780973975 /nfs/dbraw/zinc/97/39/75/780973975.db2.gz VLEZVNBQEVFMGG-OAHLLOKOSA-N 1 1 290.432 2.664 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001034436823 780974659 /nfs/dbraw/zinc/97/46/59/780974659.db2.gz 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C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CSC ZINC001098895581 781759430 /nfs/dbraw/zinc/75/94/30/781759430.db2.gz VNHBSQUKGFJAMG-CQSZACIVSA-N 1 1 298.496 2.922 20 30 CFEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC3CCCC3)[C@@H]2C1 ZINC001084164406 781774548 /nfs/dbraw/zinc/77/45/48/781774548.db2.gz FDQDXBSWCMXHAA-IAGOWNOFSA-N 1 1 288.435 2.513 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ncccc3C)[C@@H]2C1 ZINC001084263690 781783271 /nfs/dbraw/zinc/78/32/71/781783271.db2.gz QIIFKWPTKHFKQA-HZPDHXFCSA-N 1 1 299.418 2.503 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)C3CC3)[C@@H]2C1 ZINC001084326707 781788369 /nfs/dbraw/zinc/78/83/69/781788369.db2.gz UQGSXHPCBUMQCK-GDBMZVCRSA-N 1 1 290.451 2.922 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccoc3CC)[C@@H]2C1 ZINC001084316894 781788745 /nfs/dbraw/zinc/78/87/45/781788745.db2.gz QVGHCXZWIUUTAZ-UKRRQHHQSA-N 1 1 288.391 2.564 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccoc3Cl)[C@@H]2C1 ZINC001084309185 781788782 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C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CCC3)[C@@H]2C1 ZINC001084591991 781807289 /nfs/dbraw/zinc/80/72/89/781807289.db2.gz ADYAPWXPZBDVPN-HUUCEWRRSA-N 1 1 276.424 2.676 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC3CC(C)(C)C3)[C@@H]2C1 ZINC001084602160 781807815 /nfs/dbraw/zinc/80/78/15/781807815.db2.gz COVYCOIBCRSYQG-HZPDHXFCSA-N 1 1 290.451 2.922 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CCC)C[C@H]21 ZINC001084634860 781813795 /nfs/dbraw/zinc/81/37/95/781813795.db2.gz HOEPPLDNDOBAFZ-IIAWOOMASA-N 1 1 264.413 2.531 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@]34C[C@@H]3CCCC4)[C@@H]2C1 ZINC001084644408 781816400 /nfs/dbraw/zinc/81/64/00/781816400.db2.gz SORINKFDJOUIME-HPFXQQBRSA-N 1 1 288.435 2.676 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCC(F)(F)C3)[C@@H]2C1 ZINC001084655208 781816937 /nfs/dbraw/zinc/81/69/37/781816937.db2.gz QNDLCMILKGTYCJ-BFHYXJOUSA-N 1 1 298.377 2.531 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C=C)cc3)[C@@H]2C1 ZINC001084678291 781819168 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C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCCCC3(C)C)[C@@H]2C1 ZINC001084859818 781848173 /nfs/dbraw/zinc/84/81/73/781848173.db2.gz MZLLGGBCPVEUMD-BZUAXINKSA-N 1 1 290.451 2.922 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CC=CCC3)C[C@@H]21 ZINC001084888263 781855910 /nfs/dbraw/zinc/85/59/10/781855910.db2.gz FWGLUVPHIUWHAL-ZACQAIPSSA-N 1 1 288.435 2.842 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CCCCC)CC1 ZINC001230507045 781857983 /nfs/dbraw/zinc/85/79/83/781857983.db2.gz BMNFOWDKPIEEIV-QGZVFWFLSA-N 1 1 290.451 2.903 20 30 CFEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230556108 781864231 /nfs/dbraw/zinc/86/42/31/781864231.db2.gz CZQCZLTZYSZOAJ-HIFRSBDPSA-N 1 1 264.413 2.674 20 30 CFEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C(C)(C)C)C[C@@H]21 ZINC001084972115 781871077 /nfs/dbraw/zinc/87/10/77/781871077.db2.gz ORLRLHFLOMSQHP-XHSDSOJGSA-N 1 1 290.451 2.615 20 30 CFEDMO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)CCCC ZINC001230844090 781876302 /nfs/dbraw/zinc/87/63/02/781876302.db2.gz GCWDWASZQTYYST-HZPDHXFCSA-N 1 1 278.440 2.759 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)CCCC ZINC001230844090 781876313 /nfs/dbraw/zinc/87/63/13/781876313.db2.gz GCWDWASZQTYYST-HZPDHXFCSA-N 1 1 278.440 2.759 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCCC3(C)C)C[C@@H]21 ZINC001085010847 781880385 /nfs/dbraw/zinc/88/03/85/781880385.db2.gz BULLAUYAHIEZSJ-PMPSAXMXSA-N 1 1 290.451 2.922 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)C3CC3)C[C@@H]21 ZINC001085102161 781911316 /nfs/dbraw/zinc/91/13/16/781911316.db2.gz RIYPQPPHWBPXPV-OIISXLGYSA-N 1 1 290.451 2.922 20 30 CFEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H](CC)OC ZINC001098952939 781912443 /nfs/dbraw/zinc/91/24/43/781912443.db2.gz NQQJVJOLCMZMJY-GJZGRUSLSA-N 1 1 296.455 2.594 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)C[C@@H](C)C3CC3)C[C@@H]21 ZINC001085102730 781913695 /nfs/dbraw/zinc/91/36/95/781913695.db2.gz STISSDLKZJVNDK-OIISXLGYSA-N 1 1 290.451 2.922 20 30 CFEDMO C[C@H]1CC[N@H+](CCNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594512265 349436372 /nfs/dbraw/zinc/43/63/72/349436372.db2.gz INYZMZGRKAUJLK-HNNXBMFYSA-N 1 1 285.435 2.919 20 30 CFEDMO C[C@H]1CC[N@@H+](CCNCc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594512265 349436376 /nfs/dbraw/zinc/43/63/76/349436376.db2.gz INYZMZGRKAUJLK-HNNXBMFYSA-N 1 1 285.435 2.919 20 30 CFEDMO N#CC1(Cc2cn(-c3cc[nH+]cc3)nn2)CCCCC1 ZINC000594644553 349466683 /nfs/dbraw/zinc/46/66/83/349466683.db2.gz DZBFZDWVDDNAFC-UHFFFAOYSA-N 1 1 267.336 2.679 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067658869 346812614 /nfs/dbraw/zinc/81/26/14/346812614.db2.gz JZFMNMUMYFRLMD-OWCLPIDISA-N 1 1 296.455 2.545 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067658869 346812619 /nfs/dbraw/zinc/81/26/19/346812619.db2.gz JZFMNMUMYFRLMD-OWCLPIDISA-N 1 1 296.455 2.545 20 30 CFEDMO Cn1cc([C@@H]([NH2+]CC2(CC#N)CC2)c2ccc(F)cc2)cn1 ZINC000594708303 349477716 /nfs/dbraw/zinc/47/77/16/349477716.db2.gz SGKWAGAUQKZGEB-INIZCTEOSA-N 1 1 298.365 2.932 20 30 CFEDMO CCOc1ccc(C#N)cc1NCc1c[nH+]c2n1CCC2 ZINC000594946440 349523745 /nfs/dbraw/zinc/52/37/45/349523745.db2.gz PQNCJQPGJSFGBP-UHFFFAOYSA-N 1 1 282.347 2.712 20 30 CFEDMO Cc1c(C#N)cccc1NCc1c[nH+]c2n1CCC2 ZINC000594951195 349526219 /nfs/dbraw/zinc/52/62/19/349526219.db2.gz BPZQAJSMHLRNHN-UHFFFAOYSA-N 1 1 252.321 2.622 20 30 CFEDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2ncnn21 ZINC000594955827 349527901 /nfs/dbraw/zinc/52/79/01/349527901.db2.gz BHQSIDGTTCOBKW-SWLSCSKDSA-N 1 1 295.390 2.875 20 30 CFEDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)c2ncnn21 ZINC000594955764 349527942 /nfs/dbraw/zinc/52/79/42/349527942.db2.gz APLAUWHLPGFEFJ-DOMZBBRYSA-N 1 1 293.374 2.629 20 30 CFEDMO N#CCC[C@@H]([NH2+]Cc1cnc2n1CCC2)c1ccccc1 ZINC000594961383 349531612 /nfs/dbraw/zinc/53/16/12/349531612.db2.gz YMDJUWUFTPINFS-MRXNPFEDSA-N 1 1 280.375 2.964 20 30 CFEDMO C[C@@H]1C[C@@H](NCC2(C#N)CCCCC2)C[N@H+]1C1CC1 ZINC000594981465 349538200 /nfs/dbraw/zinc/53/82/00/349538200.db2.gz QRPLSAXPQUGAAM-ZIAGYGMSSA-N 1 1 261.413 2.675 20 30 CFEDMO C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)CN1C1CC1 ZINC000594981465 349538201 /nfs/dbraw/zinc/53/82/01/349538201.db2.gz QRPLSAXPQUGAAM-ZIAGYGMSSA-N 1 1 261.413 2.675 20 30 CFEDMO N#Cc1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)o1 ZINC000594981994 349538213 /nfs/dbraw/zinc/53/82/13/349538213.db2.gz XEEYESRWPVICCS-OAHLLOKOSA-N 1 1 254.289 2.634 20 30 CFEDMO C=CCCSCC[NH2+]C1CCN(CCC)CC1 ZINC000595060577 349571214 /nfs/dbraw/zinc/57/12/14/349571214.db2.gz VUNGTVFOGWMBSG-UHFFFAOYSA-N 1 1 256.459 2.760 20 30 CFEDMO CCn1cc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)nn1 ZINC000595066540 349572161 /nfs/dbraw/zinc/57/21/61/349572161.db2.gz AKFAAWPXZRHLCF-QGZVFWFLSA-N 1 1 295.390 2.727 20 30 CFEDMO CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccc(C#N)cc1 ZINC000595064168 349572204 /nfs/dbraw/zinc/57/22/04/349572204.db2.gz DYPORASJKOFALI-BYCMXARLSA-N 1 1 281.363 2.896 20 30 CFEDMO 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ZINC000584835305 348720807 /nfs/dbraw/zinc/72/08/07/348720807.db2.gz TTYNINUWJJBOEE-KGLIPLIRSA-N 1 1 298.434 2.974 20 30 CFEDMO Cc1cc(NCCCC[N@H+](C)C2CC2)cc(C#N)n1 ZINC000413343606 233056479 /nfs/dbraw/zinc/05/64/79/233056479.db2.gz BBQRWWUYNKMTDZ-UHFFFAOYSA-N 1 1 258.369 2.548 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000584716098 348707665 /nfs/dbraw/zinc/70/76/65/348707665.db2.gz BIMDGYIGOXPRLQ-KGLIPLIRSA-N 1 1 250.386 2.817 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000585718557 348739705 /nfs/dbraw/zinc/73/97/05/348739705.db2.gz LJXPRPIYWIXXAF-MRXNPFEDSA-N 1 1 293.455 2.503 20 30 CFEDMO CCc1nc(N[C@@H]2CCc3cc(C#N)ccc32)cc(C)[nH+]1 ZINC000588035762 348768108 /nfs/dbraw/zinc/76/81/08/348768108.db2.gz VVTMZZCAUUKIPC-OAHLLOKOSA-N 1 1 278.359 2.740 20 30 CFEDMO C[C@H](CNC(=O)CCCCCC#N)[N@H+]1CCCC[C@@H]1C ZINC000588150467 348773700 /nfs/dbraw/zinc/77/37/00/348773700.db2.gz VQLQZDLGRVCLKZ-LSDHHAIUSA-N 1 1 279.428 2.840 20 30 CFEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)CCCCCC#N ZINC000588165671 348776683 /nfs/dbraw/zinc/77/66/83/348776683.db2.gz ATGGASWLKOKXHB-CQSZACIVSA-N 1 1 279.428 2.697 20 30 CFEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000588205272 348779746 /nfs/dbraw/zinc/77/97/46/348779746.db2.gz PNJCDXKWEPYDMO-DYVFJYSZSA-N 1 1 278.359 2.931 20 30 CFEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000588205272 348779750 /nfs/dbraw/zinc/77/97/50/348779750.db2.gz PNJCDXKWEPYDMO-DYVFJYSZSA-N 1 1 278.359 2.931 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000271061377 190929090 /nfs/dbraw/zinc/92/90/90/190929090.db2.gz SMQJFZLSSWPKTA-QGZVFWFLSA-N 1 1 296.370 2.732 20 30 CFEDMO COc1cc(C#N)ccc1C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000271061377 190929091 /nfs/dbraw/zinc/92/90/91/190929091.db2.gz SMQJFZLSSWPKTA-QGZVFWFLSA-N 1 1 296.370 2.732 20 30 CFEDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000585754784 348743352 /nfs/dbraw/zinc/74/33/52/348743352.db2.gz RGDATJALUHOVRM-KRWDZBQOSA-N 1 1 299.418 2.747 20 30 CFEDMO Cc1noc(C)c1[C@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000585766517 348743600 /nfs/dbraw/zinc/74/36/00/348743600.db2.gz NVRFVAXKJRQLCD-JTQLQIEISA-N 1 1 295.346 2.662 20 30 CFEDMO Cc1nsc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1C#N ZINC000587210548 348762006 /nfs/dbraw/zinc/76/20/06/348762006.db2.gz NXYOOVCNGJZTPF-MNOVXSKESA-N 1 1 278.425 2.856 20 30 CFEDMO CCc1nc(N[C@@H](C)c2cccc(C#N)c2)cc(C)[nH+]1 ZINC000587988876 348763755 /nfs/dbraw/zinc/76/37/55/348763755.db2.gz DSMKLIKCIFFSQP-LBPRGKRZSA-N 1 1 266.348 2.814 20 30 CFEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2ccnc(C#N)c2)C1 ZINC000587987116 348763806 /nfs/dbraw/zinc/76/38/06/348763806.db2.gz KKQIZCXLVWTYQO-SFHVURJKSA-N 1 1 292.386 2.664 20 30 CFEDMO Cc1cc(N2CC[C@@H](C)C2)c(C#N)c(N2CC[C@@H](C)C2)[nH+]1 ZINC000589114267 348811404 /nfs/dbraw/zinc/81/14/04/348811404.db2.gz ZNTNGUQRPJAGOF-CHWSQXEVSA-N 1 1 284.407 2.954 20 30 CFEDMO C[C@]1(C[NH2+]C[C@H](C#N)CCC#N)OCCc2sccc21 ZINC000589573858 348839546 /nfs/dbraw/zinc/83/95/46/348839546.db2.gz RQKUKXAKFAGHAZ-SWLSCSKDSA-N 1 1 289.404 2.569 20 30 CFEDMO CN(Cc1ccccc1)[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000590161224 348881038 /nfs/dbraw/zinc/88/10/38/348881038.db2.gz LLGSLEIHNFUETK-OKZBNKHCSA-N 1 1 283.419 2.885 20 30 CFEDMO C[N@H+](Cc1ccccc1)[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000590161224 348881039 /nfs/dbraw/zinc/88/10/39/348881039.db2.gz LLGSLEIHNFUETK-OKZBNKHCSA-N 1 1 283.419 2.885 20 30 CFEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000590161224 348881040 /nfs/dbraw/zinc/88/10/40/348881040.db2.gz LLGSLEIHNFUETK-OKZBNKHCSA-N 1 1 283.419 2.885 20 30 CFEDMO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000590175413 348882589 /nfs/dbraw/zinc/88/25/89/348882589.db2.gz OOLJRPOBUSEQRS-GRYCIOLGSA-N 1 1 276.302 2.722 20 30 CFEDMO CCc1cc(CCC[N@@H+]2CCC[C@](C)(C#N)C2)on1 ZINC000590715500 348935114 /nfs/dbraw/zinc/93/51/14/348935114.db2.gz JLHOVYAHDLDHLB-OAHLLOKOSA-N 1 1 261.369 2.795 20 30 CFEDMO CCc1cc(CCC[N@H+]2CCC[C@](C)(C#N)C2)on1 ZINC000590715500 348935117 /nfs/dbraw/zinc/93/51/17/348935117.db2.gz JLHOVYAHDLDHLB-OAHLLOKOSA-N 1 1 261.369 2.795 20 30 CFEDMO C[C@H]1COCC[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590746539 348941960 /nfs/dbraw/zinc/94/19/60/348941960.db2.gz GLUYQXCGBSOOIA-ZDUSSCGKSA-N 1 1 258.365 2.708 20 30 CFEDMO C[C@H]1COCC[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000590746539 348941963 /nfs/dbraw/zinc/94/19/63/348941963.db2.gz GLUYQXCGBSOOIA-ZDUSSCGKSA-N 1 1 258.365 2.708 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000590593184 348912363 /nfs/dbraw/zinc/91/23/63/348912363.db2.gz LKAKYTNMCZEIBA-CJNGLKHVSA-N 1 1 274.364 2.705 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2cccc(O)c2)C1 ZINC000590593184 348912365 /nfs/dbraw/zinc/91/23/65/348912365.db2.gz LKAKYTNMCZEIBA-CJNGLKHVSA-N 1 1 274.364 2.705 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2nc[nH]c2C1 ZINC000590601097 348914049 /nfs/dbraw/zinc/91/40/49/348914049.db2.gz QIIHTBZSTCWVBU-UHFFFAOYSA-N 1 1 280.375 2.769 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2nc[nH]c2C1 ZINC000590601097 348914053 /nfs/dbraw/zinc/91/40/53/348914053.db2.gz QIIHTBZSTCWVBU-UHFFFAOYSA-N 1 1 280.375 2.769 20 30 CFEDMO CCN1C[C@H](C[N@@H+](C)[C@H](C)CCC#N)Oc2ccccc21 ZINC000591010425 348977654 /nfs/dbraw/zinc/97/76/54/348977654.db2.gz VPHXLPTYUAWRLD-CABCVRRESA-N 1 1 287.407 2.898 20 30 CFEDMO N#CC1(CC[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)CCCCC1 ZINC000591016099 348978108 /nfs/dbraw/zinc/97/81/08/348978108.db2.gz XMGODQFPLFZOEH-CVEARBPZSA-N 1 1 292.423 2.730 20 30 CFEDMO N#CC1(CC[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)CCCCC1 ZINC000591016099 348978111 /nfs/dbraw/zinc/97/81/11/348978111.db2.gz XMGODQFPLFZOEH-CVEARBPZSA-N 1 1 292.423 2.730 20 30 CFEDMO C[N@@H+](CCC1(C#N)CCCCC1)C[C@H](O)C1CC1 ZINC000591016457 348978384 /nfs/dbraw/zinc/97/83/84/348978384.db2.gz XHAWLDXOTWMHMI-AWEZNQCLSA-N 1 1 250.386 2.553 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000591026507 348980057 /nfs/dbraw/zinc/98/00/57/348980057.db2.gz CVMHOBBKYHYYFE-SWLSCSKDSA-N 1 1 262.328 2.971 20 30 CFEDMO C=C[C@@H](C(=O)OC)[N@H+](CCC)CCc1cccs1 ZINC000591029402 348980659 /nfs/dbraw/zinc/98/06/59/348980659.db2.gz SVXAWBDQKQZGHE-ZDUSSCGKSA-N 1 1 267.394 2.730 20 30 CFEDMO C=C[C@@H](C(=O)OC)[N@@H+](CCC)CCc1cccs1 ZINC000591029402 348980663 /nfs/dbraw/zinc/98/06/63/348980663.db2.gz SVXAWBDQKQZGHE-ZDUSSCGKSA-N 1 1 267.394 2.730 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591061923 348982873 /nfs/dbraw/zinc/98/28/73/348982873.db2.gz ONOGWPXUTUKUPZ-UKPHBRMFSA-N 1 1 291.439 2.551 20 30 CFEDMO COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000591056280 348983077 /nfs/dbraw/zinc/98/30/77/348983077.db2.gz TXQHJKLEJAGSKM-KRWDZBQOSA-N 1 1 286.375 2.642 20 30 CFEDMO Cc1cc(NC(=O)N2CCC[C@@](C)(C#N)C2)cn2cc[nH+]c12 ZINC000590841573 348957343 /nfs/dbraw/zinc/95/73/43/348957343.db2.gz UGRKVAJQGDERRY-INIZCTEOSA-N 1 1 297.362 2.800 20 30 CFEDMO CC[N@@H+](Cc1cnccn1)[C@H](C)c1ccc(C#N)cc1 ZINC000590951416 348971552 /nfs/dbraw/zinc/97/15/52/348971552.db2.gz HJHQZMLKXLDBQT-CYBMUJFWSA-N 1 1 266.348 2.931 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccccc1N1CCCC1 ZINC000591728017 349040619 /nfs/dbraw/zinc/04/06/19/349040619.db2.gz ZSNSCNCXQOGWCQ-OAHLLOKOSA-N 1 1 282.391 2.820 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000591756030 349041912 /nfs/dbraw/zinc/04/19/12/349041912.db2.gz IZQCLLWJKIXXDU-GOEBONIOSA-N 1 1 271.364 2.533 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000591849377 349050874 /nfs/dbraw/zinc/05/08/74/349050874.db2.gz KLHSEDHMKSCJHD-QGZVFWFLSA-N 1 1 271.408 2.639 20 30 CFEDMO Cc1cc(C#N)ccc1CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000591849377 349050877 /nfs/dbraw/zinc/05/08/77/349050877.db2.gz KLHSEDHMKSCJHD-QGZVFWFLSA-N 1 1 271.408 2.639 20 30 CFEDMO Cc1cc(C#N)ccc1CN1CC[N@H+](C)C[C@@H]1C(C)C ZINC000591849377 349050880 /nfs/dbraw/zinc/05/08/80/349050880.db2.gz KLHSEDHMKSCJHD-QGZVFWFLSA-N 1 1 271.408 2.639 20 30 CFEDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc(Cl)cc1C#N ZINC000591850028 349050947 /nfs/dbraw/zinc/05/09/47/349050947.db2.gz RCMCSLUBRHKZTL-OAHLLOKOSA-N 1 1 277.799 2.738 20 30 CFEDMO Cn1c2ccc(Nc3cncc(C#N)n3)cc2[nH+]c1C1CC1 ZINC000591460099 349024766 /nfs/dbraw/zinc/02/47/66/349024766.db2.gz UPJRVCODZIFZFE-UHFFFAOYSA-N 1 1 290.330 2.856 20 30 CFEDMO N#Cc1ccc2c(c1)CCCC[C@H]2NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591581142 349032935 /nfs/dbraw/zinc/03/29/35/349032935.db2.gz LREBDWPOBADZAC-YQQAZPJKSA-N 1 1 287.382 2.615 20 30 CFEDMO CCC(CC)[N@@H+](CCOC)Cc1ccncc1C#N ZINC000592067014 349078660 /nfs/dbraw/zinc/07/86/60/349078660.db2.gz MFDAZNYIFCNGEH-UHFFFAOYSA-N 1 1 261.369 2.590 20 30 CFEDMO COCC[N@H+](CCc1ccccc1)Cc1ccncc1C#N ZINC000592068219 349078920 /nfs/dbraw/zinc/07/89/20/349078920.db2.gz NSQWSKUCDCKYEL-UHFFFAOYSA-N 1 1 295.386 2.644 20 30 CFEDMO COCC[N@@H+](CCc1ccccc1)Cc1ccncc1C#N ZINC000592068219 349078923 /nfs/dbraw/zinc/07/89/23/349078923.db2.gz NSQWSKUCDCKYEL-UHFFFAOYSA-N 1 1 295.386 2.644 20 30 CFEDMO CCC[N@@H+](Cc1ccncc1C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000592072066 349079432 /nfs/dbraw/zinc/07/94/32/349079432.db2.gz IFPLIGCLXLDTAX-GVDBMIGSSA-N 1 1 299.418 2.979 20 30 CFEDMO CCC[N@@H+](Cc1ccncc1C#N)C[C@H]1CCCCO1 ZINC000592080130 349080276 /nfs/dbraw/zinc/08/02/76/349080276.db2.gz OSMOUHOKMYEVST-MRXNPFEDSA-N 1 1 273.380 2.734 20 30 CFEDMO CCC[N@H+](Cc1ccncc1C#N)C[C@H]1CCCCO1 ZINC000592080130 349080280 /nfs/dbraw/zinc/08/02/80/349080280.db2.gz OSMOUHOKMYEVST-MRXNPFEDSA-N 1 1 273.380 2.734 20 30 CFEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccncc1C#N ZINC000592082822 349080557 /nfs/dbraw/zinc/08/05/57/349080557.db2.gz QBIPAIDUIFCXOO-FZKQIMNGSA-N 1 1 293.370 2.777 20 30 CFEDMO C[C@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccncc1C#N ZINC000592082822 349080559 /nfs/dbraw/zinc/08/05/59/349080559.db2.gz QBIPAIDUIFCXOO-FZKQIMNGSA-N 1 1 293.370 2.777 20 30 CFEDMO COc1cccc([C@@H](C)[NH2+]Cc2ccncc2C#N)c1 ZINC000592092120 349081446 /nfs/dbraw/zinc/08/14/46/349081446.db2.gz 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C=CC[N@H+](CCc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000181662854 189304082 /nfs/dbraw/zinc/30/40/82/189304082.db2.gz NDZHBGOSBMGJID-CYBMUJFWSA-N 1 1 273.298 2.640 20 30 CFEDMO CCOC(=O)c1ccc(C[NH2+]Cc2cccc(C#N)c2)o1 ZINC000182759099 189333631 /nfs/dbraw/zinc/33/36/31/189333631.db2.gz BAIYRXQEYXKSMR-UHFFFAOYSA-N 1 1 284.315 2.618 20 30 CFEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153295080 291277296 /nfs/dbraw/zinc/27/72/96/291277296.db2.gz GENZHFHWBHHCAF-OWCLPIDISA-N 1 1 284.359 2.504 20 30 CFEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153295080 291277298 /nfs/dbraw/zinc/27/72/98/291277298.db2.gz GENZHFHWBHHCAF-OWCLPIDISA-N 1 1 284.359 2.504 20 30 CFEDMO C[N@H+]1CC[C@@H](Nc2ncccc2C#N)[C@@H]1c1ccc(F)cc1 ZINC000301853858 201234418 /nfs/dbraw/zinc/23/44/18/201234418.db2.gz QKFFPDWWJXTVFD-CVEARBPZSA-N 1 1 296.349 2.950 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1CCOC1 ZINC000425367528 239031001 /nfs/dbraw/zinc/03/10/01/239031001.db2.gz 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HBTLQVBYPJMBDN-RDJZCZTQSA-N 1 1 299.418 2.627 20 30 CFEDMO O[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@H]2CCCC[C@@H]12 ZINC000640101123 383712674 /nfs/dbraw/zinc/71/26/74/383712674.db2.gz OBWBVLTYXMEYRP-FGTMMUONSA-N 1 1 287.378 2.803 20 30 CFEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1ccc(C#N)cn1 ZINC000119059052 376344840 /nfs/dbraw/zinc/34/48/40/376344840.db2.gz JYWZIHPGFLSFDM-OAHLLOKOSA-N 1 1 272.396 2.876 20 30 CFEDMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118390432 376290384 /nfs/dbraw/zinc/29/03/84/376290384.db2.gz NTUYOERLUVCGFU-XJKSGUPXSA-N 1 1 286.375 2.894 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000118399455 376292666 /nfs/dbraw/zinc/29/26/66/376292666.db2.gz RBMGMWNXQOLPOM-YOEHRIQHSA-N 1 1 297.402 2.706 20 30 CFEDMO CCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118396483 376293131 /nfs/dbraw/zinc/29/31/31/376293131.db2.gz OTBPYKAHZKCQPV-YOEHRIQHSA-N 1 1 299.418 3.000 20 30 CFEDMO CC(C)[N@@H+](CCCSCC#N)Cc1cccnc1 ZINC000119767456 376468540 /nfs/dbraw/zinc/46/85/40/376468540.db2.gz FBIRAEBVZQRFHK-UHFFFAOYSA-N 1 1 263.410 2.939 20 30 CFEDMO C=CCCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000263981322 190087294 /nfs/dbraw/zinc/08/72/94/190087294.db2.gz KUMBVMABKGXVDM-UHFFFAOYSA-N 1 1 272.392 2.605 20 30 CFEDMO C=CCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000263958087 190086318 /nfs/dbraw/zinc/08/63/18/190086318.db2.gz CUORGWNEULVHCG-INIZCTEOSA-N 1 1 272.392 2.733 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)C[C@@H](CC)c2ccccc2)CC1 ZINC000264133009 190092306 /nfs/dbraw/zinc/09/23/06/190092306.db2.gz ZCDOVFXKPWOAGY-QGZVFWFLSA-N 1 1 298.430 2.738 20 30 CFEDMO C[N@@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCSC1 ZINC000120017479 376529911 /nfs/dbraw/zinc/52/99/11/376529911.db2.gz NFEGFXWUHPUPHX-ZDUSSCGKSA-N 1 1 271.389 2.748 20 30 CFEDMO N#CCCCN1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000120238173 376575217 /nfs/dbraw/zinc/57/52/17/376575217.db2.gz JTAWKLOVVOFUJT-AWEZNQCLSA-N 1 1 281.363 2.912 20 30 CFEDMO CC(C)(C)C[N@@H+](CCCO)Cc1cc(C#N)ccc1F ZINC000264459342 190110999 /nfs/dbraw/zinc/11/09/99/190110999.db2.gz USRBTPLWDCLYRY-UHFFFAOYSA-N 1 1 278.371 2.928 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cscc1C#N ZINC000432032875 383714580 /nfs/dbraw/zinc/71/45/80/383714580.db2.gz QJUBDWSYMRDTAK-GFCCVEGCSA-N 1 1 291.420 2.614 20 30 CFEDMO COc1cc(C#N)ccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000120625337 376655606 /nfs/dbraw/zinc/65/56/06/376655606.db2.gz HPHLCHKMJQBDMS-AWEZNQCLSA-N 1 1 286.375 2.568 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000120674529 376666663 /nfs/dbraw/zinc/66/66/63/376666663.db2.gz OXIFHJCCQADWLS-AWEZNQCLSA-N 1 1 296.374 2.670 20 30 CFEDMO C=C1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000264500383 190113911 /nfs/dbraw/zinc/11/39/11/190113911.db2.gz CMVJELCDFUJOHA-HNNXBMFYSA-N 1 1 284.403 2.612 20 30 CFEDMO C=CCC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)C1CC1 ZINC000121255236 376791037 /nfs/dbraw/zinc/79/10/37/376791037.db2.gz FJMAXCLKLPUAPH-YJBOKZPZSA-N 1 1 292.467 2.822 20 30 CFEDMO CCC#C[C@H](C)[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000678975109 542104361 /nfs/dbraw/zinc/10/43/61/542104361.db2.gz QYVPVRHEXIRWGT-DOTOQJQBSA-N 1 1 257.377 2.732 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000678975109 542104364 /nfs/dbraw/zinc/10/43/64/542104364.db2.gz QYVPVRHEXIRWGT-DOTOQJQBSA-N 1 1 257.377 2.732 20 30 CFEDMO CCC#C[C@@H](C)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000678975112 542104613 /nfs/dbraw/zinc/10/46/13/542104613.db2.gz QYVPVRHEXIRWGT-WBVHZDCISA-N 1 1 257.377 2.732 20 30 CFEDMO CCC#C[C@@H](C)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000678975112 542104617 /nfs/dbraw/zinc/10/46/17/542104617.db2.gz QYVPVRHEXIRWGT-WBVHZDCISA-N 1 1 257.377 2.732 20 30 CFEDMO C=CC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000121440494 376832351 /nfs/dbraw/zinc/83/23/51/376832351.db2.gz TYSHQAZACXKDLK-CYBMUJFWSA-N 1 1 260.381 2.544 20 30 CFEDMO C=CC[N@H+](C)CC(=O)N[C@H](C)c1ccc(CC)cc1 ZINC000121440494 376832356 /nfs/dbraw/zinc/83/23/56/376832356.db2.gz TYSHQAZACXKDLK-CYBMUJFWSA-N 1 1 260.381 2.544 20 30 CFEDMO C=CC[N@@H+](C)CCCCCn1nnc(-c2ccccc2)n1 ZINC000121464552 376838715 /nfs/dbraw/zinc/83/87/15/376838715.db2.gz OWBQQUBBZBVJFU-UHFFFAOYSA-N 1 1 285.395 2.628 20 30 CFEDMO C=CC[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000121480216 376841619 /nfs/dbraw/zinc/84/16/19/376841619.db2.gz WXPKQGVNVVOBJI-SNVBAGLBSA-N 1 1 290.190 2.851 20 30 CFEDMO C=CC[N@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000121479861 376841726 /nfs/dbraw/zinc/84/17/26/376841726.db2.gz YVKNMFYFSVUTPU-HNNXBMFYSA-N 1 1 277.408 2.842 20 30 CFEDMO C=CC[N@@H+](C)CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000121490756 376843668 /nfs/dbraw/zinc/84/36/68/376843668.db2.gz YNYXNQRZUGTZAC-UHFFFAOYSA-N 1 1 274.408 2.587 20 30 CFEDMO C=CC[N@H+](C)CC(=O)NCCc1ccc(C(C)C)cc1 ZINC000121490756 376843670 /nfs/dbraw/zinc/84/36/70/376843670.db2.gz YNYXNQRZUGTZAC-UHFFFAOYSA-N 1 1 274.408 2.587 20 30 CFEDMO C=CC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000121623869 376873557 /nfs/dbraw/zinc/87/35/57/376873557.db2.gz SCPIJSHUGKDUIB-INIZCTEOSA-N 1 1 274.408 2.660 20 30 CFEDMO C=CC[N@H+](C)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000121623869 376873569 /nfs/dbraw/zinc/87/35/69/376873569.db2.gz SCPIJSHUGKDUIB-INIZCTEOSA-N 1 1 274.408 2.660 20 30 CFEDMO C[C@]1(c2ccccc2)C[N@@H+](CCCCC#N)CCO1 ZINC000121791240 376904449 /nfs/dbraw/zinc/90/44/49/376904449.db2.gz VEJQRXQASLKQDR-MRXNPFEDSA-N 1 1 258.365 2.928 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000122877040 376939992 /nfs/dbraw/zinc/93/99/92/376939992.db2.gz KDFSRFYHPKWEAR-KKUMJFAQSA-N 1 1 264.413 2.553 20 30 CFEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000124422277 377050085 /nfs/dbraw/zinc/05/00/85/377050085.db2.gz WBWHXDMGEHVVOY-UAGQMJEPSA-N 1 1 288.366 2.823 20 30 CFEDMO N#CCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000125008590 377111485 /nfs/dbraw/zinc/11/14/85/377111485.db2.gz PNVATOIHSVRUOR-ZNMIVQPWSA-N 1 1 250.386 2.696 20 30 CFEDMO N#Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000124837841 377094026 /nfs/dbraw/zinc/09/40/26/377094026.db2.gz FXGKPTBAMJQQHP-QWHCGFSZSA-N 1 1 286.335 2.505 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000125308450 377140800 /nfs/dbraw/zinc/14/08/00/377140800.db2.gz SELHGGJCAPIKQT-YCPHGPKFSA-N 1 1 279.428 2.551 20 30 CFEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](CC)C2)c1 ZINC000125540107 377167293 /nfs/dbraw/zinc/16/72/93/377167293.db2.gz DEHXPXWLPYVQDU-HNNXBMFYSA-N 1 1 261.365 2.862 20 30 CFEDMO C=CCOc1cccc(C[N@H+]2CCO[C@@H](CC)C2)c1 ZINC000125540107 377167301 /nfs/dbraw/zinc/16/73/01/377167301.db2.gz DEHXPXWLPYVQDU-HNNXBMFYSA-N 1 1 261.365 2.862 20 30 CFEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)CCCSCC#N ZINC000125762260 377188963 /nfs/dbraw/zinc/18/89/63/377188963.db2.gz JYGYHPUAPDACSG-CYBMUJFWSA-N 1 1 278.421 2.902 20 30 CFEDMO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000126586822 377236603 /nfs/dbraw/zinc/23/66/03/377236603.db2.gz PCJZTYAAPNUVNG-GFCCVEGCSA-N 1 1 294.345 2.816 20 30 CFEDMO Cc1ccoc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000126941154 377253405 /nfs/dbraw/zinc/25/34/05/377253405.db2.gz YDGDAMFMDJPPCU-UHFFFAOYSA-N 1 1 281.359 2.782 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)s1 ZINC000128122618 377318021 /nfs/dbraw/zinc/31/80/21/377318021.db2.gz JXGDZSNIXLOKIN-BXUZGUMPSA-N 1 1 262.378 2.621 20 30 CFEDMO CC(C)C(N)=[NH+]OCc1nc(-c2ccc(Cl)cc2)no1 ZINC000128483608 377341674 /nfs/dbraw/zinc/34/16/74/377341674.db2.gz UXLHMETWWXPQFZ-UHFFFAOYSA-N 1 1 294.742 2.835 20 30 CFEDMO C=CC[N@H+](CCC(=O)N(C)CC)Cc1cccs1 ZINC000130049134 377505903 /nfs/dbraw/zinc/50/59/03/377505903.db2.gz HBFCCNWWPDOGRS-UHFFFAOYSA-N 1 1 266.410 2.605 20 30 CFEDMO Cc1cc(C#N)ccc1C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000129806219 377475591 /nfs/dbraw/zinc/47/55/91/377475591.db2.gz RCJJNXVXBNLKQV-MRXNPFEDSA-N 1 1 299.418 2.574 20 30 CFEDMO COC(=O)C1([N@H+](C)Cc2cccc(C#N)c2)CCCCC1 ZINC000129835854 377479179 /nfs/dbraw/zinc/47/91/79/377479179.db2.gz AQRJEJSWMGSINH-UHFFFAOYSA-N 1 1 286.375 2.866 20 30 CFEDMO COC(=O)C1([N@@H+](C)Cc2cccc(C#N)c2)CCCCC1 ZINC000129835854 377479187 /nfs/dbraw/zinc/47/91/87/377479187.db2.gz AQRJEJSWMGSINH-UHFFFAOYSA-N 1 1 286.375 2.866 20 30 CFEDMO C=CCC[N@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000265785775 190206543 /nfs/dbraw/zinc/20/65/43/190206543.db2.gz LHHCWQTXUPTCFR-UHFFFAOYSA-N 1 1 251.301 2.700 20 30 CFEDMO COC(=O)c1cc(C[N@H+](C)CCC(C)(C)C#N)oc1C ZINC000130897901 377627182 /nfs/dbraw/zinc/62/71/82/377627182.db2.gz PWXRLGVTDNHYJP-UHFFFAOYSA-N 1 1 278.352 2.746 20 30 CFEDMO COC(=O)c1cc(C[N@@H+](C)CCC(C)(C)C#N)oc1C ZINC000130897901 377627186 /nfs/dbraw/zinc/62/71/86/377627186.db2.gz PWXRLGVTDNHYJP-UHFFFAOYSA-N 1 1 278.352 2.746 20 30 CFEDMO C=C(C)CN(CC)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000130986585 377642258 /nfs/dbraw/zinc/64/22/58/377642258.db2.gz ZJPXUJYYQCHGFB-MRXNPFEDSA-N 1 1 295.471 2.962 20 30 CFEDMO C[N@H+](CCOCC1CC1)Cc1cn2ccccc2c1C#N ZINC000130965073 377637955 /nfs/dbraw/zinc/63/79/55/377637955.db2.gz HPXOEAOSQCCJHV-UHFFFAOYSA-N 1 1 283.375 2.669 20 30 CFEDMO C[N@@H+](CCOCC1CC1)Cc1cn2ccccc2c1C#N ZINC000130965073 377637966 /nfs/dbraw/zinc/63/79/66/377637966.db2.gz HPXOEAOSQCCJHV-UHFFFAOYSA-N 1 1 283.375 2.669 20 30 CFEDMO C=CC[N@H+](CCn1ccnc1)Cc1ccc(OC)cc1 ZINC000131220318 377677829 /nfs/dbraw/zinc/67/78/29/377677829.db2.gz VZODYWXGXHQKKL-UHFFFAOYSA-N 1 1 271.364 2.580 20 30 CFEDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000131540685 377724326 /nfs/dbraw/zinc/72/43/26/377724326.db2.gz HYIHKNRZMBZUSI-GFCCVEGCSA-N 1 1 281.400 2.525 20 30 CFEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000679674439 542225520 /nfs/dbraw/zinc/22/55/20/542225520.db2.gz SIXSRDPUSGSRCA-ZDUSSCGKSA-N 1 1 273.298 2.988 20 30 CFEDMO CCCC[N@@H+](CC)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000132599846 377856660 /nfs/dbraw/zinc/85/66/60/377856660.db2.gz QEQUAEAMKGUWAD-ZDUSSCGKSA-N 1 1 291.420 2.847 20 30 CFEDMO CC[N@H+]1CCC[C@H](CNc2snc(Cl)c2C#N)C1 ZINC000133259999 377917668 /nfs/dbraw/zinc/91/76/68/377917668.db2.gz DQIQSBRPUSVFSH-SECBINFHSA-N 1 1 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ZINC000354208554 381141985 /nfs/dbraw/zinc/14/19/85/381141985.db2.gz OQROCOVLLJBAQE-MNOVXSKESA-N 1 1 277.393 2.679 20 30 CFEDMO Cn1cc(CNc2cc(C3CC3)cc[nH+]2)cc1C#N ZINC000289770140 381147394 /nfs/dbraw/zinc/14/73/94/381147394.db2.gz JQKCVSLXHYWJIB-UHFFFAOYSA-N 1 1 252.321 2.781 20 30 CFEDMO CC[N@@H+](CC1CC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182782777 381155941 /nfs/dbraw/zinc/15/59/41/381155941.db2.gz IKXLZGUBCXOFIR-QGZVFWFLSA-N 1 1 297.402 2.786 20 30 CFEDMO COc1cc(C#N)ccc1OCC[N@@H+](C)Cc1ccoc1 ZINC000354243331 381158392 /nfs/dbraw/zinc/15/83/92/381158392.db2.gz ZLLNLDCIGZASIK-UHFFFAOYSA-N 1 1 286.331 2.671 20 30 CFEDMO C[C@@H]1CC(C)(C)C[N@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000412050517 381130219 /nfs/dbraw/zinc/13/02/19/381130219.db2.gz YOXOACGNDLPDKR-CZUORRHYSA-N 1 1 297.402 2.784 20 30 CFEDMO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000341689543 381173952 /nfs/dbraw/zinc/17/39/52/381173952.db2.gz ILKMRMRGDUHKHL-IUODEOHRSA-N 1 1 285.391 2.624 20 30 CFEDMO C=C(C)CN1CCC([NH2+][C@H](CC)c2nccn2C)CC1 ZINC000182870610 381177782 /nfs/dbraw/zinc/17/77/82/381177782.db2.gz VXQNUDJWAORXMZ-OAHLLOKOSA-N 1 1 276.428 2.501 20 30 CFEDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCC1(F)F ZINC000289896796 381207711 /nfs/dbraw/zinc/20/77/11/381207711.db2.gz SHEHSCYGHWEIAJ-RISCZKNCSA-N 1 1 280.318 2.569 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000342129600 381212466 /nfs/dbraw/zinc/21/24/66/381212466.db2.gz CCWDMZSUWSKDKW-HOTGVXAUSA-N 1 1 278.440 2.944 20 30 CFEDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000347629442 381263094 /nfs/dbraw/zinc/26/30/94/381263094.db2.gz KONDABLQYMAOFR-INIZCTEOSA-N 1 1 299.418 2.605 20 30 CFEDMO N#Cc1ccc(OCC[N@H+]2CCCO[C@H]3CCC[C@H]32)cc1 ZINC000369464262 381266795 /nfs/dbraw/zinc/26/67/95/381266795.db2.gz DSEQZNFZUMQDEW-SJORKVTESA-N 1 1 286.375 2.580 20 30 CFEDMO N#Cc1ccc(F)c(C[N@H+]2CCCO[C@@H]3CCC[C@@H]32)c1 ZINC000369466130 381267158 /nfs/dbraw/zinc/26/71/58/381267158.db2.gz JEMOEYLLTHYUMW-JKSUJKDBSA-N 1 1 274.339 2.841 20 30 CFEDMO C=C1CC[NH+]([C@@H](C)C(=O)N(C)c2ccccc2)CC1 ZINC000342215149 381222257 /nfs/dbraw/zinc/22/22/57/381222257.db2.gz SAOAIIHAAAXVNS-AWEZNQCLSA-N 1 1 258.365 2.690 20 30 CFEDMO Cc1cc(C#N)cc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000342263411 381236169 /nfs/dbraw/zinc/23/61/69/381236169.db2.gz GDBGNOXZCLVCIE-INIZCTEOSA-N 1 1 284.407 2.938 20 30 CFEDMO C#CC[NH+]1CCC(c2nc(C(F)(F)F)cs2)CC1 ZINC000296073337 381244301 /nfs/dbraw/zinc/24/43/01/381244301.db2.gz CBADCOOFQQQQKM-UHFFFAOYSA-N 1 1 274.311 2.975 20 30 CFEDMO CCC[N@H+]1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000369386564 381248808 /nfs/dbraw/zinc/24/88/08/381248808.db2.gz TTWGDVSOKOKTJT-UHFFFAOYSA-N 1 1 278.787 2.529 20 30 CFEDMO C#Cc1ccc(C[N@H+](C)[C@@H](CO)c2ccc(OC)cc2)cc1 ZINC000290093860 381295846 /nfs/dbraw/zinc/29/58/46/381295846.db2.gz RLKACBWKPRGTPS-IBGZPJMESA-N 1 1 295.382 2.842 20 30 CFEDMO C=C(C)COc1cc(CN[C@@H](C)C[NH+](C)C)ccc1OC ZINC000290094892 381296003 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CC(C)[C@@]1(CO)CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000354564222 381340000 /nfs/dbraw/zinc/34/00/00/381340000.db2.gz KGHFTDDBRQZCFC-HNNXBMFYSA-N 1 1 278.421 2.850 20 30 CFEDMO Cc1cn2cc(Nc3nnc(C)c(C)c3C#N)ccc2[nH+]1 ZINC000342409011 381316302 /nfs/dbraw/zinc/31/63/02/381316302.db2.gz CKPIZYSKSIEMHL-UHFFFAOYSA-N 1 1 278.319 2.665 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+](C)C[C@@H](C)c1nccs1 ZINC000183956901 381345880 /nfs/dbraw/zinc/34/58/80/381345880.db2.gz CEIKSLRFVAPNRN-VXGBXAGGSA-N 1 1 254.399 2.506 20 30 CFEDMO CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000290289830 381370140 /nfs/dbraw/zinc/37/01/40/381370140.db2.gz XVIQNHJZZVNEEB-ZIAGYGMSSA-N 1 1 259.397 2.938 20 30 CFEDMO CC(C)N(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000290289830 381370144 /nfs/dbraw/zinc/37/01/44/381370144.db2.gz XVIQNHJZZVNEEB-ZIAGYGMSSA-N 1 1 259.397 2.938 20 30 CFEDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000290385664 381408047 /nfs/dbraw/zinc/40/80/47/381408047.db2.gz IKTZRBDUCYZNCG-MRXNPFEDSA-N 1 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ZINC000346490988 382384647 /nfs/dbraw/zinc/38/46/47/382384647.db2.gz LBWYPKKWGDRWJK-SJORKVTESA-N 1 1 286.375 2.501 20 30 CFEDMO N#Cc1ccc(C[NH2+][C@@H](CN)C2CCCCC2)cc1 ZINC000420366255 382387930 /nfs/dbraw/zinc/38/79/30/382387930.db2.gz LYFGGDXFJYUWPZ-INIZCTEOSA-N 1 1 257.381 2.555 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000305089525 382422873 /nfs/dbraw/zinc/42/28/73/382422873.db2.gz OZPXSAMPJQRBOX-RDJZCZTQSA-N 1 1 275.392 2.695 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000305089525 382422876 /nfs/dbraw/zinc/42/28/76/382422876.db2.gz OZPXSAMPJQRBOX-RDJZCZTQSA-N 1 1 275.392 2.695 20 30 CFEDMO C=CCC(CC=C)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000294136604 382429437 /nfs/dbraw/zinc/42/94/37/382429437.db2.gz MPUDCNXSXZKABL-QGZVFWFLSA-N 1 1 276.424 2.699 20 30 CFEDMO C[C@H](O)C[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000305199564 382434111 /nfs/dbraw/zinc/43/41/11/382434111.db2.gz AAJSXHHRIDGXNZ-ZFWWWQNUSA-N 1 1 277.795 2.927 20 30 CFEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@@H]1CCC[C@@H]1O ZINC000352657572 382435924 /nfs/dbraw/zinc/43/59/24/382435924.db2.gz GQXMWFPFTZLBDE-CVEARBPZSA-N 1 1 272.392 2.833 20 30 CFEDMO COc1cc(C[N@H+]2CC[C@H](SC)C2)ccc1C#N ZINC000294155306 382437454 /nfs/dbraw/zinc/43/74/54/382437454.db2.gz AHYBJHQHRXYXET-ZDUSSCGKSA-N 1 1 262.378 2.504 20 30 CFEDMO C=CC[C@H](C)NC(=O)[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000365531000 382408701 /nfs/dbraw/zinc/40/87/01/382408701.db2.gz BQAADKFOPMXEPI-LSDHHAIUSA-N 1 1 287.407 2.687 20 30 CFEDMO C=CC[C@H](C)NC(=O)[C@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000365530996 382409469 /nfs/dbraw/zinc/40/94/69/382409469.db2.gz BQAADKFOPMXEPI-GJZGRUSLSA-N 1 1 287.407 2.687 20 30 CFEDMO CC[N@H+]1CCc2c(cccc2NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000378172643 382412823 /nfs/dbraw/zinc/41/28/23/382412823.db2.gz IPHXYSKWBLZPJE-UHFFFAOYSA-N 1 1 294.358 2.517 20 30 CFEDMO CC1(CO)CC[NH+](CC#Cc2ccccc2Cl)CC1 ZINC000358036067 382420896 /nfs/dbraw/zinc/42/08/96/382420896.db2.gz QAXOEPCPDPJZHI-UHFFFAOYSA-N 1 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C=CC(C)(C)CCNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000637324214 384031666 /nfs/dbraw/zinc/03/16/66/384031666.db2.gz RAAZIUXCPMPWNE-AWEZNQCLSA-N 1 1 281.444 2.713 20 30 CFEDMO C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000637324215 384031910 /nfs/dbraw/zinc/03/19/10/384031910.db2.gz RAAZIUXCPMPWNE-CQSZACIVSA-N 1 1 281.444 2.713 20 30 CFEDMO C=CCOc1ccccc1C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000439767977 384037853 /nfs/dbraw/zinc/03/78/53/384037853.db2.gz PZZIEIQDFYCLCG-WKILWMFISA-N 1 1 275.392 2.987 20 30 CFEDMO COC(=O)c1cccc(C[N@H+](C)[C@H]2CC2(C)C)c1C#N ZINC000574461709 384099779 /nfs/dbraw/zinc/09/97/79/384099779.db2.gz UGSXZXSAKAXPQD-AWEZNQCLSA-N 1 1 272.348 2.575 20 30 CFEDMO COC(=O)c1cccc(C[N@@H+](C)[C@H]2CC2(C)C)c1C#N ZINC000574461709 384099786 /nfs/dbraw/zinc/09/97/86/384099786.db2.gz UGSXZXSAKAXPQD-AWEZNQCLSA-N 1 1 272.348 2.575 20 30 CFEDMO C=CCCC(C)(C)CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000637620686 384137824 /nfs/dbraw/zinc/13/78/24/384137824.db2.gz GREZELIHCWIQHB-HUUCEWRRSA-N 1 1 293.455 2.714 20 30 CFEDMO C=CCCC[C@H](C)n1cc(Cn2cc[nH+]c2C)nn1 ZINC000641234648 384142301 /nfs/dbraw/zinc/14/23/01/384142301.db2.gz HVWBLYQKGFVRBQ-LBPRGKRZSA-N 1 1 259.357 2.749 20 30 CFEDMO CCCn1cc[nH+]c1CCCN(C)c1cnccc1C#N ZINC000277231581 384237807 /nfs/dbraw/zinc/23/78/07/384237807.db2.gz SWKUZMPYEFNRAJ-UHFFFAOYSA-N 1 1 283.379 2.629 20 30 CFEDMO COc1ccc([C@@H](CO)[N@@H+](C)CCCC(C)(C)C#N)cc1 ZINC000266927273 384263348 /nfs/dbraw/zinc/26/33/48/384263348.db2.gz KYCWOAFHTJMUOC-MRXNPFEDSA-N 1 1 290.407 2.990 20 30 CFEDMO C=CCCC[N@H+](C)Cc1cccn(C(F)F)c1=O ZINC000638097916 384415481 /nfs/dbraw/zinc/41/54/81/384415481.db2.gz JEPWNMAMUNMWHR-UHFFFAOYSA-N 1 1 256.296 2.641 20 30 CFEDMO C#CC[NH+]1CCC(c2nc([C@H](C)SCC)no2)CC1 ZINC000277717356 384385427 /nfs/dbraw/zinc/38/54/27/384385427.db2.gz AMNWDNXRIOMJJX-NSHDSACASA-N 1 1 279.409 2.696 20 30 CFEDMO CCOc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352844273 220303062 /nfs/dbraw/zinc/30/30/62/220303062.db2.gz FHOKNQVBDFQCOI-UHFFFAOYSA-N 1 1 273.361 2.703 20 30 CFEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000289369561 197314923 /nfs/dbraw/zinc/31/49/23/197314923.db2.gz AQNBOEMXKZKSBU-JKSUJKDBSA-N 1 1 270.376 2.948 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000289351762 197308018 /nfs/dbraw/zinc/30/80/18/197308018.db2.gz XLYWUHNXUKGCPN-UHFFFAOYSA-N 1 1 255.361 2.670 20 30 CFEDMO Cc1c[nH+]ccc1OC1CCN(c2cnccc2C#N)CC1 ZINC000278447670 384577160 /nfs/dbraw/zinc/57/71/60/384577160.db2.gz LEUPTKRLNRSRRF-UHFFFAOYSA-N 1 1 294.358 2.705 20 30 CFEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCSC1 ZINC000278445962 384577536 /nfs/dbraw/zinc/57/75/36/384577536.db2.gz MKLOBNNBOOEJJC-MRXNPFEDSA-N 1 1 290.432 2.760 20 30 CFEDMO C=CC[NH+](CC=C)[C@H](CNCc1ccns1)C(C)C ZINC000638357823 384580873 /nfs/dbraw/zinc/58/08/73/384580873.db2.gz UXQHLDSOGVJMCZ-OAHLLOKOSA-N 1 1 279.453 2.931 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000279364699 384614355 /nfs/dbraw/zinc/61/43/55/384614355.db2.gz WOBXXXKOJXVVIW-KRWDZBQOSA-N 1 1 284.403 2.598 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000279364699 384614362 /nfs/dbraw/zinc/61/43/62/384614362.db2.gz WOBXXXKOJXVVIW-KRWDZBQOSA-N 1 1 284.403 2.598 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)COC(C)C ZINC000279379664 384620205 /nfs/dbraw/zinc/62/02/05/384620205.db2.gz SODPXWVPPYTRPX-KRWDZBQOSA-N 1 1 277.408 2.851 20 30 CFEDMO CC#CCC[N@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000680884707 542378486 /nfs/dbraw/zinc/37/84/86/542378486.db2.gz PGBKQIMNOQIMBA-KRWDZBQOSA-N 1 1 270.420 2.996 20 30 CFEDMO CC#CCCN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000680884707 542378488 /nfs/dbraw/zinc/37/84/88/542378488.db2.gz PGBKQIMNOQIMBA-KRWDZBQOSA-N 1 1 270.420 2.996 20 30 CFEDMO CC#CCCN1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000680884707 542378490 /nfs/dbraw/zinc/37/84/90/542378490.db2.gz PGBKQIMNOQIMBA-KRWDZBQOSA-N 1 1 270.420 2.996 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)ccc1F ZINC000268469106 384625098 /nfs/dbraw/zinc/62/50/98/384625098.db2.gz HHQVZHFTCHZTDP-SFHVURJKSA-N 1 1 296.345 2.789 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCc3ccccc3[C@@H]2CO)ccc1F ZINC000268469106 384625103 /nfs/dbraw/zinc/62/51/03/384625103.db2.gz HHQVZHFTCHZTDP-SFHVURJKSA-N 1 1 296.345 2.789 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000268531851 384630666 /nfs/dbraw/zinc/63/06/66/384630666.db2.gz FSQIENQIYAXPSK-HOTGVXAUSA-N 1 1 279.355 2.526 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000268531851 384630670 /nfs/dbraw/zinc/63/06/70/384630670.db2.gz FSQIENQIYAXPSK-HOTGVXAUSA-N 1 1 279.355 2.526 20 30 CFEDMO C=CCC[C@@H](C)[N@@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000680897885 542381743 /nfs/dbraw/zinc/38/17/43/542381743.db2.gz CMMYHRWYUZKMQU-CQSZACIVSA-N 1 1 258.365 2.690 20 30 CFEDMO C=CCC[C@@H](C)[N@H+]1CCN(c2ccccc2)C(=O)C1 ZINC000680897885 542381747 /nfs/dbraw/zinc/38/17/47/542381747.db2.gz CMMYHRWYUZKMQU-CQSZACIVSA-N 1 1 258.365 2.690 20 30 CFEDMO N#C[C@@H]1CC[C@H]([NH+]2CCN(c3ccccc3F)CC2)C1 ZINC000278786680 384597948 /nfs/dbraw/zinc/59/79/48/384597948.db2.gz ZYZMHZFIFIATBO-KGLIPLIRSA-N 1 1 273.355 2.640 20 30 CFEDMO CCC(N)=[NH+]OCC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000268647118 384642680 /nfs/dbraw/zinc/64/26/80/384642680.db2.gz PERPRRGEWZJVEV-ZDUSSCGKSA-N 1 1 297.424 2.650 20 30 CFEDMO CCC(N)=[NH+]OCC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000268652819 384644116 /nfs/dbraw/zinc/64/41/16/384644116.db2.gz QJZGSBMNBHADAU-SNVBAGLBSA-N 1 1 297.786 2.558 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000268655122 384644558 /nfs/dbraw/zinc/64/45/58/384644558.db2.gz PQXNPRMSZGIBRC-GFCCVEGCSA-N 1 1 255.308 2.724 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000268689604 384647898 /nfs/dbraw/zinc/64/78/98/384647898.db2.gz GYCCPTOWQLSUNY-MRXNPFEDSA-N 1 1 285.391 2.686 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000268688184 384648676 /nfs/dbraw/zinc/64/86/76/384648676.db2.gz ZFIAOYSUEMTYJI-HNNXBMFYSA-N 1 1 297.402 2.979 20 30 CFEDMO C=CCN1CCC([NH2+][C@H](C)c2csc(C)n2)CC1 ZINC000269424673 384758180 /nfs/dbraw/zinc/75/81/80/384758180.db2.gz NFEHBIAPGNVPQX-LLVKDONJSA-N 1 1 265.426 2.753 20 30 CFEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000269629792 384811264 /nfs/dbraw/zinc/81/12/64/384811264.db2.gz KXGPVKJGYZTPQS-UHFFFAOYSA-N 1 1 292.810 2.976 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](C)(O)CC1 ZINC000280035172 384858632 /nfs/dbraw/zinc/85/86/32/384858632.db2.gz LGRLBXPVQOQLLO-CZUORRHYSA-N 1 1 258.365 2.856 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@](C)(O)CC1 ZINC000280166066 384911083 /nfs/dbraw/zinc/91/10/83/384911083.db2.gz SGVZIVBLBGYGTP-BBRMVZONSA-N 1 1 258.365 2.856 20 30 CFEDMO CC(C)C[N@H+]1CCC[C@@H](CNc2cccc(C#N)n2)C1 ZINC000270017244 384943416 /nfs/dbraw/zinc/94/34/16/384943416.db2.gz CPSVSJDKXKDNTP-AWEZNQCLSA-N 1 1 272.396 2.733 20 30 CFEDMO C=CCCC[C@H](C)[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638837653 384970278 /nfs/dbraw/zinc/97/02/78/384970278.db2.gz WOLNAIDRUGTCQP-AWEZNQCLSA-N 1 1 268.445 2.556 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CC#N)cc1 ZINC000270250298 385030515 /nfs/dbraw/zinc/03/05/15/385030515.db2.gz UNPAWKJTYSXTHL-OAHLLOKOSA-N 1 1 299.418 2.747 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(CC#N)cc1 ZINC000270250296 385031819 /nfs/dbraw/zinc/03/18/19/385031819.db2.gz UNPAWKJTYSXTHL-HNNXBMFYSA-N 1 1 299.418 2.747 20 30 CFEDMO C[N@H+]1CC[C@H](Nc2ncccc2C#N)[C@H]1c1ccccc1 ZINC000270273853 385038802 /nfs/dbraw/zinc/03/88/02/385038802.db2.gz KVVPSKIGQSVFBE-JKSUJKDBSA-N 1 1 278.359 2.811 20 30 CFEDMO C=CCOc1ccc(C[N@H+](C)[C@@H](C)CO)cc1Cl ZINC000289179900 197254862 /nfs/dbraw/zinc/25/48/62/197254862.db2.gz AJTBPKCLTXXMOL-NSHDSACASA-N 1 1 269.772 2.717 20 30 CFEDMO C#CC[NH+]1CCC(c2nc([C@H]3CCC(F)(F)C3)no2)CC1 ZINC000281258631 385187421 /nfs/dbraw/zinc/18/74/21/385187421.db2.gz FBUUCBJQKSIFAP-LBPRGKRZSA-N 1 1 295.333 2.785 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1cccc2ncccc12 ZINC000639098405 385188125 /nfs/dbraw/zinc/18/81/25/385188125.db2.gz APUDXZYURQORPX-UHFFFAOYSA-N 1 1 256.349 2.869 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccn(C(F)F)c1=O ZINC000639112440 385207549 /nfs/dbraw/zinc/20/75/49/385207549.db2.gz QFXIXYURVQKOJN-LBPRGKRZSA-N 1 1 268.307 2.784 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](c3ccccc3)[C@H]2C)C1=O ZINC000282138818 385223089 /nfs/dbraw/zinc/22/30/89/385223089.db2.gz ZIWBHOGGSFFYOD-OIISXLGYSA-N 1 1 284.403 2.651 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1c2c(nn1C)CCCC2 ZINC000639110798 385203684 /nfs/dbraw/zinc/20/36/84/385203684.db2.gz CDBDVWDFFAPLNT-ZDUSSCGKSA-N 1 1 259.397 2.839 20 30 CFEDMO C=CCC[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000270967493 385286813 /nfs/dbraw/zinc/28/68/13/385286813.db2.gz PCXZZTNJYDFBLJ-CYBMUJFWSA-N 1 1 284.197 2.990 20 30 CFEDMO C#CCCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000270996910 385295963 /nfs/dbraw/zinc/29/59/63/385295963.db2.gz FQVXRHNIIUSPHL-KRWDZBQOSA-N 1 1 256.393 2.606 20 30 CFEDMO C#CC[N@H+](CC)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000271164449 385358961 /nfs/dbraw/zinc/35/89/61/385358961.db2.gz YVXSNEUGZUZFJP-UHFFFAOYSA-N 1 1 286.375 2.833 20 30 CFEDMO C#CCCC[N@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271068387 385328105 /nfs/dbraw/zinc/32/81/05/385328105.db2.gz VBLWROIFRZEBIT-SCLBCKFNSA-N 1 1 263.406 2.830 20 30 CFEDMO C#CC[N@H+](Cc1ccc(-c2cnn(C)c2)s1)C1CC1 ZINC000282834662 385396503 /nfs/dbraw/zinc/39/65/03/385396503.db2.gz QYDIKZFZNWGFOZ-UHFFFAOYSA-N 1 1 271.389 2.746 20 30 CFEDMO CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271938645 385405544 /nfs/dbraw/zinc/40/55/44/385405544.db2.gz ODUOAMWDGKHEMT-CHWSQXEVSA-N 1 1 275.371 2.690 20 30 CFEDMO CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(C#N)c(F)c2)C1 ZINC000271938645 385405548 /nfs/dbraw/zinc/40/55/48/385405548.db2.gz ODUOAMWDGKHEMT-CHWSQXEVSA-N 1 1 275.371 2.690 20 30 CFEDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000288905194 197189832 /nfs/dbraw/zinc/18/98/32/197189832.db2.gz SXBGLEYQVPGQPP-MRXNPFEDSA-N 1 1 276.355 2.682 20 30 CFEDMO CCCC[N@@H+](C)CC1CCN(c2ccnc(C#N)c2)CC1 ZINC000283663802 385486184 /nfs/dbraw/zinc/48/61/84/385486184.db2.gz WFRKHGAREFCREQ-UHFFFAOYSA-N 1 1 286.423 2.902 20 30 CFEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC000272301239 385502972 /nfs/dbraw/zinc/50/29/72/385502972.db2.gz GZXCZWXESLGBBC-CVEARBPZSA-N 1 1 272.392 2.787 20 30 CFEDMO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1cnccn1 ZINC000272317789 385509025 /nfs/dbraw/zinc/50/90/25/385509025.db2.gz VHWIGZCZSIJTMC-GFCCVEGCSA-N 1 1 264.332 2.688 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)CCc1cnccn1 ZINC000639461727 385544572 /nfs/dbraw/zinc/54/45/72/385544572.db2.gz VDCUGQFNXTVGAG-UHFFFAOYSA-N 1 1 267.376 2.750 20 30 CFEDMO COc1cc(C#N)ccc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000272606281 385574833 /nfs/dbraw/zinc/57/48/33/385574833.db2.gz WCEOECUMPFWFRP-HOCLYGCPSA-N 1 1 288.391 2.550 20 30 CFEDMO Cc1cc(C#N)nc(N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000286126276 385561992 /nfs/dbraw/zinc/56/19/92/385561992.db2.gz FLQRPTSXRRNPFZ-CVEARBPZSA-N 1 1 293.374 2.514 20 30 CFEDMO Cc1cc(C#N)nc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000286126287 385562076 /nfs/dbraw/zinc/56/20/76/385562076.db2.gz FLQRPTSXRRNPFZ-JKSUJKDBSA-N 1 1 293.374 2.514 20 30 CFEDMO C[C@@H](CNc1cc(C#N)ccn1)[N@H+]1CCc2ccccc2C1 ZINC000286184137 385568534 /nfs/dbraw/zinc/56/85/34/385568534.db2.gz QLQPOPNSAWLHIV-AWEZNQCLSA-N 1 1 292.386 2.812 20 30 CFEDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1CCCOc1cccc(C#N)c1 ZINC000272707161 385593285 /nfs/dbraw/zinc/59/32/85/385593285.db2.gz XGNNCKWWKHKKEQ-ZBFHGGJFSA-N 1 1 288.391 2.562 20 30 CFEDMO CCC[C@]1(CO)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000288756304 197159109 /nfs/dbraw/zinc/15/91/09/197159109.db2.gz IKONEUMZTQMMEL-KRWDZBQOSA-N 1 1 257.377 2.523 20 30 CFEDMO C=CCCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000286336503 385592785 /nfs/dbraw/zinc/59/27/85/385592785.db2.gz ZDEHRILATNXTEO-CQSZACIVSA-N 1 1 278.783 2.779 20 30 CFEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(C#N)ccn1 ZINC000286425769 385617951 /nfs/dbraw/zinc/61/79/51/385617951.db2.gz PNWREYKPWNFTQN-MJBXVCDLSA-N 1 1 272.396 2.732 20 30 CFEDMO CN(c1ccc(F)cc1C#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286549142 385646552 /nfs/dbraw/zinc/64/65/52/385646552.db2.gz ZYQINVCKKVJAPV-YIONKMFJSA-N 1 1 273.355 2.759 20 30 CFEDMO CN(CCC[N@@H+](C)Cc1ccco1)c1cnccc1C#N ZINC000286686299 385685952 /nfs/dbraw/zinc/68/59/52/385685952.db2.gz YQJLYLQWJYIMBN-UHFFFAOYSA-N 1 1 284.363 2.505 20 30 CFEDMO C#CC[N@H+](Cc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000274098319 385718365 /nfs/dbraw/zinc/71/83/65/385718365.db2.gz JIEJEPNYEJBXLE-UHFFFAOYSA-N 1 1 252.317 2.538 20 30 CFEDMO C=CCCC[N@H+](CCC(=O)OCC)Cc1cccnc1 ZINC000274067987 385711714 /nfs/dbraw/zinc/71/17/14/385711714.db2.gz BLGQQUMJKCCJAL-UHFFFAOYSA-N 1 1 276.380 2.803 20 30 CFEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1Cl)C1CC1 ZINC000274186984 385736018 /nfs/dbraw/zinc/73/60/18/385736018.db2.gz PPROMXFHCJKJGF-UHFFFAOYSA-N 1 1 276.767 2.766 20 30 CFEDMO C=C1CC[NH+](Cc2cc(-c3cnn(C)c3C)no2)CC1 ZINC000274355564 385774562 /nfs/dbraw/zinc/77/45/62/385774562.db2.gz UMJBRDCUOIPGNQ-UHFFFAOYSA-N 1 1 272.352 2.536 20 30 CFEDMO CC[C@H]1CCCC[N@H+]1CCNc1cc(C#N)ccn1 ZINC000287235879 385810409 /nfs/dbraw/zinc/81/04/09/385810409.db2.gz JIACMRYWVQXMBX-AWEZNQCLSA-N 1 1 258.369 2.630 20 30 CFEDMO C#C[C@@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)C(C)(C)C ZINC000287299220 385821438 /nfs/dbraw/zinc/82/14/38/385821438.db2.gz SNLNVYYBWJYSDB-CVEARBPZSA-N 1 1 284.403 2.644 20 30 CFEDMO C=C(C)CC[N@H+](C)Cc1ccc(OCC(=O)OC)cc1 ZINC000274861986 385886334 /nfs/dbraw/zinc/88/63/34/385886334.db2.gz IIPPKXMXWMZHFA-UHFFFAOYSA-N 1 1 277.364 2.636 20 30 CFEDMO C[N@H+](CCc1cnccn1)Cc1ccc(Cl)cc1C#N ZINC000274865293 385886667 /nfs/dbraw/zinc/88/66/67/385886667.db2.gz VLGCNDUCZQYFIE-UHFFFAOYSA-N 1 1 286.766 2.676 20 30 CFEDMO C[N@@H+](CCc1cnccn1)Cc1ccc(Cl)cc1C#N ZINC000274865293 385886671 /nfs/dbraw/zinc/88/66/71/385886671.db2.gz VLGCNDUCZQYFIE-UHFFFAOYSA-N 1 1 286.766 2.676 20 30 CFEDMO C[C@@H](C#N)C[N@H+](C[C@@H](O)CCc1ccccc1)C1CC1 ZINC000347488565 533150674 /nfs/dbraw/zinc/15/06/74/533150674.db2.gz NJASEPIUBQASAZ-YOEHRIQHSA-N 1 1 272.392 2.604 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](C[C@@H](O)CCc1ccccc1)C1CC1 ZINC000347488565 533150679 /nfs/dbraw/zinc/15/06/79/533150679.db2.gz NJASEPIUBQASAZ-YOEHRIQHSA-N 1 1 272.392 2.604 20 30 CFEDMO COC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000274811159 385876080 /nfs/dbraw/zinc/87/60/80/385876080.db2.gz VCGQUOAOINQIBB-NSHDSACASA-N 1 1 264.756 2.680 20 30 CFEDMO COC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000274811159 385876084 /nfs/dbraw/zinc/87/60/84/385876084.db2.gz VCGQUOAOINQIBB-NSHDSACASA-N 1 1 264.756 2.680 20 30 CFEDMO C=CC[C@H](C(=O)N1CC[NH+](CC)CC1)c1ccccc1 ZINC000275119663 385938739 /nfs/dbraw/zinc/93/87/39/385938739.db2.gz OXHATWFDMZKZMY-INIZCTEOSA-N 1 1 272.392 2.510 20 30 CFEDMO C=CC[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000275157581 385947117 /nfs/dbraw/zinc/94/71/17/385947117.db2.gz PITKQWMSMWZWQG-IRXDYDNUSA-N 1 1 286.419 2.899 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)c(C)c2)C1=O ZINC000281291941 195184260 /nfs/dbraw/zinc/18/42/60/195184260.db2.gz PEPYFMFQBQLSKM-MRXNPFEDSA-N 1 1 272.392 2.522 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2)C1=O ZINC000281313437 195192091 /nfs/dbraw/zinc/19/20/91/195192091.db2.gz QPSBMCRKNZJFGW-AWEZNQCLSA-N 1 1 278.783 2.559 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCCO1 ZINC000281344782 195204125 /nfs/dbraw/zinc/20/41/25/195204125.db2.gz SYIDNDYDSKMDRN-LLVKDONJSA-N 1 1 250.367 2.621 20 30 CFEDMO C=CC[C@H](C(=O)N1CC[N@H+](CC)[C@H](C)C1)c1ccccc1 ZINC000681738131 542483280 /nfs/dbraw/zinc/48/32/80/542483280.db2.gz GEYVQNLPTDGOIP-WBVHZDCISA-N 1 1 286.419 2.899 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682041670 542508788 /nfs/dbraw/zinc/50/87/88/542508788.db2.gz MKBXLGAQBYJQAT-LLVKDONJSA-N 1 1 251.292 2.996 20 30 CFEDMO C=C(CC)C[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682039076 542509811 /nfs/dbraw/zinc/50/98/11/542509811.db2.gz FYLYSMNFPXEVGE-LLVKDONJSA-N 1 1 251.292 2.996 20 30 CFEDMO CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)N(CC)C[C@@H](C)C#N)C1CC1 ZINC000111226982 262258238 /nfs/dbraw/zinc/25/82/38/262258238.db2.gz PWFRKVMKPDOKFJ-SOUVJXGZSA-N 1 1 293.455 2.894 20 30 CFEDMO CS[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1N(C)C ZINC000336806115 262395371 /nfs/dbraw/zinc/39/53/71/262395371.db2.gz GUGAMTCXWBGXQV-ZIAGYGMSSA-N 1 1 283.485 2.684 20 30 CFEDMO CS[C@@H]1CN(CCCCC(C)(C)C#N)C[C@H]1[NH+](C)C ZINC000336806115 262395373 /nfs/dbraw/zinc/39/53/73/262395373.db2.gz GUGAMTCXWBGXQV-ZIAGYGMSSA-N 1 1 283.485 2.684 20 30 CFEDMO CC[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)CCCO1 ZINC000281562846 195289673 /nfs/dbraw/zinc/28/96/73/195289673.db2.gz YJFSEYAXPQDGOY-INIZCTEOSA-N 1 1 288.391 2.828 20 30 CFEDMO N#Cc1ccccc1OCC[N@@H+]1CCCCC[C@H]1CCO ZINC000342061222 130229556 /nfs/dbraw/zinc/22/95/56/130229556.db2.gz ITNMRYUZJXVREP-INIZCTEOSA-N 1 1 288.391 2.564 20 30 CFEDMO N#Cc1ccc(OCC[N@@H+]2CCCCC[C@H]2CCO)cc1 ZINC000342061673 130229771 /nfs/dbraw/zinc/22/97/71/130229771.db2.gz MLXNFGICHPJMCG-INIZCTEOSA-N 1 1 288.391 2.564 20 30 CFEDMO C=CC[N@@H+](CCOC)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000683001671 542625365 /nfs/dbraw/zinc/62/53/65/542625365.db2.gz XKHWJPSGWYUBFF-ZDUSSCGKSA-N 1 1 291.391 2.653 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000683001671 542625366 /nfs/dbraw/zinc/62/53/66/542625366.db2.gz XKHWJPSGWYUBFF-ZDUSSCGKSA-N 1 1 291.391 2.653 20 30 CFEDMO Cc1cc(NC(=O)Cc2ccc(C#N)cc2)cn2cc[nH+]c12 ZINC000355394309 130299273 /nfs/dbraw/zinc/29/92/73/130299273.db2.gz ASANELRCQNFKMP-UHFFFAOYSA-N 1 1 290.326 2.696 20 30 CFEDMO N#Cc1ccc2ncc(C[N@@H+](CC3CC3)C3CCC3)n2c1 ZINC000355674146 130331221 /nfs/dbraw/zinc/33/12/21/130331221.db2.gz BUEYNPSOOQAPFW-UHFFFAOYSA-N 1 1 280.375 2.970 20 30 CFEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1ccc(Cl)c(C#N)n1 ZINC000342246686 130370455 /nfs/dbraw/zinc/37/04/55/130370455.db2.gz KYBLYHQRMGRLSL-RNCFNFMXSA-N 1 1 276.771 2.501 20 30 CFEDMO Cc1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)cc(C#N)n1 ZINC000342294802 130423526 /nfs/dbraw/zinc/42/35/26/130423526.db2.gz NESBKQUMZGQEKU-HNNXBMFYSA-N 1 1 272.396 2.572 20 30 CFEDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)cc1[N+](=O)[O-] ZINC000178685133 393447660 /nfs/dbraw/zinc/44/76/60/393447660.db2.gz QUQFIRDZSJEJGQ-CHWSQXEVSA-N 1 1 286.335 2.997 20 30 CFEDMO COc1ccc(CO[NH+]=C(N)C2CCCC2)cc1C#N ZINC000178927100 393449202 /nfs/dbraw/zinc/44/92/02/393449202.db2.gz PTPQULBUEQXPCG-UHFFFAOYSA-N 1 1 273.336 2.546 20 30 CFEDMO C=CCCC[N@@H+]1C[C@@H](OC)C[C@@H]1c1nc(C2CC2)no1 ZINC000372462532 393450137 /nfs/dbraw/zinc/45/01/37/393450137.db2.gz CWPPFDJGVYBNDZ-QWHCGFSZSA-N 1 1 277.368 2.675 20 30 CFEDMO C=CCCC[N@H+]1C[C@@H](OC)C[C@@H]1c1nc(C2CC2)no1 ZINC000372462532 393450143 /nfs/dbraw/zinc/45/01/43/393450143.db2.gz CWPPFDJGVYBNDZ-QWHCGFSZSA-N 1 1 277.368 2.675 20 30 CFEDMO Cc1[nH+]ccn1-c1ccc(NC(=O)C2(C#N)CCCC2)cn1 ZINC000372619903 393452772 /nfs/dbraw/zinc/45/27/72/393452772.db2.gz LJUUBTPEMTUFAE-UHFFFAOYSA-N 1 1 295.346 2.598 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@H](c2ccnc(COC)n2)C1 ZINC000372654179 393453818 /nfs/dbraw/zinc/45/38/18/393453818.db2.gz GVJFLZKKZKXEKY-AWEZNQCLSA-N 1 1 275.396 2.769 20 30 CFEDMO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000372676686 393454070 /nfs/dbraw/zinc/45/40/70/393454070.db2.gz RDDFVIKQIFNKJD-ZUKISOHSSA-N 1 1 295.430 2.683 20 30 CFEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000372676686 393454076 /nfs/dbraw/zinc/45/40/76/393454076.db2.gz RDDFVIKQIFNKJD-ZUKISOHSSA-N 1 1 295.430 2.683 20 30 CFEDMO C[N@@H+](CC#Cc1ccccc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000373817585 393473642 /nfs/dbraw/zinc/47/36/42/393473642.db2.gz AVGIDRKKHNOXAG-BRWVUGGUSA-N 1 1 269.388 2.783 20 30 CFEDMO CC(C)(C#N)CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373837910 393474785 /nfs/dbraw/zinc/47/47/85/393474785.db2.gz UXTLIUJZKMHZPW-INIZCTEOSA-N 1 1 299.418 2.565 20 30 CFEDMO C[C@@H]1C[C@]2(CCO1)C[N@H+](CCCC(C)(C)C#N)C[C@H](C)O2 ZINC000373975053 393477226 /nfs/dbraw/zinc/47/72/26/393477226.db2.gz TWUXCYCIAAPDBE-HLLBOEOZSA-N 1 1 294.439 2.975 20 30 CFEDMO CCc1nn(C)cc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000329532468 393541410 /nfs/dbraw/zinc/54/14/10/393541410.db2.gz XHUWZJXBVSLVIM-GFCCVEGCSA-N 1 1 278.400 2.835 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1[C@@H](C)O ZINC000186223953 393542289 /nfs/dbraw/zinc/54/22/89/393542289.db2.gz ALHJHCKRKZOMRF-CJNGLKHVSA-N 1 1 258.365 2.602 20 30 CFEDMO C=C(C)COc1cc(C[N@H+]2CCCOCC2)ccc1OC ZINC000374303643 393492636 /nfs/dbraw/zinc/49/26/36/393492636.db2.gz WIBMHUPYNVHDAZ-UHFFFAOYSA-N 1 1 291.391 2.872 20 30 CFEDMO CCCCC[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000374354466 393493439 /nfs/dbraw/zinc/49/34/39/393493439.db2.gz UIXGODPAHHUHIE-SUMWQHHRSA-N 1 1 283.375 2.522 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000302845350 393495126 /nfs/dbraw/zinc/49/51/26/393495126.db2.gz DBWLKGNSKJQHDX-HZPDHXFCSA-N 1 1 276.424 2.842 20 30 CFEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)cc1 ZINC000374469292 393496852 /nfs/dbraw/zinc/49/68/52/393496852.db2.gz PHULQVRBMHEHQE-XJKSGUPXSA-N 1 1 295.386 2.630 20 30 CFEDMO C[N@@H+](CCO)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000303396704 393496994 /nfs/dbraw/zinc/49/69/94/393496994.db2.gz IBPSZPGMWGTCSP-UHFFFAOYSA-N 1 1 266.344 2.649 20 30 CFEDMO CN(CCC#N)C(=O)CC[N@@H+](C)C1CC(c2ccccc2)C1 ZINC000374501162 393498074 /nfs/dbraw/zinc/49/80/74/393498074.db2.gz GSAFFZTVUSDKQR-UHFFFAOYSA-N 1 1 299.418 2.627 20 30 CFEDMO C=CC[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000304118672 393498523 /nfs/dbraw/zinc/49/85/23/393498523.db2.gz PNKKXKSBARPZHA-LBPRGKRZSA-N 1 1 289.297 2.563 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCOCC12CCC2 ZINC000186310376 393543970 /nfs/dbraw/zinc/54/39/70/393543970.db2.gz ASQHASXAVNJYKB-UHFFFAOYSA-N 1 1 256.349 2.622 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCOCC12CCC2 ZINC000186310376 393543975 /nfs/dbraw/zinc/54/39/75/393543975.db2.gz ASQHASXAVNJYKB-UHFFFAOYSA-N 1 1 256.349 2.622 20 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OAKMYQWNGBXJAS-UTUOFQBUSA-N 1 1 291.420 2.925 20 30 CFEDMO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)[C@@H]1CO ZINC000360146126 156033517 /nfs/dbraw/zinc/03/35/17/156033517.db2.gz AAVGQRXFOOTPMN-IAQYHMDHSA-N 1 1 278.783 2.804 20 30 CFEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)[C@@H]1CO ZINC000360146126 156033520 /nfs/dbraw/zinc/03/35/20/156033520.db2.gz AAVGQRXFOOTPMN-IAQYHMDHSA-N 1 1 278.783 2.804 20 30 CFEDMO N#Cc1cccc([C@H]2C[N@H+](CCc3ccncc3)CCO2)c1 ZINC000363148129 156152837 /nfs/dbraw/zinc/15/28/37/156152837.db2.gz GICUHJSZNAUONT-GOSISDBHSA-N 1 1 293.370 2.569 20 30 CFEDMO N#Cc1cccc([C@H]2C[N@@H+](CCc3ccncc3)CCO2)c1 ZINC000363148129 156152840 /nfs/dbraw/zinc/15/28/40/156152840.db2.gz GICUHJSZNAUONT-GOSISDBHSA-N 1 1 293.370 2.569 20 30 CFEDMO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H]3C3CC3)o2)cc1 ZINC000363573742 156183420 /nfs/dbraw/zinc/18/34/20/156183420.db2.gz WHYWJPVPULREGO-OAHLLOKOSA-N 1 1 294.358 2.983 20 30 CFEDMO N#Cc1ccc(F)c(C[N@H+]2CCCO[C@@H]3CCC[C@H]32)c1 ZINC000367163199 156291334 /nfs/dbraw/zinc/29/13/34/156291334.db2.gz JEMOEYLLTHYUMW-HZPDHXFCSA-N 1 1 274.339 2.841 20 30 CFEDMO Cn1cc(CNc2[nH+]cccc2N2CCCCC2)cc1C#N ZINC000367544624 156347637 /nfs/dbraw/zinc/34/76/37/156347637.db2.gz NYCZBQDSGNMBJU-UHFFFAOYSA-N 1 1 295.390 2.894 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000373819274 157034327 /nfs/dbraw/zinc/03/43/27/157034327.db2.gz WWMZVNTXHVNXMU-BMFZPTHFSA-N 1 1 288.366 2.943 20 30 CFEDMO COc1cc(CN[C@@H]2CC[N@H+](C3CCCC3)C2)ccc1C#N ZINC000374134231 157072555 /nfs/dbraw/zinc/07/25/55/157072555.db2.gz ABVQDIVRCBPWGI-MRXNPFEDSA-N 1 1 299.418 2.673 20 30 CFEDMO COc1cc(C[NH2+][C@@H]2CCN(C3CCCC3)C2)ccc1C#N ZINC000374134231 157072558 /nfs/dbraw/zinc/07/25/58/157072558.db2.gz ABVQDIVRCBPWGI-MRXNPFEDSA-N 1 1 299.418 2.673 20 30 CFEDMO CO[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)CC1 ZINC000374675432 157146496 /nfs/dbraw/zinc/14/64/96/157146496.db2.gz DCUGMKJZFRZIKA-AWEZNQCLSA-N 1 1 262.328 2.698 20 30 CFEDMO COC[C@@H]1CCCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000375105682 157197103 /nfs/dbraw/zinc/19/71/03/157197103.db2.gz OHJOGUPDXOZUQD-CQSZACIVSA-N 1 1 258.365 2.807 20 30 CFEDMO N#Cc1c(C[N@H+]2CCC[C@]23CCOC3)cn2ccccc12 ZINC000375278297 157216950 /nfs/dbraw/zinc/21/69/50/157216950.db2.gz KWKXMJJHCOMFER-QGZVFWFLSA-N 1 1 281.359 2.566 20 30 CFEDMO N#Cc1cccc(C#N)c1N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000375512185 157251919 /nfs/dbraw/zinc/25/19/19/157251919.db2.gz HOIVGOXDMROBPS-HNNXBMFYSA-N 1 1 280.375 2.859 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2CC(C)C)nn1 ZINC000653527117 413351148 /nfs/dbraw/zinc/35/11/48/413351148.db2.gz YMVTVBKMNJPZBX-OAHLLOKOSA-N 1 1 262.401 2.865 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)nn1 ZINC000653558985 413370173 /nfs/dbraw/zinc/37/01/73/413370173.db2.gz AXOQWHKGSXQEAR-QGZVFWFLSA-N 1 1 296.418 2.919 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)nn1 ZINC000653567547 413372987 /nfs/dbraw/zinc/37/29/87/413372987.db2.gz OLVYRFHNTGFIDL-GJZGRUSLSA-N 1 1 292.452 2.714 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)nn1 ZINC000653567547 413372996 /nfs/dbraw/zinc/37/29/96/413372996.db2.gz OLVYRFHNTGFIDL-GJZGRUSLSA-N 1 1 292.452 2.714 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](C)C[C@H](C)C2)nn1 ZINC000653588855 413387862 /nfs/dbraw/zinc/38/78/62/413387862.db2.gz MMWWEKSRKRQHGL-KBPBESRZSA-N 1 1 262.401 2.722 20 30 CFEDMO C=CCCn1cc(C[NH2+]C(C)(C)c2cccs2)nn1 ZINC000653615488 413403370 /nfs/dbraw/zinc/40/33/70/413403370.db2.gz KQGWIADVJMWQOG-UHFFFAOYSA-N 1 1 276.409 2.941 20 30 CFEDMO Cc1cccc(C)c1[NH+]=C([O-])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000330232938 292436581 /nfs/dbraw/zinc/43/65/81/292436581.db2.gz FSFUTKAKIYSTTG-CYBMUJFWSA-N 1 1 284.363 2.841 20 30 CFEDMO C=CCCn1cc(C[N@H+](CC2CCC2)C(C)C)nn1 ZINC000653647024 413426498 /nfs/dbraw/zinc/42/64/98/413426498.db2.gz SALGWFAARWHWGN-UHFFFAOYSA-N 1 1 262.401 2.865 20 30 CFEDMO C=CCCn1cc(C[NH2+]Cc2cccc(OCC)c2)nn1 ZINC000657312793 413433824 /nfs/dbraw/zinc/43/38/24/413433824.db2.gz DFPHDKNBRDWGAL-UHFFFAOYSA-N 1 1 286.379 2.543 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(c2ccc(Cl)c(C#N)n2)C[C@@H]1C ZINC000345168402 162192206 /nfs/dbraw/zinc/19/22/06/162192206.db2.gz FNVLTIOPDXQHGJ-QWRGUYRKSA-N 1 1 278.787 2.526 20 30 CFEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(F)c1C#N ZINC000345503366 162259107 /nfs/dbraw/zinc/25/91/07/162259107.db2.gz OYOYRPFIQBOQGD-GFCCVEGCSA-N 1 1 291.370 2.548 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000346202300 162352054 /nfs/dbraw/zinc/35/20/54/162352054.db2.gz YFQIXUWNIATLNE-OLZOCXBDSA-N 1 1 275.371 2.612 20 30 CFEDMO C=C[C@@H](C)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000653691753 413448784 /nfs/dbraw/zinc/44/87/84/413448784.db2.gz QHLXZVNWIHPKFK-MFKMUULPSA-N 1 1 266.772 2.633 20 30 CFEDMO C[C@@H](C[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000351600897 163153947 /nfs/dbraw/zinc/15/39/47/163153947.db2.gz ZGLRUPAJGXZAPG-ZDUSSCGKSA-N 1 1 288.391 2.968 20 30 CFEDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2cccc(C#N)c2)C1 ZINC000351644979 163166176 /nfs/dbraw/zinc/16/61/76/163166176.db2.gz BPAMLQIIWVJPOL-CJNGLKHVSA-N 1 1 258.365 2.541 20 30 CFEDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cccc(C#N)c4F)[C@H]1[C@H]3C2 ZINC000352675418 163221598 /nfs/dbraw/zinc/22/15/98/163221598.db2.gz DWFVQRBMRKTJGD-CUINURIISA-N 1 1 286.350 2.553 20 30 CFEDMO C[C@H]1CCC[N@H+](C(C)(C)CNCc2nc(C#N)cs2)C1 ZINC000352844843 163250778 /nfs/dbraw/zinc/25/07/78/163250778.db2.gz HBWQMZWOTQWYLO-LBPRGKRZSA-N 1 1 292.452 2.615 20 30 CFEDMO C[C@H]1CCCN(C(C)(C)C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000352844843 163250779 /nfs/dbraw/zinc/25/07/79/163250779.db2.gz HBWQMZWOTQWYLO-LBPRGKRZSA-N 1 1 292.452 2.615 20 30 CFEDMO COc1ccc(C[N@H+]2CC[C@@H](COC(F)F)C2)cc1C#N ZINC000353017334 163289038 /nfs/dbraw/zinc/28/90/38/163289038.db2.gz BWWABELSKVJXTF-GFCCVEGCSA-N 1 1 296.317 2.628 20 30 CFEDMO COc1cc(C[NH2+][C@@H](c2nccn2C)C2CC2)ccc1C#N ZINC000353038324 163294758 /nfs/dbraw/zinc/29/47/58/163294758.db2.gz MIQKLPDUWWLWKY-MRXNPFEDSA-N 1 1 296.374 2.541 20 30 CFEDMO Cc1cc(C[NH2+][C@H](c2nccn2C)C2CC2)ccc1C#N ZINC000353045104 163296139 /nfs/dbraw/zinc/29/61/39/163296139.db2.gz HDGMPYCCBLWUGZ-INIZCTEOSA-N 1 1 280.375 2.841 20 30 CFEDMO C=C(C[NH2+]Cc1cn(C2CCC2)nn1)c1ccccc1 ZINC000657334326 413459332 /nfs/dbraw/zinc/45/93/32/413459332.db2.gz VVQUWWOXOJNHOB-UHFFFAOYSA-N 1 1 268.364 2.806 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285332785 287131286 /nfs/dbraw/zinc/13/12/86/287131286.db2.gz OBPIJPXHXSHVIC-YOEHRIQHSA-N 1 1 286.375 2.501 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000285332785 287131292 /nfs/dbraw/zinc/13/12/92/287131292.db2.gz OBPIJPXHXSHVIC-YOEHRIQHSA-N 1 1 286.375 2.501 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(F)(C#N)CC1 ZINC000352484294 287141983 /nfs/dbraw/zinc/14/19/83/287141983.db2.gz NLRTZWXOHCSQHF-LBPRGKRZSA-N 1 1 257.312 2.947 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCCCCF)c1 ZINC000284196363 196000075 /nfs/dbraw/zinc/00/00/75/196000075.db2.gz SDAFVORYOCAANU-UHFFFAOYSA-N 1 1 276.355 2.678 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284723391 196119291 /nfs/dbraw/zinc/11/92/91/196119291.db2.gz JVQXJMJLDWKYGX-HZPDHXFCSA-N 1 1 256.349 2.702 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000021364968 171303745 /nfs/dbraw/zinc/30/37/45/171303745.db2.gz DQPQVCQXTXOUFT-TXEJJXNPSA-N 1 1 291.420 2.926 20 30 CFEDMO C=CCCn1cc(C[N@H+](CC)C2CC(C)(C)C2)nn1 ZINC000653762476 413486867 /nfs/dbraw/zinc/48/68/67/413486867.db2.gz CTMCGURWCVJGAG-UHFFFAOYSA-N 1 1 262.401 2.865 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CCSC3(CCC3)CC2)nn1 ZINC000653761347 413487321 /nfs/dbraw/zinc/48/73/21/413487321.db2.gz WKNMXJDRRBVXNR-UHFFFAOYSA-N 1 1 292.452 2.716 20 30 CFEDMO C=CC[C@@H](C)NC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000660681623 413495422 /nfs/dbraw/zinc/49/54/22/413495422.db2.gz RXBJCOQDQXKVIA-GDBMZVCRSA-N 1 1 287.407 2.525 20 30 CFEDMO C=CCC[C@@H](CO)Nc1[nH+]ccc2c(N)cccc21 ZINC000663988936 413496372 /nfs/dbraw/zinc/49/63/72/413496372.db2.gz CBAGAFJQFVWVBM-NSHDSACASA-N 1 1 257.337 2.556 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000285221742 196224573 /nfs/dbraw/zinc/22/45/73/196224573.db2.gz RTZTWHFSUSHRGD-QZTJIDSGSA-N 1 1 285.387 2.842 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000285221748 196225312 /nfs/dbraw/zinc/22/53/12/196225312.db2.gz RTZTWHFSUSHRGD-ROUUACIJSA-N 1 1 285.387 2.842 20 30 CFEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000285293665 196243998 /nfs/dbraw/zinc/24/39/98/196243998.db2.gz KNCOFHBUQKDEQD-KRWDZBQOSA-N 1 1 294.354 2.974 20 30 CFEDMO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(CCCOC)CC2)C1 ZINC000651695683 413573452 /nfs/dbraw/zinc/57/34/52/413573452.db2.gz ULCBLISACXPUKI-NVXWUHKLSA-N 1 1 280.456 2.822 20 30 CFEDMO C=CCC1(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCCC1 ZINC000664181771 413624733 /nfs/dbraw/zinc/62/47/33/413624733.db2.gz LHJUIOUSNABYQG-OAHLLOKOSA-N 1 1 291.439 2.659 20 30 CFEDMO C=CCOc1ccc(C[NH2+]Cc2nc(C)c[nH]2)cc1 ZINC000657460272 413633549 /nfs/dbraw/zinc/63/35/49/413633549.db2.gz BLRRJSVAYWOZLD-UHFFFAOYSA-N 1 1 257.337 2.573 20 30 CFEDMO C=CCCC(C)(C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000664216614 413639896 /nfs/dbraw/zinc/63/98/96/413639896.db2.gz IMRLMXQXJKVYCU-STQMWFEESA-N 1 1 267.417 2.513 20 30 CFEDMO CC#CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285415354 196277987 /nfs/dbraw/zinc/27/79/87/196277987.db2.gz BPFMNNNSWWELPN-BRWVUGGUSA-N 1 1 255.361 2.514 20 30 CFEDMO C=CC[C@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](CCC)C2)C1 ZINC000660840298 413609021 /nfs/dbraw/zinc/60/90/21/413609021.db2.gz ILLPYBFPCFUPRO-JKSUJKDBSA-N 1 1 293.455 2.716 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC[N@H+](C)CCCC ZINC000660850953 413616592 /nfs/dbraw/zinc/61/65/92/413616592.db2.gz SFWWVMBNPRHJGT-GASCZTMLSA-N 1 1 279.428 2.611 20 30 CFEDMO C=CCC1(NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CCCC1 ZINC000664368486 413714616 /nfs/dbraw/zinc/71/46/16/413714616.db2.gz SNHAVGVKGQDFAR-UONOGXRCSA-N 1 1 291.439 2.800 20 30 CFEDMO Cn1nccc1C1=CC[N@H+](Cc2ccccc2C#N)CC1 ZINC000285485595 196300306 /nfs/dbraw/zinc/30/03/06/196300306.db2.gz DDPHDDRXGNQYFB-UHFFFAOYSA-N 1 1 278.359 2.581 20 30 CFEDMO Cn1nccc1C1=CC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000285485595 196300308 /nfs/dbraw/zinc/30/03/08/196300308.db2.gz DDPHDDRXGNQYFB-UHFFFAOYSA-N 1 1 278.359 2.581 20 30 CFEDMO CCC(=O)CCC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000661197311 413816331 /nfs/dbraw/zinc/81/63/31/413816331.db2.gz XBCDAOQHEADMGJ-UHFFFAOYSA-N 1 1 291.420 2.501 20 30 CFEDMO C=CC[N@@H+](C[C@@H](Cc1ccccc1)OC)[C@@H](C)COC ZINC000661241397 413839864 /nfs/dbraw/zinc/83/98/64/413839864.db2.gz XJSFGFXOYBOQET-DOTOQJQBSA-N 1 1 277.408 2.767 20 30 CFEDMO C=CC[N@@H+](Cc1cnn(C(C)(C)C)c1)[C@@H](C)COC ZINC000661240750 413840182 /nfs/dbraw/zinc/84/01/82/413840182.db2.gz TVSOZJGLBIMHDZ-ZDUSSCGKSA-N 1 1 265.401 2.661 20 30 CFEDMO C=CCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000654382811 413840346 /nfs/dbraw/zinc/84/03/46/413840346.db2.gz ZXQSOILPUCAWDC-CABCVRRESA-N 1 1 279.428 2.659 20 30 CFEDMO C=CC[N@@H+](C[C@H](OC)c1ccccc1)[C@@H](C)COC ZINC000661239177 413841116 /nfs/dbraw/zinc/84/11/16/413841116.db2.gz CFDALLUONUSMJB-HOCLYGCPSA-N 1 1 263.381 2.897 20 30 CFEDMO C=CC[N@@H+](C[C@H](OC)c1ccccc1)[C@H](C)COC ZINC000661239179 413841157 /nfs/dbraw/zinc/84/11/57/413841157.db2.gz CFDALLUONUSMJB-ZBFHGGJFSA-N 1 1 263.381 2.897 20 30 CFEDMO C=CC[N@H+](CCC(=O)c1ccc(F)cc1)[C@H](C)COC ZINC000661238950 413841908 /nfs/dbraw/zinc/84/19/08/413841908.db2.gz AKVLTKNQVDAFKT-CYBMUJFWSA-N 1 1 279.355 2.921 20 30 CFEDMO C=CC[N@H+](CCOCC1CCCC1)[C@@H](C)COC ZINC000661239298 413842085 /nfs/dbraw/zinc/84/20/85/413842085.db2.gz DXPKGKHZZPXNHE-AWEZNQCLSA-N 1 1 255.402 2.716 20 30 CFEDMO C=CC[N@@H+](Cc1c(C)onc1CC)[C@@H](C)COC ZINC000661242185 413844536 /nfs/dbraw/zinc/84/45/36/413844536.db2.gz IAQWLOLRUFYSAK-NSHDSACASA-N 1 1 252.358 2.568 20 30 CFEDMO C=CC[N@H+](Cc1c(C)onc1CC)[C@@H](C)COC ZINC000661242185 413844543 /nfs/dbraw/zinc/84/45/43/413844543.db2.gz IAQWLOLRUFYSAK-NSHDSACASA-N 1 1 252.358 2.568 20 30 CFEDMO C=CC[N@H+](CC(=O)N(C)CC1CCCCC1)[C@@H](C)COC ZINC000661244136 413847868 /nfs/dbraw/zinc/84/78/68/413847868.db2.gz QPPRCWRDLUMUCJ-HNNXBMFYSA-N 1 1 296.455 2.548 20 30 CFEDMO C=CC[N@@H+](CC(=O)N(C)CC1CCCCC1)[C@@H](C)COC ZINC000661244136 413847873 /nfs/dbraw/zinc/84/78/73/413847873.db2.gz QPPRCWRDLUMUCJ-HNNXBMFYSA-N 1 1 296.455 2.548 20 30 CFEDMO C=CC[N@H+](CC(=O)N(C)C1CCC(C)CC1)[C@@H](C)COC ZINC000661246130 413849570 /nfs/dbraw/zinc/84/95/70/413849570.db2.gz HSZKXFZLSCTDJD-PCKAHOCUSA-N 1 1 296.455 2.546 20 30 CFEDMO C=CC[N@@H+](CC(=O)N(C)C1CCC(C)CC1)[C@@H](C)COC ZINC000661246130 413849581 /nfs/dbraw/zinc/84/95/81/413849581.db2.gz HSZKXFZLSCTDJD-PCKAHOCUSA-N 1 1 296.455 2.546 20 30 CFEDMO C=CC(C)(C)CNC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654580996 413915689 /nfs/dbraw/zinc/91/56/89/413915689.db2.gz NLTDUGBSIQOTMW-ZIAGYGMSSA-N 1 1 279.428 2.515 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](CC(=O)NC(C)(C)CC)C1 ZINC000661377754 413936050 /nfs/dbraw/zinc/93/60/50/413936050.db2.gz 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N#Cc1csc(C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)n1 ZINC000584142229 325333069 /nfs/dbraw/zinc/33/30/69/325333069.db2.gz NDEAALHPNGRMKT-CJNGLKHVSA-N 1 1 299.399 2.882 20 30 CFEDMO C=CCNC(=O)C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000186887729 326813043 /nfs/dbraw/zinc/81/30/43/326813043.db2.gz IKFNVINKFZLXSC-UHFFFAOYSA-N 1 1 284.762 2.606 20 30 CFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000576000133 327007553 /nfs/dbraw/zinc/00/75/53/327007553.db2.gz VSPDTBRDEXIFAO-ZDUSSCGKSA-N 1 1 278.421 2.603 20 30 CFEDMO N#CCSCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000074981565 327122895 /nfs/dbraw/zinc/12/28/95/327122895.db2.gz SOLRVURQEMREAR-HNNXBMFYSA-N 1 1 294.395 2.846 20 30 CFEDMO N#CCSCCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000074981565 327122897 /nfs/dbraw/zinc/12/28/97/327122897.db2.gz SOLRVURQEMREAR-HNNXBMFYSA-N 1 1 294.395 2.846 20 30 CFEDMO Cc1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)cn1 ZINC000569357885 327162801 /nfs/dbraw/zinc/16/28/01/327162801.db2.gz QALYNXKRLNLANN-UHFFFAOYSA-N 1 1 292.386 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C[N@H+]1CC[C@@H]2CCN(CC#Cc3ccc(Cl)cc3)C[C@H]21 ZINC000378455104 329051313 /nfs/dbraw/zinc/05/13/13/329051313.db2.gz OMMCXFKQPBVYIQ-NVXWUHKLSA-N 1 1 288.822 2.718 20 30 CFEDMO C=C(C)CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000378493980 329052971 /nfs/dbraw/zinc/05/29/71/329052971.db2.gz VWTAFTNIAOJWEB-CQSZACIVSA-N 1 1 264.413 2.676 20 30 CFEDMO CCCO[C@@H]1CCC[N@@H+](CCCSCC#N)CC1 ZINC000173890949 329153434 /nfs/dbraw/zinc/15/34/34/329153434.db2.gz KUIFHVHIMYRKFW-CQSZACIVSA-N 1 1 270.442 2.914 20 30 CFEDMO C=CC[N@@H+](CC[C@H]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000177075270 329183095 /nfs/dbraw/zinc/18/30/95/329183095.db2.gz XAHWBQHDMBCALG-BZUAXINKSA-N 1 1 299.480 2.878 20 30 CFEDMO C=CC[N@H+](CC[C@H]1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000177075270 329183097 /nfs/dbraw/zinc/18/30/97/329183097.db2.gz XAHWBQHDMBCALG-BZUAXINKSA-N 1 1 299.480 2.878 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H]1C ZINC000177904576 329190153 /nfs/dbraw/zinc/19/01/53/329190153.db2.gz ZJHVHDWBYQCSDP-IHRRRGAJSA-N 1 1 252.402 2.530 20 30 CFEDMO C=C(C)CN(C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000180666598 329221891 /nfs/dbraw/zinc/22/18/91/329221891.db2.gz GFUXUZOCNXWUES-OAHLLOKOSA-N 1 1 281.444 2.716 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000181259270 329228026 /nfs/dbraw/zinc/22/80/26/329228026.db2.gz ZHRRWFPZFIQXAR-GJZGRUSLSA-N 1 1 264.413 2.676 20 30 CFEDMO C=C(C)C[N@@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000181255121 329228151 /nfs/dbraw/zinc/22/81/51/329228151.db2.gz XKYJIHRDFNMTGI-UHFFFAOYSA-N 1 1 268.320 2.616 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000181255121 329228153 /nfs/dbraw/zinc/22/81/53/329228153.db2.gz XKYJIHRDFNMTGI-UHFFFAOYSA-N 1 1 268.320 2.616 20 30 CFEDMO C=C(C)C[N@@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000181263654 329228304 /nfs/dbraw/zinc/22/83/04/329228304.db2.gz UXMNGQJNRQFGTA-UHFFFAOYSA-N 1 1 278.421 2.531 20 30 CFEDMO C=C(C)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000181265434 329228504 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C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccn1 ZINC000181809213 329237460 /nfs/dbraw/zinc/23/74/60/329237460.db2.gz BXPOQCLSUIGEOV-CYBMUJFWSA-N 1 1 254.308 2.923 20 30 CFEDMO C=CC[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182900282 329245748 /nfs/dbraw/zinc/24/57/48/329245748.db2.gz ICTDDFJCGQHVPF-RRFJBIMHSA-N 1 1 293.455 2.903 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183372223 329247323 /nfs/dbraw/zinc/24/73/23/329247323.db2.gz YASPNTBEPQQTLN-ZBFHGGJFSA-N 1 1 279.355 2.606 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183372203 329247457 /nfs/dbraw/zinc/24/74/57/329247457.db2.gz YASPNTBEPQQTLN-HOCLYGCPSA-N 1 1 279.355 2.606 20 30 CFEDMO CC#CCCCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000184858288 329263402 /nfs/dbraw/zinc/26/34/02/329263402.db2.gz OIWWBHIBROVSLY-UHFFFAOYSA-N 1 1 284.403 2.524 20 30 CFEDMO N#CC1(CC[N@H+]2CC(=O)N[C@@H]3CCCC[C@@H]32)CCCCC1 ZINC000582891322 329281752 /nfs/dbraw/zinc/28/17/52/329281752.db2.gz 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ZINC000491327210 332191240 /nfs/dbraw/zinc/19/12/40/332191240.db2.gz ULNTVMHERKSPBZ-ZDUSSCGKSA-N 1 1 253.349 2.634 20 30 CFEDMO C#CC[N@@H+](Cn1cc(-c2ccncn2)cn1)C1CCCCC1 ZINC000491404384 332205541 /nfs/dbraw/zinc/20/55/41/332205541.db2.gz BKMIVNADYOGCJD-UHFFFAOYSA-N 1 1 295.390 2.566 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000491442069 332212594 /nfs/dbraw/zinc/21/25/94/332212594.db2.gz ZJTSOKFVRYTLBV-VIFPVBQESA-N 1 1 297.152 2.811 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000491442069 332212593 /nfs/dbraw/zinc/21/25/93/332212593.db2.gz ZJTSOKFVRYTLBV-VIFPVBQESA-N 1 1 297.152 2.811 20 30 CFEDMO C#CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000491567966 332239701 /nfs/dbraw/zinc/23/97/01/332239701.db2.gz NWIIMXHXFBODPV-UHFFFAOYSA-N 1 1 276.286 2.757 20 30 CFEDMO C#CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)C1CC1 ZINC000491567966 332239703 /nfs/dbraw/zinc/23/97/03/332239703.db2.gz NWIIMXHXFBODPV-UHFFFAOYSA-N 1 1 276.286 2.757 20 30 CFEDMO 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294.402 2.704 20 30 CFEDMO C#CC[N@@H+](Cc1cnnn1Cc1ccccc1)C1CCCC1 ZINC000491743951 332322055 /nfs/dbraw/zinc/32/20/55/332322055.db2.gz IGQLOYVRWDMHOU-UHFFFAOYSA-N 1 1 294.402 2.704 20 30 CFEDMO C#C[C@H]([NH2+]Cc1c[nH]c2nccnc12)c1ccc(F)cc1 ZINC000491744457 332322583 /nfs/dbraw/zinc/32/25/83/332322583.db2.gz NNGWJQRIAQJFTP-AWEZNQCLSA-N 1 1 280.306 2.513 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000491754008 332329253 /nfs/dbraw/zinc/32/92/53/332329253.db2.gz QYHFOFIAGUSVPO-JTQLQIEISA-N 1 1 275.302 2.808 20 30 CFEDMO C#CC[N@@H+](Cc1cnc2ccc(Cl)cn12)C1CC1 ZINC000491755154 332329687 /nfs/dbraw/zinc/32/96/87/332329687.db2.gz YJCKQGPPIZQRHE-UHFFFAOYSA-N 1 1 259.740 2.585 20 30 CFEDMO C#CC[N@H+](Cc1cnc2ccc(Cl)cn12)C1CC1 ZINC000491755154 332329689 /nfs/dbraw/zinc/32/96/89/332329689.db2.gz YJCKQGPPIZQRHE-UHFFFAOYSA-N 1 1 259.740 2.585 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000491761109 332331560 /nfs/dbraw/zinc/33/15/60/332331560.db2.gz 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333281437 /nfs/dbraw/zinc/28/14/37/333281437.db2.gz AXYJVLYAWUXFMJ-UHFFFAOYSA-N 1 1 273.380 2.833 20 30 CFEDMO CC1(C#N)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000227353852 333281565 /nfs/dbraw/zinc/28/15/65/333281565.db2.gz WNCMQVGBDIAZEV-UHFFFAOYSA-N 1 1 259.309 2.720 20 30 CFEDMO C=CCc1ccccc1OC[C@H](O)C[N@H+]1C[C@@H](C)C[C@@H]1C ZINC000524895395 333392723 /nfs/dbraw/zinc/39/27/23/333392723.db2.gz YRXRYQLLFDSDKM-YQQAZPJKSA-N 1 1 289.419 2.885 20 30 CFEDMO CC#CC[N@@H+](C)CCc1ccc(Br)cc1 ZINC000525122130 333399845 /nfs/dbraw/zinc/39/98/45/333399845.db2.gz VXWHFTJFZVVJKZ-UHFFFAOYSA-N 1 1 266.182 2.947 20 30 CFEDMO COc1ccc(C(C)(C)[NH2+]CC2(C#N)CC2)cc1F ZINC000528674740 333451964 /nfs/dbraw/zinc/45/19/64/333451964.db2.gz FTIJAGWQBQVMNR-UHFFFAOYSA-N 1 1 262.328 2.963 20 30 CFEDMO C=CCCCCCN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000576350725 335193007 /nfs/dbraw/zinc/19/30/07/335193007.db2.gz LSKLJTFRVSTQLM-UHFFFAOYSA-N 1 1 280.456 2.559 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)[C@@H]1CO 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/nfs/dbraw/zinc/60/70/51/618607051.db2.gz WAEQNAYRAKZOAH-UHFFFAOYSA-N 1 1 256.147 2.722 20 30 CFEDMO CCc1nc(CO[NH+]=C(N)CCC(C)C)cs1 ZINC000066374303 618609707 /nfs/dbraw/zinc/60/97/07/618609707.db2.gz DZBJWYQLTMLDCT-UHFFFAOYSA-N 1 1 255.387 2.931 20 30 CFEDMO CC[C@@H](C[NH2+]CC#Cc1ccccc1)N1CCCC1 ZINC000892554557 618631847 /nfs/dbraw/zinc/63/18/47/618631847.db2.gz LIHANERLWOGZTH-KRWDZBQOSA-N 1 1 256.393 2.502 20 30 CFEDMO C#CC[N@H+](C[C@@H](C)COC)[C@H]1CCc2ccccc21 ZINC000249170255 618651173 /nfs/dbraw/zinc/65/11/73/618651173.db2.gz AUEKCPACQVJCFL-PBHICJAKSA-N 1 1 257.377 2.892 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001007389703 618675408 /nfs/dbraw/zinc/67/54/08/618675408.db2.gz BEAKABNDJVQPIV-IAGOWNOFSA-N 1 1 288.435 2.727 20 30 CFEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001007389703 618675410 /nfs/dbraw/zinc/67/54/10/618675410.db2.gz BEAKABNDJVQPIV-IAGOWNOFSA-N 1 1 288.435 2.727 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H](C)C1 ZINC001018022300 618683858 /nfs/dbraw/zinc/68/38/58/618683858.db2.gz GJXNQIUSTULGNJ-XUWVNRHRSA-N 1 1 276.424 2.674 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)c(F)c2)C1 ZINC001007504362 618690264 /nfs/dbraw/zinc/69/02/64/618690264.db2.gz WNEMDAIAPUTXHH-ZDUSSCGKSA-N 1 1 294.345 2.735 20 30 CFEDMO N#CCOc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000832343444 625290984 /nfs/dbraw/zinc/29/09/84/625290984.db2.gz CLVAAOPOBSKULC-KRWDZBQOSA-N 1 1 286.375 2.591 20 30 CFEDMO CSCCCO[NH+]=C(N)CCc1ccccc1 ZINC000174128716 618772703 /nfs/dbraw/zinc/77/27/03/618772703.db2.gz SYLNHKBDRGBZKY-UHFFFAOYSA-N 1 1 252.383 2.661 20 30 CFEDMO C=C1CCC(C(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000892963955 618784609 /nfs/dbraw/zinc/78/46/09/618784609.db2.gz XVZPSNFFNJPMDF-HUUCEWRRSA-N 1 1 263.381 2.903 20 30 CFEDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930530506 618856850 /nfs/dbraw/zinc/85/68/50/618856850.db2.gz SZZBYVGXZKTVRG-ZDUSSCGKSA-N 1 1 264.756 2.557 20 30 CFEDMO C=CCCCN(CC)C(=O)NCCCCn1cc[nH+]c1C ZINC000893191021 618874265 /nfs/dbraw/zinc/87/42/65/618874265.db2.gz IKKOJXJOZYGMHB-UHFFFAOYSA-N 1 1 292.427 2.969 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001007848305 618877949 /nfs/dbraw/zinc/87/79/49/618877949.db2.gz ASLPHLQJYPTNFM-HNNXBMFYSA-N 1 1 290.407 2.975 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001007859299 618880184 /nfs/dbraw/zinc/88/01/84/618880184.db2.gz MMOZOUUBTFQUMR-AWEZNQCLSA-N 1 1 297.402 2.857 20 30 CFEDMO C#CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000893239994 618900291 /nfs/dbraw/zinc/90/02/91/618900291.db2.gz WNWAYWDGFLMUDB-HQSKLWIPSA-N 1 1 268.404 2.966 20 30 CFEDMO C#CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000893239994 618900293 /nfs/dbraw/zinc/90/02/93/618900293.db2.gz WNWAYWDGFLMUDB-HQSKLWIPSA-N 1 1 268.404 2.966 20 30 CFEDMO N#Cc1ccc(N[C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000893265994 618916347 /nfs/dbraw/zinc/91/63/47/618916347.db2.gz NOCVBKMZWIXFAY-LLVKDONJSA-N 1 1 272.739 2.835 20 30 CFEDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000776581586 618930649 /nfs/dbraw/zinc/93/06/49/618930649.db2.gz KQTMXDMCKZNCAA-CYBMUJFWSA-N 1 1 295.427 2.773 20 30 CFEDMO COC/C(C)=C/C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000931332277 618949275 /nfs/dbraw/zinc/94/92/75/618949275.db2.gz BVOITRXNKUCPHF-VGOFMYFVSA-N 1 1 270.376 2.703 20 30 CFEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001009099127 618978692 /nfs/dbraw/zinc/97/86/92/618978692.db2.gz WEWQDUJMBHLEHF-KRWDZBQOSA-N 1 1 284.403 2.637 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001009099127 618978695 /nfs/dbraw/zinc/97/86/95/618978695.db2.gz WEWQDUJMBHLEHF-KRWDZBQOSA-N 1 1 284.403 2.637 20 30 CFEDMO C#CC[N@H+](Cc1cc(=O)oc2cc(O)ccc12)C1CCCC1 ZINC000182453939 625308113 /nfs/dbraw/zinc/30/81/13/625308113.db2.gz BZABPCZNOBITRY-UHFFFAOYSA-N 1 1 297.354 2.876 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)Cc1c2c(nn1C)CCC2 ZINC000893421791 618986281 /nfs/dbraw/zinc/98/62/81/618986281.db2.gz SFQUTLXIYIIYQU-UHFFFAOYSA-N 1 1 285.391 2.733 20 30 CFEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC001009567005 618997247 /nfs/dbraw/zinc/99/72/47/618997247.db2.gz WFURKRZDMUQDQN-MRXNPFEDSA-N 1 1 276.424 2.890 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001006714325 619002436 /nfs/dbraw/zinc/00/24/36/619002436.db2.gz ICHDJMQOABNCOG-CVEARBPZSA-N 1 1 276.424 2.890 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001009602355 619002960 /nfs/dbraw/zinc/00/29/60/619002960.db2.gz LQBYBOSCVKZYIY-SJLPKXTDSA-N 1 1 288.435 2.727 20 30 CFEDMO C[N@@H+](CC/N=C/c1ccccc1O)Cc1ccccc1 ZINC000066887660 619006385 /nfs/dbraw/zinc/00/63/85/619006385.db2.gz BDCKKGQANPFXSS-QGOAFFKASA-N 1 1 268.360 2.943 20 30 CFEDMO COc1ccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(O)c1OC ZINC000893527863 619037224 /nfs/dbraw/zinc/03/72/24/619037224.db2.gz QJCLPFAZBGVTQK-MRXNPFEDSA-N 1 1 290.363 2.535 20 30 CFEDMO COc1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)c(O)c1OC ZINC000893527863 619037226 /nfs/dbraw/zinc/03/72/26/619037226.db2.gz QJCLPFAZBGVTQK-MRXNPFEDSA-N 1 1 290.363 2.535 20 30 CFEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001009781068 619038127 /nfs/dbraw/zinc/03/81/27/619038127.db2.gz OKMKDRVFQIDVAL-SFHVURJKSA-N 1 1 298.430 2.639 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001009781068 619038130 /nfs/dbraw/zinc/03/81/30/619038130.db2.gz OKMKDRVFQIDVAL-SFHVURJKSA-N 1 1 298.430 2.639 20 30 CFEDMO C#CCOc1ccc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1 ZINC000093837306 619061028 /nfs/dbraw/zinc/06/10/28/619061028.db2.gz GCNKERDDEODRGR-MRXNPFEDSA-N 1 1 275.392 2.537 20 30 CFEDMO C=CC[N@H+](C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000893560143 619071518 /nfs/dbraw/zinc/07/15/18/619071518.db2.gz WIUYLEOYMFGBDD-BETUJISGSA-N 1 1 280.412 2.940 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001010046922 619076024 /nfs/dbraw/zinc/07/60/24/619076024.db2.gz ZFVVBGKOVBKUIV-OAHLLOKOSA-N 1 1 264.413 2.723 20 30 CFEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1ccc(C#N)cc1CO ZINC000893573477 619076467 /nfs/dbraw/zinc/07/64/67/619076467.db2.gz ZFSKYFHRRCBVML-INIZCTEOSA-N 1 1 287.407 2.583 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000893607192 619091065 /nfs/dbraw/zinc/09/10/65/619091065.db2.gz WBZOGQXDSIAREW-AWEZNQCLSA-N 1 1 260.385 2.860 20 30 CFEDMO CC[N@H+](CCNCc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000236873074 619182984 /nfs/dbraw/zinc/18/29/84/619182984.db2.gz RYVKZEXDWPVUKZ-AWEZNQCLSA-N 1 1 287.407 2.551 20 30 CFEDMO CC[N@@H+](CCNCc1ccc(O[C@@H](C)C#N)cc1)C1CC1 ZINC000236873074 619182986 /nfs/dbraw/zinc/18/29/86/619182986.db2.gz RYVKZEXDWPVUKZ-AWEZNQCLSA-N 1 1 287.407 2.551 20 30 CFEDMO Cn1ccc([C@H]2CCC[N@@H+](CCC(C)(C)C#N)C2)n1 ZINC000932134324 619195336 /nfs/dbraw/zinc/19/53/36/619195336.db2.gz CNJAQEMDYIKOQJ-ZDUSSCGKSA-N 1 1 260.385 2.539 20 30 CFEDMO CCCCCCCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000893830589 619224748 /nfs/dbraw/zinc/22/47/48/619224748.db2.gz XZJKXQHSMQTNJF-GASCZTMLSA-N 1 1 281.444 2.550 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@H](OC)C2)c1O ZINC000178886565 619269479 /nfs/dbraw/zinc/26/94/79/619269479.db2.gz HCSZTPMOIOUBIR-HNNXBMFYSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CCc1cc(C[N@H+]2CCCO[C@H](C)C2)c(O)c(OC)c1 ZINC000178891801 619270548 /nfs/dbraw/zinc/27/05/48/619270548.db2.gz GHICLQCQWKLQCI-CYBMUJFWSA-N 1 1 291.391 2.740 20 30 CFEDMO C[C@H](C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(C)(C)C ZINC000878771614 619296172 /nfs/dbraw/zinc/29/61/72/619296172.db2.gz QIFUDTKXRQGRGD-MCIONIFRSA-N 1 1 251.418 2.587 20 30 CFEDMO C#CC[C@H]1CCCN(c2[nH+]cnc3[nH]cc(CC)c32)C1 ZINC000894350871 619345510 /nfs/dbraw/zinc/34/55/10/619345510.db2.gz YVVUPAXSBQVAQS-LBPRGKRZSA-N 1 1 268.364 2.760 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)Cc1c(C)ccnc1N ZINC000894423722 619380443 /nfs/dbraw/zinc/38/04/43/619380443.db2.gz YWRZROUUKGUVKS-UHFFFAOYSA-N 1 1 271.364 2.796 20 30 CFEDMO C=CC[N@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000894495665 619402675 /nfs/dbraw/zinc/40/26/75/619402675.db2.gz PRKXYWBJNWRIMQ-SNVBAGLBSA-N 1 1 278.343 2.653 20 30 CFEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2csc(C#N)c2)C1 ZINC000894496414 619403102 /nfs/dbraw/zinc/40/31/02/619403102.db2.gz PYNRSBGZFJQEKI-DZGCQCFKSA-N 1 1 275.421 2.536 20 30 CFEDMO C#C[C@H]([NH2+]Cc1csc(-c2ccn(C)n2)n1)C(C)(C)C ZINC000894517166 619407650 /nfs/dbraw/zinc/40/76/50/619407650.db2.gz GQCINMXWSADHRJ-ZDUSSCGKSA-N 1 1 288.420 2.681 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cs1 ZINC000894572484 619421810 /nfs/dbraw/zinc/42/18/10/619421810.db2.gz JCCQDNUSSBAPPM-QGZVFWFLSA-N 1 1 298.411 2.756 20 30 CFEDMO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C(=O)OCC ZINC000894759378 619456415 /nfs/dbraw/zinc/45/64/15/619456415.db2.gz XRMLERMJXMQPSE-FPCVCCKLSA-N 1 1 295.423 2.679 20 30 CFEDMO COC[C@@H]1CCCC[N@H+]1Cc1csc(C#N)c1 ZINC000894785065 619467158 /nfs/dbraw/zinc/46/71/58/619467158.db2.gz URECTIRMBCJUOX-LBPRGKRZSA-N 1 1 250.367 2.621 20 30 CFEDMO Cc1coc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000894840703 619479926 /nfs/dbraw/zinc/47/99/26/619479926.db2.gz XJTDHPAWZRWIEJ-CQSZACIVSA-N 1 1 283.331 2.508 20 30 CFEDMO CC(C)c1nnc(C[NH2+]CC(C)(C)CC#N)s1 ZINC000894856895 619484880 /nfs/dbraw/zinc/48/48/80/619484880.db2.gz ZRHNRHMLDCSJJK-UHFFFAOYSA-N 1 1 252.387 2.691 20 30 CFEDMO N#Cc1cc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cs1 ZINC000894901035 619506896 /nfs/dbraw/zinc/50/68/96/619506896.db2.gz QKWAVSGBGJMLBJ-GOEBONIOSA-N 1 1 284.384 2.928 20 30 CFEDMO N#Cc1cc(C[N@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cs1 ZINC000894901035 619506898 /nfs/dbraw/zinc/50/68/98/619506898.db2.gz QKWAVSGBGJMLBJ-GOEBONIOSA-N 1 1 284.384 2.928 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1c2c(nn1C)CCC2 ZINC000895018173 619525061 /nfs/dbraw/zinc/52/50/61/619525061.db2.gz LHSPMRYPTSQXCO-CYBMUJFWSA-N 1 1 294.402 2.973 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1c2c(nn1C)CCC2 ZINC000895018173 619525063 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C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C3CCC3)CCC[C@@H]12 ZINC000989891618 620398516 /nfs/dbraw/zinc/39/85/16/620398516.db2.gz ABLXSJWPPFFZNX-HIFRSBDPSA-N 1 1 282.815 2.652 20 30 CFEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)c3ccccc3C)CCC[C@H]12 ZINC000989923249 620402540 /nfs/dbraw/zinc/40/25/40/620402540.db2.gz VLFQHUSQIXVUOD-HKUYNNGSSA-N 1 1 296.414 2.745 20 30 CFEDMO C#CC[N@H+]1CC[C@]2(NC(=O)CC3CCCCC3)CCC[C@H]12 ZINC000989936202 620404271 /nfs/dbraw/zinc/40/42/71/620404271.db2.gz RYUXELPYYQPNGC-FUHWJXTLSA-N 1 1 288.435 2.703 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC=CCC3)CCC[C@H]12 ZINC000989944844 620404321 /nfs/dbraw/zinc/40/43/21/620404321.db2.gz GSWDMHDNXZKVRB-YQQAZPJKSA-N 1 1 274.408 2.642 20 30 CFEDMO C#CC[N@H+]1CC[C@]2(NC(=O)C3CCCCCC3)CCC[C@H]12 ZINC000990030132 620407902 /nfs/dbraw/zinc/40/79/02/620407902.db2.gz ISKSGHBHLTYLMO-FUHWJXTLSA-N 1 1 288.435 2.703 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CC3CCC3)CCC[C@H]12 ZINC000990080742 620408066 /nfs/dbraw/zinc/40/80/66/620408066.db2.gz 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ZINC000926966268 620434469 /nfs/dbraw/zinc/43/44/69/620434469.db2.gz WFEGEVDWZWWXKM-ZDUSSCGKSA-N 1 1 283.379 2.890 20 30 CFEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCc1cccc(C#N)c1F ZINC000923890030 620442798 /nfs/dbraw/zinc/44/27/98/620442798.db2.gz OBMLUSMXOGDDTB-CQSZACIVSA-N 1 1 290.338 2.613 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCc1cccc(C#N)c1F ZINC000923890030 620442800 /nfs/dbraw/zinc/44/28/00/620442800.db2.gz OBMLUSMXOGDDTB-CQSZACIVSA-N 1 1 290.338 2.613 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCCC[C@H]([C@H]3CCOC3)C2)n1 ZINC000898512400 620473348 /nfs/dbraw/zinc/47/33/48/620473348.db2.gz JNEUUZDOLFVSSS-GJZGRUSLSA-N 1 1 285.391 2.592 20 30 CFEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000898582108 620481012 /nfs/dbraw/zinc/48/10/12/620481012.db2.gz JFETWQWLYKUNAS-AWEZNQCLSA-N 1 1 264.413 2.722 20 30 CFEDMO C=C1CN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C1 ZINC000898695111 620490407 /nfs/dbraw/zinc/49/04/07/620490407.db2.gz WQILZWVWASEDCN-UHFFFAOYSA-N 1 1 272.392 2.929 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000899237557 620536370 /nfs/dbraw/zinc/53/63/70/620536370.db2.gz OTSIZLFBUIVVKJ-OAHLLOKOSA-N 1 1 299.418 2.778 20 30 CFEDMO C#CCCCCCCSC[C@H]1C[N@H+](C)CCO1 ZINC000901572933 620867142 /nfs/dbraw/zinc/86/71/42/620867142.db2.gz OLYOCBPVHCGNEA-CQSZACIVSA-N 1 1 255.427 2.634 20 30 CFEDMO C#CCCCCCCSC[C@H]1C[N@@H+](C)CCO1 ZINC000901572933 620867145 /nfs/dbraw/zinc/86/71/45/620867145.db2.gz OLYOCBPVHCGNEA-CQSZACIVSA-N 1 1 255.427 2.634 20 30 CFEDMO COc1ccc(C(N)=[NH+]OC[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC000902213162 620994290 /nfs/dbraw/zinc/99/42/90/620994290.db2.gz MDUKSOJMKBRYBH-YSCVYTRNSA-N 1 1 296.317 2.623 20 30 CFEDMO C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc(C#N)c1 ZINC000902439962 621080602 /nfs/dbraw/zinc/08/06/02/621080602.db2.gz VVMPWVNZACHQCX-NXOUGTEYSA-N 1 1 277.371 2.834 20 30 CFEDMO N#CC1(c2ccccc2)CCC(N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902476880 621087388 /nfs/dbraw/zinc/08/73/88/621087388.db2.gz REGHJFBLAZTKCR-FRPQEJHRSA-N 1 1 295.430 2.873 20 30 CFEDMO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2N3)CC1 ZINC000902476880 621087390 /nfs/dbraw/zinc/08/73/90/621087390.db2.gz REGHJFBLAZTKCR-FRPQEJHRSA-N 1 1 295.430 2.873 20 30 CFEDMO CCC[N@@H+](CCO[C@H](C)C#N)[C@@H]1C[C@H](OCC)C1(C)C ZINC000801923095 621139890 /nfs/dbraw/zinc/13/98/90/621139890.db2.gz YVEWAOASLYPEQY-KFWWJZLASA-N 1 1 282.428 2.831 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000801925333 621143632 /nfs/dbraw/zinc/14/36/32/621143632.db2.gz BANQVTVUJBPZTK-IIAWOOMASA-N 1 1 258.365 2.793 20 30 CFEDMO COc1ccc(C[NH2+][C@H](C)c2cc(C#N)ccn2)cc1OC ZINC000902720765 621156896 /nfs/dbraw/zinc/15/68/96/621156896.db2.gz OIYCTMVCTKZZDI-GFCCVEGCSA-N 1 1 297.358 2.821 20 30 CFEDMO C[C@@H](NCC[N@@H+](C)C1CCCCC1)c1cc(C#N)ccn1 ZINC000902769275 621169628 /nfs/dbraw/zinc/16/96/28/621169628.db2.gz WVQUYUKDAUCTTF-CQSZACIVSA-N 1 1 286.423 2.868 20 30 CFEDMO CC[C@H]([NH2+][C@H](C)CCN(C)C)c1cccc(C#N)c1 ZINC000902780728 621172377 /nfs/dbraw/zinc/17/23/77/621172377.db2.gz QSOWPVAXWJKUKY-CJNGLKHVSA-N 1 1 259.397 2.939 20 30 CFEDMO CC[C@H](N[C@H](C)CC[NH+](C)C)c1cccc(C#N)c1 ZINC000902780728 621172379 /nfs/dbraw/zinc/17/23/79/621172379.db2.gz QSOWPVAXWJKUKY-CJNGLKHVSA-N 1 1 259.397 2.939 20 30 CFEDMO C=CCC[C@@H]([NH2+]Cc1ccn[nH]1)[C@]1(C)CCCCO1 ZINC000902796916 621179645 /nfs/dbraw/zinc/17/96/45/621179645.db2.gz WIBLWGCBKRLMJJ-CABCVRRESA-N 1 1 263.385 2.793 20 30 CFEDMO Cc1ccncc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903007899 621228272 /nfs/dbraw/zinc/22/82/72/621228272.db2.gz JHBATHAAVIBTJN-GFCCVEGCSA-N 1 1 252.321 2.508 20 30 CFEDMO C[C@H]([NH2+][C@H]1COCc2ccccc21)c1cc(C#N)ccn1 ZINC000903025252 621234480 /nfs/dbraw/zinc/23/44/80/621234480.db2.gz SCGQEHSDIBRLJQ-SJCJKPOMSA-N 1 1 279.343 2.875 20 30 CFEDMO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nncn1C ZINC000903060871 621237921 /nfs/dbraw/zinc/23/79/21/621237921.db2.gz HOPJETDTLPQGJI-WFASDCNBSA-N 1 1 283.379 2.735 20 30 CFEDMO CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000903105204 621254812 /nfs/dbraw/zinc/25/48/12/621254812.db2.gz AFGLKBMGONLTIU-LLVKDONJSA-N 1 1 257.337 2.599 20 30 CFEDMO C[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1ccc(C#N)cc1 ZINC000903201267 621284093 /nfs/dbraw/zinc/28/40/93/621284093.db2.gz HHSHXRGPHRIBBQ-ZDUSSCGKSA-N 1 1 280.375 2.870 20 30 CFEDMO C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1cc(C#N)ccn1 ZINC000903239221 621294558 /nfs/dbraw/zinc/29/45/58/621294558.db2.gz BIHDQPZERLLOSB-CYBMUJFWSA-N 1 1 295.390 2.801 20 30 CFEDMO CC[C@H]([NH2+]Cc1cn(C)cn1)c1ccc(C#N)cc1 ZINC000903351616 621343701 /nfs/dbraw/zinc/34/37/01/621343701.db2.gz NBZHBQCZADAWDS-HNNXBMFYSA-N 1 1 254.337 2.533 20 30 CFEDMO C[NH2+]C[C@H]1CCCN(Cc2c(C)cc(C#N)cc2C)C1 ZINC000903420935 621378436 /nfs/dbraw/zinc/37/84/36/621378436.db2.gz GYEHQNFNKWDLNZ-OAHLLOKOSA-N 1 1 271.408 2.607 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)CCCC[NH+]1CCOCC1 ZINC000832719059 625494232 /nfs/dbraw/zinc/49/42/32/625494232.db2.gz VQFIBZWGCWUPBU-UHFFFAOYSA-N 1 1 296.455 2.598 20 30 CFEDMO N#CC1(CCCC[N@@H+]2CC[C@@H]3CC[C@]32CN)CCC1 ZINC000903863163 621459087 /nfs/dbraw/zinc/45/90/87/621459087.db2.gz JPHZQFFEWDCMFD-HOCLYGCPSA-N 1 1 261.413 2.664 20 30 CFEDMO N#CC1(CCCCN2CC[C@@H]3CC[C@]32C[NH3+])CCC1 ZINC000903863163 621459091 /nfs/dbraw/zinc/45/90/91/621459091.db2.gz JPHZQFFEWDCMFD-HOCLYGCPSA-N 1 1 261.413 2.664 20 30 CFEDMO C[C@@H](C(=O)N(O)Cc1cccc2ccccc21)[NH+](C)C ZINC000904173509 621542129 /nfs/dbraw/zinc/54/21/29/621542129.db2.gz SKSCKMVZFSLTSX-LBPRGKRZSA-N 1 1 272.348 2.508 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000832721889 625496886 /nfs/dbraw/zinc/49/68/86/625496886.db2.gz RATFSKVEVRDEAA-ZDUSSCGKSA-N 1 1 284.469 2.532 20 30 CFEDMO O=C([C@H]1CCC[N@H+]1C1CC1)N(O)Cc1ccccc1Cl ZINC000904190628 621546344 /nfs/dbraw/zinc/54/63/44/621546344.db2.gz OFDOHWAADOPLJV-CQSZACIVSA-N 1 1 294.782 2.685 20 30 CFEDMO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N(O)Cc1ccccc1Cl ZINC000904192496 621546385 /nfs/dbraw/zinc/54/63/85/621546385.db2.gz ODURNYAZKYAWOR-CYBMUJFWSA-N 1 1 296.798 2.931 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)N(O)Cc1ccccc1Cl ZINC000904192496 621546386 /nfs/dbraw/zinc/54/63/86/621546386.db2.gz ODURNYAZKYAWOR-CYBMUJFWSA-N 1 1 296.798 2.931 20 30 CFEDMO C=CCOc1ccccc1C[NH2+][C@@H]1Cc2ccccc2[C@H]1N ZINC000904462324 621597184 /nfs/dbraw/zinc/59/71/84/621597184.db2.gz UVBFYJNZNITSKH-IEBWSBKVSA-N 1 1 294.398 2.966 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(CCC2CCOCC2)no1 ZINC000904725926 621625449 /nfs/dbraw/zinc/62/54/49/621625449.db2.gz XULMIWVHKXLXRV-CYBMUJFWSA-N 1 1 279.384 2.785 20 30 CFEDMO C[C@H](C#N)C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905104386 621700466 /nfs/dbraw/zinc/70/04/66/621700466.db2.gz FRNGORRIDZMLDJ-PELKAZGASA-N 1 1 273.163 2.776 20 30 CFEDMO COc1cccc2c1OCCC[C@H]2[NH2+]C[C@H](C#N)CCC#N ZINC000905433790 621770942 /nfs/dbraw/zinc/77/09/42/621770942.db2.gz BSURLCNAWNUXOQ-DZGCQCFKSA-N 1 1 299.374 2.942 20 30 CFEDMO C=CCn1cccc1C(=O)N[C@]12CCC[C@H]1[N@@H+](CC=C)CC2 ZINC000991065449 621803746 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C[N@@H+](Cc1cn([C@@H](C#N)c2ccccc2)nn1)C(C)(C)C ZINC000905802734 621868265 /nfs/dbraw/zinc/86/82/65/621868265.db2.gz CAJLKJVYCPCETG-HNNXBMFYSA-N 1 1 283.379 2.621 20 30 CFEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)CCC1(O)CCC1 ZINC000905900012 621893492 /nfs/dbraw/zinc/89/34/92/621893492.db2.gz NXSCGTNORPPZIB-AWEZNQCLSA-N 1 1 295.448 2.792 20 30 CFEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)CCC1 ZINC000905957734 621911837 /nfs/dbraw/zinc/91/18/37/621911837.db2.gz OSGYJWLQOZGRMR-CABCVRRESA-N 1 1 274.408 2.696 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001015859564 625528389 /nfs/dbraw/zinc/52/83/89/625528389.db2.gz FTIFCOGQWIWLHS-WMLDXEAASA-N 1 1 286.419 2.729 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)N(CCC#N)CC(C)(C)C)C1 ZINC000906582486 622014654 /nfs/dbraw/zinc/01/46/54/622014654.db2.gz MXOGPEKADWJOQX-HNNXBMFYSA-N 1 1 293.455 2.897 20 30 CFEDMO C=CCCCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000907446034 622129605 /nfs/dbraw/zinc/12/96/05/622129605.db2.gz 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C=C1CCC(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCF)CC3)CC1 ZINC000992152818 623470353 /nfs/dbraw/zinc/47/03/53/623470353.db2.gz NIWIXGQCAZFQFN-RDJZCZTQSA-N 1 1 294.414 2.816 20 30 CFEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@@H]12 ZINC000992190495 623482694 /nfs/dbraw/zinc/48/26/94/623482694.db2.gz OPRGVQSFUNFQEP-YFHUEUNASA-N 1 1 288.435 2.559 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000824296141 623485277 /nfs/dbraw/zinc/48/52/77/623485277.db2.gz AXOMAZHSEQIBOX-AWEZNQCLSA-N 1 1 296.370 2.825 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824296715 623486104 /nfs/dbraw/zinc/48/61/04/623486104.db2.gz JIJXYVZFIAUKLE-KKUMJFAQSA-N 1 1 294.439 2.976 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC34CCC4)CCC[C@@H]12 ZINC000992254457 623499530 /nfs/dbraw/zinc/49/95/30/623499530.db2.gz BFJWGVAEGDCPEC-HDMKZQKVSA-N 1 1 288.435 2.866 20 30 CFEDMO C=CC[N@@H+](CC1CCC2(CC1)OCCO2)C(C)C ZINC000753706238 623501128 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/nfs/dbraw/zinc/60/76/01/634607601.db2.gz LUKFOVHCSGNYJI-CYBMUJFWSA-N 1 1 251.395 2.651 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)CC(C)(C)C ZINC000774063863 627883696 /nfs/dbraw/zinc/88/36/96/627883696.db2.gz TVMUOBHBVIRXMZ-KBPBESRZSA-N 1 1 265.397 2.700 20 30 CFEDMO N#Cc1ccc(C[NH2+][C@H]2CCCc3occc32)nc1 ZINC000774366196 627919143 /nfs/dbraw/zinc/91/91/43/627919143.db2.gz CDIMYYHAAAVWRX-AWEZNQCLSA-N 1 1 253.305 2.713 20 30 CFEDMO CC[C@@H]([NH2+][C@H](C)c1nnnn1C1CC1)c1ccc(C#N)cc1 ZINC000774382946 627919871 /nfs/dbraw/zinc/91/98/71/627919871.db2.gz XPTMNPJBDPDBES-IAQYHMDHSA-N 1 1 296.378 2.682 20 30 CFEDMO CCOCCON=C1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000774430222 627924569 /nfs/dbraw/zinc/92/45/69/627924569.db2.gz BILIQAPTEPEEHF-HNNXBMFYSA-N 1 1 290.407 2.938 20 30 CFEDMO CCOCCO[NH+]=C(C)c1ccc(N)cc1Cl ZINC000774433907 627924966 /nfs/dbraw/zinc/92/49/66/627924966.db2.gz NILKXJSUSATZDP-UHFFFAOYSA-N 1 1 256.733 2.699 20 30 CFEDMO C[C@@H]1CC(=NOC2CCOCC2)C[N@H+]1Cc1ccccc1 ZINC000774444741 627926812 /nfs/dbraw/zinc/92/68/12/627926812.db2.gz NVPPLIQAQRNCAL-CQSZACIVSA-N 1 1 288.391 2.832 20 30 CFEDMO C#CC[N@@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000851978687 634614698 /nfs/dbraw/zinc/61/46/98/634614698.db2.gz PPPULPRPMFFTDP-UHFFFAOYSA-N 1 1 252.239 2.642 20 30 CFEDMO C#CC[N@H+](C)Cc1ccc(C#N)cc1C(F)(F)F ZINC000851978687 634614703 /nfs/dbraw/zinc/61/47/03/634614703.db2.gz PPPULPRPMFFTDP-UHFFFAOYSA-N 1 1 252.239 2.642 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000774609936 627941633 /nfs/dbraw/zinc/94/16/33/627941633.db2.gz ZLIXGXMSKYYYPH-KGLIPLIRSA-N 1 1 253.386 2.816 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(Br)cnc1OC ZINC000851986072 634616318 /nfs/dbraw/zinc/61/63/18/634616318.db2.gz AICUZZHRQLQESC-UHFFFAOYSA-N 1 1 297.196 2.696 20 30 CFEDMO C#CC(C)(C)[N@H+](C)Cc1cc(Br)cnc1OC ZINC000851986072 634616320 /nfs/dbraw/zinc/61/63/20/634616320.db2.gz AICUZZHRQLQESC-UHFFFAOYSA-N 1 1 297.196 2.696 20 30 CFEDMO C=CC[C@H]1[N@H+](C[C@@H]2CCC(=O)O2)CCCC1(C)C ZINC000851989762 634617513 /nfs/dbraw/zinc/61/75/13/634617513.db2.gz KZCFGZBEUAVQHR-QWHCGFSZSA-N 1 1 251.370 2.759 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000775180125 627998219 /nfs/dbraw/zinc/99/82/19/627998219.db2.gz VJKFMHOSIJQCQY-LBPRGKRZSA-N 1 1 289.379 2.882 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000775180125 627998222 /nfs/dbraw/zinc/99/82/22/627998222.db2.gz VJKFMHOSIJQCQY-LBPRGKRZSA-N 1 1 289.379 2.882 20 30 CFEDMO C[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000775336638 628010677 /nfs/dbraw/zinc/01/06/77/628010677.db2.gz OPMMKZRZTNKSBD-GJZGRUSLSA-N 1 1 287.407 2.581 20 30 CFEDMO C[C@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000775336638 628010679 /nfs/dbraw/zinc/01/06/79/628010679.db2.gz OPMMKZRZTNKSBD-GJZGRUSLSA-N 1 1 287.407 2.581 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cnc(C(C)C)s1)[C@@H]1CCCO1 ZINC000775340227 628011416 /nfs/dbraw/zinc/01/14/16/628011416.db2.gz GEJKDGSOAVPGNF-STQMWFEESA-N 1 1 264.394 2.537 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)[C@H]1CCCO1 ZINC000775345919 628014075 /nfs/dbraw/zinc/01/40/75/628014075.db2.gz ROQWYFGLXMMXNY-ZIAGYGMSSA-N 1 1 267.731 2.750 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(OC)cc1F)[C@H]1CCCO1 ZINC000775571401 628039746 /nfs/dbraw/zinc/03/97/46/628039746.db2.gz GQTWDJHWSZMGIC-XFBWCDHKSA-N 1 1 277.339 2.666 20 30 CFEDMO C#C[C@H]([NH2+][C@H]1CCc2c1c(F)ccc2F)[C@H]1CCCO1 ZINC000775572906 628040509 /nfs/dbraw/zinc/04/05/09/628040509.db2.gz UXMMABCJQKTIHV-SOUVJXGZSA-N 1 1 277.314 2.723 20 30 CFEDMO C#CC[N@@H+](CC#CC)Cc1cn(C)nc1-c1ccccc1 ZINC000775708944 628057377 /nfs/dbraw/zinc/05/73/77/628057377.db2.gz QJDBLBKHGIAHSO-UHFFFAOYSA-N 1 1 277.371 2.546 20 30 CFEDMO C#CC[N@H+](CC#CC)Cc1cn(C)nc1-c1ccccc1 ZINC000775708944 628057382 /nfs/dbraw/zinc/05/73/82/628057382.db2.gz QJDBLBKHGIAHSO-UHFFFAOYSA-N 1 1 277.371 2.546 20 30 CFEDMO C#CC[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000775843677 628074768 /nfs/dbraw/zinc/07/47/68/628074768.db2.gz HXIMYBXZRNFOSW-IHRRRGAJSA-N 1 1 263.381 2.594 20 30 CFEDMO C#CC[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000775843677 628074769 /nfs/dbraw/zinc/07/47/69/628074769.db2.gz HXIMYBXZRNFOSW-IHRRRGAJSA-N 1 1 263.381 2.594 20 30 CFEDMO C#CCCOc1ccc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1 ZINC000775985114 628090811 /nfs/dbraw/zinc/09/08/11/628090811.db2.gz JUFVOULOTUSWKF-CVEARBPZSA-N 1 1 286.419 2.613 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)cc1 ZINC000775985114 628090813 /nfs/dbraw/zinc/09/08/13/628090813.db2.gz JUFVOULOTUSWKF-CVEARBPZSA-N 1 1 286.419 2.613 20 30 CFEDMO C#CCCOc1ccc(C[N@H+]2CCN(C)[C@H](C)[C@@H]2C)cc1 ZINC000775985114 628090817 /nfs/dbraw/zinc/09/08/17/628090817.db2.gz JUFVOULOTUSWKF-CVEARBPZSA-N 1 1 286.419 2.613 20 30 CFEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc2c(c1)OCCCO2 ZINC000776007988 628094335 /nfs/dbraw/zinc/09/43/35/628094335.db2.gz PBSDNNAYLRIAMS-LBPRGKRZSA-N 1 1 272.348 2.802 20 30 CFEDMO C[C@@H](NC[C@H](C1CC1)[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000776159335 628108064 /nfs/dbraw/zinc/10/80/64/628108064.db2.gz VLFCRPWPJPUHBS-CXAGYDPISA-N 1 1 287.407 2.580 20 30 CFEDMO CN(C)c1ccncc1C=[NH+]NCc1ccccc1Cl ZINC000776181290 628112584 /nfs/dbraw/zinc/11/25/84/628112584.db2.gz VHNYSHOVZTXYKQ-UHFFFAOYSA-N 1 1 288.782 2.925 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1N=NCC(F)F ZINC000776185505 628112716 /nfs/dbraw/zinc/11/27/16/628112716.db2.gz CBAOVOBOOSHNHN-GFCCVEGCSA-N 1 1 281.350 2.739 20 30 CFEDMO CCCNN=C1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000776186728 628113896 /nfs/dbraw/zinc/11/38/96/628113896.db2.gz YCFQMECZJXVICX-CQSZACIVSA-N 1 1 259.397 2.884 20 30 CFEDMO CCCNN=C1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000776186728 628113899 /nfs/dbraw/zinc/11/38/99/628113899.db2.gz YCFQMECZJXVICX-CQSZACIVSA-N 1 1 259.397 2.884 20 30 CFEDMO C=CCCC[C@@H](C)NC(=S)NC[C@@H]1CCC[N@@H+]1CC ZINC000776203995 628116771 /nfs/dbraw/zinc/11/67/71/628116771.db2.gz UEENCPVNGPAJNT-KGLIPLIRSA-N 1 1 283.485 2.680 20 30 CFEDMO C=CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776605518 628163748 /nfs/dbraw/zinc/16/37/48/628163748.db2.gz DRRVPXIXOZKETP-NWDGAFQWSA-N 1 1 254.374 2.502 20 30 CFEDMO C=CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776605518 628163750 /nfs/dbraw/zinc/16/37/50/628163750.db2.gz DRRVPXIXOZKETP-NWDGAFQWSA-N 1 1 254.374 2.502 20 30 CFEDMO C=CCSc1ccccc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000777150567 628204704 /nfs/dbraw/zinc/20/47/04/628204704.db2.gz YNENLYDXLPBVGH-CYBMUJFWSA-N 1 1 290.432 2.741 20 30 CFEDMO C=CCSc1ccccc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000777150567 628204707 /nfs/dbraw/zinc/20/47/07/628204707.db2.gz YNENLYDXLPBVGH-CYBMUJFWSA-N 1 1 290.432 2.741 20 30 CFEDMO COC[C@@H](C)NN=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000777895176 628262593 /nfs/dbraw/zinc/26/25/93/628262593.db2.gz WDUFQRMKUYRHPF-OAHLLOKOSA-N 1 1 291.439 2.755 20 30 CFEDMO COC[C@@H](C)NN=C(C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000777902023 628263302 /nfs/dbraw/zinc/26/33/02/628263302.db2.gz MZVWOQAEFMPKQA-GFCCVEGCSA-N 1 1 286.379 2.529 20 30 CFEDMO COC[C@H](C)NN=C1CCCC[C@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000777902679 628263344 /nfs/dbraw/zinc/26/33/44/628263344.db2.gz LHXIVHSBTKPCCS-QSJFSLAZSA-N 1 1 295.471 2.887 20 30 CFEDMO COC[C@@H](C)NN=C1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000777902829 628263350 /nfs/dbraw/zinc/26/33/50/628263350.db2.gz VOZFNNKIKAVHDT-LSDHHAIUSA-N 1 1 289.423 2.509 20 30 CFEDMO COC[C@H](C)NN=C1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000777902819 628263521 /nfs/dbraw/zinc/26/35/21/628263521.db2.gz VOZFNNKIKAVHDT-CABCVRRESA-N 1 1 289.423 2.509 20 30 CFEDMO C=CC[C@@H](C(=O)NCC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC000779041882 628348126 /nfs/dbraw/zinc/34/81/26/628348126.db2.gz ZQUMYTOSAKYEKL-NVXWUHKLSA-N 1 1 286.419 2.947 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000779157759 628356765 /nfs/dbraw/zinc/35/67/65/628356765.db2.gz JDEMLMOHPJERFP-ZDUSSCGKSA-N 1 1 293.794 2.963 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCCO[C@@H](C)C1 ZINC000779157759 628356768 /nfs/dbraw/zinc/35/67/68/628356768.db2.gz JDEMLMOHPJERFP-ZDUSSCGKSA-N 1 1 293.794 2.963 20 30 CFEDMO CCc1c2ccccc2oc1C(C)=NNC1=[NH+]C[C@@H](C)N1 ZINC000779792128 628406628 /nfs/dbraw/zinc/40/66/28/628406628.db2.gz JJZCVOXGDPMOIL-SNVBAGLBSA-N 1 1 284.363 2.657 20 30 CFEDMO C[C@H]1C[NH+]=C(NN=Cc2cc(-c3ccccc3)cs2)N1 ZINC000779801823 628407513 /nfs/dbraw/zinc/40/75/13/628407513.db2.gz YJDYOJLUAUWCFG-NSHDSACASA-N 1 1 284.388 2.686 20 30 CFEDMO C[C@H]1C[NH+]=C(NN=C2CCc3c2ccc(Cl)c3Cl)N1 ZINC000779799495 628407799 /nfs/dbraw/zinc/40/77/99/628407799.db2.gz TWQQMUZPTRBOQG-ZETCQYMHSA-N 1 1 297.189 2.581 20 30 CFEDMO CC(C)COc1ccc(C=NNc2cc[nH+]cc2)cc1 ZINC000779809340 628408497 /nfs/dbraw/zinc/40/84/97/628408497.db2.gz IOQOUFUACOMNTP-UHFFFAOYSA-N 1 1 269.348 2.984 20 30 CFEDMO COc1cc(C)ccc1C(C)=NNc1cc[nH+]cc1 ZINC000779808575 628408806 /nfs/dbraw/zinc/40/88/06/628408806.db2.gz MGLJIQKNUBGEQJ-UHFFFAOYSA-N 1 1 255.321 2.657 20 30 CFEDMO CC1(C)Cc2occc2C(=NNc2cc[nH+]cc2)C1 ZINC000779810987 628409243 /nfs/dbraw/zinc/40/92/43/628409243.db2.gz AVIBMVFQOOYCBW-UHFFFAOYSA-N 1 1 255.321 2.885 20 30 CFEDMO COc1ccc(Cl)cc1C=NNc1cc[nH+]cc1 ZINC000779809580 628409247 /nfs/dbraw/zinc/40/92/47/628409247.db2.gz PULHVJOAIZIXHO-UHFFFAOYSA-N 1 1 261.712 2.612 20 30 CFEDMO C[C@H]1CC(N=Nc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000779810707 628409289 /nfs/dbraw/zinc/40/92/89/628409289.db2.gz IIHMKJRXSJDJKM-HNNXBMFYSA-N 1 1 294.402 2.956 20 30 CFEDMO CC(C)Oc1ccc(C=NNc2cc[nH+]cc2)cc1 ZINC000779810992 628409429 /nfs/dbraw/zinc/40/94/29/628409429.db2.gz BADPHTCFJGAEIW-UHFFFAOYSA-N 1 1 255.321 2.737 20 30 CFEDMO FC(F)(F)COc1ccc(C=NNc2cc[nH+]cc2)cc1 ZINC000779812023 628409751 /nfs/dbraw/zinc/40/97/51/628409751.db2.gz WMKLRMCDMQCBQI-UHFFFAOYSA-N 1 1 295.264 2.891 20 30 CFEDMO CC1(C)CC(=NNc2cc[nH+]cc2)c2ccccc2O1 ZINC000779811995 628409775 /nfs/dbraw/zinc/40/97/75/628409775.db2.gz VOKAZNNBRJOAAM-UHFFFAOYSA-N 1 1 267.332 2.881 20 30 CFEDMO C=CCOc1ccc(C=NNc2cc[nH+]cc2)cc1 ZINC000779811829 628409814 /nfs/dbraw/zinc/40/98/14/628409814.db2.gz KTSHOWBFIRYURU-UHFFFAOYSA-N 1 1 253.305 2.514 20 30 CFEDMO C#CCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000779965189 628421061 /nfs/dbraw/zinc/42/10/61/628421061.db2.gz ULEQVDPIYSQGSE-LSDHHAIUSA-N 1 1 264.413 2.511 20 30 CFEDMO COc1ccc(N=NC2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000780268120 628448565 /nfs/dbraw/zinc/44/85/65/628448565.db2.gz FLYLTJCRMPUSJZ-UHFFFAOYSA-N 1 1 296.374 2.764 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000852101734 634656909 /nfs/dbraw/zinc/65/69/09/634656909.db2.gz HWJIZBQWXFYNIR-ZDUSSCGKSA-N 1 1 250.273 2.625 20 30 CFEDMO C#CCCCCCC(=O)NCCn1cc[nH+]c1C(C)C ZINC000780440914 628464093 /nfs/dbraw/zinc/46/40/93/628464093.db2.gz ZSARHIIODGQAMY-UHFFFAOYSA-N 1 1 275.396 2.706 20 30 CFEDMO C=CC[N@@H+](CN1CC[C@](C)(c2ccccc2)C1=O)C1CC1 ZINC000780449599 628464913 /nfs/dbraw/zinc/46/49/13/628464913.db2.gz VHXXIHFLQFCBCT-GOSISDBHSA-N 1 1 284.403 2.785 20 30 CFEDMO C=CC[N@H+](CN1CC[C@](C)(c2ccccc2)C1=O)C1CC1 ZINC000780449599 628464915 /nfs/dbraw/zinc/46/49/15/628464915.db2.gz VHXXIHFLQFCBCT-GOSISDBHSA-N 1 1 284.403 2.785 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000852103154 634657932 /nfs/dbraw/zinc/65/79/32/634657932.db2.gz YUDLMNCNJXUYIW-HNNXBMFYSA-N 1 1 288.782 2.812 20 30 CFEDMO CO[C@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)C(F)(F)F ZINC000781420775 628547510 /nfs/dbraw/zinc/54/75/10/628547510.db2.gz DWCGHCNWCBMNAU-PRHODGIISA-N 1 1 290.260 2.925 20 30 CFEDMO CCCCCCC[NH+]1CCN(c2ncns2)CC1 ZINC000852126370 634666814 /nfs/dbraw/zinc/66/68/14/634666814.db2.gz AJHKIOTUQCEIMD-UHFFFAOYSA-N 1 1 268.430 2.631 20 30 CFEDMO N#CCOc1cc(F)ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000782159377 628608603 /nfs/dbraw/zinc/60/86/03/628608603.db2.gz CCPYACLTRXMYDV-ZIAGYGMSSA-N 1 1 289.354 2.767 20 30 CFEDMO CC[NH+](CC)[C@@H](C(=O)NO)c1cccc(C(F)(F)F)c1 ZINC000782169470 628608872 /nfs/dbraw/zinc/60/88/72/628608872.db2.gz MEBVGFQYGPGTHG-LLVKDONJSA-N 1 1 290.285 2.594 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000782187163 628611741 /nfs/dbraw/zinc/61/17/41/628611741.db2.gz MUIZWVZTVZFBOQ-GFCCVEGCSA-N 1 1 281.363 2.617 20 30 CFEDMO CC[N@H+]1CCC(=NN[C@H]2CCCC2(C)C)[C@@H](C)C1 ZINC000782299704 628625717 /nfs/dbraw/zinc/62/57/17/628625717.db2.gz ITWSEFNTJKHPJZ-JSGCOSHPSA-N 1 1 251.418 2.872 20 30 CFEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cn2)c(F)c1 ZINC000783299401 628698816 /nfs/dbraw/zinc/69/88/16/628698816.db2.gz BWDLKQJXGPLAGN-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)c(F)c1 ZINC000783299400 628699004 /nfs/dbraw/zinc/69/90/04/628699004.db2.gz BWDLKQJXGPLAGN-LLVKDONJSA-N 1 1 285.322 2.952 20 30 CFEDMO Cc1ccc2cc(C=NNc3cc[nH+]cc3)ccc2n1 ZINC000783524005 628717101 /nfs/dbraw/zinc/71/71/01/628717101.db2.gz LIIYBTGANOQBSS-UHFFFAOYSA-N 1 1 262.316 2.806 20 30 CFEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000805749309 628729892 /nfs/dbraw/zinc/72/98/92/628729892.db2.gz WNKKZCRFYHBAOP-ROUUACIJSA-N 1 1 293.370 2.824 20 30 CFEDMO C[N@@H+](CC(=O)NC1(C#N)CCC1)C1CCCCCCC1 ZINC000784338460 628807030 /nfs/dbraw/zinc/80/70/30/628807030.db2.gz ZQPHURQXFCVUQZ-UHFFFAOYSA-N 1 1 277.412 2.594 20 30 CFEDMO CC(C)[N@H+](CCO[C@H](C)C#N)CCN1CCCCCC1 ZINC000805760008 628809026 /nfs/dbraw/zinc/80/90/26/628809026.db2.gz ZMDLREITGXFPLZ-MRXNPFEDSA-N 1 1 281.444 2.501 20 30 CFEDMO CC(C)[N@@H+](CCO[C@H](C)C#N)CCN1CCCCCC1 ZINC000805760008 628809028 /nfs/dbraw/zinc/80/90/28/628809028.db2.gz ZMDLREITGXFPLZ-MRXNPFEDSA-N 1 1 281.444 2.501 20 30 CFEDMO N#Cc1ccc(CC[N@@H+]2CCc3cc(Cl)nnc3C2)cc1 ZINC000852203566 634686853 /nfs/dbraw/zinc/68/68/53/634686853.db2.gz DXQPRMZZIUXUII-UHFFFAOYSA-N 1 1 298.777 2.602 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCc3cc(Cl)nnc3C2)cc1 ZINC000852203566 634686857 /nfs/dbraw/zinc/68/68/57/634686857.db2.gz DXQPRMZZIUXUII-UHFFFAOYSA-N 1 1 298.777 2.602 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805764180 628830982 /nfs/dbraw/zinc/83/09/82/628830982.db2.gz YEBAQTFHGYKAOE-CQSZACIVSA-N 1 1 280.412 2.779 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3n2)C1 ZINC000852205921 634687946 /nfs/dbraw/zinc/68/79/46/634687946.db2.gz AYTIYWBESRESIA-CQSZACIVSA-N 1 1 265.360 2.865 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852206832 634689347 /nfs/dbraw/zinc/68/93/47/634689347.db2.gz SPZUUBPOGRQFCL-LBPRGKRZSA-N 1 1 276.311 2.969 20 30 CFEDMO C[N@@H+](Cc1cc(C2CC2)no1)C[C@@H](O)c1cccc(C#N)c1 ZINC000852210511 634690164 /nfs/dbraw/zinc/69/01/64/634690164.db2.gz GYPUZDUIGDJETM-QGZVFWFLSA-N 1 1 297.358 2.589 20 30 CFEDMO C[N@H+](Cc1cc(C2CC2)no1)C[C@@H](O)c1cccc(C#N)c1 ZINC000852210511 634690166 /nfs/dbraw/zinc/69/01/66/634690166.db2.gz GYPUZDUIGDJETM-QGZVFWFLSA-N 1 1 297.358 2.589 20 30 CFEDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCc1ccc(F)cc1C#N ZINC000785728183 628908056 /nfs/dbraw/zinc/90/80/56/628908056.db2.gz FGCHWTNPTAOMGD-VXGBXAGGSA-N 1 1 290.338 2.613 20 30 CFEDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCc1cccc(C#N)c1F ZINC000785730179 628908624 /nfs/dbraw/zinc/90/86/24/628908624.db2.gz GCEAYFAHYIDWBO-VXGBXAGGSA-N 1 1 290.338 2.613 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CC(=O)OC ZINC000785999407 628929782 /nfs/dbraw/zinc/92/97/82/628929782.db2.gz UJOLWQPSBNLUEC-MRXNPFEDSA-N 1 1 273.376 2.943 20 30 CFEDMO C=CCC[N@@H+](C)CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000786101892 628937044 /nfs/dbraw/zinc/93/70/44/628937044.db2.gz RMAOJNSVTVUJSP-GFCCVEGCSA-N 1 1 254.374 2.709 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000786101892 628937047 /nfs/dbraw/zinc/93/70/47/628937047.db2.gz RMAOJNSVTVUJSP-GFCCVEGCSA-N 1 1 254.374 2.709 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@@H](c2ccccc2C)CC1=O ZINC000786101056 628937214 /nfs/dbraw/zinc/93/72/14/628937214.db2.gz ILUHDUHEYGAUPX-HNNXBMFYSA-N 1 1 272.392 2.776 20 30 CFEDMO C=CCC[N@H+](C)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000786442416 628956994 /nfs/dbraw/zinc/95/69/94/628956994.db2.gz GHFVJURYYBHVAP-UHFFFAOYSA-N 1 1 273.332 2.810 20 30 CFEDMO C[N@@H+](CCCOC(=O)CC(C)(C)C#N)Cc1ccccc1 ZINC000786455642 628958232 /nfs/dbraw/zinc/95/82/32/628958232.db2.gz HEZHZFNUKKICRO-UHFFFAOYSA-N 1 1 288.391 2.992 20 30 CFEDMO C#CCOCC[N@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000787273810 629003935 /nfs/dbraw/zinc/00/39/35/629003935.db2.gz YPGCQPJFGPQWOB-UHFFFAOYSA-N 1 1 255.720 2.561 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)Cc1cc(C(=O)OC)ccc1Cl ZINC000787997018 629047241 /nfs/dbraw/zinc/04/72/41/629047241.db2.gz FPMJVVXPZSWYQQ-UHFFFAOYSA-N 1 1 279.767 2.970 20 30 CFEDMO C#CC(C)(C)[N@H+](C)Cc1cc(C(=O)OC)ccc1Cl ZINC000787997018 629047243 /nfs/dbraw/zinc/04/72/43/629047243.db2.gz FPMJVVXPZSWYQQ-UHFFFAOYSA-N 1 1 279.767 2.970 20 30 CFEDMO C#CCC1(C(=O)OCCn2cc[nH+]c2C)CCCCC1 ZINC000788218455 629051171 /nfs/dbraw/zinc/05/11/71/629051171.db2.gz RFXHIILDGRZTCY-UHFFFAOYSA-N 1 1 274.364 2.709 20 30 CFEDMO C#CCC1(C(=O)NCC[N@@H+]2CCC[C@H]2C)CCCCC1 ZINC000788221966 629052080 /nfs/dbraw/zinc/05/20/80/629052080.db2.gz BBDQRCAQOVXREA-OAHLLOKOSA-N 1 1 276.424 2.561 20 30 CFEDMO C=C(Br)C[N@H+]([C@H](C)CO)C1CCCC1 ZINC000788466024 629071391 /nfs/dbraw/zinc/07/13/91/629071391.db2.gz CWYCXNNVXIPXOQ-SNVBAGLBSA-N 1 1 262.191 2.520 20 30 CFEDMO C#CC[N@@H+](CC#CC)CC[C@@H](C)OCc1ccccc1 ZINC000789321792 629147339 /nfs/dbraw/zinc/14/73/39/629147339.db2.gz KSUDMLHUILVQLA-QGZVFWFLSA-N 1 1 269.388 2.940 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000852318980 634719587 /nfs/dbraw/zinc/71/95/87/634719587.db2.gz DCZIJFMCWIUIPH-OAHLLOKOSA-N 1 1 291.439 2.841 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000852318980 634719594 /nfs/dbraw/zinc/71/95/94/634719594.db2.gz DCZIJFMCWIUIPH-OAHLLOKOSA-N 1 1 291.439 2.841 20 30 CFEDMO C#CCCCCCC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000790584838 629250602 /nfs/dbraw/zinc/25/06/02/629250602.db2.gz XQUIVCWNBCUXNO-HNNXBMFYSA-N 1 1 278.440 2.807 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](CCC(=O)OCc2ccccc2)C1 ZINC000852319745 634720726 /nfs/dbraw/zinc/72/07/26/634720726.db2.gz RIFQEOUIMJMONV-HNNXBMFYSA-N 1 1 286.375 2.746 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000790932119 629272163 /nfs/dbraw/zinc/27/21/63/629272163.db2.gz UVCKQPVIENJKOM-KRWDZBQOSA-N 1 1 287.403 2.946 20 30 CFEDMO C#C[C@@H](CCC)NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000791016912 629281151 /nfs/dbraw/zinc/28/11/51/629281151.db2.gz HZMIRJNMIDORIG-GJZGRUSLSA-N 1 1 293.455 2.598 20 30 CFEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000852331618 634723496 /nfs/dbraw/zinc/72/34/96/634723496.db2.gz NRRSFFLNEJZCMG-AEFFLSMTSA-N 1 1 299.418 2.755 20 30 CFEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000852331618 634723501 /nfs/dbraw/zinc/72/35/01/634723501.db2.gz NRRSFFLNEJZCMG-AEFFLSMTSA-N 1 1 299.418 2.755 20 30 CFEDMO CC[C@@H](C)C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330589 634723988 /nfs/dbraw/zinc/72/39/88/634723988.db2.gz RHVQHRISJBPJHR-ZBFHGGJFSA-N 1 1 257.381 2.985 20 30 CFEDMO CC[C@@H](C)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330589 634723992 /nfs/dbraw/zinc/72/39/92/634723992.db2.gz RHVQHRISJBPJHR-ZBFHGGJFSA-N 1 1 257.381 2.985 20 30 CFEDMO C=CC[N@@H+](Cc1ccc2c(c1)COC2)[C@H](C)COC ZINC000852356366 634731077 /nfs/dbraw/zinc/73/10/77/634731077.db2.gz CKHFXJHZIUOBJE-CYBMUJFWSA-N 1 1 261.365 2.740 20 30 CFEDMO C=CC[N@@H+](Cc1ccnc(Br)c1)[C@@H](C)COC ZINC000852356313 634731171 /nfs/dbraw/zinc/73/11/71/634731171.db2.gz ASAJEVRWJYPLNX-NSHDSACASA-N 1 1 299.212 2.867 20 30 CFEDMO C=CC[N@H+](Cc1cnc(Cl)c(F)c1)[C@H](C)COC ZINC000852356618 634731550 /nfs/dbraw/zinc/73/15/50/634731550.db2.gz JTCXDSSJDOAUDQ-SNVBAGLBSA-N 1 1 272.751 2.897 20 30 CFEDMO C=CC[N@@H+](Cc1cnc(Cl)c(F)c1)[C@H](C)COC ZINC000852356618 634731553 /nfs/dbraw/zinc/73/15/53/634731553.db2.gz JTCXDSSJDOAUDQ-SNVBAGLBSA-N 1 1 272.751 2.897 20 30 CFEDMO C=CCCC[N@H+](C)CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000792229526 629412782 /nfs/dbraw/zinc/41/27/82/629412782.db2.gz MHPRNCUEDHJHQR-UHFFFAOYSA-N 1 1 289.423 2.979 20 30 CFEDMO CCCCCCCCC[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000792278116 629416258 /nfs/dbraw/zinc/41/62/58/629416258.db2.gz QQEMYUVYOXERMY-OAHLLOKOSA-N 1 1 257.418 2.820 20 30 CFEDMO C=C(C)C[N@H+](C)CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000792279598 629416647 /nfs/dbraw/zinc/41/66/47/629416647.db2.gz DZZGZOQAOGLBTQ-UHFFFAOYSA-N 1 1 275.396 2.589 20 30 CFEDMO C#CC[N@@H+](C)CCOc1cc(Cl)ccc1Cl ZINC000792303183 629419409 /nfs/dbraw/zinc/41/94/09/629419409.db2.gz ZPXYASBAMJKHPE-UHFFFAOYSA-N 1 1 258.148 2.937 20 30 CFEDMO C=CC[N@H+](CCOC)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000792407759 629424456 /nfs/dbraw/zinc/42/44/56/629424456.db2.gz WULOWEBZBJELAI-CQSZACIVSA-N 1 1 287.762 2.647 20 30 CFEDMO C=CC[N@@H+](Cc1ccc2c(c1)sc(=O)n2C)C(C)C ZINC000792792744 629452617 /nfs/dbraw/zinc/45/26/17/629452617.db2.gz AWOXHSFOOUKPMP-UHFFFAOYSA-N 1 1 276.405 2.996 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](Cc2ccnc(N(C)C)c2)C1 ZINC000852410649 634740340 /nfs/dbraw/zinc/74/03/40/634740340.db2.gz OSXPBFYJOJCZPQ-AWEZNQCLSA-N 1 1 259.397 2.936 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](C[C@@H]2CC(C(=O)OC)=C(C)O2)C1 ZINC000852408818 634740557 /nfs/dbraw/zinc/74/05/57/634740557.db2.gz BEFDCMLSNRPMPC-KBPBESRZSA-N 1 1 279.380 2.510 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1 ZINC000793215762 629507036 /nfs/dbraw/zinc/50/70/36/629507036.db2.gz WLOCZOXHHONBBM-KSSFIOAISA-N 1 1 285.387 2.698 20 30 CFEDMO C[C@@H]1CC(N=Nc2ncncc2F)C[N@H+]1Cc1ccccc1 ZINC000793225156 629509130 /nfs/dbraw/zinc/50/91/30/629509130.db2.gz IDQNOPCKUOAABL-GFCCVEGCSA-N 1 1 299.353 2.678 20 30 CFEDMO C#CCCOc1ccc(C[NH2+]Cc2cccnc2F)cc1 ZINC000793282948 629520482 /nfs/dbraw/zinc/52/04/82/629520482.db2.gz BLOBKUSKVQXTNI-UHFFFAOYSA-N 1 1 284.334 2.913 20 30 CFEDMO CC[C@@H]1CCC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793483993 629554942 /nfs/dbraw/zinc/55/49/42/629554942.db2.gz QCCVLVDEUZYHJW-CQSZACIVSA-N 1 1 299.418 2.678 20 30 CFEDMO CC[C@@H]1CCC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793483993 629554946 /nfs/dbraw/zinc/55/49/46/629554946.db2.gz QCCVLVDEUZYHJW-CQSZACIVSA-N 1 1 299.418 2.678 20 30 CFEDMO CCCC[N@H+](Cn1cc2c(c(C#N)c1=O)CCCC2)C1CC1 ZINC000793484560 629555180 /nfs/dbraw/zinc/55/51/80/629555180.db2.gz SPKIVTCJAQYLLW-UHFFFAOYSA-N 1 1 299.418 2.821 20 30 CFEDMO CCCC[N@@H+](Cn1cc2c(c(C#N)c1=O)CCCC2)C1CC1 ZINC000793484560 629555184 /nfs/dbraw/zinc/55/51/84/629555184.db2.gz SPKIVTCJAQYLLW-UHFFFAOYSA-N 1 1 299.418 2.821 20 30 CFEDMO C[N@H+](Cn1cc2c(c(C#N)c1=O)CCCC2)CC(C)(C)C ZINC000793498758 629556669 /nfs/dbraw/zinc/55/66/69/629556669.db2.gz MWYJSRDDCDLTQN-UHFFFAOYSA-N 1 1 287.407 2.534 20 30 CFEDMO C[N@@H+](Cn1cc2c(c(C#N)c1=O)CCCC2)CC(C)(C)C ZINC000793498758 629556671 /nfs/dbraw/zinc/55/66/71/629556671.db2.gz MWYJSRDDCDLTQN-UHFFFAOYSA-N 1 1 287.407 2.534 20 30 CFEDMO CC[C@]1(C)CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793506154 629557922 /nfs/dbraw/zinc/55/79/22/629557922.db2.gz SOBHJACTKADBHC-GOSISDBHSA-N 1 1 299.418 2.678 20 30 CFEDMO CC[C@]1(C)CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793506154 629557925 /nfs/dbraw/zinc/55/79/25/629557925.db2.gz SOBHJACTKADBHC-GOSISDBHSA-N 1 1 299.418 2.678 20 30 CFEDMO C[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)[C@H]1CCO ZINC000852455171 634750184 /nfs/dbraw/zinc/75/01/84/634750184.db2.gz FBAKTRPXYFPLBB-YOEHRIQHSA-N 1 1 288.391 2.572 20 30 CFEDMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc(F)cc1C#N)C2 ZINC000852463902 634750835 /nfs/dbraw/zinc/75/08/35/634750835.db2.gz YHOSSFBWLBJMIE-IYBDPMFKSA-N 1 1 274.339 2.556 20 30 CFEDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc(F)cc1C#N)C2 ZINC000852463902 634750840 /nfs/dbraw/zinc/75/08/40/634750840.db2.gz YHOSSFBWLBJMIE-IYBDPMFKSA-N 1 1 274.339 2.556 20 30 CFEDMO FC(F)(F)OCC(=NNc1cc[nH+]cc1)c1ccccc1 ZINC000794531162 629655123 /nfs/dbraw/zinc/65/51/23/629655123.db2.gz RHEPENZZDSCAFO-UHFFFAOYSA-N 1 1 295.264 2.856 20 30 CFEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(N)=NOCCC(C)(C)C#N ZINC000794528623 629655163 /nfs/dbraw/zinc/65/51/63/629655163.db2.gz QHKSRXFLFPYCPP-BETUJISGSA-N 1 1 280.416 2.688 20 30 CFEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1C[C@H](C)CC1=O ZINC000794650084 629671466 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C[C@H](C#N)OCC[N@H+]1[C@H](C)CO[C@@H](c2ccccc2)[C@@H]1C ZINC000801920497 630487992 /nfs/dbraw/zinc/48/79/92/630487992.db2.gz QUMZRYBENRBPID-PNBKFKSVSA-N 1 1 288.391 2.766 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCSC2(CCCCC2)C1 ZINC000801925341 630489373 /nfs/dbraw/zinc/48/93/73/630489373.db2.gz BDWNPLDPOHQEPZ-CYBMUJFWSA-N 1 1 268.426 2.667 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000801933581 630490856 /nfs/dbraw/zinc/49/08/56/630490856.db2.gz AHRKYUVOEYHXHY-QWHCGFSZSA-N 1 1 292.404 2.714 20 30 CFEDMO CCCOc1ccc2c(c1)CC[N@H+](CCO[C@H](C)C#N)C2 ZINC000801935394 630491508 /nfs/dbraw/zinc/49/15/08/630491508.db2.gz YSSBHPCZNYGQJE-CQSZACIVSA-N 1 1 288.391 2.762 20 30 CFEDMO CCCOc1ccc2c(c1)CC[N@H+](CCO[C@@H](C)C#N)C2 ZINC000801935391 630491672 /nfs/dbraw/zinc/49/16/72/630491672.db2.gz YSSBHPCZNYGQJE-AWEZNQCLSA-N 1 1 288.391 2.762 20 30 CFEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CCO[C@@H](C)C#N ZINC000801941866 630492728 /nfs/dbraw/zinc/49/27/28/630492728.db2.gz 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C#C[C@@H]1CCC[N@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000847017541 632882144 /nfs/dbraw/zinc/88/21/44/632882144.db2.gz CKCBTBCDOGKFTO-MRXNPFEDSA-N 1 1 296.414 2.701 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000847022657 632887117 /nfs/dbraw/zinc/88/71/17/632887117.db2.gz ILTKBFNPLGDIHT-JKSUJKDBSA-N 1 1 284.403 2.976 20 30 CFEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000847022657 632887127 /nfs/dbraw/zinc/88/71/27/632887127.db2.gz ILTKBFNPLGDIHT-JKSUJKDBSA-N 1 1 284.403 2.976 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C)ccc2C)C1 ZINC000847022432 632887618 /nfs/dbraw/zinc/88/76/18/632887618.db2.gz HRGKRJGEVJABRV-OAHLLOKOSA-N 1 1 270.376 2.587 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C)ccc2C)C1 ZINC000847022432 632887623 /nfs/dbraw/zinc/88/76/23/632887623.db2.gz HRGKRJGEVJABRV-OAHLLOKOSA-N 1 1 270.376 2.587 20 30 CFEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000847023714 632888833 /nfs/dbraw/zinc/88/88/33/632888833.db2.gz NYGQHRNCJSYILP-OLZOCXBDSA-N 1 1 282.347 2.538 20 30 CFEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc(-c3cccnc3)no2)C1 ZINC000847023714 632888838 /nfs/dbraw/zinc/88/88/38/632888838.db2.gz NYGQHRNCJSYILP-OLZOCXBDSA-N 1 1 282.347 2.538 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(CC)cc2)C1 ZINC000847023879 632889586 /nfs/dbraw/zinc/88/95/86/632889586.db2.gz GCKMJIKMEJNLBX-OAHLLOKOSA-N 1 1 270.376 2.533 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(CC)cc2)C1 ZINC000847023879 632889592 /nfs/dbraw/zinc/88/95/92/632889592.db2.gz GCKMJIKMEJNLBX-OAHLLOKOSA-N 1 1 270.376 2.533 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000847025532 632890573 /nfs/dbraw/zinc/89/05/73/632890573.db2.gz CDCGZAKIYYXZKW-GFCCVEGCSA-N 1 1 275.323 2.537 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000847025532 632890584 /nfs/dbraw/zinc/89/05/84/632890584.db2.gz CDCGZAKIYYXZKW-GFCCVEGCSA-N 1 1 275.323 2.537 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000847025537 632890851 /nfs/dbraw/zinc/89/08/51/632890851.db2.gz CDCGZAKIYYXZKW-LBPRGKRZSA-N 1 1 275.323 2.537 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)cc3c2OCOC3)C1 ZINC000847025537 632890854 /nfs/dbraw/zinc/89/08/54/632890854.db2.gz CDCGZAKIYYXZKW-LBPRGKRZSA-N 1 1 275.323 2.537 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000847026637 632892662 /nfs/dbraw/zinc/89/26/62/632892662.db2.gz QHQKDTXQGVRKFJ-CYBMUJFWSA-N 1 1 288.347 2.839 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000847026637 632892665 /nfs/dbraw/zinc/89/26/65/632892665.db2.gz QHQKDTXQGVRKFJ-CYBMUJFWSA-N 1 1 288.347 2.839 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000847027578 632893169 /nfs/dbraw/zinc/89/31/69/632893169.db2.gz VAJUFUPJTHHKNS-NSHDSACASA-N 1 1 258.296 2.812 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000847027578 632893177 /nfs/dbraw/zinc/89/31/77/632893177.db2.gz VAJUFUPJTHHKNS-NSHDSACASA-N 1 1 258.296 2.812 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N(CC)C2CCCCC2)C1 ZINC000847030316 632893668 /nfs/dbraw/zinc/89/36/68/632893668.db2.gz PZUVEIZOXKUMEY-OAHLLOKOSA-N 1 1 276.424 2.513 20 30 CFEDMO CC(C)C#CC(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000847090622 632916957 /nfs/dbraw/zinc/91/69/57/632916957.db2.gz KQZOYZKRRCETOK-IBGZPJMESA-N 1 1 298.430 2.674 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000847091044 632917238 /nfs/dbraw/zinc/91/72/38/632917238.db2.gz ZPXLXDVYKCNPFZ-DZGCQCFKSA-N 1 1 250.386 2.960 20 30 CFEDMO C[C@H](C#N)C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819048238 632943339 /nfs/dbraw/zinc/94/33/39/632943339.db2.gz VOTKHDFJBJMGQJ-PELKAZGASA-N 1 1 273.163 2.776 20 30 CFEDMO C=CCN(C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)C(C)C ZINC000847445271 632988518 /nfs/dbraw/zinc/98/85/18/632988518.db2.gz URRKRMYAQYZBOE-LSDHHAIUSA-N 1 1 279.428 2.609 20 30 CFEDMO N#CC1(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819280972 633052167 /nfs/dbraw/zinc/05/21/67/633052167.db2.gz QGITWUHIYBLVAW-GFCCVEGCSA-N 1 1 285.174 2.920 20 30 CFEDMO N#CC1(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)CCC1 ZINC000819377034 633139267 /nfs/dbraw/zinc/13/92/67/633139267.db2.gz IUNATSBDKHCCNL-CYBMUJFWSA-N 1 1 282.746 2.796 20 30 CFEDMO C#C[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000848080460 633199014 /nfs/dbraw/zinc/19/90/14/633199014.db2.gz IWCBIXSGKOLANT-IRXDYDNUSA-N 1 1 298.430 2.673 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cccc(C(C)(C)C)c1 ZINC000848142421 633209219 /nfs/dbraw/zinc/20/92/19/633209219.db2.gz IGGMLCXZXFGSEO-UHFFFAOYSA-N 1 1 286.419 2.669 20 30 CFEDMO COc1ccc(CNN=C2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000848403389 633249372 /nfs/dbraw/zinc/24/93/72/633249372.db2.gz RXCKDGNAIIZWBY-QGZVFWFLSA-N 1 1 287.407 2.789 20 30 CFEDMO C[C@H](NN=C1CCC[N@H+]2CCCC[C@H]12)c1ccncc1 ZINC000848411959 633252733 /nfs/dbraw/zinc/25/27/33/633252733.db2.gz GJPITAAKOKCDAP-XJKSGUPXSA-N 1 1 272.396 2.737 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000848493066 633266401 /nfs/dbraw/zinc/26/64/01/633266401.db2.gz IYERCMCYZASIKI-OAHLLOKOSA-N 1 1 290.370 2.724 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000848494487 633267411 /nfs/dbraw/zinc/26/74/11/633267411.db2.gz XQXFYJQZIZANOK-NSHDSACASA-N 1 1 290.750 2.551 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000848494487 633267414 /nfs/dbraw/zinc/26/74/14/633267414.db2.gz XQXFYJQZIZANOK-NSHDSACASA-N 1 1 290.750 2.551 20 30 CFEDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1ccc(C#N)cc1Cl ZINC000848516706 633271301 /nfs/dbraw/zinc/27/13/01/633271301.db2.gz BDVHAOWUQAFPSW-GZMMTYOYSA-N 1 1 263.728 2.866 20 30 CFEDMO C#CCOc1ccccc1C[NH2+][C@H]1CCCn2ccnc21 ZINC000848533727 633280003 /nfs/dbraw/zinc/28/00/03/633280003.db2.gz JYWZBBRYQCJQAY-HNNXBMFYSA-N 1 1 281.359 2.520 20 30 CFEDMO CCc1cnccc1-c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848624056 633302311 /nfs/dbraw/zinc/30/23/11/633302311.db2.gz PSHRMYXCOUBGFT-CYBMUJFWSA-N 1 1 285.351 2.778 20 30 CFEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc(O)cc2F)no1 ZINC000848628559 633302962 /nfs/dbraw/zinc/30/29/62/633302962.db2.gz WOVHQDDUEURAQC-LBPRGKRZSA-N 1 1 290.298 2.665 20 30 CFEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2ccc(O)cc2F)no1 ZINC000848628558 633303259 /nfs/dbraw/zinc/30/32/59/633303259.db2.gz WOVHQDDUEURAQC-GFCCVEGCSA-N 1 1 290.298 2.665 20 30 CFEDMO C=C(C)COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848776351 633341787 /nfs/dbraw/zinc/34/17/87/633341787.db2.gz YSQQMXZQFZYRBM-HNNXBMFYSA-N 1 1 259.349 2.628 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cn(-c2ccccc2F)nc1C ZINC000848906980 633393428 /nfs/dbraw/zinc/39/34/28/633393428.db2.gz GGUKKUVNVQKYFZ-GFCCVEGCSA-N 1 1 271.339 2.773 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cn(-c2ccccc2F)nc1C ZINC000848906980 633393431 /nfs/dbraw/zinc/39/34/31/633393431.db2.gz GGUKKUVNVQKYFZ-GFCCVEGCSA-N 1 1 271.339 2.773 20 30 CFEDMO CC(C)c1ccccc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000848919888 633403168 /nfs/dbraw/zinc/40/31/68/633403168.db2.gz USECLSKICLLSFR-INIZCTEOSA-N 1 1 258.365 2.660 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000848923048 633405235 /nfs/dbraw/zinc/40/52/35/633405235.db2.gz CZPSJKZQVNVAJX-CQSZACIVSA-N 1 1 295.386 2.931 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000848924118 633405798 /nfs/dbraw/zinc/40/57/98/633405798.db2.gz OADSAWZJDWQBPM-OAHLLOKOSA-N 1 1 256.393 2.906 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000848923941 633406528 /nfs/dbraw/zinc/40/65/28/633406528.db2.gz TUSCULCMYOCICK-CYBMUJFWSA-N 1 1 269.348 2.823 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000848924677 633407343 /nfs/dbraw/zinc/40/73/43/633407343.db2.gz XWGACKQLWXIBNX-HNNXBMFYSA-N 1 1 269.388 2.899 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000848924305 633407424 /nfs/dbraw/zinc/40/74/24/633407424.db2.gz PORAPMHJJSFILM-ZDUSSCGKSA-N 1 1 260.356 2.737 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000848924719 633407562 /nfs/dbraw/zinc/40/75/62/633407562.db2.gz YUKNAMXKFWRORH-AWEZNQCLSA-N 1 1 292.423 2.637 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000848929320 633412539 /nfs/dbraw/zinc/41/25/39/633412539.db2.gz VRYNZJUWFHYTDI-GFCCVEGCSA-N 1 1 293.794 2.697 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000848929320 633412541 /nfs/dbraw/zinc/41/25/41/633412541.db2.gz VRYNZJUWFHYTDI-GFCCVEGCSA-N 1 1 293.794 2.697 20 30 CFEDMO CC[N@H+]1CCC[C@H]1CNc1nnc(-c2cccc(C#N)c2)o1 ZINC000849158969 633571714 /nfs/dbraw/zinc/57/17/14/633571714.db2.gz IQLYOJMKXZTNSR-AWEZNQCLSA-N 1 1 297.362 2.504 20 30 CFEDMO COc1ccc(O)c(/C=N/C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000849169747 633578259 /nfs/dbraw/zinc/57/82/59/633578259.db2.gz IDMQXXACBUCJBS-VZWMTCDZSA-N 1 1 276.380 2.693 20 30 CFEDMO C=C(Cl)CNc1ccccc1C[NH+]1CCOCC1 ZINC000849313735 633612929 /nfs/dbraw/zinc/61/29/29/633612929.db2.gz LGESNWORTUXONF-UHFFFAOYSA-N 1 1 266.772 2.683 20 30 CFEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2nc(C)c[nH]2)c1 ZINC000850137869 633853510 /nfs/dbraw/zinc/85/35/10/633853510.db2.gz XSMVJEFJKLLPKS-AWEZNQCLSA-N 1 1 284.363 2.689 20 30 CFEDMO C=C(Cl)C[NH2+]Cc1cncc(Br)c1C ZINC000850147525 633856143 /nfs/dbraw/zinc/85/61/43/633856143.db2.gz XLRNXZDVNIOVEC-UHFFFAOYSA-N 1 1 275.577 2.995 20 30 CFEDMO Cn1ncc(C2CC2)c1C[NH2+]Cc1cc(C#N)ccc1F ZINC000850161841 633863494 /nfs/dbraw/zinc/86/34/94/633863494.db2.gz NRJHWYUPSSBLLX-UHFFFAOYSA-N 1 1 284.338 2.598 20 30 CFEDMO COc1ccc(C[NH2+]Cc2nccn2C(C)C)cc1C#N ZINC000850221154 633900726 /nfs/dbraw/zinc/90/07/26/633900726.db2.gz CPUMXLPVUDXSFR-UHFFFAOYSA-N 1 1 284.363 2.634 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cscc2C(F)F)C1 ZINC001014477544 651186250 /nfs/dbraw/zinc/18/62/50/651186250.db2.gz KEPXUXHFBWGRNA-VIFPVBQESA-N 1 1 286.347 2.676 20 30 CFEDMO C#CCOc1ccccc1CN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000850351701 633950712 /nfs/dbraw/zinc/95/07/12/633950712.db2.gz RNAXJNRPNWQPMV-MRXNPFEDSA-N 1 1 286.419 2.661 20 30 CFEDMO C#CCOc1ccccc1C[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000850351701 633950715 /nfs/dbraw/zinc/95/07/15/633950715.db2.gz RNAXJNRPNWQPMV-MRXNPFEDSA-N 1 1 286.419 2.661 20 30 CFEDMO C=C[C@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000850573361 634058602 /nfs/dbraw/zinc/05/86/02/634058602.db2.gz YNJQJQOVUCOONJ-DTWKUNHWSA-N 1 1 275.270 2.609 20 30 CFEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)C[C@H]1CCCOC1 ZINC000111162711 634935688 /nfs/dbraw/zinc/93/56/88/634935688.db2.gz QBHGNXQMJSNFER-MRXNPFEDSA-N 1 1 288.391 2.686 20 30 CFEDMO CC[N@@H+](CCNc1nc(C#N)c(Cl)s1)C(C)C ZINC000853254459 634953182 /nfs/dbraw/zinc/95/31/82/634953182.db2.gz ZHRNMNQKUBZVRS-UHFFFAOYSA-N 1 1 272.805 2.810 20 30 CFEDMO C#Cc1cccnc1N1CCC[N@H+](C2CCCC2)CC1 ZINC000853360854 634983780 /nfs/dbraw/zinc/98/37/80/634983780.db2.gz IZXYSZXZZLTXHF-UHFFFAOYSA-N 1 1 269.392 2.518 20 30 CFEDMO C[C@H]1CCCCN1[NH+]=C1CCCc2nc(N)sc21 ZINC000853381969 634988788 /nfs/dbraw/zinc/98/87/88/634988788.db2.gz POODOZYRTSYHPB-VIFPVBQESA-N 1 1 264.398 2.640 20 30 CFEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccc([N+](=O)[O-])cc1F ZINC000853397026 634993837 /nfs/dbraw/zinc/99/38/37/634993837.db2.gz TYBPSXXSZWKZOP-VIFPVBQESA-N 1 1 292.314 2.616 20 30 CFEDMO CC(=[NH+]OCC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000853440570 635000744 /nfs/dbraw/zinc/00/07/44/635000744.db2.gz DPMGAUCEWHIRFT-UHFFFAOYSA-N 1 1 263.297 2.718 20 30 CFEDMO C=CCN1CCN(C[N@@H+](C)C[C@@H]2CCc3ccccc32)C1=O ZINC000853609469 635048574 /nfs/dbraw/zinc/04/85/74/635048574.db2.gz JHCZLLLBDBQTLR-INIZCTEOSA-N 1 1 299.418 2.529 20 30 CFEDMO C#CCC[N@@H+](CCOC)Cn1c2ccccc2oc1=S ZINC000853620237 635050194 /nfs/dbraw/zinc/05/01/94/635050194.db2.gz WAGXAHXZNHHJNA-UHFFFAOYSA-N 1 1 290.388 2.893 20 30 CFEDMO C#CCC[N@H+](CCOC)Cn1c2ccccc2oc1=S ZINC000853620237 635050196 /nfs/dbraw/zinc/05/01/96/635050196.db2.gz WAGXAHXZNHHJNA-UHFFFAOYSA-N 1 1 290.388 2.893 20 30 CFEDMO C#Cc1cccc(NC(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)c1 ZINC000854262855 635274860 /nfs/dbraw/zinc/27/48/60/635274860.db2.gz MTNBOJQSIGUTMN-INIZCTEOSA-N 1 1 285.391 2.616 20 30 CFEDMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C#CC(C)C ZINC000854515246 635322719 /nfs/dbraw/zinc/32/27/19/635322719.db2.gz QQMFMMFMFUVENY-SJLPKXTDSA-N 1 1 296.414 2.789 20 30 CFEDMO C#C[C@@](C)(CC)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000854699379 635371980 /nfs/dbraw/zinc/37/19/80/635371980.db2.gz WJCVEMZEBCRVFH-PBHICJAKSA-N 1 1 276.424 2.559 20 30 CFEDMO C#C[C@](C)(CC)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000854699380 635372053 /nfs/dbraw/zinc/37/20/53/635372053.db2.gz WJCVEMZEBCRVFH-RHSMWYFYSA-N 1 1 276.424 2.559 20 30 CFEDMO C=CCCCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000855162066 635472364 /nfs/dbraw/zinc/47/23/64/635472364.db2.gz UIPUMHARTXHRHB-ZDUSSCGKSA-N 1 1 252.402 2.579 20 30 CFEDMO C#CCOc1ccc(CNCC[N@H+](C)[C@@H](C)CC)cc1 ZINC000113333598 635554303 /nfs/dbraw/zinc/55/43/03/635554303.db2.gz OUQIGNRPTMXJOH-HNNXBMFYSA-N 1 1 274.408 2.519 20 30 CFEDMO C#CCOc1ccc(C[NH2+]CCN(C)[C@@H](C)CC)cc1 ZINC000113333598 635554310 /nfs/dbraw/zinc/55/43/10/635554310.db2.gz OUQIGNRPTMXJOH-HNNXBMFYSA-N 1 1 274.408 2.519 20 30 CFEDMO C#CCCOc1ccc(C[NH2+]C[C@H]2CCCN(C)C2)cc1 ZINC000113340205 635554765 /nfs/dbraw/zinc/55/47/65/635554765.db2.gz QAZCFZLMAHFZKH-QGZVFWFLSA-N 1 1 286.419 2.520 20 30 CFEDMO C#CCCOc1ccc(CNC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000113340205 635554768 /nfs/dbraw/zinc/55/47/68/635554768.db2.gz QAZCFZLMAHFZKH-QGZVFWFLSA-N 1 1 286.419 2.520 20 30 CFEDMO C#CCCOc1ccc(CNC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000113340205 635554770 /nfs/dbraw/zinc/55/47/70/635554770.db2.gz QAZCFZLMAHFZKH-QGZVFWFLSA-N 1 1 286.419 2.520 20 30 CFEDMO C#CCCOc1ccc(CN[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000113340037 635555329 /nfs/dbraw/zinc/55/53/29/635555329.db2.gz ZXMYYGTZUKLBBA-SFHVURJKSA-N 1 1 298.430 2.663 20 30 CFEDMO C#CCCOc1ccc(CN[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000113340037 635555335 /nfs/dbraw/zinc/55/53/35/635555335.db2.gz ZXMYYGTZUKLBBA-SFHVURJKSA-N 1 1 298.430 2.663 20 30 CFEDMO C#CCCCCCC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1 ZINC000855490697 635565719 /nfs/dbraw/zinc/56/57/19/635565719.db2.gz JVYHCWNPSPBNAX-HNNXBMFYSA-N 1 1 264.413 2.513 20 30 CFEDMO C=C(Br)C[N@H+]1CCC[C@H](COCC)C1 ZINC000113998002 635748005 /nfs/dbraw/zinc/74/80/05/635748005.db2.gz VRLFLQDDBOMWSM-NSHDSACASA-N 1 1 262.191 2.644 20 30 CFEDMO C=C(Br)C[N@@H+]1CCC[C@H](COCC)C1 ZINC000113998002 635748012 /nfs/dbraw/zinc/74/80/12/635748012.db2.gz VRLFLQDDBOMWSM-NSHDSACASA-N 1 1 262.191 2.644 20 30 CFEDMO C=CCC(F)(F)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000856357884 635796750 /nfs/dbraw/zinc/79/67/50/635796750.db2.gz OGSQRAQVWOLUNI-CQSZACIVSA-N 1 1 294.345 2.589 20 30 CFEDMO C=CCC(F)(F)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000856357884 635796756 /nfs/dbraw/zinc/79/67/56/635796756.db2.gz OGSQRAQVWOLUNI-CQSZACIVSA-N 1 1 294.345 2.589 20 30 CFEDMO CC1(C)CC[C@H](CO)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000856805315 635865524 /nfs/dbraw/zinc/86/55/24/635865524.db2.gz MWZFDGLZYFZZNX-LLVKDONJSA-N 1 1 264.394 2.603 20 30 CFEDMO C[C@H]1CC(N=Nc2nc3cccnc3s2)C[N@@H+]1C1CC1 ZINC000857219210 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CCC#C[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000860095837 636785631 /nfs/dbraw/zinc/78/56/31/636785631.db2.gz SSQNFBNXKDLNDA-OLZOCXBDSA-N 1 1 268.401 2.633 20 30 CFEDMO CCOC[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000081519903 636789730 /nfs/dbraw/zinc/78/97/30/636789730.db2.gz MPSOCXXWMWODJU-INIZCTEOSA-N 1 1 288.391 2.686 20 30 CFEDMO C#CCOc1ccc([C@H](C)OC(=O)Cn2c[nH+]cc2C)cc1 ZINC000860533268 636906738 /nfs/dbraw/zinc/90/67/38/636906738.db2.gz RKZRJCGXSUIWAJ-AWEZNQCLSA-N 1 1 298.342 2.508 20 30 CFEDMO C#CC[N@H+](CC#CC)Cc1ccc(OC)c(OC2CC2)c1 ZINC000862246647 637298755 /nfs/dbraw/zinc/29/87/55/637298755.db2.gz LYWSGIFICJZKFN-UHFFFAOYSA-N 1 1 283.371 2.695 20 30 CFEDMO C#CC[N@@H+](CC#CC)Cc1ccc(OC)c(OC2CC2)c1 ZINC000862246647 637298759 /nfs/dbraw/zinc/29/87/59/637298759.db2.gz LYWSGIFICJZKFN-UHFFFAOYSA-N 1 1 283.371 2.695 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)cc1 ZINC000862273474 637306812 /nfs/dbraw/zinc/30/68/12/637306812.db2.gz HSFIYQDNXYPBQE-UHFFFAOYSA-N 1 1 253.305 2.713 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(OCC)c(OC)cc1F ZINC000862348979 637325045 /nfs/dbraw/zinc/32/50/45/637325045.db2.gz LUFDCQMCHYDTHV-NSHDSACASA-N 1 1 265.328 2.687 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1cc(OCC)c(OC)cc1F ZINC000862348979 637325054 /nfs/dbraw/zinc/32/50/54/637325054.db2.gz LUFDCQMCHYDTHV-NSHDSACASA-N 1 1 265.328 2.687 20 30 CFEDMO C#C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000862374309 637343775 /nfs/dbraw/zinc/34/37/75/637343775.db2.gz KKCFKIGSVPKRTD-HZPDHXFCSA-N 1 1 274.383 2.962 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2Br)C1 ZINC000862410451 637365177 /nfs/dbraw/zinc/36/51/77/637365177.db2.gz ZYDPXGVRYHOTEB-LLVKDONJSA-N 1 1 298.228 2.971 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000862442695 637381550 /nfs/dbraw/zinc/38/15/50/637381550.db2.gz FTNZHZSCDQJSGM-CYBMUJFWSA-N 1 1 259.349 2.549 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2c(Cl)nc3ccccn32)C1 ZINC000862442778 637382086 /nfs/dbraw/zinc/38/20/86/637382086.db2.gz HPZHEZDKZKSNCV-GFCCVEGCSA-N 1 1 273.767 2.833 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2nn(CC)c3ccccc23)C1 ZINC000862444623 637384564 /nfs/dbraw/zinc/38/45/64/637384564.db2.gz DIWOGZFGJYOCIY-CQSZACIVSA-N 1 1 267.376 2.901 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000862444923 637386067 /nfs/dbraw/zinc/38/60/67/637386067.db2.gz IYODXVBDWASWOP-GJZGRUSLSA-N 1 1 268.360 2.823 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000862447083 637386769 /nfs/dbraw/zinc/38/67/69/637386769.db2.gz IJFREUVVWCIOLM-OAHLLOKOSA-N 1 1 279.387 2.932 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(C)c(Br)cn2)C1 ZINC000862447557 637386996 /nfs/dbraw/zinc/38/69/96/637386996.db2.gz OAUXUCWGFRWSPY-GFCCVEGCSA-N 1 1 293.208 2.998 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000862447532 637387593 /nfs/dbraw/zinc/38/75/93/637387593.db2.gz NRPRYRSYVXYHOL-CQSZACIVSA-N 1 1 292.423 2.637 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000862447793 637388816 /nfs/dbraw/zinc/38/88/16/637388816.db2.gz QZGDYPQPQQAGST-YJBOKZPZSA-N 1 1 285.387 2.700 20 30 CFEDMO C=CC[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC000862543295 637416644 /nfs/dbraw/zinc/41/66/44/637416644.db2.gz GFVAIEFOZCDJKX-HNNXBMFYSA-N 1 1 266.429 2.923 20 30 CFEDMO C#CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000862574782 637440315 /nfs/dbraw/zinc/44/03/15/637440315.db2.gz MXHXAQPAURJURN-RDJZCZTQSA-N 1 1 288.435 2.655 20 30 CFEDMO C=CCC(F)(F)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000862627707 637455267 /nfs/dbraw/zinc/45/52/67/637455267.db2.gz CVXMZLRPQBAPJM-CYBMUJFWSA-N 1 1 286.366 2.721 20 30 CFEDMO C#CCCCCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000119096075 637499777 /nfs/dbraw/zinc/49/97/77/637499777.db2.gz CRGAMZBSMJEPEC-HOTGVXAUSA-N 1 1 290.451 2.949 20 30 CFEDMO C[NH+]1CCN(N=Cc2c[nH]c3cc(F)c(Cl)cc23)CC1 ZINC000863064473 637547334 /nfs/dbraw/zinc/54/73/34/637547334.db2.gz JKDZFJQTXMFMCV-UHFFFAOYSA-N 1 1 294.761 2.542 20 30 CFEDMO CCC(=[NH+]NC(=S)NC(C)(C)C)c1ccc(N)cc1 ZINC000863070968 637549361 /nfs/dbraw/zinc/54/93/61/637549361.db2.gz BWTJPNVLBMNKGP-UHFFFAOYSA-N 1 1 278.425 2.646 20 30 CFEDMO C[N@H+]1CCC(N=Nc2ncnc3sccc32)CC1(C)C ZINC000863075463 637550528 /nfs/dbraw/zinc/55/05/28/637550528.db2.gz PGTLHTPWLCULFE-UHFFFAOYSA-N 1 1 289.408 2.963 20 30 CFEDMO CCCCN[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863079963 637551281 /nfs/dbraw/zinc/55/12/81/637551281.db2.gz HGGHMRRPYHJRKA-UHFFFAOYSA-N 1 1 255.312 2.754 20 30 CFEDMO CC(=[NH+]n1cccn1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000863163527 637576213 /nfs/dbraw/zinc/57/62/13/637576213.db2.gz HKBCTIAXAZFUFG-ZDUSSCGKSA-N 1 1 292.383 2.897 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](CN2C[C@@H](c3ccccc3)OC2=O)C1 ZINC000863268757 637610345 /nfs/dbraw/zinc/61/03/45/637610345.db2.gz ISWLPEUWRRKTFK-WBVHZDCISA-N 1 1 298.386 2.873 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001016064942 651222809 /nfs/dbraw/zinc/22/28/09/651222809.db2.gz AIGMZHGDZOWNFE-AWEZNQCLSA-N 1 1 278.783 2.720 20 30 CFEDMO NC(=[NH+]OCC[C@@H]1CCCO1)C1CCCCCC1 ZINC000189326856 650375328 /nfs/dbraw/zinc/37/53/28/650375328.db2.gz WGABBQGOMQAOCJ-ZDUSSCGKSA-N 1 1 254.374 2.815 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001016373230 651231876 /nfs/dbraw/zinc/23/18/76/651231876.db2.gz QDLAWVIMKDWNEM-CKDBGZEDSA-N 1 1 278.440 2.969 20 30 CFEDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])C1 ZINC000865470488 638357751 /nfs/dbraw/zinc/35/77/51/638357751.db2.gz CCOVLERTLIDHHA-LLVKDONJSA-N 1 1 292.314 2.500 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001016373233 651232016 /nfs/dbraw/zinc/23/20/16/651232016.db2.gz QDLAWVIMKDWNEM-ISXOHVOVSA-N 1 1 278.440 2.969 20 30 CFEDMO C[C@H]1C[C@H](Nc2cc(C(F)(F)F)cc(C#N)n2)CC[N@H+]1C ZINC000865558522 638422074 /nfs/dbraw/zinc/42/20/74/638422074.db2.gz RYQCDDGTTZPNBR-GXSJLCMTSA-N 1 1 298.312 2.867 20 30 CFEDMO C[N@@H+]1CC=C(CNc2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865659855 638494730 /nfs/dbraw/zinc/49/47/30/638494730.db2.gz TWTVCHXUFJDZAF-UHFFFAOYSA-N 1 1 296.296 2.646 20 30 CFEDMO CN(CC[N@@H+](C)C1CC1)c1cc(C(F)(F)F)cc(C#N)n1 ZINC000865683406 638509303 /nfs/dbraw/zinc/50/93/03/638509303.db2.gz YFVPMHMUYJCNMU-UHFFFAOYSA-N 1 1 298.312 2.502 20 30 CFEDMO CC(=O)c1ccc(C#N)c(N2CC[N@H+](C)C(C)(C)CC2)c1 ZINC000866113319 638743746 /nfs/dbraw/zinc/74/37/46/638743746.db2.gz ZVXJBWKCDNFZTN-UHFFFAOYSA-N 1 1 285.391 2.681 20 30 CFEDMO C[N@H+]1CCN(c2ccc(Cl)c(C#N)n2)CCC1(C)C ZINC000866114649 638743787 /nfs/dbraw/zinc/74/37/87/638743787.db2.gz NUNXCPOFOLJBAP-UHFFFAOYSA-N 1 1 278.787 2.527 20 30 CFEDMO C[C@@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cccc(C#N)c1O ZINC000866242677 638778559 /nfs/dbraw/zinc/77/85/59/638778559.db2.gz CZVBHVBRGHMXMJ-ZTFRIQLXSA-N 1 1 294.354 2.573 20 30 CFEDMO CC(C)(C)c1csc(CO[NH+]=C(N)C2CCOCC2)n1 ZINC000120971102 638779937 /nfs/dbraw/zinc/77/99/37/638779937.db2.gz DCZFCKIUXIBICF-UHFFFAOYSA-N 1 1 297.424 2.656 20 30 CFEDMO CCn1nc(C)c(C[NH2+][C@@H](C)c2cccc(C#N)c2O)c1C ZINC000866257020 638781658 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Cc1csc([C@@H]2CC[N@@H+](CC3(CC#N)CC3)C2)n1 ZINC000880012909 644502630 /nfs/dbraw/zinc/50/26/30/644502630.db2.gz ZOULXHWYLDEPCC-GFCCVEGCSA-N 1 1 261.394 2.935 20 30 CFEDMO Cc1csc([C@H]2CC[N@H+](Cc3ccncc3C#N)C2)n1 ZINC000880012856 644502862 /nfs/dbraw/zinc/50/28/62/644502862.db2.gz YPCNUNDGRMYPGE-ZDUSSCGKSA-N 1 1 284.388 2.708 20 30 CFEDMO Cc1csc([C@H]2CC[N@@H+](Cc3ccncc3C#N)C2)n1 ZINC000880012856 644502863 /nfs/dbraw/zinc/50/28/63/644502863.db2.gz YPCNUNDGRMYPGE-ZDUSSCGKSA-N 1 1 284.388 2.708 20 30 CFEDMO COC(=O)CC[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000880040513 644510312 /nfs/dbraw/zinc/51/03/12/644510312.db2.gz ITSBWUABJXXNQU-CYBMUJFWSA-N 1 1 266.385 2.591 20 30 CFEDMO C=C(CC)C[N@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880061818 644518898 /nfs/dbraw/zinc/51/88/98/644518898.db2.gz BGSOCQCBRLSABN-GHMZBOCLSA-N 1 1 251.292 2.994 20 30 CFEDMO C[C@H]1C[N@@H+](CC2(CC#N)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000880064652 644520263 /nfs/dbraw/zinc/52/02/63/644520263.db2.gz ONCLGMGJCGACIY-QWRGUYRKSA-N 1 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/nfs/dbraw/zinc/59/54/13/644595413.db2.gz OGMNMHRCSAIDGM-OCCSQVGLSA-N 1 1 289.354 2.567 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](CF)C2)c([N+](=O)[O-])c1 ZINC000880238859 644602435 /nfs/dbraw/zinc/60/24/35/644602435.db2.gz XYRFUILJYNDVHR-GFCCVEGCSA-N 1 1 277.299 2.648 20 30 CFEDMO FC[C@H]1CC[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000880296393 644636678 /nfs/dbraw/zinc/63/66/78/644636678.db2.gz BSIRYCYGKGNWNQ-GFCCVEGCSA-N 1 1 251.732 2.983 20 30 CFEDMO FC[C@H]1CC[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000880296393 644636686 /nfs/dbraw/zinc/63/66/86/644636686.db2.gz BSIRYCYGKGNWNQ-GFCCVEGCSA-N 1 1 251.732 2.983 20 30 CFEDMO CC[N@@H+](CCNC(=O)Nc1cc(F)cc(C#N)c1)C(C)C ZINC000880333633 644658020 /nfs/dbraw/zinc/65/80/20/644658020.db2.gz FVYMRPFAUPIJNZ-UHFFFAOYSA-N 1 1 292.358 2.549 20 30 CFEDMO C[C@@]1(c2ccccc2)CCC[N@H+]1CCOCCC#N ZINC000880372412 644675642 /nfs/dbraw/zinc/67/56/42/644675642.db2.gz XMRWCHSIARWYNM-INIZCTEOSA-N 1 1 258.365 2.928 20 30 CFEDMO C=C(Cl)CN1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000880412153 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CO[C@@H]1C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CC[C@@H]1C ZINC000249232963 650957362 /nfs/dbraw/zinc/95/73/62/650957362.db2.gz VTUORFUNNINCLG-JJRVBVJISA-N 1 1 288.391 2.834 20 30 CFEDMO C=C(Br)C[NH2+][C@H](C)c1cnccc1C ZINC000129197837 645116600 /nfs/dbraw/zinc/11/66/00/645116600.db2.gz UEQFTZWZEOSWRD-SNVBAGLBSA-N 1 1 255.159 2.949 20 30 CFEDMO COCc1cc(C#N)ccc1NCCNc1cccc(C)[nH+]1 ZINC000881981575 645167127 /nfs/dbraw/zinc/16/71/27/645167127.db2.gz ZXQFMNSOUHZZKU-UHFFFAOYSA-N 1 1 296.374 2.932 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2sccc2C)C1 ZINC001006601090 651126329 /nfs/dbraw/zinc/12/63/29/651126329.db2.gz HGCYRZZEIFERTM-ZDUSSCGKSA-N 1 1 278.421 2.827 20 30 CFEDMO CCN(CC)CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000303699309 650999209 /nfs/dbraw/zinc/99/92/09/650999209.db2.gz GWGDGZMDIZSPJP-UHFFFAOYSA-N 1 1 276.428 2.878 20 30 CFEDMO C=CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC)c1ccccc1 ZINC000882492412 645343598 /nfs/dbraw/zinc/34/35/98/645343598.db2.gz RNLBHQKUUTZCGS-IRXDYDNUSA-N 1 1 286.419 2.947 20 30 CFEDMO C=CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC)c1ccccc1 ZINC000882493020 645343683 /nfs/dbraw/zinc/34/36/83/645343683.db2.gz WUFGJARTVHDFKT-JKSUJKDBSA-N 1 1 272.392 2.557 20 30 CFEDMO CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C2CC2)N(C)C)c1 ZINC000303889096 651006603 /nfs/dbraw/zinc/00/66/03/651006603.db2.gz PGNPHPOYJBETTJ-INIZCTEOSA-N 1 1 288.439 2.877 20 30 CFEDMO Cc1cc(C)cc(NC(=[NH2+])NCCN2CCC[C@H](C)C2)c1 ZINC000303895312 651007152 /nfs/dbraw/zinc/00/71/52/651007152.db2.gz PHYAENHXFAPKEC-ZDUSSCGKSA-N 1 1 288.439 2.762 20 30 CFEDMO CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H](C)N(C)C1CC1 ZINC000303971980 651010689 /nfs/dbraw/zinc/01/06/89/651010689.db2.gz FGTNCIGYCOACTG-ZIAGYGMSSA-N 1 1 282.476 2.588 20 30 CFEDMO CCN(CCNC(=[NH2+])Nc1ccc2c(c1)CCC2)C(C)C ZINC000303990097 651011363 /nfs/dbraw/zinc/01/13/63/651011363.db2.gz YFMLFTGXFIHSKM-UHFFFAOYSA-N 1 1 288.439 2.632 20 30 CFEDMO CC[N@H+]1CC[C@H]1CNc1ccc2cc(C#N)ccc2n1 ZINC000882960439 645530290 /nfs/dbraw/zinc/53/02/90/645530290.db2.gz JXIZDYHEQLTDEL-AWEZNQCLSA-N 1 1 266.348 2.613 20 30 CFEDMO CC[N@@H+](C[C@H](O)c1ccc(F)cc1C)C[C@H](C)C#N ZINC000304525961 651026940 /nfs/dbraw/zinc/02/69/40/651026940.db2.gz LNUCNYOIKVUSJP-ABAIWWIYSA-N 1 1 264.344 2.649 20 30 CFEDMO CC[N@H+](C[C@H](O)c1ccc(F)cc1C)C[C@H](C)C#N ZINC000304525961 651026943 /nfs/dbraw/zinc/02/69/43/651026943.db2.gz LNUCNYOIKVUSJP-ABAIWWIYSA-N 1 1 264.344 2.649 20 30 CFEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1O ZINC000252930116 651029615 /nfs/dbraw/zinc/02/96/15/651029615.db2.gz SYDCTDXZIJWZTN-IAGOWNOFSA-N 1 1 288.391 2.562 20 30 CFEDMO C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCO1 ZINC000883171682 645638485 /nfs/dbraw/zinc/63/84/85/645638485.db2.gz FSSYLKIZUVJGHJ-PVAVHDDUSA-N 1 1 278.440 2.574 20 30 CFEDMO C=CCC[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)[C@@H]1CCCO1 ZINC000883171682 645638489 /nfs/dbraw/zinc/63/84/89/645638489.db2.gz FSSYLKIZUVJGHJ-PVAVHDDUSA-N 1 1 278.440 2.574 20 30 CFEDMO Cc1cccc(NCc2cnc3ccc(C#N)cn23)[nH+]1 ZINC000131209786 645661427 /nfs/dbraw/zinc/66/14/27/645661427.db2.gz TXZRBOWJPNTYDJ-UHFFFAOYSA-N 1 1 263.304 2.522 20 30 CFEDMO C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)[C@@H]1CCCO1 ZINC000883226988 645676919 /nfs/dbraw/zinc/67/69/19/645676919.db2.gz JGBZQRXWZVDPPH-VEDBGLOESA-N 1 1 278.440 2.715 20 30 CFEDMO COc1ccc(CO[NH+]=C(N)CCc2ccccc2)cn1 ZINC000131310200 645695465 /nfs/dbraw/zinc/69/54/65/645695465.db2.gz ZXGFFIJARIVXOY-UHFFFAOYSA-N 1 1 285.347 2.512 20 30 CFEDMO CC(C)(C)[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000131354424 645706574 /nfs/dbraw/zinc/70/65/74/645706574.db2.gz OKYNNSNPYRGPCY-HOTGVXAUSA-N 1 1 272.392 2.960 20 30 CFEDMO C=C(Br)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253086756 651036495 /nfs/dbraw/zinc/03/64/95/651036495.db2.gz CFWHVHDWVILTBG-YNEHKIRRSA-N 1 1 288.229 2.911 20 30 CFEDMO C=CCCCCC[N@@H+](C)CN1C(=O)N[C@@H](CC(C)C)C1=O ZINC000131399418 645720575 /nfs/dbraw/zinc/72/05/75/645720575.db2.gz YRDCZTDZSDPISU-AWEZNQCLSA-N 1 1 295.427 2.589 20 30 CFEDMO C=CCCCCC[N@H+](C)CN1C(=O)N[C@@H](CC(C)C)C1=O ZINC000131399418 645720580 /nfs/dbraw/zinc/72/05/80/645720580.db2.gz YRDCZTDZSDPISU-AWEZNQCLSA-N 1 1 295.427 2.589 20 30 CFEDMO CCCCCCC[C@@H](C)CNC(=O)c1ncoc1C[NH3+] ZINC000884099684 646213474 /nfs/dbraw/zinc/21/34/74/646213474.db2.gz WWRKUBFJOPLRNH-GFCCVEGCSA-N 1 1 281.400 2.860 20 30 CFEDMO C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCS1 ZINC000134342551 646331617 /nfs/dbraw/zinc/33/16/17/646331617.db2.gz INGMHKKPZKVSBG-CYBMUJFWSA-N 1 1 276.405 2.764 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H](Nc2ncnc3scc(C)c32)C1 ZINC000884611512 646486589 /nfs/dbraw/zinc/48/65/89/646486589.db2.gz NUFBUVZMTOWBGA-LBPRGKRZSA-N 1 1 286.404 2.509 20 30 CFEDMO C=CCn1ncc2ccc(NC(=O)C[N@H+](C)CCC)cc21 ZINC000885573574 646709601 /nfs/dbraw/zinc/70/96/01/646709601.db2.gz KCMLCQFYHNSYSV-UHFFFAOYSA-N 1 1 286.379 2.503 20 30 CFEDMO CCCCCCCC(=O)NC[C@H]1CC[N@H+]1C1CCOCC1 ZINC000885861355 646761180 /nfs/dbraw/zinc/76/11/80/646761180.db2.gz SBCYSBJSIACQPJ-MRXNPFEDSA-N 1 1 296.455 2.716 20 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ZINC001269786856 777250570 /nfs/dbraw/zinc/25/05/70/777250570.db2.gz CMFOOUXFYCGBAW-MRXNPFEDSA-N 1 1 298.430 2.858 20 30 CFEDMO C=CC[N@H+](C)Cc1ccc(OCCCOC)c(OC)c1 ZINC001231544095 777257369 /nfs/dbraw/zinc/25/73/69/777257369.db2.gz NEUQJJHLRIAEOT-UHFFFAOYSA-N 1 1 279.380 2.728 20 30 CFEDMO N#CCCOCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000339060602 777258477 /nfs/dbraw/zinc/25/84/77/777258477.db2.gz MYPGKDRZHPOFTH-UHFFFAOYSA-N 1 1 281.359 2.578 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2C#Cc2ccccc2)C[C@@H]1O ZINC001231576569 777264613 /nfs/dbraw/zinc/26/46/13/777264613.db2.gz CILWPYNMXSOVTH-JXFKEZNVSA-N 1 1 291.394 2.899 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)c2c(C)cccc2C)C1 ZINC001028820736 777266580 /nfs/dbraw/zinc/26/65/80/777266580.db2.gz JMFRBRVSNWTBIP-INIZCTEOSA-N 1 1 286.419 2.931 20 30 CFEDMO CC[N@@H+](Cc1ccc(C#N)cc1OC)C1CCOCC1 ZINC001231618210 777279705 /nfs/dbraw/zinc/27/97/05/777279705.db2.gz BIJUHSFDHSGWRB-UHFFFAOYSA-N 1 1 274.364 2.568 20 30 CFEDMO COc1cc(C#N)ccc1C[N@@H+]1CCc2ccncc2C1 ZINC001231620357 777279743 /nfs/dbraw/zinc/27/97/43/777279743.db2.gz WYTYVKBVMIODRE-UHFFFAOYSA-N 1 1 279.343 2.520 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2ccncc2C1 ZINC001231620357 777279747 /nfs/dbraw/zinc/27/97/47/777279747.db2.gz WYTYVKBVMIODRE-UHFFFAOYSA-N 1 1 279.343 2.520 20 30 CFEDMO C=CCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001231621647 777281623 /nfs/dbraw/zinc/28/16/23/777281623.db2.gz GLBNOOFXUFKWJN-GASCZTMLSA-N 1 1 271.360 2.947 20 30 CFEDMO C=CCOc1cccc(C[N@H+]2CCCC3(COC3)C2)c1 ZINC001231621452 777281768 /nfs/dbraw/zinc/28/17/68/777281768.db2.gz BAJBFODZOHGCTE-UHFFFAOYSA-N 1 1 273.376 2.864 20 30 CFEDMO COc1cc(C#N)ccc1CN1CCC([N@@H+](C)C2CC2)CC1 ZINC001231621181 777281782 /nfs/dbraw/zinc/28/17/82/777281782.db2.gz UXALWNBCKNFQLX-UHFFFAOYSA-N 1 1 299.418 2.625 20 30 CFEDMO C=CCOc1cccc(C[N@@H+]2CCCC[C@@](C)(O)C2)c1 ZINC001231620790 777281815 /nfs/dbraw/zinc/28/18/15/777281815.db2.gz BTWOYVGZMLLPKX-QGZVFWFLSA-N 1 1 275.392 2.988 20 30 CFEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c1 ZINC001231621078 777282562 /nfs/dbraw/zinc/28/25/62/777282562.db2.gz OEFMOEXERMLBHK-CVEARBPZSA-N 1 1 279.355 2.546 20 30 CFEDMO C=CCOc1cccc(CN2CC[C@@H]([N@@H+](C)C3CC3)C2)c1 ZINC001231624851 777283215 /nfs/dbraw/zinc/28/32/15/777283215.db2.gz YOHBIUBFNMMXFQ-QGZVFWFLSA-N 1 1 286.419 2.920 20 30 CFEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](O)C[C@H]2C)c1 ZINC001231625592 777283407 /nfs/dbraw/zinc/28/34/07/777283407.db2.gz WODODZLPZXPTCY-HIFRSBDPSA-N 1 1 261.365 2.597 20 30 CFEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](CC(=O)OC)C2)c1 ZINC001231624583 777284441 /nfs/dbraw/zinc/28/44/41/777284441.db2.gz QPYVWZJBCYEEON-OAHLLOKOSA-N 1 1 289.375 2.636 20 30 CFEDMO C#Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H]2Cc2ccccc2)c1 ZINC001231656699 777296918 /nfs/dbraw/zinc/29/69/18/777296918.db2.gz DRWICTHPUGGTPE-VQTJNVASSA-N 1 1 291.394 2.846 20 30 CFEDMO C#Cc1cccc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c1 ZINC001231660808 777298142 /nfs/dbraw/zinc/29/81/42/777298142.db2.gz JNKNFTCUVQURLE-KRWDZBQOSA-N 1 1 278.355 2.716 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](CNC(=O)c2cccc(C)c2Cl)C1 ZINC001028878028 777303123 /nfs/dbraw/zinc/30/31/23/777303123.db2.gz GWKIUVHJCXDVSF-CYBMUJFWSA-N 1 1 292.810 2.886 20 30 CFEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccoc3Cl)[C@@H]2C1 ZINC001075736431 777327118 /nfs/dbraw/zinc/32/71/18/777327118.db2.gz OMBPAFGSCNLRSM-WCQYABFASA-N 1 1 294.782 2.655 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccoc2CCC)C1 ZINC001028928495 777327084 /nfs/dbraw/zinc/32/70/84/777327084.db2.gz JUMRGWSRDDRULY-CQSZACIVSA-N 1 1 290.407 2.860 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cccnc2OC(C)C)C1 ZINC001231760079 777327112 /nfs/dbraw/zinc/32/71/12/777327112.db2.gz CJTSTNYFOATVSJ-AWEZNQCLSA-N 1 1 258.365 2.714 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2cccc(Cl)c2)C1 ZINC001028948560 777337125 /nfs/dbraw/zinc/33/71/25/777337125.db2.gz PAOVRWGXQNZNSM-ZDUSSCGKSA-N 1 1 292.810 2.968 20 30 CFEDMO CN(CCC#N)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1 ZINC001231820663 777342806 /nfs/dbraw/zinc/34/28/06/777342806.db2.gz JIQPEVGANZKHIT-XIRDDKMYSA-N 1 1 287.382 2.969 20 30 CFEDMO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC001231820888 777343105 /nfs/dbraw/zinc/34/31/05/777343105.db2.gz ZVQVJVWSZAQCGI-KRWDZBQOSA-N 1 1 299.418 2.837 20 30 CFEDMO CCC[N@@H+](CCOC)Cc1ccc(N(C)CCC#N)cc1 ZINC001231818137 777343840 /nfs/dbraw/zinc/34/38/40/777343840.db2.gz ITNIZARNFOJYNI-UHFFFAOYSA-N 1 1 289.423 2.895 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc(C)c2C)C1 ZINC001028965912 777347647 /nfs/dbraw/zinc/34/76/47/777347647.db2.gz PJFFQHUCSUDAPQ-MRXNPFEDSA-N 1 1 286.419 2.931 20 30 CFEDMO C=CC[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)CCCC3)C1 ZINC001028969363 777349835 /nfs/dbraw/zinc/34/98/35/777349835.db2.gz DEOXTLBTRTUEJH-HNNXBMFYSA-N 1 1 298.430 2.803 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2c(C)cc(C)cc2C)C1 ZINC001028971309 777351071 /nfs/dbraw/zinc/35/10/71/777351071.db2.gz KGJWFIIGLARIFM-INIZCTEOSA-N 1 1 286.419 2.850 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2OC)C1 ZINC001231854812 777351970 /nfs/dbraw/zinc/35/19/70/777351970.db2.gz MCZJGJPXDSTLPP-CQSZACIVSA-N 1 1 272.392 2.606 20 30 CFEDMO CCCOc1ncccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001231862493 777355567 /nfs/dbraw/zinc/35/55/67/777355567.db2.gz CKTSQQLLAGTXMP-CQSZACIVSA-N 1 1 273.380 2.996 20 30 CFEDMO CCCOc1ncccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC001231862493 777355570 /nfs/dbraw/zinc/35/55/70/777355570.db2.gz CKTSQQLLAGTXMP-CQSZACIVSA-N 1 1 273.380 2.996 20 30 CFEDMO COc1cccc2c(C[N@@H+]3CC[C@](C)(C#N)C3)c[nH]c21 ZINC001231895757 777373458 /nfs/dbraw/zinc/37/34/58/777373458.db2.gz CLXGPUSLIQDLMM-MRXNPFEDSA-N 1 1 269.348 2.912 20 30 CFEDMO COc1cccc2c(C[N@H+]3CC[C@](C)(C#N)C3)c[nH]c21 ZINC001231895757 777373461 /nfs/dbraw/zinc/37/34/61/777373461.db2.gz CLXGPUSLIQDLMM-MRXNPFEDSA-N 1 1 269.348 2.912 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2c(C)cccc2F)C1 ZINC001029019275 777387387 /nfs/dbraw/zinc/38/73/87/777387387.db2.gz NUIKVUQCXIENJT-AWEZNQCLSA-N 1 1 290.382 2.762 20 30 CFEDMO C=CCCC(=O)N[C@@]1(C)CC[N@@H+](CCc2ccccc2)C1 ZINC001270557401 777408303 /nfs/dbraw/zinc/40/83/03/777408303.db2.gz KQLCHMGXINQEGX-SFHVURJKSA-N 1 1 286.419 2.776 20 30 CFEDMO C#CCCCC(=O)N[C@@]1(C)CC[N@H+](CCCCCC)C1 ZINC001270575914 777412364 /nfs/dbraw/zinc/41/23/64/777412364.db2.gz HGWKEXIWSFCUSL-KRWDZBQOSA-N 1 1 278.440 2.951 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](OCC)C(=C)C)C1 ZINC001270591203 777417199 /nfs/dbraw/zinc/41/71/99/777417199.db2.gz XIDRRYAWDHNLLA-NVXWUHKLSA-N 1 1 294.439 2.514 20 30 CFEDMO C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)c2ccsn2)C1 ZINC001270599820 777419876 /nfs/dbraw/zinc/41/98/76/777419876.db2.gz OCZNLNQJUOHWQG-DOMZBBRYSA-N 1 1 293.436 2.692 20 30 CFEDMO C=CC[N@H+](C)Cc1ncc(Br)cc1C ZINC001232049415 777424781 /nfs/dbraw/zinc/42/47/81/777424781.db2.gz ZDIOIJXKQGJOIX-UHFFFAOYSA-N 1 1 255.159 2.770 20 30 CFEDMO C#CC1CC[NH+](Cc2c(Cl)n(C)nc2C(F)F)CC1 ZINC001232055683 777426129 /nfs/dbraw/zinc/42/61/29/777426129.db2.gz FYMBNNXVKJEKLA-UHFFFAOYSA-N 1 1 287.741 2.856 20 30 CFEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2ncccc2[nH]1 ZINC001232065254 777426889 /nfs/dbraw/zinc/42/68/89/777426889.db2.gz PPEXXOGEKGATDU-DEZZGGKRSA-N 1 1 266.348 2.829 20 30 CFEDMO C=CC[N@@H+]1CC[C@@](C)(NC(=O)CCCCCC)C1 ZINC001270649410 777441790 /nfs/dbraw/zinc/44/17/90/777441790.db2.gz NEMKODCLNDHVIQ-OAHLLOKOSA-N 1 1 252.402 2.723 20 30 CFEDMO CC(C)(C#N)C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000122306070 777444236 /nfs/dbraw/zinc/44/42/36/777444236.db2.gz FNFNNAJPWAOXHX-UHFFFAOYSA-N 1 1 253.349 2.750 20 30 CFEDMO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232115440 777445039 /nfs/dbraw/zinc/44/50/39/777445039.db2.gz OYKLMGSMJMOCKG-ZDUSSCGKSA-N 1 1 292.766 2.597 20 30 CFEDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(Cl)c2)C1 ZINC001232115440 777445047 /nfs/dbraw/zinc/44/50/47/777445047.db2.gz OYKLMGSMJMOCKG-ZDUSSCGKSA-N 1 1 292.766 2.597 20 30 CFEDMO C=CC[NH+]1CCN(Cc2ccc(C#N)c(Cl)c2)CC1 ZINC001232120280 777447135 /nfs/dbraw/zinc/44/71/35/777447135.db2.gz QOKGJLYJDRUJKV-UHFFFAOYSA-N 1 1 275.783 2.515 20 30 CFEDMO CC[N@H+](CCC#N)Cc1ccc(NC(C)=O)cc1C ZINC001232185229 777462633 /nfs/dbraw/zinc/46/26/33/777462633.db2.gz CNFIFCIGODAVMN-UHFFFAOYSA-N 1 1 259.353 2.689 20 30 CFEDMO CC[N@@H+](CCC#N)Cc1ccc(NC(C)=O)cc1C ZINC001232185229 777462636 /nfs/dbraw/zinc/46/26/36/777462636.db2.gz CNFIFCIGODAVMN-UHFFFAOYSA-N 1 1 259.353 2.689 20 30 CFEDMO CC#CC(=O)N1CC2(C1)CC[N@H+](C[C@H](CC)CCCC)C2 ZINC001270712595 777465021 /nfs/dbraw/zinc/46/50/21/777465021.db2.gz CDBJGDXZLMOCNH-MRXNPFEDSA-N 1 1 290.451 2.760 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)c2cccnc2)[C@H]1CC ZINC001087486976 777496718 /nfs/dbraw/zinc/49/67/18/777496718.db2.gz IEDOEEPCMZVGBH-JKSUJKDBSA-N 1 1 287.407 2.631 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2F)[C@H]1CC ZINC001087487759 777498443 /nfs/dbraw/zinc/49/84/43/777498443.db2.gz VJLSPGAQOANLSR-LSDHHAIUSA-N 1 1 276.355 2.594 20 30 CFEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)=C3CCC3)[C@@H]2C1 ZINC001075778365 777529738 /nfs/dbraw/zinc/52/97/38/777529738.db2.gz LASJABONHXUOBG-DLBZAZTESA-N 1 1 288.435 2.986 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)C)[C@H]1CC ZINC001087503429 777542591 /nfs/dbraw/zinc/54/25/91/777542591.db2.gz GQFWUHVSQJICFJ-UONOGXRCSA-N 1 1 252.402 2.578 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2O)[C@H]1CC ZINC001087506914 777564294 /nfs/dbraw/zinc/56/42/94/777564294.db2.gz UKWYFZNYTHZKHI-LSDHHAIUSA-N 1 1 288.391 2.551 20 30 CFEDMO C[C@]1(C#N)CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)C1 ZINC001168002750 777566696 /nfs/dbraw/zinc/56/66/96/777566696.db2.gz WVQGGLJDRNNLNY-FCLJQHQZSA-N 1 1 273.424 2.627 20 30 CFEDMO N#Cc1ccnc(C[N@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1 ZINC001232482480 777577492 /nfs/dbraw/zinc/57/74/92/777577492.db2.gz VUIGVZIGQODVHB-INIZCTEOSA-N 1 1 291.354 2.658 20 30 CFEDMO N#Cc1ccnc(C[N@@H+]2CC[C@H](C(=O)c3ccccc3)C2)c1 ZINC001232482480 777577496 /nfs/dbraw/zinc/57/74/96/777577496.db2.gz VUIGVZIGQODVHB-INIZCTEOSA-N 1 1 291.354 2.658 20 30 CFEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCOCCC#N)[C@@H]2C ZINC000339080771 777583626 /nfs/dbraw/zinc/58/36/26/777583626.db2.gz NGABIOCJVHPLHK-UONOGXRCSA-N 1 1 288.391 2.933 20 30 CFEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1N ZINC001232512335 777591122 /nfs/dbraw/zinc/59/11/22/777591122.db2.gz OVNTYQAAHGZSSZ-OJNYZHBWSA-N 1 1 259.328 2.674 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](Cc2cc3ccoc3cn2)C1 ZINC001232553568 777600506 /nfs/dbraw/zinc/60/05/06/777600506.db2.gz YHCOZOHLXMXPGP-GFCCVEGCSA-N 1 1 255.321 2.953 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc3ccoc3cn2)C1 ZINC001232553568 777600510 /nfs/dbraw/zinc/60/05/10/777600510.db2.gz YHCOZOHLXMXPGP-GFCCVEGCSA-N 1 1 255.321 2.953 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)C=C2CCC2)C1 ZINC001270949231 777612237 /nfs/dbraw/zinc/61/22/37/777612237.db2.gz AVBJBMCYMCLYKG-QGZVFWFLSA-N 1 1 276.424 2.891 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C/C=C(/C)C=C)C1 ZINC001270982307 777619850 /nfs/dbraw/zinc/61/98/50/777619850.db2.gz HQGWLUKQFLXYLX-KCPLEYNQSA-N 1 1 276.424 2.913 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(CCC)CC2)C1 ZINC001270990946 777622366 /nfs/dbraw/zinc/62/23/66/777622366.db2.gz HIYCZIMYVQSFMT-KRWDZBQOSA-N 1 1 290.451 2.808 20 30 CFEDMO C=CCC[N@H+]1CCC[C@@]2(CCN(C(=O)CC3CC3)C2)C1 ZINC001040038090 777624636 /nfs/dbraw/zinc/62/46/36/777624636.db2.gz NKHSDKWGTYWRBY-QGZVFWFLSA-N 1 1 276.424 2.677 20 30 CFEDMO CCC[N@H+](CCC#N)Cc1cncc2cnccc21 ZINC001232652203 777631651 /nfs/dbraw/zinc/63/16/51/777631651.db2.gz MZSIQHUXYVTWNJ-UHFFFAOYSA-N 1 1 254.337 2.755 20 30 CFEDMO CCC[N@@H+](CCC#N)Cc1cncc2cnccc21 ZINC001232652203 777631652 /nfs/dbraw/zinc/63/16/52/777631652.db2.gz MZSIQHUXYVTWNJ-UHFFFAOYSA-N 1 1 254.337 2.755 20 30 CFEDMO C=CC[NH+]1CCN(Cc2cccc3ncsc32)CC1 ZINC001232733732 777649150 /nfs/dbraw/zinc/64/91/50/777649150.db2.gz SQULGPKULSAQML-UHFFFAOYSA-N 1 1 273.405 2.600 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccoc2CC)[C@H]1CC ZINC001087558353 777653277 /nfs/dbraw/zinc/65/32/77/777653277.db2.gz CWWCFILLUNHJNV-UONOGXRCSA-N 1 1 276.380 2.611 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N1C[C@H]2C[N@@H+](CC3CC3)C[C@@]2(C)C1 ZINC001101337547 777654401 /nfs/dbraw/zinc/65/44/01/777654401.db2.gz CRNXYTHTLZSHFP-LESCRADOSA-N 1 1 290.451 2.779 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2CC)[C@H]1CC ZINC001087561648 777655516 /nfs/dbraw/zinc/65/55/16/777655516.db2.gz HTLZMKDSVNNPBZ-JKSUJKDBSA-N 1 1 289.423 2.736 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CC(C)(C)C2)[C@H]1CC ZINC001087561431 777656205 /nfs/dbraw/zinc/65/62/05/777656205.db2.gz UYQSQGIUUDCEPV-UONOGXRCSA-N 1 1 264.413 2.578 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)[C@H]1CC ZINC001087569060 777659701 /nfs/dbraw/zinc/65/97/01/777659701.db2.gz AGEQKIREZVCFDB-HRCADAONSA-N 1 1 288.435 2.559 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2conc2C(C)C)[C@H]1CC ZINC001087599782 777665222 /nfs/dbraw/zinc/66/52/22/777665222.db2.gz WOXMUDLDBOHGSJ-UONOGXRCSA-N 1 1 291.395 2.567 20 30 CFEDMO 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CC[N@H+]1CC[C@H](NCc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000592391581 349114372 /nfs/dbraw/zinc/11/43/72/349114372.db2.gz CJSDTQLDTISKLN-PBHICJAKSA-N 1 1 271.408 2.573 20 30 CFEDMO CCN1CC[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000592391581 349114376 /nfs/dbraw/zinc/11/43/76/349114376.db2.gz CJSDTQLDTISKLN-PBHICJAKSA-N 1 1 271.408 2.573 20 30 CFEDMO C[N@H+]1CCC[C@@H]1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000593013202 349186985 /nfs/dbraw/zinc/18/69/85/349186985.db2.gz IPGVUVIPRQCIJV-FGTMMUONSA-N 1 1 283.419 2.852 20 30 CFEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000593015290 349187459 /nfs/dbraw/zinc/18/74/59/349187459.db2.gz QLCZALSOIDNYHN-BETUJISGSA-N 1 1 271.320 2.698 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000593024972 349189912 /nfs/dbraw/zinc/18/99/12/349189912.db2.gz MHAUZIFILIOXPG-JSGCOSHPSA-N 1 1 271.320 2.841 20 30 CFEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1cccc(C#N)c1 ZINC000592749609 349164481 /nfs/dbraw/zinc/16/44/81/349164481.db2.gz LGRYZTCFTXQMID-CYBMUJFWSA-N 1 1 296.374 2.585 20 30 CFEDMO CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000592755740 349165072 /nfs/dbraw/zinc/16/50/72/349165072.db2.gz ZWPWBEVIBWJMSY-RHSMWYFYSA-N 1 1 299.418 2.635 20 30 CFEDMO C[C@H](CCO)[N@H+](C)Cc1ccc(C#N)cc1Br ZINC000593107216 349210028 /nfs/dbraw/zinc/21/00/28/349210028.db2.gz AWWPXUJIYHTDHV-SNVBAGLBSA-N 1 1 297.196 2.523 20 30 CFEDMO C[C@H](CCO)[N@@H+](C)Cc1ccc(C#N)cc1Br ZINC000593107216 349210032 /nfs/dbraw/zinc/21/00/32/349210032.db2.gz AWWPXUJIYHTDHV-SNVBAGLBSA-N 1 1 297.196 2.523 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593119406 349215527 /nfs/dbraw/zinc/21/55/27/349215527.db2.gz XYSAHBICQKGBLX-AWEZNQCLSA-N 1 1 278.302 2.798 20 30 CFEDMO N#Cc1cccc2c1C[N@H+](CCCCCn1cccn1)C2 ZINC000593122411 349216526 /nfs/dbraw/zinc/21/65/26/349216526.db2.gz RQTDQFCTXZVAMU-UHFFFAOYSA-N 1 1 280.375 2.941 20 30 CFEDMO N#Cc1cccc2c1C[N@@H+](CCCCCn1cccn1)C2 ZINC000593122411 349216529 /nfs/dbraw/zinc/21/65/29/349216529.db2.gz RQTDQFCTXZVAMU-UHFFFAOYSA-N 1 1 280.375 2.941 20 30 CFEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)[C@H]1CCCOC1 ZINC000593071860 349201360 /nfs/dbraw/zinc/20/13/60/349201360.db2.gz UYBIWQMYMFFLEP-HNNXBMFYSA-N 1 1 280.412 2.588 20 30 CFEDMO CN1CC[N@@H+](CCCCC#N)[C@@H](Cc2ccccc2)C1 ZINC000593088556 349205483 /nfs/dbraw/zinc/20/54/83/349205483.db2.gz GYUWOWVWPDTYJD-KRWDZBQOSA-N 1 1 271.408 2.539 20 30 CFEDMO C[N@@H+]1CCN(CCCCC#N)[C@@H](Cc2ccccc2)C1 ZINC000593088556 349205487 /nfs/dbraw/zinc/20/54/87/349205487.db2.gz GYUWOWVWPDTYJD-KRWDZBQOSA-N 1 1 271.408 2.539 20 30 CFEDMO C[N@H+]1CCN(CCCCC#N)[C@@H](Cc2ccccc2)C1 ZINC000593088556 349205490 /nfs/dbraw/zinc/20/54/90/349205490.db2.gz GYUWOWVWPDTYJD-KRWDZBQOSA-N 1 1 271.408 2.539 20 30 CFEDMO COC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)C[C@H]1c1ccccc1 ZINC000593090319 349205567 /nfs/dbraw/zinc/20/55/67/349205567.db2.gz QPIYODJKYQBTMU-QSPRXWTASA-N 1 1 298.386 2.567 20 30 CFEDMO N#CCCCC[C@@H]([NH3+])c1nc(Cc2cccs2)no1 ZINC000593944598 349337909 /nfs/dbraw/zinc/33/79/09/349337909.db2.gz XQPWDBXESOLMSL-LLVKDONJSA-N 1 1 276.365 2.806 20 30 CFEDMO C[C@@H](C#N)C[N@H+](C)CCCc1c(F)cccc1F ZINC000593950499 349338731 /nfs/dbraw/zinc/33/87/31/349338731.db2.gz CLFWPASWTLONNN-NSHDSACASA-N 1 1 252.308 2.989 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](C)CCCc1c(F)cccc1F ZINC000593950499 349338735 /nfs/dbraw/zinc/33/87/35/349338735.db2.gz CLFWPASWTLONNN-NSHDSACASA-N 1 1 252.308 2.989 20 30 CFEDMO CC(C)[C@H](C#N)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000593999726 349350070 /nfs/dbraw/zinc/35/00/70/349350070.db2.gz GVFXJNXVLJCLCV-UONOGXRCSA-N 1 1 293.798 2.607 20 30 CFEDMO CC(C)c1ccc([C@H](C)[NH+]2CCN(C(=O)CC#N)CC2)cc1 ZINC000594000983 349350774 /nfs/dbraw/zinc/35/07/74/349350774.db2.gz AOXGGXAQINFEJU-HNNXBMFYSA-N 1 1 299.418 2.929 20 30 CFEDMO Cc1ccnc([C@H]2CC[N@H+](Cc3ccncc3C#N)C2)c1 ZINC000594004984 349351555 /nfs/dbraw/zinc/35/15/55/349351555.db2.gz ROXFFIATZXWPDI-HNNXBMFYSA-N 1 1 278.359 2.646 20 30 CFEDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccncc3C#N)C2)c1 ZINC000594004984 349351557 /nfs/dbraw/zinc/35/15/57/349351557.db2.gz ROXFFIATZXWPDI-HNNXBMFYSA-N 1 1 278.359 2.646 20 30 CFEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCCC[C@H]1CO ZINC000594016960 349354415 /nfs/dbraw/zinc/35/44/15/349354415.db2.gz NYXWTMGFYNNBAT-HNNXBMFYSA-N 1 1 278.783 2.949 20 30 CFEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCCC[C@H]1CO ZINC000594016960 349354419 /nfs/dbraw/zinc/35/44/19/349354419.db2.gz NYXWTMGFYNNBAT-HNNXBMFYSA-N 1 1 278.783 2.949 20 30 CFEDMO CN(C)c1ccccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593652711 349303966 /nfs/dbraw/zinc/30/39/66/349303966.db2.gz HISRUOLLTLBBCE-UHFFFAOYSA-N 1 1 257.381 2.926 20 30 CFEDMO COCCOc1cccc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593649439 349304052 /nfs/dbraw/zinc/30/40/52/349304052.db2.gz DNKSEJHVJUKXDC-UHFFFAOYSA-N 1 1 288.391 2.885 20 30 CFEDMO Cc1nn2c(C[NH2+]CC3(C#N)CCCC3)c(C)nc2s1 ZINC000593652969 349304999 /nfs/dbraw/zinc/30/49/99/349304999.db2.gz UFBSVMJPRCTVCU-UHFFFAOYSA-N 1 1 289.408 2.581 20 30 CFEDMO COc1cc(C[N@@H+]2C[C@H](C)OCC23CCC3)ccc1C#N ZINC000593678168 349308228 /nfs/dbraw/zinc/30/82/28/349308228.db2.gz ATYJBGLNLYDJMM-ZDUSSCGKSA-N 1 1 286.375 2.710 20 30 CFEDMO COc1cc(C[N@H+]2C[C@H](C)OCC23CCC3)ccc1C#N ZINC000593678168 349308231 /nfs/dbraw/zinc/30/82/31/349308231.db2.gz ATYJBGLNLYDJMM-ZDUSSCGKSA-N 1 1 286.375 2.710 20 30 CFEDMO CC[C@H](C#N)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000593678297 349308658 /nfs/dbraw/zinc/30/86/58/349308658.db2.gz CIWKYLYNJHSYIH-SNVBAGLBSA-N 1 1 279.771 2.890 20 30 CFEDMO C[C@@H](CCO)[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000593693587 349310253 /nfs/dbraw/zinc/31/02/53/349310253.db2.gz ABRLLGBZMIIKMI-AWEZNQCLSA-N 1 1 276.380 2.572 20 30 CFEDMO Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594195998 349392852 /nfs/dbraw/zinc/39/28/52/349392852.db2.gz JXAAOZMKPNQSHE-SJORKVTESA-N 1 1 297.402 2.613 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCCCC#N ZINC000594233789 349397805 /nfs/dbraw/zinc/39/78/05/349397805.db2.gz 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ZINC000602005569 350828002 /nfs/dbraw/zinc/82/80/02/350828002.db2.gz YDVFXZCMIBVQLH-LBPRGKRZSA-N 1 1 263.360 2.517 20 30 CFEDMO COC(=O)[C@@H]1c2ccccc2CC[N@H+]1C[C@H](C)CCC#N ZINC000602479504 350900244 /nfs/dbraw/zinc/90/02/44/350900244.db2.gz MSCCAOHJQOBDNG-CJNGLKHVSA-N 1 1 286.375 2.699 20 30 CFEDMO COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](C)CCC#N ZINC000602479504 350900248 /nfs/dbraw/zinc/90/02/48/350900248.db2.gz MSCCAOHJQOBDNG-CJNGLKHVSA-N 1 1 286.375 2.699 20 30 CFEDMO C[C@@H](CCC#N)C[NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000602595919 350939680 /nfs/dbraw/zinc/93/96/80/350939680.db2.gz ZFSBCOXTFCQPPM-NSHDSACASA-N 1 1 287.342 2.640 20 30 CFEDMO CCOc1ccc(C[NH2+]Cc2cccc(C#N)n2)cc1OC ZINC000602509484 350909489 /nfs/dbraw/zinc/90/94/89/350909489.db2.gz HIMMQDAPKNBXFY-UHFFFAOYSA-N 1 1 297.358 2.650 20 30 CFEDMO N#Cc1cccc(C[NH2+][C@H]2CCCc3occc32)n1 ZINC000602508260 350909712 /nfs/dbraw/zinc/90/97/12/350909712.db2.gz ADPBSMCXBWXJHT-AWEZNQCLSA-N 1 1 253.305 2.713 20 30 CFEDMO CC(C)CN1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602511310 350910332 /nfs/dbraw/zinc/91/03/32/350910332.db2.gz OGVBLKCOJNXZQP-UHFFFAOYSA-N 1 1 263.429 2.779 20 30 CFEDMO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602516624 350911844 /nfs/dbraw/zinc/91/18/44/350911844.db2.gz OMZZHXYSGIPWAJ-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO C[C@H](CNCc1cccc(C#N)n1)[N@H+](C)Cc1ccccc1 ZINC000602550526 350921211 /nfs/dbraw/zinc/92/12/11/350921211.db2.gz KDRVUMKGWJTVPN-OAHLLOKOSA-N 1 1 294.402 2.563 20 30 CFEDMO C[C@H](CNCc1cccc(C#N)n1)[N@@H+](C)Cc1ccccc1 ZINC000602550526 350921216 /nfs/dbraw/zinc/92/12/16/350921216.db2.gz KDRVUMKGWJTVPN-OAHLLOKOSA-N 1 1 294.402 2.563 20 30 CFEDMO CCOC(=O)c1ccc(C[N@H+](C)Cc2ccc(C#N)cc2)[nH]1 ZINC000602438960 350882699 /nfs/dbraw/zinc/88/26/99/350882699.db2.gz KQDUXLGVBMZSIB-UHFFFAOYSA-N 1 1 297.358 2.695 20 30 CFEDMO CCOC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)[nH]1 ZINC000602438960 350882702 /nfs/dbraw/zinc/88/27/02/350882702.db2.gz KQDUXLGVBMZSIB-UHFFFAOYSA-N 1 1 297.358 2.695 20 30 CFEDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1cccc(C#N)n1 ZINC000602439148 350882759 /nfs/dbraw/zinc/88/27/59/350882759.db2.gz IAIUMAMWOUWTIR-UHFFFAOYSA-N 1 1 281.359 2.984 20 30 CFEDMO COc1cncc(C[N@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000602439647 350883906 /nfs/dbraw/zinc/88/39/06/350883906.db2.gz OZXDVFQLQMWFGN-UHFFFAOYSA-N 1 1 281.359 2.902 20 30 CFEDMO COc1cncc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1C ZINC000602439647 350883911 /nfs/dbraw/zinc/88/39/11/350883911.db2.gz OZXDVFQLQMWFGN-UHFFFAOYSA-N 1 1 281.359 2.902 20 30 CFEDMO Cc1nc([C@H]2CCCC[N@H+]2C[C@H](C)CCC#N)no1 ZINC000602446905 350886142 /nfs/dbraw/zinc/88/61/42/350886142.db2.gz CERWTETYXSBWQV-DGCLKSJQSA-N 1 1 262.357 2.845 20 30 CFEDMO Cc1nc([C@H]2CCCC[N@@H+]2C[C@H](C)CCC#N)no1 ZINC000602446905 350886143 /nfs/dbraw/zinc/88/61/43/350886143.db2.gz CERWTETYXSBWQV-DGCLKSJQSA-N 1 1 262.357 2.845 20 30 CFEDMO COC(=O)c1ccc(C[N@@H+](C)C[C@@H](C)CCC#N)cc1 ZINC000602445024 350886222 /nfs/dbraw/zinc/88/62/22/350886222.db2.gz LXZWQQCWTHGGOS-ZDUSSCGKSA-N 1 1 274.364 2.845 20 30 CFEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(C#N)n2)n1 ZINC000602470911 350895242 /nfs/dbraw/zinc/89/52/42/350895242.db2.gz LBLQYLZWNIPOIN-KRWDZBQOSA-N 1 1 278.359 2.994 20 30 CFEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(C#N)n2)n1 ZINC000602470911 350895243 /nfs/dbraw/zinc/89/52/43/350895243.db2.gz LBLQYLZWNIPOIN-KRWDZBQOSA-N 1 1 278.359 2.994 20 30 CFEDMO C[C@H](CCC#N)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000602473223 350895639 /nfs/dbraw/zinc/89/56/39/350895639.db2.gz DCIZCYNGPKJIRC-HUUCEWRRSA-N 1 1 251.418 2.732 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000602473223 350895642 /nfs/dbraw/zinc/89/56/42/350895642.db2.gz DCIZCYNGPKJIRC-HUUCEWRRSA-N 1 1 251.418 2.732 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602473647 350896463 /nfs/dbraw/zinc/89/64/63/350896463.db2.gz CADBTUOMHJUDMQ-CHWSQXEVSA-N 1 1 266.385 2.590 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000602475734 350897488 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CFEDMO CO[C@H](Cc1ccccc1)C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981665 351083517 /nfs/dbraw/zinc/08/35/17/351083517.db2.gz HRTZFSGAGBQUPV-GVDBMIGSSA-N 1 1 272.392 2.868 20 30 CFEDMO CC[C@]1(O)CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000602983854 351084347 /nfs/dbraw/zinc/08/43/47/351084347.db2.gz VSTCCPIIAVIXJY-BBRMVZONSA-N 1 1 258.365 2.856 20 30 CFEDMO CCc1cc(CCC[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)on1 ZINC000602982674 351084478 /nfs/dbraw/zinc/08/44/78/351084478.db2.gz WNJXLGJSEMOJCD-IUODEOHRSA-N 1 1 261.369 2.794 20 30 CFEDMO N#Cc1ccc(CC[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1 ZINC000602997644 351088391 /nfs/dbraw/zinc/08/83/91/351088391.db2.gz OISDJIWKORGHOL-KSZLIROESA-N 1 1 284.403 2.726 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c1 ZINC000602997879 351089280 /nfs/dbraw/zinc/08/92/80/351089280.db2.gz SMLLWJFSMISKAC-BBWFWOEESA-N 1 1 270.376 2.684 20 30 CFEDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)ccc1C#N ZINC000602997970 351089321 /nfs/dbraw/zinc/08/93/21/351089321.db2.gz UZOQJEGTBQBKCV-SQNIBIBYSA-N 1 1 284.403 2.992 20 30 CFEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000602998366 351089533 /nfs/dbraw/zinc/08/95/33/351089533.db2.gz KQCSBQWRSWGLPW-RDBSUJKOSA-N 1 1 278.396 2.732 20 30 CFEDMO C[C@]1(C2CCCCC2)CC[N@H+]1CC(=O)NC1(C#N)CCC1 ZINC000603030952 351092608 /nfs/dbraw/zinc/09/26/08/351092608.db2.gz YNBOICDRIWPGKU-MRXNPFEDSA-N 1 1 289.423 2.594 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000603056903 351096687 /nfs/dbraw/zinc/09/66/87/351096687.db2.gz XCKXPFSYCRWAHG-BBRMVZONSA-N 1 1 281.444 2.655 20 30 CFEDMO C[C@H]1C[C@H](Nc2c(C#N)cnn2-c2ccccc2)CC[N@H+]1C ZINC000603295766 351132555 /nfs/dbraw/zinc/13/25/55/351132555.db2.gz GMTVFTPZVONUAY-DZGCQCFKSA-N 1 1 295.390 2.639 20 30 CFEDMO COCc1cc(C#N)ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000603312902 351137191 /nfs/dbraw/zinc/13/71/91/351137191.db2.gz BANAUHUZLQWUHN-NVXWUHKLSA-N 1 1 299.418 2.625 20 30 CFEDMO N#Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000609539885 351505872 /nfs/dbraw/zinc/50/58/72/351505872.db2.gz GOXNKSGRQHQCCP-CQSZACIVSA-N 1 1 295.342 2.579 20 30 CFEDMO N#Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000609539885 351505874 /nfs/dbraw/zinc/50/58/74/351505874.db2.gz GOXNKSGRQHQCCP-CQSZACIVSA-N 1 1 295.342 2.579 20 30 CFEDMO C[N@@H+](CCOc1cccc(C#N)c1)CCOC(C)(C)C ZINC000609540891 351506027 /nfs/dbraw/zinc/50/60/27/351506027.db2.gz HRNSVEVHHKZRGZ-UHFFFAOYSA-N 1 1 276.380 2.684 20 30 CFEDMO CCCC(=O)Nc1cccc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000609574419 351508874 /nfs/dbraw/zinc/50/88/74/351508874.db2.gz YBBDFPMYFQJRTL-OAHLLOKOSA-N 1 1 298.390 2.958 20 30 CFEDMO C[C@@H](CC#N)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000609101492 351484956 /nfs/dbraw/zinc/48/49/56/351484956.db2.gz PTCFWOGESRNHKT-JTQLQIEISA-N 1 1 280.755 2.893 20 30 CFEDMO C[C@H]1C[C@H](Nc2ncc(C#N)cc2Cl)CC[N@H+]1C ZINC000610279951 351548217 /nfs/dbraw/zinc/54/82/17/351548217.db2.gz YJMSYFAXJNOKKS-GXSJLCMTSA-N 1 1 264.760 2.501 20 30 CFEDMO CC(C)(C)C[N@@H+](CCO)Cc1cc(F)ccc1C#N ZINC000610728733 351598479 /nfs/dbraw/zinc/59/84/79/351598479.db2.gz UUSYQORALQXICI-UHFFFAOYSA-N 1 1 264.344 2.538 20 30 CFEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3C[C@@H]4CCC[C@@H]43)o2)cc1 ZINC000610762648 351605781 /nfs/dbraw/zinc/60/57/81/351605781.db2.gz KGERPZYUJHEOHX-KBPBESRZSA-N 1 1 280.331 2.593 20 30 CFEDMO N#Cc1ccc(-c2nnc(C[N@H+]3C[C@@H]4CCC[C@@H]43)o2)cc1 ZINC000610762648 351605785 /nfs/dbraw/zinc/60/57/85/351605785.db2.gz KGERPZYUJHEOHX-KBPBESRZSA-N 1 1 280.331 2.593 20 30 CFEDMO CO[C@H](C[NH2+][C@H](C)CC#N)c1ccc(Cl)cc1 ZINC000610342678 351555971 /nfs/dbraw/zinc/55/59/71/351555971.db2.gz WSFMVHYUGQQHMR-ZWNOBZJWSA-N 1 1 252.745 2.919 20 30 CFEDMO CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000610364369 351559728 /nfs/dbraw/zinc/55/97/28/351559728.db2.gz SJWKVMQWODUMKA-BBRMVZONSA-N 1 1 285.391 2.610 20 30 CFEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610995181 351632313 /nfs/dbraw/zinc/63/23/13/351632313.db2.gz ULMSRXUSOXHVRI-HOTGVXAUSA-N 1 1 287.407 2.979 20 30 CFEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2C2CC2)c1C#N ZINC000611127192 351642928 /nfs/dbraw/zinc/64/29/28/351642928.db2.gz KLPJSDIVWTUVFJ-MRXNPFEDSA-N 1 1 284.359 2.719 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611180439 351648681 /nfs/dbraw/zinc/64/86/81/351648681.db2.gz XQJCHNHMTHKOTP-LLVKDONJSA-N 1 1 266.291 2.654 20 30 CFEDMO COc1cc(C#N)ccc1C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000611235676 351654432 /nfs/dbraw/zinc/65/44/32/351654432.db2.gz BPYIYQTTXRIYFQ-UHFFFAOYSA-N 1 1 288.391 2.956 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CC(C)(C)OCC1(C)C ZINC000611235676 351654436 /nfs/dbraw/zinc/65/44/36/351654436.db2.gz BPYIYQTTXRIYFQ-UHFFFAOYSA-N 1 1 288.391 2.956 20 30 CFEDMO C=C(C)C[N@@H+](CC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611250365 351656950 /nfs/dbraw/zinc/65/69/50/351656950.db2.gz CGJGAOPPPVGJJX-UHFFFAOYSA-N 1 1 292.335 2.764 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611250365 351656954 /nfs/dbraw/zinc/65/69/54/351656954.db2.gz CGJGAOPPPVGJJX-UHFFFAOYSA-N 1 1 292.335 2.764 20 30 CFEDMO Cc1n[nH]cc1C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000611254334 351658077 /nfs/dbraw/zinc/65/80/77/351658077.db2.gz SMJXXMBMXJVURA-LBPRGKRZSA-N 1 1 254.337 2.783 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(c2cccnc2)CC1 ZINC000611258327 351659779 /nfs/dbraw/zinc/65/97/79/351659779.db2.gz HDUIKAZFZBDRBP-AWEZNQCLSA-N 1 1 268.364 2.705 20 30 CFEDMO N#CCC[C@H](C#N)C[NH+]1CCC(c2cccnc2)CC1 ZINC000611258328 351660004 /nfs/dbraw/zinc/66/00/04/351660004.db2.gz HDUIKAZFZBDRBP-CQSZACIVSA-N 1 1 268.364 2.705 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC=C(c3ccc(O)cc3)CC2)ccn1 ZINC000610991481 351629725 /nfs/dbraw/zinc/62/97/25/351629725.db2.gz OFBCLVPWGXJTDP-UHFFFAOYSA-N 1 1 291.354 2.948 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC=C(c3ccc(O)cc3)CC2)ccn1 ZINC000610991481 351629730 /nfs/dbraw/zinc/62/97/30/351629730.db2.gz OFBCLVPWGXJTDP-UHFFFAOYSA-N 1 1 291.354 2.948 20 30 CFEDMO COc1ccc2c(c1)CCC[N@@H+](Cc1ccnc(C#N)c1)C2 ZINC000610992526 351629850 /nfs/dbraw/zinc/62/98/50/351629850.db2.gz NPNOCUMRLBDJAC-UHFFFAOYSA-N 1 1 293.370 2.910 20 30 CFEDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccnc(C#N)c1)C2 ZINC000610992526 351629853 /nfs/dbraw/zinc/62/98/53/351629853.db2.gz NPNOCUMRLBDJAC-UHFFFAOYSA-N 1 1 293.370 2.910 20 30 CFEDMO CCC[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000610993337 351631116 /nfs/dbraw/zinc/63/11/16/351631116.db2.gz NBGKHLWGJQXLQB-ZACQAIPSSA-N 1 1 299.418 2.979 20 30 CFEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610994533 351631370 /nfs/dbraw/zinc/63/13/70/351631370.db2.gz GPAJIJQGMXCPIT-GFCCVEGCSA-N 1 1 263.410 2.917 20 30 CFEDMO N#Cc1cccc(C[NH2+][C@@]2(CO)CCc3ccccc32)c1F ZINC000611373042 351676655 /nfs/dbraw/zinc/67/66/55/351676655.db2.gz GELYBFJDANJSAK-GOSISDBHSA-N 1 1 296.345 2.621 20 30 CFEDMO CC[NH+](CC)CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390076 351679634 /nfs/dbraw/zinc/67/96/34/351679634.db2.gz ACEXRECCJMQJMZ-QGZVFWFLSA-N 1 1 271.408 2.867 20 30 CFEDMO C[C@H](NCC[C@H]1CCC[N@@H+]1C)c1cccc(C#N)c1 ZINC000611388860 351679687 /nfs/dbraw/zinc/67/96/87/351679687.db2.gz KUQVCMNTOPUJLX-XJKSGUPXSA-N 1 1 257.381 2.693 20 30 CFEDMO C[C@H](NCC[C@H]1CCC[N@H+]1C)c1cccc(C#N)c1 ZINC000611388860 351679689 /nfs/dbraw/zinc/67/96/89/351679689.db2.gz KUQVCMNTOPUJLX-XJKSGUPXSA-N 1 1 257.381 2.693 20 30 CFEDMO C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)C[C@@H]1F ZINC000611502523 351700470 /nfs/dbraw/zinc/70/04/70/351700470.db2.gz VDFDACLIJPUFSQ-DOMZBBRYSA-N 1 1 262.328 2.617 20 30 CFEDMO C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C[C@@H]1F ZINC000611502523 351700473 /nfs/dbraw/zinc/70/04/73/351700473.db2.gz VDFDACLIJPUFSQ-DOMZBBRYSA-N 1 1 262.328 2.617 20 30 CFEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1CC=CCC1 ZINC000611517355 351702388 /nfs/dbraw/zinc/70/23/88/351702388.db2.gz TXNJLTUYLRDVAH-HNNXBMFYSA-N 1 1 283.375 2.584 20 30 CFEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CC=CCC1 ZINC000611517355 351702393 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C[C@@]1(C#N)CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000612159975 351781669 /nfs/dbraw/zinc/78/16/69/351781669.db2.gz FAMKFYLHIZYLPK-KRWDZBQOSA-N 1 1 280.375 2.998 20 30 CFEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000612159975 351781672 /nfs/dbraw/zinc/78/16/72/351781672.db2.gz FAMKFYLHIZYLPK-KRWDZBQOSA-N 1 1 280.375 2.998 20 30 CFEDMO COc1cc(C)[nH+]c(CN2CCC[C@@](C)(C#N)C2)c1 ZINC000612163499 351782711 /nfs/dbraw/zinc/78/27/11/351782711.db2.gz RHQCPOWRZMFUTP-HNNXBMFYSA-N 1 1 259.353 2.524 20 30 CFEDMO CC[N@@H+](C)[C@H](C(=O)N1CCC[C@@](C)(C#N)C1)c1ccccc1 ZINC000612367389 351808631 /nfs/dbraw/zinc/80/86/31/351808631.db2.gz OSTDQGPYUPWRCV-WMZOPIPTSA-N 1 1 299.418 2.832 20 30 CFEDMO Cn1nc(C[NH2+]Cc2cc(C#N)cs2)c2ccccc21 ZINC000612692098 351853117 /nfs/dbraw/zinc/85/31/17/351853117.db2.gz RVEYJPYMIYVHBU-UHFFFAOYSA-N 1 1 282.372 2.796 20 30 CFEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000122499239 187035470 /nfs/dbraw/zinc/03/54/70/187035470.db2.gz 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CC[N@@H+](CCN1CCCc2ccccc21)C[C@@H](C)C#N ZINC000152510908 378422214 /nfs/dbraw/zinc/42/22/14/378422214.db2.gz YMOTYPGHKPLWFR-HNNXBMFYSA-N 1 1 271.408 2.921 20 30 CFEDMO Cc1ncc(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)s1 ZINC000328824518 378428741 /nfs/dbraw/zinc/42/87/41/378428741.db2.gz PRRCWCSYDYUGDG-LBPRGKRZSA-N 1 1 295.408 2.683 20 30 CFEDMO O=C(N[C@H]1CC[C@H](CO)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000328831659 378430231 /nfs/dbraw/zinc/43/02/31/378430231.db2.gz UZICTUVOBXPMPC-IIAWOOMASA-N 1 1 294.439 2.901 20 30 CFEDMO C=C(C)C[N@@H+](CC)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000152670505 378437877 /nfs/dbraw/zinc/43/78/77/378437877.db2.gz ZMGAKRYQXCBGTB-UHFFFAOYSA-N 1 1 274.368 2.820 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1nc2oc(C)c(C)c2c(N)n1 ZINC000152670505 378437891 /nfs/dbraw/zinc/43/78/91/378437891.db2.gz ZMGAKRYQXCBGTB-UHFFFAOYSA-N 1 1 274.368 2.820 20 30 CFEDMO C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000329681469 378480517 /nfs/dbraw/zinc/48/05/17/378480517.db2.gz 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/nfs/dbraw/zinc/16/82/53/382168253.db2.gz AKGRWQGYWZXRFL-VXGBXAGGSA-N 1 1 261.344 2.616 20 30 CFEDMO N#Cc1cc(F)ccc1N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000301401368 382168427 /nfs/dbraw/zinc/16/84/27/382168427.db2.gz QFTOPLDSBBQSJZ-QRTARXTBSA-N 1 1 285.366 2.618 20 30 CFEDMO N#Cc1cc(F)ccc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000301401370 382168945 /nfs/dbraw/zinc/16/89/45/382168945.db2.gz QFTOPLDSBBQSJZ-YSVLISHTSA-N 1 1 285.366 2.618 20 30 CFEDMO CCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[C@H](C)c1ccc(C#N)cc1 ZINC000362605392 382169944 /nfs/dbraw/zinc/16/99/44/382169944.db2.gz FJQJAWOSTDSPKV-CKEIUWERSA-N 1 1 299.418 2.665 20 30 CFEDMO Cc1[nH+]ccn1CCCCNc1ccc(C#N)cc1 ZINC000301408755 382171121 /nfs/dbraw/zinc/17/11/21/382171121.db2.gz ITSZRSMDEKAZCG-UHFFFAOYSA-N 1 1 254.337 2.956 20 30 CFEDMO COCCCOCC[N@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187399469 382172071 /nfs/dbraw/zinc/17/20/71/382172071.db2.gz VENRTVYGICVZNI-UHFFFAOYSA-N 1 1 296.798 2.697 20 30 CFEDMO COCCCOCC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187399469 382172080 /nfs/dbraw/zinc/17/20/80/382172080.db2.gz VENRTVYGICVZNI-UHFFFAOYSA-N 1 1 296.798 2.697 20 30 CFEDMO C[C@H](CN1CCCCCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000187568518 382211552 /nfs/dbraw/zinc/21/15/52/382211552.db2.gz JKISNLTYRYIFQT-OAHLLOKOSA-N 1 1 271.408 2.912 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@](C)(CC)C1 ZINC000344225814 382211846 /nfs/dbraw/zinc/21/18/46/382211846.db2.gz YNZCILOCBWJHIE-ZBFHGGJFSA-N 1 1 264.413 2.698 20 30 CFEDMO C[C@H](CN1CCCCCC1)[NH2+]Cc1cccc(C#N)c1 ZINC000187568605 382211865 /nfs/dbraw/zinc/21/18/65/382211865.db2.gz GPLLMEZEKUNZEM-OAHLLOKOSA-N 1 1 271.408 2.912 20 30 CFEDMO C=C(C)COc1cc(C[N@@H+]2CC[C@@H]2COC)ccc1OC ZINC000293653804 382217046 /nfs/dbraw/zinc/21/70/46/382217046.db2.gz NGOTVIQPIZRDEB-OAHLLOKOSA-N 1 1 291.391 2.871 20 30 CFEDMO COC1CC([N@@H+](C)Cc2ccc(C#N)cc2Cl)C1 ZINC000352195680 382221633 /nfs/dbraw/zinc/22/16/33/382221633.db2.gz SKUBHPNBIBOLQN-UHFFFAOYSA-N 1 1 264.756 2.821 20 30 CFEDMO COC1CC([N@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000352203656 382224673 /nfs/dbraw/zinc/22/46/73/382224673.db2.gz UKCJPMRKHJGSID-UHFFFAOYSA-N 1 1 264.756 2.821 20 30 CFEDMO COC1CC([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000352203656 382224682 /nfs/dbraw/zinc/22/46/82/382224682.db2.gz UKCJPMRKHJGSID-UHFFFAOYSA-N 1 1 264.756 2.821 20 30 CFEDMO Cn1cc[nH+]c1C[C@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000301709641 382188120 /nfs/dbraw/zinc/18/81/20/382188120.db2.gz JRMSEOZAFXJKLZ-CYBMUJFWSA-N 1 1 298.365 2.890 20 30 CFEDMO C[N@H+]1CCC[C@@H]2CN(c3snc(Cl)c3C#N)CC[C@@H]21 ZINC000301709791 382188775 /nfs/dbraw/zinc/18/87/75/382188775.db2.gz JUMILPQDKNFUNB-KOLCDFICSA-N 1 1 296.827 2.589 20 30 CFEDMO C=CCOc1ccccc1CNc1nc(N(C)C)cc[nH+]1 ZINC000301733234 382189990 /nfs/dbraw/zinc/18/99/90/382189990.db2.gz PZTKFMVRKBZCGM-UHFFFAOYSA-N 1 1 284.363 2.720 20 30 CFEDMO CC[C@@H]1C[N@H+](CCNc2cc(Cl)ccc2C#N)CCO1 ZINC000362664694 382193658 /nfs/dbraw/zinc/19/36/58/382193658.db2.gz CFLQPCKHTBHGEZ-CQSZACIVSA-N 1 1 293.798 2.734 20 30 CFEDMO CC[C@@H]1C[N@@H+](CCNc2cc(Cl)ccc2C#N)CCO1 ZINC000362664694 382193662 /nfs/dbraw/zinc/19/36/62/382193662.db2.gz CFLQPCKHTBHGEZ-CQSZACIVSA-N 1 1 293.798 2.734 20 30 CFEDMO CCc1nc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)no1 ZINC000377499464 382278463 /nfs/dbraw/zinc/27/84/63/382278463.db2.gz QXVQSYSCBRMBHK-HNNXBMFYSA-N 1 1 296.374 2.883 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000364192075 382279993 /nfs/dbraw/zinc/27/99/93/382279993.db2.gz QIEORMKVJDHUBM-AWEZNQCLSA-N 1 1 296.349 2.867 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](c2ccncn2)C1 ZINC000364192075 382279998 /nfs/dbraw/zinc/27/99/98/382279998.db2.gz QIEORMKVJDHUBM-AWEZNQCLSA-N 1 1 296.349 2.867 20 30 CFEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H]1C1CC1 ZINC000377534609 382285275 /nfs/dbraw/zinc/28/52/75/382285275.db2.gz VMTKUAGTJJZNDW-CYBMUJFWSA-N 1 1 289.404 2.823 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419325661 382285522 /nfs/dbraw/zinc/28/55/22/382285522.db2.gz LHTQHSDGNDBYMT-LSDHHAIUSA-N 1 1 293.455 2.895 20 30 CFEDMO CC[N@@H+]1C[C@H](C)N(c2c(F)cc(C#N)cc2F)C[C@H]1C ZINC000345165493 382288966 /nfs/dbraw/zinc/28/89/66/382288966.db2.gz AMSUKDNMHOLICO-MNOVXSKESA-N 1 1 279.334 2.755 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(c2c(F)cc(C#N)cc2F)C[C@H]1C ZINC000345165493 382288969 /nfs/dbraw/zinc/28/89/69/382288969.db2.gz AMSUKDNMHOLICO-MNOVXSKESA-N 1 1 279.334 2.755 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1CCOCC1 ZINC000187687875 382248049 /nfs/dbraw/zinc/24/80/49/382248049.db2.gz OJWDXQYVUOTHFD-CYBMUJFWSA-N 1 1 258.365 2.978 20 30 CFEDMO C[N@H+]1CCC[C@]2(CCN(Cc3ccc(C#N)s3)C2)C1 ZINC000293719331 382249337 /nfs/dbraw/zinc/24/93/37/382249337.db2.gz TWJOPYGVCHZACR-HNNXBMFYSA-N 1 1 275.421 2.537 20 30 CFEDMO Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCCSCC#N ZINC000363928047 382251099 /nfs/dbraw/zinc/25/10/99/382251099.db2.gz YFAFGBPCDSSLKY-AWEZNQCLSA-N 1 1 278.425 2.512 20 30 CFEDMO C=CCOc1cccc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c1 ZINC000363937952 382251215 /nfs/dbraw/zinc/25/12/15/382251215.db2.gz MDQAQRFZBFKERW-OAHLLOKOSA-N 1 1 283.375 2.622 20 30 CFEDMO C=CCOCC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000293727008 382252840 /nfs/dbraw/zinc/25/28/40/382252840.db2.gz GGWHFEPGUUDXLZ-ZDUSSCGKSA-N 1 1 279.405 2.988 20 30 CFEDMO COCC1=CC[N@H+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000187728892 382257415 /nfs/dbraw/zinc/25/74/15/382257415.db2.gz DDROIWAZBWXYDI-CYBMUJFWSA-N 1 1 256.349 2.898 20 30 CFEDMO C=CCC1(C[NH2+][C@@H](C(=O)OC)C2CC2)CCCC1 ZINC000419252094 382261720 /nfs/dbraw/zinc/26/17/20/382261720.db2.gz HGXRMUDAUGOJFX-CYBMUJFWSA-N 1 1 251.370 2.664 20 30 CFEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000419373633 382302479 /nfs/dbraw/zinc/30/24/79/382302479.db2.gz ONPHCDZAPTVWQM-UMPJEAMMSA-N 1 1 297.402 2.640 20 30 CFEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000302737796 382307694 /nfs/dbraw/zinc/30/76/94/382307694.db2.gz GTGFKJIOOSBRJX-AWEZNQCLSA-N 1 1 266.429 2.969 20 30 CFEDMO CCC[N@@H+](CC)C[C@H](C)Nc1nccc(C#N)c1Cl ZINC000357775873 382314743 /nfs/dbraw/zinc/31/47/43/382314743.db2.gz RMNHZNAWFHXHNP-NSHDSACASA-N 1 1 280.803 2.561 20 30 CFEDMO Cc1ncccc1OC[C@@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000419394114 382315812 /nfs/dbraw/zinc/31/58/12/382315812.db2.gz RPHDALBRMJXMEW-AWEZNQCLSA-N 1 1 271.364 2.537 20 30 CFEDMO Cc1ncccc1OC[C@@H]1CCC[N@H+]1CC1(C#N)CC1 ZINC000419394114 382315819 /nfs/dbraw/zinc/31/58/19/382315819.db2.gz RPHDALBRMJXMEW-AWEZNQCLSA-N 1 1 271.364 2.537 20 30 CFEDMO C[C@H](C#N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000345822851 382316074 /nfs/dbraw/zinc/31/60/74/382316074.db2.gz YEIZHGJQHKQQDO-CABCVRRESA-N 1 1 299.418 2.837 20 30 CFEDMO C[C@H](C#N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000345819650 382316249 /nfs/dbraw/zinc/31/62/49/382316249.db2.gz SBZKBMIMPUDBPL-HUUCEWRRSA-N 1 1 299.418 2.837 20 30 CFEDMO CC[N@@H+](Cc1ccccc1C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345863510 382318633 /nfs/dbraw/zinc/31/86/33/382318633.db2.gz QVCNUHCAXXYMDL-OAHLLOKOSA-N 1 1 299.418 2.768 20 30 CFEDMO Cn1cc(C[N@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)cc1C#N ZINC000293885385 382322013 /nfs/dbraw/zinc/32/20/13/382322013.db2.gz DKLDPFVTXVFRAV-GJZGRUSLSA-N 1 1 257.381 2.907 20 30 CFEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000188012237 382324713 /nfs/dbraw/zinc/32/47/13/382324713.db2.gz XZTZCJWFXLFSDH-CZUORRHYSA-N 1 1 258.365 2.541 20 30 CFEDMO C=CCCC[N@@H+](C)C[C@H](CN)c1ccc(OC)cc1 ZINC000420294936 382345514 /nfs/dbraw/zinc/34/55/14/382345514.db2.gz BOAYBRQVXCTISW-HNNXBMFYSA-N 1 1 262.397 2.636 20 30 CFEDMO C=CCCC[N@H+](C)C[C@H](CN)c1ccc(OC)cc1 ZINC000420294936 382345518 /nfs/dbraw/zinc/34/55/18/382345518.db2.gz BOAYBRQVXCTISW-HNNXBMFYSA-N 1 1 262.397 2.636 20 30 CFEDMO C=C[C@H](C)NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000346068566 382331140 /nfs/dbraw/zinc/33/11/40/382331140.db2.gz USXFAXXFZMBQIE-GWCFXTLKSA-N 1 1 266.772 2.633 20 30 CFEDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(Cl)c(C#N)n1 ZINC000357806579 382331634 /nfs/dbraw/zinc/33/16/34/382331634.db2.gz MXYSRCZXGNCKPN-NSHDSACASA-N 1 1 280.803 2.561 20 30 CFEDMO C=C(C)[C@H](CO)[NH2+][C@@H](COCC(C)C)c1ccco1 ZINC000680391780 542319934 /nfs/dbraw/zinc/31/99/34/542319934.db2.gz WCZVUTGYEAOXTA-KBPBESRZSA-N 1 1 267.369 2.520 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000352450300 382338585 /nfs/dbraw/zinc/33/85/85/382338585.db2.gz QXOHMPNRUYQHPS-LBPRGKRZSA-N 1 1 292.345 2.733 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000419351761 382294806 /nfs/dbraw/zinc/29/48/06/382294806.db2.gz JQCIEMRHUFHWNL-WOPDTQHZSA-N 1 1 273.336 2.943 20 30 CFEDMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C#N)s1 ZINC000364292392 382299040 /nfs/dbraw/zinc/29/90/40/382299040.db2.gz UUHQITSGQPVZHM-XQQFMLRXSA-N 1 1 275.421 2.897 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCSC[C@@H]1C1CCC1 ZINC000419367422 382300196 /nfs/dbraw/zinc/30/01/96/382300196.db2.gz URYJJRMOEVWJNN-OAHLLOKOSA-N 1 1 296.480 2.629 20 30 CFEDMO CC(C)C[N@H+]1CC[C@@H](CNc2c(C#N)cccc2C#N)C1 ZINC000302903818 382349542 /nfs/dbraw/zinc/34/95/42/382349542.db2.gz UWCWFTKFXXQUOW-AWEZNQCLSA-N 1 1 282.391 2.820 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)C[C@H](C)c1ccccc1C ZINC000293971115 382360881 /nfs/dbraw/zinc/36/08/81/382360881.db2.gz MAADLSFUHXIHKT-INIZCTEOSA-N 1 1 286.419 2.560 20 30 CFEDMO C[C@H]1CC[C@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC000365264638 382368421 /nfs/dbraw/zinc/36/84/21/382368421.db2.gz VYNGYFLDHJQSDO-BBRMVZONSA-N 1 1 257.381 2.909 20 30 CFEDMO C[C@H]1CC[C@@]2(CC[N@@H+](Cc3cc(C#N)n(C)c3)C2)C1 ZINC000365264641 382368673 /nfs/dbraw/zinc/36/86/73/382368673.db2.gz VYNGYFLDHJQSDO-XJKSGUPXSA-N 1 1 257.381 2.909 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCCO[C@H]3CCC[C@@H]32)cc1F ZINC000365274982 382370741 /nfs/dbraw/zinc/37/07/41/382370741.db2.gz NGNAATDHKYHSMO-HOTGVXAUSA-N 1 1 274.339 2.841 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCCC(CC)(CC)CC1 ZINC000346470030 382376460 /nfs/dbraw/zinc/37/64/60/382376460.db2.gz MLKHLWHRRHCQHV-AWEZNQCLSA-N 1 1 266.429 2.969 20 30 CFEDMO C[C@H]1C[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C ZINC000352539788 382386508 /nfs/dbraw/zinc/38/65/08/382386508.db2.gz CROHQRUGQCKUNN-JKIFEVAISA-N 1 1 297.402 2.641 20 30 CFEDMO C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)c2nccn21 ZINC000294057921 382398314 /nfs/dbraw/zinc/39/83/14/382398314.db2.gz JYCNFBCAPUSYLR-SMDDNHRTSA-N 1 1 252.321 2.550 20 30 CFEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000378063318 382392918 /nfs/dbraw/zinc/39/29/18/382392918.db2.gz WIYVVJQYDVLHDA-IRXDYDNUSA-N 1 1 282.387 2.856 20 30 CFEDMO CC[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc(C#N)cc1 ZINC000365741115 382435316 /nfs/dbraw/zinc/43/53/16/382435316.db2.gz ZJVDYHZRJUBCIA-HZPDHXFCSA-N 1 1 280.375 2.880 20 30 CFEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)[C@H]1CCC[C@H]1O ZINC000352657574 382435908 /nfs/dbraw/zinc/43/59/08/382435908.db2.gz GQXMWFPFTZLBDE-JKSUJKDBSA-N 1 1 272.392 2.833 20 30 CFEDMO C=C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358089997 382448356 /nfs/dbraw/zinc/44/83/56/382448356.db2.gz GUHONGJGJUACAQ-IHRRRGAJSA-N 1 1 279.428 2.513 20 30 CFEDMO CN(C[C@@H]1CCC[N@H+]1C)c1c(Cl)cccc1C#N ZINC000420637427 382438141 /nfs/dbraw/zinc/43/81/41/382438141.db2.gz ONCAKWFDPKMZNR-LBPRGKRZSA-N 1 1 263.772 2.742 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)s1 ZINC000378347551 382444314 /nfs/dbraw/zinc/44/43/14/382444314.db2.gz VSNSMJPNDYUDFY-LBPRGKRZSA-N 1 1 285.372 2.668 20 30 CFEDMO C=C(CC)C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000346555182 382411558 /nfs/dbraw/zinc/41/15/58/382411558.db2.gz HAFQJDZFJCMQCX-HZPDHXFCSA-N 1 1 268.445 2.679 20 30 CFEDMO C=C(CC)C[NH2+][C@@H]1CCN(CCCOCC)C[C@H]1C ZINC000346555182 382411559 /nfs/dbraw/zinc/41/15/59/382411559.db2.gz HAFQJDZFJCMQCX-HZPDHXFCSA-N 1 1 268.445 2.679 20 30 CFEDMO C=CC[N@H+](C)[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000346569046 382417805 /nfs/dbraw/zinc/41/78/05/382417805.db2.gz LJLXHODMRIFBJL-HNNXBMFYSA-N 1 1 294.345 2.574 20 30 CFEDMO C#CC[N@H+](C[C@@H](O)c1ccccc1F)C1CCCC1 ZINC000305035887 382419668 /nfs/dbraw/zinc/41/96/68/382419668.db2.gz YTLCLPXCTWPLML-MRXNPFEDSA-N 1 1 261.340 2.737 20 30 CFEDMO C#CC[N@H+](C[C@@H](O)c1ccc(F)cc1)C1CCCC1 ZINC000304975246 382419808 /nfs/dbraw/zinc/41/98/08/382419808.db2.gz CAIRNNPVZGJLIM-MRXNPFEDSA-N 1 1 261.340 2.737 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000365928088 382458871 /nfs/dbraw/zinc/45/88/71/382458871.db2.gz NBFPMYADARXSLV-DLBZAZTESA-N 1 1 255.361 2.669 20 30 CFEDMO C=CCOc1cccc(CN(C)CC(C)(C)C[NH3+])c1 ZINC000346665659 382460992 /nfs/dbraw/zinc/46/09/92/382460992.db2.gz DGDPWWFPHVGIKV-UHFFFAOYSA-N 1 1 262.397 2.668 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H]2C=CCCCCC2)C1=O ZINC000294212473 382461661 /nfs/dbraw/zinc/46/16/61/382461661.db2.gz RYLXOZIQDMGMPU-CABCVRRESA-N 1 1 262.397 2.594 20 30 CFEDMO N#Cc1csc(C[NH2+]C/C=C\c2ccccc2)n1 ZINC000352805874 382475263 /nfs/dbraw/zinc/47/52/63/382475263.db2.gz YOHCMGQKDBLJIN-DAXSKMNVSA-N 1 1 255.346 2.818 20 30 CFEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000352886593 382479782 /nfs/dbraw/zinc/47/97/82/382479782.db2.gz HQFOMSNXZVFUOI-HRCADAONSA-N 1 1 266.429 2.526 20 30 CFEDMO C=C(C)C[N@H+](CCCCO)Cc1cnn(C(C)C)c1 ZINC000352920830 382483202 /nfs/dbraw/zinc/48/32/02/382483202.db2.gz BFBQKSDXZXAPRO-UHFFFAOYSA-N 1 1 265.401 2.615 20 30 CFEDMO C=CCOc1ccccc1CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000352929300 382483438 /nfs/dbraw/zinc/48/34/38/382483438.db2.gz GCCVSMDGJXDUDJ-RDJZCZTQSA-N 1 1 286.419 2.777 20 30 CFEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000352929300 382483442 /nfs/dbraw/zinc/48/34/42/382483442.db2.gz GCCVSMDGJXDUDJ-RDJZCZTQSA-N 1 1 286.419 2.777 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000352929300 382483447 /nfs/dbraw/zinc/48/34/47/382483447.db2.gz GCCVSMDGJXDUDJ-RDJZCZTQSA-N 1 1 286.419 2.777 20 30 CFEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000346707996 382486026 /nfs/dbraw/zinc/48/60/26/382486026.db2.gz PPXYJVVPECNVFP-BBWFWOEESA-N 1 1 281.440 2.985 20 30 CFEDMO C#C[C@H](CC)[NH2+]Cc1cc(O)ccc1Br ZINC000309214542 382489052 /nfs/dbraw/zinc/48/90/52/382489052.db2.gz UEAFUXXJRYZIRP-SNVBAGLBSA-N 1 1 268.154 2.656 20 30 CFEDMO CC(C)[C@@](C)(O)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000366498963 382521044 /nfs/dbraw/zinc/52/10/44/382521044.db2.gz VKKBZYQBFKUFTP-IKGGRYGDSA-N 1 1 272.392 2.633 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)[C@H]1C ZINC000420929623 382499408 /nfs/dbraw/zinc/49/94/08/382499408.db2.gz RBBGEBYJAQSSRF-QLFBSQMISA-N 1 1 297.439 2.756 20 30 CFEDMO C=CCNC(=O)C[N@H+](C(C)C)[C@H](C)c1ccsc1 ZINC000421010421 382504257 /nfs/dbraw/zinc/50/42/57/382504257.db2.gz OHRYOBWTWSKPID-GFCCVEGCSA-N 1 1 266.410 2.822 20 30 CFEDMO C=CCOc1cccc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c1 ZINC000421361217 382512974 /nfs/dbraw/zinc/51/29/74/382512974.db2.gz KOKKJNNFIXAQDD-GDBMZVCRSA-N 1 1 275.392 2.702 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000358286367 382548458 /nfs/dbraw/zinc/54/84/58/382548458.db2.gz ZSMWETMCGWCTRJ-GFCCVEGCSA-N 1 1 272.377 2.987 20 30 CFEDMO N#CC1(CCC[N@H+]2CCCO[C@@H]3CCC[C@H]32)CCOCC1 ZINC000366928323 382553737 /nfs/dbraw/zinc/55/37/37/382553737.db2.gz AUEBGIIGHASIRQ-HZPDHXFCSA-N 1 1 292.423 2.730 20 30 CFEDMO CC(=O)Nc1ccn([C@@H]2CC[N@H+]([C@@H](C)c3ccccn3)C2)n1 ZINC000328617207 382554479 /nfs/dbraw/zinc/55/44/79/382554479.db2.gz CLVVUEUENNUNJG-GXTWGEPZSA-N 1 1 299.378 2.894 20 30 CFEDMO C=CCN(CC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000367001022 382554691 /nfs/dbraw/zinc/55/46/91/382554691.db2.gz NGHLTHCBABBPFK-HOTGVXAUSA-N 1 1 287.407 2.649 20 30 CFEDMO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C ZINC000328614087 382554852 /nfs/dbraw/zinc/55/48/52/382554852.db2.gz VGANXMRHTUCOQL-RDBSUJKOSA-N 1 1 282.428 2.878 20 30 CFEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000358308617 382560712 /nfs/dbraw/zinc/56/07/12/382560712.db2.gz KAJNRWDXDAYFGX-WQGACYEGSA-N 1 1 275.371 2.516 20 30 CFEDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000358308617 382560719 /nfs/dbraw/zinc/56/07/19/382560719.db2.gz KAJNRWDXDAYFGX-WQGACYEGSA-N 1 1 275.371 2.516 20 30 CFEDMO CC[N@@H+](Cc1ccnc(OC)n1)[C@H](C)c1ccc(C#N)cc1 ZINC000295007353 382560784 /nfs/dbraw/zinc/56/07/84/382560784.db2.gz ZATJORLTLZILIV-CYBMUJFWSA-N 1 1 296.374 2.940 20 30 CFEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@]2(C)CCC(=O)NC2)C1 ZINC000328671094 382562643 /nfs/dbraw/zinc/56/26/43/382562643.db2.gz NDYDLXXBULFLOY-CZUORRHYSA-N 1 1 295.427 2.677 20 30 CFEDMO C#Cc1ccc(C[N@H+](C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000367293527 382562677 /nfs/dbraw/zinc/56/26/77/382562677.db2.gz CJCCIDQPADCVFH-ZACQAIPSSA-N 1 1 269.388 2.913 20 30 CFEDMO CCCCCCCCC(=O)N1CC[NH2+]C[C@@H]1C(F)F ZINC000367288515 382562758 /nfs/dbraw/zinc/56/27/58/382562758.db2.gz YAZGSYKAZSKEBO-GFCCVEGCSA-N 1 1 276.371 2.803 20 30 CFEDMO CO[C@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CC[C@H]1C ZINC000189264034 382577302 /nfs/dbraw/zinc/57/73/02/382577302.db2.gz YNBLECUXMCIOGG-ABAIWWIYSA-N 1 1 262.328 2.554 20 30 CFEDMO C=CCC[C@@H](C)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000294873846 382537121 /nfs/dbraw/zinc/53/71/21/382537121.db2.gz CYGHWHBZPLWPJB-CYBMUJFWSA-N 1 1 256.353 2.712 20 30 CFEDMO CCC[N@@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000346970872 382592285 /nfs/dbraw/zinc/59/22/85/382592285.db2.gz ATTUJAUMSWMFMF-NPCAHTBFSA-N 1 1 279.428 2.648 20 30 CFEDMO C=CCOc1ccc(C[NH2+]Cc2cnc(C)o2)cc1 ZINC000398090415 382634983 /nfs/dbraw/zinc/63/49/83/382634983.db2.gz XMTORYXCWVDJFK-UHFFFAOYSA-N 1 1 258.321 2.838 20 30 CFEDMO COCC[N@@H+](C)CCCNc1ccc(C#N)c(Cl)c1 ZINC000189431883 382608051 /nfs/dbraw/zinc/60/80/51/382608051.db2.gz SNTIRFGQALQITJ-UHFFFAOYSA-N 1 1 281.787 2.592 20 30 CFEDMO COc1cc(C#N)ccc1Cn1c[nH+]c2c1CCCC2 ZINC000295323952 382617072 /nfs/dbraw/zinc/61/70/72/382617072.db2.gz OKCVMJXZOHWWBW-UHFFFAOYSA-N 1 1 267.332 2.690 20 30 CFEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H](O)Cc1ccccc1 ZINC000353748327 382624635 /nfs/dbraw/zinc/62/46/35/382624635.db2.gz HVNMYRKBUHPFCL-OAHLLOKOSA-N 1 1 286.400 2.655 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)s2)C[C@@H]1C ZINC000353748877 382624758 /nfs/dbraw/zinc/62/47/58/382624758.db2.gz SLUNNFREJKZMLT-STQMWFEESA-N 1 1 277.437 2.924 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(C#N)cs2)C[C@H]1C ZINC000353750941 382626435 /nfs/dbraw/zinc/62/64/35/382626435.db2.gz PBFDXXIVVIOBCQ-OCCSQVGLSA-N 1 1 277.437 2.924 20 30 CFEDMO C=CCOc1ccc(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc1 ZINC000346940616 382579120 /nfs/dbraw/zinc/57/91/20/382579120.db2.gz VPPLEOZUVHLAFT-UHFFFAOYSA-N 1 1 297.358 2.965 20 30 CFEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[NH+]1CCC(CF)CC1 ZINC000295199149 382580995 /nfs/dbraw/zinc/58/09/95/382580995.db2.gz UYYODRRUVHJGHT-GFCCVEGCSA-N 1 1 289.354 2.567 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2cnc3ccc(C#N)cn23)CCS1 ZINC000190689409 382677994 /nfs/dbraw/zinc/67/79/94/382677994.db2.gz YXXUSXQRTWBZRJ-GFCCVEGCSA-N 1 1 286.404 2.533 20 30 CFEDMO CCN(CC)[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)CC(C)C ZINC000190744898 382679413 /nfs/dbraw/zinc/67/94/13/382679413.db2.gz CZNBCPQKECZVPT-QGZVFWFLSA-N 1 1 290.455 2.743 20 30 CFEDMO CCCCOc1ncccc1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190875445 382683437 /nfs/dbraw/zinc/68/34/37/382683437.db2.gz DNNQDZRLPHQTKZ-UHFFFAOYSA-N 1 1 298.390 2.760 20 30 CFEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000399008222 382637327 /nfs/dbraw/zinc/63/73/27/382637327.db2.gz VPJDTGYMBYWGEX-PBHICJAKSA-N 1 1 272.392 2.878 20 30 CFEDMO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000191128989 382692268 /nfs/dbraw/zinc/69/22/68/382692268.db2.gz HNHIGJPMKYTJCI-LBPRGKRZSA-N 1 1 296.798 2.801 20 30 CFEDMO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000191128989 382692269 /nfs/dbraw/zinc/69/22/69/382692269.db2.gz HNHIGJPMKYTJCI-LBPRGKRZSA-N 1 1 296.798 2.801 20 30 CFEDMO CS[C@@H]1CCCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191448417 382700480 /nfs/dbraw/zinc/70/04/80/382700480.db2.gz FQZOCIPQLANHPE-CQSZACIVSA-N 1 1 263.410 2.614 20 30 CFEDMO C=C(C)C[N@H+](CC)[C@H]1CCc2ccccc2NC1=O ZINC000191910339 382703216 /nfs/dbraw/zinc/70/32/16/382703216.db2.gz QTKHSYZPVVRSFT-HNNXBMFYSA-N 1 1 258.365 2.838 20 30 CFEDMO CCCCNC(=O)[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000191974711 382703839 /nfs/dbraw/zinc/70/38/39/382703839.db2.gz BROSZYNKFOAZAV-SFHVURJKSA-N 1 1 298.430 2.666 20 30 CFEDMO COc1ccc(C[N@H+](C)CC#Cc2ccccc2)cc1O ZINC000192066412 382704480 /nfs/dbraw/zinc/70/44/80/382704480.db2.gz ZEPQUCXQDBRPBA-UHFFFAOYSA-N 1 1 281.355 2.884 20 30 CFEDMO COc1ccc(C[N@@H+](C)CC#Cc2ccccc2)cc1O ZINC000192066412 382704481 /nfs/dbraw/zinc/70/44/81/382704481.db2.gz ZEPQUCXQDBRPBA-UHFFFAOYSA-N 1 1 281.355 2.884 20 30 CFEDMO C#CCCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000192095553 382704831 /nfs/dbraw/zinc/70/48/31/382704831.db2.gz UCMFHNAFJSUQAN-GOSISDBHSA-N 1 1 298.430 2.961 20 30 CFEDMO C#CCCCC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192143090 382705070 /nfs/dbraw/zinc/70/50/70/382705070.db2.gz HNWLJXHLMSQBSQ-GOSISDBHSA-N 1 1 298.430 2.770 20 30 CFEDMO C[S@@](=O)C[C@H]([NH2+]CC#Cc1ccccc1)c1ccccc1 ZINC000192159434 382705087 /nfs/dbraw/zinc/70/50/87/382705087.db2.gz BMEHRIUPFYSAOA-GHTZIAJQSA-N 1 1 297.423 2.748 20 30 CFEDMO CCCn1cc[nH+]c1CCCN(C)c1ncccc1C#N ZINC000192235918 382705675 /nfs/dbraw/zinc/70/56/75/382705675.db2.gz DMLXZJSYXICRDN-UHFFFAOYSA-N 1 1 283.379 2.629 20 30 CFEDMO C=CCCCCC[N@H+]1CCOC2(CCOCC2)C1 ZINC000193407546 382719680 /nfs/dbraw/zinc/71/96/80/382719680.db2.gz HPHGQDRNICEUGW-UHFFFAOYSA-N 1 1 253.386 2.614 20 30 CFEDMO C#CCC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193825416 382726343 /nfs/dbraw/zinc/72/63/43/382726343.db2.gz RCGRFAWNYMWBHA-KRWDZBQOSA-N 1 1 298.430 2.674 20 30 CFEDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000575192933 382731036 /nfs/dbraw/zinc/73/10/36/382731036.db2.gz RWNNSWUYIQMDKT-INIZCTEOSA-N 1 1 273.380 2.734 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](C)Cc2ccc(C)cc2)C1=O ZINC000337132192 382765667 /nfs/dbraw/zinc/76/56/67/382765667.db2.gz AIHAUDXYRLGSMC-WBVHZDCISA-N 1 1 286.419 2.645 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](CC=C)CC2CCCCC2)C1=O ZINC000337168438 382770655 /nfs/dbraw/zinc/77/06/55/382770655.db2.gz DDEUAAQRMNPLNH-MRXNPFEDSA-N 1 1 276.424 2.842 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2C(C)(C)CC)C1=O ZINC000337183186 382772649 /nfs/dbraw/zinc/77/26/49/382772649.db2.gz NODWCDASWGGCDQ-KGLIPLIRSA-N 1 1 264.413 2.674 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)C2CCC(CC)CC2)C1=O ZINC000337182718 382772881 /nfs/dbraw/zinc/77/28/81/382772881.db2.gz NANWMFSONHRCKA-NRXISQOPSA-N 1 1 264.413 2.674 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@@H]2CC(C)C)C1=O ZINC000337186440 382773253 /nfs/dbraw/zinc/77/32/53/382773253.db2.gz PIOINSZNJALYPM-HUUCEWRRSA-N 1 1 264.413 2.674 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](c3ccccc3C)C[C@@H]2C)C1=O ZINC000337194385 382774485 /nfs/dbraw/zinc/77/44/85/382774485.db2.gz VHKWYUWOQMSSNZ-BQFCYCMXSA-N 1 1 298.430 2.960 20 30 CFEDMO CN(C)C1(C[N@@H+](C)CCCC2(C#N)CCOCC2)CCC1 ZINC000337210380 382777582 /nfs/dbraw/zinc/77/75/82/382777582.db2.gz UAEPVAVTZYNLNG-UHFFFAOYSA-N 1 1 293.455 2.503 20 30 CFEDMO CN(CCCC1(C#N)CCOCC1)CC1([NH+](C)C)CCC1 ZINC000337210380 382777584 /nfs/dbraw/zinc/77/75/84/382777584.db2.gz UAEPVAVTZYNLNG-UHFFFAOYSA-N 1 1 293.455 2.503 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCC[C@H](C)C2)C1=O ZINC000337232920 382781777 /nfs/dbraw/zinc/78/17/77/382781777.db2.gz VYPFCLPWJPKCJK-KKUMJFAQSA-N 1 1 264.413 2.531 20 30 CFEDMO CC(C)(C)[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCO1 ZINC000337262282 382788565 /nfs/dbraw/zinc/78/85/65/382788565.db2.gz WOVMCAYZALTJAO-HNNXBMFYSA-N 1 1 294.439 2.834 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccccn1 ZINC000194713957 382752678 /nfs/dbraw/zinc/75/26/78/382752678.db2.gz CTEMIOIACDVEII-OLZOCXBDSA-N 1 1 294.358 2.631 20 30 CFEDMO C=CCC[NH+]1CCN(C(=O)c2cc3occc3s2)CC1 ZINC000337046404 382755415 /nfs/dbraw/zinc/75/54/15/382755415.db2.gz GHBRJKIULMVYDP-UHFFFAOYSA-N 1 1 290.388 2.828 20 30 CFEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000337380434 382812589 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ZINC000562478449 383158662 /nfs/dbraw/zinc/15/86/62/383158662.db2.gz HKJLGSLJSLNTKQ-HUUCEWRRSA-N 1 1 252.402 2.799 20 30 CFEDMO C=CCCCC[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000562532766 383160379 /nfs/dbraw/zinc/16/03/79/383160379.db2.gz NUCGIABYLKVBQD-CYBMUJFWSA-N 1 1 296.436 2.683 20 30 CFEDMO C=CCCCC[C@H](C)[NH2+]C[C@H](C(C)C)N1CCN(C)CC1 ZINC000449079551 383165103 /nfs/dbraw/zinc/16/51/03/383165103.db2.gz ZFACRMYNLHTSSC-ZWKOTPCHSA-N 1 1 295.515 2.983 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](C)C2CCCCC2)C1=O ZINC000339153758 383169090 /nfs/dbraw/zinc/16/90/90/383169090.db2.gz KWTNVGGXSFIOHC-GDBMZVCRSA-N 1 1 278.440 2.922 20 30 CFEDMO C=CCOc1cccc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c1 ZINC000564252625 383170159 /nfs/dbraw/zinc/17/01/59/383170159.db2.gz OLBICOCHTUDJMD-FZNQNYSPSA-N 1 1 261.365 2.861 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000248476027 383249010 /nfs/dbraw/zinc/24/90/10/383249010.db2.gz YASPNTBEPQQTLN-GOEBONIOSA-N 1 1 279.355 2.606 20 30 CFEDMO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000248638692 383276436 /nfs/dbraw/zinc/27/64/36/383276436.db2.gz WFWRUDLQMMLMBM-AEFFLSMTSA-N 1 1 284.403 2.742 20 30 CFEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000424628650 383215657 /nfs/dbraw/zinc/21/56/57/383215657.db2.gz PZROHDQKAUMHHE-CQSZACIVSA-N 1 1 266.429 2.825 20 30 CFEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)[C@H]1C ZINC000248357000 383227565 /nfs/dbraw/zinc/22/75/65/383227565.db2.gz PAACLIKJNTYRDB-MNOVXSKESA-N 1 1 291.782 2.880 20 30 CFEDMO CC#CCCN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248401265 383236351 /nfs/dbraw/zinc/23/63/51/383236351.db2.gz ZFTXDSYLCKJDJU-IAGOWNOFSA-N 1 1 262.441 2.986 20 30 CFEDMO CC#CCCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000248401265 383236354 /nfs/dbraw/zinc/23/63/54/383236354.db2.gz ZFTXDSYLCKJDJU-IAGOWNOFSA-N 1 1 262.441 2.986 20 30 CFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H]1C ZINC000339563729 383244390 /nfs/dbraw/zinc/24/43/90/383244390.db2.gz ZWMCEJHZDBPSFA-MJBXVCDLSA-N 1 1 292.448 2.991 20 30 CFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H]1C ZINC000339563730 383244542 /nfs/dbraw/zinc/24/45/42/383244542.db2.gz ZWMCEJHZDBPSFA-RDBSUJKOSA-N 1 1 292.448 2.991 20 30 CFEDMO Cc1nnc([C@@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)[nH]1 ZINC000567137095 383245850 /nfs/dbraw/zinc/24/58/50/383245850.db2.gz DASOHKMKWPWVQY-XHDPSFHLSA-N 1 1 281.363 2.535 20 30 CFEDMO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000567137095 383245853 /nfs/dbraw/zinc/24/58/53/383245853.db2.gz DASOHKMKWPWVQY-XHDPSFHLSA-N 1 1 281.363 2.535 20 30 CFEDMO Cc1n[nH]c([C@@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)n1 ZINC000567137095 383245856 /nfs/dbraw/zinc/24/58/56/383245856.db2.gz DASOHKMKWPWVQY-XHDPSFHLSA-N 1 1 281.363 2.535 20 30 CFEDMO Cc1nc([C@@H]2CC[N@@H+]([C@@H](C)c3cccc(C#N)c3)C2)n[nH]1 ZINC000567137095 383245858 /nfs/dbraw/zinc/24/58/58/383245858.db2.gz DASOHKMKWPWVQY-XHDPSFHLSA-N 1 1 281.363 2.535 20 30 CFEDMO Cc1nc([C@@H]2CC[N@H+]([C@@H](C)c3cccc(C#N)c3)C2)n[nH]1 ZINC000567137095 383245861 /nfs/dbraw/zinc/24/58/61/383245861.db2.gz DASOHKMKWPWVQY-XHDPSFHLSA-N 1 1 281.363 2.535 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCO[C@H](C(C)C)C1 ZINC000339820790 383330548 /nfs/dbraw/zinc/33/05/48/383330548.db2.gz LQMGMLXJAKCOBA-HOTGVXAUSA-N 1 1 296.455 2.546 20 30 CFEDMO CCO[C@@H]1CC[N@@H+](Cc2ccccc2C#N)C[C@@H]1C ZINC000449497025 383334503 /nfs/dbraw/zinc/33/45/03/383334503.db2.gz JWSSBUJWTAAIHM-XJKSGUPXSA-N 1 1 258.365 2.805 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000249288145 383337709 /nfs/dbraw/zinc/33/77/09/383337709.db2.gz QAKNPKXOGKHZCY-MFKMUULPSA-N 1 1 284.281 2.618 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000249288145 383337712 /nfs/dbraw/zinc/33/77/12/383337712.db2.gz QAKNPKXOGKHZCY-MFKMUULPSA-N 1 1 284.281 2.618 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248715663 383283784 /nfs/dbraw/zinc/28/37/84/383283784.db2.gz KCTKVQIFZVBWCY-GHMZBOCLSA-N 1 1 292.345 2.588 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248715663 383283791 /nfs/dbraw/zinc/28/37/91/383283791.db2.gz KCTKVQIFZVBWCY-GHMZBOCLSA-N 1 1 292.345 2.588 20 30 CFEDMO C=CC1CC[NH+](Cc2c(C#N)cccc2[N+](=O)[O-])CC1 ZINC000459335048 383286269 /nfs/dbraw/zinc/28/62/69/383286269.db2.gz AYJJGOOQXGIIAQ-UHFFFAOYSA-N 1 1 271.320 2.864 20 30 CFEDMO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000459468979 383288611 /nfs/dbraw/zinc/28/86/11/383288611.db2.gz UDDRFTJULPXITN-BETUJISGSA-N 1 1 275.371 2.612 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000339709114 383293711 /nfs/dbraw/zinc/29/37/11/383293711.db2.gz BGNMVAGSSXAQJJ-ILXRZTDVSA-N 1 1 291.439 2.505 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C[C@H]1n1ccnc1 ZINC000248911692 383307721 /nfs/dbraw/zinc/30/77/21/383307721.db2.gz YDZKTOAMDDDMQG-CXAGYDPISA-N 1 1 298.365 2.977 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)s1 ZINC000449468772 383312231 /nfs/dbraw/zinc/31/22/31/383312231.db2.gz LLASTJUKYHRRHX-RBSFLKMASA-N 1 1 276.405 2.745 20 30 CFEDMO C=C(C)CC[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000449472014 383314961 /nfs/dbraw/zinc/31/49/61/383314961.db2.gz DXDGJPUJMZKARZ-UHFFFAOYSA-N 1 1 256.353 2.632 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000425105584 383325061 /nfs/dbraw/zinc/32/50/61/383325061.db2.gz FHTHAERJWGBVMV-ZQIUZPCESA-N 1 1 299.418 2.808 20 30 CFEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC2(C#N)CCC2)C1 ZINC000450325273 383390635 /nfs/dbraw/zinc/39/06/35/383390635.db2.gz TVDANADCGRDLFK-GJZGRUSLSA-N 1 1 291.439 2.697 20 30 CFEDMO CN(CC[N@H+](C)CC1(C#N)CCC1)c1ccccc1 ZINC000450392981 383393417 /nfs/dbraw/zinc/39/34/17/383393417.db2.gz PKCQUDPJRIRGLU-UHFFFAOYSA-N 1 1 257.381 2.748 20 30 CFEDMO CN(CC[N@@H+](C)CC1(C#N)CCC1)c1ccccc1 ZINC000450392981 383393420 /nfs/dbraw/zinc/39/34/20/383393420.db2.gz PKCQUDPJRIRGLU-UHFFFAOYSA-N 1 1 257.381 2.748 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000426563347 383405313 /nfs/dbraw/zinc/40/53/13/383405313.db2.gz WTYUSXIMANHBLO-HNNXBMFYSA-N 1 1 268.364 2.808 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc2c(c(OC)c1)OCO2 ZINC000426550769 383405823 /nfs/dbraw/zinc/40/58/23/383405823.db2.gz CUXMLBAIXKLRCO-ZDUSSCGKSA-N 1 1 275.348 2.964 20 30 CFEDMO COC[C@H](C)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000525875105 383408184 /nfs/dbraw/zinc/40/81/84/383408184.db2.gz UDWWONARDLDBFR-CQSZACIVSA-N 1 1 270.376 2.930 20 30 CFEDMO CCC(=O)N1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)CC1 ZINC000525949084 383410983 /nfs/dbraw/zinc/41/09/83/383410983.db2.gz RPMDDVQIKQTNFI-CQSZACIVSA-N 1 1 285.391 2.564 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000467293266 383351967 /nfs/dbraw/zinc/35/19/67/383351967.db2.gz IXLANULGFVWQAK-ZZFFKQLHSA-N 1 1 290.451 2.968 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)Nc1ncc2c(c1C#N)CCC2 ZINC000425265988 383354150 /nfs/dbraw/zinc/35/41/50/383354150.db2.gz GJOQJLIXFZSPTE-ZDUSSCGKSA-N 1 1 286.423 2.974 20 30 CFEDMO CCC[N@@H+](CC)C[C@H](C)Nc1c(C#N)cccc1[N+](=O)[O-] ZINC000425269741 383355457 /nfs/dbraw/zinc/35/54/57/383355457.db2.gz ROHZYUDLRQRTMG-LBPRGKRZSA-N 1 1 290.367 2.999 20 30 CFEDMO C#CC[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249712282 383357839 /nfs/dbraw/zinc/35/78/39/383357839.db2.gz FRFWANYECRUEQN-CHWSQXEVSA-N 1 1 270.159 2.517 20 30 CFEDMO C#CC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000249712282 383357842 /nfs/dbraw/zinc/35/78/42/383357842.db2.gz FRFWANYECRUEQN-CHWSQXEVSA-N 1 1 270.159 2.517 20 30 CFEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000249743088 383359330 /nfs/dbraw/zinc/35/93/30/383359330.db2.gz AAZSFBOEHBYRQN-HOCLYGCPSA-N 1 1 291.439 2.649 20 30 CFEDMO C=CCC[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)C(=O)OCC ZINC000449655976 383359957 /nfs/dbraw/zinc/35/99/57/383359957.db2.gz IQYCVEGCBJRDES-IHRRRGAJSA-N 1 1 251.370 2.663 20 30 CFEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](CC)C2)CCCC1 ZINC000449791673 383365845 /nfs/dbraw/zinc/36/58/45/383365845.db2.gz SIZOHEPPBYAZOC-AWEZNQCLSA-N 1 1 264.413 2.581 20 30 CFEDMO C=CCC1(C(=O)N2CCC[N@H+](CC)CC2)CCCC1 ZINC000449852242 383367595 /nfs/dbraw/zinc/36/75/95/383367595.db2.gz CZIOGUDXFJYRCG-UHFFFAOYSA-N 1 1 264.413 2.677 20 30 CFEDMO N#Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000250084265 383370066 /nfs/dbraw/zinc/37/00/66/383370066.db2.gz RWJRQPVYEFMGBV-KZNAEPCWSA-N 1 1 283.419 2.959 20 30 CFEDMO CC(C)n1cncc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000425332432 383370647 /nfs/dbraw/zinc/37/06/47/383370647.db2.gz ZDMFPFUYQBHLKY-UHFFFAOYSA-N 1 1 268.364 2.968 20 30 CFEDMO CC(C)n1cncc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000425332432 383370651 /nfs/dbraw/zinc/37/06/51/383370651.db2.gz ZDMFPFUYQBHLKY-UHFFFAOYSA-N 1 1 268.364 2.968 20 30 CFEDMO CCC(CC)[N@@H+](CC(=O)NCc1cccc(C#N)c1)C1CC1 ZINC000524557195 383374293 /nfs/dbraw/zinc/37/42/93/383374293.db2.gz SXQYHGZCFDEBPJ-UHFFFAOYSA-N 1 1 299.418 2.827 20 30 CFEDMO COc1ccc(C[N@H+](C)C2CCC(OC)CC2)cc1C#N ZINC000340193804 383377003 /nfs/dbraw/zinc/37/70/03/383377003.db2.gz ASUAEDREHKUMMZ-UHFFFAOYSA-N 1 1 288.391 2.956 20 30 CFEDMO C=C(C)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425499324 383381205 /nfs/dbraw/zinc/38/12/05/383381205.db2.gz IWLNYBKLDILQJP-DLBZAZTESA-N 1 1 256.393 2.769 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425499324 383381210 /nfs/dbraw/zinc/38/12/10/383381210.db2.gz IWLNYBKLDILQJP-DLBZAZTESA-N 1 1 256.393 2.769 20 30 CFEDMO C=C(C)C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000425499324 383381214 /nfs/dbraw/zinc/38/12/14/383381214.db2.gz IWLNYBKLDILQJP-DLBZAZTESA-N 1 1 256.393 2.769 20 30 CFEDMO C=CCC1(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCCC1 ZINC000450106535 383381956 /nfs/dbraw/zinc/38/19/56/383381956.db2.gz OJNBJGCLXNZDBL-DZGCQCFKSA-N 1 1 276.424 2.722 20 30 CFEDMO Cc1cc(C[N@H+](C)[C@@H](CO)CC(C)C)ccc1C#N ZINC000568566086 383414721 /nfs/dbraw/zinc/41/47/21/383414721.db2.gz 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/nfs/dbraw/zinc/45/52/63/383455263.db2.gz RQFHQRJCGVBHFA-UHFFFAOYSA-N 1 1 276.355 2.682 20 30 CFEDMO C=CC[N@H+](CCOC)C[C@@H]1CCc2ccccc2C1 ZINC000484561015 383456605 /nfs/dbraw/zinc/45/66/05/383456605.db2.gz VXTKUYRLTATMGD-OAHLLOKOSA-N 1 1 259.393 2.926 20 30 CFEDMO C=CCOc1ccccc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000569002714 383459820 /nfs/dbraw/zinc/45/98/20/383459820.db2.gz DQWKUFLFKKSLHV-WBVHZDCISA-N 1 1 273.376 2.862 20 30 CFEDMO CC[N@H+](Cc1occc1C)Cc1ccc(C#N)cn1 ZINC000569137301 383471354 /nfs/dbraw/zinc/47/13/54/383471354.db2.gz JQIRKGSXFNRZKA-UHFFFAOYSA-N 1 1 255.321 2.877 20 30 CFEDMO CC[N@@H+](Cc1occc1C)Cc1ccc(C#N)cn1 ZINC000569137301 383471359 /nfs/dbraw/zinc/47/13/59/383471359.db2.gz JQIRKGSXFNRZKA-UHFFFAOYSA-N 1 1 255.321 2.877 20 30 CFEDMO CC(C)[C@@H]1CN(c2c(C#N)cnc3ccccc32)CC[N@H+]1C ZINC000487096925 383476654 /nfs/dbraw/zinc/47/66/54/383476654.db2.gz GNWHMKPWDGHEHX-KRWDZBQOSA-N 1 1 294.402 2.883 20 30 CFEDMO C=CC[C@@H]1N(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CCCC1(C)C 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C=CCC1(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CCC1 ZINC000569301119 383485376 /nfs/dbraw/zinc/48/53/76/383485376.db2.gz CXCLYBRBRYJJCY-AWEZNQCLSA-N 1 1 264.413 2.579 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3ccc(C#N)cc3C(F)(F)F)C[C@@H]21 ZINC000450777475 383488138 /nfs/dbraw/zinc/48/81/38/383488138.db2.gz JPJVHHGMIZPZAY-RISCZKNCSA-N 1 1 295.308 2.717 20 30 CFEDMO COCC[N@@H+](CCCSCC#N)[C@@H]1CCC[C@H]1C ZINC000488035991 383489044 /nfs/dbraw/zinc/48/90/44/383489044.db2.gz YQFMNCBLLMSTFF-ZIAGYGMSSA-N 1 1 270.442 2.770 20 30 CFEDMO N#Cc1ccc(OCC[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000569918066 383549784 /nfs/dbraw/zinc/54/97/84/383549784.db2.gz MMCLXSGUZDYFRN-QGZVFWFLSA-N 1 1 293.370 2.822 20 30 CFEDMO CC[N@@H+](Cc1ccc(C#N)c(C)c1)C[C@@H](O)C(F)(F)F ZINC000488070641 383492815 /nfs/dbraw/zinc/49/28/15/383492815.db2.gz GQQBASWQPGGUDF-CYBMUJFWSA-N 1 1 286.297 2.612 20 30 CFEDMO CC[N@H+](Cc1ccc(C#N)c(C)c1)C[C@@H](O)C(F)(F)F ZINC000488070641 383492818 /nfs/dbraw/zinc/49/28/18/383492818.db2.gz 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287.388 2.720 20 30 CFEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000280372094 384994510 /nfs/dbraw/zinc/99/45/10/384994510.db2.gz DPRZVAJTMXWIKP-NWDGAFQWSA-N 1 1 264.394 2.745 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000270313417 385052771 /nfs/dbraw/zinc/05/27/71/385052771.db2.gz HYEQLASOZRYBEO-YOEHRIQHSA-N 1 1 299.418 2.555 20 30 CFEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(CC#N)cc1 ZINC000270325370 385056099 /nfs/dbraw/zinc/05/60/99/385056099.db2.gz ZJIOEQHEZBLHKI-HUUCEWRRSA-N 1 1 299.418 2.603 20 30 CFEDMO C=C[C@H](CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000644814737 385076024 /nfs/dbraw/zinc/07/60/24/385076024.db2.gz LTNWMUUDSICWJD-OIISXLGYSA-N 1 1 284.403 2.509 20 30 CFEDMO C#CCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000270661613 385181074 /nfs/dbraw/zinc/18/10/74/385181074.db2.gz VXJLFPCSKKBTOR-UONOGXRCSA-N 1 1 284.186 2.907 20 30 CFEDMO C=CC[N@H+](CCn1ccnc1C)Cc1ccc(OC)cc1 ZINC000270692678 385194058 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C=CC[N@H+](CCc1ccco1)Cc1ccc(OC)cn1 ZINC000272286321 385498208 /nfs/dbraw/zinc/49/82/08/385498208.db2.gz NNTIUWNQEHRKMM-UHFFFAOYSA-N 1 1 272.348 2.914 20 30 CFEDMO C=CCCn1cc(C[N@H+](C)C[C@@H](C)C(C)(C)C)nn1 ZINC000639399350 385517295 /nfs/dbraw/zinc/51/72/95/385517295.db2.gz PEBCWMVCYDBBBB-CYBMUJFWSA-N 1 1 264.417 2.968 20 30 CFEDMO C=CCC[N@H+](C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000283999519 385522149 /nfs/dbraw/zinc/52/21/49/385522149.db2.gz GQRKOJJKXCTTNF-GOSISDBHSA-N 1 1 288.435 2.785 20 30 CFEDMO C=CCCN(C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283999519 385522154 /nfs/dbraw/zinc/52/21/54/385522154.db2.gz GQRKOJJKXCTTNF-GOSISDBHSA-N 1 1 288.435 2.785 20 30 CFEDMO C=CCCN(C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283999519 385522157 /nfs/dbraw/zinc/52/21/57/385522157.db2.gz GQRKOJJKXCTTNF-GOSISDBHSA-N 1 1 288.435 2.785 20 30 CFEDMO CC(C)C[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000272382320 385524629 /nfs/dbraw/zinc/52/46/29/385524629.db2.gz WEKKLNREICJOBY-INIZCTEOSA-N 1 1 285.391 2.641 20 30 CFEDMO C=CC[N@H+](Cc1cccs1)[C@H]1CCN(C2CCC2)C1=O ZINC000639433845 385524962 /nfs/dbraw/zinc/52/49/62/385524962.db2.gz CYMLKBVALMEUNR-HNNXBMFYSA-N 1 1 290.432 2.890 20 30 CFEDMO C=CC[N@@H+](Cc1cccs1)[C@H]1CCN(C2CCC2)C1=O ZINC000639433845 385524964 /nfs/dbraw/zinc/52/49/64/385524964.db2.gz CYMLKBVALMEUNR-HNNXBMFYSA-N 1 1 290.432 2.890 20 30 CFEDMO C[C@H](O)[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000272485440 385550526 /nfs/dbraw/zinc/55/05/26/385550526.db2.gz BNTFCZZFLFILIR-JSGCOSHPSA-N 1 1 297.320 2.760 20 30 CFEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCCC[C@H]1O ZINC000272585336 385569935 /nfs/dbraw/zinc/56/99/35/385569935.db2.gz SJLMSMDXGGFXGQ-CZUORRHYSA-N 1 1 276.355 2.680 20 30 CFEDMO C[N@H+](Cc1ccccc1C#N)C[C@H]1CCCC[C@@H]1O ZINC000272594046 385572119 /nfs/dbraw/zinc/57/21/19/385572119.db2.gz UBRWQVKIYSDXGQ-CVEARBPZSA-N 1 1 258.365 2.541 20 30 CFEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286258043 385578660 /nfs/dbraw/zinc/57/86/60/385578660.db2.gz 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286.379 2.714 20 30 CFEDMO C=CCCn1cc(C[N@@H+](C)C[C@@H]2CC=CCC2)nn1 ZINC000653613141 413403131 /nfs/dbraw/zinc/40/31/31/413403131.db2.gz WZSWVVZKPKCCRA-CQSZACIVSA-N 1 1 260.385 2.642 20 30 CFEDMO C=CCCC(C)(C)NC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000663887451 413426545 /nfs/dbraw/zinc/42/65/45/413426545.db2.gz KZOCDMPSHBQIHY-ZDUSSCGKSA-N 1 1 292.427 2.872 20 30 CFEDMO N#Cc1ccc(C[NH2+][C@H](CO)c2cccc(F)c2)s1 ZINC000344337878 162016701 /nfs/dbraw/zinc/01/67/01/162016701.db2.gz FVMDPAJFWSXZDV-CQSZACIVSA-N 1 1 276.336 2.582 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)nn1 ZINC000653674447 413439896 /nfs/dbraw/zinc/43/98/96/413439896.db2.gz FCPFLPBWIKZZKT-MRXNPFEDSA-N 1 1 297.406 2.629 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H](c3ccncc3)C2)nn1 ZINC000653674447 413439907 /nfs/dbraw/zinc/43/99/07/413439907.db2.gz FCPFLPBWIKZZKT-MRXNPFEDSA-N 1 1 297.406 2.629 20 30 CFEDMO C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C#N)c(F)c1 ZINC000346221375 162356992 /nfs/dbraw/zinc/35/69/92/162356992.db2.gz VSIZTMINNIFAOV-APHBMKBZSA-N 1 1 287.382 2.975 20 30 CFEDMO C[NH+](C)Cc1cnc(CNc2cccc(C#N)c2)s1 ZINC000351566922 163148926 /nfs/dbraw/zinc/14/89/26/163148926.db2.gz HIVRTPWVLXBNFI-UHFFFAOYSA-N 1 1 272.377 2.688 20 30 CFEDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc(F)cc2C#N)C1 ZINC000351633700 163164711 /nfs/dbraw/zinc/16/47/11/163164711.db2.gz ZXXTZXXCDMXKDU-MLGOLLRUSA-N 1 1 276.355 2.680 20 30 CFEDMO CCc1ccc(C[NH2+]Cc2nc(C#N)cs2)s1 ZINC000352841715 163248986 /nfs/dbraw/zinc/24/89/86/163248986.db2.gz SEWSPQOFOSZJFY-UHFFFAOYSA-N 1 1 263.391 2.928 20 30 CFEDMO N#Cc1csc(C[NH2+]CCOc2cccc(Cl)c2)n1 ZINC000352840827 163249482 /nfs/dbraw/zinc/24/94/82/163249482.db2.gz OKRAAPJDPZQNLU-UHFFFAOYSA-N 1 1 293.779 2.837 20 30 CFEDMO CC(C)(C)C(=O)N[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000353456409 163370333 /nfs/dbraw/zinc/37/03/33/163370333.db2.gz WATSDIDCINISMW-INIZCTEOSA-N 1 1 299.418 2.685 20 30 CFEDMO CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000353456409 163370334 /nfs/dbraw/zinc/37/03/34/163370334.db2.gz WATSDIDCINISMW-INIZCTEOSA-N 1 1 299.418 2.685 20 30 CFEDMO C[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423343085 287039623 /nfs/dbraw/zinc/03/96/23/287039623.db2.gz NMKIZNVAKPYBOM-CZUORRHYSA-N 1 1 257.381 2.599 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420933819 287132017 /nfs/dbraw/zinc/13/20/17/287132017.db2.gz GIFWKJFUHOWTJH-IPYPFGDCSA-N 1 1 258.365 2.570 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284338966 196034054 /nfs/dbraw/zinc/03/40/54/196034054.db2.gz CAPBTCUGFPWWDN-SJORKVTESA-N 1 1 255.361 2.682 20 30 CFEDMO CC(C)N(CC[NH2+]Cc1cccc(C#N)c1)C(C)C ZINC000019900993 170913464 /nfs/dbraw/zinc/91/34/64/170913464.db2.gz PVAHQPZMHFAQBA-UHFFFAOYSA-N 1 1 259.397 2.767 20 30 CFEDMO C=CCOc1ccc(CNCC(C)(C)[NH+](C)C)cc1 ZINC000020125971 171009388 /nfs/dbraw/zinc/00/93/88/171009388.db2.gz KDUAFOXWXBNKKX-UHFFFAOYSA-N 1 1 262.397 2.681 20 30 CFEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc2c(c1)OCO2 ZINC000030535803 171618143 /nfs/dbraw/zinc/61/81/43/171618143.db2.gz QGPRMWSXHFFQKK-NWDGAFQWSA-N 1 1 271.320 2.509 20 30 CFEDMO CCn1cc(CC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000284924291 196158859 /nfs/dbraw/zinc/15/88/59/196158859.db2.gz HWAVOXXCMKQTBF-UHFFFAOYSA-N 1 1 294.402 2.982 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285027362 196181430 /nfs/dbraw/zinc/18/14/30/196181430.db2.gz KFZMHVDAGRWXIU-AEFFLSMTSA-N 1 1 285.387 2.842 20 30 CFEDMO C=CC[C@@H](C)NC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000660681626 413495455 /nfs/dbraw/zinc/49/54/55/413495455.db2.gz RXBJCOQDQXKVIA-ZBFHGGJFSA-N 1 1 287.407 2.525 20 30 CFEDMO C=CCCC[C@H](C)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660697224 413504633 /nfs/dbraw/zinc/50/46/33/413504633.db2.gz VSXNSTKLXFGTDG-INIZCTEOSA-N 1 1 282.472 2.804 20 30 CFEDMO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)C1 ZINC000651674467 413560718 /nfs/dbraw/zinc/56/07/18/413560718.db2.gz 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C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654314347 413810123 /nfs/dbraw/zinc/81/01/23/413810123.db2.gz IMAVTCAHLOXOQN-ZIAGYGMSSA-N 1 1 264.413 2.722 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661214269 413822711 /nfs/dbraw/zinc/82/27/11/413822711.db2.gz YPLNYFNZWLEFHA-INIZCTEOSA-N 1 1 259.393 2.759 20 30 CFEDMO C=CC[N@H+](CCOCc1ccccc1)[C@@H](C)COC ZINC000661238467 413837679 /nfs/dbraw/zinc/83/76/79/413837679.db2.gz CNOMNFRCJNKJIQ-HNNXBMFYSA-N 1 1 263.381 2.726 20 30 CFEDMO C=CCN(C[C@H]1CCCC[N@H+]1C(C)C)[C@@H](C)COC ZINC000661240654 413839829 /nfs/dbraw/zinc/83/98/29/413839829.db2.gz PPAQZGGDXZKDKU-JKSUJKDBSA-N 1 1 268.445 2.772 20 30 CFEDMO C=CC[N@H+](CCOc1ccccc1C(C)=O)[C@@H](C)COC ZINC000661245712 413846928 /nfs/dbraw/zinc/84/69/28/413846928.db2.gz DWDBUPVPHIEMSJ-AWEZNQCLSA-N 1 1 291.391 2.791 20 30 CFEDMO C=CC[N@H+](CC(=O)Nc1ccc(C)c(C)c1)[C@H](C)COC ZINC000661241901 413847828 /nfs/dbraw/zinc/84/78/28/413847828.db2.gz DMWARXATOONTQE-OAHLLOKOSA-N 1 1 290.407 2.765 20 30 CFEDMO C=CC[N@@H+](CC(=O)Nc1ccc(C)c(C)c1)[C@H](C)COC ZINC000661241901 413847833 /nfs/dbraw/zinc/84/78/33/413847833.db2.gz DMWARXATOONTQE-OAHLLOKOSA-N 1 1 290.407 2.765 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000661375312 413931775 /nfs/dbraw/zinc/93/17/75/413931775.db2.gz XDMXUAJDMMNJHA-AWEZNQCLSA-N 1 1 286.419 2.859 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCc2ccc(C(C)C)cc2C1 ZINC000661375312 413931784 /nfs/dbraw/zinc/93/17/84/413931784.db2.gz XDMXUAJDMMNJHA-AWEZNQCLSA-N 1 1 286.419 2.859 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCc2ccc(C)cc2C1 ZINC000661374892 413932635 /nfs/dbraw/zinc/93/26/35/413932635.db2.gz FPMATNFRLSGCCT-UHFFFAOYSA-N 1 1 284.403 2.554 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCc2ccc(C)cc2C1 ZINC000661374892 413932640 /nfs/dbraw/zinc/93/26/40/413932640.db2.gz FPMATNFRLSGCCT-UHFFFAOYSA-N 1 1 284.403 2.554 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000661377282 413938066 /nfs/dbraw/zinc/93/80/66/413938066.db2.gz MYGCKZZERGBYSG-HNNXBMFYSA-N 1 1 293.432 2.748 20 30 CFEDMO C=CC[C@H]1CCC[N@@H+](CCS(=O)(=O)c2ccccc2)C1 ZINC000661377282 413938075 /nfs/dbraw/zinc/93/80/75/413938075.db2.gz MYGCKZZERGBYSG-HNNXBMFYSA-N 1 1 293.432 2.748 20 30 CFEDMO C=CC[C@@H]1CCC[N@@H+](CCC(=O)NC2CCCC2)C1 ZINC000661378243 413938197 /nfs/dbraw/zinc/93/81/97/413938197.db2.gz BALHYEMBUHKJHY-CQSZACIVSA-N 1 1 264.413 2.723 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccco2)C1 ZINC000661378416 413938678 /nfs/dbraw/zinc/93/86/78/413938678.db2.gz FZORCRBSNDRDDD-AWEZNQCLSA-N 1 1 276.380 2.526 20 30 CFEDMO C=CC[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(CC)CC)C1 ZINC000661379168 413938864 /nfs/dbraw/zinc/93/88/64/413938864.db2.gz VIGMTSREFPRYCZ-KGLIPLIRSA-N 1 1 266.429 2.968 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C1 ZINC000661379358 413939279 /nfs/dbraw/zinc/93/92/79/413939279.db2.gz XHARMGVOSFEUSV-ZIAGYGMSSA-N 1 1 266.429 2.968 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](Cc2nccc(OC)c2OC)C1 ZINC000661386888 413941049 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/nfs/dbraw/zinc/24/16/52/263241652.db2.gz UCLLWWUAKRLBNZ-MRXNPFEDSA-N 1 1 291.395 2.544 20 30 CFEDMO COC(=O)c1ccc2c(c1)C[N@@H+]([C@H](C)CCC#N)CC2 ZINC000299675493 263252376 /nfs/dbraw/zinc/25/23/76/263252376.db2.gz MOIPNEJEJWZYGO-GFCCVEGCSA-N 1 1 272.348 2.524 20 30 CFEDMO C=C(C)C[N@@H+](CC)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000120102095 263281942 /nfs/dbraw/zinc/28/19/42/263281942.db2.gz KBBMWOLWZXQTNY-UHFFFAOYSA-N 1 1 291.420 2.999 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000120102095 263281943 /nfs/dbraw/zinc/28/19/43/263281943.db2.gz KBBMWOLWZXQTNY-UHFFFAOYSA-N 1 1 291.420 2.999 20 30 CFEDMO C=CCCC[N@H+](C)Cc1cnc2c(c1)c(C)nn2C ZINC000121149364 263289991 /nfs/dbraw/zinc/28/99/91/263289991.db2.gz SQZJHAIOGNEMRU-UHFFFAOYSA-N 1 1 258.369 2.675 20 30 CFEDMO C=CC[N@H+](C)C[C@@H](O)COc1ccccc1C(C)C ZINC000121263604 263290806 /nfs/dbraw/zinc/29/08/06/263290806.db2.gz XXHMJWMYZYOFHT-CQSZACIVSA-N 1 1 263.381 2.668 20 30 CFEDMO C=CC[N@@H+](C)CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1 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C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000121539109 263294142 /nfs/dbraw/zinc/29/41/42/263294142.db2.gz KNJUEHGRDLCMRG-NSHDSACASA-N 1 1 250.317 2.579 20 30 CFEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000121539109 263294144 /nfs/dbraw/zinc/29/41/44/263294144.db2.gz KNJUEHGRDLCMRG-NSHDSACASA-N 1 1 250.317 2.579 20 30 CFEDMO C=CC[N@H+](C)C[C@H](O)COc1cc(C)ccc1Cl ZINC000121497510 263294315 /nfs/dbraw/zinc/29/43/15/263294315.db2.gz SBKMKHGIAUAEII-LBPRGKRZSA-N 1 1 269.772 2.506 20 30 CFEDMO C=CC[N@H+](C)CCC(=O)Nc1ccccc1SC ZINC000121583684 263295443 /nfs/dbraw/zinc/29/54/43/263295443.db2.gz PMPNAGSKDTXMTC-UHFFFAOYSA-N 1 1 264.394 2.855 20 30 CFEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000121466473 263295682 /nfs/dbraw/zinc/29/56/82/263295682.db2.gz GMZSOJDSDDQSMA-SNVBAGLBSA-N 1 1 252.745 2.785 20 30 CFEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000121466473 263295684 /nfs/dbraw/zinc/29/56/84/263295684.db2.gz GMZSOJDSDDQSMA-SNVBAGLBSA-N 1 1 252.745 2.785 20 30 CFEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000121586888 263296370 /nfs/dbraw/zinc/29/63/70/263296370.db2.gz FMLPQFIBJJDQMQ-SNVBAGLBSA-N 1 1 284.306 2.733 20 30 CFEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000121586888 263296371 /nfs/dbraw/zinc/29/63/71/263296371.db2.gz FMLPQFIBJJDQMQ-SNVBAGLBSA-N 1 1 284.306 2.733 20 30 CFEDMO C=CCCC[C@@H](C)[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000340869637 263310360 /nfs/dbraw/zinc/31/03/60/263310360.db2.gz LHBISQQRLOFCOG-NEPJUHHUSA-N 1 1 267.373 2.954 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000340869637 263310362 /nfs/dbraw/zinc/31/03/62/263310362.db2.gz LHBISQQRLOFCOG-NEPJUHHUSA-N 1 1 267.373 2.954 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](C(=O)NCCC)C1 ZINC000340942982 263313620 /nfs/dbraw/zinc/31/36/20/263313620.db2.gz SEOXKTJPBQYNBZ-HUUCEWRRSA-N 1 1 266.429 2.969 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000341217398 263326786 /nfs/dbraw/zinc/32/67/86/263326786.db2.gz NLCMNROSGNIYKA-HUUCEWRRSA-N 1 1 281.444 2.905 20 30 CFEDMO COc1cccc([C@H](C)[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000341217074 263327033 /nfs/dbraw/zinc/32/70/33/263327033.db2.gz IRFLBLJVVIOSNF-STQMWFEESA-N 1 1 257.337 2.789 20 30 CFEDMO C=CCOc1ccccc1C[N@H+]1CCOCC2(CC2)C1 ZINC000341521455 263341866 /nfs/dbraw/zinc/34/18/66/263341866.db2.gz BZHGLPCIYGPQSB-UHFFFAOYSA-N 1 1 273.376 2.864 20 30 CFEDMO C=CC[N@H+](CCn1cc(C)cn1)Cc1ccc(OC)cc1 ZINC000341835701 263353348 /nfs/dbraw/zinc/35/33/48/263353348.db2.gz ONQQHTZZLWBTAR-UHFFFAOYSA-N 1 1 285.391 2.888 20 30 CFEDMO N#CCc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000341968296 263371955 /nfs/dbraw/zinc/37/19/55/263371955.db2.gz ATIDFYZEOXDZQA-KRWDZBQOSA-N 1 1 270.376 2.755 20 30 CFEDMO COCC1(C#N)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000341971703 263372708 /nfs/dbraw/zinc/37/27/08/263372708.db2.gz DUTVBOJSRHCUKQ-UHFFFAOYSA-N 1 1 262.328 2.578 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000342009816 263377216 /nfs/dbraw/zinc/37/72/16/263377216.db2.gz BVIFGNKPFCRAIQ-MJBXVCDLSA-N 1 1 252.402 2.530 20 30 CFEDMO C=C1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000341991230 263382020 /nfs/dbraw/zinc/38/20/20/263382020.db2.gz GLFQSHGXJOLYJJ-HZPDHXFCSA-N 1 1 276.424 2.820 20 30 CFEDMO C=C(C)C(C)(C)C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000424847453 263820630 /nfs/dbraw/zinc/82/06/30/263820630.db2.gz NIWTXAHCSPMIOU-QLFBSQMISA-N 1 1 278.440 2.777 20 30 CFEDMO C[C@H]1CC[C@H](C(N)=O)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000330391495 263926358 /nfs/dbraw/zinc/92/63/58/263926358.db2.gz PDVNVUYKPQXYTP-KBPBESRZSA-N 1 1 293.411 2.723 20 30 CFEDMO Cc1ccoc1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000330442594 263952470 /nfs/dbraw/zinc/95/24/70/263952470.db2.gz VTDOHAHOTGASBN-LBPRGKRZSA-N 1 1 293.367 2.530 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000330678613 264002558 /nfs/dbraw/zinc/00/25/58/264002558.db2.gz WQKSOLZZYWHZLY-NSHDSACASA-N 1 1 297.380 2.835 20 30 CFEDMO C#Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000934935434 649857987 /nfs/dbraw/zinc/85/79/87/649857987.db2.gz FKLFHKHOIBFZGW-XJKSGUPXSA-N 1 1 285.391 2.614 20 30 CFEDMO CCCCn1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1 ZINC000331026413 264099732 /nfs/dbraw/zinc/09/97/32/264099732.db2.gz PDQYBQLDWZCCMI-GXTWGEPZSA-N 1 1 292.427 2.779 20 30 CFEDMO CC[C@H](C)n1ncc(C(=O)NC[C@H]2CCC[N@H+]2CC)c1C ZINC000331064484 264111715 /nfs/dbraw/zinc/11/17/15/264111715.db2.gz FAPFGCINEHYPLV-GXTWGEPZSA-N 1 1 292.427 2.951 20 30 CFEDMO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000331349890 264206390 /nfs/dbraw/zinc/20/63/90/264206390.db2.gz NOUOVTHDVOJJGX-LJIGWXMPSA-N 1 1 299.418 2.843 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000127224949 264248421 /nfs/dbraw/zinc/24/84/21/264248421.db2.gz RSXXUMQOFYMSQY-CYBMUJFWSA-N 1 1 270.376 2.853 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCc2c3ccccc3[nH]c2C1 ZINC000127224949 264248422 /nfs/dbraw/zinc/24/84/22/264248422.db2.gz RSXXUMQOFYMSQY-CYBMUJFWSA-N 1 1 270.376 2.853 20 30 CFEDMO C=CC[C@@H](C(=O)NCC[N@H+](C)C(C)C)c1ccccc1 ZINC000189508848 264303348 /nfs/dbraw/zinc/30/33/48/264303348.db2.gz FQBSUXRIRFQZIA-MRXNPFEDSA-N 1 1 274.408 2.803 20 30 CFEDMO COC(=O)[C@@H](CC[N@H+](C)[C@H](C)CC#N)c1ccccc1 ZINC000425425815 264314076 /nfs/dbraw/zinc/31/40/76/264314076.db2.gz RICPEXCVGNSUCT-HIFRSBDPSA-N 1 1 274.364 2.567 20 30 CFEDMO COC(=O)[C@@H](CC[N@@H+](C)[C@H](C)CC#N)c1ccccc1 ZINC000425425815 264314077 /nfs/dbraw/zinc/31/40/77/264314077.db2.gz RICPEXCVGNSUCT-HIFRSBDPSA-N 1 1 274.364 2.567 20 30 CFEDMO CC[C@]1(C)CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000075999417 264335401 /nfs/dbraw/zinc/33/54/01/264335401.db2.gz ADLKCRDSEANRDU-CVEARBPZSA-N 1 1 279.428 2.553 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)Nc1cc(F)ccc1F ZINC000076736262 264342897 /nfs/dbraw/zinc/34/28/97/264342897.db2.gz LFPAIRCKUDMOTE-UHFFFAOYSA-N 1 1 268.307 2.801 20 30 CFEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000076736217 264343023 /nfs/dbraw/zinc/34/30/23/264343023.db2.gz OKQXCMDKXWQKFI-LBPRGKRZSA-N 1 1 291.351 2.820 20 30 CFEDMO CC(C)[C@H]1CN(C)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000425486012 264353744 /nfs/dbraw/zinc/35/37/44/264353744.db2.gz UHVAVHIVSXYAHU-QGZVFWFLSA-N 1 1 271.408 2.525 20 30 CFEDMO CC(C)[C@H]1C[N@H+](C)CCN1Cc1ccc(CC#N)cc1 ZINC000425486012 264353746 /nfs/dbraw/zinc/35/37/46/264353746.db2.gz UHVAVHIVSXYAHU-QGZVFWFLSA-N 1 1 271.408 2.525 20 30 CFEDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc(CC#N)cc1 ZINC000425486012 264353748 /nfs/dbraw/zinc/35/37/48/264353748.db2.gz UHVAVHIVSXYAHU-QGZVFWFLSA-N 1 1 271.408 2.525 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000132663995 264392967 /nfs/dbraw/zinc/39/29/67/264392967.db2.gz YFWBHOMWYYVYJJ-ZIAGYGMSSA-N 1 1 252.402 2.579 20 30 CFEDMO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1nnc2ccccn21 ZINC000093492215 265181119 /nfs/dbraw/zinc/18/11/19/265181119.db2.gz LWYJTGOFEHDLHA-JTQLQIEISA-N 1 1 283.360 2.513 20 30 CFEDMO CC(C)[C@H](CNCc1cc(C#N)cs1)[NH+]1CCCC1 ZINC000093492306 265183771 /nfs/dbraw/zinc/18/37/71/265183771.db2.gz SLRNVVRWBYQAMB-HNNXBMFYSA-N 1 1 277.437 2.830 20 30 CFEDMO CC(C)C[C@H](CNCc1cc(C#N)cs1)[NH+](C)C ZINC000093492301 265184183 /nfs/dbraw/zinc/18/41/83/265184183.db2.gz UGPVREBFNSHRLE-CYBMUJFWSA-N 1 1 265.426 2.686 20 30 CFEDMO CCCC(N)=[NH+]OCc1cc(C#N)ccc1Br ZINC000191684479 266008612 /nfs/dbraw/zinc/00/86/12/266008612.db2.gz CRMWSCPMNQRRGI-UHFFFAOYSA-N 1 1 296.168 2.910 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000353261057 266037000 /nfs/dbraw/zinc/03/70/00/266037000.db2.gz PXINXUHZARZLQL-CQSZACIVSA-N 1 1 259.349 2.562 20 30 CFEDMO CCC[N@@H+](CCOCCC#N)Cc1ccc(C#N)cc1 ZINC000293544916 266046704 /nfs/dbraw/zinc/04/67/04/266046704.db2.gz QRQOHWVQMAEWDP-UHFFFAOYSA-N 1 1 271.364 2.701 20 30 CFEDMO CC[N@@H+](Cc1cnn(C)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000195084780 266138427 /nfs/dbraw/zinc/13/84/27/266138427.db2.gz XKYMKEVRYAVDPA-ZDUSSCGKSA-N 1 1 268.364 2.875 20 30 CFEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000356650048 266154559 /nfs/dbraw/zinc/15/45/59/266154559.db2.gz HLKJQLICOOOQBW-INMHGKMJSA-N 1 1 299.418 2.625 20 30 CFEDMO C=CCCC1(C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000356822972 266180589 /nfs/dbraw/zinc/18/05/89/266180589.db2.gz PHSQVADGROBMIZ-UHFFFAOYSA-N 1 1 262.397 2.501 20 30 CFEDMO CCCCC[C@@H]1CCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000356986635 266225450 /nfs/dbraw/zinc/22/54/50/266225450.db2.gz PDHAXDXPRZCECW-OAHLLOKOSA-N 1 1 279.428 2.793 20 30 CFEDMO C[N@@H+](CC#Cc1ccccc1Cl)CCc1cnccn1 ZINC000357037657 266237265 /nfs/dbraw/zinc/23/72/65/266237265.db2.gz LYDUXTDKUZHARW-UHFFFAOYSA-N 1 1 285.778 2.656 20 30 CFEDMO C[N@H+](CC#Cc1ccccc1Cl)CCc1cnccn1 ZINC000357037657 266237267 /nfs/dbraw/zinc/23/72/67/266237267.db2.gz LYDUXTDKUZHARW-UHFFFAOYSA-N 1 1 285.778 2.656 20 30 CFEDMO CCOC[C@@H]1CCCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000313478163 266283304 /nfs/dbraw/zinc/28/33/04/266283304.db2.gz CHHKCOKOOHGXAY-INIZCTEOSA-N 1 1 288.391 2.828 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](C)CC1 ZINC000357395344 266289568 /nfs/dbraw/zinc/28/95/68/266289568.db2.gz YDKMVSWJDWKZRM-GJZGRUSLSA-N 1 1 266.429 2.922 20 30 CFEDMO C=CC[N@H+](C[C@H](O)COc1c(C)cccc1C)C1CC1 ZINC000357550480 266320182 /nfs/dbraw/zinc/32/01/82/266320182.db2.gz FFJIEMNQSCCYAD-INIZCTEOSA-N 1 1 275.392 2.694 20 30 CFEDMO C=C[C@H](CO)Nc1cc(C)[nH+]c2c(OC)cccc12 ZINC000357589148 266331960 /nfs/dbraw/zinc/33/19/60/266331960.db2.gz BQDQWKBPGRJOEL-LLVKDONJSA-N 1 1 258.321 2.511 20 30 CFEDMO Cc1ccc(C)c(C[N@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000357963146 266389898 /nfs/dbraw/zinc/38/98/98/266389898.db2.gz HDMDUPNBNDCTMT-SFHVURJKSA-N 1 1 299.418 2.544 20 30 CFEDMO Cc1ccc(C)c(C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000357963146 266389901 /nfs/dbraw/zinc/38/99/01/266389901.db2.gz HDMDUPNBNDCTMT-SFHVURJKSA-N 1 1 299.418 2.544 20 30 CFEDMO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCn1ccnc1 ZINC000362727376 267039686 /nfs/dbraw/zinc/03/96/86/267039686.db2.gz RRUQNGDNKZXOPB-DLBZAZTESA-N 1 1 280.375 2.655 20 30 CFEDMO C=CCSc1ccccc1C(=O)N1CC[N@@H+](C)C[C@H]1C ZINC000362952728 267065728 /nfs/dbraw/zinc/06/57/28/267065728.db2.gz UWBOZXWPGGZVSU-CYBMUJFWSA-N 1 1 290.432 2.741 20 30 CFEDMO C=CCSc1ccccc1C(=O)N1CC[N@H+](C)C[C@H]1C ZINC000362952728 267065731 /nfs/dbraw/zinc/06/57/31/267065731.db2.gz UWBOZXWPGGZVSU-CYBMUJFWSA-N 1 1 290.432 2.741 20 30 CFEDMO C=CC[N@@H+](CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000363125449 267075301 /nfs/dbraw/zinc/07/53/01/267075301.db2.gz OUCSBNVHKSSYNZ-UHFFFAOYSA-N 1 1 268.320 2.616 20 30 CFEDMO C=CC[N@H+](CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000363125449 267075302 /nfs/dbraw/zinc/07/53/02/267075302.db2.gz OUCSBNVHKSSYNZ-UHFFFAOYSA-N 1 1 268.320 2.616 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000363148019 267076835 /nfs/dbraw/zinc/07/68/35/267076835.db2.gz DSNLJCVRJBIJAB-SJORKVTESA-N 1 1 288.435 2.655 20 30 CFEDMO COCCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000363285788 267084648 /nfs/dbraw/zinc/08/46/48/267084648.db2.gz SQMHBJWGFQYIDO-HOTGVXAUSA-N 1 1 258.365 2.795 20 30 CFEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000399666128 267103063 /nfs/dbraw/zinc/10/30/63/267103063.db2.gz MVXHMQTUSBJTAW-HZSPNIEDSA-N 1 1 285.391 2.863 20 30 CFEDMO CC#CCC[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000368484963 267176308 /nfs/dbraw/zinc/17/63/08/267176308.db2.gz DCCHAANUWAIKPA-HNNXBMFYSA-N 1 1 276.424 2.561 20 30 CFEDMO C=CC[C@H](C)NC(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000116959285 267195154 /nfs/dbraw/zinc/19/51/54/267195154.db2.gz UHTTXFYRBSICLV-KBPBESRZSA-N 1 1 267.417 2.515 20 30 CFEDMO C=CCC(CC=C)C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000368707878 267198360 /nfs/dbraw/zinc/19/83/60/267198360.db2.gz PYPNDMJYLYKZLO-UHFFFAOYSA-N 1 1 276.424 2.842 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCOCC2(CCC2)C1 ZINC000368848672 267209423 /nfs/dbraw/zinc/20/94/23/267209423.db2.gz YTCFOMXNMZLWGA-UHFFFAOYSA-N 1 1 250.386 2.819 20 30 CFEDMO C#CCCCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000368904480 267211379 /nfs/dbraw/zinc/21/13/79/267211379.db2.gz KKCKYRRGJHHBMV-KRWDZBQOSA-N 1 1 284.403 2.523 20 30 CFEDMO N#CCCC[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000368911871 267212836 /nfs/dbraw/zinc/21/28/36/267212836.db2.gz QNHMAVGZGDCDQQ-CVEARBPZSA-N 1 1 258.365 2.878 20 30 CFEDMO CC(C)c1nccn1[C@@H]1CCC[N@@H+](CCCC#N)C1 ZINC000369032595 267218162 /nfs/dbraw/zinc/21/81/62/267218162.db2.gz NABYOBOSKDIRGP-CQSZACIVSA-N 1 1 260.385 2.947 20 30 CFEDMO C#CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000369517943 267247496 /nfs/dbraw/zinc/24/74/96/267247496.db2.gz IKLBYVFMXOCRIS-BTTYYORXSA-N 1 1 278.396 2.530 20 30 CFEDMO C[C@H]1[C@@H](C)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C[C@H]1C ZINC000399666130 267248962 /nfs/dbraw/zinc/24/89/62/267248962.db2.gz MVXHMQTUSBJTAW-MGPQQGTHSA-N 1 1 285.391 2.863 20 30 CFEDMO CCCCCCCC[NH+]1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000369593896 267252404 /nfs/dbraw/zinc/25/24/04/267252404.db2.gz XCHJXQAYVUUXIC-SJORKVTESA-N 1 1 282.472 2.878 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369878579 267272966 /nfs/dbraw/zinc/27/29/66/267272966.db2.gz SCAUJNPTZXNTPF-KRWDZBQOSA-N 1 1 294.439 2.976 20 30 CFEDMO C#CCCCC(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000370621640 267332684 /nfs/dbraw/zinc/33/26/84/267332684.db2.gz GPVLLWXOZRMHDT-LJQANCHMSA-N 1 1 298.430 2.818 20 30 CFEDMO C#CCCN(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000371197348 267363981 /nfs/dbraw/zinc/36/39/81/267363981.db2.gz WFODGPTZDOVMFD-UHFFFAOYSA-N 1 1 262.441 2.985 20 30 CFEDMO CC(C)N(C)c1ccc(C[NH2+]CC2(C#N)CCC2)cn1 ZINC000418145310 267366824 /nfs/dbraw/zinc/36/68/24/267366824.db2.gz XHHWOQFHMHDKJT-UHFFFAOYSA-N 1 1 272.396 2.710 20 30 CFEDMO N#CCCCCN1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371209308 267371826 /nfs/dbraw/zinc/37/18/26/267371826.db2.gz UAGMBFQKDUWTOW-INIZCTEOSA-N 1 1 263.429 2.878 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000371208640 267372528 /nfs/dbraw/zinc/37/25/28/267372528.db2.gz PSRVZNYQHZQBOD-AWEZNQCLSA-N 1 1 260.385 2.677 20 30 CFEDMO C=CC[N@H+](CC)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000371225997 267374674 /nfs/dbraw/zinc/37/46/74/267374674.db2.gz PHFAGNVGFDADRX-LBPRGKRZSA-N 1 1 278.421 2.529 20 30 CFEDMO C[N@@H+](CCCC(C)(C)C#N)C[C@H]1CCCC[C@H]1O ZINC000305828504 268005947 /nfs/dbraw/zinc/00/59/47/268005947.db2.gz UFVZOZBDWKIPDF-ZIAGYGMSSA-N 1 1 252.402 2.799 20 30 CFEDMO C=CCNC(=O)[C@@H]1CC[N@@H+](C[C@@H]2CCCc3ccccc32)C1 ZINC000376837614 268022237 /nfs/dbraw/zinc/02/22/37/268022237.db2.gz WZINSHVZBQXISX-DLBZAZTESA-N 1 1 298.430 2.731 20 30 CFEDMO Cc1ccc(NC[C@H]2CC[N@H+]2C2CCCCC2)nc1C#N ZINC000528114698 268026139 /nfs/dbraw/zinc/02/61/39/268026139.db2.gz AZHDCYVMTTXXSN-OAHLLOKOSA-N 1 1 284.407 2.503 20 30 CFEDMO CC(C)(CCC#N)CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000377164102 268052494 /nfs/dbraw/zinc/05/24/94/268052494.db2.gz VEXHWGWHBNOJJL-INIZCTEOSA-N 1 1 299.418 2.707 20 30 CFEDMO CC(C)(CCC#N)CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000377164102 268052496 /nfs/dbraw/zinc/05/24/96/268052496.db2.gz VEXHWGWHBNOJJL-INIZCTEOSA-N 1 1 299.418 2.707 20 30 CFEDMO N#Cc1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527810111 268233254 /nfs/dbraw/zinc/23/32/54/268233254.db2.gz UVSLTZIKRNZWOQ-KRWDZBQOSA-N 1 1 269.392 2.665 20 30 CFEDMO N#Cc1ccc(CNC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527810111 268233256 /nfs/dbraw/zinc/23/32/56/268233256.db2.gz UVSLTZIKRNZWOQ-KRWDZBQOSA-N 1 1 269.392 2.665 20 30 CFEDMO N#Cc1cccc(-c2nnc(Cn3cc[nH+]c3C3CC3)o2)c1 ZINC000530129284 268264247 /nfs/dbraw/zinc/26/42/47/268264247.db2.gz KAEBMXQYKKLTBH-UHFFFAOYSA-N 1 1 291.314 2.730 20 30 CFEDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)[nH]1 ZINC000488215611 270342796 /nfs/dbraw/zinc/34/27/96/270342796.db2.gz LGDLPDOCVPLSDU-MRXNPFEDSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(C#N)c(C)c3)C2)n1 ZINC000488215611 270342799 /nfs/dbraw/zinc/34/27/99/270342799.db2.gz LGDLPDOCVPLSDU-MRXNPFEDSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)n1 ZINC000488215611 270342802 /nfs/dbraw/zinc/34/28/02/270342802.db2.gz LGDLPDOCVPLSDU-MRXNPFEDSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(C#N)c(C)c3)C2)n[nH]1 ZINC000488215611 270342803 /nfs/dbraw/zinc/34/28/03/270342803.db2.gz LGDLPDOCVPLSDU-MRXNPFEDSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)n[nH]1 ZINC000488215611 270342806 /nfs/dbraw/zinc/34/28/06/270342806.db2.gz LGDLPDOCVPLSDU-MRXNPFEDSA-N 1 1 295.390 2.673 20 30 CFEDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000334270664 274898585 /nfs/dbraw/zinc/89/85/85/274898585.db2.gz SQTNFROVUJBBSS-LBPRGKRZSA-N 1 1 286.766 2.939 20 30 CFEDMO N#Cc1cc(F)ccc1CN1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336040244 274919648 /nfs/dbraw/zinc/91/96/48/274919648.db2.gz ULWXSTDMTKHPRB-UHFFFAOYSA-N 1 1 284.338 2.800 20 30 CFEDMO O[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000293027744 275058596 /nfs/dbraw/zinc/05/85/96/275058596.db2.gz FZNIDWYUIQPIAC-HNNXBMFYSA-N 1 1 263.768 2.538 20 30 CFEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000266969502 275381176 /nfs/dbraw/zinc/38/11/76/275381176.db2.gz ZIKHFGQROHNTSC-AWEZNQCLSA-N 1 1 258.365 2.586 20 30 CFEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000266969502 275381177 /nfs/dbraw/zinc/38/11/77/275381177.db2.gz ZIKHFGQROHNTSC-AWEZNQCLSA-N 1 1 258.365 2.586 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000294200177 275387750 /nfs/dbraw/zinc/38/77/50/275387750.db2.gz XRZIZVAJUAIWSJ-QZTJIDSGSA-N 1 1 267.372 2.811 20 30 CFEDMO C#Cc1ccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000294200177 275387751 /nfs/dbraw/zinc/38/77/51/275387751.db2.gz XRZIZVAJUAIWSJ-QZTJIDSGSA-N 1 1 267.372 2.811 20 30 CFEDMO CCCN1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000442874286 276004636 /nfs/dbraw/zinc/00/46/36/276004636.db2.gz MNAXXJQDEUKMHD-UHFFFAOYSA-N 1 1 263.429 2.780 20 30 CFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC#Cc1ccc(F)cc1 ZINC000156668409 276233720 /nfs/dbraw/zinc/23/37/20/276233720.db2.gz HBSATHRLZGXIHY-MSOLQXFVSA-N 1 1 286.394 2.736 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(c2ncc(Cl)c(C)c2C#N)C[C@H]1C ZINC000343482329 276251305 /nfs/dbraw/zinc/25/13/05/276251305.db2.gz WDVYOFBWVHBZPJ-MNOVXSKESA-N 1 1 292.814 2.834 20 30 CFEDMO CCc1[nH+]ccn1[C@@H]1CCCN(c2ncccc2C#N)C1 ZINC000105795599 276698018 /nfs/dbraw/zinc/69/80/18/276698018.db2.gz DCXNNEAWSUBKGE-CQSZACIVSA-N 1 1 281.363 2.554 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C ZINC000328614085 277042918 /nfs/dbraw/zinc/04/29/18/277042918.db2.gz VGANXMRHTUCOQL-MCIONIFRSA-N 1 1 282.428 2.878 20 30 CFEDMO CC(C)(C)C[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000452079933 277147852 /nfs/dbraw/zinc/14/78/52/277147852.db2.gz OELIHXJYZRQNPZ-GOEBONIOSA-N 1 1 299.418 2.843 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCOC2(CCCCC2)C1 ZINC000336553472 278257414 /nfs/dbraw/zinc/25/74/14/278257414.db2.gz HMRAUWRYUHUYFJ-UHFFFAOYSA-N 1 1 250.386 2.961 20 30 CFEDMO C[C@@H](CO)[N@@H+](Cc1ccc(C#N)cc1)C1CCCC1 ZINC000276510621 278288947 /nfs/dbraw/zinc/28/89/47/278288947.db2.gz ZMJUMHHYMSFBGQ-ZDUSSCGKSA-N 1 1 258.365 2.684 20 30 CFEDMO C[C@@H]([N@@H+](C)CC#Cc1cccc(Cl)c1)C(C)(C)O ZINC000295150202 278303072 /nfs/dbraw/zinc/30/30/72/278303072.db2.gz LYNRNIMDMFPDJC-GFCCVEGCSA-N 1 1 265.784 2.783 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275544021 278306309 /nfs/dbraw/zinc/30/63/09/278306309.db2.gz ZJTZFEZKDIGLQI-IUODEOHRSA-N 1 1 258.365 2.712 20 30 CFEDMO Cc1cc(NC(=O)C2(O)CCCC2)cn2cc[nH+]c12 ZINC000329372203 278719690 /nfs/dbraw/zinc/71/96/90/278719690.db2.gz JIMALQZRROOQLK-UHFFFAOYSA-N 1 1 259.309 2.536 20 30 CFEDMO CC[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1ccc(C#N)cc1 ZINC000423359085 288072900 /nfs/dbraw/zinc/07/29/00/288072900.db2.gz KCHYFGCLKOBVCV-UHOFOFEASA-N 1 1 257.381 2.597 20 30 CFEDMO C[C@@H]1Oc2c(cccc2F)[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000364583661 279058591 /nfs/dbraw/zinc/05/85/91/279058591.db2.gz ULDNVWHLHUDVES-ZUZCIYMTSA-N 1 1 285.322 2.648 20 30 CFEDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000360615034 279382159 /nfs/dbraw/zinc/38/21/59/279382159.db2.gz AISNBBRTQJVLQA-KBPBESRZSA-N 1 1 287.407 2.507 20 30 CFEDMO Cc1c(Cl)cnc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1C#N ZINC000273353963 280233663 /nfs/dbraw/zinc/23/36/63/280233663.db2.gz PODOQSBFWVDAAR-IINYFYTJSA-N 1 1 292.814 2.692 20 30 CFEDMO Cc1cc(C#N)cc(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000455959835 280315013 /nfs/dbraw/zinc/31/50/13/280315013.db2.gz VOBRFJCQDDUASQ-CYBMUJFWSA-N 1 1 288.395 2.717 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc2c(c1)OCO2 ZINC000135142231 280767005 /nfs/dbraw/zinc/76/70/05/280767005.db2.gz JCXCDDUFAHHRMD-JTQLQIEISA-N 1 1 270.288 2.731 20 30 CFEDMO CO[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1C ZINC000251652510 281073473 /nfs/dbraw/zinc/07/34/73/281073473.db2.gz HPJAEMGGTGFPQH-XHDPSFHLSA-N 1 1 262.328 2.554 20 30 CFEDMO CO[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1C ZINC000251652510 281073476 /nfs/dbraw/zinc/07/34/76/281073476.db2.gz HPJAEMGGTGFPQH-XHDPSFHLSA-N 1 1 262.328 2.554 20 30 CFEDMO N#Cc1cccc(CC[NH2+]C2CCN(CC3CC3)CC2)c1 ZINC000562296899 282073149 /nfs/dbraw/zinc/07/31/49/282073149.db2.gz VNCNUSNKTRSKHD-UHFFFAOYSA-N 1 1 283.419 2.565 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cc2n(n1)CCC2 ZINC000563872391 290180172 /nfs/dbraw/zinc/18/01/72/290180172.db2.gz KBOFRAAMSAGRAZ-NSHDSACASA-N 1 1 284.338 2.691 20 30 CFEDMO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000564697995 290224247 /nfs/dbraw/zinc/22/42/47/290224247.db2.gz FOCMTARIMKGRFT-QGZVFWFLSA-N 1 1 296.370 2.699 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000442689221 290246675 /nfs/dbraw/zinc/24/66/75/290246675.db2.gz SAPYSCDJAQGZOC-COXVUDFISA-N 1 1 270.376 2.978 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)[C@@H]2CCCC[C@H]21 ZINC000565155428 290272767 /nfs/dbraw/zinc/27/27/67/290272767.db2.gz DZNLOCNUNFBWLD-UHOFOFEASA-N 1 1 255.365 2.964 20 30 CFEDMO C[C@@H](CO)[N@@H+](Cc1ccc(C#N)s1)C1CCCC1 ZINC000565548118 290309049 /nfs/dbraw/zinc/30/90/49/290309049.db2.gz FWKKNTDPNPCWGQ-NSHDSACASA-N 1 1 264.394 2.745 20 30 CFEDMO Cc1ccnc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1C#N ZINC000292153090 302272443 /nfs/dbraw/zinc/27/24/43/302272443.db2.gz CLKYLOGUPKTPDN-CYBMUJFWSA-N 1 1 284.407 2.572 20 30 CFEDMO Cc1ccnc(N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1C#N ZINC000273037742 302272523 /nfs/dbraw/zinc/27/25/23/302272523.db2.gz OFARVNGEERVJMP-QGZVFWFLSA-N 1 1 292.386 2.755 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1occc1C ZINC001085484743 782076931 /nfs/dbraw/zinc/07/69/31/782076931.db2.gz KJOIXGFDFMLHCI-AWEZNQCLSA-N 1 1 276.380 2.701 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001085488479 782078807 /nfs/dbraw/zinc/07/88/07/782078807.db2.gz ZUGCSYIOYXUWFV-LLVKDONJSA-N 1 1 282.771 2.655 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001085488479 782078816 /nfs/dbraw/zinc/07/88/16/782078816.db2.gz ZUGCSYIOYXUWFV-LLVKDONJSA-N 1 1 282.771 2.655 20 30 CFEDMO C=CCC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC000563408879 328064101 /nfs/dbraw/zinc/06/41/01/328064101.db2.gz UTVYDXRYSAUQCH-CQSZACIVSA-N 1 1 264.413 2.723 20 30 CFEDMO C=CC[N@@H+](CCOC[C@@H]1CCCO1)CCc1ccccc1 ZINC000152199062 328079397 /nfs/dbraw/zinc/07/93/97/328079397.db2.gz HMCZOVLSSNCCCO-SFHVURJKSA-N 1 1 289.419 2.913 20 30 CFEDMO C[C@@H]1c2ccsc2CC[N@@H+]1CCOCCC#N ZINC000293381882 328095237 /nfs/dbraw/zinc/09/52/37/328095237.db2.gz GGQCCMSEYSXYFG-LLVKDONJSA-N 1 1 250.367 2.597 20 30 CFEDMO C=C(CC)CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571299073 328100429 /nfs/dbraw/zinc/10/04/29/328100429.db2.gz WCBATTBCOMSERF-INIZCTEOSA-N 1 1 272.392 2.591 20 30 CFEDMO CC[C@H](C)[N@@H+](CCO)CCC1(C#N)CCCCC1 ZINC000411747197 328098799 /nfs/dbraw/zinc/09/87/99/328098799.db2.gz XRXGLAJMNOLPRX-AWEZNQCLSA-N 1 1 252.402 2.943 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412316385 328108529 /nfs/dbraw/zinc/10/85/29/328108529.db2.gz MUWHDIGRIAENHR-QGZVFWFLSA-N 1 1 278.440 2.923 20 30 CFEDMO C=CCC[C@H](NC[C@@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000571341095 328112674 /nfs/dbraw/zinc/11/26/74/328112674.db2.gz ZQXQJPUUODCWAD-SJORKVTESA-N 1 1 276.424 2.596 20 30 CFEDMO C=CCC[C@H](NC[C@@H](O)C[N@H+](C)CC)c1ccccc1 ZINC000571341095 328112675 /nfs/dbraw/zinc/11/26/75/328112675.db2.gz ZQXQJPUUODCWAD-SJORKVTESA-N 1 1 276.424 2.596 20 30 CFEDMO C=CCC[C@H]([NH2+]C[C@@H](O)CN(C)CC)c1ccccc1 ZINC000571341095 328112676 /nfs/dbraw/zinc/11/26/76/328112676.db2.gz ZQXQJPUUODCWAD-SJORKVTESA-N 1 1 276.424 2.596 20 30 CFEDMO CC1CCN(CC[NH+]2CCC(CCC#N)CC2)CC1 ZINC000571438617 328122046 /nfs/dbraw/zinc/12/20/46/328122046.db2.gz WRVYDQIOZLDEGB-UHFFFAOYSA-N 1 1 263.429 2.734 20 30 CFEDMO CN(C)c1ncc(C[NH2+][C@H](CCC#N)c2ccccc2)n1C ZINC000414358206 328155096 /nfs/dbraw/zinc/15/50/96/328155096.db2.gz GCQAOJLJWULPLJ-MRXNPFEDSA-N 1 1 297.406 2.621 20 30 CFEDMO Cc1cc(C)n(CC[N@H+](CCC#N)CC(C)(C)C)n1 ZINC000264607999 328160843 /nfs/dbraw/zinc/16/08/43/328160843.db2.gz IKEXABBFCQRUQU-UHFFFAOYSA-N 1 1 262.401 2.762 20 30 CFEDMO Cc1cc(C)n(CC[N@@H+](CCC#N)CC(C)(C)C)n1 ZINC000264607999 328160844 /nfs/dbraw/zinc/16/08/44/328160844.db2.gz IKEXABBFCQRUQU-UHFFFAOYSA-N 1 1 262.401 2.762 20 30 CFEDMO C[C@@H](O)CC[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000268988351 328188293 /nfs/dbraw/zinc/18/82/93/328188293.db2.gz RDWDDNMFSNSOSG-CYBMUJFWSA-N 1 1 260.381 2.690 20 30 CFEDMO CC(=O)N1CC[N@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000269013276 328188628 /nfs/dbraw/zinc/18/86/28/328188628.db2.gz WACPRLDEXUIBRO-CQSZACIVSA-N 1 1 299.418 2.540 20 30 CFEDMO CC(=O)N1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@H](C)C1 ZINC000269013276 328188629 /nfs/dbraw/zinc/18/86/29/328188629.db2.gz WACPRLDEXUIBRO-CQSZACIVSA-N 1 1 299.418 2.540 20 30 CFEDMO CO[C@H]1C[C@H]([N@@H+](C)CCCSCC#N)C12CCC2 ZINC000451855075 328194455 /nfs/dbraw/zinc/19/44/55/328194455.db2.gz RPZTYQXNLASNKW-STQMWFEESA-N 1 1 268.426 2.523 20 30 CFEDMO Cc1ccccc1[C@@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000271504827 328196526 /nfs/dbraw/zinc/19/65/26/328196526.db2.gz HCONXCTVJPZYEA-MRXNPFEDSA-N 1 1 299.418 2.547 20 30 CFEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCCCC#N)cc1 ZINC000272966840 328202195 /nfs/dbraw/zinc/20/21/95/328202195.db2.gz AVYNZLRAXJVEGM-UHFFFAOYSA-N 1 1 287.407 2.952 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000174869812 329164217 /nfs/dbraw/zinc/16/42/17/329164217.db2.gz XKCMXKPHPKEWMC-UHFFFAOYSA-N 1 1 291.361 2.886 20 30 CFEDMO CCCCCCCCC[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000276938360 328220493 /nfs/dbraw/zinc/22/04/93/328220493.db2.gz JPUKNAWHRXKFEV-UHFFFAOYSA-N 1 1 277.412 2.879 20 30 CFEDMO COc1cc2c(cc1OC)C[N@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000278591656 328227702 /nfs/dbraw/zinc/22/77/02/328227702.db2.gz LDPYMLSJPPUKTF-SWLSCSKDSA-N 1 1 286.375 2.754 20 30 CFEDMO C[C@H](CO)[N@H+](Cc1ccc(OCC#N)cc1)CC1CCC1 ZINC000280605037 328235799 /nfs/dbraw/zinc/23/57/99/328235799.db2.gz VMPPXHNWHKQGFL-CQSZACIVSA-N 1 1 288.391 2.572 20 30 CFEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000181263337 329228332 /nfs/dbraw/zinc/22/83/32/329228332.db2.gz QTVYQXTYSHWDPF-LBPRGKRZSA-N 1 1 264.344 2.969 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000181263337 329228334 /nfs/dbraw/zinc/22/83/34/329228334.db2.gz QTVYQXTYSHWDPF-LBPRGKRZSA-N 1 1 264.344 2.969 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](c3ccccc3)C2)C1 ZINC000284446376 328246022 /nfs/dbraw/zinc/24/60/22/328246022.db2.gz ZRZBSKDZMFDLKG-BMFZPTHFSA-N 1 1 256.349 2.752 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](c3ccccc3)C2)C1 ZINC000284446376 328246024 /nfs/dbraw/zinc/24/60/24/328246024.db2.gz ZRZBSKDZMFDLKG-BMFZPTHFSA-N 1 1 256.349 2.752 20 30 CFEDMO C=CCOc1ccc(CN[C@H](C)CC[NH3+])cc1Cl ZINC000414880860 328248680 /nfs/dbraw/zinc/24/86/80/328248680.db2.gz KJENSYZZRGYOED-LLVKDONJSA-N 1 1 268.788 2.732 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000184088652 329255939 /nfs/dbraw/zinc/25/59/39/329255939.db2.gz DBYGEZWTYOOUFL-LBPRGKRZSA-N 1 1 274.393 2.930 20 30 CFEDMO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2noc3c2CCCC3)C1 ZINC000290259399 328258859 /nfs/dbraw/zinc/25/88/59/328258859.db2.gz WNIWNAXRPPYELG-VXGBXAGGSA-N 1 1 259.353 2.725 20 30 CFEDMO C[C@H](c1ccc(F)cc1)[N@@H+](C)CCOCCC#N ZINC000293415019 328275705 /nfs/dbraw/zinc/27/57/05/328275705.db2.gz IITZHJOBMRULEZ-GFCCVEGCSA-N 1 1 250.317 2.749 20 30 CFEDMO N#CCCOCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000292941377 328273929 /nfs/dbraw/zinc/27/39/29/328273929.db2.gz AZEODTUJNYPDQR-HNNXBMFYSA-N 1 1 262.328 2.893 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000298337577 328295778 /nfs/dbraw/zinc/29/57/78/328295778.db2.gz BHMJBFGBAGBDQU-RHSMWYFYSA-N 1 1 290.382 2.745 20 30 CFEDMO CC(C)Cc1nnc(NC(=O)C[N@H+](C)C(C)C)s1 ZINC000049398818 328357391 /nfs/dbraw/zinc/35/73/91/328357391.db2.gz VXAIWJYPHLWTLW-UHFFFAOYSA-N 1 1 270.402 2.665 20 30 CFEDMO CC(C)Cc1nnc(NC(=O)C[N@@H+](C)C(C)C)s1 ZINC000049398818 328357392 /nfs/dbraw/zinc/35/73/92/328357392.db2.gz VXAIWJYPHLWTLW-UHFFFAOYSA-N 1 1 270.402 2.665 20 30 CFEDMO C=CCC[C@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)C1CC1 ZINC000120986437 328365306 /nfs/dbraw/zinc/36/53/06/328365306.db2.gz WCIXEMQDVSMQSJ-WMZOPIPTSA-N 1 1 293.499 2.594 20 30 CFEDMO Cc1cc(C[N@@H+](CCC#N)C(C)C)ccc1-n1cncn1 ZINC000535072670 328383884 /nfs/dbraw/zinc/38/38/84/328383884.db2.gz ISAICMBTASTRGO-UHFFFAOYSA-N 1 1 283.379 2.700 20 30 CFEDMO Cc1cc(C[N@H+](CCC#N)C(C)C)ccc1-n1cncn1 ZINC000535072670 328383886 /nfs/dbraw/zinc/38/38/86/328383886.db2.gz ISAICMBTASTRGO-UHFFFAOYSA-N 1 1 283.379 2.700 20 30 CFEDMO CCN(CC)c1ccc(C[NH2+]Cc2ccc(C#N)o2)cn1 ZINC000174284758 323646446 /nfs/dbraw/zinc/64/64/46/323646446.db2.gz TZOMYZIMHZNWBE-UHFFFAOYSA-N 1 1 284.363 2.682 20 30 CFEDMO C[NH+](C)[C@H]1CCC[C@@H](NCc2cccc(C#N)c2)C1 ZINC000175012581 323659009 /nfs/dbraw/zinc/65/90/09/323659009.db2.gz DLGFZBMIRXORSE-CVEARBPZSA-N 1 1 257.381 2.521 20 30 CFEDMO CC(C)C[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580193048 325014788 /nfs/dbraw/zinc/01/47/88/325014788.db2.gz BWJSXIHTGPCOKO-CQSZACIVSA-N 1 1 297.406 2.859 20 30 CFEDMO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000580687586 325055655 /nfs/dbraw/zinc/05/56/55/325055655.db2.gz APPHKZQOYYTCCL-LBPRGKRZSA-N 1 1 252.321 2.541 20 30 CFEDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000580687586 325055656 /nfs/dbraw/zinc/05/56/56/325055656.db2.gz APPHKZQOYYTCCL-LBPRGKRZSA-N 1 1 252.321 2.541 20 30 CFEDMO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000581249047 325104280 /nfs/dbraw/zinc/10/42/80/325104280.db2.gz VPIVDAJOTWOWPD-OAHLLOKOSA-N 1 1 262.328 2.697 20 30 CFEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000581249047 325104283 /nfs/dbraw/zinc/10/42/83/325104283.db2.gz VPIVDAJOTWOWPD-OAHLLOKOSA-N 1 1 262.328 2.697 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)nc1 ZINC000582369035 325199972 /nfs/dbraw/zinc/19/99/72/325199972.db2.gz YPHSYWBFUHUORW-QGZVFWFLSA-N 1 1 297.402 2.734 20 30 CFEDMO Cc1cc(SCC[N@@H+]2CCO[C@@H](C)C2)ccc1C#N ZINC000583322167 325277905 /nfs/dbraw/zinc/27/79/05/325277905.db2.gz WFILPJWXLASMCD-ZDUSSCGKSA-N 1 1 276.405 2.680 20 30 CFEDMO Cc1cc(SCC[N@H+]2CCO[C@@H](C)C2)ccc1C#N ZINC000583322167 325277906 /nfs/dbraw/zinc/27/79/06/325277906.db2.gz WFILPJWXLASMCD-ZDUSSCGKSA-N 1 1 276.405 2.680 20 30 CFEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(C2CCCC2)no1 ZINC000556330595 326921106 /nfs/dbraw/zinc/92/11/06/326921106.db2.gz UNEYSDNCTJAKTM-OLZOCXBDSA-N 1 1 277.368 2.550 20 30 CFEDMO C=CC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)C1CC1 ZINC000357527298 327016042 /nfs/dbraw/zinc/01/60/42/327016042.db2.gz IPBJLVBLSZXLJA-GDBMZVCRSA-N 1 1 276.424 2.818 20 30 CFEDMO C=CC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)C1CC1 ZINC000357527298 327016043 /nfs/dbraw/zinc/01/60/43/327016043.db2.gz IPBJLVBLSZXLJA-GDBMZVCRSA-N 1 1 276.424 2.818 20 30 CFEDMO COc1ccc(OCC[N@@H+](C)CCCSCC#N)cc1 ZINC000074981325 327122876 /nfs/dbraw/zinc/12/28/76/327122876.db2.gz JDONHZZIDYVOGY-UHFFFAOYSA-N 1 1 294.420 2.653 20 30 CFEDMO C=CCCCCC[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000558978399 327136023 /nfs/dbraw/zinc/13/60/23/327136023.db2.gz TUDLBJYVFYBEGK-OAHLLOKOSA-N 1 1 264.413 2.820 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)oc1C ZINC000559036208 327138610 /nfs/dbraw/zinc/13/86/10/327138610.db2.gz WSXPTMCUKQFCOE-ZDUSSCGKSA-N 1 1 263.337 2.915 20 30 CFEDMO C=CCCC[C@H](C)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000572598893 327172646 /nfs/dbraw/zinc/17/26/46/327172646.db2.gz CZHWKJDAEYFIGM-KBPBESRZSA-N 1 1 255.427 2.939 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000572598894 327172655 /nfs/dbraw/zinc/17/26/55/327172655.db2.gz CZHWKJDAEYFIGM-KGLIPLIRSA-N 1 1 255.427 2.939 20 30 CFEDMO C=C(C)CN(CC)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000065541757 327220291 /nfs/dbraw/zinc/22/02/91/327220291.db2.gz QVDIKJYIQPDZKH-UHFFFAOYSA-N 1 1 289.423 2.726 20 30 CFEDMO C[N@@H+](CCCCC#N)CCOc1ccccc1F ZINC000102396581 327226829 /nfs/dbraw/zinc/22/68/29/327226829.db2.gz SRWDTWMFLPYBBU-UHFFFAOYSA-N 1 1 250.317 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ZINC000491374716 332199994 /nfs/dbraw/zinc/19/99/94/332199994.db2.gz SIDJQKZXFOEEAL-UHFFFAOYSA-N 1 1 257.381 2.839 20 30 CFEDMO C#CC[N@@H+](Cc1c(C)cnn1C)[C@@H]1CCc2ccccc21 ZINC000491414675 332207434 /nfs/dbraw/zinc/20/74/34/332207434.db2.gz DWKLZDMIQRQWSV-QGZVFWFLSA-N 1 1 279.387 2.851 20 30 CFEDMO C#CC[N@H+](Cc1c(C)cnn1C)[C@@H]1CCc2ccccc21 ZINC000491414675 332207435 /nfs/dbraw/zinc/20/74/35/332207435.db2.gz DWKLZDMIQRQWSV-QGZVFWFLSA-N 1 1 279.387 2.851 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1scnc1C(C)C ZINC000491427054 332209273 /nfs/dbraw/zinc/20/92/73/332209273.db2.gz IRPZSGVTRPTDAP-LBPRGKRZSA-N 1 1 292.404 2.521 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1scnc1C(C)C ZINC000491427054 332209274 /nfs/dbraw/zinc/20/92/74/332209274.db2.gz IRPZSGVTRPTDAP-LBPRGKRZSA-N 1 1 292.404 2.521 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000491473966 332218027 /nfs/dbraw/zinc/21/80/27/332218027.db2.gz IXNGTVYTKGGUFV-ZWNOBZJWSA-N 1 1 271.282 2.692 20 30 CFEDMO C#CC[N@H+](CCC[C@H](C)O)[C@H]1CCc2ccccc21 ZINC000491626037 332249647 /nfs/dbraw/zinc/24/96/47/332249647.db2.gz LHGYIORAJZDYFB-YOEHRIQHSA-N 1 1 257.377 2.770 20 30 CFEDMO C=CCc1ccccc1OC[C@@H](O)Cn1c[nH+]c(C)c1C ZINC000172193992 335096960 /nfs/dbraw/zinc/09/69/60/335096960.db2.gz LQVLURBGNOOECF-INIZCTEOSA-N 1 1 286.375 2.668 20 30 CFEDMO C#CC[N@H+](C)Cc1ccc(OCc2cccnc2)cc1 ZINC000491670047 332277363 /nfs/dbraw/zinc/27/73/63/332277363.db2.gz CYICNZRSYIICMX-UHFFFAOYSA-N 1 1 266.344 2.726 20 30 CFEDMO C#C[C@H](CC)[NH2+]Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000491675350 332281204 /nfs/dbraw/zinc/28/12/04/332281204.db2.gz XADZXNABJBHBRV-GFCCVEGCSA-N 1 1 288.782 2.731 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000491714870 332305196 /nfs/dbraw/zinc/30/51/96/332305196.db2.gz OCCIREFFXHVKQA-UHFFFAOYSA-N 1 1 269.348 2.623 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491715360 332305375 /nfs/dbraw/zinc/30/53/75/332305375.db2.gz PLAMYWOKZWMNIQ-CABCVRRESA-N 1 1 292.423 2.731 20 30 CFEDMO C#C[C@@H](CC)[NH2+]Cc1cc(O)c(OC)cc1Br ZINC000491743010 332321344 /nfs/dbraw/zinc/32/13/44/332321344.db2.gz WAOHAGTZIBRSEX-JTQLQIEISA-N 1 1 298.180 2.665 20 30 CFEDMO CC(C)(C)C[C@@H]1CN(C[NH+]2CCC(CC#N)CC2)C(=O)O1 ZINC000492438553 332397606 /nfs/dbraw/zinc/39/76/06/332397606.db2.gz UBOWQEXLHGVXRS-CQSZACIVSA-N 1 1 293.411 2.827 20 30 CFEDMO C=CCCC[C@H](C)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000517155088 333093562 /nfs/dbraw/zinc/09/35/62/333093562.db2.gz YTFGGSPZZZAETF-HNNXBMFYSA-N 1 1 280.456 2.558 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1C[C@@H]1CN(c2ccccc2)CCO1 ZINC000517387745 333098620 /nfs/dbraw/zinc/09/86/20/333098620.db2.gz NKKDJDIWWLQXKT-FUHWJXTLSA-N 1 1 286.419 2.932 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000185483140 333141495 /nfs/dbraw/zinc/14/14/95/333141495.db2.gz QSZDSRSIHAOBAS-CYBMUJFWSA-N 1 1 252.402 2.579 20 30 CFEDMO C[C@@H](O)C[N@H+](Cc1ccccc1)CC1(C#N)CCC1 ZINC000564168419 333182059 /nfs/dbraw/zinc/18/20/59/333182059.db2.gz KEYRKXCOWYWWJT-CQSZACIVSA-N 1 1 258.365 2.563 20 30 CFEDMO C[C@@H](O)C[N@@H+](Cc1ccccc1)CC1(C#N)CCC1 ZINC000564168419 333182060 /nfs/dbraw/zinc/18/20/60/333182060.db2.gz KEYRKXCOWYWWJT-CQSZACIVSA-N 1 1 258.365 2.563 20 30 CFEDMO CCOc1cc(C[NH2+]C[C@H](C)C#N)cc(Cl)c1O ZINC000521826971 333191478 /nfs/dbraw/zinc/19/14/78/333191478.db2.gz NUGGTIYJGWKCQE-SECBINFHSA-N 1 1 268.744 2.694 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000189893921 333200103 /nfs/dbraw/zinc/20/01/03/333200103.db2.gz LRNCVQCRVYPMRQ-HOCLYGCPSA-N 1 1 266.429 2.969 20 30 CFEDMO C=CCCC[NH2+][C@H]1CCN(CCCOCC)C[C@H]1C ZINC000189995787 333201402 /nfs/dbraw/zinc/20/14/02/333201402.db2.gz NXNUEWFXAVSCQS-CVEARBPZSA-N 1 1 268.445 2.679 20 30 CFEDMO C=CCNC(=O)C[N@H+](C)C1CCC(CCC)CC1 ZINC000191424871 333219543 /nfs/dbraw/zinc/21/95/43/333219543.db2.gz YWQUMBXMSSCLLD-UHFFFAOYSA-N 1 1 252.402 2.579 20 30 CFEDMO C#CC[N@@H+](Cc1cnn(C)c1)[C@@H]1CCc2ccccc21 ZINC000195081124 333244968 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ZINC000193449208 333250149 /nfs/dbraw/zinc/25/01/49/333250149.db2.gz NQSZRKSECHHYSO-OAHLLOKOSA-N 1 1 252.402 2.533 20 30 CFEDMO C=CCCCCC[N@@H+]1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000193572119 333253434 /nfs/dbraw/zinc/25/34/34/333253434.db2.gz JVSPXPCJWGHLNI-HNNXBMFYSA-N 1 1 268.445 2.510 20 30 CFEDMO C=CCCCCC[N@H+]1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000193572119 333253435 /nfs/dbraw/zinc/25/34/35/333253435.db2.gz JVSPXPCJWGHLNI-HNNXBMFYSA-N 1 1 268.445 2.510 20 30 CFEDMO N#CCOc1cccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000250063669 333302085 /nfs/dbraw/zinc/30/20/85/333302085.db2.gz VTJIFJLGFSLYAZ-CABCVRRESA-N 1 1 271.364 2.628 20 30 CFEDMO CCc1nc(C[N@H+](C)CCCSCC#N)cs1 ZINC000524791792 333388028 /nfs/dbraw/zinc/38/80/28/333388028.db2.gz WBXIBMQQOKRYHJ-UHFFFAOYSA-N 1 1 269.439 2.784 20 30 CFEDMO CCc1nc(C[N@@H+](C)CCCSCC#N)cs1 ZINC000524791792 333388029 /nfs/dbraw/zinc/38/80/29/333388029.db2.gz WBXIBMQQOKRYHJ-UHFFFAOYSA-N 1 1 269.439 2.784 20 30 CFEDMO CCc1ccccc1NC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000543810427 333901256 /nfs/dbraw/zinc/90/12/56/333901256.db2.gz WEVQYKPBIIVQBL-UHFFFAOYSA-N 1 1 285.391 2.813 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000074995000 334022348 /nfs/dbraw/zinc/02/23/48/334022348.db2.gz AHVUAWYWJHIEIN-OAHLLOKOSA-N 1 1 264.413 2.555 20 30 CFEDMO CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCCCC#N)n1 ZINC000075006753 334022995 /nfs/dbraw/zinc/02/29/95/334022995.db2.gz FEUQSYNTQUTQKR-ZDUSSCGKSA-N 1 1 294.399 2.929 20 30 CFEDMO CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCCCC#N)n1 ZINC000075006753 334022996 /nfs/dbraw/zinc/02/29/96/334022996.db2.gz FEUQSYNTQUTQKR-ZDUSSCGKSA-N 1 1 294.399 2.929 20 30 CFEDMO COCCC[N@H+](CC#Cc1ccccc1Cl)CCOC ZINC000134999338 334111497 /nfs/dbraw/zinc/11/14/97/334111497.db2.gz OCOKJVBFSOYTBM-UHFFFAOYSA-N 1 1 295.810 2.676 20 30 CFEDMO OCC[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000135040580 334113324 /nfs/dbraw/zinc/11/33/24/334113324.db2.gz XSBYTHTYTOPZMG-OAHLLOKOSA-N 1 1 277.795 2.928 20 30 CFEDMO OCC[C@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000135040580 334113326 /nfs/dbraw/zinc/11/33/26/334113326.db2.gz XSBYTHTYTOPZMG-OAHLLOKOSA-N 1 1 277.795 2.928 20 30 CFEDMO CC(C)CC[C@@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000135318939 334125552 /nfs/dbraw/zinc/12/55/52/334125552.db2.gz QIJTVWWRAFAVAB-RDJZCZTQSA-N 1 1 293.455 2.941 20 30 CFEDMO CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000135350445 334127177 /nfs/dbraw/zinc/12/71/77/334127177.db2.gz GIPOFCGUBOURMA-UXLLHSPISA-N 1 1 293.455 2.941 20 30 CFEDMO C=C(C)CN(CC)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000079285514 334151238 /nfs/dbraw/zinc/15/12/38/334151238.db2.gz WDDUUKDJIPEZSQ-IYBDPMFKSA-N 1 1 295.471 2.962 20 30 CFEDMO CC(C)CC[N@H+](CCC#N)CCCSCC#N ZINC000080737938 334173264 /nfs/dbraw/zinc/17/32/64/334173264.db2.gz IWHXYNBGDRBICP-UHFFFAOYSA-N 1 1 253.415 2.895 20 30 CFEDMO CCN1CC[C@H]([N@H+](C)CCCC(C)(C)C#N)[C@@H](C)C1 ZINC000247004048 334273759 /nfs/dbraw/zinc/27/37/59/334273759.db2.gz LDFKDYNXGALCDT-GJZGRUSLSA-N 1 1 265.445 2.978 20 30 CFEDMO CCN1CC[C@H]([N@@H+](C)CCCC(C)(C)C#N)[C@@H](C)C1 ZINC000247004048 334273760 /nfs/dbraw/zinc/27/37/60/334273760.db2.gz LDFKDYNXGALCDT-GJZGRUSLSA-N 1 1 265.445 2.978 20 30 CFEDMO CC(C)CC[C@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000247020760 334274170 /nfs/dbraw/zinc/27/41/70/334274170.db2.gz QIJTVWWRAFAVAB-NVXWUHKLSA-N 1 1 293.455 2.941 20 30 CFEDMO C=CCCC1(C(=O)NCc2c[nH+]c3n2CCCC3)CC1 ZINC000551780998 334260816 /nfs/dbraw/zinc/26/08/16/334260816.db2.gz MCRWJEBDOANNCF-UHFFFAOYSA-N 1 1 273.380 2.582 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@H+]1CCc2ccccc2C1(C)C ZINC000552678500 334342579 /nfs/dbraw/zinc/34/25/79/334342579.db2.gz OMXRJBFWLITQPZ-UHFFFAOYSA-N 1 1 299.418 2.542 20 30 CFEDMO Cc1ccc(NC(=O)C[NH+]2CCC(CC#N)CC2)c(C)c1 ZINC000554631388 334444098 /nfs/dbraw/zinc/44/40/98/334444098.db2.gz IZNMCPHAQZACBK-UHFFFAOYSA-N 1 1 285.391 2.868 20 30 CFEDMO CC[C@H](CC#N)[NH2+][C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000565172325 334542502 /nfs/dbraw/zinc/54/25/02/334542502.db2.gz QXXQEUKBWYAQPJ-DZGCQCFKSA-N 1 1 277.412 2.663 20 30 CFEDMO C[NH+](C)[C@@H](C(=O)NCCCCC#N)c1ccc(Cl)cc1 ZINC000568162769 334798465 /nfs/dbraw/zinc/79/84/65/334798465.db2.gz FYGLXSAWKQQYDY-CQSZACIVSA-N 1 1 293.798 2.753 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000576289540 335184166 /nfs/dbraw/zinc/18/41/66/335184166.db2.gz HWCSGAQJNADCSI-HZPDHXFCSA-N 1 1 266.429 2.528 20 30 CFEDMO CO[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC[C@H]1C ZINC000342728366 335186137 /nfs/dbraw/zinc/18/61/37/335186137.db2.gz HJXDVIHTSSZBQE-CZUORRHYSA-N 1 1 258.365 2.609 20 30 CFEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2nnc(-c3ccccc3)s2)C1 ZINC000576423844 335201973 /nfs/dbraw/zinc/20/19/73/335201973.db2.gz JVNGMGGGYYDBDK-WCQYABFASA-N 1 1 284.388 2.987 20 30 CFEDMO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1CC#N)C1CC1 ZINC000577041624 335288290 /nfs/dbraw/zinc/28/82/90/335288290.db2.gz NGRGFVRRGATXAV-UHFFFAOYSA-N 1 1 291.782 2.829 20 30 CFEDMO C=CCCCC[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000580620044 335304518 /nfs/dbraw/zinc/30/45/18/335304518.db2.gz 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Cc1noc2ncc(C[N@H+]3CCC[C@@H](CC#N)C3)cc12 ZINC000895228473 618484533 /nfs/dbraw/zinc/48/45/33/618484533.db2.gz NDYVSCNAICYLFT-LBPRGKRZSA-N 1 1 270.336 2.657 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](Cc2cn3ccnc3s2)C1 ZINC000895314537 618528599 /nfs/dbraw/zinc/52/85/99/618528599.db2.gz WUHXVQFCTFYVLH-LLVKDONJSA-N 1 1 260.366 2.521 20 30 CFEDMO C#CC1(O)CC[NH+](Cc2ccsc2C(F)(F)F)CC1 ZINC000895386357 618562550 /nfs/dbraw/zinc/56/25/50/618562550.db2.gz ZHWLNSRIKBPYGY-UHFFFAOYSA-N 1 1 289.322 2.727 20 30 CFEDMO Cc1[nH]nc(CN2CCc3c(CC#N)cccc3C2)c1C ZINC000895415609 618573435 /nfs/dbraw/zinc/57/34/35/618573435.db2.gz VWGBJUCZXPUIFI-UHFFFAOYSA-N 1 1 280.375 2.651 20 30 CFEDMO Cc1n[nH]c(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1C ZINC000895415609 618573437 /nfs/dbraw/zinc/57/34/37/618573437.db2.gz VWGBJUCZXPUIFI-UHFFFAOYSA-N 1 1 280.375 2.651 20 30 CFEDMO Cc1n[nH]c(C[N@H+]2CCc3c(CC#N)cccc3C2)c1C ZINC000895415609 618573439 /nfs/dbraw/zinc/57/34/39/618573439.db2.gz VWGBJUCZXPUIFI-UHFFFAOYSA-N 1 1 280.375 2.651 20 30 CFEDMO C#C[C@H](NC1CC[NH+](CCC(C)C)CC1)C1CCOCC1 ZINC000895435395 618582240 /nfs/dbraw/zinc/58/22/40/618582240.db2.gz IKSNDSQPWIRRSV-SFHVURJKSA-N 1 1 292.467 2.515 20 30 CFEDMO C#C[C@H]([NH2+]C1CCN(CCC(C)C)CC1)C1CCOCC1 ZINC000895435395 618582242 /nfs/dbraw/zinc/58/22/42/618582242.db2.gz IKSNDSQPWIRRSV-SFHVURJKSA-N 1 1 292.467 2.515 20 30 CFEDMO N#Cc1cc(C[NH+]2CCC(c3ccon3)CC2)cs1 ZINC000895448537 618591984 /nfs/dbraw/zinc/59/19/84/618591984.db2.gz GHMNUNXFSCDWBW-UHFFFAOYSA-N 1 1 273.361 2.987 20 30 CFEDMO C=CCCCN(CC)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000892556840 618632311 /nfs/dbraw/zinc/63/23/11/618632311.db2.gz SMQIHXARWCRMGO-AWEZNQCLSA-N 1 1 292.427 2.825 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc(F)ccc1Cl)[C@H]1CCCO1 ZINC000782543249 618633427 /nfs/dbraw/zinc/63/34/27/618633427.db2.gz GWPSTRFKNBNREQ-UONOGXRCSA-N 1 1 267.731 2.750 20 30 CFEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC001018121678 618685523 /nfs/dbraw/zinc/68/55/23/618685523.db2.gz 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Cc1cc([C@H](C)[NH2+]Cc2ccc(C)c(C#N)c2)nn1C ZINC000926966338 620434178 /nfs/dbraw/zinc/43/41/78/620434178.db2.gz WKXYWZVMGPTFMU-ZDUSSCGKSA-N 1 1 268.364 2.759 20 30 CFEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)C(C)=C3CCC3)CCC[C@@H]12 ZINC000990610892 620434695 /nfs/dbraw/zinc/43/46/95/620434695.db2.gz DNFCAPAKCBUQCG-AEFFLSMTSA-N 1 1 286.419 2.623 20 30 CFEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)O[C@H](C#N)C1CCCCC1 ZINC000923890771 620443416 /nfs/dbraw/zinc/44/34/16/620443416.db2.gz UHTOETUUHCNJIJ-LSDHHAIUSA-N 1 1 278.396 2.875 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)O[C@H](C#N)C1CCCCC1 ZINC000923890771 620443417 /nfs/dbraw/zinc/44/34/17/620443417.db2.gz UHTOETUUHCNJIJ-LSDHHAIUSA-N 1 1 278.396 2.875 20 30 CFEDMO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000898669551 620487303 /nfs/dbraw/zinc/48/73/03/620487303.db2.gz QQCZYLZYNIOMOK-KGLIPLIRSA-N 1 1 264.413 2.674 20 30 CFEDMO Cc1[nH]c(C2CCN(C(=O)c3ccc(C#N)o3)CC2)[nH+]c1C ZINC000899510960 620576446 /nfs/dbraw/zinc/57/64/46/620576446.db2.gz HEYUIQJBLRYRPQ-UHFFFAOYSA-N 1 1 298.346 2.511 20 30 CFEDMO C=CCCCN(CC)C(=S)NC[C@H]1CCC[N@H+]1CC ZINC000899695643 620593358 /nfs/dbraw/zinc/59/33/58/620593358.db2.gz HKHCRRMFKYBILF-CQSZACIVSA-N 1 1 283.485 2.633 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001014641788 620593700 /nfs/dbraw/zinc/59/37/00/620593700.db2.gz ZLMTZBXPQOMMMV-SFHVURJKSA-N 1 1 296.414 2.782 20 30 CFEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H]2C2CCCC2)cc1 ZINC000899912695 620612808 /nfs/dbraw/zinc/61/28/08/620612808.db2.gz NOUVSAUYSFITDN-SJORKVTESA-N 1 1 270.376 2.856 20 30 CFEDMO C#CCCCCCCSC[C@@H]1C[N@H+](C)CCO1 ZINC000901572932 620867026 /nfs/dbraw/zinc/86/70/26/620867026.db2.gz OLYOCBPVHCGNEA-AWEZNQCLSA-N 1 1 255.427 2.634 20 30 CFEDMO C#CCCCCCCSC[C@@H]1C[N@@H+](C)CCO1 ZINC000901572932 620867029 /nfs/dbraw/zinc/86/70/29/620867029.db2.gz OLYOCBPVHCGNEA-AWEZNQCLSA-N 1 1 255.427 2.634 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc4occc4[nH]3)CCC[C@@H]12 ZINC000990891430 620868856 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621106058 /nfs/dbraw/zinc/10/60/58/621106058.db2.gz TZDALHCYPOFJGX-CQSZACIVSA-N 1 1 284.388 2.764 20 30 CFEDMO C[C@H]1CC(=O)N(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC000902589690 621126367 /nfs/dbraw/zinc/12/63/67/621126367.db2.gz KKIAEZINPDMGTN-AWEZNQCLSA-N 1 1 297.402 2.564 20 30 CFEDMO CCC(=O)c1cccc(C#N)c1OCCCc1c[nH+]cn1C ZINC000902611640 621134882 /nfs/dbraw/zinc/13/48/82/621134882.db2.gz DLPQSGCXHJBATB-UHFFFAOYSA-N 1 1 297.358 2.896 20 30 CFEDMO C=CCCC[N@H+](CC)CN1C(=O)CC12CCCC2 ZINC000902670177 621148797 /nfs/dbraw/zinc/14/87/97/621148797.db2.gz YXNUTBXEACPSEY-UHFFFAOYSA-N 1 1 250.386 2.777 20 30 CFEDMO C[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1cccnc1 ZINC000902726700 621158838 /nfs/dbraw/zinc/15/88/38/621158838.db2.gz TZKGIMAZMISJIF-RYUDHWBXSA-N 1 1 252.321 2.760 20 30 CFEDMO C[C@H](CN[C@H](C)c1cc(C#N)ccn1)[N@H+]1CCC[C@@H](C)C1 ZINC000902746464 621163699 /nfs/dbraw/zinc/16/36/99/621163699.db2.gz HZZKFNIVVZZBMF-RBSFLKMASA-N 1 1 286.423 2.724 20 30 CFEDMO C[C@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)N1CCC[C@@H](C)C1 ZINC000902746464 621163702 /nfs/dbraw/zinc/16/37/02/621163702.db2.gz HZZKFNIVVZZBMF-RBSFLKMASA-N 1 1 286.423 2.724 20 30 CFEDMO CCCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000902766280 621169307 /nfs/dbraw/zinc/16/93/07/621169307.db2.gz HDXZQUQPNGWAQW-QWHCGFSZSA-N 1 1 283.379 2.972 20 30 CFEDMO C=CCC[C@@H]([NH2+]Cc1ccn[nH]1)[C@@]1(C)CCCCO1 ZINC000902796918 621179630 /nfs/dbraw/zinc/17/96/30/621179630.db2.gz WIBLWGCBKRLMJJ-HUUCEWRRSA-N 1 1 263.385 2.793 20 30 CFEDMO Cc1ncc2c(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902810483 621184044 /nfs/dbraw/zinc/18/40/44/621184044.db2.gz VIIFTNXLUOHBJF-XHDPSFHLSA-N 1 1 293.374 2.780 20 30 CFEDMO C[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(C#N)ccn1 ZINC000902866475 621191501 /nfs/dbraw/zinc/19/15/01/621191501.db2.gz HFZAGXHRROOCQE-GFCCVEGCSA-N 1 1 295.342 2.575 20 30 CFEDMO CC[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1cccc(C#N)c1 ZINC000902949498 621212169 /nfs/dbraw/zinc/21/21/69/621212169.db2.gz ASVKVWYKNFVWQN-OAHLLOKOSA-N 1 1 295.390 2.727 20 30 CFEDMO C[C@H](NC[C@@H]1[N@H+](C)CCCC1(C)C)c1cc(C#N)ccn1 ZINC000902976833 621216096 /nfs/dbraw/zinc/21/60/96/621216096.db2.gz VLEZWPNDIKJKFP-BBRMVZONSA-N 1 1 286.423 2.724 20 30 CFEDMO C[C@H](NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1cc(C#N)ccn1 ZINC000902976833 621216100 /nfs/dbraw/zinc/21/61/00/621216100.db2.gz VLEZWPNDIKJKFP-BBRMVZONSA-N 1 1 286.423 2.724 20 30 CFEDMO N#CC1(CCCC[N@H+]2CC[C@@H](Nc3ncccn3)C2)CCC1 ZINC000903019215 621222854 /nfs/dbraw/zinc/22/28/54/621222854.db2.gz KGJMWZBSRWGSBH-OAHLLOKOSA-N 1 1 299.422 2.827 20 30 CFEDMO COc1ccc2c(c1)[C@H]([NH2+]CC1(C#N)CCC1)CC2 ZINC000903032413 621230394 /nfs/dbraw/zinc/23/03/94/621230394.db2.gz SAWQLQNGCXXXBW-OAHLLOKOSA-N 1 1 256.349 2.966 20 30 CFEDMO CC[N@@H+](CCO[C@H](C)C#N)[C@@H](C)Cc1ccsc1 ZINC000801946094 621254115 /nfs/dbraw/zinc/25/41/15/621254115.db2.gz KZGWUQAWPDDAOU-QWHCGFSZSA-N 1 1 266.410 2.930 20 30 CFEDMO C#Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903182944 621277374 /nfs/dbraw/zinc/27/73/74/621277374.db2.gz IJMNQOBQVWXMES-JLYLLQBASA-N 1 1 280.415 2.915 20 30 CFEDMO C#Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903182944 621277376 /nfs/dbraw/zinc/27/73/76/621277376.db2.gz IJMNQOBQVWXMES-JLYLLQBASA-N 1 1 280.415 2.915 20 30 CFEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc([N+](=O)[O-])c1 ZINC000903191888 621280374 /nfs/dbraw/zinc/28/03/74/621280374.db2.gz GDMRUOZJOXKXDN-LLVKDONJSA-N 1 1 289.335 2.948 20 30 CFEDMO COc1cccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)c1O ZINC000903265040 621304664 /nfs/dbraw/zinc/30/46/64/621304664.db2.gz XSSPPQJFHMYVPY-SECBINFHSA-N 1 1 289.360 2.580 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000903475805 621390270 /nfs/dbraw/zinc/39/02/70/621390270.db2.gz DOKOPXAOAUHKRY-FUHWJXTLSA-N 1 1 283.419 2.749 20 30 CFEDMO C[C@@H]1CC[C@H](CN)[N@@H+](CC2CCC(C#N)CC2)[C@@H]1C ZINC000903482852 621392896 /nfs/dbraw/zinc/39/28/96/621392896.db2.gz VUNOLMLZHCUSBT-BKAAIYKLSA-N 1 1 263.429 2.764 20 30 CFEDMO N#CC1(CCCCN2CCC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000903753057 621433220 /nfs/dbraw/zinc/43/32/20/621433220.db2.gz ZJDRBGZFKGVTOW-KRWDZBQOSA-N 1 1 275.440 2.926 20 30 CFEDMO C[C@@H]1[C@H](C)NC[C@H](C)[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903786933 621442322 /nfs/dbraw/zinc/44/23/22/621442322.db2.gz QMZYBVWNFIAYEP-SOUVJXGZSA-N 1 1 263.429 2.921 20 30 CFEDMO C[C@@H]1[C@H](C)NC[C@H](C)[N@H+]1CCCCC1(C#N)CCC1 ZINC000903786933 621442324 /nfs/dbraw/zinc/44/23/24/621442324.db2.gz QMZYBVWNFIAYEP-SOUVJXGZSA-N 1 1 263.429 2.921 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000832714996 625492907 /nfs/dbraw/zinc/49/29/07/625492907.db2.gz VHIFJJZGTGYRHF-UHFFFAOYSA-N 1 1 298.390 2.990 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000832718604 625493951 /nfs/dbraw/zinc/49/39/51/625493951.db2.gz LKZJOAXJZBENGQ-AWEZNQCLSA-N 1 1 289.423 2.863 20 30 CFEDMO C[N@H+]1CC[C@H](CC(=O)N(O)Cc2cccc3ccccc32)C1 ZINC000904172986 621541618 /nfs/dbraw/zinc/54/16/18/621541618.db2.gz MSSMKNSXZUMSGZ-CQSZACIVSA-N 1 1 298.386 2.899 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cncc(C)c2)no1 ZINC000904538417 621606106 /nfs/dbraw/zinc/60/61/06/621606106.db2.gz OPWLBRVLPGHGGL-LBPRGKRZSA-N 1 1 258.325 2.796 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H]2CCCS2)no1 ZINC000904617428 621616521 /nfs/dbraw/zinc/61/65/21/621616521.db2.gz LVEWSNVZMDSQFF-UWVGGRQHSA-N 1 1 253.371 2.994 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(O)cc2)no1 ZINC000904677437 621621520 /nfs/dbraw/zinc/62/15/20/621621520.db2.gz NGMLCUUOGQFHIM-GFCCVEGCSA-N 1 1 259.309 2.798 20 30 CFEDMO C[N@H+]1CCC[C@@H](CNc2nc3ccccc3cc2C#N)C1 ZINC000071385879 625511054 /nfs/dbraw/zinc/51/10/54/625511054.db2.gz LSTMGMDIXIKVOA-ZDUSSCGKSA-N 1 1 280.375 2.860 20 30 CFEDMO C=CC[C@@H]([NH2+]C[C@@H](C)Cc1ccc(OC)cc1)C(=O)OC ZINC000905764366 621855948 /nfs/dbraw/zinc/85/59/48/621855948.db2.gz XGWDUDJBVYBMEJ-XJKSGUPXSA-N 1 1 291.391 2.581 20 30 CFEDMO Cc1cccc([C@H](O)C[N@@H+](CCC#N)CC(C)C)c1 ZINC000905884192 621890725 /nfs/dbraw/zinc/89/07/25/621890725.db2.gz PFCALROAMSXJLG-MRXNPFEDSA-N 1 1 260.381 2.900 20 30 CFEDMO Cc1cccc([C@H](O)C[N@H+](CCC#N)CC(C)C)c1 ZINC000905884192 621890733 /nfs/dbraw/zinc/89/07/33/621890733.db2.gz PFCALROAMSXJLG-MRXNPFEDSA-N 1 1 260.381 2.900 20 30 CFEDMO CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000905887009 621891286 /nfs/dbraw/zinc/89/12/86/621891286.db2.gz LLYVIKHJMXSSSW-INIZCTEOSA-N 1 1 299.374 2.572 20 30 CFEDMO CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000905887009 621891288 /nfs/dbraw/zinc/89/12/88/621891288.db2.gz LLYVIKHJMXSSSW-INIZCTEOSA-N 1 1 299.374 2.572 20 30 CFEDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(C)c1C#N ZINC000906241053 621963876 /nfs/dbraw/zinc/96/38/76/621963876.db2.gz SAZZBFPOOUVEHR-CVEARBPZSA-N 1 1 297.402 2.532 20 30 CFEDMO CCCC[N@H+]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000906537771 622000362 /nfs/dbraw/zinc/00/03/62/622000362.db2.gz KPKHOMBLOGSREZ-CQSZACIVSA-N 1 1 258.369 2.630 20 30 CFEDMO C[C@@H]1C[N@@H+]([C@@H]2C[C@@H]2c2cccc(F)c2)C[C@H](C)N1CC#N ZINC000906590317 622009048 /nfs/dbraw/zinc/00/90/48/622009048.db2.gz OZJRAPLYEJVGFD-DLTLXFJOSA-N 1 1 287.382 2.600 20 30 CFEDMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc(C)c1C#N ZINC000906793898 622048260 /nfs/dbraw/zinc/04/82/60/622048260.db2.gz TXOADOSQPFXMHF-RHSMWYFYSA-N 1 1 299.418 2.587 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)c2cccc(C#N)c2)C1 ZINC000906858904 622057992 /nfs/dbraw/zinc/05/79/92/622057992.db2.gz AUTAAQNNABTRDV-RHSMWYFYSA-N 1 1 299.418 2.857 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183823571 625545389 /nfs/dbraw/zinc/54/53/89/625545389.db2.gz HJVWPPUZGWOHGO-CQSZACIVSA-N 1 1 280.412 2.791 20 30 CFEDMO C=CCC1(NC(=O)C[N@H+](C)C2CCC2)CCCCC1 ZINC000909222040 622328554 /nfs/dbraw/zinc/32/85/54/622328554.db2.gz BVJBRBQEDQSRKS-UHFFFAOYSA-N 1 1 264.413 2.866 20 30 CFEDMO C#CCC1(C(=O)N2CCC[N@H+](CC)C[C@H]2C)CCCCC1 ZINC000910278303 622423725 /nfs/dbraw/zinc/42/37/25/622423725.db2.gz DIQTWURGKSUZRX-MRXNPFEDSA-N 1 1 290.451 2.903 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC3(F)F)CCC[C@@H]12 ZINC000991294112 622492109 /nfs/dbraw/zinc/49/21/09/622492109.db2.gz BGWZQPMEBRFAAZ-GZBFAFLISA-N 1 1 298.377 2.721 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000821026334 622825365 /nfs/dbraw/zinc/82/53/65/622825365.db2.gz VSAOVEHGYCKJGM-HOCLYGCPSA-N 1 1 264.413 2.533 20 30 CFEDMO C#CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000913096450 622834098 /nfs/dbraw/zinc/83/40/98/622834098.db2.gz ARSRFWRDCIWZOL-FUHWJXTLSA-N 1 1 298.430 2.817 20 30 CFEDMO C=CCC(CC=C)C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913282951 622872345 /nfs/dbraw/zinc/87/23/45/622872345.db2.gz LJOAAMAWHWBYJA-CALCHBBNSA-N 1 1 276.424 2.555 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@H](CC)C2)c1O ZINC000163883956 622927215 /nfs/dbraw/zinc/92/72/15/622927215.db2.gz NCRWWZORPNTNNZ-OAHLLOKOSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@H](CC)C2)c1O ZINC000163883956 622927218 /nfs/dbraw/zinc/92/72/18/622927218.db2.gz NCRWWZORPNTNNZ-OAHLLOKOSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C3(F)CCCC3)CCC[C@H]12 ZINC000991498861 622945791 /nfs/dbraw/zinc/94/57/91/622945791.db2.gz CEUVKHHZEKEMSW-XJKSGUPXSA-N 1 1 280.387 2.568 20 30 CFEDMO C=CCc1cc(C[N@@H+](C)C[C@@H]2CCCO2)c(O)c(OC)c1 ZINC000164355501 622950294 /nfs/dbraw/zinc/95/02/94/622950294.db2.gz RITQKZCHPDUXFJ-HNNXBMFYSA-N 1 1 291.391 2.740 20 30 CFEDMO CCCCCCCCC[N@@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000157201985 623012667 /nfs/dbraw/zinc/01/26/67/623012667.db2.gz ZHIGQPMLTMKVQT-CQSZACIVSA-N 1 1 271.401 2.611 20 30 CFEDMO CCCCCCCCC[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000157201985 623012672 /nfs/dbraw/zinc/01/26/72/623012672.db2.gz ZHIGQPMLTMKVQT-CQSZACIVSA-N 1 1 271.401 2.611 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000822088789 623032834 /nfs/dbraw/zinc/03/28/34/623032834.db2.gz GCECCTIKDVOCTI-GOEBONIOSA-N 1 1 272.392 2.762 20 30 CFEDMO C=C[C@H](CC)CC(=O)NCC[N@H+]1CCCC1(C)C ZINC000822144439 623049897 /nfs/dbraw/zinc/04/98/97/623049897.db2.gz WIIHANHQUGOABD-CYBMUJFWSA-N 1 1 252.402 2.579 20 30 CFEDMO CC(C)C#CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000822184118 623056593 /nfs/dbraw/zinc/05/65/93/623056593.db2.gz YYMMGSJDNUXBMB-IYBDPMFKSA-N 1 1 278.440 2.520 20 30 CFEDMO C[N@@H+](Cc1cc(C#N)cs1)C[C@](C)(O)c1ccccc1 ZINC000822516049 623119013 /nfs/dbraw/zinc/11/90/13/623119013.db2.gz ICDWWRJQCJYRSF-INIZCTEOSA-N 1 1 286.400 2.959 20 30 CFEDMO C=CCN(C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC000822526916 623121288 /nfs/dbraw/zinc/12/12/88/623121288.db2.gz XDMWGCTUDIGRCA-HNNXBMFYSA-N 1 1 293.455 2.999 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cnc3ccccc3c2)no1 ZINC000822717380 623159415 /nfs/dbraw/zinc/15/94/15/623159415.db2.gz JKZWKHJOYYPNPQ-CYBMUJFWSA-N 1 1 293.330 2.978 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc(Cc2ccc(F)cc2F)no1 ZINC000822722080 623160074 /nfs/dbraw/zinc/16/00/74/623160074.db2.gz AWXHDLGIFSXDDB-LBPRGKRZSA-N 1 1 292.289 2.632 20 30 CFEDMO COCc1cccc(-c2noc([C@H]([NH3+])CCCC#N)n2)c1 ZINC000822740316 623164950 /nfs/dbraw/zinc/16/49/50/623164950.db2.gz OUQUJUODVFBINE-CYBMUJFWSA-N 1 1 286.335 2.577 20 30 CFEDMO CC(=O)Nc1cccc(CO[NH+]=C(N)C2CCCC2)c1 ZINC000170641541 623169851 /nfs/dbraw/zinc/16/98/51/623169851.db2.gz DTDAOYQJAXOIDX-UHFFFAOYSA-N 1 1 275.352 2.624 20 30 CFEDMO Cc1cc(F)ccc1-c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000822797720 623176827 /nfs/dbraw/zinc/17/68/27/623176827.db2.gz KMNFZNYMARTCBY-GFCCVEGCSA-N 1 1 274.299 2.878 20 30 CFEDMO C[C@H](c1cccs1)c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000822832146 623183888 /nfs/dbraw/zinc/18/38/88/623183888.db2.gz SJPGRMGFBPYQOD-NXEZZACHSA-N 1 1 276.365 2.977 20 30 CFEDMO CCS[C@@H](C)c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000822869931 623192319 /nfs/dbraw/zinc/19/23/19/623192319.db2.gz NNTHQGDQLUFUAD-DTWKUNHWSA-N 1 1 254.359 2.577 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc([C@H]2CCCCS2)no1 ZINC000822887776 623197862 /nfs/dbraw/zinc/19/78/62/623197862.db2.gz WIEHKKDSXYMBQR-NXEZZACHSA-N 1 1 266.370 2.721 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2nccs2)cc1 ZINC000171563177 623229315 /nfs/dbraw/zinc/22/93/15/623229315.db2.gz VVOAJLPVEKFDKC-NSHDSACASA-N 1 1 273.361 2.724 20 30 CFEDMO C#CCNC(=O)C[N@H+]([C@@H](C)c1ccccc1)C1CCCC1 ZINC000823105856 623237317 /nfs/dbraw/zinc/23/73/17/623237317.db2.gz MTPMTHGCLGVNPZ-HNNXBMFYSA-N 1 1 284.403 2.742 20 30 CFEDMO COc1cc(C)ccc1-c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000823163086 623248800 /nfs/dbraw/zinc/24/88/00/623248800.db2.gz FLPLTWWDBXOZNC-GFCCVEGCSA-N 1 1 286.335 2.747 20 30 CFEDMO CCCCCCCC[N@@H+](CC)[C@H]1CCS(=O)(=O)C1 ZINC000172649058 623295848 /nfs/dbraw/zinc/29/58/48/623295848.db2.gz MOBZVXUOLNYADE-AWEZNQCLSA-N 1 1 275.458 2.856 20 30 CFEDMO C=C[C@H](CC)CC(=O)N(CCC)[C@H]1CC[N@@H+](C)C1 ZINC000823499730 623335353 /nfs/dbraw/zinc/33/53/53/623335353.db2.gz NZYBEQCNLMKTEA-KGLIPLIRSA-N 1 1 252.402 2.531 20 30 CFEDMO C#CCCCNC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000173321484 623344328 /nfs/dbraw/zinc/34/43/28/623344328.db2.gz SJPLTYGFLUNJDQ-UHFFFAOYSA-N 1 1 293.455 2.553 20 30 CFEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@H]1C ZINC000173523875 623355630 /nfs/dbraw/zinc/35/56/30/623355630.db2.gz GJBXHOWDGDXTFI-GFCCVEGCSA-N 1 1 281.363 2.567 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@@H]1CCOC1=O ZINC000823618461 623363577 /nfs/dbraw/zinc/36/35/77/623363577.db2.gz RGGDGNDLRDMQNE-GXTWGEPZSA-N 1 1 272.348 2.504 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C[C@@H]3C[C@H]3C3CC3)CCC[C@@H]12 ZINC000991933870 623366563 /nfs/dbraw/zinc/36/65/63/623366563.db2.gz NZVAAIVJXQUSQK-LISAXSMJSA-N 1 1 288.435 2.722 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC2(CCCC2)C1 ZINC000174267144 623403192 /nfs/dbraw/zinc/40/31/92/623403192.db2.gz QOTDJFQCHCRKTA-HNNXBMFYSA-N 1 1 276.424 2.842 20 30 CFEDMO N#CC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000929488393 623447740 /nfs/dbraw/zinc/44/77/40/623447740.db2.gz CGJMFDYWNWCIFO-HZPDHXFCSA-N 1 1 258.365 2.531 20 30 CFEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)CC3CC(C)(C)C3)CCC[C@@H]12 ZINC000992132731 623464408 /nfs/dbraw/zinc/46/44/08/623464408.db2.gz UUUZHVQQBKBNGM-QAPCUYQASA-N 1 1 288.435 2.559 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[C@@H]3C)CCC[C@@H]12 ZINC000992140124 623467003 /nfs/dbraw/zinc/46/70/03/623467003.db2.gz JPPAXMAJFDMLHE-MPTYRVRUSA-N 1 1 276.424 2.722 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3occc3Cl)CCC[C@H]12 ZINC000992170013 623476859 /nfs/dbraw/zinc/47/68/59/623476859.db2.gz JKHXVCDVSUBNMM-WFASDCNBSA-N 1 1 294.782 2.846 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3occc3CC)CCC[C@@H]12 ZINC000992170716 623477002 /nfs/dbraw/zinc/47/70/02/623477002.db2.gz KONUEHIDTMMUKV-RHSMWYFYSA-N 1 1 288.391 2.755 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3occc3Cl)CCC[C@H]12 ZINC000992170011 623477388 /nfs/dbraw/zinc/47/73/88/623477388.db2.gz JKHXVCDVSUBNMM-SWLSCSKDSA-N 1 1 294.782 2.846 20 30 CFEDMO CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@H]12 ZINC000992190476 623482542 /nfs/dbraw/zinc/48/25/42/623482542.db2.gz OPRGVQSFUNFQEP-CBZIJGRNSA-N 1 1 288.435 2.559 20 30 CFEDMO C=CCCCC[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000827808016 623484356 /nfs/dbraw/zinc/48/43/56/623484356.db2.gz QOPHWQDGMLVIDF-HNNXBMFYSA-N 1 1 264.413 2.820 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000824296144 623484510 /nfs/dbraw/zinc/48/45/10/623484510.db2.gz AXOMAZHSEQIBOX-CQSZACIVSA-N 1 1 296.370 2.825 20 30 CFEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@@H]12 ZINC000992242351 623496377 /nfs/dbraw/zinc/49/63/77/623496377.db2.gz RBESJYWMYNOTED-ANQUJSFKSA-N 1 1 276.424 2.722 20 30 CFEDMO CCC[N@@H+](Cc1cncc(C#N)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000929695803 623513626 /nfs/dbraw/zinc/51/36/26/623513626.db2.gz HXGWDRMERIYOFN-BBWFWOEESA-N 1 1 299.418 2.979 20 30 CFEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cncc(C#N)c2)C1(C)C ZINC000929698463 623515314 /nfs/dbraw/zinc/51/53/14/623515314.db2.gz MMKOKOATFVGMOJ-HUUCEWRRSA-N 1 1 273.380 2.589 20 30 CFEDMO CN(CCC#N)c1ccc(C=[NH+]OCC(F)F)cc1 ZINC000758906157 623516692 /nfs/dbraw/zinc/51/66/92/623516692.db2.gz BSWMPBQJWDFIEF-UHFFFAOYSA-N 1 1 267.279 2.652 20 30 CFEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3C3CC3)CCC[C@H]12 ZINC000992340727 623521357 /nfs/dbraw/zinc/52/13/57/623521357.db2.gz MVAYYCBKJTVHGE-DFGXFYAUSA-N 1 1 288.435 2.722 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3ccnc(C)c3)CCC[C@@H]12 ZINC000992362192 623525312 /nfs/dbraw/zinc/52/53/12/623525312.db2.gz JDKZTSXTXXQAOT-AEFFLSMTSA-N 1 1 299.418 2.693 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000824814834 623571365 /nfs/dbraw/zinc/57/13/65/623571365.db2.gz FYIQMLRYJWEVNB-GOEBONIOSA-N 1 1 273.376 2.555 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000824840542 623574659 /nfs/dbraw/zinc/57/46/59/623574659.db2.gz BKEPUGZZSTXAHN-INIZCTEOSA-N 1 1 299.418 2.782 20 30 CFEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C)c(C)c3)CCC[C@H]12 ZINC000992468498 623586890 /nfs/dbraw/zinc/58/68/90/623586890.db2.gz PPQILFXLTGWVFR-HKUYNNGSSA-N 1 1 296.414 2.663 20 30 CFEDMO C#Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000825016674 623606312 /nfs/dbraw/zinc/60/63/12/623606312.db2.gz GJOICMWQZYLOBP-IUODEOHRSA-N 1 1 251.333 2.660 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)c2ccccc2C(C)C)CC1 ZINC000825077775 623623273 /nfs/dbraw/zinc/62/32/73/623623273.db2.gz ICJGPBPUWKYAOD-UHFFFAOYSA-N 1 1 284.403 2.591 20 30 CFEDMO C#Cc1ccc(C[NH2+]Cc2cnc(CCC)o2)cc1 ZINC000825086312 623625440 /nfs/dbraw/zinc/62/54/40/623625440.db2.gz RQDSPZDNLSTMCM-UHFFFAOYSA-N 1 1 254.333 2.898 20 30 CFEDMO C#CCC(C)(C)C(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC000825169419 623642639 /nfs/dbraw/zinc/64/26/39/623642639.db2.gz KRTWLQJKRXOZSH-INIZCTEOSA-N 1 1 284.403 2.517 20 30 CFEDMO C#CCC(C)(C)C(=O)N1CC[NH2+][C@@H](c2ccccc2C)C1 ZINC000825169420 623643104 /nfs/dbraw/zinc/64/31/04/623643104.db2.gz KRTWLQJKRXOZSH-MRXNPFEDSA-N 1 1 284.403 2.517 20 30 CFEDMO C#Cc1cccc(C[NH2+]Cc2nc3c(s2)CCC3)c1 ZINC000825226683 623653718 /nfs/dbraw/zinc/65/37/18/623653718.db2.gz LFPCDWRPFYKHQS-UHFFFAOYSA-N 1 1 268.385 2.903 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)[C@H](CCC)CC(C)C)CC1 ZINC000825548361 623713544 /nfs/dbraw/zinc/71/35/44/623713544.db2.gz ALPOJVYECGMNSH-MRXNPFEDSA-N 1 1 278.440 2.616 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cnc3ccccc3c2C)C1 ZINC001015313669 623744236 /nfs/dbraw/zinc/74/42/36/623744236.db2.gz NOVWBUPICTWSMW-CQSZACIVSA-N 1 1 295.386 2.533 20 30 CFEDMO C=C1CCC(CNC(=O)NC[C@H]2CC[N@H+](CCC)C2)CC1 ZINC000914336705 623767167 /nfs/dbraw/zinc/76/71/67/623767167.db2.gz CUHRWDGVWCLXFG-MRXNPFEDSA-N 1 1 293.455 2.764 20 30 CFEDMO N#CC1(c2ccc(C[N@@H+]3C[C@H]4[C@@H](C3)C4(F)F)cc2)CC1 ZINC000826142981 623797209 /nfs/dbraw/zinc/79/72/09/623797209.db2.gz PXXNJNRTUZWJTN-OKILXGFUSA-N 1 1 274.314 2.939 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2CCCC2)[C@@H]1C ZINC000992943715 623814416 /nfs/dbraw/zinc/81/44/16/623814416.db2.gz KQRKTWPLMPYYSW-ZFWWWQNUSA-N 1 1 264.413 2.722 20 30 CFEDMO 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ZINC000775572765 628041035 /nfs/dbraw/zinc/04/10/35/628041035.db2.gz CSXITKIBXNLJBK-NQYYFHDYSA-N 1 1 298.430 2.592 20 30 CFEDMO C#C[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCCO1 ZINC000775572765 628041036 /nfs/dbraw/zinc/04/10/36/628041036.db2.gz CSXITKIBXNLJBK-NQYYFHDYSA-N 1 1 298.430 2.592 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1cnn(-c2ccccc2)c1)[C@@H]1CCCO1 ZINC000775574769 628042574 /nfs/dbraw/zinc/04/25/74/628042574.db2.gz RNCZJECFVOMMIC-JLSDUUJJSA-N 1 1 295.386 2.704 20 30 CFEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@@H]1CCCCNC1=O ZINC000775593241 628044284 /nfs/dbraw/zinc/04/42/84/628044284.db2.gz BNWHISMGEINOQE-MRXNPFEDSA-N 1 1 299.418 2.588 20 30 CFEDMO C=C(C)CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000775600805 628044842 /nfs/dbraw/zinc/04/48/42/628044842.db2.gz KDPCATPQYYKASZ-ZDUSSCGKSA-N 1 1 268.401 2.894 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cccc(F)c1Cl)[C@H]1CCCO1 ZINC000775789768 628068161 /nfs/dbraw/zinc/06/81/61/628068161.db2.gz NMOPVNWOJMGOKX-QWHCGFSZSA-N 1 1 267.731 2.750 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000775984914 628091105 /nfs/dbraw/zinc/09/11/05/628091105.db2.gz IDGKIRDGGOHXCC-RBSFLKMASA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)cc1 ZINC000775984914 628091109 /nfs/dbraw/zinc/09/11/09/628091109.db2.gz IDGKIRDGGOHXCC-RBSFLKMASA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN(C)[C@H](C)[C@H]2C)cc1 ZINC000775984914 628091113 /nfs/dbraw/zinc/09/11/13/628091113.db2.gz IDGKIRDGGOHXCC-RBSFLKMASA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(OCC#N)cc1 ZINC000776005747 628093514 /nfs/dbraw/zinc/09/35/14/628093514.db2.gz BVTWRMYEJXUDSN-GFCCVEGCSA-N 1 1 255.321 2.543 20 30 CFEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000776008311 628093960 /nfs/dbraw/zinc/09/39/60/628093960.db2.gz QBOUWGXTTHJLIR-NSHDSACASA-N 1 1 269.348 2.526 20 30 CFEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000776008310 628094360 /nfs/dbraw/zinc/09/43/60/628094360.db2.gz QBOUWGXTTHJLIR-LLVKDONJSA-N 1 1 269.348 2.526 20 30 CFEDMO C[C@@H](NCC[N@@H+]1CCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000776163770 628109532 /nfs/dbraw/zinc/10/95/32/628109532.db2.gz WEUSNHMCSAKTGG-HUUCEWRRSA-N 1 1 287.407 2.724 20 30 CFEDMO C[C@@H](NCC[N@H+]1CCC[C@H]1C)c1ccc(OCC#N)cc1 ZINC000776163770 628109535 /nfs/dbraw/zinc/10/95/35/628109535.db2.gz WEUSNHMCSAKTGG-HUUCEWRRSA-N 1 1 287.407 2.724 20 30 CFEDMO C[C@@H](C#N)CNN=C1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000776187993 628113555 /nfs/dbraw/zinc/11/35/55/628113555.db2.gz QZHPRGRICUFSNM-LSDHHAIUSA-N 1 1 284.407 2.634 20 30 CFEDMO C[C@@H](C#N)CNN=C1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000776187993 628113559 /nfs/dbraw/zinc/11/35/59/628113559.db2.gz QZHPRGRICUFSNM-LSDHHAIUSA-N 1 1 284.407 2.634 20 30 CFEDMO C#CCCN1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000776593355 628163152 /nfs/dbraw/zinc/16/31/52/628163152.db2.gz IQJXLKDFPIKTPD-GOSISDBHSA-N 1 1 286.394 2.844 20 30 CFEDMO COc1ncccc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000776726877 628171678 /nfs/dbraw/zinc/17/16/78/628171678.db2.gz PEDJZHIBHJQMMA-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO C#CCOc1cc(F)ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000777119356 628200967 /nfs/dbraw/zinc/20/09/67/628200967.db2.gz MORJELRFGOTCJG-CABCVRRESA-N 1 1 288.366 2.876 20 30 CFEDMO C=CC[C@@H]1CCCN(C(=O)NCC[N@H+](CC)C(C)C)C1 ZINC000852064092 634640687 /nfs/dbraw/zinc/64/06/87/634640687.db2.gz JZLJIQPUQORVAP-OAHLLOKOSA-N 1 1 281.444 2.714 20 30 CFEDMO COC[C@@H](C)NN=C1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000777902826 628263452 /nfs/dbraw/zinc/26/34/52/628263452.db2.gz VOZFNNKIKAVHDT-HUUCEWRRSA-N 1 1 289.423 2.509 20 30 CFEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1cc(Cl)ccn1 ZINC000777906063 628263908 /nfs/dbraw/zinc/26/39/08/628263908.db2.gz RWBWITKLYSZQQA-VIFPVBQESA-N 1 1 264.760 2.617 20 30 CFEDMO C[C@H]([NH2+]Cc1cc(Cl)ccc1OCC#N)c1cn[nH]c1 ZINC000778141070 628280413 /nfs/dbraw/zinc/28/04/13/628280413.db2.gz UTRNYPFSCBRVCO-JTQLQIEISA-N 1 1 290.754 2.816 20 30 CFEDMO C#CCCC[N@@H+](C)C(C)(C)CN1CCCCCC1 ZINC000778219011 628288357 /nfs/dbraw/zinc/28/83/57/628288357.db2.gz RFKJJDULWSVMOD-UHFFFAOYSA-N 1 1 250.430 2.986 20 30 CFEDMO C#CCCC[N@H+](C)C(C)(C)CN1CCCCCC1 ZINC000778219011 628288359 /nfs/dbraw/zinc/28/83/59/628288359.db2.gz RFKJJDULWSVMOD-UHFFFAOYSA-N 1 1 250.430 2.986 20 30 CFEDMO C=C(C)C[N@@H+](C)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000778230094 628289909 /nfs/dbraw/zinc/28/99/09/628289909.db2.gz DELNBEUKWUBYOM-UHFFFAOYSA-N 1 1 278.787 2.938 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000778230094 628289910 /nfs/dbraw/zinc/28/99/10/628289910.db2.gz DELNBEUKWUBYOM-UHFFFAOYSA-N 1 1 278.787 2.938 20 30 CFEDMO CCCCCC[N@H+](C)CC(=O)O[C@@H](C#N)C(C)C ZINC000778624388 628320444 /nfs/dbraw/zinc/32/04/44/628320444.db2.gz PYNKIZDZFITQFO-ZDUSSCGKSA-N 1 1 254.374 2.590 20 30 CFEDMO CCCCCC[N@@H+](C)CC(=O)O[C@@H](C#N)C(C)C ZINC000778624388 628320447 /nfs/dbraw/zinc/32/04/47/628320447.db2.gz PYNKIZDZFITQFO-ZDUSSCGKSA-N 1 1 254.374 2.590 20 30 CFEDMO Cc1[nH+]ccn1CCCCOC(=O)Cc1cccc(C#N)c1 ZINC000778814484 628333486 /nfs/dbraw/zinc/33/34/86/628333486.db2.gz HGTLERQKJZIADB-UHFFFAOYSA-N 1 1 297.358 2.629 20 30 CFEDMO Cc1[nH+]ccn1CCCCOC(=O)c1ccc(C#N)s1 ZINC000778816270 628333980 /nfs/dbraw/zinc/33/39/80/628333980.db2.gz FFHFPCPEQJJQNZ-UHFFFAOYSA-N 1 1 289.360 2.762 20 30 CFEDMO C=CCCCC(=O)OCCCCn1cc[nH+]c1C ZINC000778817869 628334027 /nfs/dbraw/zinc/33/40/27/628334027.db2.gz PBLBELCAXMNOTG-UHFFFAOYSA-N 1 1 250.342 2.871 20 30 CFEDMO Cc1[nH+]ccn1CCCCOC(=O)c1ccc(CC#N)cc1 ZINC000778840383 628336408 /nfs/dbraw/zinc/33/64/08/628336408.db2.gz VRIMSSWOVMWLFT-UHFFFAOYSA-N 1 1 297.358 2.895 20 30 CFEDMO C=CC[C@@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000778932606 628340350 /nfs/dbraw/zinc/34/03/50/628340350.db2.gz HHMVZVNJNJOFHI-GDBMZVCRSA-N 1 1 272.392 2.509 20 30 CFEDMO C=CC[C@@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000778932606 628340352 /nfs/dbraw/zinc/34/03/52/628340352.db2.gz HHMVZVNJNJOFHI-GDBMZVCRSA-N 1 1 272.392 2.509 20 30 CFEDMO C#CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCCC1 ZINC000778948239 628341274 /nfs/dbraw/zinc/34/12/74/628341274.db2.gz KRRCXDHIZKQABW-UHFFFAOYSA-N 1 1 288.347 2.981 20 30 CFEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC=CCC2)cc1 ZINC000778968371 628342408 /nfs/dbraw/zinc/34/24/08/628342408.db2.gz ZQMFGVSEYRSCLD-MRXNPFEDSA-N 1 1 297.402 2.892 20 30 CFEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC=CCC2)cc1 ZINC000778968371 628342410 /nfs/dbraw/zinc/34/24/10/628342410.db2.gz ZQMFGVSEYRSCLD-MRXNPFEDSA-N 1 1 297.402 2.892 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCCOC[C@H]1C ZINC000779158343 628356688 /nfs/dbraw/zinc/35/66/88/628356688.db2.gz OHBVJMFFYPPQBO-CYBMUJFWSA-N 1 1 293.794 2.963 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCCOC[C@H]1C ZINC000779158343 628356693 /nfs/dbraw/zinc/35/66/93/628356693.db2.gz OHBVJMFFYPPQBO-CYBMUJFWSA-N 1 1 293.794 2.963 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCOC[C@H](C)C1 ZINC000779158808 628356977 /nfs/dbraw/zinc/35/69/77/628356977.db2.gz YLPUUHRUOPVFRT-CYBMUJFWSA-N 1 1 293.794 2.820 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCOC[C@H](C)C1 ZINC000779158808 628356979 /nfs/dbraw/zinc/35/69/79/628356979.db2.gz YLPUUHRUOPVFRT-CYBMUJFWSA-N 1 1 293.794 2.820 20 30 CFEDMO C[NH+]1CCN(N=Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000779751493 628399498 /nfs/dbraw/zinc/39/94/98/628399498.db2.gz FCFCYRVCBAUXEX-UHFFFAOYSA-N 1 1 285.347 2.653 20 30 CFEDMO Cc1nc2c(s1)[C@H]([NH2+]C[C@@H](C#N)CCC#N)CCC2 ZINC000779752135 628399783 /nfs/dbraw/zinc/39/97/83/628399783.db2.gz IAVUMRWBWSWTMD-VXGBXAGGSA-N 1 1 274.393 2.862 20 30 CFEDMO CC(=NNC[C@@H](C)C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779785359 628403995 /nfs/dbraw/zinc/40/39/95/628403995.db2.gz VFTDMCKAIQJGEI-YOEHRIQHSA-N 1 1 284.407 2.634 20 30 CFEDMO C[C@@H]1C[NH+]=C(NN=C2CCc3c2ccc(Cl)c3Cl)N1 ZINC000779799493 628407504 /nfs/dbraw/zinc/40/75/04/628407504.db2.gz TWQQMUZPTRBOQG-SSDOTTSWSA-N 1 1 297.189 2.581 20 30 CFEDMO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(Cl)c(Cl)c1 ZINC000779799076 628407655 /nfs/dbraw/zinc/40/76/55/628407655.db2.gz SCSYLUMOEHZTHP-ZETCQYMHSA-N 1 1 285.178 2.655 20 30 CFEDMO C=CCOc1ccc(C=NNc2cc[nH+]cc2)cc1OC ZINC000779809181 628408522 /nfs/dbraw/zinc/40/85/22/628408522.db2.gz GJKPWKHJTNFZKO-UHFFFAOYSA-N 1 1 283.331 2.523 20 30 CFEDMO C(=NNc1cc[nH+]cc1)c1ccc(Oc2cnccn2)cc1 ZINC000779809366 628408592 /nfs/dbraw/zinc/40/85/92/628408592.db2.gz XNYZBGBARNKDCT-UHFFFAOYSA-N 1 1 291.314 2.532 20 30 CFEDMO Cc1cc(C)c2c(c1)OCCC2=NNc1cc[nH+]cc1 ZINC000779809115 628408597 /nfs/dbraw/zinc/40/85/97/628408597.db2.gz FCZIXGLFWAGZGP-UHFFFAOYSA-N 1 1 267.332 2.719 20 30 CFEDMO COc1ccc(C=NNc2cc[nH+]cc2)c(Cl)c1OC ZINC000779810468 628409231 /nfs/dbraw/zinc/40/92/31/628409231.db2.gz CGTIXIOPHGOKSO-UHFFFAOYSA-N 1 1 291.738 2.620 20 30 CFEDMO COc1cc(C=NNc2cc[nH+]cc2)ccc1OC(F)F ZINC000779809653 628409451 /nfs/dbraw/zinc/40/94/51/628409451.db2.gz ROLBPTHWPFELSK-UHFFFAOYSA-N 1 1 293.273 2.560 20 30 CFEDMO N#Cc1ccc2c(c1)CCCC2=NNc1cc[nH+]cc1 ZINC000779811763 628409843 /nfs/dbraw/zinc/40/98/43/628409843.db2.gz UOILKIBZKLMTQH-UHFFFAOYSA-N 1 1 262.316 2.528 20 30 CFEDMO Fc1ccc(C=NNc2cc[nH+]cc2)cc1Br ZINC000779812038 628409935 /nfs/dbraw/zinc/40/99/35/628409935.db2.gz XEWGYDWBAAHPPO-UHFFFAOYSA-N 1 1 294.127 2.851 20 30 CFEDMO c1cc(NN=C2CCCOc3cc4c(cc32)CCC4)cc[nH+]1 ZINC000779812042 628409982 /nfs/dbraw/zinc/40/99/82/628409982.db2.gz XJONONZCIRPYMA-UHFFFAOYSA-N 1 1 293.370 2.981 20 30 CFEDMO CC1(C#N)CC[NH+](Cn2nccc2-c2cccnc2)CC1 ZINC000779880147 628415994 /nfs/dbraw/zinc/41/59/94/628415994.db2.gz UHWHHOUKBHAFQY-UHFFFAOYSA-N 1 1 281.363 2.528 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000852100684 634654990 /nfs/dbraw/zinc/65/49/90/634654990.db2.gz JCSZPQHXABDEMZ-WBVHZDCISA-N 1 1 288.366 2.537 20 30 CFEDMO CC(=NN[C@@H]1CCCOC1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000780260392 628446824 /nfs/dbraw/zinc/44/68/24/628446824.db2.gz LVTDPXJIPVOOKQ-MRXNPFEDSA-N 1 1 298.390 2.673 20 30 CFEDMO C#C[C@](C)(CC)[NH2+]Cc1cn(-c2ccc(Cl)cc2)nn1 ZINC000852103155 634657655 /nfs/dbraw/zinc/65/76/55/634657655.db2.gz YUDLMNCNJXUYIW-OAHLLOKOSA-N 1 1 288.782 2.812 20 30 CFEDMO CCOc1ccccc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780553560 628475143 /nfs/dbraw/zinc/47/51/43/628475143.db2.gz FYGPOSVBPIAYCH-UHFFFAOYSA-N 1 1 267.332 2.642 20 30 CFEDMO C#C[C@](C)(CC)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000852103859 634659355 /nfs/dbraw/zinc/65/93/55/634659355.db2.gz TZQZNYPHICLVSS-CQSZACIVSA-N 1 1 280.299 2.634 20 30 CFEDMO C#CCCN1CC[NH+](Cc2ccccc2SC)CC1 ZINC000781337220 628541010 /nfs/dbraw/zinc/54/10/10/628541010.db2.gz ALKPXEYWGPIISI-UHFFFAOYSA-N 1 1 274.433 2.549 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000781532396 628557261 /nfs/dbraw/zinc/55/72/61/628557261.db2.gz PWGRTEXTCNWOMK-AWEZNQCLSA-N 1 1 295.329 2.902 20 30 CFEDMO CN(C)c1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccn1 ZINC000782174881 628609725 /nfs/dbraw/zinc/60/97/25/628609725.db2.gz NJBIZSMACMJDOD-UHFFFAOYSA-N 1 1 280.375 2.651 20 30 CFEDMO COc1ccc(N=NC2CC[N@H+]3CCC[C@H]23)cc1Cl ZINC000782232666 628617781 /nfs/dbraw/zinc/61/77/81/628617781.db2.gz STBNYHYIRXDABY-CYBMUJFWSA-N 1 1 279.771 2.985 20 30 CFEDMO C#CC[N@@H+](Cc1nc(N)c2ccccc2n1)C1CCCCC1 ZINC000782913812 628663647 /nfs/dbraw/zinc/66/36/47/628663647.db2.gz UPXFLQPKQKUQSZ-UHFFFAOYSA-N 1 1 294.402 2.980 20 30 CFEDMO C#CC[N@H+](Cc1nc(N)c2ccccc2n1)C1CCCCC1 ZINC000782913812 628663649 /nfs/dbraw/zinc/66/36/49/628663649.db2.gz UPXFLQPKQKUQSZ-UHFFFAOYSA-N 1 1 294.402 2.980 20 30 CFEDMO C#CC[C@@H](OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC000810605307 628711787 /nfs/dbraw/zinc/71/17/87/628711787.db2.gz HCQDNEJGALZQJF-CZUORRHYSA-N 1 1 283.387 2.790 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000783737565 628739938 /nfs/dbraw/zinc/73/99/38/628739938.db2.gz NOKWRTWUKJYOBM-ZNMIVQPWSA-N 1 1 273.376 2.696 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000805753313 628749674 /nfs/dbraw/zinc/74/96/74/628749674.db2.gz 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628937324 /nfs/dbraw/zinc/93/73/24/628937324.db2.gz FBSGISOMCIRWNL-UHFFFAOYSA-N 1 1 294.449 2.685 20 30 CFEDMO C=CCCOC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000786813977 628980288 /nfs/dbraw/zinc/98/02/88/628980288.db2.gz BGDVEEKXPALPTB-UHFFFAOYSA-N 1 1 259.349 2.554 20 30 CFEDMO C=C(C)COC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000786812099 628980348 /nfs/dbraw/zinc/98/03/48/628980348.db2.gz CYBSEAYKJHQWPD-UHFFFAOYSA-N 1 1 259.349 2.554 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)C[C@H](O)COc1c(C)ccc(C)c1C ZINC000787997959 629047299 /nfs/dbraw/zinc/04/72/99/629047299.db2.gz TWGZOSHYHGPWNA-INIZCTEOSA-N 1 1 289.419 2.695 20 30 CFEDMO CC(=[NH+]NCCc1ccncc1)c1ccc(N)cc1Cl ZINC000789096740 629126365 /nfs/dbraw/zinc/12/63/65/629126365.db2.gz IDRCFDOQAQWDLI-UHFFFAOYSA-N 1 1 288.782 2.874 20 30 CFEDMO C#CC[N@@H+](CC#CC)CC[C@H](C)OCc1ccccc1 ZINC000789321790 629147810 /nfs/dbraw/zinc/14/78/10/629147810.db2.gz KSUDMLHUILVQLA-KRWDZBQOSA-N 1 1 269.388 2.940 20 30 CFEDMO CC[C@H](C)[N@@H+](CC)Cc1nc2ccccc2c(=O)n1CC#N 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292.314 2.616 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000852318987 634719118 /nfs/dbraw/zinc/71/91/18/634719118.db2.gz DKXPOCQRAXPYNH-RISCZKNCSA-N 1 1 280.318 2.624 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000852318987 634719125 /nfs/dbraw/zinc/71/91/25/634719125.db2.gz DKXPOCQRAXPYNH-RISCZKNCSA-N 1 1 280.318 2.624 20 30 CFEDMO CC(C)(C)OC(=O)NCCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319319 634719517 /nfs/dbraw/zinc/71/95/17/634719517.db2.gz KCCXRFVWJMWNFW-CYBMUJFWSA-N 1 1 281.400 2.527 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)COC3)C1 ZINC000852319195 634719718 /nfs/dbraw/zinc/71/97/18/634719718.db2.gz HVFVUVBHIAPQMY-ZDUSSCGKSA-N 1 1 256.349 2.842 20 30 CFEDMO COc1cccc(/C=N\C[C@@H]2[N@@H+](C)CCCC2(C)C)c1O ZINC000790599069 629251119 /nfs/dbraw/zinc/25/11/19/629251119.db2.gz RTGSKZMXMYTEDZ-GZQZNAIASA-N 1 1 290.407 2.940 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](CCC(=O)OCc2ccccc2)C1 ZINC000852319751 634720700 /nfs/dbraw/zinc/72/07/00/634720700.db2.gz 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VOCZFMKHUFHUDJ-UHFFFAOYSA-N 1 1 297.354 2.988 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2CN2CCCC2)cc1 ZINC000809553822 631233622 /nfs/dbraw/zinc/23/36/22/631233622.db2.gz FIAMXUJOUUYZKH-SFHVURJKSA-N 1 1 268.404 2.728 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2CN2CCCC2)cc1 ZINC000809553822 631233625 /nfs/dbraw/zinc/23/36/25/631233625.db2.gz FIAMXUJOUUYZKH-SFHVURJKSA-N 1 1 268.404 2.728 20 30 CFEDMO COc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)CC#N)cc1 ZINC000809571096 631237324 /nfs/dbraw/zinc/23/73/24/631237324.db2.gz JQMSXIHLMGXOFU-WBVHZDCISA-N 1 1 288.391 2.887 20 30 CFEDMO CCn1ccc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)n1 ZINC000840839971 631237503 /nfs/dbraw/zinc/23/75/03/631237503.db2.gz BXDXHXREQCKYCJ-CYBMUJFWSA-N 1 1 284.363 2.656 20 30 CFEDMO C#Cc1ccc(C[NH+]2CCN(c3ncc(C)s3)CC2)cc1 ZINC000809579619 631239667 /nfs/dbraw/zinc/23/96/67/631239667.db2.gz DCYOQDZVVJWCAW-UHFFFAOYSA-N 1 1 297.427 2.755 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000809595800 631243298 /nfs/dbraw/zinc/24/32/98/631243298.db2.gz QOCJRPFXZUDIFC-ZWKOTPCHSA-N 1 1 269.388 2.916 20 30 CFEDMO C#Cc1ccc(CNC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000809606258 631244768 /nfs/dbraw/zinc/24/47/68/631244768.db2.gz OATXIIPLLTZBAY-JKSUJKDBSA-N 1 1 270.420 2.878 20 30 CFEDMO C#Cc1ccc(CNC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000809606258 631244775 /nfs/dbraw/zinc/24/47/75/631244775.db2.gz OATXIIPLLTZBAY-JKSUJKDBSA-N 1 1 270.420 2.878 20 30 CFEDMO C#Cc1ccc(CNCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000809605632 631245065 /nfs/dbraw/zinc/24/50/65/631245065.db2.gz MCHRIHVILQAQHE-HNNXBMFYSA-N 1 1 256.393 2.632 20 30 CFEDMO C#Cc1ccc(CNCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000809605632 631245068 /nfs/dbraw/zinc/24/50/68/631245068.db2.gz MCHRIHVILQAQHE-HNNXBMFYSA-N 1 1 256.393 2.632 20 30 CFEDMO C#Cc1ccc(C[NH2+][C@H](C)c2nnc3n2CCCCC3)cc1 ZINC000809604244 631245142 /nfs/dbraw/zinc/24/51/42/631245142.db2.gz HXMJOIQUTNCCPJ-CQSZACIVSA-N 1 1 294.402 2.837 20 30 CFEDMO C#Cc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cc1 ZINC000809634402 631252838 /nfs/dbraw/zinc/25/28/38/631252838.db2.gz BDSBMUZOACJHME-SJORKVTESA-N 1 1 257.377 2.651 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1Cc1cnc([C@@H](C)O)s1 ZINC000809656468 631256908 /nfs/dbraw/zinc/25/69/08/631256908.db2.gz WQQWRPMBKZJAND-MNOVXSKESA-N 1 1 252.383 2.737 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cnc([C@@H](C)O)s1 ZINC000809656468 631256911 /nfs/dbraw/zinc/25/69/11/631256911.db2.gz WQQWRPMBKZJAND-MNOVXSKESA-N 1 1 252.383 2.737 20 30 CFEDMO C#C[C@@H](C)[NH2+]Cc1csc(-c2ccc(OC)cc2)n1 ZINC000809682937 631259009 /nfs/dbraw/zinc/25/90/09/631259009.db2.gz IXBDHAYHNBZOJV-LLVKDONJSA-N 1 1 272.373 2.930 20 30 CFEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000809693122 631265365 /nfs/dbraw/zinc/26/53/65/631265365.db2.gz OHWILGDMZJRZSA-XPKDYRNWSA-N 1 1 274.364 2.587 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000840955808 631282355 /nfs/dbraw/zinc/28/23/55/631282355.db2.gz ZUGBUSDFRGAJLG-KRWDZBQOSA-N 1 1 255.361 2.669 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000840955808 631282365 /nfs/dbraw/zinc/28/23/65/631282365.db2.gz ZUGBUSDFRGAJLG-KRWDZBQOSA-N 1 1 255.361 2.669 20 30 CFEDMO C#CCOc1ccc(C[N@H+](C)[C@@H](CO)CC(C)C)cc1 ZINC000809767661 631284547 /nfs/dbraw/zinc/28/45/47/631284547.db2.gz QKVPWXCPNFCSKQ-MRXNPFEDSA-N 1 1 275.392 2.537 20 30 CFEDMO C#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000840958358 631285114 /nfs/dbraw/zinc/28/51/14/631285114.db2.gz PYLQKBWFBKHREH-OALUTQOASA-N 1 1 277.367 2.976 20 30 CFEDMO C#Cc1cccc(NC(=O)N[C@H](C)C[N@H+](C)CCCC)c1 ZINC000809872319 631296614 /nfs/dbraw/zinc/29/66/14/631296614.db2.gz YYFVKZBQAHZZJG-CQSZACIVSA-N 1 1 287.407 2.910 20 30 CFEDMO C#Cc1ccccc1CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000810125066 631327623 /nfs/dbraw/zinc/32/76/23/631327623.db2.gz NMLAGYJZMMHBAH-HZPDHXFCSA-N 1 1 298.430 2.590 20 30 CFEDMO C#CC[C@H](OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000810609630 631402206 /nfs/dbraw/zinc/40/22/06/631402206.db2.gz NHRILHBABWUNOA-BBRMVZONSA-N 1 1 281.371 2.544 20 30 CFEDMO Clc1ccc([C@@H]2CCCC2N=NC2=[NH+]CCN2)cc1 ZINC000841660457 631446152 /nfs/dbraw/zinc/44/61/52/631446152.db2.gz YKFXTWKKOWQCGQ-LBPRGKRZSA-N 1 1 276.771 2.512 20 30 CFEDMO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841748112 631464246 /nfs/dbraw/zinc/46/42/46/631464246.db2.gz GWQZUSIFSGHLID-WDEREUQCSA-N 1 1 269.772 2.881 20 30 CFEDMO C[C@H]1C[C@H](NCC2(C#N)CCC2)C[N@H+]1Cc1ccccc1 ZINC000841898314 631491424 /nfs/dbraw/zinc/49/14/24/631491424.db2.gz MQLWYOGKKNDXME-RDJZCZTQSA-N 1 1 283.419 2.933 20 30 CFEDMO C[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CN1Cc1ccccc1 ZINC000841898314 631491427 /nfs/dbraw/zinc/49/14/27/631491427.db2.gz MQLWYOGKKNDXME-RDJZCZTQSA-N 1 1 283.419 2.933 20 30 CFEDMO CCCCCCCCC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1 ZINC000104595288 631498982 /nfs/dbraw/zinc/49/89/82/631498982.db2.gz FHJDKBUDHMLYMU-HZPDHXFCSA-N 1 1 298.471 2.962 20 30 CFEDMO C=C(CC)COC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000811444594 631564368 /nfs/dbraw/zinc/56/43/68/631564368.db2.gz JGEUSNJNXVYHMH-CQSZACIVSA-N 1 1 257.349 2.708 20 30 CFEDMO C[N@@H+]1CCCC[C@H]1C(=O)OCCC1(C#N)CCCCC1 ZINC000840235439 631585989 /nfs/dbraw/zinc/58/59/89/631585989.db2.gz KWQQGZUWXXIICT-AWEZNQCLSA-N 1 1 278.396 2.878 20 30 CFEDMO C[N@H+]1CCCC[C@H]1C(=O)OCCC1(C#N)CCCCC1 ZINC000840235439 631585996 /nfs/dbraw/zinc/58/59/96/631585996.db2.gz KWQQGZUWXXIICT-AWEZNQCLSA-N 1 1 278.396 2.878 20 30 CFEDMO C(CNN=C1CCC2(CCCC2)CC1)C[NH+]1CCOCC1 ZINC000811648498 631592469 /nfs/dbraw/zinc/59/24/69/631592469.db2.gz SPAJEJIHLZOOCR-UHFFFAOYSA-N 1 1 293.455 2.789 20 30 CFEDMO C[C@@H](COc1ccccc1)NN=C1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000811667305 631602335 /nfs/dbraw/zinc/60/23/35/631602335.db2.gz RQRNQYNSZTWYJU-UONOGXRCSA-N 1 1 287.407 2.656 20 30 CFEDMO C[C@@H](COc1ccccc1)NN=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000811667305 631602339 /nfs/dbraw/zinc/60/23/39/631602339.db2.gz RQRNQYNSZTWYJU-UONOGXRCSA-N 1 1 287.407 2.656 20 30 CFEDMO Cl/C=C/CO[NH+]=Cc1ccccc1N1CCOCC1 ZINC000811671363 631604326 /nfs/dbraw/zinc/60/43/26/631604326.db2.gz DEHOIZIIRBYFCP-PWCPDNTMSA-N 1 1 280.755 2.626 20 30 CFEDMO CC1(C)CC(=[NH+]NC23CC(C2)C3)c2cc(N)ccc2O1 ZINC000842544697 631659919 /nfs/dbraw/zinc/65/99/19/631659919.db2.gz XEXXEPQRVKSTAB-UHFFFAOYSA-N 1 1 271.364 2.676 20 30 CFEDMO C[C@H]1C(=NNC23CC(C2)C3)CC[N@H+]1Cc1ccccc1 ZINC000842543630 631660503 /nfs/dbraw/zinc/66/05/03/631660503.db2.gz KUHLATXIGQREFQ-KTAKPFMOSA-N 1 1 269.392 2.779 20 30 CFEDMO C[C@H]1C(=NNC23CC(C2)C3)CC[N@@H+]1Cc1ccccc1 ZINC000842543630 631660505 /nfs/dbraw/zinc/66/05/05/631660505.db2.gz KUHLATXIGQREFQ-KTAKPFMOSA-N 1 1 269.392 2.779 20 30 CFEDMO CCCON=C1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000842557692 631663739 /nfs/dbraw/zinc/66/37/39/631663739.db2.gz QGFCIKAVCVLSDT-ZDUSSCGKSA-N 1 1 256.390 2.537 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](CN2C[C@H](CC(C)(C)C)CC2=O)C1 ZINC000842628812 631684875 /nfs/dbraw/zinc/68/48/75/631684875.db2.gz GWFPOQONLGYMBS-HOTGVXAUSA-N 1 1 290.451 2.964 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000842629460 631685328 /nfs/dbraw/zinc/68/53/28/631685328.db2.gz NJRIVTCFCIGQRE-CYBMUJFWSA-N 1 1 289.375 2.645 20 30 CFEDMO C#CC1CC[NH+](CN2C(=O)[C@H](C)[C@@H]2c2ccccc2)CC1 ZINC000842633168 631686900 /nfs/dbraw/zinc/68/69/00/631686900.db2.gz BYQWIGJSIXKDPU-RHSMWYFYSA-N 1 1 282.387 2.509 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+](CC)[C@@H]2CCOC2)c1O ZINC000812297358 631687138 /nfs/dbraw/zinc/68/71/38/631687138.db2.gz ZRRBXSQHVGPJIY-OAHLLOKOSA-N 1 1 291.391 2.740 20 30 CFEDMO C#Cc1ccccc1CC(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000842828177 631752897 /nfs/dbraw/zinc/75/28/97/631752897.db2.gz BGFCCDOFYHDHQG-MRXNPFEDSA-N 1 1 299.414 2.874 20 30 CFEDMO C#Cc1ccccc1CC(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000842828176 631753286 /nfs/dbraw/zinc/75/32/86/631753286.db2.gz BGFCCDOFYHDHQG-INIZCTEOSA-N 1 1 299.414 2.874 20 30 CFEDMO C=C[C@@](C)(CCOC)C(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000842828691 631754536 /nfs/dbraw/zinc/75/45/36/631754536.db2.gz BNIGFNJYODNOTI-RDJZCZTQSA-N 1 1 297.439 2.879 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H](COC(=O)c2cccc(C#N)c2)C1 ZINC000842833471 631757842 /nfs/dbraw/zinc/75/78/42/631757842.db2.gz KEIKXHWTFUXQCG-OAHLLOKOSA-N 1 1 286.375 2.835 20 30 CFEDMO C=CCC[C@H](O)C[N@H+](CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812847088 631795041 /nfs/dbraw/zinc/79/50/41/631795041.db2.gz ACSJRQUUYQHAGP-XIRDDKMYSA-N 1 1 277.408 2.758 20 30 CFEDMO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCOC1 ZINC000812879890 631801162 /nfs/dbraw/zinc/80/11/62/631801162.db2.gz VOBYYIXKFFEBLW-AWEZNQCLSA-N 1 1 294.782 2.853 20 30 CFEDMO C#CC[N@H+](CC(=O)N(CC(C)C)C1CC1)C1CCCC1 ZINC000155902550 650036027 /nfs/dbraw/zinc/03/60/27/650036027.db2.gz JLZWMGAXHOHKCA-UHFFFAOYSA-N 1 1 276.424 2.511 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccncc3)nc2C)C1 ZINC000843423794 631952083 /nfs/dbraw/zinc/95/20/83/631952083.db2.gz RFASYBZTJCGBLH-INIZCTEOSA-N 1 1 294.402 2.811 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cn(-c3ccncc3)nc2C)C1 ZINC000843423794 631952084 /nfs/dbraw/zinc/95/20/84/631952084.db2.gz RFASYBZTJCGBLH-INIZCTEOSA-N 1 1 294.402 2.811 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](CC(C)(C)CC(=O)OCC)C1 ZINC000843422670 631952282 /nfs/dbraw/zinc/95/22/82/631952282.db2.gz HYMOUWQAFGUORF-AWEZNQCLSA-N 1 1 265.397 2.701 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000843423887 631953037 /nfs/dbraw/zinc/95/30/37/631953037.db2.gz LJTYTACJBIMXDR-LBPRGKRZSA-N 1 1 260.406 2.867 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000843424110 631953411 /nfs/dbraw/zinc/95/34/11/631953411.db2.gz NZJADCCPAFWPSF-AWEZNQCLSA-N 1 1 267.376 2.809 20 30 CFEDMO CCCCCCCCOCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000814142976 632017239 /nfs/dbraw/zinc/01/72/39/632017239.db2.gz IHZKQQYEAXKUSC-CVEARBPZSA-N 1 1 296.455 2.526 20 30 CFEDMO CCCCCCCCOCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000814142979 632018818 /nfs/dbraw/zinc/01/88/18/632018818.db2.gz IHZKQQYEAXKUSC-JKSUJKDBSA-N 1 1 296.455 2.526 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178111 632024242 /nfs/dbraw/zinc/02/42/42/632024242.db2.gz CERGBTCEPYWZKA-SFHVURJKSA-N 1 1 299.414 2.947 20 30 CFEDMO C#CC1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000843705173 632033043 /nfs/dbraw/zinc/03/30/43/632033043.db2.gz VBLMXEJAUMPGKG-QGZVFWFLSA-N 1 1 284.403 2.551 20 30 CFEDMO C#C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000843967595 632086161 /nfs/dbraw/zinc/08/61/61/632086161.db2.gz OBBPPAHVOKIGLT-QZTJIDSGSA-N 1 1 296.414 2.884 20 30 CFEDMO CCCN(C(=O)/C=C/c1ccccc1C#N)[C@@H]1CC[N@@H+](C)C1 ZINC000843991090 632089745 /nfs/dbraw/zinc/08/97/45/632089745.db2.gz IGNJTTVMYHTTDU-KBOKABMXSA-N 1 1 297.402 2.514 20 30 CFEDMO CCC(=[NH+]N[C@@H](C)CC#N)c1ccc(Cl)c(N)c1 ZINC000814881413 632146684 /nfs/dbraw/zinc/14/66/84/632146684.db2.gz ODJFFUSMNBWDEO-VIFPVBQESA-N 1 1 264.760 2.928 20 30 CFEDMO CCC(=[NH+]NCCOCC(F)(F)F)c1cccc(N)c1 ZINC000814890642 632151007 /nfs/dbraw/zinc/15/10/07/632151007.db2.gz ZOYFZBVCVOUBNK-UHFFFAOYSA-N 1 1 289.301 2.551 20 30 CFEDMO COc1ccc(O)c(/C=N\CCC[N@@H+](C)CC(C)C)c1 ZINC000844272128 632151056 /nfs/dbraw/zinc/15/10/56/632151056.db2.gz VHEMPRUOSOUEEM-BOPFTXTBSA-N 1 1 278.396 2.798 20 30 CFEDMO CC(C)CN[NH+]=C1CC(C)(C)Cc2nc(N)sc21 ZINC000814892014 632151890 /nfs/dbraw/zinc/15/18/90/632151890.db2.gz GEULVFRLQVPSBS-UHFFFAOYSA-N 1 1 266.414 2.647 20 30 CFEDMO C[C@@H]1C(N=Nc2ccncc2)CCC[N@H+]1Cc1ccccc1 ZINC000814899637 632155252 /nfs/dbraw/zinc/15/52/52/632155252.db2.gz GHFBGKMUELVSPV-OAHLLOKOSA-N 1 1 294.402 2.956 20 30 CFEDMO CCC(=[NH+][N-]c1[nH+]ccn1C)c1ccc(Cl)c(N)c1 ZINC000814918442 632164083 /nfs/dbraw/zinc/16/40/83/632164083.db2.gz QDPRZFJXTIHNGW-UHFFFAOYSA-N 1 1 277.759 2.882 20 30 CFEDMO C#CC[N@@H+](C)CCCNc1ncncc1-c1ccccc1 ZINC000814929965 632169320 /nfs/dbraw/zinc/16/93/20/632169320.db2.gz XKYGVTOWAZVQHK-UHFFFAOYSA-N 1 1 280.375 2.511 20 30 CFEDMO C#CC[N@@H+](C)CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000814929728 632169344 /nfs/dbraw/zinc/16/93/44/632169344.db2.gz PKPFZWNDWYTBNW-UHFFFAOYSA-N 1 1 298.346 2.510 20 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N#CC1(CC(=O)O[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000816011925 632353556 /nfs/dbraw/zinc/35/35/56/632353556.db2.gz CSNWOOJBFCOGLT-MRXNPFEDSA-N 1 1 298.386 2.888 20 30 CFEDMO C#CC[N@@H+](C)CCCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000845554123 632462269 /nfs/dbraw/zinc/46/22/69/632462269.db2.gz ALYMYUQGKUDOHK-UHFFFAOYSA-N 1 1 298.346 2.510 20 30 CFEDMO C=CCc1cc(C[N@H+]2C[C@@H](C)[C@@H]2C)cc(OC)c1O ZINC000816650129 632504951 /nfs/dbraw/zinc/50/49/51/632504951.db2.gz VJXFQBPRHNRTRX-NEPJUHHUSA-N 1 1 261.365 2.970 20 30 CFEDMO C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000816649364 632505047 /nfs/dbraw/zinc/50/50/47/632505047.db2.gz YBTJCKQQSSXZLB-UONOGXRCSA-N 1 1 257.381 2.877 20 30 CFEDMO CCCCCCCC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000816750323 632519207 /nfs/dbraw/zinc/51/92/07/632519207.db2.gz LIGLGQVUQGCXFD-HZPDHXFCSA-N 1 1 296.455 2.669 20 30 CFEDMO C=C[C@](C)(CCOC)C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845729546 632536263 /nfs/dbraw/zinc/53/62/63/632536263.db2.gz ATCYQDPQSNWMSZ-CZUORRHYSA-N 1 1 283.412 2.631 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)CCCCCC#N ZINC000845729435 632536528 /nfs/dbraw/zinc/53/65/28/632536528.db2.gz NSAZQNRBNFBPLV-ZDUSSCGKSA-N 1 1 266.385 2.876 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)CCCCCC#N ZINC000845729434 632537038 /nfs/dbraw/zinc/53/70/38/632537038.db2.gz NSAZQNRBNFBPLV-CYBMUJFWSA-N 1 1 266.385 2.876 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)/C=C\c1ccccc1C#N ZINC000845739466 632546543 /nfs/dbraw/zinc/54/65/43/632546543.db2.gz HIDHQPICLFWMQZ-HLRDLLSLSA-N 1 1 298.386 2.987 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000817280570 632593085 /nfs/dbraw/zinc/59/30/85/632593085.db2.gz APGONONIJNKHLT-GHMZBOCLSA-N 1 1 264.291 2.579 20 30 CFEDMO C#CCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C ZINC000817291540 632596511 /nfs/dbraw/zinc/59/65/11/632596511.db2.gz ILVVWLDLOZJABP-ZNMIVQPWSA-N 1 1 294.439 2.881 20 30 CFEDMO Cc1nc(F)ccc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000846008832 632611954 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280.393 2.577 20 30 CFEDMO C#CCCCCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000818172091 632808261 /nfs/dbraw/zinc/80/82/61/632808261.db2.gz XXLNXDHMEGQPAQ-KRWDZBQOSA-N 1 1 276.424 2.514 20 30 CFEDMO C#CCCCCCC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000818172093 632808484 /nfs/dbraw/zinc/80/84/84/632808484.db2.gz XXLNXDHMEGQPAQ-QGZVFWFLSA-N 1 1 276.424 2.514 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]Cc1cncn1C(C)C ZINC000818187591 632809301 /nfs/dbraw/zinc/80/93/01/632809301.db2.gz OIKZOTHXTIXZTG-UHFFFAOYSA-N 1 1 283.375 2.766 20 30 CFEDMO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccn1 ZINC000846844323 632819040 /nfs/dbraw/zinc/81/90/40/632819040.db2.gz ATAHCYZWRQOMLV-MRXNPFEDSA-N 1 1 266.348 2.835 20 30 CFEDMO C=CC[N@@H+](CCOC)Cc1cnc(Cl)c(F)c1 ZINC000846872257 632827979 /nfs/dbraw/zinc/82/79/79/632827979.db2.gz MIMHUGRLNIDCNU-UHFFFAOYSA-N 1 1 258.724 2.509 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1cnc(Cl)c(F)c1 ZINC000846872257 632827982 /nfs/dbraw/zinc/82/79/82/632827982.db2.gz MIMHUGRLNIDCNU-UHFFFAOYSA-N 1 1 258.724 2.509 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H](CC)c2ccc(F)cc2O)nn1 ZINC000818346172 632834528 /nfs/dbraw/zinc/83/45/28/632834528.db2.gz AIOMBYWOVGSELI-CQSZACIVSA-N 1 1 290.342 2.550 20 30 CFEDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000818355481 632837046 /nfs/dbraw/zinc/83/70/46/632837046.db2.gz GPZPIPMWODTFFC-GMXVVIOVSA-N 1 1 288.347 2.522 20 30 CFEDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000818355483 632837374 /nfs/dbraw/zinc/83/73/74/632837374.db2.gz GPZPIPMWODTFFC-NTZNESFSSA-N 1 1 288.347 2.522 20 30 CFEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@H](C)[C@H](O)c1ccccc1 ZINC000846913290 632843584 /nfs/dbraw/zinc/84/35/84/632843584.db2.gz RUFLFZXYBXBQGE-KDOFPFPSSA-N 1 1 295.386 2.897 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](CC2(Br)CC2)C1 ZINC000847002105 632876079 /nfs/dbraw/zinc/87/60/79/632876079.db2.gz FLDIPECYPOXNFG-LLVKDONJSA-N 1 1 256.187 2.649 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000846989360 632870122 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C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2CC)C1 ZINC000847026371 632891895 /nfs/dbraw/zinc/89/18/95/632891895.db2.gz YFXWAAXAJZQMCW-OAHLLOKOSA-N 1 1 284.403 2.841 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2CC)C1 ZINC000847026371 632891902 /nfs/dbraw/zinc/89/19/02/632891902.db2.gz YFXWAAXAJZQMCW-OAHLLOKOSA-N 1 1 284.403 2.841 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2nc3ccccc3nc2C)C1 ZINC000847025787 632892606 /nfs/dbraw/zinc/89/26/06/632892606.db2.gz DGYHVAOEQIILOB-AWEZNQCLSA-N 1 1 265.360 2.783 20 30 CFEDMO CCCCCCCCC[N@H+]1CCn2nncc2C1 ZINC000847030664 632893606 /nfs/dbraw/zinc/89/36/06/632893606.db2.gz ZOHZEPPQSLVKSG-UHFFFAOYSA-N 1 1 250.390 2.844 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccc(CC)cc2)C1 ZINC000847030753 632895136 /nfs/dbraw/zinc/89/51/36/632895136.db2.gz RVEVRAYZASCTAY-NVXWUHKLSA-N 1 1 298.430 2.771 20 30 CFEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)C1 ZINC000847031868 632896102 /nfs/dbraw/zinc/89/61/02/632896102.db2.gz VDXQUVGSNLVUCC-BZUAXINKSA-N 1 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C#C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000848494298 633267512 /nfs/dbraw/zinc/26/75/12/633267512.db2.gz UOGBIKWAWUYGFC-ZDUSSCGKSA-N 1 1 255.361 2.726 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000848552938 633287779 /nfs/dbraw/zinc/28/77/79/633287779.db2.gz GSXNTTNQBOFEGA-MRXNPFEDSA-N 1 1 281.359 2.520 20 30 CFEDMO Cc1cccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)n1 ZINC000848620925 633299626 /nfs/dbraw/zinc/29/96/26/633299626.db2.gz HLCNVFSCHBWDAH-NSHDSACASA-N 1 1 271.324 2.524 20 30 CFEDMO Cc1ccnc(-c2noc([C@H]([NH3+])CCCCC#N)n2)c1 ZINC000848621465 633300316 /nfs/dbraw/zinc/30/03/16/633300316.db2.gz MNQKOAQKJHLSEY-LLVKDONJSA-N 1 1 271.324 2.524 20 30 CFEDMO CCc1cnccc1-c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848624057 633302009 /nfs/dbraw/zinc/30/20/09/633302009.db2.gz PSHRMYXCOUBGFT-ZDUSSCGKSA-N 1 1 285.351 2.778 20 30 CFEDMO C#C[C@@H]1CCCN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000848748813 633333420 /nfs/dbraw/zinc/33/34/20/633333420.db2.gz JRLSWDAJRYMRJF-OAHLLOKOSA-N 1 1 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ZINC000850137246 633853773 /nfs/dbraw/zinc/85/37/73/633853773.db2.gz MEMYPVMCFPVXKD-UHFFFAOYSA-N 1 1 299.422 2.518 20 30 CFEDMO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cc(C#N)ccc1F ZINC000850161360 633863022 /nfs/dbraw/zinc/86/30/22/633863022.db2.gz DWYLXHBFJMQBRO-UHFFFAOYSA-N 1 1 298.365 2.988 20 30 CFEDMO C=CCCn1cc(C[NH2+]Cc2c(C)cccc2C)nn1 ZINC000850193976 633882520 /nfs/dbraw/zinc/88/25/20/633882520.db2.gz RQILMVILVHARMW-UHFFFAOYSA-N 1 1 270.380 2.761 20 30 CFEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)O[C@H](C)CC(C)(C)C#N ZINC000851207098 634271320 /nfs/dbraw/zinc/27/13/20/634271320.db2.gz SNHYDXBJAWPLQW-CHWSQXEVSA-N 1 1 266.385 2.732 20 30 CFEDMO CC[N@H+]1CCCC[C@@H]1C(=O)O[C@H](C)CC(C)(C)C#N ZINC000851207098 634271326 /nfs/dbraw/zinc/27/13/26/634271326.db2.gz SNHYDXBJAWPLQW-CHWSQXEVSA-N 1 1 266.385 2.732 20 30 CFEDMO CC(C)Cc1ccc([C@@H](C)C(C)N=NC2=[NH+]CCN2)cc1 ZINC000853357363 634982795 /nfs/dbraw/zinc/98/27/95/634982795.db2.gz FELKHTIAIXUQSP-ZDUSSCGKSA-N 1 1 286.423 2.913 20 30 CFEDMO CC(=[NH+]N1CCCC[C@@H]1C)c1cc([N+](=O)[O-])ccc1N ZINC000853381340 634987960 /nfs/dbraw/zinc/98/79/60/634987960.db2.gz ARLLQNPCYDYODO-JTQLQIEISA-N 1 1 276.340 2.775 20 30 CFEDMO C=CC[C@H]1CCC[N@@H+](Cn2cc(C(=O)OCC)c(C)n2)C1 ZINC000853536852 635031904 /nfs/dbraw/zinc/03/19/04/635031904.db2.gz JOIXZAAOCFLPQL-AWEZNQCLSA-N 1 1 291.395 2.614 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](Cn2cc(C(=O)OCC)c(C)n2)C1 ZINC000853536852 635031910 /nfs/dbraw/zinc/03/19/10/635031910.db2.gz JOIXZAAOCFLPQL-AWEZNQCLSA-N 1 1 291.395 2.614 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](CN2C[C@@H](C(C)C)CC2=O)C1 ZINC000853536606 635031988 /nfs/dbraw/zinc/03/19/88/635031988.db2.gz FRLFJOXYRRWPBW-CABCVRRESA-N 1 1 264.413 2.737 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@H](CCC)CC1=O ZINC000853597517 635044753 /nfs/dbraw/zinc/04/47/53/635044753.db2.gz AUHAUEVLPOVBLT-KFWWJZLASA-N 1 1 262.397 2.776 20 30 CFEDMO C#CC[C@@H](Cc1ccccc1)Nc1cc(CO)cc(C)[nH+]1 ZINC000853613810 635049446 /nfs/dbraw/zinc/04/94/46/635049446.db2.gz 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/nfs/dbraw/zinc/89/35/81/635893581.db2.gz FBFOKQKGENTIOA-PBHICJAKSA-N 1 1 299.418 2.727 20 30 CFEDMO C[C@H](CC#N)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857087379 635928044 /nfs/dbraw/zinc/92/80/44/635928044.db2.gz VPTVADBZMFMNNK-CJNGLKHVSA-N 1 1 285.391 2.528 20 30 CFEDMO CC[N@H+]1CCC(N=Nc2nc3cccnc3s2)[C@H](C)C1 ZINC000857219069 635948980 /nfs/dbraw/zinc/94/89/80/635948980.db2.gz VUTKZOIBRYKTFF-SNVBAGLBSA-N 1 1 289.408 2.821 20 30 CFEDMO C=CCCNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857306710 635963094 /nfs/dbraw/zinc/96/30/94/635963094.db2.gz HSXAWXCTEONKAG-MRXNPFEDSA-N 1 1 272.392 2.802 20 30 CFEDMO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccccc3C#N)C2)nc1 ZINC000858013933 636114234 /nfs/dbraw/zinc/11/42/34/636114234.db2.gz XYOHWQVMWXPMPM-QGZVFWFLSA-N 1 1 293.370 2.915 20 30 CFEDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3C#N)C2)nc1 ZINC000858013933 636114238 /nfs/dbraw/zinc/11/42/38/636114238.db2.gz XYOHWQVMWXPMPM-QGZVFWFLSA-N 1 1 293.370 2.915 20 30 CFEDMO Cc1ccc(O[C@@H]2CC[N@H+]([C@@H]3CC[C@H](C#N)C3)C2)nc1 ZINC000858039711 636118288 /nfs/dbraw/zinc/11/82/88/636118288.db2.gz HHJSYAKEEHMYJA-RRFJBIMHSA-N 1 1 271.364 2.535 20 30 CFEDMO C=CCOCC[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858050176 636119382 /nfs/dbraw/zinc/11/93/82/636119382.db2.gz DJTJKBDMZOODDI-MRXNPFEDSA-N 1 1 288.391 2.615 20 30 CFEDMO CCCCCCCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000858110420 636128379 /nfs/dbraw/zinc/12/83/79/636128379.db2.gz BSADXWPAKALVPO-AWEZNQCLSA-N 1 1 269.433 2.598 20 30 CFEDMO CCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000858111242 636129679 /nfs/dbraw/zinc/12/96/79/636129679.db2.gz YESCRJPTNOQBMQ-UONOGXRCSA-N 1 1 269.433 2.739 20 30 CFEDMO CCCC[N@@H+](CCO)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000159091786 650246772 /nfs/dbraw/zinc/24/67/72/650246772.db2.gz QTNVHRRMSTYKGS-AWEZNQCLSA-N 1 1 276.380 2.572 20 30 CFEDMO C#CC[C@@H](CCOC)Nc1[nH+]ccc2c(N)cccc21 ZINC000858858411 636360660 /nfs/dbraw/zinc/36/06/60/636360660.db2.gz GTPNSUQGBSAJTI-LBPRGKRZSA-N 1 1 269.348 2.657 20 30 CFEDMO C#CCCOC(=O)N1c2ccc(C)cc2[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000858875312 636366212 /nfs/dbraw/zinc/36/62/12/636366212.db2.gz YOEDHKDMMZMKNE-DOTOQJQBSA-N 1 1 298.386 2.763 20 30 CFEDMO C#CCCOC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000858914840 636381669 /nfs/dbraw/zinc/38/16/69/636381669.db2.gz CPMQBPXKNQHTDR-ZBFHGGJFSA-N 1 1 286.375 2.571 20 30 CFEDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000048068819 650254125 /nfs/dbraw/zinc/25/41/25/650254125.db2.gz HUVSCJHVFSFZFO-GOEBONIOSA-N 1 1 288.391 2.826 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000859336233 636545407 /nfs/dbraw/zinc/54/54/07/636545407.db2.gz MHLVDJWLNSSEJE-LLVKDONJSA-N 1 1 268.282 2.946 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000859336233 636545412 /nfs/dbraw/zinc/54/54/12/636545412.db2.gz MHLVDJWLNSSEJE-LLVKDONJSA-N 1 1 268.282 2.946 20 30 CFEDMO C=CC[C@H]1CC[N@H+](CC(=O)NCCCCCC)C1 ZINC000859443710 636564449 /nfs/dbraw/zinc/56/44/49/636564449.db2.gz 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ZINC000862442167 637382013 /nfs/dbraw/zinc/38/20/13/637382013.db2.gz BCSKABHZWCRBFR-CQSZACIVSA-N 1 1 295.386 2.931 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000862444734 637385218 /nfs/dbraw/zinc/38/52/18/637385218.db2.gz GFAUHHXPUYQRIK-CQSZACIVSA-N 1 1 283.350 2.857 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000862444466 637385479 /nfs/dbraw/zinc/38/54/79/637385479.db2.gz AQUHSGMCLCBXGH-GJZGRUSLSA-N 1 1 255.361 2.898 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(CC=C)c(O)c(OC)c2)C1 ZINC000862444488 637385495 /nfs/dbraw/zinc/38/54/95/637385495.db2.gz AUUAXFCGSBTBSU-CQSZACIVSA-N 1 1 285.387 2.975 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000862445153 637385603 /nfs/dbraw/zinc/38/56/03/637385603.db2.gz NDMAJGQWBKGYTF-CQSZACIVSA-N 1 1 265.360 2.922 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000862444648 637385978 /nfs/dbraw/zinc/38/59/78/637385978.db2.gz FAIXVGFMJPPNNP-HNNXBMFYSA-N 1 1 265.360 2.718 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000862444732 637385991 /nfs/dbraw/zinc/38/59/91/637385991.db2.gz GFAUHHXPUYQRIK-AWEZNQCLSA-N 1 1 283.350 2.857 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000862447428 637388106 /nfs/dbraw/zinc/38/81/06/637388106.db2.gz MNYJUHWFQACHHQ-SNVBAGLBSA-N 1 1 252.720 2.719 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000862447428 637388107 /nfs/dbraw/zinc/38/81/07/637388107.db2.gz MNYJUHWFQACHHQ-SNVBAGLBSA-N 1 1 252.720 2.719 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000862447917 637389441 /nfs/dbraw/zinc/38/94/41/637389441.db2.gz SHZLKRIQMABZIQ-CYBMUJFWSA-N 1 1 285.416 2.994 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000862448088 637389611 /nfs/dbraw/zinc/38/96/11/637389611.db2.gz WTCHQSJQMNTXMO-DLBZAZTESA-N 1 1 298.430 2.757 20 30 CFEDMO CC(C)c1nc(C#N)c(N=NC2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000863087675 637553064 /nfs/dbraw/zinc/55/30/64/637553064.db2.gz MGYQXTVRDOXRDD-UHFFFAOYSA-N 1 1 289.383 2.942 20 30 CFEDMO FC(F)(F)c1cccc(N=NC2C[N@H+]3C[C@@H]2CCC3)n1 ZINC000863095176 637553628 /nfs/dbraw/zinc/55/36/28/637553628.db2.gz AAHUHLJILHYJKT-VIFPVBQESA-N 1 1 284.285 2.594 20 30 CFEDMO CC(C)CN[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863104513 637555632 /nfs/dbraw/zinc/55/56/32/637555632.db2.gz JIHUGMIAVDXGHV-UHFFFAOYSA-N 1 1 255.312 2.610 20 30 CFEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1cccc(F)c1Cl ZINC000863158712 637572656 /nfs/dbraw/zinc/57/26/56/637572656.db2.gz MWGLHRVYLAQSMW-QMMMGPOBSA-N 1 1 255.724 2.829 20 30 CFEDMO CC(C)(C)OC(=O)N1CCC(=[NH+]n2cccn2)C1(C)C ZINC000863163741 637576630 /nfs/dbraw/zinc/57/66/30/637576630.db2.gz NVHLVYOEVWMKTD-UHFFFAOYSA-N 1 1 278.356 2.507 20 30 CFEDMO CC(=[NH+]n1cccn1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000863163830 637576881 /nfs/dbraw/zinc/57/68/81/637576881.db2.gz QFEZJDJYORUNOZ-GFCCVEGCSA-N 1 1 278.356 2.507 20 30 CFEDMO C#CC[N@H+](CC[C@H]1CCCO1)Cc1ccc(F)cc1 ZINC000188914322 650349842 /nfs/dbraw/zinc/34/98/42/650349842.db2.gz MUHRPTBFDWOIGY-MRXNPFEDSA-N 1 1 261.340 2.830 20 30 CFEDMO C=CCN1CCN(C[N@@H+]2CCC[C@@H](C/C=C\C)C2)C1=O ZINC000863340359 637631242 /nfs/dbraw/zinc/63/12/42/637631242.db2.gz KDPPMYFZYDIJTF-UYWPIULCSA-N 1 1 277.412 2.546 20 30 CFEDMO C=CCN1CCN(C[N@@H+]2CCC[C@H](C/C=C/C)C2)C1=O ZINC000863340356 637631419 /nfs/dbraw/zinc/63/14/19/637631419.db2.gz KDPPMYFZYDIJTF-UJAVWCLSSA-N 1 1 277.412 2.546 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000119534596 637704482 /nfs/dbraw/zinc/70/44/82/637704482.db2.gz VZCGJKCBTZVUPY-CQSZACIVSA-N 1 1 273.376 2.698 20 30 CFEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@@H](C2CC2)O1 ZINC000930270657 637770029 /nfs/dbraw/zinc/77/00/29/637770029.db2.gz OWQRXUANJDKIDH-WOICTCIZSA-N 1 1 262.397 2.816 20 30 CFEDMO Oc1cccc(/C=N/C[C@H]2CC[N@H+]2C2CCCCC2)c1O ZINC000864345061 637945891 /nfs/dbraw/zinc/94/58/91/637945891.db2.gz NKKHCTGXTJYEOU-CLXYIWAZSA-N 1 1 288.391 2.924 20 30 CFEDMO Oc1cccc(/C=N/C[C@H]2CC[N@H+]2C2CCCC2)c1O ZINC000864345969 637946970 /nfs/dbraw/zinc/94/69/70/637946970.db2.gz LCAYZRYTBASZBS-NGWPFTMJSA-N 1 1 274.364 2.534 20 30 CFEDMO CCCCCCCN1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189877453 650398650 /nfs/dbraw/zinc/39/86/50/650398650.db2.gz SAKAWRPPUYCUPN-OAHLLOKOSA-N 1 1 270.461 2.734 20 30 CFEDMO CCCCCCC[N@@H+]1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189877453 650398652 /nfs/dbraw/zinc/39/86/52/650398652.db2.gz SAKAWRPPUYCUPN-OAHLLOKOSA-N 1 1 270.461 2.734 20 30 CFEDMO CCCCCCC[N@H+]1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000189877453 650398654 /nfs/dbraw/zinc/39/86/54/650398654.db2.gz SAKAWRPPUYCUPN-OAHLLOKOSA-N 1 1 270.461 2.734 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](CC(C)(C)O)C2CC2)cc1 ZINC000189946039 650404273 /nfs/dbraw/zinc/40/42/73/650404273.db2.gz YUSAHJPZLFYKFT-ZDUSSCGKSA-N 1 1 288.391 2.713 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccco1 ZINC000865401076 638309256 /nfs/dbraw/zinc/30/92/56/638309256.db2.gz GITRXSWDAMEPPU-UHFFFAOYSA-N 1 1 255.321 2.507 20 30 CFEDMO CC[N@H+]1CCC[C@H]1CNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865404169 638313724 /nfs/dbraw/zinc/31/37/24/638313724.db2.gz DTOXQCGIDRADMH-NSHDSACASA-N 1 1 292.314 2.502 20 30 CFEDMO C=C[C@H](C)[NH2+]Cc1nccc(C)c1Br ZINC000865489574 638374361 /nfs/dbraw/zinc/37/43/61/638374361.db2.gz FANQJKWCNYOABW-VIFPVBQESA-N 1 1 255.159 2.817 20 30 CFEDMO C[C@H]1CCC[N@H+]1CCNc1cc(C(F)(F)F)cc(C#N)n1 ZINC000865564726 638426721 /nfs/dbraw/zinc/42/67/21/638426721.db2.gz OZSRHTOXUVTHKG-JTQLQIEISA-N 1 1 298.312 2.868 20 30 CFEDMO CCCn1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)nn1 ZINC000865606213 638456096 /nfs/dbraw/zinc/45/60/96/638456096.db2.gz SZWAEKPKGOJLOI-QGZVFWFLSA-N 1 1 295.390 2.727 20 30 CFEDMO CCCn1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)nn1 ZINC000865618907 638465532 /nfs/dbraw/zinc/46/55/32/638465532.db2.gz KCVAPGMYKQJVEX-UHFFFAOYSA-N 1 1 295.390 2.729 20 30 CFEDMO CC(C)[NH+]1CCC(CCNCc2nc(C#N)cs2)CC1 ZINC000865717070 638532507 /nfs/dbraw/zinc/53/25/07/638532507.db2.gz NCRVFXBGRIIGJL-UHFFFAOYSA-N 1 1 292.452 2.615 20 30 CFEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC[C@H](C)O1 ZINC000190455802 650434721 /nfs/dbraw/zinc/43/47/21/650434721.db2.gz IAUISQCNSASYRN-XJKSGUPXSA-N 1 1 261.340 2.828 20 30 CFEDMO Cc1c(Cl)cnc(N2CC[N@H+](C)C(C)(C)CC2)c1C#N ZINC000866112713 638743412 /nfs/dbraw/zinc/74/34/12/638743412.db2.gz KGWHULGXBPYLGB-UHFFFAOYSA-N 1 1 292.814 2.836 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3cc(C#N)nc4ccccc43)CC[C@@H]21 ZINC000866206581 638770357 /nfs/dbraw/zinc/77/03/57/638770357.db2.gz SJBRICVBQNOTNW-DYVFJYSZSA-N 1 1 292.386 2.637 20 30 CFEDMO C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1[O-] ZINC000866221405 638773201 /nfs/dbraw/zinc/77/32/01/638773201.db2.gz QXGRSIWUVXFTIA-LBPRGKRZSA-N 1 1 285.391 2.541 20 30 CFEDMO Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1[O-] ZINC000866259011 638781988 /nfs/dbraw/zinc/78/19/88/638781988.db2.gz FGYBJLNVFYPVSI-STQMWFEESA-N 1 1 298.390 2.756 20 30 CFEDMO Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1[O-] ZINC000866259010 638782047 /nfs/dbraw/zinc/78/20/47/638782047.db2.gz FGYBJLNVFYPVSI-QWHCGFSZSA-N 1 1 298.390 2.756 20 30 CFEDMO C=C(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(C#N)c2[O-])CC1 ZINC000866261637 638783223 /nfs/dbraw/zinc/78/32/23/638783223.db2.gz XTHQEVIPPUDKQT-AWEZNQCLSA-N 1 1 299.418 2.955 20 30 CFEDMO CCc1noc(C)c1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866364552 638804934 /nfs/dbraw/zinc/80/49/34/638804934.db2.gz RJDQVVYQSDSGIA-JTQLQIEISA-N 1 1 285.347 2.974 20 30 CFEDMO Cc1cc(C)c(COC(=O)c2ccc(C#N)o2)c(C)[nH+]1 ZINC000869523891 639276705 /nfs/dbraw/zinc/27/67/05/639276705.db2.gz LJFUBCFIAWXVTR-UHFFFAOYSA-N 1 1 270.288 2.829 20 30 CFEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC(C)(F)F ZINC001017900961 651261048 /nfs/dbraw/zinc/26/10/48/651261048.db2.gz AXJSQHONXZDAON-BETUJISGSA-N 1 1 286.366 2.673 20 30 CFEDMO CC(C)CCC(N)=[NH+]OCc1nc(C(C)(C)C)no1 ZINC000123413777 641134798 /nfs/dbraw/zinc/13/47/98/641134798.db2.gz LOBIGFMROPMGNF-UHFFFAOYSA-N 1 1 268.361 2.592 20 30 CFEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000193308205 650642640 /nfs/dbraw/zinc/64/26/40/650642640.db2.gz VTSXIOMJVRQMNF-AWEZNQCLSA-N 1 1 268.401 2.943 20 30 CFEDMO C=CCCCCC[N@@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000193308196 650642740 /nfs/dbraw/zinc/64/27/40/650642740.db2.gz VTSXIOMJVRQMNF-CQSZACIVSA-N 1 1 268.401 2.943 20 30 CFEDMO Cc1ccc(SCCc2c[nH+]cn2C)c(C#N)c1 ZINC000871686922 641404573 /nfs/dbraw/zinc/40/45/73/641404573.db2.gz JVLDEZCDDKMTBV-UHFFFAOYSA-N 1 1 257.362 2.935 20 30 CFEDMO C=CCCCCON=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785105 641455478 /nfs/dbraw/zinc/45/54/78/641455478.db2.gz RIBYDHXHYNVFJU-AGUYFDCRSA-N 1 1 265.401 2.714 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc3c(c2)CCO3)no1 ZINC000871787727 641456882 /nfs/dbraw/zinc/45/68/82/641456882.db2.gz CUOVJVZNURIAIB-LLVKDONJSA-N 1 1 291.738 2.814 20 30 CFEDMO C#CC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccccc1 ZINC000123885799 641536109 /nfs/dbraw/zinc/53/61/09/641536109.db2.gz CYWWGEIYDHLIHV-IRXDYDNUSA-N 1 1 257.377 2.988 20 30 CFEDMO C=CCN1CCC([NH2+][C@@H](C)c2cc(O)ccc2F)CC1 ZINC000872033184 641563014 /nfs/dbraw/zinc/56/30/14/641563014.db2.gz GKGWYLZHXDLVSW-LBPRGKRZSA-N 1 1 278.371 2.832 20 30 CFEDMO C=C(C)COCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872049919 641583223 /nfs/dbraw/zinc/58/32/23/641583223.db2.gz WXOMMXKTCCIFOW-LLVKDONJSA-N 1 1 282.315 2.977 20 30 CFEDMO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000872139332 641667248 /nfs/dbraw/zinc/66/72/48/641667248.db2.gz JHPMZYZGCGXNML-WRQOLXDDSA-N 1 1 260.425 2.641 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2c(C)nsc2C)no1 ZINC000872182949 641694448 /nfs/dbraw/zinc/69/44/48/641694448.db2.gz WMDPFNXRZYNCCJ-QMMMGPOBSA-N 1 1 284.772 2.952 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(CCC2CCOCC2)no1 ZINC000872182892 641696637 /nfs/dbraw/zinc/69/66/37/641696637.db2.gz UODLEWRTYLHMBG-LLVKDONJSA-N 1 1 285.775 2.571 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C2(CCOC)CCC2)no1 ZINC000872183883 641697126 /nfs/dbraw/zinc/69/71/26/641697126.db2.gz ORHTYSKHMCRFQO-JTQLQIEISA-N 1 1 285.775 2.670 20 30 CFEDMO Fc1cc(F)cc(N=NC2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000872344490 641761100 /nfs/dbraw/zinc/76/11/00/641761100.db2.gz KQZCXWBIUSDAEM-CQSZACIVSA-N 1 1 297.374 2.944 20 30 CFEDMO Fc1cc(F)cc(N=NC2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000872344490 641761103 /nfs/dbraw/zinc/76/11/03/641761103.db2.gz KQZCXWBIUSDAEM-CQSZACIVSA-N 1 1 297.374 2.944 20 30 CFEDMO Fc1cccc(F)c1N=NC1CCC[N@@H+]2CCSC[C@H]12 ZINC000872353123 641763817 /nfs/dbraw/zinc/76/38/17/641763817.db2.gz WDMADGKISAKNDC-CYBMUJFWSA-N 1 1 297.374 2.944 20 30 CFEDMO Fc1cccc(F)c1N=NC1CCC[N@H+]2CCSC[C@H]12 ZINC000872353123 641763823 /nfs/dbraw/zinc/76/38/23/641763823.db2.gz WDMADGKISAKNDC-CYBMUJFWSA-N 1 1 297.374 2.944 20 30 CFEDMO CC(CCc1cccnc1)=[NH+]n1cc(Br)cn1 ZINC000872359653 641767294 /nfs/dbraw/zinc/76/72/94/641767294.db2.gz LGQOYDKFZGMXKS-UHFFFAOYSA-N 1 1 293.168 2.897 20 30 CFEDMO C[C@@H]1C(N=Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000872365464 641771599 /nfs/dbraw/zinc/77/15/99/641771599.db2.gz SCXUKPHAUUKAEW-SECBINFHSA-N 1 1 262.744 2.704 20 30 CFEDMO CC[N@H+]1CCC(N=Nc2nc3ccncc3s2)[C@H](C)C1 ZINC000872414310 641800987 /nfs/dbraw/zinc/80/09/87/641800987.db2.gz QCQVFQPQNLAVJU-SNVBAGLBSA-N 1 1 289.408 2.821 20 30 CFEDMO CSc1nnc(SC)n1[NH+]=C[C@@H]1CC[C@H](C)C1 ZINC000872417930 641803703 /nfs/dbraw/zinc/80/37/03/641803703.db2.gz UFLARCSKYLVLHV-DTWKUNHWSA-N 1 1 270.427 2.992 20 30 CFEDMO C=CCCC[N@H+](C)CN1C[C@](C)(c2ccccc2F)C1=O ZINC000872580235 641863295 /nfs/dbraw/zinc/86/32/95/641863295.db2.gz PVIZYDACCRWHAX-QGZVFWFLSA-N 1 1 290.382 2.781 20 30 CFEDMO COc1cc(O)c(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1OC ZINC000872683430 641895215 /nfs/dbraw/zinc/89/52/15/641895215.db2.gz DOHPTFYFYMEVFV-WCQYABFASA-N 1 1 290.363 2.533 20 30 CFEDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1OC ZINC000872683430 641895221 /nfs/dbraw/zinc/89/52/21/641895221.db2.gz DOHPTFYFYMEVFV-WCQYABFASA-N 1 1 290.363 2.533 20 30 CFEDMO C[N@H+](CCc1cccc(C#N)c1)Cn1cc(Cl)cn1 ZINC000872706134 641906038 /nfs/dbraw/zinc/90/60/38/641906038.db2.gz UNDFFNXNSFMFSK-UHFFFAOYSA-N 1 1 274.755 2.540 20 30 CFEDMO C[N@@H+](CCc1cccc(C#N)c1)Cn1cc(Cl)cn1 ZINC000872706134 641906040 /nfs/dbraw/zinc/90/60/40/641906040.db2.gz UNDFFNXNSFMFSK-UHFFFAOYSA-N 1 1 274.755 2.540 20 30 CFEDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1nc(C(C)(C)C)ccc1C#N ZINC000872780987 641934772 /nfs/dbraw/zinc/93/47/72/641934772.db2.gz OWOPUZYHZZVGAD-HUUCEWRRSA-N 1 1 298.434 2.924 20 30 CFEDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1ncc(C#N)c2ccsc21 ZINC000872780357 641935288 /nfs/dbraw/zinc/93/52/88/641935288.db2.gz YNRYGCIXMDRYND-UONOGXRCSA-N 1 1 298.415 2.841 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000872929522 641965339 /nfs/dbraw/zinc/96/53/39/641965339.db2.gz BKWGOSJDYKWPQG-UONOGXRCSA-N 1 1 281.444 2.761 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000873114663 642015961 /nfs/dbraw/zinc/01/59/61/642015961.db2.gz OQYOUZKEGJLMSR-HUUCEWRRSA-N 1 1 293.455 2.714 20 30 CFEDMO CC(C)[C@@H](C(=O)OCc1ccc(C#N)o1)[NH+]1CCCCC1 ZINC000873360978 642153009 /nfs/dbraw/zinc/15/30/09/642153009.db2.gz QHIJXBKADZKPIA-HNNXBMFYSA-N 1 1 290.363 2.705 20 30 CFEDMO N#Cc1cc2ccccc2nc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000083686369 650766158 /nfs/dbraw/zinc/76/61/58/650766158.db2.gz CMSUYLVPBYYODO-AWEZNQCLSA-N 1 1 278.359 2.755 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000876566401 642926233 /nfs/dbraw/zinc/92/62/33/642926233.db2.gz IUYRAZCUXYVBLG-KBPBESRZSA-N 1 1 295.427 2.867 20 30 CFEDMO C#CCCCCCC[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000876597200 642939957 /nfs/dbraw/zinc/93/99/57/642939957.db2.gz MRSXISWIPDOEPJ-MRXNPFEDSA-N 1 1 250.430 2.844 20 30 CFEDMO C#CCCCCCC[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000876597200 642939958 /nfs/dbraw/zinc/93/99/58/642939958.db2.gz MRSXISWIPDOEPJ-MRXNPFEDSA-N 1 1 250.430 2.844 20 30 CFEDMO CC[C@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)C[C@H](C)O1 ZINC000876639358 642954489 /nfs/dbraw/zinc/95/44/89/642954489.db2.gz URPAKQSLEPYNOD-BBRMVZONSA-N 1 1 287.407 2.624 20 30 CFEDMO CC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)C[C@H](C)O1 ZINC000876639358 642954492 /nfs/dbraw/zinc/95/44/92/642954492.db2.gz URPAKQSLEPYNOD-BBRMVZONSA-N 1 1 287.407 2.624 20 30 CFEDMO C#CC[N@H+](CCC[C@@H]1CCO1)Cc1ccc(F)cc1 ZINC000876643085 642955191 /nfs/dbraw/zinc/95/51/91/642955191.db2.gz SVTGBIIFKHLBNV-MRXNPFEDSA-N 1 1 261.340 2.830 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000876653773 642959965 /nfs/dbraw/zinc/95/99/65/642959965.db2.gz RTDVWCOEKQCNOG-ZIAGYGMSSA-N 1 1 295.427 2.773 20 30 CFEDMO C#CCCCCCC[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000876678341 642969751 /nfs/dbraw/zinc/96/97/51/642969751.db2.gz KIFUWUHYWCPINM-HNNXBMFYSA-N 1 1 265.397 2.655 20 30 CFEDMO C=CC1CC[NH+](Cc2cc(OC)cnc2F)CC1 ZINC000876727505 642984995 /nfs/dbraw/zinc/98/49/95/642984995.db2.gz MKOJILDSAXOAGF-UHFFFAOYSA-N 1 1 250.317 2.627 20 30 CFEDMO C=CCCCCC[N@@H+](C)Cc1cn(CCC)nn1 ZINC000876750183 642993398 /nfs/dbraw/zinc/99/33/98/642993398.db2.gz OPLJVVDUHJPYPD-UHFFFAOYSA-N 1 1 250.390 2.866 20 30 CFEDMO C=CCCCCC[N@H+](C)Cc1cn(CCC)nn1 ZINC000876750183 642993402 /nfs/dbraw/zinc/99/34/02/642993402.db2.gz OPLJVVDUHJPYPD-UHFFFAOYSA-N 1 1 250.390 2.866 20 30 CFEDMO C#CCCCCCC[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000876767017 643001545 /nfs/dbraw/zinc/00/15/45/643001545.db2.gz YUFOXJDBJFMATD-HZPDHXFCSA-N 1 1 299.480 2.858 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000876793633 643010101 /nfs/dbraw/zinc/01/01/01/643010101.db2.gz GAXVTUONEFEZDY-UHFFFAOYSA-N 1 1 299.418 2.627 20 30 CFEDMO C#CCCCCCC[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000876794558 643011683 /nfs/dbraw/zinc/01/16/83/643011683.db2.gz BDTKBNJSDWSYDM-CYBMUJFWSA-N 1 1 279.384 2.793 20 30 CFEDMO C#CCCCCCC[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000876794558 643011685 /nfs/dbraw/zinc/01/16/85/643011685.db2.gz BDTKBNJSDWSYDM-CYBMUJFWSA-N 1 1 279.384 2.793 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000876810588 643020264 /nfs/dbraw/zinc/02/02/64/643020264.db2.gz WCTZKQIHXCITTD-HNNXBMFYSA-N 1 1 274.412 2.876 20 30 CFEDMO C#CCCCCCC[N@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000876810588 643020275 /nfs/dbraw/zinc/02/02/75/643020275.db2.gz WCTZKQIHXCITTD-HNNXBMFYSA-N 1 1 274.412 2.876 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCC[C@H](c2nc(C)n[nH]2)C1 ZINC000876810588 643020281 /nfs/dbraw/zinc/02/02/81/643020281.db2.gz WCTZKQIHXCITTD-HNNXBMFYSA-N 1 1 274.412 2.876 20 30 CFEDMO C#CCCCCCC[N@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000876810588 643020285 /nfs/dbraw/zinc/02/02/85/643020285.db2.gz WCTZKQIHXCITTD-HNNXBMFYSA-N 1 1 274.412 2.876 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCC[C@H](c2n[nH]c(C)n2)C1 ZINC000876810588 643020292 /nfs/dbraw/zinc/02/02/92/643020292.db2.gz WCTZKQIHXCITTD-HNNXBMFYSA-N 1 1 274.412 2.876 20 30 CFEDMO CCC[C@H](C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)OC ZINC000876816643 643023825 /nfs/dbraw/zinc/02/38/25/643023825.db2.gz NJSDZAZEVDPWTO-SJORKVTESA-N 1 1 288.391 2.747 20 30 CFEDMO CCC[C@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)OC ZINC000876816643 643023831 /nfs/dbraw/zinc/02/38/31/643023831.db2.gz NJSDZAZEVDPWTO-SJORKVTESA-N 1 1 288.391 2.747 20 30 CFEDMO C#CC[N@H+](CCCc1cnn(C)c1)Cc1ccc(F)cc1 ZINC000126222123 643054504 /nfs/dbraw/zinc/05/45/04/643054504.db2.gz MZHSOBMMEYUQFS-UHFFFAOYSA-N 1 1 285.366 2.627 20 30 CFEDMO C#CC[C@H]([NH2+]Cc1cc(C(=O)OCC)no1)c1ccccc1 ZINC000877119541 643161006 /nfs/dbraw/zinc/16/10/06/643161006.db2.gz HJWXXMWXFLZTBE-HNNXBMFYSA-N 1 1 298.342 2.706 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H]2CCCO2)cc1 ZINC000245510687 650818972 /nfs/dbraw/zinc/81/89/72/650818972.db2.gz WRMXKSMCVAGPSY-CZUORRHYSA-N 1 1 274.364 2.588 20 30 CFEDMO C[C@H]1C[C@@H](Nc2ccc(F)cc2OCC#N)CC[N@H+]1C ZINC000877176666 643190219 /nfs/dbraw/zinc/19/02/19/643190219.db2.gz OUCGLEXWOWAUPS-AAEUAGOBSA-N 1 1 277.343 2.623 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)CCc1ccccn1 ZINC000877318068 643235164 /nfs/dbraw/zinc/23/51/64/643235164.db2.gz LYJNAARKFWPYNX-UHFFFAOYSA-N 1 1 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C=CC[N@@H+]1CC[C@H](NC(=O)c2sccc2CC)[C@H]1C ZINC001089057135 778983736 /nfs/dbraw/zinc/98/37/36/778983736.db2.gz KAPTWYYRNHTWCE-YPMHNXCESA-N 1 1 278.421 2.689 20 30 CFEDMO CCOC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001232847148 778984300 /nfs/dbraw/zinc/98/43/00/778984300.db2.gz SDCNTFFIXRKNCX-OAHLLOKOSA-N 1 1 292.404 2.785 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2c(C)nsc2C)[C@H]1C ZINC001089065323 778984371 /nfs/dbraw/zinc/98/43/71/778984371.db2.gz ZYCSDAHPQMPWBD-YPMHNXCESA-N 1 1 293.436 2.529 20 30 CFEDMO C[N@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)n1 ZINC001232921606 778993772 /nfs/dbraw/zinc/99/37/72/778993772.db2.gz AMPHZZGRDQSYCS-UHFFFAOYSA-N 1 1 255.296 2.724 20 30 CFEDMO C[N@@H+](Cc1ccc(F)cc1)Cc1cccc(C#N)n1 ZINC001232921606 778993776 /nfs/dbraw/zinc/99/37/76/778993776.db2.gz AMPHZZGRDQSYCS-UHFFFAOYSA-N 1 1 255.296 2.724 20 30 CFEDMO Cc1ccc(C[N@H+]2CCCC[C@](C)(O)C2)c(C#N)c1 ZINC001232961913 778999982 /nfs/dbraw/zinc/99/99/82/778999982.db2.gz JPONMIQFKOMTQG-INIZCTEOSA-N 1 1 258.365 2.604 20 30 CFEDMO C#CCCCCC(=O)NC1(C)CC[NH+](CC(=C)Cl)CC1 ZINC001278045804 779000217 /nfs/dbraw/zinc/00/02/17/779000217.db2.gz KHSNDXSVPKHISE-UHFFFAOYSA-N 1 1 296.842 2.903 20 30 CFEDMO N#CCCN1CC[NH+](Cc2cc(O)cc3ccccc32)CC1 ZINC001237067391 779002935 /nfs/dbraw/zinc/00/29/35/779002935.db2.gz DCXDLPZFPHQYFJ-UHFFFAOYSA-N 1 1 295.386 2.577 20 30 CFEDMO CCCCCCCCCC[N@@H+]1C[C@@H](OC)[C@@H](N)C1 ZINC001237101554 779009717 /nfs/dbraw/zinc/00/97/17/779009717.db2.gz HNLABQQHPRDRNY-LSDHHAIUSA-N 1 1 256.434 2.785 20 30 CFEDMO CCCCCCCCCC[N@H+]1C[C@@H](OC)[C@@H](N)C1 ZINC001237101554 779009712 /nfs/dbraw/zinc/00/97/12/779009712.db2.gz HNLABQQHPRDRNY-LSDHHAIUSA-N 1 1 256.434 2.785 20 30 CFEDMO COc1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(OC)c1 ZINC001203481148 779013356 /nfs/dbraw/zinc/01/33/56/779013356.db2.gz UWNYGWLTAQXDOB-ZDUSSCGKSA-N 1 1 274.364 2.829 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001233083131 779017702 /nfs/dbraw/zinc/01/77/02/779017702.db2.gz WWGVFIWOWGIXBQ-MRXNPFEDSA-N 1 1 256.349 2.622 20 30 CFEDMO C=CCCCCCCCC[N@H+]1C[C@@H](N)C2(COC2)C1 ZINC001237173748 779035703 /nfs/dbraw/zinc/03/57/03/779035703.db2.gz AVQZWMSQMCDRLQ-OAHLLOKOSA-N 1 1 266.429 2.563 20 30 CFEDMO C=CCCCCCCCC[N@@H+]1C[C@@H](N)C2(COC2)C1 ZINC001237173748 779035704 /nfs/dbraw/zinc/03/57/04/779035704.db2.gz AVQZWMSQMCDRLQ-OAHLLOKOSA-N 1 1 266.429 2.563 20 30 CFEDMO Cc1ccc(NCCCCC#N)c(C[NH+]2CCOCC2)c1 ZINC001168436130 779055985 /nfs/dbraw/zinc/05/59/85/779055985.db2.gz KRKMOBURYBPOAT-UHFFFAOYSA-N 1 1 287.407 2.933 20 30 CFEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929685117 779072588 /nfs/dbraw/zinc/07/25/88/779072588.db2.gz MKNNPVXVAJVCLO-QDIHITRGSA-N 1 1 264.413 2.942 20 30 CFEDMO Cc1ccc(C#N)c(NC(=O)[C@H]2CCC[C@@]23CC[N@H+](C)C3)c1 ZINC001278089142 779084990 /nfs/dbraw/zinc/08/49/90/779084990.db2.gz BGEADPCDIAWFPR-QAPCUYQASA-N 1 1 297.402 2.927 20 30 CFEDMO C=C(C)CN1CC[C@]2(CCC[N@@H+]2C[C@H](C)CC)C1=O ZINC001272419866 779087482 /nfs/dbraw/zinc/08/74/82/779087482.db2.gz JBGSNGLUBAIJJF-GDBMZVCRSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H](C)CC ZINC001272420887 779089939 /nfs/dbraw/zinc/08/99/39/779089939.db2.gz MEWOOGFAYKEQKO-HOCLYGCPSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CCN1CC[C@]2(CCC[N@@H+]2CC(CC)CC)C1=O ZINC001272421792 779091501 /nfs/dbraw/zinc/09/15/01/779091501.db2.gz LXQQNAVLBXJEPU-MRXNPFEDSA-N 1 1 264.413 2.676 20 30 CFEDMO C=C1CC(C)(C(=O)NC2C[NH+](CCCC3CCC3)C2)C1 ZINC001030923730 779103740 /nfs/dbraw/zinc/10/37/40/779103740.db2.gz CEBHUQCWTPGLQY-UHFFFAOYSA-N 1 1 276.424 2.723 20 30 CFEDMO Cn1cc(C[N@H+]2CCCC[C@](C)(O)C2)c2cc(C#N)ccc21 ZINC001237464434 779113727 /nfs/dbraw/zinc/11/37/27/779113727.db2.gz DOVQYLPYSREVPT-SFHVURJKSA-N 1 1 297.402 2.787 20 30 CFEDMO Cn1cc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c2cc(C#N)ccc21 ZINC001237470263 779115977 /nfs/dbraw/zinc/11/59/77/779115977.db2.gz ASWRSWVECPHVPQ-QGZVFWFLSA-N 1 1 297.402 2.785 20 30 CFEDMO CCCC[N@H+](CCC#N)Cc1cccc(CC(=O)OC)c1 ZINC001237480498 779116668 /nfs/dbraw/zinc/11/66/68/779116668.db2.gz XEYUJNCJYARGBL-UHFFFAOYSA-N 1 1 288.391 2.918 20 30 CFEDMO CCCC[N@@H+](CCC#N)Cc1cccc(CC(=O)OC)c1 ZINC001237480498 779116673 /nfs/dbraw/zinc/11/66/73/779116673.db2.gz XEYUJNCJYARGBL-UHFFFAOYSA-N 1 1 288.391 2.918 20 30 CFEDMO COc1c(C)cccc1C[N@@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001237504217 779122378 /nfs/dbraw/zinc/12/23/78/779122378.db2.gz VPXDYRCLOJCYFU-AWEZNQCLSA-N 1 1 289.400 2.778 20 30 CFEDMO COc1c(C)cccc1C[N@H+]1CC[C@@H]2SC(=O)C=C2C1 ZINC001237504217 779122380 /nfs/dbraw/zinc/12/23/80/779122380.db2.gz VPXDYRCLOJCYFU-AWEZNQCLSA-N 1 1 289.400 2.778 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c(F)cc1F ZINC001237524323 779125767 /nfs/dbraw/zinc/12/57/67/779125767.db2.gz HSPCUAUSYRDPHG-MEDUHNTESA-N 1 1 292.329 2.837 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c(F)cc1F ZINC001237524323 779125771 /nfs/dbraw/zinc/12/57/71/779125771.db2.gz HSPCUAUSYRDPHG-MEDUHNTESA-N 1 1 292.329 2.837 20 30 CFEDMO CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)CC(C)(C)C1 ZINC001089285737 779133504 /nfs/dbraw/zinc/13/35/04/779133504.db2.gz QJFISOZVVDHNFI-KRWDZBQOSA-N 1 1 299.418 2.685 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)C(F)F)CC(C)(C)C1 ZINC001089291070 779137256 /nfs/dbraw/zinc/13/72/56/779137256.db2.gz PEZQQHSCEVYKQI-JTQLQIEISA-N 1 1 294.773 2.611 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)C(F)F)CC(C)(C)C1 ZINC001089291071 779137553 /nfs/dbraw/zinc/13/75/53/779137553.db2.gz PEZQQHSCEVYKQI-SNVBAGLBSA-N 1 1 294.773 2.611 20 30 CFEDMO C[N@H+](Cc1cn2cc(C#N)ccc2n1)Cc1ccc(F)cc1 ZINC001237608430 779141895 /nfs/dbraw/zinc/14/18/95/779141895.db2.gz GLLJQYMUHDHGNL-UHFFFAOYSA-N 1 1 294.333 2.977 20 30 CFEDMO C[N@@H+](Cc1cn2cc(C#N)ccc2n1)Cc1ccc(F)cc1 ZINC001237608430 779141900 /nfs/dbraw/zinc/14/19/00/779141900.db2.gz GLLJQYMUHDHGNL-UHFFFAOYSA-N 1 1 294.333 2.977 20 30 CFEDMO CC[C@@H]1CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237607655 779142088 /nfs/dbraw/zinc/14/20/88/779142088.db2.gz YXVOUODDGJXJRB-CYBMUJFWSA-N 1 1 268.364 2.828 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2cn3cc(C#N)ccc3n2)C2(CC2)C1 ZINC001237616132 779143923 /nfs/dbraw/zinc/14/39/23/779143923.db2.gz CFXFANCONXAAJT-GFCCVEGCSA-N 1 1 266.348 2.580 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2ccnc(OC(F)F)c2)C1 ZINC001237622763 779146822 /nfs/dbraw/zinc/14/68/22/779146822.db2.gz TZMWGLQBRRFKFP-NSHDSACASA-N 1 1 266.291 2.528 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CC2CC2)CC(C)(C)C1 ZINC001089299653 779149331 /nfs/dbraw/zinc/14/93/31/779149331.db2.gz VZTBOAYUOZVXGD-CQSZACIVSA-N 1 1 264.413 2.579 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CCCC2)CC(C)(C)C1 ZINC001089299926 779149591 /nfs/dbraw/zinc/14/95/91/779149591.db2.gz XSSZNYMJRRDYNL-OAHLLOKOSA-N 1 1 278.440 2.969 20 30 CFEDMO Cc1ccnc2cccc(C[N@@H+]3CC[C@H](C#N)C3)c12 ZINC001237631525 779150940 /nfs/dbraw/zinc/15/09/40/779150940.db2.gz UZCBXUJIFMDICI-CYBMUJFWSA-N 1 1 251.333 2.889 20 30 CFEDMO Cc1ccnc2cccc(C[N@H+]3CC[C@H](C#N)C3)c12 ZINC001237631525 779150943 /nfs/dbraw/zinc/15/09/43/779150943.db2.gz UZCBXUJIFMDICI-CYBMUJFWSA-N 1 1 251.333 2.889 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCC[C@@H]1O ZINC001237745675 779173714 /nfs/dbraw/zinc/17/37/14/779173714.db2.gz HQOKVVXYUMKFSL-ABAIWWIYSA-N 1 1 278.783 2.804 20 30 CFEDMO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237752221 779174687 /nfs/dbraw/zinc/17/46/87/779174687.db2.gz TYHNCQRGMYESHA-HZMBPMFUSA-N 1 1 264.756 2.557 20 30 CFEDMO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237752221 779174689 /nfs/dbraw/zinc/17/46/89/779174689.db2.gz TYHNCQRGMYESHA-HZMBPMFUSA-N 1 1 264.756 2.557 20 30 CFEDMO CCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237752955 779175287 /nfs/dbraw/zinc/17/52/87/779175287.db2.gz GYTJPIVORGLHQN-CQSZACIVSA-N 1 1 264.756 2.822 20 30 CFEDMO CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237752955 779175290 /nfs/dbraw/zinc/17/52/90/779175290.db2.gz GYTJPIVORGLHQN-CQSZACIVSA-N 1 1 264.756 2.822 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001031026049 779179314 /nfs/dbraw/zinc/17/93/14/779179314.db2.gz MMFBVLAUIBZLQE-HNNXBMFYSA-N 1 1 286.419 2.865 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2[nH]c(-c3ccc[nH]3)cc2OC)C1 ZINC001237882750 779200304 /nfs/dbraw/zinc/20/03/04/779200304.db2.gz PXIXLOXDYFHVNS-CYBMUJFWSA-N 1 1 283.375 2.864 20 30 CFEDMO C#CCN(C)Cc1ccc2c(c1)C(C(C)C)=[NH+]CC2 ZINC001237886358 779200357 /nfs/dbraw/zinc/20/03/57/779200357.db2.gz MYUZSEMOSZOUJL-UHFFFAOYSA-N 1 1 254.377 2.753 20 30 CFEDMO C=CCOCC[N@H+](C)CCCNC(=O)[C@@H](CC)CCCC ZINC001234291075 779202634 /nfs/dbraw/zinc/20/26/34/779202634.db2.gz OVRPYZSYECDWCZ-INIZCTEOSA-N 1 1 298.471 2.844 20 30 CFEDMO C=CC[NH+]1CCN(Cc2cncc(Cl)c2Cl)CC1 ZINC001238009791 779230864 /nfs/dbraw/zinc/23/08/64/779230864.db2.gz VEGPFGAXDGTUSG-UHFFFAOYSA-N 1 1 286.206 2.692 20 30 CFEDMO CCC[N@H+](CCC#N)Cc1cc(F)cc(C)c1O ZINC001238062819 779242824 /nfs/dbraw/zinc/24/28/24/779242824.db2.gz SHOVQKMYAHAXAK-UHFFFAOYSA-N 1 1 250.317 2.965 20 30 CFEDMO CCC[N@@H+](CCC#N)Cc1cc(F)cc(C)c1O ZINC001238062819 779242829 /nfs/dbraw/zinc/24/28/29/779242829.db2.gz SHOVQKMYAHAXAK-UHFFFAOYSA-N 1 1 250.317 2.965 20 30 CFEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)o1 ZINC001272586663 779243740 /nfs/dbraw/zinc/24/37/40/779243740.db2.gz FWHHXXCYYJUUCQ-KRWDZBQOSA-N 1 1 288.391 2.731 20 30 CFEDMO CC[N@H+](CCn1cccn1)Cc1ccc(C#N)cc1Cl ZINC001238087253 779249146 /nfs/dbraw/zinc/24/91/46/779249146.db2.gz WMEFZQNTMKPVBL-UHFFFAOYSA-N 1 1 288.782 2.930 20 30 CFEDMO CC[N@@H+](CCn1cccn1)Cc1ccc(C#N)cc1Cl ZINC001238087253 779249153 /nfs/dbraw/zinc/24/91/53/779249153.db2.gz WMEFZQNTMKPVBL-UHFFFAOYSA-N 1 1 288.782 2.930 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@]1(C)O ZINC001238082552 779249891 /nfs/dbraw/zinc/24/98/91/779249891.db2.gz JQOYDDFJLGLRMS-NHYWBVRUSA-N 1 1 278.783 2.804 20 30 CFEDMO C#CCN(C(=O)CC[C@@H](C)CC)C1CC[NH+](CCF)CC1 ZINC001278188063 779253277 /nfs/dbraw/zinc/25/32/77/779253277.db2.gz FUUZZGIMHKOCNE-HNNXBMFYSA-N 1 1 296.430 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C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)Cc2ccoc2)C1 ZINC001034182346 780920493 /nfs/dbraw/zinc/92/04/93/780920493.db2.gz ODMRPEDQRYRQNM-MRXNPFEDSA-N 1 1 290.407 2.759 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001034220535 780926024 /nfs/dbraw/zinc/92/60/24/780926024.db2.gz ATSYRAOZTPEOFS-OAHLLOKOSA-N 1 1 275.396 2.565 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)C2C=CC=CC=C2)C1 ZINC001034227831 780926140 /nfs/dbraw/zinc/92/61/40/780926140.db2.gz NEVRJUCPOZMVFF-KRWDZBQOSA-N 1 1 286.419 2.832 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001034261291 780932054 /nfs/dbraw/zinc/93/20/54/780932054.db2.gz UZAVTDLLIXXCLV-STQMWFEESA-N 1 1 286.366 2.579 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034265351 780935600 /nfs/dbraw/zinc/93/56/00/780935600.db2.gz KDWKKEMYKIUYOD-GDBMZVCRSA-N 1 1 278.440 2.969 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001034278924 780937742 /nfs/dbraw/zinc/93/77/42/780937742.db2.gz 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C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)c(CC)o2)C1 ZINC001034493947 780982291 /nfs/dbraw/zinc/98/22/91/780982291.db2.gz WWSBKKZOGPTNTJ-CQSZACIVSA-N 1 1 290.407 2.921 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001034471999 780982330 /nfs/dbraw/zinc/98/23/30/780982330.db2.gz NTXRJQNPLNZGQD-HNNXBMFYSA-N 1 1 294.414 2.653 20 30 CFEDMO C=CCc1ccnc(C2=CCC[N@@H+](C)C2)c1C(OC)OC ZINC001241567328 780982586 /nfs/dbraw/zinc/98/25/86/780982586.db2.gz WINOEZWAEBQQQW-UHFFFAOYSA-N 1 1 288.391 2.820 20 30 CFEDMO C[N@H+]1CCC=C(c2ccc(C3(C#N)CCC3)cn2)C1 ZINC001241566073 780982907 /nfs/dbraw/zinc/98/29/07/780982907.db2.gz TZGZWOOBFKYNQA-UHFFFAOYSA-N 1 1 253.349 2.746 20 30 CFEDMO COc1cc(C(F)(F)F)c(C#N)c(C2=CCC[N@H+](C)C2)n1 ZINC001241567369 780983155 /nfs/dbraw/zinc/98/31/55/780983155.db2.gz YNHURSOEWCJXKZ-UHFFFAOYSA-N 1 1 297.280 2.700 20 30 CFEDMO COc1cc(C(F)(F)F)c(C#N)c(C2=CCC[N@@H+](C)C2)n1 ZINC001241567369 780983157 /nfs/dbraw/zinc/98/31/57/780983157.db2.gz YNHURSOEWCJXKZ-UHFFFAOYSA-N 1 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C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3ccccn3)CC[C@@H]21 ZINC001036623841 781306952 /nfs/dbraw/zinc/30/69/52/781306952.db2.gz HXNSQLWYEUBMOB-RDJZCZTQSA-N 1 1 299.418 2.584 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1cn(C)cn1 ZINC000709927621 781322617 /nfs/dbraw/zinc/32/26/17/781322617.db2.gz ILTRWPLZHVDBFO-NWDGAFQWSA-N 1 1 254.337 2.704 20 30 CFEDMO C[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1cn(C)cn1 ZINC000710104848 781327290 /nfs/dbraw/zinc/32/72/90/781327290.db2.gz MSUCOJPNPOIZAO-VXGBXAGGSA-N 1 1 254.337 2.704 20 30 CFEDMO C=CCOc1ccccc1C[NH2+][C@H](C)c1cn(C)cn1 ZINC000710148745 781329435 /nfs/dbraw/zinc/32/94/35/781329435.db2.gz QEKXRSQWLXASQG-CYBMUJFWSA-N 1 1 271.364 2.836 20 30 CFEDMO C=CCOc1ccc(C[NH2+][C@@H](C)c2cn(C)cn2)cc1 ZINC000710147768 781329601 /nfs/dbraw/zinc/32/96/01/781329601.db2.gz MYRIWMMYNCGIBZ-ZDUSSCGKSA-N 1 1 271.364 2.836 20 30 CFEDMO C=CC[N@H+]1CC[C@H]2CN(C(=O)CC3CCCC3)CC[C@@H]21 ZINC001036632160 781336983 /nfs/dbraw/zinc/33/69/83/781336983.db2.gz 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2.617 20 30 CFEDMO CCC[N@@H+](CCC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000037097285 372649472 /nfs/dbraw/zinc/64/94/72/372649472.db2.gz FUWLBPGDVBUGDW-UHFFFAOYSA-N 1 1 271.364 2.761 20 30 CFEDMO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000037644017 372677616 /nfs/dbraw/zinc/67/76/16/372677616.db2.gz AZAKLTRTMPQTND-DZGCQCFKSA-N 1 1 257.381 2.551 20 30 CFEDMO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000037644017 372677623 /nfs/dbraw/zinc/67/76/23/372677623.db2.gz AZAKLTRTMPQTND-DZGCQCFKSA-N 1 1 257.381 2.551 20 30 CFEDMO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000263696515 383685351 /nfs/dbraw/zinc/68/53/51/383685351.db2.gz KRTJNQJGFKYZMG-GFCCVEGCSA-N 1 1 289.404 2.583 20 30 CFEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2SCC#N)C1 ZINC000263696515 383685355 /nfs/dbraw/zinc/68/53/55/383685355.db2.gz KRTJNQJGFKYZMG-GFCCVEGCSA-N 1 1 289.404 2.583 20 30 CFEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c1 ZINC000451700537 383685625 /nfs/dbraw/zinc/68/56/25/383685625.db2.gz GLMAWECRZJTFEQ-IJEWVQPXSA-N 1 1 288.366 2.680 20 30 CFEDMO C=CCN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000529068320 383686207 /nfs/dbraw/zinc/68/62/07/383686207.db2.gz IIHGPBOTWNZLKF-OAHLLOKOSA-N 1 1 292.810 2.949 20 30 CFEDMO C=CCN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000529068320 383686209 /nfs/dbraw/zinc/68/62/09/383686209.db2.gz IIHGPBOTWNZLKF-OAHLLOKOSA-N 1 1 292.810 2.949 20 30 CFEDMO C[N@@H+](CCCCC#N)CC(=O)Nc1cccc(Cl)c1 ZINC000263767511 383687265 /nfs/dbraw/zinc/68/72/65/383687265.db2.gz BYKZCSCMLSBBQN-UHFFFAOYSA-N 1 1 279.771 2.904 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451708445 383687843 /nfs/dbraw/zinc/68/78/43/383687843.db2.gz NXOMVXRXGFEGDR-PBFPGSCMSA-N 1 1 288.366 2.680 20 30 CFEDMO CC[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCO1 ZINC000047725861 373115705 /nfs/dbraw/zinc/11/57/05/373115705.db2.gz JNLBTSGNTNWTIO-AWEZNQCLSA-N 1 1 262.328 2.698 20 30 CFEDMO CC(C)[N@H+](CC(=O)Nc1ccc(C#N)cc1)CC1CC1 ZINC000047861644 373121930 /nfs/dbraw/zinc/12/19/30/373121930.db2.gz CJSMOHGFKRBPEU-UHFFFAOYSA-N 1 1 271.364 2.617 20 30 CFEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cc(C)ccc1OC ZINC000048617385 373207709 /nfs/dbraw/zinc/20/77/09/373207709.db2.gz KUHGMFFJMHSERU-UHFFFAOYSA-N 1 1 276.380 2.840 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cc(C)ccc1OC ZINC000048617385 373207712 /nfs/dbraw/zinc/20/77/12/373207712.db2.gz KUHGMFFJMHSERU-UHFFFAOYSA-N 1 1 276.380 2.840 20 30 CFEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cc(F)ccc1F ZINC000048617409 373208107 /nfs/dbraw/zinc/20/81/07/373208107.db2.gz BOAIPBDUHPPVEZ-UHFFFAOYSA-N 1 1 268.307 2.801 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cc(F)ccc1F ZINC000048617409 373208111 /nfs/dbraw/zinc/20/81/11/373208111.db2.gz BOAIPBDUHPPVEZ-UHFFFAOYSA-N 1 1 268.307 2.801 20 30 CFEDMO C[C@@H](CN1CCCCC1)[NH2+]Cc1ccc(C#N)cc1F ZINC000049501803 373307068 /nfs/dbraw/zinc/30/70/68/373307068.db2.gz QYNFOQRJCASUIP-ZDUSSCGKSA-N 1 1 275.371 2.661 20 30 CFEDMO CC[N@H+]1CCC[C@H]1CNc1nc2c(cc1C#N)CCCC2 ZINC000049957038 373336988 /nfs/dbraw/zinc/33/69/88/373336988.db2.gz RSMXCVJWRYELBC-HNNXBMFYSA-N 1 1 284.407 2.728 20 30 CFEDMO CCC(C#N)(CC)C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000529417068 383690189 /nfs/dbraw/zinc/69/01/89/383690189.db2.gz GOPAJJTVMHAHEK-AWEZNQCLSA-N 1 1 291.439 2.649 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@@H]1C ZINC000050564742 373382397 /nfs/dbraw/zinc/38/23/97/373382397.db2.gz ZVFUQSDHWLMOGO-CHWSQXEVSA-N 1 1 271.364 2.617 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cccc2ccccc21 ZINC000053017333 373460797 /nfs/dbraw/zinc/46/07/97/373460797.db2.gz JTIXWZDMRYTESK-AWEZNQCLSA-N 1 1 282.387 2.962 20 30 CFEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052077783 373434994 /nfs/dbraw/zinc/43/49/94/373434994.db2.gz FPWFEQVPPXRKJC-CQSZACIVSA-N 1 1 278.783 2.779 20 30 CFEDMO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000052077783 373434999 /nfs/dbraw/zinc/43/49/99/373434999.db2.gz FPWFEQVPPXRKJC-CQSZACIVSA-N 1 1 278.783 2.779 20 30 CFEDMO CCOc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OC(F)F ZINC000054179195 373503026 /nfs/dbraw/zinc/50/30/26/373503026.db2.gz ZYBIUTVPIOQDNJ-JTQLQIEISA-N 1 1 284.306 2.936 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000054183656 373503578 /nfs/dbraw/zinc/50/35/78/373503578.db2.gz UIKVUNRPECIXST-CQSZACIVSA-N 1 1 254.337 2.654 20 30 CFEDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1cc(C#N)ccc1F ZINC000451723680 383691676 /nfs/dbraw/zinc/69/16/76/383691676.db2.gz ANOMIICPEQHTPS-OAHLLOKOSA-N 1 1 275.371 2.613 20 30 CFEDMO C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000057907420 373618928 /nfs/dbraw/zinc/61/89/28/373618928.db2.gz UEDZWIKDYSPFQT-LSDHHAIUSA-N 1 1 299.418 2.530 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1 ZINC000058874668 373671866 /nfs/dbraw/zinc/67/18/66/373671866.db2.gz FBJBEQRAZOJYPA-IYBDPMFKSA-N 1 1 299.418 2.911 20 30 CFEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000061702221 373722686 /nfs/dbraw/zinc/72/26/86/373722686.db2.gz CWCWGTTZUXEKNI-MRXNPFEDSA-N 1 1 279.343 2.607 20 30 CFEDMO C[N@@H+](Cc1cccc(C#N)c1)C[C@@](C)(O)c1ccccc1 ZINC000061948006 373739197 /nfs/dbraw/zinc/73/91/97/373739197.db2.gz DOTLZYSGOIEWLQ-GOSISDBHSA-N 1 1 280.371 2.898 20 30 CFEDMO N#Cc1ccc(Cl)cc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000061981095 373740486 /nfs/dbraw/zinc/74/04/86/373740486.db2.gz WXWFOVVOJORIKI-GFCCVEGCSA-N 1 1 261.756 2.860 20 30 CFEDMO C[C@H](CN[C@H](C)c1cccc(C#N)c1)C[NH+]1CCCC1 ZINC000062078857 373747234 /nfs/dbraw/zinc/74/72/34/373747234.db2.gz VPVJSOIRCZUWAA-HUUCEWRRSA-N 1 1 271.408 2.941 20 30 CFEDMO C=CC[N@@H+](CCC(=O)OCC)CCc1ccccc1 ZINC000062364298 373758938 /nfs/dbraw/zinc/75/89/38/373758938.db2.gz RPWOWFRDFWLWKS-UHFFFAOYSA-N 1 1 261.365 2.670 20 30 CFEDMO Cc1[nH+]ccn1C[C@@H](C)CNC(=O)Nc1cccc(C#N)c1 ZINC000063776582 373815300 /nfs/dbraw/zinc/81/53/00/373815300.db2.gz BVDDMPNAFYJRNY-LBPRGKRZSA-N 1 1 297.362 2.521 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2C=CCCC2)c1 ZINC000066495194 373934727 /nfs/dbraw/zinc/93/47/27/373934727.db2.gz ZGSRBLJEJDLOLP-MRXNPFEDSA-N 1 1 268.360 2.647 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2C=CCCC2)c1 ZINC000066495194 373934733 /nfs/dbraw/zinc/93/47/33/373934733.db2.gz ZGSRBLJEJDLOLP-MRXNPFEDSA-N 1 1 268.360 2.647 20 30 CFEDMO C[C@@H](CNCc1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000069681613 374084510 /nfs/dbraw/zinc/08/45/10/374084510.db2.gz LPKXYARIQXKFGV-GJZGRUSLSA-N 1 1 271.408 2.768 20 30 CFEDMO C[C@@H](CNCc1ccc(C#N)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000069681613 374084522 /nfs/dbraw/zinc/08/45/22/374084522.db2.gz LPKXYARIQXKFGV-GJZGRUSLSA-N 1 1 271.408 2.768 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(C#N)cc1 ZINC000070444201 374176009 /nfs/dbraw/zinc/17/60/09/374176009.db2.gz XWQDNHOABOQMLK-NEPJUHHUSA-N 1 1 254.337 2.704 20 30 CFEDMO COCC#CC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000677816822 541909632 /nfs/dbraw/zinc/90/96/32/541909632.db2.gz BFWBNHPXLKTYOK-QGZVFWFLSA-N 1 1 257.377 2.591 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000072663374 374274623 /nfs/dbraw/zinc/27/46/23/374274623.db2.gz FVKZDUQOISUFGE-FPCVCCKLSA-N 1 1 291.439 2.648 20 30 CFEDMO COCC#CC[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000677816889 541910219 /nfs/dbraw/zinc/91/02/19/541910219.db2.gz CPAYKZZRGTZASV-CQSZACIVSA-N 1 1 263.768 2.779 20 30 CFEDMO COCC#CC[N@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000677820386 541910956 /nfs/dbraw/zinc/91/09/56/541910956.db2.gz LXDLFDDMEPAVAK-CJNGLKHVSA-N 1 1 261.340 2.858 20 30 CFEDMO C=C(C)C[N@@H+](CC)CCC(=O)Nc1ccc(C#N)cc1 ZINC000073501102 374348766 /nfs/dbraw/zinc/34/87/66/374348766.db2.gz LCPIJDNQXNTHBB-UHFFFAOYSA-N 1 1 271.364 2.785 20 30 CFEDMO CC[C@H]1C[N@H+](Cc2cccc(C#N)c2F)CCCO1 ZINC000334143953 206067018 /nfs/dbraw/zinc/06/70/18/206067018.db2.gz GKWBNIGZQNZRSI-AWEZNQCLSA-N 1 1 262.328 2.698 20 30 CFEDMO CC[C@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCCO1 ZINC000334143953 206067022 /nfs/dbraw/zinc/06/70/22/206067022.db2.gz GKWBNIGZQNZRSI-AWEZNQCLSA-N 1 1 262.328 2.698 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)s1 ZINC000334148544 206086878 /nfs/dbraw/zinc/08/68/78/206086878.db2.gz GGEZTTQHXUMVFH-SMDDNHRTSA-N 1 1 262.378 2.621 20 30 CFEDMO CCC[C@]1(C)CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000076145666 374538435 /nfs/dbraw/zinc/53/84/35/374538435.db2.gz UNSPSKWIPAGZFS-GOEBONIOSA-N 1 1 279.428 2.649 20 30 CFEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)NCCc1ccccc1 ZINC000076736128 374557639 /nfs/dbraw/zinc/55/76/39/374557639.db2.gz BETCCVRKZWEZIH-HNNXBMFYSA-N 1 1 274.408 2.632 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@@H+](CC)Cc1ccccc1C ZINC000076946286 374558942 /nfs/dbraw/zinc/55/89/42/374558942.db2.gz NSFRVPJGWKYNMR-UHFFFAOYSA-N 1 1 287.407 2.579 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000077204321 374559669 /nfs/dbraw/zinc/55/96/69/374559669.db2.gz GDDPLXHYXGABTD-QGZVFWFLSA-N 1 1 299.418 2.894 20 30 CFEDMO CC[N@H+]1CCC[C@@H]1CNc1nc(C(F)(F)F)ccc1C#N ZINC000078832719 374571599 /nfs/dbraw/zinc/57/15/99/374571599.db2.gz IFWAQKYYRLPYPZ-LLVKDONJSA-N 1 1 298.312 2.868 20 30 CFEDMO C=C(C)C[N@@H+](CC)CC(=O)c1cc(C)n(CCOC)c1C ZINC000078322087 374569386 /nfs/dbraw/zinc/56/93/86/374569386.db2.gz JRYJIWNVSHRCHM-UHFFFAOYSA-N 1 1 292.423 2.832 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)c1cc(C)n(CCOC)c1C ZINC000078322087 374569395 /nfs/dbraw/zinc/56/93/95/374569395.db2.gz JRYJIWNVSHRCHM-UHFFFAOYSA-N 1 1 292.423 2.832 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CCOC(C)(C)C1 ZINC000091917544 375070854 /nfs/dbraw/zinc/07/08/54/375070854.db2.gz QTQFFMZNUZMXMG-UHFFFAOYSA-N 1 1 261.365 2.862 20 30 CFEDMO C=CCOc1ccccc1C[N@H+]1CCOC(C)(C)C1 ZINC000091917544 375070860 /nfs/dbraw/zinc/07/08/60/375070860.db2.gz QTQFFMZNUZMXMG-UHFFFAOYSA-N 1 1 261.365 2.862 20 30 CFEDMO CN(C[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1C#N ZINC000092631006 375132355 /nfs/dbraw/zinc/13/23/55/375132355.db2.gz LNVZYEFUYSEAQY-ZDUSSCGKSA-N 1 1 263.772 2.742 20 30 CFEDMO N#Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000093489859 375253733 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CC[N@@H+](CC(=O)Nc1sccc1C#N)[C@@H](C)C(C)C ZINC000120232328 376574952 /nfs/dbraw/zinc/57/49/52/376574952.db2.gz NVUMJMJGEQHLIO-NSHDSACASA-N 1 1 279.409 2.925 20 30 CFEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCCOC1 ZINC000120431008 376615657 /nfs/dbraw/zinc/61/56/57/376615657.db2.gz SHSIQFSHFMVBHZ-CYBMUJFWSA-N 1 1 262.328 2.556 20 30 CFEDMO C=CCC(C)(C)CNC(=O)N(CCC)[C@@H]1CC[N@@H+](C)C1 ZINC000645515369 383715038 /nfs/dbraw/zinc/71/50/38/383715038.db2.gz AAJKFEVEBYLEOD-CQSZACIVSA-N 1 1 281.444 2.714 20 30 CFEDMO CCC#C[C@H](C)[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000678975111 542104725 /nfs/dbraw/zinc/10/47/25/542104725.db2.gz QYVPVRHEXIRWGT-RDJZCZTQSA-N 1 1 257.377 2.732 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000678975111 542104728 /nfs/dbraw/zinc/10/47/28/542104728.db2.gz QYVPVRHEXIRWGT-RDJZCZTQSA-N 1 1 257.377 2.732 20 30 CFEDMO C=CC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000121320058 376805582 /nfs/dbraw/zinc/80/55/82/376805582.db2.gz LMCUMJWILSMIIC-ZIAGYGMSSA-N 1 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ZINC000128028463 377312130 /nfs/dbraw/zinc/31/21/30/377312130.db2.gz ROUCRQAPERHKMB-QGZVFWFLSA-N 1 1 288.391 2.980 20 30 CFEDMO C=CCNC(=O)C[N@H+](CCCC)[C@H]1CCC[C@H](C)C1 ZINC000571705014 383719944 /nfs/dbraw/zinc/71/99/44/383719944.db2.gz JPIQJZJZMIBFNW-GJZGRUSLSA-N 1 1 266.429 2.969 20 30 CFEDMO C#CCCNC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000264894728 190142489 /nfs/dbraw/zinc/14/24/89/190142489.db2.gz AEBGEKGFLXEGIL-UHFFFAOYSA-N 1 1 272.392 2.672 20 30 CFEDMO C=CC[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000127444471 377281275 /nfs/dbraw/zinc/28/12/75/377281275.db2.gz MCLJXPKXPDYMEW-LSDHHAIUSA-N 1 1 281.444 2.618 20 30 CFEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)O[NH+]=C(N)C(C)C ZINC000128471787 377339689 /nfs/dbraw/zinc/33/96/89/377339689.db2.gz IUVFBSCZPSYRQU-JTQLQIEISA-N 1 1 265.313 2.909 20 30 CFEDMO C=CCC[C@@H](O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000129062655 377378694 /nfs/dbraw/zinc/37/86/94/377378694.db2.gz CLXNPUIQPNRIMY-ZWKOTPCHSA-N 1 1 294.483 2.757 20 30 CFEDMO Cc1ccc(Cl)cc1NC(=O)[C@@H](C)O[NH+]=C(N)C(C)C ZINC000128591305 377349283 /nfs/dbraw/zinc/34/92/83/377349283.db2.gz QSQQVLDDCYIJAF-SNVBAGLBSA-N 1 1 297.786 2.920 20 30 CFEDMO OC[C@H]1c2ccccc2CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000129396057 377420697 /nfs/dbraw/zinc/42/06/97/377420697.db2.gz OWGHKQCSTBPHPY-IBGZPJMESA-N 1 1 295.357 2.769 20 30 CFEDMO OC[C@H]1c2ccccc2CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000129396057 377420704 /nfs/dbraw/zinc/42/07/04/377420704.db2.gz OWGHKQCSTBPHPY-IBGZPJMESA-N 1 1 295.357 2.769 20 30 CFEDMO CC[C@H]1CCCC[N@H+]1CCNc1ncccc1C#N ZINC000265002876 190151355 /nfs/dbraw/zinc/15/13/55/190151355.db2.gz VMUVNVLHHWUMDG-AWEZNQCLSA-N 1 1 258.369 2.630 20 30 CFEDMO C[N@@H+](CCC1CCOCC1)Cc1cc(C#N)cs1 ZINC000129688864 377461377 /nfs/dbraw/zinc/46/13/77/377461377.db2.gz LKFRMXJDKUBMTJ-UHFFFAOYSA-N 1 1 264.394 2.868 20 30 CFEDMO CCN(C)C(=O)CC[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000130204110 377520454 /nfs/dbraw/zinc/52/04/54/377520454.db2.gz FDIONSZIXCAXOB-CQSZACIVSA-N 1 1 287.407 2.810 20 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20 30 CFEDMO CC(C)(C)C[N@@H+](CCC#N)CCNC(=O)OC(C)(C)C ZINC000130561780 377578237 /nfs/dbraw/zinc/57/82/37/377578237.db2.gz ZJJRVPJEPMHTAL-UHFFFAOYSA-N 1 1 283.416 2.773 20 30 CFEDMO CC(C)(C)C[N@H+](CCC#N)CCNC(=O)OC(C)(C)C ZINC000130561780 377578245 /nfs/dbraw/zinc/57/82/45/377578245.db2.gz ZJJRVPJEPMHTAL-UHFFFAOYSA-N 1 1 283.416 2.773 20 30 CFEDMO N#CC1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000130891064 377626982 /nfs/dbraw/zinc/62/69/82/377626982.db2.gz LOSFMEXSSOWYSV-UHFFFAOYSA-N 1 1 280.375 2.667 20 30 CFEDMO CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(C#N)s1 ZINC000130890293 377627268 /nfs/dbraw/zinc/62/72/68/377627268.db2.gz VHWSYHIIKGSRLY-ZDUSSCGKSA-N 1 1 277.437 2.926 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CC#N)C1 ZINC000131080246 377654283 /nfs/dbraw/zinc/65/42/83/377654283.db2.gz LPPZEGOCFKFUKU-GASCZTMLSA-N 1 1 299.418 2.694 20 30 CFEDMO C=CCC(CC=C)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000131129685 377663427 /nfs/dbraw/zinc/66/34/27/377663427.db2.gz YDGSBEBSKVVPCO-UHFFFAOYSA-N 1 1 264.413 2.745 20 30 CFEDMO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000131355344 377700711 /nfs/dbraw/zinc/70/07/11/377700711.db2.gz CPTDTRNTIFKUCM-AWEZNQCLSA-N 1 1 285.391 2.865 20 30 CFEDMO Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)N(C)CCC#N)c1 ZINC000131237498 377682391 /nfs/dbraw/zinc/68/23/91/377682391.db2.gz NTSYURQXDJHRPR-QGZVFWFLSA-N 1 1 299.418 2.894 20 30 CFEDMO C=C(Cl)C[NH2+]Cc1cnc(N(CC)CC)s1 ZINC000131660437 377741709 /nfs/dbraw/zinc/74/17/09/377741709.db2.gz LEBYUPDNDCJDAX-UHFFFAOYSA-N 1 1 259.806 2.831 20 30 CFEDMO CC(C)OCCC[N@@H+](C)CCOc1ccc(C#N)cc1 ZINC000265901276 190215741 /nfs/dbraw/zinc/21/57/41/190215741.db2.gz UUNHQSCUWMSLNH-UHFFFAOYSA-N 1 1 276.380 2.684 20 30 CFEDMO C=CCC(C)(C)CNC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000432110299 383722610 /nfs/dbraw/zinc/72/26/10/383722610.db2.gz IALXWNQWISBDQO-CHWSQXEVSA-N 1 1 279.428 2.513 20 30 CFEDMO CC#CCN1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000133248387 377916229 /nfs/dbraw/zinc/91/62/29/377916229.db2.gz 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/nfs/dbraw/zinc/08/51/22/378085122.db2.gz VXLXAGAOMNNBPI-CQSZACIVSA-N 1 1 276.405 2.894 20 30 CFEDMO OC1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccccc1Cl ZINC000135070670 378079429 /nfs/dbraw/zinc/07/94/29/378079429.db2.gz GYPZNAMRVBMFFA-YIONKMFJSA-N 1 1 275.779 2.679 20 30 CFEDMO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccccc1Cl ZINC000135070670 378079432 /nfs/dbraw/zinc/07/94/32/378079432.db2.gz GYPZNAMRVBMFFA-YIONKMFJSA-N 1 1 275.779 2.679 20 30 CFEDMO C=CCCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000135654153 378153333 /nfs/dbraw/zinc/15/33/33/378153333.db2.gz YZIQKGNCRQGAHK-HNNXBMFYSA-N 1 1 260.381 2.714 20 30 CFEDMO CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)N(CC)CCC#N ZINC000135325208 378117173 /nfs/dbraw/zinc/11/71/73/378117173.db2.gz ZVBKADSOZJKTSG-CABCVRRESA-N 1 1 279.428 2.649 20 30 CFEDMO CC[C@H](C)[N@H+](CCCC#N)CC(=O)OC(C)(C)C ZINC000136346298 378195453 /nfs/dbraw/zinc/19/54/53/378195453.db2.gz NZSNZLGYTJRSGZ-LBPRGKRZSA-N 1 1 254.374 2.732 20 30 CFEDMO CC[C@H](C)[N@@H+](CCCC#N)CC(=O)OC(C)(C)C ZINC000136346298 378195457 /nfs/dbraw/zinc/19/54/57/378195457.db2.gz NZSNZLGYTJRSGZ-LBPRGKRZSA-N 1 1 254.374 2.732 20 30 CFEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CCOCC2(CC2)C1 ZINC000329325315 378454645 /nfs/dbraw/zinc/45/46/45/378454645.db2.gz WBRNMTGZPREWRU-UHFFFAOYSA-N 1 1 299.374 2.649 20 30 CFEDMO CCc1onc(C)c1NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000329590557 378466283 /nfs/dbraw/zinc/46/62/83/378466283.db2.gz TWNOFDVLPJHESL-LLVKDONJSA-N 1 1 288.351 2.901 20 30 CFEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C(=O)NCC3CC3)C2)C1 ZINC000328716844 378418233 /nfs/dbraw/zinc/41/82/33/378418233.db2.gz DZIDVCVXAPDYHL-ILXRZTDVSA-N 1 1 275.396 2.757 20 30 CFEDMO CC(C)n1cnnc1[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000328793378 378425086 /nfs/dbraw/zinc/42/50/86/378425086.db2.gz CBWQXQYSYPEKGF-RBSFLKMASA-N 1 1 287.411 2.731 20 30 CFEDMO N#Cc1cccc(CCNC(=O)[C@H]2CCC[N@H+]2C2CC2)c1 ZINC000328910390 378439463 /nfs/dbraw/zinc/43/94/63/378439463.db2.gz NJYSAMADDXGUHV-MRXNPFEDSA-N 1 1 283.375 2.684 20 30 CFEDMO Cc1noc(C)c1CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000329724519 378487709 /nfs/dbraw/zinc/48/77/09/378487709.db2.gz BPPUUHAUOHLQEU-LBPRGKRZSA-N 1 1 288.351 2.515 20 30 CFEDMO C[N@H+]1CCCN(c2ccc(C(F)(F)F)c(C#N)c2)CC1 ZINC000154078192 378538461 /nfs/dbraw/zinc/53/84/61/378538461.db2.gz HSILVITXZMHKNX-UHFFFAOYSA-N 1 1 283.297 2.719 20 30 CFEDMO N#CC1(CCC[N@@H+]2CCCC[C@H]2CC(N)=O)CCOCC1 ZINC000330382334 378540475 /nfs/dbraw/zinc/54/04/75/378540475.db2.gz IWYSAFVWVUSJCB-AWEZNQCLSA-N 1 1 293.411 2.867 20 30 CFEDMO Cc1noc(C(C)C)c1C(=O)NCC[N@H+](C)C(C)C ZINC000330421766 378550511 /nfs/dbraw/zinc/55/05/11/378550511.db2.gz AQDKUYCDBMGMLW-UHFFFAOYSA-N 1 1 267.373 2.751 20 30 CFEDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000330445191 378557523 /nfs/dbraw/zinc/55/75/23/378557523.db2.gz DEYAAPUABAWSIM-ILXRZTDVSA-N 1 1 278.396 2.732 20 30 CFEDMO CC(C)OC(=O)C[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000330445192 378558008 /nfs/dbraw/zinc/55/80/08/378558008.db2.gz DEYAAPUABAWSIM-KKUMJFAQSA-N 1 1 278.396 2.732 20 30 CFEDMO O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000330250638 378528893 /nfs/dbraw/zinc/52/88/93/378528893.db2.gz HHCWSACAALHOEZ-ZNMIVQPWSA-N 1 1 280.412 2.653 20 30 CFEDMO O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000330250636 378529248 /nfs/dbraw/zinc/52/92/48/378529248.db2.gz HHCWSACAALHOEZ-KKUMJFAQSA-N 1 1 280.412 2.653 20 30 CFEDMO O=C(N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000330296200 378532186 /nfs/dbraw/zinc/53/21/86/378532186.db2.gz JYJJARJWSLOODZ-LZWOXQAQSA-N 1 1 292.423 2.677 20 30 CFEDMO C#CC[N@H+](Cc1nc(-c2ccoc2)no1)C1CCCC1 ZINC000155802777 378631363 /nfs/dbraw/zinc/63/13/63/378631363.db2.gz CQLXNLQFZKZFJU-UHFFFAOYSA-N 1 1 271.320 2.707 20 30 CFEDMO C#CC[N@@H+](Cc1nc(-c2ccoc2)no1)C1CCCC1 ZINC000155802777 378631370 /nfs/dbraw/zinc/63/13/70/378631370.db2.gz CQLXNLQFZKZFJU-UHFFFAOYSA-N 1 1 271.320 2.707 20 30 CFEDMO COCC[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCC[C@@H]1C ZINC000571816181 383730503 /nfs/dbraw/zinc/73/05/03/383730503.db2.gz RTABSTKKCZKLMX-XJKSGUPXSA-N 1 1 273.380 2.590 20 30 CFEDMO C#CC[N@H+](CC(=O)N[C@@H](C)c1cccs1)C1CCCC1 ZINC000155785256 378632446 /nfs/dbraw/zinc/63/24/46/378632446.db2.gz LFJMEAWFECDGSD-ZDUSSCGKSA-N 1 1 290.432 2.803 20 30 CFEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1 ZINC000156145936 378636580 /nfs/dbraw/zinc/63/65/80/378636580.db2.gz BNLWULQXSPFUNE-ZDUSSCGKSA-N 1 1 289.379 2.621 20 30 CFEDMO COc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C#N ZINC000266134836 190233480 /nfs/dbraw/zinc/23/34/80/190233480.db2.gz FCZRPEPIGVYJQB-ALOPSCKCSA-N 1 1 299.418 2.672 20 30 CFEDMO COc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C#N ZINC000266134836 190233481 /nfs/dbraw/zinc/23/34/81/190233481.db2.gz FCZRPEPIGVYJQB-ALOPSCKCSA-N 1 1 299.418 2.672 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)oc1C ZINC000330668424 378595745 /nfs/dbraw/zinc/59/57/45/378595745.db2.gz JRZWFAUHCWFWON-LBPRGKRZSA-N 1 1 275.352 2.639 20 30 CFEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636156174 383730232 /nfs/dbraw/zinc/73/02/32/383730232.db2.gz KKZXDVBTFCCBOP-ZNMIVQPWSA-N 1 1 264.413 2.579 20 30 CFEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000155146421 378613042 /nfs/dbraw/zinc/61/30/42/378613042.db2.gz AXXYZQOZUGTEOB-CQSZACIVSA-N 1 1 254.418 2.918 20 30 CFEDMO CC[N@@H+](CCC(=O)Nc1cccc(F)c1)C[C@@H](C)C#N ZINC000157654497 378657265 /nfs/dbraw/zinc/65/72/65/378657265.db2.gz CSYKRPRMDUYXHT-LBPRGKRZSA-N 1 1 277.343 2.636 20 30 CFEDMO CC[N@@H+](Cc1ccc(-n2cccn2)cc1)C[C@H](C)C#N ZINC000157643048 378657612 /nfs/dbraw/zinc/65/76/12/378657612.db2.gz BGZMUANMCKPNPX-CQSZACIVSA-N 1 1 268.364 2.854 20 30 CFEDMO CC[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@H](C)C#N ZINC000157643048 378657620 /nfs/dbraw/zinc/65/76/20/378657620.db2.gz BGZMUANMCKPNPX-CQSZACIVSA-N 1 1 268.364 2.854 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](CC)CC1CC1 ZINC000157953437 378660767 /nfs/dbraw/zinc/66/07/67/378660767.db2.gz CYAVJKUIHFKQNX-ZDUSSCGKSA-N 1 1 252.402 2.531 20 30 CFEDMO CC#CC[N@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158145981 378664127 /nfs/dbraw/zinc/66/41/27/378664127.db2.gz WUXQXFCEXAADGY-UHFFFAOYSA-N 1 1 272.175 2.811 20 30 CFEDMO CC#CC[N@@H+](CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000158145981 378664130 /nfs/dbraw/zinc/66/41/30/378664130.db2.gz WUXQXFCEXAADGY-UHFFFAOYSA-N 1 1 272.175 2.811 20 30 CFEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)[C@@H](C)CC ZINC000158157066 378664380 /nfs/dbraw/zinc/66/43/80/378664380.db2.gz BXXPWJUGPAXJAT-HOCLYGCPSA-N 1 1 277.408 2.885 20 30 CFEDMO C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000158345118 378667842 /nfs/dbraw/zinc/66/78/42/378667842.db2.gz WFFIZPHFBBIWCE-INIZCTEOSA-N 1 1 280.412 2.895 20 30 CFEDMO CCCCCCC[N@H+]1CCC[C@H]1c1nncn1C ZINC000157112645 378649327 /nfs/dbraw/zinc/64/93/27/378649327.db2.gz WPZTUOCBLFAMJL-ZDUSSCGKSA-N 1 1 250.390 2.922 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000332266593 378741314 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194100035 /nfs/dbraw/zinc/10/00/35/194100035.db2.gz LDSQIPAVSIVSEL-SECBINFHSA-N 1 1 284.816 2.954 20 30 CFEDMO C#C[C@@H](C)[NH2+]Cc1ccc(F)cc1Br ZINC000166731810 379060282 /nfs/dbraw/zinc/06/02/82/379060282.db2.gz AVMWDOWZABJJJH-MRVPVSSYSA-N 1 1 256.118 2.700 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)ccc1F ZINC000335325046 379090933 /nfs/dbraw/zinc/09/09/33/379090933.db2.gz JTKOPVFUYKYOIG-HNNXBMFYSA-N 1 1 288.366 2.946 20 30 CFEDMO CC(C)(C#N)CN[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000168925846 379101156 /nfs/dbraw/zinc/10/11/56/379101156.db2.gz ZRJKQAZDLJMLSM-INIZCTEOSA-N 1 1 271.408 2.790 20 30 CFEDMO CC(C)(C#N)CN[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000168925846 379101164 /nfs/dbraw/zinc/10/11/64/379101164.db2.gz ZRJKQAZDLJMLSM-INIZCTEOSA-N 1 1 271.408 2.790 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000335330758 379102357 /nfs/dbraw/zinc/10/23/57/379102357.db2.gz LKPDMIMMKCANAZ-KRWDZBQOSA-N 1 1 270.376 2.807 20 30 CFEDMO C=CCSCCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC 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C=CCC(C)(C)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000334567497 379542750 /nfs/dbraw/zinc/54/27/50/379542750.db2.gz WUWGRXMZNPCWAS-KBPBESRZSA-N 1 1 264.413 2.531 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000266967209 190294169 /nfs/dbraw/zinc/29/41/69/190294169.db2.gz YOZUOQDFLJLTQL-HNNXBMFYSA-N 1 1 266.348 2.661 20 30 CFEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1 ZINC000335659743 379676566 /nfs/dbraw/zinc/67/65/66/379676566.db2.gz QTWIRXJVIYKQKQ-TZMCWYRMSA-N 1 1 262.378 2.621 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)c1 ZINC000334637561 379679353 /nfs/dbraw/zinc/67/93/53/379679353.db2.gz XBAUFDGYJNSYPM-QGZVFWFLSA-N 1 1 297.402 2.535 20 30 CFEDMO C[C@H]1c2ccccc2C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000335691648 379730474 /nfs/dbraw/zinc/73/04/74/379730474.db2.gz PLQCSXJXTGROKK-LBPRGKRZSA-N 1 1 251.333 2.974 20 30 CFEDMO C[C@H]1c2ccccc2C[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000335691648 379730479 /nfs/dbraw/zinc/73/04/79/379730479.db2.gz PLQCSXJXTGROKK-LBPRGKRZSA-N 1 1 251.333 2.974 20 30 CFEDMO CC[N@H+]1CCC[C@H]1CNc1ccc(Cl)c(C#N)n1 ZINC000267272408 190316708 /nfs/dbraw/zinc/31/67/08/190316708.db2.gz ZXXDHDZMJTXXTB-JTQLQIEISA-N 1 1 264.760 2.503 20 30 CFEDMO N#Cc1ccc(-c2nnc(C[NH+]3CCCCC3)o2)cc1 ZINC000173507554 379746987 /nfs/dbraw/zinc/74/69/87/379746987.db2.gz ABVAEKVDJKDVJQ-UHFFFAOYSA-N 1 1 268.320 2.594 20 30 CFEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000173559070 379752372 /nfs/dbraw/zinc/75/23/72/379752372.db2.gz BGURPMFUPRGORB-AAEUAGOBSA-N 1 1 289.404 2.823 20 30 CFEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000173559070 379752376 /nfs/dbraw/zinc/75/23/76/379752376.db2.gz BGURPMFUPRGORB-AAEUAGOBSA-N 1 1 289.404 2.823 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000334684518 379763149 /nfs/dbraw/zinc/76/31/49/379763149.db2.gz ZQIGIOVYHKDRQN-QGZVFWFLSA-N 1 1 270.376 2.949 20 30 CFEDMO CC(C)[N@@H+](CCC(C)(C)O)Cc1ccc(C#N)cc1 ZINC000267493319 190334423 /nfs/dbraw/zinc/33/44/23/190334423.db2.gz ZSNGHDZMOMVWFJ-UHFFFAOYSA-N 1 1 260.381 2.930 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C#N)cc2)C[C@H]1C ZINC000335759916 379844038 /nfs/dbraw/zinc/84/40/38/379844038.db2.gz SVLCATCICLBTPH-CJNGLKHVSA-N 1 1 285.391 2.503 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2cnn(-c3ccccc3)c2)o1 ZINC000174260434 379852718 /nfs/dbraw/zinc/85/27/18/379852718.db2.gz DOFOKZQUEBTGSD-UHFFFAOYSA-N 1 1 278.315 2.627 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCOCC3(CCC3)C2)c1F ZINC000335743679 379817616 /nfs/dbraw/zinc/81/76/16/379817616.db2.gz LGBPNTOXMVNNEK-UHFFFAOYSA-N 1 1 274.339 2.700 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCOCC3(CCC3)C2)c1F ZINC000335743679 379817623 /nfs/dbraw/zinc/81/76/23/379817623.db2.gz LGBPNTOXMVNNEK-UHFFFAOYSA-N 1 1 274.339 2.700 20 30 CFEDMO N#Cc1cccc([C@@H]2C[N@H+](CC3CCC3)CCO2)c1 ZINC000335798399 379906709 /nfs/dbraw/zinc/90/67/09/379906709.db2.gz SRLNMRICOOBSON-INIZCTEOSA-N 1 1 256.349 2.732 20 30 CFEDMO N#Cc1cccc([C@@H]2C[N@@H+](CC3CCC3)CCO2)c1 ZINC000335798399 379906715 /nfs/dbraw/zinc/90/67/15/379906715.db2.gz SRLNMRICOOBSON-INIZCTEOSA-N 1 1 256.349 2.732 20 30 CFEDMO N#CC1(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000335121935 379976386 /nfs/dbraw/zinc/97/63/86/379976386.db2.gz YFUKDTFHRMBANH-AWEZNQCLSA-N 1 1 260.381 2.571 20 30 CFEDMO C#Cc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000174784547 379938841 /nfs/dbraw/zinc/93/88/41/379938841.db2.gz PJEDRWMCDMIRBJ-CJNGLKHVSA-N 1 1 285.391 2.614 20 30 CFEDMO N#Cc1ccc(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)cc1 ZINC000335830880 379961401 /nfs/dbraw/zinc/96/14/01/379961401.db2.gz QDADAAYMSBWSAH-UHFFFAOYSA-N 1 1 297.402 2.506 20 30 CFEDMO Cc1cc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)on1 ZINC000335183907 379991048 /nfs/dbraw/zinc/99/10/48/379991048.db2.gz CKZHCBPZCQNGOM-HNNXBMFYSA-N 1 1 253.305 2.632 20 30 CFEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000335855520 380000826 /nfs/dbraw/zinc/00/08/26/380000826.db2.gz GMKHXAKXFFXQHB-ZIAGYGMSSA-N 1 1 274.339 2.556 20 30 CFEDMO CN(C)c1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000267857482 190359415 /nfs/dbraw/zinc/35/94/15/190359415.db2.gz FRRBHYPOOPRJFL-UHFFFAOYSA-N 1 1 255.321 2.507 20 30 CFEDMO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000335205748 380006463 /nfs/dbraw/zinc/00/64/63/380006463.db2.gz ICOHGBGUJAQVTK-CYBMUJFWSA-N 1 1 264.756 2.557 20 30 CFEDMO CC1(C)[C@H](O)CC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000335205748 380006470 /nfs/dbraw/zinc/00/64/70/380006470.db2.gz ICOHGBGUJAQVTK-CYBMUJFWSA-N 1 1 264.756 2.557 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000175252577 380028770 /nfs/dbraw/zinc/02/87/70/380028770.db2.gz IDCHTAWHOVUJDD-CHWSQXEVSA-N 1 1 293.436 2.691 20 30 CFEDMO C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCC#N ZINC000175395094 380057882 /nfs/dbraw/zinc/05/78/82/380057882.db2.gz BTICISYNDVHHPQ-SGTLLEGYSA-N 1 1 264.394 2.721 20 30 CFEDMO C[N@H+]1CCC[C@@]2(CCN(Cc3cccc(C#N)c3F)C2)C1 ZINC000335895668 380067976 /nfs/dbraw/zinc/06/79/76/380067976.db2.gz MXCFZNJQYCHERC-QGZVFWFLSA-N 1 1 287.382 2.615 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)c1 ZINC000268081094 190375320 /nfs/dbraw/zinc/37/53/20/190375320.db2.gz GLVVOQSGLROSFC-SFHVURJKSA-N 1 1 278.355 2.650 20 30 CFEDMO C[C@@H]1CC(C)(C)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000335260403 380097894 /nfs/dbraw/zinc/09/78/94/380097894.db2.gz HRXQZLBPYMAHNE-GFCCVEGCSA-N 1 1 268.364 2.826 20 30 CFEDMO C=C(C)C[N@@H+]1CCCN(c2cc(OC)cc(OC)c2)CC1 ZINC000268280486 190392739 /nfs/dbraw/zinc/39/27/39/190392739.db2.gz PBPGAJHARTXEJK-UHFFFAOYSA-N 1 1 290.407 2.792 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(C#N)cc1F ZINC000336002512 380221447 /nfs/dbraw/zinc/22/14/47/380221447.db2.gz IJMRVWRYEGXKIG-CMPLNLGQSA-N 1 1 284.338 2.629 20 30 CFEDMO C=CC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000336193950 380284697 /nfs/dbraw/zinc/28/46/97/380284697.db2.gz GELVROYGMWROTQ-DZGCQCFKSA-N 1 1 276.424 2.674 20 30 CFEDMO N#CCC1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000336263754 380300612 /nfs/dbraw/zinc/30/06/12/380300612.db2.gz QGMILMWEILEZFB-UHFFFAOYSA-N 1 1 257.312 2.823 20 30 CFEDMO C[N@H+](CCC#N)CCC(=O)Nc1cccc(Cl)c1 ZINC000177188224 380313465 /nfs/dbraw/zinc/31/34/65/380313465.db2.gz QJDDMOPOXAXELA-UHFFFAOYSA-N 1 1 265.744 2.514 20 30 CFEDMO C[N@@H+](CCC#N)CCC(=O)Nc1cccc(Cl)c1 ZINC000177188224 380313470 /nfs/dbraw/zinc/31/34/70/380313470.db2.gz QJDDMOPOXAXELA-UHFFFAOYSA-N 1 1 265.744 2.514 20 30 CFEDMO CSc1ccccc1NC(=O)CC[N@H+](C)CCC#N ZINC000177192742 380313628 /nfs/dbraw/zinc/31/36/28/380313628.db2.gz UQTLZFOKIVTUAA-UHFFFAOYSA-N 1 1 277.393 2.583 20 30 CFEDMO CSc1ccccc1NC(=O)CC[N@@H+](C)CCC#N ZINC000177192742 380313635 /nfs/dbraw/zinc/31/36/35/380313635.db2.gz UQTLZFOKIVTUAA-UHFFFAOYSA-N 1 1 277.393 2.583 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCCO1 ZINC000336496573 380366286 /nfs/dbraw/zinc/36/62/86/380366286.db2.gz DBMATKDGNSOXKL-CQSZACIVSA-N 1 1 262.328 2.698 20 30 CFEDMO O=C(C[N@@H+](C1CC1)C1CCCCC1)Nc1nncs1 ZINC000048894796 412926706 /nfs/dbraw/zinc/92/67/06/412926706.db2.gz XHEBYXDSOSLKHK-UHFFFAOYSA-N 1 1 280.397 2.923 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c(F)c1 ZINC000336528461 380418561 /nfs/dbraw/zinc/41/85/61/380418561.db2.gz HKBPYXVUALZTBF-GOEBONIOSA-N 1 1 274.339 2.698 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000336572433 380486766 /nfs/dbraw/zinc/48/67/66/380486766.db2.gz UWYBHSYFSUCRSK-IAQYHMDHSA-N 1 1 257.337 2.867 20 30 CFEDMO Cc1noc([C@H]2CCC[N@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC000178921494 380493699 /nfs/dbraw/zinc/49/36/99/380493699.db2.gz PYTQWAGBDNIRRC-HNNXBMFYSA-N 1 1 299.349 2.748 20 30 CFEDMO Cc1noc([C@H]2CCC[N@@H+](CC#Cc3ccc(F)cc3)C2)n1 ZINC000178921494 380493705 /nfs/dbraw/zinc/49/37/05/380493705.db2.gz PYTQWAGBDNIRRC-HNNXBMFYSA-N 1 1 299.349 2.748 20 30 CFEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](C4CC4)C3)n2c1 ZINC000336561592 380468866 /nfs/dbraw/zinc/46/88/66/380468866.db2.gz ABVQWOPSIFFFPZ-OAHLLOKOSA-N 1 1 280.375 2.828 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1F ZINC000336615874 380554045 /nfs/dbraw/zinc/55/40/45/380554045.db2.gz JROMCMKIKQJQNG-HOCLYGCPSA-N 1 1 288.366 2.946 20 30 CFEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CC1(C)COC1 ZINC000336798802 380648752 /nfs/dbraw/zinc/64/87/52/380648752.db2.gz GJSLKGQBDGBDAA-UHFFFAOYSA-N 1 1 258.365 2.805 20 30 CFEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@H](CO)C(C)C ZINC000179923329 380597460 /nfs/dbraw/zinc/59/74/60/380597460.db2.gz FGDKACQHXGITRR-MRXNPFEDSA-N 1 1 263.381 2.700 20 30 CFEDMO C=CCC(C)(C)CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000432564058 383747854 /nfs/dbraw/zinc/74/78/54/383747854.db2.gz YWEWSMYHTSZBDW-KBPBESRZSA-N 1 1 279.428 2.515 20 30 CFEDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000179964611 380603964 /nfs/dbraw/zinc/60/39/64/380603964.db2.gz FSYMIIDJXZOGIR-GFCCVEGCSA-N 1 1 292.404 2.783 20 30 CFEDMO C=CCC(C)(C)CNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000432577243 383749170 /nfs/dbraw/zinc/74/91/70/383749170.db2.gz YHVVHVNRJPBBQM-ZIAGYGMSSA-N 1 1 281.444 2.713 20 30 CFEDMO C=CCCC[C@@H](C)NC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000180907538 380712034 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382210021 /nfs/dbraw/zinc/21/00/21/382210021.db2.gz IVKJCJHNYYKIOT-UHFFFAOYSA-N 1 1 264.756 2.929 20 30 CFEDMO C=CC[N@H+](CC(=O)Nc1ccccc1Cl)C1CC1 ZINC000357527310 382210025 /nfs/dbraw/zinc/21/00/25/382210025.db2.gz IVKJCJHNYYKIOT-UHFFFAOYSA-N 1 1 264.756 2.929 20 30 CFEDMO C[C@@H]1CCC[C@@H](C)[NH+]1CCNCc1ccc(C#N)s1 ZINC000344224622 382211192 /nfs/dbraw/zinc/21/11/92/382211192.db2.gz QUXTZJPRZHDZBD-CHWSQXEVSA-N 1 1 277.437 2.972 20 30 CFEDMO C[C@@H]1CCC[C@@H](C)N1CC[NH2+]Cc1ccc(C#N)o1 ZINC000344226982 382214121 /nfs/dbraw/zinc/21/41/21/382214121.db2.gz UKAYCLVJWGBYBR-CHWSQXEVSA-N 1 1 261.369 2.504 20 30 CFEDMO C[C@@H](NC(=O)[C@@H]1CCCc2[nH+]ccn21)c1ccc(C#N)cc1 ZINC000352193238 382216292 /nfs/dbraw/zinc/21/62/92/382216292.db2.gz ZAHKJOWBUAQKNF-DOMZBBRYSA-N 1 1 294.358 2.510 20 30 CFEDMO Cn1cc(CNc2[nH+]cccc2N2CCCC2)cc1C#N ZINC000377130245 382221421 /nfs/dbraw/zinc/22/14/21/382221421.db2.gz CRGYSVVJTQJSSG-UHFFFAOYSA-N 1 1 281.363 2.504 20 30 CFEDMO CC[C@@]1(C)CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000344243592 382225791 /nfs/dbraw/zinc/22/57/91/382225791.db2.gz VBLABOUYEATWBR-INIZCTEOSA-N 1 1 271.364 2.619 20 30 CFEDMO CCC[N@@H+](C)CC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000352206388 382227179 /nfs/dbraw/zinc/22/71/79/382227179.db2.gz MPOYLMXJDXSPPP-INIZCTEOSA-N 1 1 287.407 2.880 20 30 CFEDMO Cc1nnc(N[C@@H]2C[N@@H+](C)Cc3ccccc32)c(C#N)c1C ZINC000363449457 382233832 /nfs/dbraw/zinc/23/38/32/382233832.db2.gz LAUUHJNMXHSMAC-MRXNPFEDSA-N 1 1 293.374 2.564 20 30 CFEDMO Cc1nnc(N[C@@H]2C[N@H+](C)Cc3ccccc32)c(C#N)c1C ZINC000363449457 382233838 /nfs/dbraw/zinc/23/38/38/382233838.db2.gz LAUUHJNMXHSMAC-MRXNPFEDSA-N 1 1 293.374 2.564 20 30 CFEDMO CN(CC[N@@H+](C)C1CC1)c1cc(Cl)ccc1C#N ZINC000302281826 382234991 /nfs/dbraw/zinc/23/49/91/382234991.db2.gz VARHTGBBBICMGO-UHFFFAOYSA-N 1 1 263.772 2.742 20 30 CFEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000419338500 382292037 /nfs/dbraw/zinc/29/20/37/382292037.db2.gz 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C=C(C)CC[N@@H+]1CC[C@@](C(=O)OCC)(C(C)C)C1 ZINC000352409051 382314003 /nfs/dbraw/zinc/31/40/03/382314003.db2.gz XTVCKXJNGTVWOT-HNNXBMFYSA-N 1 1 253.386 2.864 20 30 CFEDMO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000364347866 382314217 /nfs/dbraw/zinc/31/42/17/382314217.db2.gz RHOUATXFDKHZTQ-JKSUJKDBSA-N 1 1 291.439 2.792 20 30 CFEDMO CC[C@@H](NC[C@@H](C)C[NH+](C)C)c1ccc(C#N)cc1 ZINC000293872119 382315724 /nfs/dbraw/zinc/31/57/24/382315724.db2.gz YGHSAJHSBJQNHQ-CZUORRHYSA-N 1 1 259.397 2.797 20 30 CFEDMO CC[C@@H]([NH2+]C[C@@H](C)CN(C)C)c1ccc(C#N)cc1 ZINC000293872119 382315728 /nfs/dbraw/zinc/31/57/28/382315728.db2.gz YGHSAJHSBJQNHQ-CZUORRHYSA-N 1 1 259.397 2.797 20 30 CFEDMO C[C@@H](C#N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000345819652 382316096 /nfs/dbraw/zinc/31/60/96/382316096.db2.gz SBZKBMIMPUDBPL-LSDHHAIUSA-N 1 1 299.418 2.837 20 30 CFEDMO C[C@@H](CC#N)[N@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000345874971 382319784 /nfs/dbraw/zinc/31/97/84/382319784.db2.gz USPMMHJPUAMIGK-NSHDSACASA-N 1 1 279.771 2.903 20 30 CFEDMO C[C@@H](CC#N)[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000345874971 382319788 /nfs/dbraw/zinc/31/97/88/382319788.db2.gz USPMMHJPUAMIGK-NSHDSACASA-N 1 1 279.771 2.903 20 30 CFEDMO CC(C)(C#N)CC[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000345956158 382324093 /nfs/dbraw/zinc/32/40/93/382324093.db2.gz TZURUJGNZWVFKE-UHFFFAOYSA-N 1 1 291.361 2.885 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000345956158 382324097 /nfs/dbraw/zinc/32/40/97/382324097.db2.gz TZURUJGNZWVFKE-UHFFFAOYSA-N 1 1 291.361 2.885 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCNc1c(C#N)cccc1C#N ZINC000302827822 382329520 /nfs/dbraw/zinc/32/95/20/382329520.db2.gz IFEMZMRGPQKZRK-ZDUSSCGKSA-N 1 1 268.364 2.716 20 30 CFEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1c(C#N)cccc1C#N ZINC000302829177 382329804 /nfs/dbraw/zinc/32/98/04/382329804.db2.gz JMDGXAMZVWPLRV-UONOGXRCSA-N 1 1 282.391 2.962 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000352437884 382332305 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C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000248180820 383218250 /nfs/dbraw/zinc/21/82/50/383218250.db2.gz WKBJAWMENWDXTI-HOCLYGCPSA-N 1 1 260.381 2.854 20 30 CFEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](C)[C@@H]1C ZINC000248343536 383226288 /nfs/dbraw/zinc/22/62/88/383226288.db2.gz KKXWVELOVBVWCV-STQMWFEESA-N 1 1 274.364 2.676 20 30 CFEDMO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000424685428 383229478 /nfs/dbraw/zinc/22/94/78/383229478.db2.gz HJLALQBHQBKCHV-OAHLLOKOSA-N 1 1 278.440 2.969 20 30 CFEDMO Cc1[nH+]c(NCC(C)(C)CCC#N)ccc1-c1cnn(C)c1 ZINC000449346705 383229764 /nfs/dbraw/zinc/22/97/64/383229764.db2.gz OPJYYDOYSHPAIT-UHFFFAOYSA-N 1 1 297.406 2.954 20 30 CFEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H]2C)c(C#N)c1C ZINC000248369945 383229921 /nfs/dbraw/zinc/22/99/21/383229921.db2.gz WVXHAXSNPVJHHY-USWWRNFRSA-N 1 1 289.379 2.825 20 30 CFEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H]2C)c(C#N)c1C ZINC000248369945 383229927 /nfs/dbraw/zinc/22/99/27/383229927.db2.gz 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C=CCOCC[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000339021169 393811096 /nfs/dbraw/zinc/81/10/96/393811096.db2.gz NFLMZHJSTHYJBU-UHFFFAOYSA-N 1 1 289.419 2.996 20 30 CFEDMO C=CCOCC[N@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000339045439 393812238 /nfs/dbraw/zinc/81/22/38/393812238.db2.gz UXUZNABRLDDRDW-CJNGLKHVSA-N 1 1 261.365 2.513 20 30 CFEDMO C=CCOCC[N@@H+](CCc1nccs1)C(C)C ZINC000339051779 393814185 /nfs/dbraw/zinc/81/41/85/393814185.db2.gz DXQXRRRTJKNPJZ-UHFFFAOYSA-N 1 1 254.399 2.599 20 30 CFEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@H](C3CCCCC3)C2)C1 ZINC000339089147 393818484 /nfs/dbraw/zinc/81/84/84/393818484.db2.gz LTVZZHLSFIZZOS-KBMXLJTQSA-N 1 1 262.397 2.960 20 30 CFEDMO CC(C)[C@H]1C[N@H+](Cc2cccc(F)c2C#N)CCCO1 ZINC000339815476 393833126 /nfs/dbraw/zinc/83/31/26/393833126.db2.gz AXEVYVIDIBPLLH-MRXNPFEDSA-N 1 1 276.355 2.944 20 30 CFEDMO CC(C)[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)CCCO1 ZINC000339815476 393833128 /nfs/dbraw/zinc/83/31/28/393833128.db2.gz AXEVYVIDIBPLLH-MRXNPFEDSA-N 1 1 276.355 2.944 20 30 CFEDMO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc(C#N)n1 ZINC000342781795 393870240 /nfs/dbraw/zinc/87/02/40/393870240.db2.gz NWPULDKMUUWOPE-KBXCAEBGSA-N 1 1 296.418 2.715 20 30 CFEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000342857274 393872613 /nfs/dbraw/zinc/87/26/13/393872613.db2.gz LNCYDSUTQZWURJ-HUUCEWRRSA-N 1 1 264.413 2.840 20 30 CFEDMO C=C(C)[C@H]1OCC[C@H]1CNc1cc[nH+]cc1Br ZINC000343042723 393878513 /nfs/dbraw/zinc/87/85/13/393878513.db2.gz BXHMCQRSXKNBKQ-GXFFZTMASA-N 1 1 297.196 2.659 20 30 CFEDMO C[C@H](CNC(=O)c1cccc(CC#N)c1)[N@H+]1CCCC[C@@H]1C ZINC000343070534 393879246 /nfs/dbraw/zinc/87/92/46/393879246.db2.gz DQXPRFAXRBYFQA-LSDHHAIUSA-N 1 1 299.418 2.745 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000343217814 393881985 /nfs/dbraw/zinc/88/19/85/393881985.db2.gz PNRPSBMJSWAECJ-WBVHZDCISA-N 1 1 299.418 2.659 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000425533016 393882054 /nfs/dbraw/zinc/88/20/54/393882054.db2.gz DDQRIEHLDYMFED-HUUCEWRRSA-N 1 1 299.418 2.810 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000425533016 393882056 /nfs/dbraw/zinc/88/20/56/393882056.db2.gz DDQRIEHLDYMFED-HUUCEWRRSA-N 1 1 299.418 2.810 20 30 CFEDMO C[C@H]1CCSCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459427755 393882569 /nfs/dbraw/zinc/88/25/69/393882569.db2.gz VIPQZBWJZMBJQD-NSHDSACASA-N 1 1 291.376 2.794 20 30 CFEDMO C[C@H]1CCSCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459427755 393882571 /nfs/dbraw/zinc/88/25/71/393882571.db2.gz VIPQZBWJZMBJQD-NSHDSACASA-N 1 1 291.376 2.794 20 30 CFEDMO CSC[C@H]1CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459352761 393882600 /nfs/dbraw/zinc/88/26/00/393882600.db2.gz SBIYISMTFMRGRW-GFCCVEGCSA-N 1 1 291.376 2.794 20 30 CFEDMO CSC[C@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459352761 393882602 /nfs/dbraw/zinc/88/26/02/393882602.db2.gz SBIYISMTFMRGRW-GFCCVEGCSA-N 1 1 291.376 2.794 20 30 CFEDMO C[C@@H]1CCSCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459427753 393882940 /nfs/dbraw/zinc/88/29/40/393882940.db2.gz VIPQZBWJZMBJQD-LLVKDONJSA-N 1 1 291.376 2.794 20 30 CFEDMO C[C@@H]1CCSCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459427753 393882944 /nfs/dbraw/zinc/88/29/44/393882944.db2.gz VIPQZBWJZMBJQD-LLVKDONJSA-N 1 1 291.376 2.794 20 30 CFEDMO C[C@@H]1CC[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]1C ZINC000459370240 393882962 /nfs/dbraw/zinc/88/29/62/393882962.db2.gz XKVKUNJCWYHWPJ-GHMZBOCLSA-N 1 1 259.309 2.697 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2c(C#N)cccc2[N+](=O)[O-])[C@@H]1C ZINC000459370240 393882965 /nfs/dbraw/zinc/88/29/65/393882965.db2.gz XKVKUNJCWYHWPJ-GHMZBOCLSA-N 1 1 259.309 2.697 20 30 CFEDMO C=CC[C@H](C(=O)N1CC[N@H+](C)CC[C@@H]1C)c1ccccc1 ZINC000426831617 393890413 /nfs/dbraw/zinc/89/04/13/393890413.db2.gz FQWOBYSJXNYKII-RDJZCZTQSA-N 1 1 286.419 2.899 20 30 CFEDMO C=CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000427498998 393893307 /nfs/dbraw/zinc/89/33/07/393893307.db2.gz ZFYFORFUNLLMCU-UAGQMJEPSA-N 1 1 286.419 2.945 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)N(CC(F)(F)F)C(C)C ZINC000114712629 393901127 /nfs/dbraw/zinc/90/11/27/393901127.db2.gz YKNPTDWDUVMJRG-UHFFFAOYSA-N 1 1 280.334 2.684 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)N(CC(C)C)C(C)C ZINC000114712451 393901566 /nfs/dbraw/zinc/90/15/66/393901566.db2.gz SZAFGSUIBBZPPM-UHFFFAOYSA-N 1 1 254.418 2.777 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cc(C#N)ccn2)C1 ZINC000341738115 393857297 /nfs/dbraw/zinc/85/72/97/393857297.db2.gz ZYDRXPQULPFFSC-IJEWVQPXSA-N 1 1 284.407 2.795 20 30 CFEDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cccc(F)c1C#N ZINC000428936751 393923253 /nfs/dbraw/zinc/92/32/53/393923253.db2.gz BXCGSDSFPKQFRP-CMSWKTDVSA-N 1 1 286.350 2.553 20 30 CFEDMO C=CCCCC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000346242063 393924400 /nfs/dbraw/zinc/92/44/00/393924400.db2.gz RGKSRROHHKHFLL-RBSFLKMASA-N 1 1 264.413 2.531 20 30 CFEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000346272683 393925266 /nfs/dbraw/zinc/92/52/66/393925266.db2.gz ZOWLAIHSIQWLPM-CQSZACIVSA-N 1 1 277.412 2.616 20 30 CFEDMO CCC[C@]1(CO)CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428965023 393927380 /nfs/dbraw/zinc/92/73/80/393927380.db2.gz PXOSIBQTOXXPJK-MRXNPFEDSA-N 1 1 276.355 2.824 20 30 CFEDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2cccc(F)c2C#N)C1 ZINC000428973369 393928858 /nfs/dbraw/zinc/92/88/58/393928858.db2.gz YMGRVVOOZZUFHU-OCCSQVGLSA-N 1 1 276.355 2.680 20 30 CFEDMO NC(CCCc1ccccc1)=[NH+]OCc1ccccn1 ZINC000120207699 393931356 /nfs/dbraw/zinc/93/13/56/393931356.db2.gz MFDDQAGZOUDOOE-UHFFFAOYSA-N 1 1 269.348 2.893 20 30 CFEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000429019419 393934040 /nfs/dbraw/zinc/93/40/40/393934040.db2.gz KVADDWGXOBYXNE-RKVPGOIHSA-N 1 1 283.419 2.720 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000348311006 393951430 /nfs/dbraw/zinc/95/14/30/393951430.db2.gz YJURRQXMBNFRLF-HOTGVXAUSA-N 1 1 286.419 2.783 20 30 CFEDMO C=CCOCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000348031613 393947248 /nfs/dbraw/zinc/94/72/48/393947248.db2.gz KBCPKCPABSUKSJ-WBVHZDCISA-N 1 1 278.440 2.528 20 30 CFEDMO C=CCOCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000348031613 393947249 /nfs/dbraw/zinc/94/72/49/393947249.db2.gz KBCPKCPABSUKSJ-WBVHZDCISA-N 1 1 278.440 2.528 20 30 CFEDMO C=CCOCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000348031613 393947256 /nfs/dbraw/zinc/94/72/56/393947256.db2.gz KBCPKCPABSUKSJ-WBVHZDCISA-N 1 1 278.440 2.528 20 30 CFEDMO C=CCOCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000348031613 393947258 /nfs/dbraw/zinc/94/72/58/393947258.db2.gz KBCPKCPABSUKSJ-WBVHZDCISA-N 1 1 278.440 2.528 20 30 CFEDMO C=CCOCCC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000348031613 393947263 /nfs/dbraw/zinc/94/72/63/393947263.db2.gz KBCPKCPABSUKSJ-WBVHZDCISA-N 1 1 278.440 2.528 20 30 CFEDMO C=CCOCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000348031613 393947264 /nfs/dbraw/zinc/94/72/64/393947264.db2.gz KBCPKCPABSUKSJ-WBVHZDCISA-N 1 1 278.440 2.528 20 30 CFEDMO C=CCOCCCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000348031613 393947269 /nfs/dbraw/zinc/94/72/69/393947269.db2.gz KBCPKCPABSUKSJ-WBVHZDCISA-N 1 1 278.440 2.528 20 30 CFEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000121112072 393948826 /nfs/dbraw/zinc/94/88/26/393948826.db2.gz DLIUHYBCGKKDHF-AWEZNQCLSA-N 1 1 254.418 2.918 20 30 CFEDMO C=CCCC[C@H](C)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000348249513 393950032 /nfs/dbraw/zinc/95/00/32/393950032.db2.gz XHFGWYZLPKMRSW-ZNMIVQPWSA-N 1 1 253.386 2.611 20 30 CFEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000121162971 393950142 /nfs/dbraw/zinc/95/01/42/393950142.db2.gz QXBUQBQOSUSCOE-ZDUSSCGKSA-N 1 1 276.380 2.920 20 30 CFEDMO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CC[N@@H+]1C ZINC000353253285 394027178 /nfs/dbraw/zinc/02/71/78/394027178.db2.gz LBSPLLAHXONSSE-VMGRFDJRSA-N 1 1 269.392 2.618 20 30 CFEDMO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CC[N@H+]1C ZINC000353253285 394027182 /nfs/dbraw/zinc/02/71/82/394027182.db2.gz LBSPLLAHXONSSE-VMGRFDJRSA-N 1 1 269.392 2.618 20 30 CFEDMO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000418135217 394017748 /nfs/dbraw/zinc/01/77/48/394017748.db2.gz QVRLVNFQVWAYEG-FRRDWIJNSA-N 1 1 268.364 2.682 20 30 CFEDMO Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(F)(C#N)CC2)o1 ZINC000348714224 393957355 /nfs/dbraw/zinc/95/73/55/393957355.db2.gz MURQLFUHFTVKLH-UHFFFAOYSA-N 1 1 288.326 2.806 20 30 CFEDMO CC(C)C[N@@H+](CCN(C)C)CC(C)(C)CCC#N ZINC000348903498 393960630 /nfs/dbraw/zinc/96/06/30/393960630.db2.gz HMRQRAGKLCFNKZ-UHFFFAOYSA-N 1 1 253.434 2.836 20 30 CFEDMO C=CCN(CC=C)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000348973937 393961437 /nfs/dbraw/zinc/96/14/37/393961437.db2.gz VGFBYNDCXVGLQF-UHFFFAOYSA-N 1 1 284.403 2.635 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@]1(C)CCCO ZINC000349184394 393964821 /nfs/dbraw/zinc/96/48/21/393964821.db2.gz IGFHRYGCCVYWFV-OAHLLOKOSA-N 1 1 252.402 2.943 20 30 CFEDMO CCc1noc(C)c1CO[NH+]=C(N)CCC(C)C ZINC000122933428 393974124 /nfs/dbraw/zinc/97/41/24/393974124.db2.gz RRNFWIMDZCZMCZ-UHFFFAOYSA-N 1 1 253.346 2.770 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CCNc2cc(C#N)c3ccccc3n2)C1 ZINC000486958472 393975045 /nfs/dbraw/zinc/97/50/45/393975045.db2.gz SZIITDAKDZHAOA-CQSZACIVSA-N 1 1 294.402 2.672 20 30 CFEDMO CC1=C[C@@H](C)C[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000430273743 393976895 /nfs/dbraw/zinc/97/68/95/393976895.db2.gz FOJYZRQBNWIUKJ-CYBMUJFWSA-N 1 1 256.349 2.835 20 30 CFEDMO CC[N@@H+](CCCC#N)[C@H](COC)Cc1ccccc1 ZINC000350509719 393978024 /nfs/dbraw/zinc/97/80/24/393978024.db2.gz GJZPGDFMZRZTAL-INIZCTEOSA-N 1 1 260.381 2.870 20 30 CFEDMO CC(C)[N@H+]1C[C@@H](C)[C@H](Nc2nc3c(cc2C#N)CCC3)C1 ZINC000268261329 393991216 /nfs/dbraw/zinc/99/12/16/393991216.db2.gz RLJGVSXOSFTGDI-MLGOLLRUSA-N 1 1 284.407 2.583 20 30 CFEDMO N#CCCCC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125070125 394001582 /nfs/dbraw/zinc/00/15/82/394001582.db2.gz SGYUOQXJZNXHSF-CYBMUJFWSA-N 1 1 250.367 2.815 20 30 CFEDMO N#CCCCC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125070125 394001584 /nfs/dbraw/zinc/00/15/84/394001584.db2.gz SGYUOQXJZNXHSF-CYBMUJFWSA-N 1 1 250.367 2.815 20 30 CFEDMO CC[N@@H+](CCC(=O)NC(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000125754541 394012202 /nfs/dbraw/zinc/01/22/02/394012202.db2.gz QSDIMFUWKJYRCR-AWEZNQCLSA-N 1 1 287.407 2.856 20 30 CFEDMO CSCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000126361305 394026863 /nfs/dbraw/zinc/02/68/63/394026863.db2.gz QBDVKJGBRRPSPX-LBPRGKRZSA-N 1 1 291.420 2.570 20 30 CFEDMO Cc1ccc(C[NH+]2CCN(c3ccccc3C#N)CC2)o1 ZINC000126923439 394039405 /nfs/dbraw/zinc/03/94/05/394039405.db2.gz XTNVWQMUYYIOAZ-UHFFFAOYSA-N 1 1 281.359 2.782 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@@H](CC)CN1C(C)=O ZINC000354117948 394042250 /nfs/dbraw/zinc/04/22/50/394042250.db2.gz UIXPNCGVLAOJGM-ZWKOTPCHSA-N 1 1 299.418 2.780 20 30 CFEDMO C=CC[C@H](CC)NC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000490301893 394043658 /nfs/dbraw/zinc/04/36/58/394043658.db2.gz RCDCVPWBWPNPPM-XUWVNRHRSA-N 1 1 293.455 2.713 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000491251895 394046817 /nfs/dbraw/zinc/04/68/17/394046817.db2.gz CWZNSQGLDGEZIW-SNVBAGLBSA-N 1 1 265.740 2.580 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491544890 394052693 /nfs/dbraw/zinc/05/26/93/394052693.db2.gz NZABOZFDQIYSDV-KBPBESRZSA-N 1 1 280.412 2.587 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276900772 394053088 /nfs/dbraw/zinc/05/30/88/394053088.db2.gz HSNODKMHVTZUDM-GFCCVEGCSA-N 1 1 279.343 2.778 20 30 CFEDMO C=CC[N@@H+](CC[C@@H]1CCOC1)Cc1cccc(C#N)c1 ZINC000437687003 394068589 /nfs/dbraw/zinc/06/85/89/394068589.db2.gz LTYCWEGAUKMNDJ-OAHLLOKOSA-N 1 1 270.376 2.973 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000492797315 394076745 /nfs/dbraw/zinc/07/67/45/394076745.db2.gz YEHGJCLKOMGGNK-CYBMUJFWSA-N 1 1 299.374 2.694 20 30 CFEDMO 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ZINC000662164043 414439994 /nfs/dbraw/zinc/43/99/94/414439994.db2.gz WKGSRZBPATZKTR-LLVKDONJSA-N 1 1 276.767 2.833 20 30 CFEDMO C=CCCCC[C@@H](C)[NH2+]Cc1nnn(C(C)(C)C)n1 ZINC000655811262 414453455 /nfs/dbraw/zinc/45/34/55/414453455.db2.gz GDEJIAJJVBKJKM-GFCCVEGCSA-N 1 1 265.405 2.653 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N[C@H](C)CCC ZINC000662080327 414399232 /nfs/dbraw/zinc/39/92/32/414399232.db2.gz OLQNLBUJGTYZCI-TUVASFSCSA-N 1 1 264.413 2.863 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nn(C)cc1Cl ZINC000662088423 414404306 /nfs/dbraw/zinc/40/43/06/414404306.db2.gz FFXZPVRVMWAHMO-PHIMTYICSA-N 1 1 251.761 2.757 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1nn(C)cc1Cl ZINC000662088423 414404313 /nfs/dbraw/zinc/40/43/13/414404313.db2.gz FFXZPVRVMWAHMO-PHIMTYICSA-N 1 1 251.761 2.757 20 30 CFEDMO C=CCOc1ccc(C[N@H+](C[C@@H](C)O)C2CC2)cc1 ZINC000656280990 414562776 /nfs/dbraw/zinc/56/27/76/414562776.db2.gz PHZWBMWTDMBALJ-CYBMUJFWSA-N 1 1 261.365 2.597 20 30 CFEDMO C=CCOc1ccc(C[N@H+](C[C@H](C)O)C2CC2)cc1 ZINC000656280992 414563352 /nfs/dbraw/zinc/56/33/52/414563352.db2.gz PHZWBMWTDMBALJ-ZDUSSCGKSA-N 1 1 261.365 2.597 20 30 CFEDMO C=CCn1cc(C[NH2+]Cc2cccc(C(C)C)c2)nn1 ZINC000663330037 414674638 /nfs/dbraw/zinc/67/46/38/414674638.db2.gz GGFRCFLUYNEWBV-UHFFFAOYSA-N 1 1 270.380 2.877 20 30 CFEDMO CC(C)[N@H+]1CC[C@H](CNCc2ccc(C#N)cc2F)C1 ZINC000045135228 175312872 /nfs/dbraw/zinc/31/28/72/175312872.db2.gz DAKDYLWVRARVJH-CQSZACIVSA-N 1 1 275.371 2.517 20 30 CFEDMO C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046526312 175397558 /nfs/dbraw/zinc/39/75/58/175397558.db2.gz CSQVCWDQSYZSHM-WMLDXEAASA-N 1 1 299.418 2.685 20 30 CFEDMO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046526312 175397559 /nfs/dbraw/zinc/39/75/59/175397559.db2.gz CSQVCWDQSYZSHM-WMLDXEAASA-N 1 1 299.418 2.685 20 30 CFEDMO CC(C)N(C(=O)C[N@H+](C)Cc1cccc(C#N)c1)C(C)C ZINC000046517858 175397723 /nfs/dbraw/zinc/39/77/23/175397723.db2.gz UJWMCWMKKJFUHC-UHFFFAOYSA-N 1 1 287.407 2.635 20 30 CFEDMO CC(C)N(C(=O)C[N@@H+](C)Cc1cccc(C#N)c1)C(C)C ZINC000046517858 175397725 /nfs/dbraw/zinc/39/77/25/175397725.db2.gz UJWMCWMKKJFUHC-UHFFFAOYSA-N 1 1 287.407 2.635 20 30 CFEDMO C[N@@H+](CCNc1ccc(C#N)cc1[N+](=O)[O-])C1CCCC1 ZINC000071377609 176142961 /nfs/dbraw/zinc/14/29/61/176142961.db2.gz QDYZCYOVDHCSBD-UHFFFAOYSA-N 1 1 288.351 2.753 20 30 CFEDMO C=CCCC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000076395560 177015414 /nfs/dbraw/zinc/01/54/14/177015414.db2.gz TZXUJYOFTFBHRH-CQSZACIVSA-N 1 1 270.380 2.875 20 30 CFEDMO C=CCCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000076737471 177077011 /nfs/dbraw/zinc/07/70/11/177077011.db2.gz HROGZGZFVSMPJH-UHFFFAOYSA-N 1 1 291.351 2.821 20 30 CFEDMO COCC[N@H+](CCC(C)(C)C#N)Cc1scnc1C ZINC000347137568 226041551 /nfs/dbraw/zinc/04/15/51/226041551.db2.gz WUHWZKFGPMQMSY-UHFFFAOYSA-N 1 1 281.425 2.840 20 30 CFEDMO COCC[N@@H+](CCC(C)(C)C#N)Cc1scnc1C ZINC000347137568 226041555 /nfs/dbraw/zinc/04/15/55/226041555.db2.gz WUHWZKFGPMQMSY-UHFFFAOYSA-N 1 1 281.425 2.840 20 30 CFEDMO COC[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccco1 ZINC000347626843 226203479 /nfs/dbraw/zinc/20/34/79/226203479.db2.gz XJNVMPXIKBZZOQ-HNNXBMFYSA-N 1 1 270.332 2.823 20 30 CFEDMO C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000352817092 227254489 /nfs/dbraw/zinc/25/44/89/227254489.db2.gz QNAWUISNWBGMMY-YJBOKZPZSA-N 1 1 283.419 2.811 20 30 CFEDMO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000352817092 227254491 /nfs/dbraw/zinc/25/44/91/227254491.db2.gz QNAWUISNWBGMMY-YJBOKZPZSA-N 1 1 283.419 2.811 20 30 CFEDMO N#CCc1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000334155270 227337120 /nfs/dbraw/zinc/33/71/20/227337120.db2.gz UVZCZDSDECVMFL-UHFFFAOYSA-N 1 1 256.349 2.508 20 30 CFEDMO O=C(Cn1cc2ccccc2n1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000330035109 228023612 /nfs/dbraw/zinc/02/36/12/228023612.db2.gz BNHXFKISJIDMOP-CVEARBPZSA-N 1 1 298.390 2.620 20 30 CFEDMO NC(=O)C1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000330308873 228123145 /nfs/dbraw/zinc/12/31/45/228123145.db2.gz MOBWNQWAWUJTFR-GCZXYKMCSA-N 1 1 279.384 2.664 20 30 CFEDMO Cn1c(N[C@H]2CC[C@@H](CC#N)C2)[nH+]c2cccc(F)c21 ZINC000336189126 228208824 /nfs/dbraw/zinc/20/88/24/228208824.db2.gz DGKUBFDPOIJQIU-QWRGUYRKSA-N 1 1 272.327 2.629 20 30 CFEDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)[nH]1 ZINC000332390506 228157695 /nfs/dbraw/zinc/15/76/95/228157695.db2.gz ZGXHRIRFNHJPDE-INIZCTEOSA-N 1 1 295.390 2.559 20 30 CFEDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(CC#N)cc3)C2)n1 ZINC000332390506 228157696 /nfs/dbraw/zinc/15/76/96/228157696.db2.gz ZGXHRIRFNHJPDE-INIZCTEOSA-N 1 1 295.390 2.559 20 30 CFEDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)n1 ZINC000332390506 228157698 /nfs/dbraw/zinc/15/76/98/228157698.db2.gz ZGXHRIRFNHJPDE-INIZCTEOSA-N 1 1 295.390 2.559 20 30 CFEDMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(CC#N)cc3)C2)n[nH]1 ZINC000332390506 228157700 /nfs/dbraw/zinc/15/77/00/228157700.db2.gz ZGXHRIRFNHJPDE-INIZCTEOSA-N 1 1 295.390 2.559 20 30 CFEDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(CC#N)cc3)C2)n[nH]1 ZINC000332390506 228157702 /nfs/dbraw/zinc/15/77/02/228157702.db2.gz ZGXHRIRFNHJPDE-INIZCTEOSA-N 1 1 295.390 2.559 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)C(=O)NCCC1=CCCCC1 ZINC000332552090 228163464 /nfs/dbraw/zinc/16/34/64/228163464.db2.gz HKOUCGPJIQHOHS-NUEKZKHPSA-N 1 1 289.423 2.663 20 30 CFEDMO N#C[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CCCCC1 ZINC000826668700 782026117 /nfs/dbraw/zinc/02/61/17/782026117.db2.gz SZXQFOQVEZOBLY-PMPSAXMXSA-N 1 1 289.423 2.592 20 30 CFEDMO CC[C@H](C(=O)NCCCCC#N)[N@@H+](C)Cc1ccccc1 ZINC000354268170 260052494 /nfs/dbraw/zinc/05/24/94/260052494.db2.gz LCVWOXRZBSFGPP-MRXNPFEDSA-N 1 1 287.407 2.707 20 30 CFEDMO C[C@@H](NCC(C)(C)[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000037220285 260075390 /nfs/dbraw/zinc/07/53/90/260075390.db2.gz BVBXTEADYAMQFN-CYBMUJFWSA-N 1 1 275.396 2.580 20 30 CFEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000117877454 260117404 /nfs/dbraw/zinc/11/74/04/260117404.db2.gz DKLKPFSHRGQTSW-HNNXBMFYSA-N 1 1 291.370 2.988 20 30 CFEDMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C[C@H](C#N)CCC#N)C1 ZINC000363357711 260129082 /nfs/dbraw/zinc/12/90/82/260129082.db2.gz VJPHBKCOVMTKKJ-ZWKOTPCHSA-N 1 1 296.418 2.636 20 30 CFEDMO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000407990385 260153046 /nfs/dbraw/zinc/15/30/46/260153046.db2.gz MMDKNXQLCHGXRZ-SMDDNHRTSA-N 1 1 271.320 2.645 20 30 CFEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1 ZINC000407990385 260153047 /nfs/dbraw/zinc/15/30/47/260153047.db2.gz MMDKNXQLCHGXRZ-SMDDNHRTSA-N 1 1 271.320 2.645 20 30 CFEDMO C=CC[N@H+](CCOCC(F)F)Cc1ccccc1 ZINC000188618811 260163248 /nfs/dbraw/zinc/16/32/48/260163248.db2.gz RXJOYMVHDDEYOV-UHFFFAOYSA-N 1 1 255.308 2.956 20 30 CFEDMO CC(C)C[C@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000517373196 260168974 /nfs/dbraw/zinc/16/89/74/260168974.db2.gz IYPFNXCALWNSQN-OAHLLOKOSA-N 1 1 283.379 2.611 20 30 CFEDMO C[C@@H](c1ccccn1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000517478513 260188463 /nfs/dbraw/zinc/18/84/63/260188463.db2.gz AOXDJAHITVIPMA-LBPRGKRZSA-N 1 1 252.321 2.541 20 30 CFEDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000517478513 260188464 /nfs/dbraw/zinc/18/84/64/260188464.db2.gz AOXDJAHITVIPMA-LBPRGKRZSA-N 1 1 252.321 2.541 20 30 CFEDMO CCCCC(N)=[NH+]OCC(=O)Nc1ccccc1OCC ZINC000063460199 260239761 /nfs/dbraw/zinc/23/97/61/260239761.db2.gz DFEOXSOZMWOHLU-UHFFFAOYSA-N 1 1 293.367 2.503 20 30 CFEDMO Cn1cccc1[C@H]1CCC[N@H+]1CCCSCC#N ZINC000072513411 260276581 /nfs/dbraw/zinc/27/65/81/260276581.db2.gz QAARGSYOTHLMBT-CQSZACIVSA-N 1 1 263.410 2.809 20 30 CFEDMO COc1ccc(C[N@H+](C)C[C@@H](C#N)CCC#N)cc1 ZINC000072589811 260276769 /nfs/dbraw/zinc/27/67/69/260276769.db2.gz IKVQDQDUCPTLHD-CQSZACIVSA-N 1 1 257.337 2.571 20 30 CFEDMO COc1ccc(C[N@@H+](C)C[C@@H](C#N)CCC#N)cc1 ZINC000072589811 260276770 /nfs/dbraw/zinc/27/67/70/260276770.db2.gz IKVQDQDUCPTLHD-CQSZACIVSA-N 1 1 257.337 2.571 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000363472681 260324292 /nfs/dbraw/zinc/32/42/92/260324292.db2.gz SNZUZKQLBREGDY-AWEZNQCLSA-N 1 1 250.386 2.675 20 30 CFEDMO COc1ccc(C2([NH2+]Cc3ccc(C#N)cn3)CC2)cc1 ZINC000518393491 260397402 /nfs/dbraw/zinc/39/74/02/260397402.db2.gz FOFGWEBADRTNRN-UHFFFAOYSA-N 1 1 279.343 2.741 20 30 CFEDMO C[C@H]1C[NH+](CCCCC(C)(C)C#N)C[C@H](C)S1=O ZINC000444695044 261100504 /nfs/dbraw/zinc/10/05/04/261100504.db2.gz RIFMFMVTEWEVIN-STQMWFEESA-N 1 1 270.442 2.548 20 30 CFEDMO CC1(C)C[N@@H+](Cc2cccc(OCCCC#N)c2)C[C@H]1O ZINC000448366133 261129795 /nfs/dbraw/zinc/12/97/95/261129795.db2.gz KTLVFAYINIXVEL-MRXNPFEDSA-N 1 1 288.391 2.572 20 30 CFEDMO CCc1cnccc1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000361132569 261164586 /nfs/dbraw/zinc/16/45/86/261164586.db2.gz QMLWWJWSNSRMMO-STQMWFEESA-N 1 1 256.353 2.738 20 30 CFEDMO C#CC[N@H+](CCCCCS(=O)(=O)CC)C1CCCCC1 ZINC000490740373 261197747 /nfs/dbraw/zinc/19/77/47/261197747.db2.gz KOVBLPIIWWDLGP-UHFFFAOYSA-N 1 1 299.480 2.859 20 30 CFEDMO CN(CCCC#N)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174951907 261201907 /nfs/dbraw/zinc/20/19/07/261201907.db2.gz FCCBDDMVGDWJDY-KRWDZBQOSA-N 1 1 271.408 2.887 20 30 CFEDMO C[N@H+](CCCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174951907 261201909 /nfs/dbraw/zinc/20/19/09/261201909.db2.gz FCCBDDMVGDWJDY-KRWDZBQOSA-N 1 1 271.408 2.887 20 30 CFEDMO C[N@@H+](CCCC#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174951907 261201910 /nfs/dbraw/zinc/20/19/10/261201910.db2.gz FCCBDDMVGDWJDY-KRWDZBQOSA-N 1 1 271.408 2.887 20 30 CFEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000361382418 261230806 /nfs/dbraw/zinc/23/08/06/261230806.db2.gz VMNFSABJYCMASI-GVDBMIGSSA-N 1 1 281.440 2.985 20 30 CFEDMO CCOC1CC2(C1)CC[N@@H+](CCCSCC#N)C2 ZINC000367598150 261252126 /nfs/dbraw/zinc/25/21/26/261252126.db2.gz PMQPRUMRWGDMIH-UHFFFAOYSA-N 1 1 268.426 2.524 20 30 CFEDMO CSc1ccccc1NC(=O)CC[N@H+](C)[C@H](C)CC#N ZINC000161755350 261259519 /nfs/dbraw/zinc/25/95/19/261259519.db2.gz QMLDWCYFAVOMAD-GFCCVEGCSA-N 1 1 291.420 2.971 20 30 CFEDMO CSc1ccccc1NC(=O)CC[N@@H+](C)[C@H](C)CC#N ZINC000161755350 261259521 /nfs/dbraw/zinc/25/95/21/261259521.db2.gz QMLDWCYFAVOMAD-GFCCVEGCSA-N 1 1 291.420 2.971 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000103266244 261278655 /nfs/dbraw/zinc/27/86/55/261278655.db2.gz ZNJWHEUCOHECML-OAGGEKHMSA-N 1 1 291.439 2.649 20 30 CFEDMO C#CCNC(=O)CC[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000491201054 261367979 /nfs/dbraw/zinc/36/79/79/261367979.db2.gz FFJMVVGMMCUPPC-ZDUSSCGKSA-N 1 1 284.359 2.565 20 30 CFEDMO C[C@@H](N1CC[NH+](CCCC(C)(C)C#N)CC1)C(F)(F)F ZINC000178242764 261381996 /nfs/dbraw/zinc/38/19/96/261381996.db2.gz DLGNGDLGJGWANP-GFCCVEGCSA-N 1 1 291.361 2.885 20 30 CFEDMO CC(C)c1cccc(NC(=[NH2+])NCCN2CCCC2)c1 ZINC000170907838 261447591 /nfs/dbraw/zinc/44/75/91/261447591.db2.gz CXUDBAVIZIMQFS-UHFFFAOYSA-N 1 1 274.412 2.632 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H]1CCO[C@H](C)C1 ZINC000491485622 261636703 /nfs/dbraw/zinc/63/67/03/261636703.db2.gz PRAJKUYEQPETHJ-WBVHZDCISA-N 1 1 257.377 2.937 20 30 CFEDMO C[C@H](NC1(CNC(=[NH2+])N(C)C)CCCC1)c1ccccc1 ZINC000178572895 261751246 /nfs/dbraw/zinc/75/12/46/261751246.db2.gz AHZLJFNEXNIDSN-AWEZNQCLSA-N 1 1 288.439 2.526 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000184081452 262007227 /nfs/dbraw/zinc/00/72/27/262007227.db2.gz XZSGUWZNKWQNOL-CQSZACIVSA-N 1 1 284.363 2.867 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000184087638 262008190 /nfs/dbraw/zinc/00/81/90/262008190.db2.gz TZUFLBMNTQUDGS-CQSZACIVSA-N 1 1 272.327 2.998 20 30 CFEDMO C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000309978735 262065732 /nfs/dbraw/zinc/06/57/32/262065732.db2.gz TUOKKYJLLZLQDR-RDJZCZTQSA-N 1 1 299.418 2.565 20 30 CFEDMO C=CCCCC[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000497243489 262123104 /nfs/dbraw/zinc/12/31/04/262123104.db2.gz FYMIJSIFBJXIQP-ZDUSSCGKSA-N 1 1 254.374 2.505 20 30 CFEDMO CCCNC(=O)OC[C@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000497259935 262126891 /nfs/dbraw/zinc/12/68/91/262126891.db2.gz ANPSWUVSLBZMIL-CQSZACIVSA-N 1 1 293.411 2.671 20 30 CFEDMO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CC1(C#N)CCC1 ZINC000497259935 262126893 /nfs/dbraw/zinc/12/68/93/262126893.db2.gz ANPSWUVSLBZMIL-CQSZACIVSA-N 1 1 293.411 2.671 20 30 CFEDMO CCCCCCCN1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000364270772 262193156 /nfs/dbraw/zinc/19/31/56/262193156.db2.gz SPZFVMHDUUZXBW-UHFFFAOYSA-N 1 1 270.461 2.735 20 30 CFEDMO CCCCCCC[N@@H+]1CCCN(CC(C)(C)O)CC1 ZINC000364270772 262193157 /nfs/dbraw/zinc/19/31/57/262193157.db2.gz SPZFVMHDUUZXBW-UHFFFAOYSA-N 1 1 270.461 2.735 20 30 CFEDMO CCCCCCC[N@H+]1CCCN(CC(C)(C)O)CC1 ZINC000364270772 262193158 /nfs/dbraw/zinc/19/31/58/262193158.db2.gz SPZFVMHDUUZXBW-UHFFFAOYSA-N 1 1 270.461 2.735 20 30 CFEDMO C=CCCCC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000364377765 262221873 /nfs/dbraw/zinc/22/18/73/262221873.db2.gz UEHQWRCHTWPSDR-UHFFFAOYSA-N 1 1 287.407 2.831 20 30 CFEDMO O=C1CCCN1C[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000364471856 262247957 /nfs/dbraw/zinc/24/79/57/262247957.db2.gz IPHVWRCHOSNKNJ-SFHVURJKSA-N 1 1 296.414 2.515 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1CN1CCCCCC1 ZINC000364629454 262255365 /nfs/dbraw/zinc/25/53/65/262255365.db2.gz KVWAYCLEHFXOIE-IAGOWNOFSA-N 1 1 280.456 2.654 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1CN1CCCCCC1 ZINC000364629454 262255367 /nfs/dbraw/zinc/25/53/67/262255367.db2.gz KVWAYCLEHFXOIE-IAGOWNOFSA-N 1 1 280.456 2.654 20 30 CFEDMO CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)N(CC)CCC#N)C1CC1 ZINC000111226853 262258327 /nfs/dbraw/zinc/25/83/27/262258327.db2.gz YGNPAWDWKAOKEB-KGLIPLIRSA-N 1 1 279.428 2.648 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCCC2(CCCCC2)C1 ZINC000111323938 262259741 /nfs/dbraw/zinc/25/97/41/262259741.db2.gz OMVZMGUZSMDWQZ-CQSZACIVSA-N 1 1 264.413 2.723 20 30 CFEDMO Cc1ccccc1[C@@H]1C(=O)NCC[N@H+]1CCCC(C)(C)C#N ZINC000364922815 262264874 /nfs/dbraw/zinc/26/48/74/262264874.db2.gz YFXYOBWNDJIWOW-MRXNPFEDSA-N 1 1 299.418 2.798 20 30 CFEDMO Cc1ccccc1[C@@H]1C(=O)NCC[N@@H+]1CCCC(C)(C)C#N ZINC000364922815 262264876 /nfs/dbraw/zinc/26/48/76/262264876.db2.gz YFXYOBWNDJIWOW-MRXNPFEDSA-N 1 1 299.418 2.798 20 30 CFEDMO O[C@@H]1C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC12CC2 ZINC000372290244 262265746 /nfs/dbraw/zinc/26/57/46/262265746.db2.gz WJNLDNYJQQIQJM-CQSZACIVSA-N 1 1 295.304 2.514 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000160370088 262268347 /nfs/dbraw/zinc/26/83/47/262268347.db2.gz WKBJAWMENWDXTI-ZBFHGGJFSA-N 1 1 260.381 2.854 20 30 CFEDMO C=CC[N@H+](CCC[C@@H](C)O)Cc1cccc([N+](=O)[O-])c1 ZINC000354858559 262314381 /nfs/dbraw/zinc/31/43/81/262314381.db2.gz CLDNWIQVLKCGHF-CYBMUJFWSA-N 1 1 278.352 2.744 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000495875643 262319286 /nfs/dbraw/zinc/31/92/86/262319286.db2.gz OOXDRVPSEPRBMK-QWHCGFSZSA-N 1 1 281.400 2.620 20 30 CFEDMO C=CCC1(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2CC)CCC1 ZINC000365214160 262351826 /nfs/dbraw/zinc/35/18/26/262351826.db2.gz JTVMETXXCWXVGS-GJZGRUSLSA-N 1 1 276.424 2.818 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000365252476 262355363 /nfs/dbraw/zinc/35/53/63/262355363.db2.gz BPJRSQOGNKDMPP-IAGOWNOFSA-N 1 1 255.361 2.682 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1cnn(C)c1C(F)(F)F ZINC000336703642 262381659 /nfs/dbraw/zinc/38/16/59/262381659.db2.gz HBNSDKDAYGPYNZ-UHFFFAOYSA-N 1 1 261.291 2.837 20 30 CFEDMO CC(C)[C@H]1CN(C)CC[N@H+]1CCCC(C)(C)C#N ZINC000336733064 262386116 /nfs/dbraw/zinc/38/61/16/262386116.db2.gz SUVYQKBNGVSICP-CQSZACIVSA-N 1 1 251.418 2.588 20 30 CFEDMO C[NH+](C)C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000336784399 262394583 /nfs/dbraw/zinc/39/45/83/262394583.db2.gz QFWSXJJXNWPIOU-AWEZNQCLSA-N 1 1 251.418 2.590 20 30 CFEDMO CN(C)C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000336784399 262394584 /nfs/dbraw/zinc/39/45/84/262394584.db2.gz QFWSXJJXNWPIOU-AWEZNQCLSA-N 1 1 251.418 2.590 20 30 CFEDMO CN(C)C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000336784399 262394585 /nfs/dbraw/zinc/39/45/85/262394585.db2.gz QFWSXJJXNWPIOU-AWEZNQCLSA-N 1 1 251.418 2.590 20 30 CFEDMO N#CC1(CCC[N@H+]2CCC[C@@H]3COCC[C@H]32)CCOCC1 ZINC000337197368 262431841 /nfs/dbraw/zinc/43/18/41/262431841.db2.gz XAJGXPSIZMKILX-HZPDHXFCSA-N 1 1 292.423 2.588 20 30 CFEDMO CC[C@H](C)[N@@H+](CCCCC(C)(C)C#N)CC(=O)OC ZINC000337247368 262440420 /nfs/dbraw/zinc/44/04/20/262440420.db2.gz OXSNMWDVSLOPKJ-ZDUSSCGKSA-N 1 1 268.401 2.980 20 30 CFEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCOCCC#N)C12CCCCC2 ZINC000339005187 262579439 /nfs/dbraw/zinc/57/94/39/262579439.db2.gz HPOJSSCGXSPZEB-CVEARBPZSA-N 1 1 294.439 2.976 20 30 CFEDMO N#CC1(CC[N@@H+]2CC[C@](O)(C(F)(F)F)C2)CCCCC1 ZINC000411313170 262688808 /nfs/dbraw/zinc/68/88/08/262688808.db2.gz XDEAGRIJXUUYCX-CYBMUJFWSA-N 1 1 290.329 2.850 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)Cc1nccn1-c1ccccc1 ZINC000411643603 262702946 /nfs/dbraw/zinc/70/29/46/262702946.db2.gz INPDCOJHINIKIP-UHFFFAOYSA-N 1 1 298.434 2.812 20 30 CFEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000265233856 262905326 /nfs/dbraw/zinc/90/53/26/262905326.db2.gz PZJZARDQPOCXRS-IAGOWNOFSA-N 1 1 288.391 2.714 20 30 CFEDMO N#CCSCCC[N@H+](CCCO)Cc1ccccc1 ZINC000268972324 262962034 /nfs/dbraw/zinc/96/20/34/262962034.db2.gz MCRYLZIITDXLGA-UHFFFAOYSA-N 1 1 278.421 2.518 20 30 CFEDMO C=C(C)CC[N@H+](CC)CC(=O)N1CCCCCC1 ZINC000353165877 262966264 /nfs/dbraw/zinc/96/62/64/262966264.db2.gz JJVOASVHGSWJLD-UHFFFAOYSA-N 1 1 252.402 2.677 20 30 CFEDMO CC1(C#N)CC[NH+](C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000272487047 263005211 /nfs/dbraw/zinc/00/52/11/263005211.db2.gz BUNQWOWSOSLGNO-CQSZACIVSA-N 1 1 280.318 2.624 20 30 CFEDMO Cc1ccc(C[N@@H+](CCO)CCC(C)(C)C#N)cc1 ZINC000273036466 263011432 /nfs/dbraw/zinc/01/14/32/263011432.db2.gz ZSANMFDDCHPUDW-UHFFFAOYSA-N 1 1 260.381 2.729 20 30 CFEDMO C[C@H](NC(=O)Nc1ccc(CC#N)cc1)C1=CC[N@@H+](C)CC1 ZINC000273056412 263011866 /nfs/dbraw/zinc/01/18/66/263011866.db2.gz YAIUWLXKHXABFE-ZDUSSCGKSA-N 1 1 298.390 2.525 20 30 CFEDMO Cc1c([C@H](C)[NH2+]CCCC#N)nnn1-c1ccc(F)cc1 ZINC000273281657 263014652 /nfs/dbraw/zinc/01/46/52/263014652.db2.gz QMYDHKKUUKOALK-NSHDSACASA-N 1 1 287.342 2.669 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000273850536 263019965 /nfs/dbraw/zinc/01/99/65/263019965.db2.gz JSHUJZZFWQIEIL-LLVKDONJSA-N 1 1 262.744 2.770 20 30 CFEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(OCC#N)cc2)C1 ZINC000275127765 263032773 /nfs/dbraw/zinc/03/27/73/263032773.db2.gz KDXAOZGUCOXFMC-RHSMWYFYSA-N 1 1 288.391 2.572 20 30 CFEDMO C[C@@H](CCC#N)[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000276334306 263036430 /nfs/dbraw/zinc/03/64/30/263036430.db2.gz RMNWVZDZMAZBFU-SWLSCSKDSA-N 1 1 289.354 2.555 20 30 CFEDMO C[C@@H](CCC#N)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000276334306 263036431 /nfs/dbraw/zinc/03/64/31/263036431.db2.gz RMNWVZDZMAZBFU-SWLSCSKDSA-N 1 1 289.354 2.555 20 30 CFEDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(CC#N)cc2)C1 ZINC000452112687 263037542 /nfs/dbraw/zinc/03/75/42/263037542.db2.gz GSOXUSYSOFYNKE-QGZVFWFLSA-N 1 1 271.408 2.667 20 30 CFEDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000277688889 263042849 /nfs/dbraw/zinc/04/28/49/263042849.db2.gz GXPPJTZNZIRFMC-KRWDZBQOSA-N 1 1 288.391 2.716 20 30 CFEDMO Cc1ccccc1CN1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000278704199 263049943 /nfs/dbraw/zinc/04/99/43/263049943.db2.gz TWRYIELIMIWISD-INIZCTEOSA-N 1 1 271.408 2.805 20 30 CFEDMO Cc1ccccc1CN1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000278773737 263051010 /nfs/dbraw/zinc/05/10/10/263051010.db2.gz YYHSVINTPUCRNK-FUHWJXTLSA-N 1 1 283.419 2.805 20 30 CFEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000279762332 263057134 /nfs/dbraw/zinc/05/71/34/263057134.db2.gz MHOSMURVTJDAIL-GDBMZVCRSA-N 1 1 288.391 2.714 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1ccnn1-c1ccccc1 ZINC000279828600 263057774 /nfs/dbraw/zinc/05/77/74/263057774.db2.gz NANKBABLARMTRJ-ZDUSSCGKSA-N 1 1 254.337 2.654 20 30 CFEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC000280514849 263062414 /nfs/dbraw/zinc/06/24/14/263062414.db2.gz NUNDFMHDCABTPC-KRWDZBQOSA-N 1 1 288.391 2.980 20 30 CFEDMO N#CCCC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282144680 263074727 /nfs/dbraw/zinc/07/47/27/263074727.db2.gz SDMDTDHIRBMAKG-CQSZACIVSA-N 1 1 272.396 2.703 20 30 CFEDMO C=C[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000340168886 263082551 /nfs/dbraw/zinc/08/25/51/263082551.db2.gz UUVNHWYYLWRZBN-LSDHHAIUSA-N 1 1 272.392 2.509 20 30 CFEDMO C=C[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000340168886 263082552 /nfs/dbraw/zinc/08/25/52/263082552.db2.gz UUVNHWYYLWRZBN-LSDHHAIUSA-N 1 1 272.392 2.509 20 30 CFEDMO CN(CCC[N@@H+](C)CCCSCC#N)Cc1ccco1 ZINC000285474470 263093228 /nfs/dbraw/zinc/09/32/28/263093228.db2.gz BBXMQOPYMAZSAT-UHFFFAOYSA-N 1 1 295.452 2.680 20 30 CFEDMO CN(CCC[N@@H+](C)CCCCC#N)Cc1ccco1 ZINC000285604417 263094596 /nfs/dbraw/zinc/09/45/96/263094596.db2.gz JYFCDKOLXCLIAZ-UHFFFAOYSA-N 1 1 263.385 2.727 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC#N)cc2)C[C@@H]1C ZINC000340223614 263097641 /nfs/dbraw/zinc/09/76/41/263097641.db2.gz RENGBRYWSVVQCY-WMLDXEAASA-N 1 1 299.418 2.697 20 30 CFEDMO C=CCOc1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000353500976 263101800 /nfs/dbraw/zinc/10/18/00/263101800.db2.gz HBGIMCGWEKPTAL-MRXNPFEDSA-N 1 1 272.392 2.531 20 30 CFEDMO N#CCSCCC[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288567221 263104839 /nfs/dbraw/zinc/10/48/39/263104839.db2.gz AYSWHZJKIBSXQQ-UHFFFAOYSA-N 1 1 290.388 2.507 20 30 CFEDMO COCCOCC[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000289143045 263107757 /nfs/dbraw/zinc/10/77/57/263107757.db2.gz YUVANQKHHRPRNF-UHFFFAOYSA-N 1 1 290.407 2.583 20 30 CFEDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(CC#N)cc1 ZINC000289569290 263110841 /nfs/dbraw/zinc/11/08/41/263110841.db2.gz RSJGXTWQVCNEIA-CYBMUJFWSA-N 1 1 288.395 2.603 20 30 CFEDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000290929990 263119238 /nfs/dbraw/zinc/11/92/38/263119238.db2.gz MDRZQVGGTUKBFB-CQSZACIVSA-N 1 1 299.418 2.700 20 30 CFEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CCCC#N ZINC000291094047 263120066 /nfs/dbraw/zinc/12/00/66/263120066.db2.gz IELFBNFROLRTSD-WBVHZDCISA-N 1 1 297.402 2.823 20 30 CFEDMO Cc1[nH+]cn(-c2ccc(NC(=O)C(C)(C)C#N)cc2)c1C ZINC000291185415 263120758 /nfs/dbraw/zinc/12/07/58/263120758.db2.gz LJVFQKBCPRPPMT-UHFFFAOYSA-N 1 1 282.347 2.977 20 30 CFEDMO N#CCCCC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291389273 263122067 /nfs/dbraw/zinc/12/20/67/263122067.db2.gz BGQZVGFURPATKP-GOSISDBHSA-N 1 1 286.419 2.997 20 30 CFEDMO N#CCCC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291785841 263125490 /nfs/dbraw/zinc/12/54/90/263125490.db2.gz MMCOBJIFJRBQRI-KRWDZBQOSA-N 1 1 272.392 2.607 20 30 CFEDMO COC(=O)c1ccc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc1 ZINC000292693549 263133870 /nfs/dbraw/zinc/13/38/70/263133870.db2.gz CSNOOVTYCWVIPT-ZFWWWQNUSA-N 1 1 272.348 2.597 20 30 CFEDMO COC(=O)c1ccc2c(c1)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000292716208 263134300 /nfs/dbraw/zinc/13/43/00/263134300.db2.gz AFFVXCGFLVSVSS-WBMJQRKESA-N 1 1 284.359 2.524 20 30 CFEDMO C[N@@H+](CCOCc1ccccc1)[C@@H]1CC[C@H](C#N)C1 ZINC000292906130 263136305 /nfs/dbraw/zinc/13/63/05/263136305.db2.gz WMANKBUGJBSDJF-JKSUJKDBSA-N 1 1 258.365 2.827 20 30 CFEDMO N#CCCOCC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000292912792 263136377 /nfs/dbraw/zinc/13/63/77/263136377.db2.gz BELXOKSWOADQSQ-HNNXBMFYSA-N 1 1 294.782 2.723 20 30 CFEDMO C[N@@H+](CCOCc1ccccc1)[C@H]1CC[C@@H](C#N)C1 ZINC000292906125 263136410 /nfs/dbraw/zinc/13/64/10/263136410.db2.gz WMANKBUGJBSDJF-CVEARBPZSA-N 1 1 258.365 2.827 20 30 CFEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000293101143 263137858 /nfs/dbraw/zinc/13/78/58/263137858.db2.gz NVJCALIHFFYURT-RDJZCZTQSA-N 1 1 299.418 2.903 20 30 CFEDMO CC[N@@H+](CCOCCC#N)[C@@H](C)Cc1ccc(OC)cc1 ZINC000293232279 263138990 /nfs/dbraw/zinc/13/89/90/263138990.db2.gz WAIWCZADSVRQJO-HNNXBMFYSA-N 1 1 290.407 2.878 20 30 CFEDMO N#C[C@@H]1CC[C@H]([NH+]2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000293251114 263139026 /nfs/dbraw/zinc/13/90/26/263139026.db2.gz 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CCC[C@@](C)([NH2+]CCCC(C)(C)C#N)C(=O)OC ZINC000174856493 333008997 /nfs/dbraw/zinc/00/89/97/333008997.db2.gz KXUQRQSNSSNFJB-CQSZACIVSA-N 1 1 254.374 2.638 20 30 CFEDMO CC#CCC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309807469 333049842 /nfs/dbraw/zinc/04/98/42/333049842.db2.gz VBXGISKJXURSJL-AEFFLSMTSA-N 1 1 270.420 2.900 20 30 CFEDMO C=CCCCCC[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000516765635 333082203 /nfs/dbraw/zinc/08/22/03/333082203.db2.gz DEFVZNHQYLTEFW-CQSZACIVSA-N 1 1 255.427 2.941 20 30 CFEDMO C=C(C)CN(C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000183350309 333120602 /nfs/dbraw/zinc/12/06/02/333120602.db2.gz WNMBMINICKJCTI-OAHLLOKOSA-N 1 1 281.444 2.572 20 30 CFEDMO C=CCNC(=O)C[N@H+](CC)C[C@@H](CC)c1ccccc1 ZINC000186623169 333163843 /nfs/dbraw/zinc/16/38/43/333163843.db2.gz VABJTDGUKCYPFC-OAHLLOKOSA-N 1 1 274.408 2.804 20 30 CFEDMO C=CCCCCC[N@@H+]1CCSC[C@H]1CC(=O)OC ZINC000193397810 333249328 /nfs/dbraw/zinc/24/93/28/333249328.db2.gz XBSPZDZEOZFUJQ-CYBMUJFWSA-N 1 1 271.426 2.713 20 30 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ZSVGGKFHOMFQHA-BJWYYQGGSA-N 1 1 290.451 2.923 20 30 CFEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CCCC[C@@H]2C)CC1 ZINC000981844937 613310620 /nfs/dbraw/zinc/31/06/20/613310620.db2.gz HURJNTCFGDMZHY-HOTGVXAUSA-N 1 1 278.440 2.923 20 30 CFEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2cccc(F)c2F)CC1 ZINC000981842224 613312386 /nfs/dbraw/zinc/31/23/86/613312386.db2.gz ZVFURBPKLNHIGR-UHFFFAOYSA-N 1 1 294.345 2.689 20 30 CFEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2ccoc2Cl)CC1 ZINC000981042950 613312653 /nfs/dbraw/zinc/31/26/53/613312653.db2.gz YQXMIPBQOGSTAB-UHFFFAOYSA-N 1 1 282.771 2.657 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CC)C1 ZINC000963187311 613314626 /nfs/dbraw/zinc/31/46/26/613314626.db2.gz IZSLDMZWMFGIMH-LSDHHAIUSA-N 1 1 264.413 2.676 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cccnc2)CC1 ZINC000948129516 613315021 /nfs/dbraw/zinc/31/50/21/613315021.db2.gz XZXWGBKDJBNFIF-INIZCTEOSA-N 1 1 287.407 2.584 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@H]1[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000963237911 613315284 /nfs/dbraw/zinc/31/52/84/613315284.db2.gz VCDBCTXHBUNJCJ-HOTGVXAUSA-N 1 1 276.424 2.676 20 30 CFEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@@H]2CCCC2(F)F)CC1 ZINC000949852735 613316200 /nfs/dbraw/zinc/31/62/00/613316200.db2.gz YXZVQTDYMOYMCW-ZDUSSCGKSA-N 1 1 286.366 2.532 20 30 CFEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@H]2CCC(F)(F)C2)CC1 ZINC000948683056 613316788 /nfs/dbraw/zinc/31/67/88/613316788.db2.gz RKWVNWPFZGOUIH-CYBMUJFWSA-N 1 1 286.366 2.532 20 30 CFEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)CC1 ZINC000950446866 613317695 /nfs/dbraw/zinc/31/76/95/613317695.db2.gz ICDBKWNWKNIPON-CYBMUJFWSA-N 1 1 286.366 2.532 20 30 CFEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000949465215 613317845 /nfs/dbraw/zinc/31/78/45/613317845.db2.gz USRCZRLQBIOGGT-DLBZAZTESA-N 1 1 290.451 2.923 20 30 CFEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000957835730 613319124 /nfs/dbraw/zinc/31/91/24/613319124.db2.gz CYHLZLZMWCBBLI-OAHLLOKOSA-N 1 1 278.440 2.923 20 30 CFEDMO C=C(C)C[NH+]1CCN(C(=O)c2ccc3ccncc3c2)CC1 ZINC000957087867 613320988 /nfs/dbraw/zinc/32/09/88/613320988.db2.gz AZLRXHQIZAQRED-UHFFFAOYSA-N 1 1 295.386 2.569 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC000966916470 613323530 /nfs/dbraw/zinc/32/35/30/613323530.db2.gz SYLUCHBXJLLTMC-DOMZBBRYSA-N 1 1 289.423 2.648 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cccc(F)c2)C1 ZINC000964835614 613324115 /nfs/dbraw/zinc/32/41/15/613324115.db2.gz IZCJDZGHVKWKHQ-CJNGLKHVSA-N 1 1 290.382 2.842 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccoc2Cl)C1 ZINC000965931617 613324324 /nfs/dbraw/zinc/32/43/24/613324324.db2.gz MZIMDOGLIXVKCJ-YPMHNXCESA-N 1 1 296.798 2.949 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2cc(C)co2)C1 ZINC000967892024 613324494 /nfs/dbraw/zinc/32/44/94/613324494.db2.gz BQNTWQUMWMUPMT-KGLIPLIRSA-N 1 1 276.380 2.604 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2coc(C)c2)C1 ZINC000965951685 613324930 /nfs/dbraw/zinc/32/49/30/613324930.db2.gz HFJSQNXUXCKGJQ-DOMZBBRYSA-N 1 1 276.380 2.604 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cccs2)C1 ZINC000964802157 613326197 /nfs/dbraw/zinc/32/61/97/613326197.db2.gz IYRDMMVSJZDBOZ-CHWSQXEVSA-N 1 1 278.421 2.764 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2occc2CC)C1 ZINC000968255377 613326499 /nfs/dbraw/zinc/32/64/99/613326499.db2.gz QYLMJTYKOADDDX-UKRRQHHQSA-N 1 1 290.407 2.858 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C)C[C@@H]1C ZINC000947956726 613326537 /nfs/dbraw/zinc/32/65/37/613326537.db2.gz FTPMFMDDTDLZTN-QWHCGFSZSA-N 1 1 252.402 2.578 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C3CC3)CC2)[C@@H](C)C1 ZINC000942160048 613326867 /nfs/dbraw/zinc/32/68/67/613326867.db2.gz KOZOHQSZQUGBKY-DZGCQCFKSA-N 1 1 276.424 2.579 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C=C2CCC2)C(C)(C)C1 ZINC000940670281 613327288 /nfs/dbraw/zinc/32/72/88/613327288.db2.gz XCTOTOYMUJLGRA-OAHLLOKOSA-N 1 1 276.424 2.890 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2)[C@H](C)C1 ZINC000942188809 613327760 /nfs/dbraw/zinc/32/77/60/613327760.db2.gz MXEAOWWSDFCUNO-NVXWUHKLSA-N 1 1 286.419 2.632 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C)c2)C[C@H]1C ZINC000947834554 613330046 /nfs/dbraw/zinc/33/00/46/613330046.db2.gz ZYCMVDIGWMKCEU-GDBMZVCRSA-N 1 1 287.407 2.549 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2csnc2C)C[C@@H]1C ZINC000947191050 613331284 /nfs/dbraw/zinc/33/12/84/613331284.db2.gz MAPXHQSZKDRPIF-WCQYABFASA-N 1 1 293.436 2.610 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C3CC3)C2)C1 ZINC000961078386 613331943 /nfs/dbraw/zinc/33/19/43/613331943.db2.gz ITIJEQDMRWZHBK-HZPDHXFCSA-N 1 1 276.424 2.533 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC000968234701 613332056 /nfs/dbraw/zinc/33/20/56/613332056.db2.gz PYNZEZRUMPZITA-GJZGRUSLSA-N 1 1 276.424 2.745 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)Cc2occc2C)C1 ZINC000968233913 613332322 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C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C2CC2)C2CC2)C[C@H]1C ZINC000947912357 613334561 /nfs/dbraw/zinc/33/45/61/613334561.db2.gz JYRCQCUHKGDITE-CJNGLKHVSA-N 1 1 290.451 2.968 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2ccsc2)C[C@@H]1C ZINC000947017267 613335037 /nfs/dbraw/zinc/33/50/37/613335037.db2.gz GEYOHMGNHDMDAC-ZFWWWQNUSA-N 1 1 292.448 2.836 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccnc(C)c2)C[C@H]1C ZINC000947834557 613336507 /nfs/dbraw/zinc/33/65/07/613336507.db2.gz ZYCMVDIGWMKCEU-ZBFHGGJFSA-N 1 1 287.407 2.549 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccoc2C)[C@H](C)C1 ZINC000941783321 613336525 /nfs/dbraw/zinc/33/65/25/613336525.db2.gz BECPAKVMYROLHI-DOMZBBRYSA-N 1 1 276.380 2.604 20 30 CFEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccccc2)C(C)(C)C1 ZINC000972764057 613338633 /nfs/dbraw/zinc/33/86/33/613338633.db2.gz QHMVEFURQNZTIS-OAHLLOKOSA-N 1 1 272.392 2.703 20 30 CFEDMO C=C(C)C[N@H+]1C[C@@]2(C)CN(C(=O)c3ccco3)C[C@@]2(C)C1 ZINC000982188718 613340690 /nfs/dbraw/zinc/34/06/90/613340690.db2.gz AVECELFTOKAYAE-CALCHBBNSA-N 1 1 288.391 2.640 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](F)C(C)C)C[C@@]2(C)C1 ZINC000982443888 613340750 /nfs/dbraw/zinc/34/07/50/613340750.db2.gz WBZHFMNXFRDBOW-OIISXLGYSA-N 1 1 296.430 2.727 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@H](NC(=O)c2cc[nH]c2CC)C(C)(C)C1 ZINC000974492586 613342076 /nfs/dbraw/zinc/34/20/76/613342076.db2.gz PYZZXFPNYBYDQP-HNNXBMFYSA-N 1 1 289.423 2.593 20 30 CFEDMO C=C(C)C[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CCC3)C[C@@H]2C1 ZINC000979509095 613343598 /nfs/dbraw/zinc/34/35/98/613343598.db2.gz XEBULSYVMXOIGY-ARFHVFGLSA-N 1 1 276.424 2.579 20 30 CFEDMO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCC1(C)C ZINC000962916490 613345059 /nfs/dbraw/zinc/34/50/59/613345059.db2.gz DQEHXPAGIFDXMP-QXSJWSMHSA-N 1 1 290.451 2.825 20 30 CFEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)/C=C\c2ccco2)C1 ZINC000970984392 613367956 /nfs/dbraw/zinc/36/79/56/613367956.db2.gz ABRURWHINFTWJC-CFHLNLSMSA-N 1 1 294.782 2.578 20 30 CFEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)/C=C\c2ccco2)C1 ZINC000970984392 613367957 /nfs/dbraw/zinc/36/79/57/613367957.db2.gz ABRURWHINFTWJC-CFHLNLSMSA-N 1 1 294.782 2.578 20 30 CFEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000972109640 613368572 /nfs/dbraw/zinc/36/85/72/613368572.db2.gz OUFGGPIYIUNXSG-UKRRQHHQSA-N 1 1 282.815 2.628 20 30 CFEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000972109640 613368573 /nfs/dbraw/zinc/36/85/73/613368573.db2.gz OUFGGPIYIUNXSG-UKRRQHHQSA-N 1 1 282.815 2.628 20 30 CFEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC000971784605 613368667 /nfs/dbraw/zinc/36/86/67/613368667.db2.gz LENFVTHSIHQJKX-ZIAGYGMSSA-N 1 1 296.842 2.852 20 30 CFEDMO C=C(Cl)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCC23CC3)C1 ZINC000971784605 613368668 /nfs/dbraw/zinc/36/86/68/613368668.db2.gz LENFVTHSIHQJKX-ZIAGYGMSSA-N 1 1 296.842 2.852 20 30 CFEDMO C=C(Cl)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC2(C)C)C1 ZINC000972117361 613368719 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ZINC000941836310 613926374 /nfs/dbraw/zinc/92/63/74/613926374.db2.gz IREOGXDOBFFINO-RHSMWYFYSA-N 1 1 299.418 2.541 20 30 CFEDMO CC(C)C(=O)N[C@H]1C[N@H+](CC#Cc2ccccc2)CC[C@H]1C ZINC000965242536 613958599 /nfs/dbraw/zinc/95/85/99/613958599.db2.gz DMLYHBHQBRVUAH-AEFFLSMTSA-N 1 1 298.430 2.521 20 30 CFEDMO CC(C)C(=O)N[C@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1C ZINC000965242536 613958601 /nfs/dbraw/zinc/95/86/01/613958601.db2.gz DMLYHBHQBRVUAH-AEFFLSMTSA-N 1 1 298.430 2.521 20 30 CFEDMO CC(C)C(=O)N[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@@H]1C ZINC000965248157 613959771 /nfs/dbraw/zinc/95/97/71/613959771.db2.gz RWEYVDUPEFCJDU-YOEHRIQHSA-N 1 1 299.418 2.541 20 30 CFEDMO C[C@H](C#N)C(=O)N1CCC[N@@H+](CC2CCC(C)CC2)CC1 ZINC000980849801 614421159 /nfs/dbraw/zinc/42/11/59/614421159.db2.gz NZBCWUBMSWMWCJ-HWOWSKLDSA-N 1 1 291.439 2.507 20 30 CFEDMO CC[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000971105439 615634424 /nfs/dbraw/zinc/63/44/24/615634424.db2.gz LYGPUBAJPSHEGS-WMLDXEAASA-N 1 1 299.418 2.637 20 30 CFEDMO C=CC[N@H+](C(C)C)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891674596 617704349 /nfs/dbraw/zinc/70/43/49/617704349.db2.gz ISOVHSXOEHTOSE-QWHCGFSZSA-N 1 1 257.349 2.517 20 30 CFEDMO COC/C(C)=C\C[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933769941 617773982 /nfs/dbraw/zinc/77/39/82/617773982.db2.gz HWGZVTYSYNJALB-WCIBSUBMSA-N 1 1 250.367 2.644 20 30 CFEDMO C#CCCCCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000160283752 617906470 /nfs/dbraw/zinc/90/64/70/617906470.db2.gz WOGHNNAIMSNPQB-UHFFFAOYSA-N 1 1 293.455 2.744 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1 ZINC000934463259 618041652 /nfs/dbraw/zinc/04/16/52/618041652.db2.gz XHZWJZBERASCFA-CQSZACIVSA-N 1 1 274.364 2.674 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000934461528 618041662 /nfs/dbraw/zinc/04/16/62/618041662.db2.gz NPEDDAWZBBTVEE-LSDHHAIUSA-N 1 1 286.375 2.558 20 30 CFEDMO C=CC[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000890553998 617644866 /nfs/dbraw/zinc/64/48/66/617644866.db2.gz GNLIVSJVRKNWSS-SJORKVTESA-N 1 1 284.403 2.686 20 30 CFEDMO C=CC[C@@H]1CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000890560516 617652900 /nfs/dbraw/zinc/65/29/00/617652900.db2.gz YLCAFHFEUZCLEA-GOEBONIOSA-N 1 1 276.424 2.818 20 30 CFEDMO C=C(C)CNN=C1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000811651528 617665104 /nfs/dbraw/zinc/66/51/04/617665104.db2.gz BVQSCKLRSBJXPX-CQSZACIVSA-N 1 1 257.381 2.803 20 30 CFEDMO C=C(C)CNN=C1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000811651528 617665107 /nfs/dbraw/zinc/66/51/07/617665107.db2.gz BVQSCKLRSBJXPX-CQSZACIVSA-N 1 1 257.381 2.803 20 30 CFEDMO C=C(Br)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253095810 617678511 /nfs/dbraw/zinc/67/85/11/617678511.db2.gz PNUVDICRJFXAHE-QJPTWQEYSA-N 1 1 274.202 2.520 20 30 CFEDMO Fc1cc(C=[NH+]OC/C=C\Cl)ccc1N1CCOCC1 ZINC000811669517 617698967 /nfs/dbraw/zinc/69/89/67/617698967.db2.gz FVYWXIZIDFUUSL-NPKLEFMYSA-N 1 1 298.745 2.765 20 30 CFEDMO C=CC[C@@H](C(=O)OC)[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933607608 617719449 /nfs/dbraw/zinc/71/94/49/617719449.db2.gz SSGAGVYVLCKOJI-KRWDZBQOSA-N 1 1 298.386 2.855 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cs1 ZINC000891724306 617730693 /nfs/dbraw/zinc/73/06/93/617730693.db2.gz CRRMLHGIIPWDSF-GFCCVEGCSA-N 1 1 272.377 2.722 20 30 CFEDMO C#C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000890652803 617739237 /nfs/dbraw/zinc/73/92/37/617739237.db2.gz XSWRSSQWQYJWOV-CVEARBPZSA-N 1 1 288.435 2.655 20 30 CFEDMO C[N@@H+](Cc1cc(C#N)cs1)Cc1ccc(CO)cc1 ZINC000933773257 617775841 /nfs/dbraw/zinc/77/58/41/617775841.db2.gz IFQHEQRCYBAMLP-UHFFFAOYSA-N 1 1 272.373 2.744 20 30 CFEDMO CC(=NNC1=[NH+]C[C@H](C)N1)c1cc(Cl)ccc1Cl ZINC000779799585 617802930 /nfs/dbraw/zinc/80/29/30/617802930.db2.gz VVLGKWJLCTZPHD-ZETCQYMHSA-N 1 1 285.178 2.655 20 30 CFEDMO C[C@@]1(Br)C[C@H]1C[N@H+](CCC#N)CC1CC1 ZINC000891934812 617836423 /nfs/dbraw/zinc/83/64/23/617836423.db2.gz WPXDMQONDMKOPW-NWDGAFQWSA-N 1 1 271.202 2.786 20 30 CFEDMO C[C@@]1(Br)C[C@H]1C[N@@H+](CCC#N)CC1CC1 ZINC000891934812 617836430 /nfs/dbraw/zinc/83/64/30/617836430.db2.gz WPXDMQONDMKOPW-NWDGAFQWSA-N 1 1 271.202 2.786 20 30 CFEDMO C[N@@H+](CCNc1ccc(C#N)cc1CO)Cc1ccccc1 ZINC000891963207 617880437 /nfs/dbraw/zinc/88/04/37/617880437.db2.gz DNAWTERZTGVVBG-UHFFFAOYSA-N 1 1 295.386 2.594 20 30 CFEDMO C=CCCCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000890808785 617907488 /nfs/dbraw/zinc/90/74/88/617907488.db2.gz BUNMVNONOXITRM-CABCVRRESA-N 1 1 264.413 2.818 20 30 CFEDMO C=CCCCN(CC)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000890812955 617910395 /nfs/dbraw/zinc/91/03/95/617910395.db2.gz UAPFBRCRMSXYKP-CQSZACIVSA-N 1 1 275.396 2.569 20 30 CFEDMO COC1CCC(C[N@H+](CC#N)C2CCCC2)CC1 ZINC000892086941 617943204 /nfs/dbraw/zinc/94/32/04/617943204.db2.gz XJEXCDQRGXELGG-UHFFFAOYSA-N 1 1 250.386 2.960 20 30 CFEDMO COC1CCC(C[N@@H+](CC#N)C2CCCC2)CC1 ZINC000892086941 617943206 /nfs/dbraw/zinc/94/32/06/617943206.db2.gz XJEXCDQRGXELGG-UHFFFAOYSA-N 1 1 250.386 2.960 20 30 CFEDMO CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1C#N ZINC001021160173 617950831 /nfs/dbraw/zinc/95/08/31/617950831.db2.gz OAWHYURAHBMFSD-ALOPSCKCSA-N 1 1 297.402 2.580 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1occc1Br)C(C)C ZINC000300918987 617968210 /nfs/dbraw/zinc/96/82/10/617968210.db2.gz MRILYLSPDGHOER-SNVBAGLBSA-N 1 1 256.143 2.790 20 30 CFEDMO COc1cc(C(C)=NNC2=[NH+]C[C@@H](C)N2)cc2ccccc21 ZINC000901216835 620766130 /nfs/dbraw/zinc/76/61/30/620766130.db2.gz RGFDLZOSVQAKGY-LLVKDONJSA-N 1 1 296.374 2.510 20 30 CFEDMO Cc1c(Cl)ccc(C=NNC2=[NH+]C[C@@H](C)N2)c1Cl ZINC000901215295 620766347 /nfs/dbraw/zinc/76/63/47/620766347.db2.gz JANWEXXKWBXUNH-SSDOTTSWSA-N 1 1 285.178 2.573 20 30 CFEDMO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(OCC#N)cc1 ZINC000044533692 618026991 /nfs/dbraw/zinc/02/69/91/618026991.db2.gz LMQAHHYKRSLIOP-HUUCEWRRSA-N 1 1 287.407 2.581 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(C)(F)F)C1 ZINC001021501699 618031232 /nfs/dbraw/zinc/03/12/32/618031232.db2.gz JIVPEIRSCJUJKM-STQMWFEESA-N 1 1 286.366 2.531 20 30 CFEDMO C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccncc2)C1 ZINC001021500265 618031810 /nfs/dbraw/zinc/03/18/10/618031810.db2.gz VEBPRVNWGYCGDH-SJORKVTESA-N 1 1 299.418 2.584 20 30 CFEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C(=O)OC)c1ccccc1C ZINC000934460441 618038611 /nfs/dbraw/zinc/03/86/11/618038611.db2.gz JBHXLIFGMDBISM-HIFRSBDPSA-N 1 1 259.349 2.860 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C(=O)OC)c1ccccc1C ZINC000934460441 618038618 /nfs/dbraw/zinc/03/86/18/618038618.db2.gz JBHXLIFGMDBISM-HIFRSBDPSA-N 1 1 259.349 2.860 20 30 CFEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000934460460 618038639 /nfs/dbraw/zinc/03/86/39/618038639.db2.gz JKETYNYMWORKQA-LLVKDONJSA-N 1 1 250.273 2.884 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000934460460 618038646 /nfs/dbraw/zinc/03/86/46/618038646.db2.gz JKETYNYMWORKQA-LLVKDONJSA-N 1 1 250.273 2.884 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000934460488 618039019 /nfs/dbraw/zinc/03/90/19/618039019.db2.gz PQUHFUKQZPZIBW-HUUCEWRRSA-N 1 1 278.440 2.922 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000934459824 618039936 /nfs/dbraw/zinc/03/99/36/618039936.db2.gz MCFLUBOHBDLQFW-UKRRQHHQSA-N 1 1 274.339 2.581 20 30 CFEDMO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000934459943 618040235 /nfs/dbraw/zinc/04/02/35/618040235.db2.gz IJDYJJYDKYCUFU-VXGBXAGGSA-N 1 1 269.348 2.785 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1[C@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000934459943 618040239 /nfs/dbraw/zinc/04/02/39/618040239.db2.gz IJDYJJYDKYCUFU-VXGBXAGGSA-N 1 1 269.348 2.785 20 30 CFEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000934459941 618040410 /nfs/dbraw/zinc/04/04/10/618040410.db2.gz IJDYJJYDKYCUFU-NWDGAFQWSA-N 1 1 269.348 2.785 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)c1c[nH]c2ncccc12 ZINC000934459941 618040412 /nfs/dbraw/zinc/04/04/12/618040412.db2.gz IJDYJJYDKYCUFU-NWDGAFQWSA-N 1 1 269.348 2.785 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000934459977 618040590 /nfs/dbraw/zinc/04/05/90/618040590.db2.gz GKWYQDCUNXATMT-HNNXBMFYSA-N 1 1 278.440 2.922 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2occc2C)C1 ZINC001021525260 618042091 /nfs/dbraw/zinc/04/20/91/618042091.db2.gz FPPFBWPZASNBQX-LSDHHAIUSA-N 1 1 288.391 2.701 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000934464637 618042262 /nfs/dbraw/zinc/04/22/62/618042262.db2.gz GUSJPBJQSZITDB-AWEZNQCLSA-N 1 1 278.783 2.607 20 30 CFEDMO C=CC[C@@H]1CC[N@H+]1Cc1ccc(F)cc1C(=O)OC ZINC000934468794 618044723 /nfs/dbraw/zinc/04/47/23/618044723.db2.gz JRPKEVNJZFKBDE-CYBMUJFWSA-N 1 1 263.312 2.763 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(F)cc1C(=O)OC ZINC000934468794 618044727 /nfs/dbraw/zinc/04/47/27/618044727.db2.gz JRPKEVNJZFKBDE-CYBMUJFWSA-N 1 1 263.312 2.763 20 30 CFEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)N(CC)c1ccccc1 ZINC000934471648 618046709 /nfs/dbraw/zinc/04/67/09/618046709.db2.gz KLJPUEFUHDCBCO-CQSZACIVSA-N 1 1 258.365 2.690 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N(CC)c1ccccc1 ZINC000934471648 618046711 /nfs/dbraw/zinc/04/67/11/618046711.db2.gz KLJPUEFUHDCBCO-CQSZACIVSA-N 1 1 258.365 2.690 20 30 CFEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1cccc(C)c1C ZINC000934471606 618046966 /nfs/dbraw/zinc/04/69/66/618046966.db2.gz VQDXVEPHSXHFLM-CQSZACIVSA-N 1 1 258.365 2.892 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1cccc(C)c1C ZINC000934471606 618046968 /nfs/dbraw/zinc/04/69/68/618046968.db2.gz VQDXVEPHSXHFLM-CQSZACIVSA-N 1 1 258.365 2.892 20 30 CFEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)N1c2ccccc2C[C@@H]1C ZINC000934472559 618047025 /nfs/dbraw/zinc/04/70/25/618047025.db2.gz SCTWFFUHEAJUTH-DZGCQCFKSA-N 1 1 270.376 2.615 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N1c2ccccc2C[C@@H]1C ZINC000934472559 618047027 /nfs/dbraw/zinc/04/70/27/618047027.db2.gz SCTWFFUHEAJUTH-DZGCQCFKSA-N 1 1 270.376 2.615 20 30 CFEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)N[C@@H](C)c1cccs1 ZINC000934472359 618047773 /nfs/dbraw/zinc/04/77/73/618047773.db2.gz 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C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024661610 618434596 /nfs/dbraw/zinc/43/45/96/618434596.db2.gz JTDKOPAKLCBAAO-IXDOHACOSA-N 1 1 290.451 2.663 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001024670401 618438129 /nfs/dbraw/zinc/43/81/29/618438129.db2.gz PIXQJZBBJRBGEP-RBSFLKMASA-N 1 1 288.391 2.540 20 30 CFEDMO C=CCCCCC[C@H](C)[NH2+][C@H](C)c1n[nH]c(=O)n1C ZINC000895178326 618438719 /nfs/dbraw/zinc/43/87/19/618438719.db2.gz ZFKXGLSZQQXQLJ-NWDGAFQWSA-N 1 1 266.389 2.696 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001024681319 618441920 /nfs/dbraw/zinc/44/19/20/618441920.db2.gz OAVGDQZPXBBTLO-CABCVRRESA-N 1 1 276.424 2.723 20 30 CFEDMO C[C@H]([NH3+])[C@H](NCC(C)(C)CCC#N)c1ccccc1 ZINC000925672028 618443665 /nfs/dbraw/zinc/44/36/65/618443665.db2.gz GDJYKLPNSKONNA-ZFWWWQNUSA-N 1 1 259.397 2.994 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895184999 618448130 /nfs/dbraw/zinc/44/81/30/618448130.db2.gz 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ZINC000895384368 618561066 /nfs/dbraw/zinc/56/10/66/618561066.db2.gz LSLOBYWXZHJXJO-UHFFFAOYSA-N 1 1 298.411 2.770 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2F)C1 ZINC000895388954 618563182 /nfs/dbraw/zinc/56/31/82/618563182.db2.gz CPVNYKLLYJBTCU-LBPRGKRZSA-N 1 1 277.339 2.688 20 30 CFEDMO CC(C)C[C@@H](C[NH2+]CC#Cc1ccccc1)N(C)C ZINC000892534569 618615400 /nfs/dbraw/zinc/61/54/00/618615400.db2.gz OVDLWVMZAGDSJR-KRWDZBQOSA-N 1 1 258.409 2.604 20 30 CFEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000892596493 618647630 /nfs/dbraw/zinc/64/76/30/618647630.db2.gz QQGPWAPQGPKMCO-CVEARBPZSA-N 1 1 276.424 2.866 20 30 CFEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C=CCCC1 ZINC001017657368 618667980 /nfs/dbraw/zinc/66/79/80/618667980.db2.gz QCMPTAJKJVLFEM-OAGGEKHMSA-N 1 1 274.408 2.594 20 30 CFEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1C=CCCC1 ZINC001017657368 618667982 /nfs/dbraw/zinc/66/79/82/618667982.db2.gz QCMPTAJKJVLFEM-OAGGEKHMSA-N 1 1 274.408 2.594 20 30 CFEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001018121673 618685183 /nfs/dbraw/zinc/68/51/83/618685183.db2.gz CDCBNZJUGNFKAX-DLTWYDFYSA-N 1 1 276.424 2.530 20 30 CFEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC001018121673 618685186 /nfs/dbraw/zinc/68/51/86/618685186.db2.gz CDCBNZJUGNFKAX-DLTWYDFYSA-N 1 1 276.424 2.530 20 30 CFEDMO CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1[O-] ZINC000924591042 618705788 /nfs/dbraw/zinc/70/57/88/618705788.db2.gz DYRZSJKIDQIXIT-QGZVFWFLSA-N 1 1 299.418 2.931 20 30 CFEDMO C=C(Br)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000168271743 618716176 /nfs/dbraw/zinc/71/61/76/618716176.db2.gz XKVYCFTZQBIJJW-UHFFFAOYSA-N 1 1 285.141 2.901 20 30 CFEDMO CC(C)c1noc(CO[NH+]=C(N)C2CCCCC2)n1 ZINC000172412468 618745532 /nfs/dbraw/zinc/74/55/32/618745532.db2.gz UGGBFGVJMIWEDE-UHFFFAOYSA-N 1 1 266.345 2.562 20 30 CFEDMO C=CC(C)(C)CC(=O)O[C@@H](C)Cn1cc[nH+]c1C ZINC000892833317 618754642 /nfs/dbraw/zinc/75/46/42/618754642.db2.gz MAIYVAAXEQCYQQ-NSHDSACASA-N 1 1 250.342 2.726 20 30 CFEDMO CCn1cc(C[NH2+]Cc2ccc(C#N)cc2F)c(C)n1 ZINC000892910459 618768165 /nfs/dbraw/zinc/76/81/65/618768165.db2.gz CLMOCZCOAFTUGD-UHFFFAOYSA-N 1 1 272.327 2.512 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC000852497580 618776236 /nfs/dbraw/zinc/77/62/36/618776236.db2.gz WZCPIDSHAPTUJQ-FRRDWIJNSA-N 1 1 271.788 2.793 20 30 CFEDMO CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]CC(C)(C)C#N ZINC000926875224 618778807 /nfs/dbraw/zinc/77/88/07/618778807.db2.gz WTHIVEBCVOUFAH-NHYWBVRUSA-N 1 1 291.370 2.531 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(OC)o1 ZINC000892973226 618787877 /nfs/dbraw/zinc/78/78/77/618787877.db2.gz OLALJJRJVLAAKG-UHFFFAOYSA-N 1 1 271.316 2.590 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CCC(=O)OCC)C1 ZINC000162297412 618837213 /nfs/dbraw/zinc/83/72/13/618837213.db2.gz CQGIKBCDKRLZGH-GFCCVEGCSA-N 1 1 259.777 2.794 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000775183995 618848822 /nfs/dbraw/zinc/84/88/22/618848822.db2.gz RJIJZCYIPHNJSN-QWHCGFSZSA-N 1 1 263.356 2.966 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2sccc2C)C1 ZINC001006604276 618884036 /nfs/dbraw/zinc/88/40/36/618884036.db2.gz UGYFSZZZFWJIOJ-CYBMUJFWSA-N 1 1 278.421 2.827 20 30 CFEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1ccccc1OC(F)(F)F ZINC000777452247 618958277 /nfs/dbraw/zinc/95/82/77/618958277.db2.gz BQQOIKYFMMFLAG-VIFPVBQESA-N 1 1 287.285 2.935 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001009156258 618982028 /nfs/dbraw/zinc/98/20/28/618982028.db2.gz VXXDKECZWAZHLP-HIFRSBDPSA-N 1 1 264.413 2.579 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC001006713649 619002524 /nfs/dbraw/zinc/00/25/24/619002524.db2.gz HMAZKOUOFVONMQ-AWEZNQCLSA-N 1 1 276.380 2.667 20 30 CFEDMO C[N@H+](Cc1ccc2c(c1)CCCO2)CC(C)(C)C#N ZINC000258928616 619089721 /nfs/dbraw/zinc/08/97/21/619089721.db2.gz ONRCXBABVQQPPZ-UHFFFAOYSA-N 1 1 258.365 2.993 20 30 CFEDMO C[N@@H+](Cc1ccc2c(c1)CCCO2)CC(C)(C)C#N ZINC000258928616 619089722 /nfs/dbraw/zinc/08/97/22/619089722.db2.gz ONRCXBABVQQPPZ-UHFFFAOYSA-N 1 1 258.365 2.993 20 30 CFEDMO C[C@@H](C#N)C(=O)N1CC2(C1)CCC[N@@H+](CCC(C)(C)C)C2 ZINC000981671696 619135458 /nfs/dbraw/zinc/13/54/58/619135458.db2.gz FKGIKKCDFDHPKV-AWEZNQCLSA-N 1 1 291.439 2.507 20 30 CFEDMO CC[N@H+](CCNCc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000236873214 619182971 /nfs/dbraw/zinc/18/29/71/619182971.db2.gz RYVKZEXDWPVUKZ-CQSZACIVSA-N 1 1 287.407 2.551 20 30 CFEDMO CC[N@@H+](CCNCc1ccc(O[C@H](C)C#N)cc1)C1CC1 ZINC000236873214 619182972 /nfs/dbraw/zinc/18/29/72/619182972.db2.gz RYVKZEXDWPVUKZ-CQSZACIVSA-N 1 1 287.407 2.551 20 30 CFEDMO CC[N@@H+](CCNCc1ccc(O[C@@H](C)C#N)cc1)C(C)C ZINC000236873029 619183072 /nfs/dbraw/zinc/18/30/72/619183072.db2.gz XQFGEBUDCXJNCM-HNNXBMFYSA-N 1 1 289.423 2.797 20 30 CFEDMO CCN(CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)C(C)C ZINC000236873029 619183073 /nfs/dbraw/zinc/18/30/73/619183073.db2.gz XQFGEBUDCXJNCM-HNNXBMFYSA-N 1 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CC(C)[N@H+]1CCC[C@@H]1C(=O)OCCc1ccc(C#N)cc1 ZINC000923891936 620445099 /nfs/dbraw/zinc/44/50/99/620445099.db2.gz RZZYAVNYHKZWGH-MRXNPFEDSA-N 1 1 286.375 2.517 20 30 CFEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000899130690 620524287 /nfs/dbraw/zinc/52/42/87/620524287.db2.gz ZONMAIOHPHPARW-SFHVURJKSA-N 1 1 296.414 2.805 20 30 CFEDMO CCn1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)nn1 ZINC000899868469 620607541 /nfs/dbraw/zinc/60/75/41/620607541.db2.gz BJRJVTIWJGYEQE-INIZCTEOSA-N 1 1 283.379 2.823 20 30 CFEDMO C=C(C)c1cccc(NC[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000899916129 620613612 /nfs/dbraw/zinc/61/36/12/620613612.db2.gz GKIRHSPHVZDDFW-MRXNPFEDSA-N 1 1 260.381 2.587 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3C=CC=CC=C3)CCC[C@@H]12 ZINC000990933833 620950193 /nfs/dbraw/zinc/95/01/93/620950193.db2.gz GYLSVEPSEVIBJH-AEFFLSMTSA-N 1 1 284.403 2.584 20 30 CFEDMO CCOc1ccc(C=NOCCCc2c[nH+]cn2C)cc1 ZINC000902142229 620986195 /nfs/dbraw/zinc/98/61/95/620986195.db2.gz RBYIYWDFHJSXJE-UHFFFAOYSA-N 1 1 287.363 2.802 20 30 CFEDMO C=CC[C@@H]([NH2+]Cc1cn(CC)cn1)c1ccncc1 ZINC000902244637 621010661 /nfs/dbraw/zinc/01/06/61/621010661.db2.gz KHRHZFMMXVUJIK-OAHLLOKOSA-N 1 1 256.353 2.705 20 30 CFEDMO CCn1cnc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1 ZINC000902290801 621016468 /nfs/dbraw/zinc/01/64/68/621016468.db2.gz LJMPKUQBHCBJGP-LBPRGKRZSA-N 1 1 254.337 2.625 20 30 CFEDMO CNc1ccc(C)cc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000902516946 621115675 /nfs/dbraw/zinc/11/56/75/621115675.db2.gz IBFLPOWDIQYZNA-UHFFFAOYSA-N 1 1 266.348 2.593 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+]2CC[C@H](OCC)C2)c1O ZINC000902527673 621118024 /nfs/dbraw/zinc/11/80/24/621118024.db2.gz FOFYJAZGMJEZOR-HNNXBMFYSA-N 1 1 291.391 2.740 20 30 CFEDMO C[C@@H]1CC(=O)N(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1 ZINC000902589691 621126226 /nfs/dbraw/zinc/12/62/26/621126226.db2.gz KKIAEZINPDMGTN-CQSZACIVSA-N 1 1 297.402 2.564 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000801919950 621128212 /nfs/dbraw/zinc/12/82/12/621128212.db2.gz PMUQZZJOXFGJTR-OLZOCXBDSA-N 1 1 262.328 2.544 20 30 CFEDMO CC[C@H](NCC[NH+](CC)CC)c1cccc(C#N)c1 ZINC000902723130 621157783 /nfs/dbraw/zinc/15/77/83/621157783.db2.gz LXEZWOLMEAJDBT-INIZCTEOSA-N 1 1 259.397 2.941 20 30 CFEDMO N#Cc1ccnc(COc2cc[nH+]c3c2CCCC3)c1 ZINC000902762675 621162635 /nfs/dbraw/zinc/16/26/35/621162635.db2.gz IRYIERXJVXJTRJ-UHFFFAOYSA-N 1 1 265.316 2.806 20 30 CFEDMO C[C@H](CN[C@@H](C)c1cc(C#N)ccn1)[N@H+]1CCCC[C@@H]1C ZINC000902746798 621163646 /nfs/dbraw/zinc/16/36/46/621163646.db2.gz OKPIRXSRKHIXQL-ZNMIVQPWSA-N 1 1 286.423 2.867 20 30 CFEDMO C[C@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)N1CCCC[C@@H]1C ZINC000902746798 621163647 /nfs/dbraw/zinc/16/36/47/621163647.db2.gz OKPIRXSRKHIXQL-ZNMIVQPWSA-N 1 1 286.423 2.867 20 30 CFEDMO C[C@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)N1CCC(C)CC1 ZINC000902780592 621172153 /nfs/dbraw/zinc/17/21/53/621172153.db2.gz KYSCXJVTZUGFSL-HUUCEWRRSA-N 1 1 286.423 2.724 20 30 CFEDMO Cc1ncsc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902794267 621178276 /nfs/dbraw/zinc/17/82/76/621178276.db2.gz USENJLDUEDRJOI-SECBINFHSA-N 1 1 258.350 2.569 20 30 CFEDMO Cc1ncc2c(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902810480 621183961 /nfs/dbraw/zinc/18/39/61/621183961.db2.gz VIIFTNXLUOHBJF-ABAIWWIYSA-N 1 1 293.374 2.780 20 30 CFEDMO CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902888244 621200046 /nfs/dbraw/zinc/20/00/46/621200046.db2.gz RESQOSPHJCZGGS-LBPRGKRZSA-N 1 1 297.406 2.662 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cn1)[C@H]1CCCO1 ZINC000902958901 621214235 /nfs/dbraw/zinc/21/42/35/621214235.db2.gz WSQWUVLGVOAOCL-SCDSUCTJSA-N 1 1 298.308 2.932 20 30 CFEDMO C[C@@H](NC[C@@H]1[N@H+](C)CCCC1(C)C)c1cc(C#N)ccn1 ZINC000902976834 621216175 /nfs/dbraw/zinc/21/61/75/621216175.db2.gz VLEZWPNDIKJKFP-CJNGLKHVSA-N 1 1 286.423 2.724 20 30 CFEDMO C[C@@H](NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1cc(C#N)ccn1 ZINC000902976834 621216176 /nfs/dbraw/zinc/21/61/76/621216176.db2.gz VLEZWPNDIKJKFP-CJNGLKHVSA-N 1 1 286.423 2.724 20 30 CFEDMO C[C@@H](NC[C@H]1[N@H+](C)CCCC1(C)C)c1cc(C#N)ccn1 ZINC000902976835 621216252 /nfs/dbraw/zinc/21/62/52/621216252.db2.gz VLEZWPNDIKJKFP-CZUORRHYSA-N 1 1 286.423 2.724 20 30 CFEDMO C[C@@H](NC[C@H]1[N@@H+](C)CCCC1(C)C)c1cc(C#N)ccn1 ZINC000902976835 621216254 /nfs/dbraw/zinc/21/62/54/621216254.db2.gz VLEZWPNDIKJKFP-CZUORRHYSA-N 1 1 286.423 2.724 20 30 CFEDMO CC[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1 ZINC000902992773 621219632 /nfs/dbraw/zinc/21/96/32/621219632.db2.gz LZEYUDFAYNOSNA-LSDHHAIUSA-N 1 1 280.375 2.880 20 30 CFEDMO C[C@@H](NCC[N@H+]1CCCC(C)(C)C1)c1cc(C#N)ccn1 ZINC000902973073 621220919 /nfs/dbraw/zinc/22/09/19/621220919.db2.gz NQONSHPOZPMHSS-CQSZACIVSA-N 1 1 286.423 2.726 20 30 CFEDMO C[C@@H]([NH2+]CCN1CCCC(C)(C)C1)c1cc(C#N)ccn1 ZINC000902973073 621220921 /nfs/dbraw/zinc/22/09/21/621220921.db2.gz NQONSHPOZPMHSS-CQSZACIVSA-N 1 1 286.423 2.726 20 30 CFEDMO CC[C@H](NC[C@H](C)C[NH+](C)C)c1cccc(C#N)c1 ZINC000902998723 621224633 /nfs/dbraw/zinc/22/46/33/621224633.db2.gz HOWWYIZXDPUIJM-BBRMVZONSA-N 1 1 259.397 2.797 20 30 CFEDMO CC(=O)Nc1ccc([C@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000903033531 621230388 /nfs/dbraw/zinc/23/03/88/621230388.db2.gz WQIWIWYLFNMRKY-LBPRGKRZSA-N 1 1 271.364 2.989 20 30 CFEDMO CC(C)C[N@@H+](C)CCCN[C@@H](C)c1cc(C#N)ccn1 ZINC000903039765 621231716 /nfs/dbraw/zinc/23/17/16/621231716.db2.gz XMRWOUVIEYYBME-AWEZNQCLSA-N 1 1 274.412 2.582 20 30 CFEDMO C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cc(C#N)ccn1 ZINC000903049991 621241461 /nfs/dbraw/zinc/24/14/61/621241461.db2.gz NFJOFDLBAGOPBE-GOPGUHFVSA-N 1 1 279.343 2.782 20 30 CFEDMO C[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccns1 ZINC000903073865 621251484 /nfs/dbraw/zinc/25/14/84/621251484.db2.gz VNTPTWLYQKDNQT-NXEZZACHSA-N 1 1 258.350 2.822 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccns1 ZINC000903073867 621251738 /nfs/dbraw/zinc/25/17/38/621251738.db2.gz VNTPTWLYQKDNQT-VHSXEESVSA-N 1 1 258.350 2.822 20 30 CFEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1(C#N)CC1 ZINC000903106141 621255588 /nfs/dbraw/zinc/25/55/88/621255588.db2.gz MWUWNXJQLWTDTR-OAHLLOKOSA-N 1 1 251.333 2.829 20 30 CFEDMO C[N@H+]1CC[C@H](NCC2(C#N)CCCC2)[C@@H]2CCC[C@H]21 ZINC000903108544 621255861 /nfs/dbraw/zinc/25/58/61/621255861.db2.gz CTFJKZBXDAGORT-SOUVJXGZSA-N 1 1 261.413 2.533 20 30 CFEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000903263015 621304104 /nfs/dbraw/zinc/30/41/04/621304104.db2.gz KDVKDIUYQZOYSJ-LBPRGKRZSA-N 1 1 297.383 2.878 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000903452698 621387201 /nfs/dbraw/zinc/38/72/01/621387201.db2.gz QWYCIBOOZZKVGJ-GOSISDBHSA-N 1 1 283.419 2.751 20 30 CFEDMO C[C@@H]1CC[C@H](CN)[N@@H+](CC2CCC(C#N)CC2)[C@H]1C ZINC000903482851 621392984 /nfs/dbraw/zinc/39/29/84/621392984.db2.gz VUNOLMLZHCUSBT-AKZYDZMLSA-N 1 1 263.429 2.764 20 30 CFEDMO CCC[C@H]1CNCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903744906 621435372 /nfs/dbraw/zinc/43/53/72/621435372.db2.gz YWIRPQCTHQMCLX-HNNXBMFYSA-N 1 1 263.429 2.924 20 30 CFEDMO CCC[C@H]1CNCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903744906 621435373 /nfs/dbraw/zinc/43/53/73/621435373.db2.gz YWIRPQCTHQMCLX-HNNXBMFYSA-N 1 1 263.429 2.924 20 30 CFEDMO N#CC1(CCCC[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000903770276 621437821 /nfs/dbraw/zinc/43/78/21/621437821.db2.gz WHXUXVUJDGQNLW-GDBMZVCRSA-N 1 1 261.413 2.664 20 30 CFEDMO N#CC1(CCCC[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000903770276 621437825 /nfs/dbraw/zinc/43/78/25/621437825.db2.gz WHXUXVUJDGQNLW-GDBMZVCRSA-N 1 1 261.413 2.664 20 30 CFEDMO N#Cc1ccc(C2CCN(CCC[NH2+]C3CC3)CC2)cc1 ZINC000903823553 621449699 /nfs/dbraw/zinc/44/96/99/621449699.db2.gz HNEYNOFPJFHOIX-UHFFFAOYSA-N 1 1 283.419 2.880 20 30 CFEDMO CC(C)C[C@@H](N)C[NH2+]C(C)(C)Cc1ccc(C#N)cc1 ZINC000903987357 621499717 /nfs/dbraw/zinc/49/97/17/621499717.db2.gz CZDNGMFIWUJNKL-MRXNPFEDSA-N 1 1 273.424 2.842 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000832721837 625496515 /nfs/dbraw/zinc/49/65/15/625496515.db2.gz PAGQIPMWILSECN-ZDUSSCGKSA-N 1 1 284.469 2.532 20 30 CFEDMO C[C@@H]1[C@H](C(=O)N(O)Cc2cccc3ccccc32)CC[N@H+]1C ZINC000904170420 621540677 /nfs/dbraw/zinc/54/06/77/621540677.db2.gz CCRGUUAFKBNCBR-CZUORRHYSA-N 1 1 298.386 2.898 20 30 CFEDMO Cc1[nH+]ccn1CCCC(=O)N(O)Cc1ccc(F)cc1 ZINC000904175866 621542738 /nfs/dbraw/zinc/54/27/38/621542738.db2.gz YCDQXNRUZPYYAP-UHFFFAOYSA-N 1 1 291.326 2.529 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(C)nc2)no1 ZINC000904552390 621607893 /nfs/dbraw/zinc/60/78/93/621607893.db2.gz ARRVUSKZTDCUCP-LBPRGKRZSA-N 1 1 258.325 2.796 20 30 CFEDMO C[N@H+]1CC[C@H]1C/N=C\c1c(O)ccc2ccccc21 ZINC000905001903 621680247 /nfs/dbraw/zinc/68/02/47/621680247.db2.gz CWKBKOLQVRLHDK-MFVBVHDHSA-N 1 1 254.333 2.668 20 30 CFEDMO CC(C)[N@H+](C)Cc1cn(CC2(C#N)CCCCC2)nn1 ZINC000905059495 621694894 /nfs/dbraw/zinc/69/48/94/621694894.db2.gz SGTGDQSDVCPINZ-UHFFFAOYSA-N 1 1 275.400 2.592 20 30 CFEDMO CC(C)[N@@H+](C)Cc1cn(CC2(C#N)CCCCC2)nn1 ZINC000905059495 621694895 /nfs/dbraw/zinc/69/48/95/621694895.db2.gz SGTGDQSDVCPINZ-UHFFFAOYSA-N 1 1 275.400 2.592 20 30 CFEDMO CC[N@@H+]1[C@H](C)CN(C(=O)Nc2cccc(C#N)c2)C[C@@H]1C ZINC000905160503 621709470 /nfs/dbraw/zinc/70/94/70/621709470.db2.gz COADXSUVHWKPGA-BETUJISGSA-N 1 1 286.379 2.505 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccsc1C#N ZINC000905317100 621740033 /nfs/dbraw/zinc/74/00/33/621740033.db2.gz QIHWCMBXAAVQMB-GFCCVEGCSA-N 1 1 291.420 2.614 20 30 CFEDMO C=CC[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1)C(=O)OC ZINC000905762137 621854299 /nfs/dbraw/zinc/85/42/99/621854299.db2.gz QSVKOAOHYQOVFK-SYQHCUMBSA-N 1 1 251.370 2.663 20 30 CFEDMO C=CC[C@H]([NH2+]C[C@H]1CCCO[C@H]1C(C)(C)C)C(=O)OC ZINC000905763788 621855157 /nfs/dbraw/zinc/85/51/57/621855157.db2.gz ZVMHXHOTQIXRKO-HZSPNIEDSA-N 1 1 283.412 2.535 20 30 CFEDMO C=CC[C@H]([NH2+]C[C@@H]1CCCO[C@H]1C(C)(C)C)C(=O)OC ZINC000905763792 621855384 /nfs/dbraw/zinc/85/53/84/621855384.db2.gz ZVMHXHOTQIXRKO-MELADBBJSA-N 1 1 283.412 2.535 20 30 CFEDMO C=CC[C@H]([NH2+]CC1CCC(F)(F)CC1)C(=O)OC ZINC000905766835 621857273 /nfs/dbraw/zinc/85/72/73/621857273.db2.gz HPAQNZPRSJDMAH-NSHDSACASA-N 1 1 261.312 2.519 20 30 CFEDMO C=CC[C@H]([NH2+]C[C@H]1CCC[C@H]1C1CC1)C(=O)OC ZINC000905774117 621862077 /nfs/dbraw/zinc/86/20/77/621862077.db2.gz XWOWJKKURPHCIP-RDBSUJKOSA-N 1 1 251.370 2.520 20 30 CFEDMO CC[C@](O)(C[N@@H+](C)Cc1cccc(C#N)c1)C(F)(F)F ZINC000905903094 621893853 /nfs/dbraw/zinc/89/38/53/621893853.db2.gz FWQAYUJEHDQECZ-ZDUSSCGKSA-N 1 1 286.297 2.693 20 30 CFEDMO C=CC[N@@H+](Cc1cccs1)C[C@H](O)CCC1(O)CCC1 ZINC000905900014 621894036 /nfs/dbraw/zinc/89/40/36/621894036.db2.gz NXSCGTNORPPZIB-CQSZACIVSA-N 1 1 295.448 2.792 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000905916963 621900136 /nfs/dbraw/zinc/90/01/36/621900136.db2.gz LJJCVLHBNAKECD-INIZCTEOSA-N 1 1 299.418 2.730 20 30 CFEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1F ZINC000905937141 621904259 /nfs/dbraw/zinc/90/42/59/621904259.db2.gz ZZQWXGUERAJWJJ-CQSZACIVSA-N 1 1 275.327 2.509 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C#N)ccc1F ZINC000905937141 621904260 /nfs/dbraw/zinc/90/42/60/621904260.db2.gz ZZQWXGUERAJWJJ-CQSZACIVSA-N 1 1 275.327 2.509 20 30 CFEDMO CC(C)[N@@H+](C)CCCNC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000906101286 621930619 /nfs/dbraw/zinc/93/06/19/621930619.db2.gz IOFFAWAUWMYXPL-DQPZFDDXSA-N 1 1 291.439 2.553 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)Nc2cc(C#N)ccc2C)C1 ZINC000906448443 621991111 /nfs/dbraw/zinc/99/11/11/621991111.db2.gz LUZZXANYIFNPOK-HNNXBMFYSA-N 1 1 285.391 2.927 20 30 CFEDMO C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000907806524 622162775 /nfs/dbraw/zinc/16/27/75/622162775.db2.gz BYIGLGMLKQHODO-HUUCEWRRSA-N 1 1 264.413 2.676 20 30 CFEDMO CNc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000907931381 622171843 /nfs/dbraw/zinc/17/18/43/622171843.db2.gz CCJFDCFJBUCUTF-CZUORRHYSA-N 1 1 298.390 2.555 20 30 CFEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000908261429 622209224 /nfs/dbraw/zinc/20/92/24/622209224.db2.gz JADCBVFCNBSEPQ-PBMMVSLJSA-N 1 1 291.439 2.551 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC3(F)F)CCC[C@@H]12 ZINC000991299486 622504545 /nfs/dbraw/zinc/50/45/45/622504545.db2.gz LQVRTPOGXGAZGB-GZBFAFLISA-N 1 1 298.377 2.721 20 30 CFEDMO CCCN(C(=O)c1cc(C)c(C#N)c(C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000911513302 622525481 /nfs/dbraw/zinc/52/54/81/622525481.db2.gz XUOGNLQKXDBGTJ-MRXNPFEDSA-N 1 1 299.418 2.731 20 30 CFEDMO C=C[C@H](CC)CC(=O)N1CC[NH2+]Cc2ccccc21 ZINC000911762569 622549181 /nfs/dbraw/zinc/54/91/81/622549181.db2.gz YNPSSUXOWGFSDC-CYBMUJFWSA-N 1 1 258.365 2.725 20 30 CFEDMO C[C@@H](N[NH+]=Cc1ccc(N(C)C)c(F)c1)c1ccncc1 ZINC000819815418 622562529 /nfs/dbraw/zinc/56/25/29/622562529.db2.gz QBBPLVZSBBKZQZ-GFCCVEGCSA-N 1 1 286.354 2.971 20 30 CFEDMO C[C@H]1CN(Cc2ccc(C#N)cc2)CCN1c1cc[nH+]cc1 ZINC000819924214 622572895 /nfs/dbraw/zinc/57/28/95/622572895.db2.gz IGDXVSXUUYRPEF-HNNXBMFYSA-N 1 1 292.386 2.664 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCCC34CC4)CCC[C@@H]12 ZINC000991362616 622603347 /nfs/dbraw/zinc/60/33/47/622603347.db2.gz RUJFMNYHLITPDT-IIDMSEBBSA-N 1 1 288.435 2.866 20 30 CFEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C3CCC3)CCC[C@H]12 ZINC000991363062 622606210 /nfs/dbraw/zinc/60/62/10/622606210.db2.gz VHFRSOOEVWJLAF-QILLFSRXSA-N 1 1 288.435 2.559 20 30 CFEDMO C#CC[NH2+]CC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 ZINC000912002466 622606369 /nfs/dbraw/zinc/60/63/69/622606369.db2.gz RULMWSXLIXEXQJ-UHFFFAOYSA-N 1 1 299.399 2.588 20 30 CFEDMO CCC(C#N)(CC)C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000912027686 622607940 /nfs/dbraw/zinc/60/79/40/622607940.db2.gz USOCFVMNGDVMRF-ZDUSSCGKSA-N 1 1 279.428 2.505 20 30 CFEDMO C=CCCSCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000912379059 622697044 /nfs/dbraw/zinc/69/70/44/622697044.db2.gz MNOADACISOLIIJ-AWEZNQCLSA-N 1 1 284.469 2.534 20 30 CFEDMO C=CC[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000912389523 622704007 /nfs/dbraw/zinc/70/40/07/622704007.db2.gz UNHVTPADEYDGIF-OWCLPIDISA-N 1 1 276.424 2.818 20 30 CFEDMO C=CCCC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000912728609 622769541 /nfs/dbraw/zinc/76/95/41/622769541.db2.gz HTACDJIDPNCVSZ-ZIAGYGMSSA-N 1 1 264.413 2.864 20 30 CFEDMO C=C(C)C(C)(C)C(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000820994828 622815434 /nfs/dbraw/zinc/81/54/34/622815434.db2.gz STVQZZRQCSZOTG-CHWSQXEVSA-N 1 1 251.370 2.759 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CCCC#N ZINC000913098145 622835781 /nfs/dbraw/zinc/83/57/81/622835781.db2.gz ZCHHOBAVXTXOPG-DOTOQJQBSA-N 1 1 299.418 2.707 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CCCC#N ZINC000913098148 622836072 /nfs/dbraw/zinc/83/60/72/622836072.db2.gz ZCHHOBAVXTXOPG-WBVHZDCISA-N 1 1 299.418 2.707 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCO[C@@H](CC)C2)c1O ZINC000163884062 622927562 /nfs/dbraw/zinc/92/75/62/622927562.db2.gz NCRWWZORPNTNNZ-HNNXBMFYSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H](CC)C2)c1O ZINC000163884062 622927568 /nfs/dbraw/zinc/92/75/68/622927568.db2.gz NCRWWZORPNTNNZ-HNNXBMFYSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCOC[C@@H]2CC)c1O ZINC000164359302 622950396 /nfs/dbraw/zinc/95/03/96/622950396.db2.gz CHQCNZYHGDJQTL-HNNXBMFYSA-N 1 1 291.391 2.740 20 30 CFEDMO NC(=[NH+]OCc1ccon1)C12CC3CC(CC(C3)C1)C2 ZINC000156929253 622974054 /nfs/dbraw/zinc/97/40/54/622974054.db2.gz SUYLBSDDFURGAK-UHFFFAOYSA-N 1 1 275.352 2.680 20 30 CFEDMO C#Cc1cccc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000056598984 622984902 /nfs/dbraw/zinc/98/49/02/622984902.db2.gz AOTVRTLBRIVRFK-LSDHHAIUSA-N 1 1 299.418 2.910 20 30 CFEDMO N#CCC[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000821877348 622999279 /nfs/dbraw/zinc/99/92/79/622999279.db2.gz MEBGXHOCZRPSON-KRWDZBQOSA-N 1 1 296.370 2.597 20 30 CFEDMO CCCCCCC[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000157537016 623038657 /nfs/dbraw/zinc/03/86/57/623038657.db2.gz LWQJCIGRMVFMGL-CQSZACIVSA-N 1 1 252.402 2.700 20 30 CFEDMO CCCCCCCC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000158058241 623088109 /nfs/dbraw/zinc/08/81/09/623088109.db2.gz YKTHQGSBJWTEHC-OAHLLOKOSA-N 1 1 287.469 2.998 20 30 CFEDMO C=C(Br)C[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000168235290 623089648 /nfs/dbraw/zinc/08/96/48/623089648.db2.gz HHICRAJTBQIVBK-UHFFFAOYSA-N 1 1 286.169 2.789 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](CC)C[C@@H]1C ZINC000822569390 623128083 /nfs/dbraw/zinc/12/80/83/623128083.db2.gz SHFOMSIVRHPCHF-KBPBESRZSA-N 1 1 252.402 2.531 20 30 CFEDMO C[C@H](c1cccs1)c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000822832165 623184118 /nfs/dbraw/zinc/18/41/18/623184118.db2.gz SJPGRMGFBPYQOD-ZJUUUORDSA-N 1 1 276.365 2.977 20 30 CFEDMO Cc1ccccc1OCc1noc([C@H]([NH3+])CCCC#N)n1 ZINC000822852130 623188222 /nfs/dbraw/zinc/18/82/22/623188222.db2.gz PAXMTWHBFRJRNE-GFCCVEGCSA-N 1 1 286.335 2.651 20 30 CFEDMO CCS[C@@H](C)c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000822869932 623192495 /nfs/dbraw/zinc/19/24/95/623192495.db2.gz NNTHQGDQLUFUAD-IUCAKERBSA-N 1 1 254.359 2.577 20 30 CFEDMO C#Cc1cccc(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000171324573 623217030 /nfs/dbraw/zinc/21/70/30/623217030.db2.gz GGLTXPPQNLNQGL-SFHVURJKSA-N 1 1 292.382 2.934 20 30 CFEDMO C[N@@H+](Cc1ccccc1O)Cc1ccccc1C#N ZINC000171926769 623249043 /nfs/dbraw/zinc/24/90/43/623249043.db2.gz PCBRQVUIEXUDKO-UHFFFAOYSA-N 1 1 252.317 2.896 20 30 CFEDMO C=CCCC[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000172177783 623269736 /nfs/dbraw/zinc/26/97/36/623269736.db2.gz FPHLKGXCDHGOGA-CYBMUJFWSA-N 1 1 268.401 2.799 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccc(F)cc2F)no1 ZINC000823248321 623275440 /nfs/dbraw/zinc/27/54/40/623275440.db2.gz OLJUNEUXKVLGAI-LLVKDONJSA-N 1 1 278.262 2.708 20 30 CFEDMO CC(C)C#CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000823268795 623280099 /nfs/dbraw/zinc/28/00/99/623280099.db2.gz QJQFNSAIACSASW-NVXWUHKLSA-N 1 1 284.403 2.598 20 30 CFEDMO C[N@@H+](CCCCCCCO)Cc1ccc(C#N)cc1 ZINC000173472040 623350356 /nfs/dbraw/zinc/35/03/56/623350356.db2.gz PQKSKOUJNUYKCW-UHFFFAOYSA-N 1 1 260.381 2.933 20 30 CFEDMO CCCCC(N)=[NH+]OCC(=O)N(c1ccccc1)C(C)C ZINC000063460219 623353108 /nfs/dbraw/zinc/35/31/08/623353108.db2.gz XATMLTKWHRDRIH-UHFFFAOYSA-N 1 1 291.395 2.907 20 30 CFEDMO C#CCCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000174095946 623386866 /nfs/dbraw/zinc/38/68/66/623386866.db2.gz BFGFABAXJKVQCO-HNNXBMFYSA-N 1 1 293.455 2.600 20 30 CFEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1C#N ZINC000174359679 623415303 /nfs/dbraw/zinc/41/53/03/623415303.db2.gz KKGVKXAWNUIBSV-UHFFFAOYSA-N 1 1 295.317 2.867 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)c3ccccc3n2)C1 ZINC001014978777 623438709 /nfs/dbraw/zinc/43/87/09/623438709.db2.gz NDOWUVDKKMDLHJ-CQSZACIVSA-N 1 1 295.386 2.533 20 30 CFEDMO N#CC1CCC(C[N@H+]2CCCC[C@@H]2C2OCCO2)CC1 ZINC000929503528 623449681 /nfs/dbraw/zinc/44/96/81/623449681.db2.gz ICCNHCYVYDTQFZ-YMAMQOFZSA-N 1 1 278.396 2.544 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3C)CCC[C@H]12 ZINC000992114265 623458060 /nfs/dbraw/zinc/45/80/60/623458060.db2.gz UFYCICMURMSVHN-PBOSXPJTSA-N 1 1 282.815 2.508 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3C)CCC[C@H]12 ZINC000992114265 623458062 /nfs/dbraw/zinc/45/80/62/623458062.db2.gz UFYCICMURMSVHN-PBOSXPJTSA-N 1 1 282.815 2.508 20 30 CFEDMO C#CC[N@H+]1CC[C@]2(NC(=O)CC3CC(C)(C)C3)CCC[C@H]12 ZINC000992132728 623464510 /nfs/dbraw/zinc/46/45/10/623464510.db2.gz UUUZHVQQBKBNGM-MAUKXSAKSA-N 1 1 288.435 2.559 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)[C@@H]1CCCO1 ZINC000824196709 623467575 /nfs/dbraw/zinc/46/75/75/623467575.db2.gz WFGFOMHPEFDZMT-KGLIPLIRSA-N 1 1 290.750 2.752 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C3CCC(F)CC3)CCC[C@H]12 ZINC000992152137 623470183 /nfs/dbraw/zinc/47/01/83/623470183.db2.gz LRGRAJUVUFINCJ-UMPYDWHISA-N 1 1 294.414 2.814 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)Cc3cccc(C)c3)CCC[C@@H]12 ZINC000992151377 623470630 /nfs/dbraw/zinc/47/06/30/623470630.db2.gz IEFBKMLDSQPGIO-MJGOQNOKSA-N 1 1 298.430 2.837 20 30 CFEDMO C#CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000184823123 625654117 /nfs/dbraw/zinc/65/41/17/625654117.db2.gz QPRLCZICOXDXHM-UHFFFAOYSA-N 1 1 288.391 2.647 20 30 CFEDMO C#CC[N@H+](CCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000184823123 625654121 /nfs/dbraw/zinc/65/41/21/625654121.db2.gz QPRLCZICOXDXHM-UHFFFAOYSA-N 1 1 288.391 2.647 20 30 CFEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@H]12 ZINC000992189766 623480790 /nfs/dbraw/zinc/48/07/90/623480790.db2.gz OHXCHKRHMSYHNO-CBZIJGRNSA-N 1 1 288.435 2.559 20 30 CFEDMO C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@@H]12 ZINC000992189774 623481194 /nfs/dbraw/zinc/48/11/94/623481194.db2.gz OHXCHKRHMSYHNO-KONPQCLYSA-N 1 1 288.435 2.559 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000824296405 623485094 /nfs/dbraw/zinc/48/50/94/623485094.db2.gz DHBAUBFYMJYWAA-CQSZACIVSA-N 1 1 296.370 2.825 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000824296405 623485097 /nfs/dbraw/zinc/48/50/97/623485097.db2.gz DHBAUBFYMJYWAA-CQSZACIVSA-N 1 1 296.370 2.825 20 30 CFEDMO CC(=[NH+]NC(=S)NCC1CCC1)c1ccc(N)cc1C ZINC000758120129 623500201 /nfs/dbraw/zinc/50/02/01/623500201.db2.gz JFKKQOVNJAWOJY-UHFFFAOYSA-N 1 1 290.436 2.565 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@H]12 ZINC000992261194 623501081 /nfs/dbraw/zinc/50/10/81/623501081.db2.gz IQFVVDNKJAYVMH-NYTXWWLZSA-N 1 1 296.842 2.898 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@H]12 ZINC000992261194 623501088 /nfs/dbraw/zinc/50/10/88/623501088.db2.gz IQFVVDNKJAYVMH-NYTXWWLZSA-N 1 1 296.842 2.898 20 30 CFEDMO CCCCCCCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000758204814 623501769 /nfs/dbraw/zinc/50/17/69/623501769.db2.gz XQUWVNSOWGHWNN-HIFRSBDPSA-N 1 1 266.429 2.946 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC34CC4)CCC[C@@H]12 ZINC000992275919 623503288 /nfs/dbraw/zinc/50/32/88/623503288.db2.gz SOJBQQYGJYPEIR-HDMKZQKVSA-N 1 1 288.435 2.866 20 30 CFEDMO Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)C[C@H](O)CC#N)cc1 ZINC000929723123 623525932 /nfs/dbraw/zinc/52/59/32/623525932.db2.gz IJQQAODYOXGMIM-IXDOHACOSA-N 1 1 272.392 2.838 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+](CC)C[C@H]1CCCO1 ZINC000092407632 623545178 /nfs/dbraw/zinc/54/51/78/623545178.db2.gz IHORNNLLDNVENI-MRXNPFEDSA-N 1 1 273.376 2.700 20 30 CFEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)c3ccccc3)CCC[C@@H]12 ZINC000992433493 623556955 /nfs/dbraw/zinc/55/69/55/623556955.db2.gz RJKZNWPZKYGGBW-KVSKMBFKSA-N 1 1 296.414 2.537 20 30 CFEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)cc(C)c3)CCC[C@H]12 ZINC000992443992 623561162 /nfs/dbraw/zinc/56/11/62/623561162.db2.gz ADKIXBWVKGTKLS-HKUYNNGSSA-N 1 1 296.414 2.663 20 30 CFEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)ccc3C)CCC[C@H]12 ZINC000992464678 623581672 /nfs/dbraw/zinc/58/16/72/623581672.db2.gz QMWVFXBIMLYHSR-HKUYNNGSSA-N 1 1 296.414 2.663 20 30 CFEDMO C#CC[N@@H+](Cc1cc(C(F)(F)F)nn1C)C1CCCC1 ZINC000824902032 623584701 /nfs/dbraw/zinc/58/47/01/623584701.db2.gz PKQGQCREWSEELE-UHFFFAOYSA-N 1 1 285.313 2.817 20 30 CFEDMO C#CC[N@H+](Cc1cc(C(F)(F)F)nn1C)C1CCCC1 ZINC000824902032 623584708 /nfs/dbraw/zinc/58/47/08/623584708.db2.gz PKQGQCREWSEELE-UHFFFAOYSA-N 1 1 285.313 2.817 20 30 CFEDMO C#CCOc1ccc(C[NH2+]Cc2cnc(CC)o2)cc1 ZINC000825078934 623623374 /nfs/dbraw/zinc/62/33/74/623623374.db2.gz GCZGYXNWQVXTQU-UHFFFAOYSA-N 1 1 270.332 2.539 20 30 CFEDMO C=CCC[C@H]([NH2+]C1CC(C(F)F)C1)C(=O)OCC ZINC000825117705 623634230 /nfs/dbraw/zinc/63/42/30/623634230.db2.gz KCAPWSYBUINGFU-ILDUYXDCSA-N 1 1 261.312 2.518 20 30 CFEDMO Cc1ccccc1[C@@H]1CN(C(=O)CCCCC#N)CC[NH2+]1 ZINC000825152974 623640526 /nfs/dbraw/zinc/64/05/26/623640526.db2.gz KFCDKCMGESHPET-INIZCTEOSA-N 1 1 285.391 2.552 20 30 CFEDMO COc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)cc1C#N ZINC000825172482 623644046 /nfs/dbraw/zinc/64/40/46/623644046.db2.gz UVWXGURDRXJDOP-UHFFFAOYSA-N 1 1 283.331 2.722 20 30 CFEDMO C#CCOc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)cc1 ZINC000825171918 623644281 /nfs/dbraw/zinc/64/42/81/623644281.db2.gz ADKYCNDPAKMNHC-UHFFFAOYSA-N 1 1 282.343 2.854 20 30 CFEDMO COc1cccnc1C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000825249863 623658555 /nfs/dbraw/zinc/65/85/55/623658555.db2.gz PWLMPEHPDHVUHY-ZDUSSCGKSA-N 1 1 297.358 2.671 20 30 CFEDMO Cc1nn(C)c(C[NH2+]Cc2ccc(C#N)cc2)c1Cl ZINC000089231927 623674494 /nfs/dbraw/zinc/67/44/94/623674494.db2.gz GONAYDCMNRWNLR-UHFFFAOYSA-N 1 1 274.755 2.543 20 30 CFEDMO CC[N@H+](CC1(C#N)CC1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825417771 623689333 /nfs/dbraw/zinc/68/93/33/623689333.db2.gz UTPVCRPBJJXUTQ-GFCCVEGCSA-N 1 1 296.378 2.553 20 30 CFEDMO CC[N@@H+](CC1(C#N)CC1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825417771 623689336 /nfs/dbraw/zinc/68/93/36/623689336.db2.gz UTPVCRPBJJXUTQ-GFCCVEGCSA-N 1 1 296.378 2.553 20 30 CFEDMO C#C[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000825701814 623742536 /nfs/dbraw/zinc/74/25/36/623742536.db2.gz FNFQNEKWKFBXGZ-NVXWUHKLSA-N 1 1 299.418 2.535 20 30 CFEDMO C#C[C@@H](NCc1c[nH+]c(C)n1C)c1ccc(Cl)cc1F ZINC000825886814 623765464 /nfs/dbraw/zinc/76/54/64/623765464.db2.gz 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C#CC(C)(C)[N@H+](C)Cc1cccc(C(=O)OC)c1Cl ZINC000829243607 624406841 /nfs/dbraw/zinc/40/68/41/624406841.db2.gz HPJXKQVSYFNRKZ-UHFFFAOYSA-N 1 1 279.767 2.970 20 30 CFEDMO CCCCCCC[C@@H](C)CNC(=O)N1CC[NH+](C)CC1 ZINC000918136254 624421530 /nfs/dbraw/zinc/42/15/30/624421530.db2.gz OMRKXXOWOIBBAT-OAHLLOKOSA-N 1 1 283.460 2.940 20 30 CFEDMO N#CC1CCC(C[N@H+]2CCc3ccccc3[C@H]2CO)CC1 ZINC000930023892 624436207 /nfs/dbraw/zinc/43/62/07/624436207.db2.gz HMRXHTRBGLNAOY-JTTJXQCZSA-N 1 1 284.403 2.908 20 30 CFEDMO CC(C)C#CC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000829477756 624441443 /nfs/dbraw/zinc/44/14/43/624441443.db2.gz PWMLRZYMIGYCHQ-INIZCTEOSA-N 1 1 286.419 2.673 20 30 CFEDMO C=CCCCC[N@@H+]1CC[C@@](C(=O)OC)(C(F)(F)F)C1 ZINC000829708223 624512611 /nfs/dbraw/zinc/51/26/11/624512611.db2.gz INFZPUCYZHCNJZ-GFCCVEGCSA-N 1 1 279.302 2.770 20 30 CFEDMO C#CCCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000766895488 624512808 /nfs/dbraw/zinc/51/28/08/624512808.db2.gz KNEJVHZYHASNRC-QGZVFWFLSA-N 1 1 262.441 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GTUOXBJMJHDSDL-DOTOQJQBSA-N 1 1 290.451 2.807 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000829773869 624531059 /nfs/dbraw/zinc/53/10/59/624531059.db2.gz KJYBSTSTVUNEJV-CYBMUJFWSA-N 1 1 258.321 2.830 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000829779337 624534616 /nfs/dbraw/zinc/53/46/16/624534616.db2.gz QSGOBHGUOADKCW-UONOGXRCSA-N 1 1 288.366 2.888 20 30 CFEDMO CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930061352 624534668 /nfs/dbraw/zinc/53/46/68/624534668.db2.gz LIIMDEVFBAPUAN-AWEZNQCLSA-N 1 1 278.783 2.947 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2ncc(C)c(OC)c2C)C1 ZINC000829779663 624534689 /nfs/dbraw/zinc/53/46/89/624534689.db2.gz YLSWOWDTVOHTJQ-OAHLLOKOSA-N 1 1 272.392 2.942 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2F)C1 ZINC000829779446 624534757 /nfs/dbraw/zinc/53/47/57/624534757.db2.gz UTLONOAQIIOKMM-CJNGLKHVSA-N 1 1 261.340 2.594 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cn3c(cccc3C)n2)C1 ZINC000829779241 624534888 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C#CC[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000829804426 624544921 /nfs/dbraw/zinc/54/49/21/624544921.db2.gz GZUWWTNIKBCJJZ-HNNXBMFYSA-N 1 1 280.375 2.503 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000829810027 624548976 /nfs/dbraw/zinc/54/89/76/624548976.db2.gz KOMMYVXMRRSIFK-CYBMUJFWSA-N 1 1 288.347 2.839 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000829815588 624553606 /nfs/dbraw/zinc/55/36/06/624553606.db2.gz OVEBZQZRGLLYAD-CYBMUJFWSA-N 1 1 256.324 2.933 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2nnc(C(C)C)s2)C1 ZINC000829815584 624554147 /nfs/dbraw/zinc/55/41/47/624554147.db2.gz OUEJFUMOHJDIEA-GFCCVEGCSA-N 1 1 263.410 2.897 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2nnc(C(C)C)s2)C1 ZINC000829815584 624554154 /nfs/dbraw/zinc/55/41/54/624554154.db2.gz OUEJFUMOHJDIEA-GFCCVEGCSA-N 1 1 263.410 2.897 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000829816063 624556301 /nfs/dbraw/zinc/55/63/01/624556301.db2.gz YTJXJIXCMGTYKI-CQSZACIVSA-N 1 1 280.412 2.637 20 30 CFEDMO COc1ccc2c(c1)C[C@@H](C[N@H+](C[C@H](C)C#N)C1CC1)O2 ZINC000930087863 624590484 /nfs/dbraw/zinc/59/04/84/624590484.db2.gz OESJTHRCHGUFFK-WBMJQRKESA-N 1 1 286.375 2.623 20 30 CFEDMO COc1ccc2c(c1)C[C@@H](C[N@@H+](C[C@H](C)C#N)C1CC1)O2 ZINC000930087863 624590488 /nfs/dbraw/zinc/59/04/88/624590488.db2.gz OESJTHRCHGUFFK-WBMJQRKESA-N 1 1 286.375 2.623 20 30 CFEDMO N#CC[C@]1(O)CC[N@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000829975397 624592844 /nfs/dbraw/zinc/59/28/44/624592844.db2.gz QZIGHGWZYSZDHK-AWEZNQCLSA-N 1 1 298.358 2.852 20 30 CFEDMO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(SC(F)F)cc2)C1 ZINC000829975397 624592848 /nfs/dbraw/zinc/59/28/48/624592848.db2.gz QZIGHGWZYSZDHK-AWEZNQCLSA-N 1 1 298.358 2.852 20 30 CFEDMO C=CC1(CC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC000830110578 624632257 /nfs/dbraw/zinc/63/22/57/624632257.db2.gz HHEKMATZAOYKJT-KGLIPLIRSA-N 1 1 264.413 2.722 20 30 CFEDMO C=CC1(CC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)CCCCC1 ZINC000830110575 624632505 /nfs/dbraw/zinc/63/25/05/624632505.db2.gz HHEKMATZAOYKJT-KBPBESRZSA-N 1 1 264.413 2.722 20 30 CFEDMO COc1cc(C[N@H+](CCC#N)CC(C)C)cc(OC)c1O ZINC000919943419 624645392 /nfs/dbraw/zinc/64/53/92/624645392.db2.gz LGPRJARJBLSIAQ-UHFFFAOYSA-N 1 1 292.379 2.781 20 30 CFEDMO COc1cc(C[N@@H+](CCC#N)CC(C)C)cc(OC)c1O ZINC000919943419 624645399 /nfs/dbraw/zinc/64/53/99/624645399.db2.gz LGPRJARJBLSIAQ-UHFFFAOYSA-N 1 1 292.379 2.781 20 30 CFEDMO C#CC[N@H+](CC)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000920094306 624674311 /nfs/dbraw/zinc/67/43/11/624674311.db2.gz CYTJZFFGRPXGAY-QGZVFWFLSA-N 1 1 283.371 2.535 20 30 CFEDMO C#CC[N@H+](CC)C[C@H](O)c1ccc2ccccc2c1 ZINC000920095238 624676469 /nfs/dbraw/zinc/67/64/69/624676469.db2.gz MNVJCJXWRFJZBP-KRWDZBQOSA-N 1 1 253.345 2.828 20 30 CFEDMO C#CC1CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000830321722 624707302 /nfs/dbraw/zinc/70/73/02/624707302.db2.gz YUBNUBHWIIVLCI-UHFFFAOYSA-N 1 1 283.350 2.857 20 30 CFEDMO C#CC1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000830333960 624712207 /nfs/dbraw/zinc/71/22/07/624712207.db2.gz RDLYLYVVRHQUFS-GFCCVEGCSA-N 1 1 281.359 2.742 20 30 CFEDMO C=C1CCC(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000920403450 624718034 /nfs/dbraw/zinc/71/80/34/624718034.db2.gz AUTUWKFXXAZTNC-UKRRQHHQSA-N 1 1 279.428 2.515 20 30 CFEDMO C#Cc1ccc(NC(=O)CC[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000929203780 624809952 /nfs/dbraw/zinc/80/99/52/624809952.db2.gz OOYZKPQUBRUHNG-CYBMUJFWSA-N 1 1 270.376 2.727 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CNCC(C)(C)C[NH+](C)C ZINC000921470399 624887428 /nfs/dbraw/zinc/88/74/28/624887428.db2.gz CDARDQZVYRZBAB-UHFFFAOYSA-N 1 1 273.424 2.853 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[NH2+]CC(C)(C)CN(C)C ZINC000921470399 624887432 /nfs/dbraw/zinc/88/74/32/624887432.db2.gz CDARDQZVYRZBAB-UHFFFAOYSA-N 1 1 273.424 2.853 20 30 CFEDMO CCN1CCC([NH2+]Cc2c(C)cc(C#N)cc2C)CC1 ZINC000921492046 624899748 /nfs/dbraw/zinc/89/97/48/624899748.db2.gz BXDPYKQBDPNWSY-UHFFFAOYSA-N 1 1 271.408 2.749 20 30 CFEDMO CC[NH+]1CCC(NCc2c(C)cc(C#N)cc2C)CC1 ZINC000921492046 624899756 /nfs/dbraw/zinc/89/97/56/624899756.db2.gz BXDPYKQBDPNWSY-UHFFFAOYSA-N 1 1 271.408 2.749 20 30 CFEDMO C=C1CCC(CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000830985113 624947238 /nfs/dbraw/zinc/94/72/38/624947238.db2.gz KZPRNWRWGYVMAO-INIZCTEOSA-N 1 1 276.424 2.866 20 30 CFEDMO N#CCCCC[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000068854441 625033663 /nfs/dbraw/zinc/03/36/63/625033663.db2.gz DYCSSVRPFFTLQN-INIZCTEOSA-N 1 1 286.375 2.888 20 30 CFEDMO N#CCCCC[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000068854441 625033673 /nfs/dbraw/zinc/03/36/73/625033673.db2.gz DYCSSVRPFFTLQN-INIZCTEOSA-N 1 1 286.375 2.888 20 30 CFEDMO C=C(Cl)C[N@H+]1C[C@@H](C(=O)NCCCC)CC[C@H]1C ZINC000069173688 625059283 /nfs/dbraw/zinc/05/92/83/625059283.db2.gz NCNYCZQBVUSQJO-OLZOCXBDSA-N 1 1 272.820 2.756 20 30 CFEDMO C#CCOc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cc1 ZINC000181094838 625065009 /nfs/dbraw/zinc/06/50/09/625065009.db2.gz MOVOKQGQKBEEDK-AEFFLSMTSA-N 1 1 287.403 2.682 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000181272822 625093024 /nfs/dbraw/zinc/09/30/24/625093024.db2.gz ZEORPVKTJUQSKM-UHFFFAOYSA-N 1 1 251.301 2.742 20 30 CFEDMO C=C(Cl)C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832040826 625210232 /nfs/dbraw/zinc/21/02/32/625210232.db2.gz IXVJPKOWUZFOTH-OLZOCXBDSA-N 1 1 271.788 2.747 20 30 CFEDMO C=C(CC)C[N@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832054520 625213932 /nfs/dbraw/zinc/21/39/32/625213932.db2.gz OAKWTJULSYDFAC-CABCVRRESA-N 1 1 265.397 2.960 20 30 CFEDMO CCCCC(N)=[NH+]OCc1nc([C@@H](C)OCC(C)C)no1 ZINC000072920249 625741016 /nfs/dbraw/zinc/74/10/16/625741016.db2.gz TXIKEQIXQBWLBY-LLVKDONJSA-N 1 1 298.387 2.782 20 30 CFEDMO COc1ccc(OC)c(C[NH2+]Cc2csc(C#N)c2)c1 ZINC000921501311 625782129 /nfs/dbraw/zinc/78/21/29/625782129.db2.gz HPEYORLZIIOZES-UHFFFAOYSA-N 1 1 288.372 2.927 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@@H](CC)c2ccn(C)n2)cc1 ZINC000834891557 625911399 /nfs/dbraw/zinc/91/13/99/625911399.db2.gz ODQAUQSMPNCDHE-INIZCTEOSA-N 1 1 283.375 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287.451 2.835 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](CC)CCCCC)CC1 ZINC000775685984 628055765 /nfs/dbraw/zinc/05/57/65/628055765.db2.gz AZRZKKCQZPTGPK-INIZCTEOSA-N 1 1 278.440 2.760 20 30 CFEDMO C#CCC[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000775835808 628073754 /nfs/dbraw/zinc/07/37/54/628073754.db2.gz ARPLTNKUNSLMBO-KFWWJZLASA-N 1 1 277.408 2.985 20 30 CFEDMO CC[NH+](CC)[C@H](C(=O)OCC1(C#N)CC1)c1ccccc1 ZINC000775857077 628076558 /nfs/dbraw/zinc/07/65/58/628076558.db2.gz RWXNPXJDCVKVQY-HNNXBMFYSA-N 1 1 286.375 2.916 20 30 CFEDMO C=CC[N@@H+](Cc1ccc2c(c1)CCC(=O)N2C)C(C)C ZINC000775913023 628083296 /nfs/dbraw/zinc/08/32/96/628083296.db2.gz UUKCABRNMAMXTQ-UHFFFAOYSA-N 1 1 272.392 2.992 20 30 CFEDMO C#CCCC[NH2+][C@H](C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000776021111 628094657 /nfs/dbraw/zinc/09/46/57/628094657.db2.gz IKPAGSXCFLIGKE-STQMWFEESA-N 1 1 253.386 2.746 20 30 CFEDMO C=CC[NH+]1CCC(NCc2nccc3ccccc32)CC1 ZINC000776169477 628110610 /nfs/dbraw/zinc/11/06/10/628110610.db2.gz NXLXGPCTAIRPKR-UHFFFAOYSA-N 1 1 281.403 2.975 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1cnccn1 ZINC000776185590 628113020 /nfs/dbraw/zinc/11/30/20/628113020.db2.gz JFRDDSXCUHLEIW-AWEZNQCLSA-N 1 1 295.390 2.787 20 30 CFEDMO C=CCCC[C@@H](C)NC(=S)NC[C@H]1CCC[N@@H+]1CC ZINC000776203998 628116823 /nfs/dbraw/zinc/11/68/23/628116823.db2.gz UEENCPVNGPAJNT-ZIAGYGMSSA-N 1 1 283.485 2.680 20 30 CFEDMO C#CCOCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000852038449 634632960 /nfs/dbraw/zinc/63/29/60/634632960.db2.gz DKZGPTKMXUKPEV-KZNAEPCWSA-N 1 1 269.388 2.904 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@H]1CC[C@H](OC)C1 ZINC000852041730 634633964 /nfs/dbraw/zinc/63/39/64/634633964.db2.gz QPIMUSZFSVKYBF-KBPBESRZSA-N 1 1 279.380 2.718 20 30 CFEDMO C#CCOCC[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000852044747 634634216 /nfs/dbraw/zinc/63/42/16/634634216.db2.gz BGTHSGHMCAYNRZ-UHFFFAOYSA-N 1 1 292.810 2.502 20 30 CFEDMO C#CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776610713 628164908 /nfs/dbraw/zinc/16/49/08/628164908.db2.gz VWYMEDLBSVTLTP-UONOGXRCSA-N 1 1 280.412 2.730 20 30 CFEDMO C=C(C)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000776606999 628165041 /nfs/dbraw/zinc/16/50/41/628165041.db2.gz QJGCDIKEVKYNQJ-STQMWFEESA-N 1 1 268.401 2.892 20 30 CFEDMO C#CC[N@H+](CCc1nc(C(C)=O)c(C)[nH]1)Cc1ccccc1 ZINC000852044403 634634343 /nfs/dbraw/zinc/63/43/43/634634343.db2.gz GQAPOWPVECLIFG-UHFFFAOYSA-N 1 1 295.386 2.599 20 30 CFEDMO C#CC[N@@H+](CCc1nc(C)c(C(C)=O)[nH]1)Cc1ccccc1 ZINC000852044403 634634354 /nfs/dbraw/zinc/63/43/54/634634354.db2.gz GQAPOWPVECLIFG-UHFFFAOYSA-N 1 1 295.386 2.599 20 30 CFEDMO C#CC[N@H+](CCc1nc(C)c(C(C)=O)[nH]1)Cc1ccccc1 ZINC000852044403 634634356 /nfs/dbraw/zinc/63/43/56/634634356.db2.gz GQAPOWPVECLIFG-UHFFFAOYSA-N 1 1 295.386 2.599 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CC[C@H](OC)C1 ZINC000852041732 634634582 /nfs/dbraw/zinc/63/45/82/634634582.db2.gz QPIMUSZFSVKYBF-KGLIPLIRSA-N 1 1 279.380 2.718 20 30 CFEDMO C[C@H](NC[C@@H](C1CC1)[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000776730306 628172377 /nfs/dbraw/zinc/17/23/77/628172377.db2.gz QCFFQQOTZVBHQT-ZBEGNZNMSA-N 1 1 275.371 2.688 20 30 CFEDMO C[C@H](NCC[N@@H+]1CCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000776741103 628173523 /nfs/dbraw/zinc/17/35/23/628173523.db2.gz QETKYQUVCKIVIY-STQMWFEESA-N 1 1 275.371 2.832 20 30 CFEDMO C[C@H](NCC[N@H+]1CCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000776741103 628173525 /nfs/dbraw/zinc/17/35/25/628173525.db2.gz QETKYQUVCKIVIY-STQMWFEESA-N 1 1 275.371 2.832 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000776788270 628177941 /nfs/dbraw/zinc/17/79/41/628177941.db2.gz LAEBUUDTJWQQPX-UHFFFAOYSA-N 1 1 293.370 2.598 20 30 CFEDMO C#CC[N@H+](CCO[C@@H]1CC1(F)F)Cc1ccccc1 ZINC000852045377 634635675 /nfs/dbraw/zinc/63/56/75/634635675.db2.gz LKLINFAGXBBREE-CQSZACIVSA-N 1 1 265.303 2.546 20 30 CFEDMO C#CCOc1cc(F)ccc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000777123911 628201955 /nfs/dbraw/zinc/20/19/55/628201955.db2.gz QBUYWELALVFVAJ-JSGCOSHPSA-N 1 1 276.355 2.732 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000777439205 628225801 /nfs/dbraw/zinc/22/58/01/628225801.db2.gz WTVUWELQAMYVFP-SFHVURJKSA-N 1 1 296.345 2.791 20 30 CFEDMO C=CC[N@@H+](Cc1cc(=O)oc2cc(O)ccc12)C(C)C ZINC000777559103 628236477 /nfs/dbraw/zinc/23/64/77/628236477.db2.gz RFWQDACFCXMNCD-UHFFFAOYSA-N 1 1 273.332 2.895 20 30 CFEDMO COC[C@@H](C)N[NH+]=C(C)c1cc(Cl)c(N)c(Cl)c1 ZINC000777890566 628261564 /nfs/dbraw/zinc/26/15/64/628261564.db2.gz DSAZVCYZSTVALC-SSDOTTSWSA-N 1 1 290.194 2.924 20 30 CFEDMO C#CCOc1cccc(Cl)c1CNC[C@H]1CCC[N@@H+]1C ZINC000778163807 628282509 /nfs/dbraw/zinc/28/25/09/628282509.db2.gz IAMSNAYLZYJNAS-CYBMUJFWSA-N 1 1 292.810 2.536 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[NH2+]C[C@H]1CCCN1C ZINC000778163807 628282510 /nfs/dbraw/zinc/28/25/10/628282510.db2.gz IAMSNAYLZYJNAS-CYBMUJFWSA-N 1 1 292.810 2.536 20 30 CFEDMO C#CCOCC[N@H+](C)Cc1ccc(Br)cc1C ZINC000778224021 628289226 /nfs/dbraw/zinc/28/92/26/628289226.db2.gz PCANABMSMIPWRS-UHFFFAOYSA-N 1 1 296.208 2.839 20 30 CFEDMO CCCCCCCC[N@H+]1CC[C@@H](OC)C[C@@H]1C(=O)OC ZINC000778232191 628290657 /nfs/dbraw/zinc/29/06/57/628290657.db2.gz GJHLGADZTCWIJR-HUUCEWRRSA-N 1 1 285.428 2.999 20 30 CFEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)cc1 ZINC000778244645 628292073 /nfs/dbraw/zinc/29/20/73/628292073.db2.gz CBWHYWARDLSIKR-SFHVURJKSA-N 1 1 298.386 2.769 20 30 CFEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)cc1 ZINC000778244645 628292076 /nfs/dbraw/zinc/29/20/76/628292076.db2.gz CBWHYWARDLSIKR-SFHVURJKSA-N 1 1 298.386 2.769 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](CC=C)c1ccccc1 ZINC000778633605 628321556 /nfs/dbraw/zinc/32/15/56/628321556.db2.gz GYKWYOWKTLEKNT-QZTJIDSGSA-N 1 1 297.398 2.987 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCOC[C@@H](C)C1 ZINC000779158810 628357194 /nfs/dbraw/zinc/35/71/94/628357194.db2.gz YLPUUHRUOPVFRT-ZDUSSCGKSA-N 1 1 293.794 2.820 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000779158810 628357197 /nfs/dbraw/zinc/35/71/97/628357197.db2.gz YLPUUHRUOPVFRT-ZDUSSCGKSA-N 1 1 293.794 2.820 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000779158355 628357317 /nfs/dbraw/zinc/35/73/17/628357317.db2.gz OOUIUSBEPPRUKD-INIZCTEOSA-N 1 1 293.794 2.699 20 30 CFEDMO CC(N=Nc1cccnn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779771486 628401701 /nfs/dbraw/zinc/40/17/01/628401701.db2.gz JEHHCFRUBBDBBC-MRXNPFEDSA-N 1 1 295.390 2.787 20 30 CFEDMO FC(F)(F)COc1ccccc1C=NNc1cc[nH+]cc1 ZINC000779808006 628408571 /nfs/dbraw/zinc/40/85/71/628408571.db2.gz ACWZIMBPHKXOAO-UHFFFAOYSA-N 1 1 295.264 2.891 20 30 CFEDMO Cc1cccc(-c2n[nH]cc2C=NNc2cc[nH+]cc2)c1 ZINC000779809011 628408673 /nfs/dbraw/zinc/40/86/73/628408673.db2.gz RFRZIJNWEDLALZ-UHFFFAOYSA-N 1 1 277.331 2.648 20 30 CFEDMO C(=NNc1cc[nH+]cc1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000779809007 628408821 /nfs/dbraw/zinc/40/88/21/628408821.db2.gz REKYJZKAGCBYRI-QGZVFWFLSA-N 1 1 297.358 2.507 20 30 CFEDMO Clc1nc(Cl)c(C=NNc2cc[nH+]cc2)s1 ZINC000779809613 628409140 /nfs/dbraw/zinc/40/91/40/628409140.db2.gz LKTKVJLASGPVSO-UHFFFAOYSA-N 1 1 273.148 2.713 20 30 CFEDMO CCC(=[NH+][N-]c1cc[nH+]cc1)c1ccc(N(C)C)cc1 ZINC000779809594 628409195 /nfs/dbraw/zinc/40/91/95/628409195.db2.gz ZIGONAOASKEDIF-UHFFFAOYSA-N 1 1 268.364 2.796 20 30 CFEDMO Cc1cc(C=NNc2cc[nH+]cc2)c(C)n1C[C@@H]1CCCO1 ZINC000779809644 628409329 /nfs/dbraw/zinc/40/93/29/628409329.db2.gz RISCCOVYINQTJV-KRWDZBQOSA-N 1 1 298.390 2.547 20 30 CFEDMO COc1c(C)cc(C=NNc2cc[nH+]cc2)cc1C ZINC000779810057 628409336 /nfs/dbraw/zinc/40/93/36/628409336.db2.gz YWLODZUOVVEWMX-UHFFFAOYSA-N 1 1 255.321 2.575 20 30 CFEDMO Cc1ccc(OC(F)F)c(C=NNc2cc[nH+]cc2)c1 ZINC000779809662 628409372 /nfs/dbraw/zinc/40/93/72/628409372.db2.gz RQLHJEUQFDXYEF-UHFFFAOYSA-N 1 1 277.274 2.859 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1ccncc1 ZINC000779812587 628409759 /nfs/dbraw/zinc/40/97/59/628409759.db2.gz SQWVVMFQFOMNAI-HNNXBMFYSA-N 1 1 294.402 2.813 20 30 CFEDMO CCCCc1nc(Cl)c(C=NNc2cc[nH+]cc2)[nH]1 ZINC000779812321 628409889 /nfs/dbraw/zinc/40/98/89/628409889.db2.gz RIYQAFVPOQSQEW-UHFFFAOYSA-N 1 1 277.759 2.669 20 30 CFEDMO C#C[C@](C)(CC)[NH2+][C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000852100625 634654954 /nfs/dbraw/zinc/65/49/54/634654954.db2.gz YUUZIOLLOHWXHL-FUHWJXTLSA-N 1 1 286.419 2.988 20 30 CFEDMO C#CCCCCCC(=O)OCCCn1cc[nH+]c1C ZINC000780254524 628446228 /nfs/dbraw/zinc/44/62/28/628446228.db2.gz AYPIWPBKKNTRJO-UHFFFAOYSA-N 1 1 262.353 2.709 20 30 CFEDMO C#CCCCCCC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000780372055 628458998 /nfs/dbraw/zinc/45/89/98/628458998.db2.gz MBUAXVKCUQDIAP-HNNXBMFYSA-N 1 1 264.413 2.561 20 30 CFEDMO C#CCCCCCC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000780400910 628462004 /nfs/dbraw/zinc/46/20/04/628462004.db2.gz REYKLOKQJPSLHK-HOTGVXAUSA-N 1 1 278.440 2.807 20 30 CFEDMO C#CCCCCCC(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000780594598 628481357 /nfs/dbraw/zinc/48/13/57/628481357.db2.gz TZDPXBKZZBFUJQ-MRXNPFEDSA-N 1 1 278.440 2.760 20 30 CFEDMO C#CCCCCCC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000780725820 628489380 /nfs/dbraw/zinc/48/93/80/628489380.db2.gz VVFRVBWSDMVBFN-HZPDHXFCSA-N 1 1 278.440 2.901 20 30 CFEDMO C=C(Cl)CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781400378 628546021 /nfs/dbraw/zinc/54/60/21/628546021.db2.gz IPRKEEHBZQUCKY-QWHCGFSZSA-N 1 1 299.846 2.691 20 30 CFEDMO C#CCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC000781987908 628595483 /nfs/dbraw/zinc/59/54/83/628595483.db2.gz AWXKTNXHRHFORA-CQSZACIVSA-N 1 1 280.412 2.587 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000782227636 628617346 /nfs/dbraw/zinc/61/73/46/628617346.db2.gz OMWSUKSYSRLSTL-UHFFFAOYSA-N 1 1 290.710 2.901 20 30 CFEDMO CC(=[NH+]NCCN1CCCCC1)c1ccc(N)cc1Cl ZINC000782901831 628661955 /nfs/dbraw/zinc/66/19/55/628661955.db2.gz QVLGBEDNADLPHW-UHFFFAOYSA-N 1 1 294.830 2.722 20 30 CFEDMO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cn1 ZINC000783294366 628698370 /nfs/dbraw/zinc/69/83/70/628698370.db2.gz OODUHYZSJPOCPF-MRXNPFEDSA-N 1 1 284.338 2.974 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@@H+](C1CC1)C1(CO)CCC1 ZINC000852158050 634675729 /nfs/dbraw/zinc/67/57/29/634675729.db2.gz AGCBADFFTQKGFD-UHFFFAOYSA-N 1 1 274.339 2.577 20 30 CFEDMO COc1ccc(C(N)=[NH+]OCCC(C)(C)C)cc1 ZINC000783554225 628720016 /nfs/dbraw/zinc/72/00/16/628720016.db2.gz XWKIWGKBWXDXHY-UHFFFAOYSA-N 1 1 250.342 2.768 20 30 CFEDMO C#CCCOc1ccc(C[N@H+]2CCOCC3(CC3)C2)cc1 ZINC000783600442 628726030 /nfs/dbraw/zinc/72/60/30/628726030.db2.gz ZJNZGUNEHPBYFO-UHFFFAOYSA-N 1 1 285.387 2.701 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCO1 ZINC000783678387 628734241 /nfs/dbraw/zinc/73/42/41/628734241.db2.gz FDLAYKMQIWQJKW-GXTWGEPZSA-N 1 1 294.738 2.519 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)cc1 ZINC000783727813 628738206 /nfs/dbraw/zinc/73/82/06/628738206.db2.gz FMQYNUKZNYWWKF-CZUORRHYSA-N 1 1 288.391 2.570 20 30 CFEDMO C=CCCN(OCc1ccccc1)C(=O)C[N@H+](C)CCC ZINC000783873143 628752557 /nfs/dbraw/zinc/75/25/57/628752557.db2.gz JBDBXBJSHZHGDN-UHFFFAOYSA-N 1 1 290.407 2.865 20 30 CFEDMO C[C@@H]1CC(N=Nc2ccc(C#N)c(Cl)c2)C[N@H+]1C ZINC000783880793 628753000 /nfs/dbraw/zinc/75/30/00/628753000.db2.gz MXCICHARQSZDDQ-SECBINFHSA-N 1 1 262.744 2.704 20 30 CFEDMO C=CC[N@@H+](CN1C[C@@H](c2ccc(C)cc2)CC1=O)C1CC1 ZINC000783993752 628760773 /nfs/dbraw/zinc/76/07/73/628760773.db2.gz OHACKNPARAAHMQ-INIZCTEOSA-N 1 1 284.403 2.919 20 30 CFEDMO C=CC[N@H+](CN1C[C@@H](c2ccc(C)cc2)CC1=O)C1CC1 ZINC000783993752 628760775 /nfs/dbraw/zinc/76/07/75/628760775.db2.gz OHACKNPARAAHMQ-INIZCTEOSA-N 1 1 284.403 2.919 20 30 CFEDMO C#CCOCC[N@@H+]1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000852182595 634682619 /nfs/dbraw/zinc/68/26/19/634682619.db2.gz ZAPGOIQRRPAORA-OAHLLOKOSA-N 1 1 279.330 2.622 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOC(F)F ZINC000852192975 634685134 /nfs/dbraw/zinc/68/51/34/634685134.db2.gz WJUARSYEGGPUOF-JTQLQIEISA-N 1 1 254.280 2.790 20 30 CFEDMO C[N@@H+](CCc1ccc(C#N)cc1)C[C@](C)(O)c1ccccc1 ZINC000852192507 634685275 /nfs/dbraw/zinc/68/52/75/634685275.db2.gz RVGDFXHLXRVXJF-IBGZPJMESA-N 1 1 294.398 2.940 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H]1COC(=O)N(C)CC ZINC000805761145 628818352 /nfs/dbraw/zinc/81/83/52/628818352.db2.gz PWOFBMKTNFSMDS-ZDUSSCGKSA-N 1 1 254.374 2.505 20 30 CFEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CC=CCC1 ZINC000784388897 628813449 /nfs/dbraw/zinc/81/34/49/628813449.db2.gz AUFMAJVMINNJDN-RDJZCZTQSA-N 1 1 270.376 2.880 20 30 CFEDMO C#CCOCC[N@@H+]1CCCC[C@@H]1Cc1ccc(OC)cc1 ZINC000852210974 634690266 /nfs/dbraw/zinc/69/02/66/634690266.db2.gz CXTOEVYFFRIINF-QGZVFWFLSA-N 1 1 287.403 2.742 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cnc(-c2ccco2)s1)[C@@H]1CCCO1 ZINC000785513991 628890631 /nfs/dbraw/zinc/89/06/31/628890631.db2.gz QMCQNXDUGWHISA-OLZOCXBDSA-N 1 1 288.372 2.674 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2sccc2Cl)nc1 ZINC000785516579 628891343 /nfs/dbraw/zinc/89/13/43/628891343.db2.gz BJALBFCKEAKVNV-UHFFFAOYSA-N 1 1 263.753 2.958 20 30 CFEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000785541658 628892765 /nfs/dbraw/zinc/89/27/65/628892765.db2.gz UKDZKJDPDXVQCD-CPUCHLNUSA-N 1 1 288.391 2.570 20 30 CFEDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCc1ccc(F)cc1C#N ZINC000785728166 628907667 /nfs/dbraw/zinc/90/76/67/628907667.db2.gz FGCHWTNPTAOMGD-RYUDHWBXSA-N 1 1 290.338 2.613 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCc1cc(C#N)ccc1F ZINC000785739289 628909757 /nfs/dbraw/zinc/90/97/57/628909757.db2.gz XKMRVJOKFJUFPG-TXEJJXNPSA-N 1 1 290.338 2.613 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCc1cc(C#N)ccc1F ZINC000785739289 628909760 /nfs/dbraw/zinc/90/97/60/628909760.db2.gz XKMRVJOKFJUFPG-TXEJJXNPSA-N 1 1 290.338 2.613 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCc1cc(F)ccc1C#N ZINC000785739356 628909922 /nfs/dbraw/zinc/90/99/22/628909922.db2.gz XVSANTSRPSEXNU-TXEJJXNPSA-N 1 1 290.338 2.613 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCc1cc(F)ccc1C#N ZINC000785739356 628909924 /nfs/dbraw/zinc/90/99/24/628909924.db2.gz 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/nfs/dbraw/zinc/88/20/02/629882002.db2.gz MXVUWIRKUIMAHB-JTQLQIEISA-N 1 1 298.736 2.520 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000796140747 629882005 /nfs/dbraw/zinc/88/20/05/629882005.db2.gz MXVUWIRKUIMAHB-JTQLQIEISA-N 1 1 298.736 2.520 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1COC(=O)NCCCC ZINC000796164420 629884863 /nfs/dbraw/zinc/88/48/63/629884863.db2.gz MTKPNRBGLHPSHR-ZDUSSCGKSA-N 1 1 254.374 2.553 20 30 CFEDMO CCCCCCCCC[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000796581455 629937774 /nfs/dbraw/zinc/93/77/74/629937774.db2.gz QHOXAINCLDRCEL-HNNXBMFYSA-N 1 1 254.418 2.934 20 30 CFEDMO C#CC[N@H+](Cc1ccccc1)Cc1ccc(OC)nc1 ZINC000796630963 629942885 /nfs/dbraw/zinc/94/28/85/629942885.db2.gz BFTWDIIUOBLBMZ-UHFFFAOYSA-N 1 1 266.344 2.726 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)Cc1ccc(OC)nc1 ZINC000796630963 629942887 /nfs/dbraw/zinc/94/28/87/629942887.db2.gz BFTWDIIUOBLBMZ-UHFFFAOYSA-N 1 1 266.344 2.726 20 30 CFEDMO C=CC[N@H+](C[C@H]1CC(C(=O)OC)=C(C)O1)C(C)(C)C ZINC000852554352 634778101 /nfs/dbraw/zinc/77/81/01/634778101.db2.gz KBVAVJIJYOFEJV-GFCCVEGCSA-N 1 1 267.369 2.509 20 30 CFEDMO C#CCC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000797530216 630078123 /nfs/dbraw/zinc/07/81/23/630078123.db2.gz CFZUOGQTQGRXGG-UHFFFAOYSA-N 1 1 265.360 2.545 20 30 CFEDMO CN(CCC[N@@H+]1CCC[C@@](C)(C#N)C1)C(=O)OC(C)(C)C ZINC000797981428 630137225 /nfs/dbraw/zinc/13/72/25/630137225.db2.gz JQTGXDQMCFDJQR-INIZCTEOSA-N 1 1 295.427 2.869 20 30 CFEDMO CN(CCC[N@H+]1CCC[C@@](C)(C#N)C1)C(=O)OC(C)(C)C ZINC000797981428 630137227 /nfs/dbraw/zinc/13/72/27/630137227.db2.gz JQTGXDQMCFDJQR-INIZCTEOSA-N 1 1 295.427 2.869 20 30 CFEDMO N#Cc1ccc(C[NH2+][C@H](c2cncc(F)c2)C2CC2)nc1 ZINC000798931389 630262601 /nfs/dbraw/zinc/26/26/01/630262601.db2.gz DSTCXVLHXHPZNM-INIZCTEOSA-N 1 1 282.322 2.728 20 30 CFEDMO C#C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(C)C ZINC000799046303 630269883 /nfs/dbraw/zinc/26/98/83/630269883.db2.gz HMHYUWMZQAFSIG-MSOLQXFVSA-N 1 1 298.430 2.815 20 30 CFEDMO Cc1noc(C)c1C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000799110921 630275846 /nfs/dbraw/zinc/27/58/46/630275846.db2.gz JQNTUTQOWJNNSM-UHFFFAOYSA-N 1 1 291.395 2.824 20 30 CFEDMO CCCCCCCC[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799179679 630284251 /nfs/dbraw/zinc/28/42/51/630284251.db2.gz UDFFTBNYZXTDBO-KGLIPLIRSA-N 1 1 268.401 2.777 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799190146 630285982 /nfs/dbraw/zinc/28/59/82/630285982.db2.gz KYHRKNXTTLFVID-OAHLLOKOSA-N 1 1 293.370 2.951 20 30 CFEDMO CC[C@H](O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000799303098 630294922 /nfs/dbraw/zinc/29/49/22/630294922.db2.gz BEGOSZGAZVWFRQ-JYJNAYRXSA-N 1 1 258.365 2.529 20 30 CFEDMO O=C1C=C([NH2+]Nc2cccc3cnccc32)[C@@H]2CCCCN12 ZINC000799478306 630313014 /nfs/dbraw/zinc/31/30/14/630313014.db2.gz ATQKUSWUMQDODP-INIZCTEOSA-N 1 1 294.358 2.788 20 30 CFEDMO C[C@H]1CC(C)(C)CCC1=NNCCC[NH+]1CCOCC1 ZINC000799490297 630314614 /nfs/dbraw/zinc/31/46/14/630314614.db2.gz YAHXMYYTTKOVDG-AWEZNQCLSA-N 1 1 281.444 2.501 20 30 CFEDMO Cc1ccc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1C#N ZINC000799728637 630340649 /nfs/dbraw/zinc/34/06/49/630340649.db2.gz DBTMUVTWNADBEI-UHFFFAOYSA-N 1 1 299.418 2.719 20 30 CFEDMO Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1C#N ZINC000799729523 630340779 /nfs/dbraw/zinc/34/07/79/630340779.db2.gz RKSXYXREBKXJPZ-QGZVFWFLSA-N 1 1 297.402 2.613 20 30 CFEDMO CC#CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000801107527 630428902 /nfs/dbraw/zinc/42/89/02/630428902.db2.gz KFXZTHNYNFTDMZ-OAHLLOKOSA-N 1 1 290.794 2.616 20 30 CFEDMO C=CC1CC[NH+](Cc2c(Cl)ncnc2N(C)C)CC1 ZINC000801517276 630452707 /nfs/dbraw/zinc/45/27/07/630452707.db2.gz LHKDQNXYNPTHMW-UHFFFAOYSA-N 1 1 280.803 2.594 20 30 CFEDMO COc1ccc(Cl)cc1C[N@@H+](C)CCO[C@H](C)C#N ZINC000801910192 630484905 /nfs/dbraw/zinc/48/49/05/630484905.db2.gz NOFLLLGGJHMJQB-LLVKDONJSA-N 1 1 282.771 2.709 20 30 CFEDMO COCC[N@@H+](CCO[C@@H](C)C#N)[C@@H](C)c1ccccc1 ZINC000801913756 630485718 /nfs/dbraw/zinc/48/57/18/630485718.db2.gz LONRHTXIAWCIRG-GJZGRUSLSA-N 1 1 276.380 2.625 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000801926304 630489434 /nfs/dbraw/zinc/48/94/34/630489434.db2.gz VSCLFKLHMRVLRT-DJIMGWMZSA-N 1 1 283.375 2.687 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000801926304 630489436 /nfs/dbraw/zinc/48/94/36/630489436.db2.gz VSCLFKLHMRVLRT-DJIMGWMZSA-N 1 1 283.375 2.687 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000801924311 630489592 /nfs/dbraw/zinc/48/95/92/630489592.db2.gz UIZYKEUMUQMZBA-WMLDXEAASA-N 1 1 287.407 2.818 20 30 CFEDMO C[C@@H](C#N)OCC[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000801930623 630489952 /nfs/dbraw/zinc/48/99/52/630489952.db2.gz FLOSVLYXRQSMCO-GXTWGEPZSA-N 1 1 287.388 2.751 20 30 CFEDMO CC[C@H]1Cc2ccccc2C[N@H+]1CCO[C@H](C)C#N ZINC000801941864 630493067 /nfs/dbraw/zinc/49/30/67/630493067.db2.gz ZSVDTCDAWPTHNQ-CJNGLKHVSA-N 1 1 258.365 2.752 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000801940506 630493269 /nfs/dbraw/zinc/49/32/69/630493269.db2.gz NOLFJHHMZKPBAV-CQSZACIVSA-N 1 1 281.359 2.576 20 30 CFEDMO CC[C@](C)(O)C[N@@H+](CCO[C@H](C)C#N)Cc1ccccc1 ZINC000801946255 630493345 /nfs/dbraw/zinc/49/33/45/630493345.db2.gz HCQNNBQOKFTWES-WBVHZDCISA-N 1 1 290.407 2.578 20 30 CFEDMO CCCCCCCC(=O)O[C@@H]1CC[N@H+](CCF)C1 ZINC000802234451 630516241 /nfs/dbraw/zinc/51/62/41/630516241.db2.gz OMXADTJLDHGARC-CYBMUJFWSA-N 1 1 259.365 2.934 20 30 CFEDMO CCCCCCCC(=O)O[C@@H]1CC[N@@H+](CCF)C1 ZINC000802234451 630516243 /nfs/dbraw/zinc/51/62/43/630516243.db2.gz OMXADTJLDHGARC-CYBMUJFWSA-N 1 1 259.365 2.934 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1ccc(Cl)c(OC)c1 ZINC000852748851 634822896 /nfs/dbraw/zinc/82/28/96/634822896.db2.gz IWBOUBCSYIWZDW-UHFFFAOYSA-N 1 1 281.783 2.820 20 30 CFEDMO C=CCN1CCN(C[N@@H+]2CCC[C@H]2c2ccsc2)C1=O ZINC000839963299 630526493 /nfs/dbraw/zinc/52/64/93/630526493.db2.gz FLZAZLPVGWYHLK-AWEZNQCLSA-N 1 1 291.420 2.766 20 30 CFEDMO C=CCN1CCN(C[N@H+]2CCC[C@H]2c2ccsc2)C1=O ZINC000839963299 630526495 /nfs/dbraw/zinc/52/64/95/630526495.db2.gz FLZAZLPVGWYHLK-AWEZNQCLSA-N 1 1 291.420 2.766 20 30 CFEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1CCC(C)(C)C1=O ZINC000839979135 630548349 /nfs/dbraw/zinc/54/83/49/630548349.db2.gz ZAOJEENHBKDYOK-UHFFFAOYSA-N 1 1 299.418 2.985 20 30 CFEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1CCC(C)(C)C1=O ZINC000839979135 630548351 /nfs/dbraw/zinc/54/83/51/630548351.db2.gz ZAOJEENHBKDYOK-UHFFFAOYSA-N 1 1 299.418 2.985 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1ccc(OC)c(Cl)c1 ZINC000852751336 634824828 /nfs/dbraw/zinc/82/48/28/634824828.db2.gz YHBMDTRDAXXEAE-UHFFFAOYSA-N 1 1 281.783 2.820 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1ccc(OCC)cc1 ZINC000852752004 634825834 /nfs/dbraw/zinc/82/58/34/634825834.db2.gz RDKSRYWMXGCWPF-UHFFFAOYSA-N 1 1 261.365 2.557 20 30 CFEDMO C=CCCCCC[N@H+](C)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000840005004 630628272 /nfs/dbraw/zinc/62/82/72/630628272.db2.gz BIJSCRXDFMEHNL-GJZGRUSLSA-N 1 1 264.413 2.881 20 30 CFEDMO CC[C@](C)(C#N)C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000803785740 630644447 /nfs/dbraw/zinc/64/44/47/630644447.db2.gz SIGVNMMTVZHDMO-MRXNPFEDSA-N 1 1 292.354 2.741 20 30 CFEDMO CC[N@@H+](CCNc1nc(Cl)c(C#N)s1)C(C)C ZINC000804410325 630680327 /nfs/dbraw/zinc/68/03/27/630680327.db2.gz DSCNLSBUUZXWEI-UHFFFAOYSA-N 1 1 272.805 2.810 20 30 CFEDMO C#CCCNc1cc(NCCC#C)c2ccncc2[nH+]1 ZINC000804456992 630683516 /nfs/dbraw/zinc/68/35/16/630683516.db2.gz MBKJDQOZSNNGLM-UHFFFAOYSA-N 1 1 264.332 2.500 20 30 CFEDMO C=CCN1CCN(C[N@H+]2CCC[C@H](c3ccccc3)C2)C1=O ZINC000840077238 630839892 /nfs/dbraw/zinc/83/98/92/630839892.db2.gz QUGHGPSSLFONDY-KRWDZBQOSA-N 1 1 299.418 2.747 20 30 CFEDMO C#C[C@H](NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000807879352 630917114 /nfs/dbraw/zinc/91/71/14/630917114.db2.gz ASFOIQYUXPEGCJ-PBHICJAKSA-N 1 1 298.430 2.597 20 30 CFEDMO C#C[C@H](NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000807879352 630917117 /nfs/dbraw/zinc/91/71/17/630917117.db2.gz ASFOIQYUXPEGCJ-PBHICJAKSA-N 1 1 298.430 2.597 20 30 CFEDMO C=CCCCCC[N@H+](C)CN1CC(C)(C)CC1=O ZINC000808163264 630960645 /nfs/dbraw/zinc/96/06/45/630960645.db2.gz XETMWZMMQIZKGK-UHFFFAOYSA-N 1 1 252.402 2.881 20 30 CFEDMO C#C[C@H](NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)C(C)(C)C ZINC000808219154 630968432 /nfs/dbraw/zinc/96/84/32/630968432.db2.gz RYXPNIKHHKWRBZ-ZNMIVQPWSA-N 1 1 293.455 2.596 20 30 CFEDMO CC(C)CC1(C)CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000808231574 630969866 /nfs/dbraw/zinc/96/98/66/630969866.db2.gz KLDABSDEAZWPGY-UHFFFAOYSA-N 1 1 287.407 2.826 20 30 CFEDMO C#CCOc1ccc(CN[C@@H](C)C[N@@H+](C)CCCC)cc1 ZINC000808454400 630994973 /nfs/dbraw/zinc/99/49/73/630994973.db2.gz IVZCCOGBDIZAKQ-INIZCTEOSA-N 1 1 288.435 2.909 20 30 CFEDMO C#CCOc1ccc(CN[C@@H](C)C[N@H+](C)CCCC)cc1 ZINC000808454400 630994974 /nfs/dbraw/zinc/99/49/74/630994974.db2.gz IVZCCOGBDIZAKQ-INIZCTEOSA-N 1 1 288.435 2.909 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)C#CC(C)(C)C ZINC000837344273 631007746 /nfs/dbraw/zinc/00/77/46/631007746.db2.gz FBACLCSTSZKDJG-HNNXBMFYSA-N 1 1 278.440 2.807 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)Cc2cccc(C(C)C)c2)CC1 ZINC000837382379 631017323 /nfs/dbraw/zinc/01/73/23/631017323.db2.gz VMHICRONEVHDRR-UHFFFAOYSA-N 1 1 298.430 2.520 20 30 CFEDMO C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000837459113 631035456 /nfs/dbraw/zinc/03/54/56/631035456.db2.gz ZPWLJTDXCLKCSS-YJBOKZPZSA-N 1 1 296.414 2.569 20 30 CFEDMO C=CCCO[C@@H](C)C(=O)OC[C@H]1CCCC[N@@H+]1C(C)C ZINC000837473063 631041490 /nfs/dbraw/zinc/04/14/90/631041490.db2.gz BOZPOSBUOZLJFX-LSDHHAIUSA-N 1 1 283.412 2.774 20 30 CFEDMO C=CCCO[C@H](C)C(=O)OC[C@@H]1CCCC[N@@H+]1C(C)C ZINC000837473060 631041623 /nfs/dbraw/zinc/04/16/23/631041623.db2.gz BOZPOSBUOZLJFX-CABCVRRESA-N 1 1 283.412 2.774 20 30 CFEDMO CCCCCCCCC[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000808774364 631045796 /nfs/dbraw/zinc/04/57/96/631045796.db2.gz XHZWJMGMXSPAPO-AWEZNQCLSA-N 1 1 254.418 2.934 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000808793176 631049079 /nfs/dbraw/zinc/04/90/79/631049079.db2.gz XASMKJFDSAPHRJ-UTUOFQBUSA-N 1 1 278.318 2.968 20 30 CFEDMO C[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)[C@H]1c1ccccc1 ZINC000837501240 631049390 /nfs/dbraw/zinc/04/93/90/631049390.db2.gz LUYRNVGULFDHED-NVXWUHKLSA-N 1 1 284.403 2.598 20 30 CFEDMO C[C@]1(CNC(=O)C#CC2CC2)CCC[N@H+]1Cc1ccccc1 ZINC000837552219 631063515 /nfs/dbraw/zinc/06/35/15/631063515.db2.gz LWUSUOAHDMECIL-LJQANCHMSA-N 1 1 296.414 2.571 20 30 CFEDMO C[NH+](C)Cc1cc(NC(=O)C#CC2CC2)ccc1Cl ZINC000837598205 631081623 /nfs/dbraw/zinc/08/16/23/631081623.db2.gz NGFSLXMEIJVCQL-UHFFFAOYSA-N 1 1 276.767 2.754 20 30 CFEDMO CCCCCCCC(=O)NC(C)(C)C[NH+]1CCOCC1 ZINC000840526400 631162128 /nfs/dbraw/zinc/16/21/28/631162128.db2.gz UWPDSUALKPTXGH-UHFFFAOYSA-N 1 1 284.444 2.574 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCCCC)C2)cc1 ZINC000809558781 631234695 /nfs/dbraw/zinc/23/46/95/631234695.db2.gz BJBJGJKQTLNWLX-SFHVURJKSA-N 1 1 298.430 2.796 20 30 CFEDMO CC[N@@H+](CCC#N)CCCOc1ccc(C#N)cc1 ZINC000042450497 649999112 /nfs/dbraw/zinc/99/91/12/649999112.db2.gz LKXMVVIONAWVLO-UHFFFAOYSA-N 1 1 257.337 2.563 20 30 CFEDMO CC[N@H+](CCC#N)CCCOc1ccc(C#N)cc1 ZINC000042450497 649999113 /nfs/dbraw/zinc/99/91/13/649999113.db2.gz LKXMVVIONAWVLO-UHFFFAOYSA-N 1 1 257.337 2.563 20 30 CFEDMO N#CC[C@@H](O)C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000809572840 631236953 /nfs/dbraw/zinc/23/69/53/631236953.db2.gz UJMPRFFBTRXQCF-MRXNPFEDSA-N 1 1 258.365 2.563 20 30 CFEDMO Cc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)CC#N)o1 ZINC000809574420 631237768 /nfs/dbraw/zinc/23/77/68/631237768.db2.gz KRGVBHIEZVHMET-KGLIPLIRSA-N 1 1 262.353 2.780 20 30 CFEDMO C[N@@H+](C[C@H](O)CC#N)C1c2ccccc2-c2ccccc21 ZINC000809575713 631238520 /nfs/dbraw/zinc/23/85/20/631238520.db2.gz BVQGUOUFBQWTLL-CYBMUJFWSA-N 1 1 278.355 2.963 20 30 CFEDMO C#Cc1ccc(C[N@@H+](CCO)CCc2ccccc2)cc1 ZINC000809575406 631239131 /nfs/dbraw/zinc/23/91/31/631239131.db2.gz BSEBMBNXAHTRTD-UHFFFAOYSA-N 1 1 279.383 2.705 20 30 CFEDMO C#Cc1ccc(CN2C[C@@H](C)[N@@H+](CC)C[C@H]2C)cc1 ZINC000809582506 631241357 /nfs/dbraw/zinc/24/13/57/631241357.db2.gz XQYKNVMWYVAUKL-HUUCEWRRSA-N 1 1 256.393 2.582 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](C)N(CC)C[C@H]2C)cc1 ZINC000809582506 631241359 /nfs/dbraw/zinc/24/13/59/631241359.db2.gz XQYKNVMWYVAUKL-HUUCEWRRSA-N 1 1 256.393 2.582 20 30 CFEDMO C#Cc1ccc(C[N@H+]2C[C@@H](C)N(CC)C[C@H]2C)cc1 ZINC000809582506 631241364 /nfs/dbraw/zinc/24/13/64/631241364.db2.gz XQYKNVMWYVAUKL-HUUCEWRRSA-N 1 1 256.393 2.582 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000809595798 631243201 /nfs/dbraw/zinc/24/32/01/631243201.db2.gz QOCJRPFXZUDIFC-ROUUACIJSA-N 1 1 269.388 2.916 20 30 CFEDMO C#Cc1ccc(C[NH2+][C@H](C)c2nnc3ccccn32)cc1 ZINC000809602991 631244151 /nfs/dbraw/zinc/24/41/51/631244151.db2.gz GDSXLRCGTTUYOT-CYBMUJFWSA-N 1 1 276.343 2.561 20 30 CFEDMO C#Cc1ccc(CNC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000809610752 631246043 /nfs/dbraw/zinc/24/60/43/631246043.db2.gz CNFNSTLNBLHQAC-MRXNPFEDSA-N 1 1 270.420 2.878 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCCCC[C@H]2CCO)cc1 ZINC000809664686 631259714 /nfs/dbraw/zinc/25/97/14/631259714.db2.gz KZANJLSFLGQXHR-KRWDZBQOSA-N 1 1 257.377 2.795 20 30 CFEDMO C#C[C@@H](C)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000809683757 631260429 /nfs/dbraw/zinc/26/04/29/631260429.db2.gz NFCPSIRPYMBTFN-OAHLLOKOSA-N 1 1 258.409 2.756 20 30 CFEDMO C#C[C@@H](C)[NH2+]CC(C)(C)CN(C)Cc1ccccc1 ZINC000809683757 631260435 /nfs/dbraw/zinc/26/04/35/631260435.db2.gz NFCPSIRPYMBTFN-OAHLLOKOSA-N 1 1 258.409 2.756 20 30 CFEDMO C#C[C@H](C)NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000809683756 631260886 /nfs/dbraw/zinc/26/08/86/631260886.db2.gz NFCPSIRPYMBTFN-HNNXBMFYSA-N 1 1 258.409 2.756 20 30 CFEDMO C#C[C@H](C)[NH2+]CC(C)(C)CN(C)Cc1ccccc1 ZINC000809683756 631260891 /nfs/dbraw/zinc/26/08/91/631260891.db2.gz NFCPSIRPYMBTFN-HNNXBMFYSA-N 1 1 258.409 2.756 20 30 CFEDMO C#C[C@@H](C)[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000809683686 631261252 /nfs/dbraw/zinc/26/12/52/631261252.db2.gz KKKDKQZNZNGARO-MRVPVSSYSA-N 1 1 268.147 2.752 20 30 CFEDMO C#CC[N@@H+](Cc1cn(-c2cccc(F)c2)nc1C)C1CC1 ZINC000840939442 631271480 /nfs/dbraw/zinc/27/14/80/631271480.db2.gz MWAKCPBGIRHCTF-UHFFFAOYSA-N 1 1 283.350 2.917 20 30 CFEDMO C#CC[N@H+](Cc1cn(-c2cccc(F)c2)nc1C)C1CC1 ZINC000840939442 631271484 /nfs/dbraw/zinc/27/14/84/631271484.db2.gz MWAKCPBGIRHCTF-UHFFFAOYSA-N 1 1 283.350 2.917 20 30 CFEDMO C#CCOc1ccc(C[N@@H+](CCCC)CCCO)cc1 ZINC000809752550 631281368 /nfs/dbraw/zinc/28/13/68/631281368.db2.gz RQXQUJRMUIHYRN-UHFFFAOYSA-N 1 1 275.392 2.683 20 30 CFEDMO C#CCOc1ccc(CN[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000810163599 631337966 /nfs/dbraw/zinc/33/79/66/631337966.db2.gz ZUMXIODCABZVIA-HNNXBMFYSA-N 1 1 274.408 2.517 20 30 CFEDMO C#CCOc1ccc(CN[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000810163599 631337972 /nfs/dbraw/zinc/33/79/72/631337972.db2.gz ZUMXIODCABZVIA-HNNXBMFYSA-N 1 1 274.408 2.517 20 30 CFEDMO C[C@@H]1CCC[N@@H+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000810220562 631346064 /nfs/dbraw/zinc/34/60/64/631346064.db2.gz ZWXIRKPDIQEEAW-DYVFJYSZSA-N 1 1 269.392 2.619 20 30 CFEDMO C[C@@H]1CCC[N@H+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000810220562 631346068 /nfs/dbraw/zinc/34/60/68/631346068.db2.gz ZWXIRKPDIQEEAW-DYVFJYSZSA-N 1 1 269.392 2.619 20 30 CFEDMO C[N@@H+](CCOc1ccccc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000841493134 631417293 /nfs/dbraw/zinc/41/72/93/631417293.db2.gz VMJKNPDLIFYOFY-GOSISDBHSA-N 1 1 296.370 2.602 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)OCC2(C#N)CCCC2)C1 ZINC000810660225 631420822 /nfs/dbraw/zinc/42/08/22/631420822.db2.gz LNYIFKVLZTWGFP-INIZCTEOSA-N 1 1 296.386 2.826 20 30 CFEDMO Cc1cc(N(C)C)ccc1C=[NH+]NCC(F)(F)F ZINC000841630972 631437029 /nfs/dbraw/zinc/43/70/29/631437029.db2.gz AXFCLMQUAQGUGL-UHFFFAOYSA-N 1 1 259.275 2.547 20 30 CFEDMO C[C@H](O)CN(C)N=C1CCCC[C@@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000841652029 631443687 /nfs/dbraw/zinc/44/36/87/631443687.db2.gz MHHXWOMGDWXOII-IVSAIRAKSA-N 1 1 295.471 2.576 20 30 CFEDMO CC(CC(C)(C)c1c[nH]c2ccccc21)N=NC1=[NH+]CCN1 ZINC000841658666 631446307 /nfs/dbraw/zinc/44/63/07/631446307.db2.gz CYACUISKFUGHIF-UHFFFAOYSA-N 1 1 297.406 2.760 20 30 CFEDMO N#CCCCCCC(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810838786 631454056 /nfs/dbraw/zinc/45/40/56/631454056.db2.gz RYZWCADKILKOST-KGLIPLIRSA-N 1 1 264.369 2.630 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1sccc1C#N ZINC000840218770 631489579 /nfs/dbraw/zinc/48/95/79/631489579.db2.gz JRIGCUZBGSFLHT-LBPRGKRZSA-N 1 1 278.377 2.651 20 30 CFEDMO CCn1nc(C)c(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000841894755 631490408 /nfs/dbraw/zinc/49/04/08/631490408.db2.gz TZCODPCVVYUUAJ-INIZCTEOSA-N 1 1 295.390 2.645 20 30 CFEDMO C[C@H](c1ccccn1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842153718 631555077 /nfs/dbraw/zinc/55/50/77/631555077.db2.gz OUACXFFVNOOCPQ-CXAGYDPISA-N 1 1 281.359 2.680 20 30 CFEDMO Cc1cc(N=NC2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ncn1 ZINC000811642355 631590834 /nfs/dbraw/zinc/59/08/34/631590834.db2.gz NTWVXAQWOQRPSS-CQSZACIVSA-N 1 1 295.390 2.847 20 30 CFEDMO C[C@H]1C(N=Nc2cccnn2)CC[N@H+]1Cc1ccccc1 ZINC000811643845 631590936 /nfs/dbraw/zinc/59/09/36/631590936.db2.gz NJYNWKOEQVSBQT-ZDUSSCGKSA-N 1 1 281.363 2.539 20 30 CFEDMO C=C(C)CNN=C1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000811650944 631593555 /nfs/dbraw/zinc/59/35/55/631593555.db2.gz XVYLASVQMZCAGC-CQSZACIVSA-N 1 1 257.381 2.803 20 30 CFEDMO C=C(C)CNN=C1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000811650944 631593557 /nfs/dbraw/zinc/59/35/57/631593557.db2.gz XVYLASVQMZCAGC-CQSZACIVSA-N 1 1 257.381 2.803 20 30 CFEDMO CC(=[NH+]NC[C@H]1CCSC1)c1ccc(N)cc1Cl ZINC000811661392 631599445 /nfs/dbraw/zinc/59/94/45/631599445.db2.gz KIVPESPGADUAEO-SNVBAGLBSA-N 1 1 283.828 2.989 20 30 CFEDMO C[NH+]1CCN(c2ccc(C=NOC/C=C/Cl)cc2)CC1 ZINC000811669850 631603700 /nfs/dbraw/zinc/60/37/00/631603700.db2.gz KFFFSVNYLJGMRM-XQLIBSMOSA-N 1 1 293.798 2.541 20 30 CFEDMO Cc1cccc(C(C)C)c1N[NH+]=Cc1cnc(N)nc1 ZINC000812233038 631672746 /nfs/dbraw/zinc/67/27/46/631672746.db2.gz QKYCJRDTZCWOOB-UHFFFAOYSA-N 1 1 269.352 2.937 20 30 CFEDMO C#CCON=C1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000812233711 631672918 /nfs/dbraw/zinc/67/29/18/631672918.db2.gz BVGFSENUDZVZRM-CQSZACIVSA-N 1 1 256.349 2.677 20 30 CFEDMO N#CCC1CC[NH+](CN2C[C@H](C3CCCC3)CC2=O)CC1 ZINC000842600315 631676977 /nfs/dbraw/zinc/67/69/77/631676977.db2.gz IOSQNOSPXBZCMD-MRXNPFEDSA-N 1 1 289.423 2.608 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](CN2C[C@@H](C3CCCC3)CC2=O)C1 ZINC000842629137 631685185 /nfs/dbraw/zinc/68/51/85/631685185.db2.gz JVTSHUUQDPZBDI-RDJZCZTQSA-N 1 1 288.435 2.718 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cn2nccc2-c2cccnc2)C1 ZINC000842630049 631686155 /nfs/dbraw/zinc/68/61/55/631686155.db2.gz WFNMLXQMZAYCFJ-OAHLLOKOSA-N 1 1 280.375 2.638 20 30 CFEDMO C=CCN(C(=O)N[C@H](C)C[N@H+](C)CCCC)C(C)C ZINC000812506573 631728124 /nfs/dbraw/zinc/72/81/24/631728124.db2.gz RWEBMMJPOPHMJB-CQSZACIVSA-N 1 1 269.433 2.713 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H](COC(=O)c2cc(C#N)cs2)C1 ZINC000842828918 631754022 /nfs/dbraw/zinc/75/40/22/631754022.db2.gz CITOODHBRNVTFT-GFCCVEGCSA-N 1 1 292.404 2.897 20 30 CFEDMO C#CCCCCC(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000842831412 631755333 /nfs/dbraw/zinc/75/53/33/631755333.db2.gz SORVACAAQRLPDS-HNNXBMFYSA-N 1 1 265.397 2.844 20 30 CFEDMO C=CCOCCCC(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000842832989 631756384 /nfs/dbraw/zinc/75/63/84/631756384.db2.gz XDOSMJUFQJRXSC-OAHLLOKOSA-N 1 1 283.412 2.633 20 30 CFEDMO C#C[C@H](NC(=O)CCCn1cc[nH+]c1C)c1ccc(F)cc1 ZINC000812747511 631766426 /nfs/dbraw/zinc/76/64/26/631766426.db2.gz BUTHVFQAZDHSNI-INIZCTEOSA-N 1 1 299.349 2.602 20 30 CFEDMO C=CCN(C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC000812895608 631802935 /nfs/dbraw/zinc/80/29/35/631802935.db2.gz GMZNBCZOMICREB-OAHLLOKOSA-N 1 1 270.392 2.622 20 30 CFEDMO N#CCC[NH2+]C[C@@H](O)c1c(Cl)cccc1Cl ZINC000843082956 631829926 /nfs/dbraw/zinc/82/99/26/631829926.db2.gz FSZKJLVQBOYOMG-SNVBAGLBSA-N 1 1 259.136 2.530 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000843423315 631951663 /nfs/dbraw/zinc/95/16/63/631951663.db2.gz CFCQMPJDUYAYKP-ZDUSSCGKSA-N 1 1 287.359 2.659 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2OC)OCO3)C1 ZINC000843423919 631952972 /nfs/dbraw/zinc/95/29/72/631952972.db2.gz LQIGBMRJHBQTPM-CYBMUJFWSA-N 1 1 287.359 2.659 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000843424122 631953401 /nfs/dbraw/zinc/95/34/01/631953401.db2.gz OMENHMXOHQXNLX-HNNXBMFYSA-N 1 1 270.376 2.880 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000843423934 631953490 /nfs/dbraw/zinc/95/34/90/631953490.db2.gz LZPQQJSOLBBGKG-ZDUSSCGKSA-N 1 1 259.349 2.636 20 30 CFEDMO C#C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC000813778610 631958249 /nfs/dbraw/zinc/95/82/49/631958249.db2.gz ARDHYPSRWZRVID-HNNXBMFYSA-N 1 1 278.440 2.805 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000814178478 632025499 /nfs/dbraw/zinc/02/54/99/632025499.db2.gz RAAQAHHRGAGCFT-GOSISDBHSA-N 1 1 299.414 2.947 20 30 CFEDMO CCOCCC[N@H+]1CCC(=NOCCC2CC2)[C@H](C)C1 ZINC000814246531 632045286 /nfs/dbraw/zinc/04/52/86/632045286.db2.gz QNIPRLZQPZBKPC-CQSZACIVSA-N 1 1 282.428 2.928 20 30 CFEDMO CCOCCC[N@H+]1CCC(=NOCCC2CC2)[C@@H](C)C1 ZINC000814246530 632045731 /nfs/dbraw/zinc/04/57/31/632045731.db2.gz QNIPRLZQPZBKPC-AWEZNQCLSA-N 1 1 282.428 2.928 20 30 CFEDMO CCCN(C(=O)/C=C\c1ccccc1C#N)[C@@H]1CC[N@@H+](C)C1 ZINC000843991091 632089007 /nfs/dbraw/zinc/08/90/07/632089007.db2.gz IGNJTTVMYHTTDU-XZVRFQMRSA-N 1 1 297.402 2.514 20 30 CFEDMO C#CC[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000843999303 632091902 /nfs/dbraw/zinc/09/19/02/632091902.db2.gz MXBHUFBANZBPFA-NVXWUHKLSA-N 1 1 284.403 2.551 20 30 CFEDMO C#CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000844046710 632102760 /nfs/dbraw/zinc/10/27/60/632102760.db2.gz FQWPNOFVXGVMOH-QGZVFWFLSA-N 1 1 288.435 2.655 20 30 CFEDMO C#CC[C@@H]1CCCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000844147537 632127027 /nfs/dbraw/zinc/12/70/27/632127027.db2.gz DLHQNAINCZGMHK-HZPDHXFCSA-N 1 1 276.424 2.513 20 30 CFEDMO CC(N=Nc1ccnc(F)c1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814902756 632156486 /nfs/dbraw/zinc/15/64/86/632156486.db2.gz UJHNRHYRQKZMQL-UHFFFAOYSA-N 1 1 298.365 2.745 20 30 CFEDMO FC(F)(F)CN[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814904732 632157203 /nfs/dbraw/zinc/15/72/03/632157203.db2.gz WUOBDWJGZBIXBN-MRVPVSSYSA-N 1 1 269.270 2.846 20 30 CFEDMO C#CC[N@@H+](C)CCCNc1nccc2ccc(F)cc21 ZINC000814928220 632169461 /nfs/dbraw/zinc/16/94/61/632169461.db2.gz AVNZHRWBLMDPMC-UHFFFAOYSA-N 1 1 271.339 2.741 20 30 CFEDMO CC(C)CC(=O)CC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844368306 632182128 /nfs/dbraw/zinc/18/21/28/632182128.db2.gz JQKQMFZVUIKYMA-KRWDZBQOSA-N 1 1 288.391 2.529 20 30 CFEDMO C[N@@H+](CCCCCF)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372257 632183218 /nfs/dbraw/zinc/18/32/18/632183218.db2.gz XPSREYLYYXKSDB-OAHLLOKOSA-N 1 1 264.344 2.663 20 30 CFEDMO C[N@@H+](CCC(=O)C(C)(C)C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372108 632183348 /nfs/dbraw/zinc/18/33/48/632183348.db2.gz UXLUKGRBSPEOIO-OAHLLOKOSA-N 1 1 288.391 2.529 20 30 CFEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@@H]1C=CCCC1 ZINC000844370485 632183440 /nfs/dbraw/zinc/18/34/40/632183440.db2.gz RPGFBTDKXPEFJB-CVEARBPZSA-N 1 1 256.349 2.632 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844376147 632185400 /nfs/dbraw/zinc/18/54/00/632185400.db2.gz RWEQMKIKXJMNFG-HZPDHXFCSA-N 1 1 295.810 2.560 20 30 CFEDMO CCOc1ccc(N[NH2+]C2=CC(=O)N3CCCC[C@@H]23)cc1 ZINC000814984132 632185532 /nfs/dbraw/zinc/18/55/32/632185532.db2.gz KPQOAIOEHJSSIM-HNNXBMFYSA-N 1 1 287.363 2.638 20 30 CFEDMO C=CCC(F)(F)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000815015985 632187992 /nfs/dbraw/zinc/18/79/92/632187992.db2.gz QWDLFSMGHSIYLP-RYUDHWBXSA-N 1 1 274.355 2.577 20 30 CFEDMO C=CCOCC[N@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000815056756 632193082 /nfs/dbraw/zinc/19/30/82/632193082.db2.gz JFMOFAJPBDIOCF-UHFFFAOYSA-N 1 1 298.427 2.520 20 30 CFEDMO C=CCOCC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000815056756 632193091 /nfs/dbraw/zinc/19/30/91/632193091.db2.gz JFMOFAJPBDIOCF-UHFFFAOYSA-N 1 1 298.427 2.520 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844396526 632194070 /nfs/dbraw/zinc/19/40/70/632194070.db2.gz JAVJKHKNACGZSI-UONOGXRCSA-N 1 1 280.412 2.635 20 30 CFEDMO N#CCCOCC[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000815067033 632194236 /nfs/dbraw/zinc/19/42/36/632194236.db2.gz OMBQWMGKLMYNRP-SJORKVTESA-N 1 1 288.391 2.505 20 30 CFEDMO C#CCNC(=O)CC[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000815064186 632194280 /nfs/dbraw/zinc/19/42/80/632194280.db2.gz BIURONFWFKBJSY-GOSISDBHSA-N 1 1 296.414 2.668 20 30 CFEDMO C[C@H]([NH2+]CCOCCC#N)c1nc(C(F)(F)F)cs1 ZINC000815104196 632202805 /nfs/dbraw/zinc/20/28/05/632202805.db2.gz DGRPRGRJHCDSLE-QMMMGPOBSA-N 1 1 293.314 2.743 20 30 CFEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000815116362 632204223 /nfs/dbraw/zinc/20/42/23/632204223.db2.gz KNKFMSVQQHRUSQ-IBGZPJMESA-N 1 1 298.430 2.570 20 30 CFEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2conc2C)c1 ZINC000815126115 632207509 /nfs/dbraw/zinc/20/75/09/632207509.db2.gz HBMKBKCDSKCKJJ-OAHLLOKOSA-N 1 1 285.347 2.954 20 30 CFEDMO C=CCC(F)(F)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000815667546 632309945 /nfs/dbraw/zinc/30/99/45/632309945.db2.gz OACCPOMOMBGQPL-UHFFFAOYSA-N 1 1 286.366 2.675 20 30 CFEDMO C#CCCCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000844963224 632347088 /nfs/dbraw/zinc/34/70/88/632347088.db2.gz IAFOUWMPRAKAPP-SFHVURJKSA-N 1 1 284.403 2.571 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc[nH]c1C1CCC1 ZINC000845461967 632439836 /nfs/dbraw/zinc/43/98/36/632439836.db2.gz QYGGXQXLHGGBRI-AWEZNQCLSA-N 1 1 286.375 2.537 20 30 CFEDMO C#CC[N@H+](CC#CC)Cc1ccccc1-c1ccnn1C ZINC000816513725 632474899 /nfs/dbraw/zinc/47/48/99/632474899.db2.gz ZWRLZTUGKNMSGR-UHFFFAOYSA-N 1 1 277.371 2.546 20 30 CFEDMO C=C(C)CONC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000845598130 632476523 /nfs/dbraw/zinc/47/65/23/632476523.db2.gz XMKJWGPAYJIGPA-CQSZACIVSA-N 1 1 297.443 2.694 20 30 CFEDMO CCCCCCCCC(=O)N1CC(C[NH+]2CCOCC2)C1 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282.771 2.703 20 30 CFEDMO C#C[C@H](C)OC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000860561951 636912632 /nfs/dbraw/zinc/91/26/32/636912632.db2.gz WNQFEMDGPFYCMU-JCGIZDLHSA-N 1 1 297.398 2.710 20 30 CFEDMO C=CC[C@@H](C=C)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000860929012 637022499 /nfs/dbraw/zinc/02/24/99/637022499.db2.gz PCLIPHODDOLJNB-IUODEOHRSA-N 1 1 269.360 2.873 20 30 CFEDMO C=CCCC[N@@H+](C)Cc1cn(C)nc1Br ZINC000862247436 637298846 /nfs/dbraw/zinc/29/88/46/637298846.db2.gz WDHGPGVVWRWEKS-UHFFFAOYSA-N 1 1 272.190 2.581 20 30 CFEDMO C=CCCC[N@H+](C)Cc1cn(C)nc1Br ZINC000862247436 637298854 /nfs/dbraw/zinc/29/88/54/637298854.db2.gz WDHGPGVVWRWEKS-UHFFFAOYSA-N 1 1 272.190 2.581 20 30 CFEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cnc(C)o2)c1 ZINC000862281234 637310617 /nfs/dbraw/zinc/31/06/17/637310617.db2.gz WYYYKKHPTXNAAA-AWEZNQCLSA-N 1 1 285.347 2.954 20 30 CFEDMO CCCCCCCNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000862358020 637331589 /nfs/dbraw/zinc/33/15/89/637331589.db2.gz QGSCEQMMIOINBE-ZDUSSCGKSA-N 1 1 272.458 2.510 20 30 CFEDMO C#C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000862374305 637343679 /nfs/dbraw/zinc/34/36/79/637343679.db2.gz KKCFKIGSVPKRTD-CVEARBPZSA-N 1 1 274.383 2.962 20 30 CFEDMO C=CC(C)(C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000862394245 637353790 /nfs/dbraw/zinc/35/37/90/637353790.db2.gz FXDWTEXSVHLGNS-INIZCTEOSA-N 1 1 284.419 2.917 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3)nn2)C1 ZINC000862399940 637358461 /nfs/dbraw/zinc/35/84/61/637358461.db2.gz IFGZOZPPKVMVQG-AWEZNQCLSA-N 1 1 298.365 2.642 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cn(-c3ccc(F)cc3)nn2)C1 ZINC000862399940 637358464 /nfs/dbraw/zinc/35/84/64/637358464.db2.gz IFGZOZPPKVMVQG-AWEZNQCLSA-N 1 1 298.365 2.642 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000862442634 637381487 /nfs/dbraw/zinc/38/14/87/637381487.db2.gz DVBDJYXMIAJKRV-INIZCTEOSA-N 1 1 287.403 2.947 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OCC)c(OC)c2)C1 ZINC000862442785 637381982 /nfs/dbraw/zinc/38/19/82/637381982.db2.gz HUBCYJUPULMTQP-AWEZNQCLSA-N 1 1 273.376 2.939 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(OC)c2OC)C1 ZINC000862443012 637382367 /nfs/dbraw/zinc/38/23/67/637382367.db2.gz KKSISBPFIQNYDV-CYBMUJFWSA-N 1 1 259.349 2.549 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccccc2OCCOC)C1 ZINC000862444590 637386102 /nfs/dbraw/zinc/38/61/02/637386102.db2.gz CSNMNOBVUSJZKZ-HNNXBMFYSA-N 1 1 273.376 2.557 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000862445539 637386745 /nfs/dbraw/zinc/38/67/45/637386745.db2.gz WSMMARSPZZOKKJ-ZDUSSCGKSA-N 1 1 266.344 2.786 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(OCC)ccc2O)C1 ZINC000862445207 637387088 /nfs/dbraw/zinc/38/70/88/637387088.db2.gz OGBPYPWCVCRKKT-ZDUSSCGKSA-N 1 1 259.349 2.636 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000862445615 637387284 /nfs/dbraw/zinc/38/72/84/637387284.db2.gz YDXXOMDQKLXTPM-ZDUSSCGKSA-N 1 1 260.356 2.737 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000862445340 637388227 /nfs/dbraw/zinc/38/82/27/637388227.db2.gz QWEZCESBQMWEQB-INIZCTEOSA-N 1 1 269.388 2.899 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000862447944 637389231 /nfs/dbraw/zinc/38/92/31/637389231.db2.gz SSCRPASKEYIRGA-JKSUJKDBSA-N 1 1 287.403 2.946 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000862448098 637389376 /nfs/dbraw/zinc/38/93/76/637389376.db2.gz WWDZCOCKRFQZNB-SNVBAGLBSA-N 1 1 251.276 2.516 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000862448098 637389384 /nfs/dbraw/zinc/38/93/84/637389384.db2.gz WWDZCOCKRFQZNB-SNVBAGLBSA-N 1 1 251.276 2.516 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000862448096 637389686 /nfs/dbraw/zinc/38/96/86/637389686.db2.gz WWDZCOCKRFQZNB-JTQLQIEISA-N 1 1 251.276 2.516 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000862448096 637389690 /nfs/dbraw/zinc/38/96/90/637389690.db2.gz WWDZCOCKRFQZNB-JTQLQIEISA-N 1 1 251.276 2.516 20 30 CFEDMO C=CC[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC000862543299 637417081 /nfs/dbraw/zinc/41/70/81/637417081.db2.gz GFVAIEFOZCDJKX-OAHLLOKOSA-N 1 1 266.429 2.923 20 30 CFEDMO C#CC[C@H](COC)NC1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000862548899 637422125 /nfs/dbraw/zinc/42/21/25/637422125.db2.gz PXTWSIGQMYWWKV-NXHRZFHOSA-N 1 1 292.467 2.657 20 30 CFEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000862628761 637455118 /nfs/dbraw/zinc/45/51/18/637455118.db2.gz JXGWQDNLZMKXQR-HNNXBMFYSA-N 1 1 276.424 2.559 20 30 CFEDMO C#CCCCCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119095972 637499941 /nfs/dbraw/zinc/49/99/41/637499941.db2.gz CRGAMZBSMJEPEC-HZPDHXFCSA-N 1 1 290.451 2.949 20 30 CFEDMO CN(C)c1c(C=[NH+]NC23CC(C2)C3)ccc(F)c1F ZINC000863122129 637564845 /nfs/dbraw/zinc/56/48/45/637564845.db2.gz AWVQXSOVSXXBOA-UHFFFAOYSA-N 1 1 265.307 2.507 20 30 CFEDMO COc1ccccc1CC(=[NH+]n1cccn1)C(C)C ZINC000863164465 637577391 /nfs/dbraw/zinc/57/73/91/637577391.db2.gz KWHRREVKYNGLAH-UHFFFAOYSA-N 1 1 257.337 2.995 20 30 CFEDMO C#CCN1CC[NH+]([C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000075863361 650351605 /nfs/dbraw/zinc/35/16/05/650351605.db2.gz KUXDLKCMUOLWQP-ZDUSSCGKSA-N 1 1 262.784 2.652 20 30 CFEDMO C[NH+]1CCN(N=Cc2ccc(-c3ccccc3)o2)CC1 ZINC000864049660 637843721 /nfs/dbraw/zinc/84/37/21/637843721.db2.gz OBNXLSGKOJSVMN-UHFFFAOYSA-N 1 1 269.348 2.528 20 30 CFEDMO NC(CCc1ccccc1)=[NH+]OCc1ccccn1 ZINC000120201421 638081193 /nfs/dbraw/zinc/08/11/93/638081193.db2.gz IOPRJIJRYRBUIT-UHFFFAOYSA-N 1 1 255.321 2.503 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1coc(C#N)c1 ZINC000864885550 638115412 /nfs/dbraw/zinc/11/54/12/638115412.db2.gz ZBWPHDJUTQGOLF-CYBMUJFWSA-N 1 1 289.379 2.536 20 30 CFEDMO CC(C)CCC(N)=[NH+]OCCCOCC(F)(F)F ZINC000077239195 650415739 /nfs/dbraw/zinc/41/57/39/650415739.db2.gz ZXHAOVWOLWALKO-UHFFFAOYSA-N 1 1 270.295 2.680 20 30 CFEDMO C[C@@H]1C[C@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000865559138 638423036 /nfs/dbraw/zinc/42/30/36/638423036.db2.gz XJGOBOFTCVKOSA-MWLCHTKSSA-N 1 1 292.314 2.500 20 30 CFEDMO CCCc1ncc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)o1 ZINC000865591687 638445774 /nfs/dbraw/zinc/44/57/74/638445774.db2.gz KOGLXERYMKXQQT-UHFFFAOYSA-N 1 1 298.390 2.855 20 30 CFEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(C(F)(F)F)cc(C#N)n1 ZINC000865652526 638489214 /nfs/dbraw/zinc/48/92/14/638489214.db2.gz AUASJDZAGJKOLE-NXEZZACHSA-N 1 1 298.312 2.501 20 30 CFEDMO CCCC[N@@H+](C)CCNC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000865744579 638548679 /nfs/dbraw/zinc/54/86/79/638548679.db2.gz AFQPMSRBPKKSQC-UHFFFAOYSA-N 1 1 298.390 2.501 20 30 CFEDMO C[C@@H]1CN(c2cc(C(F)(F)F)cc(C#N)n2)C[C@H](C)[N@@H+]1C ZINC000865834709 638599693 /nfs/dbraw/zinc/59/96/93/638599693.db2.gz QFFLIGTYRZZKEU-AOOOYVTPSA-N 1 1 298.312 2.501 20 30 CFEDMO C[N@H+]1CCN(C(=O)Nc2ccc(C#N)cc2)CCC1(C)C ZINC000866099060 638736483 /nfs/dbraw/zinc/73/64/83/638736483.db2.gz YNPPNPSBMUCFKU-UHFFFAOYSA-N 1 1 286.379 2.506 20 30 CFEDMO Cc1cc(C#N)cc(NC[C@H]2c3ccccc3C[N@H+]2C)n1 ZINC000866194410 638767129 /nfs/dbraw/zinc/76/71/29/638767129.db2.gz ISLQVHWBOXRONN-INIZCTEOSA-N 1 1 278.359 2.860 20 30 CFEDMO Cc1cc(C#N)cc(NC[C@H]2c3ccccc3C[N@@H+]2C)n1 ZINC000866194410 638767131 /nfs/dbraw/zinc/76/71/31/638767131.db2.gz ISLQVHWBOXRONN-INIZCTEOSA-N 1 1 278.359 2.860 20 30 CFEDMO Cc1ccc(C#N)nc1NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000866195131 638768008 /nfs/dbraw/zinc/76/80/08/638768008.db2.gz NNTXBDJMFNHQCG-MRXNPFEDSA-N 1 1 278.359 2.860 20 30 CFEDMO Cc1ccc(C#N)nc1NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000866195131 638768009 /nfs/dbraw/zinc/76/80/09/638768009.db2.gz NNTXBDJMFNHQCG-MRXNPFEDSA-N 1 1 278.359 2.860 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3c(C#N)cnc4ccccc43)CC[C@H]21 ZINC000866204890 638770001 /nfs/dbraw/zinc/77/00/01/638770001.db2.gz HKGILXSOGLKMFB-CXAGYDPISA-N 1 1 292.386 2.637 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3cccc(Cl)c3C#N)CC[C@@H]21 ZINC000866205142 638770009 /nfs/dbraw/zinc/77/00/09/638770009.db2.gz AVHNBAZDVYVBHT-FZMZJTMJSA-N 1 1 275.783 2.742 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3nc(C(C)(C)C)ccc3C#N)CC[C@@H]21 ZINC000866208541 638770796 /nfs/dbraw/zinc/77/07/96/638770796.db2.gz NMFLGOREFSKDHU-CABCVRRESA-N 1 1 298.434 2.781 20 30 CFEDMO CCOc1ncccc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866229133 638775312 /nfs/dbraw/zinc/77/53/12/638775312.db2.gz PUNXWSUBSSOGNT-GFCCVEGCSA-N 1 1 297.358 2.908 20 30 CFEDMO Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(C#N)c1[O-] ZINC000866238370 638777051 /nfs/dbraw/zinc/77/70/51/638777051.db2.gz MJUYZVBPSMLAAW-GFCCVEGCSA-N 1 1 284.363 2.510 20 30 CFEDMO C=C(C)COCC[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866304905 638793453 /nfs/dbraw/zinc/79/34/53/638793453.db2.gz BCACDLXGYMUMJJ-UKRRQHHQSA-N 1 1 265.328 2.641 20 30 CFEDMO CCc1noc(C)c1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866364553 638804788 /nfs/dbraw/zinc/80/47/88/638804788.db2.gz RJDQVVYQSDSGIA-SNVBAGLBSA-N 1 1 285.347 2.974 20 30 CFEDMO N#Cc1cc(F)ccc1N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000866589863 638850335 /nfs/dbraw/zinc/85/03/35/638850335.db2.gz MJUOKHFJMMILEF-BBRMVZONSA-N 1 1 298.365 2.512 20 30 CFEDMO C=C(Cl)CN1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000122093175 638935815 /nfs/dbraw/zinc/93/58/15/638935815.db2.gz KODFAYYLGWUXLD-UHFFFAOYSA-N 1 1 288.863 2.809 20 30 CFEDMO C=C(Cl)CN1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000122093175 638935817 /nfs/dbraw/zinc/93/58/17/638935817.db2.gz KODFAYYLGWUXLD-UHFFFAOYSA-N 1 1 288.863 2.809 20 30 CFEDMO C=CCCC(C)(C)CNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868859129 638986763 /nfs/dbraw/zinc/98/67/63/638986763.db2.gz BJGNFCVIKVTPCY-HUUCEWRRSA-N 1 1 293.455 2.714 20 30 CFEDMO Cc1cc(C)c(COC(=O)c2ccnc(C#N)c2)c(C)[nH+]1 ZINC000869507973 639265257 /nfs/dbraw/zinc/26/52/57/639265257.db2.gz CGVWCTJCDHHROH-UHFFFAOYSA-N 1 1 281.315 2.631 20 30 CFEDMO CC(C)C#CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000869802151 639408274 /nfs/dbraw/zinc/40/82/74/639408274.db2.gz QCQFHBLJBAFKNO-WMZOPIPTSA-N 1 1 298.430 2.530 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1sccc1CC#N ZINC000870045077 639509097 /nfs/dbraw/zinc/50/90/97/639509097.db2.gz ZGEFXJWXYADBOC-CYBMUJFWSA-N 1 1 292.404 2.845 20 30 CFEDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CCCCC#N)CC1 ZINC000870121349 639522054 /nfs/dbraw/zinc/52/20/54/639522054.db2.gz OOZSWAMSVNUQRZ-MRXNPFEDSA-N 1 1 299.418 2.976 20 30 CFEDMO C[C@@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1ccc(C#N)cc1 ZINC000870786922 641070668 /nfs/dbraw/zinc/07/06/68/641070668.db2.gz BWOAIBLUTZKCMT-XJKSGUPXSA-N 1 1 286.375 2.978 20 30 CFEDMO C=CCCO[C@H](C)C(=O)O[C@H](C)C[C@@H]1CCCC[N@H+]1C ZINC000870788104 641071109 /nfs/dbraw/zinc/07/11/09/641071109.db2.gz FCSRGPPLRRBYMQ-KFWWJZLASA-N 1 1 283.412 2.774 20 30 CFEDMO Cc1cccc(C#N)c1SCCC[NH+]1CCOCC1 ZINC000871691529 641407689 /nfs/dbraw/zinc/40/76/89/641407689.db2.gz SODMOMDTNDIGBX-UHFFFAOYSA-N 1 1 276.405 2.681 20 30 CFEDMO CC(=NOCc1c(C)cc(C)[nH+]c1C)c1cnn(C)c1 ZINC000871729684 641426621 /nfs/dbraw/zinc/42/66/21/641426621.db2.gz YKNUHWUMWPLBQW-UHFFFAOYSA-N 1 1 272.352 2.681 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ncccc2C)no1 ZINC000872173751 641693350 /nfs/dbraw/zinc/69/33/50/641693350.db2.gz UMTCGJLZCPKNSN-SECBINFHSA-N 1 1 264.716 2.582 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cc(CC)ccn2)no1 ZINC000872182643 641697030 /nfs/dbraw/zinc/69/70/30/641697030.db2.gz YMBVCSPAPLLPGS-SNVBAGLBSA-N 1 1 278.743 2.836 20 30 CFEDMO C[C@H]1C(N=Nc2cccc3ncccc23)CC[N@H+]1C ZINC000872341658 641759511 /nfs/dbraw/zinc/75/95/11/641759511.db2.gz GMEZFNGTRRSEKE-NSHDSACASA-N 1 1 254.337 2.727 20 30 CFEDMO Fc1cccc(N=NC2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000872345894 641761812 /nfs/dbraw/zinc/76/18/12/641761812.db2.gz WYOQLLIPJZBIDE-CQSZACIVSA-N 1 1 279.384 2.805 20 30 CFEDMO Fc1cccc(N=NC2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000872345894 641761816 /nfs/dbraw/zinc/76/18/16/641761816.db2.gz WYOQLLIPJZBIDE-CQSZACIVSA-N 1 1 279.384 2.805 20 30 CFEDMO C[C@H]1C(N=Nc2cccc3cnccc32)CC[N@H+]1C ZINC000872351099 641762889 /nfs/dbraw/zinc/76/28/89/641762889.db2.gz OEUGJAWOMRQDPH-NSHDSACASA-N 1 1 254.337 2.727 20 30 CFEDMO CSCCO[NH+]=Cc1cc(F)ccc1N(C)C ZINC000872370825 641775974 /nfs/dbraw/zinc/77/59/74/641775974.db2.gz BZFRCYXLWYHWML-UHFFFAOYSA-N 1 1 256.346 2.605 20 30 CFEDMO CC[C@@H](C)CON=C1CCC[N@H+]2CCSC[C@@H]12 ZINC000872376499 641780617 /nfs/dbraw/zinc/78/06/17/641780617.db2.gz HORUQVYVFNRSTP-YPMHNXCESA-N 1 1 256.415 2.616 20 30 CFEDMO CC[N@H+]1CCC(=NNC[C@@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000872408145 641797309 /nfs/dbraw/zinc/79/73/09/641797309.db2.gz NKTLIFBQKCVTRZ-RYUDHWBXSA-N 1 1 273.371 2.729 20 30 CFEDMO CC[C@@H](C)CC=[NH+]n1c(SC)nnc1SC ZINC000872417740 641803289 /nfs/dbraw/zinc/80/32/89/641803289.db2.gz MFJPGDCVCRBXOF-MRVPVSSYSA-N 1 1 258.416 2.992 20 30 CFEDMO CSc1nnc(SC)n1[NH+]=C[C@H]1CC[C@H](C)C1 ZINC000872417931 641803548 /nfs/dbraw/zinc/80/35/48/641803548.db2.gz UFLARCSKYLVLHV-IUCAKERBSA-N 1 1 270.427 2.992 20 30 CFEDMO C=CC[N@H+](CN1C[C@@H](Cc2ccccc2)CC1=O)C1CC1 ZINC000872594900 641869984 /nfs/dbraw/zinc/86/99/84/641869984.db2.gz AQRXGNCFAOXPPE-INIZCTEOSA-N 1 1 284.403 2.686 20 30 CFEDMO C=CC[N@@H+](CN1C[C@@H](Cc2ccccc2)CC1=O)C1CC1 ZINC000872594900 641869988 /nfs/dbraw/zinc/86/99/88/641869988.db2.gz AQRXGNCFAOXPPE-INIZCTEOSA-N 1 1 284.403 2.686 20 30 CFEDMO Cc1c(Cl)cnc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1C#N ZINC000872779067 641933643 /nfs/dbraw/zinc/93/36/43/641933643.db2.gz DQMCVJQENNIQON-UONOGXRCSA-N 1 1 290.798 2.588 20 30 CFEDMO C#C[C@H]1CC[C@H]([NH2+]Cc2n[nH]c3ccccc32)CC1 ZINC000873198563 642063111 /nfs/dbraw/zinc/06/31/11/642063111.db2.gz PVPGQNSGSJNTJY-JOCQHMNTSA-N 1 1 253.349 2.845 20 30 CFEDMO C[N@@H+]1CCN(C(=O)C#Cc2ccccc2)c2ccccc2C1 ZINC000081681784 650723670 /nfs/dbraw/zinc/72/36/70/650723670.db2.gz WFKATWWDKOQMPU-UHFFFAOYSA-N 1 1 290.366 2.517 20 30 CFEDMO C[N@H+]1CCN(C(=O)C#Cc2ccccc2)c2ccccc2C1 ZINC000081681784 650723675 /nfs/dbraw/zinc/72/36/75/650723675.db2.gz WFKATWWDKOQMPU-UHFFFAOYSA-N 1 1 290.366 2.517 20 30 CFEDMO C#Cc1cccc(N(C)C(=O)[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000874342761 642370785 /nfs/dbraw/zinc/37/07/85/642370785.db2.gz JIQWJMUJCKJKLN-KRWDZBQOSA-N 1 1 282.387 2.648 20 30 CFEDMO C#CCOc1ccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000874445976 642386788 /nfs/dbraw/zinc/38/67/88/642386788.db2.gz SVNIIAZQEPMAQE-QGZVFWFLSA-N 1 1 298.386 2.654 20 30 CFEDMO Cc1cc(F)c(C#N)cc1NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000874903029 642547565 /nfs/dbraw/zinc/54/75/65/642547565.db2.gz CLJYGFRBPZFBBB-SNVBAGLBSA-N 1 1 286.310 2.546 20 30 CFEDMO Cc1ccc(Cl)cc1NC(=O)CO[NH+]=C(N)CC(C)C ZINC000125463095 642637825 /nfs/dbraw/zinc/63/78/25/642637825.db2.gz HXLALOBZPNIWTF-UHFFFAOYSA-N 1 1 297.786 2.922 20 30 CFEDMO C=C[C@@H](C)ONC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000875699909 642670379 /nfs/dbraw/zinc/67/03/79/642670379.db2.gz BVDKBPSMSSVLKC-UKRRQHHQSA-N 1 1 295.427 2.589 20 30 CFEDMO CCCCCCCNC(=O)N1CCC[N@@H+](CC)CC1 ZINC000875764189 642682755 /nfs/dbraw/zinc/68/27/55/642682755.db2.gz CGYZWWYROPMDFG-UHFFFAOYSA-N 1 1 269.433 2.694 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC000876321952 642824530 /nfs/dbraw/zinc/82/45/30/642824530.db2.gz BEFWJNQFPAAYOB-AWEZNQCLSA-N 1 1 281.444 2.714 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@H+](C)Cc1ccco1 ZINC000876539371 642911609 /nfs/dbraw/zinc/91/16/09/642911609.db2.gz DVLSPPADMJTSSL-UHFFFAOYSA-N 1 1 269.348 2.849 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)Cc1ccco1 ZINC000876539371 642911611 /nfs/dbraw/zinc/91/16/11/642911611.db2.gz DVLSPPADMJTSSL-UHFFFAOYSA-N 1 1 269.348 2.849 20 30 CFEDMO COc1ccccc1OCC[N@@H+](C)C[C@H](C)CCC#N ZINC000876613243 642944733 /nfs/dbraw/zinc/94/47/33/642944733.db2.gz LTPAZMUNBJBFDX-CQSZACIVSA-N 1 1 276.380 2.946 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000876644353 642956456 /nfs/dbraw/zinc/95/64/56/642956456.db2.gz WAUJDSGZXQDCOB-UONOGXRCSA-N 1 1 295.427 2.867 20 30 CFEDMO CO[C@@H](C)C[N@H+](Cc1cc(C#N)cnc1Cl)C(C)C ZINC000876757626 642997286 /nfs/dbraw/zinc/99/72/86/642997286.db2.gz FFBWIAZKWAKIFF-NSHDSACASA-N 1 1 281.787 2.852 20 30 CFEDMO CO[C@@H](C)C[N@@H+](Cc1cc(C#N)cnc1Cl)C(C)C ZINC000876757626 642997288 /nfs/dbraw/zinc/99/72/88/642997288.db2.gz FFBWIAZKWAKIFF-NSHDSACASA-N 1 1 281.787 2.852 20 30 CFEDMO CCCCCCCNC(=O)[C@H]([NH3+])c1ccccc1OC ZINC000876987647 643094062 /nfs/dbraw/zinc/09/40/62/643094062.db2.gz CXFHWJNZDJAMOU-OAHLLOKOSA-N 1 1 278.396 2.782 20 30 CFEDMO C=CC[C@@H]([NH2+]Cc1cc2c(cn1)OCCO2)c1ccncc1 ZINC000877046707 643119555 /nfs/dbraw/zinc/11/95/55/643119555.db2.gz RHNDLWAPTXZVGF-OAHLLOKOSA-N 1 1 297.358 2.655 20 30 CFEDMO N#Cc1cccc(C2([NH2+]Cc3ccc(Cl)nn3)CC2)c1 ZINC000877115138 643158643 /nfs/dbraw/zinc/15/86/43/643158643.db2.gz BZRSJEJDFKWATH-UHFFFAOYSA-N 1 1 284.750 2.781 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000245511808 650818909 /nfs/dbraw/zinc/81/89/09/650818909.db2.gz ZFLAEFINQCMRSX-JSGCOSHPSA-N 1 1 276.405 2.915 20 30 CFEDMO CC[C@@H]1COCC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245514573 650819021 /nfs/dbraw/zinc/81/90/21/650819021.db2.gz GDGJTBFWLISUSU-UKRRQHHQSA-N 1 1 274.364 2.588 20 30 CFEDMO CC[C@@H]1COCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000245514573 650819024 /nfs/dbraw/zinc/81/90/24/650819024.db2.gz GDGJTBFWLISUSU-UKRRQHHQSA-N 1 1 274.364 2.588 20 30 CFEDMO COCC1(C)CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000877171716 643187826 /nfs/dbraw/zinc/18/78/26/643187826.db2.gz KQGONPVTRLZEIM-UHFFFAOYSA-N 1 1 293.798 2.855 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000245542553 650821732 /nfs/dbraw/zinc/82/17/32/650821732.db2.gz PZKUZOYAQLCRSK-MJBXVCDLSA-N 1 1 274.364 2.587 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)OC[C@@H]2C)cc1 ZINC000245542553 650821736 /nfs/dbraw/zinc/82/17/36/650821736.db2.gz PZKUZOYAQLCRSK-MJBXVCDLSA-N 1 1 274.364 2.587 20 30 CFEDMO C=CC[N@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1CC1 ZINC000877328411 643241530 /nfs/dbraw/zinc/24/15/30/643241530.db2.gz GVBLVAXEJAJRHE-UHFFFAOYSA-N 1 1 286.419 2.798 20 30 CFEDMO COC[C@@H]1CCCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877396448 643258293 /nfs/dbraw/zinc/25/82/93/643258293.db2.gz XIGRXROJURBOLT-GFCCVEGCSA-N 1 1 293.798 2.855 20 30 CFEDMO C#CCCCCCC[N@H+]1CCOC2(CCOCC2)CC1 ZINC000877398097 643258395 /nfs/dbraw/zinc/25/83/95/643258395.db2.gz BCRDDEZFOOJXGD-UHFFFAOYSA-N 1 1 279.424 2.842 20 30 CFEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877464631 643284085 /nfs/dbraw/zinc/28/40/85/643284085.db2.gz NCCHJTIGCNBPTA-UHIISALHSA-N 1 1 293.798 2.588 20 30 CFEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877464631 643284089 /nfs/dbraw/zinc/28/40/89/643284089.db2.gz NCCHJTIGCNBPTA-UHIISALHSA-N 1 1 293.798 2.588 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000877465068 643286048 /nfs/dbraw/zinc/28/60/48/643286048.db2.gz TXCDLASGZZLGTA-CQSZACIVSA-N 1 1 290.386 2.673 20 30 CFEDMO C=CCC[N@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877465012 643286332 /nfs/dbraw/zinc/28/63/32/643286332.db2.gz OPAUJOLAQSADOZ-UHFFFAOYSA-N 1 1 274.408 2.656 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000877480531 643296699 /nfs/dbraw/zinc/29/66/99/643296699.db2.gz YFHNQEUGEJGTKC-NSHDSACASA-N 1 1 289.329 2.819 20 30 CFEDMO C#CCCCCCCN1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000877483307 643299064 /nfs/dbraw/zinc/29/90/64/643299064.db2.gz MDJBRUAHBGLPJQ-QGZVFWFLSA-N 1 1 292.467 2.755 20 30 CFEDMO C#CCCCCCC[N@H+]1CCN(C2CCOCC2)C[C@H]1C ZINC000877483307 643299068 /nfs/dbraw/zinc/29/90/68/643299068.db2.gz MDJBRUAHBGLPJQ-QGZVFWFLSA-N 1 1 292.467 2.755 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCN(C2CCOCC2)C[C@H]1C ZINC000877483307 643299072 /nfs/dbraw/zinc/29/90/72/643299072.db2.gz MDJBRUAHBGLPJQ-QGZVFWFLSA-N 1 1 292.467 2.755 20 30 CFEDMO N#CCCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877483950 643299374 /nfs/dbraw/zinc/29/93/74/643299374.db2.gz SBNBWDLRKCETPY-RDJZCZTQSA-N 1 1 269.392 2.858 20 30 CFEDMO C#CCCCCCC[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000877485614 643299977 /nfs/dbraw/zinc/29/99/77/643299977.db2.gz AOXORFISJJAXDF-INIZCTEOSA-N 1 1 279.424 2.840 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)C[C@H](C2CC2)O1 ZINC000877487434 643303709 /nfs/dbraw/zinc/30/37/09/643303709.db2.gz UPBQFMCUOXSOOP-FZKQIMNGSA-N 1 1 299.418 2.624 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)C[C@H](C2CC2)O1 ZINC000877487434 643303714 /nfs/dbraw/zinc/30/37/14/643303714.db2.gz UPBQFMCUOXSOOP-FZKQIMNGSA-N 1 1 299.418 2.624 20 30 CFEDMO C#C[C@@H](CC)[NH2+]Cc1ncc(Br)cc1Cl ZINC000877513090 643320055 /nfs/dbraw/zinc/32/00/55/643320055.db2.gz KWRZGXWHYSFKMB-VIFPVBQESA-N 1 1 287.588 2.999 20 30 CFEDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1C[C@H](C)CCC#N ZINC000877513993 643320116 /nfs/dbraw/zinc/32/01/16/643320116.db2.gz FXXAJOQCAUZWSP-ZIAGYGMSSA-N 1 1 281.400 2.527 20 30 CFEDMO C#C[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877513685 643320122 /nfs/dbraw/zinc/32/01/22/643320122.db2.gz CIGJIINBXSUCTE-MRVPVSSYSA-N 1 1 272.226 2.725 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1CNCc1cc(C#N)cnc1Cl ZINC000877521213 643325000 /nfs/dbraw/zinc/32/50/00/643325000.db2.gz SRAXQWMGBXEPBD-AWEZNQCLSA-N 1 1 292.814 2.571 20 30 CFEDMO C=CCCCCCC[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000877522126 643326455 /nfs/dbraw/zinc/32/64/55/643326455.db2.gz NDAIGVWISJSTJV-UHFFFAOYSA-N 1 1 282.472 2.948 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H]2CCCOC2)cc1 ZINC000245720730 650831215 /nfs/dbraw/zinc/83/12/15/650831215.db2.gz HXQKAGVPFSVGIH-GDBMZVCRSA-N 1 1 288.391 2.836 20 30 CFEDMO CCCC[N@@H+](C)C[C@@H](C)NCc1cc(C#N)cnc1Cl ZINC000877539454 643341006 /nfs/dbraw/zinc/34/10/06/643341006.db2.gz MLFXDLWXGBOKJX-GFCCVEGCSA-N 1 1 294.830 2.817 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCc2c(nnn2-c2ccccc2)C1 ZINC000877548549 643349227 /nfs/dbraw/zinc/34/92/27/643349227.db2.gz LXGGGTDUGFHCIP-CQSZACIVSA-N 1 1 295.390 2.565 20 30 CFEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877603444 643390387 /nfs/dbraw/zinc/39/03/87/643390387.db2.gz NIBQRHGRCQKOCC-MRXNPFEDSA-N 1 1 287.407 2.624 20 30 CFEDMO CC[N@@H+](CCSC)Cc1cc(C#N)ccc1N(C)C ZINC000877608730 643395740 /nfs/dbraw/zinc/39/57/40/643395740.db2.gz WBWIWGFDDVQJSU-UHFFFAOYSA-N 1 1 277.437 2.809 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccnn2CC2CCC2)C1 ZINC000877616554 643402069 /nfs/dbraw/zinc/40/20/69/643402069.db2.gz DTPGIXCJSUSPSB-CQSZACIVSA-N 1 1 257.381 2.528 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2c(OC)cc(F)cc2OC)C1 ZINC000877650018 643430990 /nfs/dbraw/zinc/43/09/90/643430990.db2.gz CTGUZHYDFBJWCW-GFCCVEGCSA-N 1 1 277.339 2.688 20 30 CFEDMO CC[C@]1(O)CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000877691123 643456795 /nfs/dbraw/zinc/45/67/95/643456795.db2.gz JKGHFGDWQBGXDP-YOEHRIQHSA-N 1 1 288.391 2.714 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H]2CN3CCC2CC3)cc1 ZINC000877706097 643472412 /nfs/dbraw/zinc/47/24/12/643472412.db2.gz HLEWARCJRXXWGW-KBXCAEBGSA-N 1 1 299.418 2.503 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(CN(C)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000877706097 643472416 /nfs/dbraw/zinc/47/24/16/643472416.db2.gz HLEWARCJRXXWGW-KBXCAEBGSA-N 1 1 299.418 2.503 20 30 CFEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000877716761 643480916 /nfs/dbraw/zinc/48/09/16/643480916.db2.gz MFKJSVWKZXFINU-LBPRGKRZSA-N 1 1 278.318 2.970 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC000877716761 643480919 /nfs/dbraw/zinc/48/09/19/643480919.db2.gz 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251.446 2.509 20 30 CFEDMO Cn1ccnc1[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000347165963 778617037 /nfs/dbraw/zinc/61/70/37/778617037.db2.gz SSSARDOSDMLRJM-CYBMUJFWSA-N 1 1 260.385 2.539 20 30 CFEDMO CCCCCCCCCN1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001235992701 778645578 /nfs/dbraw/zinc/64/55/78/778645578.db2.gz LTFPPXXPECLILH-XYPWUTKMSA-N 1 1 268.445 2.643 20 30 CFEDMO C=C[C@]1(C)CC[C@@H](C(C)(C)OC[C@@H]2CCC[N@@H+]2C)O1 ZINC001224817029 778705091 /nfs/dbraw/zinc/70/50/91/778705091.db2.gz GNQQNQZAXHYIIS-OFQRWUPVSA-N 1 1 267.413 3.000 20 30 CFEDMO C=CCc1cccc(C[N@@H+]2CCN[C@@H](CCC)C2)c1O ZINC001236177894 778726181 /nfs/dbraw/zinc/72/61/81/778726181.db2.gz GOQMFSWRGGEARJ-INIZCTEOSA-N 1 1 274.408 2.695 20 30 CFEDMO C=CCc1cccc(C[N@H+]2CCN[C@@H](CCC)C2)c1O ZINC001236177894 778726183 /nfs/dbraw/zinc/72/61/83/778726183.db2.gz GOQMFSWRGGEARJ-INIZCTEOSA-N 1 1 274.408 2.695 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCc3ccc(N)cc3C2)cc1 ZINC001236234256 778747163 /nfs/dbraw/zinc/74/71/63/778747163.db2.gz YRPUSCOHXZKJMV-UHFFFAOYSA-N 1 1 262.356 2.808 20 30 CFEDMO C[N@@H+](CCO)Cc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC001236256126 778754746 /nfs/dbraw/zinc/75/47/46/778754746.db2.gz ZCGAWYRNLDQWBM-UHFFFAOYSA-N 1 1 282.343 2.775 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)[C@H]1C ZINC001088840235 778781261 /nfs/dbraw/zinc/78/12/61/778781261.db2.gz BIWPIEDVLOEQDS-RDBSUJKOSA-N 1 1 264.413 2.578 20 30 CFEDMO CCCCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001236409921 778805749 /nfs/dbraw/zinc/80/57/49/778805749.db2.gz AFAKJNFVADYWQU-HOTGVXAUSA-N 1 1 298.471 2.949 20 30 CFEDMO CCCCCCCCCCN1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001236409921 778805752 /nfs/dbraw/zinc/80/57/52/778805752.db2.gz AFAKJNFVADYWQU-HOTGVXAUSA-N 1 1 298.471 2.949 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cccc(F)c2C)C1 ZINC001030349505 778842441 /nfs/dbraw/zinc/84/24/41/778842441.db2.gz DCGZKRCDJWFGLB-UHFFFAOYSA-N 1 1 276.355 2.514 20 30 CFEDMO Cc1[nH+]ccn1-c1cc(-c2ccc(C#N)cc2F)ncn1 ZINC001236526635 778861417 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C=C(C)CC[NH+]1CC(NC(=O)c2cscc2Cl)C1 ZINC001030487727 778884195 /nfs/dbraw/zinc/88/41/95/778884195.db2.gz SYQSTHYGAVTPHU-UHFFFAOYSA-N 1 1 284.812 2.782 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)cc3c2OCCC3)C1 ZINC001236629593 778898589 /nfs/dbraw/zinc/89/85/89/778898589.db2.gz LOLKUCZROVRYSW-ZDUSSCGKSA-N 1 1 273.351 2.996 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]2CCC)C1 ZINC001030567904 778909977 /nfs/dbraw/zinc/90/99/77/778909977.db2.gz BKYQOABFCKGCFK-HOCLYGCPSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(F)ccc2Cl)[C@H]1C ZINC001088878347 778932530 /nfs/dbraw/zinc/93/25/30/778932530.db2.gz PBTFXYRPAVNWLJ-YGRLFVJLSA-N 1 1 296.773 2.858 20 30 CFEDMO COC(=O)c1cc(F)cc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC001236783514 778934919 /nfs/dbraw/zinc/93/49/19/778934919.db2.gz UORBEUBHCGYZQN-UHFFFAOYSA-N 1 1 290.338 2.738 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccsc2Cl)[C@H]1C ZINC001088899518 778941740 /nfs/dbraw/zinc/94/17/40/778941740.db2.gz LEVAGKREAJYXIB-KOLCDFICSA-N 1 1 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C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CCC3)CC(C)(C)C1 ZINC001089505359 779500474 /nfs/dbraw/zinc/50/04/74/779500474.db2.gz FRLCBYIWHHMAND-LSDHHAIUSA-N 1 1 290.451 2.969 20 30 CFEDMO C=C[C@H](C(=O)N(CC)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001123923386 779503154 /nfs/dbraw/zinc/50/31/54/779503154.db2.gz BOPJSOJHKYAUNS-HOTGVXAUSA-N 1 1 272.392 2.509 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C)CC(C)(C)C1 ZINC001089543352 779504852 /nfs/dbraw/zinc/50/48/52/779504852.db2.gz ADLFZLUPZNAFCY-CYBMUJFWSA-N 1 1 266.429 2.825 20 30 CFEDMO CC(C)C#CC(=O)NCc1ccccc1C[N@@H+](C)CC1CC1 ZINC001272670323 779517030 /nfs/dbraw/zinc/51/70/30/779517030.db2.gz OPQBPTRTVSWQON-UHFFFAOYSA-N 1 1 298.430 2.804 20 30 CFEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001089625867 779548554 /nfs/dbraw/zinc/54/85/54/779548554.db2.gz SUAJPEBNWQUWLT-WCVJEAGWSA-N 1 1 290.451 2.825 20 30 CFEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1[nH]ccc1C ZINC001089635026 779550125 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CC[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCS1 ZINC000595332148 349603523 /nfs/dbraw/zinc/60/35/23/349603523.db2.gz CFYWZHZGRLGCMD-HNNXBMFYSA-N 1 1 260.406 2.928 20 30 CFEDMO CCOC(=O)[C@@H]1CCCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595288077 349591063 /nfs/dbraw/zinc/59/10/63/349591063.db2.gz YAZKCANCTAWIIE-INIZCTEOSA-N 1 1 286.375 2.518 20 30 CFEDMO CCOC(=O)[C@@H]1CCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595288077 349591066 /nfs/dbraw/zinc/59/10/66/349591066.db2.gz YAZKCANCTAWIIE-INIZCTEOSA-N 1 1 286.375 2.518 20 30 CFEDMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595290557 349592464 /nfs/dbraw/zinc/59/24/64/349592464.db2.gz MBARTEVZHFMQDK-BBRMVZONSA-N 1 1 258.365 2.600 20 30 CFEDMO CC[N@@H+](C[C@@H](COC)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000595296284 349595044 /nfs/dbraw/zinc/59/50/44/349595044.db2.gz ZHJWBFRBWMZCEP-CJNGLKHVSA-N 1 1 276.380 2.603 20 30 CFEDMO CC1(C)C[C@@H]([N@H+]2CCCN(c3ccccc3C#N)CC2)CO1 ZINC000595299624 349597161 /nfs/dbraw/zinc/59/71/61/349597161.db2.gz WMECIGLDZGQOFQ-MRXNPFEDSA-N 1 1 299.418 2.638 20 30 CFEDMO C[C@@H](C#N)C[N@H+](C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000595300699 349597297 /nfs/dbraw/zinc/59/72/97/349597297.db2.gz FUWSODWUEIVLGA-FZMZJTMJSA-N 1 1 289.404 2.581 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000595300699 349597299 /nfs/dbraw/zinc/59/72/99/349597299.db2.gz FUWSODWUEIVLGA-FZMZJTMJSA-N 1 1 289.404 2.581 20 30 CFEDMO CC(C)N1CCC([N@H+](C)CCc2ccc(C#N)cc2)CC1 ZINC000595300337 349597346 /nfs/dbraw/zinc/59/73/46/349597346.db2.gz AAYIZMHLHXFJKI-UHFFFAOYSA-N 1 1 285.435 2.905 20 30 CFEDMO CC(C)N1CCC([N@@H+](C)CCc2ccc(C#N)cc2)CC1 ZINC000595300337 349597350 /nfs/dbraw/zinc/59/73/50/349597350.db2.gz AAYIZMHLHXFJKI-UHFFFAOYSA-N 1 1 285.435 2.905 20 30 CFEDMO C[N@@H+](CCOC(C)(C)C)CCc1ccc(C#N)cc1 ZINC000595349692 349608999 /nfs/dbraw/zinc/60/89/99/349608999.db2.gz CTDDERSMVHQEJC-UHFFFAOYSA-N 1 1 260.381 2.848 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000595381701 349613336 /nfs/dbraw/zinc/61/33/36/349613336.db2.gz 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N#Cc1ccc(CC[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000595562420 349660442 /nfs/dbraw/zinc/66/04/42/349660442.db2.gz KOHADJSCDWQUMM-SFHVURJKSA-N 1 1 277.371 2.985 20 30 CFEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595561230 349660604 /nfs/dbraw/zinc/66/06/04/349660604.db2.gz HZNNFRHDGHYSME-KKUMJFAQSA-N 1 1 289.423 2.592 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000595536283 349653389 /nfs/dbraw/zinc/65/33/89/349653389.db2.gz XRBSDROELPNRHR-QGZVFWFLSA-N 1 1 270.376 2.602 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cccc(CC#N)c2)C1 ZINC000069035066 346880753 /nfs/dbraw/zinc/88/07/53/346880753.db2.gz MDHKXKZRJASXSN-INIZCTEOSA-N 1 1 299.418 2.603 20 30 CFEDMO CN(Cc1cnc[nH]1)Cc1ccccc1C(C)(C)C#N ZINC000595595815 349668885 /nfs/dbraw/zinc/66/88/85/349668885.db2.gz ZWAMGSSTCXIDQJ-UHFFFAOYSA-N 1 1 268.364 2.843 20 30 CFEDMO C[N@@H+](CC1CCCC1)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000069227655 346886361 /nfs/dbraw/zinc/88/63/61/346886361.db2.gz 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C=CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)COC ZINC000595638544 349685596 /nfs/dbraw/zinc/68/55/96/349685596.db2.gz HZQKDGFWLSQYEI-LBPRGKRZSA-N 1 1 264.325 2.618 20 30 CFEDMO C=CC[N@@H+](Cc1ccc(OC)c(C#N)c1)[C@H](C)COC ZINC000595638686 349685906 /nfs/dbraw/zinc/68/59/06/349685906.db2.gz LAUPROLJNPLPDA-CYBMUJFWSA-N 1 1 274.364 2.590 20 30 CFEDMO COCc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595621793 349679811 /nfs/dbraw/zinc/67/98/11/349679811.db2.gz YXFSGMJEYNSPLW-AWEZNQCLSA-N 1 1 258.365 2.959 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](CCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000595619640 349679866 /nfs/dbraw/zinc/67/98/66/349679866.db2.gz DWMVMXBVNZZVPM-CYBMUJFWSA-N 1 1 296.374 2.504 20 30 CFEDMO COCc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595621799 349679915 /nfs/dbraw/zinc/67/99/15/349679915.db2.gz YXFSGMJEYNSPLW-CQSZACIVSA-N 1 1 258.365 2.959 20 30 CFEDMO N#CC[C@H]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000595623212 349680483 /nfs/dbraw/zinc/68/04/83/349680483.db2.gz JXCIRQVWLDOKBS-QZTJIDSGSA-N 1 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C[C@]1(CN[C@@H]2CCCc3cc(C#N)ccc32)CCC[NH2+]C1 ZINC000591578176 349032055 /nfs/dbraw/zinc/03/20/55/349032055.db2.gz KJVMAVNXNCVUSJ-MSOLQXFVSA-N 1 1 283.419 2.915 20 30 CFEDMO C[C@H](N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(C#N)cc1 ZINC000591582585 349032453 /nfs/dbraw/zinc/03/24/53/349032453.db2.gz MUURPMRWTFMCQF-BBRMVZONSA-N 1 1 269.392 2.884 20 30 CFEDMO CC(C)n1cncc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000591629949 349035537 /nfs/dbraw/zinc/03/55/37/349035537.db2.gz GHRPIRUFMMVLQD-UHFFFAOYSA-N 1 1 272.327 2.765 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2)no1 ZINC000591664242 349037492 /nfs/dbraw/zinc/03/74/92/349037492.db2.gz ZSVZURGQGNIUOE-NSHDSACASA-N 1 1 260.272 2.569 20 30 CFEDMO C[N@H+]1C[C@@H](CNc2ncccc2C#N)[C@H](c2ccccc2)C1 ZINC000591985837 349070433 /nfs/dbraw/zinc/07/04/33/349070433.db2.gz OJNZKVZBXJBKQF-SJORKVTESA-N 1 1 292.386 2.711 20 30 CFEDMO N#Cc1cnccc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000592073376 349080005 /nfs/dbraw/zinc/08/00/05/349080005.db2.gz XKCIOSBBXRJJNZ-KRWDZBQOSA-N 1 1 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20 30 CFEDMO C[C@@H](CCC#N)C[NH+]1CCN(C2CCCCC2)CC1 ZINC000602438583 350882629 /nfs/dbraw/zinc/88/26/29/350882629.db2.gz SDKXXNGGMUBARO-HNNXBMFYSA-N 1 1 263.429 2.877 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)n1 ZINC000602454019 350889118 /nfs/dbraw/zinc/88/91/18/350889118.db2.gz NGTRWJVHABWANK-SFHVURJKSA-N 1 1 293.370 2.997 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000602473648 350896239 /nfs/dbraw/zinc/89/62/39/350896239.db2.gz CADBTUOMHJUDMQ-OLZOCXBDSA-N 1 1 266.385 2.590 20 30 CFEDMO Cc1cccc2c1OCC[C@H]2[NH2+]Cc1cccc(C#N)n1 ZINC000602642953 350958877 /nfs/dbraw/zinc/95/88/77/350958877.db2.gz JIWTVIFQTFGRKP-MRXNPFEDSA-N 1 1 279.343 2.875 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000602651382 350962271 /nfs/dbraw/zinc/96/22/71/350962271.db2.gz IGCYPLSRETXXPS-WMZOPIPTSA-N 1 1 285.435 2.785 20 30 CFEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)n2)[C@@H]2CCC[C@@H]21 ZINC000602675719 350972884 /nfs/dbraw/zinc/97/28/84/350972884.db2.gz ISGYIIJLVWQNEH-LSDHHAIUSA-N 1 1 255.365 2.964 20 30 CFEDMO C[C@H](CCC#N)CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000602677000 350973774 /nfs/dbraw/zinc/97/37/74/350973774.db2.gz PHSYCOUAGKNJIV-RHSMWYFYSA-N 1 1 287.407 2.605 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000602677718 350973790 /nfs/dbraw/zinc/97/37/90/350973790.db2.gz SGJQENFBWMXOGF-WBVHZDCISA-N 1 1 272.392 2.562 20 30 CFEDMO C=C(C)C[C@@H]([NH2+]C1CCC(F)(F)CC1)C(=O)OC ZINC000602737396 351008286 /nfs/dbraw/zinc/00/82/86/351008286.db2.gz ASALKLNZRQFGSM-LLVKDONJSA-N 1 1 261.312 2.662 20 30 CFEDMO C[C@H](CCC#N)CN1CC([N@H+](C)Cc2ccccc2)C1 ZINC000602690544 350980218 /nfs/dbraw/zinc/98/02/18/350980218.db2.gz NXNFQFVWRJVNMO-OAHLLOKOSA-N 1 1 271.408 2.742 20 30 CFEDMO C[C@H](CCC#N)CN1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000602690544 350980221 /nfs/dbraw/zinc/98/02/21/350980221.db2.gz NXNFQFVWRJVNMO-OAHLLOKOSA-N 1 1 271.408 2.742 20 30 CFEDMO CC[C@](C)(C(=O)OC)[N@@H+](C[C@H](C)CCC#N)CC1CC1 ZINC000602695440 350983345 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2.941 20 30 CFEDMO CC[N@H+]1CCN(CC#Cc2ccc(Cl)cc2)C[C@@H]1C ZINC000677196606 541835851 /nfs/dbraw/zinc/83/58/51/541835851.db2.gz UOUJYTOEJFKPGY-AWEZNQCLSA-N 1 1 276.811 2.718 20 30 CFEDMO CC[N@H+]1CCN(CC#Cc2ccc(Cl)cc2)C[C@H]1C ZINC000677196610 541836447 /nfs/dbraw/zinc/83/64/47/541836447.db2.gz UOUJYTOEJFKPGY-CQSZACIVSA-N 1 1 276.811 2.718 20 30 CFEDMO CCC[N@@H+](CC#CCOC)[C@H]1C[C@@H](OCC)C1(C)C ZINC000677480795 541864131 /nfs/dbraw/zinc/86/41/31/541864131.db2.gz VLRHDCPYAIEUFF-LSDHHAIUSA-N 1 1 267.413 2.552 20 30 CFEDMO COCC#CC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000677477270 541864883 /nfs/dbraw/zinc/86/48/83/541864883.db2.gz BLGRIZHYUXXWLE-GFCCVEGCSA-N 1 1 251.757 2.983 20 30 CFEDMO COc1ccccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000020040899 372221452 /nfs/dbraw/zinc/22/14/52/372221452.db2.gz KSDKNIMUXIIDMB-UHFFFAOYSA-N 1 1 270.307 2.996 20 30 CFEDMO CC[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccccc1C#N ZINC000034674493 372511926 /nfs/dbraw/zinc/51/19/26/372511926.db2.gz ATESIHOPWODGKY-CVEARBPZSA-N 1 1 288.391 2.562 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000034674142 372512506 /nfs/dbraw/zinc/51/25/06/372512506.db2.gz IUVAIFXSXANURZ-ZENOOKHLSA-N 1 1 258.365 2.570 20 30 CFEDMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000036834397 372601226 /nfs/dbraw/zinc/60/12/26/372601226.db2.gz GHSMZRZVILMSCY-LBPRGKRZSA-N 1 1 277.393 2.823 20 30 CFEDMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000036834397 372601228 /nfs/dbraw/zinc/60/12/28/372601228.db2.gz GHSMZRZVILMSCY-LBPRGKRZSA-N 1 1 277.393 2.823 20 30 CFEDMO C=CCOc1ccc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996342 372625606 /nfs/dbraw/zinc/62/56/06/372625606.db2.gz YCIXFZKIDIVVQR-ZWKOTPCHSA-N 1 1 286.419 2.968 20 30 CFEDMO C=CCOc1ccc(C[NH2+][C@H]2CCN3CCCC[C@H]23)cc1 ZINC000036996342 372625611 /nfs/dbraw/zinc/62/56/11/372625611.db2.gz YCIXFZKIDIVVQR-ZWKOTPCHSA-N 1 1 286.419 2.968 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000037110146 372651038 /nfs/dbraw/zinc/65/10/38/372651038.db2.gz DNQVPLIDQZYTSD-GFCCVEGCSA-N 1 1 259.353 2.617 20 30 CFEDMO C[C@H]([NH2+]Cc1ncc(Cl)n1C)c1ccc(C#N)cc1 ZINC000037749559 372697479 /nfs/dbraw/zinc/69/74/79/372697479.db2.gz VPXZGFIVLPFBKF-JTQLQIEISA-N 1 1 274.755 2.796 20 30 CFEDMO C[C@@H]([NH2+]Cc1ncc(Cl)n1C)c1ccc(C#N)cc1 ZINC000037749560 372697957 /nfs/dbraw/zinc/69/79/57/372697957.db2.gz VPXZGFIVLPFBKF-SNVBAGLBSA-N 1 1 274.755 2.796 20 30 CFEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c1 ZINC000451700533 383684994 /nfs/dbraw/zinc/68/49/94/383684994.db2.gz GLMAWECRZJTFEQ-FMKPAKJESA-N 1 1 288.366 2.680 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640043116 383686234 /nfs/dbraw/zinc/68/62/34/383686234.db2.gz BYVPXITXXDNZBA-GRYCIOLGSA-N 1 1 265.319 2.834 20 30 CFEDMO CCO[C@@H]1CCC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000042422300 372921863 /nfs/dbraw/zinc/92/18/63/372921863.db2.gz ZYXNZQQXEFBSOF-QGZVFWFLSA-N 1 1 288.391 2.828 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)ccc1F ZINC000451701394 383686913 /nfs/dbraw/zinc/68/69/13/383686913.db2.gz ZXFNEUFIBRVKBV-IIAWOOMASA-N 1 1 288.366 2.680 20 30 CFEDMO CC[N@H+]1CCC[C@@H](Nc2nc3c(cc2C#N)CCCC3)C1 ZINC000043409624 372989060 /nfs/dbraw/zinc/98/90/60/372989060.db2.gz KQFZMSHKOYDYDY-OAHLLOKOSA-N 1 1 284.407 2.728 20 30 CFEDMO C[N@@H+](CCc1ccncc1)Cc1cc(C#N)ccc1F ZINC000047867207 373121454 /nfs/dbraw/zinc/12/14/54/373121454.db2.gz IKRATJKHKSXUPU-UHFFFAOYSA-N 1 1 269.323 2.767 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1sccc1Cl ZINC000491179567 261362516 /nfs/dbraw/zinc/36/25/16/261362516.db2.gz GMGYJZDYXNMGBC-JTQLQIEISA-N 1 1 283.780 2.656 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1sccc1Cl ZINC000491179567 261362518 /nfs/dbraw/zinc/36/25/18/261362518.db2.gz GMGYJZDYXNMGBC-JTQLQIEISA-N 1 1 283.780 2.656 20 30 CFEDMO O=C(C[N@@H+]1CCC[C@H]1C1CCCC1)Nc1nncs1 ZINC000048839542 373226139 /nfs/dbraw/zinc/22/61/39/373226139.db2.gz LISRREDBYYUJOK-NSHDSACASA-N 1 1 280.397 2.781 20 30 CFEDMO O=C(C[N@H+]1CCC[C@H]1C1CCCC1)Nc1nncs1 ZINC000048839542 373226147 /nfs/dbraw/zinc/22/61/47/373226147.db2.gz LISRREDBYYUJOK-NSHDSACASA-N 1 1 280.397 2.781 20 30 CFEDMO Cc1occc1C[N@@H+](C)CCOc1ccccc1C#N ZINC000048755910 373217993 /nfs/dbraw/zinc/21/79/93/373217993.db2.gz GAOMDRZERFQPAU-UHFFFAOYSA-N 1 1 270.332 2.971 20 30 CFEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)C1CCCC1 ZINC000048391328 373175261 /nfs/dbraw/zinc/17/52/61/373175261.db2.gz NGHMNRQMAXCCJJ-UHFFFAOYSA-N 1 1 277.393 2.823 20 30 CFEDMO C[N@@H+](CC(=O)Nc1nncs1)C1CCCCCC1 ZINC000048561421 373200972 /nfs/dbraw/zinc/20/09/72/373200972.db2.gz CIYQPYZPNUOSSO-UHFFFAOYSA-N 1 1 268.386 2.781 20 30 CFEDMO CC[C@H]1CO[C@@H](C)C[N@H+]1CCCOc1cccc(C#N)c1 ZINC000048915008 373231629 /nfs/dbraw/zinc/23/16/29/373231629.db2.gz ZFPOQOLMOKZSTN-HOCLYGCPSA-N 1 1 288.391 2.826 20 30 CFEDMO CC[N@H+](Cc1ccncc1)C[C@H](O)c1ccc(C#N)cc1 ZINC000049024102 373250115 /nfs/dbraw/zinc/25/01/15/373250115.db2.gz VJYPKYDQZJCZAY-KRWDZBQOSA-N 1 1 281.359 2.509 20 30 CFEDMO CC[NH+](CC)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000049093523 373266134 /nfs/dbraw/zinc/26/61/34/373266134.db2.gz XXIZKTUHSWRTBL-UHFFFAOYSA-N 1 1 270.402 2.765 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CC1CCCC1 ZINC000049492003 373304816 /nfs/dbraw/zinc/30/48/16/373304816.db2.gz WSWYCGBQDXJRNP-XJKSGUPXSA-N 1 1 279.428 2.551 20 30 CFEDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](C)C#N ZINC000051770337 373410578 /nfs/dbraw/zinc/41/05/78/373410578.db2.gz MOQYJSAFJTYJEU-LBPRGKRZSA-N 1 1 262.353 2.685 20 30 CFEDMO CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](C)C#N ZINC000051770337 373410585 /nfs/dbraw/zinc/41/05/85/373410585.db2.gz MOQYJSAFJTYJEU-LBPRGKRZSA-N 1 1 262.353 2.685 20 30 CFEDMO COc1cc(C[NH2+]C[C@H](C)C#N)ccc1OC(C)C ZINC000054179786 373502174 /nfs/dbraw/zinc/50/21/74/373502174.db2.gz SSRBEZACUUNXKO-GFCCVEGCSA-N 1 1 262.353 2.732 20 30 CFEDMO CCOc1cc(C[NH2+][C@H](CC)CC#N)ccc1OC ZINC000054182861 373504316 /nfs/dbraw/zinc/50/43/16/373504316.db2.gz QFZDGCTXKMDYML-CYBMUJFWSA-N 1 1 262.353 2.876 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1cc2c(c(Cl)c1)OCO2 ZINC000054183344 373504642 /nfs/dbraw/zinc/50/46/42/373504642.db2.gz SPOZHIDVPMMZOT-SNVBAGLBSA-N 1 1 266.728 2.851 20 30 CFEDMO CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(C#N)CC1 ZINC000057906786 373618979 /nfs/dbraw/zinc/61/89/79/373618979.db2.gz QZDZZVBSGIPQKW-QGZVFWFLSA-N 1 1 299.418 2.832 20 30 CFEDMO CC[N@@H+](CCC(=O)NC(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000060469678 373696509 /nfs/dbraw/zinc/69/65/09/373696509.db2.gz QSDIMFUWKJYRCR-CQSZACIVSA-N 1 1 287.407 2.856 20 30 CFEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](C)c1ccccc1 ZINC000060476698 373697004 /nfs/dbraw/zinc/69/70/04/373697004.db2.gz HBBXPGJGAXXSRB-AWEZNQCLSA-N 1 1 258.365 2.538 20 30 CFEDMO CC[C@@H]1C[N@@H+](CC)CCN1Cc1cccc(C#N)c1F ZINC000451737215 383694631 /nfs/dbraw/zinc/69/46/31/383694631.db2.gz GNADRDACXCJRLY-OAHLLOKOSA-N 1 1 275.371 2.613 20 30 CFEDMO N#Cc1ccccc1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000063199776 373797218 /nfs/dbraw/zinc/79/72/18/373797218.db2.gz FSHQKKCJKOCIMC-KRWDZBQOSA-N 1 1 269.392 2.522 20 30 CFEDMO CCN(C[C@@H](C)C#N)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431759603 383695418 /nfs/dbraw/zinc/69/54/18/383695418.db2.gz PLVUFWHOMRUEDX-GOEBONIOSA-N 1 1 291.439 2.792 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)Nc1cc(C)on1 ZINC000068334432 374027914 /nfs/dbraw/zinc/02/79/14/374027914.db2.gz UUDCNORXAOBOMJ-UHFFFAOYSA-N 1 1 299.374 2.652 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)Nc1cc(C)on1 ZINC000068334432 374027919 /nfs/dbraw/zinc/02/79/19/374027919.db2.gz UUDCNORXAOBOMJ-UHFFFAOYSA-N 1 1 299.374 2.652 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](C)CC1 ZINC000068830751 374040998 /nfs/dbraw/zinc/04/09/98/374040998.db2.gz NNOAPATZEIKLCQ-AWEZNQCLSA-N 1 1 252.402 2.533 20 30 CFEDMO CC[C@@H](C)NC(=[NH2+])NC[C@@H](c1ccccc1)N1CCCC1 ZINC000264110318 383696707 /nfs/dbraw/zinc/69/67/07/383696707.db2.gz OPFSVJHNEDZOGK-ZBFHGGJFSA-N 1 1 288.439 2.526 20 30 CFEDMO C[C@@H]1CSCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000070219830 374148293 /nfs/dbraw/zinc/14/82/93/374148293.db2.gz QPTWJPOMAQVYMB-SNVBAGLBSA-N 1 1 250.342 2.635 20 30 CFEDMO C[C@@H]1CSCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000070219830 374148298 /nfs/dbraw/zinc/14/82/98/374148298.db2.gz QPTWJPOMAQVYMB-SNVBAGLBSA-N 1 1 250.342 2.635 20 30 CFEDMO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@H](C)S1 ZINC000070383205 374170151 /nfs/dbraw/zinc/17/01/51/374170151.db2.gz FZJXGRNCCTVENL-BETUJISGSA-N 1 1 276.405 2.763 20 30 CFEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072553341 374264619 /nfs/dbraw/zinc/26/46/19/374264619.db2.gz VOUUHRXOKXVBKD-UHFFFAOYSA-N 1 1 291.351 2.740 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072553341 374264626 /nfs/dbraw/zinc/26/46/26/374264626.db2.gz VOUUHRXOKXVBKD-UHFFFAOYSA-N 1 1 291.351 2.740 20 30 CFEDMO COCC#CC[N@@H+](C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000677818215 541910077 /nfs/dbraw/zinc/91/00/77/541910077.db2.gz HNXLQDJFJZEPSN-ZWKOTPCHSA-N 1 1 287.403 2.736 20 30 CFEDMO COCC#CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000677819928 541911368 /nfs/dbraw/zinc/91/13/68/541911368.db2.gz DGYOXADHTNJLQZ-DOTOQJQBSA-N 1 1 257.377 2.762 20 30 CFEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@](C)(CC)C1 ZINC000072802641 374286422 /nfs/dbraw/zinc/28/64/22/374286422.db2.gz PNODUBXBMMBIBS-HOCLYGCPSA-N 1 1 279.428 2.507 20 30 CFEDMO CCOC[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000072976568 374310526 /nfs/dbraw/zinc/31/05/26/374310526.db2.gz ZKGUKVVULCVDBK-INIZCTEOSA-N 1 1 258.365 2.807 20 30 CFEDMO C[C@H](C1CC1)[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000073779284 374382986 /nfs/dbraw/zinc/38/29/86/374382986.db2.gz JCONYAYRAQKENI-SNVBAGLBSA-N 1 1 291.782 2.880 20 30 CFEDMO N#Cc1cc(F)ccc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000334145587 206074723 /nfs/dbraw/zinc/07/47/23/206074723.db2.gz MEDDGAGUCJPSHX-UHFFFAOYSA-N 1 1 284.338 2.800 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(C(=O)/C=C\c2cccc(C#N)c2)C[C@H]1C ZINC000492293582 246247779 /nfs/dbraw/zinc/24/77/79/246247779.db2.gz FYLCRZKEFOCTOX-AYPKIECRSA-N 1 1 297.402 2.513 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CCCC#N ZINC000077371538 374562859 /nfs/dbraw/zinc/56/28/59/374562859.db2.gz JUZFOVOZUJDODO-INIZCTEOSA-N 1 1 271.408 2.887 20 30 CFEDMO C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCCC#N ZINC000077371538 374562865 /nfs/dbraw/zinc/56/28/65/374562865.db2.gz JUZFOVOZUJDODO-INIZCTEOSA-N 1 1 271.408 2.887 20 30 CFEDMO C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CCCC#N ZINC000077371538 374562874 /nfs/dbraw/zinc/56/28/74/374562874.db2.gz JUZFOVOZUJDODO-INIZCTEOSA-N 1 1 271.408 2.887 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)N(CC(F)(F)F)C(C)C ZINC000076734268 374556244 /nfs/dbraw/zinc/55/62/44/374556244.db2.gz DPKRDVYLLIEBCW-UHFFFAOYSA-N 1 1 280.334 2.684 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000078538773 374569519 /nfs/dbraw/zinc/56/95/19/374569519.db2.gz HKIWKXODXMLNJF-LZWOXQAQSA-N 1 1 279.428 2.551 20 30 CFEDMO COCC[N@H+](Cc1ccc(OC)c(C#N)c1)CC(C)C ZINC000087833269 374833870 /nfs/dbraw/zinc/83/38/70/374833870.db2.gz FYEYWBMSHCQLTD-UHFFFAOYSA-N 1 1 276.380 2.671 20 30 CFEDMO C[N@@H+](CCOc1ccc(C#N)cc1)[C@H](CO)CC(C)(C)C ZINC000451779269 383704418 /nfs/dbraw/zinc/70/44/18/383704418.db2.gz LFHCUOXEJLELQO-HNNXBMFYSA-N 1 1 290.407 2.666 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000335994537 296225468 /nfs/dbraw/zinc/22/54/68/296225468.db2.gz RBMGMWNXQOLPOM-WMLDXEAASA-N 1 1 297.402 2.706 20 30 CFEDMO CC[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@H](C)C#N ZINC000091982421 375077463 /nfs/dbraw/zinc/07/74/63/375077463.db2.gz LTUBHNRXFRXKJT-CQSZACIVSA-N 1 1 268.364 2.854 20 30 CFEDMO CC[N@H+](Cc1cccc(-n2cccn2)c1)C[C@H](C)C#N ZINC000091982421 375077470 /nfs/dbraw/zinc/07/74/70/375077470.db2.gz LTUBHNRXFRXKJT-CQSZACIVSA-N 1 1 268.364 2.854 20 30 CFEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)CC(C)(C)C ZINC000092217631 375096491 /nfs/dbraw/zinc/09/64/91/375096491.db2.gz LHNPBUQUZYIDBQ-UHFFFAOYSA-N 1 1 256.353 2.684 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000092224124 375098475 /nfs/dbraw/zinc/09/84/75/375098475.db2.gz TWSJOFMPKPBNKK-MRXNPFEDSA-N 1 1 287.407 2.665 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](CC)c1ccncc1 ZINC000092224124 375098481 /nfs/dbraw/zinc/09/84/81/375098481.db2.gz TWSJOFMPKPBNKK-MRXNPFEDSA-N 1 1 287.407 2.665 20 30 CFEDMO Cc1noc([C@H]2CCC[N@@H+](CC(C)(C)CCC#N)C2)n1 ZINC000091833487 375063895 /nfs/dbraw/zinc/06/38/95/375063895.db2.gz JZVZMONADPZHCA-ZDUSSCGKSA-N 1 1 276.384 2.887 20 30 CFEDMO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000092708642 375141639 /nfs/dbraw/zinc/14/16/39/375141639.db2.gz XMWSOHPZONJBMP-CYBMUJFWSA-N 1 1 291.420 2.500 20 30 CFEDMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000092708642 375141644 /nfs/dbraw/zinc/14/16/44/375141644.db2.gz XMWSOHPZONJBMP-CYBMUJFWSA-N 1 1 291.420 2.500 20 30 CFEDMO CC[C@H](C)[C@@H](C)[N@@H+](CCC(=O)N(C)CCC#N)C1CC1 ZINC000092796221 375156679 /nfs/dbraw/zinc/15/66/79/375156679.db2.gz RJWQTYPTJSUJIJ-UONOGXRCSA-N 1 1 279.428 2.648 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000092967866 375169981 /nfs/dbraw/zinc/16/99/81/375169981.db2.gz DOYGSSXQILZFBF-QGZVFWFLSA-N 1 1 295.386 2.732 20 30 CFEDMO C=CCCCCC[N@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000093497984 375255968 /nfs/dbraw/zinc/25/59/68/375255968.db2.gz CXQVIKOVQHMOGL-UHFFFAOYSA-N 1 1 277.412 2.895 20 30 CFEDMO C[C@H](O)CC[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000093481359 375253107 /nfs/dbraw/zinc/25/31/07/375253107.db2.gz ISERYXMPRQBPIF-AWEZNQCLSA-N 1 1 276.380 2.572 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](COC)C2)cc1 ZINC000093337833 375215706 /nfs/dbraw/zinc/21/57/06/375215706.db2.gz IIARBYZUTGTTAV-MRXNPFEDSA-N 1 1 273.376 2.557 20 30 CFEDMO CC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000097205680 375538413 /nfs/dbraw/zinc/53/84/13/375538413.db2.gz YHYNPWXXSIBXQC-UHFFFAOYSA-N 1 1 277.755 2.634 20 30 CFEDMO CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1C#N)C1CC1 ZINC000097205680 375538419 /nfs/dbraw/zinc/53/84/19/375538419.db2.gz YHYNPWXXSIBXQC-UHFFFAOYSA-N 1 1 277.755 2.634 20 30 CFEDMO C=CCNC(=O)C[N@H+](Cc1ccc(C)c(C)c1)C1CC1 ZINC000097493555 375566605 /nfs/dbraw/zinc/56/66/05/375566605.db2.gz RNPDXEMJKXNNTR-UHFFFAOYSA-N 1 1 272.392 2.570 20 30 CFEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)CCC1CCCCC1 ZINC000101565657 375641812 /nfs/dbraw/zinc/64/18/12/375641812.db2.gz JTWQZFJKCSABTG-HNNXBMFYSA-N 1 1 293.455 2.897 20 30 CFEDMO COCC[N@@H+](CCCCC#N)Cc1ccc(C#N)cc1 ZINC000102399007 375671813 /nfs/dbraw/zinc/67/18/13/375671813.db2.gz GDXPYDVJDFNMFA-UHFFFAOYSA-N 1 1 271.364 2.701 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)c(F)c1 ZINC000102410006 375672316 /nfs/dbraw/zinc/67/23/16/375672316.db2.gz PZJXZIBLNJAVAZ-HNNXBMFYSA-N 1 1 284.338 2.731 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](n3cccn3)C2)c(F)c1 ZINC000102410006 375672326 /nfs/dbraw/zinc/67/23/26/375672326.db2.gz PZJXZIBLNJAVAZ-HNNXBMFYSA-N 1 1 284.338 2.731 20 30 CFEDMO COCC#CC[N@@H+]1CC=C(c2cccc(C)c2)CC1 ZINC000678465950 542030079 /nfs/dbraw/zinc/03/00/79/542030079.db2.gz JYDFUZNQDRAUJA-UHFFFAOYSA-N 1 1 255.361 2.734 20 30 CFEDMO CC[N@@H+](CCC(=O)Nc1ccc(OC)cc1)C[C@@H](C)C#N ZINC000103469580 375749215 /nfs/dbraw/zinc/74/92/15/375749215.db2.gz CMEJPRXPQKZMJU-ZDUSSCGKSA-N 1 1 289.379 2.505 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CCc2nnc(NC)cc2C1 ZINC000678715342 542060354 /nfs/dbraw/zinc/06/03/54/542060354.db2.gz NUEBMZSZAXBHCI-GFCCVEGCSA-N 1 1 260.385 2.621 20 30 CFEDMO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000107829727 375810187 /nfs/dbraw/zinc/81/01/87/375810187.db2.gz WSSJGCPUTREPSN-CHWSQXEVSA-N 1 1 286.335 2.505 20 30 CFEDMO C#CC[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000108374595 375815361 /nfs/dbraw/zinc/81/53/61/375815361.db2.gz ABZBBQIVPOYYHO-UHFFFAOYSA-N 1 1 271.339 2.713 20 30 CFEDMO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)NC1CCCC1 ZINC000109813680 375823308 /nfs/dbraw/zinc/82/33/08/375823308.db2.gz UNIDYGYWPWQHBO-UHFFFAOYSA-N 1 1 279.428 2.697 20 30 CFEDMO CC(C)(C)C[N@@H+](CCCO)Cc1ccccc1C#N ZINC000112567553 375932023 /nfs/dbraw/zinc/93/20/23/375932023.db2.gz KZWVPSIWTLJQEH-UHFFFAOYSA-N 1 1 260.381 2.789 20 30 CFEDMO CC[C@H]1CCCC[N@H+]1CCNCc1cccc(C#N)c1 ZINC000113345614 376011622 /nfs/dbraw/zinc/01/16/22/376011622.db2.gz IIZFWHZGTRYXCQ-KRWDZBQOSA-N 1 1 271.408 2.912 20 30 CFEDMO CC[C@H]1CCCCN1CC[NH2+]Cc1cccc(C#N)c1 ZINC000113345614 376011629 /nfs/dbraw/zinc/01/16/29/376011629.db2.gz IIZFWHZGTRYXCQ-KRWDZBQOSA-N 1 1 271.408 2.912 20 30 CFEDMO Cc1[nH+]cn(Cc2cn3ccccc3c2C#N)c1C ZINC000113506189 376021918 /nfs/dbraw/zinc/02/19/18/376021918.db2.gz QIGFJDHDOVBRQR-UHFFFAOYSA-N 1 1 250.305 2.673 20 30 CFEDMO CCOC[C@@H]1CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000113935684 376042317 /nfs/dbraw/zinc/04/23/17/376042317.db2.gz DQFBEESRCJXTSI-OAHLLOKOSA-N 1 1 288.391 2.686 20 30 CFEDMO CC(C)[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000115545283 376137217 /nfs/dbraw/zinc/13/72/17/376137217.db2.gz SMYZNFBJLGLQIO-RDJZCZTQSA-N 1 1 299.418 2.843 20 30 CFEDMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118390434 376290504 /nfs/dbraw/zinc/29/05/04/376290504.db2.gz NTUYOERLUVCGFU-BBRMVZONSA-N 1 1 286.375 2.894 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C)CC1 ZINC000119686933 376451837 /nfs/dbraw/zinc/45/18/37/376451837.db2.gz ZLSJQXJUCMHEQT-CABCVRRESA-N 1 1 264.413 2.698 20 30 CFEDMO CN(C)CC[N@@H+](Cc1cccc(C#N)c1)C1CCCC1 ZINC000119724768 376461343 /nfs/dbraw/zinc/46/13/43/376461343.db2.gz ZXUBZPHELSNAEJ-UHFFFAOYSA-N 1 1 271.408 2.864 20 30 CFEDMO C[NH+](C)CCN(Cc1cccc(C#N)c1)C1CCCC1 ZINC000119724768 376461346 /nfs/dbraw/zinc/46/13/46/376461346.db2.gz ZXUBZPHELSNAEJ-UHFFFAOYSA-N 1 1 271.408 2.864 20 30 CFEDMO C=CCCC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000264007982 190088518 /nfs/dbraw/zinc/08/85/18/190088518.db2.gz UMAHPTVFNONLGL-UHFFFAOYSA-N 1 1 272.392 2.687 20 30 CFEDMO CC(C)CO[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000119977663 376519522 /nfs/dbraw/zinc/51/95/22/376519522.db2.gz OYQUQPOHDHJYIA-KRWDZBQOSA-N 1 1 288.391 2.684 20 30 CFEDMO CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000264211301 190096769 /nfs/dbraw/zinc/09/67/69/190096769.db2.gz SMOHOUUYSXOHJC-INIZCTEOSA-N 1 1 299.418 2.685 20 30 CFEDMO N#CCCCCN1CC[NH+](CCc2ccccc2)CC1 ZINC000120074580 376540225 /nfs/dbraw/zinc/54/02/25/376540225.db2.gz GRUZMUSSBLTATD-UHFFFAOYSA-N 1 1 271.408 2.541 20 30 CFEDMO C[N@@H+](CCOc1cccc(C#N)c1)CCC1CCOCC1 ZINC000120392251 376606020 /nfs/dbraw/zinc/60/60/20/376606020.db2.gz JATSRWOOOTUERW-UHFFFAOYSA-N 1 1 288.391 2.686 20 30 CFEDMO C[C@H](O)[C@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000264370454 190105640 /nfs/dbraw/zinc/10/56/40/190105640.db2.gz AVKFOLWSKDCCQT-XJKSGUPXSA-N 1 1 283.375 2.546 20 30 CFEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCOC1 ZINC000120430858 376615507 /nfs/dbraw/zinc/61/55/07/376615507.db2.gz SHSIQFSHFMVBHZ-ZDUSSCGKSA-N 1 1 262.328 2.556 20 30 CFEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1c(C)noc1C ZINC000121281253 376797667 /nfs/dbraw/zinc/79/76/67/376797667.db2.gz CDCICCNDHOQISO-CYBMUJFWSA-N 1 1 259.309 2.997 20 30 CFEDMO Cc1ccccc1OCC[N@H+](C)Cc1ccc(C#N)o1 ZINC000121535243 376852685 /nfs/dbraw/zinc/85/26/85/376852685.db2.gz FFDMSWZWNZLISK-UHFFFAOYSA-N 1 1 270.332 2.971 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000123715061 376971882 /nfs/dbraw/zinc/97/18/82/376971882.db2.gz BPEDFMHXJOEVOZ-MSOLQXFVSA-N 1 1 289.419 2.995 20 30 CFEDMO N#CCC[N@H+](CCCC1CCCC1)CCN1CCOCC1 ZINC000122246435 376924644 /nfs/dbraw/zinc/92/46/44/376924644.db2.gz ZVARCUBMSOSOHQ-UHFFFAOYSA-N 1 1 293.455 2.505 20 30 CFEDMO N#CCC[N@@H+](CCCC1CCCC1)CCN1CCOCC1 ZINC000122246435 376924649 /nfs/dbraw/zinc/92/46/49/376924649.db2.gz ZVARCUBMSOSOHQ-UHFFFAOYSA-N 1 1 293.455 2.505 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000123500816 376954023 /nfs/dbraw/zinc/95/40/23/376954023.db2.gz TZHPABZANVDAHH-KRWDZBQOSA-N 1 1 274.408 2.526 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000123501069 376954987 /nfs/dbraw/zinc/95/49/87/376954987.db2.gz TZHPABZANVDAHH-QGZVFWFLSA-N 1 1 274.408 2.526 20 30 CFEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000123682489 376967763 /nfs/dbraw/zinc/96/77/63/376967763.db2.gz GZPHRIQPCADLDX-KGLIPLIRSA-N 1 1 252.402 2.942 20 30 CFEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000123937301 376997247 /nfs/dbraw/zinc/99/72/47/376997247.db2.gz FVJMFICLNUZIHK-OAHLLOKOSA-N 1 1 286.419 2.858 20 30 CFEDMO N#Cc1ccc(C[N@H+](Cc2ccno2)C2CC2)cc1 ZINC000264743012 190131936 /nfs/dbraw/zinc/13/19/36/190131936.db2.gz UPLLWTNOMFVVQD-UHFFFAOYSA-N 1 1 253.305 2.711 20 30 CFEDMO N#Cc1ccc(C[N@@H+](Cc2ccno2)C2CC2)cc1 ZINC000264743012 190131937 /nfs/dbraw/zinc/13/19/37/190131937.db2.gz UPLLWTNOMFVVQD-UHFFFAOYSA-N 1 1 253.305 2.711 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+](Cc1cccc(O)c1)CC1CC1 ZINC000124857597 377097711 /nfs/dbraw/zinc/09/77/11/377097711.db2.gz AVHDQSASLSDTDU-QGZVFWFLSA-N 1 1 275.392 2.931 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](CC)C2)cc1 ZINC000125499428 377163769 /nfs/dbraw/zinc/16/37/69/377163769.db2.gz BRKJVQWKWGIZIH-HNNXBMFYSA-N 1 1 261.365 2.862 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CCO[C@@H](CC)C2)cc1 ZINC000125499428 377163777 /nfs/dbraw/zinc/16/37/77/377163777.db2.gz BRKJVQWKWGIZIH-HNNXBMFYSA-N 1 1 261.365 2.862 20 30 CFEDMO C#CC[N@H+](Cc1ccc(F)cc1)CC1CCOCC1 ZINC000264804176 190135706 /nfs/dbraw/zinc/13/57/06/190135706.db2.gz HJCKMDLPFWZWJU-UHFFFAOYSA-N 1 1 261.340 2.688 20 30 CFEDMO C=CCC(C)(C)CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000432079749 383719654 /nfs/dbraw/zinc/71/96/54/383719654.db2.gz NTODCALSYLWALH-KBPBESRZSA-N 1 1 279.428 2.515 20 30 CFEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)NCCc1ccccc1C ZINC000125937766 377203300 /nfs/dbraw/zinc/20/33/00/377203300.db2.gz XTAHLORFMRVTDK-MRXNPFEDSA-N 1 1 288.435 2.940 20 30 CFEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)NCc1ccccc1F ZINC000125953710 377204520 /nfs/dbraw/zinc/20/45/20/377204520.db2.gz GAYQWDYUMBXVEA-ZDUSSCGKSA-N 1 1 278.371 2.728 20 30 CFEDMO C=CCCCCCN(C)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000127344810 377274976 /nfs/dbraw/zinc/27/49/76/377274976.db2.gz SUQHUAURVQQVOC-GJZGRUSLSA-N 1 1 293.455 2.999 20 30 CFEDMO 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/nfs/dbraw/zinc/10/09/12/383100912.db2.gz SGLHPRGHCJEQHO-MJBXVCDLSA-N 1 1 266.429 2.681 20 30 CFEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C[C@H]1CCC[C@H]1O ZINC000246761214 383101740 /nfs/dbraw/zinc/10/17/40/383101740.db2.gz OVYXUFXCDPMIRL-GDBMZVCRSA-N 1 1 277.795 2.784 20 30 CFEDMO CC[N@H+](CCC#N)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000496479235 383106553 /nfs/dbraw/zinc/10/65/53/383106553.db2.gz HGNLTJKBCCFIIN-UHFFFAOYSA-N 1 1 281.400 2.527 20 30 CFEDMO CC[N@@H+](CCC#N)CC1(CNC(=O)OC(C)(C)C)CC1 ZINC000496479235 383106556 /nfs/dbraw/zinc/10/65/56/383106556.db2.gz HGNLTJKBCCFIIN-UHFFFAOYSA-N 1 1 281.400 2.527 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c(F)c1 ZINC000246812643 383107478 /nfs/dbraw/zinc/10/74/78/383107478.db2.gz RXPFUUVQJQEKEH-HOCLYGCPSA-N 1 1 274.339 2.698 20 30 CFEDMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000496492409 383108197 /nfs/dbraw/zinc/10/81/97/383108197.db2.gz BFRXHCZKFCSIJL-CQSZACIVSA-N 1 1 295.427 2.917 20 30 CFEDMO COC(=O)c1cccc(C[N@@H+](C)[C@@H]2CC[C@H](C)C2)c1C#N ZINC000584506375 383108543 /nfs/dbraw/zinc/10/85/43/383108543.db2.gz YATTWKFWEIHKHJ-GXTWGEPZSA-N 1 1 286.375 2.965 20 30 CFEDMO C[C@H]1CC[N@@H+](CCCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000496511000 383109796 /nfs/dbraw/zinc/10/97/96/383109796.db2.gz GYIVYEWZDBPVDX-UONOGXRCSA-N 1 1 295.427 2.773 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000496541044 383113500 /nfs/dbraw/zinc/11/35/00/383113500.db2.gz YBRKPNKTEUJQMW-ZDUSSCGKSA-N 1 1 281.400 2.621 20 30 CFEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000246905248 383118725 /nfs/dbraw/zinc/11/87/25/383118725.db2.gz RSIQMRWTYPTHCQ-GDBMZVCRSA-N 1 1 268.364 2.616 20 30 CFEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000246905248 383118729 /nfs/dbraw/zinc/11/87/29/383118729.db2.gz RSIQMRWTYPTHCQ-GDBMZVCRSA-N 1 1 268.364 2.616 20 30 CFEDMO C=CC[N@@H+](C[C@H]1CN(c2ccccc2)CCO1)C1CC1 ZINC000564584920 383170913 /nfs/dbraw/zinc/17/09/13/383170913.db2.gz LHOWNWFATLKYCG-KRWDZBQOSA-N 1 1 272.392 2.542 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)C[C@H](C)CC ZINC000247454542 383173624 /nfs/dbraw/zinc/17/36/24/383173624.db2.gz DYKBETGWMIJUJV-ZIAGYGMSSA-N 1 1 252.402 2.553 20 30 CFEDMO COc1ccc2c(c1)OCC[N@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000339175277 383176306 /nfs/dbraw/zinc/17/63/06/383176306.db2.gz QBXKDCWYOPVXCR-GXTWGEPZSA-N 1 1 272.348 2.582 20 30 CFEDMO COc1ccc2c(c1)OCC[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC000339175277 383176307 /nfs/dbraw/zinc/17/63/07/383176307.db2.gz QBXKDCWYOPVXCR-GXTWGEPZSA-N 1 1 272.348 2.582 20 30 CFEDMO C=CC1CCN(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000247493668 383178136 /nfs/dbraw/zinc/17/81/36/383178136.db2.gz MEJQMVCMJNXIPV-LSDHHAIUSA-N 1 1 293.455 2.714 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CC#N)c2)[C@@H](C)C1 ZINC000247495911 383178580 /nfs/dbraw/zinc/17/85/80/383178580.db2.gz UQHINMJEKXNCEO-WMLDXEAASA-N 1 1 299.418 2.555 20 30 CFEDMO C=CC[NH+]1CCC(NCc2cc(F)cc(OC)c2)CC1 ZINC000449122044 383180095 /nfs/dbraw/zinc/18/00/95/383180095.db2.gz KFCXRJQGDHXXCY-UHFFFAOYSA-N 1 1 278.371 2.574 20 30 CFEDMO C=C(CC)C[N@H+](CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000565720376 383181177 /nfs/dbraw/zinc/18/11/77/383181177.db2.gz PUFYCFWPTKJHRL-UHFFFAOYSA-N 1 1 283.412 2.775 20 30 CFEDMO C=C(CC)C[N@@H+](CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000565720376 383181183 /nfs/dbraw/zinc/18/11/83/383181183.db2.gz PUFYCFWPTKJHRL-UHFFFAOYSA-N 1 1 283.412 2.775 20 30 CFEDMO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CCC#N)CC1 ZINC000566276231 383185415 /nfs/dbraw/zinc/18/54/15/383185415.db2.gz KFGFYCKBOWCRFI-MRXNPFEDSA-N 1 1 291.439 2.792 20 30 CFEDMO CSC[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000517573103 383185440 /nfs/dbraw/zinc/18/54/40/383185440.db2.gz WMIWZFCQAVAWHU-ZDUSSCGKSA-N 1 1 291.376 2.794 20 30 CFEDMO CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC(CCC#N)CC1 ZINC000566276230 383185498 /nfs/dbraw/zinc/18/54/98/383185498.db2.gz KFGFYCKBOWCRFI-INIZCTEOSA-N 1 1 291.439 2.792 20 30 CFEDMO C=CCN1CCC([NH2+]Cc2cc(OC)ccc2F)CC1 ZINC000339242427 383185989 /nfs/dbraw/zinc/18/59/89/383185989.db2.gz KVQMNVONUZZVNR-UHFFFAOYSA-N 1 1 278.371 2.574 20 30 CFEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+](C)CC(C)(C)C ZINC000339258682 383187097 /nfs/dbraw/zinc/18/70/97/383187097.db2.gz XTHKYJAAFNXZNV-ZDUSSCGKSA-N 1 1 279.428 2.695 20 30 CFEDMO C=CCC[C@@H](O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000247652145 383188873 /nfs/dbraw/zinc/18/88/73/383188873.db2.gz WPDHWAAOULQTKV-ZWKOTPCHSA-N 1 1 294.483 2.902 20 30 CFEDMO C=C(C)[C@@H](CC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)OCC ZINC000339362865 383191946 /nfs/dbraw/zinc/19/19/46/383191946.db2.gz SCPMRTXCEPFJNE-OWCLPIDISA-N 1 1 296.455 2.737 20 30 CFEDMO C=C(C)[C@H](CC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)OCC ZINC000339422243 383196212 /nfs/dbraw/zinc/19/62/12/383196212.db2.gz UKIIYVRBGDSHCP-PMPSAXMXSA-N 1 1 296.455 2.594 20 30 CFEDMO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cncs1 ZINC000518440789 383197343 /nfs/dbraw/zinc/19/73/43/383197343.db2.gz AQXOZVLMADEDFR-UHFFFAOYSA-N 1 1 287.388 2.663 20 30 CFEDMO C[N@@H+](CCOCc1ccc(C#N)cc1)Cc1cncs1 ZINC000518440789 383197348 /nfs/dbraw/zinc/19/73/48/383197348.db2.gz AQXOZVLMADEDFR-UHFFFAOYSA-N 1 1 287.388 2.663 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339438575 383198192 /nfs/dbraw/zinc/19/81/92/383198192.db2.gz PIJIQTRDNSVGIQ-DGCLKSJQSA-N 1 1 295.345 2.745 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339438575 383198196 /nfs/dbraw/zinc/19/81/96/383198196.db2.gz PIJIQTRDNSVGIQ-DGCLKSJQSA-N 1 1 295.345 2.745 20 30 CFEDMO CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000566732614 383206269 /nfs/dbraw/zinc/20/62/69/383206269.db2.gz DVFRKGULZUCMLT-WWGRRREGSA-N 1 1 289.354 2.935 20 30 CFEDMO CCN1CCC([NH2+]Cc2ccc(C#N)c(Cl)c2)CC1 ZINC000619755925 383147640 /nfs/dbraw/zinc/14/76/40/383147640.db2.gz ZFVXUFGYPJEIMK-UHFFFAOYSA-N 1 1 277.799 2.786 20 30 CFEDMO CC(=O)N1CC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c2ccccc21 ZINC000555751643 383148915 /nfs/dbraw/zinc/14/89/15/383148915.db2.gz IINNNVQZCJLRQR-GOEBONIOSA-N 1 1 296.374 2.517 20 30 CFEDMO C=CCCCC[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000556195458 383150981 /nfs/dbraw/zinc/15/09/81/383150981.db2.gz CSPRJTJXXWXYKL-MRXNPFEDSA-N 1 1 272.392 2.906 20 30 CFEDMO CC#CCC[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000556533871 383151595 /nfs/dbraw/zinc/15/15/95/383151595.db2.gz NXDOSDWGFZBQOY-UHFFFAOYSA-N 1 1 278.346 2.890 20 30 CFEDMO CCc1ccc([C@H](C[NH2+]C[C@@H](C#N)CCC#N)N(C)C)cc1 ZINC000556481490 383151865 /nfs/dbraw/zinc/15/18/65/383151865.db2.gz NYDOHOPRAVGZDV-AEFFLSMTSA-N 1 1 298.434 2.885 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000561916965 383155558 /nfs/dbraw/zinc/15/55/58/383155558.db2.gz IIVBKGWNOARYMR-SOLBZPMBSA-N 1 1 291.435 2.800 20 30 CFEDMO C=CCC[C@@H]([NH2+]C1CCC2(CCCO2)CC1)C(=O)OCC ZINC000514839937 383155727 /nfs/dbraw/zinc/15/57/27/383155727.db2.gz JVKULNCXYXRAIG-ISXOHVOVSA-N 1 1 295.423 2.966 20 30 CFEDMO COc1ccccc1[C@@H](CO)[NH2+]CC#Cc1ccc(F)cc1 ZINC000514809481 383155881 /nfs/dbraw/zinc/15/58/81/383155881.db2.gz GQEVZQZGGMUJBJ-QGZVFWFLSA-N 1 1 299.345 2.509 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000515070043 383157674 /nfs/dbraw/zinc/15/76/74/383157674.db2.gz WYYHNZUZYHOMBP-QGZVFWFLSA-N 1 1 286.419 2.933 20 30 CFEDMO C=CCCCC[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000515206664 383158660 /nfs/dbraw/zinc/15/86/60/383158660.db2.gz NBAKSLLSDKJTDJ-CQSZACIVSA-N 1 1 266.429 2.956 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000562501854 383159183 /nfs/dbraw/zinc/15/91/83/383159183.db2.gz KIWAOYIOLJXGPQ-HUUCEWRRSA-N 1 1 296.455 2.546 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000562501854 383159190 /nfs/dbraw/zinc/15/91/90/383159190.db2.gz KIWAOYIOLJXGPQ-HUUCEWRRSA-N 1 1 296.455 2.546 20 30 CFEDMO C=CCC1(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CCCC1 ZINC000562520970 383159469 /nfs/dbraw/zinc/15/94/69/383159469.db2.gz DKZXYHCQLVOXQN-AWEZNQCLSA-N 1 1 264.413 2.581 20 30 CFEDMO C=CCCCC[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000562542297 383160395 /nfs/dbraw/zinc/16/03/95/383160395.db2.gz QGABQRABXXCFPT-OAHLLOKOSA-N 1 1 253.386 2.613 20 30 CFEDMO C=CCOCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000339147628 383166646 /nfs/dbraw/zinc/16/66/46/383166646.db2.gz JFXJVCOJAYPBGZ-YYIAUSFCSA-N 1 1 281.440 2.841 20 30 CFEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cn2)[C@@H]2CCC[C@@H]21 ZINC000567245960 383255076 /nfs/dbraw/zinc/25/50/76/383255076.db2.gz BQWANAMTHZTZNR-LSDHHAIUSA-N 1 1 255.365 2.964 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](F)C2)cc1OC ZINC000449388166 383256282 /nfs/dbraw/zinc/25/62/82/383256282.db2.gz OIQVMHGNFWZGEU-CYBMUJFWSA-N 1 1 265.328 2.804 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1OC ZINC000449388166 383256291 /nfs/dbraw/zinc/25/62/91/383256291.db2.gz OIQVMHGNFWZGEU-CYBMUJFWSA-N 1 1 265.328 2.804 20 30 CFEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C#N)o1 ZINC000339608974 383261006 /nfs/dbraw/zinc/26/10/06/383261006.db2.gz LENNPJOTSSFHPZ-ZDUSSCGKSA-N 1 1 289.379 2.536 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[NH+]1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339617780 383263385 /nfs/dbraw/zinc/26/33/85/383263385.db2.gz SBFXEWLRCUZWPG-MGPQQGTHSA-N 1 1 257.381 2.644 20 30 CFEDMO CCCC[C@@H](C)[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000567431532 383274643 /nfs/dbraw/zinc/27/46/43/383274643.db2.gz OSMMLSCCXRJRHJ-UKRRQHHQSA-N 1 1 267.417 2.551 20 30 CFEDMO C#CCC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000248636675 383276052 /nfs/dbraw/zinc/27/60/52/383276052.db2.gz UZQRGRIEUTVATK-CABCVRRESA-N 1 1 276.424 2.510 20 30 CFEDMO CC1=CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000339660671 383277264 /nfs/dbraw/zinc/27/72/64/383277264.db2.gz JKMZHNVBFLFYBR-UHFFFAOYSA-N 1 1 269.348 2.539 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)NCc1ccc(C)c(F)c1 ZINC000248152916 383215858 /nfs/dbraw/zinc/21/58/58/383215858.db2.gz AMYAGIKKLKQQQX-UHFFFAOYSA-N 1 1 278.371 2.648 20 30 CFEDMO N#CC1CCC(C[NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC000519534433 383221706 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AYTOBWNXEGAAFG-CQSZACIVSA-N 1 1 294.402 2.616 20 30 CFEDMO C=CCCC[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000364435150 262239963 /nfs/dbraw/zinc/23/99/63/262239963.db2.gz QJQVQWLXXILRAA-INIZCTEOSA-N 1 1 256.349 2.548 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC2(C#N)CCCCC2)C1 ZINC000367700417 262261900 /nfs/dbraw/zinc/26/19/00/262261900.db2.gz BWVCPHSWLAZOPT-INIZCTEOSA-N 1 1 295.402 2.542 20 30 CFEDMO C#CCC1(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)CCCCC1 ZINC000364998285 262266878 /nfs/dbraw/zinc/26/68/78/262266878.db2.gz AENJVTAQIYNLPI-HOTGVXAUSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000160370217 262268316 /nfs/dbraw/zinc/26/83/16/262268316.db2.gz WKBJAWMENWDXTI-GDBMZVCRSA-N 1 1 260.381 2.854 20 30 CFEDMO C=CC[N@H+](CCC[C@H](C)O)Cc1cccc([N+](=O)[O-])c1 ZINC000354858561 262314252 /nfs/dbraw/zinc/31/42/52/262314252.db2.gz CLDNWIQVLKCGHF-ZDUSSCGKSA-N 1 1 278.352 2.744 20 30 CFEDMO N#CCc1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000057661558 262349288 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CC(C)(C#N)CCCC[N@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000365631275 262376755 /nfs/dbraw/zinc/37/67/55/262376755.db2.gz WDLYDJFCJVMKQR-MRXNPFEDSA-N 1 1 299.418 2.791 20 30 CFEDMO CC1(C)CC[N@@H+](CCCSCC#N)CCS1 ZINC000336661268 262378264 /nfs/dbraw/zinc/37/82/64/262378264.db2.gz GQNNCCXGGNPVGX-UHFFFAOYSA-N 1 1 258.456 2.851 20 30 CFEDMO CSC[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000336681915 262379129 /nfs/dbraw/zinc/37/91/29/262379129.db2.gz RVNOXPPICWYDCJ-LBPRGKRZSA-N 1 1 258.456 2.708 20 30 CFEDMO C[C@H](O)CC[N@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000336804961 262395679 /nfs/dbraw/zinc/39/56/79/262395679.db2.gz OPKXMZIVFAJROX-CWRNSKLLSA-N 1 1 258.365 2.529 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](CC)[C@@H](C)c2ccc(F)cc2)C1=O ZINC000337122505 262422347 /nfs/dbraw/zinc/42/23/47/262422347.db2.gz BHUWILYWZQRXTA-XJKSGUPXSA-N 1 1 290.382 2.996 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2CCCCC)C1=O ZINC000337153595 262424580 /nfs/dbraw/zinc/42/45/80/262424580.db2.gz MBPHRYWTJHITMW-LSDHHAIUSA-N 1 1 264.413 2.818 20 30 CFEDMO CCCO[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000338982642 262577030 /nfs/dbraw/zinc/57/70/30/262577030.db2.gz AKJMWMQQEFCCPN-QLFBSQMISA-N 1 1 250.386 2.960 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000366404234 262650886 /nfs/dbraw/zinc/65/08/86/262650886.db2.gz ZJIHHTZBWCIFNG-ZDUSSCGKSA-N 1 1 275.396 2.957 20 30 CFEDMO C=CC[N@@H+](CC1CCCCC1)CC1(O)CCOCC1 ZINC000411255602 262685913 /nfs/dbraw/zinc/68/59/13/262685913.db2.gz HCDABCQUGRNTTN-UHFFFAOYSA-N 1 1 267.413 2.596 20 30 CFEDMO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc2c(c1)OCCO2 ZINC000271687483 262997806 /nfs/dbraw/zinc/99/78/06/262997806.db2.gz PQJFDGAXMMGTAB-ZFWWWQNUSA-N 1 1 299.374 2.942 20 30 CFEDMO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)[nH]1 ZINC000271827268 263000005 /nfs/dbraw/zinc/00/00/05/263000005.db2.gz DFEWHABHTPJCHZ-NEPJUHHUSA-N 1 1 299.378 2.681 20 30 CFEDMO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000271989139 263000892 /nfs/dbraw/zinc/00/08/92/263000892.db2.gz DKKSZOCJTJMFCX-INIZCTEOSA-N 1 1 272.392 2.870 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000271989139 263000893 /nfs/dbraw/zinc/00/08/93/263000893.db2.gz DKKSZOCJTJMFCX-INIZCTEOSA-N 1 1 272.392 2.870 20 30 CFEDMO C[N@@H+](CCC(C)(C)C#N)C[C@@H]1COc2ccccc2O1 ZINC000271987913 263000938 /nfs/dbraw/zinc/00/09/38/263000938.db2.gz DBPTXKYJSMNBJC-CYBMUJFWSA-N 1 1 274.364 2.698 20 30 CFEDMO COC(=O)c1ccc2c(c1)C[N@H+](CCC(C)(C)C#N)CC2 ZINC000272008492 263001066 /nfs/dbraw/zinc/00/10/66/263001066.db2.gz JUIJQXNDUWKBPW-UHFFFAOYSA-N 1 1 286.375 2.771 20 30 CFEDMO CN1CCN(CCCC(C)(C)C#N)c2ccc[nH+]c21 ZINC000272230942 263002682 /nfs/dbraw/zinc/00/26/82/263002682.db2.gz HTGVJFHCZPIRSR-UHFFFAOYSA-N 1 1 258.369 2.668 20 30 CFEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1O ZINC000272357373 263003410 /nfs/dbraw/zinc/00/34/10/263003410.db2.gz RQAWTKBWHCCWKL-ZBFHGGJFSA-N 1 1 290.382 2.926 20 30 CFEDMO CC1(C#N)CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000272575664 263007098 /nfs/dbraw/zinc/00/70/98/263007098.db2.gz NOGZRTVDPAJTJN-MRXNPFEDSA-N 1 1 297.402 2.632 20 30 CFEDMO N#CC1(c2ccccc2)CCC([NH2+]CC(F)(F)CO)CC1 ZINC000274428156 263024113 /nfs/dbraw/zinc/02/41/13/263024113.db2.gz VGKHSUDSGZVVSF-UHFFFAOYSA-N 1 1 294.345 2.608 20 30 CFEDMO CC1(C#N)CCN(c2cc[nH+]cc2Br)CC1 ZINC000274784434 263030376 /nfs/dbraw/zinc/03/03/76/263030376.db2.gz PXJLRCRJSMFGPE-UHFFFAOYSA-N 1 1 280.169 2.974 20 30 CFEDMO CCn1nccc1CC[N@H+](CCC#N)CCC(C)C ZINC000276259871 263035485 /nfs/dbraw/zinc/03/54/85/263035485.db2.gz AUHVRQKFKQCCEM-UHFFFAOYSA-N 1 1 262.401 2.707 20 30 CFEDMO CCn1nccc1CC[N@@H+](CCC#N)CCC(C)C ZINC000276259871 263035486 /nfs/dbraw/zinc/03/54/86/263035486.db2.gz AUHVRQKFKQCCEM-UHFFFAOYSA-N 1 1 262.401 2.707 20 30 CFEDMO C[C@@H](CCC#N)[NH+]1CCN(CCc2ccccc2)CC1 ZINC000276276667 263035498 /nfs/dbraw/zinc/03/54/98/263035498.db2.gz FBCODEXWXQDCLM-INIZCTEOSA-N 1 1 271.408 2.539 20 30 CFEDMO OCCC[C@@H]1CC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000452132816 263039249 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263071661 /nfs/dbraw/zinc/07/16/61/263071661.db2.gz DPPNPJBHGREYNA-UHFFFAOYSA-N 1 1 268.364 2.592 20 30 CFEDMO C=CCOc1cccc(CN[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414857677 263074259 /nfs/dbraw/zinc/07/42/59/263074259.db2.gz PZQXPDJJNSNXDU-HOCLYGCPSA-N 1 1 274.408 2.729 20 30 CFEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000283973074 263085284 /nfs/dbraw/zinc/08/52/84/263085284.db2.gz CLAYLGIHJUYOSZ-UHFFFAOYSA-N 1 1 297.402 2.538 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000284983674 263089028 /nfs/dbraw/zinc/08/90/28/263089028.db2.gz MFSNJKFJHQLQOZ-SFHVURJKSA-N 1 1 299.418 2.579 20 30 CFEDMO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1c(F)cncc1F ZINC000285619158 263094488 /nfs/dbraw/zinc/09/44/88/263094488.db2.gz JPZYEVWRIVGNDE-GUBZILKMSA-N 1 1 251.280 2.703 20 30 CFEDMO N#CC1(CCC[N@H+]2CCC[C@H]2c2cc[nH]n2)CCOCC1 ZINC000286197566 263097450 /nfs/dbraw/zinc/09/74/50/263097450.db2.gz PXEJDHMIOSFEOT-HNNXBMFYSA-N 1 1 288.395 2.647 20 30 CFEDMO CCOC1CC([N@@H+](C)Cc2ccc(OCC#N)cc2)C1 ZINC000286985926 263100279 /nfs/dbraw/zinc/10/02/79/263100279.db2.gz PBHRUJBAFOVFFK-UHFFFAOYSA-N 1 1 274.364 2.588 20 30 CFEDMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CCCC#N ZINC000291094041 263120046 /nfs/dbraw/zinc/12/00/46/263120046.db2.gz IELFBNFROLRTSD-DOTOQJQBSA-N 1 1 297.402 2.823 20 30 CFEDMO CC(C)[N@@H+](Cc1ccc(OCC#N)cc1)[C@@H]1CCOC1 ZINC000291883180 263126365 /nfs/dbraw/zinc/12/63/65/263126365.db2.gz QHGDVNDRLMLVLV-OAHLLOKOSA-N 1 1 274.364 2.588 20 30 CFEDMO C=CC[N@H+](CCC#N)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000292093402 263128194 /nfs/dbraw/zinc/12/81/94/263128194.db2.gz FRPHGFZPIQPFAS-INIZCTEOSA-N 1 1 297.402 2.550 20 30 CFEDMO C=CC[N@@H+](CCC#N)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000292093402 263128195 /nfs/dbraw/zinc/12/81/95/263128195.db2.gz FRPHGFZPIQPFAS-INIZCTEOSA-N 1 1 297.402 2.550 20 30 CFEDMO N#CCCOCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000292689231 263133859 /nfs/dbraw/zinc/13/38/59/263133859.db2.gz 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CFEDMO C=C(C)C[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000272456098 330086016 /nfs/dbraw/zinc/08/60/16/330086016.db2.gz CUJGMSKWXAUFMZ-CYBMUJFWSA-N 1 1 284.197 2.990 20 30 CFEDMO C[C@@H](O)[C@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000272485442 330086125 /nfs/dbraw/zinc/08/61/25/330086125.db2.gz BNTFCZZFLFILIR-OCCSQVGLSA-N 1 1 297.320 2.760 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(OC)ccc1OC ZINC000276440835 330113613 /nfs/dbraw/zinc/11/36/13/330113613.db2.gz OOKSKESHTFFTKT-GFCCVEGCSA-N 1 1 292.379 2.539 20 30 CFEDMO CC(C)(C#N)CC[N@@H+]1CCC=C(Br)C1 ZINC000281665357 330126340 /nfs/dbraw/zinc/12/63/40/330126340.db2.gz PAXWHRAKRWBLIE-UHFFFAOYSA-N 1 1 257.175 2.911 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCC=C(Br)C1 ZINC000281665357 330126342 /nfs/dbraw/zinc/12/63/42/330126342.db2.gz PAXWHRAKRWBLIE-UHFFFAOYSA-N 1 1 257.175 2.911 20 30 CFEDMO C[C@H](C#N)C[N@H+](C)C[C@H]1CCC2(CCCCC2)O1 ZINC000299936093 330145274 /nfs/dbraw/zinc/14/52/74/330145274.db2.gz KMGMJKOAMORSQM-ZIAGYGMSSA-N 1 1 250.386 2.960 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VJEREJPHBCYRMH-LLVKDONJSA-N 1 1 255.321 2.571 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000336345392 526072739 /nfs/dbraw/zinc/07/27/39/526072739.db2.gz MNQVUGRPNKSBDO-RHSMWYFYSA-N 1 1 297.402 2.706 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCOCC2(CC2)C1 ZINC000336331823 526074177 /nfs/dbraw/zinc/07/41/77/526074177.db2.gz XPPDAJZLZAAQIL-CYBMUJFWSA-N 1 1 256.349 2.732 20 30 CFEDMO Cc1cc(C#N)cc(NC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000334990866 526183593 /nfs/dbraw/zinc/18/35/93/526183593.db2.gz JOIRVRAFGHJOJA-XJKSGUPXSA-N 1 1 298.390 2.567 20 30 CFEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000336110261 526523687 /nfs/dbraw/zinc/52/36/87/526523687.db2.gz CCQGUBIBWVTJAW-JSGCOSHPSA-N 1 1 274.339 2.556 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1F ZINC000300469853 526547893 /nfs/dbraw/zinc/54/78/93/526547893.db2.gz SWJVZWVZIMKKEY-USXIJHARSA-N 1 1 288.366 2.823 20 30 CFEDMO N#Cc1cc(F)ccc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000365040730 526559048 /nfs/dbraw/zinc/55/90/48/526559048.db2.gz WHIBIYURICXMEE-OAHLLOKOSA-N 1 1 288.366 2.946 20 30 CFEDMO N#Cc1ccc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)o1 ZINC000368851809 526612202 /nfs/dbraw/zinc/61/22/02/526612202.db2.gz AXZLRFYCIQYDRP-UHFFFAOYSA-N 1 1 298.346 2.791 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c(Cl)c1 ZINC000336430997 526616548 /nfs/dbraw/zinc/61/65/48/526616548.db2.gz PFPKJHMSUACACM-OAHLLOKOSA-N 1 1 276.767 2.558 20 30 CFEDMO C=C(C)CNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000347463878 526621833 /nfs/dbraw/zinc/62/18/33/526621833.db2.gz OGAGCJYWODCBSP-QWRGUYRKSA-N 1 1 292.345 2.588 20 30 CFEDMO N#Cc1ccc(Cn2c[nH+]c3c2CCCC3)cc1F ZINC000334809210 526637041 /nfs/dbraw/zinc/63/70/41/526637041.db2.gz BDAZSVYFXFOWFG-UHFFFAOYSA-N 1 1 255.296 2.821 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CCC ZINC000343557941 526711552 /nfs/dbraw/zinc/71/15/52/526711552.db2.gz GLRHTLGGAYABDX-UONOGXRCSA-N 1 1 252.402 2.579 20 30 CFEDMO Cc1nsc(N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1C#N ZINC000360961819 526715978 /nfs/dbraw/zinc/71/59/78/526715978.db2.gz VGBCGVXEHSNFGO-GHMZBOCLSA-N 1 1 278.425 2.856 20 30 CFEDMO CC(C)(C)[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000347062304 526720518 /nfs/dbraw/zinc/72/05/18/526720518.db2.gz VJWHYFMRWHDZIN-AWEZNQCLSA-N 1 1 291.439 2.697 20 30 CFEDMO N#Cc1cccc(OCC[NH+]2Cc3ccccc3C2)c1 ZINC000050911263 526728297 /nfs/dbraw/zinc/72/82/97/526728297.db2.gz AUDDNCHNAWSETM-UHFFFAOYSA-N 1 1 264.328 2.953 20 30 CFEDMO Cc1oc(NC(=O)C[N@@H+]2[C@H](C)CCC2(C)C)c(C#N)c1C ZINC000336304077 526776508 /nfs/dbraw/zinc/77/65/08/526776508.db2.gz OGLGXBQGJVPUFV-SNVBAGLBSA-N 1 1 289.379 2.970 20 30 CFEDMO Cc1oc(NC(=O)C[N@H+]2[C@H](C)CCC2(C)C)c(C#N)c1C ZINC000336304077 526776513 /nfs/dbraw/zinc/77/65/13/526776513.db2.gz OGLGXBQGJVPUFV-SNVBAGLBSA-N 1 1 289.379 2.970 20 30 CFEDMO N#Cc1nnc2ccccc2c1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000316608814 526800471 /nfs/dbraw/zinc/80/04/71/526800471.db2.gz IXBIIWGVASKOBJ-CHWSQXEVSA-N 1 1 293.374 2.540 20 30 CFEDMO C=C(CNC(=O)NCC[N@H+](C)[C@H](C)CC)c1ccccc1 ZINC000352766869 526870708 /nfs/dbraw/zinc/87/07/08/526870708.db2.gz DJGNOUZPRCJFGO-OAHLLOKOSA-N 1 1 289.423 2.729 20 30 CFEDMO C=CCOc1ccc(C[NH2+][C@H]2CCc3cn[nH]c3C2)cc1 ZINC000344631215 526890312 /nfs/dbraw/zinc/89/03/12/526890312.db2.gz OYDUHJVOLKRMTF-HNNXBMFYSA-N 1 1 283.375 2.622 20 30 CFEDMO C=CCOc1cccc(CN(C)[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000353328450 526898224 /nfs/dbraw/zinc/89/82/24/526898224.db2.gz IMZJVRXRJNMIMX-KRWDZBQOSA-N 1 1 286.419 2.920 20 30 CFEDMO C=CCOc1cccc(C[N@@H+](C)[C@H]2CCN(C3CC3)C2)c1 ZINC000353328450 526898229 /nfs/dbraw/zinc/89/82/29/526898229.db2.gz IMZJVRXRJNMIMX-KRWDZBQOSA-N 1 1 286.419 2.920 20 30 CFEDMO C=CCOc1cccc(C[N@H+](C)[C@H]2CCN(C3CC3)C2)c1 ZINC000353328450 526898234 /nfs/dbraw/zinc/89/82/34/526898234.db2.gz IMZJVRXRJNMIMX-KRWDZBQOSA-N 1 1 286.419 2.920 20 30 CFEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000353274839 527124684 /nfs/dbraw/zinc/12/46/84/527124684.db2.gz PRPZQQNWKGVVPC-CQSZACIVSA-N 1 1 279.428 2.611 20 30 CFEDMO C=CCCCCC[N@H+](C)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000351904207 527130212 /nfs/dbraw/zinc/13/02/12/527130212.db2.gz NVYODJMZDLWTEQ-CQSZACIVSA-N 1 1 297.443 2.535 20 30 CFEDMO C=CCCCCC[N@@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000347627776 527131993 /nfs/dbraw/zinc/13/19/93/527131993.db2.gz GZVOMPCLWWQZNT-MRXNPFEDSA-N 1 1 266.429 2.971 20 30 CFEDMO C=CC[C@H](CC)NC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000347627807 527152327 /nfs/dbraw/zinc/15/23/27/527152327.db2.gz VFTWMFRSLACFFQ-KFWWJZLASA-N 1 1 281.444 2.761 20 30 CFEDMO Cn1cc(C[N@H+]2CCC[C@H](c3nccs3)C2)cc1C#N ZINC000191300383 527202374 /nfs/dbraw/zinc/20/23/74/527202374.db2.gz KIJPQUDKMATYHB-ZDUSSCGKSA-N 1 1 286.404 2.733 20 30 CFEDMO Cn1cc(C[N@H+]2Cc3ccccc3C3(CC3)C2)cc1C#N ZINC000191509416 527208519 /nfs/dbraw/zinc/20/85/19/527208519.db2.gz LJODUYUXBWTKFE-UHFFFAOYSA-N 1 1 277.371 2.944 20 30 CFEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](CCO)[C@H](C)CC)c1C ZINC000347485644 527294555 /nfs/dbraw/zinc/29/45/55/527294555.db2.gz WXOCDERGQXFSMY-CYBMUJFWSA-N 1 1 292.423 2.566 20 30 CFEDMO C=CCn1c(C)cc(C(=O)C[N@H+](CCO)[C@H](C)CC)c1C ZINC000347485644 527294562 /nfs/dbraw/zinc/29/45/62/527294562.db2.gz WXOCDERGQXFSMY-CYBMUJFWSA-N 1 1 292.423 2.566 20 30 CFEDMO Cc1ncsc1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000066565906 527499007 /nfs/dbraw/zinc/49/90/07/527499007.db2.gz ASRVXAIKPMRHPK-UHFFFAOYSA-N 1 1 257.362 2.955 20 30 CFEDMO Cc1ncsc1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000066565906 527499011 /nfs/dbraw/zinc/49/90/11/527499011.db2.gz ASRVXAIKPMRHPK-UHFFFAOYSA-N 1 1 257.362 2.955 20 30 CFEDMO C=C[C@H](CC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000351987490 527575556 /nfs/dbraw/zinc/57/55/56/527575556.db2.gz VZQNFUZVLHJFRE-ARFHVFGLSA-N 1 1 286.419 2.897 20 30 CFEDMO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000336313087 527626039 /nfs/dbraw/zinc/62/60/39/527626039.db2.gz JETFCOGOFWOJNZ-CQSZACIVSA-N 1 1 298.365 2.810 20 30 CFEDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2C#N)C1 ZINC000336313087 527626047 /nfs/dbraw/zinc/62/60/47/527626047.db2.gz JETFCOGOFWOJNZ-CQSZACIVSA-N 1 1 298.365 2.810 20 30 CFEDMO CC[N@H+](CC#Cc1ccccc1Cl)CCOC ZINC000347366384 527879351 /nfs/dbraw/zinc/87/93/51/527879351.db2.gz IWGYTBBVPJUESO-UHFFFAOYSA-N 1 1 251.757 2.660 20 30 CFEDMO COC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000449777216 536525532 /nfs/dbraw/zinc/52/55/32/536525532.db2.gz PYLCXADBHIVZGI-INIZCTEOSA-N 1 1 258.365 2.807 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000331443941 527927459 /nfs/dbraw/zinc/92/74/59/527927459.db2.gz SRGLDBPRUWNFLW-VBQJREDUSA-N 1 1 291.439 2.551 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000344204406 527935838 /nfs/dbraw/zinc/93/58/38/527935838.db2.gz GYHKIFUIFNRMAZ-CPUCHLNUSA-N 1 1 293.455 2.797 20 30 CFEDMO COC[C@H]1CCC[N@@H+](CCOc2ccccc2C#N)CC1 ZINC000452081375 536524175 /nfs/dbraw/zinc/52/41/75/536524175.db2.gz JSGUBSMILIBONG-HNNXBMFYSA-N 1 1 288.391 2.686 20 30 CFEDMO CCC[N@@H+](CC)CCNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425239121 527979579 /nfs/dbraw/zinc/97/95/79/527979579.db2.gz VXGCDRMMIACZKW-UHFFFAOYSA-N 1 1 276.340 2.610 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2[nH]ccc2c1 ZINC001085790879 782165643 /nfs/dbraw/zinc/16/56/43/782165643.db2.gz UQAFWNAPBAJUIM-MRXNPFEDSA-N 1 1 297.402 2.890 20 30 CFEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCc2c[nH]nc21 ZINC000330104458 528217829 /nfs/dbraw/zinc/21/78/29/528217829.db2.gz GZBXMLSDUOMKHX-QWHCGFSZSA-N 1 1 276.384 2.618 20 30 CFEDMO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330104458 528217840 /nfs/dbraw/zinc/21/78/40/528217840.db2.gz GZBXMLSDUOMKHX-QWHCGFSZSA-N 1 1 276.384 2.618 20 30 CFEDMO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCc2cn[nH]c21 ZINC000330104458 528217843 /nfs/dbraw/zinc/21/78/43/528217843.db2.gz GZBXMLSDUOMKHX-QWHCGFSZSA-N 1 1 276.384 2.618 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1C(=O)NCCc1nc(C)oc1C ZINC000329129063 528227348 /nfs/dbraw/zinc/22/73/48/528227348.db2.gz VTCXASWMJFRPMK-AWEZNQCLSA-N 1 1 279.384 2.665 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N[C@@H](CC)C1 ZINC000329215340 528232102 /nfs/dbraw/zinc/23/21/02/528232102.db2.gz MNKAFBRUEXENKI-IHRRRGAJSA-N 1 1 295.427 2.962 20 30 CFEDMO CC(C)[N@@H+](C)CCNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000102063164 528822393 /nfs/dbraw/zinc/82/23/93/528822393.db2.gz MSHFQNYFCSTRPY-UHFFFAOYSA-N 1 1 294.786 2.673 20 30 CFEDMO CC[N@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H](C)O ZINC000352211316 528832130 /nfs/dbraw/zinc/83/21/30/528832130.db2.gz JUWPLHYUIHPGHV-CYBMUJFWSA-N 1 1 260.381 2.690 20 30 CFEDMO CC[N@@H+](Cc1cncn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000177258761 528873312 /nfs/dbraw/zinc/87/33/12/528873312.db2.gz LJXZYPSRBBEYLT-ZDUSSCGKSA-N 1 1 268.364 2.875 20 30 CFEDMO CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000329233290 529081824 /nfs/dbraw/zinc/08/18/24/529081824.db2.gz GUIYRWVTYUMVEF-STQMWFEESA-N 1 1 281.400 2.574 20 30 CFEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)c1cncnc1 ZINC000330344943 529271585 /nfs/dbraw/zinc/27/15/85/529271585.db2.gz DNYKZUZVAHTGNI-UKRRQHHQSA-N 1 1 290.411 2.801 20 30 CFEDMO CC[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000248893903 535493303 /nfs/dbraw/zinc/49/33/03/535493303.db2.gz HGNMEXLYJPHFPD-CHWSQXEVSA-N 1 1 273.380 2.863 20 30 CFEDMO CC[N@H+]1CCC[C@@H](CNc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450289272 535526460 /nfs/dbraw/zinc/52/64/60/535526460.db2.gz OQHMODOELHDVOK-LBPRGKRZSA-N 1 1 288.351 2.610 20 30 CFEDMO C[N@@H+](Cc1ccccc1)C1CN(Cc2cc(C#N)cs2)C1 ZINC000459590504 536480745 /nfs/dbraw/zinc/48/07/45/536480745.db2.gz KEUIDLMCXRYBON-UHFFFAOYSA-N 1 1 297.427 2.936 20 30 CFEDMO COc1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)ccc1C#N ZINC000442873934 536758462 /nfs/dbraw/zinc/75/84/62/536758462.db2.gz AIYOLLSLZADMKW-HOTGVXAUSA-N 1 1 286.375 2.568 20 30 CFEDMO COc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)ccc1C#N ZINC000443064177 536766903 /nfs/dbraw/zinc/76/69/03/536766903.db2.gz FMCZVRKWKQTCRW-WOSRLPQWSA-N 1 1 288.391 2.548 20 30 CFEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](C(C)C)C1 ZINC000446726096 536883411 /nfs/dbraw/zinc/88/34/11/536883411.db2.gz KPHKCJWQPYXDKF-HNNXBMFYSA-N 1 1 288.391 2.924 20 30 CFEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](C(C)C)C1 ZINC000446726097 536883749 /nfs/dbraw/zinc/88/37/49/536883749.db2.gz KPHKCJWQPYXDKF-OAHLLOKOSA-N 1 1 288.391 2.924 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC ZINC001085828116 782177013 /nfs/dbraw/zinc/17/70/13/782177013.db2.gz LPANXJDSDJASBV-QLFBSQMISA-N 1 1 264.413 2.531 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1Cc2ccccc2C1 ZINC001085838111 782178603 /nfs/dbraw/zinc/17/86/03/782178603.db2.gz ZZFXIFKYASAYAP-SFHVURJKSA-N 1 1 298.430 2.510 20 30 CFEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000935099012 649875093 /nfs/dbraw/zinc/87/50/93/649875093.db2.gz DKZUASHYEGALSK-CJNGLKHVSA-N 1 1 272.392 2.892 20 30 CFEDMO C=C[C@H](CC)CC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000935099012 649875095 /nfs/dbraw/zinc/87/50/95/649875095.db2.gz DKZUASHYEGALSK-CJNGLKHVSA-N 1 1 272.392 2.892 20 30 CFEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cnc2ccccc2c1 ZINC001085844318 782183178 /nfs/dbraw/zinc/18/31/78/782183178.db2.gz JUAVUMZOFKDEAV-INIZCTEOSA-N 1 1 295.386 2.567 20 30 CFEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc2ccccc2c1 ZINC001085844318 782183182 /nfs/dbraw/zinc/18/31/82/782183182.db2.gz JUAVUMZOFKDEAV-INIZCTEOSA-N 1 1 295.386 2.567 20 30 CFEDMO C[NH+]1CCN(N=C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000753922436 574055047 /nfs/dbraw/zinc/05/50/47/574055047.db2.gz RLFQDCCYELSHJR-UHFFFAOYSA-N 1 1 277.799 2.821 20 30 CFEDMO C[C@@H]1CC(=NNCc2cccc3cccnc32)C[N@@H+]1C1CC1 ZINC000753956348 574058760 /nfs/dbraw/zinc/05/87/60/574058760.db2.gz SCASQCLEMWQDMA-CYBMUJFWSA-N 1 1 294.402 2.937 20 30 CFEDMO C[C@@H]1CC(=NNCc2cccc3cccnc32)C[N@H+]1C1CC1 ZINC000753956348 574058765 /nfs/dbraw/zinc/05/87/65/574058765.db2.gz SCASQCLEMWQDMA-CYBMUJFWSA-N 1 1 294.402 2.937 20 30 CFEDMO C[C@H]1CC(N=Nc2c(F)cccc2F)C[N@H+]1C1CC1 ZINC000753959022 574059581 /nfs/dbraw/zinc/05/95/81/574059581.db2.gz CSGRYAOKTRZZMD-VIFPVBQESA-N 1 1 265.307 2.989 20 30 CFEDMO CCCCCCCC(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000727742579 574063407 /nfs/dbraw/zinc/06/34/07/574063407.db2.gz ZHCCQDZNNOXQBE-CYBMUJFWSA-N 1 1 254.418 2.946 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(CCC)CC1CCCCC1 ZINC000730278452 574069731 /nfs/dbraw/zinc/06/97/31/574069731.db2.gz CGYOICGEVOQITP-KRWDZBQOSA-N 1 1 290.451 2.903 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCC)CC1CCCCC1 ZINC000730278452 574069737 /nfs/dbraw/zinc/06/97/37/574069737.db2.gz CGYOICGEVOQITP-KRWDZBQOSA-N 1 1 290.451 2.903 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CCC)Cc1ccccc1 ZINC000730282894 574070286 /nfs/dbraw/zinc/07/02/86/574070286.db2.gz QPKDQRSOZUKKMW-ROUUACIJSA-N 1 1 298.430 2.612 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CCC)Cc1ccccc1 ZINC000730282894 574070290 /nfs/dbraw/zinc/07/02/90/574070290.db2.gz QPKDQRSOZUKKMW-ROUUACIJSA-N 1 1 298.430 2.612 20 30 CFEDMO C=CC[N@H+](CCC(=O)Nc1cccc(OC)c1)C(C)C ZINC000744389472 574072149 /nfs/dbraw/zinc/07/21/49/574072149.db2.gz UDUFLFNBUVZFBX-UHFFFAOYSA-N 1 1 276.380 2.920 20 30 CFEDMO C#C[C@@H](CC)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000754390016 574093607 /nfs/dbraw/zinc/09/36/07/574093607.db2.gz IVVSOULVWSOXFR-DLBZAZTESA-N 1 1 284.403 2.569 20 30 CFEDMO Cc1ccc([C@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)s1 ZINC000754668074 574111677 /nfs/dbraw/zinc/11/16/77/574111677.db2.gz CWXFJODKSUWDDK-XHDPSFHLSA-N 1 1 299.399 2.805 20 30 CFEDMO C=CCc1cc(C[N@@H+]2CC[C@H](COC)C2)c(O)c(OC)c1 ZINC000754742107 574117841 /nfs/dbraw/zinc/11/78/41/574117841.db2.gz PTHOCWXQURHBIV-AWEZNQCLSA-N 1 1 291.391 2.598 20 30 CFEDMO C=CCc1cc(C[N@H+]2CCOC[C@@H](C)C2)c(O)c(OC)c1 ZINC000754747770 574117927 /nfs/dbraw/zinc/11/79/27/574117927.db2.gz BVKVDOAIVBHPKC-ZDUSSCGKSA-N 1 1 291.391 2.598 20 30 CFEDMO CCCCCCCCCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000746151429 574137016 /nfs/dbraw/zinc/13/70/16/574137016.db2.gz IJYBZJCDCMLVGJ-INIZCTEOSA-N 1 1 298.471 2.916 20 30 CFEDMO CCCCCCCCCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000746151429 574137018 /nfs/dbraw/zinc/13/70/18/574137018.db2.gz IJYBZJCDCMLVGJ-INIZCTEOSA-N 1 1 298.471 2.916 20 30 CFEDMO C#CC[N@H+](Cc1ccc(OC)c(OC)c1OC)C(C)C ZINC000746148191 574137188 /nfs/dbraw/zinc/13/71/88/574137188.db2.gz VEHUMXWQKUVUMK-UHFFFAOYSA-N 1 1 277.364 2.556 20 30 CFEDMO C=CC1CC[NH+](Cn2c3c(sc2=O)C[C@H](C)CC3)CC1 ZINC000732180890 574145115 /nfs/dbraw/zinc/14/51/15/574145115.db2.gz HDNODADVMDUXSX-GFCCVEGCSA-N 1 1 292.448 2.890 20 30 CFEDMO C=CCN(C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)C(C)C ZINC000746328651 574145831 /nfs/dbraw/zinc/14/58/31/574145831.db2.gz OWJKQOHXYAOQHE-INIZCTEOSA-N 1 1 295.471 2.960 20 30 CFEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000746456851 574149358 /nfs/dbraw/zinc/14/93/58/574149358.db2.gz NWRBQPZDRWSXSW-QWHCGFSZSA-N 1 1 292.810 2.861 20 30 CFEDMO C#CC[N@H+](CC)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000746456851 574149360 /nfs/dbraw/zinc/14/93/60/574149360.db2.gz NWRBQPZDRWSXSW-QWHCGFSZSA-N 1 1 292.810 2.861 20 30 CFEDMO C#CC[N@@H+](CC)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000746456881 574149746 /nfs/dbraw/zinc/14/97/46/574149746.db2.gz PMPDAFWWCOLVHM-HNNXBMFYSA-N 1 1 290.794 2.791 20 30 CFEDMO C#CC[N@H+](CC)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000746456881 574149747 /nfs/dbraw/zinc/14/97/47/574149747.db2.gz PMPDAFWWCOLVHM-HNNXBMFYSA-N 1 1 290.794 2.791 20 30 CFEDMO CCCCCCCCCC[N@@H+]1CCn2c(CO)nnc2C1 ZINC000746488206 574150647 /nfs/dbraw/zinc/15/06/47/574150647.db2.gz CNACTTDRZYZCCJ-UHFFFAOYSA-N 1 1 294.443 2.727 20 30 CFEDMO CCCCCCCCCC[N@H+]1CCn2c(CO)nnc2C1 ZINC000746488206 574150650 /nfs/dbraw/zinc/15/06/50/574150650.db2.gz CNACTTDRZYZCCJ-UHFFFAOYSA-N 1 1 294.443 2.727 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)c2ccc([C@@H](C)CC)cc2)CC1 ZINC000755283050 574151669 /nfs/dbraw/zinc/15/16/69/574151669.db2.gz SYKWSYOQOIMMQX-INIZCTEOSA-N 1 1 298.430 2.981 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000746666081 574161560 /nfs/dbraw/zinc/16/15/60/574161560.db2.gz IOJGWTGKWJVTEP-CYBMUJFWSA-N 1 1 266.385 2.544 20 30 CFEDMO C=CCn1nnn(C[N@H+]2CCC[C@H]2CC(C)(C)C)c1=S ZINC000747076585 574178322 /nfs/dbraw/zinc/17/83/22/574178322.db2.gz LFJHENIACPLVSO-LBPRGKRZSA-N 1 1 295.456 2.853 20 30 CFEDMO C=CCn1nnn(C[N@@H+]2CCC[C@H]2CC(C)(C)C)c1=S ZINC000747076585 574178324 /nfs/dbraw/zinc/17/83/24/574178324.db2.gz LFJHENIACPLVSO-LBPRGKRZSA-N 1 1 295.456 2.853 20 30 CFEDMO C[N@H+](CCc1ccccc1F)C[C@@H](C#N)CCC#N ZINC000732922429 574178367 /nfs/dbraw/zinc/17/83/67/574178367.db2.gz WXBCRUDZMANMFD-CYBMUJFWSA-N 1 1 259.328 2.744 20 30 CFEDMO C[N@@H+](CCc1ccccc1F)C[C@@H](C#N)CCC#N ZINC000732922429 574178369 /nfs/dbraw/zinc/17/83/69/574178369.db2.gz WXBCRUDZMANMFD-CYBMUJFWSA-N 1 1 259.328 2.744 20 30 CFEDMO C(=[NH+]O[C@H]1CCCCO1)c1ccc(N2CCCC2)nc1 ZINC000755820736 574190038 /nfs/dbraw/zinc/19/00/38/574190038.db2.gz LARMHEXQPACIJB-HNNXBMFYSA-N 1 1 275.352 2.559 20 30 CFEDMO CCCCCCC[N@H+]1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC000740875613 574191688 /nfs/dbraw/zinc/19/16/88/574191688.db2.gz GEHOZBFGDRZOGP-HZPDHXFCSA-N 1 1 298.471 2.820 20 30 CFEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccc(F)cc1F ZINC000755874972 574193967 /nfs/dbraw/zinc/19/39/67/574193967.db2.gz SOLOUNDNNRNOTL-SECBINFHSA-N 1 1 265.307 2.847 20 30 CFEDMO C=CCCCCC[N@H+](C)CN1C[C@@](C)(COC)CC1=O ZINC000747458847 574196977 /nfs/dbraw/zinc/19/69/77/574196977.db2.gz CEXRFJHFUHLBIQ-INIZCTEOSA-N 1 1 282.428 2.507 20 30 CFEDMO C=CCNC(=S)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000747654994 574204923 /nfs/dbraw/zinc/20/49/23/574204923.db2.gz IDYSAEQRIKRHRP-CQSZACIVSA-N 1 1 291.464 2.547 20 30 CFEDMO C#CC[N@@H+](Cc1ccc(F)cc1)CC(C)(C)COC ZINC000756078741 574207716 /nfs/dbraw/zinc/20/77/16/574207716.db2.gz JGENHRGYXYGZIJ-UHFFFAOYSA-N 1 1 263.356 2.934 20 30 CFEDMO C#CCOc1ccc(CNCC2([NH+](C)C)CCCC2)cc1 ZINC000733322498 574220980 /nfs/dbraw/zinc/22/09/80/574220980.db2.gz JSJXVGIIOFXJGP-UHFFFAOYSA-N 1 1 286.419 2.663 20 30 CFEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C)CC1 ZINC000739912431 574229221 /nfs/dbraw/zinc/22/92/21/574229221.db2.gz KJHTYTJLBWABHC-XJKSGUPXSA-N 1 1 286.375 2.894 20 30 CFEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](C)CC1 ZINC000739912431 574229224 /nfs/dbraw/zinc/22/92/24/574229224.db2.gz KJHTYTJLBWABHC-XJKSGUPXSA-N 1 1 286.375 2.894 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)c1ccc(CC)cc1 ZINC000729812046 574233021 /nfs/dbraw/zinc/23/30/21/574233021.db2.gz JXCNZMBALPHTBJ-QAPCUYQASA-N 1 1 299.414 2.993 20 30 CFEDMO CCCCCCCC(=O)N[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000729980602 574240849 /nfs/dbraw/zinc/24/08/49/574240849.db2.gz QIXFTSNMBHDJDW-OAHLLOKOSA-N 1 1 284.444 2.574 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cccc(Cl)c1F ZINC000756543765 574244937 /nfs/dbraw/zinc/24/49/37/574244937.db2.gz NDZWOKSVHGXWAA-LLVKDONJSA-N 1 1 295.741 2.734 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cccc(Cl)c1F ZINC000756543765 574244938 /nfs/dbraw/zinc/24/49/38/574244938.db2.gz NDZWOKSVHGXWAA-LLVKDONJSA-N 1 1 295.741 2.734 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1ccc(OCC=C)cc1 ZINC000756541522 574244971 /nfs/dbraw/zinc/24/49/71/574244971.db2.gz CHLBGKKIMMCBPE-INIZCTEOSA-N 1 1 299.370 2.506 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)Cc1ccccc1 ZINC000756545900 574245806 /nfs/dbraw/zinc/24/58/06/574245806.db2.gz XCTKOMIZQUAJCC-RDJZCZTQSA-N 1 1 285.387 2.506 20 30 CFEDMO C=CCNC(=S)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000733753592 574255630 /nfs/dbraw/zinc/25/56/30/574255630.db2.gz NGSXKTJBOPIAJZ-LSDHHAIUSA-N 1 1 295.496 2.633 20 30 CFEDMO C=C(C)COCC[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000756761045 574260972 /nfs/dbraw/zinc/26/09/72/574260972.db2.gz QUKCNVUJMWSHHQ-SNVBAGLBSA-N 1 1 271.307 2.914 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@H](/N=C\c2cccc(O)c2O)C1 ZINC000756841163 574267223 /nfs/dbraw/zinc/26/72/23/574267223.db2.gz LNHKVMFNRZCBIY-FNMPFJKNSA-N 1 1 282.343 2.703 20 30 CFEDMO CCC(CC)C[N@@H+](C/C=C(/C)C(=O)OC)CCC#N ZINC000748823555 574270423 /nfs/dbraw/zinc/27/04/23/574270423.db2.gz BHQPWBXXQWEDTA-JYRVWZFOSA-N 1 1 266.385 2.758 20 30 CFEDMO CCC(CC)C[N@H+](C/C=C(/C)C(=O)OC)CCC#N ZINC000748823555 574270426 /nfs/dbraw/zinc/27/04/26/574270426.db2.gz BHQPWBXXQWEDTA-JYRVWZFOSA-N 1 1 266.385 2.758 20 30 CFEDMO C=CCCCO[NH+]=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000740872251 574271702 /nfs/dbraw/zinc/27/17/02/574271702.db2.gz KISIFSSMGCDCNF-LBPRGKRZSA-N 1 1 299.415 2.954 20 30 CFEDMO C#CC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C1CCCC1 ZINC000756911558 574272510 /nfs/dbraw/zinc/27/25/10/574272510.db2.gz VKBLOMYZTOOVJB-BFYDXBDKSA-N 1 1 290.451 2.805 20 30 CFEDMO C#CC[N@H+](CCOc1ccc(OC)cc1)C1CCCC1 ZINC000756912482 574272792 /nfs/dbraw/zinc/27/27/92/574272792.db2.gz WVTPMELBUWXBPF-UHFFFAOYSA-N 1 1 273.376 2.952 20 30 CFEDMO C#CCNC(=O)C[N@H+](CCCC)[C@@H](CC)c1ccccc1 ZINC000734149914 574275051 /nfs/dbraw/zinc/27/50/51/574275051.db2.gz LTWMEWJYGHEFAL-KRWDZBQOSA-N 1 1 286.419 2.989 20 30 CFEDMO C=C(Cl)COC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000741011783 574277749 /nfs/dbraw/zinc/27/77/49/574277749.db2.gz RYRIKHGNEDWUHL-GFCCVEGCSA-N 1 1 259.777 2.793 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1N=Nc1ccccn1 ZINC000734364152 574283792 /nfs/dbraw/zinc/28/37/92/574283792.db2.gz WXGYJQJWAHFQMX-CQSZACIVSA-N 1 1 295.390 2.787 20 30 CFEDMO CCc1cc(C[NH2+]Cc2ccc(O[C@H](C)C#N)cc2)on1 ZINC000741257555 574284825 /nfs/dbraw/zinc/28/48/25/574284825.db2.gz FGROHMCGWMBXSX-GFCCVEGCSA-N 1 1 285.347 2.818 20 30 CFEDMO C[C@@H]1C[C@@H](N=Cc2cc3ccccc3[nH]c2=O)CC[N@H+]1C ZINC000741463298 574291107 /nfs/dbraw/zinc/29/11/07/574291107.db2.gz CTLQHKYSEOGZPQ-CRDJFZAASA-N 1 1 283.375 2.842 20 30 CFEDMO CCOc1ccc(/C=N\[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(O)c1 ZINC000741463437 574291610 /nfs/dbraw/zinc/29/16/10/574291610.db2.gz FQWIDYGFTUPFGL-NJPOPAGRSA-N 1 1 276.380 2.693 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000725797435 574309926 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C=C(C)C[N@H+]1CCCC2(CN(C(=O)C[C@@H]3C=CCC3)C2)C1 ZINC000981612643 613305151 /nfs/dbraw/zinc/30/51/51/613305151.db2.gz WGXSMCMHNIGHET-MRXNPFEDSA-N 1 1 288.435 2.843 20 30 CFEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CC=CCC3)C2)C1 ZINC000981615425 613305356 /nfs/dbraw/zinc/30/53/56/613305356.db2.gz HKEDUIDFSISEHA-MRXNPFEDSA-N 1 1 288.435 2.843 20 30 CFEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@@H]3CCC3(C)C)C2)C1 ZINC000981952541 613305396 /nfs/dbraw/zinc/30/53/96/613305396.db2.gz UWUIDQKJIZJMCN-HNNXBMFYSA-N 1 1 290.451 2.923 20 30 CFEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)c3cccc(C)n3)C2)C1 ZINC000981621730 613305650 /nfs/dbraw/zinc/30/56/50/613305650.db2.gz GQOUDEOYRCIXCH-UHFFFAOYSA-N 1 1 299.418 2.504 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC2(CN(C(=O)[C@H]3C[C@@]3(C)CC)C2)C1 ZINC000982096976 613305755 /nfs/dbraw/zinc/30/57/55/613305755.db2.gz YUQWEBQZGFHKLW-NVXWUHKLSA-N 1 1 290.451 2.923 20 30 CFEDMO C=C(C)C[N@H+]1CCCC2(CN(C(=O)[C@]3(C)C=CCC3)C2)C1 ZINC000981942669 613305866 /nfs/dbraw/zinc/30/58/66/613305866.db2.gz HCHVNZZJUNTTBV-QGZVFWFLSA-N 1 1 288.435 2.843 20 30 CFEDMO C=C(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC000969039085 613306106 /nfs/dbraw/zinc/30/61/06/613306106.db2.gz ABHDBTDLTZKBBE-BZUAXINKSA-N 1 1 278.440 2.969 20 30 CFEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC000968841115 613306190 /nfs/dbraw/zinc/30/61/90/613306190.db2.gz ZBZOPHRNLYLJQW-CHWSQXEVSA-N 1 1 286.366 2.579 20 30 CFEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC000969049105 613306371 /nfs/dbraw/zinc/30/63/71/613306371.db2.gz FFYQDBJWLJNGDD-CABCVRRESA-N 1 1 276.424 2.723 20 30 CFEDMO C=C(C)C[N@H+]1CCCCC[C@@H]1CNC(=O)C1CCC1 ZINC000968725097 613306388 /nfs/dbraw/zinc/30/63/88/613306388.db2.gz NLZASBBVNPCXCP-OAHLLOKOSA-N 1 1 264.413 2.723 20 30 CFEDMO C=C(C)C[N@@H+]1CCCN(C(=O)C[C@H]2CCC[C@@H]2C)CC1 ZINC000981226293 613309005 /nfs/dbraw/zinc/30/90/05/613309005.db2.gz CJIUYUJCIFLLIB-JKSUJKDBSA-N 1 1 278.440 2.923 20 30 CFEDMO C=C(C)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2C(C)(C)C)CC1 ZINC000981601915 613309954 /nfs/dbraw/zinc/30/99/54/613309954.db2.gz LYWKRNCHZSLMQE-HUUCEWRRSA-N 1 1 278.440 2.779 20 30 CFEDMO C=C(C)C[N@@H+]1CCCN(C(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC000982072326 613310947 /nfs/dbraw/zinc/31/09/47/613310947.db2.gz UAPFQXYSYWTTDT-CABCVRRESA-N 1 1 264.413 2.533 20 30 CFEDMO C=C(C)C[N@H+]1CCCN(C(=O)c2cccc(C)c2F)CC1 ZINC000981211365 613312709 /nfs/dbraw/zinc/31/27/09/613312709.db2.gz PUOPWEWURYSTDS-UHFFFAOYSA-N 1 1 290.382 2.858 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000948701319 613313767 /nfs/dbraw/zinc/31/37/67/613313767.db2.gz UUWLEUNSSDULHN-LTIDMASMSA-N 1 1 290.451 2.922 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)C2CC(C)C2)CC1 ZINC000948286278 613314584 /nfs/dbraw/zinc/31/45/84/613314584.db2.gz PJTNNIHXGIAJOQ-GPANFISMSA-N 1 1 278.440 2.922 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2cc[nH]c2)CC1 ZINC000948397660 613314924 /nfs/dbraw/zinc/31/49/24/613314924.db2.gz YTLMOIXHQBAZFU-HNNXBMFYSA-N 1 1 275.396 2.517 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)c2[nH]ccc2C)CC1 ZINC000948344479 613315230 /nfs/dbraw/zinc/31/52/30/613315230.db2.gz BNTOORGNHKKYCW-HNNXBMFYSA-N 1 1 289.423 2.826 20 30 CFEDMO C=C(C)C[NH+]1CCN(C(=O)C[C@H]2CCCC2(F)F)CC1 ZINC000949852734 613316800 /nfs/dbraw/zinc/31/68/00/613316800.db2.gz YXZVQTDYMOYMCW-CYBMUJFWSA-N 1 1 286.366 2.532 20 30 CFEDMO C=C(C)C[NH+]1CCN(C(=O)Cc2ccc(CC)cc2)CC1 ZINC000950891956 613317026 /nfs/dbraw/zinc/31/70/26/613317026.db2.gz YWISKQBNIFULEV-UHFFFAOYSA-N 1 1 286.419 2.512 20 30 CFEDMO C=C(C)C[NH+]1CCN(C(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CC1 ZINC000949199471 613318593 /nfs/dbraw/zinc/31/85/93/613318593.db2.gz UCCPMDVJAQZVAF-HOTGVXAUSA-N 1 1 290.451 2.945 20 30 CFEDMO C=C(C)C[NH+]1CCN(C(=O)[C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000949465219 613319159 /nfs/dbraw/zinc/31/91/59/613319159.db2.gz USRCZRLQBIOGGT-IRXDYDNUSA-N 1 1 290.451 2.923 20 30 CFEDMO C=C(C)C[NH+]1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 ZINC000957610350 613320745 /nfs/dbraw/zinc/32/07/45/613320745.db2.gz QJPYEHMRXLTPNY-UHFFFAOYSA-N 1 1 284.403 2.509 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC000964908123 613324510 /nfs/dbraw/zinc/32/45/10/613324510.db2.gz UJZDBKZOQTYBCP-OCCSQVGLSA-N 1 1 276.380 2.604 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)CC2CCCC2)C1 ZINC000964708173 613325579 /nfs/dbraw/zinc/32/55/79/613325579.db2.gz FOUASOJNBBFCBH-GDBMZVCRSA-N 1 1 278.440 2.969 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2cc(C)oc2C)C1 ZINC000964931356 613326206 /nfs/dbraw/zinc/32/62/06/613326206.db2.gz DGHFAKJLGOBAAD-MLGOLLRUSA-N 1 1 290.407 2.913 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2sccc2F)C1 ZINC000965996357 613326278 /nfs/dbraw/zinc/32/62/78/613326278.db2.gz QACINAHEFOIGQH-DGCLKSJQSA-N 1 1 296.411 2.904 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](C)[C@H](NC(=O)c2oc(C)cc2C)C1 ZINC000965722711 613326483 /nfs/dbraw/zinc/32/64/83/613326483.db2.gz RBCYXDLCZLJDDK-IUODEOHRSA-N 1 1 290.407 2.913 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC000940674328 613326747 /nfs/dbraw/zinc/32/67/47/613326747.db2.gz SMFUAUWATPXKDO-OAHLLOKOSA-N 1 1 276.424 2.890 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2C=CC=CC=C2)[C@H](C)C1 ZINC000942091902 613327147 /nfs/dbraw/zinc/32/71/47/613327147.db2.gz PSYIENISDPVDSK-NVXWUHKLSA-N 1 1 286.419 2.688 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)[C@@H](C)C1 ZINC000942019329 613327310 /nfs/dbraw/zinc/32/73/10/613327310.db2.gz ATVHVHAIVRWUKC-DZGCQCFKSA-N 1 1 278.440 2.825 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C[C@H]1C ZINC000947277573 613327317 /nfs/dbraw/zinc/32/73/17/613327317.db2.gz QGZACOQURUANDM-UKRRQHHQSA-N 1 1 278.440 2.968 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(C)o2)[C@H](C)C1 ZINC000941968874 613327615 /nfs/dbraw/zinc/32/76/15/613327615.db2.gz YVDVLLPZLVCARA-CZUORRHYSA-N 1 1 290.407 2.533 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CC2)C(C)(C)C1 ZINC000940655468 613328511 /nfs/dbraw/zinc/32/85/11/613328511.db2.gz NLFYONDWBKQZKD-DZGCQCFKSA-N 1 1 278.440 2.825 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2[nH]c(C)cc2C)[C@@H](C)C1 ZINC000942180733 613328739 /nfs/dbraw/zinc/32/87/39/613328739.db2.gz IZXWHBSARRIDLN-DZGCQCFKSA-N 1 1 289.423 2.648 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cc(C)[nH]c2C)C[C@@H]1C ZINC000947751454 613328972 /nfs/dbraw/zinc/32/89/72/613328972.db2.gz XWIWNJSEWLYAMO-DZGCQCFKSA-N 1 1 289.423 2.790 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccs2)[C@@H](C)C1 ZINC000941771105 613330205 /nfs/dbraw/zinc/33/02/05/613330205.db2.gz DENKLSZHGAOKSU-QWHCGFSZSA-N 1 1 278.421 2.764 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2oc(C)cc2C)[C@H](C)C1 ZINC000941936478 613331609 /nfs/dbraw/zinc/33/16/09/613331609.db2.gz OJYKOZLDGPQPKW-UKRRQHHQSA-N 1 1 290.407 2.913 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC3CC3)C2)C1 ZINC000961087158 613331937 /nfs/dbraw/zinc/33/19/37/613331937.db2.gz MGDRWXHRQJCFSV-DLBZAZTESA-N 1 1 290.451 2.923 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC000964932651 613332694 /nfs/dbraw/zinc/33/26/94/613332694.db2.gz GZWQEOMIYRGVRR-FZMZJTMJSA-N 1 1 295.814 2.684 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC000968276674 613333234 /nfs/dbraw/zinc/33/32/34/613333234.db2.gz WYIMUZVFOYFJLR-LSDHHAIUSA-N 1 1 276.424 2.745 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C)C(C)(C)C1 ZINC000941177340 613334388 /nfs/dbraw/zinc/33/43/88/613334388.db2.gz KJOSLEGFQHNSHE-ZDUSSCGKSA-N 1 1 266.429 2.825 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2occc2Cl)C1 ZINC000968234681 613334511 /nfs/dbraw/zinc/33/45/11/613334511.db2.gz PSORYWJKTSHCTM-WCQYABFASA-N 1 1 296.798 2.949 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(C3CC3)CCC2)[C@@H](C)C1 ZINC000942532632 613334731 /nfs/dbraw/zinc/33/47/31/613334731.db2.gz PABZDPFSCHTPDH-HOCLYGCPSA-N 1 1 290.451 2.969 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)C[C@@H]1C ZINC000947191723 613334769 /nfs/dbraw/zinc/33/47/69/613334769.db2.gz WZDXTODJAUPBEG-ZFWWWQNUSA-N 1 1 262.397 2.642 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)CC2CCCC2)[C@@H](C)C1 ZINC000941769925 613334891 /nfs/dbraw/zinc/33/48/91/613334891.db2.gz QYSWUCCATDNSIA-HOCLYGCPSA-N 1 1 278.440 2.969 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2cccs2)C[C@@H]1C ZINC000946991208 613335065 /nfs/dbraw/zinc/33/50/65/613335065.db2.gz MVBFVACGQPIYCC-KBPBESRZSA-N 1 1 292.448 2.836 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C)o2)C[C@H]1C ZINC000947221274 613335073 /nfs/dbraw/zinc/33/50/73/613335073.db2.gz LVJNUGPKTYNDLO-HIFRSBDPSA-N 1 1 290.407 2.676 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)C(C)(C)C1 ZINC000940655471 613335503 /nfs/dbraw/zinc/33/55/03/613335503.db2.gz NLFYONDWBKQZKD-ZFWWWQNUSA-N 1 1 278.440 2.825 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CCC3)C(C)(C)C1 ZINC000941063465 613335579 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263.410 2.536 20 30 CFEDMO CCC[N@@H+](Cc1csc(C#N)c1)[C@@H]1CCN(C)C1 ZINC000895101923 618293953 /nfs/dbraw/zinc/29/39/53/618293953.db2.gz RFNUXJHEBUTXPM-CYBMUJFWSA-N 1 1 263.410 2.536 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1occc1C ZINC001024331607 618294910 /nfs/dbraw/zinc/29/49/10/618294910.db2.gz MLEIZWLEJYAENF-AWEZNQCLSA-N 1 1 276.380 2.748 20 30 CFEDMO C[N@H+]1CCN(c2nc(C#N)c(Cl)s2)C[C@@H]1C(C)(C)C ZINC000895102527 618295083 /nfs/dbraw/zinc/29/50/83/618295083.db2.gz WYYJMMBUIZLBRU-SNVBAGLBSA-N 1 1 298.843 2.835 20 30 CFEDMO C=CC[C@H]1[N@H+](Cc2cnc3n2CCOC3)CCCC1(C)C ZINC000894060858 618299299 /nfs/dbraw/zinc/29/92/99/618299299.db2.gz ZXHHLBPTWBRBKF-OAHLLOKOSA-N 1 1 289.423 2.980 20 30 CFEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001024388489 618303727 /nfs/dbraw/zinc/30/37/27/618303727.db2.gz JMUIRCRSWPRGHL-OAHLLOKOSA-N 1 1 288.391 2.504 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)c(C)o1 ZINC001024388489 618303732 /nfs/dbraw/zinc/30/37/32/618303732.db2.gz 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/nfs/dbraw/zinc/31/99/67/618319967.db2.gz YXFNNMLMASCSKY-HZSPNIEDSA-N 1 1 269.360 2.661 20 30 CFEDMO CCCCC(N)=[NH+]OCc1noc(-c2cccs2)n1 ZINC000067098848 618328671 /nfs/dbraw/zinc/32/86/71/618328671.db2.gz UVEIOSGOFOZCQA-UHFFFAOYSA-N 1 1 280.353 2.777 20 30 CFEDMO C=CCn1cccc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCC ZINC001024481054 618329336 /nfs/dbraw/zinc/32/93/36/618329336.db2.gz SHWZJXUPLSYTPA-HNNXBMFYSA-N 1 1 289.423 2.668 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(F)c(F)c1 ZINC001024480389 618329797 /nfs/dbraw/zinc/32/97/97/618329797.db2.gz ISDZCONKOKNQOT-CYBMUJFWSA-N 1 1 294.345 2.735 20 30 CFEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCc3sccc3C2)cc1 ZINC000034673979 618330348 /nfs/dbraw/zinc/33/03/48/618330348.db2.gz YZTXVDLWDKDDIV-HNNXBMFYSA-N 1 1 284.384 2.711 20 30 CFEDMO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@H+]1CCCCC(C)(C)C#N ZINC000930911586 618332621 /nfs/dbraw/zinc/33/26/21/618332621.db2.gz OLVFEKVRORZXCK-MGPQQGTHSA-N 1 1 279.428 2.681 20 30 CFEDMO C[NH+](C)[C@H](CNCC#Cc1ccccc1)c1ccccc1 ZINC000893320767 618338170 /nfs/dbraw/zinc/33/81/70/618338170.db2.gz QJFMLZLLVVGZMT-LJQANCHMSA-N 1 1 278.399 2.931 20 30 CFEDMO CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000930923578 618338612 /nfs/dbraw/zinc/33/86/12/618338612.db2.gz NJOPZUJMMMVBJG-VYDXJSESSA-N 1 1 269.392 2.985 20 30 CFEDMO CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000930923578 618338619 /nfs/dbraw/zinc/33/86/19/618338619.db2.gz NJOPZUJMMMVBJG-VYDXJSESSA-N 1 1 269.392 2.985 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC12CC2 ZINC001024507563 618338823 /nfs/dbraw/zinc/33/88/23/618338823.db2.gz WMWPSCRETVYOMW-HUUCEWRRSA-N 1 1 276.424 2.723 20 30 CFEDMO C=CC[N@@H+](C[C@H](O)c1cccc(C)c1)[C@@H](C)COC ZINC000930930432 618341300 /nfs/dbraw/zinc/34/13/00/618341300.db2.gz HRRCGKWOICTJCV-HOCLYGCPSA-N 1 1 263.381 2.551 20 30 CFEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC)s1 ZINC001024540835 618354559 /nfs/dbraw/zinc/35/45/59/618354559.db2.gz OGEZFRZAYPFUQY-CYBMUJFWSA-N 1 1 290.432 2.528 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC)s1 ZINC001024540835 618354568 /nfs/dbraw/zinc/35/45/68/618354568.db2.gz OGEZFRZAYPFUQY-CYBMUJFWSA-N 1 1 290.432 2.528 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000237024048 618371147 /nfs/dbraw/zinc/37/11/47/618371147.db2.gz ROVBRWBLTYVWSC-CABCVRRESA-N 1 1 289.423 2.797 20 30 CFEDMO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000237024048 618371154 /nfs/dbraw/zinc/37/11/54/618371154.db2.gz ROVBRWBLTYVWSC-CABCVRRESA-N 1 1 289.423 2.797 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC1(C)C ZINC001024613236 618416165 /nfs/dbraw/zinc/41/61/65/618416165.db2.gz VORYBJFLNOMLFQ-CABCVRRESA-N 1 1 278.440 2.969 20 30 CFEDMO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1cccc(C#N)c1 ZINC000067248393 618417843 /nfs/dbraw/zinc/41/78/43/618417843.db2.gz CHVUONFGPSJVBF-LSDHHAIUSA-N 1 1 271.408 2.768 20 30 CFEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NCc1cccc(C#N)c1 ZINC000067248393 618417845 /nfs/dbraw/zinc/41/78/45/618417845.db2.gz CHVUONFGPSJVBF-LSDHHAIUSA-N 1 1 271.408 2.768 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001024636279 618428816 /nfs/dbraw/zinc/42/88/16/618428816.db2.gz QYBXZWLCBOHGDB-JFIYKMOQSA-N 1 1 288.435 2.561 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000895184181 618447173 /nfs/dbraw/zinc/44/71/73/618447173.db2.gz SPOOXSVRSNEXSR-CQSZACIVSA-N 1 1 254.377 2.890 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001024774280 618467170 /nfs/dbraw/zinc/46/71/70/618467170.db2.gz PTLMIDAMVZDHLY-INIZCTEOSA-N 1 1 272.392 2.765 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(F)cccc1F ZINC001024777758 618467586 /nfs/dbraw/zinc/46/75/86/618467586.db2.gz NVBXDGHLPJPQFH-GFCCVEGCSA-N 1 1 294.345 2.735 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001024778468 618468423 /nfs/dbraw/zinc/46/84/23/618468423.db2.gz ZENQIZZWSXDHOT-GOSISDBHSA-N 1 1 298.430 2.911 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000895228830 618484486 /nfs/dbraw/zinc/48/44/86/618484486.db2.gz QZZFXQSKDMLLEJ-NSHDSACASA-N 1 1 272.304 2.512 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[NH2+]C[C@@H]1CC(C)=NO1 ZINC000895304488 618524694 /nfs/dbraw/zinc/52/46/94/618524694.db2.gz OSNHRGXTOGURDQ-LBPRGKRZSA-N 1 1 292.766 2.606 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cn3ccnc3s2)C1 ZINC000895314538 618528511 /nfs/dbraw/zinc/52/85/11/618528511.db2.gz WUHXVQFCTFYVLH-NSHDSACASA-N 1 1 260.366 2.521 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccc3[nH]c(=O)oc32)C1 ZINC000895313060 618530132 /nfs/dbraw/zinc/53/01/32/618530132.db2.gz BTPBYPDSJXPGNF-NSHDSACASA-N 1 1 271.320 2.659 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1ccccc1OCC(F)F ZINC000895350538 618545195 /nfs/dbraw/zinc/54/51/95/618545195.db2.gz OIVWSYLUTKJBML-UHFFFAOYSA-N 1 1 297.345 2.802 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](Cc2c3c(nn2C)CCSC3)C1 ZINC000895390498 618563780 /nfs/dbraw/zinc/56/37/80/618563780.db2.gz VHCZVKLNAMGHKK-GFCCVEGCSA-N 1 1 277.437 2.607 20 30 CFEDMO C=C(C)C[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)C(=O)OC ZINC000895442596 618588881 /nfs/dbraw/zinc/58/88/81/618588881.db2.gz CYDJXJCHFNABQN-GJZGRUSLSA-N 1 1 295.423 2.966 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000310708011 618608139 /nfs/dbraw/zinc/60/81/39/618608139.db2.gz JCPKYEHUBXNARY-VXGBXAGGSA-N 1 1 250.317 2.747 20 30 CFEDMO Cc1cccc(C)c1NC(=O)CO[NH+]=C(N)CCC(C)C ZINC000066374574 618609539 /nfs/dbraw/zinc/60/95/39/618609539.db2.gz JIHSSJCOPILVMM-UHFFFAOYSA-N 1 1 291.395 2.967 20 30 CFEDMO CCCCC[C@H](C)NC(=O)CO[NH+]=C(N)C1CCCC1 ZINC000178139373 618626041 /nfs/dbraw/zinc/62/60/41/618626041.db2.gz WCWNDTYYBDHDBY-LBPRGKRZSA-N 1 1 283.416 2.550 20 30 CFEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC=CCCC1 ZINC001017651919 618667813 /nfs/dbraw/zinc/66/78/13/618667813.db2.gz BQSZUYFYCNBVLV-ZACQAIPSSA-N 1 1 288.435 2.984 20 30 CFEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC=CCCC1 ZINC001017651919 618667815 /nfs/dbraw/zinc/66/78/15/618667815.db2.gz BQSZUYFYCNBVLV-ZACQAIPSSA-N 1 1 288.435 2.984 20 30 CFEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001007615410 618717168 /nfs/dbraw/zinc/71/71/68/618717168.db2.gz AFWNRMZAQYPLFB-HUUCEWRRSA-N 1 1 276.424 2.723 20 30 CFEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001007615384 618717308 /nfs/dbraw/zinc/71/73/08/618717308.db2.gz AFWNRMZAQYPLFB-CABCVRRESA-N 1 1 276.424 2.723 20 30 CFEDMO N#Cc1ccc(CC[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000851876222 618738354 /nfs/dbraw/zinc/73/83/54/618738354.db2.gz ULTIQBCIHPXTGQ-ZDUSSCGKSA-N 1 1 268.282 2.985 20 30 CFEDMO CC(C)CCc1noc(CO[NH+]=C(N)C2CCCC2)n1 ZINC000172713128 618750220 /nfs/dbraw/zinc/75/02/20/618750220.db2.gz HKKVOCSJMRTNOK-UHFFFAOYSA-N 1 1 280.372 2.637 20 30 CFEDMO C=CC(C)(C)CC(=O)O[C@H](C)Cn1cc[nH+]c1C ZINC000892833316 618754704 /nfs/dbraw/zinc/75/47/04/618754704.db2.gz MAIYVAAXEQCYQQ-LLVKDONJSA-N 1 1 250.342 2.726 20 30 CFEDMO C=C(C)CN1CCC([NH2+]Cc2c(C)noc2CC)CC1 ZINC000892881244 618762670 /nfs/dbraw/zinc/76/26/70/618762670.db2.gz SSQIMYDQCOVIHM-UHFFFAOYSA-N 1 1 277.412 2.676 20 30 CFEDMO C=C1CCC(C(=O)NC(C)(C)C[N@H+](C)CCC)CC1 ZINC000893044567 618813396 /nfs/dbraw/zinc/81/33/96/618813396.db2.gz KSWXCBGHFZVQLT-UHFFFAOYSA-N 1 1 266.429 2.969 20 30 CFEDMO CCc1c[nH]c2nc[nH+]c(N3CCC(CC#N)CC3)c12 ZINC000893119642 618837390 /nfs/dbraw/zinc/83/73/90/618837390.db2.gz WKODQTVXRLOLJL-UHFFFAOYSA-N 1 1 269.352 2.650 20 30 CFEDMO Cc1cc(CO[NH+]=C(N)C2CCCCCC2)on1 ZINC000179003623 618848562 /nfs/dbraw/zinc/84/85/62/618848562.db2.gz BMDKOYOGMNSBPS-UHFFFAOYSA-N 1 1 251.330 2.742 20 30 CFEDMO C[NH+]1CCC[C@@]2(CC[N@@H+](CC3CCC(C#N)CC3)C2)C1 ZINC000930575988 618871338 /nfs/dbraw/zinc/87/13/38/618871338.db2.gz AVBQEPFZNSGNLQ-OFLPRAFFSA-N 1 1 275.440 2.734 20 30 CFEDMO CN1CCC[C@@]2(CC[N@H+](CC3CCC(C#N)CC3)C2)C1 ZINC000930575988 618871339 /nfs/dbraw/zinc/87/13/39/618871339.db2.gz AVBQEPFZNSGNLQ-OFLPRAFFSA-N 1 1 275.440 2.734 20 30 CFEDMO CN1CCC[C@@]2(CC[N@@H+](CC3CCC(C#N)CC3)C2)C1 ZINC000930575988 618871342 /nfs/dbraw/zinc/87/13/42/618871342.db2.gz AVBQEPFZNSGNLQ-OFLPRAFFSA-N 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C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)C3=CCCC3)CCC[C@@H]12 ZINC000990221384 620412881 /nfs/dbraw/zinc/41/28/81/620412881.db2.gz GHCKKQNXGGKSQT-GDBMZVCRSA-N 1 1 294.826 2.962 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)C3=CCCC3)CCC[C@@H]12 ZINC000990221384 620412884 /nfs/dbraw/zinc/41/28/84/620412884.db2.gz GHCKKQNXGGKSQT-GDBMZVCRSA-N 1 1 294.826 2.962 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC3(C)C)CCC[C@@H]12 ZINC000990268235 620413933 /nfs/dbraw/zinc/41/39/33/620413933.db2.gz WLBDLRFZVPLKKB-JJRVBVJISA-N 1 1 276.424 2.722 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ccoc3Cl)CCC[C@H]12 ZINC000990376346 620416313 /nfs/dbraw/zinc/41/63/13/620416313.db2.gz QBUTVKBADVTEBL-SWLSCSKDSA-N 1 1 294.782 2.846 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3sccc3F)CCC[C@H]12 ZINC000990496817 620426876 /nfs/dbraw/zinc/42/68/76/620426876.db2.gz OPVZHXYQNNHLEC-SWLSCSKDSA-N 1 1 294.395 2.800 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3c(C)coc3C)CCC[C@H]12 ZINC000990514370 620428221 /nfs/dbraw/zinc/42/82/21/620428221.db2.gz LJHNKLUKHPIXJY-WMLDXEAASA-N 1 1 288.391 2.809 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3ccncc3C)CCC[C@@H]12 ZINC000990542130 620429603 /nfs/dbraw/zinc/42/96/03/620429603.db2.gz HMBMXLDNSGRWIO-SJLPKXTDSA-N 1 1 299.418 2.693 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C(C)=C3CCC3)CCC[C@H]12 ZINC000990642046 620437907 /nfs/dbraw/zinc/43/79/07/620437907.db2.gz ZBYGTFDQXDAGDA-RDJZCZTQSA-N 1 1 274.408 2.786 20 30 CFEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCc1ccc(C#N)cc1F ZINC000923894783 620448374 /nfs/dbraw/zinc/44/83/74/620448374.db2.gz UNMZSZHQKXQJDS-HNNXBMFYSA-N 1 1 290.338 2.613 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCc1ccc(C#N)cc1F ZINC000923894783 620448377 /nfs/dbraw/zinc/44/83/77/620448377.db2.gz UNMZSZHQKXQJDS-HNNXBMFYSA-N 1 1 290.338 2.613 20 30 CFEDMO C=C1CN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000898699932 620489087 /nfs/dbraw/zinc/48/90/87/620489087.db2.gz WWZIWBLLZKJFTQ-OAHLLOKOSA-N 1 1 299.418 2.892 20 30 CFEDMO C=CC(C)(C)C(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899511493 620576511 /nfs/dbraw/zinc/57/65/11/620576511.db2.gz OSVMQSRDHMUIAC-UHFFFAOYSA-N 1 1 275.396 2.945 20 30 CFEDMO C=CCCC(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899506468 620576899 /nfs/dbraw/zinc/57/68/99/620576899.db2.gz NFWBMIUFPGTYRJ-UHFFFAOYSA-N 1 1 261.369 2.699 20 30 CFEDMO C=CC[C@@H]([NH2+]CCC1CCC(F)(F)CC1)C(=O)OC ZINC000901686916 620894337 /nfs/dbraw/zinc/89/43/37/620894337.db2.gz XWACHQDEBWMVJY-GFCCVEGCSA-N 1 1 275.339 2.909 20 30 CFEDMO C=C(C)C[N@H+](C)CN1C[C@@H](c2ccc(F)cc2)CC1=O ZINC000902212795 620993973 /nfs/dbraw/zinc/99/39/73/620993973.db2.gz KPHUMHPDTHKHEZ-AWEZNQCLSA-N 1 1 276.355 2.607 20 30 CFEDMO C=C(C)C[N@@H+](C)CN1C[C@@H](c2ccc(F)cc2)CC1=O ZINC000902212795 620993975 /nfs/dbraw/zinc/99/39/75/620993975.db2.gz KPHUMHPDTHKHEZ-AWEZNQCLSA-N 1 1 276.355 2.607 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC(F)(F)C3)CCC[C@@H]12 ZINC000990997850 621068899 /nfs/dbraw/zinc/06/88/99/621068899.db2.gz NXTHAUXYGJMRDQ-GZBFAFLISA-N 1 1 298.377 2.721 20 30 CFEDMO N#Cc1ccc2c(c1)[C@H](N[C@@H]1Cc3ccccc3[C@H]1[NH3+])CC2 ZINC000902436196 621079177 /nfs/dbraw/zinc/07/91/77/621079177.db2.gz XZXAXZIJJXQGRD-GUDVDZBRSA-N 1 1 289.382 2.760 20 30 CFEDMO C=CCc1cc(C[N@H+](C)[C@@H]2CC[C@@H]2OC)c(O)c(OC)c1 ZINC000902636018 621140297 /nfs/dbraw/zinc/14/02/97/621140297.db2.gz DGMIBLYIJPSMLM-CABCVRRESA-N 1 1 291.391 2.739 20 30 CFEDMO C[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)[N@H+]1CCCC[C@@H]1C ZINC000902746797 621163755 /nfs/dbraw/zinc/16/37/55/621163755.db2.gz OKPIRXSRKHIXQL-KKUMJFAQSA-N 1 1 286.423 2.867 20 30 CFEDMO C[C@@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)N1CCCC[C@@H]1C ZINC000902746797 621163757 /nfs/dbraw/zinc/16/37/57/621163757.db2.gz OKPIRXSRKHIXQL-KKUMJFAQSA-N 1 1 286.423 2.867 20 30 CFEDMO CC[C@H](NC[C@@H](C1CC1)[NH+](C)C)c1cccc(C#N)c1 ZINC000902756264 621165705 /nfs/dbraw/zinc/16/57/05/621165705.db2.gz DPPPOUACZPFNJG-IRXDYDNUSA-N 1 1 271.408 2.939 20 30 CFEDMO CC(C)C[C@@H](C[NH+](C)C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902789682 621177171 /nfs/dbraw/zinc/17/71/71/621177171.db2.gz IVWAHVNSGWQBMQ-ZFWWWQNUSA-N 1 1 274.412 2.580 20 30 CFEDMO C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1cc(C#N)ccn1 ZINC000902793103 621178280 /nfs/dbraw/zinc/17/82/80/621178280.db2.gz FPQXWNOQAHPEEO-ABAIWWIYSA-N 1 1 279.343 2.997 20 30 CFEDMO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902830915 621186619 /nfs/dbraw/zinc/18/66/19/621186619.db2.gz UCNQFCLKLGDEAK-SUMWQHHRSA-N 1 1 281.359 2.646 20 30 CFEDMO CCC1(CC(N)=[NH+]O[C@H](C)c2cccc(C#N)c2)COC1 ZINC000902873233 621194484 /nfs/dbraw/zinc/19/44/84/621194484.db2.gz AKVJRZQHXCDWIP-GFCCVEGCSA-N 1 1 287.363 2.934 20 30 CFEDMO CCC1(CC(N)=[NH+]OCc2ccc(C#N)cc2C)COC1 ZINC000902873890 621194662 /nfs/dbraw/zinc/19/46/62/621194662.db2.gz VCUHZEMAFVFACK-UHFFFAOYSA-N 1 1 287.363 2.682 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1)[C@@H]1CCCO1 ZINC000902958899 621214145 /nfs/dbraw/zinc/21/41/45/621214145.db2.gz WSQWUVLGVOAOCL-JKOKRWQUSA-N 1 1 298.308 2.932 20 30 CFEDMO COc1ccc(F)cc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902959242 621214839 /nfs/dbraw/zinc/21/48/39/621214839.db2.gz FMVYLELRUCRISP-LLVKDONJSA-N 1 1 285.322 2.952 20 30 CFEDMO C[C@H](NC[C@H]1[N@H+](C)CCCC1(C)C)c1cc(C#N)ccn1 ZINC000902976836 621216296 /nfs/dbraw/zinc/21/62/96/621216296.db2.gz VLEZWPNDIKJKFP-XJKSGUPXSA-N 1 1 286.423 2.724 20 30 CFEDMO C[C@H](NC[C@H]1[N@@H+](C)CCCC1(C)C)c1cc(C#N)ccn1 ZINC000902976836 621216297 /nfs/dbraw/zinc/21/62/97/621216297.db2.gz VLEZWPNDIKJKFP-XJKSGUPXSA-N 1 1 286.423 2.724 20 30 CFEDMO C[C@H](NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(C#N)ccn1 ZINC000902973974 621221364 /nfs/dbraw/zinc/22/13/64/621221364.db2.gz ZHQIKVZDNZWCBT-XJKSGUPXSA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@H](NC[C@H]1CCCC[N@H+]1C1CC1)c1cc(C#N)ccn1 ZINC000902973974 621221366 /nfs/dbraw/zinc/22/13/66/621221366.db2.gz ZHQIKVZDNZWCBT-XJKSGUPXSA-N 1 1 284.407 2.621 20 30 CFEDMO Cc1cc2ncc([C@H](C)[NH2+]CC3(C#N)CCC3)c(C)n2n1 ZINC000903031570 621230458 /nfs/dbraw/zinc/23/04/58/621230458.db2.gz MBIPVSLUOVRWFF-LBPRGKRZSA-N 1 1 283.379 2.691 20 30 CFEDMO C=CCCCCC[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903024882 621234317 /nfs/dbraw/zinc/23/43/17/621234317.db2.gz ZGMOPZRZEYTCRC-AWEZNQCLSA-N 1 1 260.385 2.709 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903027711 621235184 /nfs/dbraw/zinc/23/51/84/621235184.db2.gz VZXVCGXILPXTRA-BBRMVZONSA-N 1 1 293.374 2.596 20 30 CFEDMO C[C@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(C#N)ccn1 ZINC000903058461 621236713 /nfs/dbraw/zinc/23/67/13/621236713.db2.gz HHHNZBUOGHSZAQ-YOEHRIQHSA-N 1 1 298.434 2.726 20 30 CFEDMO CC[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1cccc(C#N)c1 ZINC000903047089 621240454 /nfs/dbraw/zinc/24/04/54/621240454.db2.gz HBXWIUCNBHZMME-CQDKDKBSSA-N 1 1 281.363 2.896 20 30 CFEDMO COc1ccc2c(c1F)CC[C@@H]2[NH2+]CC(C)(C)C#N ZINC000903101683 621253560 /nfs/dbraw/zinc/25/35/60/621253560.db2.gz KTNWHTWFRVUUNG-LBPRGKRZSA-N 1 1 262.328 2.961 20 30 CFEDMO COc1cccc2c1OCCC[C@@H]2[NH2+]CC1(C#N)CC1 ZINC000903105677 621255139 /nfs/dbraw/zinc/25/51/39/621255139.db2.gz HSVWULYFFSXTJC-ZDUSSCGKSA-N 1 1 272.348 2.802 20 30 CFEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CCC2)cc([N+](=O)[O-])c1 ZINC000903191889 621280308 /nfs/dbraw/zinc/28/03/08/621280308.db2.gz GDMRUOZJOXKXDN-NSHDSACASA-N 1 1 289.335 2.948 20 30 CFEDMO COc1ccc2c(c1)[C@@H]([NH2+]Cc1nc(C#N)cs1)CC2 ZINC000903262733 621303629 /nfs/dbraw/zinc/30/36/29/621303629.db2.gz HIFIVOVZPLQZAG-AWEZNQCLSA-N 1 1 285.372 2.800 20 30 CFEDMO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ncc(Br)cn1 ZINC000903326305 621338839 /nfs/dbraw/zinc/33/88/39/621338839.db2.gz ZLWYKCNYZGEALW-SECBINFHSA-N 1 1 297.200 2.657 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@@](C)(CN)C(C)C ZINC000903426844 621370236 /nfs/dbraw/zinc/37/02/36/621370236.db2.gz PQYLHNAIVGNUJB-INIZCTEOSA-N 1 1 259.397 2.638 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN[C@@](C)(C[NH3+])C(C)C ZINC000903426844 621370238 /nfs/dbraw/zinc/37/02/38/621370238.db2.gz PQYLHNAIVGNUJB-INIZCTEOSA-N 1 1 259.397 2.638 20 30 CFEDMO N#CC1CCC(C[N@H+]2CCNCC23CCCCC3)CC1 ZINC000903446460 621384427 /nfs/dbraw/zinc/38/44/27/621384427.db2.gz WZIFCXRBBZNQMA-UHFFFAOYSA-N 1 1 275.440 2.924 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN[C@H]1CC[NH2+]CC1(C)C ZINC000903454862 621387874 /nfs/dbraw/zinc/38/78/74/621387874.db2.gz LMBHLLBJTABZMY-INIZCTEOSA-N 1 1 271.408 2.653 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000903580482 621398273 /nfs/dbraw/zinc/39/82/73/621398273.db2.gz YOEMYAVJRSKFHW-GOEBONIOSA-N 1 1 299.418 2.730 20 30 CFEDMO C[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@@H]1CN ZINC000903717136 621424628 /nfs/dbraw/zinc/42/46/28/621424628.db2.gz HMEVFQPGOLUYKB-LSDHHAIUSA-N 1 1 263.429 2.910 20 30 CFEDMO C[C@H]1CCCN(CCCCC2(C#N)CCC2)[C@@H]1C[NH3+] ZINC000903717136 621424630 /nfs/dbraw/zinc/42/46/30/621424630.db2.gz HMEVFQPGOLUYKB-LSDHHAIUSA-N 1 1 263.429 2.910 20 30 CFEDMO C=CCN(Cc1cccs1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903718415 621425155 /nfs/dbraw/zinc/42/51/55/621425155.db2.gz MEMMRSGPAYQAET-GDBMZVCRSA-N 1 1 292.448 2.505 20 30 CFEDMO C=C(Cl)CN1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903791462 621439120 /nfs/dbraw/zinc/43/91/20/621439120.db2.gz YDMAHKZMGAPTSH-UHFFFAOYSA-N 1 1 264.800 2.731 20 30 CFEDMO N#CCc1cccc2c1CCN(C[C@@H]1CCCC[NH2+]C1)C2 ZINC000903776308 621440069 /nfs/dbraw/zinc/44/00/69/621440069.db2.gz SAYBHWSBCXEDDC-OAHLLOKOSA-N 1 1 283.419 2.500 20 30 CFEDMO C[C@@H](C(=O)N(O)Cc1cc(Cl)cc(Cl)c1)[NH+](C)C ZINC000904178526 621543737 /nfs/dbraw/zinc/54/37/37/621543737.db2.gz MNCJBMFMRGVFLL-QMMMGPOBSA-N 1 1 291.178 2.661 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cccnc2OCC)no1 ZINC000904566324 621611107 /nfs/dbraw/zinc/61/11/07/621611107.db2.gz SFPJHQYCXUJEIN-LBPRGKRZSA-N 1 1 288.351 2.886 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc([C@H]2CCOC[C@@H]2C)no1 ZINC000904711105 621628376 /nfs/dbraw/zinc/62/83/76/621628376.db2.gz GJPBKLRWXBDFQS-SRVKXCTJSA-N 1 1 265.357 2.566 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2c(C)noc2C)no1 ZINC000904733334 621633801 /nfs/dbraw/zinc/63/38/01/621633801.db2.gz HGFJCNVNPBHFSC-JTQLQIEISA-N 1 1 262.313 2.698 20 30 CFEDMO C=C[C@H](Cc1nc(C2([NH3+])CC2)no1)c1ccccc1 ZINC000905323692 621742518 /nfs/dbraw/zinc/74/25/18/621742518.db2.gz GSKQCTNNMIBXMR-LLVKDONJSA-N 1 1 255.321 2.530 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001015858325 625515230 /nfs/dbraw/zinc/51/52/30/625515230.db2.gz NORJQROCZRSCRJ-GFCCVEGCSA-N 1 1 293.436 2.647 20 30 CFEDMO Cc1cc(Cl)ccc1N[NH2+]C1=CC(=O)N2CCC[C@@H]12 ZINC000905506059 621783176 /nfs/dbraw/zinc/78/31/76/621783176.db2.gz HDUPNXBXYRDKNZ-ZDUSSCGKSA-N 1 1 277.755 2.811 20 30 CFEDMO C=CC[C@@H]([NH2+]CCCCc1ccccc1)C(=O)OC ZINC000905747057 621831144 /nfs/dbraw/zinc/83/11/44/621831144.db2.gz HVKOHGUNHNWBLC-OAHLLOKOSA-N 1 1 261.365 2.717 20 30 CFEDMO C=CC[C@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)C(=O)OC ZINC000905765225 621856322 /nfs/dbraw/zinc/85/63/22/621856322.db2.gz BJBKTTSXKAACSC-KBPBESRZSA-N 1 1 281.396 2.576 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)n1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000905807713 621869096 /nfs/dbraw/zinc/86/90/96/621869096.db2.gz MXMCHWZEVOSEKW-CYBMUJFWSA-N 1 1 297.406 2.989 20 30 CFEDMO Cc1cccc([C@@H](O)C[N@@H+](CCC#N)CC(C)C)c1 ZINC000905884191 621890471 /nfs/dbraw/zinc/89/04/71/621890471.db2.gz PFCALROAMSXJLG-INIZCTEOSA-N 1 1 260.381 2.900 20 30 CFEDMO Cc1cccc([C@@H](O)C[N@H+](CCC#N)CC(C)C)c1 ZINC000905884191 621890477 /nfs/dbraw/zinc/89/04/77/621890477.db2.gz PFCALROAMSXJLG-INIZCTEOSA-N 1 1 260.381 2.900 20 30 CFEDMO CC1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@H]1C1CC1 ZINC000905960092 621912624 /nfs/dbraw/zinc/91/26/24/621912624.db2.gz WYLKSWBSAMOOJD-KBPBESRZSA-N 1 1 262.397 2.552 20 30 CFEDMO C=C[C@H](CC)CC(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@H]1C ZINC000905982336 621913711 /nfs/dbraw/zinc/91/37/11/621913711.db2.gz ABQNUDFJHOKLHQ-XJFOESAGSA-N 1 1 252.402 2.528 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000905981695 621913733 /nfs/dbraw/zinc/91/37/33/621913733.db2.gz XATRDCJAFKJBFX-QGZVFWFLSA-N 1 1 299.418 2.639 20 30 CFEDMO Cc1[nH+]ccn1CCCNC(=O)c1cc(C)c(C#N)c(C)c1 ZINC000906355568 621979723 /nfs/dbraw/zinc/97/97/23/621979723.db2.gz IITVEIHXOVLIDC-UHFFFAOYSA-N 1 1 296.374 2.500 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)C2(C3CCCCC3)CC2)CC1 ZINC000906483639 621994640 /nfs/dbraw/zinc/99/46/40/621994640.db2.gz MAVZIYDLHSWWMB-UHFFFAOYSA-N 1 1 288.435 2.514 20 30 CFEDMO CC[N@@H+](CCNC(=O)[C@@]1(C#N)CC2CCC1CC2)C(C)C ZINC000906682417 622029386 /nfs/dbraw/zinc/02/93/86/622029386.db2.gz OVYWVQDLXMVGFX-VMBOVVBDSA-N 1 1 291.439 2.553 20 30 CFEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccsc1C#N ZINC000906686823 622030437 /nfs/dbraw/zinc/03/04/37/622030437.db2.gz UVJOYCNGKWVJPB-GFCCVEGCSA-N 1 1 291.420 2.614 20 30 CFEDMO CCCC[N@@H+](C)CCNC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000906659408 622031026 /nfs/dbraw/zinc/03/10/26/622031026.db2.gz HAMPEIOJNLACIG-DQPZFDDXSA-N 1 1 291.439 2.555 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@]2(C#N)CCC[C@H](C)C2)C1 ZINC000906721741 622034521 /nfs/dbraw/zinc/03/45/21/622034521.db2.gz PZRIXHODNZEUCX-YQQAZPJKSA-N 1 1 291.439 2.697 20 30 CFEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccsc1C#N ZINC000906816837 622046871 /nfs/dbraw/zinc/04/68/71/622046871.db2.gz IJYNQCBIJWDIBY-GFCCVEGCSA-N 1 1 291.420 2.566 20 30 CFEDMO C#CCOc1ccccc1NC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000907502897 622132642 /nfs/dbraw/zinc/13/26/42/622132642.db2.gz DUQHUDUWBBDXSH-GDBMZVCRSA-N 1 1 298.386 2.654 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CCCC(C)(C)[C@H]2C#N)C1 ZINC000907762267 622160385 /nfs/dbraw/zinc/16/03/85/622160385.db2.gz JZXCTFCTPGUASY-LSDHHAIUSA-N 1 1 291.439 2.649 20 30 CFEDMO C=C(CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)c1ccccc1 ZINC000908207999 622204392 /nfs/dbraw/zinc/20/43/92/622204392.db2.gz WBHWHXAUKNXZSV-IRXDYDNUSA-N 1 1 284.403 2.833 20 30 CFEDMO C=CCCCC(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000908574124 622247230 /nfs/dbraw/zinc/24/72/30/622247230.db2.gz SDPUPFRPZGJKIM-UHFFFAOYSA-N 1 1 264.413 2.820 20 30 CFEDMO C#CCCCCC(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000908573046 622247380 /nfs/dbraw/zinc/24/73/80/622247380.db2.gz MGXYVKYPOZGLOA-UHFFFAOYSA-N 1 1 276.424 2.657 20 30 CFEDMO C#CC[N@H+](CC(=O)NCCCc1ccccc1)C1CCCC1 ZINC000155757815 622437233 /nfs/dbraw/zinc/43/72/33/622437233.db2.gz WQCFNQGAQWHAOC-UHFFFAOYSA-N 1 1 298.430 2.613 20 30 CFEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C3CCC3)CCC[C@H]12 ZINC000991332041 622522515 /nfs/dbraw/zinc/52/25/15/622522515.db2.gz OTWPCEBPNMCPNI-QILLFSRXSA-N 1 1 288.435 2.559 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000184093654 625574112 /nfs/dbraw/zinc/57/41/12/625574112.db2.gz CJRSDRHTNHCWCH-OCCSQVGLSA-N 1 1 257.337 2.759 20 30 CFEDMO C[C@H]1CC(N=Nc2cc(Cl)nc(Cl)c2)C[N@H+]1C ZINC000819828596 622565480 /nfs/dbraw/zinc/56/54/80/622565480.db2.gz JMZPORDEFNRTSG-ZETCQYMHSA-N 1 1 273.167 2.880 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3[nH]c(C)cc3C)CCC[C@@H]12 ZINC000991419925 622811582 /nfs/dbraw/zinc/81/15/82/622811582.db2.gz ZGQXSCWQNRGQHG-PBHICJAKSA-N 1 1 287.407 2.544 20 30 CFEDMO CCCCC(N)=[NH+]OCC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000151313808 622888644 /nfs/dbraw/zinc/88/86/44/622888644.db2.gz KHPYXDRBTNWTIL-OLZOCXBDSA-N 1 1 283.416 2.503 20 30 CFEDMO C=C(Br)C[NH2+][C@@H](c1cccnc1)C(C)(C)CO ZINC000821336422 622897217 /nfs/dbraw/zinc/89/72/17/622897217.db2.gz AQOBBHAFYRMKMG-LBPRGKRZSA-N 1 1 299.212 2.639 20 30 CFEDMO CC[N@@H+](C[C@H]1CCC(=O)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821362735 622904823 /nfs/dbraw/zinc/90/48/23/622904823.db2.gz OUWSSKMCVOVYMG-SWLSCSKDSA-N 1 1 272.348 2.647 20 30 CFEDMO C=CCCC[N@@H+](C)CN1C(=O)C[C@](C)(CC(C)C)C1=O ZINC000156297804 622918151 /nfs/dbraw/zinc/91/81/51/622918151.db2.gz DEUZLHTUSNUHDJ-INIZCTEOSA-N 1 1 280.412 2.653 20 30 CFEDMO C=CCCC[N@H+](C)CN1C(=O)C[C@](C)(CC(C)C)C1=O ZINC000156297804 622918153 /nfs/dbraw/zinc/91/81/53/622918153.db2.gz DEUZLHTUSNUHDJ-INIZCTEOSA-N 1 1 280.412 2.653 20 30 CFEDMO CCCCCCC[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000156684183 622954249 /nfs/dbraw/zinc/95/42/49/622954249.db2.gz UNFKUMNUJTVNBG-OAHLLOKOSA-N 1 1 254.418 2.757 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)cc(C)n3)CCC[C@H]12 ZINC000991503861 622950421 /nfs/dbraw/zinc/95/04/21/622950421.db2.gz OBKAWXACSMAIHX-WMZOPIPTSA-N 1 1 299.418 2.611 20 30 CFEDMO C=C[C@H](CC)CC(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000821782007 622974760 /nfs/dbraw/zinc/97/47/60/622974760.db2.gz RQJWYDHFYOKWQF-KGLIPLIRSA-N 1 1 252.402 2.531 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000822088790 623032923 /nfs/dbraw/zinc/03/29/23/623032923.db2.gz GCECCTIKDVOCTI-HOCLYGCPSA-N 1 1 272.392 2.762 20 30 CFEDMO CCCCCCC[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000157658187 623044359 /nfs/dbraw/zinc/04/43/59/623044359.db2.gz RQDNSXBDDBZDDQ-HNNXBMFYSA-N 1 1 254.418 2.805 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)s1)C[C@](C)(O)c1ccccc1 ZINC000822516317 623119871 /nfs/dbraw/zinc/11/98/71/623119871.db2.gz KYHKAXKJPYSYLE-INIZCTEOSA-N 1 1 286.400 2.959 20 30 CFEDMO C=CC[N@@H+](CC[C@@H]1CC1(Cl)Cl)CC(=O)OCC ZINC000822587894 623131639 /nfs/dbraw/zinc/13/16/39/623131639.db2.gz JFYABVYDSKQATA-SNVBAGLBSA-N 1 1 280.195 2.621 20 30 CFEDMO C=CC[N@H+](CC[C@@H]1CC1(Cl)Cl)CC(=O)OCC ZINC000822587894 623131642 /nfs/dbraw/zinc/13/16/42/623131642.db2.gz JFYABVYDSKQATA-SNVBAGLBSA-N 1 1 280.195 2.621 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cccc3[nH]ccc32)no1 ZINC000822729095 623161749 /nfs/dbraw/zinc/16/17/49/623161749.db2.gz RNJDFPDZXGVZQJ-GFCCVEGCSA-N 1 1 281.319 2.912 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 ZINC000823283774 623283353 /nfs/dbraw/zinc/28/33/53/623283353.db2.gz FTILYEWKAVWCFQ-WMLDXEAASA-N 1 1 299.418 2.950 20 30 CFEDMO C=C(Br)C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000076868871 623283618 /nfs/dbraw/zinc/28/36/18/623283618.db2.gz ATEYVVNWTDOTHO-UHFFFAOYSA-N 1 1 293.164 2.526 20 30 CFEDMO CCCCCCC[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823469674 623328836 /nfs/dbraw/zinc/32/88/36/623328836.db2.gz ZNXLGZUGYLHKJJ-CQSZACIVSA-N 1 1 250.390 2.885 20 30 CFEDMO C#CC[N@H+](CCC(=O)OCC)[C@H]1CCc2ccccc21 ZINC000173218347 623337304 /nfs/dbraw/zinc/33/73/04/623337304.db2.gz PPYGEUFLQDEJDJ-INIZCTEOSA-N 1 1 271.360 2.562 20 30 CFEDMO N#Cc1ccc(OCCO[NH+]=C(N)C2CCCCC2)cc1 ZINC000063458836 623352708 /nfs/dbraw/zinc/35/27/08/623352708.db2.gz IPEWGFLMUHXGIX-UHFFFAOYSA-N 1 1 287.363 2.806 20 30 CFEDMO C[N@@H+](CCC(C)(C)C#N)C[C@](C)(O)c1ccccc1 ZINC000823605433 623359307 /nfs/dbraw/zinc/35/93/07/623359307.db2.gz KMQRNHMRKPVMSV-INIZCTEOSA-N 1 1 260.381 2.766 20 30 CFEDMO C=C(Br)CN(C)CC[C@@H]1CCCC[N@H+]1C ZINC000173955253 623376773 /nfs/dbraw/zinc/37/67/73/623376773.db2.gz NFTIMUKUQUGLMF-LBPRGKRZSA-N 1 1 275.234 2.701 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)CC1CCCC1 ZINC000232135529 623390392 /nfs/dbraw/zinc/39/03/92/623390392.db2.gz UUMMHYVKQJCGHL-HNNXBMFYSA-N 1 1 252.402 2.799 20 30 CFEDMO C#CCN(C(=O)C[N@H+](C)CCCCCC)C1CCCC1 ZINC000757171291 623439344 /nfs/dbraw/zinc/43/93/44/623439344.db2.gz AEGCACWPAKQDSA-UHFFFAOYSA-N 1 1 278.440 2.903 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(C#N)c2)CCCO1 ZINC000929487096 623446947 /nfs/dbraw/zinc/44/69/47/623446947.db2.gz DMZUMGAPFNZBSB-LLVKDONJSA-N 1 1 264.756 2.822 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CCCO1 ZINC000929487096 623446949 /nfs/dbraw/zinc/44/69/49/623446949.db2.gz DMZUMGAPFNZBSB-LLVKDONJSA-N 1 1 264.756 2.822 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C)CCC[C@@H]12 ZINC000992114262 623458106 /nfs/dbraw/zinc/45/81/06/623458106.db2.gz UFYCICMURMSVHN-BPGGGUHBSA-N 1 1 282.815 2.508 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C)CCC[C@@H]12 ZINC000992114262 623458109 /nfs/dbraw/zinc/45/81/09/623458109.db2.gz UFYCICMURMSVHN-BPGGGUHBSA-N 1 1 282.815 2.508 20 30 CFEDMO C=C[C@H](CC)CC(=O)N1C[C@@H](C)[N@H+](CC)[C@@H](C)C1 ZINC000824214253 623470055 /nfs/dbraw/zinc/47/00/55/623470055.db2.gz HESAXJRUHGAOLB-HZSPNIEDSA-N 1 1 252.402 2.530 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3CC4(CC4)C3)CCC[C@H]12 ZINC000992179643 623477939 /nfs/dbraw/zinc/47/79/39/623477939.db2.gz PWVDDBWZIDEROJ-YJBOKZPZSA-N 1 1 288.435 2.866 20 30 CFEDMO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC1CCCC1 ZINC000824277458 623481833 /nfs/dbraw/zinc/48/18/33/623481833.db2.gz VAJCZWYGMLOJQE-FUJMWEONSA-N 1 1 278.396 2.923 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)C[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000824297831 623486114 /nfs/dbraw/zinc/48/61/14/623486114.db2.gz ZIOJEYUYPHKUQX-KGLIPLIRSA-N 1 1 282.428 2.737 20 30 CFEDMO Cc1ccc(C#N)cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000824368673 623496861 /nfs/dbraw/zinc/49/68/61/623496861.db2.gz TXQFNMWNMIWSPB-IRXDYDNUSA-N 1 1 297.402 2.613 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC34CCC4)CCC[C@H]12 ZINC000992254464 623499842 /nfs/dbraw/zinc/49/98/42/623499842.db2.gz BFJWGVAEGDCPEC-RVKKMQEKSA-N 1 1 288.435 2.866 20 30 CFEDMO CCCCCCCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000758204821 623501790 /nfs/dbraw/zinc/50/17/90/623501790.db2.gz XQUWVNSOWGHWNN-ZFWWWQNUSA-N 1 1 266.429 2.946 20 30 CFEDMO C#CC[N@H+](Cc1cnc2n1CCC2)[C@H]1CCc2ccccc21 ZINC000824474910 623511116 /nfs/dbraw/zinc/51/11/16/623511116.db2.gz VTGSPWRJEOJBHO-SFHVURJKSA-N 1 1 291.398 2.952 20 30 CFEDMO C#CC[N@@H+](Cc1cnc2n1CCC2)[C@H]1CCc2ccccc21 ZINC000824474910 623511119 /nfs/dbraw/zinc/51/11/19/623511119.db2.gz VTGSPWRJEOJBHO-SFHVURJKSA-N 1 1 291.398 2.952 20 30 CFEDMO CCC[N@@H+](Cc1cncc(C#N)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000929695804 623513613 /nfs/dbraw/zinc/51/36/13/623513613.db2.gz HXGWDRMERIYOFN-BRWVUGGUSA-N 1 1 299.418 2.979 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC34CCCC4)CCC[C@@H]12 ZINC000992378292 623527983 /nfs/dbraw/zinc/52/79/83/623527983.db2.gz IXLVFQFRUFIZLX-IIDMSEBBSA-N 1 1 288.435 2.866 20 30 CFEDMO C#CC[N@H+](CC)Cc1ccc(O[C@H](C)COC)cc1 ZINC000824621533 623534270 /nfs/dbraw/zinc/53/42/70/623534270.db2.gz QZNIMGQDFCYEBM-CQSZACIVSA-N 1 1 261.365 2.555 20 30 CFEDMO Cc1ccc(C#N)cc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000824658686 623541262 /nfs/dbraw/zinc/54/12/62/623541262.db2.gz NYLVAKBQZNNBID-HNNXBMFYSA-N 1 1 299.418 2.717 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 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CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2cccc(C)c2Cl)C1 ZINC001015241944 623661061 /nfs/dbraw/zinc/66/10/61/623661061.db2.gz BVZVMELMFJIKBK-CQSZACIVSA-N 1 1 292.810 2.567 20 30 CFEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H]1CCC2(COC2)O1 ZINC000929778939 623666321 /nfs/dbraw/zinc/66/63/21/623666321.db2.gz JEVRPEJKGHAWHN-HNNXBMFYSA-N 1 1 280.412 2.586 20 30 CFEDMO CCCCCCC[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000152239190 623669929 /nfs/dbraw/zinc/66/99/29/623669929.db2.gz QLZUXZKCNQJABD-LSDHHAIUSA-N 1 1 255.402 2.837 20 30 CFEDMO C[N@H+](Cc1cc(Cl)cc(C#N)c1)C[C@H]1CCOC1 ZINC000929791742 623691011 /nfs/dbraw/zinc/69/10/11/623691011.db2.gz GMXCYOKOSKEBGM-LLVKDONJSA-N 1 1 264.756 2.680 20 30 CFEDMO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)C2CC2)C1 ZINC001015268068 623710318 /nfs/dbraw/zinc/71/03/18/623710318.db2.gz FELTWTMJQDCCMK-IAGOWNOFSA-N 1 1 284.403 2.557 20 30 CFEDMO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)C2CC2)C1 ZINC001015268086 623710326 /nfs/dbraw/zinc/71/03/26/623710326.db2.gz 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OPKDLOGAZLDVKO-WBVHZDCISA-N 1 1 298.434 2.549 20 30 CFEDMO CCOCOc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000827650878 624053580 /nfs/dbraw/zinc/05/35/80/624053580.db2.gz WYFGNBDELYAULR-INIZCTEOSA-N 1 1 274.364 2.795 20 30 CFEDMO CCOCOc1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000827650878 624053584 /nfs/dbraw/zinc/05/35/84/624053584.db2.gz WYFGNBDELYAULR-INIZCTEOSA-N 1 1 274.364 2.795 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2=CCCC2)[C@@H]1C ZINC000993225374 624054679 /nfs/dbraw/zinc/05/46/79/624054679.db2.gz FEDPWBUAOVGDNT-ZFWWWQNUSA-N 1 1 262.397 2.642 20 30 CFEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2coc(C)n2)[C@@H]1C ZINC000993242246 624056101 /nfs/dbraw/zinc/05/61/01/624056101.db2.gz WHTUVRBIRLHYDF-GXTWGEPZSA-N 1 1 291.395 2.532 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)sn2)[C@H]1C ZINC000993262489 624059491 /nfs/dbraw/zinc/05/94/91/624059491.db2.gz UITCQZWYEDBIDT-CHWSQXEVSA-N 1 1 293.436 2.610 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cs2)[C@@H]1C ZINC000993314936 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CC[C@](C)(C#N)C(=O)OC[C@H]1CCCC[N@H+]1C(C)C ZINC000837721538 624119776 /nfs/dbraw/zinc/11/97/76/624119776.db2.gz ITEUXAGDJNYKKE-UKRRQHHQSA-N 1 1 266.385 2.732 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C(C)=C2CCC2)[C@@H]1C ZINC000993353210 624120186 /nfs/dbraw/zinc/12/01/86/624120186.db2.gz XWEFCECPTNBUKU-DZGCQCFKSA-N 1 1 262.397 2.642 20 30 CFEDMO C=C1CCC(C(=O)N[C@H]2CC[N@H+](CCCC)C2)CC1 ZINC001015659880 624137787 /nfs/dbraw/zinc/13/77/87/624137787.db2.gz MRUIEXHPLXROAI-HNNXBMFYSA-N 1 1 264.413 2.723 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(F)c(F)c2)[C@@H]1C ZINC000993445143 624145196 /nfs/dbraw/zinc/14/51/96/624145196.db2.gz JZMBKRFQNDWSFU-NHYWBVRUSA-N 1 1 294.345 2.734 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)c(F)c2)[C@@H]1C ZINC000993576311 624150645 /nfs/dbraw/zinc/15/06/45/624150645.db2.gz UEYIHQASJAGVEU-BBRMVZONSA-N 1 1 290.382 2.903 20 30 CFEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C)sc2C)[C@H]1C ZINC000993551107 624152102 /nfs/dbraw/zinc/15/21/02/624152102.db2.gz ACTPOTNJLMVVKC-DOMZBBRYSA-N 1 1 290.432 2.581 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)sc2C)[C@H]1C ZINC000993551107 624152103 /nfs/dbraw/zinc/15/21/03/624152103.db2.gz ACTPOTNJLMVVKC-DOMZBBRYSA-N 1 1 290.432 2.581 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCc3n[nH]cc3C2)cc1 ZINC000828013695 624153009 /nfs/dbraw/zinc/15/30/09/624153009.db2.gz HQOXGLDDUCWRMH-CYBMUJFWSA-N 1 1 296.374 2.649 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(C3CC3)CCC2)[C@H]1C ZINC000993655935 624156258 /nfs/dbraw/zinc/15/62/58/624156258.db2.gz IPUSLPFLPMHUJH-HIFRSBDPSA-N 1 1 276.424 2.722 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1C ZINC000993691607 624161087 /nfs/dbraw/zinc/16/10/87/624161087.db2.gz HMYPHHPHSRNILD-OCCSQVGLSA-N 1 1 264.413 2.578 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)co2)[C@@H]1C ZINC000993694873 624162292 /nfs/dbraw/zinc/16/22/92/624162292.db2.gz NGNYMHVMYRBFJM-UONOGXRCSA-N 1 1 276.380 2.747 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCCC2)[C@@H]1C 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280.375 2.674 20 30 CFEDMO C#C[C@@H](CCC)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000830334250 624712625 /nfs/dbraw/zinc/71/26/25/624712625.db2.gz DTPRSIGRVJAKTH-GOEBONIOSA-N 1 1 276.424 2.702 20 30 CFEDMO C[NH+]1CCN(N=Cc2ccccc2OC2CCCC2)CC1 ZINC000920355724 624713981 /nfs/dbraw/zinc/71/39/81/624713981.db2.gz FTVMNFMWCPOVAK-UHFFFAOYSA-N 1 1 287.407 2.589 20 30 CFEDMO C=C(Br)C[NH2+][C@H](CCO)c1ccccc1F ZINC000830352044 624718291 /nfs/dbraw/zinc/71/82/91/624718291.db2.gz ZIESOUAAWBLKKP-GFCCVEGCSA-N 1 1 288.160 2.747 20 30 CFEDMO C=C(Br)C[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000830621801 624791987 /nfs/dbraw/zinc/79/19/87/624791987.db2.gz FHCLDMFUQVXWMW-NSHDSACASA-N 1 1 274.202 2.786 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@@](C(=O)NC)(C(F)(F)F)C1 ZINC000830675390 624814059 /nfs/dbraw/zinc/81/40/59/624814059.db2.gz WFQJFCJAHPDHQY-CYBMUJFWSA-N 1 1 294.361 2.957 20 30 CFEDMO C#C[C@@H]1CCCC[C@H]1OC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000851537750 634418214 /nfs/dbraw/zinc/41/82/14/634418214.db2.gz QWKGMEGZGKARTB-CZUORRHYSA-N 1 1 295.342 2.616 20 30 CFEDMO C=C1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000830990848 624948492 /nfs/dbraw/zinc/94/84/92/624948492.db2.gz MFCVYBSGUSJEFI-ZFWWWQNUSA-N 1 1 264.413 2.579 20 30 CFEDMO C#CCCCCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000179829559 624978891 /nfs/dbraw/zinc/97/88/91/624978891.db2.gz RIQATENYHWJPOU-HNNXBMFYSA-N 1 1 278.440 2.807 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000237937499 624989238 /nfs/dbraw/zinc/98/92/38/624989238.db2.gz ONKPUFHQVJJFTD-UHFFFAOYSA-N 1 1 296.326 2.897 20 30 CFEDMO C=C(Br)C[N@@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000832209278 625243004 /nfs/dbraw/zinc/24/30/04/625243004.db2.gz HKRGHJZEJOUOAR-GHMZBOCLSA-N 1 1 274.202 2.784 20 30 CFEDMO C=C(Br)C[N@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000832209278 625243009 /nfs/dbraw/zinc/24/30/09/625243009.db2.gz HKRGHJZEJOUOAR-GHMZBOCLSA-N 1 1 274.202 2.784 20 30 CFEDMO CCCCC(N)=[NH+]OCc1nc([C@H](C)OCC(C)C)no1 ZINC000072920250 625740931 /nfs/dbraw/zinc/74/09/31/625740931.db2.gz TXIKEQIXQBWLBY-NSHDSACASA-N 1 1 298.387 2.782 20 30 CFEDMO C#CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000185909370 625802831 /nfs/dbraw/zinc/80/28/31/625802831.db2.gz ONONMPXKVVSAPK-HNNXBMFYSA-N 1 1 278.440 2.520 20 30 CFEDMO C#Cc1cccc(C[NH2+][C@H](C)c2cc(C)n(C)n2)c1 ZINC000834902045 625915473 /nfs/dbraw/zinc/91/54/73/625915473.db2.gz CZSKMQVSIRSIRA-CYBMUJFWSA-N 1 1 253.349 2.561 20 30 CFEDMO CCCCCNC(=S)N[NH+]=C1CCc2cc(N)ccc21 ZINC000834935522 625926536 /nfs/dbraw/zinc/92/65/36/625926536.db2.gz SEOLFQJJWZLPFA-UHFFFAOYSA-N 1 1 290.436 2.573 20 30 CFEDMO CC[C@@](C)(C=[NH+]n1cnnc1-c1ccccc1)OC ZINC000834935231 625926695 /nfs/dbraw/zinc/92/66/95/625926695.db2.gz XZPLGCHIEGPGCJ-AWEZNQCLSA-N 1 1 258.325 2.594 20 30 CFEDMO Cn1c(N[NH2+]C=C2CC2(F)F)nnc1-c1ccccc1 ZINC000834940025 625928835 /nfs/dbraw/zinc/92/88/35/625928835.db2.gz BCCDERFVWSUEQX-SNVBAGLBSA-N 1 1 277.278 2.535 20 30 CFEDMO C[C@@H](N[NH+]=Cc1ccc2c(c1)CCN2C)C(F)(F)F ZINC000835000770 625950031 /nfs/dbraw/zinc/95/00/31/625950031.db2.gz MHXYSTICXBGOPQ-SECBINFHSA-N 1 1 271.286 2.553 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1ccncn1 ZINC000835003257 625951962 /nfs/dbraw/zinc/95/19/62/625951962.db2.gz VQNOEVPPHHKAER-AWEZNQCLSA-N 1 1 295.390 2.787 20 30 CFEDMO C=CCO[NH+]=C(C)c1ccc(N2CCCC2)cc1O ZINC000835015918 625961622 /nfs/dbraw/zinc/96/16/22/625961622.db2.gz OKWJWHGGAMOWKL-UHFFFAOYSA-N 1 1 260.337 2.919 20 30 CFEDMO Fc1cccc2c1CC[C@H]2NN=C1CC[N@H+]2CCC[C@@H]12 ZINC000835019272 625965165 /nfs/dbraw/zinc/96/51/65/625965165.db2.gz ATEXQVIWDKFMMZ-ZBFHGGJFSA-N 1 1 273.355 2.627 20 30 CFEDMO C[C@@H](CNCc1csc(C#N)c1)[N@H+]1CCC[C@H](C)C1 ZINC000921531033 625978464 /nfs/dbraw/zinc/97/84/64/625978464.db2.gz VYHRDHOJZQTRED-STQMWFEESA-N 1 1 277.437 2.830 20 30 CFEDMO C[C@@H](C[NH2+]Cc1csc(C#N)c1)N1CCC[C@H](C)C1 ZINC000921531033 625978467 /nfs/dbraw/zinc/97/84/67/625978467.db2.gz VYHRDHOJZQTRED-STQMWFEESA-N 1 1 277.437 2.830 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001015987426 625986855 /nfs/dbraw/zinc/98/68/55/625986855.db2.gz IXJHDMBZRDXDQG-UONOGXRCSA-N 1 1 292.448 2.927 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001015990390 625987706 /nfs/dbraw/zinc/98/77/06/625987706.db2.gz JYNJFAVHBSWCAD-ZDUSSCGKSA-N 1 1 276.380 2.612 20 30 CFEDMO C[NH+]1CCN(N=C2c3ccccc3-c3ccccc32)CC1 ZINC000010303339 625987900 /nfs/dbraw/zinc/98/79/00/625987900.db2.gz WQBFJPQHRPSOER-UHFFFAOYSA-N 1 1 277.371 2.667 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001015991717 625989825 /nfs/dbraw/zinc/98/98/25/625989825.db2.gz FYAALHNCWBHTQQ-GFCCVEGCSA-N 1 1 276.405 2.616 20 30 CFEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)s2)C1 ZINC001015991717 625989828 /nfs/dbraw/zinc/98/98/28/625989828.db2.gz FYAALHNCWBHTQQ-GFCCVEGCSA-N 1 1 276.405 2.616 20 30 CFEDMO C[NH+](C)C[C@@H](Cc1ccccc1)NCc1csc(C#N)c1 ZINC000921580207 625990037 /nfs/dbraw/zinc/99/00/37/625990037.db2.gz WCHUWDZVUCWMAA-MRXNPFEDSA-N 1 1 299.443 2.882 20 30 CFEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC23CC3)CC1 ZINC000997772259 626015382 /nfs/dbraw/zinc/01/53/82/626015382.db2.gz JDPAYJMZHYKBET-GXTWGEPZSA-N 1 1 296.842 2.756 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC2)CC1 ZINC000997892198 626017641 /nfs/dbraw/zinc/01/76/41/626017641.db2.gz AFBXNMLZUWAQMI-HNNXBMFYSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cncs2)CC1 ZINC000997940252 626024142 /nfs/dbraw/zinc/02/41/42/626024142.db2.gz MIPPJDVXQRWKEG-ZDUSSCGKSA-N 1 1 293.436 2.646 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccn(C)c2)CC1 ZINC000997971755 626025161 /nfs/dbraw/zinc/02/51/61/626025161.db2.gz QNMFLEPXFMWAEZ-INIZCTEOSA-N 1 1 289.423 2.528 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@H](N(CC)C(=O)c2cocn2)CC1 ZINC000997967432 626025180 /nfs/dbraw/zinc/02/51/80/626025180.db2.gz YURXMXRRRBQSJG-AWEZNQCLSA-N 1 1 291.395 2.567 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)C2=CCCC2)CC1 ZINC000997988378 626026542 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626111183 /nfs/dbraw/zinc/11/11/83/626111183.db2.gz YHPJFIVITCNGLF-UHFFFAOYSA-N 1 1 276.405 2.604 20 30 CFEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cnn(C3CCC3)c2)c1 ZINC000921792828 626123985 /nfs/dbraw/zinc/12/39/85/626123985.db2.gz QVZKRDADGZFLHP-UHFFFAOYSA-N 1 1 284.338 2.909 20 30 CFEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2sc(C)cc2C)CC1 ZINC001000732209 626129373 /nfs/dbraw/zinc/12/93/73/626129373.db2.gz AIZZGMUFRHULEC-UHFFFAOYSA-N 1 1 290.432 2.913 20 30 CFEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2csc(C)c2C)CC1 ZINC001000727930 626129628 /nfs/dbraw/zinc/12/96/28/626129628.db2.gz HNRCRYWSJFADMV-UHFFFAOYSA-N 1 1 290.432 2.913 20 30 CFEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC(F)(F)C2)CC1 ZINC001000758969 626131326 /nfs/dbraw/zinc/13/13/26/626131326.db2.gz KBACBWOHGAEKGR-CQSZACIVSA-N 1 1 298.377 2.746 20 30 CFEDMO C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]2CCC)CC1 ZINC001000865378 626133619 /nfs/dbraw/zinc/13/36/19/626133619.db2.gz BGMCJCIKHFKNJJ-IRXDYDNUSA-N 1 1 288.435 2.584 20 30 CFEDMO C#CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC2(C)C)CC1 ZINC001001052262 626141222 /nfs/dbraw/zinc/14/12/22/626141222.db2.gz RVBUDCQLBZOQBF-MRXNPFEDSA-N 1 1 288.435 2.584 20 30 CFEDMO C=CC[N@H+]1CC[C@@H](NC(=O)c2sc(C(C)C)nc2C)C1 ZINC001016240422 626142740 /nfs/dbraw/zinc/14/27/40/626142740.db2.gz QIJYENMRFGPXCM-GFCCVEGCSA-N 1 1 293.436 2.565 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2sc(C(C)C)nc2C)C1 ZINC001016240422 626142745 /nfs/dbraw/zinc/14/27/45/626142745.db2.gz QIJYENMRFGPXCM-GFCCVEGCSA-N 1 1 293.436 2.565 20 30 CFEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[C@H]2C)CC1 ZINC001001099749 626143697 /nfs/dbraw/zinc/14/36/97/626143697.db2.gz LFMMQKQHCWVKGM-NVXWUHKLSA-N 1 1 288.435 2.584 20 30 CFEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2occc2Cl)CC1 ZINC001001120141 626146059 /nfs/dbraw/zinc/14/60/59/626146059.db2.gz LZOAAGVMCBQDQG-UHFFFAOYSA-N 1 1 294.782 2.871 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)c2ccoc2C)CC1 ZINC001001182385 626149637 /nfs/dbraw/zinc/14/96/37/626149637.db2.gz JHMPAXHRJPWZKM-UHFFFAOYSA-N 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C#C[C@H](C)[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000775179713 627998085 /nfs/dbraw/zinc/99/80/85/627998085.db2.gz PAKCGSWAAOPJHR-VIFPVBQESA-N 1 1 298.180 2.617 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000775180120 627998346 /nfs/dbraw/zinc/99/83/46/627998346.db2.gz VJKFMHOSIJQCQY-GFCCVEGCSA-N 1 1 289.379 2.882 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000775180120 627998347 /nfs/dbraw/zinc/99/83/47/627998347.db2.gz VJKFMHOSIJQCQY-GFCCVEGCSA-N 1 1 289.379 2.882 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000775183407 627999087 /nfs/dbraw/zinc/99/90/87/627999087.db2.gz KZWYEEXOGRDHQG-VIFPVBQESA-N 1 1 252.701 2.702 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000775183407 627999089 /nfs/dbraw/zinc/99/90/89/627999089.db2.gz KZWYEEXOGRDHQG-VIFPVBQESA-N 1 1 252.701 2.702 20 30 CFEDMO C#CCn1ccc(C[N@H+](CC)C[C@H](OC)C2CCCC2)n1 ZINC000851996264 634621087 /nfs/dbraw/zinc/62/10/87/634621087.db2.gz LQRRKXGMKAFSRL-KRWDZBQOSA-N 1 1 289.423 2.543 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](OC)C2CCCC2)n1 ZINC000851996264 634621094 /nfs/dbraw/zinc/62/10/94/634621094.db2.gz LQRRKXGMKAFSRL-KRWDZBQOSA-N 1 1 289.423 2.543 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)[C@H]1CCCO1 ZINC000775340818 628011465 /nfs/dbraw/zinc/01/14/65/628011465.db2.gz IJQPVTXCTXHBGO-HUUCEWRRSA-N 1 1 291.778 2.545 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cnc(CC(C)C)s1)[C@@H]1CCCO1 ZINC000775352596 628014903 /nfs/dbraw/zinc/01/49/03/628014903.db2.gz XWEFROOQYKPZOK-KBPBESRZSA-N 1 1 278.421 2.612 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1F)[C@H]1CCCO1 ZINC000775571398 628039539 /nfs/dbraw/zinc/03/95/39/628039539.db2.gz GQTWDJHWSZMGIC-KNXALSJPSA-N 1 1 277.339 2.666 20 30 CFEDMO C=C(C)CC[N@H+]1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000775615607 628045838 /nfs/dbraw/zinc/04/58/38/628045838.db2.gz QBMDWOGBXRGZIM-UONOGXRCSA-N 1 1 298.427 2.567 20 30 CFEDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000775961570 628088813 /nfs/dbraw/zinc/08/88/13/628088813.db2.gz NDLXTKGGEXSUKM-HNNXBMFYSA-N 1 1 291.439 2.699 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000775984911 628091474 /nfs/dbraw/zinc/09/14/74/628091474.db2.gz IDGKIRDGGOHXCC-ILXRZTDVSA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)cc1 ZINC000775984911 628091478 /nfs/dbraw/zinc/09/14/78/628091478.db2.gz IDGKIRDGGOHXCC-ILXRZTDVSA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN(C)[C@@H](C)[C@@H]2C)cc1 ZINC000775984911 628091480 /nfs/dbraw/zinc/09/14/80/628091480.db2.gz IDGKIRDGGOHXCC-ILXRZTDVSA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1ncccn1 ZINC000776185817 628112753 /nfs/dbraw/zinc/11/27/53/628112753.db2.gz MWIALYJMNWSVIC-CQSZACIVSA-N 1 1 295.390 2.787 20 30 CFEDMO C=CC[NH+]1CCC(N[C@H]2CCc3ccc(Cl)nc32)CC1 ZINC000776264966 628123527 /nfs/dbraw/zinc/12/35/27/628123527.db2.gz KGCUUIMDONMAPN-AWEZNQCLSA-N 1 1 291.826 2.962 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]Cc1cc(OC)cc(C)n1 ZINC000777435884 628225471 /nfs/dbraw/zinc/22/54/71/628225471.db2.gz JLKJLDFCXQIGKB-UHFFFAOYSA-N 1 1 296.370 2.700 20 30 CFEDMO N#Cc1cc2ccccc2nc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000777802714 628253459 /nfs/dbraw/zinc/25/34/59/628253459.db2.gz UDPOCAJAWGIVNS-AWEZNQCLSA-N 1 1 289.342 2.730 20 30 CFEDMO C=CC[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000778932608 628340494 /nfs/dbraw/zinc/34/04/94/628340494.db2.gz HHMVZVNJNJOFHI-GOEBONIOSA-N 1 1 272.392 2.509 20 30 CFEDMO C=CC[C@@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000778932608 628340497 /nfs/dbraw/zinc/34/04/97/628340497.db2.gz HHMVZVNJNJOFHI-GOEBONIOSA-N 1 1 272.392 2.509 20 30 CFEDMO C#CC[N@H+](Cc1ccc(CO)cc1)C1CCCCC1 ZINC000778939184 628340668 /nfs/dbraw/zinc/34/06/68/628340668.db2.gz NYTDUIDJPZIMAO-UHFFFAOYSA-N 1 1 257.377 2.947 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000779148693 628355273 /nfs/dbraw/zinc/35/52/73/628355273.db2.gz JBFMFIJYZHLJTA-HIFRSBDPSA-N 1 1 261.340 2.879 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000779148693 628355276 /nfs/dbraw/zinc/35/52/76/628355276.db2.gz JBFMFIJYZHLJTA-HIFRSBDPSA-N 1 1 261.340 2.879 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+](CC)CCOC ZINC000779154422 628357178 /nfs/dbraw/zinc/35/71/78/628357178.db2.gz VZNYWMDLYNFDCX-UHFFFAOYSA-N 1 1 281.783 2.820 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](CC)CCOC ZINC000779154422 628357180 /nfs/dbraw/zinc/35/71/80/628357180.db2.gz VZNYWMDLYNFDCX-UHFFFAOYSA-N 1 1 281.783 2.820 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)CC(C)(C)O ZINC000779157560 628357348 /nfs/dbraw/zinc/35/73/48/628357348.db2.gz DVKWWYNGAKRFBL-UHFFFAOYSA-N 1 1 281.783 2.555 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)CC(C)(C)O ZINC000779157560 628357350 /nfs/dbraw/zinc/35/73/50/628357350.db2.gz DVKWWYNGAKRFBL-UHFFFAOYSA-N 1 1 281.783 2.555 20 30 CFEDMO CC(N=Nc1cnccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779768998 628401247 /nfs/dbraw/zinc/40/12/47/628401247.db2.gz PJIQEWHPSCARFO-MRXNPFEDSA-N 1 1 295.390 2.787 20 30 CFEDMO COc1ccc(OC(F)F)c(C=NNc2cc[nH+]cc2)c1 ZINC000779807152 628408150 /nfs/dbraw/zinc/40/81/50/628408150.db2.gz OBNMPLJRXMMFCV-UHFFFAOYSA-N 1 1 293.273 2.560 20 30 CFEDMO Cc1ccc(-c2ccc(C=NNC3=[NH+]C[C@@H](C)N3)o2)cc1 ZINC000779805992 628408345 /nfs/dbraw/zinc/40/83/45/628408345.db2.gz XUGOHLRYQHOSCW-GFCCVEGCSA-N 1 1 282.347 2.526 20 30 CFEDMO CCCOc1cc(C=NNc2cc[nH+]cc2)ccc1OC ZINC000779809438 628408702 /nfs/dbraw/zinc/40/87/02/628408702.db2.gz OOBPBWXCPPVOCT-UHFFFAOYSA-N 1 1 285.347 2.747 20 30 CFEDMO Cc1nn(-c2ccccc2)c(C)c1C=NNc1cc[nH+]cc1 ZINC000779809794 628409075 /nfs/dbraw/zinc/40/90/75/628409075.db2.gz QKROCKXKZFRLQP-UHFFFAOYSA-N 1 1 291.358 2.752 20 30 CFEDMO Fc1ccc(C=NNc2cc[nH+]cc2)c(Br)c1 ZINC000779811386 628409771 /nfs/dbraw/zinc/40/97/71/628409771.db2.gz GNPJHEYXPKUFFP-UHFFFAOYSA-N 1 1 294.127 2.851 20 30 CFEDMO CCc1[nH+]c(CN=Nc2ccc(OC)cn2)c2ccccn21 ZINC000780267369 628448330 /nfs/dbraw/zinc/44/83/30/628448330.db2.gz LBMFRTPNIBJJIZ-UHFFFAOYSA-N 1 1 295.346 2.746 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc([C@H](C)OC)n1 ZINC000852102830 634657782 /nfs/dbraw/zinc/65/77/82/634657782.db2.gz QUTYOHZDMOLAHN-GWCFXTLKSA-N 1 1 252.383 2.742 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nnnn1C1CCCCC1 ZINC000852103592 634658982 /nfs/dbraw/zinc/65/89/82/634658982.db2.gz LRFFLQJJLHICSV-DOMZBBRYSA-N 1 1 275.400 2.631 20 30 CFEDMO C[C@H](C#N)Oc1ccccc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000780745258 628492782 /nfs/dbraw/zinc/49/27/82/628492782.db2.gz PBBHASFZADPWJR-MJBXVCDLSA-N 1 1 273.380 2.872 20 30 CFEDMO C#CCCC[NH+]1CCC(NCc2ccccc2)CC1 ZINC000852116264 634662619 /nfs/dbraw/zinc/66/26/19/634662619.db2.gz MAFSEGXNFLSZER-UHFFFAOYSA-N 1 1 256.393 2.654 20 30 CFEDMO CCc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)[nH]n1 ZINC000781423407 628547909 /nfs/dbraw/zinc/54/79/09/628547909.db2.gz PUNIIZDCCIPTHA-JTQLQIEISA-N 1 1 272.327 2.834 20 30 CFEDMO COc1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)cc1Cl ZINC000782232669 628617921 /nfs/dbraw/zinc/61/79/21/628617921.db2.gz STBNYHYIRXDABY-ZDUSSCGKSA-N 1 1 279.771 2.985 20 30 CFEDMO C#CC[N@H+](CCOC1CCC1)Cc1ccc(F)cc1 ZINC000805738099 628667492 /nfs/dbraw/zinc/66/74/92/628667492.db2.gz GYVDDIVWKLJKJY-UHFFFAOYSA-N 1 1 261.340 2.830 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(Cl)nc1 ZINC000783300684 628698800 /nfs/dbraw/zinc/69/88/00/628698800.db2.gz PJGIRBNJTIFQTN-SNVBAGLBSA-N 1 1 272.739 2.852 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCO1 ZINC000783678390 628734016 /nfs/dbraw/zinc/73/40/16/628734016.db2.gz FDLAYKMQIWQJKW-TZMCWYRMSA-N 1 1 294.738 2.519 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1 ZINC000783745506 628740963 /nfs/dbraw/zinc/74/09/63/628740963.db2.gz NKYBBEHROOYTHD-GFCCVEGCSA-N 1 1 299.399 2.992 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCc3ncsc3C2)cc1 ZINC000783745506 628740967 /nfs/dbraw/zinc/74/09/67/628740967.db2.gz NKYBBEHROOYTHD-GFCCVEGCSA-N 1 1 299.399 2.992 20 30 CFEDMO C[NH+]1CCN(N=C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000783773757 628744784 /nfs/dbraw/zinc/74/47/84/628744784.db2.gz OUTCQMRYRAIHJO-UHFFFAOYSA-N 1 1 277.799 2.821 20 30 CFEDMO Clc1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCO2 ZINC000783867764 628751784 /nfs/dbraw/zinc/75/17/84/628751784.db2.gz UTSOUSDKSFJRMZ-UHFFFAOYSA-N 1 1 273.723 2.756 20 30 CFEDMO C=CC[N@@H+](CN1C[C@@H](c2ccccc2F)CC1=O)C1CC1 ZINC000783996262 628760836 /nfs/dbraw/zinc/76/08/36/628760836.db2.gz XUPGRFVOFBIADU-ZDUSSCGKSA-N 1 1 288.366 2.750 20 30 CFEDMO C=CC[N@H+](CN1C[C@@H](c2ccccc2F)CC1=O)C1CC1 ZINC000783996262 628760839 /nfs/dbraw/zinc/76/08/39/628760839.db2.gz XUPGRFVOFBIADU-ZDUSSCGKSA-N 1 1 288.366 2.750 20 30 CFEDMO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC(C)(C)C1 ZINC000784352583 628808741 /nfs/dbraw/zinc/80/87/41/628808741.db2.gz XXMCKMCIAXICKA-CJNGLKHVSA-N 1 1 272.392 2.960 20 30 CFEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CC=CCC1 ZINC000784388895 628813522 /nfs/dbraw/zinc/81/35/22/628813522.db2.gz AUFMAJVMINNJDN-NVXWUHKLSA-N 1 1 270.376 2.880 20 30 CFEDMO Cc1ccccc1[C@H](O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000784451682 628817784 /nfs/dbraw/zinc/81/77/84/628817784.db2.gz WPOUTUDNGQUTEB-HZPDHXFCSA-N 1 1 258.365 2.654 20 30 CFEDMO Cc1ccccc1[C@H](O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000784451682 628817786 /nfs/dbraw/zinc/81/77/86/628817786.db2.gz WPOUTUDNGQUTEB-HZPDHXFCSA-N 1 1 258.365 2.654 20 30 CFEDMO COC(=O)Cc1ccccc1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000784452261 628818407 /nfs/dbraw/zinc/81/84/07/628818407.db2.gz UJIJNKRKMZNPHT-QGZVFWFLSA-N 1 1 286.375 2.528 20 30 CFEDMO COC(=O)Cc1ccccc1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000784452261 628818410 /nfs/dbraw/zinc/81/84/10/628818410.db2.gz UJIJNKRKMZNPHT-QGZVFWFLSA-N 1 1 286.375 2.528 20 30 CFEDMO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000784453535 628818610 /nfs/dbraw/zinc/81/86/10/628818610.db2.gz KABXYWSPQCCTCO-IRXDYDNUSA-N 1 1 272.392 2.963 20 30 CFEDMO Cc1cc(C)cc([C@@H](O)C[N@H+]2CCC[C@@](C)(C#N)C2)c1 ZINC000784453535 628818613 /nfs/dbraw/zinc/81/86/13/628818613.db2.gz KABXYWSPQCCTCO-IRXDYDNUSA-N 1 1 272.392 2.963 20 30 CFEDMO CCCCCCCCC[N@@H+](C)Cc1n[n-]c(=O)o1 ZINC000852189074 634684120 /nfs/dbraw/zinc/68/41/20/634684120.db2.gz VEHYAIDQJOFDGX-UHFFFAOYSA-N 1 1 255.362 2.958 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)CCCC[C@H](C)CC)CC1 ZINC000785366911 628878599 /nfs/dbraw/zinc/87/85/99/628878599.db2.gz LMMXEXAQYGNMHO-MRXNPFEDSA-N 1 1 278.440 2.760 20 30 CFEDMO C#CCOCC[N@H+](C)[C@H](C)CSc1ccccc1 ZINC000852209387 634690445 /nfs/dbraw/zinc/69/04/45/634690445.db2.gz NBLQYRQYBVZFKK-CQSZACIVSA-N 1 1 263.406 2.749 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cnc(-c2ccco2)s1)[C@H]1CCCO1 ZINC000785513992 628890723 /nfs/dbraw/zinc/89/07/23/628890723.db2.gz QMCQNXDUGWHISA-QWHCGFSZSA-N 1 1 288.372 2.674 20 30 CFEDMO CC[C@H](C)[N@@H+](CCO)Cc1cc(Cl)ccc1OCC#N ZINC000805789352 628918990 /nfs/dbraw/zinc/91/89/90/628918990.db2.gz BJJBUCYWGCHLIJ-LBPRGKRZSA-N 1 1 296.798 2.835 20 30 CFEDMO COc1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCS2 ZINC000786039132 628932057 /nfs/dbraw/zinc/93/20/57/628932057.db2.gz ZMKULXUMYJSVEF-UHFFFAOYSA-N 1 1 285.372 2.824 20 30 CFEDMO C=CCC[N@@H+](C)Cn1c(C)c(C)n(CCOC)c1=S ZINC000786100996 628936931 /nfs/dbraw/zinc/93/69/31/628936931.db2.gz HQTCQJDTMJDCIK-UHFFFAOYSA-N 1 1 283.441 2.748 20 30 CFEDMO C=CCC[N@H+](C)Cn1c(C)c(C)n(CCOC)c1=S ZINC000786100996 628936934 /nfs/dbraw/zinc/93/69/34/628936934.db2.gz HQTCQJDTMJDCIK-UHFFFAOYSA-N 1 1 283.441 2.748 20 30 CFEDMO CC(C)(C#N)CC(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000786471428 628959771 /nfs/dbraw/zinc/95/97/71/628959771.db2.gz XNAQNSIXOOWAQL-ZDUSSCGKSA-N 1 1 290.363 2.727 20 30 CFEDMO C#CC[C@@H](NC(=O)N[C@@H]1CC[N@H+](CCC)C1)c1ccccc1 ZINC000852229277 634698221 /nfs/dbraw/zinc/69/82/21/634698221.db2.gz QHCXRBPATBZEDH-IAGOWNOFSA-N 1 1 299.418 2.535 20 30 CFEDMO Cc1c([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)cnn1C(C)C ZINC000786936695 628985593 /nfs/dbraw/zinc/98/55/93/628985593.db2.gz UZDWVAFVRSHFKL-GFCCVEGCSA-N 1 1 283.379 2.890 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805827142 628993838 /nfs/dbraw/zinc/99/38/38/628993838.db2.gz NREFPSMJPUFURX-MRXNPFEDSA-N 1 1 292.423 2.923 20 30 CFEDMO C#CC[C@H](NC(=O)N[C@H]1CC[N@H+](CCC)C1)c1ccccc1 ZINC000852229278 634699146 /nfs/dbraw/zinc/69/91/46/634699146.db2.gz QHCXRBPATBZEDH-IRXDYDNUSA-N 1 1 299.418 2.535 20 30 CFEDMO C#CC[N@@H+](CC#CC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000787405697 629011676 /nfs/dbraw/zinc/01/16/76/629011676.db2.gz HFLZPGVMVHSMMP-QINSGFPZSA-N 1 1 282.343 2.957 20 30 CFEDMO C#CC[N@H+](CC#CC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000787405697 629011679 /nfs/dbraw/zinc/01/16/79/629011679.db2.gz HFLZPGVMVHSMMP-QINSGFPZSA-N 1 1 282.343 2.957 20 30 CFEDMO C#Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000787771669 629034233 /nfs/dbraw/zinc/03/42/33/629034233.db2.gz SKWJUQQRGPSKCH-RHSMWYFYSA-N 1 1 256.393 2.582 20 30 CFEDMO C#Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000787771669 629034235 /nfs/dbraw/zinc/03/42/35/629034235.db2.gz SKWJUQQRGPSKCH-RHSMWYFYSA-N 1 1 256.393 2.582 20 30 CFEDMO C#Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000787771669 629034244 /nfs/dbraw/zinc/03/42/44/629034244.db2.gz SKWJUQQRGPSKCH-RHSMWYFYSA-N 1 1 256.393 2.582 20 30 CFEDMO C#Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000787771669 629034247 /nfs/dbraw/zinc/03/42/47/629034247.db2.gz SKWJUQQRGPSKCH-RHSMWYFYSA-N 1 1 256.393 2.582 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000787999059 629047330 /nfs/dbraw/zinc/04/73/30/629047330.db2.gz LBEPBQHQAPASSN-GFCCVEGCSA-N 1 1 292.810 2.861 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N[C@H](C)c1ccccc1Cl ZINC000787999059 629047328 /nfs/dbraw/zinc/04/73/28/629047328.db2.gz LBEPBQHQAPASSN-GFCCVEGCSA-N 1 1 292.810 2.861 20 30 CFEDMO C#CCC1(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000788446503 629068339 /nfs/dbraw/zinc/06/83/39/629068339.db2.gz BJRXRKJSCIFPGS-CVEARBPZSA-N 1 1 290.451 2.901 20 30 CFEDMO C#CCC1(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC000788512589 629077182 /nfs/dbraw/zinc/07/71/82/629077182.db2.gz 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CC[C@@](C)(O)C[N@@H+](CCO[C@H](C)C#N)Cc1ccccc1 ZINC000801946253 630493660 /nfs/dbraw/zinc/49/36/60/630493660.db2.gz HCQNNBQOKFTWES-NVXWUHKLSA-N 1 1 290.407 2.578 20 30 CFEDMO CSc1ccccc1C[N@@H+](C)CCO[C@@H](C)C#N ZINC000801952366 630495388 /nfs/dbraw/zinc/49/53/88/630495388.db2.gz ULUWGGZHLPSLTO-LBPRGKRZSA-N 1 1 264.394 2.769 20 30 CFEDMO C#CCCC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000801972354 630496520 /nfs/dbraw/zinc/49/65/20/630496520.db2.gz MMLGCDNOBHQJDK-UHFFFAOYSA-N 1 1 280.375 2.645 20 30 CFEDMO C=CCN1CCN(C[N@H+]2CCC[C@H]2Cc2ccccc2)C1=O ZINC000839954946 630507736 /nfs/dbraw/zinc/50/77/36/630507736.db2.gz JMHAGQHLKFAWMU-KRWDZBQOSA-N 1 1 299.418 2.575 20 30 CFEDMO C=CCN1CCN(C[N@@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000839955232 630507797 /nfs/dbraw/zinc/50/77/97/630507797.db2.gz YZAATAMEPXIZDC-CYBMUJFWSA-N 1 1 291.420 2.766 20 30 CFEDMO C=CCN1CCN(C[N@H+]2CCC[C@@H]2c2cccs2)C1=O ZINC000839955232 630507800 /nfs/dbraw/zinc/50/78/00/630507800.db2.gz YZAATAMEPXIZDC-CYBMUJFWSA-N 1 1 291.420 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HNDGAAQVGBESJN-UHFFFAOYSA-N 1 1 274.343 2.938 20 30 CFEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)CN1CC[C@@H](C)C1=O ZINC000839979951 630556606 /nfs/dbraw/zinc/55/66/06/630556606.db2.gz KUTUKNLLYWWVHN-OAHLLOKOSA-N 1 1 299.418 2.842 20 30 CFEDMO C=CCN1CCN(C[N@@H+]2CC[C@H](c3ccccc3C)C2)C1=O ZINC000839983563 630565580 /nfs/dbraw/zinc/56/55/80/630565580.db2.gz IUAHWZJTMHFTAE-INIZCTEOSA-N 1 1 299.418 2.665 20 30 CFEDMO C#CCC[N@@H+](CCOC)CCOC1CCCCCC1 ZINC000852751476 634824924 /nfs/dbraw/zinc/82/49/24/634824924.db2.gz DWYLHUCKMTYBSS-UHFFFAOYSA-N 1 1 267.413 2.698 20 30 CFEDMO C#CCC[N@H+](CCOC)CCc1ccccc1Cl ZINC000852751733 634825448 /nfs/dbraw/zinc/82/54/48/634825448.db2.gz LEMIPRPMAASRFE-UHFFFAOYSA-N 1 1 265.784 2.854 20 30 CFEDMO C#CCC[N@@H+](CCOC)Cc1ncc(-c2cccs2)o1 ZINC000852751747 634825767 /nfs/dbraw/zinc/82/57/67/634825767.db2.gz LTLXFAUBPHTOID-UHFFFAOYSA-N 1 1 290.388 2.875 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1ncc(-c2cccs2)o1 ZINC000852751747 634825773 /nfs/dbraw/zinc/82/57/73/634825773.db2.gz LTLXFAUBPHTOID-UHFFFAOYSA-N 1 1 290.388 2.875 20 30 CFEDMO C=C(C)CCOC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000803504721 630623666 /nfs/dbraw/zinc/62/36/66/630623666.db2.gz OGPIXOMDBSKRIF-CQSZACIVSA-N 1 1 251.370 2.903 20 30 CFEDMO C=CCCCCC[N@@H+](C)CN1C(=O)CC2(CCC2)C1=O ZINC000840008871 630629693 /nfs/dbraw/zinc/62/96/93/630629693.db2.gz XFNIPKDJYPTZHC-UHFFFAOYSA-N 1 1 278.396 2.551 20 30 CFEDMO C=CCCCCC[N@H+](C)CN1C(=O)CC2(CCC2)C1=O ZINC000840008871 630629696 /nfs/dbraw/zinc/62/96/96/630629696.db2.gz XFNIPKDJYPTZHC-UHFFFAOYSA-N 1 1 278.396 2.551 20 30 CFEDMO C[C@H]([NH2+]CCC#N)[C@@H](O)c1c(Cl)cccc1Cl ZINC000843103689 630632737 /nfs/dbraw/zinc/63/27/37/630632737.db2.gz NPVFACJRNGENDA-QPUJVOFHSA-N 1 1 273.163 2.919 20 30 CFEDMO C[C@@H]([NH2+]CCC#N)[C@@H](O)c1c(Cl)cccc1Cl ZINC000843103679 630632794 /nfs/dbraw/zinc/63/27/94/630632794.db2.gz NPVFACJRNGENDA-PRHODGIISA-N 1 1 273.163 2.919 20 30 CFEDMO CCCCCCCC(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000804378833 630677188 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C[N@@H+](CCCCNC(=O)/C=C\c1ccccc1C#N)C1CC1 ZINC000837224853 630981502 /nfs/dbraw/zinc/98/15/02/630981502.db2.gz GQJJEKIAQGISPO-FLIBITNWSA-N 1 1 297.402 2.562 20 30 CFEDMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)C#CC(C)(C)C ZINC000837367156 631015140 /nfs/dbraw/zinc/01/51/40/631015140.db2.gz GQMSHEAVTPHTQP-UHFFFAOYSA-N 1 1 295.386 2.846 20 30 CFEDMO CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C#CC2CC2)c1 ZINC000837409331 631022905 /nfs/dbraw/zinc/02/29/05/631022905.db2.gz YJUAVLHLMHCUGU-UHFFFAOYSA-N 1 1 284.403 2.556 20 30 CFEDMO C[C@@H]1CCN(C(=O)C#CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000837446306 631032416 /nfs/dbraw/zinc/03/24/16/631032416.db2.gz MSFTUUACJSROPA-MRXNPFEDSA-N 1 1 296.414 2.523 20 30 CFEDMO CC(C)(C)C#CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000837489707 631045714 /nfs/dbraw/zinc/04/57/14/631045714.db2.gz RRYJAXLHGSJXFH-GOEBONIOSA-N 1 1 288.435 2.511 20 30 CFEDMO CC[C@H]1CN(C(=O)C#CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000837535220 631058201 /nfs/dbraw/zinc/05/82/01/631058201.db2.gz ZCPOTAHPVIFSQU-SFHVURJKSA-N 1 1 296.414 2.523 20 30 CFEDMO CC[C@H]1CN(C(=O)C#CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000837535220 631058207 /nfs/dbraw/zinc/05/82/07/631058207.db2.gz ZCPOTAHPVIFSQU-SFHVURJKSA-N 1 1 296.414 2.523 20 30 CFEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C#CC(C)(C)C ZINC000837644652 631095984 /nfs/dbraw/zinc/09/59/84/631095984.db2.gz BASHVLOLLJYVGA-UHFFFAOYSA-N 1 1 290.407 2.609 20 30 CFEDMO C[N@@H+](Cc1ccccc1)C1(CNC(=O)C#CC2CC2)CCC1 ZINC000837682819 631107130 /nfs/dbraw/zinc/10/71/30/631107130.db2.gz VZJQMGADEDILGN-UHFFFAOYSA-N 1 1 296.414 2.571 20 30 CFEDMO CCOc1ccc(O)c(/C=N\C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000840710635 631175954 /nfs/dbraw/zinc/17/59/54/631175954.db2.gz TYHDPBAPWGGIIW-RRJQLZPISA-N 1 1 288.391 2.835 20 30 CFEDMO C#Cc1ccc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)cc1 ZINC000809541687 631230336 /nfs/dbraw/zinc/23/03/36/631230336.db2.gz NNKUUAAQJRGHCP-QGZVFWFLSA-N 1 1 293.366 2.940 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(CC)CC)cc1 ZINC000809552565 631233844 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ZINC000809656469 631256642 /nfs/dbraw/zinc/25/66/42/631256642.db2.gz WQQWRPMBKZJAND-QWRGUYRKSA-N 1 1 252.383 2.737 20 30 CFEDMO C#Cc1ccc(C[N@@H+]([C@@H](CC)C(=O)OCC)C2CC2)cc1 ZINC000809652964 631257227 /nfs/dbraw/zinc/25/72/27/631257227.db2.gz NRUQJKKHWXFBOL-KRWDZBQOSA-N 1 1 285.387 2.974 20 30 CFEDMO C#Cc1ccc(C[N@H+]([C@@H](CC)C(=O)OCC)C2CC2)cc1 ZINC000809652964 631257229 /nfs/dbraw/zinc/25/72/29/631257229.db2.gz NRUQJKKHWXFBOL-KRWDZBQOSA-N 1 1 285.387 2.974 20 30 CFEDMO C#C[C@H](C)[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000809682827 631260614 /nfs/dbraw/zinc/26/06/14/631260614.db2.gz DZBZCRMBFNHGRJ-QMMMGPOBSA-N 1 1 261.218 2.836 20 30 CFEDMO C#C[C@H](C)[NH2+]Cc1c(C)nn(CCCC)c1Cl ZINC000809684103 631261415 /nfs/dbraw/zinc/26/14/15/631261415.db2.gz NRRHQYIBEZIUEP-JTQLQIEISA-N 1 1 253.777 2.756 20 30 CFEDMO C#C[C@H](C)[NH2+]Cc1c(Cl)nc2cc(Cl)ccn21 ZINC000809683687 631261930 /nfs/dbraw/zinc/26/19/30/631261930.db2.gz KKKDKQZNZNGARO-QMMMGPOBSA-N 1 1 268.147 2.752 20 30 CFEDMO C#CCCOc1ccc(CN2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000809697541 631266975 /nfs/dbraw/zinc/26/69/75/631266975.db2.gz ITZBRPSEEKJNJS-INIZCTEOSA-N 1 1 286.419 2.615 20 30 CFEDMO CCOc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OC(=O)CC ZINC000840938251 631271023 /nfs/dbraw/zinc/27/10/23/631271023.db2.gz AENWESRVYZYJTA-LBPRGKRZSA-N 1 1 290.363 2.650 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1c(O)cc(C)cc1Cl ZINC000840941777 631274192 /nfs/dbraw/zinc/27/41/92/631274192.db2.gz LMWUOFPTFKILQX-UHFFFAOYSA-N 1 1 269.772 2.988 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+](CCCC)CCCO ZINC000809751673 631280719 /nfs/dbraw/zinc/28/07/19/631280719.db2.gz HVWZFCRSBCGKHO-UHFFFAOYSA-N 1 1 275.392 2.683 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCCn2ccnc2)cc1 ZINC000809753524 631281609 /nfs/dbraw/zinc/28/16/09/631281609.db2.gz VIXYECLBSVMABX-OAHLLOKOSA-N 1 1 298.390 2.696 20 30 CFEDMO C#C[C@H]([NH2+]Cc1c(Cl)nc(Cl)n1C)C(C)(C)C ZINC000809782598 631289510 /nfs/dbraw/zinc/28/95/10/631289510.db2.gz ACXBXMHNGSKOAZ-VIFPVBQESA-N 1 1 274.195 2.864 20 30 CFEDMO CC(C)(O)c1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000810152970 631335057 /nfs/dbraw/zinc/33/50/57/631335057.db2.gz IZQJZGYBSQGEMO-UHFFFAOYSA-N 1 1 287.388 2.532 20 30 CFEDMO C#C[C@@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000841438963 631403641 /nfs/dbraw/zinc/40/36/41/631403641.db2.gz POOFGOGWEIOQHN-QGZVFWFLSA-N 1 1 298.430 2.599 20 30 CFEDMO C#CCCCCCOC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810660642 631420605 /nfs/dbraw/zinc/42/06/05/631420605.db2.gz MKIGGNFZMPFENA-MRXNPFEDSA-N 1 1 283.387 2.936 20 30 CFEDMO Cc1cc(N(C)C)ccc1C=[NH+]N[C@H](C)C(F)(F)F ZINC000841641833 631441548 /nfs/dbraw/zinc/44/15/48/631441548.db2.gz XDWFSHKZUSIHBX-SNVBAGLBSA-N 1 1 273.302 2.935 20 30 CFEDMO Clc1cccc([C@H]2CCCC(N=NC3=[NH+]CCN3)C2)c1 ZINC000841659314 631446381 /nfs/dbraw/zinc/44/63/81/631446381.db2.gz JHJQDEHTYUDSFP-LBPRGKRZSA-N 1 1 290.798 2.902 20 30 CFEDMO C[N@@H+](Cn1cccc(C#N)c1=O)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000841688751 631451051 /nfs/dbraw/zinc/45/10/51/631451051.db2.gz GRSJDBCONUYXNN-GJZGRUSLSA-N 1 1 287.407 2.824 20 30 CFEDMO C=C(C)[C@H](CC(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1)OCC ZINC000810838560 631452902 /nfs/dbraw/zinc/45/29/02/631452902.db2.gz QOHJDCYDKNSMTD-KKUMJFAQSA-N 1 1 281.396 2.528 20 30 CFEDMO N#Cc1ccccc1/C=C/C(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810839347 631453421 /nfs/dbraw/zinc/45/34/21/631453421.db2.gz AIFHWCRAUPUIKW-NXVGNOFTSA-N 1 1 296.370 2.741 20 30 CFEDMO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841748111 631464089 /nfs/dbraw/zinc/46/40/89/631464089.db2.gz GWQZUSIFSGHLID-QWRGUYRKSA-N 1 1 269.772 2.881 20 30 CFEDMO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(Cl)cc1O ZINC000841764848 631468925 /nfs/dbraw/zinc/46/89/25/631468925.db2.gz SDOWVCXGPZRZCW-LLVKDONJSA-N 1 1 293.798 2.684 20 30 CFEDMO C#CCOc1ccc(C[N@H+](C)CCCCOC)cc1 ZINC000841894802 631490502 /nfs/dbraw/zinc/49/05/02/631490502.db2.gz VRMXUBFBVAFARG-UHFFFAOYSA-N 1 1 261.365 2.557 20 30 CFEDMO C#CCC1(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CCCCC1 ZINC000811600005 631585332 /nfs/dbraw/zinc/58/53/32/631585332.db2.gz DUVHHNVXUWXOJY-HNNXBMFYSA-N 1 1 278.440 2.805 20 30 CFEDMO C=CC[N@H+](CN1C[C@H](C2CCCC2)CC1=O)C1CC1 ZINC000842600343 631589186 /nfs/dbraw/zinc/58/91/86/631589186.db2.gz JAALBJBMXWHTDM-CQSZACIVSA-N 1 1 262.397 2.633 20 30 CFEDMO C=CC[N@@H+](CN1C[C@H](C2CCCC2)CC1=O)C1CC1 ZINC000842600343 631589189 /nfs/dbraw/zinc/58/91/89/631589189.db2.gz JAALBJBMXWHTDM-CQSZACIVSA-N 1 1 262.397 2.633 20 30 CFEDMO CN(C)c1ncc(C=[NH+]Nc2cccc3c2CCCC3)n1C ZINC000811639278 631589528 /nfs/dbraw/zinc/58/95/28/631589528.db2.gz UKCHIESMAYRECN-UHFFFAOYSA-N 1 1 297.406 2.811 20 30 CFEDMO CCOCCON=C1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000811648081 631592708 /nfs/dbraw/zinc/59/27/08/631592708.db2.gz DMUFNWXDQWRUMV-CQSZACIVSA-N 1 1 276.380 2.690 20 30 CFEDMO CN(C)c1ccc(C=[NH+]OC/C=C\Cl)cc1F ZINC000811668504 631603485 /nfs/dbraw/zinc/60/34/85/631603485.db2.gz HCHWQTUDJHRLIP-QKDPKPEMSA-N 1 1 256.708 2.995 20 30 CFEDMO Cl/C=C\CO[NH+]=Cc1ccccc1N1CCOCC1 ZINC000811671362 631604690 /nfs/dbraw/zinc/60/46/90/631604690.db2.gz DEHOIZIIRBYFCP-DSWLTXPOSA-N 1 1 280.755 2.626 20 30 CFEDMO C#Cc1ccccc1CC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000811900764 631638608 /nfs/dbraw/zinc/63/86/08/631638608.db2.gz FENNZPCOOGCIDQ-MAUKXSAKSA-N 1 1 298.430 2.542 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1N=NC12CC(C1)C2 ZINC000842546952 631662195 /nfs/dbraw/zinc/66/21/95/631662195.db2.gz ZFURSELRPIQEPJ-KTAKPFMOSA-N 1 1 269.392 2.636 20 30 CFEDMO C#CCON=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000812234503 631673734 /nfs/dbraw/zinc/67/37/34/631673734.db2.gz LKFJPIHWSFUZKA-SJORKVTESA-N 1 1 282.387 2.924 20 30 CFEDMO C#C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000812353942 631695583 /nfs/dbraw/zinc/69/55/83/631695583.db2.gz CVLBPXCTHMFQNP-LSDHHAIUSA-N 1 1 290.794 2.615 20 30 CFEDMO C=CC(C)(C)C(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000842831520 631755160 /nfs/dbraw/zinc/75/51/60/631755160.db2.gz UUOJJUHCBOEBMG-CYBMUJFWSA-N 1 1 253.386 2.862 20 30 CFEDMO CC(C)[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)[C@@H]1CCOC1 ZINC000812776659 631770443 /nfs/dbraw/zinc/77/04/43/631770443.db2.gz NEQUUTWFRZGQAV-GDBMZVCRSA-N 1 1 288.391 2.977 20 30 CFEDMO C#CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000155723954 650029986 /nfs/dbraw/zinc/02/99/86/650029986.db2.gz BKUYXRANBASLLP-UHFFFAOYSA-N 1 1 258.321 2.973 20 30 CFEDMO CC(C)C[C@](C)(C#N)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000813061492 631822480 /nfs/dbraw/zinc/82/24/80/631822480.db2.gz JAJVQJMCXUVQFW-HZPDHXFCSA-N 1 1 297.418 2.643 20 30 CFEDMO C#CC[N@H+](C[C@@H](O)COc1ccccc1C)C1CCCC1 ZINC000155800692 650032358 /nfs/dbraw/zinc/03/23/58/650032358.db2.gz DCTKHUYVELUNBQ-QGZVFWFLSA-N 1 1 287.403 2.613 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3C)nn2)C1 ZINC000843421981 631951157 /nfs/dbraw/zinc/95/11/57/631951157.db2.gz AWPZJROVZCEBTH-INIZCTEOSA-N 1 1 294.402 2.811 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000843424676 631953185 /nfs/dbraw/zinc/95/31/85/631953185.db2.gz YKKYUBJXGZQPBU-CQSZACIVSA-N 1 1 280.375 2.707 20 30 CFEDMO N#CC[C@]1(O)CC[N@@H+](Cc2ccccc2N2CCCCC2)C1 ZINC000843424942 631953382 /nfs/dbraw/zinc/95/33/82/631953382.db2.gz AXDYGPXKOLSHJM-SFHVURJKSA-N 1 1 299.418 2.527 20 30 CFEDMO C#CC1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000843426748 631954304 /nfs/dbraw/zinc/95/43/04/631954304.db2.gz JIHMKTPAFUEVFW-UHFFFAOYSA-N 1 1 294.192 3.000 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)cc1 ZINC000843431937 631957183 /nfs/dbraw/zinc/95/71/83/631957183.db2.gz FCSJVBPFODLLOG-CQSZACIVSA-N 1 1 255.361 2.811 20 30 CFEDMO C#C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C ZINC000813776453 631958408 /nfs/dbraw/zinc/95/84/08/631958408.db2.gz FMLVAFKGCQJACP-HZPDHXFCSA-N 1 1 290.451 2.948 20 30 CFEDMO C=CCC(C)(C)C(=O)NCCn1cc[nH+]c1C(C)C ZINC000814107223 632014709 /nfs/dbraw/zinc/01/47/09/632014709.db2.gz ZEGRUBRVAXZHEV-UHFFFAOYSA-N 1 1 263.385 2.725 20 30 CFEDMO CCCCCCCCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000814144859 632018078 /nfs/dbraw/zinc/01/80/78/632018078.db2.gz JLDGZLVJRKELKZ-CABCVRRESA-N 1 1 266.429 2.900 20 30 CFEDMO C#CCC1(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCCCC1 ZINC000814165338 632019775 /nfs/dbraw/zinc/01/97/75/632019775.db2.gz QMYCERUMHATHAF-QGZVFWFLSA-N 1 1 288.435 2.514 20 30 CFEDMO CCc1ccc(C#CC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000814507253 632082103 /nfs/dbraw/zinc/08/21/03/632082103.db2.gz QRBUAEVNHUCPCH-INIZCTEOSA-N 1 1 298.430 2.591 20 30 CFEDMO C#CC[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000844002585 632093070 /nfs/dbraw/zinc/09/30/70/632093070.db2.gz YNANJBOZKWNVJW-QKPAOTATSA-N 1 1 276.424 2.510 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cscc1C#N ZINC000814612444 632098662 /nfs/dbraw/zinc/09/86/62/632098662.db2.gz SOOFQMIWFHDNSH-GFCCVEGCSA-N 1 1 278.377 2.651 20 30 CFEDMO CC#CC(=O)N(C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000844041480 632101590 /nfs/dbraw/zinc/10/15/90/632101590.db2.gz SJSQBVCEKOTKOJ-QGZVFWFLSA-N 1 1 284.403 2.521 20 30 CFEDMO C[NH+]1CCN(N=C2CC[C@H](c3ccccc3)C2)CC1 ZINC000814685213 632108012 /nfs/dbraw/zinc/10/80/12/632108012.db2.gz JRRMIHGYKDJUHZ-HNNXBMFYSA-N 1 1 257.381 2.558 20 30 CFEDMO CC(=[NH+]NC1CCCC1)c1cc(F)c(N)c(F)c1 ZINC000814832908 632134317 /nfs/dbraw/zinc/13/43/17/632134317.db2.gz RJXQEFBQYBTSJN-UHFFFAOYSA-N 1 1 253.296 2.803 20 30 CFEDMO CC(=[NH+]NCc1cccc(C)c1)c1cc([N+](=O)[O-])ccc1N ZINC000814873229 632145141 /nfs/dbraw/zinc/14/51/41/632145141.db2.gz SBVAUGPZAVNCNP-UHFFFAOYSA-N 1 1 298.346 2.999 20 30 CFEDMO CC(=[NH+]N[C@@H](C)CC#N)c1ccc(Cl)c(N)c1 ZINC000814883320 632147504 /nfs/dbraw/zinc/14/75/04/632147504.db2.gz JFHAKUJPOKANKS-QMMMGPOBSA-N 1 1 250.733 2.538 20 30 CFEDMO CC(=[NH+]NCCc1ccccn1)c1ccc(Cl)c(N)c1 ZINC000814925192 632166989 /nfs/dbraw/zinc/16/69/89/632166989.db2.gz VROPTCIBZZPJGH-UHFFFAOYSA-N 1 1 288.782 2.874 20 30 CFEDMO CC(=[NH+]NCCc1ccncc1)c1ccc(Cl)c(N)c1 ZINC000814925291 632167654 /nfs/dbraw/zinc/16/76/54/632167654.db2.gz ZZTYYNNIJZHWNG-UHFFFAOYSA-N 1 1 288.782 2.874 20 30 CFEDMO C[C@@H]1C(N=Nc2cncnc2)CCC[N@H+]1Cc1ccccc1 ZINC000814926803 632167936 /nfs/dbraw/zinc/16/79/36/632167936.db2.gz KNCYYUYUWGIHSR-CQSZACIVSA-N 1 1 295.390 2.929 20 30 CFEDMO C#CC[N@@H+](C)CCCNc1nc(C(C)(C)C)ccc1C#N ZINC000814929457 632169107 /nfs/dbraw/zinc/16/91/07/632169107.db2.gz KRXHXIWKZWZJLN-UHFFFAOYSA-N 1 1 284.407 2.618 20 30 CFEDMO C#CCC[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844356706 632179353 /nfs/dbraw/zinc/17/93/53/632179353.db2.gz JFJZMGJYFSISKO-YOEHRIQHSA-N 1 1 292.423 2.637 20 30 CFEDMO CC(C)CCOCC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844369271 632182321 /nfs/dbraw/zinc/18/23/21/632182321.db2.gz JOANRVYPXLFKMF-KRWDZBQOSA-N 1 1 290.407 2.586 20 30 CFEDMO CO[C@H](CC(C)C)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844370172 632183322 /nfs/dbraw/zinc/18/33/22/632183322.db2.gz GFIAMNJUQHCQAU-IAGOWNOFSA-N 1 1 290.407 2.585 20 30 CFEDMO CC(C)n1nccc1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372190 632183553 /nfs/dbraw/zinc/18/35/53/632183553.db2.gz WNRDHZXLVGSEQS-QGZVFWFLSA-N 1 1 298.390 2.501 20 30 CFEDMO CC(C)n1nccc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844372190 632183554 /nfs/dbraw/zinc/18/35/54/632183554.db2.gz WNRDHZXLVGSEQS-QGZVFWFLSA-N 1 1 298.390 2.501 20 30 CFEDMO CCOc1ccc(N=NC2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000814984615 632186533 /nfs/dbraw/zinc/18/65/33/632186533.db2.gz RJKYMVOEUKTJNH-LBPRGKRZSA-N 1 1 273.380 2.967 20 30 CFEDMO CC[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)[C@H](C)CO1 ZINC000844388981 632190279 /nfs/dbraw/zinc/19/02/79/632190279.db2.gz BXFFKFDDVDUXIK-HIFRSBDPSA-N 1 1 274.364 2.588 20 30 CFEDMO CC[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@H](C)CO1 ZINC000844388981 632190286 /nfs/dbraw/zinc/19/02/86/632190286.db2.gz BXFFKFDDVDUXIK-HIFRSBDPSA-N 1 1 274.364 2.588 20 30 CFEDMO N#CCCOCC[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000815055579 632192766 /nfs/dbraw/zinc/19/27/66/632192766.db2.gz FQAOYEQBEJSWLL-IRXDYDNUSA-N 1 1 283.375 2.688 20 30 CFEDMO N#CCCOCC[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000815055579 632192773 /nfs/dbraw/zinc/19/27/73/632192773.db2.gz FQAOYEQBEJSWLL-IRXDYDNUSA-N 1 1 283.375 2.688 20 30 CFEDMO C#CCNC(=O)CC[N@H+]1CCC[C@@H]1CCC1CCCCC1 ZINC000815062457 632193707 /nfs/dbraw/zinc/19/37/07/632193707.db2.gz UZWZPOYEIOTMBD-QGZVFWFLSA-N 1 1 290.451 2.951 20 30 CFEDMO COc1ccc(N(C)CC[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000844401157 632196070 /nfs/dbraw/zinc/19/60/70/632196070.db2.gz IHZYBMURWQLLRZ-GOEBONIOSA-N 1 1 287.407 2.755 20 30 CFEDMO C=CCOCC[N@@H+]1CC[C@]2(C)[C@H](C1)C2(Cl)Cl ZINC000815113798 632203618 /nfs/dbraw/zinc/20/36/18/632203618.db2.gz LHHBJSOCTWYITH-WDEREUQCSA-N 1 1 264.196 2.705 20 30 CFEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1oc2c(cccc2C)c1C ZINC000844421877 632204096 /nfs/dbraw/zinc/20/40/96/632204096.db2.gz XRRBRPJSSHRZSO-CQSZACIVSA-N 1 1 298.386 2.619 20 30 CFEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1oc2c(cccc2C)c1C ZINC000844421877 632204101 /nfs/dbraw/zinc/20/41/01/632204101.db2.gz XRRBRPJSSHRZSO-CQSZACIVSA-N 1 1 298.386 2.619 20 30 CFEDMO C[C@H]([NH2+]Cc1cnn(C)c1Cl)c1cccc(C#N)c1 ZINC000815127909 632208666 /nfs/dbraw/zinc/20/86/66/632208666.db2.gz JBCDKQMNKONPCH-JTQLQIEISA-N 1 1 274.755 2.796 20 30 CFEDMO C=C(Br)C[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000815231739 632235277 /nfs/dbraw/zinc/23/52/77/632235277.db2.gz JADPHJKUSHBIEE-LBPRGKRZSA-N 1 1 276.218 2.626 20 30 CFEDMO C=C(Br)C[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000815231739 632235281 /nfs/dbraw/zinc/23/52/81/632235281.db2.gz JADPHJKUSHBIEE-LBPRGKRZSA-N 1 1 276.218 2.626 20 30 CFEDMO COc1cc2c(cc1Cl)C[N@H+](CCO[C@@H](C)C#N)CC2 ZINC000815263482 632242371 /nfs/dbraw/zinc/24/23/71/632242371.db2.gz QJJBIGNYANBKCM-NSHDSACASA-N 1 1 294.782 2.635 20 30 CFEDMO COc1cc2c(cc1Cl)C[N@@H+](CCO[C@@H](C)C#N)CC2 ZINC000815263482 632242375 /nfs/dbraw/zinc/24/23/75/632242375.db2.gz QJJBIGNYANBKCM-NSHDSACASA-N 1 1 294.782 2.635 20 30 CFEDMO C=C(C)COC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815446498 632276773 /nfs/dbraw/zinc/27/67/73/632276773.db2.gz XLUSQHRVXCSSEF-AWEZNQCLSA-N 1 1 251.370 2.903 20 30 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CC[C@H](CC#N)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000846989365 632870989 /nfs/dbraw/zinc/87/09/89/632870989.db2.gz ZQBLICIJVMLMQC-ZWNOBZJWSA-N 1 1 270.735 2.794 20 30 CFEDMO CC[C@H](CC#N)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000846993517 632872673 /nfs/dbraw/zinc/87/26/73/632872673.db2.gz NXJKQFGNYPYXRG-CHWSQXEVSA-N 1 1 252.745 2.655 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@H](CCC=C)c1ccccc1 ZINC000818589029 632873650 /nfs/dbraw/zinc/87/36/50/632873650.db2.gz MYTQTSCUYXIFPI-SFHVURJKSA-N 1 1 298.430 2.808 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)[C@H](CC)C1CCC(C)CC1 ZINC000818593247 632875111 /nfs/dbraw/zinc/87/51/11/632875111.db2.gz RIFSMDVQFZLKLI-OFLPRAFFSA-N 1 1 292.467 2.910 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)CC1CCC(C)(C)CC1 ZINC000818602921 632877304 /nfs/dbraw/zinc/87/73/04/632877304.db2.gz JOUBDSOYAALXMX-UHFFFAOYSA-N 1 1 278.440 2.664 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cnc(OC)c(Cl)c2)C1 ZINC000847021064 632885887 /nfs/dbraw/zinc/88/58/87/632885887.db2.gz ILSSVVMRUDSTBC-LLVKDONJSA-N 1 1 264.756 2.589 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc(OC)c(Cl)c2)C1 ZINC000847021064 632885889 /nfs/dbraw/zinc/88/58/89/632885889.db2.gz ILSSVVMRUDSTBC-LLVKDONJSA-N 1 1 264.756 2.589 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000847022152 632886611 /nfs/dbraw/zinc/88/66/11/632886611.db2.gz FTKXYVIFYTZJKJ-CQSZACIVSA-N 1 1 288.347 2.709 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000847022581 632886693 /nfs/dbraw/zinc/88/66/93/632886693.db2.gz VCOJWLJTQQEVKU-HNNXBMFYSA-N 1 1 265.360 2.718 20 30 CFEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)C1 ZINC000847021892 632887707 /nfs/dbraw/zinc/88/77/07/632887707.db2.gz CTFJDORSYDJBOM-BRWVUGGUSA-N 1 1 298.430 2.906 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000847023354 632888376 /nfs/dbraw/zinc/88/83/76/632888376.db2.gz LFBIXWKPIHPMBH-ZDUSSCGKSA-N 1 1 258.321 2.748 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000847023134 632888571 /nfs/dbraw/zinc/88/85/71/632888571.db2.gz LFBIXWKPIHPMBH-CYBMUJFWSA-N 1 1 258.321 2.748 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000847023779 632889078 /nfs/dbraw/zinc/88/90/78/632889078.db2.gz FPAVGCURVXKFKD-HNNXBMFYSA-N 1 1 268.360 2.672 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N[C@@H](CCC)c2ccccc2)C1 ZINC000847024898 632890505 /nfs/dbraw/zinc/89/05/05/632890505.db2.gz AGDZPDCGLDABEY-AEFFLSMTSA-N 1 1 298.430 2.989 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000847029285 632894611 /nfs/dbraw/zinc/89/46/11/632894611.db2.gz MIXFHQNCQBIZPA-INIZCTEOSA-N 1 1 296.414 2.768 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(=O)oc3c(C)c(O)ccc23)C1 ZINC000847028995 632895201 /nfs/dbraw/zinc/89/52/01/632895201.db2.gz JRYKMJSXCHVQAU-CYBMUJFWSA-N 1 1 297.354 2.652 20 30 CFEDMO C#C[C@@H](CCC)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000847081728 632914335 /nfs/dbraw/zinc/91/43/35/632914335.db2.gz SDUQLGZONXWMDT-GJZGRUSLSA-N 1 1 292.810 2.861 20 30 CFEDMO C#C[C@H](CCC)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000847081732 632914468 /nfs/dbraw/zinc/91/44/68/632914468.db2.gz SDUQLGZONXWMDT-HUUCEWRRSA-N 1 1 292.810 2.861 20 30 CFEDMO CC(C)(C#N)C[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000819219799 633024036 /nfs/dbraw/zinc/02/40/36/633024036.db2.gz UWCSVHYELGCNKX-LBPRGKRZSA-N 1 1 270.735 2.652 20 30 CFEDMO C=C(C)C(C)(C)C(=O)NCCn1cc[nH+]c1C(C)C ZINC000819276926 633048946 /nfs/dbraw/zinc/04/89/46/633048946.db2.gz VUQQIIILOYAZKF-UHFFFAOYSA-N 1 1 263.385 2.725 20 30 CFEDMO C=CCOc1ccccc1C(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC000847822906 633092062 /nfs/dbraw/zinc/09/20/62/633092062.db2.gz AROGMOYTZWQJJQ-AWEZNQCLSA-N 1 1 289.375 2.750 20 30 CFEDMO C#Cc1cccc(NC[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000819405921 633150130 /nfs/dbraw/zinc/15/01/30/633150130.db2.gz YLWAQTLNODYUEV-LJQANCHMSA-N 1 1 294.398 2.573 20 30 CFEDMO C=CCC(F)(F)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000848300243 633236645 /nfs/dbraw/zinc/23/66/45/633236645.db2.gz CHBFDNSNCOPMMI-UHFFFAOYSA-N 1 1 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292.423 2.779 20 30 CFEDMO C#CC[N@H+](Cc1cncc(OCC)c1)C1CCCC1 ZINC000857024399 635909278 /nfs/dbraw/zinc/90/92/78/635909278.db2.gz GSJYRROIEZPEHM-UHFFFAOYSA-N 1 1 258.365 2.858 20 30 CFEDMO C#CC[NH+]1CCC(c2nc([C@H](C)c3ccco3)no2)CC1 ZINC000857085881 635927127 /nfs/dbraw/zinc/92/71/27/635927127.db2.gz ASHJRFITMGEKQK-GFCCVEGCSA-N 1 1 285.347 2.627 20 30 CFEDMO C[N@H+]1CCC[C@@H](c2cccc(C(=O)NCCCC#N)c2)C1 ZINC000857179000 635941671 /nfs/dbraw/zinc/94/16/71/635941671.db2.gz JFXINLQXZXHDSA-MRXNPFEDSA-N 1 1 285.391 2.529 20 30 CFEDMO CC#CCN(C)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857272498 635959740 /nfs/dbraw/zinc/95/97/40/635959740.db2.gz GVNRJGKYKVRAAO-QGZVFWFLSA-N 1 1 284.403 2.591 20 30 CFEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857866741 636039932 /nfs/dbraw/zinc/03/99/32/636039932.db2.gz XSVVEHBHZXKJDL-JKSUJKDBSA-N 1 1 278.359 2.936 20 30 CFEDMO C#Cc1cccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1 ZINC000857869568 636041011 /nfs/dbraw/zinc/04/10/11/636041011.db2.gz 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N#CCc1cccc2c1CC[N@H+](CCCCCCO)C2 ZINC000860106307 636788014 /nfs/dbraw/zinc/78/80/14/636788014.db2.gz DUFCSAXEXIVFNR-UHFFFAOYSA-N 1 1 272.392 2.663 20 30 CFEDMO N#CCc1cccc2c1CC[N@H+](C[C@@H](O)c1ccccc1)C2 ZINC000860105543 636788280 /nfs/dbraw/zinc/78/82/80/636788280.db2.gz VNLADEPROLJHJD-LJQANCHMSA-N 1 1 292.382 2.844 20 30 CFEDMO COc1ccc([C@H]2CC[N@@H+](CCO[C@@H](C)C#N)C2)cc1F ZINC000860104231 636788695 /nfs/dbraw/zinc/78/86/95/636788695.db2.gz KTVWZIXPWMVWFG-JSGCOSHPSA-N 1 1 292.354 2.552 20 30 CFEDMO C[Si](C)(C)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000860107053 636788894 /nfs/dbraw/zinc/78/88/94/636788894.db2.gz YFQIQVAOAMAVFA-UHFFFAOYSA-N 1 1 258.441 2.988 20 30 CFEDMO CC[N@@H+](CCCOc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000048954048 650284018 /nfs/dbraw/zinc/28/40/18/650284018.db2.gz RMKXKHGRQIJJQN-KRWDZBQOSA-N 1 1 288.391 2.828 20 30 CFEDMO CCC(C#N)(CC)C(=O)OCC[N@@H+](C)Cc1ccccc1 ZINC000860199887 636824860 /nfs/dbraw/zinc/82/48/60/636824860.db2.gz KHPCLXABSGXCLF-UHFFFAOYSA-N 1 1 288.391 2.992 20 30 CFEDMO C#CCOc1cccc([C@@H](C)OC(=O)Cn2c[nH+]cc2C)c1 ZINC000860534255 636906384 /nfs/dbraw/zinc/90/63/84/636906384.db2.gz VKRIROIFBWFHAR-CQSZACIVSA-N 1 1 298.342 2.508 20 30 CFEDMO CCCC(N)=[NH+]OCc1ccccc1OC(F)F ZINC000117868775 637028587 /nfs/dbraw/zinc/02/85/87/637028587.db2.gz SSYUQJJPTQLREK-UHFFFAOYSA-N 1 1 258.268 2.877 20 30 CFEDMO C=CC[N@H+](Cc1cccc(C(=O)OCC)n1)C(C)C ZINC000862225113 637291139 /nfs/dbraw/zinc/29/11/39/637291139.db2.gz XMNZXIHQLAWDTQ-UHFFFAOYSA-N 1 1 262.353 2.655 20 30 CFEDMO CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000862243937 637297706 /nfs/dbraw/zinc/29/77/06/637297706.db2.gz TXQIQLCYTUSRKE-BFYDXBDKSA-N 1 1 275.440 2.875 20 30 CFEDMO CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000862243937 637297711 /nfs/dbraw/zinc/29/77/11/637297711.db2.gz TXQIQLCYTUSRKE-BFYDXBDKSA-N 1 1 275.440 2.875 20 30 CFEDMO CCCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000862355563 637330624 /nfs/dbraw/zinc/33/06/24/637330624.db2.gz 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ZINC000862445573 637387884 /nfs/dbraw/zinc/38/78/84/637387884.db2.gz XGYFTNBPGQSAAW-MRXNPFEDSA-N 1 1 279.387 2.777 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000862445677 637388240 /nfs/dbraw/zinc/38/82/40/637388240.db2.gz ZKVJHNYRQSZXDP-OAHLLOKOSA-N 1 1 279.387 2.932 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000862448064 637388887 /nfs/dbraw/zinc/38/88/87/637388887.db2.gz WJBKTOIGESTZKV-GFCCVEGCSA-N 1 1 278.346 2.876 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000862447942 637389746 /nfs/dbraw/zinc/38/97/46/637389746.db2.gz SSCRPASKEYIRGA-HOTGVXAUSA-N 1 1 287.403 2.946 20 30 CFEDMO C#CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000862628467 637454795 /nfs/dbraw/zinc/45/47/95/637454795.db2.gz GPGRNWOYGSUTGR-HNNXBMFYSA-N 1 1 276.424 2.559 20 30 CFEDMO CCC(=[NH+]NCCOCC(F)(F)F)c1ccc(N)cc1 ZINC000863106045 637556709 /nfs/dbraw/zinc/55/67/09/637556709.db2.gz JUTLJEQRRGVTEM-UHFFFAOYSA-N 1 1 289.301 2.551 20 30 CFEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1nc2ccccc2[nH]c1=S ZINC000863128673 637566947 /nfs/dbraw/zinc/56/69/47/637566947.db2.gz OOXSNOMWEFFVSK-VIFPVBQESA-N 1 1 287.392 2.642 20 30 CFEDMO C[C@@H]1CC(N=Nc2cccc(F)c2Cl)C[N@H+]1C ZINC000863158498 637573007 /nfs/dbraw/zinc/57/30/07/637573007.db2.gz DNRCVGMPBKXHRT-MRVPVSSYSA-N 1 1 255.724 2.971 20 30 CFEDMO COC(=O)CCC[C@H]1CCCC(=[NH+]n2cccn2)C1 ZINC000863164074 637576401 /nfs/dbraw/zinc/57/64/01/637576401.db2.gz ZIVLVTSUIPYJKJ-GFCCVEGCSA-N 1 1 263.341 2.621 20 30 CFEDMO CC(=[NH+]n1cccn1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000863164773 637577871 /nfs/dbraw/zinc/57/78/71/637577871.db2.gz UZISEGHNIWQTQQ-LLVKDONJSA-N 1 1 272.308 2.894 20 30 CFEDMO CC(C)(C)OC(=O)N[C@H]1CCCCCC1=[NH+]n1cccn1 ZINC000863164541 637577885 /nfs/dbraw/zinc/57/78/85/637577885.db2.gz MUVXLNKWFILANO-LBPRGKRZSA-N 1 1 292.383 2.945 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](CN2C[C@H](c3ccccc3)OC2=O)C1 ZINC000863268755 637611375 /nfs/dbraw/zinc/61/13/75/637611375.db2.gz ISWLPEUWRRKTFK-NVXWUHKLSA-N 1 1 298.386 2.873 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCNC(=O)/C=C/c1ccccc1C#N ZINC000076280811 650378888 /nfs/dbraw/zinc/37/88/88/650378888.db2.gz ABKRYDMHFJIQCN-FEAKQIBJSA-N 1 1 297.402 2.562 20 30 CFEDMO C=C1CC(C)(C(=O)NCc2cccnc2-n2cc[nH+]c2C)C1 ZINC000864979093 638145616 /nfs/dbraw/zinc/14/56/16/638145616.db2.gz FGZDUPGKGNJBLT-UHFFFAOYSA-N 1 1 296.374 2.548 20 30 CFEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)c2coc(C#N)c2)c1 ZINC000864978714 638146053 /nfs/dbraw/zinc/14/60/53/638146053.db2.gz JQFOEYVWQYSKLL-UHFFFAOYSA-N 1 1 297.358 2.533 20 30 CFEDMO C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CCCCC1 ZINC000865039164 638168729 /nfs/dbraw/zinc/16/87/29/638168729.db2.gz YMUQCLRQXUJHOM-JKSUJKDBSA-N 1 1 276.424 2.511 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](CC(C)(C)O)C2CC2)cc1 ZINC000189946059 650404440 /nfs/dbraw/zinc/40/44/40/650404440.db2.gz YUSAHJPZLFYKFT-CYBMUJFWSA-N 1 1 288.391 2.713 20 30 CFEDMO N#Cc1ccc(CO[NH+]=C(N)C2CCCC2)cc1F ZINC000190034008 650407667 /nfs/dbraw/zinc/40/76/67/650407667.db2.gz LYSITRLEJRQROB-UHFFFAOYSA-N 1 1 261.300 2.676 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[NH2+]Cc1ccoc1 ZINC000865428405 638329139 /nfs/dbraw/zinc/32/91/39/638329139.db2.gz UCQYEUAOWRMQOQ-UHFFFAOYSA-N 1 1 255.321 2.507 20 30 CFEDMO C[N@H+]1CC[C@H](CNc2c(Br)cccc2C#N)C1 ZINC000865505052 638383872 /nfs/dbraw/zinc/38/38/72/638383872.db2.gz AOMROYMVZYKHBD-SNVBAGLBSA-N 1 1 294.196 2.684 20 30 CFEDMO C[C@H]1C[C@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000865559134 638423479 /nfs/dbraw/zinc/42/34/79/638423479.db2.gz XJGOBOFTCVKOSA-GXSJLCMTSA-N 1 1 292.314 2.500 20 30 CFEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC[C@@H](C)O1 ZINC000190455779 650434609 /nfs/dbraw/zinc/43/46/09/650434609.db2.gz IAUISQCNSASYRN-CZUORRHYSA-N 1 1 261.340 2.828 20 30 CFEDMO N#Cc1cncc(NC[C@H]2CC[N@H+]2C2CCCCCC2)n1 ZINC000866193930 638767217 /nfs/dbraw/zinc/76/72/17/638767217.db2.gz SOPQKBYBFBWKLX-OAHLLOKOSA-N 1 1 285.395 2.557 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1cccc(C#N)n1 ZINC000866194804 638767279 /nfs/dbraw/zinc/76/72/79/638767279.db2.gz KFZJMACYMGCLIS-OAHLLOKOSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1cccc(C#N)n1 ZINC000866194804 638767280 /nfs/dbraw/zinc/76/72/80/638767280.db2.gz KFZJMACYMGCLIS-OAHLLOKOSA-N 1 1 264.332 2.552 20 30 CFEDMO Cc1ccc(NC[C@@H]2c3ccccc3C[N@H+]2C)nc1C#N ZINC000866195312 638767695 /nfs/dbraw/zinc/76/76/95/638767695.db2.gz RJTJKYDAMZVTTH-MRXNPFEDSA-N 1 1 278.359 2.860 20 30 CFEDMO Cc1ccc(NC[C@@H]2c3ccccc3C[N@@H+]2C)nc1C#N ZINC000866195312 638767698 /nfs/dbraw/zinc/76/76/98/638767698.db2.gz RJTJKYDAMZVTTH-MRXNPFEDSA-N 1 1 278.359 2.860 20 30 CFEDMO Cc1ccnc(NC[C@H]2c3ccccc3C[N@H+]2C)c1C#N ZINC000866195283 638767846 /nfs/dbraw/zinc/76/78/46/638767846.db2.gz QUYDZWGSKBEOMI-INIZCTEOSA-N 1 1 278.359 2.860 20 30 CFEDMO Cc1ccnc(NC[C@H]2c3ccccc3C[N@@H+]2C)c1C#N ZINC000866195283 638767848 /nfs/dbraw/zinc/76/78/48/638767848.db2.gz QUYDZWGSKBEOMI-INIZCTEOSA-N 1 1 278.359 2.860 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3nc(C(C)(C)C)ccc3C#N)CC[C@H]21 ZINC000866208543 638770965 /nfs/dbraw/zinc/77/09/65/638770965.db2.gz NMFLGOREFSKDHU-HUUCEWRRSA-N 1 1 298.434 2.781 20 30 CFEDMO CCc1cc(N[C@@H]2Cc3ccc(C#N)cc3C2)nc(C)[nH+]1 ZINC000866260813 638782879 /nfs/dbraw/zinc/78/28/79/638782879.db2.gz XMJWHEWZWSWJIB-MRXNPFEDSA-N 1 1 278.359 2.798 20 30 CFEDMO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1cccc(C#N)c1O ZINC000866312244 638795349 /nfs/dbraw/zinc/79/53/49/638795349.db2.gz ZRTLSFNPLQLERU-GFCCVEGCSA-N 1 1 296.374 2.576 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@@H](CCC)c1cc(C)ccn1 ZINC000866364172 638804856 /nfs/dbraw/zinc/80/48/56/638804856.db2.gz PZPHQJCTZVKQDH-INIZCTEOSA-N 1 1 273.424 2.776 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@@H](CCC)c1cc(C)ccn1 ZINC000866364172 638804858 /nfs/dbraw/zinc/80/48/58/638804858.db2.gz PZPHQJCTZVKQDH-INIZCTEOSA-N 1 1 273.424 2.776 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H]2CCCc3c(F)cccc32)nn1 ZINC000866379067 638809420 /nfs/dbraw/zinc/80/94/20/638809420.db2.gz GVLDKUNKLFZJPU-MRXNPFEDSA-N 1 1 286.354 2.770 20 30 CFEDMO C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1[O-] ZINC000866400345 638815278 /nfs/dbraw/zinc/81/52/78/638815278.db2.gz YXRXGUINCIZJRA-KBPBESRZSA-N 1 1 287.407 2.646 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CCSC[C@H](C)C1 ZINC000190845582 650465008 /nfs/dbraw/zinc/46/50/08/650465008.db2.gz SVXAXSPRGJVKPG-CQSZACIVSA-N 1 1 275.417 2.884 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@]2(CC)CO)cc1 ZINC000191012592 650473267 /nfs/dbraw/zinc/47/32/67/650473267.db2.gz ARQCLUSTVZEZID-SFHVURJKSA-N 1 1 287.403 2.826 20 30 CFEDMO CC[C@@]1(C)C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000191153928 650480575 /nfs/dbraw/zinc/48/05/75/650480575.db2.gz XFXPNKWUQJLGNT-YOEHRIQHSA-N 1 1 288.391 2.978 20 30 CFEDMO CC[C@@]1(C)C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000191153928 650480577 /nfs/dbraw/zinc/48/05/77/650480577.db2.gz XFXPNKWUQJLGNT-YOEHRIQHSA-N 1 1 288.391 2.978 20 30 CFEDMO Cc1cc(C)c(COC(=O)CC2(C#N)CC2)c(C)[nH+]1 ZINC000869526650 639278902 /nfs/dbraw/zinc/27/89/02/639278902.db2.gz MMULPDOYOSUVDZ-UHFFFAOYSA-N 1 1 258.321 2.744 20 30 CFEDMO N#Cc1cc(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)co1 ZINC000870007134 639496063 /nfs/dbraw/zinc/49/60/63/639496063.db2.gz JEEJWUNKTLYDMO-HNNXBMFYSA-N 1 1 296.326 2.583 20 30 CFEDMO C#CCCCC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000192144966 650541989 /nfs/dbraw/zinc/54/19/89/650541989.db2.gz AUYCKZVVMPMNPZ-INIZCTEOSA-N 1 1 286.419 2.817 20 30 CFEDMO Cc1[nH]c(C#N)cc1C(=O)O[C@@H](C)C[C@@H]1CCCC[N@H+]1C ZINC000870783719 641064645 /nfs/dbraw/zinc/06/46/45/641064645.db2.gz BHQNFLPLLOIXJY-FZMZJTMJSA-N 1 1 289.379 2.615 20 30 CFEDMO Cc1oc(C#N)cc1C(=O)O[C@H](C)C[C@@H]1CCCC[N@H+]1C ZINC000870784929 641065674 /nfs/dbraw/zinc/06/56/74/641065674.db2.gz LIGJQUKCSXPIKH-YPMHNXCESA-N 1 1 290.363 2.879 20 30 CFEDMO CCc1[nH+]ccn1CC[C@@](C#N)(C(C)=O)c1ccccc1 ZINC000871664171 641388503 /nfs/dbraw/zinc/38/85/03/641388503.db2.gz RLPLJBCJWDTUOE-QGZVFWFLSA-N 1 1 281.359 2.886 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2ccc(C)nc2)no1 ZINC000872174544 641693115 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293.455 2.762 20 30 CFEDMO CC[N@@H+](CCNCc1cccc(F)c1C#N)C(C)C ZINC000873036146 641990965 /nfs/dbraw/zinc/99/09/65/641990965.db2.gz UMYQJGOGWQENED-UHFFFAOYSA-N 1 1 263.360 2.517 20 30 CFEDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCc1ccc(C#N)o1 ZINC000873376945 642165114 /nfs/dbraw/zinc/16/51/14/642165114.db2.gz ZAIRNDOUHHCNGF-UHFFFAOYSA-N 1 1 290.363 2.847 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCc2cccs2)c1 ZINC000195313610 650745953 /nfs/dbraw/zinc/74/59/53/650745953.db2.gz FPTVHVSDNWFUOE-UHFFFAOYSA-N 1 1 298.411 2.842 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCc2cccs2)c1 ZINC000195313610 650745954 /nfs/dbraw/zinc/74/59/54/650745954.db2.gz FPTVHVSDNWFUOE-UHFFFAOYSA-N 1 1 298.411 2.842 20 30 CFEDMO C#Cc1cccc(N(C)C(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000874342665 642371097 /nfs/dbraw/zinc/37/10/97/642371097.db2.gz FPCXJYXBSWUMFG-UHFFFAOYSA-N 1 1 281.359 2.651 20 30 CFEDMO C#Cc1cccc(N(C)C(=O)[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000874342762 642371135 /nfs/dbraw/zinc/37/11/35/642371135.db2.gz 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C[C@@H]1[C@@H](NC(=O)C(C)(C)C)CC[N@H+]1CC#Cc1ccccc1 ZINC001088997455 778972351 /nfs/dbraw/zinc/97/23/51/778972351.db2.gz RNIFXDGBIQHKQD-WBVHZDCISA-N 1 1 298.430 2.663 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C2CCC2)[C@H]1C ZINC001089011146 778974151 /nfs/dbraw/zinc/97/41/51/778974151.db2.gz LRKNAOBDLHLUEH-KDOFPFPSSA-N 1 1 296.414 2.780 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C)c(C)c2)[C@H]1C ZINC001089024244 778976795 /nfs/dbraw/zinc/97/67/95/778976795.db2.gz QOMSPDBCYDXOIA-WBVHZDCISA-N 1 1 286.419 2.611 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2cccc(F)c2)[C@H]1C ZINC001089022808 778977381 /nfs/dbraw/zinc/97/73/81/778977381.db2.gz PESNOSUFZFUCAN-CJNGLKHVSA-N 1 1 290.382 2.523 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccccc2C)[C@H]1C ZINC001089055361 778982898 /nfs/dbraw/zinc/98/28/98/778982898.db2.gz HGXYXYUCTGUEGA-JZXOWHBKSA-N 1 1 298.430 2.701 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)[C@H]1C ZINC001089061397 778983515 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C[C@H]1COCC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238189196 779273851 /nfs/dbraw/zinc/27/38/51/779273851.db2.gz OFFBHQFTMRPBJU-LLVKDONJSA-N 1 1 264.756 2.680 20 30 CFEDMO C[C@H]1COCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238189196 779273856 /nfs/dbraw/zinc/27/38/56/779273856.db2.gz OFFBHQFTMRPBJU-LLVKDONJSA-N 1 1 264.756 2.680 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)ccc1Cl ZINC001238189451 779274291 /nfs/dbraw/zinc/27/42/91/779274291.db2.gz RDWIXHDKQMEIQS-ZIAGYGMSSA-N 1 1 282.746 2.506 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)ccc1Cl ZINC001238189451 779274296 /nfs/dbraw/zinc/27/42/96/779274296.db2.gz RDWIXHDKQMEIQS-ZIAGYGMSSA-N 1 1 282.746 2.506 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCC[C@@]3(CCO3)C2)ccc1Cl ZINC001238191131 779274782 /nfs/dbraw/zinc/27/47/82/779274782.db2.gz ISVWCYYVXPCSAR-OAHLLOKOSA-N 1 1 276.767 2.967 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@@]3(CCO3)C2)ccc1Cl ZINC001238191131 779274787 /nfs/dbraw/zinc/27/47/87/779274787.db2.gz ISVWCYYVXPCSAR-OAHLLOKOSA-N 1 1 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CVHWBSCIFCFKPZ-ZDUSSCGKSA-N 1 1 293.436 2.564 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccoc2CC)C1 ZINC001033816438 780799260 /nfs/dbraw/zinc/79/92/60/780799260.db2.gz KLGUFQKKLUSVGJ-AWEZNQCLSA-N 1 1 290.407 2.955 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)sn2)C1 ZINC001033819510 780800467 /nfs/dbraw/zinc/80/04/67/780800467.db2.gz ZEFZOTVRSUKVLW-CYBMUJFWSA-N 1 1 293.436 2.564 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccncc2C)C1 ZINC001033832377 780803601 /nfs/dbraw/zinc/80/36/01/780803601.db2.gz QJAXKMMPMYFROQ-OAHLLOKOSA-N 1 1 287.407 2.503 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2c(C)oc(C)c2C)C1 ZINC001033890094 780814710 /nfs/dbraw/zinc/81/47/10/780814710.db2.gz KJRZNDGPGHZRJK-OAHLLOKOSA-N 1 1 290.407 2.927 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033926421 780825846 /nfs/dbraw/zinc/82/58/46/780825846.db2.gz JQEZHHIFNNXUEL-INIZCTEOSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc3[nH]ccc3c2)C1 ZINC001033941379 780838397 /nfs/dbraw/zinc/83/83/97/780838397.db2.gz FSJCZLMPEXDJOV-MRXNPFEDSA-N 1 1 297.402 2.890 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2occc2Cl)C1 ZINC001033944111 780838559 /nfs/dbraw/zinc/83/85/59/780838559.db2.gz DKRJDQQAKBNYAE-LLVKDONJSA-N 1 1 282.771 2.655 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2Cc3ccccc32)C1 ZINC001033944840 780838874 /nfs/dbraw/zinc/83/88/74/780838874.db2.gz YUYTVFFITPDBJQ-SJLPKXTDSA-N 1 1 298.430 2.825 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCC(=C)CC2)C1 ZINC001033943720 780838904 /nfs/dbraw/zinc/83/89/04/780838904.db2.gz BJFZDSBKRDPTBI-INIZCTEOSA-N 1 1 276.424 2.842 20 30 CFEDMO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(Cl)cs2)C1 ZINC001033981256 780849184 /nfs/dbraw/zinc/84/91/84/780849184.db2.gz RADRZFAKSFFHTE-GFCCVEGCSA-N 1 1 296.823 2.571 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(Cl)cs2)C1 ZINC001033981256 780849186 /nfs/dbraw/zinc/84/91/86/780849186.db2.gz RADRZFAKSFFHTE-GFCCVEGCSA-N 1 1 296.823 2.571 20 30 CFEDMO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)c(C)s2)C1 ZINC001034040633 780859123 /nfs/dbraw/zinc/85/91/23/780859123.db2.gz YIPRNTPNHWRSIC-CQSZACIVSA-N 1 1 290.432 2.535 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)c(C)s2)C1 ZINC001034040633 780859130 /nfs/dbraw/zinc/85/91/30/780859130.db2.gz YIPRNTPNHWRSIC-CQSZACIVSA-N 1 1 290.432 2.535 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccn2C(C)C)C1 ZINC001034041245 780864355 /nfs/dbraw/zinc/86/43/55/780864355.db2.gz FPWOHLWUMXWPTK-HNNXBMFYSA-N 1 1 289.423 2.791 20 30 CFEDMO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccccc2Cl)C1 ZINC001034024708 780865124 /nfs/dbraw/zinc/86/51/24/780865124.db2.gz HOWHUXCUKHWNEY-ZDUSSCGKSA-N 1 1 290.794 2.510 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccccc2Cl)C1 ZINC001034024708 780865130 /nfs/dbraw/zinc/86/51/30/780865130.db2.gz HOWHUXCUKHWNEY-ZDUSSCGKSA-N 1 1 290.794 2.510 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C2CCC2)C1 ZINC001034079737 780880473 /nfs/dbraw/zinc/88/04/73/780880473.db2.gz NQZZDJNPKOYKEY-ZDUSSCGKSA-N 1 1 270.804 2.510 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C2CCC2)C1 ZINC001034079737 780880478 /nfs/dbraw/zinc/88/04/78/780880478.db2.gz NQZZDJNPKOYKEY-ZDUSSCGKSA-N 1 1 270.804 2.510 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C)C1 ZINC001034088500 780883254 /nfs/dbraw/zinc/88/32/54/780883254.db2.gz YBFGBHUMXJCCML-OAHLLOKOSA-N 1 1 272.392 2.765 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccsc2)C1 ZINC001034090202 780885115 /nfs/dbraw/zinc/88/51/15/780885115.db2.gz HTRREXMHRMLISZ-CYBMUJFWSA-N 1 1 264.394 2.518 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2C)C1 ZINC001034092538 780888356 /nfs/dbraw/zinc/88/83/56/780888356.db2.gz RZZIPLCZLNUBQF-INIZCTEOSA-N 1 1 284.403 2.603 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2scnc2C)C1 ZINC001034119533 780897807 /nfs/dbraw/zinc/89/78/07/780897807.db2.gz ADPSTUFQFWQQCK-CYBMUJFWSA-N 1 1 293.436 2.612 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001034159153 780905247 /nfs/dbraw/zinc/90/52/47/780905247.db2.gz JTDCGDFJJJSMJO-QWHCGFSZSA-N 1 1 284.831 2.756 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001034159153 780905250 /nfs/dbraw/zinc/90/52/50/780905250.db2.gz JTDCGDFJJJSMJO-QWHCGFSZSA-N 1 1 284.831 2.756 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001034168337 780914050 /nfs/dbraw/zinc/91/40/50/780914050.db2.gz TWTSVRQXPMNVPQ-HZPDHXFCSA-N 1 1 289.423 2.596 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2coc(C)c2)C1 ZINC001034185138 780917002 /nfs/dbraw/zinc/91/70/02/780917002.db2.gz TYTJLMNWCZRQCB-OAHLLOKOSA-N 1 1 276.380 2.748 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001034202862 780920209 /nfs/dbraw/zinc/92/02/09/780920209.db2.gz CDNMGAVPSVHSEZ-OAHLLOKOSA-N 1 1 262.397 2.644 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001034222491 780926954 /nfs/dbraw/zinc/92/69/54/780926954.db2.gz FMEBQXYPUSCLDB-IRXDYDNUSA-N 1 1 288.435 2.727 20 30 CFEDMO C=CCn1cccc1C(=O)N[C@H]1CCCC[N@H+](CCC)C1 ZINC001034246934 780929652 /nfs/dbraw/zinc/92/96/52/780929652.db2.gz IELLQGQBTODFJV-HNNXBMFYSA-N 1 1 289.423 2.668 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001034256632 780932446 /nfs/dbraw/zinc/93/24/46/780932446.db2.gz FFCWCTQYKGJGTN-HNNXBMFYSA-N 1 1 276.424 2.723 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)C23CCC(CC2)C3)C1 ZINC001034275274 780936238 /nfs/dbraw/zinc/93/62/38/780936238.db2.gz BRJNGSRYLCJEQB-UPTPFMHGSA-N 1 1 288.435 2.561 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC)o2)C1 ZINC001034273492 780937239 /nfs/dbraw/zinc/93/72/39/780937239.db2.gz SMCCFFHVMXMQKF-CYBMUJFWSA-N 1 1 276.380 2.612 20 30 CFEDMO C#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001034294541 780940375 /nfs/dbraw/zinc/94/03/75/780940375.db2.gz YEMSZVVFAAPYDD-CYBMUJFWSA-N 1 1 290.432 2.528 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC)s2)C1 ZINC001034294541 780940379 /nfs/dbraw/zinc/94/03/79/780940379.db2.gz YEMSZVVFAAPYDD-CYBMUJFWSA-N 1 1 290.432 2.528 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001034298259 780940511 /nfs/dbraw/zinc/94/05/11/780940511.db2.gz VFYUZRFJGYOAOU-KRWDZBQOSA-N 1 1 286.419 2.694 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001034322462 780945556 /nfs/dbraw/zinc/94/55/56/780945556.db2.gz GUYZTGIOCGIXBQ-LUKYLMHMSA-N 1 1 290.451 2.969 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001034328899 780946313 /nfs/dbraw/zinc/94/63/13/780946313.db2.gz CJXZQJBZHHPPBY-HNNXBMFYSA-N 1 1 278.440 2.969 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC001034333209 780947878 /nfs/dbraw/zinc/94/78/78/780947878.db2.gz OVOXZUBMKRELNM-OAHLLOKOSA-N 1 1 276.424 2.561 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034353176 780948453 /nfs/dbraw/zinc/94/84/53/780948453.db2.gz VHQYQMGOLSBCHL-UONOGXRCSA-N 1 1 264.413 2.579 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034353174 780949154 /nfs/dbraw/zinc/94/91/54/780949154.db2.gz VHQYQMGOLSBCHL-KGLIPLIRSA-N 1 1 264.413 2.579 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(OC)cs2)C1 ZINC001034342978 780952429 /nfs/dbraw/zinc/95/24/29/780952429.db2.gz VCJSFFWXDBHAEG-GFCCVEGCSA-N 1 1 294.420 2.527 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001034367744 780955804 /nfs/dbraw/zinc/95/58/04/780955804.db2.gz OBKODIUJRREUCP-SNVBAGLBSA-N 1 1 299.827 2.567 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001034367744 780955800 /nfs/dbraw/zinc/95/58/00/780955800.db2.gz OBKODIUJRREUCP-SNVBAGLBSA-N 1 1 299.827 2.567 20 30 CFEDMO C#CC[N@H+]1CCCC[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001034361589 780957784 /nfs/dbraw/zinc/95/77/84/780957784.db2.gz QORUBKYEQICUHS-AWEZNQCLSA-N 1 1 288.391 2.621 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2occc2C(C)C)C1 ZINC001034361589 780957794 /nfs/dbraw/zinc/95/77/94/780957794.db2.gz QORUBKYEQICUHS-AWEZNQCLSA-N 1 1 288.391 2.621 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)C2CCC(F)CC2)C1 ZINC001034387963 780962182 /nfs/dbraw/zinc/96/21/82/780962182.db2.gz ZPPVOLWJRUNALD-GPANFISMSA-N 1 1 294.414 2.509 20 30 CFEDMO C=Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](CC#CC)C2)cc1 ZINC001034417759 780970987 /nfs/dbraw/zinc/97/09/87/780970987.db2.gz IVSHEYPHXVPYSZ-GOSISDBHSA-N 1 1 296.414 2.937 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC001034452868 780977721 /nfs/dbraw/zinc/97/77/21/780977721.db2.gz FBINKUCYYVMRCE-INIZCTEOSA-N 1 1 287.407 2.550 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2nocc2C)C1 ZINC001034475395 780979620 /nfs/dbraw/zinc/97/96/20/780979620.db2.gz BMCBGZDUQGRUHB-CQSZACIVSA-N 1 1 291.395 2.534 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC001034498895 780984028 /nfs/dbraw/zinc/98/40/28/780984028.db2.gz QCGFTXZNZWMWJC-OAHLLOKOSA-N 1 1 290.794 2.558 20 30 CFEDMO C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[N@H+](CCC)C1 ZINC001034509093 780988271 /nfs/dbraw/zinc/98/82/71/780988271.db2.gz YCXLNOQVXURYFW-GOSISDBHSA-N 1 1 298.430 2.591 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C)cc2)C1 ZINC001034504959 780988461 /nfs/dbraw/zinc/98/84/61/780988461.db2.gz BJUQLHQVUFVEQB-INIZCTEOSA-N 1 1 272.392 2.765 20 30 CFEDMO CO/N=C/c1cc(C2=CCC[N@@H+](C)C2)cc(F)c1F ZINC001241571815 780989550 /nfs/dbraw/zinc/98/95/50/780989550.db2.gz GLFAJUVFJYJYPU-CAOOACKPSA-N 1 1 266.291 2.664 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)c2cccc(C)c2C)C1 ZINC001034517460 780989717 /nfs/dbraw/zinc/98/97/17/780989717.db2.gz YSWJLJVZEXSVIT-KRWDZBQOSA-N 1 1 298.430 2.911 20 30 CFEDMO C#CC[N@H+]1CCCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001034512310 780990023 /nfs/dbraw/zinc/99/00/23/780990023.db2.gz KMHMLZOFGXPSJO-OAHLLOKOSA-N 1 1 296.370 2.650 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC001034512310 780990026 /nfs/dbraw/zinc/99/00/26/780990026.db2.gz KMHMLZOFGXPSJO-OAHLLOKOSA-N 1 1 296.370 2.650 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2scnc2Cl)C1 ZINC001034534264 780990802 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CC[N@@H+](C[C@@H](COC)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000595296283 349595112 /nfs/dbraw/zinc/59/51/12/349595112.db2.gz ZHJWBFRBWMZCEP-BBRMVZONSA-N 1 1 276.380 2.603 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000595299897 349597185 /nfs/dbraw/zinc/59/71/85/349597185.db2.gz FUTJYCSBUAIRHO-QGZVFWFLSA-N 1 1 280.375 2.634 20 30 CFEDMO C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000595344437 349606661 /nfs/dbraw/zinc/60/66/61/349606661.db2.gz FICHUYMVGPZIIO-MSOLQXFVSA-N 1 1 283.419 2.517 20 30 CFEDMO CCC(CC)C[N@@H+](CCC#N)C[C@H](OC)[C@@H]1CCOC1 ZINC000595348551 349608548 /nfs/dbraw/zinc/60/85/48/349608548.db2.gz SPEHZPUOBGUSCZ-CVEARBPZSA-N 1 1 282.428 2.690 20 30 CFEDMO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000595396001 349616032 /nfs/dbraw/zinc/61/60/32/349616032.db2.gz BFKAIBXVKHSOIR-KZNAEPCWSA-N 1 1 283.419 2.708 20 30 CFEDMO CC[C@H](CO)[N@@H+](CCCSCC#N)Cc1ccccc1 ZINC000347331706 529383869 /nfs/dbraw/zinc/38/38/69/529383869.db2.gz 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COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595621649 349679596 /nfs/dbraw/zinc/67/95/96/349679596.db2.gz XDAWGWSMBGTFNU-CYBMUJFWSA-N 1 1 269.348 2.693 20 30 CFEDMO N#CC[C@@H]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000595623213 349680419 /nfs/dbraw/zinc/68/04/19/349680419.db2.gz JXCIRQVWLDOKBS-ROUUACIJSA-N 1 1 283.419 2.887 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000595623213 349680420 /nfs/dbraw/zinc/68/04/20/349680420.db2.gz JXCIRQVWLDOKBS-ROUUACIJSA-N 1 1 283.419 2.887 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+]([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000595623213 349680423 /nfs/dbraw/zinc/68/04/23/349680423.db2.gz JXCIRQVWLDOKBS-ROUUACIJSA-N 1 1 283.419 2.887 20 30 CFEDMO C[N@@H+](CCN1CCC[C@@H](CC#N)C1)Cc1ccccc1 ZINC000595623890 349680513 /nfs/dbraw/zinc/68/05/13/349680513.db2.gz XVLVTODBIUMROI-KRWDZBQOSA-N 1 1 271.408 2.744 20 30 CFEDMO CN(CC[N@@H+]1CCC[C@@H](CC#N)C1)Cc1ccccc1 ZINC000595623890 349680515 /nfs/dbraw/zinc/68/05/15/349680515.db2.gz XVLVTODBIUMROI-KRWDZBQOSA-N 1 1 271.408 2.744 20 30 CFEDMO CN(CC[N@H+]1CCC[C@@H](CC#N)C1)Cc1ccccc1 ZINC000595623890 349680517 /nfs/dbraw/zinc/68/05/17/349680517.db2.gz XVLVTODBIUMROI-KRWDZBQOSA-N 1 1 271.408 2.744 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000595623497 349681044 /nfs/dbraw/zinc/68/10/44/349681044.db2.gz RTJIWMAILDJTNQ-DZGCQCFKSA-N 1 1 250.386 2.553 20 30 CFEDMO CC(C)c1nnc(C[NH2+]C(C)(C)c2cccc(C#N)c2)[nH]1 ZINC000595632554 349684031 /nfs/dbraw/zinc/68/40/31/349684031.db2.gz FPVAQDVEVYAKID-UHFFFAOYSA-N 1 1 283.379 2.825 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](CCC(C)(C)C(=O)OC)C1 ZINC000595658994 349692267 /nfs/dbraw/zinc/69/22/67/349692267.db2.gz LLNFLUDLCARQIJ-ZDUSSCGKSA-N 1 1 253.386 2.864 20 30 CFEDMO C=CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)C1 ZINC000595657745 349692325 /nfs/dbraw/zinc/69/23/25/349692325.db2.gz BPUXNSPZUCGNBV-HNNXBMFYSA-N 1 1 283.375 2.785 20 30 CFEDMO N#Cc1cnccc1C[NH+]1CCC(C2CCC2)CC1 ZINC000595659070 349693141 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C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000595671514 349695556 /nfs/dbraw/zinc/69/55/56/349695556.db2.gz SPDLGOSNPZFZQT-CJNGLKHVSA-N 1 1 258.365 2.541 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC000595732520 349719567 /nfs/dbraw/zinc/71/95/67/349719567.db2.gz ITEVPZFLBQUSJO-HZSPNIEDSA-N 1 1 251.370 2.616 20 30 CFEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)CC1=CCCOC1 ZINC000595748033 349721486 /nfs/dbraw/zinc/72/14/86/349721486.db2.gz UCLKVBHFUURKBR-UHFFFAOYSA-N 1 1 276.767 2.990 20 30 CFEDMO C[N@H+](Cc1ccc(Cl)cc1C#N)CC1=CCCOC1 ZINC000595748033 349721487 /nfs/dbraw/zinc/72/14/87/349721487.db2.gz UCLKVBHFUURKBR-UHFFFAOYSA-N 1 1 276.767 2.990 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000595742682 349721569 /nfs/dbraw/zinc/72/15/69/349721569.db2.gz YXFXWGSFPODAJC-INIZCTEOSA-N 1 1 291.439 2.651 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595748594 349722847 /nfs/dbraw/zinc/72/28/47/349722847.db2.gz APOZPQHINRRKBW-GUYCJALGSA-N 1 1 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C[C@]1(C#N)CCN(CCCCC[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595839702 349750692 /nfs/dbraw/zinc/75/06/92/349750692.db2.gz IHCCGVZAFSRKFT-IAGOWNOFSA-N 1 1 288.439 2.628 20 30 CFEDMO C[C@@]1(C#N)CC[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000595840356 349751348 /nfs/dbraw/zinc/75/13/48/349751348.db2.gz AAXHOGSKSILCEY-AWEZNQCLSA-N 1 1 294.301 2.786 20 30 CFEDMO C[C@@]1(C#N)CC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000595840356 349751350 /nfs/dbraw/zinc/75/13/50/349751350.db2.gz AAXHOGSKSILCEY-AWEZNQCLSA-N 1 1 294.301 2.786 20 30 CFEDMO C[C@]1(C#N)CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000595840181 349751929 /nfs/dbraw/zinc/75/19/29/349751929.db2.gz OKDZQJQGTQMFGH-MRXNPFEDSA-N 1 1 267.332 2.676 20 30 CFEDMO C[C@]1(C#N)CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000595840181 349751931 /nfs/dbraw/zinc/75/19/31/349751931.db2.gz OKDZQJQGTQMFGH-MRXNPFEDSA-N 1 1 267.332 2.676 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C(=O)OCC)cn1 ZINC000595845904 349753857 /nfs/dbraw/zinc/75/38/57/349753857.db2.gz 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199293788 /nfs/dbraw/zinc/29/37/88/199293788.db2.gz MAQSYBJMGLAIPA-OAHLLOKOSA-N 1 1 292.423 2.907 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@@H]1CCSc2c(F)cccc21 ZINC000295001404 199293790 /nfs/dbraw/zinc/29/37/90/199293790.db2.gz MAQSYBJMGLAIPA-OAHLLOKOSA-N 1 1 292.423 2.907 20 30 CFEDMO Cc1ccc(C#N)nc1N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000596175088 349817901 /nfs/dbraw/zinc/81/79/01/349817901.db2.gz LJUSWADLQRHAMN-INIZCTEOSA-N 1 1 278.359 2.860 20 30 CFEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000127955032 187343760 /nfs/dbraw/zinc/34/37/60/187343760.db2.gz ZANWCAOWBWRVOF-NVXWUHKLSA-N 1 1 288.366 2.824 20 30 CFEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)COC ZINC001231217296 781922921 /nfs/dbraw/zinc/92/29/21/781922921.db2.gz PPCXRRAMRXNFBX-HZPDHXFCSA-N 1 1 296.455 2.548 20 30 CFEDMO CN(c1nc(C#N)c(Cl)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000596231203 349834627 /nfs/dbraw/zinc/83/46/27/349834627.db2.gz HQJJVARGNIVXRL-ULKQDVFKSA-N 1 1 296.827 2.730 20 30 CFEDMO 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2.537 20 30 CFEDMO CC1(C)C[C@H]([N@H+]2CCc3c(CC#N)cccc3C2)CO1 ZINC000599679113 350480945 /nfs/dbraw/zinc/48/09/45/350480945.db2.gz WHZOFKWHXOILDR-HNNXBMFYSA-N 1 1 270.376 2.678 20 30 CFEDMO C[C@@H]1C[C@@H](C[N@H+]2CCc3c(CC#N)cccc3C2)CCO1 ZINC000599679393 350481169 /nfs/dbraw/zinc/48/11/69/350481169.db2.gz ZPRGLFHUHGANBR-CABCVRRESA-N 1 1 284.403 2.926 20 30 CFEDMO COC[C@]1(C)C[N@@H+](CCC2(C#N)CCCCC2)CCO1 ZINC000599696854 350485308 /nfs/dbraw/zinc/48/53/08/350485308.db2.gz OFRFZUGTHMGOAV-HNNXBMFYSA-N 1 1 280.412 2.588 20 30 CFEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCCOC1 ZINC000107064494 186159204 /nfs/dbraw/zinc/15/92/04/186159204.db2.gz IHJMMJREAKMRST-CYBMUJFWSA-N 1 1 262.328 2.556 20 30 CFEDMO CC[C@H](C)[N@@H+](CCO)Cc1cccc(OCCCC#N)c1 ZINC000600167752 350527929 /nfs/dbraw/zinc/52/79/29/350527929.db2.gz CKEKBFGJCNEAGV-HNNXBMFYSA-N 1 1 290.407 2.962 20 30 CFEDMO N#CC1(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@]4(CO)C3)cc2)CC1 ZINC000600209422 350539648 /nfs/dbraw/zinc/53/96/48/350539648.db2.gz 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/nfs/dbraw/zinc/59/91/55/350599155.db2.gz LETULBVSFOKWGW-FUHWJXTLSA-N 1 1 283.419 2.831 20 30 CFEDMO C=CC[N@@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000271394769 191114703 /nfs/dbraw/zinc/11/47/03/191114703.db2.gz KPPPIRMURMBWTP-UHFFFAOYSA-N 1 1 289.766 2.801 20 30 CFEDMO C=CC[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000271394769 191114705 /nfs/dbraw/zinc/11/47/05/191114705.db2.gz KPPPIRMURMBWTP-UHFFFAOYSA-N 1 1 289.766 2.801 20 30 CFEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000271399923 191116735 /nfs/dbraw/zinc/11/67/35/191116735.db2.gz LJEVPSIQPKJSCC-ZDUSSCGKSA-N 1 1 290.382 2.996 20 30 CFEDMO C=CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000271399923 191116738 /nfs/dbraw/zinc/11/67/38/191116738.db2.gz LJEVPSIQPKJSCC-ZDUSSCGKSA-N 1 1 290.382 2.996 20 30 CFEDMO CC(C)[N@@H+](C)CCCNc1ncc(C#N)c2ccsc21 ZINC000601104423 350668960 /nfs/dbraw/zinc/66/89/60/350668960.db2.gz WSWGNRQTYGRZNT-UHFFFAOYSA-N 1 1 288.420 2.732 20 30 CFEDMO N#CCCC[NH2+]Cc1ncc(Br)cc1Cl ZINC000601113991 350671312 /nfs/dbraw/zinc/67/13/12/350671312.db2.gz SNAHIHQCGCTPHX-UHFFFAOYSA-N 1 1 288.576 2.891 20 30 CFEDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1ncc(C#N)c2ccsc21 ZINC000601136698 350679048 /nfs/dbraw/zinc/67/90/48/350679048.db2.gz JOAGOQGVAUXVMI-WDEREUQCSA-N 1 1 286.404 2.697 20 30 CFEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1ncc(C#N)c2ccsc21 ZINC000601136697 350679245 /nfs/dbraw/zinc/67/92/45/350679245.db2.gz JOAGOQGVAUXVMI-QWRGUYRKSA-N 1 1 286.404 2.697 20 30 CFEDMO CC[C@@H]1C[N@@H+](C)CCCN1c1nc(C#N)c(Cl)s1 ZINC000601188072 350692184 /nfs/dbraw/zinc/69/21/84/350692184.db2.gz BDGTYSUESZPLMR-SECBINFHSA-N 1 1 284.816 2.589 20 30 CFEDMO CC[C@@H]1[C@@H](C(=O)N[C@H](CCC#N)c2ccccc2)CC[N@H+]1C ZINC000601358116 350726341 /nfs/dbraw/zinc/72/63/41/350726341.db2.gz KEHFWHHIRJFDBN-GVDBMIGSSA-N 1 1 299.418 2.878 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601971913 350821794 /nfs/dbraw/zinc/82/17/94/350821794.db2.gz XFXOSSYOOFZYMD-CZUORRHYSA-N 1 1 285.391 2.562 20 30 CFEDMO C=C(C)C[NH+]1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000601762103 350772732 /nfs/dbraw/zinc/77/27/32/350772732.db2.gz YXDCVNYHNQQLLN-INIZCTEOSA-N 1 1 294.826 2.567 20 30 CFEDMO Cc1cc(C)c(CNc2n[nH]c(C3CC3)c2C#N)c(C)[nH+]1 ZINC000601927209 350804601 /nfs/dbraw/zinc/80/46/01/350804601.db2.gz NSAUJQJWZBXAOK-UHFFFAOYSA-N 1 1 281.363 2.513 20 30 CFEDMO N#Cc1c(F)cccc1CNC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000602016679 350832119 /nfs/dbraw/zinc/83/21/19/350832119.db2.gz JCSOUMSZWLFSGL-HNNXBMFYSA-N 1 1 287.382 2.804 20 30 CFEDMO N#Cc1c(F)cccc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000602016679 350832122 /nfs/dbraw/zinc/83/21/22/350832122.db2.gz JCSOUMSZWLFSGL-HNNXBMFYSA-N 1 1 287.382 2.804 20 30 CFEDMO CNc1ccc(C#N)cc1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000602140751 350846167 /nfs/dbraw/zinc/84/61/67/350846167.db2.gz GMKNKWLMCJDAJC-UHFFFAOYSA-N 1 1 297.362 2.559 20 30 CFEDMO N#CC1(CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CCCCC1 ZINC000602183486 350849908 /nfs/dbraw/zinc/84/99/08/350849908.db2.gz NCTHUYHWTOHCLF-HNNXBMFYSA-N 1 1 289.423 2.594 20 30 CFEDMO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(F)c1C#N ZINC000602003168 350828303 /nfs/dbraw/zinc/82/83/03/350828303.db2.gz FVQGMAIMJGXCHL-OAHLLOKOSA-N 1 1 284.338 2.598 20 30 CFEDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2cccc(C#N)n2)C1(C)C ZINC000602482899 350901287 /nfs/dbraw/zinc/90/12/87/350901287.db2.gz JHIMUCRILBLIEZ-GOEBONIOSA-N 1 1 273.380 2.589 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000602486834 350902756 /nfs/dbraw/zinc/90/27/56/350902756.db2.gz VWGDKHUUKGOQOW-AWEZNQCLSA-N 1 1 295.390 2.701 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCn2c(nnc2-c2ccccc2)C1 ZINC000602486834 350902759 /nfs/dbraw/zinc/90/27/59/350902759.db2.gz VWGDKHUUKGOQOW-AWEZNQCLSA-N 1 1 295.390 2.701 20 30 CFEDMO CCOC(=O)CC[C@H]1CCC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602486660 350903406 /nfs/dbraw/zinc/90/34/06/350903406.db2.gz OLZMFQCTEMOLMU-LSDHHAIUSA-N 1 1 280.412 2.982 20 30 CFEDMO Cc1nc(C[NH2+][C@H](C)CC2(C#N)CCOCC2)cs1 ZINC000602508797 350909622 /nfs/dbraw/zinc/90/96/22/350909622.db2.gz AYZYOMZTSRUGBW-LLVKDONJSA-N 1 1 279.409 2.640 20 30 CFEDMO CC(C)N(CC[NH2+][C@H](C)CC1(C#N)CCOCC1)C(C)C ZINC000602511254 350910417 /nfs/dbraw/zinc/91/04/17/350910417.db2.gz ULLFQEBBHCSGFY-MRXNPFEDSA-N 1 1 295.471 2.794 20 30 CFEDMO COc1cc(C)ccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602568335 350927379 /nfs/dbraw/zinc/92/73/79/350927379.db2.gz JXCUZOGZGKVGII-UHFFFAOYSA-N 1 1 267.332 2.560 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCN(C(=O)C(C)(C)C)CC1(C)C ZINC000602581390 350933939 /nfs/dbraw/zinc/93/39/39/350933939.db2.gz JIDODYZUIXCMAN-CQSZACIVSA-N 1 1 293.455 2.895 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1cc(C(=O)OC)cs1 ZINC000602428211 350878295 /nfs/dbraw/zinc/87/82/95/350878295.db2.gz HRCUAQDHLUHSSY-UHFFFAOYSA-N 1 1 253.367 2.933 20 30 CFEDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1cccc(C#N)n1 ZINC000602434943 350881414 /nfs/dbraw/zinc/88/14/14/350881414.db2.gz HMOYZUUJCSPIOM-UHFFFAOYSA-N 1 1 285.322 2.603 20 30 CFEDMO CCOC(=O)C[N@@H+](Cc1ccccc1)C[C@@H](C)CCC#N ZINC000602439352 350882850 /nfs/dbraw/zinc/88/28/50/350882850.db2.gz YXOFREOVCJPWHF-HNNXBMFYSA-N 1 1 288.391 2.992 20 30 CFEDMO CCOC(=O)C[N@H+](Cc1ccccc1)C[C@@H](C)CCC#N ZINC000602439352 350882851 /nfs/dbraw/zinc/88/28/51/350882851.db2.gz YXOFREOVCJPWHF-HNNXBMFYSA-N 1 1 288.391 2.992 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000602438137 350882898 /nfs/dbraw/zinc/88/28/98/350882898.db2.gz BCVGVCHNVWZTTI-LBPRGKRZSA-N 1 1 261.325 2.966 20 30 CFEDMO COC(=O)CC[N@H+](Cc1ccccc1)C[C@@H](C)CCC#N ZINC000602443374 350885189 /nfs/dbraw/zinc/88/51/89/350885189.db2.gz SWEINVBIWARCQJ-HNNXBMFYSA-N 1 1 288.391 2.992 20 30 CFEDMO COc1cc(C[N@H+](C)Cc2cccc(C#N)n2)cc(OC)c1 ZINC000602443672 350885384 /nfs/dbraw/zinc/88/53/84/350885384.db2.gz HNHORHDYMSZXTG-UHFFFAOYSA-N 1 1 297.358 2.602 20 30 CFEDMO COc1cc(C[N@@H+](C)Cc2cccc(C#N)n2)cc(OC)c1 ZINC000602443672 350885387 /nfs/dbraw/zinc/88/53/87/350885387.db2.gz HNHORHDYMSZXTG-UHFFFAOYSA-N 1 1 297.358 2.602 20 30 CFEDMO CC(C)[N@H+](CCC#N)Cc1ccc2nccnc2c1 ZINC000602447548 350887319 /nfs/dbraw/zinc/88/73/19/350887319.db2.gz KPYYGEBMCPFHEL-UHFFFAOYSA-N 1 1 254.337 2.754 20 30 CFEDMO CC(C)[N@@H+](CCC#N)Cc1ccc2nccnc2c1 ZINC000602447548 350887321 /nfs/dbraw/zinc/88/73/21/350887321.db2.gz KPYYGEBMCPFHEL-UHFFFAOYSA-N 1 1 254.337 2.754 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000602447414 350887362 /nfs/dbraw/zinc/88/73/62/350887362.db2.gz FVYIHDCFJMESJX-HOTGVXAUSA-N 1 1 263.429 2.877 20 30 CFEDMO C[C@@H](CCC#N)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000602447414 350887364 /nfs/dbraw/zinc/88/73/64/350887364.db2.gz FVYIHDCFJMESJX-HOTGVXAUSA-N 1 1 263.429 2.877 20 30 CFEDMO CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602453083 350888202 /nfs/dbraw/zinc/88/82/02/350888202.db2.gz LIDOOHRCUZUVCP-PMPSAXMXSA-N 1 1 293.455 2.943 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000602453286 350889102 /nfs/dbraw/zinc/88/91/02/350889102.db2.gz JZCURJDPKPPYFB-CABCVRRESA-N 1 1 260.381 2.809 20 30 CFEDMO Cc1ccc(C[N@@H+](C)Cc2cccc(C#N)n2)s1 ZINC000602457342 350890041 /nfs/dbraw/zinc/89/00/41/350890041.db2.gz AELVHPYPDJZHQP-UHFFFAOYSA-N 1 1 257.362 2.955 20 30 CFEDMO Cc1ccc(C[N@H+](C)Cc2cccc(C#N)n2)s1 ZINC000602457342 350890046 /nfs/dbraw/zinc/89/00/46/350890046.db2.gz AELVHPYPDJZHQP-UHFFFAOYSA-N 1 1 257.362 2.955 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000602469376 350893225 /nfs/dbraw/zinc/89/32/25/350893225.db2.gz QYMHKSWTYGJGGF-RHSMWYFYSA-N 1 1 272.392 2.908 20 30 CFEDMO COC(=O)[C@H](c1ccccc1)[N@H+](C)C[C@H](C)CCC#N ZINC000602470278 350893428 /nfs/dbraw/zinc/89/34/28/350893428.db2.gz YGHQTLSNDOHTJN-HIFRSBDPSA-N 1 1 274.364 2.772 20 30 CFEDMO COC(=O)[C@H](c1ccccc1)[N@@H+](C)C[C@H](C)CCC#N ZINC000602470278 350893432 /nfs/dbraw/zinc/89/34/32/350893432.db2.gz YGHQTLSNDOHTJN-HIFRSBDPSA-N 1 1 274.364 2.772 20 30 CFEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602469284 350893765 /nfs/dbraw/zinc/89/37/65/350893765.db2.gz SJHYEQBDDHXKNF-CYBMUJFWSA-N 1 1 281.359 2.722 20 30 CFEDMO C=CCCC[N@@H+](C)Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602472078 350895276 /nfs/dbraw/zinc/89/52/76/350895276.db2.gz GBBQNYAPUWRQNP-UHFFFAOYSA-N 1 1 293.411 2.773 20 30 CFEDMO C=CCCC[N@H+](C)Cc1c(C(=O)OC(C)(C)C)cnn1C ZINC000602472078 350895277 /nfs/dbraw/zinc/89/52/77/350895277.db2.gz GBBQNYAPUWRQNP-UHFFFAOYSA-N 1 1 293.411 2.773 20 30 CFEDMO CCC[N@@H+](Cc1cccc(C#N)n1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000602475793 350897635 /nfs/dbraw/zinc/89/76/35/350897635.db2.gz ZLZDNYFUSUGMKF-BRWVUGGUSA-N 1 1 299.418 2.979 20 30 CFEDMO CC(C)C[C@]1(CO)CCC[N@H+]1C[C@@H](C)CCC#N ZINC000602640855 350958214 /nfs/dbraw/zinc/95/82/14/350958214.db2.gz DUPSITCVUFQEQB-GJZGRUSLSA-N 1 1 252.402 2.799 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000602647391 350960853 /nfs/dbraw/zinc/96/08/53/350960853.db2.gz IAWSOFZZOFBBPY-YTQUADARSA-N 1 1 297.446 2.990 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000602647391 350960854 /nfs/dbraw/zinc/96/08/54/350960854.db2.gz IAWSOFZZOFBBPY-YTQUADARSA-N 1 1 297.446 2.990 20 30 CFEDMO C[C@H](CCC#N)C[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000602655738 350962588 /nfs/dbraw/zinc/96/25/88/350962588.db2.gz UVTILGMQHHGXEK-GFCCVEGCSA-N 1 1 256.353 2.635 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](CCN(C)C)Cc1ccc(C#N)cc1 ZINC000602659540 350964769 /nfs/dbraw/zinc/96/47/69/350964769.db2.gz PEHRMZMHSCJCHF-INIZCTEOSA-N 1 1 298.434 2.862 20 30 CFEDMO C[C@@H](CCC#N)CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000602659540 350964773 /nfs/dbraw/zinc/96/47/73/350964773.db2.gz PEHRMZMHSCJCHF-INIZCTEOSA-N 1 1 298.434 2.862 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)CCn1cc(Br)cn1 ZINC000602672328 350970641 /nfs/dbraw/zinc/97/06/41/350970641.db2.gz XCIJOWOMAWXGCY-NSHDSACASA-N 1 1 299.216 2.517 20 30 CFEDMO CC(C)OCc1nc([C@H](C)[NH2+]C2CCC(C#N)CC2)no1 ZINC000602676341 350973555 /nfs/dbraw/zinc/97/35/55/350973555.db2.gz NFVSVCWEMZBJGC-HIFPTAJRSA-N 1 1 292.383 2.728 20 30 CFEDMO 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351057265 /nfs/dbraw/zinc/05/72/65/351057265.db2.gz VXGNWERYBDFEAP-KRWDZBQOSA-N 1 1 296.374 2.887 20 30 CFEDMO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000602883732 351057623 /nfs/dbraw/zinc/05/76/23/351057623.db2.gz LWUSPNPEYYIZQH-OWCLPIDISA-N 1 1 299.418 2.878 20 30 CFEDMO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000602883732 351057627 /nfs/dbraw/zinc/05/76/27/351057627.db2.gz LWUSPNPEYYIZQH-OWCLPIDISA-N 1 1 299.418 2.878 20 30 CFEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)CC2)cc1 ZINC000602894052 351059413 /nfs/dbraw/zinc/05/94/13/351059413.db2.gz XOPRDCWLGXMBFI-QGZVFWFLSA-N 1 1 295.390 2.571 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000602895646 351060270 /nfs/dbraw/zinc/06/02/70/351060270.db2.gz BQNVIWHVGKNUQR-INIZCTEOSA-N 1 1 278.359 2.994 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ncccn1 ZINC000602895646 351060274 /nfs/dbraw/zinc/06/02/74/351060274.db2.gz BQNVIWHVGKNUQR-INIZCTEOSA-N 1 1 278.359 2.994 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2c2ncccn2)cc1 ZINC000602897355 351060362 /nfs/dbraw/zinc/06/03/62/351060362.db2.gz IXRCTQJRXYYUEJ-INIZCTEOSA-N 1 1 278.359 2.728 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000602895647 351060451 /nfs/dbraw/zinc/06/04/51/351060451.db2.gz BQNVIWHVGKNUQR-MRXNPFEDSA-N 1 1 278.359 2.994 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1ncccn1 ZINC000602895647 351060456 /nfs/dbraw/zinc/06/04/56/351060456.db2.gz BQNVIWHVGKNUQR-MRXNPFEDSA-N 1 1 278.359 2.994 20 30 CFEDMO Cc1ccc2cc(C[NH+]3CCN(CCC#N)CC3)[nH]c2c1 ZINC000602752289 351013527 /nfs/dbraw/zinc/01/35/27/351013527.db2.gz QRIRQQFADNYWHX-UHFFFAOYSA-N 1 1 282.391 2.508 20 30 CFEDMO C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)[C@H](CO)C1 ZINC000602931463 351068700 /nfs/dbraw/zinc/06/87/00/351068700.db2.gz VXAIEOCCRKXOAX-CABCVRRESA-N 1 1 264.413 2.943 20 30 CFEDMO C[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@@H]1CCC[C@H]1C#N ZINC000602975874 351076410 /nfs/dbraw/zinc/07/64/10/351076410.db2.gz IFBWYQIXDZICTR-SWLSCSKDSA-N 1 1 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C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(Cl)c2)CCN1C ZINC000619754631 353063415 /nfs/dbraw/zinc/06/34/15/353063415.db2.gz GHVXOROALVZRQV-SMDDNHRTSA-N 1 1 277.799 2.784 20 30 CFEDMO C=CCNC(=O)C[N@@H+](Cc1ccccc1)C(C)(C)C ZINC000152300408 188007667 /nfs/dbraw/zinc/00/76/67/188007667.db2.gz AKSRZFYJWYKUOG-UHFFFAOYSA-N 1 1 260.381 2.589 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC000620313078 353150268 /nfs/dbraw/zinc/15/02/68/353150268.db2.gz VATSGRQZKPNRLV-QLFBSQMISA-N 1 1 262.397 2.570 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000620310470 353150338 /nfs/dbraw/zinc/15/03/38/353150338.db2.gz NZSPELNIAGUKGK-XFIYOXNOSA-N 1 1 276.424 2.957 20 30 CFEDMO Cc1nc(NC[C@H](C)[N@@H+](C)C2CC2)c(Cl)cc1C#N ZINC000292370578 198261295 /nfs/dbraw/zinc/26/12/95/198261295.db2.gz DEMRZPNMRXSCIU-VIFPVBQESA-N 1 1 278.787 2.810 20 30 CFEDMO C=CCC(CC=C)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000153832028 188105925 /nfs/dbraw/zinc/10/59/25/188105925.db2.gz 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C[N@H+]1CC[C@H](Nc2ncccc2C#N)[C@@H]1c1ccc(F)cc1 ZINC000301853860 201233366 /nfs/dbraw/zinc/23/33/66/201233366.db2.gz QKFFPDWWJXTVFD-HOTGVXAUSA-N 1 1 296.349 2.950 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)CC(F)(F)F ZINC000425537689 239092436 /nfs/dbraw/zinc/09/24/36/239092436.db2.gz QQLGRPPCCXYXSU-ZWNOBZJWSA-N 1 1 286.297 2.864 20 30 CFEDMO CC1=CC[N@@H+](CCNc2ccc(C#N)cc2F)CC1 ZINC000302175980 201383866 /nfs/dbraw/zinc/38/38/66/201383866.db2.gz WGCWXDZEJNWFBP-UHFFFAOYSA-N 1 1 259.328 2.761 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCc1cnccn1 ZINC000442897007 241018638 /nfs/dbraw/zinc/01/86/38/241018638.db2.gz GVKSHDAKWCMOMO-CYBMUJFWSA-N 1 1 266.348 2.584 20 30 CFEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000443331841 241051628 /nfs/dbraw/zinc/05/16/28/241051628.db2.gz FSABZBSVAXDHHO-WQGACYEGSA-N 1 1 276.355 2.679 20 30 CFEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(F)cc1C#N ZINC000443331841 241051632 /nfs/dbraw/zinc/05/16/32/241051632.db2.gz 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CCc1noc(C)c1C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000292950419 381919054 /nfs/dbraw/zinc/91/90/54/381919054.db2.gz KMEHFIPXYRHTMR-UHFFFAOYSA-N 1 1 285.347 2.716 20 30 CFEDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000373096466 381925795 /nfs/dbraw/zinc/92/57/95/381925795.db2.gz DDXSKMFNDGNOHV-AWEZNQCLSA-N 1 1 298.365 2.810 20 30 CFEDMO C#CCC[N@@H+](C)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000362064099 381892045 /nfs/dbraw/zinc/89/20/45/381892045.db2.gz HOPBIPCRBFXESA-MRXNPFEDSA-N 1 1 269.323 2.660 20 30 CFEDMO C#CCC[N@H+](C)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000362064099 381892051 /nfs/dbraw/zinc/89/20/51/381892051.db2.gz HOPBIPCRBFXESA-MRXNPFEDSA-N 1 1 269.323 2.660 20 30 CFEDMO C[C@H]1CCOCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000362233512 381968647 /nfs/dbraw/zinc/96/86/47/381968647.db2.gz FQOXYDIGFKYAMG-ZDUSSCGKSA-N 1 1 263.768 2.802 20 30 CFEDMO C[C@H]1CCOCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000362233512 381968652 /nfs/dbraw/zinc/96/86/52/381968652.db2.gz FQOXYDIGFKYAMG-ZDUSSCGKSA-N 1 1 263.768 2.802 20 30 CFEDMO CC#CC[N@@H+](C)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000293054181 381968982 /nfs/dbraw/zinc/96/89/82/381968982.db2.gz IBHZDFYZFWVILF-CJNGLKHVSA-N 1 1 295.810 2.734 20 30 CFEDMO C=CC[C@H](CC)NC(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000343763715 381931946 /nfs/dbraw/zinc/93/19/46/381931946.db2.gz HQXMEPXJPQDNIX-FZKCQIBNSA-N 1 1 296.455 2.591 20 30 CFEDMO C=CC[C@H](CC)NC(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000343763715 381931956 /nfs/dbraw/zinc/93/19/56/381931956.db2.gz HQXMEPXJPQDNIX-FZKCQIBNSA-N 1 1 296.455 2.591 20 30 CFEDMO COC(=O)[C@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC12CCC2 ZINC000373153673 381937380 /nfs/dbraw/zinc/93/73/80/381937380.db2.gz UCXHWSIRGVEACR-XJKSGUPXSA-N 1 1 298.386 2.894 20 30 CFEDMO Cc1ccc(N(C)CCC[N@@H+](C)Cc2ccco2)nc1C#N ZINC000343782537 381939423 /nfs/dbraw/zinc/93/94/23/381939423.db2.gz OLBDDPVFWZMOJW-UHFFFAOYSA-N 1 1 298.390 2.813 20 30 CFEDMO COC(=O)CC[N@@H+](CCCC(C)(C)C#N)C(C)C ZINC000350057738 382004323 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CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC#N ZINC000374656950 382051565 /nfs/dbraw/zinc/05/15/65/382051565.db2.gz CIIBTNKPDRLLQK-KGLIPLIRSA-N 1 1 293.411 2.764 20 30 CFEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000374731294 382054566 /nfs/dbraw/zinc/05/45/66/382054566.db2.gz JJMJOVVEOFVEJI-ZBFHGGJFSA-N 1 1 293.374 2.727 20 30 CFEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000374731294 382054571 /nfs/dbraw/zinc/05/45/71/382054571.db2.gz JJMJOVVEOFVEJI-ZBFHGGJFSA-N 1 1 293.374 2.727 20 30 CFEDMO C=CCCCCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000351683942 382055117 /nfs/dbraw/zinc/05/51/17/382055117.db2.gz GLXNDOKNPIHKPI-CABCVRRESA-N 1 1 281.444 2.905 20 30 CFEDMO C=CC[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000343996649 382057970 /nfs/dbraw/zinc/05/79/70/382057970.db2.gz SXGWWQCYXRDUEX-UHFFFAOYSA-N 1 1 259.378 2.604 20 30 CFEDMO C=C(C)CC[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000351731833 382058701 /nfs/dbraw/zinc/05/87/01/382058701.db2.gz XBAPLTHMUMYKNP-UHFFFAOYSA-N 1 1 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ZINC000247297809 383160734 /nfs/dbraw/zinc/16/07/34/383160734.db2.gz HVNFBDNZBKCNOS-HLLBOEOZSA-N 1 1 289.419 2.885 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000516313568 383164106 /nfs/dbraw/zinc/16/41/06/383164106.db2.gz QISDIJIDIARLRB-DLBZAZTESA-N 1 1 286.419 2.979 20 30 CFEDMO C=CC[C@H](Cc1ccccc1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000516312761 383164269 /nfs/dbraw/zinc/16/42/69/383164269.db2.gz KAFISSCCNYWECV-NVXWUHKLSA-N 1 1 286.419 2.632 20 30 CFEDMO C[C@H](C#N)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563150387 383165470 /nfs/dbraw/zinc/16/54/70/383165470.db2.gz NBSTYHQXCKFXPQ-NVXWUHKLSA-N 1 1 283.419 2.933 20 30 CFEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CCOCCC#N)C1 ZINC000339147009 383166613 /nfs/dbraw/zinc/16/66/13/383166613.db2.gz DGOCRELUGNFANP-TWMKSMIVSA-N 1 1 294.439 2.568 20 30 CFEDMO CCC[N@H+](CC(=O)NC1(C#N)CCCCC1)CC(C)C ZINC000520172751 383248947 /nfs/dbraw/zinc/24/89/47/383248947.db2.gz XTMVGSTXLMGAGV-UHFFFAOYSA-N 1 1 279.428 2.697 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](F)C2)cc1OC ZINC000449388167 383256726 /nfs/dbraw/zinc/25/67/26/383256726.db2.gz OIQVMHGNFWZGEU-ZDUSSCGKSA-N 1 1 265.328 2.804 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](F)C2)cc1OC ZINC000449388167 383256730 /nfs/dbraw/zinc/25/67/30/383256730.db2.gz OIQVMHGNFWZGEU-ZDUSSCGKSA-N 1 1 265.328 2.804 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@H](C)N(C)[C@H](C)C1 ZINC000339613920 383262503 /nfs/dbraw/zinc/26/25/03/383262503.db2.gz HCKZIFSRDFIUDP-MGPQQGTHSA-N 1 1 257.381 2.644 20 30 CFEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000424810886 383267434 /nfs/dbraw/zinc/26/74/34/383267434.db2.gz OFCAFRVWXNPAGG-CQSZACIVSA-N 1 1 264.413 2.722 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000567382770 383269302 /nfs/dbraw/zinc/26/93/02/383269302.db2.gz XJIRNDLGMXAVGM-INIZCTEOSA-N 1 1 293.370 2.951 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)nc1 ZINC000567444500 383275871 /nfs/dbraw/zinc/27/58/71/383275871.db2.gz XXMPRDBLOIXECV-LSDHHAIUSA-N 1 1 273.405 2.813 20 30 CFEDMO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[N@H+](CC)CCC ZINC000424840950 383276422 /nfs/dbraw/zinc/27/64/22/383276422.db2.gz YXUBBLCXCITRNN-ZDUSSCGKSA-N 1 1 254.418 2.825 20 30 CFEDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1ccc(C#N)cn1 ZINC000566923549 383224941 /nfs/dbraw/zinc/22/49/41/383224941.db2.gz LNGNBOOVITUCNZ-UHFFFAOYSA-N 1 1 298.390 2.500 20 30 CFEDMO CN(CCC[N@H+](C)Cc1ccc(C#N)cn1)Cc1ccco1 ZINC000566923549 383224943 /nfs/dbraw/zinc/22/49/43/383224943.db2.gz LNGNBOOVITUCNZ-UHFFFAOYSA-N 1 1 298.390 2.500 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000248342779 383226034 /nfs/dbraw/zinc/22/60/34/383226034.db2.gz JUCASIQIXJZASE-IIDMSEBBSA-N 1 1 299.418 2.688 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000248342779 383226040 /nfs/dbraw/zinc/22/60/40/383226040.db2.gz JUCASIQIXJZASE-IIDMSEBBSA-N 1 1 299.418 2.688 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339670338 383279867 /nfs/dbraw/zinc/27/98/67/383279867.db2.gz BGOCOSAIHKRZHP-GOEBONIOSA-N 1 1 278.440 2.922 20 30 CFEDMO CC(C)(C)[C@@H]1CCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000567111529 383242092 /nfs/dbraw/zinc/24/20/92/383242092.db2.gz FZIVFBQAJOHSQU-AWEZNQCLSA-N 1 1 283.379 2.611 20 30 CFEDMO CC[N@@H+](CC(=O)N(C)[C@H](C)c1cccc(C#N)c1)C1CC1 ZINC000425133447 383328577 /nfs/dbraw/zinc/32/85/77/383328577.db2.gz SQAWAIUUMQVXNA-CYBMUJFWSA-N 1 1 285.391 2.562 20 30 CFEDMO CCO[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1C ZINC000449490708 383329126 /nfs/dbraw/zinc/32/91/26/383329126.db2.gz CLTAKDJNJZDNLH-BBRMVZONSA-N 1 1 258.365 2.805 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339820792 383329678 /nfs/dbraw/zinc/32/96/78/383329678.db2.gz LQMGMLXJAKCOBA-JKSUJKDBSA-N 1 1 296.455 2.546 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339826457 383332962 /nfs/dbraw/zinc/33/29/62/383332962.db2.gz QDGMNPMASUIAFH-QGZVFWFLSA-N 1 1 288.391 2.814 20 30 CFEDMO N#Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000425201428 383339368 /nfs/dbraw/zinc/33/93/68/383339368.db2.gz AEWGZIAXYXQKRZ-OLZOCXBDSA-N 1 1 286.335 2.505 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000249327196 383340324 /nfs/dbraw/zinc/34/03/24/383340324.db2.gz NTDBNXGRYOCGDA-ZIAGYGMSSA-N 1 1 252.402 2.531 20 30 CFEDMO CCO[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C[C@H]1C ZINC000449504926 383341116 /nfs/dbraw/zinc/34/11/16/383341116.db2.gz YUGKYSJGROQWRC-RISCZKNCSA-N 1 1 264.394 2.867 20 30 CFEDMO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCCC1 ZINC000459307550 383284165 /nfs/dbraw/zinc/28/41/65/383284165.db2.gz OHEIGLCNIILYMF-UHFFFAOYSA-N 1 1 259.309 2.841 20 30 CFEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C1CCCC1 ZINC000459307550 383284169 /nfs/dbraw/zinc/28/41/69/383284169.db2.gz OHEIGLCNIILYMF-UHFFFAOYSA-N 1 1 259.309 2.841 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000248743103 383287263 /nfs/dbraw/zinc/28/72/63/383287263.db2.gz MNMPUTMESHMXAH-CJNGLKHVSA-N 1 1 285.391 2.784 20 30 CFEDMO CC(C)[C@@]1(CO)CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000339707866 383292392 /nfs/dbraw/zinc/29/23/92/383292392.db2.gz BVZQGJYUCWASIX-HNNXBMFYSA-N 1 1 252.402 2.657 20 30 CFEDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000339703688 383292813 /nfs/dbraw/zinc/29/28/13/383292813.db2.gz UUPRRSZAMSFFOA-KRWDZBQOSA-N 1 1 290.382 2.928 20 30 CFEDMO CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000339706026 383292825 /nfs/dbraw/zinc/29/28/25/383292825.db2.gz CYHFIJVFMLXOFD-SFHVURJKSA-N 1 1 286.419 2.983 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248859598 383299252 /nfs/dbraw/zinc/29/92/52/383299252.db2.gz PPNBTWFAUSMTMS-PMPSAXMXSA-N 1 1 263.429 2.923 20 30 CFEDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc(C#N)c(F)c3)CC[C@H]21 ZINC000248914471 383307321 /nfs/dbraw/zinc/30/73/21/383307321.db2.gz ZEBLKERRCLHFJI-DOTOQJQBSA-N 1 1 287.382 2.613 20 30 CFEDMO CC#CC[N@@H+](C)Cc1ccc(O)c2nc(C)ccc12 ZINC000339766612 383310224 /nfs/dbraw/zinc/31/02/24/383310224.db2.gz RMYPNJASTMVIGW-UHFFFAOYSA-N 1 1 254.333 2.704 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)s1 ZINC000449468773 383312200 /nfs/dbraw/zinc/31/22/00/383312200.db2.gz LLASTJUKYHRRHX-RRFJBIMHSA-N 1 1 276.405 2.745 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)s1 ZINC000449468774 383312431 /nfs/dbraw/zinc/31/24/31/383312431.db2.gz LLASTJUKYHRRHX-ZNMIVQPWSA-N 1 1 276.405 2.745 20 30 CFEDMO C=CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)c1ccccc1 ZINC000425065364 383316203 /nfs/dbraw/zinc/31/62/03/383316203.db2.gz LDMDVUUNDPAXLW-RCCFBDPRSA-N 1 1 298.430 2.899 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000249094066 383325379 /nfs/dbraw/zinc/32/53/79/383325379.db2.gz FDJQLGDHZGLAES-KBPBESRZSA-N 1 1 285.391 2.597 20 30 CFEDMO CCN(C[C@@H](C)C#N)C[C@@H]1CCCC[N@H+]1C(C)C ZINC000450325111 383389772 /nfs/dbraw/zinc/38/97/72/383389772.db2.gz BTSHFSWELSELMH-GJZGRUSLSA-N 1 1 251.418 2.731 20 30 CFEDMO CO[C@@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC[C@H]1C ZINC000251615608 383390756 /nfs/dbraw/zinc/39/07/56/383390756.db2.gz GIQVTILMSNIAHM-DVOMOZLQSA-N 1 1 258.365 2.976 20 30 CFEDMO C=CCOc1cccc(CNCC[N@H+]2CC[C@H](C)C2)c1 ZINC000525288029 383400815 /nfs/dbraw/zinc/40/08/15/383400815.db2.gz KWXHFSMSGFKAPT-HNNXBMFYSA-N 1 1 274.408 2.683 20 30 CFEDMO C=CCOc1cccc(CNCC[N@@H+]2CC[C@H](C)C2)c1 ZINC000525288029 383400819 /nfs/dbraw/zinc/40/08/19/383400819.db2.gz KWXHFSMSGFKAPT-HNNXBMFYSA-N 1 1 274.408 2.683 20 30 CFEDMO N#CCCN(C(=O)C[N@H+]1CC[C@H]2CCC[C@H]21)c1ccccc1 ZINC000426465799 383401111 /nfs/dbraw/zinc/40/11/11/383401111.db2.gz CFKRUQAFMFHRHR-NVXWUHKLSA-N 1 1 297.402 2.808 20 30 CFEDMO C=CCCC[N@@H+](C)Cc1noc(-c2cncc(C)c2)n1 ZINC000450420543 383401789 /nfs/dbraw/zinc/40/17/89/383401789.db2.gz KIGKXJNXTNQRRX-UHFFFAOYSA-N 1 1 272.352 2.838 20 30 CFEDMO C=CCCC[N@H+](C)Cc1noc(-c2cncc(C)c2)n1 ZINC000450420543 383401794 /nfs/dbraw/zinc/40/17/94/383401794.db2.gz KIGKXJNXTNQRRX-UHFFFAOYSA-N 1 1 272.352 2.838 20 30 CFEDMO C[N@H+](CC1(C#N)CCC1)[C@@H](CCO)c1ccccc1 ZINC000450434139 383409119 /nfs/dbraw/zinc/40/91/19/383409119.db2.gz COHKSICADWJPLQ-HNNXBMFYSA-N 1 1 258.365 2.736 20 30 CFEDMO C[N@@H+](CC1(C#N)CCC1)[C@@H](CCO)c1ccccc1 ZINC000450434139 383409126 /nfs/dbraw/zinc/40/91/26/383409126.db2.gz COHKSICADWJPLQ-HNNXBMFYSA-N 1 1 258.365 2.736 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)NCCC1CCCCC1 ZINC000467289458 383350905 /nfs/dbraw/zinc/35/09/05/383350905.db2.gz NGAIIFMQLBBBRX-UHFFFAOYSA-N 1 1 252.402 2.581 20 30 CFEDMO CCCn1cc[nH+]c1CCCN(C)c1cc(C)ncc1C#N ZINC000425265260 383352942 /nfs/dbraw/zinc/35/29/42/383352942.db2.gz ZKIBVNHWZDRQTN-UHFFFAOYSA-N 1 1 297.406 2.937 20 30 CFEDMO C[N@H+]1CCC[C@H](CCNc2c(C#N)cccc2[N+](=O)[O-])C1 ZINC000425266767 383354045 /nfs/dbraw/zinc/35/40/45/383354045.db2.gz IWQYPPLKUQSLFX-GFCCVEGCSA-N 1 1 288.351 2.610 20 30 CFEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000449547883 383354697 /nfs/dbraw/zinc/35/46/97/383354697.db2.gz KJGHRCGIWWAWCS-BDAKNGLRSA-N 1 1 292.326 2.985 20 30 CFEDMO C=CCC[C@H]([NH2+]C[C@@H]1CCO[C@H](CC)C1)C(=O)OCC ZINC000449658053 383359774 /nfs/dbraw/zinc/35/97/74/383359774.db2.gz RYNJHMZSCVQWKG-KFWWJZLASA-N 1 1 283.412 2.679 20 30 CFEDMO C=CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449886107 383369448 /nfs/dbraw/zinc/36/94/48/383369448.db2.gz GSWTYYYVSRMVHD-DZGCQCFKSA-N 1 1 264.413 2.864 20 30 CFEDMO C=CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449886109 383370190 /nfs/dbraw/zinc/37/01/90/383370190.db2.gz GSWTYYYVSRMVHD-UKRRQHHQSA-N 1 1 264.413 2.864 20 30 CFEDMO C=CCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000568185489 383370444 /nfs/dbraw/zinc/37/04/44/383370444.db2.gz ABNSLPVPHFXBDA-UONOGXRCSA-N 1 1 267.417 2.515 20 30 CFEDMO C=CC(C)(C)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000449964462 383374578 /nfs/dbraw/zinc/37/45/78/383374578.db2.gz IIJCWSXXWLSKNT-CYBMUJFWSA-N 1 1 252.402 2.531 20 30 CFEDMO C=CCC1(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)CCCC1 ZINC000449995879 383375797 /nfs/dbraw/zinc/37/57/97/383375797.db2.gz NNIJKFDMKRKOSW-HNNXBMFYSA-N 1 1 278.440 2.923 20 30 CFEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1CC#Cc1ccccc1Cl ZINC000425484696 383381325 /nfs/dbraw/zinc/38/13/25/383381325.db2.gz SSSSFNXLKZEHJH-KRWDZBQOSA-N 1 1 290.838 2.964 20 30 CFEDMO N#CC1(CC[N@H+]2CCC[C@@H](n3ccnn3)C2)CCCCC1 ZINC000425518636 383382531 /nfs/dbraw/zinc/38/25/31/383382531.db2.gz VXPKULCCUJMRJB-OAHLLOKOSA-N 1 1 287.411 2.779 20 30 CFEDMO C=CCCCCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000474080470 383383488 /nfs/dbraw/zinc/38/34/88/383383488.db2.gz NGWLBRCBBDAUFZ-CABCVRRESA-N 1 1 281.444 2.857 20 30 CFEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425532255 383383621 /nfs/dbraw/zinc/38/36/21/383383621.db2.gz IVYIZOLRDOZWTG-CJNGLKHVSA-N 1 1 258.365 2.878 20 30 CFEDMO C[C@@H]1CCC[N@H+](CCCC#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425526604 383384114 /nfs/dbraw/zinc/38/41/14/383384114.db2.gz XHAOFESMSZNANQ-OLZOCXBDSA-N 1 1 266.385 2.732 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CCCC#N)[C@@H]1C(=O)OC(C)(C)C ZINC000425526604 383384118 /nfs/dbraw/zinc/38/41/18/383384118.db2.gz XHAOFESMSZNANQ-OLZOCXBDSA-N 1 1 266.385 2.732 20 30 CFEDMO C=C(C)C[N@@H+](CC)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450248797 383387029 /nfs/dbraw/zinc/38/70/29/383387029.db2.gz YMEVGCVCLCZYDP-UHFFFAOYSA-N 1 1 281.421 2.878 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450248797 383387032 /nfs/dbraw/zinc/38/70/32/383387032.db2.gz YMEVGCVCLCZYDP-UHFFFAOYSA-N 1 1 281.421 2.878 20 30 CFEDMO N#Cc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000252657736 383424546 /nfs/dbraw/zinc/42/45/46/383424546.db2.gz GKXCEKGOZAWNOB-GVDBMIGSSA-N 1 1 269.392 2.569 20 30 CFEDMO N#Cc1cc(F)c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(F)c1 ZINC000252667654 383425498 /nfs/dbraw/zinc/42/54/98/383425498.db2.gz NGIOEZMEXGSXQE-NEPJUHHUSA-N 1 1 277.318 2.875 20 30 CFEDMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428230214 383431704 /nfs/dbraw/zinc/43/17/04/383431704.db2.gz GYNLVGQEKYXHKS-HOTGVXAUSA-N 1 1 276.355 2.823 20 30 CFEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428230214 383431707 /nfs/dbraw/zinc/43/17/07/383431707.db2.gz GYNLVGQEKYXHKS-HOTGVXAUSA-N 1 1 276.355 2.823 20 30 CFEDMO C=CCCOCC[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000634973785 383435085 /nfs/dbraw/zinc/43/50/85/383435085.db2.gz KRJMWJCSPZOPFO-UHFFFAOYSA-N 1 1 264.300 2.649 20 30 CFEDMO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cccc(F)c1C#N ZINC000428255816 383438275 /nfs/dbraw/zinc/43/82/75/383438275.db2.gz YWOVGJFMHKGSOJ-UHFFFAOYSA-N 1 1 292.354 2.861 20 30 CFEDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cccc(F)c1C#N ZINC000428255816 383438279 /nfs/dbraw/zinc/43/82/79/383438279.db2.gz YWOVGJFMHKGSOJ-UHFFFAOYSA-N 1 1 292.354 2.861 20 30 CFEDMO COc1cccc(C2([NH2+]CC3(C#N)CCC3)CC2)c1 ZINC000450675249 383481434 /nfs/dbraw/zinc/48/14/34/383481434.db2.gz BNIHIRYKXNDNMB-UHFFFAOYSA-N 1 1 256.349 2.968 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000253088520 383442257 /nfs/dbraw/zinc/44/22/57/383442257.db2.gz FKRCHBAZOUXMGF-BRWVUGGUSA-N 1 1 270.376 2.684 20 30 CFEDMO C=C(Br)C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253088778 383442980 /nfs/dbraw/zinc/44/29/80/383442980.db2.gz FYBDXSLDBZATBN-UPJWGTAASA-N 1 1 288.229 2.911 20 30 CFEDMO N#CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253089991 383443229 /nfs/dbraw/zinc/44/32/29/383443229.db2.gz HLSCWBKUQDZUQL-KFWWJZLASA-N 1 1 250.386 2.696 20 30 CFEDMO CC(C)(C)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@H]1O ZINC000484091345 383454120 /nfs/dbraw/zinc/45/41/20/383454120.db2.gz FCKPXIJYFMCVPE-DLBZAZTESA-N 1 1 271.404 2.767 20 30 CFEDMO C=CCCCCC[N@@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000487871899 383482371 /nfs/dbraw/zinc/48/23/71/383482371.db2.gz NKNPJRLLOBXTGJ-AWEZNQCLSA-N 1 1 252.402 2.723 20 30 CFEDMO Cc1ccc([C@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)cc1 ZINC000527377184 383469312 /nfs/dbraw/zinc/46/93/12/383469312.db2.gz FGPPTDLOFLRZBC-MRXNPFEDSA-N 1 1 297.402 2.694 20 30 CFEDMO 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C#CCCCC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000192113165 533007348 /nfs/dbraw/zinc/00/73/48/533007348.db2.gz MJUOGVFVUUJJEG-UHFFFAOYSA-N 1 1 298.430 2.913 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433300084 383758892 /nfs/dbraw/zinc/75/88/92/383758892.db2.gz DDLPZZAGYIOEIQ-TZMCWYRMSA-N 1 1 292.810 2.820 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000433300084 383758898 /nfs/dbraw/zinc/75/88/98/383758898.db2.gz DDLPZZAGYIOEIQ-TZMCWYRMSA-N 1 1 292.810 2.820 20 30 CFEDMO COc1ccc(OCC[N@H+](C)CC(C)(C)C#N)cc1 ZINC000433301474 383759119 /nfs/dbraw/zinc/75/91/19/383759119.db2.gz VTZJEZUFWKPMAR-UHFFFAOYSA-N 1 1 262.353 2.556 20 30 CFEDMO COc1ccc(OCC[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000433301474 383759125 /nfs/dbraw/zinc/75/91/25/383759125.db2.gz VTZJEZUFWKPMAR-UHFFFAOYSA-N 1 1 262.353 2.556 20 30 CFEDMO C=CCCCN(C)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433961596 383765214 /nfs/dbraw/zinc/76/52/14/383765214.db2.gz VISRKGJDOFRDFS-HNNXBMFYSA-N 1 1 279.428 2.611 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)CCOCC ZINC000434626672 383769682 /nfs/dbraw/zinc/76/96/82/383769682.db2.gz JJAQPERFSFXMLF-HNNXBMFYSA-N 1 1 281.371 2.601 20 30 CFEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+]1CCC2(C1)CCCCC2 ZINC000530334436 383770524 /nfs/dbraw/zinc/77/05/24/383770524.db2.gz RFEBHYGFESLMLG-AWEZNQCLSA-N 1 1 289.423 2.594 20 30 CFEDMO C[N@@H+](CCCCC(C)(C)C#N)CCN1CCOC(C)(C)C1 ZINC000434697349 383771044 /nfs/dbraw/zinc/77/10/44/383771044.db2.gz NWBNMGGYUAYWJF-UHFFFAOYSA-N 1 1 295.471 2.749 20 30 CFEDMO C[C@H]([C@H](C)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCOCC1 ZINC000264698009 383773443 /nfs/dbraw/zinc/77/34/43/383773443.db2.gz DKQXGUDNPTZPFK-NWDGAFQWSA-N 1 1 293.798 2.733 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cnc(N2CCCC2)nc1 ZINC000572340050 383774073 /nfs/dbraw/zinc/77/40/73/383774073.db2.gz HRQFRAXJPZAGRR-OAHLLOKOSA-N 1 1 272.396 2.617 20 30 CFEDMO CC(C)CCO[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000435533334 383776772 /nfs/dbraw/zinc/77/67/72/383776772.db2.gz IKVPKFZCXPMAKJ-HUUCEWRRSA-N 1 1 263.385 2.567 20 30 CFEDMO CC(C)CCO[C@@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000435533334 383776775 /nfs/dbraw/zinc/77/67/75/383776775.db2.gz IKVPKFZCXPMAKJ-HUUCEWRRSA-N 1 1 263.385 2.567 20 30 CFEDMO C=C[C@@H]1OCC[C@H]1CNc1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000645260308 383660834 /nfs/dbraw/zinc/66/08/34/383660834.db2.gz JXOWPLBKQRMNLY-RYUDHWBXSA-N 1 1 272.352 2.578 20 30 CFEDMO N#Cc1cccc(OCC[N@H+]2CCSC[C@H]2C2CC2)c1 ZINC000451645547 383673832 /nfs/dbraw/zinc/67/38/32/383673832.db2.gz FCBXOJLCTBOKKU-INIZCTEOSA-N 1 1 288.416 2.764 20 30 CFEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)[C@H](CO)c1ccccc1 ZINC000264947930 383806654 /nfs/dbraw/zinc/80/66/54/383806654.db2.gz AKRCYKNXQRHFRV-GOSISDBHSA-N 1 1 296.370 2.754 20 30 CFEDMO CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000265030883 383819173 /nfs/dbraw/zinc/81/91/73/383819173.db2.gz IHLKQHPNVQRNCE-MRXNPFEDSA-N 1 1 288.391 2.836 20 30 CFEDMO CC(C)[C@@H](C#N)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000264832644 383787999 /nfs/dbraw/zinc/78/79/99/383787999.db2.gz ZMMZWGDBIFECOV-DLBZAZTESA-N 1 1 299.418 2.563 20 30 CFEDMO N#CCc1ccc(C[N@@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000572544899 383792844 /nfs/dbraw/zinc/79/28/44/383792844.db2.gz XDNLGIOPHFJZIU-ZDUSSCGKSA-N 1 1 266.291 2.566 20 30 CFEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC2(C#N)CC2)C1 ZINC000572580420 383794888 /nfs/dbraw/zinc/79/48/88/383794888.db2.gz DMSHMRHZUZTGCR-HOCLYGCPSA-N 1 1 269.392 2.715 20 30 CFEDMO C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC2(C#N)CC2)C1 ZINC000572580420 383794894 /nfs/dbraw/zinc/79/48/94/383794894.db2.gz DMSHMRHZUZTGCR-HOCLYGCPSA-N 1 1 269.392 2.715 20 30 CFEDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cccc(C#N)c2)cc1 ZINC000264900071 383798477 /nfs/dbraw/zinc/79/84/77/383798477.db2.gz HSXSTSLHHIPURI-SFHVURJKSA-N 1 1 296.370 2.732 20 30 CFEDMO C=CCCOCCCCC(=O)N1C[C@@H](C)[N@@H+](CC)[C@@H](C)C1 ZINC000640607662 383841045 /nfs/dbraw/zinc/84/10/45/383841045.db2.gz UBJANAZCDSHOFS-IYBDPMFKSA-N 1 1 296.455 2.691 20 30 CFEDMO CC(C)(C)OC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000572981065 383853820 /nfs/dbraw/zinc/85/38/20/383853820.db2.gz IQTYSSFMWOWTJX-UHFFFAOYSA-N 1 1 273.380 2.733 20 30 CFEDMO C=CCC[N@H+](C)Cc1ccnn1-c1ccccc1OC ZINC000281028170 195074770 /nfs/dbraw/zinc/07/47/70/195074770.db2.gz FRFHZPMOBHXODC-UHFFFAOYSA-N 1 1 271.364 2.889 20 30 CFEDMO C=C(C)CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437778622 383909308 /nfs/dbraw/zinc/90/93/08/383909308.db2.gz VHVOGYWPRXPTNH-OAHLLOKOSA-N 1 1 279.428 2.659 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000573346553 383916259 /nfs/dbraw/zinc/91/62/59/383916259.db2.gz KDFHTMAVMMVMTP-LLVKDONJSA-N 1 1 295.745 2.891 20 30 CFEDMO C=CCCC[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000265467816 383923953 /nfs/dbraw/zinc/92/39/53/383923953.db2.gz OOKLFZDZRXDXIJ-UHFFFAOYSA-N 1 1 258.365 2.716 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000573219460 383896006 /nfs/dbraw/zinc/89/60/06/383896006.db2.gz CQJZVYBAWIGPPA-CQSZACIVSA-N 1 1 299.418 2.810 20 30 CFEDMO N#Cc1nnc2ccccc2c1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000265880959 384023375 /nfs/dbraw/zinc/02/33/75/384023375.db2.gz MPFVHKQIPXEYIL-HOCLYGCPSA-N 1 1 293.374 2.540 20 30 CFEDMO COC(=O)c1cc2cc(C[N@H+](C)C[C@H](C)C#N)ccc2o1 ZINC000265993659 384046231 /nfs/dbraw/zinc/04/62/31/384046231.db2.gz KODADKGTTXAMRN-LLVKDONJSA-N 1 1 286.331 2.811 20 30 CFEDMO COC(=O)c1cc2cc(C[N@@H+](C)C[C@H](C)C#N)ccc2o1 ZINC000265993659 384046236 /nfs/dbraw/zinc/04/62/36/384046236.db2.gz KODADKGTTXAMRN-LLVKDONJSA-N 1 1 286.331 2.811 20 30 CFEDMO C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000637321701 384027896 /nfs/dbraw/zinc/02/78/96/384027896.db2.gz JNWXHGMDGWCFAR-UONOGXRCSA-N 1 1 281.444 2.570 20 30 CFEDMO CC[C@@]1(CO)CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000439284067 384034234 /nfs/dbraw/zinc/03/42/34/384034234.db2.gz LLLMOFRTIWTGFJ-INIZCTEOSA-N 1 1 277.795 2.928 20 30 CFEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)C1CCOCC1 ZINC000532627917 384054140 /nfs/dbraw/zinc/05/41/40/384054140.db2.gz MDLNKXFFDHPKDV-UHFFFAOYSA-N 1 1 263.768 2.802 20 30 CFEDMO C=CCNC(=O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000440310632 384078562 /nfs/dbraw/zinc/07/85/62/384078562.db2.gz ATZWNGBEURWYOX-LJQANCHMSA-N 1 1 298.430 2.659 20 30 CFEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nc(C)cc(C)c2C#N)C1 ZINC000266213302 384117134 /nfs/dbraw/zinc/11/71/34/384117134.db2.gz NPYJZZRUBRJHCV-HNNXBMFYSA-N 1 1 286.423 2.738 20 30 CFEDMO C=CCCC(C)(C)CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000637624045 384140216 /nfs/dbraw/zinc/14/02/16/384140216.db2.gz SVJLNQQMBONHHG-CABCVRRESA-N 1 1 293.455 2.857 20 30 CFEDMO C=CCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000574888110 384159246 /nfs/dbraw/zinc/15/92/46/384159246.db2.gz NEJPUAXBCNIWAX-CABCVRRESA-N 1 1 281.444 2.714 20 30 CFEDMO CC(C)(CNc1cccc(Cl)c1C#N)[NH+]1CCOCC1 ZINC000266367171 384159411 /nfs/dbraw/zinc/15/94/11/384159411.db2.gz IBDXGEAVQBZXDC-UHFFFAOYSA-N 1 1 293.798 2.734 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000268689601 533049021 /nfs/dbraw/zinc/04/90/21/533049021.db2.gz GYCCPTOWQLSUNY-INIZCTEOSA-N 1 1 285.391 2.686 20 30 CFEDMO CC#CC[C@H](CO)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000641768490 384335172 /nfs/dbraw/zinc/33/51/72/384335172.db2.gz APDFQUZDQSBMJH-LLVKDONJSA-N 1 1 292.429 2.736 20 30 CFEDMO CC(C)[N@H+](CC(=O)NCc1ccc(C#N)cc1)CC1CCC1 ZINC000277624763 384357505 /nfs/dbraw/zinc/35/75/05/384357505.db2.gz ARRAYWLCQRCMIS-UHFFFAOYSA-N 1 1 299.418 2.685 20 30 CFEDMO CC[N@H+]1CCCC[C@@H]1CNc1snc(Cl)c1C#N ZINC000267553496 384413035 /nfs/dbraw/zinc/41/30/35/384413035.db2.gz YMJDLFFALFFAAK-SECBINFHSA-N 1 1 284.816 2.954 20 30 CFEDMO N#Cc1ccc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000267387666 384377213 /nfs/dbraw/zinc/37/72/13/384377213.db2.gz MXIUPFLFBWHWAL-KRWDZBQOSA-N 1 1 278.359 2.640 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000267399568 384380038 /nfs/dbraw/zinc/38/00/38/384380038.db2.gz ZEKFXAZBETUIPN-HNNXBMFYSA-N 1 1 276.424 2.842 20 30 CFEDMO CCC[C@]1(CO)CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000277719515 384384849 /nfs/dbraw/zinc/38/48/49/384384849.db2.gz JBTCURHLRVFTAX-QGZVFWFLSA-N 1 1 288.391 2.564 20 30 CFEDMO N#CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000267436427 384391026 /nfs/dbraw/zinc/39/10/26/384391026.db2.gz GERAKALPQQWWCC-NWDGAFQWSA-N 1 1 250.367 2.550 20 30 CFEDMO N#CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000267436427 384391030 /nfs/dbraw/zinc/39/10/30/384391030.db2.gz GERAKALPQQWWCC-NWDGAFQWSA-N 1 1 250.367 2.550 20 30 CFEDMO C=CC[NH+](CC=C)[C@@H](CNCc1ccc(CO)o1)C(C)C ZINC000267862883 384480734 /nfs/dbraw/zinc/48/07/34/384480734.db2.gz JFIYPBOAROZTHU-KRWDZBQOSA-N 1 1 292.423 2.560 20 30 CFEDMO C[C@@H]1C[C@H](Nc2c(C#N)nnc3ccccc32)C[N@H+]1C1CC1 ZINC000267867632 384481018 /nfs/dbraw/zinc/48/10/18/384481018.db2.gz KNKPFZHGLOFUMK-NEPJUHHUSA-N 1 1 293.374 2.539 20 30 CFEDMO C#CC[NH+]1CCC(c2nc(Cc3ccccc3C)no2)CC1 ZINC000278212753 384501282 /nfs/dbraw/zinc/50/12/82/384501282.db2.gz WHTJLLFCIGRQSE-UHFFFAOYSA-N 1 1 295.386 2.781 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278349153 384536849 /nfs/dbraw/zinc/53/68/49/384536849.db2.gz CZVBONCTORSFHJ-LBPRGKRZSA-N 1 1 250.317 2.640 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+](C)CCCCCO)cc1 ZINC000279461334 384645777 /nfs/dbraw/zinc/64/57/77/384645777.db2.gz RBFPVSGZCBTZEE-UHFFFAOYSA-N 1 1 275.392 2.683 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)cc1 ZINC000279699599 384726978 /nfs/dbraw/zinc/72/69/78/384726978.db2.gz QYHXBKWNWPXVHS-SFHVURJKSA-N 1 1 287.403 2.826 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)CCc2ccccc2)n1 ZINC000279703100 384729824 /nfs/dbraw/zinc/72/98/24/384729824.db2.gz JEQTUTGZSNHUKK-UHFFFAOYSA-N 1 1 267.376 2.581 20 30 CFEDMO CC[NH+](CC)[C@H](C)CN[C@@H](C)c1cccc(C#N)c1 ZINC000279926134 384815831 /nfs/dbraw/zinc/81/58/31/384815831.db2.gz ALILVBWLYOMZIP-KGLIPLIRSA-N 1 1 259.397 2.939 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H]2c3ccccc3CC[C@H]2C)nn1 ZINC000643902075 384787128 /nfs/dbraw/zinc/78/71/28/384787128.db2.gz WLFJSIKREUKTIL-CXAGYDPISA-N 1 1 282.391 2.877 20 30 CFEDMO N#Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000269608965 384801697 /nfs/dbraw/zinc/80/16/97/384801697.db2.gz DOUBYTYJTGRDOK-INIZCTEOSA-N 1 1 283.375 2.904 20 30 CFEDMO C#CCC[N@H+](Cc1ccccc1)CC1CCOCC1 ZINC000269841855 384879235 /nfs/dbraw/zinc/87/92/35/384879235.db2.gz FBICLNSBLXPGOI-UHFFFAOYSA-N 1 1 257.377 2.939 20 30 CFEDMO Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(C#N)cc1F ZINC000280274319 384954609 /nfs/dbraw/zinc/95/46/09/384954609.db2.gz YBEQDMIPMVYPMS-OAHLLOKOSA-N 1 1 284.338 2.598 20 30 CFEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC#N ZINC000270094045 384975371 /nfs/dbraw/zinc/97/53/71/384975371.db2.gz BAPCTXAVQOBCAU-AWEZNQCLSA-N 1 1 268.364 2.723 20 30 CFEDMO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCC#N ZINC000270094045 384975379 /nfs/dbraw/zinc/97/53/79/384975379.db2.gz BAPCTXAVQOBCAU-AWEZNQCLSA-N 1 1 268.364 2.723 20 30 CFEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCC#N ZINC000270094050 384975737 /nfs/dbraw/zinc/97/57/37/384975737.db2.gz BAPCTXAVQOBCAU-CQSZACIVSA-N 1 1 268.364 2.723 20 30 CFEDMO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCC#N ZINC000270094050 384975744 /nfs/dbraw/zinc/97/57/44/384975744.db2.gz BAPCTXAVQOBCAU-CQSZACIVSA-N 1 1 268.364 2.723 20 30 CFEDMO C=CCC[N@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000280334801 384978186 /nfs/dbraw/zinc/97/81/86/384978186.db2.gz HMIRGFTXHNUJBQ-NSHDSACASA-N 1 1 280.393 2.951 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000280334801 384978193 /nfs/dbraw/zinc/97/81/93/384978193.db2.gz HMIRGFTXHNUJBQ-NSHDSACASA-N 1 1 280.393 2.951 20 30 CFEDMO C#CC[N@H+](CCc1ccccn1)Cc1ccc(OC)cc1 ZINC000280335364 384979605 /nfs/dbraw/zinc/97/96/05/384979605.db2.gz HZUHPCNEBIFCAK-UHFFFAOYSA-N 1 1 280.371 2.768 20 30 CFEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(CC#N)cc2)C1 ZINC000270343735 385062907 /nfs/dbraw/zinc/06/29/07/385062907.db2.gz POFASPAIWUNHPW-INIZCTEOSA-N 1 1 299.418 2.557 20 30 CFEDMO CCC[N@H+](CCN1CCCC1)Cc1ccc(C#N)s1 ZINC000289216025 197266178 /nfs/dbraw/zinc/26/61/78/197266178.db2.gz CFYCGAMNEOAJKX-UHFFFAOYSA-N 1 1 277.437 2.928 20 30 CFEDMO CCC[N@@H+](CCN1CCCC1)Cc1ccc(C#N)s1 ZINC000289216025 197266180 /nfs/dbraw/zinc/26/61/80/197266180.db2.gz CFYCGAMNEOAJKX-UHFFFAOYSA-N 1 1 277.437 2.928 20 30 CFEDMO C=CC[N@@H+](CCc1ccco1)Cc1cnc(OC)s1 ZINC000638917179 385030437 /nfs/dbraw/zinc/03/04/37/385030437.db2.gz BEHUIXYDCDGHKG-UHFFFAOYSA-N 1 1 278.377 2.975 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc(OC)s1 ZINC000638917179 385030442 /nfs/dbraw/zinc/03/04/42/385030442.db2.gz BEHUIXYDCDGHKG-UHFFFAOYSA-N 1 1 278.377 2.975 20 30 CFEDMO C#Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000289231445 197270396 /nfs/dbraw/zinc/27/03/96/197270396.db2.gz KFSBKEVOZYYROR-ZWKOTPCHSA-N 1 1 268.404 2.584 20 30 CFEDMO C#Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000289231445 197270398 /nfs/dbraw/zinc/27/03/98/197270398.db2.gz KFSBKEVOZYYROR-ZWKOTPCHSA-N 1 1 268.404 2.584 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000270525252 385134460 /nfs/dbraw/zinc/13/44/60/385134460.db2.gz NLELSFDRMGESGO-CVEARBPZSA-N 1 1 261.340 2.737 20 30 CFEDMO C#CC[C@H](NC(=O)NCC[N@H+](CC)C1CC1)c1ccccc1 ZINC000270405075 385088971 /nfs/dbraw/zinc/08/89/71/385088971.db2.gz KHGZUACMBWTJNR-KRWDZBQOSA-N 1 1 299.418 2.535 20 30 CFEDMO C#CC[NH+]1CCC(c2nc([C@@H]3CCC(F)(F)C3)no2)CC1 ZINC000281258626 385186368 /nfs/dbraw/zinc/18/63/68/385186368.db2.gz FBUUCBJQKSIFAP-GFCCVEGCSA-N 1 1 295.333 2.785 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](CC)[C@H](C)Cc2ccsc2)C1=O ZINC000281414368 385193782 /nfs/dbraw/zinc/19/37/82/385193782.db2.gz RHPWBTYLPFNBIG-UKRRQHHQSA-N 1 1 292.448 2.788 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000645008236 385161438 /nfs/dbraw/zinc/16/14/38/385161438.db2.gz PSWIVNMFTDVPBY-IAGOWNOFSA-N 1 1 259.393 2.975 20 30 CFEDMO C=C(C)C[NH2+]Cc1snc(OC)c1Br ZINC000639089130 385170050 /nfs/dbraw/zinc/17/00/50/385170050.db2.gz NOGBBLAJLCWPGH-UHFFFAOYSA-N 1 1 277.187 2.580 20 30 CFEDMO COc1cc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)ccc1C#N ZINC000282220406 385251656 /nfs/dbraw/zinc/25/16/56/385251656.db2.gz 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2.824 20 30 CFEDMO C=CCCCC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000346242061 393924425 /nfs/dbraw/zinc/92/44/25/393924425.db2.gz RGKSRROHHKHFLL-QLFBSQMISA-N 1 1 264.413 2.531 20 30 CFEDMO CC[N@@H+](Cc1cccc(F)c1C#N)C[C@H](C)OC ZINC000428983216 393929930 /nfs/dbraw/zinc/92/99/30/393929930.db2.gz PNFQCXIRRRKONQ-NSHDSACASA-N 1 1 250.317 2.554 20 30 CFEDMO CC[N@H+](Cc1cccc(F)c1C#N)C[C@H](C)OC ZINC000428983216 393929933 /nfs/dbraw/zinc/92/99/33/393929933.db2.gz PNFQCXIRRRKONQ-NSHDSACASA-N 1 1 250.317 2.554 20 30 CFEDMO CC[C@@H](CO)[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000347353592 393939467 /nfs/dbraw/zinc/93/94/67/393939467.db2.gz FCLXIKHCCXKVKO-INIZCTEOSA-N 1 1 260.381 2.953 20 30 CFEDMO Cc1ccc2ncc(C#N)c(N(C)CC[N@@H+](C)C3CC3)c2c1 ZINC000487745512 394022001 /nfs/dbraw/zinc/02/20/01/394022001.db2.gz YROGIPVBVJLHRG-UHFFFAOYSA-N 1 1 294.402 2.945 20 30 CFEDMO C=C(C)C[N@H+](CCCOC)Cc1cnn(C(C)C)c1 ZINC000352939674 394022101 /nfs/dbraw/zinc/02/21/01/394022101.db2.gz AZWVNFSUNWAGBL-UHFFFAOYSA-N 1 1 265.401 2.879 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121250576 393953109 /nfs/dbraw/zinc/95/31/09/393953109.db2.gz XPTZEDLSUGRSGF-OAHLLOKOSA-N 1 1 295.386 2.801 20 30 CFEDMO C=CCOc1cccc(C[N@H+](C)[C@H]2CCCOC2)c1 ZINC000348713497 393957234 /nfs/dbraw/zinc/95/72/34/393957234.db2.gz LACPDNCVHGVGTQ-HNNXBMFYSA-N 1 1 261.365 2.862 20 30 CFEDMO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCCOC2)cc1OC ZINC000348719224 393957400 /nfs/dbraw/zinc/95/74/00/393957400.db2.gz ZMGLRKKQIWIDJX-HNNXBMFYSA-N 1 1 291.391 2.871 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000121640061 393957754 /nfs/dbraw/zinc/95/77/54/393957754.db2.gz YMJUNNPUMBUPGY-KGLIPLIRSA-N 1 1 283.412 2.510 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000121640061 393957757 /nfs/dbraw/zinc/95/77/57/393957757.db2.gz YMJUNNPUMBUPGY-KGLIPLIRSA-N 1 1 283.412 2.510 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1CCC ZINC000348812825 393959229 /nfs/dbraw/zinc/95/92/29/393959229.db2.gz WNWXJINVDUUSMB-OAHLLOKOSA-N 1 1 264.413 2.842 20 30 CFEDMO CO[C@@H](C)C[N@@H+](C)Cc1cccc(OCCCC#N)c1 ZINC000348832387 393959294 /nfs/dbraw/zinc/95/92/94/393959294.db2.gz IMMNPQXXWOXMQY-AWEZNQCLSA-N 1 1 276.380 2.836 20 30 CFEDMO C=C(C)CN(CC)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000348939754 393960497 /nfs/dbraw/zinc/96/04/97/393960497.db2.gz HSUNQOZRYDCZKO-UHFFFAOYSA-N 1 1 286.419 2.859 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@](F)(CO)C2)cc1 ZINC000349034975 393962032 /nfs/dbraw/zinc/96/20/32/393962032.db2.gz ONLYTBZZROVNFW-INIZCTEOSA-N 1 1 279.355 2.548 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@](F)(CO)C2)cc1 ZINC000349034975 393962038 /nfs/dbraw/zinc/96/20/38/393962038.db2.gz ONLYTBZZROVNFW-INIZCTEOSA-N 1 1 279.355 2.548 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CCC[C@](F)(CO)C2)cc1 ZINC000349034976 393962349 /nfs/dbraw/zinc/96/23/49/393962349.db2.gz ONLYTBZZROVNFW-MRXNPFEDSA-N 1 1 279.355 2.548 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@](F)(CO)C2)cc1 ZINC000349034976 393962352 /nfs/dbraw/zinc/96/23/52/393962352.db2.gz ONLYTBZZROVNFW-MRXNPFEDSA-N 1 1 279.355 2.548 20 30 CFEDMO C[C@@H]1C[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C(C)(C)C1 ZINC000350328216 393976498 /nfs/dbraw/zinc/97/64/98/393976498.db2.gz MVWSLHORKYRSCR-AWEZNQCLSA-N 1 1 291.439 2.792 20 30 CFEDMO CC(C)[C@@H]1CN(c2c(F)cc(C#N)cc2F)CC[N@@H+]1C ZINC000487083474 393983584 /nfs/dbraw/zinc/98/35/84/393983584.db2.gz HKAHVMIXLFKJKT-AWEZNQCLSA-N 1 1 279.334 2.613 20 30 CFEDMO CC(C)[C@@H]1CN(c2c(F)cc(C#N)cc2F)CC[N@H+]1C ZINC000487083474 393983587 /nfs/dbraw/zinc/98/35/87/393983587.db2.gz HKAHVMIXLFKJKT-AWEZNQCLSA-N 1 1 279.334 2.613 20 30 CFEDMO C[C@H](O)[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000267393737 393987267 /nfs/dbraw/zinc/98/72/67/393987267.db2.gz PDHLTPVIBYQTAZ-XJKSGUPXSA-N 1 1 277.795 2.927 20 30 CFEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1ncc(C#N)cc1Cl ZINC000268187779 393991060 /nfs/dbraw/zinc/99/10/60/393991060.db2.gz UZPLGTCZPRJLTR-TVQRCGJNSA-N 1 1 276.771 2.501 20 30 CFEDMO CC[N@@H+](CCCSCC#N)[C@H]1CCOC(C)(C)C1 ZINC000351919986 394008260 /nfs/dbraw/zinc/00/82/60/394008260.db2.gz VTWGXMJJPKLNTP-ZDUSSCGKSA-N 1 1 270.442 2.913 20 30 CFEDMO C=CCCC[C@H](C)[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000352037412 394010234 /nfs/dbraw/zinc/01/02/34/394010234.db2.gz UYSZDQUGJCVCNK-ARFHVFGLSA-N 1 1 266.429 2.526 20 30 CFEDMO C=C(C)CC[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000352122832 394011460 /nfs/dbraw/zinc/01/14/60/394011460.db2.gz IXXRYFMHDIQJCI-HNNXBMFYSA-N 1 1 258.365 2.516 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)c2ccccc2F)C1=O ZINC000281956536 394100967 /nfs/dbraw/zinc/10/09/67/394100967.db2.gz KBJKMKQCNCBTGS-DOMZBBRYSA-N 1 1 276.355 2.605 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2ccccc2F)C1=O ZINC000281956536 394100969 /nfs/dbraw/zinc/10/09/69/394100969.db2.gz KBJKMKQCNCBTGS-DOMZBBRYSA-N 1 1 276.355 2.605 20 30 CFEDMO C#CCN(C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000491425794 394051012 /nfs/dbraw/zinc/05/10/12/394051012.db2.gz CMTNFQVLDIWWGM-HNNXBMFYSA-N 1 1 299.418 2.585 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000355261520 394061261 /nfs/dbraw/zinc/06/12/61/394061261.db2.gz CVSSFHIHOSZORP-HUUCEWRRSA-N 1 1 266.429 2.922 20 30 CFEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000492675152 394074260 /nfs/dbraw/zinc/07/42/60/394074260.db2.gz PLVSSUVSWCHQHI-CYBMUJFWSA-N 1 1 295.427 2.915 20 30 CFEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000438502841 394079278 /nfs/dbraw/zinc/07/92/78/394079278.db2.gz PXSFKPHLSQRQOW-HZPDHXFCSA-N 1 1 286.375 2.750 20 30 CFEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(C)C)C1 ZINC000438502841 394079281 /nfs/dbraw/zinc/07/92/81/394079281.db2.gz PXSFKPHLSQRQOW-HZPDHXFCSA-N 1 1 286.375 2.750 20 30 CFEDMO Cc1nc(N2CC[NH+](Cc3cccs3)CC2)ccc1C#N ZINC000487902077 394029223 /nfs/dbraw/zinc/02/92/23/394029223.db2.gz ZERYIKGRCKGZRJ-UHFFFAOYSA-N 1 1 298.415 2.645 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](Cc2ccccc2F)C(C)C)C1=O ZINC000282039615 394114718 /nfs/dbraw/zinc/11/47/18/394114718.db2.gz QVWLJJJMXWKCDJ-INIZCTEOSA-N 1 1 290.382 2.823 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](Cc2ccccc2F)C(C)C)C1=O ZINC000282039615 394114722 /nfs/dbraw/zinc/11/47/22/394114722.db2.gz QVWLJJJMXWKCDJ-INIZCTEOSA-N 1 1 290.382 2.823 20 30 CFEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@@H]1CO ZINC000439431833 394115744 /nfs/dbraw/zinc/11/57/44/394115744.db2.gz RTYMFSYSDGFTQB-IAQYHMDHSA-N 1 1 278.783 2.804 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](CC)c2ccc(F)cc2)C1=O ZINC000282084464 394120755 /nfs/dbraw/zinc/12/07/55/394120755.db2.gz UVXKIHWJEPJZHT-CVEARBPZSA-N 1 1 290.382 2.996 20 30 CFEDMO C=CCCCC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000359191686 394126670 /nfs/dbraw/zinc/12/66/70/394126670.db2.gz JAMTWCDDSNHOLL-OKILXGFUSA-N 1 1 252.402 2.722 20 30 CFEDMO C=CCC1(C(=O)NC[C@H]2CCC[N@H+](CC)C2)CCC1 ZINC000359440098 394134096 /nfs/dbraw/zinc/13/40/96/394134096.db2.gz PAKFIZXHDMCPAV-CQSZACIVSA-N 1 1 264.413 2.581 20 30 CFEDMO OC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1cccc(F)c1 ZINC000359521514 394137008 /nfs/dbraw/zinc/13/70/08/394137008.db2.gz NBSYQGPTWQVNCV-QGZVFWFLSA-N 1 1 287.309 2.640 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000359556541 394138008 /nfs/dbraw/zinc/13/80/08/394138008.db2.gz MDDNSRSBOFWOJS-HYVNUMGLSA-N 1 1 291.439 2.553 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1(C#N)CC1 ZINC000360338634 394148928 /nfs/dbraw/zinc/14/89/28/394148928.db2.gz QTUFWHSVOIOEGP-DOTOQJQBSA-N 1 1 283.419 2.790 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCC#N ZINC000360391889 394150998 /nfs/dbraw/zinc/15/09/98/394150998.db2.gz HKIMSIMVBKFYCE-JKSUJKDBSA-N 1 1 299.418 2.802 20 30 CFEDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000361066044 394163930 /nfs/dbraw/zinc/16/39/30/394163930.db2.gz MSJIUXLKWKHTRU-INIZCTEOSA-N 1 1 288.391 2.714 20 30 CFEDMO CC(C)COC(=O)N1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000493159271 394164450 /nfs/dbraw/zinc/16/44/50/394164450.db2.gz TWTAXDFXAMFHCN-UHFFFAOYSA-N 1 1 295.427 2.727 20 30 CFEDMO CC[C@](C)(C#N)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000285910713 394165179 /nfs/dbraw/zinc/16/51/79/394165179.db2.gz VXIAASQIOCUSCX-WMLDXEAASA-N 1 1 287.407 2.563 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](CCO)CC2)c1 ZINC000421044640 394169161 /nfs/dbraw/zinc/16/91/61/394169161.db2.gz SUEDULNHQNMNGG-CQSZACIVSA-N 1 1 258.365 2.543 20 30 CFEDMO C=CC[NH+]1CCC(N[C@H]2CCCc3cccnc32)CC1 ZINC000684954556 542876805 /nfs/dbraw/zinc/87/68/05/542876805.db2.gz ASGLKJDVBCPIGI-INIZCTEOSA-N 1 1 271.408 2.699 20 30 CFEDMO CC(C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C#N)c2)C1 ZINC000134980395 394207659 /nfs/dbraw/zinc/20/76/59/394207659.db2.gz MLVSAAQYMYWBLQ-DZGCQCFKSA-N 1 1 285.391 2.863 20 30 CFEDMO CC[C@@H]1C[N@@H+](CCOc2ccccc2C#N)CCS1 ZINC000135429290 394219610 /nfs/dbraw/zinc/21/96/10/394219610.db2.gz RLMKOKKZGZTOFJ-CQSZACIVSA-N 1 1 276.405 2.764 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000289660292 394221154 /nfs/dbraw/zinc/22/11/54/394221154.db2.gz YMPVRRXTBBUNNR-IRXDYDNUSA-N 1 1 255.361 2.811 20 30 CFEDMO COc1cc(C)nc(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000421353336 394196597 /nfs/dbraw/zinc/19/65/97/394196597.db2.gz PGVODTQQCIGRNN-UHFFFAOYSA-N 1 1 273.361 2.622 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000151349361 394261869 /nfs/dbraw/zinc/26/18/69/394261869.db2.gz ZQFUNGHIXRWKQB-NSHDSACASA-N 1 1 267.319 2.650 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000151349361 394261873 /nfs/dbraw/zinc/26/18/73/394261873.db2.gz ZQFUNGHIXRWKQB-NSHDSACASA-N 1 1 267.319 2.650 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000151349424 394262040 /nfs/dbraw/zinc/26/20/40/394262040.db2.gz ZQFUNGHIXRWKQB-LLVKDONJSA-N 1 1 267.319 2.650 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000151349424 394262042 /nfs/dbraw/zinc/26/20/42/394262042.db2.gz ZQFUNGHIXRWKQB-LLVKDONJSA-N 1 1 267.319 2.650 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C1CCC(CO)CC1 ZINC000156259318 394331296 /nfs/dbraw/zinc/33/12/96/394331296.db2.gz XUTPDIGHHYOVNI-UHFFFAOYSA-N 1 1 276.355 2.680 20 30 CFEDMO CC(C)[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000292483405 394274329 /nfs/dbraw/zinc/27/43/29/394274329.db2.gz ATEDPRHLCWYYGZ-INIZCTEOSA-N 1 1 260.381 2.786 20 30 CFEDMO CC(C)[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000292481360 394274356 /nfs/dbraw/zinc/27/43/56/394274356.db2.gz ALOVTKGOWLTRTC-MRXNPFEDSA-N 1 1 258.365 2.540 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](CO)[C@H]2CC)cc1 ZINC000449420164 394276981 /nfs/dbraw/zinc/27/69/81/394276981.db2.gz IUMSVKCVLICAKP-NVXWUHKLSA-N 1 1 275.392 2.844 20 30 CFEDMO CC[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000423359086 394279047 /nfs/dbraw/zinc/27/90/47/394279047.db2.gz KCHYFGCLKOBVCV-VBNZEHGJSA-N 1 1 257.381 2.597 20 30 CFEDMO CC(C)C[N@H+]1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000369693965 394281684 /nfs/dbraw/zinc/28/16/84/394281684.db2.gz BBGKCYYEBNHFNI-UHFFFAOYSA-N 1 1 298.843 2.836 20 30 CFEDMO N#Cc1cccc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1[N+](=O)[O-] ZINC000450309008 394289144 /nfs/dbraw/zinc/28/91/44/394289144.db2.gz QBMWNVSMEDDTLO-GFCCVEGCSA-N 1 1 297.318 2.574 20 30 CFEDMO C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C#N)cc1 ZINC000154319630 394296680 /nfs/dbraw/zinc/29/66/80/394296680.db2.gz XBXAMWVBRSKKGI-WWGRRREGSA-N 1 1 257.381 2.692 20 30 CFEDMO CC#CCC[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000155955452 394326630 /nfs/dbraw/zinc/32/66/30/394326630.db2.gz ZOXJDKOCNGEFFE-QGZVFWFLSA-N 1 1 259.393 2.919 20 30 CFEDMO N#Cc1ccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)s1 ZINC000157919840 394351964 /nfs/dbraw/zinc/35/19/64/394351964.db2.gz NZANIMYFZYGXRN-UHFFFAOYSA-N 1 1 299.399 2.648 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451214893 394369189 /nfs/dbraw/zinc/36/91/89/394369189.db2.gz IZCHJQGSZQAVGJ-CQSZACIVSA-N 1 1 293.455 2.930 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@]1(C)CC(C)C ZINC000451292380 394374477 /nfs/dbraw/zinc/37/44/77/394374477.db2.gz 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ZINC000535961931 394550331 /nfs/dbraw/zinc/55/03/31/394550331.db2.gz CINPWYORYNXSGA-CHWSQXEVSA-N 1 1 286.375 2.965 20 30 CFEDMO CCCC[N@@H+](CC)Cc1cccc(C(=O)OC)c1C#N ZINC000535977056 394550392 /nfs/dbraw/zinc/55/03/92/394550392.db2.gz CUUVCILMBIJTTO-UHFFFAOYSA-N 1 1 274.364 2.967 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000546588971 394829932 /nfs/dbraw/zinc/82/99/32/394829932.db2.gz KERPIMKQYJBBRD-CJNGLKHVSA-N 1 1 280.375 2.842 20 30 CFEDMO C[C@@H]1C[C@H](C)[N@@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000548096923 394909553 /nfs/dbraw/zinc/90/95/53/394909553.db2.gz VNKCXQRTTSCMLW-DVOMOZLQSA-N 1 1 283.375 2.536 20 30 CFEDMO N#Cc1cnccc1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000548152916 394915260 /nfs/dbraw/zinc/91/52/60/394915260.db2.gz MZNAVNWCOVVPJQ-QGZVFWFLSA-N 1 1 298.434 2.832 20 30 CFEDMO CC(C)[N@@H+](C)CC1CCN(Cc2nc(C#N)cs2)CC1 ZINC000558566509 395064597 /nfs/dbraw/zinc/06/45/97/395064597.db2.gz IHTAQGPIGNTSJY-UHFFFAOYSA-N 1 1 292.452 2.567 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](OC(F)F)C1 ZINC000558867303 395078024 /nfs/dbraw/zinc/07/80/24/395078024.db2.gz LRPTXGNWGVPVRY-MFKMUULPSA-N 1 1 266.291 2.933 20 30 CFEDMO N#Cc1cc(NC[C@H]2CCC[N@H+]2C2CCCCC2)ccn1 ZINC000557671065 395043835 /nfs/dbraw/zinc/04/38/35/395043835.db2.gz LANCWAYQMCBUMM-QGZVFWFLSA-N 1 1 284.407 2.584 20 30 CFEDMO C=C(C)COc1cccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000648765163 395301609 /nfs/dbraw/zinc/30/16/09/395301609.db2.gz WLZODZODSXDBQZ-CZUORRHYSA-N 1 1 288.391 2.920 20 30 CFEDMO C=CCOc1ccccc1CN1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647499119 395363678 /nfs/dbraw/zinc/36/36/78/395363678.db2.gz ZVFBUGFSQITCIQ-HOCLYGCPSA-N 1 1 274.408 2.811 20 30 CFEDMO C=C[C@@H]1CCCCN1C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648883449 395350532 /nfs/dbraw/zinc/35/05/32/395350532.db2.gz GPJLEOPATAOPCY-UONOGXRCSA-N 1 1 275.396 2.964 20 30 CFEDMO C=C[C@H](CC(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1ccccc1 ZINC000649364517 395478298 /nfs/dbraw/zinc/47/82/98/395478298.db2.gz 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CFEDMO COCC[C@H]1CCCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000356442442 155267346 /nfs/dbraw/zinc/26/73/46/155267346.db2.gz UGFZMYVQCDWBFY-GFCCVEGCSA-N 1 1 279.409 2.653 20 30 CFEDMO COCC[C@H]1CCCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000356442442 155267351 /nfs/dbraw/zinc/26/73/51/155267351.db2.gz UGFZMYVQCDWBFY-GFCCVEGCSA-N 1 1 279.409 2.653 20 30 CFEDMO C=CC[N@@H+](C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000660327244 413245025 /nfs/dbraw/zinc/24/50/25/413245025.db2.gz AYWTVFOGGVMZOR-ZDUSSCGKSA-N 1 1 262.378 2.607 20 30 CFEDMO COc1ccc(C#N)cc1C[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000347226113 286270740 /nfs/dbraw/zinc/27/07/40/286270740.db2.gz MDQBXSRMGWGKSG-ZDUSSCGKSA-N 1 1 288.391 2.692 20 30 CFEDMO CC[N@H+]1CCN(c2ccc(C#N)c(Cl)c2)[C@@H](C)C1 ZINC000343262034 154159434 /nfs/dbraw/zinc/15/94/34/154159434.db2.gz GGRYTVMSHBCSGW-NSHDSACASA-N 1 1 263.772 2.742 20 30 CFEDMO C[C@H](CNCc1ccc(C#N)s1)[N@@H+]1CCCC[C@@H]1C ZINC000343281404 154165779 /nfs/dbraw/zinc/16/57/79/154165779.db2.gz CKEONMVQCCWZNJ-QWHCGFSZSA-N 1 1 277.437 2.972 20 30 CFEDMO C[C@H](CNCc1ccc(C#N)s1)[N@H+]1CCCC[C@@H]1C ZINC000343281404 154165781 /nfs/dbraw/zinc/16/57/81/154165781.db2.gz CKEONMVQCCWZNJ-QWHCGFSZSA-N 1 1 277.437 2.972 20 30 CFEDMO CCCNc1ccc(C#N)cc1NC(=O)C[N@@H+](C)CCC ZINC000345756225 154259890 /nfs/dbraw/zinc/25/98/90/154259890.db2.gz AFCFBUHBWWJYLH-UHFFFAOYSA-N 1 1 288.395 2.660 20 30 CFEDMO C=CC[C@H](CC)NC(=O)NCCC[N@@H+](C)CC(C)C ZINC000651077202 413292923 /nfs/dbraw/zinc/29/29/23/413292923.db2.gz FBCWILONKITOSH-AWEZNQCLSA-N 1 1 269.433 2.618 20 30 CFEDMO COc1ccc(C[N@@H+](C)Cc2cnccc2C)cc1C#N ZINC000355584930 155046063 /nfs/dbraw/zinc/04/60/63/155046063.db2.gz QKKCKROVGSHGIO-UHFFFAOYSA-N 1 1 281.359 2.902 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CCCC(=O)NCC(C)C ZINC000660428506 413312558 /nfs/dbraw/zinc/31/25/58/413312558.db2.gz DHKHIGZVHGSGJM-CQSZACIVSA-N 1 1 252.402 2.579 20 30 CFEDMO C=CCCC(C)(C)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000663684635 413316905 /nfs/dbraw/zinc/31/69/05/413316905.db2.gz 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OTPZGSCPAURIPV-ZBFHGGJFSA-N 1 1 299.418 2.705 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1ccccc1-c1ccnn1C ZINC000353206146 263117244 /nfs/dbraw/zinc/11/72/44/263117244.db2.gz MQQGNQBSNGXSJL-UHFFFAOYSA-N 1 1 285.391 2.722 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291732629 263125128 /nfs/dbraw/zinc/12/51/28/263125128.db2.gz JPJYJJWDFJRWRT-GOSISDBHSA-N 1 1 286.419 2.952 20 30 CFEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1(CO)CCC1 ZINC000292052104 263127519 /nfs/dbraw/zinc/12/75/19/263127519.db2.gz BPVDREVGSKCGHS-UHFFFAOYSA-N 1 1 272.392 2.835 20 30 CFEDMO C=CCOc1ccccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414926912 263132268 /nfs/dbraw/zinc/13/22/68/263132268.db2.gz OFAKBLXKBWMNDF-HUUCEWRRSA-N 1 1 260.381 2.611 20 30 CFEDMO COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000292693536 263133780 /nfs/dbraw/zinc/13/37/80/263133780.db2.gz CSNOOVTYCWVIPT-DZGCQCFKSA-N 1 1 272.348 2.597 20 30 CFEDMO COC(=O)c1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000292693541 263133814 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/nfs/dbraw/zinc/33/36/26/274333626.db2.gz GNGUQUXGQURSRE-LLVKDONJSA-N 1 1 297.324 2.713 20 30 CFEDMO C[C@@H]1CN(c2ccc(Cl)cc2C#N)C[C@H](C)[N@@H+]1C ZINC000135267096 274363566 /nfs/dbraw/zinc/36/35/66/274363566.db2.gz ATXDNHSYUJAYBF-PHIMTYICSA-N 1 1 263.772 2.740 20 30 CFEDMO C#Cc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000290095063 275388001 /nfs/dbraw/zinc/38/80/01/275388001.db2.gz MZBQXNWNJJWVTL-HNNXBMFYSA-N 1 1 251.333 2.558 20 30 CFEDMO CCC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000295537974 276287576 /nfs/dbraw/zinc/28/75/76/276287576.db2.gz OBOFVYJBSIWPOX-INIZCTEOSA-N 1 1 258.365 2.684 20 30 CFEDMO CC(=O)NCC[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000347629997 277034375 /nfs/dbraw/zinc/03/43/75/277034375.db2.gz ASOZWCHFMSONFG-WMLDXEAASA-N 1 1 299.418 2.857 20 30 CFEDMO C[N@H+]1CCC[C@@H]2CN(c3c(F)cc(C#N)cc3F)CC[C@H]21 ZINC000227272383 277069801 /nfs/dbraw/zinc/06/98/01/277069801.db2.gz GFOUVUCFCALXDL-IUODEOHRSA-N 1 1 291.345 2.757 20 30 CFEDMO C[N@H+]1CCC[C@@H]2CN(c3cccc(F)c3C#N)CC[C@@H]21 ZINC000129094598 277070208 /nfs/dbraw/zinc/07/02/08/277070208.db2.gz HOAAKUYJRMXCSV-DOMZBBRYSA-N 1 1 273.355 2.618 20 30 CFEDMO COC[C@]1(C)CC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000296854181 277269104 /nfs/dbraw/zinc/26/91/04/277269104.db2.gz TXJACJYMJNCJKO-XJKSGUPXSA-N 1 1 258.365 2.978 20 30 CFEDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)C[C@H]1C1CC1 ZINC000353144541 277364643 /nfs/dbraw/zinc/36/46/43/277364643.db2.gz VEIMGAKCIKKBAH-OAUYIBNBSA-N 1 1 298.386 2.750 20 30 CFEDMO CSC[C@@H]1CCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459352763 278136177 /nfs/dbraw/zinc/13/61/77/278136177.db2.gz SBIYISMTFMRGRW-LBPRGKRZSA-N 1 1 291.376 2.794 20 30 CFEDMO CSC[C@@H]1CCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459352763 278136180 /nfs/dbraw/zinc/13/61/80/278136180.db2.gz SBIYISMTFMRGRW-LBPRGKRZSA-N 1 1 291.376 2.794 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000378462597 278306179 /nfs/dbraw/zinc/30/61/79/278306179.db2.gz YLSBXMNXGNCQCG-KBRIMQKVSA-N 1 1 269.392 2.645 20 30 CFEDMO C[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1cccc(C#N)c1 ZINC000423515270 278366485 /nfs/dbraw/zinc/36/64/85/278366485.db2.gz XGVOGYJBHLRDEQ-WBMJQRKESA-N 1 1 257.381 2.726 20 30 CFEDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ncc(C#N)cn1 ZINC000331925393 279009934 /nfs/dbraw/zinc/00/99/34/279009934.db2.gz HXFVGHTVNBMXAM-MRVWCRGKSA-N 1 1 256.353 2.501 20 30 CFEDMO C[C@H](C(=O)N1CCCCCC1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528535 279190606 /nfs/dbraw/zinc/19/06/06/279190606.db2.gz GFPOBBVZJWQHHB-OAHLLOKOSA-N 1 1 299.418 2.781 20 30 CFEDMO C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528535 279190611 /nfs/dbraw/zinc/19/06/11/279190611.db2.gz GFPOBBVZJWQHHB-OAHLLOKOSA-N 1 1 299.418 2.781 20 30 CFEDMO CC[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC(C)C ZINC000459298724 279233426 /nfs/dbraw/zinc/23/34/26/279233426.db2.gz KGBGBCPRCJDHGR-UHFFFAOYSA-N 1 1 261.325 2.944 20 30 CFEDMO CC[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC(C)C ZINC000459298724 279233427 /nfs/dbraw/zinc/23/34/27/279233427.db2.gz KGBGBCPRCJDHGR-UHFFFAOYSA-N 1 1 261.325 2.944 20 30 CFEDMO C[C@H](CO)[N@@H+](CCCC1(C#N)CCOCC1)C1CCCC1 ZINC000347175674 279357503 /nfs/dbraw/zinc/35/75/03/279357503.db2.gz VFEAGOCYUNHSJX-OAHLLOKOSA-N 1 1 294.439 2.712 20 30 CFEDMO C[C@H]([N@@H+](C)C[C@H](O)c1ccc(C#N)cc1)C1(C)CC1 ZINC000156681580 279391234 /nfs/dbraw/zinc/39/12/34/279391234.db2.gz UDRURFSNXNZFCY-WFASDCNBSA-N 1 1 258.365 2.712 20 30 CFEDMO C[C@H]1[N@@H+](CC#Cc2ccccc2)CCC12CCOCC2 ZINC000336620760 280037335 /nfs/dbraw/zinc/03/73/35/280037335.db2.gz CIXWOBPLQJIVRH-MRXNPFEDSA-N 1 1 269.388 2.929 20 30 CFEDMO Cc1cc(C)c(C#N)c(N2CCC3(CCC[N@@H+]3C)CC2)n1 ZINC000364639220 280380326 /nfs/dbraw/zinc/38/03/26/280380326.db2.gz UEEHLZSCRDIBGY-UHFFFAOYSA-N 1 1 284.407 2.635 20 30 CFEDMO CC(C)[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000252741113 281078106 /nfs/dbraw/zinc/07/81/06/281078106.db2.gz HYXMBPGFBRSAFU-HIFRSBDPSA-N 1 1 285.391 2.863 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCCC[C@H]1O ZINC000252922986 281078974 /nfs/dbraw/zinc/07/89/74/281078974.db2.gz JEUOQDXPTUCHSM-HUUCEWRRSA-N 1 1 278.783 2.947 20 30 CFEDMO C[N@@H+]1CCN(c2ncc(C#N)cc2F)[C@H](c2ccccc2)C1 ZINC000413028731 290059170 /nfs/dbraw/zinc/05/91/70/290059170.db2.gz DTMDGBFHYCCGOU-INIZCTEOSA-N 1 1 296.349 2.585 20 30 CFEDMO C[N@H+]1CCN(c2ncc(C#N)cc2F)[C@H](c2ccccc2)C1 ZINC000413028731 290059172 /nfs/dbraw/zinc/05/91/72/290059172.db2.gz DTMDGBFHYCCGOU-INIZCTEOSA-N 1 1 296.349 2.585 20 30 CFEDMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2ncc3c(c2C#N)CCC3)C1 ZINC000563018459 290093998 /nfs/dbraw/zinc/09/39/98/290093998.db2.gz IBLHCTZAVHZDKG-BLLLJJGKSA-N 1 1 284.407 2.583 20 30 CFEDMO CC(C)([NH2+]Cc1ccc(C#N)cn1)c1ccccc1[N+](=O)[O-] ZINC000564343912 290204926 /nfs/dbraw/zinc/20/49/26/290204926.db2.gz LZVKUBOGSNNYJH-UHFFFAOYSA-N 1 1 296.330 2.886 20 30 CFEDMO Cc1cc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C#N)cn1 ZINC000564877041 290244829 /nfs/dbraw/zinc/24/48/29/290244829.db2.gz KOYJAGXDJOAPQD-GJZGRUSLSA-N 1 1 298.434 2.749 20 30 CFEDMO COc1ccccc1C(C)(C)[NH2+]Cc1ccc(C#N)cn1 ZINC000565431373 290301445 /nfs/dbraw/zinc/30/14/45/290301445.db2.gz SPOFDEPPCNCCNO-UHFFFAOYSA-N 1 1 281.359 2.987 20 30 CFEDMO Cc1nc(C2(NC(=O)[C@H]3CCC[N@H+]3C)CCCCC2)no1 ZINC000329304183 293250560 /nfs/dbraw/zinc/25/05/60/293250560.db2.gz XTLXPJQPHIGGMF-GFCCVEGCSA-N 1 1 292.383 2.588 20 30 CFEDMO Cc1nc(C2(NC(=O)[C@H]3CCC[N@@H+]3C)CCCCC2)no1 ZINC000329304183 293250565 /nfs/dbraw/zinc/25/05/65/293250565.db2.gz XTLXPJQPHIGGMF-GFCCVEGCSA-N 1 1 292.383 2.588 20 30 CFEDMO Cn1cc(C[N@H+]2CCSC[C@@H]2C2CCC2)cc1C#N ZINC000334952639 294237706 /nfs/dbraw/zinc/23/77/06/294237706.db2.gz SFQYIBPAHCMKFD-OAHLLOKOSA-N 1 1 275.421 2.614 20 30 CFEDMO C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC(=O)NC23CCC3)CC[N@H+]1C ZINC000329742050 300395503 /nfs/dbraw/zinc/39/55/03/300395503.db2.gz WHIWAXFNLNWUGK-RWMBFGLXSA-N 1 1 293.411 2.715 20 30 CFEDMO N#Cc1ccc(N2CCC[C@H]([N@H+]3CCC34CCC4)C2=O)cc1 ZINC000334571254 303193443 /nfs/dbraw/zinc/19/34/43/303193443.db2.gz HBYFVUDWLCGBHG-INIZCTEOSA-N 1 1 295.386 2.682 20 30 CFEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc(C#N)cc1 ZINC000030532516 328793853 /nfs/dbraw/zinc/79/38/53/328793853.db2.gz CYLHGQQSNAXKEO-GXTWGEPZSA-N 1 1 252.321 2.652 20 30 CFEDMO C#CCCOc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000373897398 328003265 /nfs/dbraw/zinc/00/32/65/328003265.db2.gz KPKDRDOBGZEIPI-FUHWJXTLSA-N 1 1 285.387 2.700 20 30 CFEDMO CC[C@H](CC#N)NC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000339352630 328008464 /nfs/dbraw/zinc/00/84/64/328008464.db2.gz PKMNLQXEBFVYEV-HZPDHXFCSA-N 1 1 287.407 2.705 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000531616382 328019145 /nfs/dbraw/zinc/01/91/45/328019145.db2.gz QVMWUPPEKFVXBV-LSDHHAIUSA-N 1 1 297.439 2.757 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1nccc(N)n1 ZINC000563353685 328057441 /nfs/dbraw/zinc/05/74/41/328057441.db2.gz FKOWEZDVXPHGKZ-AWEZNQCLSA-N 1 1 282.391 2.681 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1nccc(N)n1 ZINC000563353685 328057442 /nfs/dbraw/zinc/05/74/42/328057442.db2.gz FKOWEZDVXPHGKZ-AWEZNQCLSA-N 1 1 282.391 2.681 20 30 CFEDMO C=CCC1(C(=O)N2[C@@H]3CC[C@H]2CC[N@H+](C)C3)CCCC1 ZINC000563397773 328061982 /nfs/dbraw/zinc/06/19/82/328061982.db2.gz VVLBMAMTJVHTFL-LSDHHAIUSA-N 1 1 276.424 2.818 20 30 CFEDMO CO[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411233982 328080400 /nfs/dbraw/zinc/08/04/00/328080400.db2.gz XOPLIUVCMAKWHX-AWEZNQCLSA-N 1 1 250.386 2.961 20 30 CFEDMO C[C@H](CCC#N)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000411663741 328098010 /nfs/dbraw/zinc/09/80/10/328098010.db2.gz ZFLDZBHUEVAVGW-NXHRZFHOSA-N 1 1 283.419 2.742 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000411663741 328098015 /nfs/dbraw/zinc/09/80/15/328098015.db2.gz ZFLDZBHUEVAVGW-NXHRZFHOSA-N 1 1 283.419 2.742 20 30 CFEDMO C[C@H](CCC#N)[N@@H+]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1 ZINC000411663741 328098016 /nfs/dbraw/zinc/09/80/16/328098016.db2.gz ZFLDZBHUEVAVGW-NXHRZFHOSA-N 1 1 283.419 2.742 20 30 CFEDMO CC#CC[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000412059875 328101852 /nfs/dbraw/zinc/10/18/52/328101852.db2.gz DHIMAZHDIWXTTA-AWEZNQCLSA-N 1 1 265.397 2.844 20 30 CFEDMO C[C@@H]1[C@@H](CO)CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000412083415 328103293 /nfs/dbraw/zinc/10/32/93/328103293.db2.gz NAYQAICAEZCHDB-UKRRQHHQSA-N 1 1 277.795 2.784 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412316384 328108464 /nfs/dbraw/zinc/10/84/64/328108464.db2.gz MUWHDIGRIAENHR-KRWDZBQOSA-N 1 1 278.440 2.923 20 30 CFEDMO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000267017215 328171448 /nfs/dbraw/zinc/17/14/48/328171448.db2.gz PGCYDTUEMMDXHK-UHFFFAOYSA-N 1 1 281.287 2.713 20 30 CFEDMO C[C@H](C#N)C[N@@H+](C)Cc1cc(Br)ccc1O ZINC000271137989 328195262 /nfs/dbraw/zinc/19/52/62/328195262.db2.gz SWDHQPFDOILKBF-SECBINFHSA-N 1 1 283.169 2.746 20 30 CFEDMO N#CC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000274778386 328213350 /nfs/dbraw/zinc/21/33/50/328213350.db2.gz CYWHBADRCGIINO-UHFFFAOYSA-N 1 1 266.142 2.584 20 30 CFEDMO C[C@H](CCC#N)[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000276351410 328217930 /nfs/dbraw/zinc/21/79/30/328217930.db2.gz WNKZFMDHHWMYDV-GFCCVEGCSA-N 1 1 278.787 2.549 20 30 CFEDMO CC(C)(C#N)CC(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000278202415 328224652 /nfs/dbraw/zinc/22/46/52/328224652.db2.gz FXQOCYVQVWJOLU-OAHLLOKOSA-N 1 1 297.402 2.937 20 30 CFEDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000278535736 328226674 /nfs/dbraw/zinc/22/66/74/328226674.db2.gz FRZUYNMFZQQMCY-GJZGRUSLSA-N 1 1 285.391 2.866 20 30 CFEDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000278535736 328226675 /nfs/dbraw/zinc/22/66/75/328226675.db2.gz FRZUYNMFZQQMCY-GJZGRUSLSA-N 1 1 285.391 2.866 20 30 CFEDMO N#Cc1ccccc1N1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000278757721 328230124 /nfs/dbraw/zinc/23/01/24/328230124.db2.gz XPTKHPALLGMNRE-RDJZCZTQSA-N 1 1 294.402 2.763 20 30 CFEDMO C=C(C)C[N@@H+](C)Cc1ccc(C(=O)OC)cc1F ZINC000181324380 329231374 /nfs/dbraw/zinc/23/13/74/329231374.db2.gz HZDWQJOSRFWCHN-UHFFFAOYSA-N 1 1 251.301 2.620 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1ccc(C(=O)OC)cc1F ZINC000181324380 329231376 /nfs/dbraw/zinc/23/13/76/329231376.db2.gz HZDWQJOSRFWCHN-UHFFFAOYSA-N 1 1 251.301 2.620 20 30 CFEDMO CC(C)(CCC#N)C[NH+]1CC(O)(c2ccccc2)C1 ZINC000291565150 328265258 /nfs/dbraw/zinc/26/52/58/328265258.db2.gz NKRBNNCCXSIOIS-UHFFFAOYSA-N 1 1 258.365 2.520 20 30 CFEDMO N#CCCOCC[N@H+]1CCC[C@H]1c1cccs1 ZINC000293525644 328276424 /nfs/dbraw/zinc/27/64/24/328276424.db2.gz PCBWXASHVWPEQV-LBPRGKRZSA-N 1 1 250.367 2.815 20 30 CFEDMO CCCC[N@@H+](CCOCCC#N)Cc1ccccc1O ZINC000293987007 328278803 /nfs/dbraw/zinc/27/88/03/328278803.db2.gz FEFZZFDFYFTCEY-UHFFFAOYSA-N 1 1 276.380 2.925 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ncccc1C ZINC001085538037 782091623 /nfs/dbraw/zinc/09/16/23/782091623.db2.gz NJZVEIAUZOAXJB-OAHLLOKOSA-N 1 1 287.407 2.503 20 30 CFEDMO CCOC(=O)C[N@H+](Cc1ccc(C#N)cc1)C1CCCC1 ZINC000159777015 322327913 /nfs/dbraw/zinc/32/79/13/322327913.db2.gz FJFKWMDHAAXWRQ-UHFFFAOYSA-N 1 1 286.375 2.866 20 30 CFEDMO CCOC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C1CCCC1 ZINC000159777015 322327914 /nfs/dbraw/zinc/32/79/14/322327914.db2.gz FJFKWMDHAAXWRQ-UHFFFAOYSA-N 1 1 286.375 2.866 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)CCC1CCCCC1 ZINC000101565985 328356826 /nfs/dbraw/zinc/35/68/26/328356826.db2.gz OKIXVTZOXVMVDT-KRWDZBQOSA-N 1 1 293.455 2.943 20 30 CFEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCn2ccnc21 ZINC000571752255 322594677 /nfs/dbraw/zinc/59/46/77/322594677.db2.gz LTLAPROJZBIQGZ-CVEARBPZSA-N 1 1 278.359 2.867 20 30 CFEDMO COCC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(C)o1 ZINC000572056287 322606000 /nfs/dbraw/zinc/60/60/00/322606000.db2.gz WWQSWXXQWBFLLK-HNNXBMFYSA-N 1 1 285.347 2.722 20 30 CFEDMO CO[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1C ZINC000189365635 324027805 /nfs/dbraw/zinc/02/78/05/324027805.db2.gz HPJAEMGGTGFPQH-NHYWBVRUSA-N 1 1 262.328 2.554 20 30 CFEDMO CO[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@@H]1C ZINC000189365635 324027808 /nfs/dbraw/zinc/02/78/08/324027808.db2.gz HPJAEMGGTGFPQH-NHYWBVRUSA-N 1 1 262.328 2.554 20 30 CFEDMO C[C@H]1CSCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000190401552 324040593 /nfs/dbraw/zinc/04/05/93/324040593.db2.gz VAQVSZFDVPNXIA-LLVKDONJSA-N 1 1 264.369 2.882 20 30 CFEDMO C[C@H]1CSCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000190844105 324043803 /nfs/dbraw/zinc/04/38/03/324043803.db2.gz IUQTWRKXBPNHDL-SNVBAGLBSA-N 1 1 252.408 2.805 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2ccc(C#N)c(F)c2)CCS1 ZINC000191994682 324056158 /nfs/dbraw/zinc/05/61/58/324056158.db2.gz WSQUEURWEIEJMN-SNVBAGLBSA-N 1 1 250.342 2.635 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CCS1 ZINC000191994682 324056162 /nfs/dbraw/zinc/05/61/62/324056162.db2.gz WSQUEURWEIEJMN-SNVBAGLBSA-N 1 1 250.342 2.635 20 30 CFEDMO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1c(C)noc1C ZINC000580147157 325010354 /nfs/dbraw/zinc/01/03/54/325010354.db2.gz WAPYWPJJBZDKFG-CQSZACIVSA-N 1 1 270.336 2.799 20 30 CFEDMO CC(C)[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000580432071 325034763 /nfs/dbraw/zinc/03/47/63/325034763.db2.gz QSNBBYFBUQOATH-HNNXBMFYSA-N 1 1 297.406 2.859 20 30 CFEDMO CSCCC[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000580556532 325045888 /nfs/dbraw/zinc/04/58/88/325045888.db2.gz UXEZANOXLGUAGP-UHFFFAOYSA-N 1 1 279.365 2.651 20 30 CFEDMO CC[C@H](C)[C@H](C)[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000582726952 325229193 /nfs/dbraw/zinc/22/91/93/325229193.db2.gz UUSOEQHFOJUBNQ-STQMWFEESA-N 1 1 297.406 3.000 20 30 CFEDMO CCc1nnc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)[nH]1 ZINC000584274070 325342581 /nfs/dbraw/zinc/34/25/81/325342581.db2.gz HYLFWCKNQRJMNV-OAHLLOKOSA-N 1 1 295.390 2.796 20 30 CFEDMO C[C@H]([N@@H+](C)CC(=O)NC1(C#N)CCCCC1)C(C)(C)C ZINC000557449512 327006102 /nfs/dbraw/zinc/00/61/02/327006102.db2.gz WUENMVZFPUHQLI-ZDUSSCGKSA-N 1 1 279.428 2.695 20 30 CFEDMO C=CC[N@@H+](CC(=O)NCc1ccc(Cl)cc1)C1CC1 ZINC000357552349 327018787 /nfs/dbraw/zinc/01/87/87/327018787.db2.gz MGQYLBHQNDWBND-UHFFFAOYSA-N 1 1 278.783 2.607 20 30 CFEDMO C=CC[N@H+](CC(=O)NCc1ccc(Cl)cc1)C1CC1 ZINC000357552349 327018790 /nfs/dbraw/zinc/01/87/90/327018790.db2.gz MGQYLBHQNDWBND-UHFFFAOYSA-N 1 1 278.783 2.607 20 30 CFEDMO CC#CC[N@@H+](C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000559458290 327246245 /nfs/dbraw/zinc/24/62/45/327246245.db2.gz DVMUNRNAIPRNLF-SFHVURJKSA-N 1 1 267.372 2.698 20 30 CFEDMO CC#CC[N@@H+](C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000559458288 327246251 /nfs/dbraw/zinc/24/62/51/327246251.db2.gz DVMUNRNAIPRNLF-GOSISDBHSA-N 1 1 267.372 2.698 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000560026780 327278305 /nfs/dbraw/zinc/27/83/05/327278305.db2.gz SLBSAEYNLIEYDX-DOTOQJQBSA-N 1 1 275.392 2.605 20 30 CFEDMO C=CCCCC[N@H+](CCNC(C)=O)C1CCSCC1 ZINC000560245394 327293138 /nfs/dbraw/zinc/29/31/38/327293138.db2.gz QJBQGYIFWPDJFM-UHFFFAOYSA-N 1 1 284.469 2.676 20 30 CFEDMO C=CCCCCCNC(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000566431625 327361710 /nfs/dbraw/zinc/36/17/10/327361710.db2.gz VXWWOWDWOOXCSD-HNNXBMFYSA-N 1 1 281.444 2.764 20 30 CFEDMO C[N@@H+](CCC(=O)NCC#Cc1ccccc1)C1CCCCC1 ZINC000564509262 327364540 /nfs/dbraw/zinc/36/45/40/327364540.db2.gz SGGFMNGOBOFACE-UHFFFAOYSA-N 1 1 298.430 2.809 20 30 CFEDMO Cc1cc(C[NH2+]C[C@H](C#N)CCC#N)cc(N2CCCC2)n1 ZINC000562232356 327458033 /nfs/dbraw/zinc/45/80/33/327458033.db2.gz MRXXEQQZSKJUAI-HNNXBMFYSA-N 1 1 297.406 2.523 20 30 CFEDMO Cc1noc(C[C@@H]([NH2+]CC2(C#N)CCC2)c2ccccc2)n1 ZINC000569899404 327554667 /nfs/dbraw/zinc/55/46/67/327554667.db2.gz LQFVITQBJWZAQA-OAHLLOKOSA-N 1 1 296.374 2.945 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375276193 329002357 /nfs/dbraw/zinc/00/23/57/329002357.db2.gz FZSHZTKCBJNBDR-QGZVFWFLSA-N 1 1 255.361 2.541 20 30 CFEDMO N#CCCN(C(=O)C[N@H+]1CCC[C@@H]1C1CC1)c1ccccc1 ZINC000377533006 329017746 /nfs/dbraw/zinc/01/77/46/329017746.db2.gz DLXHYRWKOLTPNB-QGZVFWFLSA-N 1 1 297.402 2.808 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000377540464 329018049 /nfs/dbraw/zinc/01/80/49/329018049.db2.gz JMDOJEPXJPLMIF-KRWDZBQOSA-N 1 1 277.371 2.838 20 30 CFEDMO N#CCCC[N@@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000377567619 329019322 /nfs/dbraw/zinc/01/93/22/329019322.db2.gz QCLFCYJQNCDFGX-MRXNPFEDSA-N 1 1 258.365 2.664 20 30 CFEDMO CC#CCC[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000377730477 329027560 /nfs/dbraw/zinc/02/75/60/329027560.db2.gz YKGVKQRZUBDMMZ-CABCVRRESA-N 1 1 292.423 2.589 20 30 CFEDMO C=CCCCCCN(C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000377897609 329034024 /nfs/dbraw/zinc/03/40/24/329034024.db2.gz BFRDSSHIIQXTLV-CQSZACIVSA-N 1 1 275.396 2.965 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC000378130030 329040877 /nfs/dbraw/zinc/04/08/77/329040877.db2.gz MXPZMPHPRQNXLK-SFHVURJKSA-N 1 1 287.403 2.539 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C(C)C ZINC000378162631 329042111 /nfs/dbraw/zinc/04/21/11/329042111.db2.gz XJIXSTYIBFKASH-HOTGVXAUSA-N 1 1 291.439 2.798 20 30 CFEDMO C#CCC[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000378321685 329045944 /nfs/dbraw/zinc/04/59/44/329045944.db2.gz BHMFSGSRRWKMFF-SFHVURJKSA-N 1 1 270.420 2.996 20 30 CFEDMO C#CCC[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000378321685 329045946 /nfs/dbraw/zinc/04/59/46/329045946.db2.gz BHMFSGSRRWKMFF-SFHVURJKSA-N 1 1 270.420 2.996 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000378321685 329045948 /nfs/dbraw/zinc/04/59/48/329045948.db2.gz BHMFSGSRRWKMFF-SFHVURJKSA-N 1 1 270.420 2.996 20 30 CFEDMO C#CCCN1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000378321685 329045949 /nfs/dbraw/zinc/04/59/49/329045949.db2.gz BHMFSGSRRWKMFF-SFHVURJKSA-N 1 1 270.420 2.996 20 30 CFEDMO C#CCCN1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000378321685 329045950 /nfs/dbraw/zinc/04/59/50/329045950.db2.gz BHMFSGSRRWKMFF-SFHVURJKSA-N 1 1 270.420 2.996 20 30 CFEDMO CC1CCC2(CC[N@@H+](CCC(=O)N(C)CCC#N)C2)CC1 ZINC000378411375 329049478 /nfs/dbraw/zinc/04/94/78/329049478.db2.gz VDPZSRWZCWFNMA-UHFFFAOYSA-N 1 1 291.439 2.651 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCCCC#N ZINC000171740577 329079876 /nfs/dbraw/zinc/07/98/76/329079876.db2.gz VASLGIOYDOEAJJ-OAHLLOKOSA-N 1 1 294.443 2.634 20 30 CFEDMO CC1=C[C@H](C)C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000582709963 329133372 /nfs/dbraw/zinc/13/33/72/329133372.db2.gz ROXCYCWRTLSBNT-ZFWWWQNUSA-N 1 1 289.423 2.616 20 30 CFEDMO C=CCCCCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)CC ZINC000172654368 329136116 /nfs/dbraw/zinc/13/61/16/329136116.db2.gz FITBRQMTKKIZQT-KGLIPLIRSA-N 1 1 254.418 2.968 20 30 CFEDMO C=CCC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000172620182 329137701 /nfs/dbraw/zinc/13/77/01/329137701.db2.gz IWQSUDDRXZPOGE-AWEZNQCLSA-N 1 1 258.365 2.913 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000174830374 329163680 /nfs/dbraw/zinc/16/36/80/329163680.db2.gz VPYHOEYWQOTEIR-CYBMUJFWSA-N 1 1 260.385 2.919 20 30 CFEDMO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000174830374 329163681 /nfs/dbraw/zinc/16/36/81/329163681.db2.gz VPYHOEYWQOTEIR-CYBMUJFWSA-N 1 1 260.385 2.919 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000174830374 329163682 /nfs/dbraw/zinc/16/36/82/329163682.db2.gz VPYHOEYWQOTEIR-CYBMUJFWSA-N 1 1 260.385 2.919 20 30 CFEDMO CCCCCCC[N@@H+]1CC[C@H](N2CCN(CC)CC2)C1 ZINC000177026262 329178273 /nfs/dbraw/zinc/17/82/73/329178273.db2.gz JQQYSFKIMOBWIN-KRWDZBQOSA-N 1 1 281.488 2.669 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@H](N2CCN(CC)CC2)C1 ZINC000177026262 329178275 /nfs/dbraw/zinc/17/82/75/329178275.db2.gz JQQYSFKIMOBWIN-KRWDZBQOSA-N 1 1 281.488 2.669 20 30 CFEDMO CCCCCCC[N@@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000177026281 329178447 /nfs/dbraw/zinc/17/84/47/329178447.db2.gz JQQYSFKIMOBWIN-QGZVFWFLSA-N 1 1 281.488 2.669 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000177026281 329178448 /nfs/dbraw/zinc/17/84/48/329178448.db2.gz JQQYSFKIMOBWIN-QGZVFWFLSA-N 1 1 281.488 2.669 20 30 CFEDMO CN(CC#Cc1ccc(Cl)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000177185088 329180552 /nfs/dbraw/zinc/18/05/52/329180552.db2.gz PKXGRFMCFACCGO-INIZCTEOSA-N 1 1 290.838 2.965 20 30 CFEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](CC)C2CC2)c1C ZINC000177556085 329184868 /nfs/dbraw/zinc/18/48/68/329184868.db2.gz QIUQRYKVYDDWND-UHFFFAOYSA-N 1 1 260.381 2.958 20 30 CFEDMO C=CCn1c(C)cc(C(=O)C[N@H+](CC)C2CC2)c1C ZINC000177556085 329184869 /nfs/dbraw/zinc/18/48/69/329184869.db2.gz QIUQRYKVYDDWND-UHFFFAOYSA-N 1 1 260.381 2.958 20 30 CFEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000181251776 329227703 /nfs/dbraw/zinc/22/77/03/329227703.db2.gz MLPOFJFKRPGXRJ-CYBMUJFWSA-N 1 1 276.380 2.839 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000181251776 329227704 /nfs/dbraw/zinc/22/77/04/329227704.db2.gz MLPOFJFKRPGXRJ-CYBMUJFWSA-N 1 1 276.380 2.839 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N(C)Cc1ccc(SC)cc1 ZINC000181244687 329227753 /nfs/dbraw/zinc/22/77/53/329227753.db2.gz ZPZGQRDUQALSIA-UHFFFAOYSA-N 1 1 292.448 2.875 20 30 CFEDMO C=CC[C@H](C)NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000181280997 329229229 /nfs/dbraw/zinc/22/92/29/329229229.db2.gz BKSCXYBZRZZJOT-LSDHHAIUSA-N 1 1 289.423 2.771 20 30 CFEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000181283963 329229572 /nfs/dbraw/zinc/22/95/72/329229572.db2.gz QPUWJBVPBVWKJK-GFCCVEGCSA-N 1 1 292.379 2.539 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000181283963 329229573 /nfs/dbraw/zinc/22/95/73/329229573.db2.gz QPUWJBVPBVWKJK-GFCCVEGCSA-N 1 1 292.379 2.539 20 30 CFEDMO N#CCCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181293023 329229929 /nfs/dbraw/zinc/22/99/29/329229929.db2.gz KIXIUGZQYWZUID-HNNXBMFYSA-N 1 1 295.390 2.955 20 30 CFEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1ccccc1F ZINC000181300741 329230385 /nfs/dbraw/zinc/23/03/85/329230385.db2.gz GLZDYJKKPCZVHK-UHFFFAOYSA-N 1 1 250.317 2.662 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000181308594 329230644 /nfs/dbraw/zinc/23/06/44/329230644.db2.gz NCQYFRYHIKKVAV-LBPRGKRZSA-N 1 1 280.799 2.853 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000181315679 329231187 /nfs/dbraw/zinc/23/11/87/329231187.db2.gz HHVIAGUQUOQSSM-AWEZNQCLSA-N 1 1 278.783 2.953 20 30 CFEDMO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccccn1 ZINC000181809195 329237411 /nfs/dbraw/zinc/23/74/11/329237411.db2.gz BXPOQCLSUIGEOV-ZDUSSCGKSA-N 1 1 254.308 2.923 20 30 CFEDMO CC#CCCCC(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC000184400714 329259512 /nfs/dbraw/zinc/25/95/12/329259512.db2.gz BFNMPOUKPCIYGA-UHFFFAOYSA-N 1 1 282.347 2.708 20 30 CFEDMO CC(C)OC(=O)C[C@H]1CCC[N@@H+](CCCCC#N)C1 ZINC000184462169 329260492 /nfs/dbraw/zinc/26/04/92/329260492.db2.gz AFQYNHQTAALGKT-CQSZACIVSA-N 1 1 266.385 2.734 20 30 CFEDMO CC#CCCCC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000185140654 329266386 /nfs/dbraw/zinc/26/63/86/329266386.db2.gz SWMQYEMPMDBQGW-INIZCTEOSA-N 1 1 278.440 2.808 20 30 CFEDMO CC#CCCCC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000185076847 329267822 /nfs/dbraw/zinc/26/78/22/329267822.db2.gz MPNWDESQOZXOAR-OAHLLOKOSA-N 1 1 264.413 2.561 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000185256988 329269681 /nfs/dbraw/zinc/26/96/81/329269681.db2.gz NSQMMSNATZIANV-QLFBSQMISA-N 1 1 266.429 2.825 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000185257004 329269706 /nfs/dbraw/zinc/26/97/06/329269706.db2.gz NSQMMSNATZIANV-SOUVJXGZSA-N 1 1 266.429 2.825 20 30 CFEDMO C=CCOCCC[N@@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000582902745 329283620 /nfs/dbraw/zinc/28/36/20/329283620.db2.gz SLLCKAHFRJVVHL-GJZGRUSLSA-N 1 1 297.439 2.879 20 30 CFEDMO N#C[C@@H]1CC[C@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000583139228 329325871 /nfs/dbraw/zinc/32/58/71/329325871.db2.gz OFQNNBVRGCCDAM-VHDGCEQUSA-N 1 1 266.348 2.781 20 30 CFEDMO CN(C)CC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCCC1 ZINC000185899630 329334705 /nfs/dbraw/zinc/33/47/05/329334705.db2.gz DOKYHCGAAQZHAU-CABCVRRESA-N 1 1 263.429 2.780 20 30 CFEDMO N#CCCCC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186706042 329347904 /nfs/dbraw/zinc/34/79/04/329347904.db2.gz CTTASYBHUNNCKJ-INIZCTEOSA-N 1 1 256.349 2.812 20 30 CFEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCCC2(CC2)C1 ZINC000186971243 329352543 /nfs/dbraw/zinc/35/25/43/329352543.db2.gz HOASHPIGUFQNGT-AWEZNQCLSA-N 1 1 289.423 2.594 20 30 CFEDMO N#CCC[N@H+](C[C@H](O)C1CCCCC1)CC1CC1 ZINC000190628784 329399926 /nfs/dbraw/zinc/39/99/26/329399926.db2.gz ZXGLNVZGHZBEBZ-HNNXBMFYSA-N 1 1 250.386 2.553 20 30 CFEDMO CCCCN(CCCC)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000060893610 329680373 /nfs/dbraw/zinc/68/03/73/329680373.db2.gz JROKCCFNAMXASY-UHFFFAOYSA-N 1 1 279.428 2.651 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1C[C@@H](CC)O[C@H](CC)C1 ZINC000420946961 329790100 /nfs/dbraw/zinc/79/01/00/329790100.db2.gz CGORXJCOAFEMSE-ARFHVFGLSA-N 1 1 296.455 2.689 20 30 CFEDMO C=CCSCC[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273355805 330090415 /nfs/dbraw/zinc/09/04/15/330090415.db2.gz CQJZXFYHUGHIIX-LLVKDONJSA-N 1 1 295.404 2.749 20 30 CFEDMO 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ZINC000965242545 613935905 /nfs/dbraw/zinc/93/59/05/613935905.db2.gz DMLYHBHQBRVUAH-SJLPKXTDSA-N 1 1 298.430 2.521 20 30 CFEDMO CC(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC000972820463 613937064 /nfs/dbraw/zinc/93/70/64/613937064.db2.gz CPEBWXZFMHORNH-MRXNPFEDSA-N 1 1 299.418 2.541 20 30 CFEDMO CC(C)C(=O)N1CCC[C@@H]1C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000960417334 614361362 /nfs/dbraw/zinc/36/13/62/614361362.db2.gz CMFVXZKZMLOSJG-QGZVFWFLSA-N 1 1 299.418 2.637 20 30 CFEDMO CC[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC000971107129 615416664 /nfs/dbraw/zinc/41/66/64/615416664.db2.gz UERWSNSIZSZWMO-RHSMWYFYSA-N 1 1 299.418 2.637 20 30 CFEDMO CC[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000971107129 615416667 /nfs/dbraw/zinc/41/66/67/615416667.db2.gz UERWSNSIZSZWMO-RHSMWYFYSA-N 1 1 299.418 2.637 20 30 CFEDMO CC[C@H](c1ccccc1)[N@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000980838525 615868673 /nfs/dbraw/zinc/86/86/73/615868673.db2.gz RTINXALZDYKWHV-DOTOQJQBSA-N 1 1 299.418 2.832 20 30 CFEDMO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC000972780766 616170301 /nfs/dbraw/zinc/17/03/01/616170301.db2.gz DLAIAKPFCXVKMT-MRXNPFEDSA-N 1 1 299.418 2.637 20 30 CFEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC000972780766 616170302 /nfs/dbraw/zinc/17/03/02/616170302.db2.gz DLAIAKPFCXVKMT-MRXNPFEDSA-N 1 1 299.418 2.637 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cs1 ZINC000892005022 617909859 /nfs/dbraw/zinc/90/98/59/617909859.db2.gz PIWXQHDWLQXOHD-GHMZBOCLSA-N 1 1 290.310 2.507 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cs1 ZINC000892005022 617909861 /nfs/dbraw/zinc/90/98/61/617909861.db2.gz PIWXQHDWLQXOHD-GHMZBOCLSA-N 1 1 290.310 2.507 20 30 CFEDMO C#CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021493745 618028380 /nfs/dbraw/zinc/02/83/80/618028380.db2.gz VUMPQLRJNVFPHK-SJORKVTESA-N 1 1 288.435 2.513 20 30 CFEDMO CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(CC)CC)C1 ZINC001021521791 618040869 /nfs/dbraw/zinc/04/08/69/618040869.db2.gz AVGOZJRLIPINAF-SJORKVTESA-N 1 1 290.451 2.759 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000934461526 618041568 /nfs/dbraw/zinc/04/15/68/618041568.db2.gz NPEDDAWZBBTVEE-GJZGRUSLSA-N 1 1 286.375 2.558 20 30 CFEDMO C=CC[C@H]1CCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000890550189 617641133 /nfs/dbraw/zinc/64/11/33/617641133.db2.gz IIOLSDQCMIYNFW-OLZOCXBDSA-N 1 1 261.369 2.574 20 30 CFEDMO C=CC[C@H]1CCN1C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000890553997 617644346 /nfs/dbraw/zinc/64/43/46/617644346.db2.gz GNLIVSJVRKNWSS-IRXDYDNUSA-N 1 1 284.403 2.686 20 30 CFEDMO C=CC[C@@H](C)[N@@H+](C)C[C@@H]1CCN1C(=O)OC(C)(C)C ZINC000933465226 617649826 /nfs/dbraw/zinc/64/98/26/617649826.db2.gz PQAPBWWJZIEYQS-OLZOCXBDSA-N 1 1 268.401 2.892 20 30 CFEDMO CCCCCCC[N@@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933536110 617674461 /nfs/dbraw/zinc/67/44/61/617674461.db2.gz YISQFFRXLHKCPD-HNNXBMFYSA-N 1 1 265.401 2.764 20 30 CFEDMO CCCCCCC[N@H+]1CCO[C@H](c2ccnn2C)C1 ZINC000933536110 617674464 /nfs/dbraw/zinc/67/44/64/617674464.db2.gz YISQFFRXLHKCPD-HNNXBMFYSA-N 1 1 265.401 2.764 20 30 CFEDMO C#CC[N@H+](Cc1cnc(OC)c(Cl)c1)C(C)C ZINC000932387167 617714019 /nfs/dbraw/zinc/71/40/19/617714019.db2.gz ABMXHSNQXQFAHH-UHFFFAOYSA-N 1 1 252.745 2.587 20 30 CFEDMO CC(C)[N@H+](CCC#N)C[C@@H]1C[C@]1(C)Br ZINC000891693949 617714563 /nfs/dbraw/zinc/71/45/63/617714563.db2.gz JNIWAMGORJDGAG-QWRGUYRKSA-N 1 1 259.191 2.784 20 30 CFEDMO CC(C)[N@@H+](CCC#N)C[C@@H]1C[C@]1(C)Br ZINC000891693949 617714564 /nfs/dbraw/zinc/71/45/64/617714564.db2.gz JNIWAMGORJDGAG-QWRGUYRKSA-N 1 1 259.191 2.784 20 30 CFEDMO CC[N@H+](C[C@H](C)C#N)C[C@@H]1C[C@@]1(C)Br ZINC000891715266 617724696 /nfs/dbraw/zinc/72/46/96/617724696.db2.gz BLGWAPAFDDTXJX-OUAUKWLOSA-N 1 1 259.191 2.641 20 30 CFEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1C[C@@]1(C)Br ZINC000891715266 617724698 /nfs/dbraw/zinc/72/46/98/617724698.db2.gz BLGWAPAFDDTXJX-OUAUKWLOSA-N 1 1 259.191 2.641 20 30 CFEDMO 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C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024426147 618312490 /nfs/dbraw/zinc/31/24/90/618312490.db2.gz VHEUJRDVNHNWGQ-AWEZNQCLSA-N 1 1 264.413 2.579 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001024453278 618317926 /nfs/dbraw/zinc/31/79/26/618317926.db2.gz HCJKFVBBTHOVHK-OAHLLOKOSA-N 1 1 275.396 2.565 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001024455012 618319059 /nfs/dbraw/zinc/31/90/59/618319059.db2.gz IXTXJFXAGZKJGL-SJORKVTESA-N 1 1 288.435 2.727 20 30 CFEDMO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000895119253 618324356 /nfs/dbraw/zinc/32/43/56/618324356.db2.gz AETSDKHAQQJIIG-MELADBBJSA-N 1 1 299.418 2.585 20 30 CFEDMO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@@H+]1Cc1ccc(C(C)(C)C#N)cc1 ZINC000895119253 618324360 /nfs/dbraw/zinc/32/43/60/618324360.db2.gz AETSDKHAQQJIIG-MELADBBJSA-N 1 1 299.418 2.585 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(F)ccc1F ZINC001024481120 618329055 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C#CCCCCC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000179829547 618357241 /nfs/dbraw/zinc/35/72/41/618357241.db2.gz RIQATENYHWJPOU-OAHLLOKOSA-N 1 1 278.440 2.807 20 30 CFEDMO CC(C)C[N@@H+](C)CCCNCC#Cc1ccccc1 ZINC000895136278 618364371 /nfs/dbraw/zinc/36/43/71/618364371.db2.gz GBWOMCCKIGAQOC-UHFFFAOYSA-N 1 1 258.409 2.606 20 30 CFEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](CCCC)C2)C1 ZINC001008463896 618384415 /nfs/dbraw/zinc/38/44/15/618384415.db2.gz JLTCYJHTYGCYMA-AWEZNQCLSA-N 1 1 264.413 2.723 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1occ2c1CCC2 ZINC001024574982 618389537 /nfs/dbraw/zinc/38/95/37/618389537.db2.gz GMLYBIWEBIGUNH-AWEZNQCLSA-N 1 1 288.391 2.539 20 30 CFEDMO C#Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC2CC2)cc1 ZINC001024591474 618401231 /nfs/dbraw/zinc/40/12/31/618401231.db2.gz DWDRCGOBQNQEJB-SFHVURJKSA-N 1 1 296.414 2.662 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024608450 618413823 /nfs/dbraw/zinc/41/38/23/618413823.db2.gz PMRYYEZKPPWHLX-JKSUJKDBSA-N 1 1 290.451 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FBXLQOOTAFJNJI-GJZGRUSLSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1occc1CC ZINC001024635426 618426829 /nfs/dbraw/zinc/42/68/29/618426829.db2.gz BDQXXPBIRXFDPN-AWEZNQCLSA-N 1 1 276.380 2.612 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001024683106 618441007 /nfs/dbraw/zinc/44/10/07/618441007.db2.gz MWGKMCPWOFAYOY-HNNXBMFYSA-N 1 1 289.423 2.792 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C(C)C)no1 ZINC001024691045 618445345 /nfs/dbraw/zinc/44/53/45/618445345.db2.gz PDGYAPJSKIKYIY-CYBMUJFWSA-N 1 1 291.395 2.568 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C)cc(OC)c2OC)C1 ZINC000895184400 618447727 /nfs/dbraw/zinc/44/77/27/618447727.db2.gz UPPNPFCRZYYGKH-CQSZACIVSA-N 1 1 273.376 2.857 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895184998 618447825 /nfs/dbraw/zinc/44/78/25/618447825.db2.gz YXSQWTRRSAZODM-JTQLQIEISA-N 1 1 251.276 2.516 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895184998 618447829 /nfs/dbraw/zinc/44/78/29/618447829.db2.gz YXSQWTRRSAZODM-JTQLQIEISA-N 1 1 251.276 2.516 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1csc(Cl)n1 ZINC001024745386 618459954 /nfs/dbraw/zinc/45/99/54/618459954.db2.gz VVGWJHXWFHIMMI-JTQLQIEISA-N 1 1 299.827 2.567 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024770966 618465915 /nfs/dbraw/zinc/46/59/15/618465915.db2.gz ALDJEIPREUTTTP-BRWVUGGUSA-N 1 1 290.451 2.807 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@@H](C(F)(F)F)CC1 ZINC000877821545 618468381 /nfs/dbraw/zinc/46/83/81/618468381.db2.gz YNALTMATBIYXHJ-LLVKDONJSA-N 1 1 278.318 2.970 20 30 CFEDMO C#Cc1cccc(NC(=S)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000726465212 618480228 /nfs/dbraw/zinc/48/02/28/618480228.db2.gz FZYNMJGYGSHZRD-HOTGVXAUSA-N 1 1 299.443 2.581 20 30 CFEDMO C[C@]1(Br)C[C@H]1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000895312960 618529887 /nfs/dbraw/zinc/52/98/87/618529887.db2.gz AOUUTJTXKRGKRK-WOPDTQHZSA-N 1 1 271.202 2.786 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+]([C@@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000895337075 618538616 /nfs/dbraw/zinc/53/86/16/618538616.db2.gz DKBDFJBWOOLOCF-RBSFLKMASA-N 1 1 283.387 2.908 20 30 CFEDMO C#CC1(O)CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000895382811 618560143 /nfs/dbraw/zinc/56/01/43/618560143.db2.gz MUSMGJBHSOSTDR-UHFFFAOYSA-N 1 1 284.186 2.954 20 30 CFEDMO C=C(C)C[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(=O)OC ZINC000895442597 618589190 /nfs/dbraw/zinc/58/91/90/618589190.db2.gz CYDJXJCHFNABQN-HUUCEWRRSA-N 1 1 295.423 2.966 20 30 CFEDMO CCCCC[C@@H](C)NC(=O)CO[NH+]=C(N)C1CCCC1 ZINC000178139364 618626174 /nfs/dbraw/zinc/62/61/74/618626174.db2.gz WCWNDTYYBDHDBY-GFCCVEGCSA-N 1 1 283.416 2.550 20 30 CFEDMO C=C1CCC(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000892596495 618647373 /nfs/dbraw/zinc/64/73/73/618647373.db2.gz QQGPWAPQGPKMCO-HZPDHXFCSA-N 1 1 276.424 2.866 20 30 CFEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[C@H](C)C1 ZINC001017820338 618672556 /nfs/dbraw/zinc/67/25/56/618672556.db2.gz 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ZINC000156563390 622946460 /nfs/dbraw/zinc/94/64/60/622946460.db2.gz ZBSHVTDIANGESW-DOTOQJQBSA-N 1 1 286.419 2.834 20 30 CFEDMO C=CCc1cc(C[N@@H+](C)C[C@H]2CCOC2)c(O)c(OC)c1 ZINC000164460279 622956621 /nfs/dbraw/zinc/95/66/21/622956621.db2.gz XDVQWNJACQAPEO-CQSZACIVSA-N 1 1 291.391 2.598 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000821953449 623011433 /nfs/dbraw/zinc/01/14/33/623011433.db2.gz QCXSTPNJDGKPCE-HNNXBMFYSA-N 1 1 271.364 2.564 20 30 CFEDMO CCCCCCC[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000157537163 623039140 /nfs/dbraw/zinc/03/91/40/623039140.db2.gz LWQJCIGRMVFMGL-AWEZNQCLSA-N 1 1 252.402 2.700 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCSC[C@H](C)C2)cc1 ZINC000190844064 623058797 /nfs/dbraw/zinc/05/87/97/623058797.db2.gz SYDAIPNUBLSZAX-CQSZACIVSA-N 1 1 275.417 2.884 20 30 CFEDMO CC1(C#N)CC[NH+](CCSC(F)(F)F)CC1 ZINC000226318867 623066950 /nfs/dbraw/zinc/06/69/50/623066950.db2.gz LDCVXSJKMNIXLK-UHFFFAOYSA-N 1 1 252.305 2.865 20 30 CFEDMO 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PMNZJLRQGKETPX-LLVKDONJSA-N 1 1 260.297 2.640 20 30 CFEDMO COc1cc(C)ccc1-c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000823163088 623248678 /nfs/dbraw/zinc/24/86/78/623248678.db2.gz FLPLTWWDBXOZNC-LBPRGKRZSA-N 1 1 286.335 2.747 20 30 CFEDMO COCC1(c2noc([C@H]([NH3+])CCCC#N)n2)CCCCC1 ZINC000823231507 623270676 /nfs/dbraw/zinc/27/06/76/623270676.db2.gz WRLYNOYNOAFKPV-GFCCVEGCSA-N 1 1 292.383 2.612 20 30 CFEDMO C#CC[N@H+](CCCC(=O)OC)[C@H]1CCc2ccccc21 ZINC000172244393 623271663 /nfs/dbraw/zinc/27/16/63/623271663.db2.gz JNULLPRYSOHEDW-INIZCTEOSA-N 1 1 271.360 2.562 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000823248259 623275359 /nfs/dbraw/zinc/27/53/59/623275359.db2.gz NKWKKGQYUSAPGT-ZDUSSCGKSA-N 1 1 251.370 2.596 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000823248258 623275598 /nfs/dbraw/zinc/27/55/98/623275598.db2.gz NKWKKGQYUSAPGT-CYBMUJFWSA-N 1 1 251.370 2.596 20 30 CFEDMO COc1ccc(C[NH2+][C@H](C)c2nccs2)cc1C#N ZINC000087824426 623277828 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299.418 2.551 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CNC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000237595619 624965091 /nfs/dbraw/zinc/96/50/91/624965091.db2.gz FXXRFETUDCQDRG-ZBFHGGJFSA-N 1 1 299.418 2.551 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000237596838 624965195 /nfs/dbraw/zinc/96/51/95/624965195.db2.gz FXXRFETUDCQDRG-GDBMZVCRSA-N 1 1 299.418 2.551 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000237596838 624965199 /nfs/dbraw/zinc/96/51/99/624965199.db2.gz FXXRFETUDCQDRG-GDBMZVCRSA-N 1 1 299.418 2.551 20 30 CFEDMO N#C[C@@H]1C[N@H+](Cn2ccc(=S)c3ccccc32)CCO1 ZINC000068619435 625016225 /nfs/dbraw/zinc/01/62/25/625016225.db2.gz PGMVHJPNOMCRDU-GFCCVEGCSA-N 1 1 285.372 2.553 20 30 CFEDMO N#C[C@@H]1C[N@@H+](Cn2ccc(=S)c3ccccc32)CCO1 ZINC000068619435 625016226 /nfs/dbraw/zinc/01/62/26/625016226.db2.gz PGMVHJPNOMCRDU-GFCCVEGCSA-N 1 1 285.372 2.553 20 30 CFEDMO C#CCCCCC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180755955 625037743 /nfs/dbraw/zinc/03/77/43/625037743.db2.gz MEBWZHZKZMUIEW-KRWDZBQOSA-N 1 1 285.387 2.998 20 30 CFEDMO C=C(Br)C[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000831538371 625046595 /nfs/dbraw/zinc/04/65/95/625046595.db2.gz BHIOHOZNKJDALX-SNVBAGLBSA-N 1 1 262.191 2.642 20 30 CFEDMO C=C(Br)C[N@@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000831538371 625046600 /nfs/dbraw/zinc/04/66/00/625046600.db2.gz BHIOHOZNKJDALX-SNVBAGLBSA-N 1 1 262.191 2.642 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)NC1CCCCCCC1 ZINC000181263879 625094377 /nfs/dbraw/zinc/09/43/77/625094377.db2.gz MRYZKULVLQUHKR-UHFFFAOYSA-N 1 1 252.402 2.723 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1cc(=O)oc2cc(OC)ccc12 ZINC000181311879 625099015 /nfs/dbraw/zinc/09/90/15/625099015.db2.gz IAOBOHHNCPSXKS-UHFFFAOYSA-N 1 1 273.332 2.810 20 30 CFEDMO C=C(C)C[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831814021 625141874 /nfs/dbraw/zinc/14/18/74/625141874.db2.gz BKUIVMFRKYMQKR-UHFFFAOYSA-N 1 1 268.401 2.942 20 30 CFEDMO NC(=[NH+]OCCOCC1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000181555053 625179600 /nfs/dbraw/zinc/17/96/00/625179600.db2.gz ONUZWBKDRILCRO-UHFFFAOYSA-N 1 1 292.423 2.918 20 30 CFEDMO C[C@H]([NH2+]CCCC#N)c1nc(Br)cs1 ZINC000834761777 625838443 /nfs/dbraw/zinc/83/84/43/625838443.db2.gz VBBPNQPJXKGTEQ-ZETCQYMHSA-N 1 1 274.187 2.860 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1 ZINC000834887977 625910575 /nfs/dbraw/zinc/91/05/75/625910575.db2.gz BFIUJHOLTBNDDR-QRVBRYPASA-N 1 1 298.430 2.661 20 30 CFEDMO C#CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000834887977 625910579 /nfs/dbraw/zinc/91/05/79/625910579.db2.gz BFIUJHOLTBNDDR-QRVBRYPASA-N 1 1 298.430 2.661 20 30 CFEDMO C#CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000834887977 625910584 /nfs/dbraw/zinc/91/05/84/625910584.db2.gz BFIUJHOLTBNDDR-QRVBRYPASA-N 1 1 298.430 2.661 20 30 CFEDMO C#Cc1cccc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)c1 ZINC000834902046 625915227 /nfs/dbraw/zinc/91/52/27/625915227.db2.gz CZSKMQVSIRSIRA-ZDUSSCGKSA-N 1 1 253.349 2.561 20 30 CFEDMO C#CC[N@H+](CC#CC)C[C@@H]1CCOc2ccccc21 ZINC000769447060 625924220 /nfs/dbraw/zinc/92/42/20/625924220.db2.gz FTYXEXHDWJEANI-HNNXBMFYSA-N 1 1 253.345 2.511 20 30 CFEDMO FC1(F)CC1=C[NH2+]Nc1nc(-c2ccccc2)no1 ZINC000834951735 625931106 /nfs/dbraw/zinc/93/11/06/625931106.db2.gz DVWICUWZIKJPKT-SECBINFHSA-N 1 1 264.235 2.790 20 30 CFEDMO CC(C)CC[C@H]1CCC(=NNCCC[NH+]2CCOCC2)C1 ZINC000834977935 625942273 /nfs/dbraw/zinc/94/22/73/625942273.db2.gz ZQINUAPVVOECIK-INIZCTEOSA-N 1 1 295.471 2.891 20 30 CFEDMO Cc1cc([N+](=O)[O-])ccc1N[NH2+]C=C1CC1(F)F ZINC000834980249 625944740 /nfs/dbraw/zinc/94/47/40/625944740.db2.gz VASSTOQZPDIQIS-QMMMGPOBSA-N 1 1 255.224 2.956 20 30 CFEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)c2ccoc2)CC1 ZINC000996929770 625945085 /nfs/dbraw/zinc/94/50/85/625945085.db2.gz GHLPQMDQTAAYQL-GFCCVEGCSA-N 1 1 296.798 2.862 20 30 CFEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)c2ccc[nH]2)CC1 ZINC000996933689 625945800 /nfs/dbraw/zinc/94/58/00/625945800.db2.gz WDDRUKZESLWZOC-GFCCVEGCSA-N 1 1 295.814 2.598 20 30 CFEDMO CCOCCC[N@H+]1CCC(=NOC(C)C)[C@@H](C)C1 ZINC000835000622 625950240 /nfs/dbraw/zinc/95/02/40/625950240.db2.gz OPYREEWYBLYXQM-ZDUSSCGKSA-N 1 1 256.390 2.536 20 30 CFEDMO Cc1ccc(CN[NH+]=Cc2cnc(N(C)C)s2)cc1 ZINC000835009468 625956169 /nfs/dbraw/zinc/95/61/69/625956169.db2.gz WRUIVNUVOXJCRD-UHFFFAOYSA-N 1 1 274.393 2.641 20 30 CFEDMO CC[C@H](C[NH2+]Cc1csc(C#N)c1)N1CCCC1 ZINC000921525995 625973666 /nfs/dbraw/zinc/97/36/66/625973666.db2.gz YLPBUAFSECLQNR-CYBMUJFWSA-N 1 1 263.410 2.584 20 30 CFEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C#N)C1CCCC1 ZINC000921554640 625985894 /nfs/dbraw/zinc/98/58/94/625985894.db2.gz NSUTUZIGXCMCJU-GXTWGEPZSA-N 1 1 288.395 2.595 20 30 CFEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NCc1csc(C#N)c1 ZINC000921597621 625993022 /nfs/dbraw/zinc/99/30/22/625993022.db2.gz VMGCQZFYWKUYRD-OLZOCXBDSA-N 1 1 277.437 2.830 20 30 CFEDMO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+]Cc1csc(C#N)c1 ZINC000921597621 625993023 /nfs/dbraw/zinc/99/30/23/625993023.db2.gz VMGCQZFYWKUYRD-OLZOCXBDSA-N 1 1 277.437 2.830 20 30 CFEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NCc1csc(C#N)c1 ZINC000921597622 625993105 /nfs/dbraw/zinc/99/31/05/625993105.db2.gz VMGCQZFYWKUYRD-QWHCGFSZSA-N 1 1 277.437 2.830 20 30 CFEDMO C[C@H](CN1CCC[C@H](C)C1)[NH2+]Cc1csc(C#N)c1 ZINC000921597622 625993106 /nfs/dbraw/zinc/99/31/06/625993106.db2.gz VMGCQZFYWKUYRD-QWHCGFSZSA-N 1 1 277.437 2.830 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@H](NC(=O)c2ncccc2Cl)C1 ZINC001016044819 626014868 /nfs/dbraw/zinc/01/48/68/626014868.db2.gz KWADOVXTHDQQKN-LBPRGKRZSA-N 1 1 293.798 2.505 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccoc2)CC1 ZINC000997926222 626023605 /nfs/dbraw/zinc/02/36/05/626023605.db2.gz HQUOUDPCJUGREZ-OAHLLOKOSA-N 1 1 276.380 2.782 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccon2)CC1 ZINC000997936173 626024166 /nfs/dbraw/zinc/02/41/66/626024166.db2.gz QUFRUXBSCJMJCO-CQSZACIVSA-N 1 1 291.395 2.567 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CC(C)C2)CC1 ZINC000997964234 626025097 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C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001016152436 626074985 /nfs/dbraw/zinc/07/49/85/626074985.db2.gz INRKRNYIESGBFF-MRXNPFEDSA-N 1 1 272.392 2.629 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC001016206340 626119013 /nfs/dbraw/zinc/11/90/13/626119013.db2.gz DTIYJXGTDJMWEK-CYBMUJFWSA-N 1 1 293.436 2.530 20 30 CFEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2cscc2C)CC1 ZINC001000558671 626124064 /nfs/dbraw/zinc/12/40/64/626124064.db2.gz INAQMEAVFXZXCE-UHFFFAOYSA-N 1 1 276.405 2.604 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CNCC[N@H+]1CCC[C@@H]1C ZINC000921796086 626126548 /nfs/dbraw/zinc/12/65/48/626126548.db2.gz DOJRNEJPIBYSSB-HNNXBMFYSA-N 1 1 271.408 2.749 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CNCC[N@@H+]1CCC[C@@H]1C ZINC000921796086 626126549 /nfs/dbraw/zinc/12/65/49/626126549.db2.gz DOJRNEJPIBYSSB-HNNXBMFYSA-N 1 1 271.408 2.749 20 30 CFEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)c2[nH]ccc2C)CC1 ZINC001000635419 626127918 /nfs/dbraw/zinc/12/79/18/626127918.db2.gz DVFHCBMICUHCQA-UHFFFAOYSA-N 1 1 287.407 2.651 20 30 CFEDMO C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC(C)=C(C)C2)CC1 ZINC001000728951 626129515 /nfs/dbraw/zinc/12/95/15/626129515.db2.gz BADBWSRPXPINEB-KRWDZBQOSA-N 1 1 286.419 2.504 20 30 CFEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001000864043 626133610 /nfs/dbraw/zinc/13/36/10/626133610.db2.gz VXZBAMMZIVUDGU-GVDBMIGSSA-N 1 1 288.435 2.747 20 30 CFEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2ccc(C)c(F)c2)CC1 ZINC001000920040 626135620 /nfs/dbraw/zinc/13/56/20/626135620.db2.gz FFKJTZXPWZHQHF-UHFFFAOYSA-N 1 1 288.366 2.682 20 30 CFEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H]2Cc3ccccc32)CC1 ZINC001001105687 626143752 /nfs/dbraw/zinc/14/37/52/626143752.db2.gz OKNKXPSOXNHRFK-SFHVURJKSA-N 1 1 296.414 2.651 20 30 CFEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2cccc(F)c2F)CC1 ZINC001001093154 626144621 /nfs/dbraw/zinc/14/46/21/626144621.db2.gz IDAUMSPZPDVRSR-UHFFFAOYSA-N 1 1 292.329 2.513 20 30 CFEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001001111513 626145830 /nfs/dbraw/zinc/14/58/30/626145830.db2.gz QPLIKNLZLWDAPF-NVXWUHKLSA-N 1 1 288.435 2.584 20 30 CFEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC001001123807 626146174 /nfs/dbraw/zinc/14/61/74/626146174.db2.gz XBPZPOBNASOMGF-MRXNPFEDSA-N 1 1 288.435 2.584 20 30 CFEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC001001121252 626146208 /nfs/dbraw/zinc/14/62/08/626146208.db2.gz QPFGIPKLAGIOEA-HNNXBMFYSA-N 1 1 276.424 2.747 20 30 CFEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@H]2CC23CCC3)CC1 ZINC001001209791 626150976 /nfs/dbraw/zinc/15/09/76/626150976.db2.gz KTHPSBJYGQNZBF-MRXNPFEDSA-N 1 1 288.435 2.891 20 30 CFEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@]2(C)C(C)C)CC1 ZINC001001333027 626155042 /nfs/dbraw/zinc/15/50/42/626155042.db2.gz TXKZIDSDXFOJKE-DOTOQJQBSA-N 1 1 276.424 2.603 20 30 CFEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001001333030 626155116 /nfs/dbraw/zinc/15/51/16/626155116.db2.gz TXKZIDSDXFOJKE-RDJZCZTQSA-N 1 1 276.424 2.603 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)c2[nH]ccc2C)CC1 ZINC001001363307 626155483 /nfs/dbraw/zinc/15/54/83/626155483.db2.gz NGMAQDGGOYCWJD-UHFFFAOYSA-N 1 1 295.814 2.517 20 30 CFEDMO C=CCC[N@@H+]1CC=C(CNC(=O)c2ccc(C)cc2)CC1 ZINC001001398419 626156084 /nfs/dbraw/zinc/15/60/84/626156084.db2.gz YINPBAWNDAAGMP-UHFFFAOYSA-N 1 1 284.403 2.933 20 30 CFEDMO CC#CC[N@@H+]1CC=C(CNC(=O)c2cc(C)cc(C)c2)CC1 ZINC001001400078 626156305 /nfs/dbraw/zinc/15/63/05/626156305.db2.gz VJDHPOQMJMJOFR-UHFFFAOYSA-N 1 1 296.414 2.689 20 30 CFEDMO C#CCOCC[N@@H+]1CCC[C@H]1c1ccc(OCC)cc1 ZINC000851712196 634482121 /nfs/dbraw/zinc/48/21/21/634482121.db2.gz LCDZKOCMLFWQSH-KRWDZBQOSA-N 1 1 273.376 2.872 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC001002251254 626171221 /nfs/dbraw/zinc/17/12/21/626171221.db2.gz RCVVFEPQOWMQFU-UHFFFAOYSA-N 1 1 296.773 2.772 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ncccc1F ZINC000921923643 626178240 /nfs/dbraw/zinc/17/82/40/626178240.db2.gz ZBGJKHRORBUCQU-UHFFFAOYSA-N 1 1 269.323 2.999 20 30 CFEDMO C#CCOCC[N@@H+]1CCC[C@@H]1c1ccc(OCC)cc1 ZINC000851712198 634482790 /nfs/dbraw/zinc/48/27/90/634482790.db2.gz LCDZKOCMLFWQSH-QGZVFWFLSA-N 1 1 273.376 2.872 20 30 CFEDMO Cc1nc(C[NH2+]CCCC#N)sc1Br ZINC000921983880 626190735 /nfs/dbraw/zinc/19/07/35/626190735.db2.gz DJNGFHMUSWSSOH-UHFFFAOYSA-N 1 1 274.187 2.607 20 30 CFEDMO C[C@@H](CF)[NH2+]Cc1cc(C#N)ccc1Br ZINC000922144282 626217276 /nfs/dbraw/zinc/21/72/76/626217276.db2.gz HJHZPWFBVSPKTA-QMMMGPOBSA-N 1 1 271.133 2.768 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C2(C3CC3)CCC2)CC1 ZINC001003390873 626227013 /nfs/dbraw/zinc/22/70/13/626227013.db2.gz LTAIWLXKGNQDHJ-UHFFFAOYSA-N 1 1 296.842 2.900 20 30 CFEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000922164817 626228147 /nfs/dbraw/zinc/22/81/47/626228147.db2.gz YKQAIAWQHKSAQW-NEPJUHHUSA-N 1 1 264.369 2.795 20 30 CFEDMO CC1(C)CCC[N@H+]1CCNCc1csc(C#N)c1 ZINC000922169147 626228614 /nfs/dbraw/zinc/22/86/14/626228614.db2.gz JUPLSOAILHFNKK-UHFFFAOYSA-N 1 1 263.410 2.584 20 30 CFEDMO CC1(C)CCCN1CC[NH2+]Cc1csc(C#N)c1 ZINC000922169147 626228615 /nfs/dbraw/zinc/22/86/15/626228615.db2.gz JUPLSOAILHFNKK-UHFFFAOYSA-N 1 1 263.410 2.584 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000922179613 626232737 /nfs/dbraw/zinc/23/27/37/626232737.db2.gz YCTUIBONEJFKNB-UHFFFAOYSA-N 1 1 297.406 2.881 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001016401199 626237158 /nfs/dbraw/zinc/23/71/58/626237158.db2.gz DRPROKNSNFZOFW-CYBMUJFWSA-N 1 1 284.359 2.813 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@H]2CC23CCCC3)CC1 ZINC001003905908 626268135 /nfs/dbraw/zinc/26/81/35/626268135.db2.gz YTKABQHUOCIADD-CQSZACIVSA-N 1 1 296.842 2.900 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(NC(=O)C(C2CC2)C2CC2)CC1 ZINC001003931412 626270775 /nfs/dbraw/zinc/27/07/75/626270775.db2.gz ZAZILGQLTQMQQX-UHFFFAOYSA-N 1 1 296.842 2.756 20 30 CFEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccoc2)CC1 ZINC001004349490 626356065 /nfs/dbraw/zinc/35/60/65/626356065.db2.gz DBLSDDHQSVEBQD-INIZCTEOSA-N 1 1 288.391 2.782 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)C)CC1 ZINC001004348368 626356185 /nfs/dbraw/zinc/35/61/85/626356185.db2.gz XKYKZOTXIUGCBV-MRXNPFEDSA-N 1 1 278.440 2.922 20 30 CFEDMO C#CCOCC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000851730989 634496566 /nfs/dbraw/zinc/49/65/66/634496566.db2.gz WOIMHWKZEKWDFX-KRWDZBQOSA-N 1 1 257.377 2.733 20 30 CFEDMO Cc1ccc(C[NH2+]Cc2cc3n(n2)CCCC3)cc1C#N ZINC000922758859 626359734 /nfs/dbraw/zinc/35/97/34/626359734.db2.gz BAXFKQNUOUCELQ-UHFFFAOYSA-N 1 1 280.375 2.689 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CCC2)CC1 ZINC001004378043 626365313 /nfs/dbraw/zinc/36/53/13/626365313.db2.gz DPPBWQADGACLMX-QGZVFWFLSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)/C(C)=C\C)CC1 ZINC001004404059 626370234 /nfs/dbraw/zinc/37/02/34/626370234.db2.gz VQOMWDVDTSVGFW-ZVRDQUNJSA-N 1 1 276.424 2.842 20 30 CFEDMO CC#CC[N@H+]1CCC[C@H]1C1CCN(C(=O)C2(C)CC2)CC1 ZINC001004443475 626379924 /nfs/dbraw/zinc/37/99/24/626379924.db2.gz RLRUUUALJCIQOR-INIZCTEOSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001004548196 626389800 /nfs/dbraw/zinc/38/98/00/626389800.db2.gz UCMXIODUYYMPFV-DJIMGWMZSA-N 1 1 290.451 2.922 20 30 CFEDMO C#CCOCC[N@H+](CC)[C@H](C)c1cccc(OC)c1 ZINC000851736059 634500955 /nfs/dbraw/zinc/50/09/55/634500955.db2.gz LPXJCLHQXIFEEE-CQSZACIVSA-N 1 1 261.365 2.728 20 30 CFEDMO CC[N@@H+](Cc1ccc2c(c1)CCC(=O)N2C)C[C@@H](C)C#N ZINC000186908575 626403429 /nfs/dbraw/zinc/40/34/29/626403429.db2.gz YCXFZTJNBPYYLF-ZDUSSCGKSA-N 1 1 285.391 2.577 20 30 CFEDMO CC[N@H+](Cc1ccc2c(c1)CCC(=O)N2C)C[C@@H](C)C#N ZINC000186908575 626403431 /nfs/dbraw/zinc/40/34/31/626403431.db2.gz YCXFZTJNBPYYLF-ZDUSSCGKSA-N 1 1 285.391 2.577 20 30 CFEDMO CCOCCOCC[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000929331783 626404376 /nfs/dbraw/zinc/40/43/76/626404376.db2.gz WHDCGSYHYKOXPT-OAHLLOKOSA-N 1 1 290.407 2.994 20 30 CFEDMO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)nn1 ZINC000925367283 626409680 /nfs/dbraw/zinc/40/96/80/626409680.db2.gz JNPJZZZIWVSAHQ-ZDUSSCGKSA-N 1 1 299.378 2.612 20 30 CFEDMO C#CCOCC[N@H+](C)C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000851743098 634505152 /nfs/dbraw/zinc/50/51/52/634505152.db2.gz YWAYWLOHMKXWSZ-ROUUACIJSA-N 1 1 287.403 2.736 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2cocc2C)CC1 ZINC001005830985 626429077 /nfs/dbraw/zinc/42/90/77/626429077.db2.gz AEZUFRDERVFBBS-UHFFFAOYSA-N 1 1 296.798 2.877 20 30 CFEDMO N#Cc1ccc(C[N@H+](C[C@H](O)c2ccccn2)C2CC2)cc1 ZINC000851738684 634502673 /nfs/dbraw/zinc/50/26/73/634502673.db2.gz OJRWPMWIGYISRP-SFHVURJKSA-N 1 1 293.370 2.651 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C[C@H]2C[C@H]2C)CC1 ZINC001005930458 626452461 /nfs/dbraw/zinc/45/24/61/626452461.db2.gz OPKDQQYSSNQAHA-DGCLKSJQSA-N 1 1 284.831 2.708 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc3ccsc32)C1 ZINC000923567022 626479751 /nfs/dbraw/zinc/47/97/51/626479751.db2.gz WDQAOBRDRXELPK-CQSZACIVSA-N 1 1 298.411 2.729 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3ccsc32)C1 ZINC000923567022 626479752 /nfs/dbraw/zinc/47/97/52/626479752.db2.gz WDQAOBRDRXELPK-CQSZACIVSA-N 1 1 298.411 2.729 20 30 CFEDMO CCOCCON=C1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000774434923 626481560 /nfs/dbraw/zinc/48/15/60/626481560.db2.gz OLXBYWJHWPHTMK-CQSZACIVSA-N 1 1 276.380 2.690 20 30 CFEDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)CC#N)c1 ZINC000840787027 626481642 /nfs/dbraw/zinc/48/16/42/626481642.db2.gz GZRCQCFYZBYHMC-LLVKDONJSA-N 1 1 290.363 2.769 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000838958194 626515571 /nfs/dbraw/zinc/51/55/71/626515571.db2.gz GQBLTJPGTZZGAL-UHFFFAOYSA-N 1 1 292.382 2.872 20 30 CFEDMO N#C[C@@H]1CCC[C@@H](OC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000839063735 626522630 /nfs/dbraw/zinc/52/26/30/626522630.db2.gz TUBZTIJJEMMHDJ-IUODEOHRSA-N 1 1 296.330 2.506 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839087464 626524139 /nfs/dbraw/zinc/52/41/39/626524139.db2.gz NGIIGTKZFHWITJ-OLZOCXBDSA-N 1 1 268.401 2.655 20 30 CFEDMO C#CCCC[N@@H+]1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839092439 626524245 /nfs/dbraw/zinc/52/42/45/626524245.db2.gz SATPKSBZPYFSNL-GJZGRUSLSA-N 1 1 294.439 2.883 20 30 CFEDMO C#CCCOc1ccc(C[NH2+][C@@H](C)c2ccn(C)n2)cc1 ZINC000839189680 626530317 /nfs/dbraw/zinc/53/03/17/626530317.db2.gz BXAOMPPMTBNZSH-AWEZNQCLSA-N 1 1 283.375 2.673 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000839195929 626531764 /nfs/dbraw/zinc/53/17/64/626531764.db2.gz PMMPASUSAKHYPI-QWHCGFSZSA-N 1 1 264.344 2.617 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839476597 626537714 /nfs/dbraw/zinc/53/77/14/626537714.db2.gz LPHWLNVUPBDOQI-STQMWFEESA-N 1 1 281.400 2.525 20 30 CFEDMO C[C@@H](CCC#N)[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000839464608 626537944 /nfs/dbraw/zinc/53/79/44/626537944.db2.gz YODNDNOLLVMDKY-NSHDSACASA-N 1 1 279.771 2.903 20 30 CFEDMO C[C@@H](CCC#N)[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000839464608 626537945 /nfs/dbraw/zinc/53/79/45/626537945.db2.gz YODNDNOLLVMDKY-NSHDSACASA-N 1 1 279.771 2.903 20 30 CFEDMO C[C@@H](CCC#N)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000839563782 626547315 /nfs/dbraw/zinc/54/73/15/626547315.db2.gz NYJRDUDGXYLYIH-VIFPVBQESA-N 1 1 262.275 2.522 20 30 CFEDMO CC(C)(C)C[C@@H]1CC[N@@H+](CC(=O)NCCC#N)C1(C)C ZINC000839662250 626550200 /nfs/dbraw/zinc/55/02/00/626550200.db2.gz BLLHQFMRHPHXPJ-ZDUSSCGKSA-N 1 1 279.428 2.553 20 30 CFEDMO C#CCCCC(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1 ZINC000757833662 626564395 /nfs/dbraw/zinc/56/43/95/626564395.db2.gz DKGTWAMKCHNFGX-GOSISDBHSA-N 1 1 298.430 2.743 20 30 CFEDMO C=CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000757923114 626568215 /nfs/dbraw/zinc/56/82/15/626568215.db2.gz FMEUQMJYALRPLX-UHFFFAOYSA-N 1 1 272.392 2.674 20 30 CFEDMO CCCC[C@H](ON=C(C)C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000758011039 626572438 /nfs/dbraw/zinc/57/24/38/626572438.db2.gz XEDFRLAJKZAMAH-ZFWWWQNUSA-N 1 1 297.443 2.557 20 30 CFEDMO C[C@@H]1CCCC[C@@H]1NC(=S)NN=C1CCC[N@@H+](C)CC1 ZINC000758095899 626576212 /nfs/dbraw/zinc/57/62/12/626576212.db2.gz NDBKZSBHCIHSGO-OCCSQVGLSA-N 1 1 296.484 2.501 20 30 CFEDMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=NNC2CC2)C3)cc1 ZINC000758127347 626577856 /nfs/dbraw/zinc/57/78/56/626577856.db2.gz OUYVQIFDYFVOGM-CALCHBBNSA-N 1 1 269.392 2.921 20 30 CFEDMO Cc1ccn(C[N@H+](C)CCCc2ccccc2)c(=O)c1C#N ZINC000758196464 626581710 /nfs/dbraw/zinc/58/17/10/626581710.db2.gz KMOQSUMGQRKMJG-UHFFFAOYSA-N 1 1 295.386 2.551 20 30 CFEDMO Cc1ccn(C[N@@H+](C)CCCc2ccccc2)c(=O)c1C#N ZINC000758196464 626581713 /nfs/dbraw/zinc/58/17/13/626581713.db2.gz KMOQSUMGQRKMJG-UHFFFAOYSA-N 1 1 295.386 2.551 20 30 CFEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1Cn1cccc(C#N)c1=O ZINC000758236669 626584198 /nfs/dbraw/zinc/58/41/98/626584198.db2.gz DPXLHPOGEISLGR-UKRRQHHQSA-N 1 1 273.380 2.578 20 30 CFEDMO C#CCCCC(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000759596300 626674374 /nfs/dbraw/zinc/67/43/74/626674374.db2.gz CWSQCJLUQHPODW-AWEZNQCLSA-N 1 1 275.348 2.591 20 30 CFEDMO C=CCCCCCCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000805184533 626679213 /nfs/dbraw/zinc/67/92/13/626679213.db2.gz ORGITISZPFVJNJ-CQSZACIVSA-N 1 1 267.417 2.516 20 30 CFEDMO C#CCOCC[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000851774253 634521092 /nfs/dbraw/zinc/52/10/92/634521092.db2.gz HSRBEOGERYTUDV-UHFFFAOYSA-N 1 1 261.340 2.688 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000760814359 626774445 /nfs/dbraw/zinc/77/44/45/626774445.db2.gz RAAZVFYKWZPHEA-QGZVFWFLSA-N 1 1 285.391 2.631 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000760814359 626774448 /nfs/dbraw/zinc/77/44/48/626774448.db2.gz RAAZVFYKWZPHEA-QGZVFWFLSA-N 1 1 285.391 2.631 20 30 CFEDMO C#CCC[N@@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000760844641 626777171 /nfs/dbraw/zinc/77/71/71/626777171.db2.gz VLJOZPYWOBDRKN-MRXNPFEDSA-N 1 1 256.393 2.837 20 30 CFEDMO CC(C)CC1CC[NH+]([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 ZINC000760921064 626784713 /nfs/dbraw/zinc/78/47/13/626784713.db2.gz NQBOGKAYAAWHAX-QGZVFWFLSA-N 1 1 299.418 2.843 20 30 CFEDMO C=CCCCCCCNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000805218751 626793039 /nfs/dbraw/zinc/79/30/39/626793039.db2.gz LLWNUTRNTAUNFD-CQSZACIVSA-N 1 1 284.469 2.676 20 30 CFEDMO C[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CC[N@H+]1C ZINC000761077805 626797427 /nfs/dbraw/zinc/79/74/27/626797427.db2.gz NMBFYZJAUGWYEK-CYBMUJFWSA-N 1 1 296.336 2.693 20 30 CFEDMO C#CCOCC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000761112648 626806803 /nfs/dbraw/zinc/80/68/03/626806803.db2.gz AFJRBIKYORNJTJ-LBPRGKRZSA-N 1 1 251.757 2.983 20 30 CFEDMO Cc1cccc(C)c1NC(=S)NN=C1C[C@@H](C)[N@@H+](C)C1 ZINC000761793548 626859381 /nfs/dbraw/zinc/85/93/81/626859381.db2.gz NLRRCRWAZPZYDB-GFCCVEGCSA-N 1 1 290.436 2.670 20 30 CFEDMO Cc1cccc(C)c1NC(=S)NN=C1C[C@@H](C)[N@H+](C)C1 ZINC000761793548 626859382 /nfs/dbraw/zinc/85/93/82/626859382.db2.gz NLRRCRWAZPZYDB-GFCCVEGCSA-N 1 1 290.436 2.670 20 30 CFEDMO C#CCCc1noc(C2CCN(c3ccc(C)c[nH+]3)CC2)n1 ZINC000762005805 626878901 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C=CCC[C@@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)C1CC1 ZINC000774230852 627907198 /nfs/dbraw/zinc/90/71/98/627907198.db2.gz UKSXEOWEPKKEHU-UONOGXRCSA-N 1 1 283.437 2.712 20 30 CFEDMO C=CCC[C@@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)C1CC1 ZINC000774230852 627907200 /nfs/dbraw/zinc/90/72/00/627907200.db2.gz UKSXEOWEPKKEHU-UONOGXRCSA-N 1 1 283.437 2.712 20 30 CFEDMO C(=[NH+]OC1CCCC1)c1ccc(N2CCOCC2)s1 ZINC000774602173 627941056 /nfs/dbraw/zinc/94/10/56/627941056.db2.gz FWATWGPFZDRPFN-UHFFFAOYSA-N 1 1 280.393 2.878 20 30 CFEDMO Cn1cc[nH+]c1[C@@H]1CCCN([C@H](C#N)c2ccccc2)C1 ZINC000851989187 634617535 /nfs/dbraw/zinc/61/75/35/634617535.db2.gz GLPHNMFMDLLZEZ-HZPDHXFCSA-N 1 1 280.375 2.864 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)[C@@H]1CCCO1 ZINC000775343875 628013660 /nfs/dbraw/zinc/01/36/60/628013660.db2.gz ZAMYIRJQEGANKM-HOTGVXAUSA-N 1 1 285.387 2.671 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1F)[C@@H]1CCCO1 ZINC000775571400 628039528 /nfs/dbraw/zinc/03/95/28/628039528.db2.gz GQTWDJHWSZMGIC-UVBJJODRSA-N 1 1 277.339 2.666 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1cc(F)c(F)c(F)c1)[C@@H]1CCCO1 ZINC000775573025 628040801 /nfs/dbraw/zinc/04/08/01/628040801.db2.gz FLYZUMNWTIABTA-IIMNLJJBSA-N 1 1 283.293 2.935 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)[C@H]1CCCO1 ZINC000775573026 628040985 /nfs/dbraw/zinc/04/09/85/628040985.db2.gz FLYZUMNWTIABTA-QCZZGDTMSA-N 1 1 283.293 2.935 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1OC)[C@@H]1CCCO1 ZINC000775574809 628042294 /nfs/dbraw/zinc/04/22/94/628042294.db2.gz RYYLAKNGXOKGSL-NUTKFTJISA-N 1 1 289.375 2.535 20 30 CFEDMO C[C@@H]1COCC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000775640641 628048557 /nfs/dbraw/zinc/04/85/57/628048557.db2.gz HULCFICQFKXDQD-AWEZNQCLSA-N 1 1 272.392 2.956 20 30 CFEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000775734595 628060294 /nfs/dbraw/zinc/06/02/94/628060294.db2.gz ZOOXIQRWHZHHIA-CJNGLKHVSA-N 1 1 286.375 2.894 20 30 CFEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCCC[C@@H](C)C1 ZINC000775734595 628060296 /nfs/dbraw/zinc/06/02/96/628060296.db2.gz ZOOXIQRWHZHHIA-CJNGLKHVSA-N 1 1 286.375 2.894 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1ccccc1OC(F)F)[C@H]1CCCO1 ZINC000775789198 628068390 /nfs/dbraw/zinc/06/83/90/628068390.db2.gz KZHCGHXGRFLPSD-TZMCWYRMSA-N 1 1 281.302 2.558 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)[C@H]1CCCO1 ZINC000775802124 628070741 /nfs/dbraw/zinc/07/07/41/628070741.db2.gz YZXMYCNUZJOPKJ-WDEREUQCSA-N 1 1 285.174 2.659 20 30 CFEDMO CCCCCCCC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000775888902 628080422 /nfs/dbraw/zinc/08/04/22/628080422.db2.gz AGAYYSBLVTZEPF-UHFFFAOYSA-N 1 1 252.402 2.725 20 30 CFEDMO C#CCOc1ccccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000775940383 628086540 /nfs/dbraw/zinc/08/65/40/628086540.db2.gz GFFJKYZZVTZAHV-OKILXGFUSA-N 1 1 286.375 2.510 20 30 CFEDMO COc1ccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)nc1 ZINC000776009491 628094354 /nfs/dbraw/zinc/09/43/54/628094354.db2.gz XNJNZPVSJXCLMN-UHFFFAOYSA-N 1 1 279.343 2.741 20 30 CFEDMO C[C@@H](NCC[N@@H+]1CCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776163772 628109912 /nfs/dbraw/zinc/10/99/12/628109912.db2.gz WEUSNHMCSAKTGG-LSDHHAIUSA-N 1 1 287.407 2.724 20 30 CFEDMO C[C@@H](NCC[N@H+]1CCC[C@@H]1C)c1ccc(OCC#N)cc1 ZINC000776163772 628109914 /nfs/dbraw/zinc/10/99/14/628109914.db2.gz WEUSNHMCSAKTGG-LSDHHAIUSA-N 1 1 287.407 2.724 20 30 CFEDMO COc1ncccc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000776726876 628171440 /nfs/dbraw/zinc/17/14/40/628171440.db2.gz PEDJZHIBHJQMMA-LLVKDONJSA-N 1 1 285.322 2.952 20 30 CFEDMO C=CCSc1ccccc1C(=O)N1CC[N@H+](C)[C@@H](C)C1 ZINC000777150569 628204589 /nfs/dbraw/zinc/20/45/89/628204589.db2.gz YNENLYDXLPBVGH-ZDUSSCGKSA-N 1 1 290.432 2.741 20 30 CFEDMO C=CCSc1ccccc1C(=O)N1CC[N@@H+](C)[C@@H](C)C1 ZINC000777150569 628204593 /nfs/dbraw/zinc/20/45/93/628204593.db2.gz YNENLYDXLPBVGH-ZDUSSCGKSA-N 1 1 290.432 2.741 20 30 CFEDMO CC[N@H+]1CCC(=NOCCC(F)(F)F)[C@@H](C)C1 ZINC000777462782 628228319 /nfs/dbraw/zinc/22/83/19/628228319.db2.gz LVJVCFFZLNLKFF-VIFPVBQESA-N 1 1 252.280 2.673 20 30 CFEDMO CCCCCC[N@H+](C)CC(=O)O[C@@H](C)C(C)(C)C#N ZINC000778691236 628325832 /nfs/dbraw/zinc/32/58/32/628325832.db2.gz YEXOMKNOAARYJK-ZDUSSCGKSA-N 1 1 268.401 2.980 20 30 CFEDMO CCCCCC[N@@H+](C)CC(=O)O[C@@H](C)C(C)(C)C#N ZINC000778691236 628325836 /nfs/dbraw/zinc/32/58/36/628325836.db2.gz YEXOMKNOAARYJK-ZDUSSCGKSA-N 1 1 268.401 2.980 20 30 CFEDMO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000779119386 628353848 /nfs/dbraw/zinc/35/38/48/628353848.db2.gz ARVQLLLKEKRPGT-SECBINFHSA-N 1 1 258.300 2.580 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000779148694 628355261 /nfs/dbraw/zinc/35/52/61/628355261.db2.gz JBFMFIJYZHLJTA-UKRRQHHQSA-N 1 1 261.340 2.879 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000779148694 628355262 /nfs/dbraw/zinc/35/52/62/628355262.db2.gz JBFMFIJYZHLJTA-UKRRQHHQSA-N 1 1 261.340 2.879 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+](CCC)CCO ZINC000779147890 628355288 /nfs/dbraw/zinc/35/52/88/628355288.db2.gz QFYNGYNTLUCAHD-UHFFFAOYSA-N 1 1 281.783 2.556 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](CCC)CCO ZINC000779147890 628355289 /nfs/dbraw/zinc/35/52/89/628355289.db2.gz QFYNGYNTLUCAHD-UHFFFAOYSA-N 1 1 281.783 2.556 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)C[C@H]1CCOC1 ZINC000779164985 628357711 /nfs/dbraw/zinc/35/77/11/628357711.db2.gz WSGAKRTYLXGIPQ-CYBMUJFWSA-N 1 1 293.794 2.820 20 30 CFEDMO Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H](C#N)CCC#N)CCC2 ZINC000779752132 628399844 /nfs/dbraw/zinc/39/98/44/628399844.db2.gz IAVUMRWBWSWTMD-NEPJUHHUSA-N 1 1 274.393 2.862 20 30 CFEDMO CC[C@H]1C[C@H](C=[NH+]n2cc(Br)cn2)CCO1 ZINC000779784953 628403606 /nfs/dbraw/zinc/40/36/06/628403606.db2.gz TZDHNNPERXBNJM-KOLCDFICSA-N 1 1 286.173 2.685 20 30 CFEDMO CC(=NNC1=[NH+]C[C@H](C)N1)c1cc2cc(C)c(C)cc2o1 ZINC000779794492 628407333 /nfs/dbraw/zinc/40/73/33/628407333.db2.gz JDYBKLPXLCKOAB-NSHDSACASA-N 1 1 284.363 2.711 20 30 CFEDMO Fc1cc2c(c(F)c1)CCC2=NNc1cc[nH+]cc1 ZINC000779806980 628408142 /nfs/dbraw/zinc/40/81/42/628408142.db2.gz KTRQFXHFYOKZAC-UHFFFAOYSA-N 1 1 259.259 2.544 20 30 CFEDMO C(=NNc1cc[nH+]cc1)c1coc(-c2ccccc2)n1 ZINC000779809240 628408611 /nfs/dbraw/zinc/40/86/11/628408611.db2.gz VKINSSQVCVIQNC-UHFFFAOYSA-N 1 1 264.288 2.605 20 30 CFEDMO C(=NNc1cc[nH+]cc1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000779809005 628408626 /nfs/dbraw/zinc/40/86/26/628408626.db2.gz REKYJZKAGCBYRI-KRWDZBQOSA-N 1 1 297.358 2.507 20 30 CFEDMO COc1cc(C=NNc2cc[nH+]cc2)cc(Cl)c1OC ZINC000779809228 628408817 /nfs/dbraw/zinc/40/88/17/628408817.db2.gz NAJQXZRBRYYZLC-UHFFFAOYSA-N 1 1 291.738 2.620 20 30 CFEDMO Cc1ccc2[nH]cc(C=NNc3cc[nH+]cc3)c2c1 ZINC000779809226 628408849 /nfs/dbraw/zinc/40/88/49/628408849.db2.gz HMKNHYHCMDCZGF-UHFFFAOYSA-N 1 1 250.305 2.739 20 30 CFEDMO CC(C)(C)c1nc(C=NNc2cc[nH+]cc2)cs1 ZINC000779808598 628408866 /nfs/dbraw/zinc/40/88/66/628408866.db2.gz DANBSUAFZVZLBC-UHFFFAOYSA-N 1 1 260.366 2.704 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000779811749 628409952 /nfs/dbraw/zinc/40/99/52/628409952.db2.gz TXJREVLQDFNFQI-UHFFFAOYSA-N 1 1 290.710 2.901 20 30 CFEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(N(C)C2CC2)n1 ZINC000852099665 634654367 /nfs/dbraw/zinc/65/43/67/634654367.db2.gz CBFFIILLPPKACL-CQSZACIVSA-N 1 1 263.410 2.633 20 30 CFEDMO C#CCCCCCC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000780400911 628461709 /nfs/dbraw/zinc/46/17/09/628461709.db2.gz REYKLOKQJPSLHK-HZPDHXFCSA-N 1 1 278.440 2.807 20 30 CFEDMO C#CCCCCCC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000780400909 628462075 /nfs/dbraw/zinc/46/20/75/628462075.db2.gz REYKLOKQJPSLHK-CVEARBPZSA-N 1 1 278.440 2.807 20 30 CFEDMO C=C(C)C[N@H+](C)CN1C[C@@](C)(C2CCCC2)CC1=O ZINC000780447690 628465034 /nfs/dbraw/zinc/46/50/34/628465034.db2.gz JXQNAOVLMBOXHG-INIZCTEOSA-N 1 1 264.413 2.881 20 30 CFEDMO C=C(C)C[N@@H+](C)CN1C[C@@](C)(C2CCCC2)CC1=O ZINC000780447690 628465035 /nfs/dbraw/zinc/46/50/35/628465035.db2.gz JXQNAOVLMBOXHG-INIZCTEOSA-N 1 1 264.413 2.881 20 30 CFEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000852102779 634657951 /nfs/dbraw/zinc/65/79/51/634657951.db2.gz PSGNFDXLJJDDCW-XJKSGUPXSA-N 1 1 268.364 2.720 20 30 CFEDMO C#CCCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000780497232 628468837 /nfs/dbraw/zinc/46/88/37/628468837.db2.gz FSSRTLFWAGUVTO-HNNXBMFYSA-N 1 1 264.413 2.561 20 30 CFEDMO C#CCCCCCC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000780528005 628472051 /nfs/dbraw/zinc/47/20/51/628472051.db2.gz ADDGGJAZPFZVGK-UHFFFAOYSA-N 1 1 287.407 2.892 20 30 CFEDMO Cc1cn2c(C[NH2+]Cc3ccc(C#N)cn3)c(C)nc2s1 ZINC000780556729 628475838 /nfs/dbraw/zinc/47/58/38/628475838.db2.gz QBDSGNVQQLKAQY-UHFFFAOYSA-N 1 1 297.387 2.569 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2nccc3ccccc32)nc1 ZINC000780556686 628475923 /nfs/dbraw/zinc/47/59/23/628475923.db2.gz PKMITBRLNNFSLH-UHFFFAOYSA-N 1 1 274.327 2.791 20 30 CFEDMO C#CCCCCCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000780649689 628485412 /nfs/dbraw/zinc/48/54/12/628485412.db2.gz MOLMDHIFKRYRSR-CVEARBPZSA-N 1 1 276.424 2.513 20 30 CFEDMO C=C(Cl)CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000780730910 628490539 /nfs/dbraw/zinc/49/05/39/628490539.db2.gz SYPIYCKRYGZQBM-UHFFFAOYSA-N 1 1 270.726 2.745 20 30 CFEDMO CON=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000781124048 628523196 /nfs/dbraw/zinc/52/31/96/628523196.db2.gz TZWBJQPUJIBVOM-LSDHHAIUSA-N 1 1 258.365 2.921 20 30 CFEDMO Cc1cnc(=S)n(C[NH+]2CCC(CC#N)CC2)c1 ZINC000781572154 628560934 /nfs/dbraw/zinc/56/09/34/628560934.db2.gz OBIKIVBAHDNWDC-UHFFFAOYSA-N 1 1 262.382 2.504 20 30 CFEDMO N#CCC1CC[NH+](CN2C(=O)C[C@H]2c2ccccc2)CC1 ZINC000781571025 628561085 /nfs/dbraw/zinc/56/10/85/628561085.db2.gz FHZBDNMYGJCHJB-INIZCTEOSA-N 1 1 283.375 2.543 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCOC(=O)CCCCCC#N ZINC000805696121 628573787 /nfs/dbraw/zinc/57/37/87/628573787.db2.gz WLLMZUASIOEFQI-AWEZNQCLSA-N 1 1 266.385 2.878 20 30 CFEDMO N#CCC1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000782087139 628603175 /nfs/dbraw/zinc/60/31/75/628603175.db2.gz BXGWTQVGWWCRCZ-UHFFFAOYSA-N 1 1 255.774 2.922 20 30 CFEDMO CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)o1 ZINC000783300461 628698936 /nfs/dbraw/zinc/69/89/36/628698936.db2.gz MMUVUSKHTRLGER-LLVKDONJSA-N 1 1 255.321 2.959 20 30 CFEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000805749307 628729873 /nfs/dbraw/zinc/72/98/73/628729873.db2.gz WNKKZCRFYHBAOP-QZTJIDSGSA-N 1 1 293.370 2.824 20 30 CFEDMO CC(=O)OC1CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000784342053 628807600 /nfs/dbraw/zinc/80/76/00/628807600.db2.gz XWNJYMACBSKBQC-UHFFFAOYSA-N 1 1 292.766 2.739 20 30 CFEDMO C[C@@]1(C#N)CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000784452055 628817810 /nfs/dbraw/zinc/81/78/10/628817810.db2.gz NWRKRNLBZZXWID-KRWDZBQOSA-N 1 1 283.375 2.953 20 30 CFEDMO C[C@@]1(C#N)CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000784452055 628817813 /nfs/dbraw/zinc/81/78/13/628817813.db2.gz NWRKRNLBZZXWID-KRWDZBQOSA-N 1 1 283.375 2.953 20 30 CFEDMO C[C@]1(C#N)CCC[N@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000784452056 628817934 /nfs/dbraw/zinc/81/79/34/628817934.db2.gz NWRKRNLBZZXWID-QGZVFWFLSA-N 1 1 283.375 2.953 20 30 CFEDMO C[C@]1(C#N)CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000784452056 628817937 /nfs/dbraw/zinc/81/79/37/628817937.db2.gz NWRKRNLBZZXWID-QGZVFWFLSA-N 1 1 283.375 2.953 20 30 CFEDMO CN(C)c1cc[nH+]c(N[C@@H]2CCc3cc(C#N)ccc32)n1 ZINC000784832214 628844329 /nfs/dbraw/zinc/84/43/29/628844329.db2.gz KUWMNRVHSPLSPK-CQSZACIVSA-N 1 1 279.347 2.514 20 30 CFEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(CC#N)cc1 ZINC000785333425 628876402 /nfs/dbraw/zinc/87/64/02/628876402.db2.gz MRKXXFPRFZMQBD-MRXNPFEDSA-N 1 1 286.375 2.670 20 30 CFEDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(CC#N)cc1 ZINC000785333425 628876403 /nfs/dbraw/zinc/87/64/03/628876403.db2.gz MRKXXFPRFZMQBD-MRXNPFEDSA-N 1 1 286.375 2.670 20 30 CFEDMO C#C[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000852216324 634692659 /nfs/dbraw/zinc/69/26/59/634692659.db2.gz ZOJFTGIKPAMQBS-HOTGVXAUSA-N 1 1 290.451 2.616 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852216836 634692972 /nfs/dbraw/zinc/69/29/72/634692972.db2.gz OASGJOAFKRFFGG-NSHDSACASA-N 1 1 262.284 2.579 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852216836 634692977 /nfs/dbraw/zinc/69/29/77/634692977.db2.gz OASGJOAFKRFFGG-NSHDSACASA-N 1 1 262.284 2.579 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000785998266 628929643 /nfs/dbraw/zinc/92/96/43/628929643.db2.gz BDMFAKKPTCZKEE-HZPDHXFCSA-N 1 1 256.349 2.632 20 30 CFEDMO C=CCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000786102690 628936992 /nfs/dbraw/zinc/93/69/92/628936992.db2.gz RNZBKPJXWHLVCK-UHFFFAOYSA-N 1 1 274.324 2.718 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1csc(Cl)c1 ZINC000786456047 628958056 /nfs/dbraw/zinc/95/80/56/628958056.db2.gz JWAFYPZDLFFUMI-LLVKDONJSA-N 1 1 283.780 2.656 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1csc(Cl)c1 ZINC000786456047 628958060 /nfs/dbraw/zinc/95/80/60/628958060.db2.gz JWAFYPZDLFFUMI-LLVKDONJSA-N 1 1 283.780 2.656 20 30 CFEDMO C[N@H+](CCON=C1CCC1)Cc1ccc(F)cc1 ZINC000786741321 628976855 /nfs/dbraw/zinc/97/68/55/628976855.db2.gz LNHWFWOSNHOBTP-UHFFFAOYSA-N 1 1 250.317 2.814 20 30 CFEDMO C[N@@H+](CCON=C1CCC1)Cc1ccc(F)cc1 ZINC000786741321 628976856 /nfs/dbraw/zinc/97/68/56/628976856.db2.gz LNHWFWOSNHOBTP-UHFFFAOYSA-N 1 1 250.317 2.814 20 30 CFEDMO C=C(CC)COC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786877304 628982688 /nfs/dbraw/zinc/98/26/88/628982688.db2.gz CQNSFIJEWBOWOA-AWEZNQCLSA-N 1 1 251.370 2.903 20 30 CFEDMO C=CC[N@H+](CCOCC(F)(F)C(F)F)C(C)C ZINC000787184538 628997855 /nfs/dbraw/zinc/99/78/55/628997855.db2.gz QQHSVXVPKNUYAJ-UHFFFAOYSA-N 1 1 257.271 2.800 20 30 CFEDMO CCCCCCCC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000787333248 629008085 /nfs/dbraw/zinc/00/80/85/629008085.db2.gz XNJOFVAMMRZNEC-RRFJBIMHSA-N 1 1 266.429 2.933 20 30 CFEDMO CCCCCCCC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000787333252 629008226 /nfs/dbraw/zinc/00/82/26/629008226.db2.gz XNJOFVAMMRZNEC-ZNMIVQPWSA-N 1 1 266.429 2.933 20 30 CFEDMO 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277.412 2.543 20 30 CFEDMO COC1(C=[NH+]n2cnnc2-c2ccccc2)CCCC1 ZINC000790155413 629214031 /nfs/dbraw/zinc/21/40/31/629214031.db2.gz JJWHNATWOBNIAB-UHFFFAOYSA-N 1 1 270.336 2.738 20 30 CFEDMO CC[C@H](C)NN=C1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000790190878 629217920 /nfs/dbraw/zinc/21/79/20/629217920.db2.gz RVEWXIREVDHXLT-KBPBESRZSA-N 1 1 274.412 2.668 20 30 CFEDMO C[C@H]1CC(N=Nc2cccc(F)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000790310790 629230688 /nfs/dbraw/zinc/23/06/88/629230688.db2.gz PSDQVBNMFQLVNV-VIFPVBQESA-N 1 1 292.314 2.758 20 30 CFEDMO COc1ccc(O)c(/C=N\C[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000790598391 629251330 /nfs/dbraw/zinc/25/13/30/629251330.db2.gz LFFJXUAPUDWXPV-GYXHFJGISA-N 1 1 290.407 2.940 20 30 CFEDMO CC(C)(C)OC1CC([N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000852319286 634719914 /nfs/dbraw/zinc/71/99/14/634719914.db2.gz JKSYNCYLECUCLI-HSBZDZAISA-N 1 1 250.386 2.958 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000852319023 634719951 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N#C[C@]1(c2ccccn2)CCC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000852331623 634723118 /nfs/dbraw/zinc/72/31/18/634723118.db2.gz NRRSFFLNEJZCMG-SJLPKXTDSA-N 1 1 299.418 2.755 20 30 CFEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000852331624 634723357 /nfs/dbraw/zinc/72/33/57/634723357.db2.gz NRRSFFLNEJZCMG-WMZOPIPTSA-N 1 1 299.418 2.755 20 30 CFEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000852331624 634723361 /nfs/dbraw/zinc/72/33/61/634723361.db2.gz NRRSFFLNEJZCMG-WMZOPIPTSA-N 1 1 299.418 2.755 20 30 CFEDMO CSCCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852329238 634723791 /nfs/dbraw/zinc/72/37/91/634723791.db2.gz WRIZWLJKYIVQAB-OAHLLOKOSA-N 1 1 275.421 2.692 20 30 CFEDMO CSCCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852329238 634723796 /nfs/dbraw/zinc/72/37/96/634723796.db2.gz WRIZWLJKYIVQAB-OAHLLOKOSA-N 1 1 275.421 2.692 20 30 CFEDMO COC1(CC[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)CCC1 ZINC000852333596 634724420 /nfs/dbraw/zinc/72/44/20/634724420.db2.gz QDHYMVVNXRMDGB-KRWDZBQOSA-N 1 1 299.418 2.898 20 30 CFEDMO COC1(CC[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)CCC1 ZINC000852333596 634724426 /nfs/dbraw/zinc/72/44/26/634724426.db2.gz QDHYMVVNXRMDGB-KRWDZBQOSA-N 1 1 299.418 2.898 20 30 CFEDMO C#CCC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791642667 629341279 /nfs/dbraw/zinc/34/12/79/629341279.db2.gz QANOHLLPQOGWFS-MRXNPFEDSA-N 1 1 271.360 2.608 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC000791642667 629341288 /nfs/dbraw/zinc/34/12/88/629341288.db2.gz QANOHLLPQOGWFS-MRXNPFEDSA-N 1 1 271.360 2.608 20 30 CFEDMO C#C[C@H](CCC)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000791743873 629351758 /nfs/dbraw/zinc/35/17/58/629351758.db2.gz UMMJRGDZAIWXSL-CVEARBPZSA-N 1 1 272.392 2.598 20 30 CFEDMO C=CC[N@@H+](Cc1ccc2c(c1)COC2)[C@@H](C)COC ZINC000852356367 634731376 /nfs/dbraw/zinc/73/13/76/634731376.db2.gz CKHFXJHZIUOBJE-ZDUSSCGKSA-N 1 1 261.365 2.740 20 30 CFEDMO C=CC[N@@H+](Cc1ccc(Cl)nc1)[C@@H](C)COC ZINC000852356952 634731903 /nfs/dbraw/zinc/73/19/03/634731903.db2.gz SMYNGBIACZGPPP-NSHDSACASA-N 1 1 254.761 2.758 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1ccc(F)c(C#N)c1 ZINC000792305362 629418959 /nfs/dbraw/zinc/41/89/59/629418959.db2.gz JNVLPFJQLILWDG-AWEZNQCLSA-N 1 1 290.338 2.729 20 30 CFEDMO C=CCC[N@H+](C)CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000792302008 629419026 /nfs/dbraw/zinc/41/90/26/629419026.db2.gz PDWCXGGMDYBOIX-UHFFFAOYSA-N 1 1 275.396 2.589 20 30 CFEDMO C=C(Cl)C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000793048136 629479811 /nfs/dbraw/zinc/47/98/11/629479811.db2.gz HZAMVMJHTMDTOD-UHFFFAOYSA-N 1 1 265.719 2.854 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852410645 634739858 /nfs/dbraw/zinc/73/98/58/634739858.db2.gz ONUYXWSBNGNTHR-CZUORRHYSA-N 1 1 290.363 2.916 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000852410023 634739920 /nfs/dbraw/zinc/73/99/20/634739920.db2.gz FZONBZNIENPQSH-UONOGXRCSA-N 1 1 253.386 2.816 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000852410078 634740032 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/nfs/dbraw/zinc/91/99/03/629919903.db2.gz YYOVLJCAGQPABI-MRXNPFEDSA-N 1 1 251.333 2.639 20 30 CFEDMO C=C(C)C[N@H+](CCO[C@@H](C)C#N)Cc1cnn(C(C)C)c1 ZINC000796453697 629919927 /nfs/dbraw/zinc/91/99/27/629919927.db2.gz MKQCKHHRXNAKRM-HNNXBMFYSA-N 1 1 290.411 2.771 20 30 CFEDMO CCCCCCC[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000796554368 629934781 /nfs/dbraw/zinc/93/47/81/629934781.db2.gz IACYJERSYIWHJA-CABCVRRESA-N 1 1 255.402 2.837 20 30 CFEDMO C[N@H+]1CC[C@H](NCc2cc(C#N)ccc2F)[C@H]2CCC[C@H]21 ZINC000796825247 629974012 /nfs/dbraw/zinc/97/40/12/629974012.db2.gz DLMQGGRJEIPVOU-HYVNUMGLSA-N 1 1 287.382 2.660 20 30 CFEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1NC(C)=O ZINC000797605332 630088755 /nfs/dbraw/zinc/08/87/55/630088755.db2.gz NJPCCDARUCJVDL-LLVKDONJSA-N 1 1 287.363 2.608 20 30 CFEDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000798195782 630163936 /nfs/dbraw/zinc/16/39/36/630163936.db2.gz PTWLBZSYMSWFLR-IHRRRGAJSA-N 1 1 293.411 2.525 20 30 CFEDMO C#CCC(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000839852709 630179319 /nfs/dbraw/zinc/17/93/19/630179319.db2.gz FRRKNYGIADWMLV-MRXNPFEDSA-N 1 1 298.430 2.769 20 30 CFEDMO C#CCC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000839852709 630179329 /nfs/dbraw/zinc/17/93/29/630179329.db2.gz FRRKNYGIADWMLV-MRXNPFEDSA-N 1 1 298.430 2.769 20 30 CFEDMO C[C@H]([NH2+]Cc1cnc(Cl)cn1)c1cccc(C#N)c1 ZINC000799154708 630280684 /nfs/dbraw/zinc/28/06/84/630280684.db2.gz FPCISUMLTKIYIG-JTQLQIEISA-N 1 1 272.739 2.852 20 30 CFEDMO O=C1C=C([NH2+]Nc2cccc(Cl)c2)[C@@H]2CCCN12 ZINC000799465674 630310944 /nfs/dbraw/zinc/31/09/44/630310944.db2.gz MJLNEUYYYXRIOX-LBPRGKRZSA-N 1 1 263.728 2.503 20 30 CFEDMO O=C1C=C([NH2+]Nc2ccc(Cl)cc2)[C@@H]2CCCCN12 ZINC000799464088 630311082 /nfs/dbraw/zinc/31/10/82/630311082.db2.gz QENVIJSYULDNQZ-ZDUSSCGKSA-N 1 1 277.755 2.893 20 30 CFEDMO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1C#N ZINC000799591319 630323226 /nfs/dbraw/zinc/32/32/26/630323226.db2.gz IHRODSUTMQIWFZ-HNNXBMFYSA-N 1 1 299.418 2.717 20 30 CFEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](C)C1 ZINC000799735989 630341928 /nfs/dbraw/zinc/34/19/28/630341928.db2.gz FHDVNBILLWADFL-JKIFEVAISA-N 1 1 288.391 2.977 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1cnn(C2CCCC2)c1 ZINC000799884300 630351634 /nfs/dbraw/zinc/35/16/34/630351634.db2.gz KVKOFXWFMALQOY-UHFFFAOYSA-N 1 1 269.352 2.651 20 30 CFEDMO C[C@@]1(C#N)CC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000852686952 634807128 /nfs/dbraw/zinc/80/71/28/634807128.db2.gz NZYYEKBGATVFFH-KBPBESRZSA-N 1 1 264.756 2.609 20 30 CFEDMO C[C@@]1(C#N)CC[N@@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000852686952 634807131 /nfs/dbraw/zinc/80/71/31/634807131.db2.gz NZYYEKBGATVFFH-KBPBESRZSA-N 1 1 264.756 2.609 20 30 CFEDMO CCN(C)c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000852688188 634807425 /nfs/dbraw/zinc/80/74/25/634807425.db2.gz ZDOSBRKOXJFXRL-INIZCTEOSA-N 1 1 257.381 2.878 20 30 CFEDMO CCN(C)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000852688188 634807426 /nfs/dbraw/zinc/80/74/26/634807426.db2.gz ZDOSBRKOXJFXRL-INIZCTEOSA-N 1 1 257.381 2.878 20 30 CFEDMO C#CCNC(=O)C[N@@H+](C(C)C)[C@H](CC)c1ccccc1 ZINC000852693796 634809324 /nfs/dbraw/zinc/80/93/24/634809324.db2.gz LMDDKHUMVDFYEA-MRXNPFEDSA-N 1 1 272.392 2.598 20 30 CFEDMO Brc1cnn([NH+]=C2CCC[C@H]3C[C@@H]23)c1 ZINC000800814784 630407552 /nfs/dbraw/zinc/40/75/52/630407552.db2.gz YLHRJLIHRSFQPY-IONNQARKSA-N 1 1 254.131 2.670 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000852712273 634811662 /nfs/dbraw/zinc/81/16/62/634811662.db2.gz MVIRHELHAFLLCN-UKRRQHHQSA-N 1 1 250.386 2.960 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000801910703 630484523 /nfs/dbraw/zinc/48/45/23/630484523.db2.gz VSLFACDJSORKFN-LBPRGKRZSA-N 1 1 262.328 2.719 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000801910261 630484984 /nfs/dbraw/zinc/48/49/84/630484984.db2.gz YPGCKKBPMMDXHX-HNNXBMFYSA-N 1 1 287.407 2.647 20 30 CFEDMO COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)CCO[C@H](C)C#N ZINC000801913503 630485864 /nfs/dbraw/zinc/48/58/64/630485864.db2.gz FUMYXQXCHHJWGR-DYVFJYSZSA-N 1 1 288.391 2.933 20 30 CFEDMO CCC[N@@H+](CCO[C@@H](C)C#N)Cc1ccc(C#N)cc1 ZINC000801913962 630486012 /nfs/dbraw/zinc/48/60/12/630486012.db2.gz CVRHLMTYNOMWFI-AWEZNQCLSA-N 1 1 271.364 2.699 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCSC[C@H]1c1ccccc1 ZINC000801922364 630488599 /nfs/dbraw/zinc/48/85/99/630488599.db2.gz VHHCNMVJXKPYPS-HIFRSBDPSA-N 1 1 276.405 2.705 20 30 CFEDMO Cc1ccccc1C[C@H]1CCC[N@@H+]1CCO[C@H](C)C#N ZINC000801922186 630488680 /nfs/dbraw/zinc/48/86/80/630488680.db2.gz RSUHVMXCIOYRRO-NVXWUHKLSA-N 1 1 272.392 2.931 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000801923049 630488696 /nfs/dbraw/zinc/48/86/96/630488696.db2.gz XMSQLRMGXDKICJ-HIFRSBDPSA-N 1 1 276.355 2.619 20 30 CFEDMO C#CC[N@@H+](CC)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801923990 630489321 /nfs/dbraw/zinc/48/93/21/630489321.db2.gz HTGUXBANTRYBJA-HNNXBMFYSA-N 1 1 294.439 2.979 20 30 CFEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCO[C@H](C)C#N)CC3 ZINC000801932369 630490824 /nfs/dbraw/zinc/49/08/24/630490824.db2.gz LHCXALYIIRJZIA-CYBMUJFWSA-N 1 1 283.375 2.763 20 30 CFEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCO[C@H](C)C#N)CC3 ZINC000801932369 630490826 /nfs/dbraw/zinc/49/08/26/630490826.db2.gz LHCXALYIIRJZIA-CYBMUJFWSA-N 1 1 283.375 2.763 20 30 CFEDMO CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCO[C@@H](C)C#N)C1(C)C ZINC000801933766 630490882 /nfs/dbraw/zinc/49/08/82/630490882.db2.gz CPVODNOAJZRXTP-RRFJBIMHSA-N 1 1 282.428 2.831 20 30 CFEDMO C[C@H](C#N)OCC[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000801936733 630491365 /nfs/dbraw/zinc/49/13/65/630491365.db2.gz YFYKZFNVHJZUGR-LLVKDONJSA-N 1 1 287.388 2.624 20 30 CFEDMO COc1ccc2c(c1)C[C@H](C)[N@H+](CCO[C@@H](C)C#N)[C@H]2C ZINC000801938787 630492074 /nfs/dbraw/zinc/49/20/74/630492074.db2.gz LSBURBGCUFZHFP-IHRRRGAJSA-N 1 1 288.391 2.931 20 30 CFEDMO CCC1(CC)C[N@@H+](CCO[C@H](C)C#N)CCS1 ZINC000801941308 630492675 /nfs/dbraw/zinc/49/26/75/630492675.db2.gz LEVOZSNWJHZWFE-GFCCVEGCSA-N 1 1 256.415 2.523 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000801942590 630492699 /nfs/dbraw/zinc/49/26/99/630492699.db2.gz TWNOWUHHICEDCK-GFCCVEGCSA-N 1 1 292.329 2.983 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+]1CC=C(c2c(F)cccc2F)CC1 ZINC000801942590 630492702 /nfs/dbraw/zinc/49/27/02/630492702.db2.gz TWNOWUHHICEDCK-GFCCVEGCSA-N 1 1 292.329 2.983 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000801942023 630492848 /nfs/dbraw/zinc/49/28/48/630492848.db2.gz GBYHZPSIDRPHRI-VXGBXAGGSA-N 1 1 280.318 2.683 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000843092493 630532768 /nfs/dbraw/zinc/53/27/68/630532768.db2.gz KETBGNNRPSALAD-YGRLFVJLSA-N 1 1 295.745 2.546 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)CN1C[C@@H](C)[C@H](C)C1=O ZINC000839977147 630537502 /nfs/dbraw/zinc/53/75/02/630537502.db2.gz VNHKGBDHOLPRHI-CVEARBPZSA-N 1 1 286.419 2.789 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)CN1C[C@@H](C)[C@H](C)C1=O ZINC000839977147 630537505 /nfs/dbraw/zinc/53/75/05/630537505.db2.gz VNHKGBDHOLPRHI-CVEARBPZSA-N 1 1 286.419 2.789 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1cc(Cl)cc2c1OCC2 ZINC000852749187 634823099 /nfs/dbraw/zinc/82/30/99/634823099.db2.gz RUEFLKJIMXASNA-UHFFFAOYSA-N 1 1 293.794 2.747 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1cc2ccccc2o1 ZINC000852752373 634825546 /nfs/dbraw/zinc/82/55/46/634825546.db2.gz VQLKXCLOXVKPCZ-UHFFFAOYSA-N 1 1 257.333 2.905 20 30 CFEDMO C#CCC[N@@H+](CCOC)CCSc1ccccc1 ZINC000852751630 634825662 /nfs/dbraw/zinc/82/56/62/634825662.db2.gz JEASILMRKPFSHB-UHFFFAOYSA-N 1 1 263.406 2.750 20 30 CFEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2cnc(C)o2)cc1 ZINC000840798727 630621297 /nfs/dbraw/zinc/62/12/97/630621297.db2.gz XGUFXONCVUTXGT-GFCCVEGCSA-N 1 1 270.332 2.846 20 30 CFEDMO C=CCCCCC[N@H+](C)CN1CCC(C)(C)C1=O ZINC000840008622 630629669 /nfs/dbraw/zinc/62/96/69/630629669.db2.gz WNTXACARYKJMEF-UHFFFAOYSA-N 1 1 252.402 2.881 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCCC(C)(C)C#N ZINC000803860304 630649675 /nfs/dbraw/zinc/64/96/75/630649675.db2.gz IRVSFHVNYFKNAC-ZDUSSCGKSA-N 1 1 266.385 2.734 20 30 CFEDMO C#CCC1(C(=O)N2CC[N@@H+](CC)C[C@H]2C)CCCCC1 ZINC000804380957 630678053 /nfs/dbraw/zinc/67/80/53/630678053.db2.gz FHUAANAWXAXOKC-OAHLLOKOSA-N 1 1 276.424 2.513 20 30 CFEDMO C#CCC1(C(=O)N2CC[N@H+](CC)C[C@H]2C)CCCCC1 ZINC000804380957 630678055 /nfs/dbraw/zinc/67/80/55/630678055.db2.gz FHUAANAWXAXOKC-OAHLLOKOSA-N 1 1 276.424 2.513 20 30 CFEDMO C=CCN1CCN(C[N@@H+]2CC[C@@H](c3cccc(C)c3)C2)C1=O ZINC000840045905 630680733 /nfs/dbraw/zinc/68/07/33/630680733.db2.gz JQDUHKZCGZCEDF-QGZVFWFLSA-N 1 1 299.418 2.665 20 30 CFEDMO C#CCCCCCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000804562461 630693283 /nfs/dbraw/zinc/69/32/83/630693283.db2.gz CFVQLOLMUSGPKL-XYPWUTKMSA-N 1 1 276.424 2.654 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(c2nc(Cl)c(C#N)s2)C[C@@H]1C ZINC000804586579 630760894 /nfs/dbraw/zinc/76/08/94/630760894.db2.gz IRWHCZAICZYZEZ-IUCAKERBSA-N 1 1 284.816 2.587 20 30 CFEDMO C[C@@H](CC#N)[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000836225130 630774529 /nfs/dbraw/zinc/77/45/29/630774529.db2.gz QOMBVTLKRVKHEI-VIFPVBQESA-N 1 1 256.708 2.750 20 30 CFEDMO C#CCOc1ccccc1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000040622239 649985762 /nfs/dbraw/zinc/98/57/62/649985762.db2.gz MOFJSTADNXEYIA-MRXNPFEDSA-N 1 1 286.419 2.519 20 30 CFEDMO C#C[C@@H](CCC)NC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000836690248 630867931 /nfs/dbraw/zinc/86/79/31/630867931.db2.gz IBQJUYOCOKKCPE-LBPRGKRZSA-N 1 1 270.336 2.566 20 30 CFEDMO C=CCc1cc(OCC)cc(C[N@@H+]2CCOC[C@@H]2C)c1O ZINC000840102429 630895715 /nfs/dbraw/zinc/89/57/15/630895715.db2.gz AKALKDZUOIFRCF-ZDUSSCGKSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCOC[C@@H]2C)c1O ZINC000840102429 630895718 /nfs/dbraw/zinc/89/57/18/630895718.db2.gz AKALKDZUOIFRCF-ZDUSSCGKSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CCCCCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000807843756 630913039 /nfs/dbraw/zinc/91/30/39/630913039.db2.gz PIPCVJZYOOESMX-HNNXBMFYSA-N 1 1 266.429 2.971 20 30 CFEDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)/C=C/c2ccccc2C#N)C1 ZINC000837184681 630971345 /nfs/dbraw/zinc/97/13/45/630971345.db2.gz LVWKTOOEOMJVKX-KBOKABMXSA-N 1 1 297.402 2.513 20 30 CFEDMO C[N@@H+](CCCNC(=O)C#CC(C)(C)C)Cc1ccccc1 ZINC000837315653 630995286 /nfs/dbraw/zinc/99/52/86/630995286.db2.gz AWFBTDCRWIGRPK-UHFFFAOYSA-N 1 1 286.419 2.674 20 30 CFEDMO C#CCCOc1ccc(CNC[C@@H](C)[NH+](CC)CC)cc1 ZINC000113318979 635532953 /nfs/dbraw/zinc/53/29/53/635532953.db2.gz CYJLOZTYPGRRPC-MRXNPFEDSA-N 1 1 288.435 2.909 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C#CC(C)(C)C)C1 ZINC000837360962 631012797 /nfs/dbraw/zinc/01/27/97/631012797.db2.gz WYNHNUUWHYPUKH-GASCZTMLSA-N 1 1 292.467 2.909 20 30 CFEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C#CC(C)(C)C)C1 ZINC000837361775 631013441 /nfs/dbraw/zinc/01/34/41/631013441.db2.gz ULBDLOOGWJXUPM-NVXWUHKLSA-N 1 1 298.430 2.988 20 30 CFEDMO C#CC[N@@H+](CCC(=O)C(C)C)Cc1ccc(F)cc1 ZINC000808714306 631033683 /nfs/dbraw/zinc/03/36/83/631033683.db2.gz ZDILLBZNPHBSJW-UHFFFAOYSA-N 1 1 261.340 2.876 20 30 CFEDMO C#CC[N@H+](CCC(=O)C(C)C)Cc1ccc(F)cc1 ZINC000808714306 631033689 /nfs/dbraw/zinc/03/36/89/631033689.db2.gz ZDILLBZNPHBSJW-UHFFFAOYSA-N 1 1 261.340 2.876 20 30 CFEDMO CN(C(=O)C#CC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000837472257 631040964 /nfs/dbraw/zinc/04/09/64/631040964.db2.gz KJVHXJWKRDURQA-KRWDZBQOSA-N 1 1 298.430 2.769 20 30 CFEDMO C=C(C)C[N@@H+](CCC(=O)C(C)C)Cc1ccc(CO)o1 ZINC000808758744 631044294 /nfs/dbraw/zinc/04/42/94/631044294.db2.gz DLTGOYLOWHRJHZ-UHFFFAOYSA-N 1 1 279.380 2.765 20 30 CFEDMO C=C(C)C[N@H+](CCC(=O)C(C)C)Cc1ccc(CO)o1 ZINC000808758744 631044299 /nfs/dbraw/zinc/04/42/99/631044299.db2.gz DLTGOYLOWHRJHZ-UHFFFAOYSA-N 1 1 279.380 2.765 20 30 CFEDMO C=C(Cl)C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000808787303 631048119 /nfs/dbraw/zinc/04/81/19/631048119.db2.gz QFSHHLPEVTUBQX-UHFFFAOYSA-N 1 1 264.756 2.759 20 30 CFEDMO C=C(Cl)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000808787303 631048122 /nfs/dbraw/zinc/04/81/22/631048122.db2.gz QFSHHLPEVTUBQX-UHFFFAOYSA-N 1 1 264.756 2.759 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000808791481 631049497 /nfs/dbraw/zinc/04/94/97/631049497.db2.gz ZQWFWBYRPRBZEE-ZDUSSCGKSA-N 1 1 274.364 2.588 20 30 CFEDMO Cc1ccc(C[N@H+](C)Cn2ccc(C)c(C#N)c2=O)cc1C ZINC000840147413 631054203 /nfs/dbraw/zinc/05/42/03/631054203.db2.gz BHTJYMLLRAYBIX-UHFFFAOYSA-N 1 1 295.386 2.735 20 30 CFEDMO Cc1ccc(C[N@@H+](C)Cn2ccc(C)c(C#N)c2=O)cc1C ZINC000840147413 631054208 /nfs/dbraw/zinc/05/42/08/631054208.db2.gz BHTJYMLLRAYBIX-UHFFFAOYSA-N 1 1 295.386 2.735 20 30 CFEDMO C=CCN1CCN(C[N@@H+](C)Cc2ccc(C)c(C)c2)C1=O ZINC000840148894 631056253 /nfs/dbraw/zinc/05/62/53/631056253.db2.gz XTHLKAODGJZEMT-UHFFFAOYSA-N 1 1 287.407 2.616 20 30 CFEDMO C=CCN1CCN(C[N@H+](C)Cc2ccc(C)c(C)c2)C1=O ZINC000840148894 631056258 /nfs/dbraw/zinc/05/62/58/631056258.db2.gz XTHLKAODGJZEMT-UHFFFAOYSA-N 1 1 287.407 2.616 20 30 CFEDMO Cn1c[nH+]cc1CCON=C(c1ccccc1)C(F)(F)F ZINC000837629286 631091498 /nfs/dbraw/zinc/09/14/98/631091498.db2.gz HXBYQCMCWKOLRM-UHFFFAOYSA-N 1 1 297.280 2.946 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)OC[C@H]1CCCC[N@H+]1C(C)C ZINC000837721534 631115542 /nfs/dbraw/zinc/11/55/42/631115542.db2.gz ITEUXAGDJNYKKE-HIFRSBDPSA-N 1 1 266.385 2.732 20 30 CFEDMO COc1cc(C)ccc1C(=O)/C=C/c1c[nH+]c(N(C)C)n1C ZINC000840714477 631176112 /nfs/dbraw/zinc/17/61/12/631176112.db2.gz JOYUAIMGCIFYAW-VQHVLOKHSA-N 1 1 299.374 2.699 20 30 CFEDMO C=CCCCON=C(N)C[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000809374293 631219042 /nfs/dbraw/zinc/21/90/42/631219042.db2.gz IFWLBTADSCOPFZ-BETUJISGSA-N 1 1 253.390 2.714 20 30 CFEDMO C[C@H]([NH2+]C[C@H](O)CC#N)c1cccc(Cl)c1Cl ZINC000809577908 631238338 /nfs/dbraw/zinc/23/83/38/631238338.db2.gz FLVWLJPOGFEZOF-DTWKUNHWSA-N 1 1 273.163 2.919 20 30 CFEDMO Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)CC#N)c1C ZINC000809575032 631238872 /nfs/dbraw/zinc/23/88/72/631238872.db2.gz VWBKZNLJUCELDL-GDBMZVCRSA-N 1 1 258.365 2.715 20 30 CFEDMO C[C@@H]([NH2+]C[C@H](O)CC#N)c1cccc(Cl)c1Cl ZINC000809577909 631238949 /nfs/dbraw/zinc/23/89/49/631238949.db2.gz FLVWLJPOGFEZOF-RKDXNWHRSA-N 1 1 273.163 2.919 20 30 CFEDMO C#CC[N@@H+](Cc1ccc(C)nn1)[C@H]1CCc2ccccc21 ZINC000840908044 631258365 /nfs/dbraw/zinc/25/83/65/631258365.db2.gz NMIPHKQFVSRYFL-SFHVURJKSA-N 1 1 277.371 2.908 20 30 CFEDMO C#CC[N@H+](Cc1ccc(C)nn1)[C@H]1CCc2ccccc21 ZINC000840908044 631258369 /nfs/dbraw/zinc/25/83/69/631258369.db2.gz NMIPHKQFVSRYFL-SFHVURJKSA-N 1 1 277.371 2.908 20 30 CFEDMO C#C[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000809683090 631260072 /nfs/dbraw/zinc/26/00/72/631260072.db2.gz OYWONJAQQYTTIG-SNVBAGLBSA-N 1 1 287.344 2.830 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H]2CCCOC2)cc1 ZINC000809693230 631265043 /nfs/dbraw/zinc/26/50/43/631265043.db2.gz QVDVZLWXGKFOMG-UKRRQHHQSA-N 1 1 274.364 2.588 20 30 CFEDMO CC#CCC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCC1 ZINC000810033896 631317624 /nfs/dbraw/zinc/31/76/24/631317624.db2.gz KFXAWARMZGRCOY-INIZCTEOSA-N 1 1 292.423 2.923 20 30 CFEDMO C=C(C)CC[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000810074333 631322721 /nfs/dbraw/zinc/32/27/21/631322721.db2.gz RXHYIDITPCETMP-UHFFFAOYSA-N 1 1 254.374 2.504 20 30 CFEDMO COc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1C ZINC000810141784 631333552 /nfs/dbraw/zinc/33/35/52/631333552.db2.gz KQBZFKDUVIAADW-UHFFFAOYSA-N 1 1 273.361 2.622 20 30 CFEDMO Cc1cccc(C)c1C[NH2+]Cc1nc(C#N)cs1 ZINC000810148959 631334522 /nfs/dbraw/zinc/33/45/22/631334522.db2.gz SUABVEHPVSMUFM-UHFFFAOYSA-N 1 1 257.362 2.921 20 30 CFEDMO C#Cc1cccc(NC(=O)N[C@H](C)C[N@H+](CC)CCC)c1 ZINC000810154599 631336079 /nfs/dbraw/zinc/33/60/79/631336079.db2.gz YBIQFCXKWYSFPB-CQSZACIVSA-N 1 1 287.407 2.910 20 30 CFEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1F)CC2 ZINC000810238635 631348681 /nfs/dbraw/zinc/34/86/81/631348681.db2.gz RMCDHWJNPQIDBK-HNNXBMFYSA-N 1 1 267.307 2.869 20 30 CFEDMO C#CC[C@H](OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC000810605303 631400708 /nfs/dbraw/zinc/40/07/08/631400708.db2.gz HCQDNEJGALZQJF-BBRMVZONSA-N 1 1 283.387 2.790 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)O[C@H](C)Cn1cc[nH+]c1C ZINC000810611942 631403268 /nfs/dbraw/zinc/40/32/68/631403268.db2.gz LFCWWJVRJFJQKQ-VXGBXAGGSA-N 1 1 250.342 2.726 20 30 CFEDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)CCCCCC#N ZINC000810612208 631403566 /nfs/dbraw/zinc/40/35/66/631403566.db2.gz AXCVEUJONUEBRX-GFCCVEGCSA-N 1 1 263.341 2.597 20 30 CFEDMO C[C@H](OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C#N ZINC000810640454 631414371 /nfs/dbraw/zinc/41/43/71/631414371.db2.gz XTVPWTYPSGPNCY-NHYWBVRUSA-N 1 1 284.375 2.680 20 30 CFEDMO c1ccc([C@H]2CC(=NN[C@@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000841635889 631439313 /nfs/dbraw/zinc/43/93/13/631439313.db2.gz QHKBRXYEQHQKKN-SJLPKXTDSA-N 1 1 299.418 2.720 20 30 CFEDMO Clc1ccc(C[C@H]2CCCC2N=NC2=[NH+]CCN2)cc1 ZINC000841658632 631446395 /nfs/dbraw/zinc/44/63/95/631446395.db2.gz CBPWCKWJWCKXCU-GFCCVEGCSA-N 1 1 290.798 2.587 20 30 CFEDMO Cc1cc(C#N)ccc1C(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810836770 631452452 /nfs/dbraw/zinc/45/24/52/631452452.db2.gz ICYKNKUGQXOBJY-GJZGRUSLSA-N 1 1 284.359 2.650 20 30 CFEDMO CCCCCC[N@H+](C)CC(=O)OC1(CC#N)CCC1 ZINC000810858276 631461633 /nfs/dbraw/zinc/46/16/33/631461633.db2.gz UANMUAMWWDJTLR-UHFFFAOYSA-N 1 1 266.385 2.878 20 30 CFEDMO CCCCCC[N@@H+](C)CC(=O)OC1(CC#N)CCC1 ZINC000810858276 631461636 /nfs/dbraw/zinc/46/16/36/631461636.db2.gz UANMUAMWWDJTLR-UHFFFAOYSA-N 1 1 266.385 2.878 20 30 CFEDMO CCCCCCCC[N@H+]1C[C@H](C)N(CCO)C[C@@H]1C ZINC000842164621 631557814 /nfs/dbraw/zinc/55/78/14/631557814.db2.gz YBTSXQXMXSJMCC-HOTGVXAUSA-N 1 1 270.461 2.734 20 30 CFEDMO C#CC[N@H+](CC)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000811457422 631565690 /nfs/dbraw/zinc/56/56/90/631565690.db2.gz BZOUQHVNZUHOBW-UHFFFAOYSA-N 1 1 257.255 2.866 20 30 CFEDMO CC(C)CNN=C1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000811646643 631591356 /nfs/dbraw/zinc/59/13/56/631591356.db2.gz GNXHSSFRRHWDKZ-AWEZNQCLSA-N 1 1 259.397 2.882 20 30 CFEDMO CC(C)CNN=C1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000811646643 631591362 /nfs/dbraw/zinc/59/13/62/631591362.db2.gz GNXHSSFRRHWDKZ-AWEZNQCLSA-N 1 1 259.397 2.882 20 30 CFEDMO C[C@H]1C(=NOC[C@@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000811648901 631592848 /nfs/dbraw/zinc/59/28/48/631592848.db2.gz UHKPBIPZIYNNNK-GOEBONIOSA-N 1 1 288.391 2.690 20 30 CFEDMO COCCCON=C1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000811650294 631593274 /nfs/dbraw/zinc/59/32/74/631593274.db2.gz UNLQYJCDANIXPC-AWEZNQCLSA-N 1 1 276.380 2.690 20 30 CFEDMO C[C@H]1C(=NN[C@@H]2CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000811650160 631593324 /nfs/dbraw/zinc/59/33/24/631593324.db2.gz NSFCQDGCGVCTCT-DZGCQCFKSA-N 1 1 289.448 2.732 20 30 CFEDMO C[C@H]1C(=NN[C@@H]2CCSC2)CC[N@@H+]1Cc1ccccc1 ZINC000811650160 631593328 /nfs/dbraw/zinc/59/33/28/631593328.db2.gz NSFCQDGCGVCTCT-DZGCQCFKSA-N 1 1 289.448 2.732 20 30 CFEDMO C[NH+]1CCN(c2ccc(C=NOC/C=C\Cl)cc2)CC1 ZINC000811669848 631603952 /nfs/dbraw/zinc/60/39/52/631603952.db2.gz KFFFSVNYLJGMRM-FQDKZAGOSA-N 1 1 293.798 2.541 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cn2nccc2-c2ccncc2)C1 ZINC000842628628 631685030 /nfs/dbraw/zinc/68/50/30/631685030.db2.gz CVRKLQJMMVJQRN-HNNXBMFYSA-N 1 1 280.375 2.638 20 30 CFEDMO C#CCN(C(=O)N[C@@H](C)C[N@H+](C)CCCC)C1CCCC1 ZINC000812454932 631720849 /nfs/dbraw/zinc/72/08/49/631720849.db2.gz BYUQNRCXNKKJIY-HNNXBMFYSA-N 1 1 293.455 2.694 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000843112872 631838473 /nfs/dbraw/zinc/83/84/73/631838473.db2.gz WHQFGNJGYFXQQK-IINYFYTJSA-N 1 1 295.745 2.546 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(C)nc3sc(C)nn23)C1 ZINC000843423327 631951793 /nfs/dbraw/zinc/95/17/93/631951793.db2.gz CHIMNGOUYLJQCA-CYBMUJFWSA-N 1 1 288.420 2.643 20 30 CFEDMO C#CCOc1ccc(C[N@H+](CCC)[C@H]2CCN(C)C2)cc1 ZINC000843423206 631952033 /nfs/dbraw/zinc/95/20/33/631952033.db2.gz ZUSSDJSYEMEEBM-KRWDZBQOSA-N 1 1 286.419 2.615 20 30 CFEDMO C#CCOc1ccc(CN(CCC)[C@H]2CC[N@H+](C)C2)cc1 ZINC000843423206 631952038 /nfs/dbraw/zinc/95/20/38/631952038.db2.gz ZUSSDJSYEMEEBM-KRWDZBQOSA-N 1 1 286.419 2.615 20 30 CFEDMO C#CCOc1ccc(CN(CCC)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000843423206 631952042 /nfs/dbraw/zinc/95/20/42/631952042.db2.gz ZUSSDJSYEMEEBM-KRWDZBQOSA-N 1 1 286.419 2.615 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccccc2C(=O)N(C)C)C1 ZINC000843422959 631952176 /nfs/dbraw/zinc/95/21/76/631952176.db2.gz JYIVIQBKHZHCQK-OAHLLOKOSA-N 1 1 284.403 2.624 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2ccccc2NC(C)=O)C1 ZINC000843423481 631952366 /nfs/dbraw/zinc/95/23/66/631952366.db2.gz FMKDUTPRXNHTTQ-HNNXBMFYSA-N 1 1 270.376 2.880 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cn3cccc(F)c3n2)C1 ZINC000843424142 631952942 /nfs/dbraw/zinc/95/29/42/631952942.db2.gz PBBIAYHVMZZLBP-ZDUSSCGKSA-N 1 1 271.339 2.709 20 30 CFEDMO C#CCOc1ccc(C[N@@H+](CC)CCSC)cc1 ZINC000843437378 631959310 /nfs/dbraw/zinc/95/93/10/631959310.db2.gz FQVJNZSYJJDMTJ-UHFFFAOYSA-N 1 1 263.406 2.884 20 30 CFEDMO C#CC[C@@H]1CCCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000843998820 632091819 /nfs/dbraw/zinc/09/18/19/632091819.db2.gz CNKNTLFZWWIOSF-LSDHHAIUSA-N 1 1 287.407 2.659 20 30 CFEDMO C#CC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000844045501 632102400 /nfs/dbraw/zinc/10/24/00/632102400.db2.gz KIHCWYKGVVAOPE-INIZCTEOSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CCC(F)(F)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000814789058 632124366 /nfs/dbraw/zinc/12/43/66/632124366.db2.gz VJSNNQYZNWBCPJ-GFCCVEGCSA-N 1 1 274.355 2.579 20 30 CFEDMO C=C(Br)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000105453761 632135673 /nfs/dbraw/zinc/13/56/73/632135673.db2.gz ZFUVBNMTMBENLL-UHFFFAOYSA-N 1 1 285.141 2.901 20 30 CFEDMO C[C@H](C#N)CNN=C1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000814881741 632146588 /nfs/dbraw/zinc/14/65/88/632146588.db2.gz WOMBIUFBAUVWBJ-HUUCEWRRSA-N 1 1 284.407 2.776 20 30 CFEDMO C[C@H](C#N)CNN=C1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000814881741 632146593 /nfs/dbraw/zinc/14/65/93/632146593.db2.gz WOMBIUFBAUVWBJ-HUUCEWRRSA-N 1 1 284.407 2.776 20 30 CFEDMO C[C@@H](C#N)CNN=C1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000814881740 632147025 /nfs/dbraw/zinc/14/70/25/632147025.db2.gz WOMBIUFBAUVWBJ-GJZGRUSLSA-N 1 1 284.407 2.776 20 30 CFEDMO C[C@@H](C#N)CNN=C1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000814881740 632147028 /nfs/dbraw/zinc/14/70/28/632147028.db2.gz WOMBIUFBAUVWBJ-GJZGRUSLSA-N 1 1 284.407 2.776 20 30 CFEDMO C=CC[N@H+](Cc1ccccc1)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844267808 632148789 /nfs/dbraw/zinc/14/87/89/632148789.db2.gz CHCSPKNKIIGVIG-INIZCTEOSA-N 1 1 286.375 2.658 20 30 CFEDMO C=CC[N@H+](Cc1ccccc1)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844267809 632148995 /nfs/dbraw/zinc/14/89/95/632148995.db2.gz CHCSPKNKIIGVIG-MRXNPFEDSA-N 1 1 286.375 2.658 20 30 CFEDMO C#CC[N@H+](Cc1cc2n(n1)CCCC2)C1CCCCC1 ZINC000844281903 632155277 /nfs/dbraw/zinc/15/52/77/632155277.db2.gz QLVKIKJFAKQXSX-UHFFFAOYSA-N 1 1 271.408 2.987 20 30 CFEDMO C#CC[N@@H+](Cc1cc2n(n1)CCCC2)C1CCCCC1 ZINC000844281903 632155283 /nfs/dbraw/zinc/15/52/83/632155283.db2.gz QLVKIKJFAKQXSX-UHFFFAOYSA-N 1 1 271.408 2.987 20 30 CFEDMO CC(=[NH+]NCCC(C)(C)C)c1cc([N+](=O)[O-])ccc1N ZINC000814901807 632155696 /nfs/dbraw/zinc/15/56/96/632155696.db2.gz HXLIURDVQCFZPP-UHFFFAOYSA-N 1 1 278.356 2.927 20 30 CFEDMO Fc1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)c(F)c1F ZINC000814945389 632177011 /nfs/dbraw/zinc/17/70/11/632177011.db2.gz BEYRRUYVQOCAFP-NSHDSACASA-N 1 1 269.270 2.740 20 30 CFEDMO CCc1noc(C)c1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844369654 632181781 /nfs/dbraw/zinc/18/17/81/632181781.db2.gz MYTMWYXZBNFDQS-QGZVFWFLSA-N 1 1 299.374 2.583 20 30 CFEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)[C@H]1C=CCCC1 ZINC000844370490 632183018 /nfs/dbraw/zinc/18/30/18/632183018.db2.gz RPGFBTDKXPEFJB-JKSUJKDBSA-N 1 1 256.349 2.632 20 30 CFEDMO C#CCNC(=O)CC[N@@H+](Cc1ccccc1)C1CCCCC1 ZINC000815023534 632188102 /nfs/dbraw/zinc/18/81/02/632188102.db2.gz XMVNIVKFHGIEAY-UHFFFAOYSA-N 1 1 298.430 2.961 20 30 CFEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@H]1[C@H](CC)c1ccccc1 ZINC000815029767 632189922 /nfs/dbraw/zinc/18/99/22/632189922.db2.gz XPWGIMNLAPWPNQ-MSOLQXFVSA-N 1 1 298.430 2.784 20 30 CFEDMO C#CCNC(=O)CC[N@@H+]1CCCC[C@@H]1c1ccc(C)cc1 ZINC000815052898 632192278 /nfs/dbraw/zinc/19/22/78/632192278.db2.gz GBKBDORJIAIUDI-QGZVFWFLSA-N 1 1 284.403 2.662 20 30 CFEDMO C[C@@H]1CCC[N@H+](CCC#N)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844398426 632194486 /nfs/dbraw/zinc/19/44/86/632194486.db2.gz UAHDTGPCHDRICY-ZIAGYGMSSA-N 1 1 295.427 2.915 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CCC#N)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844398426 632194489 /nfs/dbraw/zinc/19/44/89/632194489.db2.gz UAHDTGPCHDRICY-ZIAGYGMSSA-N 1 1 295.427 2.915 20 30 CFEDMO C=CCOCC[N@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000815079268 632197665 /nfs/dbraw/zinc/19/76/65/632197665.db2.gz PQSGPPLNWPBJGU-KBPBESRZSA-N 1 1 298.427 2.519 20 30 CFEDMO C=CCOCC[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000815079268 632197670 /nfs/dbraw/zinc/19/76/70/632197670.db2.gz PQSGPPLNWPBJGU-KBPBESRZSA-N 1 1 298.427 2.519 20 30 CFEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@@H](c2ccc(CC)cc2)C1 ZINC000815117645 632204504 /nfs/dbraw/zinc/20/45/04/632204504.db2.gz SMUOKHKVQLLQFD-GOSISDBHSA-N 1 1 298.430 2.568 20 30 CFEDMO C=CCOc1ccccc1C[NH2+]Cc1cnn(C)c1Cl ZINC000815124148 632207921 /nfs/dbraw/zinc/20/79/21/632207921.db2.gz OEXRQVLRFJRNGC-UHFFFAOYSA-N 1 1 291.782 2.928 20 30 CFEDMO C=CCC(F)(F)C(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000815170874 632222635 /nfs/dbraw/zinc/22/26/35/632222635.db2.gz DTXITMWIMCGTIO-CYBMUJFWSA-N 1 1 288.382 2.969 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000815209388 632229600 /nfs/dbraw/zinc/22/96/00/632229600.db2.gz VFCPIYBIYBJMSF-WFASDCNBSA-N 1 1 294.782 2.722 20 30 CFEDMO C=C(C)CON=C1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000844616601 632263121 /nfs/dbraw/zinc/26/31/21/632263121.db2.gz DEVXVMARWGWMGE-CQSZACIVSA-N 1 1 273.380 2.872 20 30 CFEDMO C=C[C@@H](C)ON=C1CC[NH+](Cc2ccccn2)CC1 ZINC000844622885 632266758 /nfs/dbraw/zinc/26/67/58/632266758.db2.gz COYCQFICXSMLQT-CYBMUJFWSA-N 1 1 259.353 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C#CC[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1 ZINC000190371829 650429083 /nfs/dbraw/zinc/42/90/83/650429083.db2.gz IZVDSPQWJCHYGC-UHFFFAOYSA-N 1 1 257.255 2.649 20 30 CFEDMO CC(C)c1[nH+]ccn1CCNC(=O)c1ccccc1CC#N ZINC000865762030 638559934 /nfs/dbraw/zinc/55/99/34/638559934.db2.gz KFMBNSXPHCYKOJ-UHFFFAOYSA-N 1 1 296.374 2.503 20 30 CFEDMO Cn1cc(C(F)F)c(C[NH2+]Cc2cccc(C#N)c2)n1 ZINC000865808973 638585806 /nfs/dbraw/zinc/58/58/06/638585806.db2.gz IGCNXWFFEKDQEK-UHFFFAOYSA-N 1 1 276.290 2.519 20 30 CFEDMO CC[C@@H]1C[N@@H+](C)CCCN1c1snc(Cl)c1C#N ZINC000865925271 638659338 /nfs/dbraw/zinc/65/93/38/638659338.db2.gz GKCFLRDRYDLBFG-SECBINFHSA-N 1 1 284.816 2.589 20 30 CFEDMO Cc1ccc(C#N)c(NC[C@H]2c3ccccc3C[N@H+]2C)n1 ZINC000866195584 638767536 /nfs/dbraw/zinc/76/75/36/638767536.db2.gz XZXNLUJLRWVDOL-INIZCTEOSA-N 1 1 278.359 2.860 20 30 CFEDMO Cc1ccc(C#N)c(NC[C@H]2c3ccccc3C[N@@H+]2C)n1 ZINC000866195584 638767537 /nfs/dbraw/zinc/76/75/37/638767537.db2.gz XZXNLUJLRWVDOL-INIZCTEOSA-N 1 1 278.359 2.860 20 30 CFEDMO COc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2O)ccn1 ZINC000866225887 638774099 /nfs/dbraw/zinc/77/40/99/638774099.db2.gz FBMPTKDRNPIPRZ-LLVKDONJSA-N 1 1 283.331 2.518 20 30 CFEDMO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866367971 638806522 /nfs/dbraw/zinc/80/65/22/638806522.db2.gz SCADBUKUJZYBKS-FQLMCAECSA-N 1 1 277.339 2.781 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)C[C@@H]2CCCCC2(C)C)CC1 ZINC000121074254 638821528 /nfs/dbraw/zinc/82/15/28/638821528.db2.gz XCACOWBTNBJBOM-INIZCTEOSA-N 1 1 290.451 2.760 20 30 CFEDMO C#C[C@H](NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C)C(C)(C)C ZINC000868615209 638962318 /nfs/dbraw/zinc/96/23/18/638962318.db2.gz HNRZMZVPNLRMDR-CVEARBPZSA-N 1 1 299.418 2.520 20 30 CFEDMO C#C[C@H](NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C)C(C)(C)C ZINC000868615209 638962319 /nfs/dbraw/zinc/96/23/19/638962319.db2.gz HNRZMZVPNLRMDR-CVEARBPZSA-N 1 1 299.418 2.520 20 30 CFEDMO CC[C@]1(C)C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000191153907 650480614 /nfs/dbraw/zinc/48/06/14/650480614.db2.gz XFXPNKWUQJLGNT-WMLDXEAASA-N 1 1 288.391 2.978 20 30 CFEDMO CC[C@]1(C)C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000191153907 650480615 /nfs/dbraw/zinc/48/06/15/650480615.db2.gz XFXPNKWUQJLGNT-WMLDXEAASA-N 1 1 288.391 2.978 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCO[C@](C)(CC)C2)cc1 ZINC000191149511 650480715 /nfs/dbraw/zinc/48/07/15/650480715.db2.gz NMTBAANBAHYWEB-QGZVFWFLSA-N 1 1 273.376 2.700 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCO[C@](C)(CC)C2)cc1 ZINC000191149511 650480718 /nfs/dbraw/zinc/48/07/18/650480718.db2.gz NMTBAANBAHYWEB-QGZVFWFLSA-N 1 1 273.376 2.700 20 30 CFEDMO Cc1cc(C)c(COC(=O)c2ccc(C#N)[nH]2)c(C)[nH+]1 ZINC000869498939 639260943 /nfs/dbraw/zinc/26/09/43/639260943.db2.gz IWTUBOFAAPIYJD-UHFFFAOYSA-N 1 1 269.304 2.564 20 30 CFEDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000191957878 650531702 /nfs/dbraw/zinc/53/17/02/650531702.db2.gz YVYQOESBVNEEQJ-YOEHRIQHSA-N 1 1 288.391 2.714 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)no1 ZINC001085853569 782188576 /nfs/dbraw/zinc/18/85/76/782188576.db2.gz BMGVBRPBTRPDKS-ZDUSSCGKSA-N 1 1 291.395 2.520 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C(C)C)no1 ZINC001085853569 782188581 /nfs/dbraw/zinc/18/85/81/782188581.db2.gz BMGVBRPBTRPDKS-ZDUSSCGKSA-N 1 1 291.395 2.520 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2ccccn2c1 ZINC001085855287 782188649 /nfs/dbraw/zinc/18/86/49/782188649.db2.gz USBPXLYBGPAFTQ-QGZVFWFLSA-N 1 1 297.402 2.662 20 30 CFEDMO C[C@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1ccc(C#N)cc1 ZINC000870786920 641071158 /nfs/dbraw/zinc/07/11/58/641071158.db2.gz BWOAIBLUTZKCMT-CJNGLKHVSA-N 1 1 286.375 2.978 20 30 CFEDMO NC(=[NH+]OCCc1ccccc1)c1ccc2c(c1)CCO2 ZINC000123366870 641105549 /nfs/dbraw/zinc/10/55/49/641105549.db2.gz FTNQKKHFDUGFCY-UHFFFAOYSA-N 1 1 282.343 2.501 20 30 CFEDMO C#CCCCCCC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871156430 641221069 /nfs/dbraw/zinc/22/10/69/641221069.db2.gz ZROFDKBBBWPHAX-UHFFFAOYSA-N 1 1 264.413 2.513 20 30 CFEDMO N#C[C@@H](C(=O)Cn1cc[nH+]c1C1CC1)c1ccccc1 ZINC000871679562 641399858 /nfs/dbraw/zinc/39/98/58/641399858.db2.gz NCYZOPFYMJAGMN-CQSZACIVSA-N 1 1 265.316 2.637 20 30 CFEDMO C=CCN1CCC([NH2+][C@H](C)c2cc(O)ccc2F)CC1 ZINC000872033183 641562830 /nfs/dbraw/zinc/56/28/30/641562830.db2.gz GKGWYLZHXDLVSW-GFCCVEGCSA-N 1 1 278.371 2.832 20 30 CFEDMO C[C@@H]([NH2+]CCCC#N)c1c(F)cccc1[N+](=O)[O-] ZINC000872060758 641593026 /nfs/dbraw/zinc/59/30/26/641593026.db2.gz SQYFWBVMZKUJPZ-SECBINFHSA-N 1 1 251.261 2.688 20 30 CFEDMO C#C[C@H]1CC[C@H]([NH2+]C2CCN(CC3CC3)CC2)CC1 ZINC000872140520 641667891 /nfs/dbraw/zinc/66/78/91/641667891.db2.gz PVFRGOOQRHRTCL-KOMQPUFPSA-N 1 1 260.425 2.642 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cc(C)ccn2)no1 ZINC000872172538 641686519 /nfs/dbraw/zinc/68/65/19/641686519.db2.gz BGSLIKDHWSJAKG-VIFPVBQESA-N 1 1 264.716 2.582 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccoc2C)no1 ZINC000872181742 641695723 /nfs/dbraw/zinc/69/57/23/641695723.db2.gz AEKGTNIPHSLRHU-SECBINFHSA-N 1 1 253.689 2.780 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc([C@H](CCC)OC)no1 ZINC000872183001 641696615 /nfs/dbraw/zinc/69/66/15/641696615.db2.gz XQDSXMSBDFYLHN-BDAKNGLRSA-N 1 1 259.737 2.700 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(SC)cn2)no1 ZINC000872183868 641696900 /nfs/dbraw/zinc/69/69/00/641696900.db2.gz OEDIVHIYDSVQOO-VIFPVBQESA-N 1 1 296.783 2.996 20 30 CFEDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2cccc(C#N)c2F)[C@@H]1O ZINC000872261344 641724471 /nfs/dbraw/zinc/72/44/71/641724471.db2.gz DUBXLMWBQHFOOU-IMJJTQAJSA-N 1 1 288.366 2.679 20 30 CFEDMO C[NH+]1CCN(N=Cc2ccc(F)c3ccccc23)CC1 ZINC000872325211 641756700 /nfs/dbraw/zinc/75/67/00/641756700.db2.gz HOROXQCSJGESMY-UHFFFAOYSA-N 1 1 271.339 2.560 20 30 CFEDMO CCNc1ccccc1C=[NH+]NCCOCC(F)(F)F ZINC000872360604 641768388 /nfs/dbraw/zinc/76/83/88/641768388.db2.gz ADZTUIYBPXRMTO-UHFFFAOYSA-N 1 1 289.301 2.621 20 30 CFEDMO COc1cccc2c1OCCCC2=NNc1cc[nH+]cc1 ZINC000872363282 641769421 /nfs/dbraw/zinc/76/94/21/641769421.db2.gz ATZYZTYIDBUWAM-UHFFFAOYSA-N 1 1 283.331 2.501 20 30 CFEDMO C[C@@H]1C(N=Nc2ccc(F)c(F)c2F)CC[N@H+]1C ZINC000872378593 641782243 /nfs/dbraw/zinc/78/22/43/641782243.db2.gz MNKYVJLOMZTYLA-SSDOTTSWSA-N 1 1 257.259 2.596 20 30 CFEDMO O=[N+]([O-])c1cc(C=[NH+]N2CCC2)ccc1N1CCCCC1 ZINC000872394433 641790397 /nfs/dbraw/zinc/79/03/97/641790397.db2.gz GASHHQFDCDAHOP-UHFFFAOYSA-N 1 1 288.351 2.625 20 30 CFEDMO CC[N@H+]1CCC(=NNC[C@H]2CCCC2(F)F)[C@@H](C)C1 ZINC000872408144 641796866 /nfs/dbraw/zinc/79/68/66/641796866.db2.gz NKTLIFBQKCVTRZ-NWDGAFQWSA-N 1 1 273.371 2.729 20 30 CFEDMO CSc1nnc(SC)n1[NH+]=C1CC(C(F)F)C1 ZINC000872417735 641803774 /nfs/dbraw/zinc/80/37/74/641803774.db2.gz LYIAUISCBTXZOR-UHFFFAOYSA-N 1 1 278.353 2.601 20 30 CFEDMO C=C(C)C[N@H+](C)CN1C[C@@H](Cc2ccccc2)CC1=O ZINC000872596972 641869883 /nfs/dbraw/zinc/86/98/83/641869883.db2.gz PDTOBBMREBCWOZ-INIZCTEOSA-N 1 1 272.392 2.543 20 30 CFEDMO C=C(C)C[N@@H+](C)CN1C[C@@H](Cc2ccccc2)CC1=O ZINC000872596972 641869891 /nfs/dbraw/zinc/86/98/91/641869891.db2.gz PDTOBBMREBCWOZ-INIZCTEOSA-N 1 1 272.392 2.543 20 30 CFEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H]1CCC=CO1 ZINC000193808126 650701666 /nfs/dbraw/zinc/70/16/66/650701666.db2.gz HIXWQRMXXPENPV-MRXNPFEDSA-N 1 1 259.324 2.954 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000872927119 641965305 /nfs/dbraw/zinc/96/53/05/641965305.db2.gz RUOQODGKIFSCGS-ZDUSSCGKSA-N 1 1 279.428 2.515 20 30 CFEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC(C)(C)CCC#N ZINC000195058982 650737267 /nfs/dbraw/zinc/73/72/67/650737267.db2.gz RXLCCXZYUULWEJ-CYBMUJFWSA-N 1 1 266.385 2.734 20 30 CFEDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCC(C)(C)CCC#N ZINC000195058982 650737268 /nfs/dbraw/zinc/73/72/68/650737268.db2.gz RXLCCXZYUULWEJ-CYBMUJFWSA-N 1 1 266.385 2.734 20 30 CFEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000874246411 642355885 /nfs/dbraw/zinc/35/58/85/642355885.db2.gz JYRWWKRYTBDALK-INIZCTEOSA-N 1 1 285.391 2.726 20 30 CFEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000874246411 642355891 /nfs/dbraw/zinc/35/58/91/642355891.db2.gz JYRWWKRYTBDALK-INIZCTEOSA-N 1 1 285.391 2.726 20 30 CFEDMO C#CCOc1cccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000874445640 642387144 /nfs/dbraw/zinc/38/71/44/642387144.db2.gz DSEIICUVJBESMG-QGZVFWFLSA-N 1 1 298.386 2.654 20 30 CFEDMO C#C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000874862440 642534010 /nfs/dbraw/zinc/53/40/10/642534010.db2.gz IJIXNKFEQBHAQW-WKILWMFISA-N 1 1 290.451 2.949 20 30 CFEDMO CCO[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC000876512178 642900219 /nfs/dbraw/zinc/90/02/19/642900219.db2.gz HYJAXZMTDZYAEJ-INIZCTEOSA-N 1 1 287.407 2.625 20 30 CFEDMO CCCCC[N@H+](CCO)Cc1cc(C#N)cnc1Cl ZINC000876564597 642925460 /nfs/dbraw/zinc/92/54/60/642925460.db2.gz NDCOYUKOFOQUJI-UHFFFAOYSA-N 1 1 281.787 2.591 20 30 CFEDMO CCCCC[N@@H+](CCO)Cc1cc(C#N)cnc1Cl ZINC000876564597 642925462 /nfs/dbraw/zinc/92/54/62/642925462.db2.gz NDCOYUKOFOQUJI-UHFFFAOYSA-N 1 1 281.787 2.591 20 30 CFEDMO C=CC[N@H+](Cc1cc(C(=O)OC(C)(C)C)nn1C)C(C)C ZINC000876599737 642939742 /nfs/dbraw/zinc/93/97/42/642939742.db2.gz JVNWBKUMKGSVJD-UHFFFAOYSA-N 1 1 293.411 2.772 20 30 CFEDMO C=CC[N@@H+](Cc1cc(C(=O)OC(C)(C)C)nn1C)C(C)C ZINC000876599737 642939744 /nfs/dbraw/zinc/93/97/44/642939744.db2.gz JVNWBKUMKGSVJD-UHFFFAOYSA-N 1 1 293.411 2.772 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)Cc1ccccc1O ZINC000876615325 642946082 /nfs/dbraw/zinc/94/60/82/642946082.db2.gz BFBFQNGNBZTBTM-UHFFFAOYSA-N 1 1 295.386 2.962 20 30 CFEDMO C#CCCCCCC[N@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000876659781 642961882 /nfs/dbraw/zinc/96/18/82/642961882.db2.gz GDCKGWDGKDUIIR-UHFFFAOYSA-N 1 1 287.407 2.844 20 30 CFEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H]2C2CC2)c1 ZINC000876690493 642975309 /nfs/dbraw/zinc/97/53/09/642975309.db2.gz WKIKNLIZMVQDFQ-CYBMUJFWSA-N 1 1 261.756 2.981 20 30 CFEDMO CO[C@H](C)C[N@H+](Cc1cc(C#N)cnc1Cl)C(C)C ZINC000876757623 642996855 /nfs/dbraw/zinc/99/68/55/642996855.db2.gz FFBWIAZKWAKIFF-LLVKDONJSA-N 1 1 281.787 2.852 20 30 CFEDMO CO[C@H](C)C[N@@H+](Cc1cc(C#N)cnc1Cl)C(C)C ZINC000876757623 642996858 /nfs/dbraw/zinc/99/68/58/642996858.db2.gz FFBWIAZKWAKIFF-LLVKDONJSA-N 1 1 281.787 2.852 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCOC2(CCCC2)C1 ZINC000876761352 642998226 /nfs/dbraw/zinc/99/82/26/642998226.db2.gz UTAHLBJKIOKSGV-UHFFFAOYSA-N 1 1 299.418 2.769 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCOC2(CCCC2)C1 ZINC000876761352 642998228 /nfs/dbraw/zinc/99/82/28/642998228.db2.gz UTAHLBJKIOKSGV-UHFFFAOYSA-N 1 1 299.418 2.769 20 30 CFEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000876793743 643010119 /nfs/dbraw/zinc/01/01/19/643010119.db2.gz HYHXPUJDVBVBLY-UHFFFAOYSA-N 1 1 291.782 2.609 20 30 CFEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000876793743 643010130 /nfs/dbraw/zinc/01/01/30/643010130.db2.gz HYHXPUJDVBVBLY-UHFFFAOYSA-N 1 1 291.782 2.609 20 30 CFEDMO C#CCCCCCCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000876812305 643021131 /nfs/dbraw/zinc/02/11/31/643021131.db2.gz 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C=CCOc1ccccc1CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877744776 643521971 /nfs/dbraw/zinc/52/19/71/643521971.db2.gz XTTFCDNYHCZQCV-NVXWUHKLSA-N 1 1 286.419 2.777 20 30 CFEDMO CC(C)(O)C1CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000877752622 643530373 /nfs/dbraw/zinc/53/03/73/643530373.db2.gz VOMJWEFIDIUZKC-UHFFFAOYSA-N 1 1 276.355 2.680 20 30 CFEDMO C#CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000245960650 650847435 /nfs/dbraw/zinc/84/74/35/650847435.db2.gz MOVOKQGQKBEEDK-FUHWJXTLSA-N 1 1 287.403 2.682 20 30 CFEDMO CC1(C)CCc2onc(C[NH2+][C@H]3CC[C@H](C#N)C3)c2C1 ZINC000877809394 643571751 /nfs/dbraw/zinc/57/17/51/643571751.db2.gz BIRWWSXNPJACJG-RYUDHWBXSA-N 1 1 273.380 2.971 20 30 CFEDMO CC(=O)Nc1ccc2c(c1)C[N@@H+](C[C@@H](C)CCC#N)CC2 ZINC000877816781 643581190 /nfs/dbraw/zinc/58/11/90/643581190.db2.gz KCZLNXFSXZXORP-ZDUSSCGKSA-N 1 1 285.391 2.943 20 30 CFEDMO COC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000877819988 643585261 /nfs/dbraw/zinc/58/52/61/643585261.db2.gz 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C=CC[C@H](C(=O)OC)[N@@H+](CCC)Cc1ccccc1O ZINC000878151124 643762212 /nfs/dbraw/zinc/76/22/12/643762212.db2.gz LZKVFQZGGBKBRI-CQSZACIVSA-N 1 1 277.364 2.722 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000246312494 650864642 /nfs/dbraw/zinc/86/46/42/650864642.db2.gz MKSXHNUSJCVFPG-IIAWOOMASA-N 1 1 299.418 2.692 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000246312494 650864643 /nfs/dbraw/zinc/86/46/43/650864643.db2.gz MKSXHNUSJCVFPG-IIAWOOMASA-N 1 1 299.418 2.692 20 30 CFEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)CC1(O)CCCC1 ZINC000878159515 643767413 /nfs/dbraw/zinc/76/74/13/643767413.db2.gz MZPKWHUBRCMVPP-INIZCTEOSA-N 1 1 296.455 2.694 20 30 CFEDMO C=CC[C@H](C)[N@H+]1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000878193131 643787133 /nfs/dbraw/zinc/78/71/33/643787133.db2.gz TXJIDIDMPHOOSA-MJBXVCDLSA-N 1 1 298.427 2.565 20 30 CFEDMO C[C@H](C#N)C[N@H+](C[C@H]1CCC(C)(C)CO1)C1CC1 ZINC000878298690 643828411 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ZINC001034090206 780886028 /nfs/dbraw/zinc/88/60/28/780886028.db2.gz HTRREXMHRMLISZ-ZDUSSCGKSA-N 1 1 264.394 2.518 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001034095326 780891193 /nfs/dbraw/zinc/89/11/93/780891193.db2.gz LZTRVINDDFDIHQ-ZDUSSCGKSA-N 1 1 295.814 2.829 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001034103664 780893800 /nfs/dbraw/zinc/89/38/00/780893800.db2.gz CIWVFVVOITYMPW-LBPRGKRZSA-N 1 1 294.782 2.541 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2O)C1 ZINC001034110564 780895562 /nfs/dbraw/zinc/89/55/62/780895562.db2.gz OINCVHLBVIQAOG-CQSZACIVSA-N 1 1 288.391 2.553 20 30 CFEDMO C#C[C@H]([NH2+]Cc1c(Cl)c(C)nn1C)C(C)(C)C ZINC000702291505 780903363 /nfs/dbraw/zinc/90/33/63/780903363.db2.gz HAGMMDWUBQOHER-NSHDSACASA-N 1 1 253.777 2.519 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001034134051 780904036 /nfs/dbraw/zinc/90/40/36/780904036.db2.gz XSCOTHUNNLNSFY-KRWDZBQOSA-N 1 1 288.435 2.871 20 30 CFEDMO 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781815105 /nfs/dbraw/zinc/81/51/05/781815105.db2.gz MOIRMCQVVGRIKE-HZPDHXFCSA-N 1 1 290.451 2.922 20 30 CFEDMO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](C[C@H](C)CC)C[C@H]32)C1 ZINC001084645912 781816882 /nfs/dbraw/zinc/81/68/82/781816882.db2.gz KGCYWDCIKKHXFL-FVQBIDKESA-N 1 1 290.451 2.922 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC34CCC4)[C@@H]2C1 ZINC001084689922 781820526 /nfs/dbraw/zinc/82/05/26/781820526.db2.gz YOPSPJNPMFWKFQ-BZUAXINKSA-N 1 1 288.435 2.676 20 30 CFEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H](C)CC ZINC001098915500 781833280 /nfs/dbraw/zinc/83/32/80/781833280.db2.gz JNBJCUZRSSRXOJ-HUUCEWRRSA-N 1 1 278.440 2.663 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3C)[C@@H]2C1 ZINC001084821669 781841146 /nfs/dbraw/zinc/84/11/46/781841146.db2.gz KMYIQXZZDDSYTI-QZTJIDSGSA-N 1 1 298.430 2.646 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C[C@H](C)C3CC3)[C@@H]2C1 ZINC001084855368 781847552 /nfs/dbraw/zinc/84/75/52/781847552.db2.gz QXELMJVKBKFPMN-USXIJHARSA-N 1 1 290.451 2.922 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@]3(C)CC=CCC3)C[C@@H]21 ZINC001084947801 781866273 /nfs/dbraw/zinc/86/62/73/781866273.db2.gz PFJYLNYHVIOWFC-SOLBZPMBSA-N 1 1 288.435 2.842 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC3(F)F)C[C@@H]21 ZINC001084967520 781869299 /nfs/dbraw/zinc/86/92/99/781869299.db2.gz GIYNWMBATNYBNP-RDBSUJKOSA-N 1 1 298.377 2.531 20 30 CFEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCOC ZINC001098932262 781870637 /nfs/dbraw/zinc/87/06/37/781870637.db2.gz DQXDDCFEVPZWDD-OAHLLOKOSA-N 1 1 296.455 2.596 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@]34C[C@@H]3CCCC4)C[C@@H]21 ZINC001085026240 781884320 /nfs/dbraw/zinc/88/43/20/781884320.db2.gz FGTSENHERFWEJI-CVYDXHPNSA-N 1 1 288.435 2.676 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCc2ccsc2[C@@H]1C ZINC000712277778 781887158 /nfs/dbraw/zinc/88/71/58/781887158.db2.gz NPINRVJMNQQQSN-MNOVXSKESA-N 1 1 250.367 2.596 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCc2ccsc2[C@H]1C ZINC000712277782 781887514 /nfs/dbraw/zinc/88/75/14/781887514.db2.gz NPINRVJMNQQQSN-WDEREUQCSA-N 1 1 250.367 2.596 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C(C)C)C[C@@H]21 ZINC001085048614 781887627 /nfs/dbraw/zinc/88/76/27/781887627.db2.gz WSEBLYXAINFSTM-ZNMIVQPWSA-N 1 1 298.858 2.954 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C(C)C)C[C@@H]21 ZINC001085048614 781887637 /nfs/dbraw/zinc/88/76/37/781887637.db2.gz WSEBLYXAINFSTM-ZNMIVQPWSA-N 1 1 298.858 2.954 20 30 CFEDMO C=C[C@@H](C(=O)N1CC[C@H]2CC[N@H+](CC)[C@H]2C1)c1ccccc1 ZINC001085099391 781911281 /nfs/dbraw/zinc/91/12/81/781911281.db2.gz QKCGATXTICTBGT-KURKYZTESA-N 1 1 298.430 2.899 20 30 CFEDMO N#Cc1ccc(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000594519830 349440191 /nfs/dbraw/zinc/44/01/91/349440191.db2.gz LRSMRIFTOXDEID-IAGOWNOFSA-N 1 1 287.382 2.804 20 30 CFEDMO N#Cc1ccc(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000594519830 349440193 /nfs/dbraw/zinc/44/01/93/349440193.db2.gz LRSMRIFTOXDEID-IAGOWNOFSA-N 1 1 287.382 2.804 20 30 CFEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCN3CCC2CC3)cc1 ZINC000594607411 349460492 /nfs/dbraw/zinc/46/04/92/349460492.db2.gz UKHLOGQPBAPKQM-UHFFFAOYSA-N 1 1 283.419 2.768 20 30 CFEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCN3CCC2CC3)cc1 ZINC000594607411 349460497 /nfs/dbraw/zinc/46/04/97/349460497.db2.gz UKHLOGQPBAPKQM-UHFFFAOYSA-N 1 1 283.419 2.768 20 30 CFEDMO CCN1CCC([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594920209 349507534 /nfs/dbraw/zinc/50/75/34/349507534.db2.gz STLXCSWVWBQCBT-UHFFFAOYSA-N 1 1 283.419 2.816 20 30 CFEDMO CC[NH+]1CCC(NCc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000594920209 349507535 /nfs/dbraw/zinc/50/75/35/349507535.db2.gz STLXCSWVWBQCBT-UHFFFAOYSA-N 1 1 283.419 2.816 20 30 CFEDMO C[NH+](C)[C@H](CNCc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000594926906 349512432 /nfs/dbraw/zinc/51/24/32/349512432.db2.gz XNYSQKMXRXGKLP-QGZVFWFLSA-N 1 1 283.419 2.672 20 30 CFEDMO C#CCC[N@H+](C)Cc1csc(Br)c1 ZINC000082493900 178059581 /nfs/dbraw/zinc/05/95/81/178059581.db2.gz ZHLSQXLQBVMSSY-UHFFFAOYSA-N 1 1 258.184 2.966 20 30 CFEDMO COc1cccnc1C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594946187 349523675 /nfs/dbraw/zinc/52/36/75/349523675.db2.gz LUBMZHXMMCTDDM-UHFFFAOYSA-N 1 1 293.370 2.935 20 30 CFEDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2ncnn21 ZINC000594955825 349528177 /nfs/dbraw/zinc/52/81/77/349528177.db2.gz BHQSIDGTTCOBKW-DOMZBBRYSA-N 1 1 295.390 2.875 20 30 CFEDMO C=CCCSCC[NH2+]Cc1nn(C)c(C)c1Cl ZINC000594969725 349534785 /nfs/dbraw/zinc/53/47/85/349534785.db2.gz ZKFCWBHPRANHTF-UHFFFAOYSA-N 1 1 273.833 2.781 20 30 CFEDMO CC(C)(C)n1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)nn1 ZINC000594969442 349534943 /nfs/dbraw/zinc/53/49/43/349534943.db2.gz QSKGMFFFZFVEOZ-UHFFFAOYSA-N 1 1 297.406 2.930 20 30 CFEDMO CC[C@@H](C)C[N@@H+](C)[C@@H]1CCN(c2sccc2C#N)C1=O ZINC000083171436 178348879 /nfs/dbraw/zinc/34/88/79/178348879.db2.gz FUIKOYLDRLCUMN-DGCLKSJQSA-N 1 1 291.420 2.703 20 30 CFEDMO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCCn3nccc32)c1 ZINC000595028742 349556781 /nfs/dbraw/zinc/55/67/81/349556781.db2.gz UBMUYWKFKPOAQM-CQSZACIVSA-N 1 1 270.311 2.519 20 30 CFEDMO C=CCCSCC[NH2+][C@@H]1CCN(CC)C[C@@H]1C ZINC000595058314 349569508 /nfs/dbraw/zinc/56/95/08/349569508.db2.gz HHTSMWDVSIQKSZ-UONOGXRCSA-N 1 1 256.459 2.616 20 30 CFEDMO CC(C)C[C@@H]1COCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595316385 349600351 /nfs/dbraw/zinc/60/03/51/349600351.db2.gz BZZQSOPWJZUHMH-QGZVFWFLSA-N 1 1 272.392 2.848 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@H+](CCN(CCC#N)CC2CC2)C1 ZINC000595335775 349604336 /nfs/dbraw/zinc/60/43/36/349604336.db2.gz XLDYBIOFHZDCPZ-GASCZTMLSA-N 1 1 263.429 2.590 20 30 CFEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CC(C)(C)O1 ZINC000595293686 349593685 /nfs/dbraw/zinc/59/36/85/349593685.db2.gz DFBJHWYRCVEHBG-CYBMUJFWSA-N 1 1 258.365 2.600 20 30 CFEDMO C[C@@H](CC#N)[N@H+](C)CC[C@H]1Sc2ccccc2NC1=O ZINC000595343173 349606650 /nfs/dbraw/zinc/60/66/50/349606650.db2.gz FMMZYWRWPYPMED-SMDDNHRTSA-N 1 1 289.404 2.723 20 30 CFEDMO C[C@@H](CC#N)[N@@H+](C)CC[C@H]1Sc2ccccc2NC1=O ZINC000595343173 349606653 /nfs/dbraw/zinc/60/66/53/349606653.db2.gz FMMZYWRWPYPMED-SMDDNHRTSA-N 1 1 289.404 2.723 20 30 CFEDMO C[C@@H](CC#N)[N@H+](C)CCc1ccc2c(c1)OC(F)(F)O2 ZINC000595346607 349607308 /nfs/dbraw/zinc/60/73/08/349607308.db2.gz ZFQBLTZRVBRUGN-JTQLQIEISA-N 1 1 282.290 2.785 20 30 CFEDMO C[C@@H](CC#N)[N@@H+](C)CCc1ccc2c(c1)OC(F)(F)O2 ZINC000595346607 349607312 /nfs/dbraw/zinc/60/73/12/349607312.db2.gz ZFQBLTZRVBRUGN-JTQLQIEISA-N 1 1 282.290 2.785 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000595375323 349612203 /nfs/dbraw/zinc/61/22/03/349612203.db2.gz BXNBAYJEGHGTAK-INIZCTEOSA-N 1 1 280.375 2.703 20 30 CFEDMO CC[N@H+]1C[C@@H](C)N(CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595404792 349616825 /nfs/dbraw/zinc/61/68/25/349616825.db2.gz NRPDVLUULBAVKA-LSDHHAIUSA-N 1 1 271.408 2.515 20 30 CFEDMO CCN1C[C@@H](C)[N@H+](CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595404792 349616828 /nfs/dbraw/zinc/61/68/28/349616828.db2.gz NRPDVLUULBAVKA-LSDHHAIUSA-N 1 1 271.408 2.515 20 30 CFEDMO CCN1C[C@@H](C)[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595404792 349616832 /nfs/dbraw/zinc/61/68/32/349616832.db2.gz NRPDVLUULBAVKA-LSDHHAIUSA-N 1 1 271.408 2.515 20 30 CFEDMO C[N@H+]1CCCC12CCN([C@H](C#N)c1ccccc1)CC2 ZINC000595409774 349617910 /nfs/dbraw/zinc/61/79/10/349617910.db2.gz HUKBJILOXKOQTH-MRXNPFEDSA-N 1 1 269.392 2.811 20 30 CFEDMO COc1cc([C@H](C)[NH2+][C@@H](C)CC#N)cc(OC)c1OC ZINC000068610270 346862038 /nfs/dbraw/zinc/86/20/38/346862038.db2.gz JBUQXCBHNXTAMQ-QWRGUYRKSA-N 1 1 278.352 2.665 20 30 CFEDMO CO[C@H](C[N@H+]1CCC[C@@](C)(C#N)C1)C1CCCC1 ZINC000595425082 349621548 /nfs/dbraw/zinc/62/15/48/349621548.db2.gz IYZGFILPGRAPSE-CABCVRRESA-N 1 1 250.386 2.817 20 30 CFEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)[C@H](C)[C@@H](C)O1 ZINC000595447598 349629519 /nfs/dbraw/zinc/62/95/19/349629519.db2.gz IQWRGUDHMWFXLI-MGPQQGTHSA-N 1 1 258.365 2.598 20 30 CFEDMO C[NH+](C)[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)CC1 ZINC000595457510 349632576 /nfs/dbraw/zinc/63/25/76/349632576.db2.gz BCYJJNSBCCICBG-QGZVFWFLSA-N 1 1 271.408 2.517 20 30 CFEDMO C[NH+](C)[C@@H]1CCCN(CCc2ccc(C#N)cc2)CC1 ZINC000595457510 349632578 /nfs/dbraw/zinc/63/25/78/349632578.db2.gz BCYJJNSBCCICBG-QGZVFWFLSA-N 1 1 271.408 2.517 20 30 CFEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@@H](C2CC2)O1 ZINC000595470817 349637085 /nfs/dbraw/zinc/63/70/85/349637085.db2.gz XBBJQCUPHYZVIJ-DYVFJYSZSA-N 1 1 270.376 2.600 20 30 CFEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000595515524 349648520 /nfs/dbraw/zinc/64/85/20/349648520.db2.gz WSFGCWXRULPGOJ-KURKYZTESA-N 1 1 284.403 2.726 20 30 CFEDMO CC1(C)C[C@@H]([N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)CO1 ZINC000595510654 349646727 /nfs/dbraw/zinc/64/67/27/349646727.db2.gz MIZQQTSJEYGMGN-OAGGEKHMSA-N 1 1 270.376 2.793 20 30 CFEDMO CC1(C)C[C@@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)CO1 ZINC000595510654 349646732 /nfs/dbraw/zinc/64/67/32/349646732.db2.gz MIZQQTSJEYGMGN-OAGGEKHMSA-N 1 1 270.376 2.793 20 30 CFEDMO N#CC[C@]1(O)CC[N@@H+](CCSc2cccc(Cl)c2)C1 ZINC000595557574 349658993 /nfs/dbraw/zinc/65/89/93/349658993.db2.gz KPJFPNWQTWURLI-AWEZNQCLSA-N 1 1 296.823 2.783 20 30 CFEDMO CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000595560357 349659649 /nfs/dbraw/zinc/65/96/49/349659649.db2.gz WYVVKJWSUOFKIK-HIFRSBDPSA-N 1 1 250.386 2.553 20 30 CFEDMO CC1(C)CCCC[C@H]1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000595560360 349659781 /nfs/dbraw/zinc/65/97/81/349659781.db2.gz WYVVKJWSUOFKIK-ZFWWWQNUSA-N 1 1 250.386 2.553 20 30 CFEDMO CC[C@H]1COC(C)(C)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595559704 349659819 /nfs/dbraw/zinc/65/98/19/349659819.db2.gz UWIXWYCEJMBUKJ-INIZCTEOSA-N 1 1 272.392 2.990 20 30 CFEDMO N#CCCN(C(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000595562479 349660836 /nfs/dbraw/zinc/66/08/36/349660836.db2.gz OLKRWAIGOSMKAN-RDJZCZTQSA-N 1 1 297.402 2.808 20 30 CFEDMO N#CCCN(C(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000595562479 349660840 /nfs/dbraw/zinc/66/08/40/349660840.db2.gz OLKRWAIGOSMKAN-RDJZCZTQSA-N 1 1 297.402 2.808 20 30 CFEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](CO)Cc1ccccc1 ZINC000595592447 349667140 /nfs/dbraw/zinc/66/71/40/349667140.db2.gz OTHLCXMEVADXTF-LJQANCHMSA-N 1 1 294.398 2.788 20 30 CFEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595610481 349674482 /nfs/dbraw/zinc/67/44/82/349674482.db2.gz ZQEJTWLYVMCSCQ-ZDUSSCGKSA-N 1 1 272.348 2.599 20 30 CFEDMO CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595610215 349674504 /nfs/dbraw/zinc/67/45/04/349674504.db2.gz TYWGJSWAALDKKW-JKSUJKDBSA-N 1 1 293.455 2.943 20 30 CFEDMO CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595610215 349674505 /nfs/dbraw/zinc/67/45/05/349674505.db2.gz TYWGJSWAALDKKW-JKSUJKDBSA-N 1 1 293.455 2.943 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](CCOc2ccccc2F)C1 ZINC000595609927 349674607 /nfs/dbraw/zinc/67/46/07/349674607.db2.gz QJKUOIVHDDYURX-ZDUSSCGKSA-N 1 1 262.328 2.830 20 30 CFEDMO CC1CCC(N(C)C(=O)C[N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595609106 349673451 /nfs/dbraw/zinc/67/34/51/349673451.db2.gz GLTRQXJEGWCZPQ-HWOWSKLDSA-N 1 1 291.439 2.649 20 30 CFEDMO CC1CCC(N(C)C(=O)C[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000595609106 349673455 /nfs/dbraw/zinc/67/34/55/349673455.db2.gz GLTRQXJEGWCZPQ-HWOWSKLDSA-N 1 1 291.439 2.649 20 30 CFEDMO CC(C)(C)CN1CCC[C@@H]([N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000595620021 349679430 /nfs/dbraw/zinc/67/94/30/349679430.db2.gz JRKAVDCEYLITDN-HUUCEWRRSA-N 1 1 291.439 2.649 20 30 CFEDMO CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595620796 349679788 /nfs/dbraw/zinc/67/97/88/349679788.db2.gz QVTCUQUHZPWLEF-GFCCVEGCSA-N 1 1 276.336 2.582 20 30 CFEDMO CCOC(=O)c1ccc(C[N@H+]2CCC[C@H](CC#N)C2)o1 ZINC000595620796 349679790 /nfs/dbraw/zinc/67/97/90/349679790.db2.gz QVTCUQUHZPWLEF-GFCCVEGCSA-N 1 1 276.336 2.582 20 30 CFEDMO CC(C)(C)CN1CCC[C@H]([N@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000595620019 349679842 /nfs/dbraw/zinc/67/98/42/349679842.db2.gz JRKAVDCEYLITDN-CABCVRRESA-N 1 1 291.439 2.649 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000354895451 529488938 /nfs/dbraw/zinc/48/89/38/529488938.db2.gz ZIIFULJBZVHLSP-KRWDZBQOSA-N 1 1 291.439 2.721 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000349893673 529489216 /nfs/dbraw/zinc/48/92/16/529489216.db2.gz NBNVGIYMUVDPHO-HOCLYGCPSA-N 1 1 279.428 2.555 20 30 CFEDMO Cn1c2ccccc2cc(C[N@H+]2CCC[C@@H](CC#N)C2)c1=O ZINC000595623223 349681032 /nfs/dbraw/zinc/68/10/32/349681032.db2.gz KGLBPAWYTBEORL-AWEZNQCLSA-N 1 1 295.386 2.664 20 30 CFEDMO C=C(CC)C[N@H+]1C[C@H](C(=O)OC)C[C@H](C(F)(F)F)C1 ZINC000595627664 349682584 /nfs/dbraw/zinc/68/25/84/349682584.db2.gz UMCFCTTZPOXJEJ-MNOVXSKESA-N 1 1 279.302 2.626 20 30 CFEDMO C[C@H]([NH2+]CCOc1ccccc1C#N)c1cscn1 ZINC000595669738 349695025 /nfs/dbraw/zinc/69/50/25/349695025.db2.gz ZHNNVSUDDKARQS-NSHDSACASA-N 1 1 273.361 2.744 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000595657926 349692491 /nfs/dbraw/zinc/69/24/91/349692491.db2.gz COWGNDFXKLDQMZ-UXLLHSPISA-N 1 1 291.439 2.717 20 30 CFEDMO Cc1ccc2c(c1)C[N@@H+](Cc1ccc(C#N)cn1)CC2 ZINC000595659224 349693133 /nfs/dbraw/zinc/69/31/33/349693133.db2.gz YCZSTLJMVIXICK-UHFFFAOYSA-N 1 1 263.344 2.820 20 30 CFEDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(C#N)cn1)CC2 ZINC000595659224 349693135 /nfs/dbraw/zinc/69/31/35/349693135.db2.gz YCZSTLJMVIXICK-UHFFFAOYSA-N 1 1 263.344 2.820 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccoc2C(=O)OC)C1 ZINC000595661384 349693639 /nfs/dbraw/zinc/69/36/39/349693639.db2.gz ZVXKIPMFJJTVCY-GFCCVEGCSA-N 1 1 263.337 2.854 20 30 CFEDMO C=CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)COC ZINC000595646985 349689359 /nfs/dbraw/zinc/68/93/59/349689359.db2.gz MWPQGAGNHLJVOA-LBPRGKRZSA-N 1 1 294.351 2.626 20 30 CFEDMO C=CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)COC ZINC000595646985 349689361 /nfs/dbraw/zinc/68/93/61/349689361.db2.gz MWPQGAGNHLJVOA-LBPRGKRZSA-N 1 1 294.351 2.626 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595689199 349701384 /nfs/dbraw/zinc/70/13/84/349701384.db2.gz NPXGBKIFUZMHJZ-XYPHTWIQSA-N 1 1 270.376 2.978 20 30 CFEDMO CCc1cc(CCC[N@@H+](CCC#N)CC2CC2)on1 ZINC000347730714 529527049 /nfs/dbraw/zinc/52/70/49/529527049.db2.gz CQKWVTSCXCALGF-UHFFFAOYSA-N 1 1 261.369 2.795 20 30 CFEDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000595675583 349696655 /nfs/dbraw/zinc/69/66/55/349696655.db2.gz NMFCMCGNIRHIEI-KBPBESRZSA-N 1 1 252.402 2.799 20 30 CFEDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000595676798 349696756 /nfs/dbraw/zinc/69/67/56/349696756.db2.gz OPGIDERZWRXCBM-WBMJQRKESA-N 1 1 276.355 2.680 20 30 CFEDMO C[C@@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000595676795 349696923 /nfs/dbraw/zinc/69/69/23/349696923.db2.gz OPGIDERZWRXCBM-BLLLJJGKSA-N 1 1 276.355 2.680 20 30 CFEDMO Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)CO)ccc1C#N ZINC000595679534 349697912 /nfs/dbraw/zinc/69/79/12/349697912.db2.gz WYCXELZNEWQNLX-PBHICJAKSA-N 1 1 272.392 2.850 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000595678712 349697926 /nfs/dbraw/zinc/69/79/26/349697926.db2.gz UFWVORMZNBRWBR-CJNGLKHVSA-N 1 1 288.391 2.550 20 30 CFEDMO Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)ccc1C#N ZINC000595679540 349698080 /nfs/dbraw/zinc/69/80/80/349698080.db2.gz WYCXELZNEWQNLX-YOEHRIQHSA-N 1 1 272.392 2.850 20 30 CFEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000595740966 349720733 /nfs/dbraw/zinc/72/07/33/349720733.db2.gz SREQRKWLRBVLEO-INIZCTEOSA-N 1 1 291.439 2.651 20 30 CFEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(CC2(C#N)CC2)C1 ZINC000595747456 349721810 /nfs/dbraw/zinc/72/18/10/349721810.db2.gz DSKQEDRKTBNIIA-KRWDZBQOSA-N 1 1 283.419 2.539 20 30 CFEDMO C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CCCC#N)C1 ZINC000595747831 349721880 /nfs/dbraw/zinc/72/18/80/349721880.db2.gz HEVOUQGANIHYAO-QGZVFWFLSA-N 1 1 271.408 2.539 20 30 CFEDMO C[C@@H](CCC#N)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000595747447 349721942 /nfs/dbraw/zinc/72/19/42/349721942.db2.gz DQESLUDBAWMPST-FUHWJXTLSA-N 1 1 285.435 2.927 20 30 CFEDMO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000595747447 349721944 /nfs/dbraw/zinc/72/19/44/349721944.db2.gz DQESLUDBAWMPST-FUHWJXTLSA-N 1 1 285.435 2.927 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](N(C)CCc2ccccc2)C1 ZINC000595747447 349721948 /nfs/dbraw/zinc/72/19/48/349721948.db2.gz DQESLUDBAWMPST-FUHWJXTLSA-N 1 1 285.435 2.927 20 30 CFEDMO C[C@]12COC[C@@H]1C[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000595755650 349723428 /nfs/dbraw/zinc/72/34/28/349723428.db2.gz CDNWDHDXQUJBBG-ZFWWWQNUSA-N 1 1 276.767 2.680 20 30 CFEDMO CCC1(CC)CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000595753755 349724175 /nfs/dbraw/zinc/72/41/75/349724175.db2.gz XRJNNKOENYUKDW-INIZCTEOSA-N 1 1 299.418 2.987 20 30 CFEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H]1CCO ZINC000595706926 349712332 /nfs/dbraw/zinc/71/23/32/349712332.db2.gz YVGAHHSFWCXQNI-MLGOLLRUSA-N 1 1 276.355 2.680 20 30 CFEDMO N#CCSCCC[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595821762 349742341 /nfs/dbraw/zinc/74/23/41/349742341.db2.gz 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ZINC000170768788 348060674 /nfs/dbraw/zinc/06/06/74/348060674.db2.gz SKKTYFVJJHVDPZ-UHFFFAOYSA-N 1 1 295.342 2.851 20 30 CFEDMO COC(=O)[C@H](c1ccccc1)[N@H+](C)CCCCC#N ZINC000265551320 348321174 /nfs/dbraw/zinc/32/11/74/348321174.db2.gz YUOQKUBBHAOYFV-AWEZNQCLSA-N 1 1 260.337 2.526 20 30 CFEDMO COC(=O)[C@H](c1ccccc1)[N@@H+](C)CCCCC#N ZINC000265551320 348321176 /nfs/dbraw/zinc/32/11/76/348321176.db2.gz YUOQKUBBHAOYFV-AWEZNQCLSA-N 1 1 260.337 2.526 20 30 CFEDMO COc1ccc(C[NH2+]CC2(C#N)CC2)cc1Br ZINC000258908775 348308051 /nfs/dbraw/zinc/30/80/51/348308051.db2.gz LUJWKLAZFYBRPZ-UHFFFAOYSA-N 1 1 295.180 2.851 20 30 CFEDMO N#CC1(C[NH2+]Cc2ccc(Br)cc2)CC1 ZINC000258993305 348308598 /nfs/dbraw/zinc/30/85/98/348308598.db2.gz VUTVVJHELSDJDF-UHFFFAOYSA-N 1 1 265.154 2.842 20 30 CFEDMO N#Cc1ccc(F)cc1C[N@H+](CCO)CCc1ccccc1 ZINC000305015328 348380619 /nfs/dbraw/zinc/38/06/19/348380619.db2.gz DTXFGWDJDXJKOR-UHFFFAOYSA-N 1 1 298.361 2.734 20 30 CFEDMO N#Cc1ccc(F)cc1C[N@@H+](CCO)CCc1ccccc1 ZINC000305015328 348380622 /nfs/dbraw/zinc/38/06/22/348380622.db2.gz DTXFGWDJDXJKOR-UHFFFAOYSA-N 1 1 298.361 2.734 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000305401901 348381325 /nfs/dbraw/zinc/38/13/25/348381325.db2.gz MNKIHWOXKZILGC-LBPRGKRZSA-N 1 1 254.255 2.942 20 30 CFEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000305401901 348381328 /nfs/dbraw/zinc/38/13/28/348381328.db2.gz MNKIHWOXKZILGC-LBPRGKRZSA-N 1 1 254.255 2.942 20 30 CFEDMO C[C@@H](CC#N)[NH2+]Cc1ccc(Br)c(F)c1 ZINC000308889181 348405099 /nfs/dbraw/zinc/40/50/99/348405099.db2.gz WVMRWPOAVYSQOR-QMMMGPOBSA-N 1 1 271.133 2.980 20 30 CFEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)[C@H](C)C1 ZINC000311271228 348412304 /nfs/dbraw/zinc/41/23/04/348412304.db2.gz KWXFHZKIPGTIKI-CJNGLKHVSA-N 1 1 258.365 2.866 20 30 CFEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1ncc(C#N)cc1F ZINC000413073593 233013797 /nfs/dbraw/zinc/01/37/97/233013797.db2.gz OPEOVRZUIGRRFQ-VXGBXAGGSA-N 1 1 276.359 2.625 20 30 CFEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc(C#N)cc1F ZINC000413073591 233014483 /nfs/dbraw/zinc/01/44/83/233014483.db2.gz OPEOVRZUIGRRFQ-NWDGAFQWSA-N 1 1 276.359 2.625 20 30 CFEDMO CCc1nc(C#N)cc(NCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000308183992 348403215 /nfs/dbraw/zinc/40/32/15/348403215.db2.gz ZGVVCKPUFOHRFI-CYBMUJFWSA-N 1 1 287.411 2.587 20 30 CFEDMO CC[N@H+]1CCCC[C@@H]1CNc1nccc(C)c1C#N ZINC000273374520 192130851 /nfs/dbraw/zinc/13/08/51/192130851.db2.gz SDNNKJNHCMVHKI-CYBMUJFWSA-N 1 1 258.369 2.548 20 30 CFEDMO Cc1ccncc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000340107512 539639909 /nfs/dbraw/zinc/63/99/09/539639909.db2.gz FTKSKTHJSUTSAY-UHFFFAOYSA-N 1 1 292.386 2.584 20 30 CFEDMO CC[C@@H](C#N)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000323548890 348438212 /nfs/dbraw/zinc/43/82/12/348438212.db2.gz AGXJILHTXMITIZ-WBVHZDCISA-N 1 1 299.418 2.517 20 30 CFEDMO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC#N ZINC000351247241 348489212 /nfs/dbraw/zinc/48/92/12/348489212.db2.gz FROOTYWPVHBYQV-ZWNOBZJWSA-N 1 1 252.745 2.919 20 30 CFEDMO C[C@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@]2(CCCOC2)O1 ZINC000366482543 348512674 /nfs/dbraw/zinc/51/26/74/348512674.db2.gz HOYWAVYMZRWWPZ-HOCLYGCPSA-N 1 1 280.412 2.586 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)N[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000367228204 348514165 /nfs/dbraw/zinc/51/41/65/348514165.db2.gz AFRWPGBALBWTJC-YOEHRIQHSA-N 1 1 291.439 2.840 20 30 CFEDMO CC[C@@H](C#N)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379709291 348522317 /nfs/dbraw/zinc/52/23/17/348522317.db2.gz YNSKDDCIRRQLJS-ZBFHGGJFSA-N 1 1 287.407 2.563 20 30 CFEDMO CC[C@@H](C#N)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000383089402 348531244 /nfs/dbraw/zinc/53/12/44/348531244.db2.gz POTWWXXLCIFVCK-RDJZCZTQSA-N 1 1 299.418 2.659 20 30 CFEDMO C[N@H+](CCOCc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000384313010 348532666 /nfs/dbraw/zinc/53/26/66/348532666.db2.gz OVIMDMUMKZCXET-JKSUJKDBSA-N 1 1 258.365 2.827 20 30 CFEDMO C[N@@H+](CCOCc1ccccc1)[C@@H]1CCC[C@H]1C#N ZINC000384313010 348532670 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COc1ccc(OCC[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000397709424 348563571 /nfs/dbraw/zinc/56/35/71/348563571.db2.gz URVNAJPKZOEVJU-AWEZNQCLSA-N 1 1 274.364 2.700 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000397710301 348563611 /nfs/dbraw/zinc/56/36/11/348563611.db2.gz UXCJREBMTTZBFV-HNNXBMFYSA-N 1 1 270.376 2.790 20 30 CFEDMO COc1ccc(CC[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000397801796 348564197 /nfs/dbraw/zinc/56/41/97/348564197.db2.gz GDJNFMWEFZZWSI-HNNXBMFYSA-N 1 1 258.365 2.863 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000397856818 348565094 /nfs/dbraw/zinc/56/50/94/348565094.db2.gz UDEICIAOHMQSBT-OAHLLOKOSA-N 1 1 258.365 2.829 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000397828074 348565115 /nfs/dbraw/zinc/56/51/15/348565115.db2.gz MPBOSCPKYFMVKZ-LBPRGKRZSA-N 1 1 259.309 2.720 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000397828074 348565119 /nfs/dbraw/zinc/56/51/19/348565119.db2.gz MPBOSCPKYFMVKZ-LBPRGKRZSA-N 1 1 259.309 2.720 20 30 CFEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)C#N ZINC000527302763 348646526 /nfs/dbraw/zinc/64/65/26/348646526.db2.gz VQBAOHLYTKUSPG-IGEMTJHASA-N 1 1 259.309 2.747 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCCC(C)(C)C1 ZINC000446066237 348618245 /nfs/dbraw/zinc/61/82/45/348618245.db2.gz JRHCXQQCMKOSGD-RHSMWYFYSA-N 1 1 293.455 2.941 20 30 CFEDMO C=CCC1(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCCC1 ZINC000449866100 348619994 /nfs/dbraw/zinc/61/99/94/348619994.db2.gz BUYUYYSWMCANCZ-OAHLLOKOSA-N 1 1 278.440 2.923 20 30 CFEDMO Cc1c(Cl)cnc(NCCCC[N@H+](C)C2CC2)c1C#N ZINC000413344438 233056722 /nfs/dbraw/zinc/05/67/22/233056722.db2.gz CWYQHAOMLLMZPR-UHFFFAOYSA-N 1 1 292.814 2.623 20 30 CFEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ncccc1F)CC2 ZINC000584689795 348705436 /nfs/dbraw/zinc/70/54/36/348705436.db2.gz GMAGQHACISULJA-HNNXBMFYSA-N 1 1 267.307 2.869 20 30 CFEDMO Cc1cc(C#N)cc(N2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000587375042 348761837 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CCC[N@@H+](CC)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000589350946 348829299 /nfs/dbraw/zinc/82/92/99/348829299.db2.gz CGWOBEFAIGSEBW-QLFBSQMISA-N 1 1 251.418 2.779 20 30 CFEDMO CCC[N@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000589350946 348829302 /nfs/dbraw/zinc/82/93/02/348829302.db2.gz CGWOBEFAIGSEBW-QLFBSQMISA-N 1 1 251.418 2.779 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H]1CCC[C@H](C#N)C1 ZINC000589350946 348829305 /nfs/dbraw/zinc/82/93/05/348829305.db2.gz CGWOBEFAIGSEBW-QLFBSQMISA-N 1 1 251.418 2.779 20 30 CFEDMO COCC[N@@H+](CCC#N)C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000589498540 348835840 /nfs/dbraw/zinc/83/58/40/348835840.db2.gz XWTQNHMEQJJMGV-ZFWWWQNUSA-N 1 1 250.386 2.841 20 30 CFEDMO C[N@H+]1CC[C@]2(CCN(c3nc(C(C)(C)C)ccc3C#N)C2)C1 ZINC000589879263 348863125 /nfs/dbraw/zinc/86/31/25/348863125.db2.gz ZYVPFWGAJGVIJZ-SFHVURJKSA-N 1 1 298.434 2.783 20 30 CFEDMO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000590119675 348875454 /nfs/dbraw/zinc/87/54/54/348875454.db2.gz QHGNVXGXXSGTJE-JKSUJKDBSA-N 1 1 273.376 2.766 20 30 CFEDMO C=C[C@H](C(=O)OC)[N@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000590119675 348875458 /nfs/dbraw/zinc/87/54/58/348875458.db2.gz QHGNVXGXXSGTJE-JKSUJKDBSA-N 1 1 273.376 2.766 20 30 CFEDMO C[C@@H]1CN(c2nc(C(C)(C)C)ccc2C#N)C[C@H](C)[N@@H+]1C ZINC000590146270 348878222 /nfs/dbraw/zinc/87/82/22/348878222.db2.gz DWNGEHQZCPWXRD-BETUJISGSA-N 1 1 286.423 2.780 20 30 CFEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)C1 ZINC000590170160 348882255 /nfs/dbraw/zinc/88/22/55/348882255.db2.gz BGHSKGAJHWIKHD-FPCVCCKLSA-N 1 1 262.397 2.817 20 30 CFEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)C1 ZINC000590173204 348882738 /nfs/dbraw/zinc/88/27/38/348882738.db2.gz PKNKGUJYCBQLCV-INWMFGNUSA-N 1 1 274.339 2.971 20 30 CFEDMO COc1c(C)c[nH+]c(CN(C)Cc2ccnc(C#N)c2)c1C ZINC000590754303 348942625 /nfs/dbraw/zinc/94/26/25/348942625.db2.gz SMGLWPFUWIKVFE-UHFFFAOYSA-N 1 1 296.374 2.606 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCCc3ccccc3CC2)ccn1 ZINC000590759345 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Cc1ncc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)n1C ZINC000596980208 350011279 /nfs/dbraw/zinc/01/12/79/350011279.db2.gz VXJPASUQKFXFAU-UHFFFAOYSA-N 1 1 280.375 2.765 20 30 CFEDMO Cc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)n1C ZINC000596980208 350011283 /nfs/dbraw/zinc/01/12/83/350011283.db2.gz VXJPASUQKFXFAU-UHFFFAOYSA-N 1 1 280.375 2.765 20 30 CFEDMO Cc1[nH+]cc(CN(Cc2ccc(C#N)cc2)C2CC2)n1C ZINC000596980208 350011285 /nfs/dbraw/zinc/01/12/85/350011285.db2.gz VXJPASUQKFXFAU-UHFFFAOYSA-N 1 1 280.375 2.765 20 30 CFEDMO CN(C)[C@H]1CCC[N@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995652 350013298 /nfs/dbraw/zinc/01/32/98/350013298.db2.gz OSOUVZINUHHROW-KRWDZBQOSA-N 1 1 283.419 2.768 20 30 CFEDMO CN(C)[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000596995652 350013302 /nfs/dbraw/zinc/01/33/02/350013302.db2.gz OSOUVZINUHHROW-KRWDZBQOSA-N 1 1 283.419 2.768 20 30 CFEDMO CCC(CC)CN(CCC#N)Cc1c[nH+]c(C)n1C ZINC000596996586 350014592 /nfs/dbraw/zinc/01/45/92/350014592.db2.gz UYWDATRCRGWREG-UHFFFAOYSA-N 1 1 262.401 2.880 20 30 CFEDMO N#CC1(c2ccc(C[N@H+]3CCOC[C@@H]3C3CC3)cc2)CC1 ZINC000597011572 350016421 /nfs/dbraw/zinc/01/64/21/350016421.db2.gz CVEOHSLJQMVSLQ-QGZVFWFLSA-N 1 1 282.387 2.853 20 30 CFEDMO C[N@@H+](CCc1cnccn1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597080806 350025848 /nfs/dbraw/zinc/02/58/48/350025848.db2.gz NZEOFERYCKCUGG-UHFFFAOYSA-N 1 1 292.386 2.706 20 30 CFEDMO Cc1c(Br)cncc1C[NH2+]CC(C)(C)C#N ZINC000597082022 350026439 /nfs/dbraw/zinc/02/64/39/350026439.db2.gz FKEHLTKLRGSSHN-UHFFFAOYSA-N 1 1 282.185 2.792 20 30 CFEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597090004 350029068 /nfs/dbraw/zinc/02/90/68/350029068.db2.gz ZNBQIJGXKBHPKM-GJZGRUSLSA-N 1 1 283.419 2.766 20 30 CFEDMO C[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)CN1C ZINC000597090004 350029071 /nfs/dbraw/zinc/02/90/71/350029071.db2.gz ZNBQIJGXKBHPKM-GJZGRUSLSA-N 1 1 283.419 2.766 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)CN1C ZINC000597090004 350029074 /nfs/dbraw/zinc/02/90/74/350029074.db2.gz ZNBQIJGXKBHPKM-GJZGRUSLSA-N 1 1 283.419 2.766 20 30 CFEDMO CN(C)CCC[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597127627 350034293 /nfs/dbraw/zinc/03/42/93/350034293.db2.gz PFCGAGSKGXWARN-UHFFFAOYSA-N 1 1 271.408 2.625 20 30 CFEDMO CN(C)CCC[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597127627 350034295 /nfs/dbraw/zinc/03/42/95/350034295.db2.gz PFCGAGSKGXWARN-UHFFFAOYSA-N 1 1 271.408 2.625 20 30 CFEDMO CC(C)[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)C1COC1 ZINC000597134646 350036395 /nfs/dbraw/zinc/03/63/95/350036395.db2.gz JKYBXHZTTJYVCE-UHFFFAOYSA-N 1 1 270.376 2.851 20 30 CFEDMO C=CCC[C@@H]([NH2+][C@H]1CCCC12CC2)C(=O)OCC ZINC000597153224 350040216 /nfs/dbraw/zinc/04/02/16/350040216.db2.gz XPZKJWSGDZVNHG-OLZOCXBDSA-N 1 1 251.370 2.807 20 30 CFEDMO CCCOc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)c(C)c1 ZINC000597157438 350041291 /nfs/dbraw/zinc/04/12/91/350041291.db2.gz QIJZKXGTTBWRAO-QGZVFWFLSA-N 1 1 288.391 2.634 20 30 CFEDMO CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597176138 350044379 /nfs/dbraw/zinc/04/43/79/350044379.db2.gz FTIAVONGBMLQDZ-AWEZNQCLSA-N 1 1 271.364 2.771 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000597176116 350044595 /nfs/dbraw/zinc/04/45/95/350044595.db2.gz FLSVUTWLPNLFEY-LBPRGKRZSA-N 1 1 270.336 2.795 20 30 CFEDMO CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597176154 350044698 /nfs/dbraw/zinc/04/46/98/350044698.db2.gz GAGGTVVVDZWCGT-CYBMUJFWSA-N 1 1 274.412 2.671 20 30 CFEDMO CCc1oc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1C(=O)OC ZINC000597178016 350045638 /nfs/dbraw/zinc/04/56/38/350045638.db2.gz TWAZUGOLGQQUML-GFCCVEGCSA-N 1 1 290.363 2.754 20 30 CFEDMO CCc1oc(C[N@H+]2CCC[C@H](CC#N)C2)cc1C(=O)OC ZINC000597178016 350045641 /nfs/dbraw/zinc/04/56/41/350045641.db2.gz TWAZUGOLGQQUML-GFCCVEGCSA-N 1 1 290.363 2.754 20 30 CFEDMO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](CC#N)C1)OCO2 ZINC000597177022 350045728 /nfs/dbraw/zinc/04/57/28/350045728.db2.gz LREZSCMOKDTJPT-LBPRGKRZSA-N 1 1 288.347 2.550 20 30 CFEDMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](CC#N)C1)OCO2 ZINC000597177022 350045731 /nfs/dbraw/zinc/04/57/31/350045731.db2.gz LREZSCMOKDTJPT-LBPRGKRZSA-N 1 1 288.347 2.550 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)n(C)c2)C1 ZINC000597187990 350047731 /nfs/dbraw/zinc/04/77/31/350047731.db2.gz WALYZSVYBYWPKM-ZDUSSCGKSA-N 1 1 276.380 2.600 20 30 CFEDMO N#C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2nc[nH]c2c1 ZINC000597199232 350052982 /nfs/dbraw/zinc/05/29/82/350052982.db2.gz SXZDTYIZVWOYBF-STQMWFEESA-N 1 1 254.337 2.735 20 30 CFEDMO C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@](C)(C#N)C2)CCO1 ZINC000597231429 350065670 /nfs/dbraw/zinc/06/56/70/350065670.db2.gz NSOBCIFMKNWVCG-CRAIPNDOSA-N 1 1 299.418 2.647 20 30 CFEDMO C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@](C)(C#N)C2)CCO1 ZINC000597231429 350065671 /nfs/dbraw/zinc/06/56/71/350065671.db2.gz NSOBCIFMKNWVCG-CRAIPNDOSA-N 1 1 299.418 2.647 20 30 CFEDMO C[C@]1(C#N)CC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000597232688 350065755 /nfs/dbraw/zinc/06/57/55/350065755.db2.gz VLUWGZKYECGMJY-CQSZACIVSA-N 1 1 272.377 2.669 20 30 CFEDMO C[C@]1(C#N)CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000597232688 350065756 /nfs/dbraw/zinc/06/57/56/350065756.db2.gz VLUWGZKYECGMJY-CQSZACIVSA-N 1 1 272.377 2.669 20 30 CFEDMO Cn1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(-c2ccccc2)n1 ZINC000597233024 350066555 /nfs/dbraw/zinc/06/65/55/350066555.db2.gz ZJIYIWMECMBGAG-KRWDZBQOSA-N 1 1 280.375 2.823 20 30 CFEDMO Cn1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c(-c2ccccc2)n1 ZINC000597233024 350066558 /nfs/dbraw/zinc/06/65/58/350066558.db2.gz ZJIYIWMECMBGAG-KRWDZBQOSA-N 1 1 280.375 2.823 20 30 CFEDMO C[C@H](CC#N)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000597458671 350099784 /nfs/dbraw/zinc/09/97/84/350099784.db2.gz RYCHWFLEEJCQOX-OAGGEKHMSA-N 1 1 299.418 2.658 20 30 CFEDMO C[C@H](CC#N)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000597458670 350099922 /nfs/dbraw/zinc/09/99/22/350099922.db2.gz RYCHWFLEEJCQOX-BZUAXINKSA-N 1 1 299.418 2.658 20 30 CFEDMO C[C@H](NC(=O)CC1(C#N)CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000597489685 350103268 /nfs/dbraw/zinc/10/32/68/350103268.db2.gz ZMCMDDLANJIPSN-AWEZNQCLSA-N 1 1 289.423 2.617 20 30 CFEDMO C=CCOc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000090720513 180030154 /nfs/dbraw/zinc/03/01/54/180030154.db2.gz KXXGQHSCNPEDRQ-HOCLYGCPSA-N 1 1 274.408 2.824 20 30 CFEDMO C=CCOc1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000090720513 180030157 /nfs/dbraw/zinc/03/01/57/180030157.db2.gz KXXGQHSCNPEDRQ-HOCLYGCPSA-N 1 1 274.408 2.824 20 30 CFEDMO C=CCOc1ccc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000090720513 180030159 /nfs/dbraw/zinc/03/01/59/180030159.db2.gz KXXGQHSCNPEDRQ-HOCLYGCPSA-N 1 1 274.408 2.824 20 30 CFEDMO C[N@@H+](CCCCNC(=O)CC1(C#N)CCCCC1)C1CC1 ZINC000597754376 350132300 /nfs/dbraw/zinc/13/23/00/350132300.db2.gz BWERJCFKCXATJT-UHFFFAOYSA-N 1 1 291.439 2.841 20 30 CFEDMO C[N@H+]1CCC[C@H](CCNC(=O)CC2(C#N)CCCCC2)C1 ZINC000597763104 350133368 /nfs/dbraw/zinc/13/33/68/350133368.db2.gz CTMORIDVGVFNBN-OAHLLOKOSA-N 1 1 291.439 2.699 20 30 CFEDMO CC(C)[N@@H+](C)CCCNc1snc(Cl)c1C#N ZINC000271349508 191088367 /nfs/dbraw/zinc/08/83/67/191088367.db2.gz SPXUFYWFDZTPOF-UHFFFAOYSA-N 1 1 272.805 2.810 20 30 CFEDMO C=CC[N@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)C1CC1 ZINC000271351693 191090396 /nfs/dbraw/zinc/09/03/96/191090396.db2.gz DFVWJDKXYPYWRW-INIZCTEOSA-N 1 1 299.418 2.664 20 30 CFEDMO COCC#CC[N@H+]1CCC[C@@H](Cc2ccc(OC)cc2)C1 ZINC000677817726 539790699 /nfs/dbraw/zinc/79/06/99/539790699.db2.gz QJLOEOIXLHHYSH-KRWDZBQOSA-N 1 1 287.403 2.600 20 30 CFEDMO C[C@@]1(C#N)CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000598415334 350263546 /nfs/dbraw/zinc/26/35/46/350263546.db2.gz OHBBGMQYTSVOTJ-WBVHZDCISA-N 1 1 289.423 2.546 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000598620692 350295707 /nfs/dbraw/zinc/29/57/07/350295707.db2.gz NFVIVXPGBIJXPA-HIFRSBDPSA-N 1 1 282.453 2.506 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](CCC1CC1)CC1CC1 ZINC000598628961 350297709 /nfs/dbraw/zinc/29/77/09/350297709.db2.gz VVDWAWBMLIERTD-OAHLLOKOSA-N 1 1 264.413 2.799 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000598646190 350300671 /nfs/dbraw/zinc/30/06/71/350300671.db2.gz CQIHAGFWRKQEEX-HNNXBMFYSA-N 1 1 288.391 2.550 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CC(C)(C)CC[C@@H]1CO ZINC000598645929 350300776 /nfs/dbraw/zinc/30/07/76/350300776.db2.gz AIVFPVXLDWIXBI-OAHLLOKOSA-N 1 1 288.391 2.550 20 30 CFEDMO COc1nc(C)cc(C)c1C[N@H+](C)[C@H](C)CCC#N ZINC000598647253 350301740 /nfs/dbraw/zinc/30/17/40/350301740.db2.gz ABABQSWRGWWVIX-CYBMUJFWSA-N 1 1 261.369 2.831 20 30 CFEDMO COc1nc(C)cc(C)c1C[N@@H+](C)[C@H](C)CCC#N ZINC000598647253 350301742 /nfs/dbraw/zinc/30/17/42/350301742.db2.gz ABABQSWRGWWVIX-CYBMUJFWSA-N 1 1 261.369 2.831 20 30 CFEDMO N#CCCOCC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000598650302 350303205 /nfs/dbraw/zinc/30/32/05/350303205.db2.gz NFUZDPFGQNFJAN-LBPRGKRZSA-N 1 1 260.328 2.720 20 30 CFEDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)CC(C)(C)C#N)CC12CC=CC2 ZINC000598706246 350314275 /nfs/dbraw/zinc/31/42/75/350314275.db2.gz PTSDLTYROZZKMD-CABCVRRESA-N 1 1 276.424 2.964 20 30 CFEDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC12CC=CC2 ZINC000598706248 350314573 /nfs/dbraw/zinc/31/45/73/350314573.db2.gz PTSDLTYROZZKMD-GJZGRUSLSA-N 1 1 276.424 2.964 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000598705718 350314609 /nfs/dbraw/zinc/31/46/09/350314609.db2.gz MOSLJRJNPSDMOI-UONOGXRCSA-N 1 1 262.397 2.552 20 30 CFEDMO C=CCCSCCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000598764222 350325873 /nfs/dbraw/zinc/32/58/73/350325873.db2.gz BOXJXKBROQCNBD-CQSZACIVSA-N 1 1 284.469 2.676 20 30 CFEDMO Cc1ccccc1OCC[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598585001 350286244 /nfs/dbraw/zinc/28/62/44/350286244.db2.gz NBUPKMOYQKVALJ-OAHLLOKOSA-N 1 1 290.407 2.606 20 30 CFEDMO C[N@@H+](CCCc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598590243 350287276 /nfs/dbraw/zinc/28/72/76/350287276.db2.gz SQKUSLIQLVLOME-INIZCTEOSA-N 1 1 274.408 2.852 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000598588468 350287579 /nfs/dbraw/zinc/28/75/79/350287579.db2.gz AIFMNBVNCVRXKQ-KBPBESRZSA-N 1 1 250.386 2.552 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC(C)(C)CC1 ZINC000598592320 350288119 /nfs/dbraw/zinc/28/81/19/350288119.db2.gz JKUMZLPEBRDNPY-CYBMUJFWSA-N 1 1 252.402 2.799 20 30 CFEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)CC(C)(C)C#N ZINC000598591363 350288199 /nfs/dbraw/zinc/28/81/99/350288199.db2.gz AGRWJFSHSVJQSY-HNNXBMFYSA-N 1 1 279.428 2.939 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000598592441 350288413 /nfs/dbraw/zinc/28/84/13/350288413.db2.gz IQOCQQVPDLUGNI-WMZOPIPTSA-N 1 1 286.419 2.951 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000598592277 350288416 /nfs/dbraw/zinc/28/84/16/350288416.db2.gz IQYAPEWFVUJNGE-SJORKVTESA-N 1 1 286.419 2.852 20 30 CFEDMO CC(C)[C@@H]1CCCC[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598592779 350288464 /nfs/dbraw/zinc/28/84/64/350288464.db2.gz MWRYGKPERPYCBO-KGLIPLIRSA-N 1 1 252.402 2.798 20 30 CFEDMO CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)CC(C)(C)C#N)C12CCC2 ZINC000598593692 350289061 /nfs/dbraw/zinc/28/90/61/350289061.db2.gz VWLSYLLJPJQQDQ-QLFBSQMISA-N 1 1 294.439 2.567 20 30 CFEDMO CCC1(CC)[C@H](OC)C[C@@H]1[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598596811 350290128 /nfs/dbraw/zinc/29/01/28/350290128.db2.gz ADCXGPHUHGKQAL-QLFBSQMISA-N 1 1 296.455 2.813 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000598602862 350292091 /nfs/dbraw/zinc/29/20/91/350292091.db2.gz CHZOYUOTSLDWGM-OAHLLOKOSA-N 1 1 284.403 2.835 20 30 CFEDMO Cc1nc([C@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)cs1 ZINC000598607167 350292702 /nfs/dbraw/zinc/29/27/02/350292702.db2.gz ITEBRMOWTZUUGK-GXTWGEPZSA-N 1 1 293.436 2.889 20 30 CFEDMO Cc1nc([C@H]2CCC[N@H+]2C[C@H](O)CC(C)(C)C#N)cs1 ZINC000598607174 350292969 /nfs/dbraw/zinc/29/29/69/350292969.db2.gz ITEBRMOWTZUUGK-TZMCWYRMSA-N 1 1 293.436 2.889 20 30 CFEDMO C[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H]1CCC(C)(C)C1 ZINC000598612641 350293589 /nfs/dbraw/zinc/29/35/89/350293589.db2.gz ZITNHXMWQXIMEF-OLZOCXBDSA-N 1 1 252.402 2.798 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000598617057 350294528 /nfs/dbraw/zinc/29/45/28/350294528.db2.gz PEQULQAJTURDCV-JKSUJKDBSA-N 1 1 287.407 2.562 20 30 CFEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598615888 350294627 /nfs/dbraw/zinc/29/46/27/350294627.db2.gz MGISSLRPEFXKLA-ZOBORPQBSA-N 1 1 252.402 2.654 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000598616703 350294759 /nfs/dbraw/zinc/29/47/59/350294759.db2.gz FHFGECFZVIONEY-MJBXVCDLSA-N 1 1 264.413 2.798 20 30 CFEDMO CC[C@@H]1CC[C@H](C)[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598619162 350294892 /nfs/dbraw/zinc/29/48/92/350294892.db2.gz CFZAZDSVRVHADO-MJBXVCDLSA-N 1 1 252.402 2.798 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000598622150 350295364 /nfs/dbraw/zinc/29/53/64/350295364.db2.gz YHCBSEKLDJFKMR-RDJZCZTQSA-N 1 1 290.382 2.858 20 30 CFEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598620408 350295542 /nfs/dbraw/zinc/29/55/42/350295542.db2.gz DLZBACBJRFGTKO-XJKSGUPXSA-N 1 1 292.398 2.989 20 30 CFEDMO C[C@@H](NCc1cccc(C#N)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000598894902 350345668 /nfs/dbraw/zinc/34/56/68/350345668.db2.gz IHIFDTBEABXWAU-RDTXWAMCSA-N 1 1 294.402 2.734 20 30 CFEDMO C[C@H]1C(=O)Nc2ccccc2C[N@H+]1CCCCC#N ZINC000598948627 350348274 /nfs/dbraw/zinc/34/82/74/350348274.db2.gz IBLPUORUPVSYJI-LBPRGKRZSA-N 1 1 257.337 2.523 20 30 CFEDMO C[C@H]1C(=O)Nc2ccccc2C[N@@H+]1CCCCC#N ZINC000598948627 350348278 /nfs/dbraw/zinc/34/82/78/350348278.db2.gz IBLPUORUPVSYJI-LBPRGKRZSA-N 1 1 257.337 2.523 20 30 CFEDMO COCC#CC[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000677819794 539794152 /nfs/dbraw/zinc/79/41/52/539794152.db2.gz AKWAOFYRPSWXGN-CJNGLKHVSA-N 1 1 261.340 2.858 20 30 CFEDMO C[C@@H](CC#N)C(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000598807852 350331703 /nfs/dbraw/zinc/33/17/03/350331703.db2.gz 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ZINC000600124360 350514987 /nfs/dbraw/zinc/51/49/87/350514987.db2.gz ROZQHZVDAGRNAE-UHFFFAOYSA-N 1 1 253.305 2.713 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC000600134975 350516796 /nfs/dbraw/zinc/51/67/96/350516796.db2.gz AARUDYMPLMHHDL-UHFFFAOYSA-N 1 1 264.369 2.816 20 30 CFEDMO CC(C)(C)C[N@@H+](CCCO)CCOc1ccccc1C#N ZINC000106934782 186152725 /nfs/dbraw/zinc/15/27/25/186152725.db2.gz MVYHSKSVEODQOV-UHFFFAOYSA-N 1 1 290.407 2.668 20 30 CFEDMO CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000600167959 350528632 /nfs/dbraw/zinc/52/86/32/350528632.db2.gz VBUHDSLAEBCJQZ-QLFBSQMISA-N 1 1 250.386 2.553 20 30 CFEDMO COc1cc(C[NH2+]CC(C)(C)C#N)ccc1Cl ZINC000600144142 350519524 /nfs/dbraw/zinc/51/95/24/350519524.db2.gz IIVHDOCZHFCHKV-UHFFFAOYSA-N 1 1 252.745 2.988 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1Cc1cccc(C(=O)OCC)n1 ZINC000600155824 350523131 /nfs/dbraw/zinc/52/31/31/350523131.db2.gz IICVGHVEJLMOKU-AWEZNQCLSA-N 1 1 274.364 2.799 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cccc(C(=O)OCC)n1 ZINC000600155824 350523136 /nfs/dbraw/zinc/52/31/36/350523136.db2.gz IICVGHVEJLMOKU-AWEZNQCLSA-N 1 1 274.364 2.799 20 30 CFEDMO CCC(C#N)(CC)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000600228946 350543820 /nfs/dbraw/zinc/54/38/20/350543820.db2.gz IBSSXZKGRHTQLY-HNNXBMFYSA-N 1 1 291.439 2.840 20 30 CFEDMO Cn1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000335517078 282710317 /nfs/dbraw/zinc/71/03/17/282710317.db2.gz MAFLIJLXLHPNRG-QGZVFWFLSA-N 1 1 280.375 2.849 20 30 CFEDMO C=CC[N@H+](Cc1cncc(Br)c1)C1CC1 ZINC000271391296 191112213 /nfs/dbraw/zinc/11/22/13/191112213.db2.gz KALYXASMQXTCHZ-UHFFFAOYSA-N 1 1 267.170 2.995 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000600617511 350582008 /nfs/dbraw/zinc/58/20/08/350582008.db2.gz KNUFXRBYLWKWRW-RIEGTJTDSA-N 1 1 275.302 2.854 20 30 CFEDMO CCCC[N@@H+](CCOC)Cc1cc(C#N)ccc1F ZINC000109333416 186247682 /nfs/dbraw/zinc/24/76/82/186247682.db2.gz HIYMRRWIFBWDNC-UHFFFAOYSA-N 1 1 264.344 2.946 20 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295.390 2.898 20 30 CFEDMO Cn1nc2c(c1C[NH2+]CC1(C#N)CCCCC1)CCCC2 ZINC000601132581 350677724 /nfs/dbraw/zinc/67/77/24/350677724.db2.gz JZWWWSSXFMBZPV-UHFFFAOYSA-N 1 1 286.423 2.863 20 30 CFEDMO Cc1ccc(C[N@@H+]2CC[C@@H](NCc3ccc(C#N)o3)C2)cc1 ZINC000601160209 350685038 /nfs/dbraw/zinc/68/50/38/350685038.db2.gz UUWWGDXWITWHFG-MRXNPFEDSA-N 1 1 295.386 2.824 20 30 CFEDMO Cc1ccc(C[N@H+]2CC[C@@H](NCc3ccc(C#N)o3)C2)cc1 ZINC000601160209 350685042 /nfs/dbraw/zinc/68/50/42/350685042.db2.gz UUWWGDXWITWHFG-MRXNPFEDSA-N 1 1 295.386 2.824 20 30 CFEDMO C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1ccc(C#N)cc1F ZINC000601301098 350720178 /nfs/dbraw/zinc/72/01/78/350720178.db2.gz QVQNJEGYCBSAJY-UBJUHAIHSA-N 1 1 290.260 2.660 20 30 CFEDMO CCC(C)(C)OCC[NH2+]Cc1cccc(F)c1C#N ZINC000602020258 350833840 /nfs/dbraw/zinc/83/38/40/350833840.db2.gz OLYWBOQSBLMZIH-UHFFFAOYSA-N 1 1 264.344 2.992 20 30 CFEDMO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000602022812 350835110 /nfs/dbraw/zinc/83/51/10/350835110.db2.gz VPVXQLUZYBQYIR-CZUORRHYSA-N 1 1 271.408 2.987 20 30 CFEDMO N#Cc1cccc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000602031321 350835841 /nfs/dbraw/zinc/83/58/41/350835841.db2.gz RPYKIIKPSRCHLZ-OAHLLOKOSA-N 1 1 269.348 2.514 20 30 CFEDMO N#Cc1cccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000602031321 350835845 /nfs/dbraw/zinc/83/58/45/350835845.db2.gz RPYKIIKPSRCHLZ-OAHLLOKOSA-N 1 1 269.348 2.514 20 30 CFEDMO C[C@H](NC(=O)[C@H]1CC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000602052722 350836852 /nfs/dbraw/zinc/83/68/52/350836852.db2.gz NQPSPRUIKBHHSY-SUMWQHHRSA-N 1 1 297.402 2.752 20 30 CFEDMO N#CCc1cccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000602157503 350847664 /nfs/dbraw/zinc/84/76/64/350847664.db2.gz GGJPXOVHYWEUNC-MRXNPFEDSA-N 1 1 283.375 2.708 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000602164762 350848604 /nfs/dbraw/zinc/84/86/04/350848604.db2.gz CWLGUFVKZNOXOV-BBRMVZONSA-N 1 1 285.391 2.562 20 30 CFEDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602487591 350903350 /nfs/dbraw/zinc/90/33/50/350903350.db2.gz UTQBDROTEXRHCS-SWLSCSKDSA-N 1 1 260.385 2.805 20 30 CFEDMO Cc1cnc(C[NH2+]CCSCc2ccccc2C#N)o1 ZINC000602501254 350906173 /nfs/dbraw/zinc/90/61/73/350906173.db2.gz DSSPGKSPWDHAQB-UHFFFAOYSA-N 1 1 287.388 2.878 20 30 CFEDMO COc1ccc(OC)c([C@H](C)[NH2+]Cc2cccc(C#N)n2)c1 ZINC000602503472 350907130 /nfs/dbraw/zinc/90/71/30/350907130.db2.gz OVIPVTLKBMWFAP-LBPRGKRZSA-N 1 1 297.358 2.821 20 30 CFEDMO CC1CCN(CCC[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602502224 350907188 /nfs/dbraw/zinc/90/71/88/350907188.db2.gz KKKNXOFCUWIWRT-UHFFFAOYSA-N 1 1 263.429 2.780 20 30 CFEDMO C[C@@H](CC1(C#N)CCOCC1)NCC[NH+]1CCCCCC1 ZINC000602513456 350910888 /nfs/dbraw/zinc/91/08/88/350910888.db2.gz YKOPVIPEJQBTEU-INIZCTEOSA-N 1 1 293.455 2.551 20 30 CFEDMO Cc1ccc([C@@H](CNCc2cccc(C#N)n2)[NH+](C)C)cc1 ZINC000602524947 350914144 /nfs/dbraw/zinc/91/41/44/350914144.db2.gz PAPGTSUFKHTVBI-GOSISDBHSA-N 1 1 294.402 2.654 20 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GFQYXHFWCIALSC-LBPRGKRZSA-N 1 1 269.352 2.581 20 30 CFEDMO COC(=O)C[N@@H+](CCc1ccccc1)C[C@@H](C)CCC#N ZINC000602587070 350936481 /nfs/dbraw/zinc/93/64/81/350936481.db2.gz OIYUKVURSQWZHG-HNNXBMFYSA-N 1 1 288.391 2.644 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@@H]2CCCC[C@@H]21 ZINC000602602500 350941690 /nfs/dbraw/zinc/94/16/90/350941690.db2.gz ULZHYQXMMMLJSL-DAXOMENPSA-N 1 1 255.365 2.964 20 30 CFEDMO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](C)CCC#N ZINC000602425264 350877534 /nfs/dbraw/zinc/87/75/34/350877534.db2.gz OGMAQELAWPLWQE-CZUORRHYSA-N 1 1 286.375 2.526 20 30 CFEDMO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1C[C@H](C)CCC#N ZINC000602425264 350877535 /nfs/dbraw/zinc/87/75/35/350877535.db2.gz OGMAQELAWPLWQE-CZUORRHYSA-N 1 1 286.375 2.526 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000602433206 350879965 /nfs/dbraw/zinc/87/99/65/350879965.db2.gz LUWCWXJUGXPCON-KGLIPLIRSA-N 1 1 274.364 2.698 20 30 CFEDMO COc1ccc(C[N@H+](C)Cc2cccc(C#N)n2)cc1OC ZINC000602434021 350880087 /nfs/dbraw/zinc/88/00/87/350880087.db2.gz OLNKGPUSHNMXBQ-UHFFFAOYSA-N 1 1 297.358 2.602 20 30 CFEDMO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)n2)cc1OC ZINC000602434021 350880091 /nfs/dbraw/zinc/88/00/91/350880091.db2.gz OLNKGPUSHNMXBQ-UHFFFAOYSA-N 1 1 297.358 2.602 20 30 CFEDMO CC[N@@H+](CCC#N)C[C@H]1CCN(c2ccccc2)C1 ZINC000602437334 350880979 /nfs/dbraw/zinc/88/09/79/350880979.db2.gz HUWGSBDCSXEWST-OAHLLOKOSA-N 1 1 257.381 2.748 20 30 CFEDMO COc1cc2c(cc1OC)[C@H]([N@H+](C)C[C@@H](C)C#N)CC2 ZINC000602447772 350886971 /nfs/dbraw/zinc/88/69/71/350886971.db2.gz PQZDWDAXMXXULS-SMDDNHRTSA-N 1 1 274.364 2.783 20 30 CFEDMO COc1cc2c(cc1OC)[C@H]([N@@H+](C)C[C@@H](C)C#N)CC2 ZINC000602447772 350886975 /nfs/dbraw/zinc/88/69/75/350886975.db2.gz PQZDWDAXMXXULS-SMDDNHRTSA-N 1 1 274.364 2.783 20 30 CFEDMO N#Cc1ccccc1N1CCC[N@@H+](CCC[C@@H]2CCO2)CC1 ZINC000602447499 350887326 /nfs/dbraw/zinc/88/73/26/350887326.db2.gz IQLPQQRROSGQBV-QGZVFWFLSA-N 1 1 299.418 2.639 20 30 CFEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602453082 350887941 /nfs/dbraw/zinc/88/79/41/350887941.db2.gz LIDOOHRCUZUVCP-OWCLPIDISA-N 1 1 293.455 2.943 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCN(C)c2ccccc2C1 ZINC000602457744 350890238 /nfs/dbraw/zinc/89/02/38/350890238.db2.gz CUPOVJLMRIJWSI-AWEZNQCLSA-N 1 1 257.381 2.878 20 30 CFEDMO CCC(CC)C[N@@H+](CCC#N)Cc1ccc(=O)[nH]c1 ZINC000602465569 350892887 /nfs/dbraw/zinc/89/28/87/350892887.db2.gz PFBDWFDWUXYOBX-UHFFFAOYSA-N 1 1 261.369 2.939 20 30 CFEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(C#N)n2)C1(C)C ZINC000602469968 350893366 /nfs/dbraw/zinc/89/33/66/350893366.db2.gz BONIPRJDSHOMAV-GJZGRUSLSA-N 1 1 273.380 2.589 20 30 CFEDMO CCN1CC[C@H]([N@H+](C)C[C@@H](C)CCC#N)[C@H](C)C1 ZINC000602473355 350896117 /nfs/dbraw/zinc/89/61/17/350896117.db2.gz GBKCQXJJOXUFCA-ZNMIVQPWSA-N 1 1 251.418 2.588 20 30 CFEDMO CCN1CC[C@H]([N@@H+](C)C[C@@H](C)CCC#N)[C@H](C)C1 ZINC000602473355 350896118 /nfs/dbraw/zinc/89/61/18/350896118.db2.gz GBKCQXJJOXUFCA-ZNMIVQPWSA-N 1 1 251.418 2.588 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+](C)CC[C@H]1CCCCN1C ZINC000602473225 350896592 /nfs/dbraw/zinc/89/65/92/350896592.db2.gz DCIZCYNGPKJIRC-LSDHHAIUSA-N 1 1 251.418 2.732 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)CC[C@H]1CCCCN1C ZINC000602473225 350896596 /nfs/dbraw/zinc/89/65/96/350896596.db2.gz DCIZCYNGPKJIRC-LSDHHAIUSA-N 1 1 251.418 2.732 20 30 CFEDMO CCC[N@@H+](Cc1cccc(C#N)n1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000602475792 350897371 /nfs/dbraw/zinc/89/73/71/350897371.db2.gz ZLZDNYFUSUGMKF-BBWFWOEESA-N 1 1 299.418 2.979 20 30 CFEDMO C=CCCC[N@H+](C)Cc1cc(C(=O)OC)cs1 ZINC000602475393 350897382 /nfs/dbraw/zinc/89/73/82/350897382.db2.gz VSNCXCWVYPUIPB-UHFFFAOYSA-N 1 1 253.367 2.933 20 30 CFEDMO CCC[N@@H+](Cc1cccc(C#N)n1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000602475794 350897673 /nfs/dbraw/zinc/89/76/73/350897673.db2.gz ZLZDNYFUSUGMKF-GVDBMIGSSA-N 1 1 299.418 2.979 20 30 CFEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602647369 350960943 /nfs/dbraw/zinc/96/09/43/350960943.db2.gz HLUNTIWKVRAKCS-SKDRFNHKSA-N 1 1 269.270 2.726 20 30 CFEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cccc(C#N)n1 ZINC000602647369 350960946 /nfs/dbraw/zinc/96/09/46/350960946.db2.gz HLUNTIWKVRAKCS-SKDRFNHKSA-N 1 1 269.270 2.726 20 30 CFEDMO Cc1noc([C@@H]2CCCC[N@@H+]2C[C@@H](C)CCC#N)n1 ZINC000602652742 350961947 /nfs/dbraw/zinc/96/19/47/350961947.db2.gz FPSKRYJUXYHGCJ-AAEUAGOBSA-N 1 1 262.357 2.845 20 30 CFEDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(C#N)n1 ZINC000602658070 350963671 /nfs/dbraw/zinc/96/36/71/350963671.db2.gz IJSQIGHZZKCUFC-UHFFFAOYSA-N 1 1 296.330 2.536 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2c2ccncc2)n1 ZINC000602659275 350965010 /nfs/dbraw/zinc/96/50/10/350965010.db2.gz LGTDSTGZMNGAEQ-MRXNPFEDSA-N 1 1 264.332 2.685 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]2c2ccncc2)n1 ZINC000602659275 350965014 /nfs/dbraw/zinc/96/50/14/350965014.db2.gz LGTDSTGZMNGAEQ-MRXNPFEDSA-N 1 1 264.332 2.685 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CC3(CCC3)[C@H]2C2CC2)n1 ZINC000602665413 350967774 /nfs/dbraw/zinc/96/77/74/350967774.db2.gz BDNHWJPGVOCOEX-OAHLLOKOSA-N 1 1 253.349 2.718 20 30 CFEDMO CC(C)[C@]1(CO)CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602677986 350973850 /nfs/dbraw/zinc/97/38/50/350973850.db2.gz YUBZIOSEJPRGCS-LSDHHAIUSA-N 1 1 252.402 2.657 20 30 CFEDMO Cc1ncc([C@@H](C)[NH2+]Cc2cccc(C#N)n2)s1 ZINC000602737576 351008144 /nfs/dbraw/zinc/00/81/44/351008144.db2.gz YLXCWKMCLIGLPY-SECBINFHSA-N 1 1 258.350 2.569 20 30 CFEDMO C=CCC[C@@H]([NH2+][C@@H]1CCC12CCC2)C(=O)OCC ZINC000602683263 350976454 /nfs/dbraw/zinc/97/64/54/350976454.db2.gz VAWGCADWNXSAJX-CHWSQXEVSA-N 1 1 251.370 2.807 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000602692410 350981169 /nfs/dbraw/zinc/98/11/69/350981169.db2.gz NGNJHPFRRRDCKQ-GFCCVEGCSA-N 1 1 267.332 2.852 20 30 CFEDMO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(F)c3ccccc23)C1 ZINC000602696924 350985042 /nfs/dbraw/zinc/98/50/42/350985042.db2.gz MGAVITLGXHVGJL-KRWDZBQOSA-N 1 1 284.334 2.829 20 30 CFEDMO CCC(C)(C)N1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602704705 350988761 /nfs/dbraw/zinc/98/87/61/350988761.db2.gz JQTLFACSXZOAHR-AWEZNQCLSA-N 1 1 251.418 2.732 20 30 CFEDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)C[C@@H](C)CCC#N ZINC000602708055 350991813 /nfs/dbraw/zinc/99/18/13/350991813.db2.gz WMVMRACTFCSWTF-QWHCGFSZSA-N 1 1 268.401 2.978 20 30 CFEDMO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)c1cscn1 ZINC000602708413 350992250 /nfs/dbraw/zinc/99/22/50/350992250.db2.gz FEUBIOBKCDUPKE-NEPJUHHUSA-N 1 1 279.409 2.893 20 30 CFEDMO CC[C@H](C)[C@@H](C[N@H+]1Cc2ccc(C#N)cc2C1)OC ZINC000602712944 350994937 /nfs/dbraw/zinc/99/49/37/350994937.db2.gz WRAIYGDGRYNIMC-BLLLJJGKSA-N 1 1 258.365 2.935 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000602714955 350995954 /nfs/dbraw/zinc/99/59/54/350995954.db2.gz KNEWDUYSDLOUAF-GOEBONIOSA-N 1 1 273.380 2.612 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000602716040 350996811 /nfs/dbraw/zinc/99/68/11/350996811.db2.gz QSQYZCPJZCIULX-ZDUSSCGKSA-N 1 1 274.412 2.744 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000602717097 350998019 /nfs/dbraw/zinc/99/80/19/350998019.db2.gz LMCMBSRUVDNVRU-WDEREUQCSA-N 1 1 264.291 2.579 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](CC(F)(F)F)C1 ZINC000602717097 350998022 /nfs/dbraw/zinc/99/80/22/350998022.db2.gz LMCMBSRUVDNVRU-WDEREUQCSA-N 1 1 264.291 2.579 20 30 CFEDMO CC1(C#N)CC[NH+](Cc2ccnn2CC2CCC2)CC1 ZINC000602607015 350943299 /nfs/dbraw/zinc/94/32/99/350943299.db2.gz QRWGHSSJFUTGNJ-UHFFFAOYSA-N 1 1 272.396 2.809 20 30 CFEDMO C[C@H](c1cccnc1)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602608243 350943480 /nfs/dbraw/zinc/94/34/80/350943480.db2.gz RYJXNGDAIGUULC-GFCCVEGCSA-N 1 1 252.321 2.541 20 30 CFEDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602608243 350943483 /nfs/dbraw/zinc/94/34/83/350943483.db2.gz RYJXNGDAIGUULC-GFCCVEGCSA-N 1 1 252.321 2.541 20 30 CFEDMO COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CCC[C@@H]1C#N)CC2 ZINC000602608660 350944409 /nfs/dbraw/zinc/94/44/09/350944409.db2.gz VKLRSNIMCOEDID-BPLDGKMQSA-N 1 1 286.375 2.973 20 30 CFEDMO C[C@H](CCC#N)C[NH2+]CC1(CN(C)C)CCCC1 ZINC000602618916 350949303 /nfs/dbraw/zinc/94/93/03/350949303.db2.gz TVIFASFUUDOOIR-CQSZACIVSA-N 1 1 251.418 2.638 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000602622821 350949703 /nfs/dbraw/zinc/94/97/03/350949703.db2.gz MLFOHHBNDTYUJR-GUYCJALGSA-N 1 1 283.375 2.522 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+](C)CC1(O)CCCCCC1 ZINC000602623426 350950564 /nfs/dbraw/zinc/95/05/64/350950564.db2.gz GHSSGMYLYJZEKQ-CQSZACIVSA-N 1 1 252.402 2.943 20 30 CFEDMO C=C(C)C[N@@H+](CC)Cc1cnc(C(=O)OCC)s1 ZINC000602759192 351016067 /nfs/dbraw/zinc/01/60/67/351016067.db2.gz KQHVPJVDCRZYFA-UHFFFAOYSA-N 1 1 268.382 2.718 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1cnc(C(=O)OCC)s1 ZINC000602759192 351016069 /nfs/dbraw/zinc/01/60/69/351016069.db2.gz KQHVPJVDCRZYFA-UHFFFAOYSA-N 1 1 268.382 2.718 20 30 CFEDMO 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COCC#CC[N@H+]1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000679834904 542239627 /nfs/dbraw/zinc/23/96/27/542239627.db2.gz WHPQYMFSJMBODG-KGLIPLIRSA-N 1 1 273.376 2.653 20 30 CFEDMO N#CCc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000155941912 378633050 /nfs/dbraw/zinc/63/30/50/378633050.db2.gz FQMKKAADKNEPQE-JKSUJKDBSA-N 1 1 255.365 2.791 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1ccc([S@](C)=O)cc1 ZINC000159011185 378679605 /nfs/dbraw/zinc/67/96/05/378679605.db2.gz GVSRFYYSHKVYOG-QGZVFWFLSA-N 1 1 251.395 2.822 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1ccc([S@@](C)=O)cc1 ZINC000159011339 378679865 /nfs/dbraw/zinc/67/98/65/378679865.db2.gz GVSRFYYSHKVYOG-KRWDZBQOSA-N 1 1 251.395 2.822 20 30 CFEDMO Cc1ccc([C@@H]2C[N@H+](CCCSCC#N)CCO2)o1 ZINC000159159809 378689226 /nfs/dbraw/zinc/68/92/26/378689226.db2.gz GRMHBGVCEJSJOJ-AWEZNQCLSA-N 1 1 280.393 2.608 20 30 CFEDMO Cc1ccc([C@@H]2C[N@@H+](CCCSCC#N)CCO2)o1 ZINC000159159809 378689229 /nfs/dbraw/zinc/68/92/29/378689229.db2.gz GRMHBGVCEJSJOJ-AWEZNQCLSA-N 1 1 280.393 2.608 20 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AVKFOLWSKDCCQT-BBRMVZONSA-N 1 1 283.375 2.546 20 30 CFEDMO Cc1cc(C[NH2+][C@@H](C)c2nnc3n2CCCC3)ccc1C#N ZINC000332067942 378724043 /nfs/dbraw/zinc/72/40/43/378724043.db2.gz UQAAPYFYAFGZMI-ZDUSSCGKSA-N 1 1 295.390 2.645 20 30 CFEDMO CCCCC[N@H+](CCO)Cc1cc(F)ccc1C#N ZINC000160424264 378772523 /nfs/dbraw/zinc/77/25/23/378772523.db2.gz QUGSHZJBSJVEID-UHFFFAOYSA-N 1 1 264.344 2.682 20 30 CFEDMO CCCCC[N@@H+](CCO)Cc1cc(F)ccc1C#N ZINC000160424264 378772530 /nfs/dbraw/zinc/77/25/30/378772530.db2.gz QUGSHZJBSJVEID-UHFFFAOYSA-N 1 1 264.344 2.682 20 30 CFEDMO C[C@H]1C[C@H](N(C)Cc2cc(F)ccc2C#N)CC[N@H+]1C ZINC000160591718 378783835 /nfs/dbraw/zinc/78/38/35/378783835.db2.gz ZADQNEYLVJEBOO-BLLLJJGKSA-N 1 1 275.371 2.612 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(C#N)nc1 ZINC000160246923 378759676 /nfs/dbraw/zinc/75/96/76/378759676.db2.gz VATIJROPSZSELQ-KSSFIOAISA-N 1 1 292.386 2.886 20 30 CFEDMO N#Cc1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)ccc1F ZINC000160851556 378804198 /nfs/dbraw/zinc/80/41/98/378804198.db2.gz WXZVOGYQRZSHOH-ZDUSSCGKSA-N 1 1 274.339 2.698 20 30 CFEDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(F)ccc2C#N)C1 ZINC000160872581 378806268 /nfs/dbraw/zinc/80/62/68/378806268.db2.gz WGRDZNNVAQHKHL-CQSZACIVSA-N 1 1 289.398 2.861 20 30 CFEDMO C[C@@H](CC#N)[N@H+](C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000161739809 378868598 /nfs/dbraw/zinc/86/85/98/378868598.db2.gz UWACARWWTOEVDV-JTQLQIEISA-N 1 1 281.306 2.527 20 30 CFEDMO C[C@@H](CC#N)[N@@H+](C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000161739809 378868603 /nfs/dbraw/zinc/86/86/03/378868603.db2.gz UWACARWWTOEVDV-JTQLQIEISA-N 1 1 281.306 2.527 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCc2ccc(C#N)cc21 ZINC000334195919 378910448 /nfs/dbraw/zinc/91/04/48/378910448.db2.gz MMAVYDYRVHEELI-MRXNPFEDSA-N 1 1 297.402 2.712 20 30 CFEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000334223690 378947322 /nfs/dbraw/zinc/94/73/22/378947322.db2.gz ZYRTWGSFLDJZKS-HNNXBMFYSA-N 1 1 284.338 2.731 20 30 CFEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000334223690 378947325 /nfs/dbraw/zinc/94/73/25/378947325.db2.gz ZYRTWGSFLDJZKS-HNNXBMFYSA-N 1 1 284.338 2.731 20 30 CFEDMO CCCCCCCCC(=O)N1CCC[N@@H+](C)CC1 ZINC000163063366 378952200 /nfs/dbraw/zinc/95/22/00/378952200.db2.gz ZEJVZIPWIUKXMQ-UHFFFAOYSA-N 1 1 254.418 2.901 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(C#N)c(OC)c1 ZINC000289460660 197358494 /nfs/dbraw/zinc/35/84/94/197358494.db2.gz CLGPNXWJXRKBDJ-CQSZACIVSA-N 1 1 289.423 2.777 20 30 CFEDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000289460660 197358495 /nfs/dbraw/zinc/35/84/95/197358495.db2.gz CLGPNXWJXRKBDJ-CQSZACIVSA-N 1 1 289.423 2.777 20 30 CFEDMO C[N@H+](CC#Cc1ccc(Cl)cc1)CCCCCO ZINC000278765769 194145837 /nfs/dbraw/zinc/14/58/37/194145837.db2.gz BXXPLJUTAUTUSX-UHFFFAOYSA-N 1 1 265.784 2.786 20 30 CFEDMO COc1cccc2c1CC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000334372645 379180384 /nfs/dbraw/zinc/18/03/84/379180384.db2.gz RUPICXPFVSBEER-TZMCWYRMSA-N 1 1 256.349 2.746 20 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1 1 256.349 2.702 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451911914 383736554 /nfs/dbraw/zinc/73/65/54/383736554.db2.gz RGCJXUSBEYWDHU-KRWDZBQOSA-N 1 1 286.375 2.569 20 30 CFEDMO C=C(C)CC[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000334538937 379483193 /nfs/dbraw/zinc/48/31/93/379483193.db2.gz PPNLQSMGTJHLKT-HNNXBMFYSA-N 1 1 253.386 2.613 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000172173622 379509863 /nfs/dbraw/zinc/50/98/63/379509863.db2.gz BGFRISSVTHFLTR-UHFFFAOYSA-N 1 1 250.317 2.662 20 30 CFEDMO C=C1CC[NH+](CC(=O)N[C@H](C)c2ccccc2)CC1 ZINC000264435970 383738735 /nfs/dbraw/zinc/73/87/35/383738735.db2.gz DREWNBZIPUDQMM-CQSZACIVSA-N 1 1 258.365 2.516 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1F ZINC000335686539 379720984 /nfs/dbraw/zinc/72/09/84/379720984.db2.gz XTQVDPYFLINHGX-HUUCEWRRSA-N 1 1 288.366 2.946 20 30 CFEDMO N#Cc1ccsc1NC(=O)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000173559057 379752510 /nfs/dbraw/zinc/75/25/10/379752510.db2.gz BGURPMFUPRGORB-YPMHNXCESA-N 1 1 289.404 2.823 20 30 CFEDMO N#Cc1ccsc1NC(=O)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000173559057 379752514 /nfs/dbraw/zinc/75/25/14/379752514.db2.gz BGURPMFUPRGORB-YPMHNXCESA-N 1 1 289.404 2.823 20 30 CFEDMO Cc1cc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)ccc1C#N ZINC000334651861 379711306 /nfs/dbraw/zinc/71/13/06/379711306.db2.gz FWUAKXXGQDLBPM-MRXNPFEDSA-N 1 1 272.392 2.850 20 30 CFEDMO Cc1c[nH+]cn1C1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000335681080 379712328 /nfs/dbraw/zinc/71/23/28/379712328.db2.gz AOWGWILFYDJFTF-UHFFFAOYSA-N 1 1 294.358 2.541 20 30 CFEDMO CO[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000334687625 379767973 /nfs/dbraw/zinc/76/79/73/379767973.db2.gz BZLYOEGRZOGEFI-NHYWBVRUSA-N 1 1 262.328 2.554 20 30 CFEDMO Cc1cc(C#N)ccc1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000335716333 379775085 /nfs/dbraw/zinc/77/50/85/379775085.db2.gz PNUWWYVDKKCINL-GDBMZVCRSA-N 1 1 297.402 2.566 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 ZINC000173966062 379808637 /nfs/dbraw/zinc/80/86/37/379808637.db2.gz YLHSXEJWYQQSFJ-GFCCVEGCSA-N 1 1 292.345 2.685 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000335760525 379845787 /nfs/dbraw/zinc/84/57/87/379845787.db2.gz UYFPUBOOOKTXNG-CQSZACIVSA-N 1 1 264.413 2.676 20 30 CFEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000334740339 379858231 /nfs/dbraw/zinc/85/82/31/379858231.db2.gz VTZJQPHWRLXVAX-NHYWBVRUSA-N 1 1 262.328 2.554 20 30 CFEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000335748148 379826748 /nfs/dbraw/zinc/82/67/48/379826748.db2.gz QMDMAAANTXCJEG-KRWDZBQOSA-N 1 1 268.360 2.826 20 30 CFEDMO C#CCOc1ccc(C[NH2+]Cc2ncc(C)s2)cc1 ZINC000174572922 379911968 /nfs/dbraw/zinc/91/19/68/379911968.db2.gz LPVLUDPPFVFBQN-UHFFFAOYSA-N 1 1 272.373 2.753 20 30 CFEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCC1(C#N)CCCCC1 ZINC000334798086 379924707 /nfs/dbraw/zinc/92/47/07/379924707.db2.gz UMWGLNVNPKVYGG-HUUCEWRRSA-N 1 1 263.429 2.875 20 30 CFEDMO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)[C@H](C)CN1C ZINC000334798086 379924712 /nfs/dbraw/zinc/92/47/12/379924712.db2.gz UMWGLNVNPKVYGG-HUUCEWRRSA-N 1 1 263.429 2.875 20 30 CFEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@H](C)CN1C ZINC000334798086 379924715 /nfs/dbraw/zinc/92/47/15/379924715.db2.gz UMWGLNVNPKVYGG-HUUCEWRRSA-N 1 1 263.429 2.875 20 30 CFEDMO CC#CC[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000174392720 379876194 /nfs/dbraw/zinc/87/61/94/379876194.db2.gz YQUYQGQRFUFDRZ-UHFFFAOYSA-N 1 1 271.408 2.643 20 30 CFEDMO Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc(C#N)c1 ZINC000174441886 379887642 /nfs/dbraw/zinc/88/76/42/379887642.db2.gz IDTWDKRNIXXTQL-UHFFFAOYSA-N 1 1 297.362 2.665 20 30 CFEDMO CC(C)Cn1ccnc1C[NH2+]Cc1cccc(C#N)c1 ZINC000174455645 379889283 /nfs/dbraw/zinc/88/92/83/379889283.db2.gz HZNMYWFEPGTJBV-UHFFFAOYSA-N 1 1 268.364 2.701 20 30 CFEDMO Cn1cc(C[N@H+]2CC[C@H]2c2ccccc2)cc1C#N ZINC000335815771 379935903 /nfs/dbraw/zinc/93/59/03/379935903.db2.gz DQZAVTSAYHWGTJ-INIZCTEOSA-N 1 1 251.333 2.844 20 30 CFEDMO C#Cc1cccc(NC(=O)NCCCCn2cc[nH+]c2C)c1 ZINC000174784415 379939258 /nfs/dbraw/zinc/93/92/58/379939258.db2.gz HOVGCPHSJWHWID-UHFFFAOYSA-N 1 1 296.374 2.775 20 30 CFEDMO C=CCC1(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)CCCCC1 ZINC000334896962 379939957 /nfs/dbraw/zinc/93/99/57/379939957.db2.gz GWLTXPJNMVZAHM-CABCVRRESA-N 1 1 276.424 2.676 20 30 CFEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(C#N)c1)C2 ZINC000175054056 379987552 /nfs/dbraw/zinc/98/75/52/379987552.db2.gz CZWSTCUHJFXWFA-DLBZAZTESA-N 1 1 297.402 2.646 20 30 CFEDMO C=CCCCC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000175379717 380054460 /nfs/dbraw/zinc/05/44/60/380054460.db2.gz MWMWCDCUHTWHMC-UHFFFAOYSA-N 1 1 284.363 2.548 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175380769 380054562 /nfs/dbraw/zinc/05/45/62/380054562.db2.gz XLDISFDQHCPLFM-SJKOYZFVSA-N 1 1 251.395 2.993 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)o1 ZINC000335234336 380055486 /nfs/dbraw/zinc/05/54/86/380055486.db2.gz RTQFXULRTADQEA-MRXNPFEDSA-N 1 1 286.375 2.932 20 30 CFEDMO N#CCc1ccc(C[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000335247040 380076298 /nfs/dbraw/zinc/07/62/98/380076298.db2.gz WYJFIBOHDCEFBB-UHFFFAOYSA-N 1 1 270.376 2.755 20 30 CFEDMO N#C[C@@H]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000335247279 380076431 /nfs/dbraw/zinc/07/64/31/380076431.db2.gz BUSUDWWJEKRUJE-HIFRSBDPSA-N 1 1 261.413 2.675 20 30 CFEDMO CCCNc1ccc(C#N)cc1NC(=O)C[N@@H+](C)C(C)C ZINC000175792112 380131559 /nfs/dbraw/zinc/13/15/59/380131559.db2.gz ASYYKHXVRFCEIG-UHFFFAOYSA-N 1 1 288.395 2.659 20 30 CFEDMO C=C1CC[NH+](CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000264469591 383743552 /nfs/dbraw/zinc/74/35/52/383743552.db2.gz MXKYEMCLCTWJKL-UHFFFAOYSA-N 1 1 284.403 2.830 20 30 CFEDMO CN(Cc1cc(C#N)cs1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000335997116 380214526 /nfs/dbraw/zinc/21/45/26/380214526.db2.gz UOOJDOWDUSJUTB-PBWFPOADSA-N 1 1 275.421 2.677 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCOc3c(F)cccc3C2)C1 ZINC000336353811 380329399 /nfs/dbraw/zinc/32/93/99/380329399.db2.gz GBNCTGQNUHRJSK-DGCLKSJQSA-N 1 1 260.312 2.712 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCOc3c(F)cccc3C2)C1 ZINC000336353811 380329405 /nfs/dbraw/zinc/32/94/05/380329405.db2.gz GBNCTGQNUHRJSK-DGCLKSJQSA-N 1 1 260.312 2.712 20 30 CFEDMO C[NH+](C)Cc1ccc(CNCc2ccc(C#N)s2)cc1 ZINC000176942888 380286789 /nfs/dbraw/zinc/28/67/89/380286789.db2.gz NLDHVNACABZKSF-UHFFFAOYSA-N 1 1 285.416 2.971 20 30 CFEDMO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000176980979 380291140 /nfs/dbraw/zinc/29/11/40/380291140.db2.gz WEKDYLFTBIMZLV-XEZPLFJOSA-N 1 1 286.375 2.750 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C#N)c2)C[C@@H]1C ZINC000336498361 380369309 /nfs/dbraw/zinc/36/93/09/380369309.db2.gz FGCPJDFUCMMUFK-BBRMVZONSA-N 1 1 285.391 2.503 20 30 CFEDMO CC[C@@H]1CCCC[N@@H+]1CCNCc1cc(C#N)cs1 ZINC000177700031 380371117 /nfs/dbraw/zinc/37/11/17/380371117.db2.gz DXJKPSUJJNWCEJ-CQSZACIVSA-N 1 1 277.437 2.974 20 30 CFEDMO CC[C@@H]1CCCC[N@H+]1CCNCc1cc(C#N)cs1 ZINC000177700031 380371124 /nfs/dbraw/zinc/37/11/24/380371124.db2.gz 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C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCC#N)C1 ZINC000360040060 381745232 /nfs/dbraw/zinc/74/52/32/381745232.db2.gz WPQMHWWOJFDWIP-GDBMZVCRSA-N 1 1 285.391 2.632 20 30 CFEDMO Cc1nc(N(C)C[C@@H]2CCC[N@@H+](C)C2)c(Cl)cc1C#N ZINC000360048437 381749692 /nfs/dbraw/zinc/74/96/92/381749692.db2.gz VBALGSOZTGIJBA-GFCCVEGCSA-N 1 1 292.814 2.693 20 30 CFEDMO CC[N@@H+]1C[C@H](C)N(c2nc(C)c(C#N)cc2Cl)C[C@@H]1C ZINC000360048794 381750914 /nfs/dbraw/zinc/75/09/14/381750914.db2.gz YKGYFGSDUYIIMG-QWRGUYRKSA-N 1 1 292.814 2.834 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(c2nc(C)c(C#N)cc2Cl)C[C@@H]1C ZINC000360048794 381750920 /nfs/dbraw/zinc/75/09/20/381750920.db2.gz YKGYFGSDUYIIMG-QWRGUYRKSA-N 1 1 292.814 2.834 20 30 CFEDMO CC#CCCCC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000186008693 381800371 /nfs/dbraw/zinc/80/03/71/381800371.db2.gz KEUKLIKSBUGIEN-MRXNPFEDSA-N 1 1 286.419 2.817 20 30 CFEDMO C#CCC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000186008645 381800579 /nfs/dbraw/zinc/80/05/79/381800579.db2.gz 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C=CC[N@H+]1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000362383383 382038336 /nfs/dbraw/zinc/03/83/36/382038336.db2.gz LDTONWATMPDDCF-ZDUSSCGKSA-N 1 1 292.810 2.601 20 30 CFEDMO C=CCC[C@@H](C(=O)N1CC[NH+](CC)CC1)c1ccccc1 ZINC000351500281 382039980 /nfs/dbraw/zinc/03/99/80/382039980.db2.gz RVCZFKVVFUCAHT-QGZVFWFLSA-N 1 1 286.419 2.901 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000375767799 382102171 /nfs/dbraw/zinc/10/21/71/382102171.db2.gz JEXHBVYUOCAIJN-PBHICJAKSA-N 1 1 291.439 2.840 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000375851208 382107626 /nfs/dbraw/zinc/10/76/26/382107626.db2.gz KXXQSKKSEATBTO-OAHLLOKOSA-N 1 1 292.398 2.665 20 30 CFEDMO CC[N@H+]1CCc2c(cccc2NC(=O)[C@](C)(C#N)CC)C1 ZINC000376057688 382118817 /nfs/dbraw/zinc/11/88/17/382118817.db2.gz NRYMHPFWRZIVIB-KRWDZBQOSA-N 1 1 285.391 2.943 20 30 CFEDMO C#CCN(Cc1ccccc1)C(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000376214209 382125503 /nfs/dbraw/zinc/12/55/03/382125503.db2.gz 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CC(C)C[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346385293 382341797 /nfs/dbraw/zinc/34/17/97/382341797.db2.gz MZYTXXOGDAKGKP-LSDHHAIUSA-N 1 1 291.439 2.695 20 30 CFEDMO COC[C@@H]1CCCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000364265589 382294334 /nfs/dbraw/zinc/29/43/34/382294334.db2.gz AHKKECDKQKDYQO-MRXNPFEDSA-N 1 1 288.391 2.686 20 30 CFEDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000377853110 382359435 /nfs/dbraw/zinc/35/94/35/382359435.db2.gz XEBFGIVLEDFRKP-KRWDZBQOSA-N 1 1 288.391 2.551 20 30 CFEDMO Cn1cc(C[N@H+]2CCC[C@@H]2COc2ccccc2)cc1C#N ZINC000365246371 382363900 /nfs/dbraw/zinc/36/39/00/382363900.db2.gz ZHUNWLNZHTXFET-MRXNPFEDSA-N 1 1 295.386 2.940 20 30 CFEDMO N#Cc1ccc(CN[C@H]2CC[N@@H+](C3CCCC3)C2)s1 ZINC000377995564 382381792 /nfs/dbraw/zinc/38/17/92/382381792.db2.gz GZNFVOVBFPGUGG-LBPRGKRZSA-N 1 1 275.421 2.726 20 30 CFEDMO N#Cc1cccc([C@H]2C[N@H+](CC[C@@H]3CCCO3)CCO2)c1 ZINC000346490976 382384566 /nfs/dbraw/zinc/38/45/66/382384566.db2.gz LBWYPKKWGDRWJK-DLBZAZTESA-N 1 1 286.375 2.501 20 30 CFEDMO N#Cc1cccc([C@H]2C[N@@H+](CC[C@@H]3CCCO3)CCO2)c1 ZINC000346490976 382384571 /nfs/dbraw/zinc/38/45/71/382384571.db2.gz LBWYPKKWGDRWJK-DLBZAZTESA-N 1 1 286.375 2.501 20 30 CFEDMO CCOc1ccccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352464848 382347638 /nfs/dbraw/zinc/34/76/38/382347638.db2.gz YAAKDKOYJHCHPZ-UHFFFAOYSA-N 1 1 262.328 2.913 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000305089519 382422807 /nfs/dbraw/zinc/42/28/07/382422807.db2.gz OZPXSAMPJQRBOX-DOTOQJQBSA-N 1 1 275.392 2.695 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000305089519 382422810 /nfs/dbraw/zinc/42/28/10/382422810.db2.gz OZPXSAMPJQRBOX-DOTOQJQBSA-N 1 1 275.392 2.695 20 30 CFEDMO CS[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000294153641 382436104 /nfs/dbraw/zinc/43/61/04/382436104.db2.gz AHHGOICAVBDRRZ-GFCCVEGCSA-N 1 1 250.342 2.635 20 30 CFEDMO COC[C@]1(C)CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000294156954 382437650 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C#CC[N@@H+](C)CCCNC(=O)c1oc2c(cccc2C)c1C ZINC000294077871 382406897 /nfs/dbraw/zinc/40/68/97/382406897.db2.gz WKSPVGFNEKCVCI-UHFFFAOYSA-N 1 1 298.386 2.735 20 30 CFEDMO C=CC[N@H+](CCOCC(F)(F)C(F)(F)F)C1CC1 ZINC000346550901 382408668 /nfs/dbraw/zinc/40/86/68/382408668.db2.gz UDALHGOSHUNVIM-UHFFFAOYSA-N 1 1 273.245 2.851 20 30 CFEDMO N#Cc1cc(F)ccc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365542372 382410738 /nfs/dbraw/zinc/41/07/38/382410738.db2.gz ZDEQJHXPTBFVIC-NJAFHUGGSA-N 1 1 299.393 2.613 20 30 CFEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cncc(C#N)n2)C1 ZINC000420591462 382414136 /nfs/dbraw/zinc/41/41/36/382414136.db2.gz YKBRLIZBCGLYTP-DZGCQCFKSA-N 1 1 293.374 2.596 20 30 CFEDMO N#Cc1ccc(NC(=O)CC[N@H+]2CC3CCC2CC3)cc1 ZINC000378385245 382452446 /nfs/dbraw/zinc/45/24/46/382452446.db2.gz QHKKIEDYOJGDRY-UHFFFAOYSA-N 1 1 283.375 2.761 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](n3cccn3)C2)cc1 ZINC000365850216 382453997 /nfs/dbraw/zinc/45/39/97/382453997.db2.gz WDPLGYYQMLPHAS-HOCLYGCPSA-N 1 1 296.374 2.621 20 30 CFEDMO C=CC[C@H](CC)NC(=O)N[C@H](C)C[N@H+](C)CCCC ZINC000358119741 382459928 /nfs/dbraw/zinc/45/99/28/382459928.db2.gz JUROLRWWJIUNKL-KGLIPLIRSA-N 1 1 269.433 2.761 20 30 CFEDMO CN(CCC#N)C(=O)CC[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000307785591 382469985 /nfs/dbraw/zinc/46/99/85/382469985.db2.gz YWDLWEPKIGGWOW-AWEZNQCLSA-N 1 1 279.428 2.507 20 30 CFEDMO C[C@H](CNCc1ccc(C#N)cc1C(F)(F)F)[NH+](C)C ZINC000352827691 382477126 /nfs/dbraw/zinc/47/71/26/382477126.db2.gz ZICVWBSUQVPEQT-SNVBAGLBSA-N 1 1 285.313 2.617 20 30 CFEDMO C=C(C)C[N@H+](CCC(=O)OCC)Cc1cnn(C(C)C)c1 ZINC000352903835 382481487 /nfs/dbraw/zinc/48/14/87/382481487.db2.gz SBGHTPNKKWCDJV-UHFFFAOYSA-N 1 1 293.411 2.795 20 30 CFEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000353011275 382487530 /nfs/dbraw/zinc/48/75/30/382487530.db2.gz KJNGSXOWWZQEFP-HZPDHXFCSA-N 1 1 253.349 2.747 20 30 CFEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000353011275 382487539 /nfs/dbraw/zinc/48/75/39/382487539.db2.gz KJNGSXOWWZQEFP-HZPDHXFCSA-N 1 1 253.349 2.747 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000353027432 382488794 /nfs/dbraw/zinc/48/87/94/382488794.db2.gz DRUOMXAUCOAYKS-HOCLYGCPSA-N 1 1 266.429 2.922 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000353027433 382488908 /nfs/dbraw/zinc/48/89/08/382488908.db2.gz DRUOMXAUCOAYKS-ZBFHGGJFSA-N 1 1 266.429 2.922 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H](O)CC12CCC2 ZINC000421000459 382503045 /nfs/dbraw/zinc/50/30/45/382503045.db2.gz VYSZZBLOUUOFQC-ZDUSSCGKSA-N 1 1 250.386 2.696 20 30 CFEDMO CC#CCC[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421003457 382504318 /nfs/dbraw/zinc/50/43/18/382504318.db2.gz FFNAMVWOGKOEPQ-KBPBESRZSA-N 1 1 265.397 2.700 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@]12CCOC2 ZINC000421018636 382506431 /nfs/dbraw/zinc/50/64/31/382506431.db2.gz LFNBWQYIMLADQL-KRWDZBQOSA-N 1 1 270.376 2.853 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421018970 382506720 /nfs/dbraw/zinc/50/67/20/382506720.db2.gz MXNQLQCJPUHVOE-KFWWJZLASA-N 1 1 297.439 2.613 20 30 CFEDMO C=CCOCCC[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421021877 382507020 /nfs/dbraw/zinc/50/70/20/382507020.db2.gz OPSISIYJOOUBIB-HUUCEWRRSA-N 1 1 297.439 2.879 20 30 CFEDMO C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000421021845 382507552 /nfs/dbraw/zinc/50/75/52/382507552.db2.gz OLTPDCJERRJNAT-QPSCCSFWSA-N 1 1 292.423 2.978 20 30 CFEDMO CC(C)C[N@@H+](CC(=O)NC(C)C)Cc1ccc(C#N)cc1 ZINC000346790942 382512189 /nfs/dbraw/zinc/51/21/89/382512189.db2.gz GQOWYQZKCUVYMZ-UHFFFAOYSA-N 1 1 287.407 2.541 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cccc(C3CC3)c2)C1=O ZINC000421378169 382513846 /nfs/dbraw/zinc/51/38/46/382513846.db2.gz GGAONJSSDACXNW-KRWDZBQOSA-N 1 1 284.403 2.783 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)cc1 ZINC000421376838 382513962 /nfs/dbraw/zinc/51/39/62/382513962.db2.gz QTGSGEHSVJJBSE-UKRRQHHQSA-N 1 1 261.365 2.597 20 30 CFEDMO CC[C@H](CC#N)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000358280654 382544533 /nfs/dbraw/zinc/54/45/33/382544533.db2.gz QCDAPZZWILFNBV-SCXUMTSISA-N 1 1 259.309 2.890 20 30 CFEDMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)NC2(C#N)CCC2)c(C)c1 ZINC000346853121 382546067 /nfs/dbraw/zinc/54/60/67/382546067.db2.gz VLVRUPDKAATMJF-OAHLLOKOSA-N 1 1 299.418 2.859 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000366919110 382554202 /nfs/dbraw/zinc/55/42/02/382554202.db2.gz YCSDOTPWZJRZMW-GOSISDBHSA-N 1 1 284.403 2.835 20 30 CFEDMO C=C[C@@H](C)[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000358297851 382554813 /nfs/dbraw/zinc/55/48/13/382554813.db2.gz LIQZWTMPOYXMLL-NEPJUHHUSA-N 1 1 256.353 2.801 20 30 CFEDMO CC(=O)Nc1ccn([C@@H]2CC[N@@H+](Cc3cccnc3C)C2)n1 ZINC000328626282 382555980 /nfs/dbraw/zinc/55/59/80/382555980.db2.gz LMSWVOPCZQGELB-OAHLLOKOSA-N 1 1 299.378 2.641 20 30 CFEDMO C[C@@H]1NC(=O)CC[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000328623837 382556452 /nfs/dbraw/zinc/55/64/52/382556452.db2.gz ZCHHANNJLOSDGK-UBHSHLNASA-N 1 1 293.411 2.857 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@H](SC)C1 ZINC000294966788 382556873 /nfs/dbraw/zinc/55/68/73/382556873.db2.gz FJFAQNUHMSJWQW-AWEZNQCLSA-N 1 1 261.390 2.636 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](SC)C1 ZINC000294966793 382557257 /nfs/dbraw/zinc/55/72/57/382557257.db2.gz FJFAQNUHMSJWQW-CQSZACIVSA-N 1 1 261.390 2.636 20 30 CFEDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(C#N)c(F)c1 ZINC000353538868 382558236 /nfs/dbraw/zinc/55/82/36/382558236.db2.gz JLDQOAREUAWIQI-NSHDSACASA-N 1 1 292.358 2.548 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(OCCOC)c(OC)c1 ZINC000358306005 382559659 /nfs/dbraw/zinc/55/96/59/382559659.db2.gz YWBDHJGWQBGPSO-CQSZACIVSA-N 1 1 292.379 2.502 20 30 CFEDMO C=C[C@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC000358308910 382560445 /nfs/dbraw/zinc/56/04/45/382560445.db2.gz HQWBJCASDXGFMQ-GJZGRUSLSA-N 1 1 279.428 2.611 20 30 CFEDMO CCCCCCCCC(=O)N1CC[NH2+]C[C@H]1C(F)F ZINC000367288516 382563226 /nfs/dbraw/zinc/56/32/26/382563226.db2.gz YAZGSYKAZSKEBO-LBPRGKRZSA-N 1 1 276.371 2.803 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cccc(F)c1C#N ZINC000358330775 382572466 /nfs/dbraw/zinc/57/24/66/382572466.db2.gz FXBZVSSLVVDLOL-GFCCVEGCSA-N 1 1 291.370 2.548 20 30 CFEDMO C=CCn1cccc1C(=O)N[C@H](C)C[N@H+](CC)CCC ZINC000358335849 382573735 /nfs/dbraw/zinc/57/37/35/382573735.db2.gz KALFETQRHQMVQN-CQSZACIVSA-N 1 1 277.412 2.524 20 30 CFEDMO Cc1ccc(C#N)c(NC[C@H](C)[N@H+]2CCCC[C@@H]2C)n1 ZINC000346822801 382530512 /nfs/dbraw/zinc/53/05/12/382530512.db2.gz FHXSEQZZJYGIDI-KBPBESRZSA-N 1 1 272.396 2.937 20 30 CFEDMO Cc1ccncc1C[N@@H+](C)CCOc1ccccc1C#N ZINC000353626088 382584948 /nfs/dbraw/zinc/58/49/48/382584948.db2.gz POEDKXNGJLNKQE-UHFFFAOYSA-N 1 1 281.359 2.773 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000295219249 382589241 /nfs/dbraw/zinc/58/92/41/382589241.db2.gz 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ZINC000662089749 414404097 /nfs/dbraw/zinc/40/40/97/414404097.db2.gz FEYDVAYNHXMAOY-OKILXGFUSA-N 1 1 272.396 2.766 20 30 CFEDMO C=C[C@@H](C)NC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000659260684 414483714 /nfs/dbraw/zinc/48/37/14/414483714.db2.gz OCGPLOZAHWZEBO-PELKAZGASA-N 1 1 287.190 2.945 20 30 CFEDMO C=CCCNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000659336707 414502276 /nfs/dbraw/zinc/50/22/76/414502276.db2.gz BTLXZQHZZFTCBA-LBPRGKRZSA-N 1 1 287.190 2.946 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC1(C)C ZINC000662348034 414517734 /nfs/dbraw/zinc/51/77/34/414517734.db2.gz POFVZYWAYUGIEY-ZIAGYGMSSA-N 1 1 264.413 2.553 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](OC)[C@H]1CCOC1 ZINC000659850846 414586339 /nfs/dbraw/zinc/58/63/39/414586339.db2.gz CJOXZWJHGOYBCK-DOTOQJQBSA-N 1 1 293.382 2.865 20 30 CFEDMO C=CCCC1(CNC(=O)CC(F)(F)C[NH3+])CCCC1 ZINC000662620261 414577507 /nfs/dbraw/zinc/57/75/07/414577507.db2.gz DYUCIKMVHRCEMO-UHFFFAOYSA-N 1 1 274.355 2.613 20 30 CFEDMO C=CCOc1cccc(C[NH+]2CC(C(F)F)C2)c1 ZINC000656690086 414638396 /nfs/dbraw/zinc/63/83/96/414638396.db2.gz AJVYXVAOFJGQIF-UHFFFAOYSA-N 1 1 253.292 2.948 20 30 CFEDMO CC(=O)c1[nH]c(CC[NH2+][C@@H](C)c2cccc(C#N)c2)nc1C ZINC000660192463 414678827 /nfs/dbraw/zinc/67/88/27/414678827.db2.gz SIFMJEWOZSLLSR-NSHDSACASA-N 1 1 296.374 2.686 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)/C=C\c1cccc(C#N)c1 ZINC000044532889 175196238 /nfs/dbraw/zinc/19/62/38/175196238.db2.gz GQYMQLVAEMOARR-WHLNPGIBSA-N 1 1 297.402 2.562 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)C[C@H](O)c1ccc(F)cc1Cl ZINC000286380510 196585557 /nfs/dbraw/zinc/58/55/57/196585557.db2.gz ZAZPVHPPSUWMGF-ZDUSSCGKSA-N 1 1 269.747 2.856 20 30 CFEDMO CCCNC(=O)C1([NH2+]Cc2ccccc2C#N)CCCCC1 ZINC000078655774 177367277 /nfs/dbraw/zinc/36/72/77/177367277.db2.gz QGVIWIRYJUNJDZ-UHFFFAOYSA-N 1 1 299.418 2.877 20 30 CFEDMO C[C@H](NCC(C)(C)[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000037220283 260075373 /nfs/dbraw/zinc/07/53/73/260075373.db2.gz BVBXTEADYAMQFN-ZDUSSCGKSA-N 1 1 275.396 2.580 20 30 CFEDMO C[NH+](C)[C@@H](C(=O)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000344524658 225076611 /nfs/dbraw/zinc/07/66/11/225076611.db2.gz CISWRCADYBXAIU-QGZVFWFLSA-N 1 1 293.370 2.994 20 30 CFEDMO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000352817090 227255247 /nfs/dbraw/zinc/25/52/47/227255247.db2.gz QNAWUISNWBGMMY-MAUKXSAKSA-N 1 1 283.419 2.811 20 30 CFEDMO C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000352817090 227255252 /nfs/dbraw/zinc/25/52/52/227255252.db2.gz QNAWUISNWBGMMY-MAUKXSAKSA-N 1 1 283.419 2.811 20 30 CFEDMO CCn1nc(C)c(NC(=O)C[N@H+](C)[C@@H]2CCSC2)c1C ZINC000329083187 227288812 /nfs/dbraw/zinc/28/88/12/227288812.db2.gz SMCAVZDJELDSQW-GFCCVEGCSA-N 1 1 296.440 2.545 20 30 CFEDMO CCn1nc(C)c(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)c1C ZINC000329083187 227288816 /nfs/dbraw/zinc/28/88/16/227288816.db2.gz SMCAVZDJELDSQW-GFCCVEGCSA-N 1 1 296.440 2.545 20 30 CFEDMO Cc1[nH+]ccn1CCNC(=O)N1CC[C@@H](C)C2(CCC2)C1 ZINC000329103564 227297695 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263.381 2.728 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC000157613318 260851945 /nfs/dbraw/zinc/85/19/45/260851945.db2.gz KEBCJVMCHZYZOY-UHFFFAOYSA-N 1 1 296.773 2.772 20 30 CFEDMO CC(C)CC[N@H+](CCC#N)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156629579 261127791 /nfs/dbraw/zinc/12/77/91/261127791.db2.gz HJQFRCSPPCCWHZ-QGZVFWFLSA-N 1 1 285.391 2.853 20 30 CFEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156629579 261127792 /nfs/dbraw/zinc/12/77/92/261127792.db2.gz HJQFRCSPPCCWHZ-QGZVFWFLSA-N 1 1 285.391 2.853 20 30 CFEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCC1 ZINC000173921962 261173309 /nfs/dbraw/zinc/17/33/09/261173309.db2.gz IMFXNKHNPTYMDT-INIZCTEOSA-N 1 1 275.392 2.639 20 30 CFEDMO C=CC[C@H]1[N@@H+](CCC(=O)N(C)CCC#N)CCCC1(C)C ZINC000444775241 261175224 /nfs/dbraw/zinc/17/52/24/261175224.db2.gz MHCBDZJAUQUNIQ-OAHLLOKOSA-N 1 1 291.439 2.815 20 30 CFEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000490778852 261207435 /nfs/dbraw/zinc/20/74/35/261207435.db2.gz MTFOXLHKUYDSCT-LBPRGKRZSA-N 1 1 278.783 2.931 20 30 CFEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1cc(Cl)ccc1C ZINC000490778852 261207436 /nfs/dbraw/zinc/20/74/36/261207436.db2.gz MTFOXLHKUYDSCT-LBPRGKRZSA-N 1 1 278.783 2.931 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC[C@H](C)CC1 ZINC000249843833 261258758 /nfs/dbraw/zinc/25/87/58/261258758.db2.gz ZLSJQXJUCMHEQT-LSDHHAIUSA-N 1 1 264.413 2.698 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000302751677 261354305 /nfs/dbraw/zinc/35/43/05/261354305.db2.gz LNFLZOBBLGMJRL-ZOBUZTSGSA-N 1 1 291.439 2.695 20 30 CFEDMO N#CCCC[NH+]1CCN(Cc2ccccc2Cl)CC1 ZINC000165925010 261379926 /nfs/dbraw/zinc/37/99/26/261379926.db2.gz NIRORHLUPWTZHZ-UHFFFAOYSA-N 1 1 277.799 2.761 20 30 CFEDMO C[C@@H]1CSCC[N@H+]1Cc1ccc(N(C)CCC#N)cc1 ZINC000179664538 261807244 /nfs/dbraw/zinc/80/72/44/261807244.db2.gz MFEPDJZVMAWHJD-CQSZACIVSA-N 1 1 289.448 2.974 20 30 CFEDMO N#CCC[C@H](C#N)C[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000371637421 262002576 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269.392 2.595 20 30 CFEDMO Cc1cccc(OCC[N@H+](C)[C@H]2CC[C@H](C#N)C2)c1 ZINC000278651216 263049397 /nfs/dbraw/zinc/04/93/97/263049397.db2.gz PVGLUXBKPLWVIQ-GJZGRUSLSA-N 1 1 258.365 2.998 20 30 CFEDMO N#C[C@@H](c1ccccc1)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000278714223 263049794 /nfs/dbraw/zinc/04/97/94/263049794.db2.gz UOWRSDZDXSOVAF-NJAFHUGGSA-N 1 1 294.402 2.561 20 30 CFEDMO CN(C(=O)CC(C)(C)C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279059572 263052558 /nfs/dbraw/zinc/05/25/58/263052558.db2.gz SGLGVIMPDRSJTN-MRXNPFEDSA-N 1 1 299.418 2.659 20 30 CFEDMO CN(C(=O)CC(C)(C)C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000279059568 263052713 /nfs/dbraw/zinc/05/27/13/263052713.db2.gz SGLGVIMPDRSJTN-INIZCTEOSA-N 1 1 299.418 2.659 20 30 CFEDMO N#CCSCCC[N@H+]1CCC=C(Br)C1 ZINC000281536909 263069989 /nfs/dbraw/zinc/06/99/89/263069989.db2.gz ASPYWMMBYBFXCQ-UHFFFAOYSA-N 1 1 275.215 2.618 20 30 CFEDMO N#CCSCCC[N@@H+]1CCC=C(Br)C1 ZINC000281536909 263069990 /nfs/dbraw/zinc/06/99/90/263069990.db2.gz 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263133435 /nfs/dbraw/zinc/13/34/35/263133435.db2.gz PJLBLDPWQBEBJT-UHFFFAOYSA-N 1 1 287.407 2.837 20 30 CFEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)CCOCCC#N)s1 ZINC000292677605 263133614 /nfs/dbraw/zinc/13/36/14/263133614.db2.gz BPAVWNCMWJOPGB-LBPRGKRZSA-N 1 1 281.425 2.937 20 30 CFEDMO COCC(C)(C)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000292880380 263136130 /nfs/dbraw/zinc/13/61/30/263136130.db2.gz XQIUDBQETZAIEE-UHFFFAOYSA-N 1 1 289.423 2.893 20 30 CFEDMO Cc1nc(C)c([C@H](C)[N@@H+](C)CCOCCC#N)s1 ZINC000293026860 263137254 /nfs/dbraw/zinc/13/72/54/263137254.db2.gz IQWNSTSJTVNARI-NSHDSACASA-N 1 1 267.398 2.683 20 30 CFEDMO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCOCCC#N ZINC000293070188 263137701 /nfs/dbraw/zinc/13/77/01/263137701.db2.gz LUIJQAWINGSQAO-DZGCQCFKSA-N 1 1 276.355 2.934 20 30 CFEDMO CN1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H]1Cc1ccccc1 ZINC000293685356 263147078 /nfs/dbraw/zinc/14/70/78/263147078.db2.gz AWRYJGRDBYGCNZ-RCCFBDPRSA-N 1 1 283.419 2.537 20 30 CFEDMO 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276.384 2.887 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000370003145 267283231 /nfs/dbraw/zinc/28/32/31/267283231.db2.gz XOGIUKDLZDENBW-OAHLLOKOSA-N 1 1 291.439 2.793 20 30 CFEDMO C=CCOc1cccc(C[N@@H+]2CCOC[C@H](C)C2)c1 ZINC000370183406 267296979 /nfs/dbraw/zinc/29/69/79/267296979.db2.gz KWQJMILVVCYJMD-CQSZACIVSA-N 1 1 261.365 2.720 20 30 CFEDMO Cc1ccncc1C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000370295255 267308135 /nfs/dbraw/zinc/30/81/35/267308135.db2.gz VNTPGRCCGSTWOB-UHFFFAOYSA-N 1 1 292.386 2.842 20 30 CFEDMO C=C(C)C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000119304205 267320941 /nfs/dbraw/zinc/32/09/41/267320941.db2.gz HFSCXHIEWDEFCK-UHFFFAOYSA-N 1 1 292.810 2.603 20 30 CFEDMO CC[C@@H](C#N)NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000371164601 267357209 /nfs/dbraw/zinc/35/72/09/267357209.db2.gz OXIORPRLSRSLHV-DLBZAZTESA-N 1 1 299.418 2.768 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCC1(C#N)CCC1 ZINC000418135382 267367861 /nfs/dbraw/zinc/36/78/61/267367861.db2.gz AONDFZSUKTXVQD-NVXWUHKLSA-N 1 1 283.419 2.790 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC1(C#N)CCC1 ZINC000418135382 267367865 /nfs/dbraw/zinc/36/78/65/267367865.db2.gz AONDFZSUKTXVQD-NVXWUHKLSA-N 1 1 283.419 2.790 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000371196910 267368766 /nfs/dbraw/zinc/36/87/66/267368766.db2.gz UWRWQHCDRNTCNN-LSDHHAIUSA-N 1 1 292.423 2.874 20 30 CFEDMO C#CCC[NH+]1CCC(c2ncc(C(F)(F)F)[nH]2)CC1 ZINC000371207354 267370781 /nfs/dbraw/zinc/37/07/81/267370781.db2.gz JTFJJHDNSCBJHE-UHFFFAOYSA-N 1 1 271.286 2.631 20 30 CFEDMO N#CC1(C[NH2+]Cc2ccc(-n3cccn3)cc2)CCC1 ZINC000418137652 267371960 /nfs/dbraw/zinc/37/19/60/267371960.db2.gz FCNKVUDLYIFVCJ-UHFFFAOYSA-N 1 1 266.348 2.656 20 30 CFEDMO C=CCOc1cccc(C[N@H+]2CCC[C@H](c3nnc[nH]3)C2)c1 ZINC000371336833 267392705 /nfs/dbraw/zinc/39/27/05/267392705.db2.gz QPXFPENFMDCBKU-HNNXBMFYSA-N 1 1 298.390 2.749 20 30 CFEDMO C[C@@H]1CC[C@@H](C)[NH+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459365025 267741056 /nfs/dbraw/zinc/74/10/56/267741056.db2.gz LUOXEOQNTIIUFS-GHMZBOCLSA-N 1 1 259.309 2.839 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000375419323 267858952 /nfs/dbraw/zinc/85/89/52/267858952.db2.gz GBAMHWSNQQFVAT-ZMSDIMECSA-N 1 1 294.439 2.568 20 30 CFEDMO Cc1cc(C#N)ccc1C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000438905613 267968938 /nfs/dbraw/zinc/96/89/38/267968938.db2.gz ZWKSTBLBAOEYMM-CABCVRRESA-N 1 1 299.418 2.859 20 30 CFEDMO C#CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000376950326 268032678 /nfs/dbraw/zinc/03/26/78/268032678.db2.gz RWYSKISOKQCJPZ-HNNXBMFYSA-N 1 1 290.451 2.949 20 30 CFEDMO C=CCCCCCCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000377045903 268043456 /nfs/dbraw/zinc/04/34/56/268043456.db2.gz KZDZMMMIESWIAM-CVEARBPZSA-N 1 1 293.455 2.859 20 30 CFEDMO C=CCCCCC[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000377165786 268052465 /nfs/dbraw/zinc/05/24/65/268052465.db2.gz RKKOEEYOGFNFNB-CVEARBPZSA-N 1 1 266.429 2.528 20 30 CFEDMO N#Cc1cccc(C(=O)Cn2cc[nH+]c2C2CC2)c1 ZINC000530129033 268271732 /nfs/dbraw/zinc/27/17/32/268271732.db2.gz GFLQGISIDSFVIO-UHFFFAOYSA-N 1 1 251.289 2.515 20 30 CFEDMO CO[C@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1C ZINC000192216125 270229540 /nfs/dbraw/zinc/22/95/40/270229540.db2.gz MYVHHEYXDFPVPZ-NHYWBVRUSA-N 1 1 262.328 2.554 20 30 CFEDMO C[C@H](C[N@@H+](C)Cc1ccc(C#N)cn1)c1nccs1 ZINC000514735195 270352029 /nfs/dbraw/zinc/35/20/29/270352029.db2.gz APVLDDONVKTZNJ-LLVKDONJSA-N 1 1 272.377 2.645 20 30 CFEDMO C[C@@H]1C[N@@H+](C)CCN1c1ccc(C(F)(F)F)c(C#N)c1 ZINC000227537927 274333753 /nfs/dbraw/zinc/33/37/53/274333753.db2.gz HCJDNECKNPUKCC-SNVBAGLBSA-N 1 1 283.297 2.717 20 30 CFEDMO N#Cc1ccc(NC(=O)C23CCC[NH+]2CCC3)c(Cl)c1 ZINC000334862187 274925375 /nfs/dbraw/zinc/92/53/75/274925375.db2.gz QVXIKPWBANXRHZ-UHFFFAOYSA-N 1 1 289.766 2.779 20 30 CFEDMO OC[C@@H]1c2ccccc2CC[N@H+]1CC#Cc1ccccc1 ZINC000192116214 275049275 /nfs/dbraw/zinc/04/92/75/275049275.db2.gz BZMXOVDZKAGFDC-LJQANCHMSA-N 1 1 277.367 2.630 20 30 CFEDMO OC[C@@H]1c2ccccc2CC[N@@H+]1CC#Cc1ccccc1 ZINC000192116214 275049277 /nfs/dbraw/zinc/04/92/77/275049277.db2.gz BZMXOVDZKAGFDC-LJQANCHMSA-N 1 1 277.367 2.630 20 30 CFEDMO CCC[N@@H+](Cc1ccc(OC)c(C#N)c1)CC(C)(C)O ZINC000269726864 276002199 /nfs/dbraw/zinc/00/21/99/276002199.db2.gz WJMRWNBYGMDITA-UHFFFAOYSA-N 1 1 276.380 2.550 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Cl)cn1 ZINC000329177889 276010761 /nfs/dbraw/zinc/01/07/61/276010761.db2.gz MYAOGUBRUSZQSU-LBPRGKRZSA-N 1 1 296.802 2.935 20 30 CFEDMO CC[N@@H+](C)C[C@@H]1CCN(CC#Cc2cccc(Cl)c2)C1 ZINC000154533142 276072730 /nfs/dbraw/zinc/07/27/30/276072730.db2.gz VWOOFUBHTPOMTB-INIZCTEOSA-N 1 1 290.838 2.965 20 30 CFEDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc3cc(C#N)ccc3n2)C1 ZINC000301817486 276073500 /nfs/dbraw/zinc/07/35/00/276073500.db2.gz KCHFBUOBAMJUKO-HNNXBMFYSA-N 1 1 294.402 2.884 20 30 CFEDMO CC[N@@H+](C)C[C@@H]1CCN(c2c(F)cc(C#N)cc2F)C1 ZINC000267294175 276073669 /nfs/dbraw/zinc/07/36/69/276073669.db2.gz YUDOJULLPUCBRE-NSHDSACASA-N 1 1 279.334 2.614 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)c2ncc3c(c2C#N)CCC3)[C@@H](C)C1 ZINC000425241046 276225759 /nfs/dbraw/zinc/22/57/59/276225759.db2.gz ZSSRIDGPSFREAV-GUYCJALGSA-N 1 1 298.434 2.608 20 30 CFEDMO N#CCC[C@H](C#N)C[N@@H+]1CCCc2ccccc2C1 ZINC000171988794 335087681 /nfs/dbraw/zinc/08/76/81/335087681.db2.gz FOOYWQGMFTWLDS-CQSZACIVSA-N 1 1 253.349 2.878 20 30 CFEDMO N#CCC[C@H](C#N)C[N@H+]1CCCc2ccccc2C1 ZINC000171988794 335087682 /nfs/dbraw/zinc/08/76/82/335087682.db2.gz FOOYWQGMFTWLDS-CQSZACIVSA-N 1 1 253.349 2.878 20 30 CFEDMO C[N@H+]1CCCC12CCN(CC#Cc1ccc(F)cc1)CC2 ZINC000335990623 277042011 /nfs/dbraw/zinc/04/20/11/277042011.db2.gz RQETVPPBHCYNKU-UHFFFAOYSA-N 1 1 286.394 2.737 20 30 CFEDMO CC(=O)Nc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000354032480 277073851 /nfs/dbraw/zinc/07/38/51/277073851.db2.gz ASIBJFGUXUZVQA-LBPRGKRZSA-N 1 1 271.364 2.769 20 30 CFEDMO CC(=O)Nc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000354032480 277073853 /nfs/dbraw/zinc/07/38/53/277073853.db2.gz ASIBJFGUXUZVQA-LBPRGKRZSA-N 1 1 271.364 2.769 20 30 CFEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329265246 277074693 /nfs/dbraw/zinc/07/46/93/277074693.db2.gz HAJDWKLPJKSDRE-NTZNESFSSA-N 1 1 281.400 2.571 20 30 CFEDMO C[N@H+]1CC[C@H]2CCN(c3cc(C#N)c4ccccc4n3)[C@@H]2C1 ZINC000364988431 277177988 /nfs/dbraw/zinc/17/79/88/277177988.db2.gz OAODIZIBHYDTQC-SUMWQHHRSA-N 1 1 292.386 2.637 20 30 CFEDMO C[N@@H+]1C[C@H]2CN(c3ccc(C#N)cc3C(F)(F)F)C[C@H]2C1 ZINC000278801369 277199138 /nfs/dbraw/zinc/19/91/38/277199138.db2.gz RFDYXXVLRCUBID-TXEJJXNPSA-N 1 1 295.308 2.575 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000354699972 277295590 /nfs/dbraw/zinc/29/55/90/277295590.db2.gz GUXSQPCTOJCFEE-GOEBONIOSA-N 1 1 262.397 2.960 20 30 CFEDMO COc1nccnc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000418148730 278098128 /nfs/dbraw/zinc/09/81/28/278098128.db2.gz TZDRUDVPNYBXPH-HNNXBMFYSA-N 1 1 294.358 2.524 20 30 CFEDMO CC1(C)CCC[C@](O)(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)C1 ZINC000330217694 278248271 /nfs/dbraw/zinc/24/82/71/278248271.db2.gz ISBPSIAYONWMED-WMLDXEAASA-N 1 1 294.439 2.901 20 30 CFEDMO C[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(C#N)cc1 ZINC000037140958 278254309 /nfs/dbraw/zinc/25/43/09/278254309.db2.gz HGKTXVDKRIQGQD-ZDUSSCGKSA-N 1 1 269.392 2.836 20 30 CFEDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000036996827 278283064 /nfs/dbraw/zinc/28/30/64/278283064.db2.gz VXGBWLLABRCDHX-RRQGHBQHSA-N 1 1 269.392 2.836 20 30 CFEDMO C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1ccc(C#N)cc1 ZINC000036996827 278283066 /nfs/dbraw/zinc/28/30/66/278283066.db2.gz VXGBWLLABRCDHX-RRQGHBQHSA-N 1 1 269.392 2.836 20 30 CFEDMO C[C@@H]([N@@H+](C)CC(=O)Nc1ccc(C#N)cc1)C1(C)CC1 ZINC000177245344 278303220 /nfs/dbraw/zinc/30/32/20/278303220.db2.gz TYRFYVPHVGLGMG-GFCCVEGCSA-N 1 1 271.364 2.617 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374407134 278306222 /nfs/dbraw/zinc/30/62/22/278306222.db2.gz UAAMQCXRCXGQAG-XYPHTWIQSA-N 1 1 270.376 2.978 20 30 CFEDMO C[C@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182817802 278346828 /nfs/dbraw/zinc/34/68/28/278346828.db2.gz ODUWDIHMTVHUHJ-XJKSGUPXSA-N 1 1 283.375 2.538 20 30 CFEDMO C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423343084 278352619 /nfs/dbraw/zinc/35/26/19/278352619.db2.gz NMKIZNVAKPYBOM-CJNGLKHVSA-N 1 1 257.381 2.599 20 30 CFEDMO CC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2ccc(C#N)cc2)C1 ZINC000245453296 279037529 /nfs/dbraw/zinc/03/75/29/279037529.db2.gz RBQDNZIITPXEJC-ZBFHGGJFSA-N 1 1 271.408 2.893 20 30 CFEDMO N#Cc1cccc(N2CCC(c3[nH]cc[nH+]3)CC2)c1[N+](=O)[O-] ZINC000450289697 279533927 /nfs/dbraw/zinc/53/39/27/279533927.db2.gz BWAZVFUTEPUDSN-UHFFFAOYSA-N 1 1 297.318 2.574 20 30 CFEDMO C[C@H](c1cccnc1)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000263699877 279616506 /nfs/dbraw/zinc/61/65/06/279616506.db2.gz LEKWWCWQTXJKDM-OAHLLOKOSA-N 1 1 292.386 2.836 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000181663120 280101165 /nfs/dbraw/zinc/10/11/65/280101165.db2.gz RAZIHKLNFVRIKD-KGLIPLIRSA-N 1 1 259.397 2.939 20 30 CFEDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181663120 280101167 /nfs/dbraw/zinc/10/11/67/280101167.db2.gz RAZIHKLNFVRIKD-KGLIPLIRSA-N 1 1 259.397 2.939 20 30 CFEDMO CC[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000338938179 280201028 /nfs/dbraw/zinc/20/10/28/280201028.db2.gz GZIALNCPSRVCDG-MRXNPFEDSA-N 1 1 260.381 2.787 20 30 CFEDMO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccco1 ZINC000080263222 280538645 /nfs/dbraw/zinc/53/86/45/280538645.db2.gz HLJQAIXONJJBRD-CQSZACIVSA-N 1 1 256.305 2.629 20 30 CFEDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@H](C)CCC#N ZINC000351606325 281206466 /nfs/dbraw/zinc/20/64/66/281206466.db2.gz BTKWHICHTDWJLJ-CQSZACIVSA-N 1 1 273.380 2.866 20 30 CFEDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@H](C)CCC#N ZINC000351606325 281206469 /nfs/dbraw/zinc/20/64/69/281206469.db2.gz BTKWHICHTDWJLJ-CQSZACIVSA-N 1 1 273.380 2.866 20 30 CFEDMO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000538406408 281552340 /nfs/dbraw/zinc/55/23/40/281552340.db2.gz DCSKOVSSASGDQU-SUMWQHHRSA-N 1 1 296.370 2.951 20 30 CFEDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000562495971 290048005 /nfs/dbraw/zinc/04/80/05/290048005.db2.gz AYAYAXSIQBFACF-MRXNPFEDSA-N 1 1 266.348 2.629 20 30 CFEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cn1 ZINC000562495971 290048008 /nfs/dbraw/zinc/04/80/08/290048008.db2.gz AYAYAXSIQBFACF-MRXNPFEDSA-N 1 1 266.348 2.629 20 30 CFEDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](Nc2ncc3c(c2C#N)CCC3)C1 ZINC000563018465 290093759 /nfs/dbraw/zinc/09/37/59/290093759.db2.gz IBLHCTZAVHZDKG-WBMJQRKESA-N 1 1 284.407 2.583 20 30 CFEDMO CCOc1ccc(C#N)cc1NCc1c[nH+]c(C)n1C ZINC000563439861 290151862 /nfs/dbraw/zinc/15/18/62/290151862.db2.gz JBIDLYOVPSENMX-UHFFFAOYSA-N 1 1 270.336 2.611 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000118399458 290219622 /nfs/dbraw/zinc/21/96/22/290219622.db2.gz RBMGMWNXQOLPOM-PBHICJAKSA-N 1 1 297.402 2.706 20 30 CFEDMO Cc1nc(C[NH2+][C@H](C)c2ccc(C#N)cc2)[nH]c1C ZINC000565243142 290288523 /nfs/dbraw/zinc/28/85/23/290288523.db2.gz WBGJGCFTKVOZLP-GFCCVEGCSA-N 1 1 254.337 2.749 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C ZINC001085459805 782058167 /nfs/dbraw/zinc/05/81/67/782058167.db2.gz PUFFSXNRWLSZQJ-CYBMUJFWSA-N 1 1 278.421 2.779 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1sccc1C ZINC001085459805 782058172 /nfs/dbraw/zinc/05/81/72/782058172.db2.gz PUFFSXNRWLSZQJ-CYBMUJFWSA-N 1 1 278.421 2.779 20 30 CFEDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CCCCC(C)(C)C#N ZINC000385909348 336161329 /nfs/dbraw/zinc/16/13/29/336161329.db2.gz QQJPHKDFECMURH-UONOGXRCSA-N 1 1 252.402 2.799 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+](C[C@@H](C)OC)C(C)C ZINC000438063761 295077064 /nfs/dbraw/zinc/07/70/64/295077064.db2.gz DBHSDZKJIASQLM-CYBMUJFWSA-N 1 1 276.380 2.812 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccs1 ZINC001085466727 782068047 /nfs/dbraw/zinc/06/80/47/782068047.db2.gz AFVHJGMNWPIVBB-CYBMUJFWSA-N 1 1 278.421 2.861 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C)n1 ZINC001085489864 782079241 /nfs/dbraw/zinc/07/92/41/782079241.db2.gz KBHAJDIMVAUNLY-OAHLLOKOSA-N 1 1 287.407 2.503 20 30 CFEDMO N#CCCC1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000580321326 327802742 /nfs/dbraw/zinc/80/27/42/327802742.db2.gz CUDYJNKXHYCVHF-UHFFFAOYSA-N 1 1 299.422 2.987 20 30 CFEDMO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ncc(Br)cn1 ZINC000339233209 328002573 /nfs/dbraw/zinc/00/25/73/328002573.db2.gz QKWYKFXKKIPNGU-QXEWZRGKSA-N 1 1 295.184 2.582 20 30 CFEDMO CC#CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000339750812 328053631 /nfs/dbraw/zinc/05/36/31/328053631.db2.gz GMYJYHNGMKEKJN-RDJZCZTQSA-N 1 1 286.419 2.988 20 30 CFEDMO CC#CC[N@H+](C)[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000339750812 328053632 /nfs/dbraw/zinc/05/36/32/328053632.db2.gz GMYJYHNGMKEKJN-RDJZCZTQSA-N 1 1 286.419 2.988 20 30 CFEDMO CC#CC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000339750633 328053640 /nfs/dbraw/zinc/05/36/40/328053640.db2.gz FDPXPILDJYDDMD-GJZGRUSLSA-N 1 1 272.392 2.516 20 30 CFEDMO CC#CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1C ZINC000339750633 328053641 /nfs/dbraw/zinc/05/36/41/328053641.db2.gz FDPXPILDJYDDMD-GJZGRUSLSA-N 1 1 272.392 2.516 20 30 CFEDMO CC(C)N(CCC#N)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000563511936 328070965 /nfs/dbraw/zinc/07/09/65/328070965.db2.gz DJZNCWMTOTYJAO-UHFFFAOYSA-N 1 1 299.418 2.585 20 30 CFEDMO C[N@@H+](CCOCCC#N)Cc1ccc(Br)cc1 ZINC000293370348 328094942 /nfs/dbraw/zinc/09/49/42/328094942.db2.gz FSHFVTFXQRZJCL-UHFFFAOYSA-N 1 1 297.196 2.811 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC000411745056 328098567 /nfs/dbraw/zinc/09/85/67/328098567.db2.gz NSQDPMMYRPAMBN-GFCCVEGCSA-N 1 1 256.349 2.932 20 30 CFEDMO C=CC(C)(C)C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412310013 328108051 /nfs/dbraw/zinc/10/80/51/328108051.db2.gz CXGUYUCMGOLOES-UHFFFAOYSA-N 1 1 264.413 2.533 20 30 CFEDMO C=CCCCCCNC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000571414411 328119883 /nfs/dbraw/zinc/11/98/83/328119883.db2.gz OLMUBNFPCRTOGJ-OAHLLOKOSA-N 1 1 281.444 2.716 20 30 CFEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[N@H+]2CC[C@@H](C)C2)cc1 ZINC000261394120 328137509 /nfs/dbraw/zinc/13/75/09/328137509.db2.gz QXAQQMMMKTXOOT-HZPDHXFCSA-N 1 1 299.418 2.972 20 30 CFEDMO CC[N@H+](CCC#N)CCC(=O)NCc1ccccc1Cl ZINC000266937999 328170673 /nfs/dbraw/zinc/17/06/73/328170673.db2.gz QLCHUEGLPQPSBV-UHFFFAOYSA-N 1 1 293.798 2.582 20 30 CFEDMO CC[N@@H+](CCC#N)CCC(=O)NCc1ccccc1Cl ZINC000266937999 328170674 /nfs/dbraw/zinc/17/06/74/328170674.db2.gz QLCHUEGLPQPSBV-UHFFFAOYSA-N 1 1 293.798 2.582 20 30 CFEDMO C[N@@H+](CCCSCC#N)CCOCc1ccccc1 ZINC000268350565 328184185 /nfs/dbraw/zinc/18/41/85/328184185.db2.gz RIIQAIBEFQGLMS-UHFFFAOYSA-N 1 1 278.421 2.782 20 30 CFEDMO N#CCC[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268351566 328184278 /nfs/dbraw/zinc/18/42/78/328184278.db2.gz DIAGADABLJNFJR-ZIAGYGMSSA-N 1 1 262.353 2.861 20 30 CFEDMO N#CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268351566 328184279 /nfs/dbraw/zinc/18/42/79/328184279.db2.gz DIAGADABLJNFJR-ZIAGYGMSSA-N 1 1 262.353 2.861 20 30 CFEDMO N#CCC[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268351560 328184283 /nfs/dbraw/zinc/18/42/83/328184283.db2.gz DIAGADABLJNFJR-KGLIPLIRSA-N 1 1 262.353 2.861 20 30 CFEDMO N#CCC[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268351560 328184284 /nfs/dbraw/zinc/18/42/84/328184284.db2.gz DIAGADABLJNFJR-KGLIPLIRSA-N 1 1 262.353 2.861 20 30 CFEDMO N#CCC[N@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000268351557 328184344 /nfs/dbraw/zinc/18/43/44/328184344.db2.gz DIAGADABLJNFJR-KBPBESRZSA-N 1 1 262.353 2.861 20 30 CFEDMO N#CCC[N@@H+]1CCCCC[C@H]1C[C@H](O)c1ccco1 ZINC000268351557 328184345 /nfs/dbraw/zinc/18/43/45/328184345.db2.gz DIAGADABLJNFJR-KBPBESRZSA-N 1 1 262.353 2.861 20 30 CFEDMO CC#CC[N@@H+](C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000174950978 329161830 /nfs/dbraw/zinc/16/18/30/329161830.db2.gz WVFRHCCBGKNYQI-KRWDZBQOSA-N 1 1 256.393 2.606 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000278696322 328229782 /nfs/dbraw/zinc/22/97/82/328229782.db2.gz JJWUCBMUXGNKLA-UHFFFAOYSA-N 1 1 273.380 2.865 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000181281445 329229277 /nfs/dbraw/zinc/22/92/77/329229277.db2.gz KRXSZKIIVHTQOK-NSHDSACASA-N 1 1 250.317 2.661 20 30 CFEDMO CO/N=C/C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000289260572 328254440 /nfs/dbraw/zinc/25/44/40/328254440.db2.gz MPHDYKKBFZHTLL-VVBXCHJUSA-N 1 1 289.379 2.632 20 30 CFEDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C#N)C1 ZINC000293603879 328277131 /nfs/dbraw/zinc/27/71/31/328277131.db2.gz PESZQHJNVHIUAZ-TZMCWYRMSA-N 1 1 273.336 2.761 20 30 CFEDMO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C#N)C1 ZINC000294127930 328279358 /nfs/dbraw/zinc/27/93/58/328279358.db2.gz NOTWAXAGVKGSNV-KGLIPLIRSA-N 1 1 273.336 2.761 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cnccc1C ZINC001085529167 782087710 /nfs/dbraw/zinc/08/77/10/782087710.db2.gz QSCBYLBSIZUTRG-OAHLLOKOSA-N 1 1 287.407 2.503 20 30 CFEDMO C[C@@H](CCC#N)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000298348866 328295948 /nfs/dbraw/zinc/29/59/48/328295948.db2.gz BUKLXWCAACVJEC-AWEZNQCLSA-N 1 1 263.385 2.726 20 30 CFEDMO CCCc1ccc(-c2csc(NC(N)=[NH2+])n2)cc1 ZINC000048433679 328308390 /nfs/dbraw/zinc/30/83/90/328308390.db2.gz WHQCWYZPBRKVLO-UHFFFAOYSA-N 1 1 260.366 2.668 20 30 CFEDMO CCc1nn(C)c(OC)c1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000163386625 322375906 /nfs/dbraw/zinc/37/59/06/322375906.db2.gz ZVCYGIAVWTZFRU-LBPRGKRZSA-N 1 1 298.390 2.714 20 30 CFEDMO COc1cc(C[N@H+](C)Cc2ccccc2C#N)ccc1O ZINC000170915689 322395818 /nfs/dbraw/zinc/39/58/18/322395818.db2.gz HWMUEXXUHHMJHK-UHFFFAOYSA-N 1 1 282.343 2.904 20 30 CFEDMO COc1cc(C[N@@H+](C)Cc2ccccc2C#N)ccc1O ZINC000170915689 322395820 /nfs/dbraw/zinc/39/58/20/322395820.db2.gz HWMUEXXUHHMJHK-UHFFFAOYSA-N 1 1 282.343 2.904 20 30 CFEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cc(C)cc(C#N)c1)CC2 ZINC000570168852 322517949 /nfs/dbraw/zinc/51/79/49/322517949.db2.gz OCGUXEFXSWYLJI-AWEZNQCLSA-N 1 1 294.358 2.573 20 30 CFEDMO Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cc(C)cc(C#N)c1)CC2 ZINC000570168853 322517973 /nfs/dbraw/zinc/51/79/73/322517973.db2.gz OCGUXEFXSWYLJI-CQSZACIVSA-N 1 1 294.358 2.573 20 30 CFEDMO C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ncnn1C ZINC000573866517 322672104 /nfs/dbraw/zinc/67/21/04/322672104.db2.gz YBIRGYODFREBMX-WBMJQRKESA-N 1 1 295.390 2.805 20 30 CFEDMO Cc1c(C#N)cccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000178768991 323724514 /nfs/dbraw/zinc/72/45/14/323724514.db2.gz UTMZHVLWBXJWKQ-UHFFFAOYSA-N 1 1 271.364 2.537 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCN(c2nccs2)CC1 ZINC000186840145 323987062 /nfs/dbraw/zinc/98/70/62/323987062.db2.gz XIRRXLQJGRYCBN-ZDUSSCGKSA-N 1 1 298.415 2.898 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[NH+]1CCN(c2nccs2)CC1 ZINC000186840164 323987410 /nfs/dbraw/zinc/98/74/10/323987410.db2.gz XIRRXLQJGRYCBN-CYBMUJFWSA-N 1 1 298.415 2.898 20 30 CFEDMO CC1(CO)CC[NH+](Cc2ccc(Cl)cc2C#N)CC1 ZINC000187551511 323997476 /nfs/dbraw/zinc/99/74/76/323997476.db2.gz JJDDZZILKVOSCN-UHFFFAOYSA-N 1 1 278.783 2.806 20 30 CFEDMO N#Cc1cnn2cc(C[N@@H+](CC3CC3)CC3CCC3)cnc12 ZINC000581430023 325120916 /nfs/dbraw/zinc/12/09/16/325120916.db2.gz ZZAMXVGMLVFNBC-UHFFFAOYSA-N 1 1 295.390 2.613 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000584026318 325325145 /nfs/dbraw/zinc/32/51/45/325325145.db2.gz DJJIJCSAAFSRPG-LBPRGKRZSA-N 1 1 290.367 2.999 20 30 CFEDMO N#Cc1csc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)n1 ZINC000584142228 325333129 /nfs/dbraw/zinc/33/31/29/325333129.db2.gz NDEAALHPNGRMKT-BBRMVZONSA-N 1 1 299.399 2.882 20 30 CFEDMO C=CCC1(NC(=O)C[NH+]2CC(C)(C)C2)CCCCC1 ZINC000580345786 328549246 /nfs/dbraw/zinc/54/92/46/328549246.db2.gz SLTBLSILDGIAIR-UHFFFAOYSA-N 1 1 264.413 2.723 20 30 CFEDMO COc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)cc1Cl ZINC000576086437 327015506 /nfs/dbraw/zinc/01/55/06/327015506.db2.gz AQQMXZXTGJVJPS-GFCCVEGCSA-N 1 1 277.755 2.882 20 30 CFEDMO C=C(C)C[N@H+]1C[C@@H](C(=O)NCCCC)CC[C@@H]1C ZINC000069173410 327032949 /nfs/dbraw/zinc/03/29/49/327032949.db2.gz RYEWZKSKQMVQNN-KBPBESRZSA-N 1 1 252.402 2.579 20 30 CFEDMO C=C(C)COCCNc1[nH+]ccc2cc(F)ccc21 ZINC000584169408 327055746 /nfs/dbraw/zinc/05/57/46/327055746.db2.gz VMGDKFCADJLNMK-UHFFFAOYSA-N 1 1 260.312 2.800 20 30 CFEDMO CC[C@H]1CN(C)CC[N@H+]1CCCCC(C)(C)C#N ZINC000577099194 327078281 /nfs/dbraw/zinc/07/82/81/327078281.db2.gz ACBORPDSQYKODU-AWEZNQCLSA-N 1 1 251.418 2.732 20 30 CFEDMO CC[C@H]1C[N@@H+](C)CCN1CCCCC(C)(C)C#N ZINC000577099194 327078284 /nfs/dbraw/zinc/07/82/84/327078284.db2.gz ACBORPDSQYKODU-AWEZNQCLSA-N 1 1 251.418 2.732 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](C)[C@H]2CCCC[C@H]21 ZINC000558518240 327101345 /nfs/dbraw/zinc/10/13/45/327101345.db2.gz DBZAWGYCZAOASC-ARFHVFGLSA-N 1 1 291.439 2.649 20 30 CFEDMO C=CCOCC[N@@H+]1CCC[C@H]1Cc1cccc(OC)c1 ZINC000559049111 327139262 /nfs/dbraw/zinc/13/92/62/327139262.db2.gz BMFWTFSBAFNEQT-INIZCTEOSA-N 1 1 275.392 2.905 20 30 CFEDMO C=CCOCC[N@@H+]1CCC[C@@H]1Cc1cccc(OC)c1 ZINC000559049112 327139360 /nfs/dbraw/zinc/13/93/60/327139360.db2.gz BMFWTFSBAFNEQT-MRXNPFEDSA-N 1 1 275.392 2.905 20 30 CFEDMO CC(C)(CC#N)CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572616175 327184826 /nfs/dbraw/zinc/18/48/26/327184826.db2.gz QHPGMOXOQIBNIM-INIZCTEOSA-N 1 1 299.418 2.565 20 30 CFEDMO CCCOc1cc(C[NH2+]CC2(C#N)CC2)ccc1OC ZINC000555709722 327249332 /nfs/dbraw/zinc/24/93/32/327249332.db2.gz JSVWTBVATYFBAL-UHFFFAOYSA-N 1 1 274.364 2.877 20 30 CFEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH+](C)C ZINC000109022597 327257631 /nfs/dbraw/zinc/25/76/31/327257631.db2.gz CDGBVQUDJPRELG-LLVKDONJSA-N 1 1 277.393 2.581 20 30 CFEDMO C=CCCCC[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000560216645 327290823 /nfs/dbraw/zinc/29/08/23/327290823.db2.gz ANWWIENRRPVJMJ-CQSZACIVSA-N 1 1 260.381 2.891 20 30 CFEDMO C=CCC[NH+]1CCN(c2ccnc3ccccc32)CC1 ZINC000358664731 328890346 /nfs/dbraw/zinc/89/03/46/328890346.db2.gz 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/nfs/dbraw/zinc/05/73/80/329057380.db2.gz QVRBDADAFPSJKB-INIZCTEOSA-N 1 1 273.376 2.700 20 30 CFEDMO CC(C)(C#N)C[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000168935955 329062479 /nfs/dbraw/zinc/06/24/79/329062479.db2.gz YUIXTBLFTAFJBS-UHFFFAOYSA-N 1 1 260.366 2.778 20 30 CFEDMO CC(C)C[N@H+]1CCCN(CC(C)(C)CCC#N)CC1 ZINC000360077939 329071419 /nfs/dbraw/zinc/07/14/19/329071419.db2.gz UTGUSVLXHKCXRZ-UHFFFAOYSA-N 1 1 265.445 2.980 20 30 CFEDMO CC(C)CN1CCC[N@H+](CC(C)(C)CCC#N)CC1 ZINC000360077939 329071420 /nfs/dbraw/zinc/07/14/20/329071420.db2.gz UTGUSVLXHKCXRZ-UHFFFAOYSA-N 1 1 265.445 2.980 20 30 CFEDMO CC(C)CN1CCC[N@@H+](CC(C)(C)CCC#N)CC1 ZINC000360077939 329071422 /nfs/dbraw/zinc/07/14/22/329071422.db2.gz UTGUSVLXHKCXRZ-UHFFFAOYSA-N 1 1 265.445 2.980 20 30 CFEDMO C=CCCCCCNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000582555717 329111214 /nfs/dbraw/zinc/11/12/14/329111214.db2.gz PYFVVQQROHUYBD-CQSZACIVSA-N 1 1 293.411 2.928 20 30 CFEDMO C=CCCCCCNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000582555710 329111317 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618360773 /nfs/dbraw/zinc/36/07/73/618360773.db2.gz JEQKYENZHPPTTD-UHFFFAOYSA-N 1 1 270.376 2.954 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001024573260 618387965 /nfs/dbraw/zinc/38/79/65/618387965.db2.gz YXZNINDKDKRWJG-YVSFHVDLSA-N 1 1 290.451 2.969 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000177285661 618391966 /nfs/dbraw/zinc/39/19/66/618391966.db2.gz YUAICGWIFRYQKM-NSHDSACASA-N 1 1 253.308 2.956 20 30 CFEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC2CC2)cc1 ZINC001024591473 618401313 /nfs/dbraw/zinc/40/13/13/618401313.db2.gz DWDRCGOBQNQEJB-GOSISDBHSA-N 1 1 296.414 2.662 20 30 CFEDMO C=CCC(CC=C)C(=O)OC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000151528941 618403731 /nfs/dbraw/zinc/40/37/31/618403731.db2.gz FXFFVCWQLYLZKE-INIZCTEOSA-N 1 1 295.423 2.655 20 30 CFEDMO CCCCCCCC[N@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000142042276 618404765 /nfs/dbraw/zinc/40/47/65/618404765.db2.gz KIFFTYXPMGMVQH-CQSZACIVSA-N 1 1 254.418 2.805 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001024633068 618426790 /nfs/dbraw/zinc/42/67/90/618426790.db2.gz FBXLQOOTAFJNJI-HUUCEWRRSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1occc1Cl ZINC001024635695 618428741 /nfs/dbraw/zinc/42/87/41/618428741.db2.gz IENQQTXFCFHIBE-NSHDSACASA-N 1 1 282.771 2.703 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1occc1Cl ZINC001024635694 618429026 /nfs/dbraw/zinc/42/90/26/618429026.db2.gz IENQQTXFCFHIBE-LLVKDONJSA-N 1 1 282.771 2.703 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2[nH]ccc21 ZINC001024671454 618437038 /nfs/dbraw/zinc/43/70/38/618437038.db2.gz DOYAGALRKYYDMW-CQSZACIVSA-N 1 1 297.402 2.938 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)[nH]c1C ZINC001024681013 618442213 /nfs/dbraw/zinc/44/22/13/618442213.db2.gz GBELXIFNSPMSEM-HNNXBMFYSA-N 1 1 289.423 2.792 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001024696359 618446913 /nfs/dbraw/zinc/44/69/13/618446913.db2.gz HSWANZSHJVBWHW-KSZLIROESA-N 1 1 298.430 2.947 20 30 CFEDMO C=C(Cl)C[NH2+]Cc1[nH]cc(C(=O)OC)c1C1CC1 ZINC000893350754 618449075 /nfs/dbraw/zinc/44/90/75/618449075.db2.gz KRNQYQSVOGPLLJ-UHFFFAOYSA-N 1 1 268.744 2.521 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001024710595 618450509 /nfs/dbraw/zinc/45/05/09/618450509.db2.gz XDFRYGXQHIEFLT-OAHLLOKOSA-N 1 1 290.432 2.664 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001024708689 618450594 /nfs/dbraw/zinc/45/05/94/618450594.db2.gz YVJOOCGVOVPXJO-YESZJQIVSA-N 1 1 290.451 2.969 20 30 CFEDMO CCCCC(N)=[NH+]OCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000177566425 618452820 /nfs/dbraw/zinc/45/28/20/618452820.db2.gz DDEGFXNKFHUFNX-ZIAGYGMSSA-N 1 1 295.427 2.647 20 30 CFEDMO N#Cc1csc(C[N@H+]2CC[C@@H]3CSC[C@H]3C2)c1 ZINC000877738394 618460468 /nfs/dbraw/zinc/46/04/68/618460468.db2.gz KUQFPBDBEYXDAI-VXGBXAGGSA-N 1 1 264.419 2.805 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1sccc1OC ZINC001024770957 618465617 /nfs/dbraw/zinc/46/56/17/618465617.db2.gz AITWCLRBOWKWJH-GFCCVEGCSA-N 1 1 294.420 2.527 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sccc1OC ZINC001024770957 618465620 /nfs/dbraw/zinc/46/56/20/618465620.db2.gz AITWCLRBOWKWJH-GFCCVEGCSA-N 1 1 294.420 2.527 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001024771747 618466151 /nfs/dbraw/zinc/46/61/51/618466151.db2.gz LQJLLVUNPGGZAK-BRWVUGGUSA-N 1 1 290.451 2.807 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(F)cccc1F ZINC001024777759 618468668 /nfs/dbraw/zinc/46/86/68/618468668.db2.gz NVBXDGHLPJPQFH-LBPRGKRZSA-N 1 1 294.345 2.735 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)cc(C)c1 ZINC001024777299 618468983 /nfs/dbraw/zinc/46/89/83/618468983.db2.gz JJKISWLGCVEDDZ-KRWDZBQOSA-N 1 1 284.403 2.521 20 30 CFEDMO CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001024786725 618469674 /nfs/dbraw/zinc/46/96/74/618469674.db2.gz PAFXMPQKQSFXGE-GOSISDBHSA-N 1 1 298.430 2.857 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001024809672 618474993 /nfs/dbraw/zinc/47/49/93/618474993.db2.gz VGPBAGJJYTVGER-SFHVURJKSA-N 1 1 296.414 2.782 20 30 CFEDMO COCC1(C2CCC2)C[NH+](CC#Cc2ccccc2)C1 ZINC000895347446 618541721 /nfs/dbraw/zinc/54/17/21/618541721.db2.gz XUJNQDSKPVITOM-UHFFFAOYSA-N 1 1 269.388 2.787 20 30 CFEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000895390200 618563168 /nfs/dbraw/zinc/56/31/68/618563168.db2.gz STCADKVQTCFXKX-NSHDSACASA-N 1 1 257.337 2.667 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000895391369 618563881 /nfs/dbraw/zinc/56/38/81/618563881.db2.gz YEZAIQOCNZQLDI-AWEZNQCLSA-N 1 1 254.377 2.890 20 30 CFEDMO Cn1cc(C[NH2+]CC2(C#N)CCCCC2)c(C2CC2)n1 ZINC000895404556 618575670 /nfs/dbraw/zinc/57/56/70/618575670.db2.gz SDLAHKMDKRIELR-UHFFFAOYSA-N 1 1 272.396 2.861 20 30 CFEDMO COCCCC1(C[N@H+]2CC[C@@](C)(C#N)C2)CCC1 ZINC000895451279 618593689 /nfs/dbraw/zinc/59/36/89/618593689.db2.gz VEQYYMWKAKHXTP-AWEZNQCLSA-N 1 1 250.386 2.819 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c1 ZINC000310693352 618606682 /nfs/dbraw/zinc/60/66/82/618606682.db2.gz YLMISGSTLXHRCZ-GFCCVEGCSA-N 1 1 254.255 2.942 20 30 CFEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[C@@H]1C ZINC001017577207 618665819 /nfs/dbraw/zinc/66/58/19/618665819.db2.gz HCACFCJAQAJQAO-VVLHAWIVSA-N 1 1 288.435 2.511 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(C)C ZINC001018123392 618685939 /nfs/dbraw/zinc/68/59/39/618685939.db2.gz MHRCTNFURZPVJD-XUWVNRHRSA-N 1 1 276.424 2.530 20 30 CFEDMO N#CC1(CN[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCCC1 ZINC000926874283 618778130 /nfs/dbraw/zinc/77/81/30/618778130.db2.gz NJDVLDKFXJZRLS-GJZGRUSLSA-N 1 1 261.413 2.677 20 30 CFEDMO N#CC1(CN[C@H]2CCC[N@H+]3CCCC[C@@H]23)CCCC1 ZINC000926874283 618778131 /nfs/dbraw/zinc/77/81/31/618778131.db2.gz NJDVLDKFXJZRLS-GJZGRUSLSA-N 1 1 261.413 2.677 20 30 CFEDMO Cn1cc[nH+]c1[C@H]1CCN(c2ccc(C#N)cc2Cl)C1 ZINC000892984363 618791181 /nfs/dbraw/zinc/79/11/81/618791181.db2.gz BPKJTMCLDDPQFK-LBPRGKRZSA-N 1 1 286.766 2.939 20 30 CFEDMO COc1ccc(C[N@@H+](C[C@H](O)CC#N)C(C)(C)C)cc1 ZINC000930506689 618852108 /nfs/dbraw/zinc/85/21/08/618852108.db2.gz RXLRCTCBUGCGMU-CQSZACIVSA-N 1 1 276.380 2.570 20 30 CFEDMO C[C@@H](O)CN(C)[NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000841651558 618856044 /nfs/dbraw/zinc/85/60/44/618856044.db2.gz PHQILBOAGCLWLH-GFCCVEGCSA-N 1 1 295.814 2.587 20 30 CFEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@H](C)[N@H+]1C[C@H](O)CC#N ZINC000930599649 618883617 /nfs/dbraw/zinc/88/36/17/618883617.db2.gz AAFNKMNCLHZADC-OCVGTWLNSA-N 1 1 258.365 2.527 20 30 CFEDMO N#CC1CCC(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000930623235 618897554 /nfs/dbraw/zinc/89/75/54/618897554.db2.gz OWRQFCMBVMPXNE-ZKLCHKPXSA-N 1 1 276.424 2.942 20 30 CFEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000312255602 618914518 /nfs/dbraw/zinc/91/45/18/618914518.db2.gz DCUGMJVMDPPBPX-GFCCVEGCSA-N 1 1 284.281 2.821 20 30 CFEDMO C#CCC[NH+]1CCN([C@H](C)c2ccccc2C)CC1 ZINC000776593779 618932851 /nfs/dbraw/zinc/93/28/51/618932851.db2.gz ZPUNAPCAUZZGPB-MRXNPFEDSA-N 1 1 256.393 2.697 20 30 CFEDMO C[C@H](C#N)OCC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000856822346 618934974 /nfs/dbraw/zinc/93/49/74/618934974.db2.gz JTDHWCFRPTUHEU-PWSUYJOCSA-N 1 1 260.328 2.719 20 30 CFEDMO CCc1ccc(NC(=[NH2+])NC[C@@H](CC(C)C)N(C)C)cc1 ZINC000104160393 618938153 /nfs/dbraw/zinc/93/81/53/618938153.db2.gz QEYDJORDWWLIJF-MRXNPFEDSA-N 1 1 290.455 2.952 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931314036 618940633 /nfs/dbraw/zinc/94/06/33/618940633.db2.gz ITDZQWFZKONITO-JCGIZDLHSA-N 1 1 283.419 2.893 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931314036 618940634 /nfs/dbraw/zinc/94/06/34/618940634.db2.gz ITDZQWFZKONITO-JCGIZDLHSA-N 1 1 283.419 2.893 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931314036 618940636 /nfs/dbraw/zinc/94/06/36/618940636.db2.gz ITDZQWFZKONITO-JCGIZDLHSA-N 1 1 283.419 2.893 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(C)C)no2)C1 ZINC001008749151 618967248 /nfs/dbraw/zinc/96/72/48/618967248.db2.gz QXLPSPWIDXCICV-CYBMUJFWSA-N 1 1 291.395 2.568 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001009326825 618989090 /nfs/dbraw/zinc/98/90/90/618989090.db2.gz KQMUVELISWSBMK-KRWDZBQOSA-N 1 1 284.403 2.521 20 30 CFEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001009326825 618989091 /nfs/dbraw/zinc/98/90/91/618989091.db2.gz KQMUVELISWSBMK-KRWDZBQOSA-N 1 1 284.403 2.521 20 30 CFEDMO C[C@]1(Br)C[C@H]1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000893524121 619035669 /nfs/dbraw/zinc/03/56/69/619035669.db2.gz JOLBYMFYMAHXMV-TUAOUCFPSA-N 1 1 271.202 2.786 20 30 CFEDMO C[C@]1(Br)C[C@H]1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000893524121 619035670 /nfs/dbraw/zinc/03/56/70/619035670.db2.gz JOLBYMFYMAHXMV-TUAOUCFPSA-N 1 1 271.202 2.786 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000931620101 619062055 /nfs/dbraw/zinc/06/20/55/619062055.db2.gz DCZFDYIFIIFILO-QZTJIDSGSA-N 1 1 283.419 2.844 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000931620101 619062057 /nfs/dbraw/zinc/06/20/57/619062057.db2.gz DCZFDYIFIIFILO-QZTJIDSGSA-N 1 1 283.419 2.844 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000931620101 619062061 /nfs/dbraw/zinc/06/20/61/619062061.db2.gz DCZFDYIFIIFILO-QZTJIDSGSA-N 1 1 283.419 2.844 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)Nc1ccc(C#N)cc1 ZINC000314675280 619089912 /nfs/dbraw/zinc/08/99/12/619089912.db2.gz PJRAXWBGKXPBIK-UHFFFAOYSA-N 1 1 298.390 2.759 20 30 CFEDMO C[C@H](/N=C/c1cc(Cl)ccc1O)[C@H](C)[NH+]1CCOCC1 ZINC000105356538 619090392 /nfs/dbraw/zinc/09/03/92/619090392.db2.gz BCFVARSEJWVUCK-OMZBXQEKSA-N 1 1 296.798 2.574 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931720655 619103994 /nfs/dbraw/zinc/10/39/94/619103994.db2.gz VOXFOKCCYHKTKT-XYPHTWIQSA-N 1 1 269.392 2.788 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931720655 619103996 /nfs/dbraw/zinc/10/39/96/619103996.db2.gz VOXFOKCCYHKTKT-XYPHTWIQSA-N 1 1 269.392 2.788 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931720655 619103998 /nfs/dbraw/zinc/10/39/98/619103998.db2.gz VOXFOKCCYHKTKT-XYPHTWIQSA-N 1 1 269.392 2.788 20 30 CFEDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1sccc1C#N ZINC000931835907 619125583 /nfs/dbraw/zinc/12/55/83/619125583.db2.gz OIFQZGKBNXCKBL-LBPRGKRZSA-N 1 1 292.408 2.568 20 30 CFEDMO C=C(C)[C@@H]1OCC[C@H]1CNc1[nH+]cnc2[nH]cc(CC)c21 ZINC000893659773 619148332 /nfs/dbraw/zinc/14/83/32/619148332.db2.gz JDOSSYVDFKLUMN-JSGCOSHPSA-N 1 1 286.379 2.913 20 30 CFEDMO C=C(C)[C@@H]1OCC[C@@H]1CNc1[nH+]cnc2[nH]cc(CC)c21 ZINC000893659774 619148351 /nfs/dbraw/zinc/14/83/51/619148351.db2.gz JDOSSYVDFKLUMN-OCCSQVGLSA-N 1 1 286.379 2.913 20 30 CFEDMO C=CCn1c(C)nn(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1=S ZINC000841692563 619160805 /nfs/dbraw/zinc/16/08/05/619160805.db2.gz RTOGSXLLRBIYIB-QJPTWQEYSA-N 1 1 280.441 2.842 20 30 CFEDMO C=CCn1c(C)nn(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1=S ZINC000841692563 619160806 /nfs/dbraw/zinc/16/08/06/619160806.db2.gz RTOGSXLLRBIYIB-QJPTWQEYSA-N 1 1 280.441 2.842 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932202000 619206826 /nfs/dbraw/zinc/20/68/26/619206826.db2.gz RZGACXGAIOCVKR-KGLIPLIRSA-N 1 1 280.437 2.725 20 30 CFEDMO C=C1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000893875631 619233516 /nfs/dbraw/zinc/23/35/16/619233516.db2.gz UWDXUMBGTDZUOH-DLBZAZTESA-N 1 1 299.418 2.793 20 30 CFEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1csc(C#N)c1 ZINC000893911852 619242210 /nfs/dbraw/zinc/24/22/10/619242210.db2.gz DXROOYDSJQGPNN-UHIISALHSA-N 1 1 264.394 2.601 20 30 CFEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1csc(C#N)c1 ZINC000893911849 619242437 /nfs/dbraw/zinc/24/24/37/619242437.db2.gz DXROOYDSJQGPNN-JTNHKYCSSA-N 1 1 264.394 2.601 20 30 CFEDMO C#CC[N@H+](CCCC(=O)OCC)C1CCCCC1 ZINC000726597471 619253044 /nfs/dbraw/zinc/25/30/44/619253044.db2.gz QEXLOOKFFNXNAD-UHFFFAOYSA-N 1 1 251.370 2.598 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)CCO)c1ccc(Cl)cc1F ZINC000894405327 619370724 /nfs/dbraw/zinc/37/07/24/619370724.db2.gz FGZCGIKZOUWECL-ZANVPECISA-N 1 1 255.720 2.514 20 30 CFEDMO Cc1cc(C#N)nc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000894435683 619384836 /nfs/dbraw/zinc/38/48/36/619384836.db2.gz FMJCVTBMODOONG-HUUCEWRRSA-N 1 1 270.380 2.691 20 30 CFEDMO C=CC[N@H+](C)Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC000894495775 619402647 /nfs/dbraw/zinc/40/26/47/619402647.db2.gz QNSXMTZYIQIXCK-UHFFFAOYSA-N 1 1 250.342 2.543 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1ccccc1OCC(F)F ZINC000894547952 619417351 /nfs/dbraw/zinc/41/73/51/619417351.db2.gz KNMGWFNLAUUPFO-UHFFFAOYSA-N 1 1 285.334 2.965 20 30 CFEDMO Cc1cc(C#N)nc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000894654893 619437145 /nfs/dbraw/zinc/43/71/45/619437145.db2.gz FWPUOEUUGZTDQJ-OAHLLOKOSA-N 1 1 284.407 2.796 20 30 CFEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@H](OCC)C1)C(=O)OCC ZINC000894758464 619458621 /nfs/dbraw/zinc/45/86/21/619458621.db2.gz ISQZTMYGJPOVJE-KKUMJFAQSA-N 1 1 283.412 2.822 20 30 CFEDMO CCCCC(N)=[NH+]OCC(=O)Nc1ccc(C)c(F)c1 ZINC000049066197 619509730 /nfs/dbraw/zinc/50/97/30/619509730.db2.gz GFDWNNNHZHNKED-UHFFFAOYSA-N 1 1 281.331 2.552 20 30 CFEDMO C=CCCCCCCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894920468 619513330 /nfs/dbraw/zinc/51/33/30/619513330.db2.gz QZWCQIBUSWMELA-IYBDPMFKSA-N 1 1 293.455 2.716 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](Cc2c(Cl)c(C)nn2C)C1 ZINC000895559227 619555438 /nfs/dbraw/zinc/55/54/38/619555438.db2.gz MYAIMSZAHZKGBG-LLVKDONJSA-N 1 1 253.777 2.780 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2ncc(Br)cc2O)C1 ZINC000895560872 619555618 /nfs/dbraw/zinc/55/56/18/619555618.db2.gz UMMJDELCOVEVFD-JTQLQIEISA-N 1 1 297.196 2.948 20 30 CFEDMO CO[C@]1(C(F)(F)F)CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000895577464 619558856 /nfs/dbraw/zinc/55/88/56/619558856.db2.gz LEOQPCCIOYTPOC-GFCCVEGCSA-N 1 1 278.318 2.970 20 30 CFEDMO C=C(C)C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)C(=O)OCC ZINC000895592471 619565539 /nfs/dbraw/zinc/56/55/39/619565539.db2.gz QCQNCBBHZCRXPG-ZIAGYGMSSA-N 1 1 281.396 2.576 20 30 CFEDMO CCCCCCCC(=O)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000895697465 619587968 /nfs/dbraw/zinc/58/79/68/619587968.db2.gz ZLSFKXXHXLBTIY-MRXNPFEDSA-N 1 1 296.455 2.670 20 30 CFEDMO C=C1CCC(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000895740000 619593546 /nfs/dbraw/zinc/59/35/46/619593546.db2.gz KKGRNVIVXPCETO-AWEZNQCLSA-N 1 1 264.413 2.581 20 30 CFEDMO C#CC[NH+]1CCC(Nc2nc(C3CCCC3)ns2)CC1 ZINC000895811883 619613204 /nfs/dbraw/zinc/61/32/04/619613204.db2.gz KBNDXDOBRSRGMC-UHFFFAOYSA-N 1 1 290.436 2.705 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895844216 619617760 /nfs/dbraw/zinc/61/77/60/619617760.db2.gz MWIUFOWEUYGDAF-QAPCUYQASA-N 1 1 299.418 2.625 20 30 CFEDMO C=CCC1(O)CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000895835730 619620243 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ZINC000990086236 620408314 /nfs/dbraw/zinc/40/83/14/620408314.db2.gz VERIBBJHVCAEAE-DOTOQJQBSA-N 1 1 274.408 2.642 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3C(C)(C)C3(C)C)CCC[C@@H]12 ZINC000990149065 620410145 /nfs/dbraw/zinc/41/01/45/620410145.db2.gz LONBHOGFLZVYHJ-ACJLOTCBSA-N 1 1 290.451 2.968 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3ncccc3C)CCC[C@H]12 ZINC000990159200 620410403 /nfs/dbraw/zinc/41/04/03/620410403.db2.gz CSIXYVYUTADAAT-YJBOKZPZSA-N 1 1 299.418 2.693 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)Cc3ccoc3)CCC[C@@H]12 ZINC000990328358 620414480 /nfs/dbraw/zinc/41/44/80/620414480.db2.gz LFRKOSOQHNFLRL-NVXWUHKLSA-N 1 1 288.391 2.511 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)c3[nH]ccc3C)CCC[C@@H]12 ZINC000990490132 620426398 /nfs/dbraw/zinc/42/63/98/620426398.db2.gz AOVGDLOWMHTOGI-PBHICJAKSA-N 1 1 287.407 2.626 20 30 CFEDMO CCO[C@@H](C[NH2+][C@H](CC)c1cccc(C#N)c1)CN(C)C ZINC000926964397 620433816 /nfs/dbraw/zinc/43/38/16/620433816.db2.gz ROAIZOXBJAUFIO-DLBZAZTESA-N 1 1 289.423 2.566 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCc1ccc(CC#N)cc1 ZINC000923889731 620442389 /nfs/dbraw/zinc/44/23/89/620442389.db2.gz VRVANZMTLBXSDG-MRXNPFEDSA-N 1 1 286.375 2.669 20 30 CFEDMO C[C@H](CCC#N)C[NH2+]CC(F)(F)C1(O)CCCCC1 ZINC000898524240 620474946 /nfs/dbraw/zinc/47/49/46/620474946.db2.gz KQZLYOMSNPWEST-GFCCVEGCSA-N 1 1 274.355 2.846 20 30 CFEDMO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000899156823 620526459 /nfs/dbraw/zinc/52/64/59/620526459.db2.gz YVZGNJRFOBCBFM-CYBMUJFWSA-N 1 1 275.327 2.509 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000899156823 620526461 /nfs/dbraw/zinc/52/64/61/620526461.db2.gz YVZGNJRFOBCBFM-CYBMUJFWSA-N 1 1 275.327 2.509 20 30 CFEDMO C[N@H+]1CC[C@@H](CC(=O)Nc2ccc(C3CC3)c(C#N)c2)C1 ZINC000899221465 620535018 /nfs/dbraw/zinc/53/50/18/620535018.db2.gz JGGRPQWSNALHLC-LBPRGKRZSA-N 1 1 283.375 2.716 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cc4occc4[nH]3)CCC[C@@H]12 ZINC000990891424 620868815 /nfs/dbraw/zinc/86/88/15/620868815.db2.gz NREHKXJFPDXVHH-NVXWUHKLSA-N 1 1 299.374 2.674 20 30 CFEDMO C=C(Br)C[N@@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000163154550 625451476 /nfs/dbraw/zinc/45/14/76/625451476.db2.gz LDDDGEMVBOIVNL-VXGBXAGGSA-N 1 1 276.218 2.911 20 30 CFEDMO C=C(Br)C[NH2+]Cc1ccccc1NC ZINC000902198775 620996637 /nfs/dbraw/zinc/99/66/37/620996637.db2.gz GGQNVUAKJMZIMX-UHFFFAOYSA-N 1 1 255.159 2.727 20 30 CFEDMO C[C@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1cccc(C#N)c1 ZINC000902439961 621080657 /nfs/dbraw/zinc/08/06/57/621080657.db2.gz VVMPWVNZACHQCX-JBBXEZCESA-N 1 1 277.371 2.834 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000801919955 621128274 /nfs/dbraw/zinc/12/82/74/621128274.db2.gz PMUQZZJOXFGJTR-STQMWFEESA-N 1 1 262.328 2.544 20 30 CFEDMO C=CCCC[N@H+](CC)CN1C[C@@H]2CCCCN2C1=O ZINC000902669254 621148806 /nfs/dbraw/zinc/14/88/06/621148806.db2.gz JIWWPWIWCPDLEZ-AWEZNQCLSA-N 1 1 265.401 2.522 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(C#N)ccn1 ZINC000902725278 621158778 /nfs/dbraw/zinc/15/87/78/621158778.db2.gz UEYAGVSPQNHHOL-GFCCVEGCSA-N 1 1 295.342 2.575 20 30 CFEDMO COc1ccc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)cc1F ZINC000902732375 621160489 /nfs/dbraw/zinc/16/04/89/621160489.db2.gz BZUQBGNKPLWXRC-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO C[C@@H](CN[C@@H](C)c1cc(C#N)ccn1)[N@H+]1CCC[C@@H](C)C1 ZINC000902746461 621163623 /nfs/dbraw/zinc/16/36/23/621163623.db2.gz HZZKFNIVVZZBMF-ILXRZTDVSA-N 1 1 286.423 2.724 20 30 CFEDMO C[C@@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)N1CCC[C@@H](C)C1 ZINC000902746461 621163624 /nfs/dbraw/zinc/16/36/24/621163624.db2.gz HZZKFNIVVZZBMF-ILXRZTDVSA-N 1 1 286.423 2.724 20 30 CFEDMO COc1ccc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)c(OC)c1 ZINC000902756839 621165644 /nfs/dbraw/zinc/16/56/44/621165644.db2.gz MSPISLZNNYAHPZ-LBPRGKRZSA-N 1 1 297.358 2.821 20 30 CFEDMO CC[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1cccc(C#N)c1 ZINC000902830248 621183552 /nfs/dbraw/zinc/18/35/52/621183552.db2.gz MIHAICKLPXBUDW-YOEHRIQHSA-N 1 1 271.408 2.941 20 30 CFEDMO CC[C@H](NCC[N@H+]1CC[C@H](C)C1)c1cccc(C#N)c1 ZINC000902830248 621183555 /nfs/dbraw/zinc/18/35/55/621183555.db2.gz MIHAICKLPXBUDW-YOEHRIQHSA-N 1 1 271.408 2.941 20 30 CFEDMO CC[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1cccc(C#N)c1 ZINC000902830247 621183663 /nfs/dbraw/zinc/18/36/63/621183663.db2.gz MIHAICKLPXBUDW-WMLDXEAASA-N 1 1 271.408 2.941 20 30 CFEDMO CC[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1cccc(C#N)c1 ZINC000902830247 621183666 /nfs/dbraw/zinc/18/36/66/621183666.db2.gz MIHAICKLPXBUDW-WMLDXEAASA-N 1 1 271.408 2.941 20 30 CFEDMO CC[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cccc(C#N)c1 ZINC000902969357 621211773 /nfs/dbraw/zinc/21/17/73/621211773.db2.gz DMAWDCBHMBWKDV-XHDPSFHLSA-N 1 1 296.378 2.682 20 30 CFEDMO CC[C@H](NC[C@@H](C)C[NH+](C)C)c1cccc(C#N)c1 ZINC000902998724 621224614 /nfs/dbraw/zinc/22/46/14/621224614.db2.gz HOWWYIZXDPUIJM-CJNGLKHVSA-N 1 1 259.397 2.797 20 30 CFEDMO C[C@@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc(C#N)ccn1 ZINC000903070804 621249822 /nfs/dbraw/zinc/24/98/22/621249822.db2.gz XLFNKOASGFRWFO-CJNGLKHVSA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@@H](NC[C@@H]1CC[N@H+]1C1CCCC1)c1cc(C#N)ccn1 ZINC000903070804 621249825 /nfs/dbraw/zinc/24/98/25/621249825.db2.gz XLFNKOASGFRWFO-CJNGLKHVSA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@H](NC[C@@H]1CC[N@@H+]1C1CCCC1)c1cc(C#N)ccn1 ZINC000903070803 621249907 /nfs/dbraw/zinc/24/99/07/621249907.db2.gz XLFNKOASGFRWFO-BBRMVZONSA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@H](NC[C@@H]1CC[N@H+]1C1CCCC1)c1cc(C#N)ccn1 ZINC000903070803 621249908 /nfs/dbraw/zinc/24/99/08/621249908.db2.gz XLFNKOASGFRWFO-BBRMVZONSA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@H](NCC(C)(C)C#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000903100773 621252800 /nfs/dbraw/zinc/25/28/00/621252800.db2.gz XJYTUKNNCIEGEQ-AWEZNQCLSA-N 1 1 289.423 2.827 20 30 CFEDMO COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC1(C#N)CC1)CCC2 ZINC000903105903 621254797 /nfs/dbraw/zinc/25/47/97/621254797.db2.gz IMSQEIRXQBIMCP-OAHLLOKOSA-N 1 1 284.359 2.744 20 30 CFEDMO COc1cc([C@@H](C)[NH2+]CC2(C#N)CCCC2)ccn1 ZINC000903108997 621255819 /nfs/dbraw/zinc/25/58/19/621255819.db2.gz KAHMIHXYTZJZEZ-GFCCVEGCSA-N 1 1 259.353 2.825 20 30 CFEDMO C[N@H+]1CC[C@H](NCC2(C#N)CCCC2)[C@H]2CCC[C@@H]21 ZINC000903108441 621256063 /nfs/dbraw/zinc/25/60/63/621256063.db2.gz CTFJKZBXDAGORT-ILXRZTDVSA-N 1 1 261.413 2.533 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@](C)(CN)C(C)C ZINC000903426845 621370465 /nfs/dbraw/zinc/37/04/65/621370465.db2.gz PQYLHNAIVGNUJB-MRXNPFEDSA-N 1 1 259.397 2.638 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN[C@](C)(C[NH3+])C(C)C ZINC000903426845 621370467 /nfs/dbraw/zinc/37/04/67/621370467.db2.gz PQYLHNAIVGNUJB-MRXNPFEDSA-N 1 1 259.397 2.638 20 30 CFEDMO C[C@H]([NH3+])C1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000903422638 621379349 /nfs/dbraw/zinc/37/93/49/621379349.db2.gz HCISNBBYOXBHDR-NSHDSACASA-N 1 1 277.799 2.771 20 30 CFEDMO N#CC1CCC(C[N@@H+]2CCNCCC23CCC3)CC1 ZINC000903482803 621392837 /nfs/dbraw/zinc/39/28/37/621392837.db2.gz UDVWNIMOBQRXBQ-UHFFFAOYSA-N 1 1 261.413 2.534 20 30 CFEDMO N#CC1CCC(C[N@H+]2CCNCCC23CCC3)CC1 ZINC000903482803 621392839 /nfs/dbraw/zinc/39/28/39/621392839.db2.gz UDVWNIMOBQRXBQ-UHFFFAOYSA-N 1 1 261.413 2.534 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2nc(C)cs2)no1 ZINC000904606097 621614932 /nfs/dbraw/zinc/61/49/32/621614932.db2.gz YGMBGOGMPFQZND-SECBINFHSA-N 1 1 264.354 2.858 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc3nc[nH]c3c2)no1 ZINC000904607154 621615576 /nfs/dbraw/zinc/61/55/76/621615576.db2.gz MQGJLPNMSMCZCA-LLVKDONJSA-N 1 1 283.335 2.969 20 30 CFEDMO C[N@H+]1CC[C@@H]1C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000905003496 621680235 /nfs/dbraw/zinc/68/02/35/621680235.db2.gz TZQYUDWOXZBVNH-UWJMNNEMSA-N 1 1 273.163 2.822 20 30 CFEDMO CN1CC[C@@H]1C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000905003496 621680237 /nfs/dbraw/zinc/68/02/37/621680237.db2.gz TZQYUDWOXZBVNH-UWJMNNEMSA-N 1 1 273.163 2.822 20 30 CFEDMO C[C@@H](C#N)C[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905104389 621700305 /nfs/dbraw/zinc/70/03/05/621700305.db2.gz FRNGORRIDZMLDJ-UFBFGSQYSA-N 1 1 273.163 2.776 20 30 CFEDMO CCO[C@@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000905456803 621776842 /nfs/dbraw/zinc/77/68/42/621776842.db2.gz NNBJQIYIPFDRBT-LLVKDONJSA-N 1 1 286.173 2.829 20 30 CFEDMO C=CC[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1)C(=O)OC ZINC000905762134 621854122 /nfs/dbraw/zinc/85/41/22/621854122.db2.gz QSVKOAOHYQOVFK-DGAVXFQQSA-N 1 1 251.370 2.663 20 30 CFEDMO C=CC[C@@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)C(=O)OC ZINC000905767971 621857851 /nfs/dbraw/zinc/85/78/51/621857851.db2.gz RHMMMCAXJFKQRX-VXGBXAGGSA-N 1 1 275.339 2.909 20 30 CFEDMO CC1(C)C[N@@H+](C[C@@H](O)CC2(C#N)CCC2)[C@@H]1C1CC1 ZINC000905960096 621912704 /nfs/dbraw/zinc/91/27/04/621912704.db2.gz WYLKSWBSAMOOJD-UONOGXRCSA-N 1 1 262.397 2.552 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)c2cc(C)oc2C)C1 ZINC001015860105 625530315 /nfs/dbraw/zinc/53/03/15/625530315.db2.gz ITWSNAVPTCAKFO-UKRRQHHQSA-N 1 1 290.407 2.767 20 30 CFEDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(C)c1C#N ZINC000906241055 621964019 /nfs/dbraw/zinc/96/40/19/621964019.db2.gz SAZZBFPOOUVEHR-HZPDHXFCSA-N 1 1 297.402 2.532 20 30 CFEDMO Cc1cc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc(C)c1C#N ZINC000906765619 622042868 /nfs/dbraw/zinc/04/28/68/622042868.db2.gz HIDFCTAQSKLASF-QGZVFWFLSA-N 1 1 299.418 2.587 20 30 CFEDMO Cc1cc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc(C)c1C#N ZINC000906793900 622047920 /nfs/dbraw/zinc/04/79/20/622047920.db2.gz TXOADOSQPFXMHF-WMLDXEAASA-N 1 1 299.418 2.587 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)c2cccc(C#N)c2)C1 ZINC000906858902 622058248 /nfs/dbraw/zinc/05/82/48/622058248.db2.gz AUTAAQNNABTRDV-PBHICJAKSA-N 1 1 299.418 2.857 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cccc(CC)n3)CCC[C@H]12 ZINC000991086859 622063288 /nfs/dbraw/zinc/06/32/88/622063288.db2.gz DHOKNZRHLQSASM-WMZOPIPTSA-N 1 1 299.418 2.557 20 30 CFEDMO C=CCC(C)(C)CNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000908396912 622227011 /nfs/dbraw/zinc/22/70/11/622227011.db2.gz JYYIDECQJGLCNM-ZIAGYGMSSA-N 1 1 264.413 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624716256 /nfs/dbraw/zinc/71/62/56/624716256.db2.gz XMLRKSVKTHBDBA-GOSISDBHSA-N 1 1 268.404 2.606 20 30 CFEDMO CC(=[NH+]N[C@@H](C)c1ccccc1)c1csc(N)n1 ZINC000920382133 624717055 /nfs/dbraw/zinc/71/70/55/624717055.db2.gz DFXRRSCKTFMUFV-VIFPVBQESA-N 1 1 260.366 2.800 20 30 CFEDMO COc1ccc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)cc1C#N ZINC000830408464 624735128 /nfs/dbraw/zinc/73/51/28/624735128.db2.gz BRDOHMHALFCHQZ-HNNXBMFYSA-N 1 1 299.374 2.522 20 30 CFEDMO COc1ccc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)cc1C#N ZINC000830408464 624735133 /nfs/dbraw/zinc/73/51/33/624735133.db2.gz BRDOHMHALFCHQZ-HNNXBMFYSA-N 1 1 299.374 2.522 20 30 CFEDMO N#Cc1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000921480925 624910165 /nfs/dbraw/zinc/91/01/65/624910165.db2.gz WSCQWCUKGHZXEQ-INIZCTEOSA-N 1 1 297.427 2.984 20 30 CFEDMO N#Cc1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000921480925 624910167 /nfs/dbraw/zinc/91/01/67/624910167.db2.gz WSCQWCUKGHZXEQ-INIZCTEOSA-N 1 1 297.427 2.984 20 30 CFEDMO C#Cc1cccc(NC(=O)N(CCC)[C@H]2CC[N@@H+](C)C2)c1 ZINC000831177776 624969021 /nfs/dbraw/zinc/96/90/21/624969021.db2.gz CYOWTGHPZWBJEK-INIZCTEOSA-N 1 1 285.391 2.616 20 30 CFEDMO C#CC[N@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000831594254 625065456 /nfs/dbraw/zinc/06/54/56/625065456.db2.gz SGIIIHUIBXUAPU-GFCCVEGCSA-N 1 1 264.166 2.872 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000831594254 625065462 /nfs/dbraw/zinc/06/54/62/625065462.db2.gz SGIIIHUIBXUAPU-GFCCVEGCSA-N 1 1 264.166 2.872 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1cccc(Cl)c1 ZINC000760821633 626775084 /nfs/dbraw/zinc/77/50/84/626775084.db2.gz VWMPMRZHYZYQFD-UHFFFAOYSA-N 1 1 251.757 2.812 20 30 CFEDMO CCCC[N@@H+](CCO[C@H](C)C#N)[C@@H]1CCCC[C@H]1OC ZINC000831786864 625125691 /nfs/dbraw/zinc/12/56/91/625125691.db2.gz CKSRWSYKPHZLIH-BZUAXINKSA-N 1 1 282.428 2.975 20 30 CFEDMO CCCCCCCC[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000831796446 625133518 /nfs/dbraw/zinc/13/35/18/625133518.db2.gz QPVKYGUVTOTJQU-IYBDPMFKSA-N 1 1 270.461 2.734 20 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/nfs/dbraw/zinc/32/21/67/627322167.db2.gz VLZKOVUXKQBNQN-UHFFFAOYSA-N 1 1 297.406 2.854 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)Cc1cn(C)nc1-c1ccncc1 ZINC000768155212 627322169 /nfs/dbraw/zinc/32/21/69/627322169.db2.gz VLZKOVUXKQBNQN-UHFFFAOYSA-N 1 1 297.406 2.854 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000768173281 627323056 /nfs/dbraw/zinc/32/30/56/627323056.db2.gz UXDRWQQGAJGSPO-GOEBONIOSA-N 1 1 273.376 2.698 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1C[C@H](C)OC[C@H]1CC ZINC000768173281 627323059 /nfs/dbraw/zinc/32/30/59/627323059.db2.gz UXDRWQQGAJGSPO-GOEBONIOSA-N 1 1 273.376 2.698 20 30 CFEDMO Oc1c(F)cc(Cl)cc1C=NNCC[NH+]1CCCCC1 ZINC000768361685 627336598 /nfs/dbraw/zinc/33/65/98/627336598.db2.gz UFYDQGGIOPEWLK-UHFFFAOYSA-N 1 1 299.777 2.594 20 30 CFEDMO CC[N@H+](Cc1ccc(O[C@@H](C)C#N)cc1)C[C@@H]1CCOC1 ZINC000768521206 627349634 /nfs/dbraw/zinc/34/96/34/627349634.db2.gz NEJNUHYGDOIWPO-HOCLYGCPSA-N 1 1 288.391 2.836 20 30 CFEDMO C[N@H+](CC(=O)OCCCCC(C)(C)C#N)[C@H]1CCSC1 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C#CCOCC[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000851879524 634569782 /nfs/dbraw/zinc/56/97/82/634569782.db2.gz KPRIBPKYQCEUTC-HNNXBMFYSA-N 1 1 297.402 2.701 20 30 CFEDMO C#CCOCC[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000851879524 634569785 /nfs/dbraw/zinc/56/97/85/634569785.db2.gz KPRIBPKYQCEUTC-HNNXBMFYSA-N 1 1 297.402 2.701 20 30 CFEDMO C#CC[N@H+](CC)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000769104417 627402900 /nfs/dbraw/zinc/40/29/00/627402900.db2.gz GSOCUDDXKUHYIO-UHFFFAOYSA-N 1 1 253.349 2.840 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000769975953 627493799 /nfs/dbraw/zinc/49/37/99/627493799.db2.gz PWXTYVDYZDYKFC-SNVBAGLBSA-N 1 1 282.181 2.911 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(Br)ccc1OC ZINC000769975953 627493803 /nfs/dbraw/zinc/49/38/03/627493803.db2.gz PWXTYVDYZDYKFC-SNVBAGLBSA-N 1 1 282.181 2.911 20 30 CFEDMO C=CC[C@H]1[N@H+](C[C@@H](O)CN2CCCC2)CCCC1(C)C ZINC000769954840 627491018 /nfs/dbraw/zinc/49/10/18/627491018.db2.gz WWJLLEJIRBRQGP-JKSUJKDBSA-N 1 1 280.456 2.510 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000770373568 627516562 /nfs/dbraw/zinc/51/65/62/627516562.db2.gz HJNJXDFLAAXJPY-ZWKOTPCHSA-N 1 1 299.414 2.947 20 30 CFEDMO Cn1c(Cl)cnc1C[N@H+](C)CCc1ccc(C#N)cc1 ZINC000851913672 634586896 /nfs/dbraw/zinc/58/68/96/634586896.db2.gz XSSITKNAIOOITG-UHFFFAOYSA-N 1 1 288.782 2.620 20 30 CFEDMO Cn1c(Cl)cnc1C[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000851913672 634586901 /nfs/dbraw/zinc/58/69/01/634586901.db2.gz XSSITKNAIOOITG-UHFFFAOYSA-N 1 1 288.782 2.620 20 30 CFEDMO C#CCCC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000771461242 627606071 /nfs/dbraw/zinc/60/60/71/627606071.db2.gz FCDGYFFLLGZIRG-UHFFFAOYSA-N 1 1 283.371 2.960 20 30 CFEDMO C=CC[N@H+](Cn1cnc2cc(F)c(F)cc21)C1CC1 ZINC000771640209 627620316 /nfs/dbraw/zinc/62/03/16/627620316.db2.gz LXDCPZZAPZTWSA-UHFFFAOYSA-N 1 1 263.291 2.922 20 30 CFEDMO C[C@H](CC#N)NN=C1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000771888344 627643095 /nfs/dbraw/zinc/64/30/95/627643095.db2.gz JYXBQVOPRXVBFH-HUUCEWRRSA-N 1 1 284.407 2.776 20 30 CFEDMO C#CCCC[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000772381854 627707031 /nfs/dbraw/zinc/70/70/31/627707031.db2.gz NMRRKQYUJUCVKK-ZDUSSCGKSA-N 1 1 298.308 2.967 20 30 CFEDMO C=CCC[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccccc1 ZINC000772856802 627751389 /nfs/dbraw/zinc/75/13/89/627751389.db2.gz RMZWHKBPGDEXEJ-MSOLQXFVSA-N 1 1 288.435 2.740 20 30 CFEDMO CC[N@H+]1CC[C@@H](NCc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000773029350 627771665 /nfs/dbraw/zinc/77/16/65/627771665.db2.gz YJLRKKKIGBZLRK-BLLLJJGKSA-N 1 1 275.371 2.517 20 30 CFEDMO C#CCCCC[NH2+][C@H]1CCN(CCCOCC)C[C@H]1C ZINC000773041814 627773161 /nfs/dbraw/zinc/77/31/61/627773161.db2.gz SJLDIMFFLPNCEL-SJORKVTESA-N 1 1 280.456 2.517 20 30 CFEDMO C=C(CC)C[N@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000773422055 627817296 /nfs/dbraw/zinc/81/72/96/627817296.db2.gz QOAZPEQZFDRNHN-ZDUSSCGKSA-N 1 1 277.364 2.519 20 30 CFEDMO C=C(CC)C[N@@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000773422055 627817299 /nfs/dbraw/zinc/81/72/99/627817299.db2.gz QOAZPEQZFDRNHN-ZDUSSCGKSA-N 1 1 277.364 2.519 20 30 CFEDMO CC(C)C1(O)C[NH+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000773893239 627868762 /nfs/dbraw/zinc/86/87/62/627868762.db2.gz MBPGGQODTBWUNA-UHFFFAOYSA-N 1 1 272.392 2.690 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)/C(C)=C\C(C)(C)C ZINC000774063182 627883496 /nfs/dbraw/zinc/88/34/96/627883496.db2.gz RQSQOSPZPXJLDV-FZDNWWAKSA-N 1 1 263.381 2.620 20 30 CFEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1ccnn1C ZINC000774345201 627917628 /nfs/dbraw/zinc/91/76/28/627917628.db2.gz BPGGMLOFVKHNGT-QWRGUYRKSA-N 1 1 272.327 2.843 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000851987723 634617207 /nfs/dbraw/zinc/61/72/07/634617207.db2.gz XHAIMHYTWOLBPC-AWEZNQCLSA-N 1 1 278.440 2.615 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC[C@@H]1Sc2ccccc2NC1=O ZINC000851987877 634617435 /nfs/dbraw/zinc/61/74/35/634617435.db2.gz YFSUCPNMFPGTOK-AWEZNQCLSA-N 1 1 288.416 2.833 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000775177650 627998024 /nfs/dbraw/zinc/99/80/24/627998024.db2.gz BTKKSFRRGRUQRN-VIFPVBQESA-N 1 1 253.729 2.508 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000775184034 627999119 /nfs/dbraw/zinc/99/91/19/627999119.db2.gz SQJFSTBCQZCUQB-VIFPVBQESA-N 1 1 268.154 2.608 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)[C@@H]1CCCO1 ZINC000775340307 628011689 /nfs/dbraw/zinc/01/16/89/628011689.db2.gz GYRFFAPPMPKFAC-AEIGPULVSA-N 1 1 259.349 2.673 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(OC)cc1F)[C@@H]1CCCO1 ZINC000775571399 628039791 /nfs/dbraw/zinc/03/97/91/628039791.db2.gz GQTWDJHWSZMGIC-RLCCDNCMSA-N 1 1 277.339 2.666 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)[C@@H]1CCCO1 ZINC000775573748 628041531 /nfs/dbraw/zinc/04/15/31/628041531.db2.gz JMIKGVSZTKAZCQ-OBJOEFQTSA-N 1 1 290.432 2.853 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000775590068 628043286 /nfs/dbraw/zinc/04/32/86/628043286.db2.gz BDSQRDMFWVFNJU-ZDUSSCGKSA-N 1 1 268.401 2.799 20 30 CFEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H]1CCCCNC1=O ZINC000775593235 628044091 /nfs/dbraw/zinc/04/40/91/628044091.db2.gz BNWHISMGEINOQE-INIZCTEOSA-N 1 1 299.418 2.588 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000775792992 628068826 /nfs/dbraw/zinc/06/88/26/628068826.db2.gz BZIDSCLNOXLCKN-TZMCWYRMSA-N 1 1 294.738 2.519 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1nc2ccccc2s1)[C@@H]1CCCO1 ZINC000775794477 628069708 /nfs/dbraw/zinc/06/97/08/628069708.db2.gz QWHJDQFZHCIUQW-YPMHNXCESA-N 1 1 272.373 2.567 20 30 CFEDMO CC(C)(C#N)CC[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000775857880 628076459 /nfs/dbraw/zinc/07/64/59/628076459.db2.gz QLBXFOOJEOIBSW-UHFFFAOYSA-N 1 1 276.302 2.770 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1 ZINC000775984912 628091751 /nfs/dbraw/zinc/09/17/51/628091751.db2.gz IDGKIRDGGOHXCC-KFWWJZLASA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)cc1 ZINC000775984912 628091755 /nfs/dbraw/zinc/09/17/55/628091755.db2.gz IDGKIRDGGOHXCC-KFWWJZLASA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN(C)[C@H](C)[C@@H]2C)cc1 ZINC000775984912 628091758 /nfs/dbraw/zinc/09/17/58/628091758.db2.gz IDGKIRDGGOHXCC-KFWWJZLASA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000776007886 628094201 /nfs/dbraw/zinc/09/42/01/628094201.db2.gz NOOLQTOBHRTBRL-LBPRGKRZSA-N 1 1 285.347 2.598 20 30 CFEDMO C[C@@H](NC[C@@H](C1CC1)[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000776159336 628108189 /nfs/dbraw/zinc/10/81/89/628108189.db2.gz VLFCRPWPJPUHBS-DYVFJYSZSA-N 1 1 287.407 2.580 20 30 CFEDMO CN(C)c1cc[nH+]cc1C=[NH+][N-]c1ncnc2ccsc21 ZINC000776187381 628113904 /nfs/dbraw/zinc/11/39/04/628113904.db2.gz FXRCJJCPTXKEKS-UHFFFAOYSA-N 1 1 298.375 2.598 20 30 CFEDMO C#CCOCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000852038451 634633371 /nfs/dbraw/zinc/63/33/71/634633371.db2.gz DKZGPTKMXUKPEV-RCCFBDPRSA-N 1 1 269.388 2.904 20 30 CFEDMO CCC1(CC)CC[NH+](Cn2cccc(C#N)c2=O)CC1 ZINC000776771734 628176379 /nfs/dbraw/zinc/17/63/79/628176379.db2.gz NAQGLYVJRWQRFD-UHFFFAOYSA-N 1 1 273.380 2.580 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000776786980 628178331 /nfs/dbraw/zinc/17/83/31/628178331.db2.gz GRIUZBRJBFIXNZ-MRXNPFEDSA-N 1 1 286.375 2.594 20 30 CFEDMO C#CCOc1cc(F)ccc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000777123910 628201813 /nfs/dbraw/zinc/20/18/13/628201813.db2.gz QBUYWELALVFVAJ-GXTWGEPZSA-N 1 1 276.355 2.732 20 30 CFEDMO C=C(Br)C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777742078 628250253 /nfs/dbraw/zinc/25/02/53/628250253.db2.gz DTYRCIJJGBCZMI-GFCCVEGCSA-N 1 1 274.202 2.786 20 30 CFEDMO COC[C@H](C)NN=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000777895175 628262514 /nfs/dbraw/zinc/26/25/14/628262514.db2.gz WDUFQRMKUYRHPF-HNNXBMFYSA-N 1 1 291.439 2.755 20 30 CFEDMO COC[C@@H](C)NN=C1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000777902515 628263470 /nfs/dbraw/zinc/26/34/70/628263470.db2.gz KCLIFEBOINSZEZ-LSDHHAIUSA-N 1 1 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COc1ccc(C(N)=[NH+]OCCC2CCCC2)cc1 ZINC000783552357 628719544 /nfs/dbraw/zinc/71/95/44/628719544.db2.gz CRUUNHXDJCCJNO-UHFFFAOYSA-N 1 1 262.353 2.912 20 30 CFEDMO C#CCOCC[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000852171966 634678552 /nfs/dbraw/zinc/67/85/52/634678552.db2.gz CLUUWKAWNBRGTR-QGZVFWFLSA-N 1 1 269.388 2.906 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@H]2C)cc1 ZINC000783738931 628740361 /nfs/dbraw/zinc/74/03/61/628740361.db2.gz ZKTQYRQFPYNMFV-BARDWOONSA-N 1 1 288.391 2.975 20 30 CFEDMO C=C(C)C[N@H+](C)CN1C[C@H](c2ccc(C)cc2)CC1=O ZINC000783991093 628760009 /nfs/dbraw/zinc/76/00/09/628760009.db2.gz COZDAUHGGBWZIQ-MRXNPFEDSA-N 1 1 272.392 2.776 20 30 CFEDMO C=C(C)C[N@@H+](C)CN1C[C@H](c2ccc(C)cc2)CC1=O ZINC000783991093 628760012 /nfs/dbraw/zinc/76/00/12/628760012.db2.gz COZDAUHGGBWZIQ-MRXNPFEDSA-N 1 1 272.392 2.776 20 30 CFEDMO Cc1noc(C)c1C[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000784125670 628780240 /nfs/dbraw/zinc/78/02/40/628780240.db2.gz KYNCNWGQQADYAD-UHFFFAOYSA-N 1 1 269.348 2.990 20 30 CFEDMO Cc1noc(C)c1C[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000784125670 628780243 /nfs/dbraw/zinc/78/02/43/628780243.db2.gz KYNCNWGQQADYAD-UHFFFAOYSA-N 1 1 269.348 2.990 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000852193027 634685010 /nfs/dbraw/zinc/68/50/10/634685010.db2.gz WPZSROOFAMRFFS-IUODEOHRSA-N 1 1 274.364 2.703 20 30 CFEDMO Cc1ccc(OCC[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000784442309 628817263 /nfs/dbraw/zinc/81/72/63/628817263.db2.gz JIALVLQNPZLFNQ-MRXNPFEDSA-N 1 1 258.365 3.000 20 30 CFEDMO Cc1ccc(OCC[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000784442309 628817265 /nfs/dbraw/zinc/81/72/65/628817265.db2.gz JIALVLQNPZLFNQ-MRXNPFEDSA-N 1 1 258.365 3.000 20 30 CFEDMO Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000784448934 628817803 /nfs/dbraw/zinc/81/78/03/628817803.db2.gz CFAVEMUIHSYPIG-HOTGVXAUSA-N 1 1 258.365 2.654 20 30 CFEDMO Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000784448934 628817806 /nfs/dbraw/zinc/81/78/06/628817806.db2.gz 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/nfs/dbraw/zinc/68/83/37/634688337.db2.gz FITVZHFNVPZNJB-BRWVUGGUSA-N 1 1 262.441 2.700 20 30 CFEDMO C=CC[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C(C)C ZINC000785440599 628883412 /nfs/dbraw/zinc/88/34/12/628883412.db2.gz DHLQJFHICXUBBF-GFCCVEGCSA-N 1 1 256.390 2.796 20 30 CFEDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCc1ccc(C#N)cc1F ZINC000785732606 628908856 /nfs/dbraw/zinc/90/88/56/628908856.db2.gz OEBKBTPDBLRPFI-RYUDHWBXSA-N 1 1 290.338 2.613 20 30 CFEDMO C#CC[C@@H]([NH2+]Cc1cccnc1OC)c1ccccc1 ZINC000785785170 628913848 /nfs/dbraw/zinc/91/38/48/628913848.db2.gz FGYPMSNNWDRXHV-MRXNPFEDSA-N 1 1 266.344 2.944 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1CC1CCC2(CC1)OCCO2 ZINC000785997034 628928936 /nfs/dbraw/zinc/92/89/36/628928936.db2.gz JUGPHHYIGYTJDO-HNNXBMFYSA-N 1 1 265.397 2.960 20 30 CFEDMO CC#CC[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794111 628929119 /nfs/dbraw/zinc/92/91/19/628929119.db2.gz QLTLJPONIXADIF-QGZVFWFLSA-N 1 1 292.423 2.733 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@H](c2ccccc2F)CC1=O ZINC000786102365 628937062 /nfs/dbraw/zinc/93/70/62/628937062.db2.gz WJBQXVLDDHPBQT-CYBMUJFWSA-N 1 1 276.355 2.607 20 30 CFEDMO C=C[C@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786499332 628961514 /nfs/dbraw/zinc/96/15/14/628961514.db2.gz CBGKVOOOHMPAET-VIFPVBQESA-N 1 1 293.273 2.936 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1cc(Br)nn1C ZINC000787047750 628990235 /nfs/dbraw/zinc/99/02/35/628990235.db2.gz DINVXWSZEQPDIX-UHFFFAOYSA-N 1 1 272.190 2.581 20 30 CFEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000787157623 628996739 /nfs/dbraw/zinc/99/67/39/628996739.db2.gz LMXOUJUXBXLYRF-UONOGXRCSA-N 1 1 297.402 2.557 20 30 CFEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000787157623 628996743 /nfs/dbraw/zinc/99/67/43/628996743.db2.gz LMXOUJUXBXLYRF-UONOGXRCSA-N 1 1 297.402 2.557 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@H](CC(C)(C)C)CC1=O ZINC000787236307 629000953 /nfs/dbraw/zinc/00/09/53/629000953.db2.gz QTDAKNSSDZGSCS-ZDUSSCGKSA-N 1 1 252.402 2.737 20 30 CFEDMO 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CC#CCCCCOC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810679166 631425716 /nfs/dbraw/zinc/42/57/16/631425716.db2.gz LUWJJYRKBUJKIU-MRXNPFEDSA-N 1 1 283.387 2.936 20 30 CFEDMO C=CCCOCCCCC(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810843039 631455163 /nfs/dbraw/zinc/45/51/63/631455163.db2.gz VBJDCTDFHMSSQK-CVEARBPZSA-N 1 1 295.423 2.919 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1C(=O)N(C)C)C(C)C ZINC000841831269 631478099 /nfs/dbraw/zinc/47/80/99/631478099.db2.gz SEGVCTRFOWFTPL-UHFFFAOYSA-N 1 1 260.381 2.785 20 30 CFEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H]1CC=CCC1 ZINC000842154821 631555091 /nfs/dbraw/zinc/55/50/91/631555091.db2.gz WZZZGSCDUYCLKH-YOEHRIQHSA-N 1 1 270.376 2.880 20 30 CFEDMO CCCCCCCC[N@H+]1C[C@H](C)N(CCO)C[C@H]1C ZINC000842164620 631558490 /nfs/dbraw/zinc/55/84/90/631558490.db2.gz YBTSXQXMXSJMCC-CVEARBPZSA-N 1 1 270.461 2.734 20 30 CFEDMO C=CC[N@@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC000811455980 631565024 /nfs/dbraw/zinc/56/50/24/631565024.db2.gz ARYRWNQVKRGAJY-UHFFFAOYSA-N 1 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HKHPTOLBCDTURE-OAHLLOKOSA-N 1 1 289.423 2.651 20 30 CFEDMO CCc1cccc(C)c1N[NH+]=Cc1cnc(N(C)C)n1C ZINC000811647992 631592415 /nfs/dbraw/zinc/59/24/15/631592415.db2.gz IFHDFHJNDMFCPC-UHFFFAOYSA-N 1 1 285.395 2.803 20 30 CFEDMO Cl/C=C\CON=C1CC[NH+](Cc2ccccn2)CC1 ZINC000811667721 631603015 /nfs/dbraw/zinc/60/30/15/631603015.db2.gz BQVRWPXYVLUXDL-CLTKARDFSA-N 1 1 279.771 2.803 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(C)c(C#N)c1 ZINC000811963540 631646475 /nfs/dbraw/zinc/64/64/75/631646475.db2.gz PLHJTOYTEIFBLF-CQSZACIVSA-N 1 1 287.407 2.717 20 30 CFEDMO C#CCON=C1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000812233714 631672395 /nfs/dbraw/zinc/67/23/95/631672395.db2.gz VIVJSDDMLSJCAN-AWEZNQCLSA-N 1 1 256.349 2.534 20 30 CFEDMO CC1(C)CCC[C@@H]1[C@@H]1CC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000842635323 631688688 /nfs/dbraw/zinc/68/86/88/631688688.db2.gz MAZVZBSJZOBAEI-HZPDHXFCSA-N 1 1 299.418 2.826 20 30 CFEDMO C[C@@]1(CNC(=O)CCCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000812546956 631732290 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ZINC000843392597 631943387 /nfs/dbraw/zinc/94/33/87/631943387.db2.gz HLYIJBUQWGOGPJ-UHFFFAOYSA-N 1 1 253.349 2.636 20 30 CFEDMO C#CC[N@H+](CC)Cc1cnn(-c2ccccc2C)c1 ZINC000843392597 631943390 /nfs/dbraw/zinc/94/33/90/631943390.db2.gz HLYIJBUQWGOGPJ-UHFFFAOYSA-N 1 1 253.349 2.636 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cnn(-c2ccccc2C)c1 ZINC000843406265 631946639 /nfs/dbraw/zinc/94/66/39/631946639.db2.gz MVWQMQLFDSUMFN-CQSZACIVSA-N 1 1 253.349 2.634 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2C)c1 ZINC000843406265 631946641 /nfs/dbraw/zinc/94/66/41/631946641.db2.gz MVWQMQLFDSUMFN-CQSZACIVSA-N 1 1 253.349 2.634 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000843423688 631952442 /nfs/dbraw/zinc/95/24/42/631952442.db2.gz IFHXIWFZZMEXOW-AWEZNQCLSA-N 1 1 259.397 2.873 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000843423627 631952569 /nfs/dbraw/zinc/95/25/69/631952569.db2.gz HJTUKCJDKQXFDY-INIZCTEOSA-N 1 1 283.419 2.917 20 30 CFEDMO C#CC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000843426729 631954706 /nfs/dbraw/zinc/95/47/06/631954706.db2.gz IGEKMAFRKRXTJL-UHFFFAOYSA-N 1 1 253.267 2.949 20 30 CFEDMO CCCCCCCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000814145228 632018654 /nfs/dbraw/zinc/01/86/54/632018654.db2.gz MBELPPVLJNCCHR-KBPBESRZSA-N 1 1 252.402 2.509 20 30 CFEDMO CCCCCCCCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000814144860 632018702 /nfs/dbraw/zinc/01/87/02/632018702.db2.gz JLDGZLVJRKELKZ-GJZGRUSLSA-N 1 1 266.429 2.900 20 30 CFEDMO C#C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000843967600 632086324 /nfs/dbraw/zinc/08/63/24/632086324.db2.gz OBBPPAHVOKIGLT-ZWKOTPCHSA-N 1 1 296.414 2.884 20 30 CFEDMO CC(C)CC(N)=[NH+]OCc1ccn(-c2ccccc2)n1 ZINC000105394149 632086470 /nfs/dbraw/zinc/08/64/70/632086470.db2.gz SWRYYKRUJMHGGP-UHFFFAOYSA-N 1 1 272.352 2.707 20 30 CFEDMO C#CC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000844047935 632103161 /nfs/dbraw/zinc/10/31/61/632103161.db2.gz ZKIDMYHWZZRTKE-UHFFFAOYSA-N 1 1 276.424 2.513 20 30 CFEDMO CCC(=[NH+]OCCOC)c1ccc(Cl)c(N)c1 ZINC000814865213 632141201 /nfs/dbraw/zinc/14/12/01/632141201.db2.gz RTNLPNZEIDYKLC-UHFFFAOYSA-N 1 1 256.733 2.699 20 30 CFEDMO CCC(CC)CNN=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000814906442 632158329 /nfs/dbraw/zinc/15/83/29/632158329.db2.gz VIZCYGUMJMJMJX-IYBDPMFKSA-N 1 1 281.444 2.641 20 30 CFEDMO CC(=[NH+]N[C@@H]1CCOC(C)(C)C1)c1cc(N)ccc1F ZINC000814909440 632159746 /nfs/dbraw/zinc/15/97/46/632159746.db2.gz YBIUJPKBWNPLCC-GFCCVEGCSA-N 1 1 279.359 2.679 20 30 CFEDMO CCC(=[NH+]NCCC(F)(F)F)c1cccc(N)c1 ZINC000814920801 632165261 /nfs/dbraw/zinc/16/52/61/632165261.db2.gz WAZCEKOIHCUNAD-UHFFFAOYSA-N 1 1 259.275 2.925 20 30 CFEDMO C[C@H]1CC(N=Nc2ccc(F)c(F)c2F)C[N@H+]1C ZINC000814945537 632176978 /nfs/dbraw/zinc/17/69/78/632176978.db2.gz DSMWFQFMLGMXSM-ZETCQYMHSA-N 1 1 257.259 2.596 20 30 CFEDMO CCc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)nc1 ZINC000844370121 632182373 /nfs/dbraw/zinc/18/23/73/632182373.db2.gz FYEZQRFJSXUGIT-SFHVURJKSA-N 1 1 295.386 2.681 20 30 CFEDMO CO[C@H](CC(C)C)C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844370181 632182949 /nfs/dbraw/zinc/18/29/49/632182949.db2.gz GFIAMNJUQHCQAU-SJORKVTESA-N 1 1 290.407 2.585 20 30 CFEDMO CC(C)O[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000844380774 632187303 /nfs/dbraw/zinc/18/73/03/632187303.db2.gz ZEKCNQRNEUMIEU-KRWDZBQOSA-N 1 1 288.391 2.978 20 30 CFEDMO C[N@H+](CC(=O)Nc1ccccc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000815014977 632187755 /nfs/dbraw/zinc/18/77/55/632187755.db2.gz APSMNVHGEVVCHU-NEPJUHHUSA-N 1 1 291.782 2.903 20 30 CFEDMO C[N@@H+](CC(=O)Nc1ccccc1Cl)[C@H]1CC[C@@H](C#N)C1 ZINC000815014977 632187756 /nfs/dbraw/zinc/18/77/56/632187756.db2.gz APSMNVHGEVVCHU-NEPJUHHUSA-N 1 1 291.782 2.903 20 30 CFEDMO C#CCNC(=O)CC[N@H+](Cc1ccc(C(C)C)cc1)C1CC1 ZINC000815006984 632187767 /nfs/dbraw/zinc/18/77/67/632187767.db2.gz MMZOMNCXELOTSQ-UHFFFAOYSA-N 1 1 298.430 2.914 20 30 CFEDMO C#CC[N@H+](C[C@@H](O)Cc1ccc(F)cc1)C1CCCC1 ZINC000815061562 632192678 /nfs/dbraw/zinc/19/26/78/632192678.db2.gz ZITRETKVUMMEFD-KRWDZBQOSA-N 1 1 275.367 2.607 20 30 CFEDMO C=CCOCC[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000815066982 632194188 /nfs/dbraw/zinc/19/41/88/632194188.db2.gz MQJAQWWGFZGXEL-IRXDYDNUSA-N 1 1 275.392 2.777 20 30 CFEDMO C[C@H]1CCC[N@H+](CCC#N)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844398423 632195341 /nfs/dbraw/zinc/19/53/41/632195341.db2.gz UAHDTGPCHDRICY-KBPBESRZSA-N 1 1 295.427 2.915 20 30 CFEDMO C[C@H]1CCC[N@@H+](CCC#N)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844398423 632195344 /nfs/dbraw/zinc/19/53/44/632195344.db2.gz UAHDTGPCHDRICY-KBPBESRZSA-N 1 1 295.427 2.915 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000844426652 632207143 /nfs/dbraw/zinc/20/71/43/632207143.db2.gz ZJUCZVSXNUOMGD-ZIAGYGMSSA-N 1 1 296.411 2.501 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000844468778 632223635 /nfs/dbraw/zinc/22/36/35/632223635.db2.gz MMRFTZGFQFGQQN-OLZOCXBDSA-N 1 1 276.355 2.716 20 30 CFEDMO N#Cc1cccc2c1C[N@H+](CCCCCCCO)C2 ZINC000844476941 632227010 /nfs/dbraw/zinc/22/70/10/632227010.db2.gz IYXSTZAJWZQEMS-UHFFFAOYSA-N 1 1 258.365 2.817 20 30 CFEDMO N#Cc1cccc2c1C[N@@H+](CCCCCCCO)C2 ZINC000844476941 632227011 /nfs/dbraw/zinc/22/70/11/632227011.db2.gz IYXSTZAJWZQEMS-UHFFFAOYSA-N 1 1 258.365 2.817 20 30 CFEDMO C=C[C@@H](C)O[NH+]=C(C)c1ccc(N2CCOCC2)c(F)c1 ZINC000844623745 632267930 /nfs/dbraw/zinc/26/79/30/632267930.db2.gz IFSTUQNELKQMHA-GFCCVEGCSA-N 1 1 292.354 2.977 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@H](C)c1cc(Cl)ccc1OC ZINC000815652445 632307146 /nfs/dbraw/zinc/30/71/46/632307146.db2.gz CQHYQKARJORBCU-CYBMUJFWSA-N 1 1 294.826 2.954 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@H](C)c1cc(Cl)ccc1OC ZINC000815652445 632307152 /nfs/dbraw/zinc/30/71/52/632307152.db2.gz CQHYQKARJORBCU-CYBMUJFWSA-N 1 1 294.826 2.954 20 30 CFEDMO C=CCC(F)(F)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000815848155 632326112 /nfs/dbraw/zinc/32/61/12/632326112.db2.gz IYWMQSDNMWUEOA-OCCSQVGLSA-N 1 1 298.377 2.673 20 30 CFEDMO C=CCC(F)(F)C(=O)OC[C@H]1CCC[N@@H+]1Cc1ccco1 ZINC000815993802 632349804 /nfs/dbraw/zinc/34/98/04/632349804.db2.gz DTGUUKLYACXLRG-GFCCVEGCSA-N 1 1 299.317 2.999 20 30 CFEDMO C=CCC(F)(F)C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000815993802 632349809 /nfs/dbraw/zinc/34/98/09/632349809.db2.gz DTGUUKLYACXLRG-GFCCVEGCSA-N 1 1 299.317 2.999 20 30 CFEDMO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000816506327 632473913 /nfs/dbraw/zinc/47/39/13/632473913.db2.gz YDHYFUIZPIKOLN-CQSZACIVSA-N 1 1 297.443 2.510 20 30 CFEDMO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000816506327 632473915 /nfs/dbraw/zinc/47/39/15/632473915.db2.gz YDHYFUIZPIKOLN-CQSZACIVSA-N 1 1 297.443 2.510 20 30 CFEDMO C=C[C@H](C)ONC(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000845631300 632493886 /nfs/dbraw/zinc/49/38/86/632493886.db2.gz BSYZJOGOUDDDSW-KBPBESRZSA-N 1 1 297.443 2.692 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000816642048 632499597 /nfs/dbraw/zinc/49/95/97/632499597.db2.gz NSCHFPNIXZFART-LJQANCHMSA-N 1 1 298.430 2.616 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000816642048 632499600 /nfs/dbraw/zinc/49/96/00/632499600.db2.gz NSCHFPNIXZFART-LJQANCHMSA-N 1 1 298.430 2.616 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000816642048 632499605 /nfs/dbraw/zinc/49/96/05/632499605.db2.gz NSCHFPNIXZFART-LJQANCHMSA-N 1 1 298.430 2.616 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000816642048 632499609 /nfs/dbraw/zinc/49/96/09/632499609.db2.gz NSCHFPNIXZFART-LJQANCHMSA-N 1 1 298.430 2.616 20 30 CFEDMO C=C[C@H](C)ONC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000845642409 632500586 /nfs/dbraw/zinc/50/05/86/632500586.db2.gz QRQQGYQRMHZMGH-MJBXVCDLSA-N 1 1 297.443 2.548 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)C#Cc1ccc(CC)cc1 ZINC000816654521 632505983 /nfs/dbraw/zinc/50/59/83/632505983.db2.gz LYDHVADRTSLGIJ-SFHVURJKSA-N 1 1 298.430 2.591 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@H]1COC(=O)c1cc(C#N)cs1 ZINC000845741147 632546857 /nfs/dbraw/zinc/54/68/57/632546857.db2.gz SQUCUHTUVDUNLC-NSHDSACASA-N 1 1 278.377 2.649 20 30 CFEDMO C=C(C)CC[C@@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000845865962 632586303 /nfs/dbraw/zinc/58/63/03/632586303.db2.gz FCNVDVOHLQERFY-CHWSQXEVSA-N 1 1 271.426 2.712 20 30 CFEDMO C=C(C)CC[C@@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000845865962 632586309 /nfs/dbraw/zinc/58/63/09/632586309.db2.gz FCNVDVOHLQERFY-CHWSQXEVSA-N 1 1 271.426 2.712 20 30 CFEDMO C#CCCC[N@@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000817279851 632593044 /nfs/dbraw/zinc/59/30/44/632593044.db2.gz VAFBPQDCLZTFAX-KGLIPLIRSA-N 1 1 265.397 2.842 20 30 CFEDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000817286372 632595637 /nfs/dbraw/zinc/59/56/37/632595637.db2.gz TWTIYTRENVJURB-RISCZKNCSA-N 1 1 294.782 2.588 20 30 CFEDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000817286372 632595639 /nfs/dbraw/zinc/59/56/39/632595639.db2.gz TWTIYTRENVJURB-RISCZKNCSA-N 1 1 294.782 2.588 20 30 CFEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000846004794 632611870 /nfs/dbraw/zinc/61/18/70/632611870.db2.gz WBMJADKCHBZEJV-MRXNPFEDSA-N 1 1 297.383 2.657 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H](F)C2)cc1 ZINC000846121429 632640341 /nfs/dbraw/zinc/64/03/41/632640341.db2.gz ZONAXNGJWQEGJO-JSGCOSHPSA-N 1 1 262.328 2.911 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](F)C2)cc1 ZINC000846121429 632640344 /nfs/dbraw/zinc/64/03/44/632640344.db2.gz ZONAXNGJWQEGJO-JSGCOSHPSA-N 1 1 262.328 2.911 20 30 CFEDMO CCCC[C@@H](ON=C(C)C)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000817676292 632684112 /nfs/dbraw/zinc/68/41/12/632684112.db2.gz CWGQSWHNQKEQJZ-LSDHHAIUSA-N 1 1 297.443 2.510 20 30 CFEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@H](CN)CCCC)cc1 ZINC000817962161 632762217 /nfs/dbraw/zinc/76/22/17/632762217.db2.gz GQBXKOMGJKCBAB-ZBFHGGJFSA-N 1 1 274.408 2.867 20 30 CFEDMO C#CCOc1ccc([C@@H](C)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000817981504 632778103 /nfs/dbraw/zinc/77/81/03/632778103.db2.gz LFTHRZKXUVZERC-KDOFPFPSSA-N 1 1 286.419 2.867 20 30 CFEDMO Cc1cc(C#N)ccc1N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000846753750 632786543 /nfs/dbraw/zinc/78/65/43/632786543.db2.gz VDIKCWWKFOEGFH-JSGCOSHPSA-N 1 1 255.365 2.904 20 30 CFEDMO C#CC[N@H+](CCCC(=O)NCCC)[C@@H]1CCc2ccccc21 ZINC000846780277 632796150 /nfs/dbraw/zinc/79/61/50/632796150.db2.gz QUMVIUGWIRZDBF-GOSISDBHSA-N 1 1 298.430 2.916 20 30 CFEDMO C#CC[N@@H+](C[C@H]1CN(c2ccccc2)CCO1)C1CCCC1 ZINC000846815549 632808935 /nfs/dbraw/zinc/80/89/35/632808935.db2.gz ODXHWYSFPMHTHS-IBGZPJMESA-N 1 1 298.430 2.770 20 30 CFEDMO CC(=O)C1CC[NH+](CC#Cc2cccc(Cl)c2)CC1 ZINC000846946107 632855694 /nfs/dbraw/zinc/85/56/94/632855694.db2.gz GQQGJIYEABIMBJ-UHFFFAOYSA-N 1 1 275.779 2.993 20 30 CFEDMO C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)[C@H](C)CN1C ZINC000930163258 635831902 /nfs/dbraw/zinc/83/19/02/635831902.db2.gz RWSVCAKJCCSBBW-HUUCEWRRSA-N 1 1 263.429 2.875 20 30 CFEDMO C[C@@H]1C[N@H+](C)[C@H](C)CN1CCCCC1(C#N)CCC1 ZINC000930163258 635831904 /nfs/dbraw/zinc/83/19/04/635831904.db2.gz RWSVCAKJCCSBBW-HUUCEWRRSA-N 1 1 263.429 2.875 20 30 CFEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1CCCCC1(C#N)CCC1 ZINC000930163258 635831909 /nfs/dbraw/zinc/83/19/09/635831909.db2.gz RWSVCAKJCCSBBW-HUUCEWRRSA-N 1 1 263.429 2.875 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]C[C@@H](O)c1ccccc1Br ZINC000846985777 632869669 /nfs/dbraw/zinc/86/96/69/632869669.db2.gz GYORJEMWKTWBAA-GXFFZTMASA-N 1 1 297.196 2.764 20 30 CFEDMO CCc1ccc(C#CC(=O)N2CCC[N@H+](C)C[C@@H]2CC)cc1 ZINC000846989814 632870266 /nfs/dbraw/zinc/87/02/66/632870266.db2.gz VTMREJAFKFQJPA-SFHVURJKSA-N 1 1 298.430 2.543 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000846993602 632872889 /nfs/dbraw/zinc/87/28/89/632872889.db2.gz OXLFXAWRZPAUNF-MRXNPFEDSA-N 1 1 285.391 2.704 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)C[C@@H](C)C1CCCCC1 ZINC000818599272 632876660 /nfs/dbraw/zinc/87/66/60/632876660.db2.gz HOTFUDHUITZOEP-OAHLLOKOSA-N 1 1 278.440 2.664 20 30 CFEDMO C#C[C@H]1CCC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000847017512 632882984 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C#CCOC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000111677392 635136865 /nfs/dbraw/zinc/13/68/65/635136865.db2.gz BRVOFEXJISQHEZ-OAHLLOKOSA-N 1 1 285.387 2.506 20 30 CFEDMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C#CC1CC1 ZINC000854515287 635322421 /nfs/dbraw/zinc/32/24/21/635322421.db2.gz SIHIXBULPHNXTK-SJLPKXTDSA-N 1 1 294.398 2.543 20 30 CFEDMO CCCCCCCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)C1 ZINC000854730867 635380189 /nfs/dbraw/zinc/38/01/89/635380189.db2.gz RRVCJFILJKCPCV-MRXNPFEDSA-N 1 1 296.455 2.670 20 30 CFEDMO CCCCCCCC(=O)N1CCC[C@H]([NH+]2CCOCC2)C1 ZINC000854730866 635380695 /nfs/dbraw/zinc/38/06/95/635380695.db2.gz RRVCJFILJKCPCV-INIZCTEOSA-N 1 1 296.455 2.670 20 30 CFEDMO CCCCCC[N@@H+](C)CC(=O)N1CCc2cc(C#N)ccc21 ZINC000854943271 635426557 /nfs/dbraw/zinc/42/65/57/635426557.db2.gz GRNXMLXLIDEJPF-UHFFFAOYSA-N 1 1 299.418 2.959 20 30 CFEDMO C#CCCCCCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000855160989 635472569 /nfs/dbraw/zinc/47/25/69/635472569.db2.gz IKJPHUVDDPRWNF-OAHLLOKOSA-N 1 1 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C=C(C)CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857185803 635942681 /nfs/dbraw/zinc/94/26/81/635942681.db2.gz ZSUJLFNBJKHVJR-MRXNPFEDSA-N 1 1 272.392 2.802 20 30 CFEDMO C#C[C@@H](CC)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857192052 635943868 /nfs/dbraw/zinc/94/38/68/635943868.db2.gz ZARCTOKNXQQLDQ-SJORKVTESA-N 1 1 284.403 2.637 20 30 CFEDMO C[N@H+]1CCC[C@H](c2cccc(C(=O)NCC3(C#N)CC3)c2)C1 ZINC000857200187 635944772 /nfs/dbraw/zinc/94/47/72/635944772.db2.gz JBSHWAQTSSWSLI-INIZCTEOSA-N 1 1 297.402 2.529 20 30 CFEDMO Clc1cnc(N=NC2CCC[N@H+]3CCCC[C@@H]23)nc1 ZINC000857220149 635949909 /nfs/dbraw/zinc/94/99/09/635949909.db2.gz COCKKYLQZHKBBC-LBPRGKRZSA-N 1 1 279.775 2.546 20 30 CFEDMO CCCCCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000858111241 636129517 /nfs/dbraw/zinc/12/95/17/636129517.db2.gz YESCRJPTNOQBMQ-KGLIPLIRSA-N 1 1 269.433 2.739 20 30 CFEDMO C=CC[N@H+](CC(=O)N(CCC)CC(F)(F)F)C(C)C ZINC000859082439 636446003 /nfs/dbraw/zinc/44/60/03/636446003.db2.gz 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KCROKTMTHIFSMP-SNVBAGLBSA-N 1 1 253.267 2.949 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2F)C1 ZINC000862447239 637387541 /nfs/dbraw/zinc/38/75/41/637387541.db2.gz KCROKTMTHIFSMP-SNVBAGLBSA-N 1 1 253.267 2.949 20 30 CFEDMO C[N@H+]1CCC(N=Nc2ccnc3ccccc23)CC1(C)C ZINC000863090988 637552416 /nfs/dbraw/zinc/55/24/16/637552416.db2.gz IQQAGLZHIJKAEA-UHFFFAOYSA-N 1 1 282.391 2.929 20 30 CFEDMO CN(C)c1cc(F)c(C=[NH+]N[C@H]2CCOC2(C)C)cc1F ZINC000863117854 637562495 /nfs/dbraw/zinc/56/24/95/637562495.db2.gz FTMUKZODBACDSK-AWEZNQCLSA-N 1 1 297.349 2.522 20 30 CFEDMO CC(C[C@@H]1CCCN1C(=O)OC(C)(C)C)=[NH+]n1cccn1 ZINC000863164185 637576924 /nfs/dbraw/zinc/57/69/24/637576924.db2.gz DHOFLFOPBWMQPO-ZDUSSCGKSA-N 1 1 292.383 2.897 20 30 CFEDMO c1cnn(N=C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000863164423 637577568 /nfs/dbraw/zinc/57/75/68/637577568.db2.gz JMTLEGAZFAIYKQ-CALCHBBNSA-N 1 1 280.375 2.914 20 30 CFEDMO C[N@H+]1CCCC(=NNCCCOCc2ccccc2)CC1 ZINC000863178269 637579629 /nfs/dbraw/zinc/57/96/29/637579629.db2.gz JNWMACPCCCUVRI-UHFFFAOYSA-N 1 1 289.423 2.655 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1Cc2cc(OC)ccc2C1=O ZINC000863269467 637610878 /nfs/dbraw/zinc/61/08/78/637610878.db2.gz DODPTTQHWWHHCE-GASCZTMLSA-N 1 1 298.386 2.792 20 30 CFEDMO C/C=C/C[C@H]1CCC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000863340635 637630964 /nfs/dbraw/zinc/63/09/64/637630964.db2.gz MGYLUKCNSTTXOC-BWPKMQGJSA-N 1 1 285.391 2.664 20 30 CFEDMO C/C=C/C[C@H]1CCC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000863340635 637630968 /nfs/dbraw/zinc/63/09/68/637630968.db2.gz MGYLUKCNSTTXOC-BWPKMQGJSA-N 1 1 285.391 2.664 20 30 CFEDMO CCCCC(N)=[NH+]OCCOCC(F)(F)C(F)(F)F ZINC000189255880 650370347 /nfs/dbraw/zinc/37/03/47/650370347.db2.gz ICYHEXPMARUKST-UHFFFAOYSA-N 1 1 292.248 2.680 20 30 CFEDMO C#CCCCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000119901459 637908547 /nfs/dbraw/zinc/90/85/47/637908547.db2.gz GNROULZIGMPVRR-OAHLLOKOSA-N 1 1 293.455 2.600 20 30 CFEDMO C#CC[N@H+](Cc1ccc(C(=O)OC)s1)C1CCCC1 ZINC000119970047 637944796 /nfs/dbraw/zinc/94/47/96/637944796.db2.gz QRZIWZGNTUFHIX-UHFFFAOYSA-N 1 1 277.389 2.913 20 30 CFEDMO COc1cccc(O)c1/C=N/C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000864346611 637946825 /nfs/dbraw/zinc/94/68/25/637946825.db2.gz XUNFVTMFZMUUSI-QCUKBLKESA-N 1 1 288.391 2.837 20 30 CFEDMO C=CC[NH+]1CCC(NCc2cc(F)cc(OCC)c2)CC1 ZINC000865454115 638346041 /nfs/dbraw/zinc/34/60/41/638346041.db2.gz PYFVCCJFPLOAOD-UHFFFAOYSA-N 1 1 292.398 2.964 20 30 CFEDMO C[C@H](CNc1cc(C(F)(F)F)cc(C#N)n1)[N@@H+](C)C1CC1 ZINC000865504178 638383314 /nfs/dbraw/zinc/38/33/14/638383314.db2.gz FEHLLFVDFFTRIK-SECBINFHSA-N 1 1 298.312 2.867 20 30 CFEDMO C[C@@H]1C[C@@H](Nc2cc(C(F)(F)F)cc(C#N)n2)CC[N@H+]1C ZINC000865558523 638421620 /nfs/dbraw/zinc/42/16/20/638421620.db2.gz RYQCDDGTTZPNBR-KOLCDFICSA-N 1 1 298.312 2.867 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ccc(C#N)nc1 ZINC000866193690 638767118 /nfs/dbraw/zinc/76/71/18/638767118.db2.gz DXDIFHHTQGHKSR-INIZCTEOSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ccc(C#N)nc1 ZINC000866193690 638767120 /nfs/dbraw/zinc/76/71/20/638767120.db2.gz DXDIFHHTQGHKSR-INIZCTEOSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3c(C#N)cnc4ccccc43)CC[C@@H]21 ZINC000866204892 638770060 /nfs/dbraw/zinc/77/00/60/638770060.db2.gz HKGILXSOGLKMFB-GUYCJALGSA-N 1 1 292.386 2.637 20 30 CFEDMO Cc1nc(N[C@H]2Cc3ccc(C#N)cc3C2)c(C)c(C)[nH+]1 ZINC000866259106 638782019 /nfs/dbraw/zinc/78/20/19/638782019.db2.gz HQZIHVIYXMEAGY-INIZCTEOSA-N 1 1 278.359 2.853 20 30 CFEDMO Cc1cc(N[C@H]2Cc3ccc(C#N)cc3C2)nc(C)[nH+]1 ZINC000866261164 638783200 /nfs/dbraw/zinc/78/32/00/638783200.db2.gz QKHXPJFAIUEYLJ-HNNXBMFYSA-N 1 1 264.332 2.544 20 30 CFEDMO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cn1 ZINC000866372899 638808200 /nfs/dbraw/zinc/80/82/00/638808200.db2.gz WJOGNVVHSGBPEM-VXGBXAGGSA-N 1 1 284.363 2.892 20 30 CFEDMO N#C[C@H]1CC[C@@H]([NH+]2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000866593114 638850633 /nfs/dbraw/zinc/85/06/33/638850633.db2.gz ZLNPASRFUWKWTG-GXTWGEPZSA-N 1 1 291.345 2.779 20 30 CFEDMO N#CCCCC[N@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000121867637 638900522 /nfs/dbraw/zinc/90/05/22/638900522.db2.gz UGBAREPTZTVMHO-KBPBESRZSA-N 1 1 294.420 2.566 20 30 CFEDMO N#CCCCC[N@@H+]1CCOC[C@@H]1C[C@H](O)c1cccs1 ZINC000121867637 638900523 /nfs/dbraw/zinc/90/05/23/638900523.db2.gz UGBAREPTZTVMHO-KBPBESRZSA-N 1 1 294.420 2.566 20 30 CFEDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)C1(C#N)CC2(CC2)C1 ZINC000869614185 639324122 /nfs/dbraw/zinc/32/41/22/639324122.db2.gz RNXMWCDJXRTIAT-AWEZNQCLSA-N 1 1 290.407 2.876 20 30 CFEDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1coc(C#N)c1 ZINC000870007529 639496750 /nfs/dbraw/zinc/49/67/50/639496750.db2.gz RSRDAQRKRGWQKC-ZDUSSCGKSA-N 1 1 276.336 2.571 20 30 CFEDMO CC#CC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000870009650 639497240 /nfs/dbraw/zinc/49/72/40/639497240.db2.gz QMNWFJVZHNESED-KRWDZBQOSA-N 1 1 284.403 2.571 20 30 CFEDMO C#CCC(C)(C)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000870121298 639522046 /nfs/dbraw/zinc/52/20/46/639522046.db2.gz BOJBZYDIVNHULT-INIZCTEOSA-N 1 1 298.430 2.941 20 30 CFEDMO C#CC[N@H+](C[C@@H](O)CCC=C)[C@@H]1CCc2ccccc21 ZINC000122988980 639538246 /nfs/dbraw/zinc/53/82/46/639538246.db2.gz CXRGQRCVQIRPFV-FUHWJXTLSA-N 1 1 269.388 2.936 20 30 CFEDMO C#CCCCC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000192171337 650544873 /nfs/dbraw/zinc/54/48/73/650544873.db2.gz QJHVBYMNBMQGGV-GJZGRUSLSA-N 1 1 276.424 2.559 20 30 CFEDMO C#CC[N@H+](C)Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000192229127 650549819 /nfs/dbraw/zinc/54/98/19/650549819.db2.gz FAYQOLIEEJYWGX-UHFFFAOYSA-N 1 1 259.349 2.707 20 30 CFEDMO C[C@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1ccc(C#N)cc1 ZINC000870786921 641070462 /nfs/dbraw/zinc/07/04/62/641070462.db2.gz BWOAIBLUTZKCMT-CZUORRHYSA-N 1 1 286.375 2.978 20 30 CFEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)CCc1ccccn1 ZINC000193229810 650635297 /nfs/dbraw/zinc/63/52/97/650635297.db2.gz ZVORAIREZLZMNY-UHFFFAOYSA-N 1 1 295.386 2.897 20 30 CFEDMO C#CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000871187432 641235790 /nfs/dbraw/zinc/23/57/90/641235790.db2.gz FDFXLYIBFSTKLO-QGZVFWFLSA-N 1 1 298.430 2.735 20 30 CFEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000871188252 641236260 /nfs/dbraw/zinc/23/62/60/641236260.db2.gz NFIVNYTYGMCVEI-SFHVURJKSA-N 1 1 298.430 2.879 20 30 CFEDMO CN(C)c1ccc(C[NH+]2CCC(C#N)CC2)cc1F ZINC000123698833 641361782 /nfs/dbraw/zinc/36/17/82/641361782.db2.gz PDSHBEVLQWGSRR-UHFFFAOYSA-N 1 1 261.344 2.627 20 30 CFEDMO C=CCN1CCC([NH2+][C@@H](C)c2cccc(O)c2F)CC1 ZINC000872034679 641566352 /nfs/dbraw/zinc/56/63/52/641566352.db2.gz QOMNIFSYTZYSRX-LBPRGKRZSA-N 1 1 278.371 2.832 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2csc(C)n2)no1 ZINC000872172302 641691740 /nfs/dbraw/zinc/69/17/40/641691740.db2.gz CYQPJQPRRMHINQ-SECBINFHSA-N 1 1 284.772 2.568 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(C)nc2)no1 ZINC000872173115 641691775 /nfs/dbraw/zinc/69/17/75/641691775.db2.gz KSLWHKQUJXQBOS-SNVBAGLBSA-N 1 1 264.716 2.582 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccncc2CC)no1 ZINC000872175229 641693500 /nfs/dbraw/zinc/69/35/00/641693500.db2.gz KBPNZHDLBWAOSB-NSHDSACASA-N 1 1 278.743 2.836 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CCCOC(C)C)no1 ZINC000872174726 641693593 /nfs/dbraw/zinc/69/35/93/641693593.db2.gz FXVKMUJGPNDWHE-JTQLQIEISA-N 1 1 273.764 2.570 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ncccc2SC)no1 ZINC000872179380 641696086 /nfs/dbraw/zinc/69/60/86/641696086.db2.gz ASBCCDAJTYTEPY-MRVPVSSYSA-N 1 1 296.783 2.996 20 30 CFEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1cc2cnccc2o1 ZINC000872240427 641713476 /nfs/dbraw/zinc/71/34/76/641713476.db2.gz QIGVOUKFSXJDCJ-NEPJUHHUSA-N 1 1 268.320 2.922 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872319937 641755208 /nfs/dbraw/zinc/75/52/08/641755208.db2.gz UEABWTPLNPFNIP-AWEZNQCLSA-N 1 1 292.386 2.966 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872319937 641755212 /nfs/dbraw/zinc/75/52/12/641755212.db2.gz UEABWTPLNPFNIP-AWEZNQCLSA-N 1 1 292.386 2.966 20 30 CFEDMO C[C@@H]1C(N=Nc2ccc(C(F)(F)F)cn2)CC[N@H+]1C ZINC000872327814 641757227 /nfs/dbraw/zinc/75/72/27/641757227.db2.gz KXSVMRPIKHZYDJ-MRVPVSSYSA-N 1 1 272.274 2.592 20 30 CFEDMO COc1ccc(N=NC2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000872359389 641767428 /nfs/dbraw/zinc/76/74/28/641767428.db2.gz CAQPXKYQZBLZLC-OAHLLOKOSA-N 1 1 291.420 2.674 20 30 CFEDMO COc1ccc(N=NC2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000872359389 641767430 /nfs/dbraw/zinc/76/74/30/641767430.db2.gz CAQPXKYQZBLZLC-OAHLLOKOSA-N 1 1 291.420 2.674 20 30 CFEDMO CC(C)(C)c1csc(C=NNc2cc[nH+]cc2)n1 ZINC000872363838 641770269 /nfs/dbraw/zinc/77/02/69/641770269.db2.gz SVVZJGSWEAKKHF-UHFFFAOYSA-N 1 1 260.366 2.704 20 30 CFEDMO C[C@H]1C(N=Nc2nnc(-c3ccccc3)s2)CC[N@@H+]1C ZINC000872378856 641781552 /nfs/dbraw/zinc/78/15/52/641781552.db2.gz RZAKQZUNIWWWPA-JTQLQIEISA-N 1 1 287.392 2.697 20 30 CFEDMO C[C@H]1C(N=Nc2nnc(-c3ccccc3)s2)CC[N@H+]1C ZINC000872378856 641781558 /nfs/dbraw/zinc/78/15/58/641781558.db2.gz RZAKQZUNIWWWPA-JTQLQIEISA-N 1 1 287.392 2.697 20 30 CFEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)C=NN1CCC1 ZINC000872396465 641790734 /nfs/dbraw/zinc/79/07/34/641790734.db2.gz IPSVGWMCNWMCGJ-UHFFFAOYSA-N 1 1 259.397 2.836 20 30 CFEDMO Clc1cccc(N2CCCC2)c1C=[NH+]N1CCC1 ZINC000872396545 641791224 /nfs/dbraw/zinc/79/12/24/641791224.db2.gz DOYMYPRIWAIXLI-UHFFFAOYSA-N 1 1 263.772 2.980 20 30 CFEDMO Cc1c(Cl)cnc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1C#N ZINC000872779066 641934028 /nfs/dbraw/zinc/93/40/28/641934028.db2.gz DQMCVJQENNIQON-KGLIPLIRSA-N 1 1 290.798 2.588 20 30 CFEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccnn2C)cc1 ZINC000083536518 650765008 /nfs/dbraw/zinc/76/50/08/650765008.db2.gz JQSCXJQWUDCTSY-BQYQJAHWSA-N 1 1 292.342 2.810 20 30 CFEDMO C#C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000874861142 642532444 /nfs/dbraw/zinc/53/24/44/642532444.db2.gz HPMPESVCUMWEEX-BFYDXBDKSA-N 1 1 288.435 2.702 20 30 CFEDMO C#C[C@H]1CC[C@H](NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000874864350 642535713 /nfs/dbraw/zinc/53/57/13/642535713.db2.gz ADLVVNKMVOVZCL-YIDVYQOGSA-N 1 1 276.424 2.556 20 30 CFEDMO C[N@@H+](CCCCC#N)CCCNC(=O)OC(C)(C)C ZINC000125227671 642564387 /nfs/dbraw/zinc/56/43/87/642564387.db2.gz WJHURTMVWNZUSZ-UHFFFAOYSA-N 1 1 269.389 2.527 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000875463965 642626751 /nfs/dbraw/zinc/62/67/51/642626751.db2.gz ZSQVGGKZEBLSCC-AWEZNQCLSA-N 1 1 281.444 2.857 20 30 CFEDMO C=C[C@H](C)ONC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000875699907 642669024 /nfs/dbraw/zinc/66/90/24/642669024.db2.gz BVDKBPSMSSVLKC-DZGCQCFKSA-N 1 1 295.427 2.589 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000876320142 642822502 /nfs/dbraw/zinc/82/25/02/642822502.db2.gz BPAUKCOPXZBZFE-GJZGRUSLSA-N 1 1 295.471 2.960 20 30 CFEDMO C#CCCCCCC[N@H+](CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000876535335 642909546 /nfs/dbraw/zinc/90/95/46/642909546.db2.gz NGGUUTSKXQRVFS-INIZCTEOSA-N 1 1 299.480 2.859 20 30 CFEDMO C#CCCCCCC[NH+]1CCC(CN2CCOCC2)CC1 ZINC000876577201 642931492 /nfs/dbraw/zinc/93/14/92/642931492.db2.gz XHLRIVKZAXSNNR-UHFFFAOYSA-N 1 1 292.467 2.614 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000876584036 642934400 /nfs/dbraw/zinc/93/44/00/642934400.db2.gz SSMHERNUJXUGJX-KRWDZBQOSA-N 1 1 290.451 2.808 20 30 CFEDMO C=CC[N@H+](Cc1ccc(C(=O)OCC)[nH]1)C(C)C ZINC000876600066 642941134 /nfs/dbraw/zinc/94/11/34/642941134.db2.gz MTHGOTDKAGISIY-UHFFFAOYSA-N 1 1 250.342 2.588 20 30 CFEDMO C#CCCCCCC[N@H+](CC(N)=O)Cc1ccccc1 ZINC000876727301 642984483 /nfs/dbraw/zinc/98/44/83/642984483.db2.gz IKOLEUQXEGAGQL-UHFFFAOYSA-N 1 1 272.392 2.558 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCSC[C@H]1CC(=O)OC ZINC000876758582 642997218 /nfs/dbraw/zinc/99/72/18/642997218.db2.gz KMDAAQYFJDBMQB-CQSZACIVSA-N 1 1 283.437 2.551 20 30 CFEDMO C[C@H]1C[C@@H](N(C)Cc2cc(C#N)cnc2Cl)CC[N@H+]1C ZINC000876764616 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/nfs/dbraw/zinc/62/39/35/645623935.db2.gz VOJVYDAVEJGKEV-UHFFFAOYSA-N 1 1 254.280 2.700 20 30 CFEDMO C=CCC[C@@H]([NH2+]Cc1ccn[nH]1)[C@@H]1Cc2ccccc2O1 ZINC000883187421 645649450 /nfs/dbraw/zinc/64/94/50/645649450.db2.gz NQPVETDQUOMPJK-WBVHZDCISA-N 1 1 283.375 2.838 20 30 CFEDMO C=CCCC[C@@H](NC[C@H](O)C[NH+](C)C)c1ccccc1 ZINC000883186886 645649516 /nfs/dbraw/zinc/64/95/16/645649516.db2.gz BICJMDIVFLCFIE-DLBZAZTESA-N 1 1 276.424 2.596 20 30 CFEDMO C=CCC[C@@H]([NH2+]C1CCN(C(C)C)CC1)[C@H]1CCCO1 ZINC000883199841 645659522 /nfs/dbraw/zinc/65/95/22/645659522.db2.gz QJXNTYDWVSPACD-IAGOWNOFSA-N 1 1 280.456 2.963 20 30 CFEDMO CCN1CCCC[C@H]1CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000304754349 651032491 /nfs/dbraw/zinc/03/24/91/651032491.db2.gz LUYDRXZBUICDQS-INIZCTEOSA-N 1 1 288.439 2.904 20 30 CFEDMO Cc1ccc(NC(=[NH2+])NCCN(C)C2CCCC2)cc1C ZINC000304758445 651032818 /nfs/dbraw/zinc/03/28/18/651032818.db2.gz QADMZPBAJGFWLG-UHFFFAOYSA-N 1 1 288.439 2.904 20 30 CFEDMO CCN1CCCC[C@@H]1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000304759702 651033129 /nfs/dbraw/zinc/03/31/29/651033129.db2.gz RNDXGLKZGNAZCU-OAHLLOKOSA-N 1 1 274.412 2.596 20 30 CFEDMO CCC(CC)[C@@H](CNC(=[NH2+])N1CCCCCC1)N(C)C ZINC000305063422 651043946 /nfs/dbraw/zinc/04/39/46/651043946.db2.gz LZPHGXCUOJNKLT-OAHLLOKOSA-N 1 1 282.476 2.544 20 30 CFEDMO C=C(Cl)CNC(=O)[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884143163 646236636 /nfs/dbraw/zinc/23/66/36/646236636.db2.gz YZCGWBVNEKQKRZ-JTQLQIEISA-N 1 1 292.688 2.574 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H](Nc2cccc(F)c2C(C)=O)C1 ZINC000884613342 646486376 /nfs/dbraw/zinc/48/63/76/646486376.db2.gz KGMCXSRDAXJUBK-CYBMUJFWSA-N 1 1 274.339 2.538 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](Nc2cccc(F)c2C(C)=O)C1 ZINC000884613342 646486379 /nfs/dbraw/zinc/48/63/79/646486379.db2.gz KGMCXSRDAXJUBK-CYBMUJFWSA-N 1 1 274.339 2.538 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H](Nc2ccnc(C(F)(F)F)c2)C1 ZINC000884611967 646486834 /nfs/dbraw/zinc/48/68/34/646486834.db2.gz ZZWJZWAMBNKURB-LBPRGKRZSA-N 1 1 283.297 2.610 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](Nc2ncnc3scc(C)c32)C1 ZINC000884611511 646486940 /nfs/dbraw/zinc/48/69/40/646486940.db2.gz NUFBUVZMTOWBGA-GFCCVEGCSA-N 1 1 286.404 2.509 20 30 CFEDMO C#Cc1ccc(NC(=O)C[C@@H]2CC[N@H+](C)C2)c(Cl)c1 ZINC000885669305 646732458 /nfs/dbraw/zinc/73/24/58/646732458.db2.gz BXGIGZZFPFTVBN-LBPRGKRZSA-N 1 1 276.767 2.602 20 30 CFEDMO CCc1nc(C[N@H+](C)C[C@H](O)CC2(C#N)CCC2)cs1 ZINC000885964894 646787134 /nfs/dbraw/zinc/78/71/34/646787134.db2.gz GOIVVZLCYZUCLN-CYBMUJFWSA-N 1 1 293.436 2.582 20 30 CFEDMO CCc1nc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)cs1 ZINC000885964894 646787138 /nfs/dbraw/zinc/78/71/38/646787138.db2.gz GOIVVZLCYZUCLN-CYBMUJFWSA-N 1 1 293.436 2.582 20 30 CFEDMO C[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885967187 646788164 /nfs/dbraw/zinc/78/81/64/646788164.db2.gz JPDXCPCGRRORSC-ZIAGYGMSSA-N 1 1 250.386 2.553 20 30 CFEDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)CC2(C#N)CCC2)s1 ZINC000885983265 646795559 /nfs/dbraw/zinc/79/55/59/646795559.db2.gz BGXIJQHFUGCXNR-ZDUSSCGKSA-N 1 1 278.421 2.933 20 30 CFEDMO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2C2CCC2)CCC1 ZINC000885983682 646795896 /nfs/dbraw/zinc/79/58/96/646795896.db2.gz MINJSOJSSDIETF-LSDHHAIUSA-N 1 1 262.397 2.696 20 30 CFEDMO CC[C@@H]1C[C@@H](C)C[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886027075 646826740 /nfs/dbraw/zinc/82/67/40/646826740.db2.gz BXWICFIKMDKAMS-MCIONIFRSA-N 1 1 250.386 2.552 20 30 CFEDMO CC[C@]1(C)CC[N@@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886039886 646836183 /nfs/dbraw/zinc/83/61/83/646836183.db2.gz RHPFWFUPWVQWCO-UONOGXRCSA-N 1 1 250.386 2.553 20 30 CFEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2c2cccnc2)CCC1 ZINC000886089947 646862333 /nfs/dbraw/zinc/86/23/33/646862333.db2.gz NHPDUMGQGBRYOK-CVEARBPZSA-N 1 1 285.391 2.663 20 30 CFEDMO C[C@@H](c1ccncc1)[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886091586 646863921 /nfs/dbraw/zinc/86/39/21/646863921.db2.gz DHYVFYUEVJXDHR-ZFWWWQNUSA-N 1 1 273.380 2.519 20 30 CFEDMO N#CC1(C[C@H](O)C[N@H+](CC(F)F)CC2CCC2)CCC1 ZINC000886094359 646864906 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C[N@@H+](CCOC1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000886307191 646961760 /nfs/dbraw/zinc/96/17/60/646961760.db2.gz LQHHMTIGZNSBJT-DZGCQCFKSA-N 1 1 250.386 2.960 20 30 CFEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000886353394 646982973 /nfs/dbraw/zinc/98/29/73/646982973.db2.gz ILAMAVWNMKLWAS-XUWVNRHRSA-N 1 1 276.424 2.510 20 30 CFEDMO C#CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)C1 ZINC000886355862 646983932 /nfs/dbraw/zinc/98/39/32/646983932.db2.gz OUGVNCMJNIKGSA-RYUDHWBXSA-N 1 1 292.329 2.637 20 30 CFEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2F)C1 ZINC000886355019 646984604 /nfs/dbraw/zinc/98/46/04/646984604.db2.gz AWFVOYVJRNGPGM-UONOGXRCSA-N 1 1 288.366 2.806 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000886356243 646985095 /nfs/dbraw/zinc/98/50/95/646985095.db2.gz WSNIVPWWCCCLEY-NWDGAFQWSA-N 1 1 292.329 2.637 20 30 CFEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(F)cccc2F)C1 ZINC000886356243 646985099 /nfs/dbraw/zinc/98/50/99/646985099.db2.gz WSNIVPWWCCCLEY-NWDGAFQWSA-N 1 1 292.329 2.637 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000886356164 646985358 /nfs/dbraw/zinc/98/53/58/646985358.db2.gz VAFUFVXHBLRWLV-NSHDSACASA-N 1 1 273.361 2.643 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2noc(-c3ccsc3)n2)C1 ZINC000886356164 646985361 /nfs/dbraw/zinc/98/53/61/646985361.db2.gz VAFUFVXHBLRWLV-NSHDSACASA-N 1 1 273.361 2.643 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000886358103 646986166 /nfs/dbraw/zinc/98/61/66/646986166.db2.gz PNWRZNJBCCHIRS-HUUCEWRRSA-N 1 1 292.423 2.589 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(C(=O)NCC(C)C)c2)C1 ZINC000886357693 646986244 /nfs/dbraw/zinc/98/62/44/646986244.db2.gz KLBCKACAFOWEOK-INIZCTEOSA-N 1 1 298.430 2.918 20 30 CFEDMO C#CC[C@H]1CC[N@H+](CC(=O)N(C(C)C)C2CCCC2)C1 ZINC000886359379 646986261 /nfs/dbraw/zinc/98/62/61/646986261.db2.gz BERNOQDSTDHHFZ-HNNXBMFYSA-N 1 1 276.424 2.511 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(=O)oc3c(C)c(O)ccc23)C1 ZINC000886359339 646986568 /nfs/dbraw/zinc/98/65/68/646986568.db2.gz ASNCYNMNUICJKN-CYBMUJFWSA-N 1 1 297.354 2.652 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000886360455 646986811 /nfs/dbraw/zinc/98/68/11/646986811.db2.gz WMNJRNHSVDJNTF-DZGCQCFKSA-N 1 1 298.386 2.561 20 30 CFEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)C1 ZINC000886360455 646986816 /nfs/dbraw/zinc/98/68/16/646986816.db2.gz WMNJRNHSVDJNTF-DZGCQCFKSA-N 1 1 298.386 2.561 20 30 CFEDMO C#CC[C@H]1CC[N@H+](CC(=O)Nc2c(C)cccc2C)C1 ZINC000886359885 646986823 /nfs/dbraw/zinc/98/68/23/646986823.db2.gz LIWKTQDKVGJLLZ-HNNXBMFYSA-N 1 1 270.376 2.587 20 30 CFEDMO C#CC[C@@H]1CC[N@H+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000886362708 646987795 /nfs/dbraw/zinc/98/77/95/646987795.db2.gz JXDRSVDMPOPZHL-QWHCGFSZSA-N 1 1 275.348 2.781 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000886362816 646987850 /nfs/dbraw/zinc/98/78/50/646987850.db2.gz OOQVHABLBFVIHN-LBPRGKRZSA-N 1 1 299.399 2.580 20 30 CFEDMO C#CC[C@H]1CC[N@H+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000886362816 646987853 /nfs/dbraw/zinc/98/78/53/646987853.db2.gz OOQVHABLBFVIHN-LBPRGKRZSA-N 1 1 299.399 2.580 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](CC/C=C/c2cncc(OC)c2)C1 ZINC000886365507 646988555 /nfs/dbraw/zinc/98/85/55/646988555.db2.gz KAJODIJXYPDBHL-NFBGWVBBSA-N 1 1 270.376 2.839 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ncccc2Br)C1 ZINC000886365222 646989081 /nfs/dbraw/zinc/98/90/81/646989081.db2.gz COPYDIPQMHWCGW-NSHDSACASA-N 1 1 279.181 2.689 20 30 CFEDMO C#CC[N@@H+](CC1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000886427718 646999926 /nfs/dbraw/zinc/99/99/26/646999926.db2.gz UWPUHUCGXPOLLY-UHFFFAOYSA-N 1 1 292.423 2.731 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)[C@@H]2c2ccccc2)C1=O ZINC000886542974 647039461 /nfs/dbraw/zinc/03/94/61/647039461.db2.gz ISVXRXBJHMDTNQ-BHYGNILZSA-N 1 1 284.403 2.856 20 30 CFEDMO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886620682 647072577 /nfs/dbraw/zinc/07/25/77/647072577.db2.gz PZUAOZOPZSELEH-SUHUHFCYSA-N 1 1 265.328 2.916 20 30 CFEDMO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886622571 647073227 /nfs/dbraw/zinc/07/32/27/647073227.db2.gz XGHRYTNNKCPCOE-QWRGUYRKSA-N 1 1 253.317 2.509 20 30 CFEDMO C=CCC[C@@H](CO)[NH2+][C@H](C)c1c(O)cccc1F ZINC000886622570 647073729 /nfs/dbraw/zinc/07/37/29/647073729.db2.gz XGHRYTNNKCPCOE-MNOVXSKESA-N 1 1 253.317 2.509 20 30 CFEDMO C=CCOCCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886637810 647081612 /nfs/dbraw/zinc/08/16/12/647081612.db2.gz FWSZDHGSKDGTQS-LLVKDONJSA-N 1 1 253.317 2.775 20 30 CFEDMO C[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc(C#N)c1 ZINC000886664527 647096993 /nfs/dbraw/zinc/09/69/93/647096993.db2.gz OZNKHKHMQIEEOC-BXUZGUMPSA-N 1 1 252.321 2.550 20 30 CFEDMO C#CCN1CCC[C@H]([NH2+][C@H](CC)c2ccc(F)cc2O)C1 ZINC000886663245 647097396 /nfs/dbraw/zinc/09/73/96/647097396.db2.gz WQZKTRIZAPCVEQ-GOEBONIOSA-N 1 1 290.382 2.670 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886673792 647104137 /nfs/dbraw/zinc/10/41/37/647104137.db2.gz AYQHVDWJSSEKKP-MRXNPFEDSA-N 1 1 278.359 2.728 20 30 CFEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3ncccn3)C2)c1 ZINC000886673744 647104174 /nfs/dbraw/zinc/10/41/74/647104174.db2.gz AIWKQDRFMXRWFJ-CQSZACIVSA-N 1 1 296.349 2.867 20 30 CFEDMO N#Cc1ccc(F)c(C[N@H+]2CCC[C@@H](c3ncccn3)C2)c1 ZINC000886673744 647104176 /nfs/dbraw/zinc/10/41/76/647104176.db2.gz AIWKQDRFMXRWFJ-CQSZACIVSA-N 1 1 296.349 2.867 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H](c3ncccn3)C2)cc1 ZINC000886689651 647112367 /nfs/dbraw/zinc/11/23/67/647112367.db2.gz FQJMVGSYDHAUIU-QGZVFWFLSA-N 1 1 292.386 2.770 20 30 CFEDMO CSc1ccc(C[NH2+][C@H](C)c2ncc[nH]2)cc1C#N ZINC000886690167 647112658 /nfs/dbraw/zinc/11/26/58/647112658.db2.gz QJYRXQJBKAQBFA-SNVBAGLBSA-N 1 1 272.377 2.854 20 30 CFEDMO C=CCCCC[C@H](C)[NH2+]Cc1nnc(CSC)[nH]1 ZINC000886759431 647128625 /nfs/dbraw/zinc/12/86/25/647128625.db2.gz GFKMTYKWPPDEMH-NSHDSACASA-N 1 1 268.430 2.892 20 30 CFEDMO C=CCC1(O)CC[NH+](Cc2cn3cccc(C)c3n2)CC1 ZINC000886761993 647129314 /nfs/dbraw/zinc/12/93/14/647129314.db2.gz OSSIHJIHBAFLCJ-UHFFFAOYSA-N 1 1 285.391 2.546 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886799466 647142533 /nfs/dbraw/zinc/14/25/33/647142533.db2.gz RDPXUCVKABMESL-RISCZKNCSA-N 1 1 298.308 2.866 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886821826 647152739 /nfs/dbraw/zinc/15/27/39/647152739.db2.gz IBNCODJIMDNDBR-HZPDHXFCSA-N 1 1 256.349 2.559 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886822284 647153563 /nfs/dbraw/zinc/15/35/63/647153563.db2.gz OMZMPNJSLFVFQF-DLBZAZTESA-N 1 1 255.361 2.539 20 30 CFEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886830150 647155393 /nfs/dbraw/zinc/15/53/93/647155393.db2.gz MRIISMFJWFBECQ-NVXWUHKLSA-N 1 1 286.375 2.590 20 30 CFEDMO N#Cc1c(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cn2ccccc12 ZINC000886834785 647157749 /nfs/dbraw/zinc/15/77/49/647157749.db2.gz CVGWYMGBQMQRBE-KSSFIOAISA-N 1 1 295.386 2.812 20 30 CFEDMO N#Cc1ccc(CN2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886872206 647164955 /nfs/dbraw/zinc/16/49/55/647164955.db2.gz MLENHQJCKLJXBK-QGZVFWFLSA-N 1 1 269.392 2.524 20 30 CFEDMO COCC[N@@H+](CCO[C@@H](C)C#N)Cc1ccc(C)c(C)c1 ZINC000887110523 647217271 /nfs/dbraw/zinc/21/72/71/647217271.db2.gz UMMSPBPAEBHWIE-INIZCTEOSA-N 1 1 290.407 2.681 20 30 CFEDMO C[C@H]1CN(c2cc[nH+]cc2)CCN1Cc1ccc(C#N)cc1 ZINC000887130327 647221706 /nfs/dbraw/zinc/22/17/06/647221706.db2.gz BJLIPMKBMAQOKT-HNNXBMFYSA-N 1 1 292.386 2.664 20 30 CFEDMO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+](C)CCCF ZINC000887139922 647228685 /nfs/dbraw/zinc/22/86/85/647228685.db2.gz JRLQILDIFGNSJT-BBBYJDLNSA-N 1 1 297.418 2.597 20 30 CFEDMO CC[N@H+]1CC[C@H]1C/N=C/c1cc(Cl)ccc1O ZINC000887269944 647254557 /nfs/dbraw/zinc/25/45/57/647254557.db2.gz DRNGCHJWWUEFBN-AAWHYMEISA-N 1 1 252.745 2.559 20 30 CFEDMO C=CC(C)(C)CC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000889621764 647623752 /nfs/dbraw/zinc/62/37/52/647623752.db2.gz HQZUSHWLMYJKTR-KBPBESRZSA-N 1 1 264.413 2.531 20 30 CFEDMO C=C1CCC(C(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000889793470 647671212 /nfs/dbraw/zinc/67/12/12/647671212.db2.gz LDWDTNKECUTESB-UHFFFAOYSA-N 1 1 259.353 2.833 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(C)cc2C)C1 ZINC000890378162 647790137 /nfs/dbraw/zinc/79/01/37/647790137.db2.gz WOLRVEXYHAVKES-OAHLLOKOSA-N 1 1 285.391 2.523 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C)cc2C)C1 ZINC000890378162 647790142 /nfs/dbraw/zinc/79/01/42/647790142.db2.gz WOLRVEXYHAVKES-OAHLLOKOSA-N 1 1 285.391 2.523 20 30 CFEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000924627874 648011775 /nfs/dbraw/zinc/01/17/75/648011775.db2.gz XFHQQGYIZHICNN-CHWSQXEVSA-N 1 1 289.427 2.983 20 30 CFEDMO C=CC[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccncc1 ZINC000925076110 648100657 /nfs/dbraw/zinc/10/06/57/648100657.db2.gz UGOLPEODQGLHTJ-UBHSHLNASA-N 1 1 269.352 2.586 20 30 CFEDMO C=CC[C@@H]([NH2+][C@@H](C)c1nn(CC)nc1C)c1ccncc1 ZINC000925075219 648100767 /nfs/dbraw/zinc/10/07/67/648100767.db2.gz MQXBQMRWOGSMDU-SWLSCSKDSA-N 1 1 285.395 2.969 20 30 CFEDMO C=CC[C@H]([NH2+][C@H](C)c1cn(C)cn1)c1ccncc1 ZINC000925076395 648101121 /nfs/dbraw/zinc/10/11/21/648101121.db2.gz XDRFIDCIYWIQOF-OCCSQVGLSA-N 1 1 256.353 2.783 20 30 CFEDMO N#Cc1ccc(F)c(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000925477439 648179368 /nfs/dbraw/zinc/17/93/68/648179368.db2.gz QUUFKROESKGCHD-IAGOWNOFSA-N 1 1 287.382 2.804 20 30 CFEDMO N#Cc1ccc(F)c(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000925477439 648179373 /nfs/dbraw/zinc/17/93/73/648179373.db2.gz QUUFKROESKGCHD-IAGOWNOFSA-N 1 1 287.382 2.804 20 30 CFEDMO CC[C@H](C#N)Oc1cccc(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)c1 ZINC000925619483 648242652 /nfs/dbraw/zinc/24/26/52/648242652.db2.gz OBEAHJWHQNWVTR-DJIMGWMZSA-N 1 1 299.418 2.727 20 30 CFEDMO C=CCCSCC[NH2+][C@H](c1ccccc1)[C@@H](C)N ZINC000925710339 648290597 /nfs/dbraw/zinc/29/05/97/648290597.db2.gz WRBKSCUGQANMLV-HIFRSBDPSA-N 1 1 264.438 2.974 20 30 CFEDMO C=CCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000925712016 648291466 /nfs/dbraw/zinc/29/14/66/648291466.db2.gz YWQLLTMBADSUBL-MGNMYUMUSA-N 1 1 280.456 2.963 20 30 CFEDMO CCC1([NH3+])CCN([C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000925760827 648311285 /nfs/dbraw/zinc/31/12/85/648311285.db2.gz SSILLYJOTZSHRS-INIZCTEOSA-N 1 1 269.392 2.749 20 30 CFEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc(N)ccn1 ZINC000925771929 648316035 /nfs/dbraw/zinc/31/60/35/648316035.db2.gz OYCGARWDGKXBMJ-KRWDZBQOSA-N 1 1 278.359 2.703 20 30 CFEDMO Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1C#N ZINC000926965435 648673213 /nfs/dbraw/zinc/67/32/13/648673213.db2.gz RFQDHRBSAHXRRU-IUODEOHRSA-N 1 1 266.348 2.859 20 30 CFEDMO Cc1ccc(C[NH2+][C@H](c2nccn2C)C2CC2)cc1C#N ZINC000926966583 648674358 /nfs/dbraw/zinc/67/43/58/648674358.db2.gz KTPCFXXDTSAWSQ-INIZCTEOSA-N 1 1 280.375 2.841 20 30 CFEDMO C[C@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccc(C#N)cc1 ZINC000927122069 648720658 /nfs/dbraw/zinc/72/06/58/648720658.db2.gz RHSVUFCIKAHGJR-NSHDSACASA-N 1 1 299.399 2.938 20 30 CFEDMO C=C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1C)c1ccccc1 ZINC000928432235 648910254 /nfs/dbraw/zinc/91/02/54/648910254.db2.gz CTWOKHLTGUPVQU-SQWLQELKSA-N 1 1 272.392 2.555 20 30 CFEDMO C=CCC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C)c1ccccc1 ZINC000928556528 648924751 /nfs/dbraw/zinc/92/47/51/648924751.db2.gz AORQXHYJSCHOOW-HZPDHXFCSA-N 1 1 272.392 2.557 20 30 CFEDMO C=CCCC[C@H](C(=O)NC[C@H]1CC[N@@H+]1C)c1ccccc1 ZINC000928571553 648925344 /nfs/dbraw/zinc/92/53/44/648925344.db2.gz OXDZPGZNQCHKLD-SJORKVTESA-N 1 1 286.419 2.947 20 30 CFEDMO CCN(CC)C(=O)C[N@@H+](C)CCCCC1(C#N)CCC1 ZINC000929093004 648977364 /nfs/dbraw/zinc/97/73/64/648977364.db2.gz KRIYXOYUVAIDKS-UHFFFAOYSA-N 1 1 279.428 2.651 20 30 CFEDMO C=CC[N@H+](Cc1cccs1)C[C@@H]1CCC2(COC2)O1 ZINC000929142086 648988890 /nfs/dbraw/zinc/98/88/90/648988890.db2.gz XZOLMGSZTZXJQB-ZDUSSCGKSA-N 1 1 279.405 2.684 20 30 CFEDMO CC[C@@H](C)[C@H](C(=O)OC)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000929162222 648992555 /nfs/dbraw/zinc/99/25/55/648992555.db2.gz JCAVUOOCQJGSOV-IUODEOHRSA-N 1 1 274.364 2.578 20 30 CFEDMO CC[C@@H](C)[C@H](C(=O)OC)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000929162222 648992557 /nfs/dbraw/zinc/99/25/57/648992557.db2.gz JCAVUOOCQJGSOV-IUODEOHRSA-N 1 1 274.364 2.578 20 30 CFEDMO C=CC[N@@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)C(C)C ZINC000929293569 649026247 /nfs/dbraw/zinc/02/62/47/649026247.db2.gz YBDRHVCYMWGLJF-WDEREUQCSA-N 1 1 251.292 2.993 20 30 CFEDMO C=C[C@@H](CC)CC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000929399090 649044797 /nfs/dbraw/zinc/04/47/97/649044797.db2.gz DEJWXFVDYHODAS-GJZGRUSLSA-N 1 1 266.429 2.969 20 30 CFEDMO C[C@@H](C#N)C[N@H+](C)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000929474060 649056020 /nfs/dbraw/zinc/05/60/20/649056020.db2.gz HIMFIFRABGZWFZ-ZDUSSCGKSA-N 1 1 280.412 2.980 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](C)CCC1(C(=O)OC(C)(C)C)CCC1 ZINC000929474060 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ZINC000929522165 649065998 /nfs/dbraw/zinc/06/59/98/649065998.db2.gz XSBLUONTPYQTBR-NRXISQOPSA-N 1 1 250.386 2.553 20 30 CFEDMO C=C[C@H](CC)CC(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000929604351 649076976 /nfs/dbraw/zinc/07/69/76/649076976.db2.gz KQLPVOXDLSBDPG-SOUVJXGZSA-N 1 1 296.455 2.593 20 30 CFEDMO C[N@@H+](CC1CCC(C#N)CC1)C[C@@H]1CCCOC1 ZINC000929604506 649077066 /nfs/dbraw/zinc/07/70/66/649077066.db2.gz CQPAHIZLDJKFQL-NRXISQOPSA-N 1 1 250.386 2.675 20 30 CFEDMO N#CC1CCC(C[N@H+]2CC[C@@H](N3CCCCC3)C2)CC1 ZINC000929608290 649078157 /nfs/dbraw/zinc/07/81/57/649078157.db2.gz RMONYCBWXIJWJG-OFLPRAFFSA-N 1 1 275.440 2.877 20 30 CFEDMO C=CC[N@H+](CCc1nnc(C)o1)CC1CCCCC1 ZINC000929626017 649081580 /nfs/dbraw/zinc/08/15/80/649081580.db2.gz WEZMTEVRWLSUQV-UHFFFAOYSA-N 1 1 263.385 2.989 20 30 CFEDMO C[N@@H+](Cc1cncc(C#N)c1)[C@H]1CCc2ccccc2C1 ZINC000929648306 649086033 /nfs/dbraw/zinc/08/60/33/649086033.db2.gz YXKNIYZADHGVBJ-SFHVURJKSA-N 1 1 277.371 2.943 20 30 CFEDMO CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H](O)CC#N ZINC000929751381 649111919 /nfs/dbraw/zinc/11/19/19/649111919.db2.gz UFZWMWKFAOMNMR-CVEARBPZSA-N 1 1 278.371 2.599 20 30 CFEDMO CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@H](O)CC#N ZINC000929831329 649133844 /nfs/dbraw/zinc/13/38/44/649133844.db2.gz CPHXSBHEURJDTL-HZPDHXFCSA-N 1 1 260.381 2.604 20 30 CFEDMO Cc1nnc([C@@H]2CCC[N@@H+](CC3CCC(C#N)CC3)C2)[nH]1 ZINC000929839222 649135736 /nfs/dbraw/zinc/13/57/36/649135736.db2.gz UUIOKHSTZXGCQS-YMAMQOFZSA-N 1 1 287.411 2.623 20 30 CFEDMO Cc1n[nH]c([C@@H]2CCC[N@H+](CC3CCC(C#N)CC3)C2)n1 ZINC000929839222 649135737 /nfs/dbraw/zinc/13/57/37/649135737.db2.gz UUIOKHSTZXGCQS-YMAMQOFZSA-N 1 1 287.411 2.623 20 30 CFEDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](CC3CCC(C#N)CC3)C2)n1 ZINC000929839222 649135740 /nfs/dbraw/zinc/13/57/40/649135740.db2.gz UUIOKHSTZXGCQS-YMAMQOFZSA-N 1 1 287.411 2.623 20 30 CFEDMO Cc1nc([C@@H]2CCC[N@H+](CC3CCC(C#N)CC3)C2)n[nH]1 ZINC000929839222 649135742 /nfs/dbraw/zinc/13/57/42/649135742.db2.gz 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C=C(C)CC[NH+]1CC(NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001030882248 779075610 /nfs/dbraw/zinc/07/56/10/779075610.db2.gz RPSAVKSUPNNZEN-UHFFFAOYSA-N 1 1 283.375 2.548 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cc(Cl)c[nH]2)C1 ZINC001046127564 779077123 /nfs/dbraw/zinc/07/71/23/779077123.db2.gz AFYOUDUDLQSJNV-HNNXBMFYSA-N 1 1 295.814 2.829 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]2CC)C1 ZINC001030911659 779095834 /nfs/dbraw/zinc/09/58/34/779095834.db2.gz TYQFVCMXPJWCRB-DZGCQCFKSA-N 1 1 264.413 2.579 20 30 CFEDMO C=CCN1CC[C@]2(CC[N@H+](C[C@H](C)CCC)C2)C1=O ZINC001272433522 779097048 /nfs/dbraw/zinc/09/70/48/779097048.db2.gz WNLKDZRVNFFULV-ZBFHGGJFSA-N 1 1 264.413 2.533 20 30 CFEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCc1ccccc1 ZINC001272445739 779100866 /nfs/dbraw/zinc/10/08/66/779100866.db2.gz KVOCFHAFNOXGIG-QZTJIDSGSA-N 1 1 298.430 2.871 20 30 CFEDMO N#Cc1cc(C[NH+]2CCC(Oc3ccccc3)CC2)ccn1 ZINC001237459568 779112794 /nfs/dbraw/zinc/11/27/94/779112794.db2.gz 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266.348 2.724 20 30 CFEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CCC1 ZINC001099174664 779145041 /nfs/dbraw/zinc/14/50/41/779145041.db2.gz AAEWEPXAPVNBPQ-HNNXBMFYSA-N 1 1 290.451 2.807 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(F)F)CC(C)(C)C1 ZINC001089299414 779146161 /nfs/dbraw/zinc/14/61/61/779146161.db2.gz SMDYLQLBMJJKSY-LBPRGKRZSA-N 1 1 288.382 2.825 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001031002833 779167328 /nfs/dbraw/zinc/16/73/28/779167328.db2.gz RHSNTTLPFMNSIQ-HZPDHXFCSA-N 1 1 290.451 2.969 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)C1 ZINC001031009116 779170058 /nfs/dbraw/zinc/17/00/58/779170058.db2.gz FBUYBTMKWIMIQC-ZSHCYNCHSA-N 1 1 276.424 2.579 20 30 CFEDMO C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237746398 779173653 /nfs/dbraw/zinc/17/36/53/779173653.db2.gz MHRDZHXJNDVAIE-NEPJUHHUSA-N 1 1 278.783 2.804 20 30 CFEDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc(Cl)cc(C#N)c3)C[C@H]21 ZINC001237754410 779175788 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C=C(C)C[N@H+]1CCCC[C@H](NC(=O)Cc2ccccc2)C1 ZINC001034272918 780936699 /nfs/dbraw/zinc/93/66/99/780936699.db2.gz OGBUVHFCUPDKQJ-KRWDZBQOSA-N 1 1 286.419 2.776 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2[nH]c(C)cc2C)C1 ZINC001034277642 780937932 /nfs/dbraw/zinc/93/79/32/780937932.db2.gz RLJRHNHYWRAOKG-OAHLLOKOSA-N 1 1 289.423 2.792 20 30 CFEDMO C=C(C)C[N@@H+]1CCO[C@@](C)(CNC(=O)CC(C)=C(C)C)C1 ZINC001108124155 780938009 /nfs/dbraw/zinc/93/80/09/780938009.db2.gz FFXZMVBYIRRGBO-KRWDZBQOSA-N 1 1 294.439 2.516 20 30 CFEDMO C=C(C)C[N@H+]1CCO[C@@](C)(CNC(=O)CC(C)=C(C)C)C1 ZINC001108124155 780938015 /nfs/dbraw/zinc/93/80/15/780938015.db2.gz FFXZMVBYIRRGBO-KRWDZBQOSA-N 1 1 294.439 2.516 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)C2(F)CCCC2)C1 ZINC001034279922 780938384 /nfs/dbraw/zinc/93/83/84/780938384.db2.gz RIHYZUYUQXFFTG-AWEZNQCLSA-N 1 1 282.403 2.816 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2nccc3occc32)C1 ZINC001034322866 780946229 /nfs/dbraw/zinc/94/62/29/780946229.db2.gz KINBKJKBWJLNNO-CYBMUJFWSA-N 1 1 299.374 2.598 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034353172 780948376 /nfs/dbraw/zinc/94/83/76/780948376.db2.gz VHQYQMGOLSBCHL-KBPBESRZSA-N 1 1 264.413 2.579 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034353118 780948561 /nfs/dbraw/zinc/94/85/61/780948561.db2.gz VFQLAPCDPJHCPC-GJZGRUSLSA-N 1 1 278.440 2.969 20 30 CFEDMO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](CC(C)C)C2)cc1 ZINC001034345921 780952410 /nfs/dbraw/zinc/95/24/10/780952410.db2.gz VMCXRAGTAXGYLK-SFHVURJKSA-N 1 1 298.430 2.908 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001034352188 780954523 /nfs/dbraw/zinc/95/45/23/780954523.db2.gz RCDVYBGQAOHTMQ-MRXNPFEDSA-N 1 1 288.435 2.561 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001034383915 780961469 /nfs/dbraw/zinc/96/14/69/780961469.db2.gz AZTFRYPVEGTXIY-CVEARBPZSA-N 1 1 290.451 2.807 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2occc2Cl)C1 ZINC001034386506 780962241 /nfs/dbraw/zinc/96/22/41/780962241.db2.gz DCQGSBUMMRNMLK-LLVKDONJSA-N 1 1 282.771 2.703 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)Cc2occc2C)C1 ZINC001034386257 780962502 /nfs/dbraw/zinc/96/25/02/780962502.db2.gz YAXXTBRWCGMCAH-OAHLLOKOSA-N 1 1 290.407 2.677 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001034385357 780962880 /nfs/dbraw/zinc/96/28/80/780962880.db2.gz REWYQURMPYNBLU-CQSZACIVSA-N 1 1 296.842 2.900 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C2CC3(CC3)C2)C1 ZINC001034385357 780962883 /nfs/dbraw/zinc/96/28/83/780962883.db2.gz REWYQURMPYNBLU-CQSZACIVSA-N 1 1 296.842 2.900 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)Cc2occc2C)C1 ZINC001034389219 780964068 /nfs/dbraw/zinc/96/40/68/780964068.db2.gz KNPRNFVDXCQYKN-OAHLLOKOSA-N 1 1 290.407 2.677 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001034390185 780964195 /nfs/dbraw/zinc/96/41/95/780964195.db2.gz PRIOHPMZOITMLS-SOLBZPMBSA-N 1 1 288.435 2.561 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001034406995 780965186 /nfs/dbraw/zinc/96/51/86/780965186.db2.gz VETDMIJZWBEIOM-QLFBSQMISA-N 1 1 264.413 2.579 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001034395483 780965207 /nfs/dbraw/zinc/96/52/07/780965207.db2.gz XAJQFYCNGLSRMM-GJZGRUSLSA-N 1 1 290.407 2.930 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001034397137 780967139 /nfs/dbraw/zinc/96/71/39/780967139.db2.gz GKGKQVHGJBTABA-KGLIPLIRSA-N 1 1 276.380 2.540 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001034424319 780968366 /nfs/dbraw/zinc/96/83/66/780968366.db2.gz NRGLRFSVMPIFKR-CQSZACIVSA-N 1 1 297.402 2.938 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)c2c(C)cccc2C)C1 ZINC001034410587 780969274 /nfs/dbraw/zinc/96/92/74/780969274.db2.gz DUGFDURZGKBJAO-KRWDZBQOSA-N 1 1 298.430 2.911 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)cccc2C)C1 ZINC001034411443 780969616 /nfs/dbraw/zinc/96/96/16/780969616.db2.gz 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C=CCn1cnn(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1=S ZINC001118001865 781068536 /nfs/dbraw/zinc/06/85/36/781068536.db2.gz QPLDIXLFDQKGDF-BETUJISGSA-N 1 1 278.425 2.680 20 30 CFEDMO C=CCn1cnn(C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)c1=S ZINC001118001865 781068541 /nfs/dbraw/zinc/06/85/41/781068541.db2.gz QPLDIXLFDQKGDF-BETUJISGSA-N 1 1 278.425 2.680 20 30 CFEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CC(C)C)CC2 ZINC001035149478 781115341 /nfs/dbraw/zinc/11/53/41/781115341.db2.gz BIOVHVJCLXZJHE-UHFFFAOYSA-N 1 1 264.413 2.533 20 30 CFEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C(CC)CC)CC2 ZINC001035161199 781119686 /nfs/dbraw/zinc/11/96/86/781119686.db2.gz QZMBHFZTOWEHHX-UHFFFAOYSA-N 1 1 278.440 2.923 20 30 CFEDMO C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)C(F)=C(C)C)CC2 ZINC001035175523 781123043 /nfs/dbraw/zinc/12/30/43/781123043.db2.gz ORTOIGBCEDOPPN-UHFFFAOYSA-N 1 1 292.398 2.588 20 30 CFEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1cncc(C)c1)CC2 ZINC001035173224 781123256 /nfs/dbraw/zinc/12/32/56/781123256.db2.gz ZDVRFNIMIKVVSA-UHFFFAOYSA-N 1 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C[C@H]1[C@@H](NCC2(C#N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000709448400 781311244 /nfs/dbraw/zinc/31/12/44/781311244.db2.gz XWHVMQHHZBNPHC-HOCLYGCPSA-N 1 1 269.392 2.543 20 30 CFEDMO C[C@H]1[C@@H]([NH2+]CC2(C#N)CC2)CCN1Cc1ccccc1 ZINC000709448400 781311249 /nfs/dbraw/zinc/31/12/49/781311249.db2.gz XWHVMQHHZBNPHC-HOCLYGCPSA-N 1 1 269.392 2.543 20 30 CFEDMO C=CC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C)c3)CC[C@@H]21 ZINC001036630977 781336106 /nfs/dbraw/zinc/33/61/06/781336106.db2.gz OWJCGHGRBPDZBF-IRXDYDNUSA-N 1 1 284.403 2.717 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CCCC3)CC[C@H]21 ZINC001036631664 781336124 /nfs/dbraw/zinc/33/61/24/781336124.db2.gz AUTDFNBDSAPVGD-IAGOWNOFSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3ccsc3)CC[C@H]21 ZINC001036638357 781340911 /nfs/dbraw/zinc/34/09/11/781340911.db2.gz DJTWRKQLPQIWOF-UKRRQHHQSA-N 1 1 290.432 2.861 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC(C)(C)C)CC[C@H]21 ZINC001036642485 781341542 /nfs/dbraw/zinc/34/15/42/781341542.db2.gz 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C[C@@H](CNc1cnccc1C#N)[N@@H+](C)Cc1ccccc1 ZINC000094157768 347693579 /nfs/dbraw/zinc/69/35/79/347693579.db2.gz ISBHZVFXOARIDA-AWEZNQCLSA-N 1 1 280.375 2.886 20 30 CFEDMO CC[N@H+]1CCN(c2nc(C(F)(F)F)ccc2C#N)C[C@@H]1C ZINC000094335328 347695265 /nfs/dbraw/zinc/69/52/65/347695265.db2.gz UYXJDGHYIDPDAM-JTQLQIEISA-N 1 1 298.312 2.502 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1O ZINC000093333052 347670454 /nfs/dbraw/zinc/67/04/54/347670454.db2.gz JYRGBHOVNWTAFY-BBRMVZONSA-N 1 1 272.392 2.690 20 30 CFEDMO C[C@@H]1CC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C[C@@H]1O ZINC000093344858 347671000 /nfs/dbraw/zinc/67/10/00/347671000.db2.gz MGBPNQPTBBWQDX-DOMZBBRYSA-N 1 1 297.320 2.760 20 30 CFEDMO CC[C@H]1c2ccccc2CC[N@@H+]1CC(=O)N(CC)CCC#N ZINC000114492756 347772677 /nfs/dbraw/zinc/77/26/77/347772677.db2.gz SNNZZCDBZFEKMX-KRWDZBQOSA-N 1 1 299.418 2.758 20 30 CFEDMO Cn1nc(C[NH2+]Cc2ccc(C#N)cc2)c2ccccc21 ZINC000112341269 347759871 /nfs/dbraw/zinc/75/98/71/347759871.db2.gz DBDDLRMQVRNVFY-UHFFFAOYSA-N 1 1 276.343 2.735 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)NCCc1ccc(Cl)cc1 ZINC000121050428 347809979 /nfs/dbraw/zinc/80/99/79/347809979.db2.gz GGHDKNPYVAPCQE-UHFFFAOYSA-N 1 1 294.826 2.897 20 30 CFEDMO N#Cc1csc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000121277244 347811462 /nfs/dbraw/zinc/81/14/62/347811462.db2.gz LPDJFZJXIQTTIE-LBPRGKRZSA-N 1 1 272.377 2.722 20 30 CFEDMO COc1cc2c(c(C[NH+]3CCC(C#N)CC3)c1)O[C@@H](C)C2 ZINC000123665540 347820609 /nfs/dbraw/zinc/82/06/09/347820609.db2.gz CGHKUJYKHGCLTE-LBPRGKRZSA-N 1 1 286.375 2.754 20 30 CFEDMO CCO[C@H]1CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000155436721 347986487 /nfs/dbraw/zinc/98/64/87/347986487.db2.gz NYIQOZRZGRABMT-LBPRGKRZSA-N 1 1 250.367 2.621 20 30 CFEDMO C=CC[N@H+](CCCCCO)Cc1cccc([N+](=O)[O-])c1 ZINC000171146326 348070366 /nfs/dbraw/zinc/07/03/66/348070366.db2.gz QSEJBQAHGWSKJS-UHFFFAOYSA-N 1 1 278.352 2.745 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccccn1 ZINC000165442698 348038636 /nfs/dbraw/zinc/03/86/36/348038636.db2.gz BQGVTXQDALZLFS-UHFFFAOYSA-N 1 1 251.333 2.894 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000165453005 348039004 /nfs/dbraw/zinc/03/90/04/348039004.db2.gz GOWGDNVULZSRAX-INIZCTEOSA-N 1 1 258.365 2.868 20 30 CFEDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#N)cc1C ZINC000165451766 348039014 /nfs/dbraw/zinc/03/90/14/348039014.db2.gz RACXUWDGLJPHPX-XJKSGUPXSA-N 1 1 258.365 2.866 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000165483447 348040225 /nfs/dbraw/zinc/04/02/25/348040225.db2.gz GFYQLWNOONREFS-OAHLLOKOSA-N 1 1 258.365 2.725 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000166431368 348042535 /nfs/dbraw/zinc/04/25/35/348042535.db2.gz VNYXEMYDPZYEHK-KSZLIROESA-N 1 1 284.403 2.992 20 30 CFEDMO C[NH+](C)CC(=O)Nc1cccc(C#Cc2ccccc2)c1 ZINC000170750744 348061203 /nfs/dbraw/zinc/06/12/03/348061203.db2.gz XRWLSJAAJYZXGA-UHFFFAOYSA-N 1 1 278.355 2.587 20 30 CFEDMO C[C@H]([N@@H+](C)C[C@@H](O)COc1ccccc1C#N)C(C)(C)C ZINC000218346462 348166654 /nfs/dbraw/zinc/16/66/54/348166654.db2.gz IUEUFEDLEGLKJT-DZGCQCFKSA-N 1 1 290.407 2.664 20 30 CFEDMO N#Cc1cc(F)cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000227625463 348189339 /nfs/dbraw/zinc/18/93/39/348189339.db2.gz SXKMOYQVOCYKAJ-DZGCQCFKSA-N 1 1 259.328 2.736 20 30 CFEDMO N#Cc1ccnc(NC[C@H]2CC[N@H+](C3CC3)C2)c1Cl ZINC000236051064 348231780 /nfs/dbraw/zinc/23/17/80/348231780.db2.gz APFXHPPCDPQMAV-SNVBAGLBSA-N 1 1 276.771 2.503 20 30 CFEDMO Cc1c(Cl)cnc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1C#N ZINC000273340528 192119199 /nfs/dbraw/zinc/11/91/99/192119199.db2.gz NQDAVLHMBDPBEG-MWLCHTKSSA-N 1 1 290.798 2.952 20 30 CFEDMO C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000265544459 348321105 /nfs/dbraw/zinc/32/11/05/348321105.db2.gz RUJQEKQWCJBOIK-OLZOCXBDSA-N 1 1 276.405 2.915 20 30 CFEDMO Cc1c(Cl)cnc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c1C#N ZINC000273343975 192120588 /nfs/dbraw/zinc/12/05/88/192120588.db2.gz OGJUCGCQIXQJEG-XPTSAGLGSA-N 1 1 290.798 2.810 20 30 CFEDMO COc1nc(C)cc(C)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000287674828 348348590 /nfs/dbraw/zinc/34/85/90/348348590.db2.gz HVMNHMOQWQJWSI-UHFFFAOYSA-N 1 1 273.380 2.833 20 30 CFEDMO COc1ccc(CC(N)=[NH+]OCCCCCF)cc1 ZINC000284034086 348345380 /nfs/dbraw/zinc/34/53/80/348345380.db2.gz IRMOVFJEQQBSIU-UHFFFAOYSA-N 1 1 268.332 2.666 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000303667655 348375579 /nfs/dbraw/zinc/37/55/79/348375579.db2.gz XXJWARCIJQDAET-MRXNPFEDSA-N 1 1 278.440 2.945 20 30 CFEDMO CC[N@@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCCOC1 ZINC000311254414 348412163 /nfs/dbraw/zinc/41/21/63/348412163.db2.gz SSEJHJQRXPSOSJ-CQSZACIVSA-N 1 1 262.328 2.698 20 30 CFEDMO C[C@H](CNc1ncc(C#N)cc1F)[N@H+]1CCCC[C@@H]1C ZINC000413054893 233011717 /nfs/dbraw/zinc/01/17/17/233011717.db2.gz PIFAQMDGPWGGOO-NWDGAFQWSA-N 1 1 276.359 2.767 20 30 CFEDMO CC[N@H+]1C[C@@H](C)N(CCCC2(C#N)CCOCC2)C[C@@H]1C ZINC000337178929 348452555 /nfs/dbraw/zinc/45/25/55/348452555.db2.gz KRKTZNQQFBGURC-JKSUJKDBSA-N 1 1 293.455 2.501 20 30 CFEDMO CCN1C[C@@H](C)[N@H+](CCCC2(C#N)CCOCC2)C[C@@H]1C ZINC000337178929 348452558 /nfs/dbraw/zinc/45/25/58/348452558.db2.gz KRKTZNQQFBGURC-JKSUJKDBSA-N 1 1 293.455 2.501 20 30 CFEDMO CCN1C[C@@H](C)[N@@H+](CCCC2(C#N)CCOCC2)C[C@@H]1C ZINC000337178929 348452562 /nfs/dbraw/zinc/45/25/62/348452562.db2.gz KRKTZNQQFBGURC-JKSUJKDBSA-N 1 1 293.455 2.501 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000394436464 348548850 /nfs/dbraw/zinc/54/88/50/348548850.db2.gz OEBGEBCREQJVNG-INIZCTEOSA-N 1 1 293.455 2.503 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000368999477 348516448 /nfs/dbraw/zinc/51/64/48/348516448.db2.gz FBKFKCBZYYMIOR-HNNXBMFYSA-N 1 1 289.427 2.710 20 30 CFEDMO C[C@@H]1C[C@H](Nc2cc(C(F)(F)F)cnc2C#N)CC[N@H+]1C ZINC000413156713 233025897 /nfs/dbraw/zinc/02/58/97/233025897.db2.gz GAGHZKRRVCMQED-MWLCHTKSSA-N 1 1 298.312 2.867 20 30 CFEDMO CC[C@@H](C#N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379708876 348522207 /nfs/dbraw/zinc/52/22/07/348522207.db2.gz GZYKWUWABUHRMK-DLBZAZTESA-N 1 1 299.418 2.707 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)[C@H](CC)CO1 ZINC000403872175 348587616 /nfs/dbraw/zinc/58/76/16/348587616.db2.gz LMWHWAXFOWSWCB-HZPDHXFCSA-N 1 1 258.365 2.948 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)[C@H](CC)CO1 ZINC000403872175 348587617 /nfs/dbraw/zinc/58/76/17/348587617.db2.gz LMWHWAXFOWSWCB-HZPDHXFCSA-N 1 1 258.365 2.948 20 30 CFEDMO CC[C@@H]1COC(C)(C)C[N@H+]1CCOc1cccc(C#N)c1 ZINC000403908439 348588579 /nfs/dbraw/zinc/58/85/79/348588579.db2.gz XXDQTORTJLEBIY-OAHLLOKOSA-N 1 1 288.391 2.826 20 30 CFEDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1cccc(C#N)c1 ZINC000403955894 348588682 /nfs/dbraw/zinc/58/86/82/348588682.db2.gz ZPTXFKILEZMZBL-HNNXBMFYSA-N 1 1 258.365 2.948 20 30 CFEDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404124687 348590588 /nfs/dbraw/zinc/59/05/88/348590588.db2.gz QACYBEUVQFYCLP-CQSZACIVSA-N 1 1 290.338 2.615 20 30 CFEDMO COc1ccc(C[NH2+]CC2(C#N)CCCC2)c(OC)c1 ZINC000405170756 348596822 /nfs/dbraw/zinc/59/68/22/348596822.db2.gz NFXCHLLGWOWAMA-UHFFFAOYSA-N 1 1 274.364 2.877 20 30 CFEDMO COc1cc(C)nc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000397839454 348564751 /nfs/dbraw/zinc/56/47/51/348564751.db2.gz PDNVRSVQRVZAJM-ZDUSSCGKSA-N 1 1 259.353 2.524 20 30 CFEDMO COc1cc(C)nc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000397839454 348564756 /nfs/dbraw/zinc/56/47/56/348564756.db2.gz PDNVRSVQRVZAJM-ZDUSSCGKSA-N 1 1 259.353 2.524 20 30 CFEDMO CC[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000398141733 348566819 /nfs/dbraw/zinc/56/68/19/348566819.db2.gz AORFWMJAOOMBAV-OIISXLGYSA-N 1 1 299.418 2.563 20 30 CFEDMO C=CCOCC[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000559143407 348657069 /nfs/dbraw/zinc/65/70/69/348657069.db2.gz WZVYNVUYSZKSAC-INIZCTEOSA-N 1 1 260.381 2.766 20 30 CFEDMO N#CCC[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000564873758 348661469 /nfs/dbraw/zinc/66/14/69/348661469.db2.gz SIKFZOIYJDMWQF-JTQLQIEISA-N 1 1 267.735 2.561 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451699550 348622101 /nfs/dbraw/zinc/62/21/01/348622101.db2.gz VPGGTBDJONGGQA-RBSFLKMASA-N 1 1 264.413 2.799 20 30 CFEDMO CCCCCCC[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000584650074 348701939 /nfs/dbraw/zinc/70/19/39/348701939.db2.gz SJDMPLAFXXSRLA-AWEZNQCLSA-N 1 1 269.433 2.692 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CCCCCC#N)C1 ZINC000588295448 348782820 /nfs/dbraw/zinc/78/28/20/348782820.db2.gz JWMQZAUNDOUJDI-IYBDPMFKSA-N 1 1 293.455 2.945 20 30 CFEDMO CC[C@](C)(C#N)C(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000586754900 348747867 /nfs/dbraw/zinc/74/78/67/348747867.db2.gz COLOTOWVAPIWQW-QGZVFWFLSA-N 1 1 296.374 2.737 20 30 CFEDMO COc1cccc(OC)c1C[NH2+]Cc1ccc(C#N)cc1 ZINC000586776388 348750195 /nfs/dbraw/zinc/75/01/95/348750195.db2.gz NGZFTDOWKXNZKJ-UHFFFAOYSA-N 1 1 282.343 2.865 20 30 CFEDMO CC[C@@](C)(C#N)c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000589136901 348813429 /nfs/dbraw/zinc/81/34/29/348813429.db2.gz NUILYMAKDLHBFV-YEWTVFCHSA-N 1 1 274.368 2.601 20 30 CFEDMO CCOC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)o1 ZINC000589198024 348818848 /nfs/dbraw/zinc/81/88/48/348818848.db2.gz RKZIGQVJGRGLCX-UHFFFAOYSA-N 1 1 298.342 2.926 20 30 CFEDMO C[C@@H](C[NH+]1CCN(CCC#N)CC1)c1cccc(Cl)c1 ZINC000589257532 348822492 /nfs/dbraw/zinc/82/24/92/348822492.db2.gz IOTVZVHVCIEAHU-AWEZNQCLSA-N 1 1 291.826 2.975 20 30 CFEDMO COCC[N@@H+](CCC#N)C[C@H]1CC(C)=C[C@H](C)C1 ZINC000589498531 348835729 /nfs/dbraw/zinc/83/57/29/348835729.db2.gz XWTQNHMEQJJMGV-DZGCQCFKSA-N 1 1 250.386 2.841 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(C#N)nc2ccccc21 ZINC000589571674 348838866 /nfs/dbraw/zinc/83/88/66/348838866.db2.gz FZDXWQGQQIXUIT-CYBMUJFWSA-N 1 1 282.391 2.671 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2cscc2C#N)C1 ZINC000590315279 348893160 /nfs/dbraw/zinc/89/31/60/348893160.db2.gz BRMRRTFLXKPQRS-HNNXBMFYSA-N 1 1 297.383 2.536 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2cscc2C#N)C1 ZINC000590315279 348893164 /nfs/dbraw/zinc/89/31/64/348893164.db2.gz BRMRRTFLXKPQRS-HNNXBMFYSA-N 1 1 297.383 2.536 20 30 CFEDMO CC[N@H+](Cc1cccc(F)c1C#N)C[C@H]1CCOC1 ZINC000589983451 348867429 /nfs/dbraw/zinc/86/74/29/348867429.db2.gz JKFRWYOOAIUSDY-GFCCVEGCSA-N 1 1 262.328 2.556 20 30 CFEDMO C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000590162974 348880802 /nfs/dbraw/zinc/88/08/02/348880802.db2.gz IRTUNQOHEKWERL-RHSMWYFYSA-N 1 1 297.402 2.703 20 30 CFEDMO CO[C@]1(C(F)(F)F)CCC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000590175423 348882628 /nfs/dbraw/zinc/88/26/28/348882628.db2.gz OOLJRPOBUSEQRS-QJPTWQEYSA-N 1 1 276.302 2.722 20 30 CFEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nc(C#N)c(Cl)s2)C1 ZINC000590577381 348910662 /nfs/dbraw/zinc/91/06/62/348910662.db2.gz APKMAFDDSOBBPM-SNVBAGLBSA-N 1 1 298.843 2.836 20 30 CFEDMO N#CCC[N@@H+](Cc1cc2cccnc2o1)CC1CC1 ZINC000590638870 348919687 /nfs/dbraw/zinc/91/96/87/348919687.db2.gz GIGCOGRDNONLJF-UHFFFAOYSA-N 1 1 255.321 2.953 20 30 CFEDMO N#CCC[N@H+](Cc1cc2cccnc2o1)CC1CC1 ZINC000590638870 348919688 /nfs/dbraw/zinc/91/96/88/348919688.db2.gz GIGCOGRDNONLJF-UHFFFAOYSA-N 1 1 255.321 2.953 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000591022896 348979845 /nfs/dbraw/zinc/97/98/45/348979845.db2.gz TVIZKIVAQRYVTC-QLFBSQMISA-N 1 1 250.386 2.817 20 30 CFEDMO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC[C@H](C#N)CCC#N)C1 ZINC000591728110 349040681 /nfs/dbraw/zinc/04/06/81/349040681.db2.gz YBYVONJLXGNBIC-ZACQAIPSSA-N 1 1 290.455 2.778 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+][C@H](CCCO)c1ccccc1 ZINC000591756025 349042121 /nfs/dbraw/zinc/04/21/21/349042121.db2.gz IZQCLLWJKIXXDU-GDBMZVCRSA-N 1 1 271.364 2.533 20 30 CFEDMO N#Cc1ccc2ncc(C[N@H+]3CC[C@@H](C4CCC4)C3)n2c1 ZINC000591267792 349005321 /nfs/dbraw/zinc/00/53/21/349005321.db2.gz VBHJUVHPTCNCLF-OAHLLOKOSA-N 1 1 280.375 2.828 20 30 CFEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCNC1CC1 ZINC000591577334 349030972 /nfs/dbraw/zinc/03/09/72/349030972.db2.gz RSBKUNGSFCHBKU-KRWDZBQOSA-N 1 1 269.392 2.667 20 30 CFEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1 ZINC000668704100 539705412 /nfs/dbraw/zinc/70/54/12/539705412.db2.gz BVZNXMIKFUONJI-HZPDHXFCSA-N 1 1 273.376 2.720 20 30 CFEDMO N#Cc1cnccc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000592064107 349076971 /nfs/dbraw/zinc/07/69/71/349076971.db2.gz LVJMJEKEEVXHLM-UHFFFAOYSA-N 1 1 292.386 2.666 20 30 CFEDMO N#Cc1cnccc1C[N@H+]1CCCN(c2ccccc2)CC1 ZINC000592064107 349076976 /nfs/dbraw/zinc/07/69/76/349076976.db2.gz LVJMJEKEEVXHLM-UHFFFAOYSA-N 1 1 292.386 2.666 20 30 CFEDMO COc1ccc([C@H]2CC[N@@H+](Cc3ccncc3C#N)C2)cc1 ZINC000592066106 349078389 /nfs/dbraw/zinc/07/83/89/349078389.db2.gz IBCBSPKJGRPGSE-INIZCTEOSA-N 1 1 293.370 2.951 20 30 CFEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@H+](C)Cc1ccncc1C#N ZINC000592081920 349080452 /nfs/dbraw/zinc/08/04/52/349080452.db2.gz DWEJRIFXRQCMAB-HOTGVXAUSA-N 1 1 287.407 2.979 20 30 CFEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1ccncc1C#N ZINC000592081920 349080454 /nfs/dbraw/zinc/08/04/54/349080454.db2.gz DWEJRIFXRQCMAB-HOTGVXAUSA-N 1 1 287.407 2.979 20 30 CFEDMO CCC[N@@H+](Cc1ccncc1C#N)C[C@@H]1CCCCO1 ZINC000592080129 349080826 /nfs/dbraw/zinc/08/08/26/349080826.db2.gz OSMOUHOKMYEVST-INIZCTEOSA-N 1 1 273.380 2.734 20 30 CFEDMO CCC[N@H+](Cc1ccncc1C#N)C[C@@H]1CCCCO1 ZINC000592080129 349080827 /nfs/dbraw/zinc/08/08/27/349080827.db2.gz OSMOUHOKMYEVST-INIZCTEOSA-N 1 1 273.380 2.734 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccncc2C#N)[C@@H]2CCCC[C@H]21 ZINC000592101949 349083485 /nfs/dbraw/zinc/08/34/85/349083485.db2.gz VCNOQGSMGJYNBD-UHOFOFEASA-N 1 1 255.365 2.964 20 30 CFEDMO CC(C)(CO)[C@H]([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592115713 349085475 /nfs/dbraw/zinc/08/54/75/349085475.db2.gz AUQOFNGZMSGKFL-QGZVFWFLSA-N 1 1 295.386 2.803 20 30 CFEDMO C[C@H]([NH2+]Cc1ccncc1C#N)[C@@H]1OCCc2sccc21 ZINC000592122204 349085794 /nfs/dbraw/zinc/08/57/94/349085794.db2.gz HTTUFHRGMHZGOT-ZBEGNZNMSA-N 1 1 299.399 2.807 20 30 CFEDMO N#C[C@H]1CC[C@@H]([N@H+]2CC[C@H](Oc3ccccc3)C2)C1 ZINC000592136412 349089134 /nfs/dbraw/zinc/08/91/34/349089134.db2.gz SXEWHFXOEXBJKU-LZWOXQAQSA-N 1 1 256.349 2.832 20 30 CFEDMO C[C@H](CCSc1ccccc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151474 349091842 /nfs/dbraw/zinc/09/18/42/349091842.db2.gz MGRPSHYCUWPDQO-ZBFHGGJFSA-N 1 1 290.432 2.908 20 30 CFEDMO N#CC[C@@]1(O)CC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000592152175 349092184 /nfs/dbraw/zinc/09/21/84/349092184.db2.gz UHIIVZAUTVJUPZ-WXRRBKDZSA-N 1 1 290.329 2.706 20 30 CFEDMO CC(C)Cc1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592152152 349092749 /nfs/dbraw/zinc/09/27/49/349092749.db2.gz VBIBKHSXSMOKRC-KRWDZBQOSA-N 1 1 272.392 2.736 20 30 CFEDMO N#CC1(C[N@@H+]2CCC[C@H](O)[C@@H]2CCc2ccccc2)CC1 ZINC000592165159 349094686 /nfs/dbraw/zinc/09/46/86/349094686.db2.gz AEGCAZCJTCJNAD-IRXDYDNUSA-N 1 1 284.403 2.748 20 30 CFEDMO N#CC1(C[NH2+][C@H](c2ccccc2)C2(CO)CC=CC2)CC1 ZINC000592176803 349095210 /nfs/dbraw/zinc/09/52/10/349095210.db2.gz DXGKMAARZMHPNC-MRXNPFEDSA-N 1 1 282.387 2.950 20 30 CFEDMO Cc1[nH]c2nc[nH+]c(N3CCC(CC#N)CC3)c2c1C ZINC000591929716 349061655 /nfs/dbraw/zinc/06/16/55/349061655.db2.gz WMGXKNDIOLWFOF-UHFFFAOYSA-N 1 1 269.352 2.705 20 30 CFEDMO N#CC[C@@]1(O)CC[N@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000592521886 349132160 /nfs/dbraw/zinc/13/21/60/349132160.db2.gz CUADGMANWCRFLR-OAHLLOKOSA-N 1 1 290.750 2.937 20 30 CFEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2c(Cl)oc3ccccc32)C1 ZINC000592521886 349132165 /nfs/dbraw/zinc/13/21/65/349132165.db2.gz CUADGMANWCRFLR-OAHLLOKOSA-N 1 1 290.750 2.937 20 30 CFEDMO COc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)c2ccccc12 ZINC000592523703 349133608 /nfs/dbraw/zinc/13/36/08/349133608.db2.gz RFXFBBOBFOGYHK-GOSISDBHSA-N 1 1 296.370 2.699 20 30 CFEDMO CC[C@@H](C[N@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592523316 349133731 /nfs/dbraw/zinc/13/37/31/349133731.db2.gz YFBVOFRYQZEZFA-HOCLYGCPSA-N 1 1 258.365 2.531 20 30 CFEDMO CC(C)Oc1ccnc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000593022464 349188965 /nfs/dbraw/zinc/18/89/65/349188965.db2.gz ZNZUUQSGMXWNSF-UHFFFAOYSA-N 1 1 273.380 2.994 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000593024971 349190004 /nfs/dbraw/zinc/19/00/04/349190004.db2.gz MHAUZIFILIOXPG-GXTWGEPZSA-N 1 1 271.320 2.841 20 30 CFEDMO C[C@@H](CCO)[N@H+](C)Cc1cc(C#N)ccc1Br ZINC000593107456 349210689 /nfs/dbraw/zinc/21/06/89/349210689.db2.gz DEOQSGZJOIUVHA-JTQLQIEISA-N 1 1 297.196 2.523 20 30 CFEDMO C[C@@H](CCO)[N@@H+](C)Cc1cc(C#N)ccc1Br ZINC000593107456 349210692 /nfs/dbraw/zinc/21/06/92/349210692.db2.gz DEOQSGZJOIUVHA-JTQLQIEISA-N 1 1 297.196 2.523 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1F ZINC000593115268 349211762 /nfs/dbraw/zinc/21/17/62/349211762.db2.gz BVLCSTQXGBDRJY-CYBMUJFWSA-N 1 1 266.266 2.928 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)ccc1F ZINC000593117304 349213003 /nfs/dbraw/zinc/21/30/03/349213003.db2.gz LVHSNCSHYBKPDT-CYBMUJFWSA-N 1 1 266.266 2.928 20 30 CFEDMO C[C@@H]1C[N@@H+](CCOCCC#N)CCc2ccc(F)cc21 ZINC000593119218 349214058 /nfs/dbraw/zinc/21/40/58/349214058.db2.gz YUXNIYUXJGVMEW-CYBMUJFWSA-N 1 1 276.355 2.718 20 30 CFEDMO N#CCc1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000593118289 349214709 /nfs/dbraw/zinc/21/47/09/349214709.db2.gz PMLABGZDXKRMMQ-CQSZACIVSA-N 1 1 262.303 2.984 20 30 CFEDMO CC[N@@H+](CCCNC(=O)CCCC#N)C1CCCCC1 ZINC000593253624 349235462 /nfs/dbraw/zinc/23/54/62/349235462.db2.gz VDVPWDRVTYFJEN-UHFFFAOYSA-N 1 1 279.428 2.841 20 30 CFEDMO CN(C(=O)C[N@H+]1CCC12CCCC2)C1(C#N)CCCCC1 ZINC000593040626 349192599 /nfs/dbraw/zinc/19/25/99/349192599.db2.gz WXANGBHYQVBZKH-UHFFFAOYSA-N 1 1 289.423 2.690 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000593055866 349196148 /nfs/dbraw/zinc/19/61/48/349196148.db2.gz SITFIJSJMGQMIV-INIZCTEOSA-N 1 1 288.391 2.956 20 30 CFEDMO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000593057701 349196927 /nfs/dbraw/zinc/19/69/27/349196927.db2.gz HDLUTZFRXMNEGO-CVEARBPZSA-N 1 1 288.391 2.956 20 30 CFEDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1Cc1ccc(C#N)cc1OC ZINC000593057701 349196932 /nfs/dbraw/zinc/19/69/32/349196932.db2.gz HDLUTZFRXMNEGO-CVEARBPZSA-N 1 1 288.391 2.956 20 30 CFEDMO C[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)C2(CCC2)CO1 ZINC000593091656 349206909 /nfs/dbraw/zinc/20/69/09/349206909.db2.gz JKWUHPMONYSNGF-HNNXBMFYSA-N 1 1 292.423 2.730 20 30 CFEDMO CC(C)C[N@@H+](C)CCCNCc1ccc(C#N)s1 ZINC000593646750 349302877 /nfs/dbraw/zinc/30/28/77/349302877.db2.gz QRIKBYRKDBLGIH-UHFFFAOYSA-N 1 1 265.426 2.687 20 30 CFEDMO CC[C@@H](C#N)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000593616546 349299731 /nfs/dbraw/zinc/29/97/31/349299731.db2.gz NSVISZKJACEVHL-DOTOQJQBSA-N 1 1 299.418 2.563 20 30 CFEDMO CC[C@H](C#N)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000593385591 349257434 /nfs/dbraw/zinc/25/74/34/349257434.db2.gz BLRCGPNUBZACTN-BXUZGUMPSA-N 1 1 293.798 2.609 20 30 CFEDMO CC[C@@H](C#N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000593417561 349264910 /nfs/dbraw/zinc/26/49/10/349264910.db2.gz WECOTEXIJPLBGB-INIZCTEOSA-N 1 1 291.439 2.651 20 30 CFEDMO CC(C)C[N@@H+](CC[C@@H]1CCNC1=O)Cc1ccc(C#N)cc1 ZINC000593951498 349338569 /nfs/dbraw/zinc/33/85/69/349338569.db2.gz BLXFRGSSJWAZEE-KRWDZBQOSA-N 1 1 299.418 2.542 20 30 CFEDMO C[C@@H]1CN(Cc2ccc(C#N)s2)CC[N@H+](C2CCC2)C1 ZINC000593992571 349347755 /nfs/dbraw/zinc/34/77/55/349347755.db2.gz UQXVYLCLVBCXPT-CYBMUJFWSA-N 1 1 289.448 2.926 20 30 CFEDMO Cn1cc([C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)CC2(C)C)cn1 ZINC000593998776 349349302 /nfs/dbraw/zinc/34/93/02/349349302.db2.gz YOSYKLQOKAFNJC-YUELXQCFSA-N 1 1 272.396 2.538 20 30 CFEDMO COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000594015716 349353677 /nfs/dbraw/zinc/35/36/77/349353677.db2.gz PSZFTXBUDZHETF-KRWDZBQOSA-N 1 1 288.391 2.669 20 30 CFEDMO Cc1nc2ccccn2c1C[NH2+]CC1(C#N)CCCC1 ZINC000593652843 349304205 /nfs/dbraw/zinc/30/42/05/349304205.db2.gz QYCFOEZIGQLHRB-UHFFFAOYSA-N 1 1 268.364 2.816 20 30 CFEDMO COc1cc(C[NH2+]CC2(C#N)CCCC2)cc(OC)c1O ZINC000593654511 349304783 /nfs/dbraw/zinc/30/47/83/349304783.db2.gz FGCRBTLNDNZPBF-UHFFFAOYSA-N 1 1 290.363 2.583 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)s1 ZINC000593696887 349311197 /nfs/dbraw/zinc/31/11/97/349311197.db2.gz IHDOLTJKVSRXEO-LLVKDONJSA-N 1 1 254.305 2.851 20 30 CFEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CCCCC#N)C1 ZINC000594302386 349405732 /nfs/dbraw/zinc/40/57/32/349405732.db2.gz HOKHKJBZIMAUNB-KRWDZBQOSA-N 1 1 299.418 2.803 20 30 CFEDMO CCOC(=O)CC[N@@H+](Cc1ccc(C#N)c(F)c1)C(C)C ZINC000594050184 349364108 /nfs/dbraw/zinc/36/41/08/349364108.db2.gz BZXJAHVSDXFPSO-UHFFFAOYSA-N 1 1 292.354 2.861 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000594052920 349365254 /nfs/dbraw/zinc/36/52/54/349365254.db2.gz JHRZWOBAPPXVAV-MRXNPFEDSA-N 1 1 291.439 2.793 20 30 CFEDMO CCOC(=O)CC[N@@H+](CC#Cc1ccc(F)cc1)C(C)C ZINC000594055258 349365868 /nfs/dbraw/zinc/36/58/68/349365868.db2.gz YGISFSOZMQBSCO-UHFFFAOYSA-N 1 1 291.366 2.841 20 30 CFEDMO N#Cc1cccc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594059046 349367009 /nfs/dbraw/zinc/36/70/09/349367009.db2.gz ONDFKIQSEYBMPH-HOTGVXAUSA-N 1 1 298.390 2.697 20 30 CFEDMO C[N@H+]1CC[C@H](NC(=O)CCCCC#N)[C@@H]1c1ccccc1 ZINC000594333150 349408284 /nfs/dbraw/zinc/40/82/84/349408284.db2.gz WFKCZXQSZPMUEB-RDJZCZTQSA-N 1 1 285.391 2.632 20 30 CFEDMO N#Cc1ccc(C[N@@H+](Cc2cnn3c2CCC3)C2CC2)cc1 ZINC000596980022 350011084 /nfs/dbraw/zinc/01/10/84/350011084.db2.gz SCYXPAJYYAVYEW-UHFFFAOYSA-N 1 1 292.386 2.866 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000596983434 350011589 /nfs/dbraw/zinc/01/15/89/350011589.db2.gz YVAZROLEPOZGJL-MRXNPFEDSA-N 1 1 270.376 2.853 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000596983434 350011592 /nfs/dbraw/zinc/01/15/92/350011592.db2.gz YVAZROLEPOZGJL-MRXNPFEDSA-N 1 1 270.376 2.853 20 30 CFEDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597012203 350016380 /nfs/dbraw/zinc/01/63/80/350016380.db2.gz PJEJPXQFQVCMGH-INIZCTEOSA-N 1 1 298.386 2.769 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000597088068 350029151 /nfs/dbraw/zinc/02/91/51/350029151.db2.gz YMQSILAJAXBZRQ-GOEBONIOSA-N 1 1 274.364 2.636 20 30 CFEDMO C[N@H+]1C[C@@H](CNC(=O)CCCCC#N)[C@H](c2ccccc2)C1 ZINC000594373746 349412022 /nfs/dbraw/zinc/41/20/22/349412022.db2.gz FPCCSRXYLLAOCK-SJORKVTESA-N 1 1 299.418 2.532 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594422277 349417279 /nfs/dbraw/zinc/41/72/79/349417279.db2.gz KQVXUOPZEKUSEQ-KRWDZBQOSA-N 1 1 297.402 2.665 20 30 CFEDMO N#CC1(c2ccc(C[N@H+]3CC[C@H](n4cccn4)C3)cc2)CC1 ZINC000597133603 350036237 /nfs/dbraw/zinc/03/62/37/350036237.db2.gz WSVGCMUPTOTWEF-KRWDZBQOSA-N 1 1 292.386 2.885 20 30 CFEDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597152787 350040174 /nfs/dbraw/zinc/04/01/74/350040174.db2.gz DIEGFLPAWXMZNB-CZUORRHYSA-N 1 1 270.376 2.587 20 30 CFEDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597153969 350040379 /nfs/dbraw/zinc/04/03/79/350040379.db2.gz MHBCPRIIEQUUNT-GOEBONIOSA-N 1 1 284.403 2.692 20 30 CFEDMO COC(=O)c1oc(C[NH2+]Cc2ccc(C#N)s2)cc1C ZINC000597154891 350040390 /nfs/dbraw/zinc/04/03/90/350040390.db2.gz RVBSYRAZUHENIP-UHFFFAOYSA-N 1 1 290.344 2.598 20 30 CFEDMO C[C@@H](CC#N)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000597160236 350042128 /nfs/dbraw/zinc/04/21/28/350042128.db2.gz ARCYTSILEQGNPD-HNNXBMFYSA-N 1 1 299.418 2.659 20 30 CFEDMO CC(C)(C)c1ncc(C[N@@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC000597176251 350044662 /nfs/dbraw/zinc/04/46/62/350044662.db2.gz GXRFQTLTQJIUEW-ZDUSSCGKSA-N 1 1 272.396 2.900 20 30 CFEDMO CC(C)(C)c1ncc(C[N@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC000597176251 350044666 /nfs/dbraw/zinc/04/46/66/350044666.db2.gz GXRFQTLTQJIUEW-ZDUSSCGKSA-N 1 1 272.396 2.900 20 30 CFEDMO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000597178137 350045371 /nfs/dbraw/zinc/04/53/71/350045371.db2.gz VYORLZHSAVHQDF-LBPRGKRZSA-N 1 1 262.328 2.960 20 30 CFEDMO COc1ccc(F)c(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000597178137 350045372 /nfs/dbraw/zinc/04/53/72/350045372.db2.gz VYORLZHSAVHQDF-LBPRGKRZSA-N 1 1 262.328 2.960 20 30 CFEDMO COc1cc(C[N@H+]2CC[C@@H](C)O[C@@H](C)C2)ccc1C#N ZINC000597226710 350063103 /nfs/dbraw/zinc/06/31/03/350063103.db2.gz WQDSWJSFRINCQU-OLZOCXBDSA-N 1 1 274.364 2.566 20 30 CFEDMO COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000597231364 350065369 /nfs/dbraw/zinc/06/53/69/350065369.db2.gz LWFUAVHVSMVDME-WMLDXEAASA-N 1 1 288.391 2.836 20 30 CFEDMO COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000597231364 350065372 /nfs/dbraw/zinc/06/53/72/350065372.db2.gz LWFUAVHVSMVDME-WMLDXEAASA-N 1 1 288.391 2.836 20 30 CFEDMO Cn1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c(-c2ccccc2)n1 ZINC000597233026 350066853 /nfs/dbraw/zinc/06/68/53/350066853.db2.gz ZJIYIWMECMBGAG-QGZVFWFLSA-N 1 1 280.375 2.823 20 30 CFEDMO Cn1cc(C[N@H+]2CC[C@](C)(C#N)C2)c(-c2ccccc2)n1 ZINC000597233026 350066855 /nfs/dbraw/zinc/06/68/55/350066855.db2.gz ZJIYIWMECMBGAG-QGZVFWFLSA-N 1 1 280.375 2.823 20 30 CFEDMO COc1cc(C[N@@H+](C)CC2=CCSC2)ccc1C#N ZINC000597243878 350071340 /nfs/dbraw/zinc/07/13/40/350071340.db2.gz IMCHVWKQQZHKLP-UHFFFAOYSA-N 1 1 274.389 2.672 20 30 CFEDMO C[C@H](CC#N)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000597484021 350103196 /nfs/dbraw/zinc/10/31/96/350103196.db2.gz RXCIDEWJZBOBBA-HLLBOEOZSA-N 1 1 299.418 2.563 20 30 CFEDMO C[C@H](CC#N)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000597328038 350084199 /nfs/dbraw/zinc/08/41/99/350084199.db2.gz IWLNZPSXWYNHKH-NVXWUHKLSA-N 1 1 299.418 2.659 20 30 CFEDMO C[C@H](CC#N)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000597334001 350084820 /nfs/dbraw/zinc/08/48/20/350084820.db2.gz QMKOBYLISHKZSL-CVEARBPZSA-N 1 1 299.418 2.659 20 30 CFEDMO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000090720509 180030879 /nfs/dbraw/zinc/03/08/79/180030879.db2.gz KXXGQHSCNPEDRQ-GOEBONIOSA-N 1 1 274.408 2.824 20 30 CFEDMO C=CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000090720509 180030881 /nfs/dbraw/zinc/03/08/81/180030881.db2.gz KXXGQHSCNPEDRQ-GOEBONIOSA-N 1 1 274.408 2.824 20 30 CFEDMO C=CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000090720509 180030882 /nfs/dbraw/zinc/03/08/82/180030882.db2.gz KXXGQHSCNPEDRQ-GOEBONIOSA-N 1 1 274.408 2.824 20 30 CFEDMO CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@H](CC#N)C1)c1ccccc1 ZINC000597913972 350156804 /nfs/dbraw/zinc/15/68/04/350156804.db2.gz SKHJQRZKPIJVFE-NVXWUHKLSA-N 1 1 299.418 2.832 20 30 CFEDMO N#CC1(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000598217768 350217452 /nfs/dbraw/zinc/21/74/52/350217452.db2.gz BGSGJZZLWWAELU-AWEZNQCLSA-N 1 1 289.423 2.594 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000105457203 186058351 /nfs/dbraw/zinc/05/83/51/186058351.db2.gz FXVXWHLWOATRPB-KRWDZBQOSA-N 1 1 271.408 2.768 20 30 CFEDMO CC(C)[N@@H+]1CCC[C@@H](CNCc2cccc(C#N)c2)C1 ZINC000105457203 186058353 /nfs/dbraw/zinc/05/83/53/186058353.db2.gz FXVXWHLWOATRPB-KRWDZBQOSA-N 1 1 271.408 2.768 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H](CNCc2cccc(C#N)c2)C1 ZINC000105457203 186058354 /nfs/dbraw/zinc/05/83/54/186058354.db2.gz FXVXWHLWOATRPB-KRWDZBQOSA-N 1 1 271.408 2.768 20 30 CFEDMO C[C@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)CCc2ccccc21 ZINC000598622841 350295754 /nfs/dbraw/zinc/29/57/54/350295754.db2.gz OBFYKQDUTJOYBH-GOEBONIOSA-N 1 1 286.419 2.949 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000598625706 350296720 /nfs/dbraw/zinc/29/67/20/350296720.db2.gz QMDANVJXSRFTBG-IHRRRGAJSA-N 1 1 250.386 2.552 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000598628594 350297199 /nfs/dbraw/zinc/29/71/99/350297199.db2.gz QAXWMNSYEXQUKT-BFHRDPOASA-N 1 1 284.403 2.908 20 30 CFEDMO Cc1nccnc1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000598635253 350298008 /nfs/dbraw/zinc/29/80/08/350298008.db2.gz QQGVJDPREHXGID-NSHDSACASA-N 1 1 252.321 2.508 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@@H]1CO ZINC000598646956 350301054 /nfs/dbraw/zinc/30/10/54/350301054.db2.gz BHSYCVXABMNBMO-GOEBONIOSA-N 1 1 286.419 2.938 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CC(C)(C)CC[C@H]1CO ZINC000598648552 350302226 /nfs/dbraw/zinc/30/22/26/350302226.db2.gz PNUNVNHGRXYVEA-INIZCTEOSA-N 1 1 272.392 2.850 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598651826 350303322 /nfs/dbraw/zinc/30/33/22/350303322.db2.gz WGBTYRKQBYVZNM-WWGRRREGSA-N 1 1 258.365 2.570 20 30 CFEDMO CCOc1cncc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000598674260 350307132 /nfs/dbraw/zinc/30/71/32/350307132.db2.gz OQZJNTQOOZPWQI-ZDUSSCGKSA-N 1 1 259.353 2.606 20 30 CFEDMO CCOc1cncc(C[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000598674260 350307135 /nfs/dbraw/zinc/30/71/35/350307135.db2.gz OQZJNTQOOZPWQI-ZDUSSCGKSA-N 1 1 259.353 2.606 20 30 CFEDMO CCCc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)s1 ZINC000598676358 350308124 /nfs/dbraw/zinc/30/81/24/350308124.db2.gz OSKQYXKACFICQW-CQSZACIVSA-N 1 1 264.394 2.551 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCC1(C#N)CCCCC1 ZINC000598772760 350327209 /nfs/dbraw/zinc/32/72/09/350327209.db2.gz FQQPUFSSIHEXGW-HNNXBMFYSA-N 1 1 291.439 2.841 20 30 CFEDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)CC(C)(C)C#N)CC12CCC2 ZINC000598704146 350313459 /nfs/dbraw/zinc/31/34/59/350313459.db2.gz FEQFRBRAEGPYLB-KGLIPLIRSA-N 1 1 264.413 2.798 20 30 CFEDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC12CC=CC2 ZINC000598706253 350314691 /nfs/dbraw/zinc/31/46/91/350314691.db2.gz PTSDLTYROZZKMD-LSDHHAIUSA-N 1 1 276.424 2.964 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000598585737 350286284 /nfs/dbraw/zinc/28/62/84/350286284.db2.gz KMEKPMGRMBWIEA-CABCVRRESA-N 1 1 264.413 2.942 20 30 CFEDMO C[N@@H+](CCc1ccc(F)cc1)C[C@@H](O)CC(C)(C)C#N ZINC000598587670 350286563 /nfs/dbraw/zinc/28/65/63/350286563.db2.gz UVRLQBVFKDFPDN-HNNXBMFYSA-N 1 1 278.371 2.601 20 30 CFEDMO CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CCCCC1 ZINC000598590108 350287094 /nfs/dbraw/zinc/28/70/94/350287094.db2.gz QRMXDRCTOJCARX-CQSZACIVSA-N 1 1 252.402 2.942 20 30 CFEDMO CC(C)C[C@@H]1CCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598588621 350287124 /nfs/dbraw/zinc/28/71/24/350287124.db2.gz AAUFCNCIIXHZCW-KBPBESRZSA-N 1 1 252.402 2.798 20 30 CFEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598591822 350287993 /nfs/dbraw/zinc/28/79/93/350287993.db2.gz CEKLJQWMHMRPPJ-CJNGLKHVSA-N 1 1 290.407 2.556 20 30 CFEDMO C[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598592370 350288369 /nfs/dbraw/zinc/28/83/69/350288369.db2.gz KCRIDFNQCVPYNZ-BBRMVZONSA-N 1 1 272.392 2.734 20 30 CFEDMO C[C@H]1c2ccccc2OCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598594833 350289091 /nfs/dbraw/zinc/28/90/91/350289091.db2.gz DTRZSZFYAPFVHZ-KBPBESRZSA-N 1 1 288.391 2.743 20 30 CFEDMO C[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC12CCC2 ZINC000598598549 350289837 /nfs/dbraw/zinc/28/98/37/350289837.db2.gz AZQYQJUSPRXXJJ-KGLIPLIRSA-N 1 1 264.413 2.799 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000598598944 350291136 /nfs/dbraw/zinc/29/11/36/350291136.db2.gz JZAYMDAXHUJDKS-HUUCEWRRSA-N 1 1 273.380 2.519 20 30 CFEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)C[C@H]1CC=CCC1 ZINC000598601486 350292047 /nfs/dbraw/zinc/29/20/47/350292047.db2.gz FYWFCCLJJGWJET-UONOGXRCSA-N 1 1 250.386 2.575 20 30 CFEDMO C[C@@H]1Cc2[nH+]cn(C[C@H](O)CC(C)(C)C#N)c2C[C@@H]1C ZINC000598619650 350294541 /nfs/dbraw/zinc/29/45/41/350294541.db2.gz GJLHNUJLRMVYCT-FRRDWIJNSA-N 1 1 275.396 2.555 20 30 CFEDMO C[N@@H+](Cc1c(F)cccc1F)C[C@H](O)CC(C)(C)C#N ZINC000598618709 350294816 /nfs/dbraw/zinc/29/48/16/350294816.db2.gz PRLHEXYYJUFGTA-LLVKDONJSA-N 1 1 282.334 2.697 20 30 CFEDMO C[N@H+](Cc1c(F)cccc1F)C[C@H](O)CC(C)(C)C#N ZINC000598618709 350294820 /nfs/dbraw/zinc/29/48/20/350294820.db2.gz PRLHEXYYJUFGTA-LLVKDONJSA-N 1 1 282.334 2.697 20 30 CFEDMO CCN(C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H](C)C#N ZINC000598883778 350344398 /nfs/dbraw/zinc/34/43/98/350344398.db2.gz ZYFMTVKSRMCXLK-SMDDNHRTSA-N 1 1 293.798 2.703 20 30 CFEDMO COCC#CC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000677820104 539794778 /nfs/dbraw/zinc/79/47/78/539794778.db2.gz GIBKCJYWSOBLJS-XJKSGUPXSA-N 1 1 261.340 2.858 20 30 CFEDMO C[N@H+]1CCCC[C@@H](CNc2nc3ncccc3cc2C#N)C1 ZINC000599142346 350383776 /nfs/dbraw/zinc/38/37/76/350383776.db2.gz VQSSGVZGAAITIC-ZDUSSCGKSA-N 1 1 295.390 2.645 20 30 CFEDMO CC(C)CC[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C1CC1 ZINC000599266619 350402596 /nfs/dbraw/zinc/40/25/96/350402596.db2.gz NYOKKYASTMZFGM-INIZCTEOSA-N 1 1 294.439 2.568 20 30 CFEDMO COC(=O)CCCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000599271653 350404357 /nfs/dbraw/zinc/40/43/57/350404357.db2.gz INPJFUKPLFEHQK-UHFFFAOYSA-N 1 1 286.375 2.866 20 30 CFEDMO Cc1ccc(C[N@H+](C)Cc2ccccn2)cc1C#N ZINC000599431305 350435713 /nfs/dbraw/zinc/43/57/13/350435713.db2.gz DORBVPNMWSOZPW-UHFFFAOYSA-N 1 1 251.333 2.894 20 30 CFEDMO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C#N ZINC000599428812 350435884 /nfs/dbraw/zinc/43/58/84/350435884.db2.gz QCASCXKYYLBJNZ-SFHVURJKSA-N 1 1 283.419 2.784 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NCC(C)(C)C ZINC000599439943 350439560 /nfs/dbraw/zinc/43/95/60/350439560.db2.gz JZNXQBMAMKPSJJ-ZDUSSCGKSA-N 1 1 287.407 2.713 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NCC(C)(C)C ZINC000599439943 350439565 /nfs/dbraw/zinc/43/95/65/350439565.db2.gz JZNXQBMAMKPSJJ-ZDUSSCGKSA-N 1 1 287.407 2.713 20 30 CFEDMO C=CC[N@H+](Cc1cn(C)nc1C)Cc1ccc(OC)cc1 ZINC000092217477 180345238 /nfs/dbraw/zinc/34/52/38/180345238.db2.gz MADABDMZRGNLNR-UHFFFAOYSA-N 1 1 285.391 2.925 20 30 CFEDMO C=CC[N@@H+](Cc1cn(C)nc1C)Cc1ccc(OC)cc1 ZINC000092217477 180345240 /nfs/dbraw/zinc/34/52/40/180345240.db2.gz MADABDMZRGNLNR-UHFFFAOYSA-N 1 1 285.391 2.925 20 30 CFEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1C#N ZINC000599287909 350407059 /nfs/dbraw/zinc/40/70/59/350407059.db2.gz ZYHZXQKVNBAZHZ-ZIAGYGMSSA-N 1 1 298.308 2.754 20 30 CFEDMO Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1C#N ZINC000599287908 350407626 /nfs/dbraw/zinc/40/76/26/350407626.db2.gz ZYHZXQKVNBAZHZ-UONOGXRCSA-N 1 1 298.308 2.754 20 30 CFEDMO COC(=O)CCCC[N@@H+](CCC#N)CC(C)(C)C ZINC000599298801 350408879 /nfs/dbraw/zinc/40/88/79/350408879.db2.gz ZIFJMJHMCGBNKB-UHFFFAOYSA-N 1 1 254.374 2.591 20 30 CFEDMO Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)O)cc1C#N ZINC000599298282 350409463 /nfs/dbraw/zinc/40/94/63/350409463.db2.gz XHMWTBAICFKGAS-XJKSGUPXSA-N 1 1 258.365 2.602 20 30 CFEDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(C)c(C#N)c3)C2)[nH]1 ZINC000599308886 350411158 /nfs/dbraw/zinc/41/11/58/350411158.db2.gz CLQUFMACEGWHNV-HNNXBMFYSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(C)c(C#N)c3)C2)n1 ZINC000599308886 350411159 /nfs/dbraw/zinc/41/11/59/350411159.db2.gz CLQUFMACEGWHNV-HNNXBMFYSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(C)c(C#N)c3)C2)n1 ZINC000599308886 350411160 /nfs/dbraw/zinc/41/11/60/350411160.db2.gz CLQUFMACEGWHNV-HNNXBMFYSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(C)c(C#N)c3)C2)n[nH]1 ZINC000599308886 350411161 /nfs/dbraw/zinc/41/11/61/350411161.db2.gz CLQUFMACEGWHNV-HNNXBMFYSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(C)c(C#N)c3)C2)n[nH]1 ZINC000599308886 350411162 /nfs/dbraw/zinc/41/11/62/350411162.db2.gz CLQUFMACEGWHNV-HNNXBMFYSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1ccc(C[N@H+](CCC#N)CC2CC2)cc1C#N ZINC000599306690 350411201 /nfs/dbraw/zinc/41/12/01/350411201.db2.gz ARONCSZINIOAIL-UHFFFAOYSA-N 1 1 253.349 2.992 20 30 CFEDMO Cc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1C#N ZINC000599306690 350411202 /nfs/dbraw/zinc/41/12/02/350411202.db2.gz ARONCSZINIOAIL-UHFFFAOYSA-N 1 1 253.349 2.992 20 30 CFEDMO CCN1CCC([N@@H+](C)Cc2ccc(C)c(C#N)c2)CC1 ZINC000599314676 350412993 /nfs/dbraw/zinc/41/29/93/350412993.db2.gz HTHOWAGTXHXUQZ-UHFFFAOYSA-N 1 1 271.408 2.783 20 30 CFEDMO CC[NH+]1CCC(N(C)Cc2ccc(C)c(C#N)c2)CC1 ZINC000599314676 350412994 /nfs/dbraw/zinc/41/29/94/350412994.db2.gz HTHOWAGTXHXUQZ-UHFFFAOYSA-N 1 1 271.408 2.783 20 30 CFEDMO CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000599318174 350414071 /nfs/dbraw/zinc/41/40/71/350414071.db2.gz VVMLYUYXVYZPME-INIZCTEOSA-N 1 1 271.408 2.640 20 30 CFEDMO Cc1ccc(C[N@H+]2CC[C@H](C(F)F)C2)cc1C#N ZINC000599338443 350417754 /nfs/dbraw/zinc/41/77/54/350417754.db2.gz RPVPECHDKCLREA-LBPRGKRZSA-N 1 1 250.292 2.954 20 30 CFEDMO CCC[C@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599372535 350426181 /nfs/dbraw/zinc/42/61/81/350426181.db2.gz WBXFMWHPOVYXIA-JKSUJKDBSA-N 1 1 294.439 2.712 20 30 CFEDMO CCC[C@@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599372534 350426315 /nfs/dbraw/zinc/42/63/15/350426315.db2.gz WBXFMWHPOVYXIA-HZPDHXFCSA-N 1 1 294.439 2.712 20 30 CFEDMO COCC[N@H+](Cc1cccnc1)Cc1ccc(C)c(C#N)c1 ZINC000599378262 350427063 /nfs/dbraw/zinc/42/70/63/350427063.db2.gz JVLICPXKAGGHQD-UHFFFAOYSA-N 1 1 295.386 2.910 20 30 CFEDMO COCC[N@@H+](Cc1cccnc1)Cc1ccc(C)c(C#N)c1 ZINC000599378262 350427067 /nfs/dbraw/zinc/42/70/67/350427067.db2.gz JVLICPXKAGGHQD-UHFFFAOYSA-N 1 1 295.386 2.910 20 30 CFEDMO CC[C@]1(C)C[N@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599381871 350427460 /nfs/dbraw/zinc/42/74/60/350427460.db2.gz DEIGPWAGVLTMMT-MRXNPFEDSA-N 1 1 258.365 2.868 20 30 CFEDMO CC[C@]1(C)C[N@@H+](Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599381871 350427462 /nfs/dbraw/zinc/42/74/62/350427462.db2.gz DEIGPWAGVLTMMT-MRXNPFEDSA-N 1 1 258.365 2.868 20 30 CFEDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599382713 350427672 /nfs/dbraw/zinc/42/76/72/350427672.db2.gz UKCKHKHRTSASHW-INIZCTEOSA-N 1 1 258.365 2.604 20 30 CFEDMO Cc1ccc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1C#N ZINC000599391989 350430687 /nfs/dbraw/zinc/43/06/87/350430687.db2.gz OEEPCRORXBZJDV-GUYCJALGSA-N 1 1 270.376 2.866 20 30 CFEDMO Cc1ccc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)cc1C#N ZINC000599391989 350430691 /nfs/dbraw/zinc/43/06/91/350430691.db2.gz OEEPCRORXBZJDV-GUYCJALGSA-N 1 1 270.376 2.866 20 30 CFEDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599404921 350431621 /nfs/dbraw/zinc/43/16/21/350431621.db2.gz RFPGXBLNELKAKX-KRWDZBQOSA-N 1 1 299.418 2.747 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000599528066 350450381 /nfs/dbraw/zinc/45/03/81/350450381.db2.gz AUBOSAVJCMROCP-NSHDSACASA-N 1 1 286.335 2.869 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+](CC[S@](=O)c2ccccc2)C1 ZINC000599526099 350450561 /nfs/dbraw/zinc/45/05/61/350450561.db2.gz DSMPLFBQVMFTAD-KDOFPFPSSA-N 1 1 263.406 2.692 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000599526248 350450660 /nfs/dbraw/zinc/45/06/60/350450660.db2.gz IPBVPGAUHKTDGG-CQSZACIVSA-N 1 1 283.375 2.785 20 30 CFEDMO C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)CC1(C)COC1 ZINC000599571564 350457862 /nfs/dbraw/zinc/45/78/62/350457862.db2.gz LRPMNGDBPHZAAR-UHFFFAOYSA-N 1 1 272.392 2.956 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599589523 350460902 /nfs/dbraw/zinc/46/09/02/350460902.db2.gz MOVMHFDGPMSJDJ-MGPQQGTHSA-N 1 1 280.412 2.978 20 30 CFEDMO N#Cc1ccc(Cl)cc1NC(=O)C[NH+](C1CC1)C1CC1 ZINC000599598605 350462443 /nfs/dbraw/zinc/46/24/43/350462443.db2.gz GOISQJNTXKXLQW-UHFFFAOYSA-N 1 1 289.766 2.777 20 30 CFEDMO COC(=O)c1ccc(C[N@@H+](C)CCCC(C)(C)C#N)nc1 ZINC000599443446 350439768 /nfs/dbraw/zinc/43/97/68/350439768.db2.gz 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ZINC000599677661 350479794 /nfs/dbraw/zinc/47/97/94/350479794.db2.gz JHKGMLLCDGDYHZ-AWEZNQCLSA-N 1 1 292.386 2.970 20 30 CFEDMO Cc1cnc([C@H](C)[N@H+]2CCc3c(CC#N)cccc3C2)cn1 ZINC000599677661 350479798 /nfs/dbraw/zinc/47/97/98/350479798.db2.gz JHKGMLLCDGDYHZ-AWEZNQCLSA-N 1 1 292.386 2.970 20 30 CFEDMO COCC1(C[N@H+]2CCc3c(CC#N)cccc3C2)CCC1 ZINC000599677306 350479949 /nfs/dbraw/zinc/47/99/49/350479949.db2.gz DXIUNGRYAMHQPK-UHFFFAOYSA-N 1 1 284.403 2.927 20 30 CFEDMO N#CCc1cccc2c1CC[N@H+](Cc1ccc(CO)cc1)C2 ZINC000599677828 350479994 /nfs/dbraw/zinc/47/99/94/350479994.db2.gz PAVVYOYJDJMQGX-UHFFFAOYSA-N 1 1 292.382 2.803 20 30 CFEDMO CO[C@@H](C[N@H+]1CCc2c(CC#N)cccc2C1)C1CCC1 ZINC000599679134 350481103 /nfs/dbraw/zinc/48/11/03/350481103.db2.gz WKVBODAQZQXFEJ-SFHVURJKSA-N 1 1 284.403 2.926 20 30 CFEDMO C/C=C\C[C@@H]1CCC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000599691831 350484475 /nfs/dbraw/zinc/48/44/75/350484475.db2.gz SYUZCSLEXFASLF-BZOVTKSESA-N 1 1 291.439 2.719 20 30 CFEDMO COc1ccc([C@@H]([NH2+]C[C@H](C#N)CCC#N)C2CC2)cn1 ZINC000599701256 350485981 /nfs/dbraw/zinc/48/59/81/350485981.db2.gz SZBAKSYUHZVZRH-LRDDRELGSA-N 1 1 284.363 2.574 20 30 CFEDMO N#CC[C@@]1(O)CC[N@@H+](CCc2cccc(C(F)(F)F)c2)C1 ZINC000600168284 350528388 /nfs/dbraw/zinc/52/83/88/350528388.db2.gz VWVCJQLANDWNOF-CQSZACIVSA-N 1 1 298.308 2.598 20 30 CFEDMO CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000600167958 350528457 /nfs/dbraw/zinc/52/84/57/350528457.db2.gz VBUHDSLAEBCJQZ-KFWWJZLASA-N 1 1 250.386 2.553 20 30 CFEDMO N#CCCCOc1cccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000600189437 350535701 /nfs/dbraw/zinc/53/57/01/350535701.db2.gz GAASLABKBQBKGB-GASCZTMLSA-N 1 1 256.349 2.821 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)Cc1c[nH]nc1C ZINC000092505720 180398626 /nfs/dbraw/zinc/39/86/26/180398626.db2.gz VECWUCUXIDRLPM-UHFFFAOYSA-N 1 1 255.365 2.949 20 30 CFEDMO C[C@@]1(C#N)CCC[N@H+](Cc2cccc3n[nH]cc32)C1 ZINC000600144157 350519611 /nfs/dbraw/zinc/51/96/11/350519611.db2.gz IQIJSXPHCPYABK-HNNXBMFYSA-N 1 1 254.337 2.689 20 30 CFEDMO C[C@@]1(C#N)CCC[N@@H+](Cc2cccc3n[nH]cc32)C1 ZINC000600144157 350519613 /nfs/dbraw/zinc/51/96/13/350519613.db2.gz IQIJSXPHCPYABK-HNNXBMFYSA-N 1 1 254.337 2.689 20 30 CFEDMO N#Cc1csc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)n1 ZINC000600214824 350542189 /nfs/dbraw/zinc/54/21/89/350542189.db2.gz UTOSVKKUPHESQO-GFCCVEGCSA-N 1 1 285.372 2.710 20 30 CFEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)n1 ZINC000600214824 350542191 /nfs/dbraw/zinc/54/21/91/350542191.db2.gz UTOSVKKUPHESQO-GFCCVEGCSA-N 1 1 285.372 2.710 20 30 CFEDMO C[N@H+]1CCCC[C@@H](CNC(=O)CC2(C#N)CCCCC2)C1 ZINC000600315614 350548839 /nfs/dbraw/zinc/54/88/39/350548839.db2.gz VWUNULYXWFVKBT-HNNXBMFYSA-N 1 1 291.439 2.699 20 30 CFEDMO CC(=O)Nc1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000600859760 350619748 /nfs/dbraw/zinc/61/97/48/350619748.db2.gz LCRNOXJXNQOMFF-GOEBONIOSA-N 1 1 271.364 2.769 20 30 CFEDMO CC(=O)Nc1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000600859760 350619749 /nfs/dbraw/zinc/61/97/49/350619749.db2.gz LCRNOXJXNQOMFF-GOEBONIOSA-N 1 1 271.364 2.769 20 30 CFEDMO CCCC[N@@H+](CCOC)CCOc1ccc(C#N)cc1 ZINC000109333662 186248834 /nfs/dbraw/zinc/24/88/34/186248834.db2.gz KHXARIXWHVUIHS-UHFFFAOYSA-N 1 1 276.380 2.686 20 30 CFEDMO CCN(C(=O)[C@@H]1CCC[N@H+]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000110061202 186284060 /nfs/dbraw/zinc/28/40/60/186284060.db2.gz KKZCZZQYXLYWCL-BBRMVZONSA-N 1 1 285.391 2.562 20 30 CFEDMO C[C@@H](CNC(=O)c1ccccc1CC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000600998274 350643372 /nfs/dbraw/zinc/64/33/72/350643372.db2.gz UICYGVRXOOHENG-CABCVRRESA-N 1 1 299.418 2.603 20 30 CFEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccccc1CC#N ZINC000601011892 350645521 /nfs/dbraw/zinc/64/55/21/350645521.db2.gz VPVLKNAUCUJWQV-HUUCEWRRSA-N 1 1 299.418 2.603 20 30 CFEDMO Cc1ccc(C[N@H+]2CC[C@@H](Nc3cnccc3C#N)C2)cc1 ZINC000601250047 350709052 /nfs/dbraw/zinc/70/90/52/350709052.db2.gz JMEXZOCTBWPRDK-QGZVFWFLSA-N 1 1 292.386 2.948 20 30 CFEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2CC#N)C1 ZINC000601259474 350710923 /nfs/dbraw/zinc/71/09/23/350710923.db2.gz WJWDCFUUUXCHOB-HNNXBMFYSA-N 1 1 299.418 2.557 20 30 CFEDMO CC(C)[N@H+](C)C[C@@H](C)Nc1ncc(C#N)c2ccsc21 ZINC000601166528 350686793 /nfs/dbraw/zinc/68/67/93/350686793.db2.gz MONNGMAAVGQHHZ-LLVKDONJSA-N 1 1 288.420 2.730 20 30 CFEDMO CC1(C#N)CCC([N@@H+]2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000601316950 350723019 /nfs/dbraw/zinc/72/30/19/350723019.db2.gz RYTVHUDYYOUFSP-UHFFFAOYSA-N 1 1 297.402 2.808 20 30 CFEDMO CC1(C#N)CCC([N@H+]2CCN(c3ccccc3)C(=O)C2)CC1 ZINC000601316950 350723021 /nfs/dbraw/zinc/72/30/21/350723021.db2.gz RYTVHUDYYOUFSP-UHFFFAOYSA-N 1 1 297.402 2.808 20 30 CFEDMO CC(C)[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CC2)[C@@H]1C(C)C ZINC000601959048 350818614 /nfs/dbraw/zinc/81/86/14/350818614.db2.gz KNDSGYDRBVMRHB-QLFBSQMISA-N 1 1 264.413 2.654 20 30 CFEDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)CC2(C#N)CC2)CC12CCCC2 ZINC000601959576 350819537 /nfs/dbraw/zinc/81/95/37/350819537.db2.gz NDVTZJXBBRWGAJ-CABCVRRESA-N 1 1 276.424 2.942 20 30 CFEDMO CC(C)(C)c1ccc(C[NH2+]C[C@@H](C#N)CCC#N)c(=O)[nH]1 ZINC000601967593 350820935 /nfs/dbraw/zinc/82/09/35/350820935.db2.gz KPIFKYGQXZMWGM-GFCCVEGCSA-N 1 1 286.379 2.618 20 30 CFEDMO C[C@@H](NC(=O)[C@H]1CC[N@H+]1C1CCCC1)c1ccc(C#N)cc1 ZINC000602052719 350836715 /nfs/dbraw/zinc/83/67/15/350836715.db2.gz NQPSPRUIKBHHSY-CXAGYDPISA-N 1 1 297.402 2.752 20 30 CFEDMO CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000602083560 350838459 /nfs/dbraw/zinc/83/84/59/350838459.db2.gz MAPXLTDUNPBFQT-YOEHRIQHSA-N 1 1 299.418 2.952 20 30 CFEDMO C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000602096126 350839735 /nfs/dbraw/zinc/83/97/35/350839735.db2.gz IZDLAMWFQGHSKS-KBPBESRZSA-N 1 1 291.782 2.505 20 30 CFEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000602096126 350839737 /nfs/dbraw/zinc/83/97/37/350839737.db2.gz IZDLAMWFQGHSKS-KBPBESRZSA-N 1 1 291.782 2.505 20 30 CFEDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C[C@@H](C)CCC#N)CC2 ZINC000602476296 350898561 /nfs/dbraw/zinc/89/85/61/350898561.db2.gz MFOGVJJFUAJNEF-XHSDSOJGSA-N 1 1 263.429 2.873 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000602483156 350902135 /nfs/dbraw/zinc/90/21/35/350902135.db2.gz HAOPKYFSGVNEDP-RBSFLKMASA-N 1 1 260.385 2.706 20 30 CFEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)n2)C12CCC2 ZINC000602483852 350902229 /nfs/dbraw/zinc/90/22/29/350902229.db2.gz JKIZIASPZXAHMS-HZPDHXFCSA-N 1 1 285.391 2.733 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000602495464 350905679 /nfs/dbraw/zinc/90/56/79/350905679.db2.gz VGWCSUDVGXUFOK-TZMCWYRMSA-N 1 1 287.411 2.801 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000602495464 350905682 /nfs/dbraw/zinc/90/56/82/350905682.db2.gz VGWCSUDVGXUFOK-TZMCWYRMSA-N 1 1 287.411 2.801 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000602495464 350905687 /nfs/dbraw/zinc/90/56/87/350905687.db2.gz VGWCSUDVGXUFOK-TZMCWYRMSA-N 1 1 287.411 2.801 20 30 CFEDMO C[C@@H](NCc1cccc(C#N)n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000602596969 350940799 /nfs/dbraw/zinc/94/07/99/350940799.db2.gz OTIREDWLVCTPNG-CABCVRRESA-N 1 1 298.434 2.696 20 30 CFEDMO C[C@H]([NH2+]Cc1cc2c(cn1)OCCO2)c1cccc(C#N)c1 ZINC000602571167 350928543 /nfs/dbraw/zinc/92/85/43/350928543.db2.gz VPGMGDXSHJENFK-LBPRGKRZSA-N 1 1 295.342 2.575 20 30 CFEDMO CCCCCn1cc(C[NH2+]Cc2cccc(C#N)n2)c(C)n1 ZINC000602579289 350931902 /nfs/dbraw/zinc/93/19/02/350931902.db2.gz JEBUOQUHIOZQLS-UHFFFAOYSA-N 1 1 297.406 2.938 20 30 CFEDMO COC(=O)C[N@@H+](CCc1ccccc1)C[C@H](C)CCC#N ZINC000602587071 350936076 /nfs/dbraw/zinc/93/60/76/350936076.db2.gz OIYUKVURSQWZHG-OAHLLOKOSA-N 1 1 288.391 2.644 20 30 CFEDMO C[C@@H](c1ccccn1)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602588613 350937025 /nfs/dbraw/zinc/93/70/25/350937025.db2.gz COEDRQFHGFRCSQ-LBPRGKRZSA-N 1 1 252.321 2.541 20 30 CFEDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602588613 350937030 /nfs/dbraw/zinc/93/70/30/350937030.db2.gz COEDRQFHGFRCSQ-LBPRGKRZSA-N 1 1 252.321 2.541 20 30 CFEDMO CC[N@H+](CCC#N)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000602438172 350882238 /nfs/dbraw/zinc/88/22/38/350882238.db2.gz OALQJFMMRNBVOL-AWEZNQCLSA-N 1 1 274.364 2.927 20 30 CFEDMO CC[N@@H+](CCC#N)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000602438172 350882240 /nfs/dbraw/zinc/88/22/40/350882240.db2.gz OALQJFMMRNBVOL-AWEZNQCLSA-N 1 1 274.364 2.927 20 30 CFEDMO N#Cc1ccccc1N1CCC[N@@H+](CCC[C@H]2CCO2)CC1 ZINC000602447498 350887106 /nfs/dbraw/zinc/88/71/06/350887106.db2.gz IQLPQQRROSGQBV-KRWDZBQOSA-N 1 1 299.418 2.639 20 30 CFEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602453080 350888530 /nfs/dbraw/zinc/88/85/30/350888530.db2.gz LIDOOHRCUZUVCP-HRCADAONSA-N 1 1 293.455 2.943 20 30 CFEDMO C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H](C)CCC#N ZINC000602453288 350888990 /nfs/dbraw/zinc/88/89/90/350888990.db2.gz JZCURJDPKPPYFB-HUUCEWRRSA-N 1 1 260.381 2.809 20 30 CFEDMO CCCC(=O)NC[C@H]1CCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602453843 350889656 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CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)Cc1ccsc1 ZINC000604475401 351213969 /nfs/dbraw/zinc/21/39/69/351213969.db2.gz RDCSKZQIDRCTGS-IUODEOHRSA-N 1 1 293.436 2.623 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccsc1 ZINC000604475401 351213973 /nfs/dbraw/zinc/21/39/73/351213973.db2.gz RDCSKZQIDRCTGS-IUODEOHRSA-N 1 1 293.436 2.623 20 30 CFEDMO CN(Cc1ccc(C#N)cc1)c1nc(N2CCCC2)cc[nH+]1 ZINC000609287644 351494916 /nfs/dbraw/zinc/49/49/16/351494916.db2.gz HXWSNGKOTMSEQH-UHFFFAOYSA-N 1 1 293.374 2.585 20 30 CFEDMO Cc1cccc(C[NH+]2CCN([C@@H](C#N)C(C)C)CC2)c1 ZINC000609538785 351505923 /nfs/dbraw/zinc/50/59/23/351505923.db2.gz NUINEZGLIJPRDO-KRWDZBQOSA-N 1 1 271.408 2.661 20 30 CFEDMO CC[N@@H+](CCn1ccccc1=O)[C@H](C)c1ccc(C#N)cc1 ZINC000608788725 351470410 /nfs/dbraw/zinc/47/04/10/351470410.db2.gz QYIDUIKLNLBCPA-OAHLLOKOSA-N 1 1 295.386 2.803 20 30 CFEDMO C[C@@H](C[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1)c1ccccc1 ZINC000608977211 351482963 /nfs/dbraw/zinc/48/29/63/351482963.db2.gz 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C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)NC1CCCC1 ZINC000425538689 239095043 /nfs/dbraw/zinc/09/50/43/239095043.db2.gz LUBGIBJSWLIXGS-CYBMUJFWSA-N 1 1 285.391 2.610 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)NC1CCCC1 ZINC000425538689 239095046 /nfs/dbraw/zinc/09/50/46/239095046.db2.gz LUBGIBJSWLIXGS-CYBMUJFWSA-N 1 1 285.391 2.610 20 30 CFEDMO COc1ccc(C[N@H+](C)[C@@H](C)c2cccc(C#N)c2)nn1 ZINC000425540969 239096010 /nfs/dbraw/zinc/09/60/10/239096010.db2.gz WBTAAKXRIAFLHB-LBPRGKRZSA-N 1 1 282.347 2.550 20 30 CFEDMO COc1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)nn1 ZINC000425540969 239096013 /nfs/dbraw/zinc/09/60/13/239096013.db2.gz WBTAAKXRIAFLHB-LBPRGKRZSA-N 1 1 282.347 2.550 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425502874 239082535 /nfs/dbraw/zinc/08/25/35/239082535.db2.gz RAMFJUJBFYVOPH-CZUORRHYSA-N 1 1 281.363 2.548 20 30 CFEDMO C=CCN(C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1)C1CC1 ZINC000667329013 541217245 /nfs/dbraw/zinc/21/72/45/541217245.db2.gz ZBMXVJLTUVDBPB-QGZVFWFLSA-N 1 1 299.418 2.621 20 30 CFEDMO Cn1c2cc(F)ccc2[nH+]c1NCCc1cccc(C#N)c1 ZINC000431408307 239886115 /nfs/dbraw/zinc/88/61/15/239886115.db2.gz BUZTYMOHVOPPKB-UHFFFAOYSA-N 1 1 294.333 2.661 20 30 CFEDMO COc1cc(C[N@H+](C[C@@H](C)OC)C(C)C)ccc1C#N ZINC000442883541 241012298 /nfs/dbraw/zinc/01/22/98/241012298.db2.gz HNSPAMXQJSCWKP-CYBMUJFWSA-N 1 1 276.380 2.812 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)Cc1ccnc(N(C)C)n1 ZINC000442893134 241015065 /nfs/dbraw/zinc/01/50/65/241015065.db2.gz ACQQEWFCUNYRBY-CYBMUJFWSA-N 1 1 295.390 2.607 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccnc(N(C)C)n1 ZINC000442893134 241015073 /nfs/dbraw/zinc/01/50/73/241015073.db2.gz ACQQEWFCUNYRBY-CYBMUJFWSA-N 1 1 295.390 2.607 20 30 CFEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(C#N)cs1 ZINC000443785224 241086735 /nfs/dbraw/zinc/08/67/35/241086735.db2.gz UKJNLPWZYNXGFM-UHIISALHSA-N 1 1 264.394 2.601 20 30 CFEDMO Cc1cc(CNCC[NH+]2CCCCCC2)ccc1C#N ZINC000443979201 241099323 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CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000449561204 242032365 /nfs/dbraw/zinc/03/23/65/242032365.db2.gz BLWLBTDEPCSIED-LBPRGKRZSA-N 1 1 254.337 2.625 20 30 CFEDMO Cc1cc(CNCC[N@H+]2CCCC2(C)C)ccc1C#N ZINC000449784872 242162393 /nfs/dbraw/zinc/16/23/93/242162393.db2.gz YXMYMJCSUPKBIF-UHFFFAOYSA-N 1 1 271.408 2.831 20 30 CFEDMO Cc1cc(C[NH2+]CCN2CCCC2(C)C)ccc1C#N ZINC000449784872 242162398 /nfs/dbraw/zinc/16/23/98/242162398.db2.gz YXMYMJCSUPKBIF-UHFFFAOYSA-N 1 1 271.408 2.831 20 30 CFEDMO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000451252051 242781229 /nfs/dbraw/zinc/78/12/29/242781229.db2.gz GWRHGRAGXPJJCD-WFASDCNBSA-N 1 1 278.783 2.804 20 30 CFEDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000451252051 242781232 /nfs/dbraw/zinc/78/12/32/242781232.db2.gz GWRHGRAGXPJJCD-WFASDCNBSA-N 1 1 278.783 2.804 20 30 CFEDMO COC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)CC1 ZINC000452075824 243037879 /nfs/dbraw/zinc/03/78/79/243037879.db2.gz DJOBHWZHAVCXSU-CYBMUJFWSA-N 1 1 276.355 2.946 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](CCCO)C1 ZINC000452126573 243056127 /nfs/dbraw/zinc/05/61/27/243056127.db2.gz KHMVZIVWLJMGJF-UKRRQHHQSA-N 1 1 258.365 2.714 20 30 CFEDMO C=C(C)C[N@@H+](CC)Cc1cnnn1-c1ccccc1 ZINC000675824534 541698985 /nfs/dbraw/zinc/69/89/85/541698985.db2.gz XJSPVCMAKYQFSM-UHFFFAOYSA-N 1 1 256.353 2.665 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1cnnn1-c1ccccc1 ZINC000675824534 541698987 /nfs/dbraw/zinc/69/89/87/541698987.db2.gz XJSPVCMAKYQFSM-UHFFFAOYSA-N 1 1 256.353 2.665 20 30 CFEDMO C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000330640132 203068693 /nfs/dbraw/zinc/06/86/93/203068693.db2.gz HRGYJSXUHONRGV-RHSMWYFYSA-N 1 1 299.418 2.685 20 30 CFEDMO Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000455998884 244043569 /nfs/dbraw/zinc/04/35/69/244043569.db2.gz KAYCRJFJIIDSTP-GDBMZVCRSA-N 1 1 298.390 2.615 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000276082027 193208361 /nfs/dbraw/zinc/20/83/61/193208361.db2.gz BANAYQGJNPLDFA-UONOGXRCSA-N 1 1 290.407 2.769 20 30 CFEDMO C=CCC[N@H+](C)Cc1c(OC)cc(OC)cc1OC ZINC000276085926 193209501 /nfs/dbraw/zinc/20/95/01/193209501.db2.gz CARHIMCVWJIFPO-UHFFFAOYSA-N 1 1 265.353 2.720 20 30 CFEDMO CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC#CCOC ZINC000676729588 541783724 /nfs/dbraw/zinc/78/37/24/541783724.db2.gz QGYGPLKZEYJZIA-MRXNPFEDSA-N 1 1 261.365 2.728 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000276117058 193217874 /nfs/dbraw/zinc/21/78/74/193217874.db2.gz YCAOHUCMRIOHKN-WFASDCNBSA-N 1 1 258.365 2.712 20 30 CFEDMO C=CCOc1cccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c1 ZINC000276121724 193219165 /nfs/dbraw/zinc/21/91/65/193219165.db2.gz YKYFLXDVTASJAM-WKILWMFISA-N 1 1 275.392 2.987 20 30 CFEDMO C#CCC[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000276302024 193277637 /nfs/dbraw/zinc/27/76/37/193277637.db2.gz XDEJMGXBYFZSJI-VQFNDLOPSA-N 1 1 270.420 2.756 20 30 CFEDMO C=CCC[N@@H+](C)CCCS(=O)(=O)c1cccc(C)c1 ZINC000276339142 193291956 /nfs/dbraw/zinc/29/19/56/193291956.db2.gz CDMJAHDKJRWEPK-UHFFFAOYSA-N 1 1 281.421 2.667 20 30 CFEDMO C=CCC[N@H+](C)Cc1cncc(Br)c1 ZINC000276364860 193301480 /nfs/dbraw/zinc/30/14/80/193301480.db2.gz GDDNVFNQRNVZKN-UHFFFAOYSA-N 1 1 255.159 2.852 20 30 CFEDMO C=CCC[N@@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000276497873 193357534 /nfs/dbraw/zinc/35/75/34/193357534.db2.gz VVLJRJOICHOKKF-UHFFFAOYSA-N 1 1 261.300 2.884 20 30 CFEDMO C=CCC[N@H+](C)Cc1nc(-c2ccccc2F)no1 ZINC000276497873 193357536 /nfs/dbraw/zinc/35/75/36/193357536.db2.gz VVLJRJOICHOKKF-UHFFFAOYSA-N 1 1 261.300 2.884 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1OC ZINC000276505147 193359889 /nfs/dbraw/zinc/35/98/89/193359889.db2.gz WUUCMUQNCBJEIE-LBPRGKRZSA-N 1 1 292.379 2.539 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000276461176 193341214 /nfs/dbraw/zinc/34/12/14/193341214.db2.gz QQKRMZJDYZHOTR-AWEZNQCLSA-N 1 1 264.413 2.890 20 30 CFEDMO C=CCC[N@@H+](C)Cc1nc(Cc2ccccc2)no1 ZINC000276492782 193354462 /nfs/dbraw/zinc/35/44/62/193354462.db2.gz UZZNSWWOKDQZCE-UHFFFAOYSA-N 1 1 257.337 2.668 20 30 CFEDMO C=CCC[N@H+](C)Cc1nc(Cc2ccccc2)no1 ZINC000276492782 193354465 /nfs/dbraw/zinc/35/44/65/193354465.db2.gz UZZNSWWOKDQZCE-UHFFFAOYSA-N 1 1 257.337 2.668 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000276530286 193369078 /nfs/dbraw/zinc/36/90/78/193369078.db2.gz ZTWYDHRBTBRNSE-HNNXBMFYSA-N 1 1 276.355 2.653 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+](C)Cc1ccccc1Br ZINC000677046965 541813045 /nfs/dbraw/zinc/81/30/45/541813045.db2.gz MIVLRUWQVYEVCW-CYBMUJFWSA-N 1 1 284.197 2.818 20 30 CFEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccccc1Br ZINC000677046965 541813047 /nfs/dbraw/zinc/81/30/47/541813047.db2.gz MIVLRUWQVYEVCW-CYBMUJFWSA-N 1 1 284.197 2.818 20 30 CFEDMO CC[C@H](C)C[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459340322 245147908 /nfs/dbraw/zinc/14/79/08/245147908.db2.gz IMHUJBOVMITLRT-NSHDSACASA-N 1 1 261.325 2.944 20 30 CFEDMO CC[C@H](C)C[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459340322 245147911 /nfs/dbraw/zinc/14/79/11/245147911.db2.gz IMHUJBOVMITLRT-NSHDSACASA-N 1 1 261.325 2.944 20 30 CFEDMO CC[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000459406863 245165870 /nfs/dbraw/zinc/16/58/70/245165870.db2.gz OSGFWCGDYVLIRT-ZFWWWQNUSA-N 1 1 289.335 2.514 20 30 CFEDMO CCOC[C@H]([NH2+]Cc1c(C#N)cccc1[N+](=O)[O-])C(C)C ZINC000459486498 245196235 /nfs/dbraw/zinc/19/62/35/245196235.db2.gz UZCJJEQAWSORKH-AWEZNQCLSA-N 1 1 291.351 2.617 20 30 CFEDMO Cc1cc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)ccc1C#N ZINC000459742310 245299625 /nfs/dbraw/zinc/29/96/25/245299625.db2.gz YVOWZFDGUYQTGA-IAGOWNOFSA-N 1 1 282.387 2.868 20 30 CFEDMO C[C@@H]1CCC[C@@](C#N)(NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC000116810812 376206911 /nfs/dbraw/zinc/20/69/11/376206911.db2.gz FQBCLDSKZAVTBE-CRAIPNDOSA-N 1 1 299.418 2.707 20 30 CFEDMO C[C@@H]1CCC[C@@](C#N)(NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000116810812 376206916 /nfs/dbraw/zinc/20/69/16/376206916.db2.gz FQBCLDSKZAVTBE-CRAIPNDOSA-N 1 1 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ZINC000181075078 380735462 /nfs/dbraw/zinc/73/54/62/380735462.db2.gz RAZAHZOIQBPXIR-UHFFFAOYSA-N 1 1 287.794 2.910 20 30 CFEDMO C=CC[N@@H+](CCOC)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000432791182 383750236 /nfs/dbraw/zinc/75/02/36/383750236.db2.gz FLOABGFYTMJBGQ-NSHDSACASA-N 1 1 281.352 2.570 20 30 CFEDMO C=CC[N@H+](CCOC)[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000432791182 383750239 /nfs/dbraw/zinc/75/02/39/383750239.db2.gz FLOABGFYTMJBGQ-NSHDSACASA-N 1 1 281.352 2.570 20 30 CFEDMO C=CC(C)(C)C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000295451146 380863435 /nfs/dbraw/zinc/86/34/35/380863435.db2.gz XXEHLUIXDNWXAL-UHFFFAOYSA-N 1 1 278.371 2.586 20 30 CFEDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000367984697 380875346 /nfs/dbraw/zinc/87/53/46/380875346.db2.gz YAGATAUOIIKAQE-MRXNPFEDSA-N 1 1 258.365 2.543 20 30 CFEDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)N(C)CCC#N ZINC000181571531 380830836 /nfs/dbraw/zinc/83/08/36/380830836.db2.gz ORZLVJTVFKNTCU-WBVHZDCISA-N 1 1 299.418 2.627 20 30 CFEDMO CO[C@@H](C)C[N@@H+](Cc1ccc(C#N)s1)C(C)C ZINC000353774663 380844197 /nfs/dbraw/zinc/84/41/97/380844197.db2.gz IOTCIBCOFWGNMJ-NSHDSACASA-N 1 1 252.383 2.865 20 30 CFEDMO C[C@H](CNc1cc(C#N)ccn1)[N@@H+](C)Cc1ccccc1 ZINC000287496163 380846712 /nfs/dbraw/zinc/84/67/12/380846712.db2.gz UKIZFRUGCIDWAU-CQSZACIVSA-N 1 1 280.375 2.886 20 30 CFEDMO CCC[N@@H+](C)CC(=O)N(CC(C)C)c1ccc(C#N)cc1 ZINC000346988822 380851517 /nfs/dbraw/zinc/85/15/17/380851517.db2.gz SWJVOVSRVHHSRR-UHFFFAOYSA-N 1 1 287.407 2.889 20 30 CFEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)CC1(C(=O)OC)CC1 ZINC000279262445 194356231 /nfs/dbraw/zinc/35/62/31/194356231.db2.gz UDWYRFRJRNOUOS-UHFFFAOYSA-N 1 1 289.375 2.636 20 30 CFEDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000404073419 380897645 /nfs/dbraw/zinc/89/76/45/380897645.db2.gz PUMXLPYKJIJLBQ-HNNXBMFYSA-N 1 1 262.328 2.556 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)CCOCC ZINC000279238928 194348673 /nfs/dbraw/zinc/34/86/73/194348673.db2.gz FQVFNYQXGVRHKH-QGZVFWFLSA-N 1 1 277.408 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OMFOKGSPKWNQTM-UHFFFAOYSA-N 1 1 262.784 2.875 20 30 CFEDMO N#Cc1ccc(F)cc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000368237605 380964097 /nfs/dbraw/zinc/96/40/97/380964097.db2.gz YPNHBXMXAMESGW-OAHLLOKOSA-N 1 1 288.366 2.946 20 30 CFEDMO CCOCC[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000287929546 380974387 /nfs/dbraw/zinc/97/43/87/380974387.db2.gz WRWYKQRAAKOPIB-UHFFFAOYSA-N 1 1 297.196 2.789 20 30 CFEDMO CCOCC[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000287929546 380974400 /nfs/dbraw/zinc/97/44/00/380974400.db2.gz WRWYKQRAAKOPIB-UHFFFAOYSA-N 1 1 297.196 2.789 20 30 CFEDMO C[C@H](CO)[N@@H+](Cc1cccc(C#N)c1F)C1CCCC1 ZINC000347161043 380975918 /nfs/dbraw/zinc/97/59/18/380975918.db2.gz GYJHANXOJNZUET-GFCCVEGCSA-N 1 1 276.355 2.823 20 30 CFEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCNC(=O)CC1 ZINC000295624045 380981042 /nfs/dbraw/zinc/98/10/42/380981042.db2.gz WTFDYWBKTVVAGV-KRWDZBQOSA-N 1 1 299.418 2.687 20 30 CFEDMO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C#N)cc2F)C1 ZINC000358565969 380932588 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C[C@H](N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(C#N)cc1F ZINC000358569081 380937188 /nfs/dbraw/zinc/93/71/88/380937188.db2.gz LQFSGWXIFNMVSY-PRXAMGSTSA-N 1 1 287.382 2.831 20 30 CFEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)NCc1ccccc1C ZINC000411167768 381012297 /nfs/dbraw/zinc/01/22/97/381012297.db2.gz YDPUXKMDVWVNEK-HNNXBMFYSA-N 1 1 272.392 2.674 20 30 CFEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)[C@H](C)CO1 ZINC000411147689 381013059 /nfs/dbraw/zinc/01/30/59/381013059.db2.gz PZCNAKNPASNGQU-ZIAGYGMSSA-N 1 1 250.386 2.960 20 30 CFEDMO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)N(CC)CC ZINC000411194598 381015012 /nfs/dbraw/zinc/01/50/12/381015012.db2.gz QUYLKEVPMNGRFX-HNNXBMFYSA-N 1 1 299.418 2.803 20 30 CFEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)[C@@H](C)C(=O)N(CC)CC ZINC000411194598 381015017 /nfs/dbraw/zinc/01/50/17/381015017.db2.gz QUYLKEVPMNGRFX-HNNXBMFYSA-N 1 1 299.418 2.803 20 30 CFEDMO N#CC1(CC[N@@H+]2CCC[C@H](CCC(N)=O)C2)CCCCC1 ZINC000411214326 381018748 /nfs/dbraw/zinc/01/87/48/381018748.db2.gz FHEXWPDOOWVCRF-OAHLLOKOSA-N 1 1 291.439 2.828 20 30 CFEDMO C[C@@H](CCC#N)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000411210430 381019223 /nfs/dbraw/zinc/01/92/23/381019223.db2.gz FCFOQWOOYSVNRV-ZDUSSCGKSA-N 1 1 286.354 2.512 20 30 CFEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)[C@@H](C)CCC#N ZINC000411229970 381019387 /nfs/dbraw/zinc/01/93/87/381019387.db2.gz VVXWQQZNYRAXSY-AWEZNQCLSA-N 1 1 287.407 2.903 20 30 CFEDMO C=CC[N@@H+](CC1CCCCC1)[C@H](C)C(=O)N(C)CCC#N ZINC000411253937 381021378 /nfs/dbraw/zinc/02/13/78/381021378.db2.gz FEVKLNMEBOAANV-OAHLLOKOSA-N 1 1 291.439 2.815 20 30 CFEDMO C[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@H]1CO ZINC000411392363 381023895 /nfs/dbraw/zinc/02/38/95/381023895.db2.gz CMSXDYJSVUYSBT-GJZGRUSLSA-N 1 1 264.413 2.943 20 30 CFEDMO C#CCCCC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000368460989 381032034 /nfs/dbraw/zinc/03/20/34/381032034.db2.gz GBRJFRWMZKTPHP-QGZVFWFLSA-N 1 1 298.430 2.913 20 30 CFEDMO COCCSc1ccc([C@H](C)[NH2+]CCC#N)cc1 ZINC000411465398 381028151 /nfs/dbraw/zinc/02/81/51/381028151.db2.gz OUJVDVZAUDVTSY-LBPRGKRZSA-N 1 1 264.394 2.989 20 30 CFEDMO CC[N@@H+](C[C@H]1CCNC(=O)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000295643420 380993416 /nfs/dbraw/zinc/99/34/16/380993416.db2.gz YQNSAWNXDBSIPE-GOEBONIOSA-N 1 1 299.418 2.857 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000411540981 381032295 /nfs/dbraw/zinc/03/22/95/381032295.db2.gz GIZPRUAIUFBIMP-CJNGLKHVSA-N 1 1 256.349 2.810 20 30 CFEDMO N#CC1(CC[N@@H+]2CCC[C@@H]2CCO)CCCCC1 ZINC000411562240 381032467 /nfs/dbraw/zinc/03/24/67/381032467.db2.gz BGMIIYYYKITSFX-CQSZACIVSA-N 1 1 250.386 2.697 20 30 CFEDMO C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000368486092 381041561 /nfs/dbraw/zinc/04/15/61/381041561.db2.gz YTEJGBGXLBGSQU-OAHLLOKOSA-N 1 1 272.392 2.657 20 30 CFEDMO CC[N@@H+](CCC1CCN(CCC#N)CC1)CC(C)C ZINC000358733733 381042044 /nfs/dbraw/zinc/04/20/44/381042044.db2.gz CDNMFTIBNAHVFN-UHFFFAOYSA-N 1 1 265.445 2.980 20 30 CFEDMO C[C@]1(F)CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000347358287 381096275 /nfs/dbraw/zinc/09/62/75/381096275.db2.gz SGGSAFQEZUUGBV-HNNXBMFYSA-N 1 1 262.328 2.761 20 30 CFEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)c1nccn1C)C(C)C ZINC000182371501 381076438 /nfs/dbraw/zinc/07/64/38/381076438.db2.gz MMLNETXDXWRDBE-HOTGVXAUSA-N 1 1 290.455 2.769 20 30 CFEDMO CC(C)C[N@H+]1CCCN(c2c(C#N)cccc2C#N)CC1 ZINC000368912082 381162047 /nfs/dbraw/zinc/16/20/47/381162047.db2.gz CAMKUUUYWIZEMA-UHFFFAOYSA-N 1 1 282.391 2.598 20 30 CFEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)[C@H]1[C@H]1CCCO1 ZINC000289922794 381217765 /nfs/dbraw/zinc/21/77/65/381217765.db2.gz UTGXEEIZHJBHEE-CVEARBPZSA-N 1 1 270.376 2.948 20 30 CFEDMO C=C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1Br ZINC000289893626 381205031 /nfs/dbraw/zinc/20/50/31/381205031.db2.gz QLXACKKHCUVGSP-JTQLQIEISA-N 1 1 290.588 2.739 20 30 CFEDMO N#CCc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000342069451 381207515 /nfs/dbraw/zinc/20/75/15/381207515.db2.gz VOFCELIUCSMPQL-IRXDYDNUSA-N 1 1 270.376 2.896 20 30 CFEDMO CC[NH+](CC)[C@@H](C)CN[C@@H](C)c1cccc(C#N)c1 ZINC000359014384 381216679 /nfs/dbraw/zinc/21/66/79/381216679.db2.gz ALILVBWLYOMZIP-KBPBESRZSA-N 1 1 259.397 2.939 20 30 CFEDMO COc1cc(C[N@@H+]2CCC[C@](C)(F)C2)ccc1C#N ZINC000296093463 381253238 /nfs/dbraw/zinc/25/32/38/381253238.db2.gz RKQDUAGRRNBFFY-HNNXBMFYSA-N 1 1 262.328 2.891 20 30 CFEDMO COc1cc(C[N@H+]2CCC[C@](C)(F)C2)ccc1C#N ZINC000296093463 381253244 /nfs/dbraw/zinc/25/32/44/381253244.db2.gz RKQDUAGRRNBFFY-HNNXBMFYSA-N 1 1 262.328 2.891 20 30 CFEDMO Cc1nsc(N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1C#N ZINC000342301228 381261001 /nfs/dbraw/zinc/26/10/01/381261001.db2.gz ZTQIYZPGUIPGQD-ZDUSSCGKSA-N 1 1 290.436 3.000 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCCO[C@H]3CCC[C@H]32)c1 ZINC000369469972 381268514 /nfs/dbraw/zinc/26/85/14/381268514.db2.gz MDFBDZYFGWDWCM-CVEARBPZSA-N 1 1 256.349 2.702 20 30 CFEDMO C=C(CC)C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000342310345 381269027 /nfs/dbraw/zinc/26/90/27/381269027.db2.gz WDRQKYJGAPTLJW-UHFFFAOYSA-N 1 1 264.335 2.911 20 30 CFEDMO C=C(CC)C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000342310345 381269033 /nfs/dbraw/zinc/26/90/33/381269033.db2.gz WDRQKYJGAPTLJW-UHFFFAOYSA-N 1 1 264.335 2.911 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)o1 ZINC000183212317 381236497 /nfs/dbraw/zinc/23/64/97/381236497.db2.gz RUZKFHSALRJBLF-INIZCTEOSA-N 1 1 286.306 2.944 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)o1 ZINC000183212317 381236502 /nfs/dbraw/zinc/23/65/02/381236502.db2.gz RUZKFHSALRJBLF-INIZCTEOSA-N 1 1 286.306 2.944 20 30 CFEDMO C[C@@H]1C[C@H](C(C)(C)C)CC[N@H+]1CCC(=O)N(C)CCC#N ZINC000347585111 381238558 /nfs/dbraw/zinc/23/85/58/381238558.db2.gz SENVZFDMJZETOF-HUUCEWRRSA-N 1 1 293.455 2.895 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000289966072 381240368 /nfs/dbraw/zinc/24/03/68/381240368.db2.gz IWHMOJGIFDLGRT-KBPBESRZSA-N 1 1 283.293 2.556 20 30 CFEDMO Clc1cnn([C@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC000290071597 381286998 /nfs/dbraw/zinc/28/69/98/381286998.db2.gz YJYLWLCPYLEDCI-INIZCTEOSA-N 1 1 285.778 2.835 20 30 CFEDMO Clc1cnn([C@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC000290071597 381287003 /nfs/dbraw/zinc/28/70/03/381287003.db2.gz YJYLWLCPYLEDCI-INIZCTEOSA-N 1 1 285.778 2.835 20 30 CFEDMO CCOC(=O)[C@H]([NH2+]CCCC(C)(C)C#N)[C@@H](C)CC ZINC000183568441 381288903 /nfs/dbraw/zinc/28/89/03/381288903.db2.gz KCEYLICQGWJMQA-QWHCGFSZSA-N 1 1 268.401 2.884 20 30 CFEDMO Cc1[nH+]ccn1CCCCNc1cc(C)nc(C#N)c1 ZINC000342374301 381302576 /nfs/dbraw/zinc/30/25/76/381302576.db2.gz SVJHDBQUSSCKSM-UHFFFAOYSA-N 1 1 269.352 2.659 20 30 CFEDMO CC[N@@H+](CCc1cncn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000290110882 381303494 /nfs/dbraw/zinc/30/34/94/381303494.db2.gz SRLFTTKOXQAOMZ-AWEZNQCLSA-N 1 1 282.391 2.917 20 30 CFEDMO Cc1[nH+]ccn1CCCOc1cc(F)cc(C#N)c1 ZINC000288773232 197162441 /nfs/dbraw/zinc/16/24/41/197162441.db2.gz GMWRSYGOYDHBGA-UHFFFAOYSA-N 1 1 259.284 2.671 20 30 CFEDMO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1noc(COCC)n1 ZINC000290039877 381275054 /nfs/dbraw/zinc/27/50/54/381275054.db2.gz DKWKKITXLGXLCX-SRVKXCTJSA-N 1 1 267.373 2.857 20 30 CFEDMO C[C@H](C#N)CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183825468 381326801 /nfs/dbraw/zinc/32/68/01/381326801.db2.gz WAFCJCKICZDWQZ-LAVFITLUSA-N 1 1 283.419 2.646 20 30 CFEDMO C[C@H](C#N)C[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000183837208 381328039 /nfs/dbraw/zinc/32/80/39/381328039.db2.gz COKNIWAXYHNTRS-CYBMUJFWSA-N 1 1 257.337 2.618 20 30 CFEDMO C[C@H](C#N)CN[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000183837584 381329131 /nfs/dbraw/zinc/32/91/31/381329131.db2.gz BZBAUFMUPTVFCH-IJEWVQPXSA-N 1 1 257.381 2.571 20 30 CFEDMO C[C@H](C#N)C[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000183837584 381329135 /nfs/dbraw/zinc/32/91/35/381329135.db2.gz BZBAUFMUPTVFCH-IJEWVQPXSA-N 1 1 257.381 2.571 20 30 CFEDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1CCCC(C)(C)C#N ZINC000369697249 381317030 /nfs/dbraw/zinc/31/70/30/381317030.db2.gz YWNXPSGCIKMLHD-HNNXBMFYSA-N 1 1 293.455 2.501 20 30 CFEDMO C[C@H]1CN(C2CCOCC2)CC[N@@H+]1CCCC(C)(C)C#N ZINC000369697249 381317035 /nfs/dbraw/zinc/31/70/35/381317035.db2.gz YWNXPSGCIKMLHD-HNNXBMFYSA-N 1 1 293.455 2.501 20 30 CFEDMO C[C@H]1CN(C2CCOCC2)CC[N@H+]1CCCC(C)(C)C#N ZINC000369697249 381317040 /nfs/dbraw/zinc/31/70/40/381317040.db2.gz YWNXPSGCIKMLHD-HNNXBMFYSA-N 1 1 293.455 2.501 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)NCc1cc(C#N)cs1 ZINC000342412853 381317815 /nfs/dbraw/zinc/31/78/15/381317815.db2.gz HJFZRGOIPTYSDX-LBPRGKRZSA-N 1 1 265.426 2.830 20 30 CFEDMO CCCCN(C)C[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000342412853 381317822 /nfs/dbraw/zinc/31/78/22/381317822.db2.gz HJFZRGOIPTYSDX-LBPRGKRZSA-N 1 1 265.426 2.830 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000184089616 262007958 /nfs/dbraw/zinc/00/79/58/262007958.db2.gz QCDAPZZWILFNBV-IYNGYCSASA-N 1 1 259.309 2.890 20 30 CFEDMO COc1cc(C[N@@H+](C)C2CCC(CO)CC2)ccc1C#N ZINC000290304552 381376170 /nfs/dbraw/zinc/37/61/70/381376170.db2.gz BPKQUQXMVRFZBM-UHFFFAOYSA-N 1 1 288.391 2.550 20 30 CFEDMO C#Cc1ccc(C[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)cc1 ZINC000290320485 381381223 /nfs/dbraw/zinc/38/12/23/381381223.db2.gz JMSFYAJGKUFDRR-LBPRGKRZSA-N 1 1 268.364 2.760 20 30 CFEDMO C[N@@H+](CC[C@H]1CCCO1)Cc1ccc(F)c(C#N)c1 ZINC000342595177 381422390 /nfs/dbraw/zinc/42/23/90/381422390.db2.gz HITSXQGMJHCERC-CQSZACIVSA-N 1 1 262.328 2.698 20 30 CFEDMO Cc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2F)n(C)n1 ZINC000342616744 381437535 /nfs/dbraw/zinc/43/75/35/381437535.db2.gz OPFJUHTVQTWPBB-NSHDSACASA-N 1 1 272.327 2.590 20 30 CFEDMO C=CCOCCC[N@@H+]1CCc2ccc(OC)cc2C1 ZINC000347971564 381439793 /nfs/dbraw/zinc/43/97/93/381439793.db2.gz NZKOJEXHKAHNDC-UHFFFAOYSA-N 1 1 261.365 2.646 20 30 CFEDMO C[C@@H]1CN(Cc2ccc(F)c(C#N)c2)CC[N@H+](C2CC2)C1 ZINC000296541276 381439775 /nfs/dbraw/zinc/43/97/75/381439775.db2.gz FEMOPOWAMSQNAW-CYBMUJFWSA-N 1 1 287.382 2.613 20 30 CFEDMO CCOC(=O)C[N@H+](Cc1ccc(CC#N)cc1)C1CCC1 ZINC000342630671 381444888 /nfs/dbraw/zinc/44/48/88/381444888.db2.gz GBCFITYXNIGTQH-UHFFFAOYSA-N 1 1 286.375 2.670 20 30 CFEDMO CCOC(=O)C[N@@H+](Cc1ccc(CC#N)cc1)C1CCC1 ZINC000342630671 381444897 /nfs/dbraw/zinc/44/48/97/381444897.db2.gz GBCFITYXNIGTQH-UHFFFAOYSA-N 1 1 286.375 2.670 20 30 CFEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000354849588 381484952 /nfs/dbraw/zinc/48/49/52/381484952.db2.gz JVHQOUADLNABIP-UHFFFAOYSA-N 1 1 292.427 2.783 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000354849588 381484961 /nfs/dbraw/zinc/48/49/61/381484961.db2.gz JVHQOUADLNABIP-UHFFFAOYSA-N 1 1 292.427 2.783 20 30 CFEDMO CCn1ccnc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000296568514 381451628 /nfs/dbraw/zinc/45/16/28/381451628.db2.gz STAMUQHRTMGFBF-LLVKDONJSA-N 1 1 272.327 2.765 20 30 CFEDMO CC[N@H+]1CC[C@H](CNC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000354785197 381453191 /nfs/dbraw/zinc/45/31/91/381453191.db2.gz GHOHJXXPTHGJKN-WBVHZDCISA-N 1 1 299.418 2.532 20 30 CFEDMO C=CCOCCC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000348031757 381453410 /nfs/dbraw/zinc/45/34/10/381453410.db2.gz KYPSSGWRZNWFIG-SFHVURJKSA-N 1 1 289.419 2.951 20 30 CFEDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2cc(C#N)ccc2F)C1 ZINC000342696041 381484100 /nfs/dbraw/zinc/48/41/00/381484100.db2.gz YENUXSTXZLCWPI-OAHLLOKOSA-N 1 1 275.371 2.612 20 30 CFEDMO C=CCOCCC[N@H+](C)Cc1c(C)nc2sccn21 ZINC000348041063 381454596 /nfs/dbraw/zinc/45/45/96/381454596.db2.gz FFTNNABTWPMHMS-UHFFFAOYSA-N 1 1 279.409 2.729 20 30 CFEDMO C=CCOCCC[N@H+](C)[C@H]1C[C@H](OCC)C1(C)C ZINC000348053866 381458288 /nfs/dbraw/zinc/45/82/88/381458288.db2.gz WXIFDSAFXMSTFB-KBPBESRZSA-N 1 1 255.402 2.715 20 30 CFEDMO C=CCOCCC[N@H+](C)Cc1nc2ccccc2n1C ZINC000348056924 381458873 /nfs/dbraw/zinc/45/88/73/381458873.db2.gz OVIYRXHFBVJMQW-UHFFFAOYSA-N 1 1 273.380 2.598 20 30 CFEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1CCCSCC#N ZINC000348293269 381484516 /nfs/dbraw/zinc/48/45/16/381484516.db2.gz ZHSQNCDCBOFWEJ-ZJUUUORDSA-N 1 1 266.332 2.906 20 30 CFEDMO C=CCCC[N@H+](C)C[C@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000348121741 381464236 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CICOCKPVIZOXLP-OWCLPIDISA-N 1 1 261.413 2.533 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495068329 382957754 /nfs/dbraw/zinc/95/77/54/382957754.db2.gz RIZSSIIUXGZODC-NEPJUHHUSA-N 1 1 288.819 2.974 20 30 CFEDMO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1nc(C2CC2)no1 ZINC000442818890 382958497 /nfs/dbraw/zinc/95/84/97/382958497.db2.gz JMCGIKURHQVVBR-RTXFEEFZSA-N 1 1 274.368 2.926 20 30 CFEDMO C=CCCC[C@@H](C)NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000538288858 382959379 /nfs/dbraw/zinc/95/93/79/382959379.db2.gz RDDGCTRKAUJDRD-CABCVRRESA-N 1 1 281.444 2.761 20 30 CFEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000338238090 382959617 /nfs/dbraw/zinc/95/96/17/382959617.db2.gz XYJNSUFFUGRHDL-JKSUJKDBSA-N 1 1 299.418 2.630 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000539392404 382961422 /nfs/dbraw/zinc/96/14/22/382961422.db2.gz WZGMDAJZYPAPTN-RRFJBIMHSA-N 1 1 281.444 2.855 20 30 CFEDMO C=CC[N@@H+](CCOC[C@H]1CCCO1)CCc1ccco1 ZINC000539816127 382962215 /nfs/dbraw/zinc/96/22/15/382962215.db2.gz KOXHGJHRLBMCPC-MRXNPFEDSA-N 1 1 279.380 2.506 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441427732 382914853 /nfs/dbraw/zinc/91/48/53/382914853.db2.gz HUWHUHXORHDCKB-NWDGAFQWSA-N 1 1 282.347 2.839 20 30 CFEDMO CC(C)[N@H+](CCC#N)Cc1ccc2c(c1)ncn2C ZINC000540507969 382963121 /nfs/dbraw/zinc/96/31/21/382963121.db2.gz UELJMRWXQHQSPK-UHFFFAOYSA-N 1 1 256.353 2.697 20 30 CFEDMO CC(C)[N@@H+](CCC#N)Cc1ccc2c(c1)ncn2C ZINC000540507969 382963123 /nfs/dbraw/zinc/96/31/23/382963123.db2.gz UELJMRWXQHQSPK-UHFFFAOYSA-N 1 1 256.353 2.697 20 30 CFEDMO C[C@H](O)C[N@@H+](Cc1ccc(C#N)o1)Cc1ccccc1 ZINC000534344292 382928275 /nfs/dbraw/zinc/92/82/75/382928275.db2.gz YYUXXCBPRLJFHF-ZDUSSCGKSA-N 1 1 270.332 2.534 20 30 CFEDMO C=CCCC[C@@H](C)NC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000540566132 382963278 /nfs/dbraw/zinc/96/32/78/382963278.db2.gz FMPNKFLNIADZBP-OAHLLOKOSA-N 1 1 281.444 2.857 20 30 CFEDMO C[C@H](CNCc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000338134199 382929774 /nfs/dbraw/zinc/92/97/74/382929774.db2.gz NGBSWQIWTKPUPS-HUUCEWRRSA-N 1 1 271.408 2.911 20 30 CFEDMO C[C@H](CNCc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1C ZINC000338134199 382929776 /nfs/dbraw/zinc/92/97/76/382929776.db2.gz NGBSWQIWTKPUPS-HUUCEWRRSA-N 1 1 271.408 2.911 20 30 CFEDMO C[C@H](c1nc(C2CC2)no1)[NH+]1CCC(CC#N)CC1 ZINC000543807131 382973833 /nfs/dbraw/zinc/97/38/33/382973833.db2.gz MWQYXHWGRPLJOY-SNVBAGLBSA-N 1 1 260.341 2.634 20 30 CFEDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2cccc(C#N)c2F)C1 ZINC000495228187 382973839 /nfs/dbraw/zinc/97/38/39/382973839.db2.gz DAFHUWHAPHGEHT-LRDDRELGSA-N 1 1 276.355 2.680 20 30 CFEDMO CC(=O)NC[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444600179 382974167 /nfs/dbraw/zinc/97/41/67/382974167.db2.gz SPXZNPQTVFZEGM-OAHLLOKOSA-N 1 1 279.428 2.555 20 30 CFEDMO COCC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC(C)C ZINC000579014970 382975968 /nfs/dbraw/zinc/97/59/68/382975968.db2.gz YPCVWTGHGGVQRT-UHFFFAOYSA-N 1 1 291.351 2.571 20 30 CFEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@H](O)C(F)(F)F ZINC000444677566 382976792 /nfs/dbraw/zinc/97/67/92/382976792.db2.gz WOLJCKQPTOUKGV-JTQLQIEISA-N 1 1 266.307 2.561 20 30 CFEDMO CC(C)(O)C[N@@H+](CCCCC(C)(C)C#N)C1CC1 ZINC000444680499 382976813 /nfs/dbraw/zinc/97/68/13/382976813.db2.gz FTLKOVPEQNWBAG-UHFFFAOYSA-N 1 1 252.402 2.942 20 30 CFEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444716890 382978311 /nfs/dbraw/zinc/97/83/11/382978311.db2.gz QIIOADCRYWNIKN-MNOVXSKESA-N 1 1 259.275 2.704 20 30 CFEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444716890 382978315 /nfs/dbraw/zinc/97/83/15/382978315.db2.gz QIIOADCRYWNIKN-MNOVXSKESA-N 1 1 259.275 2.704 20 30 CFEDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)ccc1C#N ZINC000447843085 383016749 /nfs/dbraw/zinc/01/67/49/383016749.db2.gz LDCHACBWIHEJSC-WMLDXEAASA-N 1 1 272.392 2.992 20 30 CFEDMO C[C@@H](C(=O)NCCCC[N@@H+](C)C1CC1)c1cccc(C#N)c1 ZINC000457176866 382980117 /nfs/dbraw/zinc/98/01/17/382980117.db2.gz ZVQWQVHDVLVSQS-CQSZACIVSA-N 1 1 299.418 2.652 20 30 CFEDMO CC#CCC[N@@H+]1CCC[C@]1(CCC)C(=O)OCC ZINC000444779511 382980601 /nfs/dbraw/zinc/98/06/01/382980601.db2.gz YSBRXNBQQSDSET-OAHLLOKOSA-N 1 1 251.370 2.598 20 30 CFEDMO C=CC[C@@H]1[N@H+](CCCN2CCOCC2)CCCC1(C)C ZINC000444777972 382980952 /nfs/dbraw/zinc/98/09/52/382980952.db2.gz UTNKDMFPKUNECY-INIZCTEOSA-N 1 1 280.456 2.775 20 30 CFEDMO C=CC[C@H]1[N@@H+](C[C@@H](O)COC(C)C)CCCC1(C)C ZINC000444784066 382981688 /nfs/dbraw/zinc/98/16/88/382981688.db2.gz MSARNECOXLMLTG-HUUCEWRRSA-N 1 1 269.429 2.839 20 30 CFEDMO CC#CCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000495405205 382985399 /nfs/dbraw/zinc/98/53/99/382985399.db2.gz ZXXPETLCGVVWPN-UONOGXRCSA-N 1 1 280.412 2.635 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCCCC(C)(C)C1 ZINC000446062549 382987733 /nfs/dbraw/zinc/98/77/33/382987733.db2.gz QCYDRGKLQIWPKU-CQSZACIVSA-N 1 1 279.428 2.507 20 30 CFEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000245408583 382999375 /nfs/dbraw/zinc/99/93/75/382999375.db2.gz HYPZTPSANHCEOZ-BLLLJJGKSA-N 1 1 276.355 2.511 20 30 CFEDMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC000495729288 383018813 /nfs/dbraw/zinc/01/88/13/383018813.db2.gz OBCALACWLQUBDD-CRWXNKLISA-N 1 1 293.411 2.666 20 30 CFEDMO CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000245464683 383001915 /nfs/dbraw/zinc/00/19/15/383001915.db2.gz YAKYNGOUGFJFEV-BFYDXBDKSA-N 1 1 293.455 2.941 20 30 CFEDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000495614934 383002460 /nfs/dbraw/zinc/00/24/60/383002460.db2.gz CZZIRUPWVJOFOX-CYBMUJFWSA-N 1 1 281.400 2.527 20 30 CFEDMO Cc1c(C[N@H+](C)[C@H](C)c2cccc(C#N)c2)cnn1C ZINC000447797304 383006854 /nfs/dbraw/zinc/00/68/54/383006854.db2.gz IEOZPVAEXILDDR-GFCCVEGCSA-N 1 1 268.364 2.793 20 30 CFEDMO C=C(C)CC[N@@H+](CC(=O)OC(C)(C)C)C1CCOCC1 ZINC000579361576 383008794 /nfs/dbraw/zinc/00/87/94/383008794.db2.gz YWKOTRHWTANHHM-UHFFFAOYSA-N 1 1 283.412 2.775 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495655356 383008979 /nfs/dbraw/zinc/00/89/79/383008979.db2.gz GTBUURBNLVALJG-CQSZACIVSA-N 1 1 288.819 2.976 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495655356 383008981 /nfs/dbraw/zinc/00/89/81/383008981.db2.gz GTBUURBNLVALJG-CQSZACIVSA-N 1 1 288.819 2.976 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)nc1 ZINC000579371190 383009356 /nfs/dbraw/zinc/00/93/56/383009356.db2.gz YDFODOMWZJVIJZ-KZNAEPCWSA-N 1 1 299.418 2.859 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1CCCO[C@H]1CCCCO1 ZINC000338372231 383010122 /nfs/dbraw/zinc/01/01/22/383010122.db2.gz OVNFKHAKDYBHTI-CABCVRRESA-N 1 1 253.386 2.960 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000495689433 383014058 /nfs/dbraw/zinc/01/40/58/383014058.db2.gz TUCAEGCGKNFFQE-OAHLLOKOSA-N 1 1 278.396 2.533 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457082848 382965447 /nfs/dbraw/zinc/96/54/47/382965447.db2.gz FGCGWMXUEFEURP-ZFWWWQNUSA-N 1 1 252.402 2.530 20 30 CFEDMO C=C(C)CN(CC)c1cc[nH+]c(N2CCCCC2)n1 ZINC000541835999 382966933 /nfs/dbraw/zinc/96/69/33/382966933.db2.gz HJPKNKGISXODOG-UHFFFAOYSA-N 1 1 260.385 2.869 20 30 CFEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NC(C)(C)C#N)cc1 ZINC000542830828 382969530 /nfs/dbraw/zinc/96/95/30/382969530.db2.gz PRGFNUVXUVZDAU-UHFFFAOYSA-N 1 1 287.407 2.950 20 30 CFEDMO CC(C)c1cc(N2CCC(CC#N)CC2)nc(N(C)C)[nH+]1 ZINC000542864603 382969550 /nfs/dbraw/zinc/96/95/50/382969550.db2.gz FPNYKZXFOPCIBO-UHFFFAOYSA-N 1 1 287.411 2.796 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000578971979 382970732 /nfs/dbraw/zinc/97/07/32/382970732.db2.gz PKKCCNWAKRZAKT-ZDUSSCGKSA-N 1 1 250.386 2.696 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)s1 ZINC000245731842 383028446 /nfs/dbraw/zinc/02/84/46/383028446.db2.gz JXGDZSNIXLOKIN-FZMZJTMJSA-N 1 1 262.378 2.621 20 30 CFEDMO C=C(CC)C[N@@H+](Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C ZINC000447908654 383029145 /nfs/dbraw/zinc/02/91/45/383029145.db2.gz ASGQQHDFOHJLIU-SJLPKXTDSA-N 1 1 289.419 2.995 20 30 CFEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2nccnc2C#N)C1 ZINC000338725551 383030860 /nfs/dbraw/zinc/03/08/60/383030860.db2.gz SUIBTUIYTOWEPK-ZFWWWQNUSA-N 1 1 293.374 2.596 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000245747474 383030906 /nfs/dbraw/zinc/03/09/06/383030906.db2.gz NDDZCGBGYYELQB-ZIAGYGMSSA-N 1 1 274.364 2.588 20 30 CFEDMO C#CCC[N@H+](C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000495838417 383033868 /nfs/dbraw/zinc/03/38/68/383033868.db2.gz WKGHWAALYKPWRW-ZDUSSCGKSA-N 1 1 272.348 2.659 20 30 CFEDMO C=CCCCNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000447952138 383034758 /nfs/dbraw/zinc/03/47/58/383034758.db2.gz HAVMHSVNQLHAET-ZNMIVQPWSA-N 1 1 281.444 2.618 20 30 CFEDMO C=CCCCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000447975814 383037291 /nfs/dbraw/zinc/03/72/91/383037291.db2.gz ICBUMQUETBGOKS-KGLIPLIRSA-N 1 1 267.417 2.515 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000245877947 383042891 /nfs/dbraw/zinc/04/28/91/383042891.db2.gz ATQZDLMWYTWBOP-ARFHVFGLSA-N 1 1 293.455 2.857 20 30 CFEDMO C[C@@H]1CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C[C@H]1C ZINC000245888756 383044036 /nfs/dbraw/zinc/04/40/36/383044036.db2.gz JELHQISIPAJWFG-HUUCEWRRSA-N 1 1 291.439 2.649 20 30 CFEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000579727680 383047852 /nfs/dbraw/zinc/04/78/52/383047852.db2.gz UKDMZTZGZWORLC-ACJLOTCBSA-N 1 1 293.370 2.777 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000245926578 383048922 /nfs/dbraw/zinc/04/89/22/383048922.db2.gz RNWDTSHHQNAKTI-QLFBSQMISA-N 1 1 281.444 2.713 20 30 CFEDMO C=C[C@H]1CCCCN1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448255602 383050983 /nfs/dbraw/zinc/05/09/83/383050983.db2.gz JKGBTVQYXJLWGE-GJZGRUSLSA-N 1 1 293.455 2.857 20 30 CFEDMO C=CCCC[C@@H](C)NC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000245958372 383052806 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1 1 291.420 2.652 20 30 CFEDMO CCC[N@@H+](CC)CC(=O)Nc1sc(C)c(C)c1C#N ZINC000267340569 384362876 /nfs/dbraw/zinc/36/28/76/384362876.db2.gz CGGCOQHBEXDRDR-UHFFFAOYSA-N 1 1 279.409 2.907 20 30 CFEDMO C[C@@H]1C[N@@H+](CCCNc2ccc(F)cc2C#N)CCCO1 ZINC000277653949 384366686 /nfs/dbraw/zinc/36/66/86/384366686.db2.gz OLRDNVBSANGUFB-CYBMUJFWSA-N 1 1 291.370 2.610 20 30 CFEDMO CCC[C@]1(CO)CCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000277784744 384405720 /nfs/dbraw/zinc/40/57/20/384405720.db2.gz OAWDQKKUZACQOO-MRXNPFEDSA-N 1 1 276.355 2.824 20 30 CFEDMO C[C@@H](CNc1ccc(C#N)nc1)[N@H+]1CCc2sccc2C1 ZINC000267420500 384388112 /nfs/dbraw/zinc/38/81/12/384388112.db2.gz UKRFMCPHBAEXCP-LBPRGKRZSA-N 1 1 298.415 2.873 20 30 CFEDMO Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000278030469 384462572 /nfs/dbraw/zinc/46/25/72/384462572.db2.gz UIHNMSVRMYUOQO-MRXNPFEDSA-N 1 1 297.402 2.613 20 30 CFEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000267839150 384477613 /nfs/dbraw/zinc/47/76/13/384477613.db2.gz ADEHPFUKRIGAGE-OAHLLOKOSA-N 1 1 284.403 2.634 20 30 CFEDMO CC[C@@H]([NH2+]Cc1nccn1C)c1ccc(C#N)cc1 ZINC000278160462 384486353 /nfs/dbraw/zinc/48/63/53/384486353.db2.gz AWIHMTHBIXANMA-CQSZACIVSA-N 1 1 254.337 2.533 20 30 CFEDMO C=CCC(CC=C)C(=O)NCCC[N@H+](C)C(C)C ZINC000268118077 384535789 /nfs/dbraw/zinc/53/57/89/384535789.db2.gz AQLJGJLTZWSXBV-UHFFFAOYSA-N 1 1 252.402 2.601 20 30 CFEDMO C=CCC(CC=C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000268224819 384570962 /nfs/dbraw/zinc/57/09/62/384570962.db2.gz SCRFJQVYWQODLE-MQVJKMGUSA-N 1 1 276.424 2.886 20 30 CFEDMO C#C[C@H]([NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F)C(C)C ZINC000289312513 197293595 /nfs/dbraw/zinc/29/35/95/197293595.db2.gz DVWQEBIEQSIFDZ-VIFPVBQESA-N 1 1 293.720 2.840 20 30 CFEDMO N#CCSCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000268281835 384589056 /nfs/dbraw/zinc/58/90/56/384589056.db2.gz POUOLIVJSBNLQK-KBPBESRZSA-N 1 1 294.420 2.814 20 30 CFEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1Nc1cccc(F)c1C#N ZINC000268202297 384563570 /nfs/dbraw/zinc/56/35/70/384563570.db2.gz XPUGUPFBQVWZMZ-MEBBXXQBSA-N 1 1 259.328 2.592 20 30 CFEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1cccc(F)c1C#N ZINC000268202290 384563668 /nfs/dbraw/zinc/56/36/68/384563668.db2.gz XPUGUPFBQVWZMZ-BMIGLBTASA-N 1 1 259.328 2.592 20 30 CFEDMO Cc1nnc([C@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)[nH]1 ZINC000268446907 384622928 /nfs/dbraw/zinc/62/29/28/384622928.db2.gz IBSMJPQOOYVLCW-WBMJQRKESA-N 1 1 295.390 2.925 20 30 CFEDMO Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000268446907 384622935 /nfs/dbraw/zinc/62/29/35/384622935.db2.gz IBSMJPQOOYVLCW-WBMJQRKESA-N 1 1 295.390 2.925 20 30 CFEDMO Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000268446907 384622944 /nfs/dbraw/zinc/62/29/44/384622944.db2.gz IBSMJPQOOYVLCW-WBMJQRKESA-N 1 1 295.390 2.925 20 30 CFEDMO Cc1nc([C@H]2CCC[N@@H+]([C@H](C)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000268446907 384622948 /nfs/dbraw/zinc/62/29/48/384622948.db2.gz IBSMJPQOOYVLCW-WBMJQRKESA-N 1 1 295.390 2.925 20 30 CFEDMO Cc1nc([C@H]2CCC[N@H+]([C@H](C)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000268446907 384622955 /nfs/dbraw/zinc/62/29/55/384622955.db2.gz IBSMJPQOOYVLCW-WBMJQRKESA-N 1 1 295.390 2.925 20 30 CFEDMO CC#CCC[N@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000680884708 542378899 /nfs/dbraw/zinc/37/88/99/542378899.db2.gz PGBKQIMNOQIMBA-QGZVFWFLSA-N 1 1 270.420 2.996 20 30 CFEDMO CC#CCCN1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000680884708 542378900 /nfs/dbraw/zinc/37/89/00/542378900.db2.gz PGBKQIMNOQIMBA-QGZVFWFLSA-N 1 1 270.420 2.996 20 30 CFEDMO CC#CCCN1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000680884708 542378904 /nfs/dbraw/zinc/37/89/04/542378904.db2.gz PGBKQIMNOQIMBA-QGZVFWFLSA-N 1 1 270.420 2.996 20 30 CFEDMO CO[C@H](C)C[N@@H+](C)CC#Cc1ccccc1Cl ZINC000353206559 533080644 /nfs/dbraw/zinc/08/06/44/533080644.db2.gz WQAZWNKZNAXCTG-GFCCVEGCSA-N 1 1 251.757 2.658 20 30 CFEDMO Cc1ccnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000268326271 384602185 /nfs/dbraw/zinc/60/21/85/384602185.db2.gz OLAGPARQHJCATO-UHFFFAOYSA-N 1 1 292.386 2.584 20 30 CFEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2ccc(Cl)c(C#N)n2)C1 ZINC000269092284 384725274 /nfs/dbraw/zinc/72/52/74/384725274.db2.gz LUAMCAPDMSPCBE-SMDDNHRTSA-N 1 1 290.798 2.527 20 30 CFEDMO Cc1c(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cnn1C ZINC000268928774 384695452 /nfs/dbraw/zinc/69/54/52/384695452.db2.gz QLGAJWZTMKOUGS-UHFFFAOYSA-N 1 1 280.375 2.765 20 30 CFEDMO C=CCC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000269405720 384755267 /nfs/dbraw/zinc/75/52/67/384755267.db2.gz NFYKRFBDYDQEFD-CVEARBPZSA-N 1 1 272.392 2.904 20 30 CFEDMO CCCCC(N)=[NH+]OCc1cccc(COC)c1 ZINC000269484947 384763996 /nfs/dbraw/zinc/76/39/96/384763996.db2.gz PYEUWMCUVZGYEM-UHFFFAOYSA-N 1 1 250.342 2.812 20 30 CFEDMO C=C[C@@H](C)[NH2+]Cc1nnn(-c2ccccc2)c1C1CC1 ZINC000638749407 384885599 /nfs/dbraw/zinc/88/55/99/384885599.db2.gz OAGLSFDGPVKLNF-GFCCVEGCSA-N 1 1 268.364 2.809 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@](C)(OC)CC1 ZINC000280288101 384961064 /nfs/dbraw/zinc/96/10/64/384961064.db2.gz DYUDDNQZFONLJR-KRWDZBQOSA-N 1 1 288.391 2.958 20 30 CFEDMO C=C[C@H](CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)c1ccccc1 ZINC000644814733 385075812 /nfs/dbraw/zinc/07/58/12/385075812.db2.gz LTNWMUUDSICWJD-DJIMGWMZSA-N 1 1 284.403 2.509 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H]1Cn1c(C)nc2ccccc21 ZINC000270525016 385134016 /nfs/dbraw/zinc/13/40/16/385134016.db2.gz NGJKCAPAAWOUFP-HNNXBMFYSA-N 1 1 267.376 2.832 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](CC)[C@@H](C)Cc2ccsc2)C1=O ZINC000281414358 385194222 /nfs/dbraw/zinc/19/42/22/385194222.db2.gz RHPWBTYLPFNBIG-DZGCQCFKSA-N 1 1 292.448 2.788 20 30 CFEDMO C=C(C)C[NH+]1CCC(NCc2cnccc2C)CC1 ZINC000280793825 385156555 /nfs/dbraw/zinc/15/65/55/385156555.db2.gz GREWHISFDABFQE-UHFFFAOYSA-N 1 1 259.397 2.520 20 30 CFEDMO COCC#CC[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000645021672 385164713 /nfs/dbraw/zinc/16/47/13/385164713.db2.gz ASDPFVPURBTWGW-CQSZACIVSA-N 1 1 263.768 2.779 20 30 CFEDMO C#CCC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000270618845 385167268 /nfs/dbraw/zinc/16/72/68/385167268.db2.gz OPGJMFFRYVBAIY-MRXNPFEDSA-N 1 1 269.344 2.839 20 30 CFEDMO N#Cc1cnc(NC[C@H]2CCC[N@H+]2C2CCCCC2)cn1 ZINC000280844150 385176233 /nfs/dbraw/zinc/17/62/33/385176233.db2.gz XQQWVIJBMVJFOI-OAHLLOKOSA-N 1 1 285.395 2.557 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(F)cc2)C1=O ZINC000282101646 385212145 /nfs/dbraw/zinc/21/21/45/385212145.db2.gz WDHULNAEOFGIBI-HZPDHXFCSA-N 1 1 288.366 2.750 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)cc1 ZINC000282150648 385229165 /nfs/dbraw/zinc/22/91/65/385229165.db2.gz CSIHWCNJIMVWHF-RHSMWYFYSA-N 1 1 273.376 2.698 20 30 CFEDMO C#C[C@H](C)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289110015 197237171 /nfs/dbraw/zinc/23/71/71/197237171.db2.gz CSHJAIAXTFGCDQ-ZOBUZTSGSA-N 1 1 256.393 2.508 20 30 CFEDMO C#C[C@H](C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289110015 197237173 /nfs/dbraw/zinc/23/71/73/197237173.db2.gz CSHJAIAXTFGCDQ-ZOBUZTSGSA-N 1 1 256.393 2.508 20 30 CFEDMO C#C[C@H](C)[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000289110015 197237175 /nfs/dbraw/zinc/23/71/75/197237175.db2.gz CSHJAIAXTFGCDQ-ZOBUZTSGSA-N 1 1 256.393 2.508 20 30 CFEDMO C#CCCC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000270875427 385254209 /nfs/dbraw/zinc/25/42/09/385254209.db2.gz ANHLVVWBQWXVSW-UHFFFAOYSA-N 1 1 276.355 2.888 20 30 CFEDMO COc1cc(C[N@@H+](C)CCc2nccs2)ccc1C#N ZINC000282237725 385255469 /nfs/dbraw/zinc/25/54/69/385255469.db2.gz IWQRTXYXZIHJGS-UHFFFAOYSA-N 1 1 287.388 2.698 20 30 CFEDMO Cc1ccoc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000271042991 385315047 /nfs/dbraw/zinc/31/50/47/385315047.db2.gz PKKDFSUTUPRXAX-UHFFFAOYSA-N 1 1 295.386 2.778 20 30 CFEDMO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC000282285891 385272659 /nfs/dbraw/zinc/27/26/59/385272659.db2.gz IPFMGPVTEZBVKD-IUODEOHRSA-N 1 1 274.364 2.566 20 30 CFEDMO COc1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1C#N ZINC000282294956 385275390 /nfs/dbraw/zinc/27/53/90/385275390.db2.gz LYZREYYJJQYXQF-OAHLLOKOSA-N 1 1 296.374 2.670 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000270985391 385291173 /nfs/dbraw/zinc/29/11/73/385291173.db2.gz SIIWLFKVKVLSGF-CYBMUJFWSA-N 1 1 284.197 2.990 20 30 CFEDMO COC(=O)[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000271714959 385388629 /nfs/dbraw/zinc/38/86/29/385388629.db2.gz BYWNUZZOBADVEQ-KTAKPFMOSA-N 1 1 286.375 2.542 20 30 CFEDMO C#CCCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O ZINC000271074726 385328925 /nfs/dbraw/zinc/32/89/25/385328925.db2.gz WNZUTVIUBGJDDI-INIZCTEOSA-N 1 1 270.376 2.527 20 30 CFEDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)c(OC)c1 ZINC000282509328 385330695 /nfs/dbraw/zinc/33/06/95/385330695.db2.gz YUOFBJXYDPAOJA-SJORKVTESA-N 1 1 299.418 2.625 20 30 CFEDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)c(OC)c1 ZINC000282509328 385330698 /nfs/dbraw/zinc/33/06/98/385330698.db2.gz YUOFBJXYDPAOJA-SJORKVTESA-N 1 1 299.418 2.625 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)o1)C[C@H]1OCCc2ccccc21 ZINC000271137149 385347240 /nfs/dbraw/zinc/34/72/40/385347240.db2.gz NJGSXGBWBVCNEX-QGZVFWFLSA-N 1 1 282.343 2.897 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)o1)C[C@H]1OCCc2ccccc21 ZINC000271137149 385347243 /nfs/dbraw/zinc/34/72/43/385347243.db2.gz NJGSXGBWBVCNEX-QGZVFWFLSA-N 1 1 282.343 2.897 20 30 CFEDMO C#CC[N@@H+](CC)Cc1cnc(C)n1-c1ccccc1 ZINC000271156724 385354719 /nfs/dbraw/zinc/35/47/19/385354719.db2.gz WHHWYZRVMOHZPY-UHFFFAOYSA-N 1 1 253.349 2.636 20 30 CFEDMO C#CC[N@H+](CC)Cc1cnc(C)n1-c1ccccc1 ZINC000271156724 385354722 /nfs/dbraw/zinc/35/47/22/385354722.db2.gz WHHWYZRVMOHZPY-UHFFFAOYSA-N 1 1 253.349 2.636 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](COC)C2)cc1OC ZINC000271201037 385373059 /nfs/dbraw/zinc/37/30/59/385373059.db2.gz UABNESYJBIELBG-OAHLLOKOSA-N 1 1 291.391 2.728 20 30 CFEDMO COCC[N@@H+](CCc1ccccc1)Cc1ccc(C#N)o1 ZINC000271067392 385327998 /nfs/dbraw/zinc/32/79/98/385327998.db2.gz KJGXHKAGCATYLY-UHFFFAOYSA-N 1 1 284.359 2.842 20 30 CFEDMO CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271965097 385412218 /nfs/dbraw/zinc/41/22/18/385412218.db2.gz VICZNMHRZFJGCL-DOMZBBRYSA-N 1 1 275.371 2.832 20 30 CFEDMO CC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000271965097 385412223 /nfs/dbraw/zinc/41/22/23/385412223.db2.gz VICZNMHRZFJGCL-DOMZBBRYSA-N 1 1 275.371 2.832 20 30 CFEDMO C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271963243 385412328 /nfs/dbraw/zinc/41/23/28/385412328.db2.gz RTDQSEYYCCTRSP-SLEUVZQESA-N 1 1 287.382 2.973 20 30 CFEDMO C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000639303371 385430256 /nfs/dbraw/zinc/43/02/56/385430256.db2.gz PSRJEJRVPUGYJZ-NVXWUHKLSA-N 1 1 294.483 2.946 20 30 CFEDMO COc1ccc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)nn1 ZINC000283585070 385478441 /nfs/dbraw/zinc/47/84/41/385478441.db2.gz PJNFMNQWDWERMY-UHFFFAOYSA-N 1 1 296.374 2.767 20 30 CFEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)N1CCCC[C@H]1C ZINC000272230483 385480733 /nfs/dbraw/zinc/48/07/33/385480733.db2.gz DSBZVGVGALPQAH-OAHLLOKOSA-N 1 1 290.407 2.711 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)CC(=O)N1CCCC[C@H]1C ZINC000272230483 385480739 /nfs/dbraw/zinc/48/07/39/385480739.db2.gz DSBZVGVGALPQAH-OAHLLOKOSA-N 1 1 290.407 2.711 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)Cc1cc(C(=O)OC)co1 ZINC000272234545 385481832 /nfs/dbraw/zinc/48/18/32/385481832.db2.gz FIVQGCJGMJHMIC-UHFFFAOYSA-N 1 1 289.331 2.890 20 30 CFEDMO C=CC[N@@H+](CCc1ccco1)CC(=O)N1CCC[C@@H](C)C1 ZINC000272231944 385482356 /nfs/dbraw/zinc/48/23/56/385482356.db2.gz FBVGGKGKLPJUNR-OAHLLOKOSA-N 1 1 290.407 2.569 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)CC(=O)N1CCC[C@@H](C)C1 ZINC000272231944 385482361 /nfs/dbraw/zinc/48/23/61/385482361.db2.gz FBVGGKGKLPJUNR-OAHLLOKOSA-N 1 1 290.407 2.569 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCSc1ccc(C#N)cn1 ZINC000283792904 385499675 /nfs/dbraw/zinc/49/96/75/385499675.db2.gz FXNDPJHHBBPSGH-CYBMUJFWSA-N 1 1 261.394 2.920 20 30 CFEDMO C=CCC[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000272472591 385545667 /nfs/dbraw/zinc/54/56/67/385545667.db2.gz FTJUKTDGPHRQPZ-UHFFFAOYSA-N 1 1 253.349 2.807 20 30 CFEDMO N#Cc1ccccc1N1CCC[N@H+](CCCCF)CC1 ZINC000286159649 385565427 /nfs/dbraw/zinc/56/54/27/385565427.db2.gz XXEPXKGLKNKCKD-UHFFFAOYSA-N 1 1 275.371 2.820 20 30 CFEDMO Cc1ccnc(N(C)CCC[N@@H+](C)Cc2ccco2)c1C#N ZINC000286305108 385585745 /nfs/dbraw/zinc/58/57/45/385585745.db2.gz HRKQRROVWKNVGX-UHFFFAOYSA-N 1 1 298.390 2.813 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000272872475 385637575 /nfs/dbraw/zinc/63/75/75/385637575.db2.gz AULCXGFAGKYAGN-NSHDSACASA-N 1 1 271.286 2.562 20 30 CFEDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc(F)c(C#N)c4)[C@H]1[C@H]3C2 ZINC000286570845 385653500 /nfs/dbraw/zinc/65/35/00/385653500.db2.gz PQDNSTVFGOUHCZ-OHYFQZGNSA-N 1 1 286.350 2.553 20 30 CFEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1ccnc(C#N)c1 ZINC000286574146 385653976 /nfs/dbraw/zinc/65/39/76/385653976.db2.gz RTIUDEMRLQDEEX-CQSZACIVSA-N 1 1 280.375 2.886 20 30 CFEDMO N#CCC1(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)CC1 ZINC000639674357 385655597 /nfs/dbraw/zinc/65/55/97/385655597.db2.gz MIERBUDOTPDVMY-GOSISDBHSA-N 1 1 296.370 2.790 20 30 CFEDMO N#CCC1(C[N@@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)CC1 ZINC000639674357 385655600 /nfs/dbraw/zinc/65/56/00/385655600.db2.gz MIERBUDOTPDVMY-GOSISDBHSA-N 1 1 296.370 2.790 20 30 CFEDMO C=CCC[C@H]([NH2+]Cc1cnn(C)n1)c1ccccc1 ZINC000286870118 385727888 /nfs/dbraw/zinc/72/78/88/385727888.db2.gz BSLLLPMRMSDUIO-HNNXBMFYSA-N 1 1 256.353 2.612 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+]2CC(C)(C)[C@@H]2c2cccs2)C1=O ZINC000286927244 385742358 /nfs/dbraw/zinc/74/23/58/385742358.db2.gz KXPNDDGNJWXWGK-OCCSQVGLSA-N 1 1 290.432 2.918 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+]2CC(C)(C)[C@@H]2c2cccs2)C1=O ZINC000286927244 385742362 /nfs/dbraw/zinc/74/23/62/385742362.db2.gz KXPNDDGNJWXWGK-OCCSQVGLSA-N 1 1 290.432 2.918 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000274311231 385763372 /nfs/dbraw/zinc/76/33/72/385763372.db2.gz XGCFFENKXPXTRW-OLZOCXBDSA-N 1 1 263.385 2.546 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000274311232 385763514 /nfs/dbraw/zinc/76/35/14/385763514.db2.gz XGCFFENKXPXTRW-QWHCGFSZSA-N 1 1 263.385 2.546 20 30 CFEDMO C=C(C)CC[N@H+](CC)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639818511 385723975 /nfs/dbraw/zinc/72/39/75/385723975.db2.gz BEGBTRVLQRKFGP-LBPRGKRZSA-N 1 1 264.335 2.911 20 30 CFEDMO C[C@@H]1C[C@@H](N(C)c2nc(Cl)c(C#N)s2)CC[N@H+]1C ZINC000287268843 385816279 /nfs/dbraw/zinc/81/62/79/385816279.db2.gz LFKVDONCONTDKX-BDAKNGLRSA-N 1 1 284.816 2.587 20 30 CFEDMO C[C@@H](CO)[N@@H+](Cc1cc(C#N)ccc1F)C1CCCC1 ZINC000276268273 385986310 /nfs/dbraw/zinc/98/63/10/385986310.db2.gz CDSCRHLMWJYDFQ-LBPRGKRZSA-N 1 1 276.355 2.823 20 30 CFEDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000276762256 386036238 /nfs/dbraw/zinc/03/62/38/386036238.db2.gz NFNWKHHXAPFNDY-HNNXBMFYSA-N 1 1 295.386 2.895 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)NCc1ccc(C#N)c(OC)c1 ZINC000288462024 197084934 /nfs/dbraw/zinc/08/49/34/197084934.db2.gz DXCUDFNFXLMDBF-AWEZNQCLSA-N 1 1 289.423 2.777 20 30 CFEDMO CCCCN(C)C[C@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000288462024 197084935 /nfs/dbraw/zinc/08/49/35/197084935.db2.gz DXCUDFNFXLMDBF-AWEZNQCLSA-N 1 1 289.423 2.777 20 30 CFEDMO CO[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000276931299 386083832 /nfs/dbraw/zinc/08/38/32/386083832.db2.gz QXTLFGPGLXVUKQ-LBPRGKRZSA-N 1 1 295.180 2.541 20 30 CFEDMO CO[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2Br)C1 ZINC000276931299 386083836 /nfs/dbraw/zinc/08/38/36/386083836.db2.gz QXTLFGPGLXVUKQ-LBPRGKRZSA-N 1 1 295.180 2.541 20 30 CFEDMO CC#CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000288345240 197055330 /nfs/dbraw/zinc/05/53/30/197055330.db2.gz SXFGPILVQINGAM-FUHWJXTLSA-N 1 1 298.430 2.959 20 30 CFEDMO C=C(CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000288237416 197034184 /nfs/dbraw/zinc/03/41/84/197034184.db2.gz QIJLMGYAWFVURE-OAHLLOKOSA-N 1 1 299.418 2.649 20 30 CFEDMO C#CCC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000288217150 197029716 /nfs/dbraw/zinc/02/97/16/197029716.db2.gz NDPVFRWKAFMUSD-WBVHZDCISA-N 1 1 298.430 2.815 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCC(C)=C(Br)C1 ZINC000281257314 195170013 /nfs/dbraw/zinc/17/00/13/195170013.db2.gz VFDYKEXUJZSCEG-NSHDSACASA-N 1 1 274.202 2.688 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCCO[C@H](CC)C1 ZINC000281284088 195180524 /nfs/dbraw/zinc/18/05/24/195180524.db2.gz OPRDKKBOGHAAEU-MRXNPFEDSA-N 1 1 273.376 2.700 20 30 CFEDMO COC[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000246339844 285273134 /nfs/dbraw/zinc/27/31/34/285273134.db2.gz IWXADSKCDMRZHB-DZGCQCFKSA-N 1 1 258.365 2.978 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+](C)CC[C@H](C)c2ccccc2)C1=O ZINC000281388276 195220976 /nfs/dbraw/zinc/22/09/76/195220976.db2.gz WQCUTTJMZAHSGM-DOTOQJQBSA-N 1 1 286.419 2.899 20 30 CFEDMO O[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000177228098 285314335 /nfs/dbraw/zinc/31/43/35/285314335.db2.gz ZUXFIZBZMVKLEY-CQSZACIVSA-N 1 1 283.293 2.514 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682041671 542508373 /nfs/dbraw/zinc/50/83/73/542508373.db2.gz MKBXLGAQBYJQAT-NSHDSACASA-N 1 1 251.292 2.996 20 30 CFEDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCCSCC#N ZINC000336791006 262393518 /nfs/dbraw/zinc/39/35/18/262393518.db2.gz YZFBCCBVFHBWKB-KGLIPLIRSA-N 1 1 270.442 2.649 20 30 CFEDMO COc1cc(C#N)ccc1C[N@@H+](C)CCCSC ZINC000281562899 195289148 /nfs/dbraw/zinc/28/91/48/195289148.db2.gz YJWDACOPNHUYGQ-UHFFFAOYSA-N 1 1 264.394 2.752 20 30 CFEDMO C[C@H]1CC[C@](CO)([N@@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC000187916636 260065509 /nfs/dbraw/zinc/06/55/09/260065509.db2.gz BONDHTJUKCWKJO-YOEHRIQHSA-N 1 1 275.367 2.660 20 30 CFEDMO C#CCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000192124313 130377412 /nfs/dbraw/zinc/37/74/12/130377412.db2.gz CAOZHAFYDREKEG-KRWDZBQOSA-N 1 1 284.403 2.571 20 30 CFEDMO CSc1cc(C[NH2+]Cc2ccc(C#N)o2)ccn1 ZINC000357358209 130451013 /nfs/dbraw/zinc/45/10/13/130451013.db2.gz SNGKVULCIKCZQX-UHFFFAOYSA-N 1 1 259.334 2.558 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C ZINC000263760018 131323969 /nfs/dbraw/zinc/32/39/69/131323969.db2.gz IBRDDNWCCRZKJV-ZDUSSCGKSA-N 1 1 252.402 2.553 20 30 CFEDMO CC(C)[N@@H+](C)Cc1ccccc1CNc1nccnc1C#N ZINC000263919021 131360930 /nfs/dbraw/zinc/36/09/30/131360930.db2.gz UJQPTGWKSNAWAN-UHFFFAOYSA-N 1 1 295.390 2.801 20 30 CFEDMO COCC#CC[N@@H+](C)Cc1ccc(Br)cc1C ZINC000683525619 542688187 /nfs/dbraw/zinc/68/81/87/542688187.db2.gz XWODQAIGPOIBQZ-UHFFFAOYSA-N 1 1 296.208 2.839 20 30 CFEDMO C=CCC[C@H](O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000268445799 132009710 /nfs/dbraw/zinc/00/97/10/132009710.db2.gz HGBSPHRSRGPGPQ-AFBRZQFHSA-N 1 1 295.448 2.744 20 30 CFEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000268608708 132035083 /nfs/dbraw/zinc/03/50/83/132035083.db2.gz XZVPJLAKMLYWOI-MSOLQXFVSA-N 1 1 288.435 2.520 20 30 CFEDMO C=CCC[C@H](O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268608708 132035084 /nfs/dbraw/zinc/03/50/84/132035084.db2.gz XZVPJLAKMLYWOI-MSOLQXFVSA-N 1 1 288.435 2.520 20 30 CFEDMO C=CCC[C@H](O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268608708 132035085 /nfs/dbraw/zinc/03/50/85/132035085.db2.gz XZVPJLAKMLYWOI-MSOLQXFVSA-N 1 1 288.435 2.520 20 30 CFEDMO C=CCC[C@H](O)C[N@H+](CC)Cc1ccc(OC)c(OC)c1 ZINC000268655236 132043371 /nfs/dbraw/zinc/04/33/71/132043371.db2.gz PXVVGKQLLWRLKZ-HNNXBMFYSA-N 1 1 293.407 2.853 20 30 CFEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000268658679 132044095 /nfs/dbraw/zinc/04/40/95/132044095.db2.gz LLSYEZLLCSIEGX-DLBZAZTESA-N 1 1 281.359 2.757 20 30 CFEDMO C[C@H](c1cccc(O)c1)[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000268716977 132055496 /nfs/dbraw/zinc/05/54/96/132055496.db2.gz YWQVXIJMUNIMIM-ACJLOTCBSA-N 1 1 296.370 2.990 20 30 CFEDMO C[C@@H](c1cccc(O)c1)[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268716982 132055573 /nfs/dbraw/zinc/05/55/73/132055573.db2.gz YWQVXIJMUNIMIM-SCLBCKFNSA-N 1 1 296.370 2.990 20 30 CFEDMO C=CCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000269405721 132166425 /nfs/dbraw/zinc/16/64/25/132166425.db2.gz NFYKRFBDYDQEFD-HOTGVXAUSA-N 1 1 272.392 2.904 20 30 CFEDMO C[C@H](CN1CCC[C@H](C)C1)[NH2+]Cc1ccc(C#N)cc1F ZINC000269445022 132172124 /nfs/dbraw/zinc/17/21/24/132172124.db2.gz UPJGEYFCWKWMBQ-UONOGXRCSA-N 1 1 289.398 2.907 20 30 CFEDMO CC1CCN(CC[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000269451703 132172626 /nfs/dbraw/zinc/17/26/26/132172626.db2.gz VZLISJIVSOLGDK-UHFFFAOYSA-N 1 1 275.371 2.519 20 30 CFEDMO CC(C)C[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)N(C)C ZINC000269449877 132173014 /nfs/dbraw/zinc/17/30/14/132173014.db2.gz VLHRPWVPQJQTLV-HNNXBMFYSA-N 1 1 277.387 2.763 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2ccco2)C1 ZINC000374002745 393479940 /nfs/dbraw/zinc/47/99/40/393479940.db2.gz NBXMKUBDKLNWSL-CABCVRRESA-N 1 1 288.391 2.658 20 30 CFEDMO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCCO1 ZINC000178939916 393449351 /nfs/dbraw/zinc/44/93/51/393449351.db2.gz FXBKXCJPMBJTMJ-CYBMUJFWSA-N 1 1 263.768 2.802 20 30 CFEDMO C[C@@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCCO1 ZINC000178939916 393449353 /nfs/dbraw/zinc/44/93/53/393449353.db2.gz FXBKXCJPMBJTMJ-CYBMUJFWSA-N 1 1 263.768 2.802 20 30 CFEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000372676679 393454258 /nfs/dbraw/zinc/45/42/58/393454258.db2.gz RDDFVIKQIFNKJD-FIHXEBHWSA-N 1 1 295.430 2.683 20 30 CFEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC1CC(C#N)(c2ccccc2)C1 ZINC000372676679 393454263 /nfs/dbraw/zinc/45/42/63/393454263.db2.gz RDDFVIKQIFNKJD-FIHXEBHWSA-N 1 1 295.430 2.683 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1ccsc1 ZINC000298726563 393456490 /nfs/dbraw/zinc/45/64/90/393456490.db2.gz FSRJLWBQRFMFJS-YPMHNXCESA-N 1 1 264.394 2.576 20 30 CFEDMO COC[C@H](C)[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000179371295 393465264 /nfs/dbraw/zinc/46/52/64/393465264.db2.gz SCOLDIMFAXMACY-AWEZNQCLSA-N 1 1 275.396 2.503 20 30 CFEDMO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1nccc(C#N)c1Cl ZINC000300297904 393465688 /nfs/dbraw/zinc/46/56/88/393465688.db2.gz KKDXXOQSJFEQSJ-AAEUAGOBSA-N 1 1 290.798 2.670 20 30 CFEDMO 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/nfs/dbraw/zinc/23/26/04/329232604.db2.gz HHHVDLZJTZLDPS-CJNGLKHVSA-N 1 1 277.795 2.927 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000184806972 329263015 /nfs/dbraw/zinc/26/30/15/329263015.db2.gz BALWRKFHSCTLTB-UHFFFAOYSA-N 1 1 286.423 2.924 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@]1(C)C(N)=O ZINC000185969847 329337563 /nfs/dbraw/zinc/33/75/63/329337563.db2.gz RVYUDFKRGBZBHL-GOSISDBHSA-N 1 1 299.418 2.718 20 30 CFEDMO C[C@@H]1CCCC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000187964737 329361847 /nfs/dbraw/zinc/36/18/47/329361847.db2.gz CBJHMKJVGFGXIM-OAHLLOKOSA-N 1 1 291.439 2.793 20 30 CFEDMO N#CCC1CC[NH+](Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000583207820 329365596 /nfs/dbraw/zinc/36/55/96/329365596.db2.gz VJNRFKVMQCVYDM-UHFFFAOYSA-N 1 1 284.319 2.592 20 30 CFEDMO N#CCCC1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000399371599 329451945 /nfs/dbraw/zinc/45/19/45/329451945.db2.gz VKNXCKURNBPFQJ-UHFFFAOYSA-N 1 1 289.354 2.780 20 30 CFEDMO N#CCC[C@H](C#N)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000112560122 329541913 /nfs/dbraw/zinc/54/19/13/329541913.db2.gz XDIKMOMTZXPSCB-CQSZACIVSA-N 1 1 275.396 2.854 20 30 CFEDMO C=CCOc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000127024065 329596371 /nfs/dbraw/zinc/59/63/71/329596371.db2.gz UHWMLGZFFGYNHC-ZIAGYGMSSA-N 1 1 261.365 2.861 20 30 CFEDMO C=CCC1(C(=O)N(C)C[C@H]2CCC[N@H+]2C)CCCC1 ZINC000421709709 330069099 /nfs/dbraw/zinc/06/90/99/330069099.db2.gz GNQVFTCDBWVIPI-CQSZACIVSA-N 1 1 264.413 2.676 20 30 CFEDMO CN(C[C@H]1CCC[N@H+]1C)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000421709696 330069155 /nfs/dbraw/zinc/06/91/55/330069155.db2.gz GLUBPZPEUMCDHG-DLBZAZTESA-N 1 1 299.418 2.627 20 30 CFEDMO C=CCC(C)(C)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000572428764 330071872 /nfs/dbraw/zinc/07/18/72/330071872.db2.gz LJAZNLPJAQJEDN-CQSZACIVSA-N 1 1 266.429 2.969 20 30 CFEDMO C#CCCC[N@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000271040069 330077733 /nfs/dbraw/zinc/07/77/33/330077733.db2.gz MUZYUOIFRXVPFO-MRXNPFEDSA-N 1 1 281.359 2.891 20 30 CFEDMO C#CCCC[N@@H+]1Cc2ccccc2C[C@@H]1c1nnc(C)o1 ZINC000271040069 330077734 /nfs/dbraw/zinc/07/77/34/330077734.db2.gz MUZYUOIFRXVPFO-MRXNPFEDSA-N 1 1 281.359 2.891 20 30 CFEDMO C=CCN1CCC([NH2+]Cc2nn(CC)c3ccccc23)CC1 ZINC000274451938 330105763 /nfs/dbraw/zinc/10/57/63/330105763.db2.gz QYZBFNGWBAHZCF-UHFFFAOYSA-N 1 1 298.434 2.796 20 30 CFEDMO CC#CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000278776794 330118345 /nfs/dbraw/zinc/11/83/45/330118345.db2.gz HBPVXKVSVUVGTG-NVXWUHKLSA-N 1 1 284.403 2.521 20 30 CFEDMO CC#CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000278776800 330122626 /nfs/dbraw/zinc/12/26/26/330122626.db2.gz HBPVXKVSVUVGTG-WBVHZDCISA-N 1 1 284.403 2.521 20 30 CFEDMO CC[C@@H](N)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423455769 330203568 /nfs/dbraw/zinc/20/35/68/330203568.db2.gz CUJMMOYYSFYLGX-KLAILNCOSA-N 1 1 271.408 2.717 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H](C)c2cc(C)ccc2C)nn1 ZINC000424142863 330285594 /nfs/dbraw/zinc/28/55/94/330285594.db2.gz QCUSQMADBMQTFA-CQSZACIVSA-N 1 1 270.380 2.932 20 30 CFEDMO C=CCN(Cc1ccccc1F)C(=O)Cn1c[nH+]cc1C ZINC000528122021 330307260 /nfs/dbraw/zinc/30/72/60/330307260.db2.gz FKTHNTCHWGUABZ-UHFFFAOYSA-N 1 1 287.338 2.545 20 30 CFEDMO C=CCn1cc(C[NH2+]Cc2cc(C)cc(Cl)c2)nn1 ZINC000424167280 330309776 /nfs/dbraw/zinc/30/97/76/330309776.db2.gz CLIXCNQHCDYYHV-UHFFFAOYSA-N 1 1 276.771 2.716 20 30 CFEDMO C=CCn1cc(C[NH2+]Cc2ccc3c(c2)CCCC3)nn1 ZINC000424168928 330310475 /nfs/dbraw/zinc/31/04/75/330310475.db2.gz GXMGALXEHXQSAS-UHFFFAOYSA-N 1 1 282.391 2.633 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H](C)c2sccc2C)nn1 ZINC000424290953 330334730 /nfs/dbraw/zinc/33/47/30/330334730.db2.gz CUTOCVYQJLRSBG-LLVKDONJSA-N 1 1 262.382 2.685 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H](CC)c2cccc(OC)c2)nn1 ZINC000424299476 330336798 /nfs/dbraw/zinc/33/67/98/330336798.db2.gz VHAAVLBGVCNMGU-MRXNPFEDSA-N 1 1 286.379 2.714 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H]2CCc3c2cccc3C)nn1 ZINC000424299727 330336916 /nfs/dbraw/zinc/33/69/16/330336916.db2.gz WESQSGGWEMBHPA-INIZCTEOSA-N 1 1 268.364 2.550 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000117883198 330366311 /nfs/dbraw/zinc/36/63/11/330366311.db2.gz JAYUIXLMYVYGEH-CQSZACIVSA-N 1 1 266.429 2.827 20 30 CFEDMO C=C(C)C(C)(C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000424529240 330366932 /nfs/dbraw/zinc/36/69/32/330366932.db2.gz RTHJVLOBSGOKOQ-UHFFFAOYSA-N 1 1 286.419 2.933 20 30 CFEDMO C=C(C)C(C)(C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000424549063 330374056 /nfs/dbraw/zinc/37/40/56/330374056.db2.gz VLMVQASALLRJAJ-LBPRGKRZSA-N 1 1 264.369 2.601 20 30 CFEDMO C=C(C)C(C)(C)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000424574558 330384900 /nfs/dbraw/zinc/38/49/00/330384900.db2.gz QMCJBEQLYBRSNR-UHFFFAOYSA-N 1 1 286.419 2.763 20 30 CFEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000121201692 330397487 /nfs/dbraw/zinc/39/74/87/330397487.db2.gz HYUDULSZOQSZLJ-VIFPVBQESA-N 1 1 270.735 2.924 20 30 CFEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000121201692 330397488 /nfs/dbraw/zinc/39/74/88/330397488.db2.gz HYUDULSZOQSZLJ-VIFPVBQESA-N 1 1 270.735 2.924 20 30 CFEDMO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC1(C#N)CC1 ZINC000515277280 330474284 /nfs/dbraw/zinc/47/42/84/330474284.db2.gz KHQFPNFQXINHQC-UHFFFAOYSA-N 1 1 294.402 2.942 20 30 CFEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](CC(C)C)C(=O)OCC ZINC000435668543 330659748 /nfs/dbraw/zinc/65/97/48/330659748.db2.gz ZYFKQOAIFSWAGX-ILXRZTDVSA-N 1 1 283.412 2.535 20 30 CFEDMO CCc1nc(C(C)(C)[NH2+]CCCC(C)(C)C#N)no1 ZINC000441260542 330764310 /nfs/dbraw/zinc/76/43/10/330764310.db2.gz WDYIQRRZUILYTH-UHFFFAOYSA-N 1 1 264.373 2.787 20 30 CFEDMO CC(C)(C)OCc1cc(C[NH2+][C@H]2CC[C@@H](C#N)C2)no1 ZINC000442833370 330785877 /nfs/dbraw/zinc/78/58/77/330785877.db2.gz HOSCFIMVRPBVPF-NEPJUHHUSA-N 1 1 277.368 2.772 20 30 CFEDMO CC[C@H](C)[C@H]([NH2+]CCCCC(C)(C)C#N)C(=O)OC ZINC000444667470 330817987 /nfs/dbraw/zinc/81/79/87/330817987.db2.gz CRSRTXRUKCHYMJ-STQMWFEESA-N 1 1 268.401 2.884 20 30 CFEDMO CC[C@@H](C)[C@H]([NH2+]CCCCC(C)(C)C#N)C(=O)OC ZINC000444682988 330819035 /nfs/dbraw/zinc/81/90/35/330819035.db2.gz CRSRTXRUKCHYMJ-OLZOCXBDSA-N 1 1 268.401 2.884 20 30 CFEDMO C=CC[NH+](CC=C)C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449002248 330890670 /nfs/dbraw/zinc/89/06/70/330890670.db2.gz KADTZBYAEGYDPJ-AWEZNQCLSA-N 1 1 293.432 2.868 20 30 CFEDMO C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)N1CCN(CC)CC1 ZINC000449074008 330897225 /nfs/dbraw/zinc/89/72/25/330897225.db2.gz AXZVMSHZWYULBS-IAGOWNOFSA-N 1 1 281.488 2.737 20 30 CFEDMO N#CC1(C[NH2+][C@H](CO)c2ccc(Cl)cc2)CCC1 ZINC000450712279 330994947 /nfs/dbraw/zinc/99/49/47/330994947.db2.gz QMTLEUCRXJSGBU-CYBMUJFWSA-N 1 1 264.756 2.657 20 30 CFEDMO COCC[N@@H+](C[C@@H]1CC=CCC1)CC1(C#N)CCC1 ZINC000450838840 331002078 /nfs/dbraw/zinc/00/20/78/331002078.db2.gz PRYAHCPAGBDTIW-OAHLLOKOSA-N 1 1 262.397 2.985 20 30 CFEDMO C=CC[C@H]1[N@H+](C[C@@H]2CCNC(=O)CC2)CCCC1(C)C ZINC000450859280 331003396 /nfs/dbraw/zinc/00/33/96/331003396.db2.gz BGQZHKUMJSOHRE-LSDHHAIUSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CCOCCC[N@H+]1CCC=C(c2cccnc2)C1 ZINC000451029211 331012506 /nfs/dbraw/zinc/01/25/06/331012506.db2.gz UBHUXRCRLJOJIW-UHFFFAOYSA-N 1 1 258.365 2.763 20 30 CFEDMO C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)CC(C)(C)C#N ZINC000451067178 331014686 /nfs/dbraw/zinc/01/46/86/331014686.db2.gz WOFWJKZTHGMIBN-HIFRSBDPSA-N 1 1 260.381 2.633 20 30 CFEDMO C=C(C)CC[N@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451278466 331022766 /nfs/dbraw/zinc/02/27/66/331022766.db2.gz CPDCRJTUOHQZGX-CVEARBPZSA-N 1 1 263.356 2.753 20 30 CFEDMO CC[N@H+](Cc1ccccc1C(C)(C)C#N)C1COC1 ZINC000451284113 331023059 /nfs/dbraw/zinc/02/30/59/331023059.db2.gz JNSCPTLGCRSVAK-UHFFFAOYSA-N 1 1 258.365 2.708 20 30 CFEDMO CC[N@@H+](Cc1ccccc1C(C)(C)C#N)C1COC1 ZINC000451284113 331023060 /nfs/dbraw/zinc/02/30/60/331023060.db2.gz JNSCPTLGCRSVAK-UHFFFAOYSA-N 1 1 258.365 2.708 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451288078 331023273 /nfs/dbraw/zinc/02/32/73/331023273.db2.gz VLMJMPZIJHFJPN-DOTOQJQBSA-N 1 1 290.382 2.726 20 30 CFEDMO C=C(CC)C[N@H+]1C[C@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000451418931 331028633 /nfs/dbraw/zinc/02/86/33/331028633.db2.gz NOSLAYGBVXYDFN-MRXNPFEDSA-N 1 1 289.423 2.582 20 30 CFEDMO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000451602151 331035936 /nfs/dbraw/zinc/03/59/36/331035936.db2.gz WOJYUKISBUBIDJ-YUTCNCBUSA-N 1 1 285.347 2.731 20 30 CFEDMO CCCC[N@@H+](CCOCCC#N)[C@@H]1CCCC[C@H]1OC ZINC000451649440 331037731 /nfs/dbraw/zinc/03/77/31/331037731.db2.gz IDUNSMRPLRPMMY-HZPDHXFCSA-N 1 1 282.428 2.976 20 30 CFEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000451822977 331043839 /nfs/dbraw/zinc/04/38/39/331043839.db2.gz LVLJMAUTCXUYCB-PBHICJAKSA-N 1 1 291.439 2.697 20 30 CFEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451956454 331048297 /nfs/dbraw/zinc/04/82/97/331048297.db2.gz CWDGPGWULKNTOX-ZIAGYGMSSA-N 1 1 263.410 2.649 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451963290 331048349 /nfs/dbraw/zinc/04/83/49/331048349.db2.gz HJTNNJVTSJSGSX-UONOGXRCSA-N 1 1 255.427 2.533 20 30 CFEDMO C=CCCCCC[NH2+]C(C)(C)CN1CCN(CC)CC1 ZINC000451979858 331049435 /nfs/dbraw/zinc/04/94/35/331049435.db2.gz GYBJOHCHROCBIY-UHFFFAOYSA-N 1 1 281.488 2.739 20 30 CFEDMO COC[C@@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000452110164 331054620 /nfs/dbraw/zinc/05/46/20/331054620.db2.gz YFOICNSRDMFYRJ-MRXNPFEDSA-N 1 1 275.367 2.926 20 30 CFEDMO C=C(C)CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000452725761 331074353 /nfs/dbraw/zinc/07/43/53/331074353.db2.gz SZOGOGNDONJARF-MRXNPFEDSA-N 1 1 272.392 2.733 20 30 CFEDMO C=CC(C)(C)CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000452774826 331076197 /nfs/dbraw/zinc/07/61/97/331076197.db2.gz MKTWYUGEZKPVHU-AWEZNQCLSA-N 1 1 286.419 2.762 20 30 CFEDMO C=CC(C)(C)CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000452774826 331076198 /nfs/dbraw/zinc/07/61/98/331076198.db2.gz MKTWYUGEZKPVHU-AWEZNQCLSA-N 1 1 286.419 2.762 20 30 CFEDMO C=CC(C)(C)CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000452775816 331076508 /nfs/dbraw/zinc/07/65/08/331076508.db2.gz PKAMJNLQVIQHJP-OAHLLOKOSA-N 1 1 272.392 2.589 20 30 CFEDMO C=CC(C)(C)CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000452775816 331076509 /nfs/dbraw/zinc/07/65/09/331076509.db2.gz PKAMJNLQVIQHJP-OAHLLOKOSA-N 1 1 272.392 2.589 20 30 CFEDMO C=CC(C)(C)CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000456118745 331184721 /nfs/dbraw/zinc/18/47/21/331184721.db2.gz QWXJKLBOXGGMSY-UHFFFAOYSA-N 1 1 263.385 2.725 20 30 CFEDMO C=CCC1(CNC(=O)[C@H](C)[NH+]2CCSCC2)CCCC1 ZINC000456486320 331193832 /nfs/dbraw/zinc/19/38/32/331193832.db2.gz NIAHFBHIPSPPQC-AWEZNQCLSA-N 1 1 296.480 2.676 20 30 CFEDMO C=CCC1(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)CCCC1 ZINC000456490074 331194059 /nfs/dbraw/zinc/19/40/59/331194059.db2.gz WIOKNLFADPRBCC-CQSZACIVSA-N 1 1 296.480 2.676 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000458623276 331254474 /nfs/dbraw/zinc/25/44/74/331254474.db2.gz QKBGDGNSMNZQTA-GJZGRUSLSA-N 1 1 281.444 2.855 20 30 CFEDMO C=CCC(C)(C)CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000458810223 331260794 /nfs/dbraw/zinc/26/07/94/331260794.db2.gz MPXQDCOOTJVNAQ-CABCVRRESA-N 1 1 293.455 2.714 20 30 CFEDMO C=CC(C)(C)CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000458988867 331264324 /nfs/dbraw/zinc/26/43/24/331264324.db2.gz OIKMPCCDRUYNCM-OAHLLOKOSA-N 1 1 293.455 2.572 20 30 CFEDMO CC(C)[C@H](NC(=O)C[NH2+][C@H]1CCC[C@@H]1C#N)c1ccccc1 ZINC000459461093 331282619 /nfs/dbraw/zinc/28/26/19/331282619.db2.gz KBSBZPCMAXQNFT-RYRKJORJSA-N 1 1 299.418 2.782 20 30 CFEDMO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000459461268 331282649 /nfs/dbraw/zinc/28/26/49/331282649.db2.gz JGQJGXATJGNHHG-MNOVXSKESA-N 1 1 280.274 2.790 20 30 CFEDMO N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000459461269 331282708 /nfs/dbraw/zinc/28/27/08/331282708.db2.gz JGQJGXATJGNHHG-QWRGUYRKSA-N 1 1 280.274 2.790 20 30 CFEDMO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459473899 331283703 /nfs/dbraw/zinc/28/37/03/331283703.db2.gz VQUVVRJOXAKEFG-USXIJHARSA-N 1 1 299.418 2.705 20 30 CFEDMO C=CCOCC[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000459756824 331298742 /nfs/dbraw/zinc/29/87/42/331298742.db2.gz HECUHJAYOFKTOG-CYBMUJFWSA-N 1 1 251.345 2.891 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000459765733 331299387 /nfs/dbraw/zinc/29/93/87/331299387.db2.gz OGAYJHKPIAWULI-ZFWWWQNUSA-N 1 1 261.390 2.941 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1Cc2ccc(Cl)cc2C1 ZINC000459772832 331299785 /nfs/dbraw/zinc/29/97/85/331299785.db2.gz URLMAVPYCYSBEO-AWEZNQCLSA-N 1 1 251.757 2.983 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1Cc2ccc(Cl)cc2C1 ZINC000459772832 331299786 /nfs/dbraw/zinc/29/97/86/331299786.db2.gz URLMAVPYCYSBEO-AWEZNQCLSA-N 1 1 251.757 2.983 20 30 CFEDMO C=C(C)CN(CC)C(=O)N[C@H](C)C[N@H+](C)CCCC ZINC000462007478 331316747 /nfs/dbraw/zinc/31/67/47/331316747.db2.gz GUXHMYPHZBBFIG-CQSZACIVSA-N 1 1 269.433 2.714 20 30 CFEDMO C=CCn1cccc1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000488999256 332037124 /nfs/dbraw/zinc/03/71/24/332037124.db2.gz CNSBPRIPDXWAQW-HNNXBMFYSA-N 1 1 289.423 2.524 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCCc1ccc(F)cc1 ZINC000489440658 332052868 /nfs/dbraw/zinc/05/28/68/332052868.db2.gz BZDNIFZDTXZNNK-MRXNPFEDSA-N 1 1 290.382 2.525 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(C)[C@H](C)CC(C)C ZINC000489470405 332054697 /nfs/dbraw/zinc/05/46/97/332054697.db2.gz CIAFCRMXUWAGBV-CABCVRRESA-N 1 1 266.429 2.920 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(CCC)CCC ZINC000489512153 332057543 /nfs/dbraw/zinc/05/75/43/332057543.db2.gz OCCQKRLTOLREFB-AWEZNQCLSA-N 1 1 252.402 2.676 20 30 CFEDMO C#CC[N@@H+](CCCC1(C#N)CCOCC1)C1CCCC1 ZINC000490670883 332101632 /nfs/dbraw/zinc/10/16/32/332101632.db2.gz OBOHURRETKZHRJ-UHFFFAOYSA-N 1 1 274.408 2.965 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000490918189 332129202 /nfs/dbraw/zinc/12/92/02/332129202.db2.gz VSPFRZOFTUBBTB-ZDUSSCGKSA-N 1 1 268.401 2.751 20 30 CFEDMO C#CC[N@@H+](CCCO[C@@H]1CCCCO1)C1CCCC1 ZINC000491100043 332149904 /nfs/dbraw/zinc/14/99/04/332149904.db2.gz FGXCRXTWZRBYKO-MRXNPFEDSA-N 1 1 265.397 2.798 20 30 CFEDMO C#C[C@@H](NC1CC[NH+](C(C)(C)C)CC1)C(C)(C)C ZINC000491231267 332170855 /nfs/dbraw/zinc/17/08/55/332170855.db2.gz RPVOKZZUTWFYKC-CQSZACIVSA-N 1 1 250.430 2.887 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000491326996 332190829 /nfs/dbraw/zinc/19/08/29/332190829.db2.gz RZOKGEKWGSXAKS-SNVBAGLBSA-N 1 1 259.378 2.727 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(C2CC2)nc2sccn12 ZINC000491326996 332190831 /nfs/dbraw/zinc/19/08/31/332190831.db2.gz RZOKGEKWGSXAKS-SNVBAGLBSA-N 1 1 259.378 2.727 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000491372537 332199133 /nfs/dbraw/zinc/19/91/33/332199133.db2.gz JLDLBOAXWWHUSN-GFCCVEGCSA-N 1 1 299.330 2.746 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000491438468 332211163 /nfs/dbraw/zinc/21/11/63/332211163.db2.gz CNUGESREJAANNK-WCQYABFASA-N 1 1 285.309 2.562 20 30 CFEDMO C#CC[N@H+](CCC(=O)N1CCC[C@H]1C)Cc1ccccc1 ZINC000491620407 332246265 /nfs/dbraw/zinc/24/62/65/332246265.db2.gz CEMVNSITXNFYTE-MRXNPFEDSA-N 1 1 284.403 2.523 20 30 CFEDMO C#CCNC(=O)CC[N@H+]1CC(C)(C)C[C@@H]1c1ccccc1 ZINC000491641466 332260978 /nfs/dbraw/zinc/26/09/78/332260978.db2.gz RCEQWALNMRYBGP-MRXNPFEDSA-N 1 1 284.403 2.599 20 30 CFEDMO C#C[C@H](C)[N@H+](C)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000491671739 332278768 /nfs/dbraw/zinc/27/87/68/332278768.db2.gz XJEIVLBFAZDALD-UONOGXRCSA-N 1 1 298.386 2.906 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000491671739 332278770 /nfs/dbraw/zinc/27/87/70/332278770.db2.gz XJEIVLBFAZDALD-UONOGXRCSA-N 1 1 298.386 2.906 20 30 CFEDMO C#C[C@H](CC)[NH2+][C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000491692936 332289339 /nfs/dbraw/zinc/28/93/39/332289339.db2.gz CAJRSAXKDONEDB-HZPDHXFCSA-N 1 1 272.392 2.598 20 30 CFEDMO C#CC[N@H+](CCC(=O)Nc1cccnc1)C1CCCCC1 ZINC000491693228 332289595 /nfs/dbraw/zinc/28/95/95/332289595.db2.gz SYBVMMRHENUBDM-UHFFFAOYSA-N 1 1 285.391 2.678 20 30 CFEDMO C#CC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)C1CC1 ZINC000491737650 332317292 /nfs/dbraw/zinc/31/72/92/332317292.db2.gz VPOPKKYZSKZKJB-UHFFFAOYSA-N 1 1 279.767 2.955 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]([C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000491740342 332319451 /nfs/dbraw/zinc/31/94/51/332319451.db2.gz YJJSXCNQUNMKIZ-CABCVRRESA-N 1 1 292.423 2.589 20 30 CFEDMO C#CC[N@H+](CCc1cncn1C)[C@H]1CCc2ccccc21 ZINC000491784226 332347462 /nfs/dbraw/zinc/34/74/62/332347462.db2.gz QIJRBNIIIMQZPY-SFHVURJKSA-N 1 1 279.387 2.585 20 30 CFEDMO CC[C@](C)(C#N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336711984 335114332 /nfs/dbraw/zinc/11/43/32/335114332.db2.gz LQBFEKVVDOMVFU-FUHWJXTLSA-N 1 1 299.418 2.565 20 30 CFEDMO CC(C)(C)OC(=O)[C@H]1CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000178507020 333074525 /nfs/dbraw/zinc/07/45/25/333074525.db2.gz OHVRJIRNJBHRDB-ZDUSSCGKSA-N 1 1 280.412 2.980 20 30 CFEDMO C=CC(C)(C)CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000517390370 333098525 /nfs/dbraw/zinc/09/85/25/333098525.db2.gz AQDATFVKMNOYQZ-INIZCTEOSA-N 1 1 286.419 2.837 20 30 CFEDMO CC(C)C[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1CCCC1 ZINC000521196526 333114667 /nfs/dbraw/zinc/11/46/67/333114667.db2.gz LKZVMODDJSYNAC-KRWDZBQOSA-N 1 1 293.455 2.941 20 30 CFEDMO N#CC1(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000521289342 333117122 /nfs/dbraw/zinc/11/71/22/333117122.db2.gz FKAOQPAYTFRWSB-CQSZACIVSA-N 1 1 283.375 2.641 20 30 CFEDMO N#CC1(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)CC1 ZINC000521289336 333117169 /nfs/dbraw/zinc/11/71/69/333117169.db2.gz FKAOQPAYTFRWSB-AWEZNQCLSA-N 1 1 283.375 2.641 20 30 CFEDMO C#CC[N@H+](CCOCC(F)(F)C(F)F)C1CCCC1 ZINC000189543644 333194875 /nfs/dbraw/zinc/19/48/75/333194875.db2.gz CJIMMPAIDSAFCF-UHFFFAOYSA-N 1 1 281.293 2.781 20 30 CFEDMO C#CC[N@@H+](Cc1cnn(C)c1)[C@H]1CCc2ccccc21 ZINC000195081136 333244979 /nfs/dbraw/zinc/24/49/79/333244979.db2.gz BKNMFRSDQCFYTR-KRWDZBQOSA-N 1 1 265.360 2.543 20 30 CFEDMO C#CC[N@H+](Cc1cnn(C)c1)[C@H]1CCc2ccccc21 ZINC000195081136 333244980 /nfs/dbraw/zinc/24/49/80/333244980.db2.gz BKNMFRSDQCFYTR-KRWDZBQOSA-N 1 1 265.360 2.543 20 30 CFEDMO CCC[N@@H+](CCCCC(C)(C)C#N)CC(=O)N(C)C ZINC000233041828 333347834 /nfs/dbraw/zinc/34/78/34/333347834.db2.gz VLNDPKGTDQBPBG-UHFFFAOYSA-N 1 1 267.417 2.507 20 30 CFEDMO COCc1cnc(C[NH+]2CCC(CCC#N)CC2)s1 ZINC000576041480 335144724 /nfs/dbraw/zinc/14/47/24/335144724.db2.gz GKPHOPYCCVZJAW-UHFFFAOYSA-N 1 1 279.409 2.805 20 30 CFEDMO C=CCn1c(C)nnc1SCCCCn1cc[nH+]c1C ZINC000124616163 333560443 /nfs/dbraw/zinc/56/04/43/333560443.db2.gz GGORELCRJYXRIC-UHFFFAOYSA-N 1 1 291.424 2.850 20 30 CFEDMO C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(CC#N)CC1 ZINC000542880481 333847572 /nfs/dbraw/zinc/84/75/72/333847572.db2.gz DBPDECCYBOHFOF-AWEZNQCLSA-N 1 1 295.390 2.954 20 30 CFEDMO C[C@@H](C#N)C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000543623472 333885362 /nfs/dbraw/zinc/88/53/62/333885362.db2.gz FEFXSYLHWJLVAZ-ZDUSSCGKSA-N 1 1 251.333 2.998 20 30 CFEDMO Cc1cccc(NC(=O)C[NH+]2CCC(CC#N)CC2)c1C ZINC000543806735 333900726 /nfs/dbraw/zinc/90/07/26/333900726.db2.gz JCNMXDVJRNOISZ-UHFFFAOYSA-N 1 1 285.391 2.868 20 30 CFEDMO N#CCC1CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000546757301 334050062 /nfs/dbraw/zinc/05/00/62/334050062.db2.gz PMRDJQLELHVFAJ-UHFFFAOYSA-N 1 1 285.395 2.597 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000134018067 334077637 /nfs/dbraw/zinc/07/76/37/334077637.db2.gz BXXIFWKKTIWSMJ-OLZOCXBDSA-N 1 1 268.401 2.798 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H]2CCCC(C)(C)C2)C1=O ZINC000547405764 334086047 /nfs/dbraw/zinc/08/60/47/334086047.db2.gz SWRXDPMDQJTCQR-HUUCEWRRSA-N 1 1 278.440 2.922 20 30 CFEDMO C=CCOCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548423743 334155306 /nfs/dbraw/zinc/15/53/06/334155306.db2.gz PBDCOKRPEVCFQI-UHFFFAOYSA-N 1 1 276.336 2.546 20 30 CFEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000246914687 334271829 /nfs/dbraw/zinc/27/18/29/334271829.db2.gz MSUGRURKHQHIEN-JLJPHGGASA-N 1 1 291.439 2.695 20 30 CFEDMO CCN(CC[C@H](C)[N@@H+](CC)C[C@H](C)C#N)C[C@H](C)C#N ZINC000245743186 334216404 /nfs/dbraw/zinc/21/64/04/334216404.db2.gz FJZQLOPMTBWMBA-OAGGEKHMSA-N 1 1 278.444 2.728 20 30 CFEDMO CCN(C[C@H](C)C#N)[C@@H](C)CC[N@H+](CC)C[C@H](C)C#N ZINC000245743186 334216405 /nfs/dbraw/zinc/21/64/05/334216405.db2.gz FJZQLOPMTBWMBA-OAGGEKHMSA-N 1 1 278.444 2.728 20 30 CFEDMO CCN(C[C@H](C)C#N)[C@@H](C)CC[N@@H+](CC)C[C@H](C)C#N ZINC000245743186 334216406 /nfs/dbraw/zinc/21/64/06/334216406.db2.gz FJZQLOPMTBWMBA-OAGGEKHMSA-N 1 1 278.444 2.728 20 30 CFEDMO CCN1CC[C@@H]([N@H+](C)CCCC(C)(C)C#N)[C@@H](C)C1 ZINC000247004065 334273744 /nfs/dbraw/zinc/27/37/44/334273744.db2.gz LDFKDYNXGALCDT-LSDHHAIUSA-N 1 1 265.445 2.978 20 30 CFEDMO CCN1CC[C@@H]([N@@H+](C)CCCC(C)(C)C#N)[C@@H](C)C1 ZINC000247004065 334273745 /nfs/dbraw/zinc/27/37/45/334273745.db2.gz LDFKDYNXGALCDT-LSDHHAIUSA-N 1 1 265.445 2.978 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000246203441 334240501 /nfs/dbraw/zinc/24/05/01/334240501.db2.gz WIKRTWXAXNETCM-JYYAWHABSA-N 1 1 291.439 2.694 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000246759196 334269103 /nfs/dbraw/zinc/26/91/03/334269103.db2.gz NIUJKRVEMRNGLM-CVEARBPZSA-N 1 1 296.455 2.596 20 30 CFEDMO C[C@H](CC#N)[N@@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000247564472 334285784 /nfs/dbraw/zinc/28/57/84/334285784.db2.gz LAPLQWCDDBQUKG-ZIAGYGMSSA-N 1 1 295.427 2.867 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000248643747 334310639 /nfs/dbraw/zinc/31/06/39/334310639.db2.gz ZDHUPHRPQLPWJD-CABCVRRESA-N 1 1 266.429 2.683 20 30 CFEDMO C#CC[N@H+](C[C@@H](O)CC(F)(F)F)[C@H]1CCc2ccccc21 ZINC000249497077 334334755 /nfs/dbraw/zinc/33/47/55/334334755.db2.gz WHSLZOURXPYFHX-ZFWWWQNUSA-N 1 1 297.320 2.922 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)[C@@H](C(N)=O)C1 ZINC000249553287 334336379 /nfs/dbraw/zinc/33/63/79/334336379.db2.gz IUBKXBSHKMADCF-XJKSGUPXSA-N 1 1 299.418 2.574 20 30 CFEDMO CCC(=O)Nc1cccc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000554552325 334437679 /nfs/dbraw/zinc/43/76/79/334437679.db2.gz SLUTYHFRSALLHZ-AWEZNQCLSA-N 1 1 284.363 2.568 20 30 CFEDMO C=CCC[C@H]([NH2+][C@@H]1CC=C(C)CC1)C(=O)OCC ZINC000556173660 334498138 /nfs/dbraw/zinc/49/81/38/334498138.db2.gz SHXPUXDLRRCVEV-KGLIPLIRSA-N 1 1 251.370 2.973 20 30 CFEDMO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)NCCC1=CCCCC1 ZINC000565172331 334542361 /nfs/dbraw/zinc/54/23/61/334542361.db2.gz QXXQEUKBWYAQPJ-HIFRSBDPSA-N 1 1 277.412 2.663 20 30 CFEDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(CC#N)cc1 ZINC000342688632 335185692 /nfs/dbraw/zinc/18/56/92/335185692.db2.gz BNUCIUPXKVKJQQ-XJKSGUPXSA-N 1 1 258.365 2.752 20 30 CFEDMO C=CCCCC[N@@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000576311818 335188160 /nfs/dbraw/zinc/18/81/60/335188160.db2.gz FNXNSOPZRVPYJF-OAHLLOKOSA-N 1 1 252.402 2.581 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([NH2+]Cc2nnc(-c3ccccc3)s2)C1 ZINC000576423843 335202044 /nfs/dbraw/zinc/20/20/44/335202044.db2.gz JVNGMGGGYYDBDK-DGCLKSJQSA-N 1 1 284.388 2.987 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000180504982 335600599 /nfs/dbraw/zinc/60/05/99/335600599.db2.gz KQRGPGGTGGMWOO-KGLIPLIRSA-N 1 1 292.427 2.872 20 30 CFEDMO COC[C@@H](C#N)Nc1ccc([NH+]2CCCC2)cc1C ZINC000181326393 335758128 /nfs/dbraw/zinc/75/81/28/335758128.db2.gz QDVYLRDSTUAWEE-CYBMUJFWSA-N 1 1 259.353 2.546 20 30 CFEDMO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000579608334 335821114 /nfs/dbraw/zinc/82/11/14/335821114.db2.gz QDBSCEXRMUIYCL-GDBMZVCRSA-N 1 1 287.407 2.624 20 30 CFEDMO C[C@H](C(=O)N[C@@H](CCCC#N)c1ccccc1)[NH+]1CC(C)C1 ZINC000581019938 335997656 /nfs/dbraw/zinc/99/76/56/335997656.db2.gz CKPWRGVBWZGLRA-WBVHZDCISA-N 1 1 299.418 2.878 20 30 CFEDMO C=CCCC[N@@H+]1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC000194865514 336039656 /nfs/dbraw/zinc/03/96/56/336039656.db2.gz NKIJKKIPNSRXHI-OAHLLOKOSA-N 1 1 253.386 2.864 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1=CCCCCC1 ZINC001085563351 782101197 /nfs/dbraw/zinc/10/11/97/782101197.db2.gz LCRHGEDGPPVYFU-OAHLLOKOSA-N 1 1 262.397 2.596 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1CC ZINC001085571528 782102746 /nfs/dbraw/zinc/10/27/46/782102746.db2.gz FOJAZAJQXIHFKQ-AWEZNQCLSA-N 1 1 290.407 2.955 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC2(CC2)C1 ZINC001085594158 782110098 /nfs/dbraw/zinc/11/00/98/782110098.db2.gz AHAOVQOKSMIRDP-HZPDHXFCSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc2occc2c1 ZINC001085611662 782114106 /nfs/dbraw/zinc/11/41/06/782114106.db2.gz YJIFOXVRUJTPKD-HNNXBMFYSA-N 1 1 284.359 2.765 20 30 CFEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2occc2c1 ZINC001085611662 782114115 /nfs/dbraw/zinc/11/41/15/782114115.db2.gz YJIFOXVRUJTPKD-HNNXBMFYSA-N 1 1 284.359 2.765 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C)c1F ZINC001085610578 782114583 /nfs/dbraw/zinc/11/45/83/782114583.db2.gz XCQACIONHCQBQN-AWEZNQCLSA-N 1 1 290.382 2.857 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001085633095 782122983 /nfs/dbraw/zinc/12/29/83/782122983.db2.gz LWPBYXFYZMKKKO-CHWSQXEVSA-N 1 1 286.366 2.531 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc2cnccc2o1 ZINC001085700000 782137229 /nfs/dbraw/zinc/13/72/29/782137229.db2.gz BNYIFWQMEBJUAO-CQSZACIVSA-N 1 1 299.374 2.550 20 30 CFEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)ccc1F ZINC001085708653 782139214 /nfs/dbraw/zinc/13/92/14/782139214.db2.gz ODDXJSUUBCWFJH-LBPRGKRZSA-N 1 1 296.773 2.811 20 30 CFEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(Cl)ccc1F ZINC001085708653 782139221 /nfs/dbraw/zinc/13/92/21/782139221.db2.gz ODDXJSUUBCWFJH-LBPRGKRZSA-N 1 1 296.773 2.811 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1CCC ZINC001085713777 782141374 /nfs/dbraw/zinc/14/13/74/782141374.db2.gz SKBHHITYKPDNEC-KRWDZBQOSA-N 1 1 298.430 2.809 20 30 CFEDMO CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCCCCC1 ZINC001085715945 782142550 /nfs/dbraw/zinc/14/25/50/782142550.db2.gz YLVAAANVDWRFGS-KRWDZBQOSA-N 1 1 290.451 2.903 20 30 CFEDMO CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CCCCCCC1 ZINC001085715945 782142560 /nfs/dbraw/zinc/14/25/60/782142560.db2.gz YLVAAANVDWRFGS-KRWDZBQOSA-N 1 1 290.451 2.903 20 30 CFEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001085742678 782149564 /nfs/dbraw/zinc/14/95/64/782149564.db2.gz WFQHCYMIFCJGOK-STQMWFEESA-N 1 1 286.366 2.531 20 30 CFEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCCC1(F)F ZINC001085742678 782149570 /nfs/dbraw/zinc/14/95/70/782149570.db2.gz WFQHCYMIFCJGOK-STQMWFEESA-N 1 1 286.366 2.531 20 30 CFEDMO C#Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+]2CCCC)cc1 ZINC001085757561 782152982 /nfs/dbraw/zinc/15/29/82/782152982.db2.gz KLPOIHOTFKCGCN-QGZVFWFLSA-N 1 1 284.403 2.614 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)co1 ZINC001085776389 782157096 /nfs/dbraw/zinc/15/70/96/782157096.db2.gz QFCABHIDBHVGQX-CQSZACIVSA-N 1 1 276.380 2.701 20 30 CFEDMO C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCC[C@H]2O)C[N@H+]1C1CC1 ZINC000329218061 533761469 /nfs/dbraw/zinc/76/14/69/533761469.db2.gz RGNPYPIDRVQGQR-UKTARXLSSA-N 1 1 280.412 2.509 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCC1(C)C ZINC001085775496 782157861 /nfs/dbraw/zinc/15/78/61/782157861.db2.gz WQWWFLZVZQVNBG-HUUCEWRRSA-N 1 1 278.440 2.922 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCOCC(F)F ZINC000425536062 534078626 /nfs/dbraw/zinc/07/86/26/534078626.db2.gz OBBODEYNESHKHE-NSHDSACASA-N 1 1 268.307 2.833 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)N1CCCCC1 ZINC000425542672 534079688 /nfs/dbraw/zinc/07/96/88/534079688.db2.gz YQACUBDUXCLBBU-AWEZNQCLSA-N 1 1 285.391 2.564 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)N1CCCCC1 ZINC000425542672 534079693 /nfs/dbraw/zinc/07/96/93/534079693.db2.gz YQACUBDUXCLBBU-AWEZNQCLSA-N 1 1 285.391 2.564 20 30 CFEDMO CC[N@@H+](CCNc1ncccc1C#N)CCC(F)(F)F ZINC000491589615 535741576 /nfs/dbraw/zinc/74/15/76/535741576.db2.gz SJXMMFQEHPYNMD-UHFFFAOYSA-N 1 1 286.301 2.639 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc[nH]c1C(C)C ZINC001085778775 782160093 /nfs/dbraw/zinc/16/00/93/782160093.db2.gz HBEGAJFNWCYDQS-CQSZACIVSA-N 1 1 289.423 2.861 20 30 CFEDMO Cc1noc(C)c1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000329199819 534317739 /nfs/dbraw/zinc/31/77/39/534317739.db2.gz XCJCGEXNDVECGL-LBPRGKRZSA-N 1 1 277.368 2.613 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C1CC1 ZINC001085787222 782161283 /nfs/dbraw/zinc/16/12/83/782161283.db2.gz JBBSFWDUBDGMAW-AWEZNQCLSA-N 1 1 287.407 2.615 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C(F)F)c1 ZINC001085785174 782161462 /nfs/dbraw/zinc/16/14/62/782161462.db2.gz KNILOPJFWBFKTI-LLVKDONJSA-N 1 1 284.306 2.550 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1coc(C(F)F)c1 ZINC001085785174 782161468 /nfs/dbraw/zinc/16/14/68/782161468.db2.gz KNILOPJFWBFKTI-LLVKDONJSA-N 1 1 284.306 2.550 20 30 CFEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000352219569 534439276 /nfs/dbraw/zinc/43/92/76/534439276.db2.gz RGHQUJXVOQEYPY-HYVNUMGLSA-N 1 1 299.418 2.735 20 30 CFEDMO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000352219574 534440381 /nfs/dbraw/zinc/44/03/81/534440381.db2.gz RGHQUJXVOQEYPY-PVAVHDDUSA-N 1 1 299.418 2.735 20 30 CFEDMO CCC1(O)CC[NH+](Cc2ccc(C#N)cc2Cl)CC1 ZINC000336345017 519847010 /nfs/dbraw/zinc/84/70/10/519847010.db2.gz USXAEILZRINPOJ-UHFFFAOYSA-N 1 1 278.783 2.949 20 30 CFEDMO CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)CC(C)(C)C ZINC000312583591 520364053 /nfs/dbraw/zinc/36/40/53/520364053.db2.gz PYKFINZFMYPSNS-UHFFFAOYSA-N 1 1 273.380 2.865 20 30 CFEDMO CC1(C)C[N@H+](Cc2ccc(C#N)cc2Cl)CC[C@H]1O ZINC000336339190 520477135 /nfs/dbraw/zinc/47/71/35/520477135.db2.gz CVPPPEYXTJCCKR-CQSZACIVSA-N 1 1 278.783 2.804 20 30 CFEDMO CC1(C)C[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@H]1O ZINC000336339190 520477143 /nfs/dbraw/zinc/47/71/43/520477143.db2.gz CVPPPEYXTJCCKR-CQSZACIVSA-N 1 1 278.783 2.804 20 30 CFEDMO CC[N@@H+](CC1CC1)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000069238154 520968929 /nfs/dbraw/zinc/96/89/29/520968929.db2.gz CLWLOAUGLBYTMQ-GFCCVEGCSA-N 1 1 271.364 2.617 20 30 CFEDMO CC[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@H](C)OC ZINC000361573224 521298189 /nfs/dbraw/zinc/29/81/89/521298189.db2.gz JWTWCQACCLPZJW-LLVKDONJSA-N 1 1 250.317 2.554 20 30 CFEDMO CCC[N@@H+](CC(C)C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000314658868 521583856 /nfs/dbraw/zinc/58/38/56/521583856.db2.gz HEFHEXBZESQSCK-MRXNPFEDSA-N 1 1 290.407 2.666 20 30 CFEDMO CCCN(CCC)C(=O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000073615627 521634932 /nfs/dbraw/zinc/63/49/32/521634932.db2.gz WEMQWFCMPOUXCF-UHFFFAOYSA-N 1 1 287.407 2.639 20 30 CFEDMO CCCN(CCC)C(=O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000073615627 521634937 /nfs/dbraw/zinc/63/49/37/521634937.db2.gz WEMQWFCMPOUXCF-UHFFFAOYSA-N 1 1 287.407 2.639 20 30 CFEDMO CC[C@@H](C)C[N@@H+](C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000246347893 521974480 /nfs/dbraw/zinc/97/44/80/521974480.db2.gz FUIKOYLDRLCUMN-YPMHNXCESA-N 1 1 291.420 2.703 20 30 CFEDMO CC[C@@H](C)C[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000088499269 521988389 /nfs/dbraw/zinc/98/83/89/521988389.db2.gz PKRPJKNTLFPSCS-CQSZACIVSA-N 1 1 272.396 2.511 20 30 CFEDMO COc1cc(C#N)ccc1C[N@@H+](CC1CCC1)[C@H](C)CO ZINC000361501608 522032539 /nfs/dbraw/zinc/03/25/39/522032539.db2.gz RUUOBNXWJGLQAN-CYBMUJFWSA-N 1 1 288.391 2.550 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192662759 522066609 /nfs/dbraw/zinc/06/66/09/522066609.db2.gz MNMPUTMESHMXAH-CZUORRHYSA-N 1 1 285.391 2.784 20 30 CFEDMO C=CCCC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000263710959 534613687 /nfs/dbraw/zinc/61/36/87/534613687.db2.gz WLAUUWTVIHZLEQ-UHFFFAOYSA-N 1 1 260.381 2.591 20 30 CFEDMO C[N@H+](CC(=O)NCc1cccc(C#N)c1)CC1CCCCC1 ZINC000340833720 522482914 /nfs/dbraw/zinc/48/29/14/522482914.db2.gz IERXGYJSIDPSLD-UHFFFAOYSA-N 1 1 299.418 2.687 20 30 CFEDMO Cc1nc2ccc(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)cc2o1 ZINC000329980961 534648435 /nfs/dbraw/zinc/64/84/35/534648435.db2.gz MIUYZPMFTOKFBU-MEBBXXQBSA-N 1 1 299.374 2.924 20 30 CFEDMO C[N@H+](CCC(=O)OC(C)(C)C)Cc1cccc(C#N)c1F ZINC000340871211 522688678 /nfs/dbraw/zinc/68/86/78/522688678.db2.gz MWXIFOXEHUSNDS-UHFFFAOYSA-N 1 1 292.354 2.861 20 30 CFEDMO C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cccc(C#N)c1F ZINC000340871211 522688690 /nfs/dbraw/zinc/68/86/90/522688690.db2.gz MWXIFOXEHUSNDS-UHFFFAOYSA-N 1 1 292.354 2.861 20 30 CFEDMO CCc1nnc(NCC[N@H+](C)[C@@H](C)CC)c(C#N)c1CC ZINC000229724322 522778972 /nfs/dbraw/zinc/77/89/72/522778972.db2.gz OTPKNECINWUNRN-LBPRGKRZSA-N 1 1 289.427 2.615 20 30 CFEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1F ZINC000340926355 523011981 /nfs/dbraw/zinc/01/19/81/523011981.db2.gz SBMPPPHIUQBZRK-LSDHHAIUSA-N 1 1 276.355 2.823 20 30 CFEDMO C[N@H+](Cc1ccc(F)cc1C#N)C[C@H]1CCCC[C@@H]1O ZINC000305816741 523257417 /nfs/dbraw/zinc/25/74/17/523257417.db2.gz OSEARVCGMOALEF-CJNGLKHVSA-N 1 1 276.355 2.680 20 30 CFEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000361466805 523297889 /nfs/dbraw/zinc/29/78/89/523297889.db2.gz AHRCYZHRWORANT-KRWDZBQOSA-N 1 1 293.370 2.607 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)CCS1 ZINC000233957480 523452718 /nfs/dbraw/zinc/45/27/18/523452718.db2.gz ZSGSBDNNZFKFTM-CQSZACIVSA-N 1 1 276.405 2.894 20 30 CFEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CC(C)(C)C1 ZINC000335167960 523496052 /nfs/dbraw/zinc/49/60/52/523496052.db2.gz NXGVUTDDXWZASV-UHFFFAOYSA-N 1 1 268.364 2.826 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CCCOC(C)(C)C1 ZINC000312861342 523523417 /nfs/dbraw/zinc/52/34/17/523523417.db2.gz RXVLBXKRFGHUST-UHFFFAOYSA-N 1 1 274.364 2.568 20 30 CFEDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000230264957 523807363 /nfs/dbraw/zinc/80/73/63/523807363.db2.gz URRXJPYZVGKAEH-HNNXBMFYSA-N 1 1 262.328 2.698 20 30 CFEDMO CCc1cc(NCc2ccc(C#N)cc2F)nc(C)[nH+]1 ZINC000088760008 523822826 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CKCZFYLLNSJVAD-LBPRGKRZSA-N 1 1 283.379 2.759 20 30 CFEDMO C[C@@H]1CC(N=Nc2cnc3ccccc3n2)CC[N@H+]1C ZINC000741463144 574291478 /nfs/dbraw/zinc/29/14/78/574291478.db2.gz AELAXWQCMQVZNB-LLVKDONJSA-N 1 1 269.352 2.512 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)CCC(=O)N(C)c1ccccc1 ZINC000749513194 574298513 /nfs/dbraw/zinc/29/85/13/574298513.db2.gz AJVXNOZVRGVEEZ-UHFFFAOYSA-N 1 1 287.407 2.911 20 30 CFEDMO CC[N@H+](Cc1ccnc(C#N)c1)C[C@@H](O)c1ccc(C)cc1 ZINC000749514597 574298791 /nfs/dbraw/zinc/29/87/91/574298791.db2.gz ORJHPKBBIGJNSD-GOSISDBHSA-N 1 1 295.386 2.817 20 30 CFEDMO C=CC[N@H+](CCC(=O)N(C)c1ccccc1)C(C)C ZINC000749515915 574299165 /nfs/dbraw/zinc/29/91/65/574299165.db2.gz YXFNZYDNIUFRDM-UHFFFAOYSA-N 1 1 260.381 2.936 20 30 CFEDMO CCc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(C#N)cc1 ZINC000734841200 574303595 /nfs/dbraw/zinc/30/35/95/574303595.db2.gz MUDNNRJWHDACQR-UHFFFAOYSA-N 1 1 288.782 2.797 20 30 CFEDMO Cc1[nH+]ccn1CCCC(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000735057573 574312216 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C#CCC[N@H+]1CC[C@@H](NC(=O)c2cscc2C)[C@H](C)C1 ZINC000941929004 613021230 /nfs/dbraw/zinc/02/12/30/613021230.db2.gz IEWHGXBTOSIAEX-IUODEOHRSA-N 1 1 290.432 2.520 20 30 CFEDMO C#CCC[N@H+]1CC[C@H](C)[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC000968566384 613024456 /nfs/dbraw/zinc/02/44/56/613024456.db2.gz RURLXQJRKMXMMM-LUKYLMHMSA-N 1 1 290.451 2.663 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC000968610971 613024764 /nfs/dbraw/zinc/02/47/64/613024764.db2.gz UBSZTFBOOIPIGW-MAUKXSAKSA-N 1 1 298.430 2.767 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](C)[C@H](NC(=O)c2ccc(C)s2)C1 ZINC000964709048 613024985 /nfs/dbraw/zinc/02/49/85/613024985.db2.gz GMVZREALXJGONK-GXTWGEPZSA-N 1 1 290.432 2.520 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C)c2)C[C@H]1C ZINC000947023007 613028332 /nfs/dbraw/zinc/02/83/32/613028332.db2.gz ZVLMFSHHHJYWEJ-WBVHZDCISA-N 1 1 284.403 2.601 20 30 CFEDMO C#CCC[N@H+]1CC[C@H](NC(=O)c2cccc(C)c2C)[C@H](C)C1 ZINC000944553958 613028444 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C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(F)c1F ZINC001024621356 618423856 /nfs/dbraw/zinc/42/38/56/618423856.db2.gz LBORTUBDGZPOBY-LBPRGKRZSA-N 1 1 294.345 2.735 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)c(C)c1 ZINC001024625544 618424627 /nfs/dbraw/zinc/42/46/27/618424627.db2.gz PQLBBODVEPQPPN-HNNXBMFYSA-N 1 1 290.382 2.904 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001024642596 618430651 /nfs/dbraw/zinc/43/06/51/618430651.db2.gz XINRQZKBAAFSBL-CVEARBPZSA-N 1 1 290.451 2.807 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024646407 618432139 /nfs/dbraw/zinc/43/21/39/618432139.db2.gz XMGWTLBJHPSIQC-OWCLPIDISA-N 1 1 278.440 2.969 20 30 CFEDMO C[C@@H]([NH3+])[C@@H](NCC(C)(C)CCC#N)c1ccccc1 ZINC000925672027 618443000 /nfs/dbraw/zinc/44/30/00/618443000.db2.gz GDJYKLPNSKONNA-UKRRQHHQSA-N 1 1 259.397 2.994 20 30 CFEDMO C[C@H]([NH3+])[C@@H](NCC(C)(C)CCC#N)c1ccccc1 ZINC000925672025 618443600 /nfs/dbraw/zinc/44/36/00/618443600.db2.gz GDJYKLPNSKONNA-DZGCQCFKSA-N 1 1 259.397 2.994 20 30 CFEDMO C[C@@H]([NH3+])[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000925681659 618463012 /nfs/dbraw/zinc/46/30/12/618463012.db2.gz PQWVQYWBTZBCPZ-VRKREXBASA-N 1 1 257.381 2.747 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2cnn(CC3CCC3)c2)C1 ZINC000895201337 618467141 /nfs/dbraw/zinc/46/71/41/618467141.db2.gz BPKZUXLEXQBSTN-AWEZNQCLSA-N 1 1 257.381 2.528 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001024774123 618467502 /nfs/dbraw/zinc/46/75/02/618467502.db2.gz NONYLZWHPOTXKR-QGZVFWFLSA-N 1 1 284.403 2.603 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001024804887 618474605 /nfs/dbraw/zinc/47/46/05/618474605.db2.gz JRBZUJJVPWRMOG-INIZCTEOSA-N 1 1 276.424 2.890 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1scnc1Cl ZINC001024804533 618474670 /nfs/dbraw/zinc/47/46/70/618474670.db2.gz UVNXGRJHOMSEMJ-JTQLQIEISA-N 1 1 299.827 2.567 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1scnc1Cl ZINC001024804533 618474676 /nfs/dbraw/zinc/47/46/76/618474676.db2.gz UVNXGRJHOMSEMJ-JTQLQIEISA-N 1 1 299.827 2.567 20 30 CFEDMO C#Cc1cccc(NC(=S)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000726465209 618480527 /nfs/dbraw/zinc/48/05/27/618480527.db2.gz FZYNMJGYGSHZRD-CVEARBPZSA-N 1 1 299.443 2.581 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000895228829 618484538 /nfs/dbraw/zinc/48/45/38/618484538.db2.gz QZZFXQSKDMLLEJ-LLVKDONJSA-N 1 1 272.304 2.512 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](Cc2c3c(nn2C)CCSC3)C1 ZINC000895250300 618497113 /nfs/dbraw/zinc/49/71/13/618497113.db2.gz HPTICVNNOQAHIE-ZDUSSCGKSA-N 1 1 291.464 2.998 20 30 CFEDMO CCn1cc(C[NH+]2CC(CC#N)C2)c(-c2ccccc2)n1 ZINC000895253149 618499618 /nfs/dbraw/zinc/49/96/18/618499618.db2.gz BUKKSXIRUNUYMZ-UHFFFAOYSA-N 1 1 280.375 2.915 20 30 CFEDMO COCC1(C2CCC2)C[NH+](Cc2csc(C#N)c2)C1 ZINC000895346562 618541671 /nfs/dbraw/zinc/54/16/71/618541671.db2.gz IYDZXSFLDAMCKT-UHFFFAOYSA-N 1 1 276.405 2.868 20 30 CFEDMO N#CC1(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CCCCC1 ZINC000895404018 618575159 /nfs/dbraw/zinc/57/51/59/618575159.db2.gz OZWGOYGSRBPJEN-KBPBESRZSA-N 1 1 296.386 2.684 20 30 CFEDMO CN(C)c1cc[nH+]c(CNc2nc3c(cc2C#N)CCC3)c1 ZINC000895465521 618600270 /nfs/dbraw/zinc/60/02/70/618600270.db2.gz LBSOQHUNCDHGFT-UHFFFAOYSA-N 1 1 293.374 2.515 20 30 CFEDMO NC(CCc1ccccc1)=[NH+]OCC(=O)Nc1ccccc1 ZINC000066374214 618609781 /nfs/dbraw/zinc/60/97/81/618609781.db2.gz LDTSBDIOBSWGHD-UHFFFAOYSA-N 1 1 297.358 2.547 20 30 CFEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CCC[C@H]1C ZINC001017577205 618665975 /nfs/dbraw/zinc/66/59/75/618665975.db2.gz HCACFCJAQAJQAO-VQHPVUNQSA-N 1 1 288.435 2.511 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC=CCC1 ZINC001017800001 618670901 /nfs/dbraw/zinc/67/09/01/618670901.db2.gz JURVVVSJURWLPC-ZACQAIPSSA-N 1 1 288.435 2.984 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](C)C1 ZINC001018022301 618683735 /nfs/dbraw/zinc/68/37/35/618683735.db2.gz GJXNQIUSTULGNJ-YHUYYLMFSA-N 1 1 276.424 2.674 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(C)C ZINC001018123389 618685841 /nfs/dbraw/zinc/68/58/41/618685841.db2.gz MHRCTNFURZPVJD-QXSJWSMHSA-N 1 1 276.424 2.530 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(C)C ZINC001018123386 618685989 /nfs/dbraw/zinc/68/59/89/618685989.db2.gz MHRCTNFURZPVJD-QKPAOTATSA-N 1 1 276.424 2.530 20 30 CFEDMO C=C[C@H](CC)CC(=O)N[C@H](C)C[N@H+](C)CCCC ZINC000936026028 618731157 /nfs/dbraw/zinc/73/11/57/618731157.db2.gz CTMHZRKBUMDPOU-ZIAGYGMSSA-N 1 1 254.418 2.825 20 30 CFEDMO Cc1cc(C#N)nc(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000892758422 618741506 /nfs/dbraw/zinc/74/15/06/618741506.db2.gz QYKNVLXUSBXXMP-CVEARBPZSA-N 1 1 284.407 2.713 20 30 CFEDMO C[C@H]1CCCC[C@@H]1N(C)C(=O)CO[NH+]=C(N)C1CCCC1 ZINC000178302203 618742657 /nfs/dbraw/zinc/74/26/57/618742657.db2.gz AFGRMLKLWVYESO-JSGCOSHPSA-N 1 1 295.427 2.503 20 30 CFEDMO C[C@H]1C[C@H](Nc2cc(C#N)sc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000892876009 618761886 /nfs/dbraw/zinc/76/18/86/618761886.db2.gz MQUDSOKWUYPYHJ-IUCAKERBSA-N 1 1 292.364 2.565 20 30 CFEDMO CCCCC(N)=[NH+]OCc1cn2ccccc2c1C#N ZINC000177566352 618828082 /nfs/dbraw/zinc/82/80/82/618828082.db2.gz JKRAQLLHEPWKOE-UHFFFAOYSA-N 1 1 270.336 2.790 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000930589159 618876190 /nfs/dbraw/zinc/87/61/90/618876190.db2.gz JMKDQBZVVWFALW-CQSZACIVSA-N 1 1 264.756 2.558 20 30 CFEDMO Cc1ccccc1CC[N@H+](C)Cc1cncc(C#N)c1 ZINC000930597732 618882206 /nfs/dbraw/zinc/88/22/06/618882206.db2.gz DUAYMVQUQWGMPD-UHFFFAOYSA-N 1 1 265.360 2.936 20 30 CFEDMO C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@H](O)CC#N ZINC000930599650 618883604 /nfs/dbraw/zinc/88/36/04/618883604.db2.gz AAFNKMNCLHZADC-RRCSTGOVSA-N 1 1 258.365 2.527 20 30 CFEDMO NC(=[NH+]OCc1nc(-c2ccccc2)no1)C1CCCC1 ZINC000194253545 618933564 /nfs/dbraw/zinc/93/35/64/618933564.db2.gz KHRAMQCRPQXDEK-UHFFFAOYSA-N 1 1 286.335 2.716 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccsc2)C1 ZINC001006679023 618974895 /nfs/dbraw/zinc/97/48/95/618974895.db2.gz NARGOCLWCJGKCB-ZDUSSCGKSA-N 1 1 264.394 2.518 20 30 CFEDMO CC1(C#N)CC[NH+](Cc2ccnn2C2CCC2)CC1 ZINC000893471663 619010819 /nfs/dbraw/zinc/01/08/19/619010819.db2.gz SOLWTOXXJFFNNS-UHFFFAOYSA-N 1 1 258.369 2.734 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)Nc2cccc(CC#N)c2)C1 ZINC000909368669 619011976 /nfs/dbraw/zinc/01/19/76/619011976.db2.gz YPWKNFVAVIDAQD-OAHLLOKOSA-N 1 1 285.391 2.813 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2CC(C)C)C1 ZINC001009691459 619013721 /nfs/dbraw/zinc/01/37/21/619013721.db2.gz MWUXNSSZCKOOAT-QGZVFWFLSA-N 1 1 298.430 2.713 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC(C)C)C1 ZINC001009691459 619013723 /nfs/dbraw/zinc/01/37/23/619013723.db2.gz MWUXNSSZCKOOAT-QGZVFWFLSA-N 1 1 298.430 2.713 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(c3ccccc3C)CC2)C1 ZINC001009726597 619020540 /nfs/dbraw/zinc/02/05/40/619020540.db2.gz VGEWWXDPTYBCLW-MRXNPFEDSA-N 1 1 298.430 2.793 20 30 CFEDMO C#CC[N@@H+](Cc1cn(C)nc1C1CCCC1)C1CC1 ZINC000893613139 619098973 /nfs/dbraw/zinc/09/89/73/619098973.db2.gz YGXQKIXCDZYNIW-UHFFFAOYSA-N 1 1 257.381 2.675 20 30 CFEDMO C#CC[N@H+](Cc1cn(C)nc1C1CCCC1)C1CC1 ZINC000893613139 619098974 /nfs/dbraw/zinc/09/89/74/619098974.db2.gz YGXQKIXCDZYNIW-UHFFFAOYSA-N 1 1 257.381 2.675 20 30 CFEDMO C[C@H](C#N)C(=O)N1CCC[N@@H+](CCC2CCCCC2)CC1 ZINC000980849782 619106869 /nfs/dbraw/zinc/10/68/69/619106869.db2.gz NRCYLARYHWTPJD-OAHLLOKOSA-N 1 1 291.439 2.651 20 30 CFEDMO N#Cc1cncc(C[N@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931909727 619144722 /nfs/dbraw/zinc/14/47/22/619144722.db2.gz KKMDOGJANWTFJW-GFCCVEGCSA-N 1 1 299.271 2.820 20 30 CFEDMO N#Cc1cncc(C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)c1 ZINC000931909727 619144724 /nfs/dbraw/zinc/14/47/24/619144724.db2.gz KKMDOGJANWTFJW-GFCCVEGCSA-N 1 1 299.271 2.820 20 30 CFEDMO C#CCCCCCC[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931932707 619161894 /nfs/dbraw/zinc/16/18/94/619161894.db2.gz BPXQQOLWQATSJM-CQSZACIVSA-N 1 1 261.369 2.751 20 30 CFEDMO N#C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000932158269 619200538 /nfs/dbraw/zinc/20/05/38/619200538.db2.gz BXMOCFAQOOMORW-LBPRGKRZSA-N 1 1 291.782 2.904 20 30 CFEDMO N#C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000932158269 619200541 /nfs/dbraw/zinc/20/05/41/619200541.db2.gz BXMOCFAQOOMORW-LBPRGKRZSA-N 1 1 291.782 2.904 20 30 CFEDMO C=CC(C)(C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000893878085 619233878 /nfs/dbraw/zinc/23/38/78/619233878.db2.gz NWXBGZFJLYQFTO-GJZGRUSLSA-N 1 1 287.407 2.696 20 30 CFEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2ocnc2C)c1 ZINC000894274342 619301925 /nfs/dbraw/zinc/30/19/25/619301925.db2.gz ZBELFBCIPQZLHA-AWEZNQCLSA-N 1 1 285.347 2.954 20 30 CFEDMO C=CC[NH+]1CCC(N[C@@H](C)c2c(C)noc2C)CC1 ZINC000924984159 619316964 /nfs/dbraw/zinc/31/69/64/619316964.db2.gz OIHPBNTXMPKFCB-NSHDSACASA-N 1 1 263.385 2.592 20 30 CFEDMO C=CC[NH+]1CCC(N[C@@H](C)c2cccc3c2OCO3)CC1 ZINC000924984599 619317367 /nfs/dbraw/zinc/31/73/67/619317367.db2.gz WEEQPYMCOKNWOC-ZDUSSCGKSA-N 1 1 288.391 2.716 20 30 CFEDMO CN(Cc1csc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894417399 619378297 /nfs/dbraw/zinc/37/82/97/619378297.db2.gz MCCMKYZQYZEEOY-PBWFPOADSA-N 1 1 275.421 2.677 20 30 CFEDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1csc(C#N)c1 ZINC000894432002 619382826 /nfs/dbraw/zinc/38/28/26/619382826.db2.gz MLOLYIQYLMWWQT-ZDUSSCGKSA-N 1 1 291.420 2.500 20 30 CFEDMO Cc1cc(F)c(C#N)c(N[C@@H]2CCC[N@H+](CCF)C2)c1 ZINC000894470562 619394186 /nfs/dbraw/zinc/39/41/86/619394186.db2.gz CDSOHNLKXRSKLH-GFCCVEGCSA-N 1 1 279.334 2.852 20 30 CFEDMO Cc1cc(F)c(C#N)c(N[C@@H]2CCC[N@@H+](CCF)C2)c1 ZINC000894470562 619394190 /nfs/dbraw/zinc/39/41/90/619394190.db2.gz CDSOHNLKXRSKLH-GFCCVEGCSA-N 1 1 279.334 2.852 20 30 CFEDMO C[C@]1(CCCO)CCC[N@H+]1Cc1csc(C#N)c1 ZINC000894484202 619398572 /nfs/dbraw/zinc/39/85/72/619398572.db2.gz CHRCAZCFPMVFLW-CQSZACIVSA-N 1 1 264.394 2.747 20 30 CFEDMO C#C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000894574880 619422316 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270.376 2.508 20 30 CFEDMO C=C1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000898698975 620490813 /nfs/dbraw/zinc/49/08/13/620490813.db2.gz VPPCNMXKQFJOEI-MRXNPFEDSA-N 1 1 288.366 2.579 20 30 CFEDMO C=C1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000898698975 620490814 /nfs/dbraw/zinc/49/08/14/620490814.db2.gz VPPCNMXKQFJOEI-MRXNPFEDSA-N 1 1 288.366 2.579 20 30 CFEDMO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)cc1 ZINC000899130689 620524270 /nfs/dbraw/zinc/52/42/70/620524270.db2.gz ZONMAIOHPHPARW-GOSISDBHSA-N 1 1 296.414 2.805 20 30 CFEDMO COc1cccc(O)c1/C=N\CC[N@H+]1CCC(C)(C)C1 ZINC000899231811 620533759 /nfs/dbraw/zinc/53/37/59/620533759.db2.gz HIPALHXDMNSZCE-BOPFTXTBSA-N 1 1 276.380 2.552 20 30 CFEDMO C=C1C[NH+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000899900275 620610668 /nfs/dbraw/zinc/61/06/68/620610668.db2.gz NRDACSDKKSKYQV-UHFFFAOYSA-N 1 1 295.180 2.650 20 30 CFEDMO N#Cc1cccc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)c1 ZINC000899933568 620615258 /nfs/dbraw/zinc/61/52/58/620615258.db2.gz PXLUUMUCSDBUHZ-LSDHHAIUSA-N 1 1 269.348 2.514 20 30 CFEDMO COc1ccc(C[NH2+]C[C@H](C#N)CCC#N)c(C)c1OC ZINC000901630880 620875432 /nfs/dbraw/zinc/87/54/32/620875432.db2.gz PGWKALHDYHETRU-ZDUSSCGKSA-N 1 1 287.363 2.545 20 30 CFEDMO C=CC[N@H+](CN1CCN(C2CCCC2)C1=O)C(C)C ZINC000902064388 620972841 /nfs/dbraw/zinc/97/28/41/620972841.db2.gz IKLCPIRLWBGPJE-UHFFFAOYSA-N 1 1 265.401 2.521 20 30 CFEDMO C=CC[N@@H+](CN1CCN(C2CCCC2)C1=O)C(C)C ZINC000902064388 620972844 /nfs/dbraw/zinc/97/28/44/620972844.db2.gz IKLCPIRLWBGPJE-UHFFFAOYSA-N 1 1 265.401 2.521 20 30 CFEDMO CCc1cc(NCc2csc(C#N)c2)nc(C)[nH+]1 ZINC000902229007 621002739 /nfs/dbraw/zinc/00/27/39/621002739.db2.gz ORXKXGVJYKLDGM-UHFFFAOYSA-N 1 1 258.350 2.893 20 30 CFEDMO C=CCC[N@H+](C)CN1CCN(Cc2ccccc2F)C1=O ZINC000902236400 621004454 /nfs/dbraw/zinc/00/44/54/621004454.db2.gz WIILRQUQCGYRJB-UHFFFAOYSA-N 1 1 291.370 2.529 20 30 CFEDMO CC1(C)C[NH2+]CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000902389472 621061880 /nfs/dbraw/zinc/06/18/80/621061880.db2.gz YEMZHMWIULRWIQ-AWEZNQCLSA-N 1 1 275.371 2.565 20 30 CFEDMO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000071140378 625464315 /nfs/dbraw/zinc/46/43/15/625464315.db2.gz BHPUSEKOSKVXCF-HNNXBMFYSA-N 1 1 290.338 2.615 20 30 CFEDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000071140378 625464321 /nfs/dbraw/zinc/46/43/21/625464321.db2.gz BHPUSEKOSKVXCF-HNNXBMFYSA-N 1 1 290.338 2.615 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000801924338 621141582 /nfs/dbraw/zinc/14/15/82/621141582.db2.gz NHVATVNGCRKPSJ-LBPRGKRZSA-N 1 1 258.321 2.793 20 30 CFEDMO C[C@H](ON=C(N)C[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000902656866 621141972 /nfs/dbraw/zinc/14/19/72/621141972.db2.gz WBZUPIUZTKWFHF-ZDUSSCGKSA-N 1 1 286.379 2.604 20 30 CFEDMO COc1ccc(C(N)=[NH+]OC[C@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000902698484 621149714 /nfs/dbraw/zinc/14/97/14/621149714.db2.gz WDVGMZFSYUWTHK-ITGUQSILSA-N 1 1 292.379 2.536 20 30 CFEDMO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1cc(C#N)ccn1 ZINC000902759343 621166859 /nfs/dbraw/zinc/16/68/59/621166859.db2.gz UXKZBPUWUYYAOI-LLVKDONJSA-N 1 1 281.315 2.533 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000801933795 621168703 /nfs/dbraw/zinc/16/87/03/621168703.db2.gz GELZIULNLXHCQY-CHWSQXEVSA-N 1 1 294.782 2.722 20 30 CFEDMO COc1nc(C)cc(C)c1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902789276 621177280 /nfs/dbraw/zinc/17/72/80/621177280.db2.gz JBNCWIXSOWHFAJ-CYBMUJFWSA-N 1 1 296.374 2.825 20 30 CFEDMO COc1ccc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)c(F)c1 ZINC000902879237 621197872 /nfs/dbraw/zinc/19/78/72/621197872.db2.gz TZNMNYREMKYFEC-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO COCC[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccco1 ZINC000902944226 621207421 /nfs/dbraw/zinc/20/74/21/621207421.db2.gz DIJZCYHRXQOFCN-OCCSQVGLSA-N 1 1 285.347 2.975 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(C(F)(F)F)cn1)[C@@H]1CCCO1 ZINC000902958900 621214185 /nfs/dbraw/zinc/21/41/85/621214185.db2.gz WSQWUVLGVOAOCL-OSMZGAPFSA-N 1 1 298.308 2.932 20 30 CFEDMO CCCn1cc([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)nn1 ZINC000902974766 621221389 /nfs/dbraw/zinc/22/13/89/621221389.db2.gz BANLNWGEGGRISK-BLLLJJGKSA-N 1 1 295.390 2.898 20 30 CFEDMO C[C@H](NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cc(C#N)ccn1 ZINC000902973971 621221451 /nfs/dbraw/zinc/22/14/51/621221451.db2.gz ZHQIKVZDNZWCBT-BBRMVZONSA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@H](NC[C@@H]1CCCC[N@H+]1C1CC1)c1cc(C#N)ccn1 ZINC000902973971 621221452 /nfs/dbraw/zinc/22/14/52/621221452.db2.gz ZHQIKVZDNZWCBT-BBRMVZONSA-N 1 1 284.407 2.621 20 30 CFEDMO CC[C@@H]([NH2+]Cc1nn(CC)nc1C)c1cccc(C#N)c1 ZINC000903025636 621234413 /nfs/dbraw/zinc/23/44/13/621234413.db2.gz GIMFKGKOOCMXJC-OAHLLOKOSA-N 1 1 283.379 2.719 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903027714 621234797 /nfs/dbraw/zinc/23/47/97/621234797.db2.gz VZXVCGXILPXTRA-XJKSGUPXSA-N 1 1 293.374 2.596 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+]1CC=C(c2ccc(Cl)nc2)CC1 ZINC000801941411 621237041 /nfs/dbraw/zinc/23/70/41/621237041.db2.gz YSCLFWOFPXPHAS-LBPRGKRZSA-N 1 1 291.782 2.753 20 30 CFEDMO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nncn1C ZINC000903066775 621239185 /nfs/dbraw/zinc/23/91/85/621239185.db2.gz XFMAJFUUNZRTBA-SWLSCSKDSA-N 1 1 283.379 2.735 20 30 CFEDMO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cc(C#N)ccn1 ZINC000903049994 621241667 /nfs/dbraw/zinc/24/16/67/621241667.db2.gz NFJOFDLBAGOPBE-YMRXKLBXSA-N 1 1 279.343 2.782 20 30 CFEDMO C[C@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903052906 621242468 /nfs/dbraw/zinc/24/24/68/621242468.db2.gz LJODRAKRGGUZLV-CABCVRRESA-N 1 1 286.423 2.724 20 30 CFEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1cccc(N2CCOC2=O)c1 ZINC000903099808 621252973 /nfs/dbraw/zinc/25/29/73/621252973.db2.gz AUIBBYBPNLQMSO-GFCCVEGCSA-N 1 1 287.363 2.844 20 30 CFEDMO COc1ccc2c(c1)[C@H]([NH2+]CC1(C#N)CC1)CCC2 ZINC000903101785 621253425 /nfs/dbraw/zinc/25/34/25/621253425.db2.gz MBRAKWKDWAFFKL-OAHLLOKOSA-N 1 1 256.349 2.966 20 30 CFEDMO CC[N@@H+](CCO[C@@H](C)C#N)[C@@H](C)Cc1ccsc1 ZINC000801946097 621254009 /nfs/dbraw/zinc/25/40/09/621254009.db2.gz KZGWUQAWPDDAOU-STQMWFEESA-N 1 1 266.410 2.930 20 30 CFEDMO Cc1c([C@@H](C)[NH2+]CC2(C#N)CC2)cnn1C(C)(C)C ZINC000903106378 621255461 /nfs/dbraw/zinc/25/54/61/621255461.db2.gz OSBAGNJQRPDUKX-LLVKDONJSA-N 1 1 260.385 2.901 20 30 CFEDMO COc1ccc2c(c1)[C@@H]([NH2+]CC1(C#N)CC1)CCCO2 ZINC000903106374 621255531 /nfs/dbraw/zinc/25/55/31/621255531.db2.gz OQNWDUSNZTXFSV-AWEZNQCLSA-N 1 1 272.348 2.802 20 30 CFEDMO C[C@@H]([NH2+]CCO[C@@H](C)C#N)c1nc(C(F)(F)F)cs1 ZINC000801951097 621259619 /nfs/dbraw/zinc/25/96/19/621259619.db2.gz ABVOALOTJRJAQT-JGVFFNPUSA-N 1 1 293.314 2.741 20 30 CFEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1cnn(CC2CCC2)c1 ZINC000903219526 621291979 /nfs/dbraw/zinc/29/19/79/621291979.db2.gz HQLMJNNRJTXDOW-LBPRGKRZSA-N 1 1 260.385 2.884 20 30 CFEDMO CC(C)(C)[C@@H](CN)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000903455344 621387917 /nfs/dbraw/zinc/38/79/17/621387917.db2.gz UZFBTQVIMZIJKR-CYBMUJFWSA-N 1 1 265.788 2.675 20 30 CFEDMO CCCC(C#N)(CCC)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000903875477 621462809 /nfs/dbraw/zinc/46/28/09/621462809.db2.gz GRAZEXAQZHVHET-AWEZNQCLSA-N 1 1 279.428 2.838 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)C[N@H+](CC)C1CC1 ZINC000832721895 625496171 /nfs/dbraw/zinc/49/61/71/625496171.db2.gz RMWNAFCZXCNNQD-UHFFFAOYSA-N 1 1 252.402 2.579 20 30 CFEDMO CC[N@H+](CC(=O)N(O)Cc1ccccc1Cl)C1CC1 ZINC000904190648 621546317 /nfs/dbraw/zinc/54/63/17/621546317.db2.gz PAFBRNHMZPBCSZ-UHFFFAOYSA-N 1 1 282.771 2.542 20 30 CFEDMO CC[N@@H+](CC(=O)N(O)Cc1ccccc1Cl)C1CC1 ZINC000904190648 621546319 /nfs/dbraw/zinc/54/63/19/621546319.db2.gz PAFBRNHMZPBCSZ-UHFFFAOYSA-N 1 1 282.771 2.542 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cncc(C)c2)no1 ZINC000904538400 621606062 /nfs/dbraw/zinc/60/60/62/621606062.db2.gz OPWLBRVLPGHGGL-GFCCVEGCSA-N 1 1 258.325 2.796 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(CCc2ccco2)no1 ZINC000904627977 621617887 /nfs/dbraw/zinc/61/78/87/621617887.db2.gz LNDWCNNRDKVLDC-LBPRGKRZSA-N 1 1 261.325 2.804 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(C2(CCOC)CCC2)no1 ZINC000904732323 621633261 /nfs/dbraw/zinc/63/32/61/621633261.db2.gz HUPIAYDWXUZSFM-LBPRGKRZSA-N 1 1 279.384 2.884 20 30 CFEDMO CCCCCCCCC(=O)N1CC[NH+](CCOC)CC1 ZINC000832776190 625511302 /nfs/dbraw/zinc/51/13/02/625511302.db2.gz JSWJWRKLBKHVDM-UHFFFAOYSA-N 1 1 284.444 2.528 20 30 CFEDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(OCC#N)cc2)C1 ZINC000832778755 625512890 /nfs/dbraw/zinc/51/28/90/625512890.db2.gz OZRRVQNAMGMXQQ-MRXNPFEDSA-N 1 1 287.407 2.503 20 30 CFEDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(OCC#N)cc2)C1 ZINC000832778753 625513472 /nfs/dbraw/zinc/51/34/72/625513472.db2.gz OZRRVQNAMGMXQQ-INIZCTEOSA-N 1 1 287.407 2.503 20 30 CFEDMO C=CC[C@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(=O)OC ZINC000905765327 621855776 /nfs/dbraw/zinc/85/57/76/621855776.db2.gz YYZRHMFBDBOAMI-UWVGGRQHSA-N 1 1 267.291 2.815 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)n1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000905801965 621867005 /nfs/dbraw/zinc/86/70/05/621867005.db2.gz OPGQBYNJNKRHPS-CYBMUJFWSA-N 1 1 297.406 2.989 20 30 CFEDMO N#CC1(C[C@H](O)C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)CCC1 ZINC000905956484 621911672 /nfs/dbraw/zinc/91/16/72/621911672.db2.gz MJVBIGTZMDPPOU-ARFHVFGLSA-N 1 1 274.408 2.552 20 30 CFEDMO N#Cc1ccc(C2([NH2+]Cc3cn(C4CC4)nn3)CCC2)cc1 ZINC000906311547 621972533 /nfs/dbraw/zinc/97/25/33/621972533.db2.gz LSXIUOCOCXFDIO-UHFFFAOYSA-N 1 1 293.374 2.654 20 30 CFEDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccsc2C#N)CC1 ZINC000906450206 621991123 /nfs/dbraw/zinc/99/11/23/621991123.db2.gz IJBYVXKTQFCODP-UHFFFAOYSA-N 1 1 291.420 2.566 20 30 CFEDMO Cc1nn(CCC#N)c(C)c1OCC[C@H]1CCCC[N@@H+]1C ZINC000906507860 621994461 /nfs/dbraw/zinc/99/44/61/621994461.db2.gz KSQLKZYPUAILNP-OAHLLOKOSA-N 1 1 290.411 2.667 20 30 CFEDMO COc1cc(OCC[C@H]2CCCC[N@H+]2C)ccc1C#N ZINC000906507106 621998895 /nfs/dbraw/zinc/99/88/95/621998895.db2.gz FCJZSTHABGVKCF-CQSZACIVSA-N 1 1 274.364 2.820 20 30 CFEDMO Cc1cc(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc(C)c1C#N ZINC000906941860 622064958 /nfs/dbraw/zinc/06/49/58/622064958.db2.gz PSLUBAOPPORLMO-ZFWWWQNUSA-N 1 1 297.402 2.530 20 30 CFEDMO C#CCOc1ccccc1NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000907502900 622132570 /nfs/dbraw/zinc/13/25/70/622132570.db2.gz DUQHUDUWBBDXSH-ZBFHGGJFSA-N 1 1 298.386 2.654 20 30 CFEDMO CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000908212454 622204943 /nfs/dbraw/zinc/20/49/43/622204943.db2.gz VGCWPPZAYDVFQV-HOTGVXAUSA-N 1 1 299.418 2.803 20 30 CFEDMO CCc1ccc([C@H](C#N)NC(=O)[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000908212454 622204945 /nfs/dbraw/zinc/20/49/45/622204945.db2.gz VGCWPPZAYDVFQV-HOTGVXAUSA-N 1 1 299.418 2.803 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C3CCC3)CCC[C@H]12 ZINC000991331717 622522730 /nfs/dbraw/zinc/52/27/30/622522730.db2.gz NXAKMIDKJXTOMV-UKPHBRMFSA-N 1 1 276.424 2.722 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000184093603 625574461 /nfs/dbraw/zinc/57/44/61/625574461.db2.gz CJRSDRHTNHCWCH-JSGCOSHPSA-N 1 1 257.337 2.759 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000184093670 625574669 /nfs/dbraw/zinc/57/46/69/625574669.db2.gz CJRSDRHTNHCWCH-TZMCWYRMSA-N 1 1 257.337 2.759 20 30 CFEDMO CCCCCCCC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000819718380 622547312 /nfs/dbraw/zinc/54/73/12/622547312.db2.gz WXSYMOXOUDWVAB-LSDHHAIUSA-N 1 1 266.429 2.900 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2Cc3cccc(C#N)c3C2)C1 ZINC000911922519 622575594 /nfs/dbraw/zinc/57/55/94/622575594.db2.gz GLKNTWUNHVDAFO-MRXNPFEDSA-N 1 1 297.402 2.522 20 30 CFEDMO C=CCCCCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000912050365 622619353 /nfs/dbraw/zinc/61/93/53/622619353.db2.gz RCCWZZRAEDBUSY-HUUCEWRRSA-N 1 1 264.413 2.866 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)Cc3ccccc3)CCC[C@@H]12 ZINC000991413214 622786533 /nfs/dbraw/zinc/78/65/33/622786533.db2.gz FBJUBTICMXZJOQ-IEBWSBKVSA-N 1 1 298.430 2.918 20 30 CFEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2ccc(F)cc2)n1C ZINC000821027154 622825327 /nfs/dbraw/zinc/82/53/27/622825327.db2.gz DZOICNDUAPGYRU-HJWRWDBZSA-N 1 1 273.311 2.521 20 30 CFEDMO Cc1c(C#N)cccc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000821091761 622845788 /nfs/dbraw/zinc/84/57/88/622845788.db2.gz IBMVBDYPWZYZDR-UHFFFAOYSA-N 1 1 273.380 2.783 20 30 CFEDMO C#CC[N@H+](C)CCCNCc1cnc(-c2ccccc2)s1 ZINC000821214359 622870816 /nfs/dbraw/zinc/87/08/16/622870816.db2.gz RCZGSXMKTNNAAW-UHFFFAOYSA-N 1 1 299.443 2.855 20 30 CFEDMO C#CC[N@@H+](C)CCCNCc1cnc(-c2ccccc2)s1 ZINC000821214359 622870825 /nfs/dbraw/zinc/87/08/25/622870825.db2.gz RCZGSXMKTNNAAW-UHFFFAOYSA-N 1 1 299.443 2.855 20 30 CFEDMO C#CC[C@H]([NH2+]Cc1snnc1C)c1ccccc1 ZINC000821221787 622872770 /nfs/dbraw/zinc/87/27/70/622872770.db2.gz XUQCUGCNHAXQGU-ZDUSSCGKSA-N 1 1 257.362 2.701 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@H](C)[C@H]2C)c1O ZINC000164515093 622958397 /nfs/dbraw/zinc/95/83/97/622958397.db2.gz NDHHNSJORWCYMX-CHWSQXEVSA-N 1 1 291.391 2.739 20 30 CFEDMO C#CCOc1ccc([C@@H](C)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000157680456 623049367 /nfs/dbraw/zinc/04/93/67/623049367.db2.gz VRBUDGUBRFYEHJ-QAPCUYQASA-N 1 1 298.430 2.834 20 30 CFEDMO C#CCOc1ccc([C@@H](C)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000157680456 623049373 /nfs/dbraw/zinc/04/93/73/623049373.db2.gz VRBUDGUBRFYEHJ-QAPCUYQASA-N 1 1 298.430 2.834 20 30 CFEDMO C=C(C)COCC[NH2+][C@H](C)c1ccc(F)cc1O ZINC000168844161 623107549 /nfs/dbraw/zinc/10/75/49/623107549.db2.gz GIJZTUJHWCCPMK-LLVKDONJSA-N 1 1 253.317 2.775 20 30 CFEDMO COCc1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)cc1 ZINC000822739480 623164039 /nfs/dbraw/zinc/16/40/39/623164039.db2.gz FAVVTMWCJZYHAB-ZDUSSCGKSA-N 1 1 286.335 2.577 20 30 CFEDMO COCc1ccccc1-c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000822739481 623164417 /nfs/dbraw/zinc/16/44/17/623164417.db2.gz FBAITJJAVAEBDM-CYBMUJFWSA-N 1 1 286.335 2.577 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc([C@@H]2CCc3ccccc32)no1 ZINC000822803785 623177208 /nfs/dbraw/zinc/17/72/08/623177208.db2.gz RSKIBRMKPRTANL-ZIAGYGMSSA-N 1 1 282.347 2.841 20 30 CFEDMO C[C@@H](c1cccs1)c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000822832157 623184146 /nfs/dbraw/zinc/18/41/46/623184146.db2.gz SJPGRMGFBPYQOD-UWVGGRQHSA-N 1 1 276.365 2.977 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cncc(CC)c3)CCC[C@@H]12 ZINC000991858483 623186312 /nfs/dbraw/zinc/18/63/12/623186312.db2.gz GODCWUCGYWXSMT-AEFFLSMTSA-N 1 1 299.418 2.557 20 30 CFEDMO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2ccsc2)C1 ZINC001014936546 623193593 /nfs/dbraw/zinc/19/35/93/623193593.db2.gz UNEGAFVHPAWNQZ-SOUVJXGZSA-N 1 1 290.432 2.618 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000171346685 623218527 /nfs/dbraw/zinc/21/85/27/623218527.db2.gz RXFZJIJZBQDQLP-LLVKDONJSA-N 1 1 274.792 2.586 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000171346685 623218532 /nfs/dbraw/zinc/21/85/32/623218532.db2.gz RXFZJIJZBQDQLP-LLVKDONJSA-N 1 1 274.792 2.586 20 30 CFEDMO C#C[C@H](CC)[NH2+]Cc1cccc(Br)c1O ZINC000229891607 623231264 /nfs/dbraw/zinc/23/12/64/623231264.db2.gz WFRKNRBCJQBPCL-SNVBAGLBSA-N 1 1 268.154 2.656 20 30 CFEDMO CCCCCCCCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000172019709 623253601 /nfs/dbraw/zinc/25/36/01/623253601.db2.gz FJCUFLVCUBRTLA-CQSZACIVSA-N 1 1 254.418 2.900 20 30 CFEDMO Cc1ccc(-c2noc([C@H]([NH3+])CCCC#N)n2)s1 ZINC000823279466 623282413 /nfs/dbraw/zinc/28/24/13/623282413.db2.gz AUKUAQKUBRWMCP-SECBINFHSA-N 1 1 262.338 2.800 20 30 CFEDMO C=CC[N@@H+](CCCCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000172656765 623297850 /nfs/dbraw/zinc/29/78/50/623297850.db2.gz IJKXXEIZBOHFQU-CQSZACIVSA-N 1 1 273.442 2.632 20 30 CFEDMO C=CC[N@H+](CCCCCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000172656765 623297862 /nfs/dbraw/zinc/29/78/62/623297862.db2.gz IJKXXEIZBOHFQU-CQSZACIVSA-N 1 1 273.442 2.632 20 30 CFEDMO CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)CC#N ZINC000929411504 623331244 /nfs/dbraw/zinc/33/12/44/623331244.db2.gz KFZPHKJFPFTQTD-IXDOHACOSA-N 1 1 272.392 2.919 20 30 CFEDMO C#CCCC[N@@H+]1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C ZINC000823509190 623336984 /nfs/dbraw/zinc/33/69/84/623336984.db2.gz IOHNGUYHOJUYQF-KGLIPLIRSA-N 1 1 265.397 2.842 20 30 CFEDMO C[C@@H]1CCC[C@H](C)N1C(=O)CO[NH+]=C(N)C1CCCCC1 ZINC000063458897 623352650 /nfs/dbraw/zinc/35/26/50/623352650.db2.gz HCUVCYYUXFBAHJ-BETUJISGSA-N 1 1 295.427 2.645 20 30 CFEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CCC[C@@H]1C ZINC000173523858 623354815 /nfs/dbraw/zinc/35/48/15/623354815.db2.gz GJBXHOWDGDXTFI-LBPRGKRZSA-N 1 1 281.363 2.567 20 30 CFEDMO C[N@@H+](C[C@](C)(O)c1ccccc1)[C@H]1CC[C@H](C#N)C1 ZINC000823605951 623359165 /nfs/dbraw/zinc/35/91/65/623359165.db2.gz ORYRYDRJOUCSFZ-BPUTZDHNSA-N 1 1 258.365 2.518 20 30 CFEDMO COC(=O)/C(C)=C\C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000823617530 623361975 /nfs/dbraw/zinc/36/19/75/623361975.db2.gz JZOWVLJXUWSCHW-FSBNRTBOSA-N 1 1 272.348 2.670 20 30 CFEDMO C=C(Br)CN(C)CC[C@H]1CCCC[N@H+]1C ZINC000173955243 623377070 /nfs/dbraw/zinc/37/70/70/623377070.db2.gz NFTIMUKUQUGLMF-GFCCVEGCSA-N 1 1 275.234 2.701 20 30 CFEDMO Cc1ccc(C#N)cc1C(=O)NCCC[N@H+](C)CC(C)C ZINC000823818144 623399902 /nfs/dbraw/zinc/39/99/02/623399902.db2.gz VTRDGOOTQJVUTM-UHFFFAOYSA-N 1 1 287.407 2.574 20 30 CFEDMO COc1ccc(C[NH2+]Cc2nccn2CC(C)C)cc1C#N ZINC000174454493 623419907 /nfs/dbraw/zinc/41/99/07/623419907.db2.gz PLUHWFKVXCVWHS-UHFFFAOYSA-N 1 1 298.390 2.709 20 30 CFEDMO C#CCOc1ccc(C[NH2+]Cc2nccn2CC(C)C)cc1 ZINC000174454985 623419945 /nfs/dbraw/zinc/41/99/45/623419945.db2.gz RYBARGZAOFMGOZ-UHFFFAOYSA-N 1 1 297.402 2.841 20 30 CFEDMO COc1ccc(C[NH2+]Cc2nc(C)c(C)s2)cc1C#N ZINC000174434750 623421927 /nfs/dbraw/zinc/42/19/27/623421927.db2.gz TWTCHBKJFXINCN-UHFFFAOYSA-N 1 1 287.388 2.930 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3CC4(CCC4)C3)CCC[C@@H]12 ZINC000992109912 623457103 /nfs/dbraw/zinc/45/71/03/623457103.db2.gz FTVFTEZBQRCMSK-QAPCUYQASA-N 1 1 288.435 2.866 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C3CC4(CCC4)C3)CCC[C@H]12 ZINC000992109910 623457173 /nfs/dbraw/zinc/45/71/73/623457173.db2.gz FTVFTEZBQRCMSK-MAUKXSAKSA-N 1 1 288.435 2.866 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3CC4(CCC4)C3)CCC[C@H]12 ZINC000992109914 623457357 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285.387 2.846 20 30 CFEDMO C#Cc1cccc(NC(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC000766328490 627195661 /nfs/dbraw/zinc/19/56/61/627195661.db2.gz YZMYDYDPCDPPHC-KBPBESRZSA-N 1 1 285.391 2.614 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1cc(OC)cc(CC=C)c1O ZINC000766665618 627213280 /nfs/dbraw/zinc/21/32/80/627213280.db2.gz JLJDHUJAEVHXIO-LBPRGKRZSA-N 1 1 259.349 2.583 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1c(O)c(C(=O)OC)cc2ccccc21 ZINC000766663261 627213518 /nfs/dbraw/zinc/21/35/18/627213518.db2.gz KIBJHARINGZIKH-LBPRGKRZSA-N 1 1 297.354 2.786 20 30 CFEDMO C#CCCCOC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000766882633 627224418 /nfs/dbraw/zinc/22/44/18/627224418.db2.gz QTMFVALLCOLKDJ-UHFFFAOYSA-N 1 1 286.375 2.563 20 30 CFEDMO C#CCCC[NH+]1CCN(c2ccc(C(C)=O)cc2F)CC1 ZINC000766896068 627225283 /nfs/dbraw/zinc/22/52/83/627225283.db2.gz WJBJICKXZIIOJV-UHFFFAOYSA-N 1 1 288.366 2.564 20 30 CFEDMO C#CCCC[N@H+](C)Cc1ccn(-c2ccccc2)n1 ZINC000766896233 627225327 /nfs/dbraw/zinc/22/53/27/627225327.db2.gz YFMJBYVKFRPQNM-UHFFFAOYSA-N 1 1 253.349 2.718 20 30 CFEDMO C#CCCC[N@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000766901350 627225760 /nfs/dbraw/zinc/22/57/60/627225760.db2.gz XGRPIBSPLHRDJP-UHFFFAOYSA-N 1 1 253.349 2.825 20 30 CFEDMO C#CCCC[N@@H+](Cc1cc[nH]n1)Cc1ccccc1 ZINC000766901350 627225761 /nfs/dbraw/zinc/22/57/61/627225761.db2.gz XGRPIBSPLHRDJP-UHFFFAOYSA-N 1 1 253.349 2.825 20 30 CFEDMO C#CCCCOC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000766899226 627225771 /nfs/dbraw/zinc/22/57/71/627225771.db2.gz OISCEQTYMRFSEI-KRWDZBQOSA-N 1 1 285.387 2.855 20 30 CFEDMO C#CCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000766904401 627225987 /nfs/dbraw/zinc/22/59/87/627225987.db2.gz FRESICCBZJKEDD-INIZCTEOSA-N 1 1 284.403 2.542 20 30 CFEDMO C#CCCC[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000766905981 627226140 /nfs/dbraw/zinc/22/61/40/627226140.db2.gz OLDNFOITFKSECD-QGZVFWFLSA-N 1 1 259.393 2.919 20 30 CFEDMO C#CCCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 ZINC000766913427 627226583 /nfs/dbraw/zinc/22/65/83/627226583.db2.gz QHWNNIIWLJBYCO-INIZCTEOSA-N 1 1 286.375 2.512 20 30 CFEDMO C#CCCC[N@@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000766942297 627228257 /nfs/dbraw/zinc/22/82/57/627228257.db2.gz VGEXQFFGUXXXSP-MRXNPFEDSA-N 1 1 261.340 2.921 20 30 CFEDMO C#CCCC[N@H+]1CCO[C@@H](c2ccc(F)c(C)c2)C1 ZINC000766942297 627228260 /nfs/dbraw/zinc/22/82/60/627228260.db2.gz VGEXQFFGUXXXSP-MRXNPFEDSA-N 1 1 261.340 2.921 20 30 CFEDMO C#CCC[N@@H+]1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000766965891 627229280 /nfs/dbraw/zinc/22/92/80/627229280.db2.gz JTAKLMFATICSRS-HOTGVXAUSA-N 1 1 256.393 2.605 20 30 CFEDMO C#CCCN1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000766965891 627229283 /nfs/dbraw/zinc/22/92/83/627229283.db2.gz JTAKLMFATICSRS-HOTGVXAUSA-N 1 1 256.393 2.605 20 30 CFEDMO C#CCCN1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000766965891 627229284 /nfs/dbraw/zinc/22/92/84/627229284.db2.gz JTAKLMFATICSRS-HOTGVXAUSA-N 1 1 256.393 2.605 20 30 CFEDMO C#CCOCC[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000851851227 634557043 /nfs/dbraw/zinc/55/70/43/634557043.db2.gz IYJOPHWHNSFPQC-UHFFFAOYSA-N 1 1 281.355 2.955 20 30 CFEDMO C[C@H]1CC(N=Nc2ccncc2)C[N@@H+](Cc2ccccc2)C1 ZINC000767384845 627246963 /nfs/dbraw/zinc/24/69/63/627246963.db2.gz CKDXYEUVTFUQMD-HNNXBMFYSA-N 1 1 294.402 2.813 20 30 CFEDMO C[C@@H](CC#N)NN=C1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000767387459 627247427 /nfs/dbraw/zinc/24/74/27/627247427.db2.gz IFACMTJXGXYUJB-CABCVRRESA-N 1 1 284.407 2.776 20 30 CFEDMO C[C@@H](CC#N)NN=C1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000767387459 627247430 /nfs/dbraw/zinc/24/74/30/627247430.db2.gz IFACMTJXGXYUJB-CABCVRRESA-N 1 1 284.407 2.776 20 30 CFEDMO CC(C)C[N@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC000768154104 627321951 /nfs/dbraw/zinc/32/19/51/627321951.db2.gz RXSANSPENFERJV-UHFFFAOYSA-N 1 1 256.353 2.935 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc2c[nH]nc2c1 ZINC000768154104 627321955 /nfs/dbraw/zinc/32/19/55/627321955.db2.gz RXSANSPENFERJV-UHFFFAOYSA-N 1 1 256.353 2.935 20 30 CFEDMO C#CCOc1ccc(C[N@H+](CCO)CCCCC)cc1 ZINC000768240757 627327986 /nfs/dbraw/zinc/32/79/86/627327986.db2.gz DUMSRXRZXLYBRE-UHFFFAOYSA-N 1 1 275.392 2.683 20 30 CFEDMO COc1cc(C[N@H+](C[C@H](C)C#N)C2CC2)c(O)cc1C ZINC000768461893 627345347 /nfs/dbraw/zinc/34/53/47/627345347.db2.gz HCGBRUJFVSWUEV-LLVKDONJSA-N 1 1 274.364 2.833 20 30 CFEDMO COc1cc(C[N@@H+](C[C@H](C)C#N)C2CC2)c(O)cc1C ZINC000768461893 627345350 /nfs/dbraw/zinc/34/53/50/627345350.db2.gz HCGBRUJFVSWUEV-LLVKDONJSA-N 1 1 274.364 2.833 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+](CC)C[C@H]1CCOC1 ZINC000768520576 627349260 /nfs/dbraw/zinc/34/92/60/627349260.db2.gz CJGKLZFYTBJKLR-OAHLLOKOSA-N 1 1 273.376 2.557 20 30 CFEDMO CCCCCCCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000768841066 627378257 /nfs/dbraw/zinc/37/82/57/627378257.db2.gz GHTLMKUTDWGUSS-ZIAGYGMSSA-N 1 1 254.418 2.898 20 30 CFEDMO CCC[N@@H+](Cc1ccc(O[C@H](C)C#N)cc1)CC(C)(C)O ZINC000769327222 627425156 /nfs/dbraw/zinc/42/51/56/627425156.db2.gz UEWUBGQHBQQZOM-CQSZACIVSA-N 1 1 290.407 2.960 20 30 CFEDMO C#CC[N@@H+](CC#CC)Cc1ccc(OCC=C)cc1 ZINC000769446802 627439054 /nfs/dbraw/zinc/43/90/54/627439054.db2.gz BLFLUEUKHHFKRQ-UHFFFAOYSA-N 1 1 253.345 2.710 20 30 CFEDMO C#CC[N@H+](CC#CC)Cc1ccc(OCC=C)cc1 ZINC000769446802 627439055 /nfs/dbraw/zinc/43/90/55/627439055.db2.gz BLFLUEUKHHFKRQ-UHFFFAOYSA-N 1 1 253.345 2.710 20 30 CFEDMO C#CCOc1ccccc1C[N@H+](C[C@H](C)OC)C(C)C ZINC000769474898 627445896 /nfs/dbraw/zinc/44/58/96/627445896.db2.gz SYKKUSQBASMLQG-HNNXBMFYSA-N 1 1 275.392 2.944 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000769486502 627447095 /nfs/dbraw/zinc/44/70/95/627447095.db2.gz BEOFJQOZGNAWHE-GASCZTMLSA-N 1 1 255.361 2.786 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000769513963 627450047 /nfs/dbraw/zinc/45/00/47/627450047.db2.gz HMTOPPGDTQJGAY-HNNXBMFYSA-N 1 1 255.361 2.931 20 30 CFEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1c(F)cccc1Cl ZINC000769826511 627479518 /nfs/dbraw/zinc/47/95/18/627479518.db2.gz FOMMKSKIQXKFMU-QMMMGPOBSA-N 1 1 255.724 2.829 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)c(Br)c1 ZINC000769975964 627493316 /nfs/dbraw/zinc/49/33/16/627493316.db2.gz QKUAMMIWTKCFHB-SNVBAGLBSA-N 1 1 282.181 2.911 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000769975390 627493447 /nfs/dbraw/zinc/49/34/47/627493447.db2.gz FDOPZFROZMGETC-GJZGRUSLSA-N 1 1 298.430 2.696 20 30 CFEDMO C#C[C@H](C)[N@H+](C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000769975390 627493450 /nfs/dbraw/zinc/49/34/50/627493450.db2.gz FDOPZFROZMGETC-GJZGRUSLSA-N 1 1 298.430 2.696 20 30 CFEDMO C#Cc1cccc(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000770128165 627503869 /nfs/dbraw/zinc/50/38/69/627503869.db2.gz GTQBJBJRAPCPDA-UHFFFAOYSA-N 1 1 299.418 2.911 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000770375498 627516430 /nfs/dbraw/zinc/51/64/30/627516430.db2.gz RRGOJQYYNSCDKB-AEFFLSMTSA-N 1 1 299.414 2.947 20 30 CFEDMO C#CC[C@@H]([NH2+]Cc1cc(C)nc(C)n1)c1ccccc1 ZINC000851900445 634580234 /nfs/dbraw/zinc/58/02/34/634580234.db2.gz DQBCXWXPAVTIGK-QGZVFWFLSA-N 1 1 265.360 2.948 20 30 CFEDMO CC(=NNC[C@@H](C)C#N)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000771102585 627577514 /nfs/dbraw/zinc/57/75/14/627577514.db2.gz GQNHBSARDPCCHA-LBPRGKRZSA-N 1 1 281.363 2.654 20 30 CFEDMO C[C@@H](C#N)CNN=C1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000771102635 627577736 /nfs/dbraw/zinc/57/77/36/627577736.db2.gz HBYKPXBWHFGLIF-LSDHHAIUSA-N 1 1 284.407 2.634 20 30 CFEDMO CC(C)CNN=C1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000771562996 627614339 /nfs/dbraw/zinc/61/43/39/627614339.db2.gz VBHDRVQBUSYHFM-AWEZNQCLSA-N 1 1 259.397 2.740 20 30 CFEDMO CC(C)CNN=C1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000771562996 627614341 /nfs/dbraw/zinc/61/43/41/627614341.db2.gz VBHDRVQBUSYHFM-AWEZNQCLSA-N 1 1 259.397 2.740 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772324889 627701694 /nfs/dbraw/zinc/70/16/94/627701694.db2.gz SNUYUPCGFCIEGT-STQMWFEESA-N 1 1 268.401 2.892 20 30 CFEDMO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cn2)cc1C#N ZINC000773082254 627780757 /nfs/dbraw/zinc/78/07/57/627780757.db2.gz GTUQOZVQQAWRKI-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO C#CCOCC[N@H+](C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000851934372 634598208 /nfs/dbraw/zinc/59/82/08/634598208.db2.gz JYPYVKKBRGJSRY-DLBZAZTESA-N 1 1 291.366 2.627 20 30 CFEDMO C=C(CC)C[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000773423526 627816901 /nfs/dbraw/zinc/81/69/01/627816901.db2.gz GHDPSULYUUKCKJ-CYBMUJFWSA-N 1 1 268.401 2.894 20 30 CFEDMO C=C(CC)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000773422020 627817254 /nfs/dbraw/zinc/81/72/54/627817254.db2.gz QCKFZZVZVJVIGB-CYBMUJFWSA-N 1 1 268.401 2.942 20 30 CFEDMO C[C@H](OC(=O)[C@H]1CCCC[N@@H+]1C)c1cccc(C#N)c1 ZINC000774045957 627881370 /nfs/dbraw/zinc/88/13/70/627881370.db2.gz VQGYRKAOJPOYOA-SWLSCSKDSA-N 1 1 272.348 2.647 20 30 CFEDMO C[C@H](OC(=O)[C@H]1CCCC[N@H+]1C)c1cccc(C#N)c1 ZINC000774045957 627881374 /nfs/dbraw/zinc/88/13/74/627881374.db2.gz VQGYRKAOJPOYOA-SWLSCSKDSA-N 1 1 272.348 2.647 20 30 CFEDMO CCOCCO[NH+]=C(C)c1ccc(F)cc1N(C)C ZINC000774418278 627923297 /nfs/dbraw/zinc/92/32/97/627923297.db2.gz SRPHAWRVIPYINX-UHFFFAOYSA-N 1 1 268.332 2.669 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CC2(C)CCC2)c1 ZINC000774844403 627969295 /nfs/dbraw/zinc/96/92/95/627969295.db2.gz AHJGSPAKQDITAH-UHFFFAOYSA-N 1 1 270.376 2.728 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)ccc1O ZINC000775184033 627999024 /nfs/dbraw/zinc/99/90/24/627999024.db2.gz SQJFSTBCQZCUQB-SECBINFHSA-N 1 1 268.154 2.608 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)[C@H]1CCCO1 ZINC000775340308 628011472 /nfs/dbraw/zinc/01/14/72/628011472.db2.gz GYRFFAPPMPKFAC-OEYIWLLWSA-N 1 1 259.349 2.673 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cnc(C(C)C)s1)[C@@H]1CCCO1 ZINC000775340224 628011572 /nfs/dbraw/zinc/01/15/72/628011572.db2.gz GEJKDGSOAVPGNF-OLZOCXBDSA-N 1 1 264.394 2.537 20 30 CFEDMO N#CCSCCCOC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000805543262 628012187 /nfs/dbraw/zinc/01/21/87/628012187.db2.gz GLNSTAUPXJNHPX-CQSZACIVSA-N 1 1 296.436 2.583 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1OC)[C@@H]1CCCO1 ZINC000775344184 628013367 /nfs/dbraw/zinc/01/33/67/628013367.db2.gz DPGUINGGXOQFMQ-HIFRSBDPSA-N 1 1 279.767 2.619 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1OC)[C@H]1CCCO1 ZINC000775344185 628013569 /nfs/dbraw/zinc/01/35/69/628013569.db2.gz DPGUINGGXOQFMQ-UKRRQHHQSA-N 1 1 279.767 2.619 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)[C@H]1CCCO1 ZINC000775572921 628040876 /nfs/dbraw/zinc/04/08/76/628040876.db2.gz DHZCLILGHPNNJW-LEWSCRJBSA-N 1 1 265.303 2.796 20 30 CFEDMO C=C(C)CC[N@@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000775590704 628043923 /nfs/dbraw/zinc/04/39/23/628043923.db2.gz OPLPKPOUKPFOPM-UHFFFAOYSA-N 1 1 268.401 2.753 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccn2)C1 ZINC000775621503 628047096 /nfs/dbraw/zinc/04/70/96/628047096.db2.gz ZUFDBEQTYDOKEQ-CQSZACIVSA-N 1 1 273.380 2.698 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000852009521 634625603 /nfs/dbraw/zinc/62/56/03/634625603.db2.gz QLQDBRFNGOLAEE-KRWDZBQOSA-N 1 1 277.371 2.985 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)[C@H](CC)CCCCC)CC1 ZINC000775685985 628055986 /nfs/dbraw/zinc/05/59/86/628055986.db2.gz AZRZKKCQZPTGPK-MRXNPFEDSA-N 1 1 278.440 2.760 20 30 CFEDMO N#CC1(C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)CC1 ZINC000775934330 628085698 /nfs/dbraw/zinc/08/56/98/628085698.db2.gz VVHAHCJDMWVMFK-INIZCTEOSA-N 1 1 270.376 2.736 20 30 CFEDMO COc1ccc(N2CCC[N@H+](CC3(C#N)CC3)CC2)cc1 ZINC000775947114 628087265 /nfs/dbraw/zinc/08/72/65/628087265.db2.gz YOCDYRYMSKEVGF-UHFFFAOYSA-N 1 1 285.391 2.511 20 30 CFEDMO COc1ccc(N2CCC[N@@H+](CC3(C#N)CC3)CC2)cc1 ZINC000775947114 628087270 /nfs/dbraw/zinc/08/72/70/628087270.db2.gz YOCDYRYMSKEVGF-UHFFFAOYSA-N 1 1 285.391 2.511 20 30 CFEDMO N#CC1(C[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000775971269 628088693 /nfs/dbraw/zinc/08/86/93/628088693.db2.gz AXBOIQCSSGTTIX-STQMWFEESA-N 1 1 276.405 2.940 20 30 CFEDMO N#CC1(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000775971269 628088694 /nfs/dbraw/zinc/08/86/94/628088694.db2.gz AXBOIQCSSGTTIX-STQMWFEESA-N 1 1 276.405 2.940 20 30 CFEDMO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000775981628 628089811 /nfs/dbraw/zinc/08/98/11/628089811.db2.gz SDLMXXMUHZLNFK-PBHICJAKSA-N 1 1 288.391 2.978 20 30 CFEDMO C[C@@H](NCC[N@@H+]1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000776164175 628109463 /nfs/dbraw/zinc/10/94/63/628109463.db2.gz XRNOQJQGYOJCHH-UONOGXRCSA-N 1 1 257.381 2.693 20 30 CFEDMO C[C@@H](NCC[N@H+]1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000776164175 628109465 /nfs/dbraw/zinc/10/94/65/628109465.db2.gz XRNOQJQGYOJCHH-UONOGXRCSA-N 1 1 257.381 2.693 20 30 CFEDMO C[C@H]1CC[N@H+](Cc2ccccc2)CC1=NNCC(F)F ZINC000776185506 628112591 /nfs/dbraw/zinc/11/25/91/628112591.db2.gz CBAOVOBOOSHNHN-LBPRGKRZSA-N 1 1 281.350 2.739 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=NNCC(F)F ZINC000776185506 628112595 /nfs/dbraw/zinc/11/25/95/628112595.db2.gz CBAOVOBOOSHNHN-LBPRGKRZSA-N 1 1 281.350 2.739 20 30 CFEDMO C=CC[C@H]([NH2+]Cc1ccoc1C(=O)OC)c1ccncc1 ZINC000776186534 628113570 /nfs/dbraw/zinc/11/35/70/628113570.db2.gz URPCVFOLDZIXOD-AWEZNQCLSA-N 1 1 286.331 2.868 20 30 CFEDMO C#CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000776610712 628165204 /nfs/dbraw/zinc/16/52/04/628165204.db2.gz VWYMEDLBSVTLTP-KGLIPLIRSA-N 1 1 280.412 2.730 20 30 CFEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)C=Nn1ccccc1=O ZINC000776786560 628177872 /nfs/dbraw/zinc/17/78/72/628177872.db2.gz FTWLLPGRZWUASQ-UHFFFAOYSA-N 1 1 297.402 2.840 20 30 CFEDMO C=CC[N@@H+](C)CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000778164493 628282207 /nfs/dbraw/zinc/28/22/07/628282207.db2.gz FDIBXAOADNCBRO-ATVHPVEESA-N 1 1 284.403 2.985 20 30 CFEDMO C=CC[N@H+](C)CC(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000778164493 628282208 /nfs/dbraw/zinc/28/22/08/628282208.db2.gz FDIBXAOADNCBRO-ATVHPVEESA-N 1 1 284.403 2.985 20 30 CFEDMO N#Cc1ccc(-c2ccn(C[N@H+]3CC=CCC3)n2)cc1 ZINC000778576539 628317365 /nfs/dbraw/zinc/31/73/65/628317365.db2.gz IIBBDKDNAQIUKI-UHFFFAOYSA-N 1 1 264.332 2.641 20 30 CFEDMO N#Cc1ccc(-c2ccn(C[N@@H+]3CC=CCC3)n2)cc1 ZINC000778576539 628317371 /nfs/dbraw/zinc/31/73/71/628317371.db2.gz IIBBDKDNAQIUKI-UHFFFAOYSA-N 1 1 264.332 2.641 20 30 CFEDMO C#CCOc1ccccc1OC(=O)[C@H](CC)[NH+](CC)CC ZINC000778636571 628321320 /nfs/dbraw/zinc/32/13/20/628321320.db2.gz SNKAYGZSOOZRJF-AWEZNQCLSA-N 1 1 289.375 2.724 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1ccc(C#N)cc1Cl ZINC000788440031 628342776 /nfs/dbraw/zinc/34/27/76/628342776.db2.gz ZYCISRXFMXMCJW-UHFFFAOYSA-N 1 1 270.723 2.865 20 30 CFEDMO C=CC[C@H](C(=O)NCC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC000779041884 628348407 /nfs/dbraw/zinc/34/84/07/628348407.db2.gz ZQUMYTOSAKYEKL-WBVHZDCISA-N 1 1 286.419 2.947 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)C[C@@H]1CCOC1 ZINC000779164986 628357568 /nfs/dbraw/zinc/35/75/68/628357568.db2.gz WSGAKRTYLXGIPQ-ZDUSSCGKSA-N 1 1 293.794 2.820 20 30 CFEDMO C[C@H](CC#N)[N@H+](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000779479350 628385003 /nfs/dbraw/zinc/38/50/03/628385003.db2.gz WCYKELIUKMORIO-CHWSQXEVSA-N 1 1 281.400 2.620 20 30 CFEDMO C[C@H](CC#N)[N@@H+](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000779479350 628385006 /nfs/dbraw/zinc/38/50/06/628385006.db2.gz WCYKELIUKMORIO-CHWSQXEVSA-N 1 1 281.400 2.620 20 30 CFEDMO CC(=NNC1=[NH+]C[C@H](C)N1)c1cc2cc(Cl)ccc2o1 ZINC000779797202 628407868 /nfs/dbraw/zinc/40/78/68/628407868.db2.gz BSPORVRUNOZGMO-QMMMGPOBSA-N 1 1 290.754 2.748 20 30 CFEDMO CC(N=Nc1ccncc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779807374 628407993 /nfs/dbraw/zinc/40/79/93/628407993.db2.gz UAEKOYVUSGIPIG-KRWDZBQOSA-N 1 1 294.402 2.813 20 30 CFEDMO C[C@H]1C[NH+]=C(NN=Cc2ccc(-c3ccccc3)cc2)N1 ZINC000779806063 628408113 /nfs/dbraw/zinc/40/81/13/628408113.db2.gz ZLNNJUHJCQYFRB-ZDUSSCGKSA-N 1 1 278.359 2.625 20 30 CFEDMO COc1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCC2 ZINC000779807220 628408354 /nfs/dbraw/zinc/40/83/54/628408354.db2.gz PMEWNHNRPGQNML-UHFFFAOYSA-N 1 1 267.332 2.665 20 30 CFEDMO Fc1cccc(F)c1-c1n[nH]cc1C=NNc1cc[nH+]cc1 ZINC000779809522 628408516 /nfs/dbraw/zinc/40/85/16/628408516.db2.gz PGGCIWUOMCRBRO-UHFFFAOYSA-N 1 1 299.284 2.618 20 30 CFEDMO Fc1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCS2 ZINC000779809001 628408622 /nfs/dbraw/zinc/40/86/22/628408622.db2.gz CSMIUCOSIBRNGT-UHFFFAOYSA-N 1 1 273.336 2.955 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1ccncc1 ZINC000779809881 628409237 /nfs/dbraw/zinc/40/92/37/628409237.db2.gz WWDNJPFLKGYXFA-HNNXBMFYSA-N 1 1 294.402 2.813 20 30 CFEDMO Cc1cccc(C=NNc2cc[nH+]cc2)c1OC(F)F ZINC000779811767 628409692 /nfs/dbraw/zinc/40/96/92/628409692.db2.gz UQHAOOISGJPEQV-UHFFFAOYSA-N 1 1 277.274 2.859 20 30 CFEDMO C#CCCCCCC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000780016086 628426854 /nfs/dbraw/zinc/42/68/54/628426854.db2.gz CMNAMGALPMIZCV-HUUCEWRRSA-N 1 1 264.413 2.511 20 30 CFEDMO CC1(C#N)CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000780334631 628456424 /nfs/dbraw/zinc/45/64/24/628456424.db2.gz ZHTPKHBCJRWCBO-CQSZACIVSA-N 1 1 280.318 2.624 20 30 CFEDMO C#CCCCCCC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000780372056 628458732 /nfs/dbraw/zinc/45/87/32/628458732.db2.gz MBUAXVKCUQDIAP-OAHLLOKOSA-N 1 1 264.413 2.561 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2ccc(Cl)s2)nc1 ZINC000780553822 628474915 /nfs/dbraw/zinc/47/49/15/628474915.db2.gz GHKCBVIYNMQUTH-UHFFFAOYSA-N 1 1 263.753 2.958 20 30 CFEDMO COc1ccc(C[NH2+]Cc2ccc(C#N)cn2)cc1Cl ZINC000780558272 628476697 /nfs/dbraw/zinc/47/66/97/628476697.db2.gz NLPRCMYKUHJYKK-UHFFFAOYSA-N 1 1 287.750 2.905 20 30 CFEDMO C#CCCCCCC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000780631516 628483068 /nfs/dbraw/zinc/48/30/68/628483068.db2.gz BFGQFTZYKGRGJT-INIZCTEOSA-N 1 1 278.440 2.664 20 30 CFEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nnnn1C1CCCCC1 ZINC000852103594 634659579 /nfs/dbraw/zinc/65/95/79/634659579.db2.gz LRFFLQJJLHICSV-SWLSCSKDSA-N 1 1 275.400 2.631 20 30 CFEDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1C#N)C2 ZINC000852108753 634660576 /nfs/dbraw/zinc/66/05/76/634660576.db2.gz MAQGQVTXYOAWEK-KRWDZBQOSA-N 1 1 287.382 2.615 20 30 CFEDMO CC[C@@H](C#N)OC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000781177844 628529846 /nfs/dbraw/zinc/52/98/46/628529846.db2.gz DDNWCJUXRFQPFR-HOTGVXAUSA-N 1 1 286.375 2.744 20 30 CFEDMO C[C@H](NCC[N@H+]1CCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000781420606 628547402 /nfs/dbraw/zinc/54/74/02/628547402.db2.gz BTUKUBIAWXIPBD-STQMWFEESA-N 1 1 275.371 2.832 20 30 CFEDMO C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000781420606 628547403 /nfs/dbraw/zinc/54/74/03/628547403.db2.gz BTUKUBIAWXIPBD-STQMWFEESA-N 1 1 275.371 2.832 20 30 CFEDMO CCc1noc(C)c1[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783294361 628698309 /nfs/dbraw/zinc/69/83/09/628698309.db2.gz OMSRILGZKJSMGM-JTQLQIEISA-N 1 1 270.336 2.663 20 30 CFEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000805749311 628729701 /nfs/dbraw/zinc/72/97/01/628729701.db2.gz WNKKZCRFYHBAOP-ZWKOTPCHSA-N 1 1 293.370 2.824 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccccn1 ZINC000852192859 634685094 /nfs/dbraw/zinc/68/50/94/634685094.db2.gz VKWLOVATZQXOOM-CXAGYDPISA-N 1 1 281.359 2.680 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1COC(=O)N(C)CC ZINC000805760752 628816684 /nfs/dbraw/zinc/81/66/84/628816684.db2.gz JMZZJFKYTXNVJW-CYBMUJFWSA-N 1 1 254.374 2.505 20 30 CFEDMO Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000784448933 628817834 /nfs/dbraw/zinc/81/78/34/628817834.db2.gz CFAVEMUIHSYPIG-CVEARBPZSA-N 1 1 258.365 2.654 20 30 CFEDMO Cc1ccc([C@H](O)C[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000784448933 628817835 /nfs/dbraw/zinc/81/78/35/628817835.db2.gz CFAVEMUIHSYPIG-CVEARBPZSA-N 1 1 258.365 2.654 20 30 CFEDMO COC(CC[N@@H+](C)[C@H](C)c1cccc(C#N)c1)OC ZINC000852190997 634683429 /nfs/dbraw/zinc/68/34/29/634683429.db2.gz AGWTWFUFQDFONY-GFCCVEGCSA-N 1 1 262.353 2.560 20 30 CFEDMO C=CC[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)C(C)C ZINC000785661086 628902036 /nfs/dbraw/zinc/90/20/36/628902036.db2.gz SPQAQAQIJHWYQS-UHFFFAOYSA-N 1 1 289.375 2.927 20 30 CFEDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)O[C@H](C#N)C1CCCCC1 ZINC000785743374 628910118 /nfs/dbraw/zinc/91/01/18/628910118.db2.gz QCFAMKLLKJQITC-UMVBOHGHSA-N 1 1 278.396 2.875 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)OCCCn1cc[nH+]c1C ZINC000785756595 628910919 /nfs/dbraw/zinc/91/09/19/628910919.db2.gz BQFSFDQXVBSKEM-AWEZNQCLSA-N 1 1 250.342 2.727 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000852216325 634692909 /nfs/dbraw/zinc/69/29/09/634692909.db2.gz ZOJFTGIKPAMQBS-HZPDHXFCSA-N 1 1 290.451 2.616 20 30 CFEDMO C=CCC[N@H+](C)Cn1ncc(Br)c1C1CC1 ZINC000786100525 628936882 /nfs/dbraw/zinc/93/68/82/628936882.db2.gz AYLXCDRYYJPCLZ-UHFFFAOYSA-N 1 1 284.201 2.988 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@@H](c2ccccc2F)CC1=O ZINC000786102366 628936943 /nfs/dbraw/zinc/93/69/43/628936943.db2.gz WJBQXVLDDHPBQT-ZDUSSCGKSA-N 1 1 276.355 2.607 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@](C)(C2CCCC2)CC1=O ZINC000786100868 628937017 /nfs/dbraw/zinc/93/70/17/628937017.db2.gz FSQWHQALBOBOLG-MRXNPFEDSA-N 1 1 264.413 2.881 20 30 CFEDMO C=C(CC)COC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786877305 628982401 /nfs/dbraw/zinc/98/24/01/628982401.db2.gz CQNSFIJEWBOWOA-CQSZACIVSA-N 1 1 251.370 2.903 20 30 CFEDMO N#CCCCCOC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786878093 628982499 /nfs/dbraw/zinc/98/24/99/628982499.db2.gz FZPYIAXHEXNSJZ-CQSZACIVSA-N 1 1 264.369 2.630 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805827895 628993388 /nfs/dbraw/zinc/99/33/88/628993388.db2.gz ZSUNRPDBMQSKGX-HNNXBMFYSA-N 1 1 278.396 2.533 20 30 CFEDMO C#CC[N@@H+](Cc1cc(Br)nn1C)C1CCCC1 ZINC000787197508 628998627 /nfs/dbraw/zinc/99/86/27/628998627.db2.gz CPYWOZCAFMALJE-UHFFFAOYSA-N 1 1 296.212 2.560 20 30 CFEDMO C#CC[N@H+](Cc1cc(Br)nn1C)C1CCCC1 ZINC000787197508 628998632 /nfs/dbraw/zinc/99/86/32/628998632.db2.gz CPYWOZCAFMALJE-UHFFFAOYSA-N 1 1 296.212 2.560 20 30 CFEDMO C#Cc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000787770767 629034318 /nfs/dbraw/zinc/03/43/18/629034318.db2.gz WBMTYZWDDOSFMU-UHFFFAOYSA-N 1 1 290.410 2.986 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000787998236 629047221 /nfs/dbraw/zinc/04/72/21/629047221.db2.gz YQQLXCJZCHMHJM-UHFFFAOYSA-N 1 1 299.370 2.824 20 30 CFEDMO C#CCC1(C(=O)NCC[N@H+](CC)CCC)CCCCC1 ZINC000788230355 629051725 /nfs/dbraw/zinc/05/17/25/629051725.db2.gz WSAZDNLOIIXPTH-UHFFFAOYSA-N 1 1 278.440 2.808 20 30 CFEDMO C#CCC1(C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)CCCCC1 ZINC000788238323 629052381 /nfs/dbraw/zinc/05/23/81/629052381.db2.gz LJDQQENWEBXAOL-CABCVRRESA-N 1 1 276.424 2.511 20 30 CFEDMO COc1cc(N=NC2C[C@@H](C)[N@@H+](C)C2)ccc1Cl ZINC000788472764 629072481 /nfs/dbraw/zinc/07/24/81/629072481.db2.gz YVGIQKKCGNJSEZ-SECBINFHSA-N 1 1 267.760 2.841 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1 ZINC000788857673 629105118 /nfs/dbraw/zinc/10/51/18/629105118.db2.gz WRWCDHLNKUHHTH-IRXDYDNUSA-N 1 1 271.404 2.897 20 30 CFEDMO C[C@@H](CCC#N)[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306500 634716920 /nfs/dbraw/zinc/71/69/20/634716920.db2.gz IHIKTRUARMJKSW-LBPRGKRZSA-N 1 1 283.416 2.914 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000790355333 629234609 /nfs/dbraw/zinc/23/46/09/629234609.db2.gz AHWPVWMOJIANIW-QMTHXVAHSA-N 1 1 294.757 2.538 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000790355333 629234611 /nfs/dbraw/zinc/23/46/11/629234611.db2.gz AHWPVWMOJIANIW-QMTHXVAHSA-N 1 1 294.757 2.538 20 30 CFEDMO C[C@@H](C[N@H+]1CCC[C@H](CC#N)C1)NC(=O)OC(C)(C)C ZINC000852318952 634718663 /nfs/dbraw/zinc/71/86/63/634718663.db2.gz CPTXBQGHUYGEPD-QWHCGFSZSA-N 1 1 281.400 2.525 20 30 CFEDMO Cc1cc(F)ccc1[C@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319230 634719774 /nfs/dbraw/zinc/71/97/74/634719774.db2.gz ICSNHZOTCHEWAS-CZUORRHYSA-N 1 1 276.355 2.793 20 30 CFEDMO Cc1ccc(OCC[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000852319820 634720808 /nfs/dbraw/zinc/72/08/08/634720808.db2.gz SBUUFQXHPNSNRX-OAHLLOKOSA-N 1 1 258.365 3.000 20 30 CFEDMO CC(=O)Oc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)cc1 ZINC000852320322 634721117 /nfs/dbraw/zinc/72/11/17/634721117.db2.gz YZEMEHGSYSTRJU-CQSZACIVSA-N 1 1 272.348 2.738 20 30 CFEDMO C#CC[N@@H+](CC#CC)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000791469703 629319080 /nfs/dbraw/zinc/31/90/80/629319080.db2.gz BOHRISIIQHXMGD-FQEVSTJZSA-N 1 1 291.394 2.702 20 30 CFEDMO C#CC[N@H+](CC#CC)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000791469703 629319082 /nfs/dbraw/zinc/31/90/82/629319082.db2.gz BOHRISIIQHXMGD-FQEVSTJZSA-N 1 1 291.394 2.702 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000791538489 629328973 /nfs/dbraw/zinc/32/89/73/629328973.db2.gz AQFKIEQXZLBOEQ-RDTXWAMCSA-N 1 1 267.372 2.697 20 30 CFEDMO C#CCC[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791642666 629341506 /nfs/dbraw/zinc/34/15/06/629341506.db2.gz QANOHLLPQOGWFS-INIZCTEOSA-N 1 1 271.360 2.608 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791642666 629341511 /nfs/dbraw/zinc/34/15/11/629341511.db2.gz QANOHLLPQOGWFS-INIZCTEOSA-N 1 1 271.360 2.608 20 30 CFEDMO C=CC[N@H+](CC[C@@H](O)c1ccccc1)[C@@H](C)COC ZINC000852356894 634731154 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YNVFQBMWEQORLH-HNNXBMFYSA-N 1 1 281.359 2.589 20 30 CFEDMO C#CCCOC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000859053644 636427838 /nfs/dbraw/zinc/42/78/38/636427838.db2.gz BYUFKDBPMOGQIS-ZDUSSCGKSA-N 1 1 297.358 2.991 20 30 CFEDMO C#CCCOC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000859079119 636444228 /nfs/dbraw/zinc/44/42/28/636444228.db2.gz NTPYZZBVOJGTJP-UHFFFAOYSA-N 1 1 288.391 2.647 20 30 CFEDMO C#C[C@H]([NH2+]Cc1nc2cc(C)ccc2s1)[C@H]1CCCO1 ZINC000859257737 636525241 /nfs/dbraw/zinc/52/52/41/636525241.db2.gz DVRMYQCVEPDLPG-GXTWGEPZSA-N 1 1 286.400 2.875 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)Cc1cccnc1C(F)(F)F ZINC000859279698 636529524 /nfs/dbraw/zinc/52/95/24/636529524.db2.gz DQKBXZBHCHVYKS-UHFFFAOYSA-N 1 1 256.271 2.944 20 30 CFEDMO C=CC[C@H]1CCC[N@@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859349094 636548666 /nfs/dbraw/zinc/54/86/66/636548666.db2.gz OQPONIMYMZHRCU-NSHDSACASA-N 1 1 253.777 2.862 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](Cc2cc(Cl)n(C)n2)C1 ZINC000859349094 636548672 /nfs/dbraw/zinc/54/86/72/636548672.db2.gz OQPONIMYMZHRCU-NSHDSACASA-N 1 1 253.777 2.862 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1cccnc1C(F)(F)F ZINC000859361911 636550894 /nfs/dbraw/zinc/55/08/94/636550894.db2.gz TVAHZSKKYBKARF-UHFFFAOYSA-N 1 1 286.297 2.572 20 30 CFEDMO C#CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCC ZINC000859377967 636552766 /nfs/dbraw/zinc/55/27/66/636552766.db2.gz JIJANATXOWAAQU-QZTJIDSGSA-N 1 1 298.430 2.674 20 30 CFEDMO C=CC[C@H]1CC[N@@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000859444229 636564291 /nfs/dbraw/zinc/56/42/91/636564291.db2.gz HIYOKUDSSKIVSZ-GOEBONIOSA-N 1 1 286.375 2.910 20 30 CFEDMO C=C(C)CC[N@@H+](CC)CCNC(=O)OC(C)(C)C ZINC000859533494 636592548 /nfs/dbraw/zinc/59/25/48/636592548.db2.gz NQIRECPKLHTANN-UHFFFAOYSA-N 1 1 256.390 2.799 20 30 CFEDMO C#CCCC[N@@H+]1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000859581908 636609335 /nfs/dbraw/zinc/60/93/35/636609335.db2.gz JGAITUAQLRCTLY-GOSISDBHSA-N 1 1 283.371 2.900 20 30 CFEDMO C#CC[N@H+](CCOCC1CC1)Cc1ccc(F)cc1 ZINC000159741786 650275792 /nfs/dbraw/zinc/27/57/92/650275792.db2.gz PTQLWJYPZZQAQB-UHFFFAOYSA-N 1 1 261.340 2.688 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927421 636743776 /nfs/dbraw/zinc/74/37/76/636743776.db2.gz GLFSBPLWRUCDFN-NXOAAHMSSA-N 1 1 257.377 2.659 20 30 CFEDMO C#CCCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000859958720 636751808 /nfs/dbraw/zinc/75/18/08/636751808.db2.gz JWKWENWKLMCMON-ZWKOTPCHSA-N 1 1 297.398 2.711 20 30 CFEDMO C[N@H+](Cc1ccccc1F)C[C@@H](O)c1ccc(C#N)cc1 ZINC000048873790 650281291 /nfs/dbraw/zinc/28/12/91/650281291.db2.gz CVLVRXWKTSFFDX-QGZVFWFLSA-N 1 1 284.334 2.863 20 30 CFEDMO C=C[C@H](C)NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000859999057 636758213 /nfs/dbraw/zinc/75/82/13/636758213.db2.gz HMKNRFLSJWNKID-RDJZCZTQSA-N 1 1 298.430 2.979 20 30 CFEDMO COc1ccc([C@H]2CC[N@@H+](CCO[C@H](C)C#N)C2)cc1F ZINC000860104232 636788379 /nfs/dbraw/zinc/78/83/79/636788379.db2.gz KTVWZIXPWMVWFG-OCCSQVGLSA-N 1 1 292.354 2.552 20 30 CFEDMO CCCCCCC[N@H+]1CCCC[C@H]1CNC(C)=O ZINC000860175110 636813409 /nfs/dbraw/zinc/81/34/09/636813409.db2.gz DVKFAVAWCRVLOS-HNNXBMFYSA-N 1 1 254.418 2.947 20 30 CFEDMO C#CCOc1cccc([C@H](C)OC(=O)Cn2c[nH+]cc2C)c1 ZINC000860534254 636906641 /nfs/dbraw/zinc/90/66/41/636906641.db2.gz VKRIROIFBWFHAR-AWEZNQCLSA-N 1 1 298.342 2.508 20 30 CFEDMO C#C[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCC ZINC000860948207 637028181 /nfs/dbraw/zinc/02/81/81/637028181.db2.gz XGAZEGIYEAPPQU-CGTJXYLNSA-N 1 1 298.430 2.673 20 30 CFEDMO C=CCCN(OCc1ccccc1)C(=O)Cn1c[nH+]cc1C ZINC000861196268 637110669 /nfs/dbraw/zinc/11/06/69/637110669.db2.gz FZAIGQVQVRMALY-UHFFFAOYSA-N 1 1 299.374 2.728 20 30 CFEDMO C#CC[N@H+](Cc1ccc(OC)c(OC2CC2)c1)C1CC1 ZINC000862327128 637321455 /nfs/dbraw/zinc/32/14/55/637321455.db2.gz ZAQBQSRSQPXOFQ-UHFFFAOYSA-N 1 1 271.360 2.834 20 30 CFEDMO C=CC[N@@H+](C)Cc1c(O)cccc1Br ZINC000862332860 637321948 /nfs/dbraw/zinc/32/19/48/637321948.db2.gz YXRHDGWOMUFDEM-UHFFFAOYSA-N 1 1 256.143 2.773 20 30 CFEDMO C=CC[N@H+](C)Cc1c(O)cccc1Br ZINC000862332860 637321953 /nfs/dbraw/zinc/32/19/53/637321953.db2.gz YXRHDGWOMUFDEM-UHFFFAOYSA-N 1 1 256.143 2.773 20 30 CFEDMO N#CC1(C[NH2+]Cc2c(O)cccc2Br)CCC1 ZINC000862396265 637355306 /nfs/dbraw/zinc/35/53/06/637355306.db2.gz KARJCNWCHPEHAE-UHFFFAOYSA-N 1 1 295.180 2.938 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000862442946 637381640 /nfs/dbraw/zinc/38/16/40/637381640.db2.gz IXVWXQQNZVYNSS-OAHLLOKOSA-N 1 1 265.360 2.718 20 30 CFEDMO C#CC[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000862443830 637383381 /nfs/dbraw/zinc/38/33/81/637383381.db2.gz VCALEZVTPQSTRH-GPAKFWEMSA-N 1 1 270.332 2.953 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000862443828 637383811 /nfs/dbraw/zinc/38/38/11/637383811.db2.gz VCALEZVTPQSTRH-BMWLXYDHSA-N 1 1 270.332 2.953 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000862444434 637384705 /nfs/dbraw/zinc/38/47/05/637384705.db2.gz AEQDDYMBOXWJIE-GFCCVEGCSA-N 1 1 271.389 2.983 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(OC)cc3c2O[C@@H](C)C3)C1 ZINC000862444762 637385070 /nfs/dbraw/zinc/38/50/70/637385070.db2.gz GTOHKHIPQUWOEU-UONOGXRCSA-N 1 1 285.387 2.864 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862447321 637386877 /nfs/dbraw/zinc/38/68/77/637386877.db2.gz LNUBGWBXKYRIMU-LLVKDONJSA-N 1 1 294.192 3.000 20 30 CFEDMO C#CC[C@H]1CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000862445317 637387167 /nfs/dbraw/zinc/38/71/67/637387167.db2.gz QIUNGEZUXMUBEF-ZDUSSCGKSA-N 1 1 280.412 2.635 20 30 CFEDMO C#CC[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000862566710 637432711 /nfs/dbraw/zinc/43/27/11/637432711.db2.gz SXWWNRDVXOBXID-RDJZCZTQSA-N 1 1 284.403 2.551 20 30 CFEDMO CCC(=[NH+]NCCC(F)(F)F)c1ccc(N)cc1 ZINC000863109584 637558812 /nfs/dbraw/zinc/55/88/12/637558812.db2.gz TWXSISSOBFZSBJ-UHFFFAOYSA-N 1 1 259.275 2.925 20 30 CFEDMO C[C@H]1CC(=Nn2cccn2)C[N@H+](Cc2ccccc2)C1 ZINC000863164103 637576484 /nfs/dbraw/zinc/57/64/84/637576484.db2.gz AQFNMUYUDKITOF-AWEZNQCLSA-N 1 1 268.364 2.629 20 30 CFEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1ccnc(C(F)(F)F)c1 ZINC000863181712 637581784 /nfs/dbraw/zinc/58/17/84/637581784.db2.gz QIDZVIDGXISTRM-SECBINFHSA-N 1 1 298.312 2.982 20 30 CFEDMO C=C(C)C[N@H+](C)CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000189189259 650366804 /nfs/dbraw/zinc/36/68/04/650366804.db2.gz FTRDVWKTXXSQLX-CYBMUJFWSA-N 1 1 252.402 2.737 20 30 CFEDMO C=C(C)C[N@@H+](C)CN1C[C@@H](CC(C)(C)C)CC1=O ZINC000189189259 650366809 /nfs/dbraw/zinc/36/68/09/650366809.db2.gz FTRDVWKTXXSQLX-CYBMUJFWSA-N 1 1 252.402 2.737 20 30 CFEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001085858836 782188427 /nfs/dbraw/zinc/18/84/27/782188427.db2.gz JYHCJWDMJZZCSE-BBWFWOEESA-N 1 1 284.403 2.509 20 30 CFEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001085858836 782188434 /nfs/dbraw/zinc/18/84/34/782188434.db2.gz JYHCJWDMJZZCSE-BBWFWOEESA-N 1 1 284.403 2.509 20 30 CFEDMO N#CCCCn1cc(C[NH2+][C@H]2CCCc3ccccc32)nn1 ZINC000864625231 638052249 /nfs/dbraw/zinc/05/22/49/638052249.db2.gz JMMVUTAIBIKJJX-KRWDZBQOSA-N 1 1 295.390 2.749 20 30 CFEDMO C=CCCC[N@H+](C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000076664605 650396766 /nfs/dbraw/zinc/39/67/66/650396766.db2.gz HGQGNGPKQCSDTF-HNNXBMFYSA-N 1 1 258.365 2.816 20 30 CFEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1coc(C#N)c1 ZINC000865076316 638180907 /nfs/dbraw/zinc/18/09/07/638180907.db2.gz GAFXNYGKDAULHA-AWEZNQCLSA-N 1 1 289.379 2.536 20 30 CFEDMO CCc1[nH+]c(C)cn1CC(=O)N(CCC#N)c1ccccc1 ZINC000865392047 638302440 /nfs/dbraw/zinc/30/24/40/638302440.db2.gz OVWAOZCFKCAEGC-UHFFFAOYSA-N 1 1 296.374 2.701 20 30 CFEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccc(N(C)C)nc1 ZINC000120530261 638312088 /nfs/dbraw/zinc/31/20/88/638312088.db2.gz CSRXJTAJERCYBH-UHFFFAOYSA-N 1 1 297.377 2.922 20 30 CFEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccc(N(C)C)nc1 ZINC000120530261 638312093 /nfs/dbraw/zinc/31/20/93/638312093.db2.gz CSRXJTAJERCYBH-UHFFFAOYSA-N 1 1 297.377 2.922 20 30 CFEDMO CC(C)[N@H+]1CC[C@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])C1 ZINC000865470490 638356978 /nfs/dbraw/zinc/35/69/78/638356978.db2.gz CCOVLERTLIDHHA-NSHDSACASA-N 1 1 292.314 2.500 20 30 CFEDMO C[C@@H]1CCC[N@H+]1CCNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865563872 638427074 /nfs/dbraw/zinc/42/70/74/638427074.db2.gz BSKATOUTXRRKGY-SNVBAGLBSA-N 1 1 292.314 2.502 20 30 CFEDMO COc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C#N ZINC000865860795 638621433 /nfs/dbraw/zinc/62/14/33/638621433.db2.gz XVOATTDNKAMWNS-HUUCEWRRSA-N 1 1 271.364 2.606 20 30 CFEDMO Cc1nnc(NC[C@H]2c3ccccc3C[N@H+]2C)c(C#N)c1C ZINC000866194100 638767331 /nfs/dbraw/zinc/76/73/31/638767331.db2.gz HAOKRVNSQVEJMY-INIZCTEOSA-N 1 1 293.374 2.564 20 30 CFEDMO Cc1nnc(NC[C@H]2c3ccccc3C[N@@H+]2C)c(C#N)c1C ZINC000866194100 638767333 /nfs/dbraw/zinc/76/73/33/638767333.db2.gz HAOKRVNSQVEJMY-INIZCTEOSA-N 1 1 293.374 2.564 20 30 CFEDMO CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(C#N)c1[O-] ZINC000866225223 638773769 /nfs/dbraw/zinc/77/37/69/638773769.db2.gz RJUPPLNAXSUPRH-ZDUSSCGKSA-N 1 1 275.396 2.645 20 30 CFEDMO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@@H]1O)c1cccc(C#N)c1O ZINC000866242651 638778603 /nfs/dbraw/zinc/77/86/03/638778603.db2.gz CZVBHVBRGHMXMJ-MZPVMMEZSA-N 1 1 294.354 2.573 20 30 CFEDMO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc(C#N)c2O)o1 ZINC000866271492 638785590 /nfs/dbraw/zinc/78/55/90/638785590.db2.gz MFGCEAUAMTWPTO-FZMZJTMJSA-N 1 1 286.331 2.550 20 30 CFEDMO C[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1cccc(C#N)c1O ZINC000866280833 638788387 /nfs/dbraw/zinc/78/83/87/638788387.db2.gz CZVBHVBRGHMXMJ-YMRXKLBXSA-N 1 1 294.354 2.573 20 30 CFEDMO C[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1cccc(C#N)c1O ZINC000866280831 638788493 /nfs/dbraw/zinc/78/84/93/638788493.db2.gz CZVBHVBRGHMXMJ-JECHBYEQSA-N 1 1 294.354 2.573 20 30 CFEDMO C=CCSCC[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000866292309 638790363 /nfs/dbraw/zinc/79/03/63/638790363.db2.gz JUWSPSORZQQKNK-OCCSQVGLSA-N 1 1 267.369 2.967 20 30 CFEDMO C=C(C)COCC[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866304906 638793399 /nfs/dbraw/zinc/79/33/99/638793399.db2.gz BCACDLXGYMUMJJ-ZFWWWQNUSA-N 1 1 265.328 2.641 20 30 CFEDMO COc1ccncc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866365331 638805258 /nfs/dbraw/zinc/80/52/58/638805258.db2.gz VBXCXTTUFWZQBV-NSHDSACASA-N 1 1 283.331 2.518 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000866586029 638849880 /nfs/dbraw/zinc/84/98/80/638849880.db2.gz ZKWGGAUWABIHRR-XOKHGSTOSA-N 1 1 269.392 2.645 20 30 CFEDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000870122208 639522088 /nfs/dbraw/zinc/52/20/88/639522088.db2.gz GXCUPXXWNPDELX-HNNXBMFYSA-N 1 1 299.418 2.832 20 30 CFEDMO CCCCC(N)=[NH+]OCCc1ccc(OC)cc1 ZINC000123203826 639739197 /nfs/dbraw/zinc/73/91/97/639739197.db2.gz ODAZAXMCTVBGQI-UHFFFAOYSA-N 1 1 250.342 2.717 20 30 CFEDMO COc1ccc(CCO[NH+]=C(N)CC(C)C)cc1 ZINC000123202686 639739347 /nfs/dbraw/zinc/73/93/47/639739347.db2.gz GYRUFVRUWKMOSZ-UHFFFAOYSA-N 1 1 250.342 2.573 20 30 CFEDMO N#CCSCC(=O)OC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000870732975 639798417 /nfs/dbraw/zinc/79/84/17/639798417.db2.gz LSERRURVBRLDNV-CQSZACIVSA-N 1 1 296.436 2.583 20 30 CFEDMO C#CC[N@@H+](C)CCOc1ccccc1C(F)(F)F ZINC000192230488 650551029 /nfs/dbraw/zinc/55/10/29/650551029.db2.gz ULWPSSAOHUMFDT-UHFFFAOYSA-N 1 1 257.255 2.649 20 30 CFEDMO N#C[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1 ZINC000079830000 650622247 /nfs/dbraw/zinc/62/22/47/650622247.db2.gz BPKFQWLVSOMCDT-CYBMUJFWSA-N 1 1 251.333 2.970 20 30 CFEDMO N#C[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000079830000 650622250 /nfs/dbraw/zinc/62/22/50/650622250.db2.gz BPKFQWLVSOMCDT-CYBMUJFWSA-N 1 1 251.333 2.970 20 30 CFEDMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)CCCCC#N ZINC000870787033 641071531 /nfs/dbraw/zinc/07/15/31/641071531.db2.gz TXBTVAOSSQGYMY-KBPBESRZSA-N 1 1 266.385 2.876 20 30 CFEDMO C=CCC1(C(=O)N2CC[N@H+](C)C(C)(C)CC2)CCC1 ZINC000871157013 641221141 /nfs/dbraw/zinc/22/11/41/641221141.db2.gz RURJIOLKAIRANI-UHFFFAOYSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001018021169 651263767 /nfs/dbraw/zinc/26/37/67/651263767.db2.gz XCCNDAGQEGDCNT-KFWWJZLASA-N 1 1 264.413 2.530 20 30 CFEDMO CCCc1[nH+]ccn1CC(=O)[C@H](C#N)c1ccccc1 ZINC000871659991 641387933 /nfs/dbraw/zinc/38/79/33/641387933.db2.gz BFCODHVVWJBYFK-CQSZACIVSA-N 1 1 267.332 2.712 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2ccc(OC)cc2)no1 ZINC000871782625 641454458 /nfs/dbraw/zinc/45/44/58/641454458.db2.gz UOGCVXFJJZZBTC-LBPRGKRZSA-N 1 1 293.754 2.811 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(CCCOC(C)C)no1 ZINC000872174735 641693533 /nfs/dbraw/zinc/69/35/33/641693533.db2.gz FXVKMUJGPNDWHE-SNVBAGLBSA-N 1 1 273.764 2.570 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cccc(C)n2)no1 ZINC000872175655 641694418 /nfs/dbraw/zinc/69/44/18/641694418.db2.gz KLXCDFYQUFVPLP-VIFPVBQESA-N 1 1 264.716 2.582 20 30 CFEDMO CC1(C)[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(F)cc2C#N)[C@@H]1O ZINC000872257501 641721128 /nfs/dbraw/zinc/72/11/28/641721128.db2.gz JDVUKPBVNGXILE-XHSDSOJGSA-N 1 1 288.366 2.679 20 30 CFEDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2ccc(F)cc2C#N)[C@@H]1O ZINC000872257501 641721134 /nfs/dbraw/zinc/72/11/34/641721134.db2.gz JDVUKPBVNGXILE-XHSDSOJGSA-N 1 1 288.366 2.679 20 30 CFEDMO Cc1ccc(C[N@H+]2CCN(C)c3ncccc3C2)cc1C#N ZINC000872318855 641754727 /nfs/dbraw/zinc/75/47/27/641754727.db2.gz AUBMQIXJWIIHPJ-UHFFFAOYSA-N 1 1 292.386 2.714 20 30 CFEDMO Cc1ccc(C[N@@H+]2CCN(C)c3ncccc3C2)cc1C#N ZINC000872318855 641754730 /nfs/dbraw/zinc/75/47/30/641754730.db2.gz AUBMQIXJWIIHPJ-UHFFFAOYSA-N 1 1 292.386 2.714 20 30 CFEDMO N#Cc1cccc(N=NC2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000872339998 641759090 /nfs/dbraw/zinc/75/90/90/641759090.db2.gz IKSKCXIUVADRQY-OAHLLOKOSA-N 1 1 286.404 2.537 20 30 CFEDMO N#Cc1cccc(N=NC2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000872339998 641759095 /nfs/dbraw/zinc/75/90/95/641759095.db2.gz IKSKCXIUVADRQY-OAHLLOKOSA-N 1 1 286.404 2.537 20 30 CFEDMO C[C@@H]1C(N=Nc2cc(F)c(F)c(F)c2)CC[N@H+]1C ZINC000872355565 641765068 /nfs/dbraw/zinc/76/50/68/641765068.db2.gz YAWGIBIEELIJAF-SSDOTTSWSA-N 1 1 257.259 2.596 20 30 CFEDMO Clc1ccnc(N=NC2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000872364646 641770184 /nfs/dbraw/zinc/77/01/84/641770184.db2.gz PYHJKXMVLSWWBK-GFCCVEGCSA-N 1 1 296.827 2.714 20 30 CFEDMO Clc1ccnc(N=NC2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000872364646 641770190 /nfs/dbraw/zinc/77/01/90/641770190.db2.gz PYHJKXMVLSWWBK-GFCCVEGCSA-N 1 1 296.827 2.714 20 30 CFEDMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=NN2CCC2)C3)cc1 ZINC000872396554 641791121 /nfs/dbraw/zinc/79/11/21/641791121.db2.gz FCSYABMJGBYVAT-CALCHBBNSA-N 1 1 269.392 2.875 20 30 CFEDMO c1ccc2nc(CNN=C3CC[N@H+]4CCC[C@H]34)ccc2c1 ZINC000872410301 641799142 /nfs/dbraw/zinc/79/91/42/641799142.db2.gz WHFVPCPFKPOXEA-QGZVFWFLSA-N 1 1 280.375 2.549 20 30 CFEDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000873111530 642014127 /nfs/dbraw/zinc/01/41/27/642014127.db2.gz CQYNSXMFGAZFAT-UHFFFAOYSA-N 1 1 296.330 2.768 20 30 CFEDMO CC(C)(C)[C@]1(C[NH3+])CCN(Cc2cccc(C#N)c2)C1 ZINC000873223107 642076046 /nfs/dbraw/zinc/07/60/46/642076046.db2.gz HUUFQCTXCGEMFC-KRWDZBQOSA-N 1 1 271.408 2.755 20 30 CFEDMO C#CC[N@H+](CCc1ccc(C)cc1)C[C@@H]1CCCO1 ZINC000124993003 642379099 /nfs/dbraw/zinc/37/90/99/642379099.db2.gz GUJFONIPVBNSIM-KRWDZBQOSA-N 1 1 257.377 2.652 20 30 CFEDMO C#C[C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000874864535 642535793 /nfs/dbraw/zinc/53/57/93/642535793.db2.gz JISDDZDYXOBZDL-KBAYOESNSA-N 1 1 298.430 2.988 20 30 CFEDMO Cc1ccc(-c2noc(CO[NH+]=C(N)CC(C)C)n2)cc1 ZINC000125459153 642636600 /nfs/dbraw/zinc/63/66/00/642636600.db2.gz ARSPKDOCLMSQSO-UHFFFAOYSA-N 1 1 288.351 2.880 20 30 CFEDMO CCCCCCCNC(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC000875761739 642681049 /nfs/dbraw/zinc/68/10/49/642681049.db2.gz MMZFFLQTPGYPBV-AWEZNQCLSA-N 1 1 269.433 2.692 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCCN(C(C)C)CC1 ZINC000876523362 642903955 /nfs/dbraw/zinc/90/39/55/642903955.db2.gz SYSCDJIKIGEMNG-UHFFFAOYSA-N 1 1 250.430 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CFEDMO C#CCCCCCC[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000876762167 642998782 /nfs/dbraw/zinc/99/87/82/642998782.db2.gz ASEZUUPBCWXBKF-GFCCVEGCSA-N 1 1 263.303 2.569 20 30 CFEDMO CC1(C)[C@@H]2C[N@@H+](Cc3cc(C#N)cnc3Cl)C[C@@H]21 ZINC000876769124 643001771 /nfs/dbraw/zinc/00/17/71/643001771.db2.gz OVMHUOQBDOWCDD-TXEJJXNPSA-N 1 1 261.756 2.694 20 30 CFEDMO CC1(C)[C@@H]2C[N@H+](Cc3cc(C#N)cnc3Cl)C[C@@H]21 ZINC000876769124 643001781 /nfs/dbraw/zinc/00/17/81/643001781.db2.gz OVMHUOQBDOWCDD-TXEJJXNPSA-N 1 1 261.756 2.694 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000876782098 643008238 /nfs/dbraw/zinc/00/82/38/643008238.db2.gz OKXCITJYSZLFCK-HNNXBMFYSA-N 1 1 269.392 2.856 20 30 CFEDMO CCCCCCCNC(=O)[C@@H]([NH3+])c1ccccc1OC ZINC000876987646 643094479 /nfs/dbraw/zinc/09/44/79/643094479.db2.gz CXFHWJNZDJAMOU-HNNXBMFYSA-N 1 1 278.396 2.782 20 30 CFEDMO C=CC[C@H]([NH2+]Cc1snnc1C)c1ccncc1 ZINC000877046225 643118513 /nfs/dbraw/zinc/11/85/13/643118513.db2.gz JLIXAGFZILTBHG-LBPRGKRZSA-N 1 1 260.366 2.649 20 30 CFEDMO C[C@H](C#N)C[NH2+]Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000877321347 643237871 /nfs/dbraw/zinc/23/78/71/643237871.db2.gz JBNLQSMPORFDOD-SNVBAGLBSA-N 1 1 290.317 2.615 20 30 CFEDMO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)C#N ZINC000877323399 643238947 /nfs/dbraw/zinc/23/89/47/643238947.db2.gz MYBVUNGHRXIMQN-UHFFFAOYSA-N 1 1 261.325 2.851 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877364111 643247648 /nfs/dbraw/zinc/24/76/48/643247648.db2.gz KOBMTNOWYOGADH-LBPRGKRZSA-N 1 1 261.325 2.994 20 30 CFEDMO C#CCCCCC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000245614071 650825345 /nfs/dbraw/zinc/82/53/45/650825345.db2.gz UNIFHEKZNKEMHN-XHSDSOJGSA-N 1 1 278.440 2.663 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000877480530 643297302 /nfs/dbraw/zinc/29/73/02/643297302.db2.gz YFHNQEUGEJGTKC-LLVKDONJSA-N 1 1 289.329 2.819 20 30 CFEDMO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)C[C@@H](C2CC2)O1 ZINC000877487440 643303451 /nfs/dbraw/zinc/30/34/51/643303451.db2.gz UPBQFMCUOXSOOP-UGSOOPFHSA-N 1 1 299.418 2.624 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)C[C@@H](C2CC2)O1 ZINC000877487440 643303457 /nfs/dbraw/zinc/30/34/57/643303457.db2.gz UPBQFMCUOXSOOP-UGSOOPFHSA-N 1 1 299.418 2.624 20 30 CFEDMO CO[C@]1(C)CCC[N@@H+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000877492163 643305716 /nfs/dbraw/zinc/30/57/16/643305716.db2.gz SUBJQWQLJBUVDO-OAHLLOKOSA-N 1 1 293.798 2.998 20 30 CFEDMO C#CCCCCCC[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000877501136 643313180 /nfs/dbraw/zinc/31/31/80/643313180.db2.gz JGBWORMTCGLSBM-GOSISDBHSA-N 1 1 292.467 2.614 20 30 CFEDMO C#C[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000877514885 643321545 /nfs/dbraw/zinc/32/15/45/643321545.db2.gz WYEAUEMZONOWBY-LURJTMIESA-N 1 1 289.154 2.530 20 30 CFEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)C1CCC(CO)CC1 ZINC000877532340 643336169 /nfs/dbraw/zinc/33/61/69/643336169.db2.gz VFOQKMWRDRILLS-UHFFFAOYSA-N 1 1 293.798 2.590 20 30 CFEDMO CCC[C@@H]1C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000245728695 650831921 /nfs/dbraw/zinc/83/19/21/650831921.db2.gz JHORWADVRQEQLH-RHSMWYFYSA-N 1 1 288.391 2.978 20 30 CFEDMO CCC[C@@H]1C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000245728695 650831924 /nfs/dbraw/zinc/83/19/24/650831924.db2.gz JHORWADVRQEQLH-RHSMWYFYSA-N 1 1 288.391 2.978 20 30 CFEDMO C#C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 ZINC000877544400 643346177 /nfs/dbraw/zinc/34/61/77/643346177.db2.gz PGYAZKLTLDJKNT-WQVCFCJDSA-N 1 1 260.356 2.572 20 30 CFEDMO C#CCCCCCC[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000877560013 643360004 /nfs/dbraw/zinc/36/00/04/643360004.db2.gz DBPLYDYFXYKFOS-DLBZAZTESA-N 1 1 298.430 2.851 20 30 CFEDMO COc1ccc2c(c1)C[N@H+](C[C@@H](C)CCC#N)CCO2 ZINC000877567728 643366732 /nfs/dbraw/zinc/36/67/32/643366732.db2.gz QOAYKQXIRRUHJU-ZDUSSCGKSA-N 1 1 274.364 2.829 20 30 CFEDMO C[C@H](CCC#N)C[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000877572202 643370378 /nfs/dbraw/zinc/37/03/78/643370378.db2.gz CJGKAMYJQAVJNI-LLVKDONJSA-N 1 1 281.425 2.742 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000877572202 643370393 /nfs/dbraw/zinc/37/03/93/643370393.db2.gz CJGKAMYJQAVJNI-LLVKDONJSA-N 1 1 281.425 2.742 20 30 CFEDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2cc(C#N)cnc2Cl)C1 ZINC000877575853 643373923 /nfs/dbraw/zinc/37/39/23/643373923.db2.gz ATUDXRWHMCVBKD-CQSZACIVSA-N 1 1 292.814 2.521 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000877587054 643381929 /nfs/dbraw/zinc/38/19/29/643381929.db2.gz CBVPTYAFTJWADI-GOSISDBHSA-N 1 1 299.418 2.625 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000877587054 643381931 /nfs/dbraw/zinc/38/19/31/643381931.db2.gz CBVPTYAFTJWADI-GOSISDBHSA-N 1 1 299.418 2.625 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cncc(OC)c2C)C1 ZINC000877605075 643393538 /nfs/dbraw/zinc/39/35/38/643393538.db2.gz LXFCBFQWDRAKEW-AWEZNQCLSA-N 1 1 258.365 2.634 20 30 CFEDMO CC[N@H+](CCSC)Cc1cc(C#N)cnc1Cl ZINC000877607410 643394683 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C=CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)c2[nH]ccc2C)C1 ZINC001025414972 775649706 /nfs/dbraw/zinc/64/97/06/775649706.db2.gz RSUKGVDZNJMMOR-HUUCEWRRSA-N 1 1 289.423 2.730 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2C=CC=CC=C2)C1 ZINC001025432288 775655604 /nfs/dbraw/zinc/65/56/04/775655604.db2.gz UCRHUTUDQQQHDT-WBVHZDCISA-N 1 1 286.419 2.688 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C23CCC(CC2)C3)C1 ZINC001025460343 775670812 /nfs/dbraw/zinc/67/08/12/775670812.db2.gz YTSLUYMANAOIKI-UERKLNTKSA-N 1 1 290.451 2.969 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2cc(F)c[nH]2)C1 ZINC001025484825 775680225 /nfs/dbraw/zinc/68/02/25/775680225.db2.gz JTZSOVMADNDVQU-OLZOCXBDSA-N 1 1 293.386 2.560 20 30 CFEDMO C#Cc1ccc(C(=O)N[C@H](C)[C@H]2CCC[N@H+](CCC)C2)cc1 ZINC001025501262 775683076 /nfs/dbraw/zinc/68/30/76/775683076.db2.gz BWVYILSMSZEVNV-QAPCUYQASA-N 1 1 298.430 2.908 20 30 CFEDMO C#Cc1ccc(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](CCC)C2)cc1 ZINC001025501260 775683219 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C=C[C@H](CC)CC(=O)N[C@@H]1CCC[N@@H+](CCCF)C1 ZINC001267619140 775700056 /nfs/dbraw/zinc/70/00/56/775700056.db2.gz ZTQRZMOLLLFUEZ-ZIAGYGMSSA-N 1 1 270.392 2.529 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](CC)C(C)C)C1 ZINC001267619913 775703179 /nfs/dbraw/zinc/70/31/79/775703179.db2.gz JTOINUJULLIEOA-HUUCEWRRSA-N 1 1 266.429 2.825 20 30 CFEDMO C=CCCCCC[N@H+]1CCC[C@H](NC(=O)c2ccon2)C1 ZINC001267622853 775707733 /nfs/dbraw/zinc/70/77/33/775707733.db2.gz RSCNGINYHQRXHE-AWEZNQCLSA-N 1 1 291.395 2.615 20 30 CFEDMO C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001267624307 775708713 /nfs/dbraw/zinc/70/87/13/775708713.db2.gz ZEABXXISQMNJEB-MWDXBVQZSA-N 1 1 290.451 2.969 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C)cc2)C1 ZINC001025610541 775708819 /nfs/dbraw/zinc/70/88/19/775708819.db2.gz XGJTUUBENZFGNL-AEFFLSMTSA-N 1 1 298.430 2.849 20 30 CFEDMO C=CCCC(=O)N[C@H]1CCC[N@H+]([C@@H](C)CCC=C)C1 ZINC001267623442 775709168 /nfs/dbraw/zinc/70/91/68/775709168.db2.gz OSCGYSDQCGWICC-GJZGRUSLSA-N 1 1 264.413 2.888 20 30 CFEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCN(C(=O)C(C)C)C1 ZINC001267625858 775711164 /nfs/dbraw/zinc/71/11/64/775711164.db2.gz QNJCLOPRDHDJBQ-HUUCEWRRSA-N 1 1 266.429 2.777 20 30 CFEDMO C=CCC[N@H+](C)C[C@H]1CCN(C(=O)/C=C\c2ccco2)C1 ZINC001267625987 775712286 /nfs/dbraw/zinc/71/22/86/775712286.db2.gz QQHXFSJUWWBLDB-ZPIQOJFGSA-N 1 1 288.391 2.649 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@H+](C/C=C\Cl)C1 ZINC001267630123 775716339 /nfs/dbraw/zinc/71/63/39/775716339.db2.gz ZQZRBAAWODVJCI-IVSDIMSDSA-N 1 1 284.831 2.922 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@@H+](C/C=C\Cl)C1 ZINC001267630123 775716348 /nfs/dbraw/zinc/71/63/48/775716348.db2.gz ZQZRBAAWODVJCI-IVSDIMSDSA-N 1 1 284.831 2.922 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C(CC)(CC)CC)C1 ZINC001267632392 775719795 /nfs/dbraw/zinc/71/97/95/775719795.db2.gz OPNHGEGUQXMICR-HNNXBMFYSA-N 1 1 278.440 2.807 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)c2ccc(F)s2)C1 ZINC001025633705 775720806 /nfs/dbraw/zinc/72/08/06/775720806.db2.gz DINGTAQNQTXVTH-NWDGAFQWSA-N 1 1 296.411 2.904 20 30 CFEDMO C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001267633284 775721251 /nfs/dbraw/zinc/72/12/51/775721251.db2.gz WHLUIXBJBXWTPK-MZLJFPOFSA-N 1 1 276.424 2.699 20 30 CFEDMO CCCCCCC[NH+]1CC(NC(=O)c2ccc(C)nc2)C1 ZINC001267636849 775724337 /nfs/dbraw/zinc/72/43/37/775724337.db2.gz MIYOCNIXCHUDBJ-UHFFFAOYSA-N 1 1 289.423 2.774 20 30 CFEDMO CCc1cccc(CC)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@H+]2C ZINC001226177537 775725909 /nfs/dbraw/zinc/72/59/09/775725909.db2.gz OORZFNHQSCGAGL-XHSLCFAUSA-N 1 1 287.403 2.803 20 30 CFEDMO CCc1cccc(CC)c1O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)[N@@H+]2C ZINC001226177537 775725920 /nfs/dbraw/zinc/72/59/20/775725920.db2.gz OORZFNHQSCGAGL-XHSLCFAUSA-N 1 1 287.403 2.803 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)oc1C ZINC001038047352 775729331 /nfs/dbraw/zinc/72/93/31/775729331.db2.gz DSRPMJFUBWPOTC-AWEZNQCLSA-N 1 1 276.380 2.667 20 30 CFEDMO C#CCCCC(=O)NC1C[NH+](CCCC2CCCC2)C1 ZINC001267643773 775731496 /nfs/dbraw/zinc/73/14/96/775731496.db2.gz WOZLDFNZSXUGHH-UHFFFAOYSA-N 1 1 276.424 2.561 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCC[C@H]1CC ZINC001025819888 775751675 /nfs/dbraw/zinc/75/16/75/775751675.db2.gz LIJBYBJSFBOCHZ-LFRCEIEQSA-N 1 1 290.451 2.825 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCC[C@@H]1CC ZINC001025819890 775752553 /nfs/dbraw/zinc/75/25/53/775752553.db2.gz LIJBYBJSFBOCHZ-ZNFSNMQZSA-N 1 1 290.451 2.825 20 30 CFEDMO C=C[C@](C)(CC)C(=O)NC1C[NH+](CC/C=C\CC)C1 ZINC001267658073 775755632 /nfs/dbraw/zinc/75/56/32/775755632.db2.gz ARRYAPARJDZXHX-HLRDLLSLSA-N 1 1 264.413 2.745 20 30 CFEDMO C=CCCCC(=O)NC1C[NH+](Cc2ccccc2CC)C1 ZINC001267657568 775756297 /nfs/dbraw/zinc/75/62/97/775756297.db2.gz ZQENQGXYVBDAAK-UHFFFAOYSA-N 1 1 286.419 2.906 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)[C@@H](CC)Cc2ccccc2)C1 ZINC001267664098 775762647 /nfs/dbraw/zinc/76/26/47/775762647.db2.gz VJBYVWAEDFYWQQ-INIZCTEOSA-N 1 1 286.419 2.632 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H](C[N@@H+](C)CC(=C)C)C1 ZINC001267683013 775775972 /nfs/dbraw/zinc/77/59/72/775775972.db2.gz IBBBIPJKIPTCPS-WBVHZDCISA-N 1 1 278.440 2.945 20 30 CFEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)CC(C)C)C1 ZINC001267696391 775785359 /nfs/dbraw/zinc/78/53/59/775785359.db2.gz FFUWBQGRNKVWDH-IRXDYDNUSA-N 1 1 292.467 2.862 20 30 CFEDMO C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001267696561 775786781 /nfs/dbraw/zinc/78/67/81/775786781.db2.gz HWIMVCYOBBPDFF-CVEARBPZSA-N 1 1 278.440 2.616 20 30 CFEDMO CC[N@H+]1CCC[C@@H](Oc2nc(C(C)C)ccc2C#N)C1 ZINC001226354312 775787476 /nfs/dbraw/zinc/78/74/76/775787476.db2.gz RJNXQLKACJLSHW-CQSZACIVSA-N 1 1 273.380 2.940 20 30 CFEDMO CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)CC(C)C)C1 ZINC001267697058 775787667 /nfs/dbraw/zinc/78/76/67/775787667.db2.gz NVCLWLGQVKDVCF-IRXDYDNUSA-N 1 1 292.467 2.862 20 30 CFEDMO C=CCn1cccc1C(=O)NC[C@H]1CC[N@@H+]1CCC(C)C ZINC001038345960 775796139 /nfs/dbraw/zinc/79/61/39/775796139.db2.gz SKRBULUTFDRNDJ-OAHLLOKOSA-N 1 1 289.423 2.524 20 30 CFEDMO C=CCCC(=O)N1CCC(C[N@H+](C)C[C@@H](F)CC)CC1 ZINC001267718331 775807767 /nfs/dbraw/zinc/80/77/67/775807767.db2.gz GSRPSIWGYMGUMX-HNNXBMFYSA-N 1 1 284.419 2.871 20 30 CFEDMO C=CCCC(=O)N1CCC(C[N@H+](C)CCOC(C)C)CC1 ZINC001267718923 775808699 /nfs/dbraw/zinc/80/86/99/775808699.db2.gz UCJSFNCBPRTAKE-UHFFFAOYSA-N 1 1 296.455 2.548 20 30 CFEDMO C=C(C)CCC(=O)N[C@H]1CC[N@H+](CC/C=C/CC)C1 ZINC001267723819 775814459 /nfs/dbraw/zinc/81/44/59/775814459.db2.gz LODBFMDMFOUMBU-NFAHFFEMSA-N 1 1 264.413 2.890 20 30 CFEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@@H+](C[C@H](F)CC)C1 ZINC001267723881 775814727 /nfs/dbraw/zinc/81/47/27/775814727.db2.gz NFBJJCNCDNSWNS-CABCVRRESA-N 1 1 282.403 2.693 20 30 CFEDMO C=CCC(CC=C)C(=O)N[C@H]1CC[N@H+](C[C@H](F)CC)C1 ZINC001267723881 775814739 /nfs/dbraw/zinc/81/47/39/775814739.db2.gz NFBJJCNCDNSWNS-CABCVRRESA-N 1 1 282.403 2.693 20 30 CFEDMO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](CCCCCF)C1 ZINC001267724300 775815588 /nfs/dbraw/zinc/81/55/88/775815588.db2.gz XHERBCDDBVUTAV-AWEZNQCLSA-N 1 1 284.419 2.919 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[C@@H]1CC ZINC001026131359 775821786 /nfs/dbraw/zinc/82/17/86/775821786.db2.gz YFFZHTBXTLAMTD-DMRKSPOLSA-N 1 1 290.451 2.825 20 30 CFEDMO C=CCCCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001267728882 775824283 /nfs/dbraw/zinc/82/42/83/775824283.db2.gz PGTPURONTCTXEF-GJZGRUSLSA-N 1 1 276.424 2.723 20 30 CFEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)c2cccs2)C1 ZINC001267736774 775834801 /nfs/dbraw/zinc/83/48/01/775834801.db2.gz MPRMXSPYNNTABO-CHWSQXEVSA-N 1 1 278.421 2.907 20 30 CFEDMO C=C(C)CC[N@H+](C)CC1CCN(C(=O)[C@@H](F)CC)CC1 ZINC001267739899 775850258 /nfs/dbraw/zinc/85/02/58/775850258.db2.gz MGMKAUMPVLGBNP-HNNXBMFYSA-N 1 1 284.419 2.871 20 30 CFEDMO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001267741476 775855647 /nfs/dbraw/zinc/85/56/47/775855647.db2.gz ZYMAIVBRLYFGEE-HZPDHXFCSA-N 1 1 278.440 2.519 20 30 CFEDMO CC(C)(C)c1ccc(C#N)c(O[C@H]2CCc3[nH+]ccn3C2)n1 ZINC001226549731 775868834 /nfs/dbraw/zinc/86/88/34/775868834.db2.gz JRVHKNAYKGWQCS-ZDUSSCGKSA-N 1 1 296.374 2.841 20 30 CFEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001267748420 775872968 /nfs/dbraw/zinc/87/29/68/775872968.db2.gz ZMLADRAXUVBQAO-ZIAGYGMSSA-N 1 1 252.402 2.579 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)c2cccc(F)c2)C1 ZINC001267749773 775878117 /nfs/dbraw/zinc/87/81/17/775878117.db2.gz SWLPAJSVPQFFSM-CZUORRHYSA-N 1 1 290.382 2.696 20 30 CFEDMO C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2ccccc2)C1 ZINC001267751988 775880228 /nfs/dbraw/zinc/88/02/28/775880228.db2.gz QDHGCFUFMGIDCN-QGZVFWFLSA-N 1 1 286.419 2.776 20 30 CFEDMO C=C[C@@H](C)Oc1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC001226591163 775884918 /nfs/dbraw/zinc/88/49/18/775884918.db2.gz GCNHIFWIPVBAIE-CQSZACIVSA-N 1 1 295.386 2.988 20 30 CFEDMO C=C[C@@H](C)Oc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC001226591163 775884923 /nfs/dbraw/zinc/88/49/23/775884923.db2.gz GCNHIFWIPVBAIE-CQSZACIVSA-N 1 1 295.386 2.988 20 30 CFEDMO C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C#CC(C)(C)C)C1 ZINC001267761218 775889946 /nfs/dbraw/zinc/88/99/46/775889946.db2.gz DINZRWDGGYWAKL-OAHLLOKOSA-N 1 1 276.424 2.535 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(NC(=O)/C=C/C(C)(C)C)CC1 ZINC001226632461 775897040 /nfs/dbraw/zinc/89/70/40/775897040.db2.gz AQZGSSUKFCCNQG-VMPITWQZSA-N 1 1 284.831 2.922 20 30 CFEDMO N#Cc1cccc(OCCC[N@@H+]2CCC[C@H](F)C2)c1 ZINC000689879878 775908313 /nfs/dbraw/zinc/90/83/13/775908313.db2.gz CGUCFPYEBMWSAJ-AWEZNQCLSA-N 1 1 262.328 2.761 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)n2cccc2)C1 ZINC001267776216 775918954 /nfs/dbraw/zinc/91/89/54/775918954.db2.gz HHWSADOLFMZNQQ-CVEARBPZSA-N 1 1 289.423 2.548 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC2CCCCC2)C1 ZINC001267780777 775924332 /nfs/dbraw/zinc/92/43/32/775924332.db2.gz VHCFMVAFRKPYEF-QGZVFWFLSA-N 1 1 290.451 2.903 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC(F)(F)F)C1 ZINC001267785018 775927574 /nfs/dbraw/zinc/92/75/74/775927574.db2.gz MHXLYVPFZBQQIN-GFCCVEGCSA-N 1 1 292.345 2.828 20 30 CFEDMO CC[C@H](C)C[N@H+]1CC[C@H](N(CC)C(=O)C#CC(C)C)C1 ZINC001267785011 775928633 /nfs/dbraw/zinc/92/86/33/775928633.db2.gz SYZUEQMRDIZICS-HOTGVXAUSA-N 1 1 278.440 2.615 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC(C)(C)C=C)C1 ZINC001267787001 775932042 /nfs/dbraw/zinc/93/20/42/775932042.db2.gz SZTRFJKXRSVPDM-CQSZACIVSA-N 1 1 264.413 2.698 20 30 CFEDMO C=CCCCCC[N@H+]1CCc2cc(C(=O)N(C)C)[nH]c2C1 ZINC001277150792 775937894 /nfs/dbraw/zinc/93/78/94/775937894.db2.gz FMUQWZHRUZPXQP-UHFFFAOYSA-N 1 1 289.423 2.821 20 30 CFEDMO C=CCCCCC[N@@H+]1CC[C@]2(CCC[C@@H]2C(N)=O)C1 ZINC001277150639 775939155 /nfs/dbraw/zinc/93/91/55/775939155.db2.gz CZOYDEWRUYWCIU-GDBMZVCRSA-N 1 1 264.413 2.710 20 30 CFEDMO C=C(C)CCC(=O)NC[C@H](CC)[NH2+]Cc1nc(C)c(C)o1 ZINC001267807677 775949643 /nfs/dbraw/zinc/94/96/43/775949643.db2.gz AVQYMFKZUUIZCJ-AWEZNQCLSA-N 1 1 293.411 2.632 20 30 CFEDMO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc(O)c1OC ZINC001141172735 775974284 /nfs/dbraw/zinc/97/42/84/775974284.db2.gz BWHIQYSEKAOIMZ-LBPRGKRZSA-N 1 1 290.363 2.535 20 30 CFEDMO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc(O)c1OC ZINC001141172735 775974289 /nfs/dbraw/zinc/97/42/89/775974289.db2.gz BWHIQYSEKAOIMZ-LBPRGKRZSA-N 1 1 290.363 2.535 20 30 CFEDMO CCCCCCC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)OC)C1 ZINC001267914669 776040892 /nfs/dbraw/zinc/04/08/92/776040892.db2.gz YOMWXRUPYYGXAT-LSDHHAIUSA-N 1 1 284.444 2.572 20 30 CFEDMO Cc1ccc(C(=O)NCC[N@@H+]2CC=C(C)CC2)c(O)c1 ZINC000331242353 776094525 /nfs/dbraw/zinc/09/45/25/776094525.db2.gz QVVSYQARVDHDAJ-UHFFFAOYSA-N 1 1 274.364 2.657 20 30 CFEDMO C[N@H+]1CCC[C@@H](Oc2ccc(Cl)cc2C#N)C1 ZINC001227205572 776138091 /nfs/dbraw/zinc/13/80/91/776138091.db2.gz NOULTNYKMJETCE-GFCCVEGCSA-N 1 1 250.729 2.685 20 30 CFEDMO C[N@H+]1CCC[C@H](Oc2ccc3cc(C#N)c(=O)oc3c2)CC1 ZINC001227380736 776188850 /nfs/dbraw/zinc/18/88/50/776188850.db2.gz YAGDTELCYMTFGM-AWEZNQCLSA-N 1 1 298.342 2.528 20 30 CFEDMO C[N@H+]1CC[C@@H](Oc2ccc(C#C[Si](C)(C)C)cc2)C1 ZINC001227431487 776202243 /nfs/dbraw/zinc/20/22/43/776202243.db2.gz DIPRMIGQHWOJMR-MRXNPFEDSA-N 1 1 273.452 2.998 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC001027272943 776276344 /nfs/dbraw/zinc/27/63/44/776276344.db2.gz RNMIGXWZEDWBRI-INIZCTEOSA-N 1 1 290.382 2.938 20 30 CFEDMO CCCC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC001027271623 776276354 /nfs/dbraw/zinc/27/63/54/776276354.db2.gz RRRIHGJYBLLPEO-QGZVFWFLSA-N 1 1 299.418 2.781 20 30 CFEDMO CCCC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2C#N)C1 ZINC001027271623 776276359 /nfs/dbraw/zinc/27/63/59/776276359.db2.gz RRRIHGJYBLLPEO-QGZVFWFLSA-N 1 1 299.418 2.781 20 30 CFEDMO C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CC2CCCC2)C1 ZINC001027278964 776280797 /nfs/dbraw/zinc/28/07/97/776280797.db2.gz LHQPIKAPTANFQD-OAHLLOKOSA-N 1 1 264.413 2.676 20 30 CFEDMO 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/nfs/dbraw/zinc/13/37/88/779133788.db2.gz PVWXTSOACAJGOG-UHFFFAOYSA-N 1 1 297.358 2.602 20 30 CFEDMO COc1cc(C[N@@H+](C)Cc2ccc(C#N)cc2)cc(OC)n1 ZINC001237559561 779133792 /nfs/dbraw/zinc/13/37/92/779133792.db2.gz PVWXTSOACAJGOG-UHFFFAOYSA-N 1 1 297.358 2.602 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CCC2)CC(C)(C)C1 ZINC001089293206 779138666 /nfs/dbraw/zinc/13/86/66/779138666.db2.gz NNMHTAHDPZLBIU-HNNXBMFYSA-N 1 1 278.440 2.969 20 30 CFEDMO N#Cc1ccc2nc(C[N@H+]3CCC4(CCC4)C3)cn2c1 ZINC001237606475 779140967 /nfs/dbraw/zinc/14/09/67/779140967.db2.gz MLIUNYJMYUOIOD-UHFFFAOYSA-N 1 1 266.348 2.582 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CC2)CC(C)(C)C1 ZINC001089295316 779141624 /nfs/dbraw/zinc/14/16/24/779141624.db2.gz GBCYQDSHTRGUKJ-OAHLLOKOSA-N 1 1 278.440 2.969 20 30 CFEDMO C=C(C)CN1CC[C@@]2(CC[N@@H+](CCC(C)(C)C)C2)C1=O ZINC001272495067 779142041 /nfs/dbraw/zinc/14/20/41/779142041.db2.gz GKPSKRFMICTIQZ-QGZVFWFLSA-N 1 1 278.440 2.923 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccnc(OC(F)F)c2)C1 ZINC001237616944 779144758 /nfs/dbraw/zinc/14/47/58/779144758.db2.gz QAMGWDKYPKQYBQ-LLVKDONJSA-N 1 1 281.306 2.809 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](Cc2ccnc(OC(F)F)c2)C1 ZINC001237616944 779144759 /nfs/dbraw/zinc/14/47/59/779144759.db2.gz QAMGWDKYPKQYBQ-LLVKDONJSA-N 1 1 281.306 2.809 20 30 CFEDMO N#Cc1ccc2nc(C[N@H+]3CCC[C@@H](C(F)F)C3)cn2c1 ZINC001237615692 779144862 /nfs/dbraw/zinc/14/48/62/779144862.db2.gz YSIXSSBLMDYHSP-GFCCVEGCSA-N 1 1 290.317 2.683 20 30 CFEDMO N#Cc1ccc2nc(C[N@@H+]3CCC[C@@H](C(F)F)C3)cn2c1 ZINC001237615692 779144865 /nfs/dbraw/zinc/14/48/65/779144865.db2.gz YSIXSSBLMDYHSP-GFCCVEGCSA-N 1 1 290.317 2.683 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cn3cc(C#N)ccc3n2)C2(CC2)C1 ZINC001237616133 779144904 /nfs/dbraw/zinc/14/49/04/779144904.db2.gz CFXFANCONXAAJT-LBPRGKRZSA-N 1 1 266.348 2.580 20 30 CFEDMO CC#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(C)CCC1 ZINC001099174928 779147618 /nfs/dbraw/zinc/14/76/18/779147618.db2.gz CZXPRFXAXTXDIR-HNNXBMFYSA-N 1 1 290.451 2.807 20 30 CFEDMO COc1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(O)c(OC)c1 ZINC001237676904 779159620 /nfs/dbraw/zinc/15/96/20/779159620.db2.gz SLTBDVWJVSJJEC-GFCCVEGCSA-N 1 1 290.363 2.535 20 30 CFEDMO C=CCN1CC[C@]2(CCC[N@@H+](CC3CCC3)CC2)C1=O ZINC001272515690 779162217 /nfs/dbraw/zinc/16/22/17/779162217.db2.gz SOJDHKRLIVRDIB-QGZVFWFLSA-N 1 1 276.424 2.677 20 30 CFEDMO C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@@H]1CO ZINC001237747589 779172861 /nfs/dbraw/zinc/17/28/61/779172861.db2.gz YEOAHDFPPOBMBH-XHDPSFHLSA-N 1 1 278.783 2.804 20 30 CFEDMO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237752229 779174249 /nfs/dbraw/zinc/17/42/49/779174249.db2.gz TYHNCQRGMYESHA-YGRLFVJLSA-N 1 1 264.756 2.557 20 30 CFEDMO C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237752229 779174252 /nfs/dbraw/zinc/17/42/52/779174252.db2.gz TYHNCQRGMYESHA-YGRLFVJLSA-N 1 1 264.756 2.557 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2nc(C)sc2C)C1 ZINC001046416365 779174654 /nfs/dbraw/zinc/17/46/54/779174654.db2.gz UUGYEZRWUFBJNY-OAHLLOKOSA-N 1 1 293.436 2.530 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c1 ZINC001237752802 779175626 /nfs/dbraw/zinc/17/56/26/779175626.db2.gz ZHFGGCXNPHVQII-OAHLLOKOSA-N 1 1 276.767 2.967 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]3(CCO3)C2)c1 ZINC001237752802 779175630 /nfs/dbraw/zinc/17/56/30/779175630.db2.gz ZHFGGCXNPHVQII-OAHLLOKOSA-N 1 1 276.767 2.967 20 30 CFEDMO CC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237753497 779176000 /nfs/dbraw/zinc/17/60/00/779176000.db2.gz LGZUCNUQCOZBOW-ZDUSSCGKSA-N 1 1 262.740 2.623 20 30 CFEDMO CC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237753497 779176001 /nfs/dbraw/zinc/17/60/01/779176001.db2.gz LGZUCNUQCOZBOW-ZDUSSCGKSA-N 1 1 262.740 2.623 20 30 CFEDMO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C(C)C ZINC001281919356 779203186 /nfs/dbraw/zinc/20/31/86/779203186.db2.gz NLZGTMVKEJDAEO-LSDHHAIUSA-N 1 1 266.429 2.920 20 30 CFEDMO N#C[C@H]1CC[N@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001237901143 779203725 /nfs/dbraw/zinc/20/37/25/779203725.db2.gz AKOJTQIHXBBCQC-CQSZACIVSA-N 1 1 270.376 2.926 20 30 CFEDMO N#C[C@H]1CC[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001237901143 779203728 /nfs/dbraw/zinc/20/37/28/779203728.db2.gz AKOJTQIHXBBCQC-CQSZACIVSA-N 1 1 270.376 2.926 20 30 CFEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C(CC)CC ZINC001281919068 779204286 /nfs/dbraw/zinc/20/42/86/779204286.db2.gz HPBRCLKGBYKLNJ-OAHLLOKOSA-N 1 1 266.429 2.922 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001031062165 779205182 /nfs/dbraw/zinc/20/51/82/779205182.db2.gz HPLYDEGDJAVGRS-SJORKVTESA-N 1 1 284.403 2.557 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2cc(Cl)ccc2C)C1 ZINC001031120675 779231537 /nfs/dbraw/zinc/23/15/37/779231537.db2.gz SABRCTJWXZDSLL-UHFFFAOYSA-N 1 1 278.783 2.639 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCC[C@]3(CCO3)C2)ccc1Cl ZINC001238191129 779274937 /nfs/dbraw/zinc/27/49/37/779274937.db2.gz ISVWCYYVXPCSAR-HNNXBMFYSA-N 1 1 276.767 2.967 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@]3(CCO3)C2)ccc1Cl ZINC001238191129 779274940 /nfs/dbraw/zinc/27/49/40/779274940.db2.gz ISVWCYYVXPCSAR-HNNXBMFYSA-N 1 1 276.767 2.967 20 30 CFEDMO C[N@H+]1C[C@H]2CCCN(Cc3ccc(Cl)c(C#N)c3)[C@H]2C1 ZINC001238191216 779275354 /nfs/dbraw/zinc/27/53/54/779275354.db2.gz KFYWYYPFJWTDGG-CJNGLKHVSA-N 1 1 289.810 2.738 20 30 CFEDMO C[C@@H]1CN(Cc2ccc(Cl)c(C#N)c2)C[C@H](C)[N@@H+]1C ZINC001238190826 779275485 /nfs/dbraw/zinc/27/54/85/779275485.db2.gz FJTNCOBQKZTAQT-TXEJJXNPSA-N 1 1 277.799 2.736 20 30 CFEDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238195029 779276593 /nfs/dbraw/zinc/27/65/93/779276593.db2.gz AVUILJNZMZVZOA-OAHLLOKOSA-N 1 1 292.766 2.597 20 30 CFEDMO C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H](C)CC ZINC001281933746 779289435 /nfs/dbraw/zinc/28/94/35/779289435.db2.gz UMGGJDMHMHQSQC-LSDHHAIUSA-N 1 1 266.429 2.922 20 30 CFEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1(CF)CC1 ZINC001099225705 779291253 /nfs/dbraw/zinc/29/12/53/779291253.db2.gz ZGWNLRJOMMOCPX-CYBMUJFWSA-N 1 1 282.403 2.529 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(OC)ncc2Cl)C1 ZINC001238355489 779296902 /nfs/dbraw/zinc/29/69/02/779296902.db2.gz VTZYIYZBQPZXTR-LLVKDONJSA-N 1 1 264.756 2.589 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(OC)ncc2Cl)C1 ZINC001238355489 779296905 /nfs/dbraw/zinc/29/69/05/779296905.db2.gz VTZYIYZBQPZXTR-LLVKDONJSA-N 1 1 264.756 2.589 20 30 CFEDMO COc1cc(C[N@H+]2CCC[C@@](C)(CO)CC2)ccc1C#N ZINC001238410058 779307521 /nfs/dbraw/zinc/30/75/21/779307521.db2.gz OGWDJOOICWGGOG-QGZVFWFLSA-N 1 1 288.391 2.551 20 30 CFEDMO C=CC[NH+]1CCN(Cc2cccc(OC(C)C)c2F)CC1 ZINC001238428646 779312640 /nfs/dbraw/zinc/31/26/40/779312640.db2.gz ZKLQTBKFWMCDIP-UHFFFAOYSA-N 1 1 292.398 2.917 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2cccc(-c3ccoc3)c2)C1 ZINC001031217439 779326342 /nfs/dbraw/zinc/32/63/42/779326342.db2.gz LMGCRMAPJUZOAB-UHFFFAOYSA-N 1 1 296.370 2.937 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cncc(OC(C)C)c2)C1 ZINC001238471164 779326613 /nfs/dbraw/zinc/32/66/13/779326613.db2.gz LGPPWWNSBDQRBU-AWEZNQCLSA-N 1 1 258.365 2.714 20 30 CFEDMO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2cc(C)ccc2C)C1=O ZINC001272640158 779365677 /nfs/dbraw/zinc/36/56/77/779365677.db2.gz SABHEWCWFYAMDC-IBGZPJMESA-N 1 1 296.414 2.504 20 30 CFEDMO C#CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C)cc2C)C1=O ZINC001272640206 779366499 /nfs/dbraw/zinc/36/64/99/779366499.db2.gz UJRIALSVUARJSC-LJQANCHMSA-N 1 1 296.414 2.504 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CC2)CC(C)(C)C1 ZINC001089354081 779380384 /nfs/dbraw/zinc/38/03/84/779380384.db2.gz GODWUPUYMKYPOW-HOCLYGCPSA-N 1 1 290.451 2.663 20 30 CFEDMO CCc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)ccc1C#N ZINC001238761846 779383930 /nfs/dbraw/zinc/38/39/30/779383930.db2.gz YIBBEBIPWSOZCL-JYJNAYRXSA-N 1 1 258.340 2.910 20 30 CFEDMO CCc1cc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)ccc1C#N ZINC001238761846 779383933 /nfs/dbraw/zinc/38/39/33/779383933.db2.gz YIBBEBIPWSOZCL-JYJNAYRXSA-N 1 1 258.340 2.910 20 30 CFEDMO CCc1cc(C[N@@H+](CC)CCn2ccnc2)ccc1C#N ZINC001238767303 779385225 /nfs/dbraw/zinc/38/52/25/779385225.db2.gz AECVMUMHBYSTQW-UHFFFAOYSA-N 1 1 282.391 2.839 20 30 CFEDMO CCc1cc(C[N@H+]2CC[C@@H](c3nc(C)no3)C2)ccc1C#N ZINC001238769886 779386771 /nfs/dbraw/zinc/38/67/71/779386771.db2.gz WBWSNWCELFQPHQ-MRXNPFEDSA-N 1 1 296.374 2.802 20 30 CFEDMO CCc1cc(C[N@@H+]2CCC[C@H]2C(C)=O)ccc1C#N ZINC001238772407 779388121 /nfs/dbraw/zinc/38/81/21/779388121.db2.gz PGYVNZMHGUROSF-INIZCTEOSA-N 1 1 256.349 2.674 20 30 CFEDMO CCc1cc(C[N@H+]2CCC[C@H]2C(C)=O)ccc1C#N ZINC001238772407 779388123 /nfs/dbraw/zinc/38/81/23/779388123.db2.gz PGYVNZMHGUROSF-INIZCTEOSA-N 1 1 256.349 2.674 20 30 CFEDMO CCc1cc(C[N@@H+](C)CC2(C)COC2)ccc1C#N ZINC001238778220 779390819 /nfs/dbraw/zinc/39/08/19/779390819.db2.gz KUUXIQNZXKMTLC-UHFFFAOYSA-N 1 1 258.365 2.589 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2c(C)nsc2C)C1 ZINC001046859681 779398161 /nfs/dbraw/zinc/39/81/61/779398161.db2.gz XIJFHWPFOVMPRG-OAHLLOKOSA-N 1 1 293.436 2.530 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C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC23CCC3)C1 ZINC001033462503 780688308 /nfs/dbraw/zinc/68/83/08/780688308.db2.gz WNMOEKWSBTZEGB-LSDHHAIUSA-N 1 1 276.424 2.676 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(C)c2)C1 ZINC001033504826 780695839 /nfs/dbraw/zinc/69/58/39/780695839.db2.gz PAHGKSJQNLVFRQ-AWEZNQCLSA-N 1 1 278.421 2.779 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]cc2C2CC2)C1 ZINC001033535615 780711718 /nfs/dbraw/zinc/71/17/18/780711718.db2.gz DCQULJHQTNPONW-CQSZACIVSA-N 1 1 287.407 2.615 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C(C)C)c2)C1 ZINC001033558999 780713457 /nfs/dbraw/zinc/71/34/57/780713457.db2.gz OMAJXNDYFDPHNA-QGZVFWFLSA-N 1 1 284.403 2.590 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001033599004 780722990 /nfs/dbraw/zinc/72/29/90/780722990.db2.gz OMJYYJVDCZVTOS-IXDOHACOSA-N 1 1 284.403 2.509 20 30 CFEDMO C[N@H+]1CCCC[C@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000700812893 780726824 /nfs/dbraw/zinc/72/68/24/780726824.db2.gz KKJOGZHXGZAYDZ-SECBINFHSA-N 1 1 284.816 2.812 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(Cl)cc2)C1 ZINC001033604026 780726927 /nfs/dbraw/zinc/72/69/27/780726927.db2.gz RFIKFJXVAQDCCO-CQSZACIVSA-N 1 1 278.783 2.672 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2c(F)cccc2F)C1 ZINC001033611846 780730732 /nfs/dbraw/zinc/73/07/32/780730732.db2.gz CFKAFTYRXZPPPO-LBPRGKRZSA-N 1 1 294.345 2.687 20 30 CFEDMO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc3ccccc3c2)C1 ZINC001033611160 780731064 /nfs/dbraw/zinc/73/10/64/780731064.db2.gz MCDABTSNQIITAR-GOSISDBHSA-N 1 1 292.382 2.619 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3ccccc3c2)C1 ZINC001033611160 780731070 /nfs/dbraw/zinc/73/10/70/780731070.db2.gz MCDABTSNQIITAR-GOSISDBHSA-N 1 1 292.382 2.619 20 30 CFEDMO COC(=O)c1cc(C#N)cc(-c2c[nH+]c(N(C)C)cc2C)c1 ZINC001241248176 780732467 /nfs/dbraw/zinc/73/24/67/780732467.db2.gz DJJDNHIWYOEQIO-UHFFFAOYSA-N 1 1 295.342 2.781 20 30 CFEDMO Cc1cc(N(C)C)[nH+]cc1-c1ccc2ncc(C#N)n2c1 ZINC001241248358 780732501 /nfs/dbraw/zinc/73/25/01/780732501.db2.gz GRBTWGPBEITUJD-UHFFFAOYSA-N 1 1 277.331 2.642 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3ccccc3)CC2)C1 ZINC001033641012 780739803 /nfs/dbraw/zinc/73/98/03/780739803.db2.gz ZHOASVFFRBFQRP-QGZVFWFLSA-N 1 1 298.430 2.827 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3ccccc3[nH]2)C1 ZINC001033641759 780740586 /nfs/dbraw/zinc/74/05/86/780740586.db2.gz CILOESYCTLPBBV-CQSZACIVSA-N 1 1 283.375 2.500 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C3CC3)cc2)C1 ZINC001033678380 780747697 /nfs/dbraw/zinc/74/76/97/780747697.db2.gz IWZRJFJURUJQNE-SFHVURJKSA-N 1 1 296.414 2.734 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001033688207 780750547 /nfs/dbraw/zinc/75/05/47/780750547.db2.gz IZWDSLDSDDGZLE-QGZVFWFLSA-N 1 1 298.430 2.745 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CCC(C)CC2)C1 ZINC001033695282 780751953 /nfs/dbraw/zinc/75/19/53/780751953.db2.gz AJIMDJLBVMRUOR-CKDBGZEDSA-N 1 1 278.440 2.922 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CF)cc2)C1 ZINC001033695067 780752981 /nfs/dbraw/zinc/75/29/81/780752981.db2.gz WNSYRFPUHXHKDP-INIZCTEOSA-N 1 1 290.382 2.879 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CCC(C)(C)CC2)C1 ZINC001033695190 780753083 /nfs/dbraw/zinc/75/30/83/780753083.db2.gz YUMIRUNMORVBRY-OAHLLOKOSA-N 1 1 278.440 2.922 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001033692134 780754071 /nfs/dbraw/zinc/75/40/71/780754071.db2.gz FTOXGKJGLIQQSC-SFHVURJKSA-N 1 1 296.414 2.734 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccccc2F)C1 ZINC001033732529 780767390 /nfs/dbraw/zinc/76/73/90/780767390.db2.gz KOSZRUOEJONBPK-AWEZNQCLSA-N 1 1 290.382 2.938 20 30 CFEDMO C[N@@H+]1CC=C(c2cc(C(F)(F)F)c(C#N)cn2)CC1 ZINC001241310356 780772648 /nfs/dbraw/zinc/77/26/48/780772648.db2.gz BYZJNEJJOUSKPW-UHFFFAOYSA-N 1 1 267.254 2.691 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC(F)(F)C2)C1 ZINC001033787983 780787757 /nfs/dbraw/zinc/78/77/57/780787757.db2.gz BBTIHPMGGCCITI-CYBMUJFWSA-N 1 1 286.366 2.531 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ncccc2C)C1 ZINC001033798736 780788491 /nfs/dbraw/zinc/78/84/91/780788491.db2.gz LLDPFVUAAKOZPD-OAHLLOKOSA-N 1 1 287.407 2.503 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC2(F)F)C1 ZINC001033826763 780798130 /nfs/dbraw/zinc/79/81/30/780798130.db2.gz QSTVVRYXGOQPNM-CHWSQXEVSA-N 1 1 286.366 2.531 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033874376 780815703 /nfs/dbraw/zinc/81/57/03/780815703.db2.gz XHJCNPYZFZHSDU-HZPDHXFCSA-N 1 1 288.435 2.513 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC23CC3)C1 ZINC001033874512 780816258 /nfs/dbraw/zinc/81/62/58/780816258.db2.gz ZXEYZCCHSBQHQL-CVEARBPZSA-N 1 1 288.435 2.513 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033926470 780824293 /nfs/dbraw/zinc/82/42/93/780824293.db2.gz CUUUTYIXOMCEFA-HZPDHXFCSA-N 1 1 290.451 2.759 20 30 CFEDMO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+](CC(=C)C)C2)cc1 ZINC001033924370 780825356 /nfs/dbraw/zinc/82/53/56/780825356.db2.gz WVCXMSSLXNXZDG-SFHVURJKSA-N 1 1 296.414 2.780 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)cc(F)c2)C1 ZINC001033968362 780840610 /nfs/dbraw/zinc/84/06/10/780840610.db2.gz OXDQYVWGUCABTK-MRXNPFEDSA-N 1 1 290.382 2.857 20 30 CFEDMO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@H+](CCF)C2)CC1 ZINC001033945915 780842322 /nfs/dbraw/zinc/84/23/22/780842322.db2.gz RHZXTRVCLKZDKC-HNNXBMFYSA-N 1 1 282.403 2.625 20 30 CFEDMO C=C1CCC(C(=O)N(CC)[C@H]2CC[N@@H+](CCF)C2)CC1 ZINC001033945915 780842325 /nfs/dbraw/zinc/84/23/25/780842325.db2.gz RHZXTRVCLKZDKC-HNNXBMFYSA-N 1 1 282.403 2.625 20 30 CFEDMO COc1cc(C#N)ccc1-c1cc(-n2cc[nH+]c2C)ncn1 ZINC001241393010 780846462 /nfs/dbraw/zinc/84/64/62/780846462.db2.gz AYOOSKCFDBADJV-UHFFFAOYSA-N 1 1 291.314 2.518 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C(F)F)o2)C1 ZINC001034030394 780860496 /nfs/dbraw/zinc/86/04/96/780860496.db2.gz AOTBMLNRAXILSF-LLVKDONJSA-N 1 1 298.333 2.940 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(CC)cc2)C1 ZINC001034037496 780862196 /nfs/dbraw/zinc/86/21/96/780862196.db2.gz XWVQVLYNJAMOLY-GOSISDBHSA-N 1 1 298.430 2.809 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2ccco2)C1 ZINC001034074651 780878840 /nfs/dbraw/zinc/87/88/40/780878840.db2.gz XKFJBASXUIVJHU-AWEZNQCLSA-N 1 1 276.380 2.830 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)Cc2cccs2)C1 ZINC001034079615 780879876 /nfs/dbraw/zinc/87/98/76/780879876.db2.gz YATKCNYWRQMLSB-AWEZNQCLSA-N 1 1 292.448 2.837 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2ccccn2)C1 ZINC001034081092 780880519 /nfs/dbraw/zinc/88/05/19/780880519.db2.gz OAMXGVOIXFKIOB-HNNXBMFYSA-N 1 1 287.407 2.632 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2cccnc2)C1 ZINC001034081560 780880787 /nfs/dbraw/zinc/88/07/87/780880787.db2.gz SPVLZXJNXADJRF-MRXNPFEDSA-N 1 1 287.407 2.632 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001034073077 780881887 /nfs/dbraw/zinc/88/18/87/780881887.db2.gz CRQOTVCBXXLBMD-CQSZACIVSA-N 1 1 290.382 2.986 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cccs2)C1 ZINC001034084823 780882045 /nfs/dbraw/zinc/88/20/45/780882045.db2.gz LDNQTIOGMSBCED-GFCCVEGCSA-N 1 1 264.394 2.518 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001034086756 780883881 /nfs/dbraw/zinc/88/38/81/780883881.db2.gz LPSBFOIRTLKARR-INIZCTEOSA-N 1 1 290.382 2.986 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001034090474 780885443 /nfs/dbraw/zinc/88/54/43/780885443.db2.gz JCQOPLHLSDEBQP-QGZVFWFLSA-N 1 1 284.403 2.603 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034093018 780888832 /nfs/dbraw/zinc/88/88/32/780888832.db2.gz AHJUKJBPVADLGQ-HZPDHXFCSA-N 1 1 276.424 2.890 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2cc(C)no2)C1 ZINC001034098268 780890128 /nfs/dbraw/zinc/89/01/28/780890128.db2.gz GUKWSNAWXDFFDN-AWEZNQCLSA-N 1 1 291.395 2.534 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C)n2)C1 ZINC001034108646 780896177 /nfs/dbraw/zinc/89/61/77/780896177.db2.gz FYXQMDVZNYSHGM-HNNXBMFYSA-N 1 1 287.407 2.550 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001034129784 780902275 /nfs/dbraw/zinc/90/22/75/780902275.db2.gz DKCOEKGRXSYRRQ-KRWDZBQOSA-N 1 1 290.451 2.951 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)CC2=CCCCC2)C1 ZINC001034134052 780904063 /nfs/dbraw/zinc/90/40/63/780904063.db2.gz XSCOTHUNNLNSFY-QGZVFWFLSA-N 1 1 288.435 2.871 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cnccc2C)C1 ZINC001034144901 780906375 /nfs/dbraw/zinc/90/63/75/780906375.db2.gz FXNWZRMYUBFTFH-HNNXBMFYSA-N 1 1 287.407 2.550 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)c2cc[nH]c2CC)C1 ZINC001034191132 780918905 /nfs/dbraw/zinc/91/89/05/780918905.db2.gz WBYKIAZIIINIPS-AWEZNQCLSA-N 1 1 289.423 2.738 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccoc2Cl)C1 ZINC001034182216 780919989 /nfs/dbraw/zinc/91/99/89/780919989.db2.gz ZJSPIVNNVMQBJM-NSHDSACASA-N 1 1 282.771 2.703 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2sccc2F)C1 ZINC001034200512 780921291 /nfs/dbraw/zinc/92/12/91/780921291.db2.gz DUFJEXGCBDBXRB-NSHDSACASA-N 1 1 282.384 2.658 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001034222489 780927483 /nfs/dbraw/zinc/92/74/83/780927483.db2.gz FMEBQXYPUSCLDB-DLBZAZTESA-N 1 1 288.435 2.727 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001034236895 780930614 /nfs/dbraw/zinc/93/06/14/780930614.db2.gz OPPQLQGBVBJJPW-QWHCGFSZSA-N 1 1 286.366 2.579 20 30 CFEDMO C=CC(C)(C)C(=O)NC[C@@]1(C)C[N@@H+](CCCCC)CCO1 ZINC001108122577 780933327 /nfs/dbraw/zinc/93/33/27/780933327.db2.gz UWHDIJYQQAAWBS-KRWDZBQOSA-N 1 1 296.455 2.596 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001034266475 780935580 /nfs/dbraw/zinc/93/55/80/780935580.db2.gz OKFNQKQDJDARHP-IRXDYDNUSA-N 1 1 288.435 2.727 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2nc(C)sc2C)C1 ZINC001034269318 780937082 /nfs/dbraw/zinc/93/70/82/780937082.db2.gz RJMZJOHXRKVEOO-ZDUSSCGKSA-N 1 1 293.436 2.530 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2c[nH]c3ccccc23)C1 ZINC001034293270 780940432 /nfs/dbraw/zinc/94/04/32/780940432.db2.gz MUNSERMGSHCTRY-AWEZNQCLSA-N 1 1 297.402 2.938 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001034313662 780943582 /nfs/dbraw/zinc/94/35/82/780943582.db2.gz FBQDEIYPZSBECC-AWEZNQCLSA-N 1 1 293.386 2.704 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cc3ncccc3o2)C1 ZINC001034315124 780944446 /nfs/dbraw/zinc/94/44/46/780944446.db2.gz JOLRLNKTAHFJAP-CYBMUJFWSA-N 1 1 299.374 2.598 20 30 CFEDMO Cc1nc(C#N)cnc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241502362 780947252 /nfs/dbraw/zinc/94/72/52/780947252.db2.gz HGOXGRLAQOSDNP-UHFFFAOYSA-N 1 1 290.370 2.946 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034353178 780949289 /nfs/dbraw/zinc/94/92/89/780949289.db2.gz VHQYQMGOLSBCHL-ZIAGYGMSSA-N 1 1 264.413 2.579 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC2(C)C)C1 ZINC001034356708 780950280 /nfs/dbraw/zinc/95/02/80/780950280.db2.gz ZJVXOFVTLFJQQW-JKSUJKDBSA-N 1 1 290.451 2.807 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C)co2)C1 ZINC001034356971 780950711 /nfs/dbraw/zinc/95/07/11/780950711.db2.gz UNAPRKZLSYSJFD-AWEZNQCLSA-N 1 1 276.380 2.748 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034356705 780951034 /nfs/dbraw/zinc/95/10/34/780951034.db2.gz ZJVXOFVTLFJQQW-HOTGVXAUSA-N 1 1 290.451 2.807 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)Cc2cccc(C)c2)C1 ZINC001034374701 780956424 /nfs/dbraw/zinc/95/64/24/780956424.db2.gz DOVVMSMFOBUZRU-GOSISDBHSA-N 1 1 298.430 2.532 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2Cc3ccccc32)C1 ZINC001034374308 780957043 /nfs/dbraw/zinc/95/70/43/780957043.db2.gz ZAWSZILACLUTHL-AEFFLSMTSA-N 1 1 298.430 2.873 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2occc2CC)C1 ZINC001034386848 780962584 /nfs/dbraw/zinc/96/25/84/780962584.db2.gz GNTAHVSCMDKPHD-CQSZACIVSA-N 1 1 276.380 2.612 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001034385984 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CFEDMO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CCc3ccccc32)C1 ZINC001080643618 781672332 /nfs/dbraw/zinc/67/23/32/781672332.db2.gz GBXROXQGXAQUQC-QGPMSJSTSA-N 1 1 298.430 2.729 20 30 CFEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C(C)C)oc2C)C1 ZINC001080698940 781674561 /nfs/dbraw/zinc/67/45/61/781674561.db2.gz OUKVZDMWYKJHAC-IUODEOHRSA-N 1 1 290.407 2.948 20 30 CFEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001080777758 781676002 /nfs/dbraw/zinc/67/60/02/781676002.db2.gz FDXCYUNKCXQXLD-MRVWCRGKSA-N 1 1 292.448 2.783 20 30 CFEDMO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccoc2CCC)C1 ZINC001080776615 781676124 /nfs/dbraw/zinc/67/61/24/781676124.db2.gz LUUHOTTYWQGUIY-UKRRQHHQSA-N 1 1 290.407 2.858 20 30 CFEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncsc2C(C)C)C1 ZINC001080762733 781677582 /nfs/dbraw/zinc/67/75/82/781677582.db2.gz KBLLTIDIBHYFEM-VXGBXAGGSA-N 1 1 293.436 2.503 20 30 CFEDMO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001080754466 781677602 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CFEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C=C(C)C ZINC001098881302 781736108 /nfs/dbraw/zinc/73/61/08/781736108.db2.gz YDBIYHLVFDBPIY-HNNXBMFYSA-N 1 1 276.424 2.583 20 30 CFEDMO C[N@H+]1CCC[C@H](CCNc2cc(C#N)c(Cl)cn2)C1 ZINC001165254537 781746194 /nfs/dbraw/zinc/74/61/94/781746194.db2.gz YJBGPQPPNXTOFR-LLVKDONJSA-N 1 1 278.787 2.750 20 30 CFEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CSC ZINC001098887808 781748475 /nfs/dbraw/zinc/74/84/75/781748475.db2.gz HVRIAOAFYJIQRV-CYBMUJFWSA-N 1 1 284.469 2.532 20 30 CFEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CSC ZINC001098887810 781749347 /nfs/dbraw/zinc/74/93/47/781749347.db2.gz HVRIAOAFYJIQRV-ZDUSSCGKSA-N 1 1 284.469 2.532 20 30 CFEDMO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CSC ZINC001098890103 781751398 /nfs/dbraw/zinc/75/13/98/781751398.db2.gz XDXCPDPLBRLRNU-CQSZACIVSA-N 1 1 298.496 2.922 20 30 CFEDMO C#CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)CC1CC1 ZINC001119252750 781752460 /nfs/dbraw/zinc/75/24/60/781752460.db2.gz OIXRYWWBMLZFNC-IBGZPJMESA-N 1 1 294.398 2.772 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3cccc(C)c3)[C@@H]2C1 ZINC001084167935 781766559 /nfs/dbraw/zinc/76/65/59/781766559.db2.gz IDTBMEPJPMEDOA-IAGOWNOFSA-N 1 1 284.403 2.717 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C[C@H]3C=CCC3)[C@@H]2C1 ZINC001084178650 781776676 /nfs/dbraw/zinc/77/66/76/781776676.db2.gz SODSJVDIYAWAIF-GVDBMIGSSA-N 1 1 288.435 2.842 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cnccc3C)[C@@H]2C1 ZINC001084252784 781782474 /nfs/dbraw/zinc/78/24/74/781782474.db2.gz KIJZRVNLIAYWJO-NVXWUHKLSA-N 1 1 299.418 2.503 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3(C)CCCC3)[C@@H]2C1 ZINC001084555698 781801832 /nfs/dbraw/zinc/80/18/32/781801832.db2.gz PCEYVDZHFPFRSU-HUUCEWRRSA-N 1 1 276.424 2.676 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C3CCC(=C)CC3)[C@@H]2C1 ZINC001084631409 781810338 /nfs/dbraw/zinc/81/03/38/781810338.db2.gz QZUVLHJVFIWMQX-IAGOWNOFSA-N 1 1 288.435 2.842 20 30 CFEDMO C=C1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC4CC4)C[C@H]32)CC1 ZINC001084634234 781813582 /nfs/dbraw/zinc/81/35/82/781813582.db2.gz HQKWBKHAGBBCOH-IAGOWNOFSA-N 1 1 288.435 2.676 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3occc3Cl)[C@@H]2C1 ZINC001084638290 781814910 /nfs/dbraw/zinc/81/49/10/781814910.db2.gz YKDSCURTWYAKQP-DGCLKSJQSA-N 1 1 294.782 2.655 20 30 CFEDMO C=C1CC(C)(C(=O)N2C[C@H]3CC[N@H+](CC[C@H](C)F)C[C@H]32)C1 ZINC001084645780 781817776 /nfs/dbraw/zinc/81/77/76/781817776.db2.gz DQVKOCPGCLFLRZ-RRFJBIMHSA-N 1 1 294.414 2.624 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3c(C)cccc3C)[C@@H]2C1 ZINC001084679848 781819103 /nfs/dbraw/zinc/81/91/03/781819103.db2.gz MMSCGXNPKCAFIT-HZPDHXFCSA-N 1 1 284.403 2.636 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC3)[C@@H]2C1 ZINC001084713679 781825520 /nfs/dbraw/zinc/82/55/20/781825520.db2.gz QTRPERWCRZMNRF-YYIAUSFCSA-N 1 1 288.435 2.531 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CCc3ccccc3)[C@@H]2C1 ZINC001084792519 781836696 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CFEDMO C=C(C)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC3(C)C)C[C@@H]21 ZINC001085010005 781881273 /nfs/dbraw/zinc/88/12/73/781881273.db2.gz IYZHLIIRGXOBSU-OAGGEKHMSA-N 1 1 290.451 2.922 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCc2ccsc2[C@@H]1C ZINC000712277780 781887959 /nfs/dbraw/zinc/88/79/59/781887959.db2.gz NPINRVJMNQQQSN-QWRGUYRKSA-N 1 1 250.367 2.596 20 30 CFEDMO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCCOC ZINC001231124009 781910921 /nfs/dbraw/zinc/91/09/21/781910921.db2.gz YYHMBKURJQAJCN-HZPDHXFCSA-N 1 1 296.455 2.691 20 30 CFEDMO CN(C)C1CC([NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594507305 349434111 /nfs/dbraw/zinc/43/41/11/349434111.db2.gz CTKWRHVQTFBLEM-UHFFFAOYSA-N 1 1 271.408 2.670 20 30 CFEDMO N#Cc1cnc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(F)c1 ZINC000594604368 349459921 /nfs/dbraw/zinc/45/99/21/349459921.db2.gz YRJZQAWGVRJAHT-ZIAGYGMSSA-N 1 1 274.343 2.521 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2ccnn2CC2CC2)c(F)c1 ZINC000594920989 349508755 /nfs/dbraw/zinc/50/87/55/349508755.db2.gz OIVIBZCBVAMLPB-UHFFFAOYSA-N 1 1 284.338 2.594 20 30 CFEDMO N#CC1(c2ccc(CN[C@@H]3CC[N@H+]4CCCC[C@@H]34)cc2)CC1 ZINC000594924515 349511176 /nfs/dbraw/zinc/51/11/76/349511176.db2.gz JIHKZQSGXJHDBZ-MSOLQXFVSA-N 1 1 295.430 2.958 20 30 CFEDMO N#CC1(c2ccc(C[NH2+][C@@H]3CCN4CCCC[C@@H]34)cc2)CC1 ZINC000594924515 349511181 /nfs/dbraw/zinc/51/11/81/349511181.db2.gz JIHKZQSGXJHDBZ-MSOLQXFVSA-N 1 1 295.430 2.958 20 30 CFEDMO CC(C)(CCC#N)C[NH2+]Cc1ccnn1-c1ccncc1 ZINC000594953371 349526351 /nfs/dbraw/zinc/52/63/51/349526351.db2.gz IGHBKPREPOFGSR-UHFFFAOYSA-N 1 1 283.379 2.687 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2cnc(C(F)(F)F)nc2)s1 ZINC000594951979 349526463 /nfs/dbraw/zinc/52/64/63/349526463.db2.gz OOYKUECFNOHVJV-UHFFFAOYSA-N 1 1 298.293 2.718 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000594956339 349527888 /nfs/dbraw/zinc/52/78/88/349527888.db2.gz JWYFEPSOISUDPV-AWEZNQCLSA-N 1 1 275.371 2.660 20 30 CFEDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000594956339 349527892 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ZINC000595059194 349570587 /nfs/dbraw/zinc/57/05/87/349570587.db2.gz MJJZXEYXBFEYFK-KFWWJZLASA-N 1 1 268.470 2.758 20 30 CFEDMO C=CCC[NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000595061070 349571366 /nfs/dbraw/zinc/57/13/66/349571366.db2.gz YARJRUWOWUQSBI-AWEZNQCLSA-N 1 1 286.335 2.583 20 30 CFEDMO C[N@H+]1CC[C@H](NCC2(C#N)CCCCC2)[C@H]2CCC[C@@H]21 ZINC000595091255 349578223 /nfs/dbraw/zinc/57/82/23/349578223.db2.gz OTFJYUAAGFQHRM-PMPSAXMXSA-N 1 1 275.440 2.923 20 30 CFEDMO CCC[N@@H+]1CC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000595097192 349581474 /nfs/dbraw/zinc/58/14/74/349581474.db2.gz RWXCCUOIMRIOMM-NVXWUHKLSA-N 1 1 269.392 2.619 20 30 CFEDMO CCC[N@H+]1CC[C@@H](N[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000595097192 349581477 /nfs/dbraw/zinc/58/14/77/349581477.db2.gz RWXCCUOIMRIOMM-NVXWUHKLSA-N 1 1 269.392 2.619 20 30 CFEDMO CC[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000595318221 349601293 /nfs/dbraw/zinc/60/12/93/349601293.db2.gz SLVODTBERLGRRS-XJKSGUPXSA-N 1 1 258.365 2.600 20 30 CFEDMO CCOC[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595324186 349601927 /nfs/dbraw/zinc/60/19/27/349601927.db2.gz RMIOGCXLHKXUKP-QGZVFWFLSA-N 1 1 272.392 2.849 20 30 CFEDMO CO[C@@H](C[N@@H+](CCC#N)CC1CC1)C1CCCC1 ZINC000595332551 349603512 /nfs/dbraw/zinc/60/35/12/349603512.db2.gz KHYQTSBPLJGVOV-HNNXBMFYSA-N 1 1 250.386 2.817 20 30 CFEDMO Cc1cc(C[N@H+](C)Cc2cccc(C#N)c2)nc(C)n1 ZINC000595291511 349592525 /nfs/dbraw/zinc/59/25/25/349592525.db2.gz ZQULTOYRTHANDV-UHFFFAOYSA-N 1 1 266.348 2.597 20 30 CFEDMO Cc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)nc(C)n1 ZINC000595291511 349592528 /nfs/dbraw/zinc/59/25/28/349592528.db2.gz ZQULTOYRTHANDV-UHFFFAOYSA-N 1 1 266.348 2.597 20 30 CFEDMO CO[C@H](C[N@@H+](C)Cc1cccc(C#N)c1)C1CCC1 ZINC000595290986 349592705 /nfs/dbraw/zinc/59/27/05/349592705.db2.gz VNCFZUMWWZRTFA-MRXNPFEDSA-N 1 1 258.365 2.805 20 30 CFEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595297699 349596017 /nfs/dbraw/zinc/59/60/17/349596017.db2.gz JLSVQZIOSIVEEB-CABCVRRESA-N 1 1 293.455 2.753 20 30 CFEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595297700 349596070 /nfs/dbraw/zinc/59/60/70/349596070.db2.gz JLSVQZIOSIVEEB-GJZGRUSLSA-N 1 1 293.455 2.753 20 30 CFEDMO C[C@H](CC#N)[N@H+](C)CCc1ccc2c(c1)OC(F)(F)O2 ZINC000595346608 349607690 /nfs/dbraw/zinc/60/76/90/349607690.db2.gz ZFQBLTZRVBRUGN-SNVBAGLBSA-N 1 1 282.290 2.785 20 30 CFEDMO C[C@H](CC#N)[N@@H+](C)CCc1ccc2c(c1)OC(F)(F)O2 ZINC000595346608 349607694 /nfs/dbraw/zinc/60/76/94/349607694.db2.gz ZFQBLTZRVBRUGN-SNVBAGLBSA-N 1 1 282.290 2.785 20 30 CFEDMO C[C@@H]1CC[N@@H+](CCc2ccc(C#N)cc2)C[C@@H]1n1ccnc1 ZINC000595385915 349613422 /nfs/dbraw/zinc/61/34/22/349613422.db2.gz AVQFWURWGGYRIQ-QAPCUYQASA-N 1 1 294.402 2.880 20 30 CFEDMO CCN1CC[C@H]([N@H+](C)CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595375850 349612079 /nfs/dbraw/zinc/61/20/79/349612079.db2.gz FAKHJLLJVFLCDR-YJBOKZPZSA-N 1 1 285.435 2.763 20 30 CFEDMO CCN1CC[C@H]([N@@H+](C)CCc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000595375850 349612081 /nfs/dbraw/zinc/61/20/81/349612081.db2.gz FAKHJLLJVFLCDR-YJBOKZPZSA-N 1 1 285.435 2.763 20 30 CFEDMO CO[C@H](C[N@H+](C[C@H](C)C#N)C1CC1)C1CCCC1 ZINC000595388198 349614464 /nfs/dbraw/zinc/61/44/64/349614464.db2.gz HMMHGLNVURPSDJ-IUODEOHRSA-N 1 1 250.386 2.816 20 30 CFEDMO CO[C@H](C[N@@H+](C[C@H](C)C#N)C1CC1)C1CCCC1 ZINC000595388198 349614466 /nfs/dbraw/zinc/61/44/66/349614466.db2.gz HMMHGLNVURPSDJ-IUODEOHRSA-N 1 1 250.386 2.816 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000595423278 349620485 /nfs/dbraw/zinc/62/04/85/349620485.db2.gz LCAPYJPAOOSIII-GOSISDBHSA-N 1 1 284.403 2.992 20 30 CFEDMO C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595482128 349639100 /nfs/dbraw/zinc/63/91/00/349639100.db2.gz ICJXNAJROYGXCW-MAUKXSAKSA-N 1 1 283.419 2.659 20 30 CFEDMO C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595482128 349639103 /nfs/dbraw/zinc/63/91/03/349639103.db2.gz ICJXNAJROYGXCW-MAUKXSAKSA-N 1 1 283.419 2.659 20 30 CFEDMO N#Cc1ccc(Nc2cccc(C[NH+]3CCOCC3)c2)nc1 ZINC000068938039 346877807 /nfs/dbraw/zinc/87/78/07/346877807.db2.gz NHTUEXQWXWYGED-UHFFFAOYSA-N 1 1 294.358 2.529 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000595517640 349649036 /nfs/dbraw/zinc/64/90/36/349649036.db2.gz OFWUOXDXGCQCKH-INIZCTEOSA-N 1 1 272.417 2.928 20 30 CFEDMO CO[C@@H]1C[C@@H]([N@@H+](C)CCc2ccc(C#N)cc2)C12CCC2 ZINC000595520702 349650287 /nfs/dbraw/zinc/65/02/87/349650287.db2.gz SMJQLMGRIYLZEP-IAGOWNOFSA-N 1 1 284.403 2.990 20 30 CFEDMO C[N@@H+](CCc1ccc(C#N)cc1)[C@H](CO)CC(C)(C)C ZINC000595520848 349650382 /nfs/dbraw/zinc/65/03/82/349650382.db2.gz OIOWIBAIQYNYRK-INIZCTEOSA-N 1 1 274.408 2.830 20 30 CFEDMO N#CCSCCC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000595500399 349643551 /nfs/dbraw/zinc/64/35/51/349643551.db2.gz IZRVEUVCKVEWBN-AWEZNQCLSA-N 1 1 275.421 2.908 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000595504663 349644167 /nfs/dbraw/zinc/64/41/67/349644167.db2.gz GEUXAVROFGPGRL-GOSISDBHSA-N 1 1 284.403 2.992 20 30 CFEDMO C[N@@H+](CCc1ccc(C#N)cc1)C[C@@H](O)Cc1ccccc1 ZINC000595503889 349644290 /nfs/dbraw/zinc/64/42/90/349644290.db2.gz YANKAPPQRMVZLN-IBGZPJMESA-N 1 1 294.398 2.636 20 30 CFEDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1cc(C#N)ccc1F)C2 ZINC000595508213 349645531 /nfs/dbraw/zinc/64/55/31/349645531.db2.gz VSYMQWCVYLLBRE-KRWDZBQOSA-N 1 1 287.382 2.615 20 30 CFEDMO CC1(C)C[C@H]([N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)CO1 ZINC000595510655 349647020 /nfs/dbraw/zinc/64/70/20/349647020.db2.gz MIZQQTSJEYGMGN-PMPSAXMXSA-N 1 1 270.376 2.793 20 30 CFEDMO CC1(C)C[C@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)CO1 ZINC000595510655 349647023 /nfs/dbraw/zinc/64/70/23/349647023.db2.gz MIZQQTSJEYGMGN-PMPSAXMXSA-N 1 1 270.376 2.793 20 30 CFEDMO CC1(C)CCCC[C@@H]1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000595560359 349659603 /nfs/dbraw/zinc/65/96/03/349659603.db2.gz WYVVKJWSUOFKIK-UKRRQHHQSA-N 1 1 250.386 2.553 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000595524968 349651174 /nfs/dbraw/zinc/65/11/74/349651174.db2.gz CAYDWFQIAZHMGA-QGZVFWFLSA-N 1 1 270.376 2.603 20 30 CFEDMO CO[C@H](C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)[C@H]1CCOC1 ZINC000595551164 349657290 /nfs/dbraw/zinc/65/72/90/349657290.db2.gz VUDMDPZVEAYTEF-XOKHGSTOSA-N 1 1 288.391 2.603 20 30 CFEDMO CC[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)C[C@H](CC)O1 ZINC000595548933 349657332 /nfs/dbraw/zinc/65/73/32/349657332.db2.gz BGWQLZQHQZORDW-CALCHBBNSA-N 1 1 272.392 2.990 20 30 CFEDMO Cc1cc(C[N@H+](C)[C@@H](CO)Cc2ccccc2)ccc1C#N ZINC000595592777 349668228 /nfs/dbraw/zinc/66/82/28/349668228.db2.gz PXAPFBFQKNXCHJ-LJQANCHMSA-N 1 1 294.398 2.902 20 30 CFEDMO CC[N@@H+](CCCCC#N)[C@H](C)C(=O)OC(C)(C)C ZINC000595597303 349669921 /nfs/dbraw/zinc/66/99/21/349669921.db2.gz XJTQNOFMNKMJAS-GFCCVEGCSA-N 1 1 254.374 2.732 20 30 CFEDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1sccc1C#N ZINC000595592037 349667082 /nfs/dbraw/zinc/66/70/82/349667082.db2.gz AMVPEUNUPNRLBX-SNVBAGLBSA-N 1 1 265.382 2.679 20 30 CFEDMO C[N@@H+](Cc1cccc(C#N)c1F)[C@H](CO)Cc1ccccc1 ZINC000595593911 349667911 /nfs/dbraw/zinc/66/79/11/349667911.db2.gz ZOAAKRAXKOWYKT-KRWDZBQOSA-N 1 1 298.361 2.733 20 30 CFEDMO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595609914 349674842 /nfs/dbraw/zinc/67/48/42/349674842.db2.gz QHOUIVLMFXMHAD-CABCVRRESA-N 1 1 285.391 2.664 20 30 CFEDMO C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595609914 349674844 /nfs/dbraw/zinc/67/48/44/349674844.db2.gz QHOUIVLMFXMHAD-CABCVRRESA-N 1 1 285.391 2.664 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000595613745 349676003 /nfs/dbraw/zinc/67/60/03/349676003.db2.gz GVUIRJNCVRXYOZ-NVXWUHKLSA-N 1 1 297.402 2.808 20 30 CFEDMO N#CC[C@H]1CCC[N@H+]([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000595613745 349676005 /nfs/dbraw/zinc/67/60/05/349676005.db2.gz GVUIRJNCVRXYOZ-NVXWUHKLSA-N 1 1 297.402 2.808 20 30 CFEDMO COC(=O)c1ccccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595621747 349679203 /nfs/dbraw/zinc/67/92/03/349679203.db2.gz YFJCFICXXKUGNQ-CYBMUJFWSA-N 1 1 272.348 2.599 20 30 CFEDMO COC(=O)c1ccccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595621747 349679207 /nfs/dbraw/zinc/67/92/07/349679207.db2.gz YFJCFICXXKUGNQ-CYBMUJFWSA-N 1 1 272.348 2.599 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000595614268 349677100 /nfs/dbraw/zinc/67/71/00/349677100.db2.gz JNZOHJHEEVFKEJ-AWEZNQCLSA-N 1 1 296.374 2.905 20 30 CFEDMO CO[C@@H](C[N@H+]1CCC[C@@H](CC#N)C1)C1CCCC1 ZINC000595613922 349677137 /nfs/dbraw/zinc/67/71/37/349677137.db2.gz BQPQWZRLHNDASO-ZFWWWQNUSA-N 1 1 250.386 2.817 20 30 CFEDMO CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616747 349677645 /nfs/dbraw/zinc/67/76/45/349677645.db2.gz XDHLUVBTOVNNOO-LSDHHAIUSA-N 1 1 279.428 2.505 20 30 CFEDMO CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616747 349677649 /nfs/dbraw/zinc/67/76/49/349677649.db2.gz XDHLUVBTOVNNOO-LSDHHAIUSA-N 1 1 279.428 2.505 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000595614438 349677737 /nfs/dbraw/zinc/67/77/37/349677737.db2.gz HZBKVXYXTLEJLT-HNNXBMFYSA-N 1 1 280.375 2.998 20 30 CFEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1C)[C@H](C)COC ZINC000595639688 349685572 /nfs/dbraw/zinc/68/55/72/349685572.db2.gz WJAVOUIAOHCJTE-CQSZACIVSA-N 1 1 258.365 2.890 20 30 CFEDMO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)COC ZINC000595638680 349685880 /nfs/dbraw/zinc/68/58/80/349685880.db2.gz KVTSPTVUBLVHIB-GFCCVEGCSA-N 1 1 294.351 2.626 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000595621098 349679415 /nfs/dbraw/zinc/67/94/15/349679415.db2.gz TUVJJYBVAFNRGB-IAGOWNOFSA-N 1 1 272.392 2.606 20 30 CFEDMO N#CC[C@H]1CCCN(CCC[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620741 349679674 /nfs/dbraw/zinc/67/96/74/349679674.db2.gz PQOIFUHPINLCTN-CALCHBBNSA-N 1 1 288.439 2.628 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](CCCN2CCC[C@@H](CC#N)C2)C1 ZINC000595620741 349679677 /nfs/dbraw/zinc/67/96/77/349679677.db2.gz PQOIFUHPINLCTN-CALCHBBNSA-N 1 1 288.439 2.628 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](CCCN2CCC[C@@H](CC#N)C2)C1 ZINC000595620741 349679679 /nfs/dbraw/zinc/67/96/79/349679679.db2.gz PQOIFUHPINLCTN-CALCHBBNSA-N 1 1 288.439 2.628 20 30 CFEDMO N#CC[C@@H]1CCCN(CCC[N@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595620743 349679763 /nfs/dbraw/zinc/67/97/63/349679763.db2.gz PQOIFUHPINLCTN-IRXDYDNUSA-N 1 1 288.439 2.628 20 30 CFEDMO N#CC[C@H]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000595623211 349680627 /nfs/dbraw/zinc/68/06/27/349680627.db2.gz JXCIRQVWLDOKBS-MSOLQXFVSA-N 1 1 283.419 2.887 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+]([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000595623211 349680629 /nfs/dbraw/zinc/68/06/29/349680629.db2.gz JXCIRQVWLDOKBS-MSOLQXFVSA-N 1 1 283.419 2.887 20 30 CFEDMO N#CC[C@H]1CCC[N@H+]([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000595623211 349680632 /nfs/dbraw/zinc/68/06/32/349680632.db2.gz JXCIRQVWLDOKBS-MSOLQXFVSA-N 1 1 283.419 2.887 20 30 CFEDMO COC(=O)C[N@H+](CCC(C)(C)C#N)C1CCCCC1 ZINC000595667663 349694351 /nfs/dbraw/zinc/69/43/51/349694351.db2.gz HUEGDBUPSPPRNR-UHFFFAOYSA-N 1 1 266.385 2.734 20 30 CFEDMO COC(=O)C[N@@H+](CCC(C)(C)C#N)C1CCCCC1 ZINC000595667663 349694354 /nfs/dbraw/zinc/69/43/54/349694354.db2.gz HUEGDBUPSPPRNR-UHFFFAOYSA-N 1 1 266.385 2.734 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000595679489 349698458 /nfs/dbraw/zinc/69/84/58/349698458.db2.gz WNGIVQAOOLIZSE-CJNGLKHVSA-N 1 1 288.391 2.550 20 30 CFEDMO C[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)[C@@H]1CCO ZINC000595688871 349700857 /nfs/dbraw/zinc/70/08/57/349700857.db2.gz JQFVXDKVYIJRPS-WMLDXEAASA-N 1 1 272.392 2.584 20 30 CFEDMO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc(F)ccc1C#N)C2 ZINC000595690156 349702211 /nfs/dbraw/zinc/70/22/11/349702211.db2.gz WBILFCOFGABGQU-IYBDPMFKSA-N 1 1 274.339 2.556 20 30 CFEDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc(F)ccc1C#N)C2 ZINC000595690156 349702214 /nfs/dbraw/zinc/70/22/14/349702214.db2.gz WBILFCOFGABGQU-IYBDPMFKSA-N 1 1 274.339 2.556 20 30 CFEDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000595670323 349695591 /nfs/dbraw/zinc/69/55/91/349695591.db2.gz BKONDUNFSNMTKI-MLGOLLRUSA-N 1 1 276.355 2.680 20 30 CFEDMO CC[C@@]1(C)CC[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000344275400 529527132 /nfs/dbraw/zinc/52/71/32/529527132.db2.gz SAGVMFLHMAWTJG-INIZCTEOSA-N 1 1 291.439 2.793 20 30 CFEDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000595671811 349695957 /nfs/dbraw/zinc/69/59/57/349695957.db2.gz WAPDASJEBIFUCY-PBHICJAKSA-N 1 1 297.402 2.794 20 30 CFEDMO CC1(C)CC[N@@H+](CC(=O)NC2(C#N)CCC2)CC(C)(C)C1 ZINC000595747729 349721697 /nfs/dbraw/zinc/72/16/97/349721697.db2.gz DAOCHOACEJWWRC-UHFFFAOYSA-N 1 1 291.439 2.697 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)C1 ZINC000595748435 349722530 /nfs/dbraw/zinc/72/25/30/349722530.db2.gz UPYCLKXMOHRYFF-BZZMCLGOSA-N 1 1 284.403 2.777 20 30 CFEDMO N#C[C@H]1CC[C@H]([N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)C1 ZINC000595748466 349722872 /nfs/dbraw/zinc/72/28/72/349722872.db2.gz UPYCLKXMOHRYFF-LEUOFYLZSA-N 1 1 284.403 2.777 20 30 CFEDMO C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)[C@@H]1CCO ZINC000595701094 349709675 /nfs/dbraw/zinc/70/96/75/349709675.db2.gz PQMGYPYVXXKLDC-BLLLJJGKSA-N 1 1 276.355 2.680 20 30 CFEDMO C[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2F)[C@H]1CCO ZINC000595703519 349710260 /nfs/dbraw/zinc/71/02/60/349710260.db2.gz TTWJQASOSIRQBS-WBMJQRKESA-N 1 1 276.355 2.680 20 30 CFEDMO C[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)[C@H]1CCO ZINC000595706067 349710989 /nfs/dbraw/zinc/71/09/89/349710989.db2.gz XDVLREQDBYZXKI-WFASDCNBSA-N 1 1 276.355 2.680 20 30 CFEDMO CN(c1ccccc1)[C@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000595824938 349743284 /nfs/dbraw/zinc/74/32/84/349743284.db2.gz ALVMVYNAQPRBMT-SFHVURJKSA-N 1 1 292.386 2.664 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595830571 349744985 /nfs/dbraw/zinc/74/49/85/349744985.db2.gz FPCVJRMMRTUXET-HOCLYGCPSA-N 1 1 297.402 2.564 20 30 CFEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000595785537 349732919 /nfs/dbraw/zinc/73/29/19/349732919.db2.gz 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266.385 2.734 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000602473649 350896036 /nfs/dbraw/zinc/89/60/36/350896036.db2.gz CADBTUOMHJUDMQ-QWHCGFSZSA-N 1 1 266.385 2.590 20 30 CFEDMO C=CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC1CCCCC1 ZINC000602474940 350897250 /nfs/dbraw/zinc/89/72/50/350897250.db2.gz SDHOROFSHITLFC-UHFFFAOYSA-N 1 1 292.383 2.897 20 30 CFEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1C[C@@H](C)CCC#N ZINC000602640860 350958469 /nfs/dbraw/zinc/95/84/69/350958469.db2.gz DUPSITCVUFQEQB-LSDHHAIUSA-N 1 1 252.402 2.799 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+](CCN(C)C)Cc1ccco1 ZINC000602665059 350967274 /nfs/dbraw/zinc/96/72/74/350967274.db2.gz YJYRMPANOLUXPN-AWEZNQCLSA-N 1 1 263.385 2.583 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](CCN(C)C)Cc1ccco1 ZINC000602665059 350967278 /nfs/dbraw/zinc/96/72/78/350967278.db2.gz YJYRMPANOLUXPN-AWEZNQCLSA-N 1 1 263.385 2.583 20 30 CFEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cccc(F)c2C#N)C1 ZINC000602666736 350967319 /nfs/dbraw/zinc/96/73/19/350967319.db2.gz 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C=CCC[C@@H](O)C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000178123555 189092006 /nfs/dbraw/zinc/09/20/06/189092006.db2.gz MTNVRBDRXPUDPS-CYBMUJFWSA-N 1 1 270.376 2.853 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000179398391 189191260 /nfs/dbraw/zinc/19/12/60/189191260.db2.gz NWULKEFDWUEBCR-AWEZNQCLSA-N 1 1 291.391 2.871 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCN1CC(F)F ZINC000179553852 189201726 /nfs/dbraw/zinc/20/17/26/189201726.db2.gz HTIICILOHWICOJ-OAHLLOKOSA-N 1 1 293.361 2.720 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCN1CC(F)F ZINC000179553852 189201727 /nfs/dbraw/zinc/20/17/27/189201727.db2.gz HTIICILOHWICOJ-OAHLLOKOSA-N 1 1 293.361 2.720 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)cc1Cl ZINC000180184475 189241697 /nfs/dbraw/zinc/24/16/97/189241697.db2.gz NQMZLHWZSOEHEC-OAHLLOKOSA-N 1 1 281.783 2.862 20 30 CFEDMO C=CCC[C@H]([NH2+]Cc1nccc(N)n1)c1ccccc1 ZINC000180044727 189234408 /nfs/dbraw/zinc/23/44/08/189234408.db2.gz GWQFHJQCGWCBJJ-AWEZNQCLSA-N 1 1 268.364 2.856 20 30 CFEDMO C#CCCCCC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000180365432 189251513 /nfs/dbraw/zinc/25/15/13/189251513.db2.gz TZAHXNZXIMBYJI-FUHWJXTLSA-N 1 1 298.430 2.959 20 30 CFEDMO COCCCOCC[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000180716682 189271582 /nfs/dbraw/zinc/27/15/82/189271582.db2.gz CQIJLUNWPRORAE-CQSZACIVSA-N 1 1 276.380 2.604 20 30 CFEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)c1c(Cl)cccc1C#N ZINC000301412513 201000391 /nfs/dbraw/zinc/00/03/91/201000391.db2.gz YXJMNYYUKOGPNF-GFCCVEGCSA-N 1 1 277.799 2.990 20 30 CFEDMO CC[N@H+]1CCCC[C@@H]1CNc1ccc(F)cc1C#N ZINC000301522331 201046635 /nfs/dbraw/zinc/04/66/35/201046635.db2.gz GGQPNYPMPMINMZ-CQSZACIVSA-N 1 1 261.344 2.984 20 30 CFEDMO CC[N@H+]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000301552767 201066107 /nfs/dbraw/zinc/06/61/07/201066107.db2.gz VTQDNEAQKRWMHO-UHFFFAOYSA-N 1 1 263.772 2.744 20 30 CFEDMO C[C@H](C[N@@H+](C)Cc1ccc(C#N)o1)c1nccs1 ZINC000183262986 189352979 /nfs/dbraw/zinc/35/29/79/189352979.db2.gz WGCNDCUGZFCKTA-SNVBAGLBSA-N 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/nfs/dbraw/zinc/00/73/73/241007373.db2.gz FUAHDLZJQYCDBO-UHFFFAOYSA-N 1 1 296.370 2.947 20 30 CFEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C#N)s1 ZINC000443791203 241090019 /nfs/dbraw/zinc/09/00/19/241090019.db2.gz PXPLAUHYHOPWRR-GYSYKLTISA-N 1 1 264.394 2.601 20 30 CFEDMO CC1(C)CCC[N@@H+](CCNc2nc3c(cc2C#N)CCC3)C1 ZINC000443951543 241097862 /nfs/dbraw/zinc/09/78/62/241097862.db2.gz YGEOEXHBHVHZRE-UHFFFAOYSA-N 1 1 298.434 2.976 20 30 CFEDMO Cc1cc(CNC[C@@H](C)C[NH+]2CCCC2)ccc1C#N ZINC000443989086 241102581 /nfs/dbraw/zinc/10/25/81/241102581.db2.gz KAQIAAZIWBMPSX-CQSZACIVSA-N 1 1 271.408 2.688 20 30 CFEDMO Cc1cc(CNCC[N@H+]2CCCC[C@H]2C)ccc1C#N ZINC000443987524 241103521 /nfs/dbraw/zinc/10/35/21/241103521.db2.gz HKJWXMKBBZGEPJ-OAHLLOKOSA-N 1 1 271.408 2.831 20 30 CFEDMO Cc1cc(CNCC[N@@H+]2CCCC[C@H]2C)ccc1C#N ZINC000443987524 241103524 /nfs/dbraw/zinc/10/35/24/241103524.db2.gz HKJWXMKBBZGEPJ-OAHLLOKOSA-N 1 1 271.408 2.831 20 30 CFEDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(C#N)cc1 ZINC000443336447 241054408 /nfs/dbraw/zinc/05/44/08/241054408.db2.gz QGOFWCKXRMDTKW-WWGRRREGSA-N 1 1 258.365 2.540 20 30 CFEDMO CC[C@@H](NCC[N@H+](C)C(C)C)c1ccc(C#N)cc1 ZINC000447543831 241383403 /nfs/dbraw/zinc/38/34/03/241383403.db2.gz MQEIOMDXAOLEMS-MRXNPFEDSA-N 1 1 259.397 2.939 20 30 CFEDMO CC[C@@H](NCC[N@@H+](C)C(C)C)c1ccc(C#N)cc1 ZINC000447543831 241383407 /nfs/dbraw/zinc/38/34/07/241383407.db2.gz MQEIOMDXAOLEMS-MRXNPFEDSA-N 1 1 259.397 2.939 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](CO)CC(C)(C)C ZINC000449583720 242048509 /nfs/dbraw/zinc/04/85/09/242048509.db2.gz IMNJBRZTZCJAKY-OAHLLOKOSA-N 1 1 260.381 2.787 20 30 CFEDMO Cn1cc(C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1C#N ZINC000449532853 242009443 /nfs/dbraw/zinc/00/94/43/242009443.db2.gz DRLDUCCZWCTBFQ-CVEARBPZSA-N 1 1 255.365 2.517 20 30 CFEDMO CCn1ccnc1[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000449562954 242031645 /nfs/dbraw/zinc/03/16/45/242031645.db2.gz PPEWOGCFMVFOFR-JTQLQIEISA-N 1 1 260.366 2.687 20 30 CFEDMO Cn1cc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)cc1C#N ZINC000449761736 242144965 /nfs/dbraw/zinc/14/49/65/242144965.db2.gz ANMQIJJRPMHXEF-YALNPMBYSA-N 1 1 269.392 2.765 20 30 CFEDMO C[C@H]1CCC[N@@H+](CCNc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450256432 242327903 /nfs/dbraw/zinc/32/79/03/242327903.db2.gz HINFIUQFELSTFL-LBPRGKRZSA-N 1 1 288.351 2.610 20 30 CFEDMO CC[N@@H+](C)C[C@H]1CCN(c2cccc(Cl)c2C#N)C1 ZINC000450363689 242378420 /nfs/dbraw/zinc/37/84/20/242378420.db2.gz VYKKUBQRIDNVND-GFCCVEGCSA-N 1 1 277.799 2.990 20 30 CFEDMO C[C@@H]1C[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000450380810 242387252 /nfs/dbraw/zinc/38/72/52/242387252.db2.gz SEFJCJLMVBWPGW-ZYHUDNBSSA-N 1 1 286.335 2.504 20 30 CFEDMO N#Cc1cc(Cl)ccc1C[N@H+](CCO)C1CCC1 ZINC000275922240 193163755 /nfs/dbraw/zinc/16/37/55/193163755.db2.gz ZMDLRCYRSJAFCH-UHFFFAOYSA-N 1 1 264.756 2.558 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CCCO)C1 ZINC000452126578 243056935 /nfs/dbraw/zinc/05/69/35/243056935.db2.gz KHMVZIVWLJMGJF-ZFWWWQNUSA-N 1 1 258.365 2.714 20 30 CFEDMO C=CCNC(=O)C[N@H+]1CCc2ccccc2[C@H]1C(C)C ZINC000675642763 541675790 /nfs/dbraw/zinc/67/57/90/541675790.db2.gz NCYZIPHHHKPHAU-QGZVFWFLSA-N 1 1 272.392 2.544 20 30 CFEDMO CS[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)C[C@H]1N(C)C ZINC000276033036 193194876 /nfs/dbraw/zinc/19/48/76/193194876.db2.gz MHDYXWAYGSAOTF-DAXOMENPSA-N 1 1 289.448 2.597 20 30 CFEDMO CS[C@@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)C[C@H]1N(C)C ZINC000276033036 193194878 /nfs/dbraw/zinc/19/48/78/193194878.db2.gz MHDYXWAYGSAOTF-DAXOMENPSA-N 1 1 289.448 2.597 20 30 CFEDMO CCC[N@@H+](CC)CCNC(=O)Nc1cc(C)cc(C#N)c1 ZINC000455962034 244039523 /nfs/dbraw/zinc/03/95/23/244039523.db2.gz AHSCWNJZDNWIBQ-UHFFFAOYSA-N 1 1 288.395 2.720 20 30 CFEDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000456390876 244169908 /nfs/dbraw/zinc/16/99/08/244169908.db2.gz WECTYUTWAGRYSN-WMLDXEAASA-N 1 1 299.418 2.604 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 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ZINC000276511578 193362868 /nfs/dbraw/zinc/36/28/68/193362868.db2.gz XQEMRWSZQYHGOH-CYBMUJFWSA-N 1 1 256.353 2.836 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)c1cn(-c2ccccc2)nn1 ZINC000276511578 193362870 /nfs/dbraw/zinc/36/28/70/193362870.db2.gz XQEMRWSZQYHGOH-CYBMUJFWSA-N 1 1 256.353 2.836 20 30 CFEDMO C=CCC[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000276476005 193347843 /nfs/dbraw/zinc/34/78/43/193347843.db2.gz SCSUIEWPIJXWRJ-UHFFFAOYSA-N 1 1 257.337 2.787 20 30 CFEDMO C=CCC[N@H+](C)CCC(=O)Nc1ccc(OCC)cc1 ZINC000276481460 193350509 /nfs/dbraw/zinc/35/05/09/193350509.db2.gz SUMMZZJHHIUKIW-UHFFFAOYSA-N 1 1 276.380 2.922 20 30 CFEDMO CCC#C[C@H](C)[NH+]1CCN(c2ccccc2OC)CC1 ZINC000677046717 541813054 /nfs/dbraw/zinc/81/30/54/541813054.db2.gz HEHCPUAPYSFQNG-HNNXBMFYSA-N 1 1 272.392 2.619 20 30 CFEDMO CSC1(C[NH+]2CC(Oc3ccc(C#N)cc3)C2)CCC1 ZINC000459615915 245243712 /nfs/dbraw/zinc/24/37/12/245243712.db2.gz PMTHPIVOKGJONB-UHFFFAOYSA-N 1 1 288.416 2.907 20 30 CFEDMO 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299.349 2.748 20 30 CFEDMO CC#CC[N@@H+](CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000157881898 378660827 /nfs/dbraw/zinc/66/08/27/378660827.db2.gz FAVNZIWVSGCUNM-CQSZACIVSA-N 1 1 258.365 2.749 20 30 CFEDMO CC#CC[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1 ZINC000157881898 378660831 /nfs/dbraw/zinc/66/08/31/378660831.db2.gz FAVNZIWVSGCUNM-CQSZACIVSA-N 1 1 258.365 2.749 20 30 CFEDMO CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000331272799 378661486 /nfs/dbraw/zinc/66/14/86/378661486.db2.gz OFYADYBSGIZIKG-XJKSGUPXSA-N 1 1 285.391 2.610 20 30 CFEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000158048968 378662427 /nfs/dbraw/zinc/66/24/27/378662427.db2.gz UAYOXWCDIYVTCD-GOSISDBHSA-N 1 1 296.345 2.789 20 30 CFEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636156171 383730801 /nfs/dbraw/zinc/73/08/01/383730801.db2.gz KKZXDVBTFCCBOP-KFWWJZLASA-N 1 1 264.413 2.579 20 30 CFEDMO C[N@H+]1CCC[C@@H]2CN(CC#Cc3ccc(F)cc3)CC[C@@H]21 ZINC000157167261 378651023 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N#Cc1ccc2ncc(C[N@H+]3CCSC[C@@H]3C3CC3)n2c1 ZINC000334679207 379753858 /nfs/dbraw/zinc/75/38/58/379753858.db2.gz LKSJPEBUPYGQOO-OAHLLOKOSA-N 1 1 298.415 2.533 20 30 CFEDMO C=CCCC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000173608234 379758128 /nfs/dbraw/zinc/75/81/28/379758128.db2.gz SPDZWXBINKCOGF-OAHLLOKOSA-N 1 1 274.408 2.979 20 30 CFEDMO Cc1cc(C#N)ccc1C(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000335716334 379775120 /nfs/dbraw/zinc/77/51/20/379775120.db2.gz PNUWWYVDKKCINL-GOEBONIOSA-N 1 1 297.402 2.566 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C#N)cc2)C[C@@H]1C ZINC000335759915 379843476 /nfs/dbraw/zinc/84/34/76/379843476.db2.gz SVLCATCICLBTPH-BBRMVZONSA-N 1 1 285.391 2.503 20 30 CFEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000334740343 379858267 /nfs/dbraw/zinc/85/82/67/379858267.db2.gz VTZJQPHWRLXVAX-XHDPSFHLSA-N 1 1 262.328 2.554 20 30 CFEDMO C=C(C)C[NH+]1CCC(NCc2ccc(OC)c(C#N)c2)CC1 ZINC000174363048 379872279 /nfs/dbraw/zinc/87/22/79/379872279.db2.gz VNHLPYFOSYKYHL-UHFFFAOYSA-N 1 1 299.418 2.697 20 30 CFEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000335782154 379878880 /nfs/dbraw/zinc/87/88/80/379878880.db2.gz YKBDVFWQVYHGDN-ZIAGYGMSSA-N 1 1 299.418 2.652 20 30 CFEDMO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C#N)c2)CC[N@H+]1C ZINC000174442148 379887846 /nfs/dbraw/zinc/88/78/46/379887846.db2.gz JUPFXMDGVFORMT-WFASDCNBSA-N 1 1 286.379 2.505 20 30 CFEDMO C=CCC(C)(C)CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000432360760 383741449 /nfs/dbraw/zinc/74/14/49/383741449.db2.gz WQXWIWWBCHNCDN-OAHLLOKOSA-N 1 1 293.455 2.905 20 30 CFEDMO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174962459 379970010 /nfs/dbraw/zinc/97/00/10/379970010.db2.gz XHNPNBRYXXKXHG-QGZVFWFLSA-N 1 1 286.419 2.933 20 30 CFEDMO C=CCN1C(=O)c2ccccc2N[C@]12CC[N@@H+](C)[C@H](C)C2 ZINC000334879818 379937713 /nfs/dbraw/zinc/93/77/13/379937713.db2.gz DEAUCJQTFOSJQE-CXAGYDPISA-N 1 1 285.391 2.551 20 30 CFEDMO CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000335205749 380006538 /nfs/dbraw/zinc/00/65/38/380006538.db2.gz ICOHGBGUJAQVTK-ZDUSSCGKSA-N 1 1 264.756 2.557 20 30 CFEDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000335205749 380006543 /nfs/dbraw/zinc/00/65/43/380006543.db2.gz ICOHGBGUJAQVTK-ZDUSSCGKSA-N 1 1 264.756 2.557 20 30 CFEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCCC23CCC3)cc1 ZINC000335873767 380031829 /nfs/dbraw/zinc/03/18/29/380031829.db2.gz AKMNRKKQFAFZBP-UHFFFAOYSA-N 1 1 269.348 2.515 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000175370756 380051894 /nfs/dbraw/zinc/05/18/94/380051894.db2.gz CKGVCAUNEFCYPY-PXAZEXFGSA-N 1 1 251.395 2.993 20 30 CFEDMO C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCC#N ZINC000175395115 380057337 /nfs/dbraw/zinc/05/73/37/380057337.db2.gz BTICISYNDVHHPQ-XIKOKIGWSA-N 1 1 264.394 2.721 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c(F)c1 ZINC000335933778 380124170 /nfs/dbraw/zinc/12/41/70/380124170.db2.gz UNQDPMWTRYSITK-HOTGVXAUSA-N 1 1 274.339 2.841 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000336417416 380342231 /nfs/dbraw/zinc/34/22/31/380342231.db2.gz YHPPJBIVEMKCOR-CQSZACIVSA-N 1 1 290.432 2.673 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000336532234 380424763 /nfs/dbraw/zinc/42/47/63/380424763.db2.gz LLPGJUREKJMOFP-DLBZAZTESA-N 1 1 270.376 2.807 20 30 CFEDMO N#Cc1csc(C[NH2+][C@H]2COc3ccc(F)cc32)c1 ZINC000336537039 380433082 /nfs/dbraw/zinc/43/30/82/380433082.db2.gz JHNJNHWUMVZWJW-ZDUSSCGKSA-N 1 1 274.320 2.982 20 30 CFEDMO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)CCCO1 ZINC000178939928 380494576 /nfs/dbraw/zinc/49/45/76/380494576.db2.gz FXBKXCJPMBJTMJ-ZDUSSCGKSA-N 1 1 263.768 2.802 20 30 CFEDMO C[C@H]1C[N@@H+](CC#Cc2cccc(Cl)c2)CCCO1 ZINC000178939928 380494578 /nfs/dbraw/zinc/49/45/78/380494578.db2.gz FXBKXCJPMBJTMJ-ZDUSSCGKSA-N 1 1 263.768 2.802 20 30 CFEDMO CC1(C)C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@@H]1C1CC1 ZINC000336561150 380468578 /nfs/dbraw/zinc/46/85/78/380468578.db2.gz BDNBEAXDFIJESO-MRXNPFEDSA-N 1 1 280.375 2.826 20 30 CFEDMO C[C@H]1CC[N@@H+](C)CCN1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000336569302 380481302 /nfs/dbraw/zinc/48/13/02/380481302.db2.gz FKIQXCTWLGKGTG-AWEZNQCLSA-N 1 1 299.418 2.654 20 30 CFEDMO C=CCC[C@H]([NH2+]Cc1nncn1C)c1ccccc1 ZINC000178756703 380481598 /nfs/dbraw/zinc/48/15/98/380481598.db2.gz YMRUHLVSQAILLZ-AWEZNQCLSA-N 1 1 256.353 2.612 20 30 CFEDMO COCc1cccc(C[N@H+](CCC#N)CC2CC2)c1 ZINC000179226762 380522155 /nfs/dbraw/zinc/52/21/55/380522155.db2.gz VJJDEHDWMCQICA-UHFFFAOYSA-N 1 1 258.365 2.959 20 30 CFEDMO COCc1cccc(C[N@@H+](CCC#N)CC2CC2)c1 ZINC000179226762 380522160 /nfs/dbraw/zinc/52/21/60/380522160.db2.gz VJJDEHDWMCQICA-UHFFFAOYSA-N 1 1 258.365 2.959 20 30 CFEDMO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc(C#N)s1 ZINC000180210832 380633828 /nfs/dbraw/zinc/63/38/28/380633828.db2.gz VHNJGAKUTLFYRJ-CQSZACIVSA-N 1 1 286.404 2.863 20 30 CFEDMO Cn1ncc2c1CCC[C@H]2[N@@H+](C)Cc1ccc(C#N)s1 ZINC000180210832 380633830 /nfs/dbraw/zinc/63/38/30/380633830.db2.gz VHNJGAKUTLFYRJ-CQSZACIVSA-N 1 1 286.404 2.863 20 30 CFEDMO C=C(C)CN(C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000180667845 380688006 /nfs/dbraw/zinc/68/80/06/380688006.db2.gz OKAQDABTPKDNOH-IYBDPMFKSA-N 1 1 295.471 2.962 20 30 CFEDMO C=CCCC(C)(C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000636239422 383748436 /nfs/dbraw/zinc/74/84/36/383748436.db2.gz GOXRVJFDWCVJSH-UHFFFAOYSA-N 1 1 263.385 2.868 20 30 CFEDMO C=C(C)CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000180421763 380654305 /nfs/dbraw/zinc/65/43/05/380654305.db2.gz WOEZSYOVFXHSTJ-HNNXBMFYSA-N 1 1 260.381 2.714 20 30 CFEDMO C=C1CC[NH+](Cc2cc(=O)oc3c(C)c(O)ccc23)CC1 ZINC000264509541 383749602 /nfs/dbraw/zinc/74/96/02/383749602.db2.gz XJZLELULYMFNSA-UHFFFAOYSA-N 1 1 285.343 2.959 20 30 CFEDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000295359608 380807653 /nfs/dbraw/zinc/80/76/53/380807653.db2.gz ZJOSNJZHSDJFRX-OAHLLOKOSA-N 1 1 258.365 2.541 20 30 CFEDMO CC(C)CC[N@@H+](CCC#N)CCO[C@H]1CCCCO1 ZINC000181730445 380880668 /nfs/dbraw/zinc/88/06/68/380880668.db2.gz WKSMIWDWZDZEHM-HNNXBMFYSA-N 1 1 268.401 2.791 20 30 CFEDMO CC(C)CC[N@H+](CCC#N)CCO[C@H]1CCCCO1 ZINC000181730445 380880677 /nfs/dbraw/zinc/88/06/77/380880677.db2.gz WKSMIWDWZDZEHM-HNNXBMFYSA-N 1 1 268.401 2.791 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CC2CC(F)(F)C2)c1 ZINC000295473188 380878138 /nfs/dbraw/zinc/87/81/38/380878138.db2.gz ISVWNPKRMDEXLU-UHFFFAOYSA-N 1 1 292.329 2.584 20 30 CFEDMO C[C@H]1CCC[C@H](C)N1CC[NH2+]Cc1cccc(C#N)c1 ZINC000341214868 380835282 /nfs/dbraw/zinc/83/52/82/380835282.db2.gz UPIRNDDGTNFUGD-GJZGRUSLSA-N 1 1 271.408 2.911 20 30 CFEDMO C[C@@H](O)CC[N@H+](C)Cc1ccc(Br)cc1C#N ZINC000287588459 380878459 /nfs/dbraw/zinc/87/84/59/380878459.db2.gz CQEFXKGPFCQSTQ-SNVBAGLBSA-N 1 1 297.196 2.523 20 30 CFEDMO C[C@@H](O)CC[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000287588459 380878465 /nfs/dbraw/zinc/87/84/65/380878465.db2.gz CQEFXKGPFCQSTQ-SNVBAGLBSA-N 1 1 297.196 2.523 20 30 CFEDMO C[C@H](C#N)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358425174 380839419 /nfs/dbraw/zinc/83/94/19/380839419.db2.gz LDQVWBBBDZNQHV-CABCVRRESA-N 1 1 291.439 2.649 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)C(=O)NC(C)(C)C ZINC000358559777 380927795 /nfs/dbraw/zinc/92/77/95/380927795.db2.gz DGQAZGMOQJMCFU-WDEREUQCSA-N 1 1 291.370 2.651 20 30 CFEDMO Cc1ccncc1N1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000341278979 380897061 /nfs/dbraw/zinc/89/70/61/380897061.db2.gz VGBCKYMEKHYGIQ-UHFFFAOYSA-N 1 1 292.386 2.584 20 30 CFEDMO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000358513842 380899315 /nfs/dbraw/zinc/89/93/15/380899315.db2.gz WLFIWWTWHPDEFP-NSHDSACASA-N 1 1 255.321 2.959 20 30 CFEDMO C=C(CC)C[N@H+]1C[C@@H](C(=O)NCCCC)CC[C@H]1C ZINC000358514346 380899496 /nfs/dbraw/zinc/89/94/96/380899496.db2.gz WHCDSROQCPKPTN-CABCVRRESA-N 1 1 266.429 2.969 20 30 CFEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CCNC(=O)CC1 ZINC000295516803 380909199 /nfs/dbraw/zinc/90/91/99/380909199.db2.gz LZIZITYVBXKXIG-AWEZNQCLSA-N 1 1 290.382 2.730 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000347091777 380931439 /nfs/dbraw/zinc/93/14/39/380931439.db2.gz GOQLLVSDYUBJKR-QWRGUYRKSA-N 1 1 265.319 2.976 20 30 CFEDMO CC[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CCC1 ZINC000353871412 380916556 /nfs/dbraw/zinc/91/65/56/380916556.db2.gz LRRSBSSTQMRDJU-UHFFFAOYSA-N 1 1 254.337 2.580 20 30 CFEDMO C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccc(C#N)cc1F ZINC000358552626 380920156 /nfs/dbraw/zinc/92/01/56/380920156.db2.gz GZNGVZGZPGXXRS-LLVKDONJSA-N 1 1 297.333 2.647 20 30 CFEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000368099214 380921675 /nfs/dbraw/zinc/92/16/75/380921675.db2.gz DZHSVQOXIGDCLZ-UKRRQHHQSA-N 1 1 295.386 2.630 20 30 CFEDMO C[C@H]([NH2+]Cc1cccnc1)c1ccc(C#N)cc1F ZINC000358592159 380952898 /nfs/dbraw/zinc/95/28/98/380952898.db2.gz QABSIIHMQQSRAS-NSHDSACASA-N 1 1 255.296 2.943 20 30 CFEDMO Cc1ccc(C[N@H+](CCO)Cc2ccccc2C#N)cc1 ZINC000181976248 380955530 /nfs/dbraw/zinc/95/55/30/380955530.db2.gz QAPCDYAFBAHMGB-UHFFFAOYSA-N 1 1 280.371 2.861 20 30 CFEDMO Cc1ccc(C[N@@H+](CCO)Cc2ccccc2C#N)cc1 ZINC000181976248 380955534 /nfs/dbraw/zinc/95/55/34/380955534.db2.gz QAPCDYAFBAHMGB-UHFFFAOYSA-N 1 1 280.371 2.861 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000279267941 194359401 /nfs/dbraw/zinc/35/94/01/194359401.db2.gz NBHWZBNCINOEBM-UHFFFAOYSA-N 1 1 258.365 2.586 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000279267941 194359403 /nfs/dbraw/zinc/35/94/03/194359403.db2.gz NBHWZBNCINOEBM-UHFFFAOYSA-N 1 1 258.365 2.586 20 30 CFEDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)n[nH]1 ZINC000182033553 380969688 /nfs/dbraw/zinc/96/96/88/380969688.db2.gz APMUDJRNLZAOGG-WCQYABFASA-N 1 1 268.364 2.872 20 30 CFEDMO C=CCN(C)C(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000341371930 380974077 /nfs/dbraw/zinc/97/40/77/380974077.db2.gz WXGICGIESYGWDO-MJGOQNOKSA-N 1 1 298.430 2.933 20 30 CFEDMO C=C(CC)C[NH+]1CCN(Cc2cccs2)CC1 ZINC000358627456 380978391 /nfs/dbraw/zinc/97/83/91/380978391.db2.gz XLPMEIMEJOFMIX-UHFFFAOYSA-N 1 1 250.411 2.832 20 30 CFEDMO C=C(CC)CN1CC[NH+](Cc2cccs2)CC1 ZINC000358627456 380978399 /nfs/dbraw/zinc/97/83/99/380978399.db2.gz XLPMEIMEJOFMIX-UHFFFAOYSA-N 1 1 250.411 2.832 20 30 CFEDMO C=CC[N@H+](CCCC(=O)NCCC)Cc1ccccc1 ZINC000411134004 381010756 /nfs/dbraw/zinc/01/07/56/381010756.db2.gz MXOWCSZJCPNXHT-UHFFFAOYSA-N 1 1 274.408 2.981 20 30 CFEDMO COC(=O)[C@H](C)C[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411172582 381013184 /nfs/dbraw/zinc/01/31/84/381013184.db2.gz MJDZLYPHNDSYKF-CYBMUJFWSA-N 1 1 266.385 2.591 20 30 CFEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCCC ZINC000411178170 381015859 /nfs/dbraw/zinc/01/58/59/381015859.db2.gz LCOCVKDTIMBYSK-AWEZNQCLSA-N 1 1 290.407 2.598 20 30 CFEDMO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCCC ZINC000411178170 381015867 /nfs/dbraw/zinc/01/58/67/381015867.db2.gz LCOCVKDTIMBYSK-AWEZNQCLSA-N 1 1 290.407 2.598 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)C(=O)N(C)C(C)C ZINC000411202875 381016676 /nfs/dbraw/zinc/01/66/76/381016676.db2.gz VXSCYSKABBDZIC-INIZCTEOSA-N 1 1 288.435 2.972 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)CCc1ccccc1 ZINC000182194203 381016721 /nfs/dbraw/zinc/01/67/21/381016721.db2.gz USAZTVUCZXWSFC-LJQANCHMSA-N 1 1 294.398 2.984 20 30 CFEDMO C[N@H+]1CC[C@@H]2CCN(Cc3ccc(Cl)cc3C#N)C[C@H]21 ZINC000368422961 381018739 /nfs/dbraw/zinc/01/87/39/381018739.db2.gz UUVGGUZGPUOAGV-MLGOLLRUSA-N 1 1 289.810 2.738 20 30 CFEDMO C[N@H+]1CC[C@H]2CCN(Cc3ccc(Cl)cc3C#N)C[C@H]21 ZINC000368422959 381019447 /nfs/dbraw/zinc/01/94/47/381019447.db2.gz UUVGGUZGPUOAGV-BLLLJJGKSA-N 1 1 289.810 2.738 20 30 CFEDMO C=CC[N@@H+](CC1CCCCC1)[C@@H](C)C(=O)N(C)C ZINC000411259270 381020957 /nfs/dbraw/zinc/02/09/57/381020957.db2.gz NAQYUEFXIXSENO-ZDUSSCGKSA-N 1 1 252.402 2.531 20 30 CFEDMO CCC[N@@H+](C[C@@H]1CCCCO1)[C@H]1CC[C@H](C#N)C1 ZINC000411368883 381023108 /nfs/dbraw/zinc/02/31/08/381023108.db2.gz OZIIXIUIUCSTHY-KKUMJFAQSA-N 1 1 250.386 2.960 20 30 CFEDMO CC(=O)N1CC[N@H+]([C@@H](C)CCC#N)CC12CCCCC2 ZINC000411419650 381025527 /nfs/dbraw/zinc/02/55/27/381025527.db2.gz HFOLJAWLRSZRRK-AWEZNQCLSA-N 1 1 277.412 2.546 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000411540985 381031954 /nfs/dbraw/zinc/03/19/54/381031954.db2.gz GIZPRUAIUFBIMP-CZUORRHYSA-N 1 1 256.349 2.810 20 30 CFEDMO CS[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1N(C)C ZINC000411420606 381027097 /nfs/dbraw/zinc/02/70/97/381027097.db2.gz JUQOBFAZQVMQEO-HUUCEWRRSA-N 1 1 295.496 2.828 20 30 CFEDMO CS[C@@H]1CN(CCC2(C#N)CCCCC2)C[C@H]1[NH+](C)C ZINC000411420606 381027102 /nfs/dbraw/zinc/02/71/02/381027102.db2.gz JUQOBFAZQVMQEO-HUUCEWRRSA-N 1 1 295.496 2.828 20 30 CFEDMO C=C(C)C[N@H+](C)C[C@H](O)COc1ccc(SC)cc1 ZINC000411489145 381028526 /nfs/dbraw/zinc/02/85/26/381028526.db2.gz PYCZARGPUQDLTD-ZDUSSCGKSA-N 1 1 281.421 2.656 20 30 CFEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)NCCC(C)C ZINC000411483916 381030079 /nfs/dbraw/zinc/03/00/79/381030079.db2.gz FONAKRFEIRYZLJ-HNNXBMFYSA-N 1 1 292.423 2.861 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)NCCC(C)C ZINC000411483916 381030083 /nfs/dbraw/zinc/03/00/83/381030083.db2.gz FONAKRFEIRYZLJ-HNNXBMFYSA-N 1 1 292.423 2.861 20 30 CFEDMO N#Cc1sc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1Cl ZINC000288006529 380991250 /nfs/dbraw/zinc/99/12/50/380991250.db2.gz SEPOTEGFLZYHOV-MRVPVSSYSA-N 1 1 293.783 2.775 20 30 CFEDMO C=CCCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000279301370 194375163 /nfs/dbraw/zinc/37/51/63/194375163.db2.gz ZIBKFBJZTOENPU-MRXNPFEDSA-N 1 1 290.382 2.873 20 30 CFEDMO C=CCCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000279301370 194375166 /nfs/dbraw/zinc/37/51/66/194375166.db2.gz ZIBKFBJZTOENPU-MRXNPFEDSA-N 1 1 290.382 2.873 20 30 CFEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H](C)C#N)cc1)C1CC1 ZINC000410892344 381003063 /nfs/dbraw/zinc/00/30/63/381003063.db2.gz VUCGGKKENGBBNU-ZDUSSCGKSA-N 1 1 285.391 2.655 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000411532463 381032876 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2.948 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000369455926 381262448 /nfs/dbraw/zinc/26/24/48/381262448.db2.gz DVHJRIJAHADENB-JKSUJKDBSA-N 1 1 256.349 2.702 20 30 CFEDMO N#Cc1ccc(OCC[N@H+]2CCCO[C@@H]3CCC[C@H]32)cc1 ZINC000369464260 381267422 /nfs/dbraw/zinc/26/74/22/381267422.db2.gz DSEQZNFZUMQDEW-IAGOWNOFSA-N 1 1 286.375 2.580 20 30 CFEDMO C=CC[C@@H](C)NC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000354402918 381247516 /nfs/dbraw/zinc/24/75/16/381247516.db2.gz YECBSNGBLSMAPH-GDBMZVCRSA-N 1 1 274.408 2.978 20 30 CFEDMO C=CCCN(C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342378503 381304467 /nfs/dbraw/zinc/30/44/67/381304467.db2.gz HDOUZIPLKBJFKK-GASCZTMLSA-N 1 1 281.444 2.572 20 30 CFEDMO C=C(C)CN(CC)C(=O)Cn1c[nH+]c2c1C[C@H](C)[C@H](C)C2 ZINC000296138690 381272082 /nfs/dbraw/zinc/27/20/82/381272082.db2.gz ZNDGUUXZBUPTCB-KGLIPLIRSA-N 1 1 289.423 2.679 20 30 CFEDMO CO[C@@H](C)C[N@@H+](Cc1cc(C#N)ccc1F)C(C)C ZINC000354451751 381276923 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381318188 /nfs/dbraw/zinc/31/81/88/381318188.db2.gz XKKDQCXMYZPHCH-UHFFFAOYSA-N 1 1 267.332 2.594 20 30 CFEDMO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)nc1 ZINC000342412329 381318192 /nfs/dbraw/zinc/31/81/92/381318192.db2.gz XKKDQCXMYZPHCH-UHFFFAOYSA-N 1 1 267.332 2.594 20 30 CFEDMO C=CC[C@@H](C)[C@@H](C)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296329579 381349756 /nfs/dbraw/zinc/34/97/56/381349756.db2.gz HFOWMFXSSCVAQD-LVQVYYBASA-N 1 1 286.419 2.868 20 30 CFEDMO C=CC[C@@H](C)NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000342485457 381356507 /nfs/dbraw/zinc/35/65/07/381356507.db2.gz VHPHXMKFHQIEPU-MCIONIFRSA-N 1 1 267.417 2.513 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000342497069 381361344 /nfs/dbraw/zinc/36/13/44/381361344.db2.gz UIBCCUVQSCBFKB-JKXDFHQYSA-N 1 1 264.413 2.672 20 30 CFEDMO C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](SC)C2)c1C ZINC000296380898 381369722 /nfs/dbraw/zinc/36/97/22/381369722.db2.gz SBEZOZVCVSRXFG-CQSZACIVSA-N 1 1 292.448 2.911 20 30 CFEDMO C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](SC)C2)c1C ZINC000296380898 381369726 /nfs/dbraw/zinc/36/97/26/381369726.db2.gz SBEZOZVCVSRXFG-CQSZACIVSA-N 1 1 292.448 2.911 20 30 CFEDMO C#C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000290283657 381369835 /nfs/dbraw/zinc/36/98/35/381369835.db2.gz ZLERBPQBSMXHCZ-JTQLQIEISA-N 1 1 252.339 2.794 20 30 CFEDMO CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)c1cccc(C#N)c1 ZINC000290289827 381370539 /nfs/dbraw/zinc/37/05/39/381370539.db2.gz XVIQNHJZZVNEEB-KGLIPLIRSA-N 1 1 259.397 2.938 20 30 CFEDMO CC(C)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000290289827 381370544 /nfs/dbraw/zinc/37/05/44/381370544.db2.gz XVIQNHJZZVNEEB-KGLIPLIRSA-N 1 1 259.397 2.938 20 30 CFEDMO C[C@H]1COCC[N@@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000370054260 381374311 /nfs/dbraw/zinc/37/43/11/381374311.db2.gz VKVPXOMQXVMDQN-OAHLLOKOSA-N 1 1 287.407 2.505 20 30 CFEDMO Cn1c[nH+]c2cc(NCc3ccc(C#N)o3)ccc21 ZINC000347776590 381343345 /nfs/dbraw/zinc/34/33/45/381343345.db2.gz KVXJRXVQXVSKQU-UHFFFAOYSA-N 1 1 252.277 2.650 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(C#N)cc1 ZINC000342542207 381385766 /nfs/dbraw/zinc/38/57/66/381385766.db2.gz SBBLNDDDSQCWAM-BBRMVZONSA-N 1 1 285.391 2.610 20 30 CFEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000290370415 381402316 /nfs/dbraw/zinc/40/23/16/381402316.db2.gz HJKVOKBIFIDEHT-AWEZNQCLSA-N 1 1 270.336 2.828 20 30 CFEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000290370415 381402318 /nfs/dbraw/zinc/40/23/18/381402318.db2.gz HJKVOKBIFIDEHT-AWEZNQCLSA-N 1 1 270.336 2.828 20 30 CFEDMO COc1cc(C#N)ccc1C[N@@H+](C)CC[C@H]1CCCO1 ZINC000342598260 381424616 /nfs/dbraw/zinc/42/46/16/381424616.db2.gz IWNREUBFLPSUET-OAHLLOKOSA-N 1 1 274.364 2.568 20 30 CFEDMO Cc1cnc(C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000347940350 381425087 /nfs/dbraw/zinc/42/50/87/381425087.db2.gz FLZWQVQEQYQGNL-UHFFFAOYSA-N 1 1 290.370 2.946 20 30 CFEDMO Cc1cnc(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cn1 ZINC000347940350 381425093 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CC[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCS1 ZINC000093502389 393801070 /nfs/dbraw/zinc/80/10/70/393801070.db2.gz NTDTWESWZQQEBJ-NSHDSACASA-N 1 1 252.408 2.947 20 30 CFEDMO C=CCOCC[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000338881945 393804447 /nfs/dbraw/zinc/80/44/47/393804447.db2.gz XBIRVCBJWFZJHN-UHFFFAOYSA-N 1 1 269.772 2.983 20 30 CFEDMO C=CC[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000338973389 393807538 /nfs/dbraw/zinc/80/75/38/393807538.db2.gz ZQSZZTHIRFTPIT-UHFFFAOYSA-N 1 1 270.170 2.946 20 30 CFEDMO C=CCOCC[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000339006204 393810386 /nfs/dbraw/zinc/81/03/86/393810386.db2.gz XOVBIJHZQBINJZ-OAHLLOKOSA-N 1 1 253.386 2.613 20 30 CFEDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCOCCC#N ZINC000339095967 393818440 /nfs/dbraw/zinc/81/84/40/393818440.db2.gz RAOBSXHHHZFBBM-MRXNPFEDSA-N 1 1 287.407 2.517 20 30 CFEDMO COCCO[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000245744927 393826360 /nfs/dbraw/zinc/82/63/60/393826360.db2.gz AAWSQIMLEDSWLB-WMLDXEAASA-N 1 1 288.391 2.747 20 30 CFEDMO C=C[C@H](C)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000342823360 393871087 /nfs/dbraw/zinc/87/10/87/393871087.db2.gz ITJRDSPXKIXIGS-AXFHLTTASA-N 1 1 292.345 2.586 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000342846083 393871642 /nfs/dbraw/zinc/87/16/42/393871642.db2.gz ICRJFEINIDWEAG-CABCVRRESA-N 1 1 281.444 2.762 20 30 CFEDMO C=CCCOCCCCC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000342967955 393875696 /nfs/dbraw/zinc/87/56/96/393875696.db2.gz XEEOHVKRBHDVCR-UHFFFAOYSA-N 1 1 291.395 2.849 20 30 CFEDMO C=C(C)[C@@H]1OCC[C@H]1CNc1cc[nH+]cc1Br ZINC000343042722 393878884 /nfs/dbraw/zinc/87/88/84/393878884.db2.gz BXHMCQRSXKNBKQ-GWCFXTLKSA-N 1 1 297.196 2.659 20 30 CFEDMO C[C@H]1CCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459310806 393881929 /nfs/dbraw/zinc/88/19/29/393881929.db2.gz RJHSTFCGPHFCHM-NSHDSACASA-N 1 1 259.309 2.841 20 30 CFEDMO C[C@H]1CCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459310806 393881932 /nfs/dbraw/zinc/88/19/32/393881932.db2.gz 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/nfs/dbraw/zinc/85/11/80/393851180.db2.gz ICBSEEMAHSOGIO-STQMWFEESA-N 1 1 277.437 2.830 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000684671346 542843853 /nfs/dbraw/zinc/84/38/53/542843853.db2.gz LXNHAUARNKFVFU-JKSUJKDBSA-N 1 1 284.403 2.773 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000684889090 542866133 /nfs/dbraw/zinc/86/61/33/542866133.db2.gz GNGVKVVBVLXSSM-MRXNPFEDSA-N 1 1 287.407 2.656 20 30 CFEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000121163135 393950521 /nfs/dbraw/zinc/95/05/21/393950521.db2.gz QXBUQBQOSUSCOE-CYBMUJFWSA-N 1 1 276.380 2.920 20 30 CFEDMO C[C@H]1CSCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428973521 393928846 /nfs/dbraw/zinc/92/88/46/393928846.db2.gz YZWUECSKYXELJM-LLVKDONJSA-N 1 1 264.369 2.882 20 30 CFEDMO C[C@H]1CSCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428973521 393928847 /nfs/dbraw/zinc/92/88/47/393928847.db2.gz YZWUECSKYXELJM-LLVKDONJSA-N 1 1 264.369 2.882 20 30 CFEDMO C[C@@H](C#N)C[N@H+](CCOCC(F)(F)C(F)F)C1CC1 ZINC000346462370 393930615 /nfs/dbraw/zinc/93/06/15/393930615.db2.gz CBRKDRQSGOAPMT-VIFPVBQESA-N 1 1 282.281 2.527 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](CCOCC(F)(F)C(F)F)C1CC1 ZINC000346462370 393930617 /nfs/dbraw/zinc/93/06/17/393930617.db2.gz CBRKDRQSGOAPMT-VIFPVBQESA-N 1 1 282.281 2.527 20 30 CFEDMO N#Cc1c(F)cccc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429005813 393932707 /nfs/dbraw/zinc/93/27/07/393932707.db2.gz ZFIMSRNUGLGSGS-OAHLLOKOSA-N 1 1 288.366 2.946 20 30 CFEDMO N#Cc1c(F)cccc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429005813 393932710 /nfs/dbraw/zinc/93/27/10/393932710.db2.gz ZFIMSRNUGLGSGS-OAHLLOKOSA-N 1 1 288.366 2.946 20 30 CFEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000347075629 393936703 /nfs/dbraw/zinc/93/67/03/393936703.db2.gz FFEFUATZSMAJKW-FMKPAKJESA-N 1 1 280.412 2.585 20 30 CFEDMO CCC1(CC)C[N@H+](CCC(C)(C)C#N)CC[S@]1=O ZINC000347235537 393938684 /nfs/dbraw/zinc/93/86/84/393938684.db2.gz SALXFRAOMBPGCX-GOSISDBHSA-N 1 1 270.442 2.549 20 30 CFEDMO CCC1(CC)C[N@@H+](CCC(C)(C)C#N)CC[S@]1=O ZINC000347235537 393938686 /nfs/dbraw/zinc/93/86/86/393938686.db2.gz SALXFRAOMBPGCX-GOSISDBHSA-N 1 1 270.442 2.549 20 30 CFEDMO C=CCCC[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000121072264 393948288 /nfs/dbraw/zinc/94/82/88/393948288.db2.gz XXKIHGQUOPVKOI-UHFFFAOYSA-N 1 1 277.393 2.846 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000121120162 393948950 /nfs/dbraw/zinc/94/89/50/393948950.db2.gz VOVNZCHBCGNNHX-CABCVRRESA-N 1 1 266.429 2.922 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000346192269 393922690 /nfs/dbraw/zinc/92/26/90/393922690.db2.gz MUZNXPDOIYHFGE-YHUYYLMFSA-N 1 1 278.440 2.777 20 30 CFEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1Nc1snc(Cl)c1C#N ZINC000271455529 394020721 /nfs/dbraw/zinc/02/07/21/394020721.db2.gz ZNEWDDZMCIIDMS-OIBJUYFYSA-N 1 1 282.800 2.563 20 30 CFEDMO CCCC[N@@H+](CCCO)Cc1cc(F)ccc1C#N ZINC000271702944 394022421 /nfs/dbraw/zinc/02/24/21/394022421.db2.gz HRWGSVQXIMBFHV-UHFFFAOYSA-N 1 1 264.344 2.682 20 30 CFEDMO Cc1[nH]ncc1CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000262467614 393955516 /nfs/dbraw/zinc/95/55/16/393955516.db2.gz OAYVQIXCCRWDMH-UHFFFAOYSA-N 1 1 283.379 2.524 20 30 CFEDMO COCCOc1cccc(C[NH+]2CCC(F)(C#N)CC2)c1 ZINC000348709876 393957578 /nfs/dbraw/zinc/95/75/78/393957578.db2.gz BWQGJFNNHURKIY-UHFFFAOYSA-N 1 1 292.354 2.539 20 30 CFEDMO COc1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000348714041 393957616 /nfs/dbraw/zinc/95/76/16/393957616.db2.gz MLIGITWKFUIUFA-UHFFFAOYSA-N 1 1 278.327 2.531 20 30 CFEDMO C=CCOc1ccccc1C[N@H+](C)[C@H]1CCCOC1 ZINC000348712615 393957650 /nfs/dbraw/zinc/95/76/50/393957650.db2.gz VHADUGBRJXKKPP-HNNXBMFYSA-N 1 1 261.365 2.862 20 30 CFEDMO C=CCc1cc(C[N@H+](C)C[C@@H](C)OC)cc(OC)c1O ZINC000348836517 393959378 /nfs/dbraw/zinc/95/93/78/393959378.db2.gz CRYVSENIVJXAHX-GFCCVEGCSA-N 1 1 279.380 2.596 20 30 CFEDMO CC#CCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000121809015 393960531 /nfs/dbraw/zinc/96/05/31/393960531.db2.gz PBPRVXMSYZSYQX-SJLPKXTDSA-N 1 1 270.420 2.995 20 30 CFEDMO CC#CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000121809015 393960535 /nfs/dbraw/zinc/96/05/35/393960535.db2.gz PBPRVXMSYZSYQX-SJLPKXTDSA-N 1 1 270.420 2.995 20 30 CFEDMO CC#CC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000121809015 393960536 /nfs/dbraw/zinc/96/05/36/393960536.db2.gz PBPRVXMSYZSYQX-SJLPKXTDSA-N 1 1 270.420 2.995 20 30 CFEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2ccc(C#N)s2)C[C@@H](C)C1 ZINC000430145660 393961701 /nfs/dbraw/zinc/96/17/01/393961701.db2.gz GSFLIDMBYVZVGM-IOASZLSFSA-N 1 1 289.448 2.782 20 30 CFEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H](O)CCOC(C)C ZINC000349241577 393965854 /nfs/dbraw/zinc/96/58/54/393965854.db2.gz KUQPXMFCXWLIQT-AWEZNQCLSA-N 1 1 283.437 2.912 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)c2ccc(Cl)c(C#N)n2)C[C@@H]1C ZINC000486926318 393971496 /nfs/dbraw/zinc/97/14/96/393971496.db2.gz IMPJHTOEZBKABK-RYUDHWBXSA-N 1 1 292.814 2.916 20 30 CFEDMO CC1=C[C@@H](C)C[N@@H+](CCOc2ccccc2C#N)C1 ZINC000430283964 393979555 /nfs/dbraw/zinc/97/95/55/393979555.db2.gz LOZQPFYYKGBIFI-CYBMUJFWSA-N 1 1 256.349 2.835 20 30 CFEDMO C=CC[N@@H+](Cc1cc(C)nn1C)Cc1ccccc1 ZINC000417723728 393997403 /nfs/dbraw/zinc/99/74/03/393997403.db2.gz XOUKTQVLPYURFE-UHFFFAOYSA-N 1 1 255.365 2.917 20 30 CFEDMO C=CC[N@H+](Cc1cc(C)nn1C)Cc1ccccc1 ZINC000417723728 393997408 /nfs/dbraw/zinc/99/74/08/393997408.db2.gz XOUKTQVLPYURFE-UHFFFAOYSA-N 1 1 255.365 2.917 20 30 CFEDMO CO[C@H](C)C[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000353209641 394026094 /nfs/dbraw/zinc/02/60/94/394026094.db2.gz ZYECSYBXPDNWCZ-GFCCVEGCSA-N 1 1 251.757 2.658 20 30 CFEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000269616228 394005140 /nfs/dbraw/zinc/00/51/40/394005140.db2.gz GQOYECHYKCDYMS-OAHLLOKOSA-N 1 1 283.350 2.780 20 30 CFEDMO Cc1cc(C[NH2+][C@H](CCC#N)c2ccccc2)n(C)n1 ZINC000417955901 394009071 /nfs/dbraw/zinc/00/90/71/394009071.db2.gz SHDFBZVZTYKNDP-MRXNPFEDSA-N 1 1 268.364 2.863 20 30 CFEDMO Cc1cc(C#N)ccc1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000125907491 394015719 /nfs/dbraw/zinc/01/57/19/394015719.db2.gz ORJQLTJIHQDFJN-MRXNPFEDSA-N 1 1 299.418 2.813 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000489494962 394041305 /nfs/dbraw/zinc/04/13/05/394041305.db2.gz IKSYSUNCGVWKNB-OAHLLOKOSA-N 1 1 269.348 2.537 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000489494962 394041306 /nfs/dbraw/zinc/04/13/06/394041306.db2.gz IKSYSUNCGVWKNB-OAHLLOKOSA-N 1 1 269.348 2.537 20 30 CFEDMO C#CC[N@@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000491619118 394054361 /nfs/dbraw/zinc/05/43/61/394054361.db2.gz CVAYDTYGHJKPRD-CQSZACIVSA-N 1 1 258.365 2.667 20 30 CFEDMO C#CC[N@H+](CCC)[C@H](C)C(=O)Nc1ccccc1C ZINC000491619118 394054364 /nfs/dbraw/zinc/05/43/64/394054364.db2.gz CVAYDTYGHJKPRD-CQSZACIVSA-N 1 1 258.365 2.667 20 30 CFEDMO C#C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)(C)C ZINC000491692142 394056747 /nfs/dbraw/zinc/05/67/47/394056747.db2.gz QJKWTPIMMPDWSI-LSDHHAIUSA-N 1 1 276.424 2.558 20 30 CFEDMO C#C[C@H](C)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000491738372 394058357 /nfs/dbraw/zinc/05/83/57/394058357.db2.gz IAPFEKONKSPHSO-STQMWFEESA-N 1 1 292.810 2.813 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000491738372 394058360 /nfs/dbraw/zinc/05/83/60/394058360.db2.gz IAPFEKONKSPHSO-STQMWFEESA-N 1 1 292.810 2.813 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](Cc2ccco2)C2CCCC2)C1=O ZINC000281907891 394091887 /nfs/dbraw/zinc/09/18/87/394091887.db2.gz GFIRYYDUSMABGP-INIZCTEOSA-N 1 1 288.391 2.811 20 30 CFEDMO C=CC[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000492946397 394104957 /nfs/dbraw/zinc/10/49/57/394104957.db2.gz VTVUTBKIYVRWPQ-UHFFFAOYSA-N 1 1 256.390 2.655 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353410151 394029431 /nfs/dbraw/zinc/02/94/31/394029431.db2.gz GPMMMLUNYDTRNP-DYVFJYSZSA-N 1 1 271.408 2.865 20 30 CFEDMO CC[C@@H](C)N(C)CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353410151 394029436 /nfs/dbraw/zinc/02/94/36/394029436.db2.gz 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/nfs/dbraw/zinc/12/32/60/394123260.db2.gz FNXYBDYUXDASGK-UHFFFAOYSA-N 1 1 295.408 2.945 20 30 CFEDMO C=CCN(CCC#N)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359383515 394131824 /nfs/dbraw/zinc/13/18/24/394131824.db2.gz FQYIHECWHOYGED-OAHLLOKOSA-N 1 1 289.423 2.569 20 30 CFEDMO C#CCC[N@H+](C)[C@]1(c2ccccc2)CCCCC1=O ZINC000284079083 394134889 /nfs/dbraw/zinc/13/48/89/394134889.db2.gz LGCGEQYLHVBBSP-KRWDZBQOSA-N 1 1 255.361 2.980 20 30 CFEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C1(C#N)CCCCC1 ZINC000359530109 394137025 /nfs/dbraw/zinc/13/70/25/394137025.db2.gz PYGAJVMZSVQSQE-HNNXBMFYSA-N 1 1 291.439 2.793 20 30 CFEDMO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000442858441 394140538 /nfs/dbraw/zinc/14/05/38/394140538.db2.gz HWVRCTWNBJDMKZ-SQNIBIBYSA-N 1 1 283.419 2.790 20 30 CFEDMO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000442858441 394140540 /nfs/dbraw/zinc/14/05/40/394140540.db2.gz HWVRCTWNBJDMKZ-SQNIBIBYSA-N 1 1 283.419 2.790 20 30 CFEDMO C[C@@H]1CCN(C(=O)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000360310382 394148506 /nfs/dbraw/zinc/14/85/06/394148506.db2.gz LDTXKVNQJNZPLL-MRXNPFEDSA-N 1 1 299.418 2.803 20 30 CFEDMO CC#CCC[N@H+]1CCCN(Cc2ccccc2)C[C@H]1C ZINC000360437298 394152230 /nfs/dbraw/zinc/15/22/30/394152230.db2.gz MBKDWQYKLLMXQY-QGZVFWFLSA-N 1 1 270.420 2.996 20 30 CFEDMO CC#CCCN1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360437298 394152232 /nfs/dbraw/zinc/15/22/32/394152232.db2.gz MBKDWQYKLLMXQY-QGZVFWFLSA-N 1 1 270.420 2.996 20 30 CFEDMO CC#CCCN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360437298 394152235 /nfs/dbraw/zinc/15/22/35/394152235.db2.gz MBKDWQYKLLMXQY-QGZVFWFLSA-N 1 1 270.420 2.996 20 30 CFEDMO C=C(CC)C[N@H+](CCC(=O)OCC)Cc1cccnc1 ZINC000360491207 394153214 /nfs/dbraw/zinc/15/32/14/394153214.db2.gz QBAYQIZFSIFYRG-UHFFFAOYSA-N 1 1 276.380 2.803 20 30 CFEDMO COC(=O)[C@@H]1C[C@@H](C)CC[N@H+]1CCCC(C)(C)C#N ZINC000360539854 394154133 /nfs/dbraw/zinc/15/41/33/394154133.db2.gz JXCJHXYBSNIGSV-STQMWFEESA-N 1 1 266.385 2.590 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[NH2+]C(C)(C)c1c(C)noc1C ZINC000285842176 394155019 /nfs/dbraw/zinc/15/50/19/394155019.db2.gz XLIOYOWRVXUHDF-UHFFFAOYSA-N 1 1 293.411 2.541 20 30 CFEDMO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000360754586 394159124 /nfs/dbraw/zinc/15/91/24/394159124.db2.gz MXELFCXWRLOFKD-VFVRVIDISA-N 1 1 270.442 2.548 20 30 CFEDMO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1CCCCC(C)(C)C#N ZINC000360754586 394159128 /nfs/dbraw/zinc/15/91/28/394159128.db2.gz MXELFCXWRLOFKD-VFVRVIDISA-N 1 1 270.442 2.548 20 30 CFEDMO C=CCOc1ccccc1C[NH2+]Cc1cncs1 ZINC000133104259 394169385 /nfs/dbraw/zinc/16/93/85/394169385.db2.gz PFIDZSVBIANNLS-UHFFFAOYSA-N 1 1 260.362 2.998 20 30 CFEDMO CC[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000134983192 394208947 /nfs/dbraw/zinc/20/89/47/394208947.db2.gz BVJVAOCNUZKFCR-ZDUSSCGKSA-N 1 1 271.364 2.619 20 30 CFEDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000421380344 394211116 /nfs/dbraw/zinc/21/11/16/394211116.db2.gz 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N#Cc1ccc(F)c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000152853085 394278658 /nfs/dbraw/zinc/27/86/58/394278658.db2.gz VQKHZOMWDBBCBW-CZUORRHYSA-N 1 1 274.339 2.698 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000449554469 394281369 /nfs/dbraw/zinc/28/13/69/394281369.db2.gz OIVHRGSOCZZPFX-ILXRZTDVSA-N 1 1 264.413 2.799 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449554475 394281504 /nfs/dbraw/zinc/28/15/04/394281504.db2.gz OIVHRGSOCZZPFX-QLFBSQMISA-N 1 1 264.413 2.799 20 30 CFEDMO C=CCOc1ccc(CNC[C@H](C)[NH+](C)C)cc1Cl ZINC000449557707 394281525 /nfs/dbraw/zinc/28/15/25/394281525.db2.gz SJDBMAWKWOEPPX-LBPRGKRZSA-N 1 1 282.815 2.945 20 30 CFEDMO CCc1nocc1C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000293359755 394282879 /nfs/dbraw/zinc/28/28/79/394282879.db2.gz IGQCCXDTAXYKRL-UHFFFAOYSA-N 1 1 285.347 2.771 20 30 CFEDMO CCc1nocc1C[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000293359755 394282883 /nfs/dbraw/zinc/28/28/83/394282883.db2.gz IGQCCXDTAXYKRL-UHFFFAOYSA-N 1 1 285.347 2.771 20 30 CFEDMO C[C@H]1CC[N@@H+](CCCC#N)C[C@H]1C(=O)OC(C)(C)C ZINC000516648471 394369963 /nfs/dbraw/zinc/36/99/63/394369963.db2.gz XBXHEXATWORHES-QWHCGFSZSA-N 1 1 266.385 2.590 20 30 CFEDMO C[N@@H+]1CCO[C@@H](CSCC#Cc2ccc(Cl)cc2)C1 ZINC000518769170 394371748 /nfs/dbraw/zinc/37/17/48/394371748.db2.gz DWTXGNMOGWLWMI-OAHLLOKOSA-N 1 1 295.835 2.755 20 30 CFEDMO C[N@H+]1CCO[C@@H](CSCC#Cc2ccc(Cl)cc2)C1 ZINC000518769170 394371750 /nfs/dbraw/zinc/37/17/50/394371750.db2.gz DWTXGNMOGWLWMI-OAHLLOKOSA-N 1 1 295.835 2.755 20 30 CFEDMO C[N@@H+]1CCO[C@H](CSCC#Cc2ccc(Cl)cc2)C1 ZINC000518769169 394371754 /nfs/dbraw/zinc/37/17/54/394371754.db2.gz DWTXGNMOGWLWMI-HNNXBMFYSA-N 1 1 295.835 2.755 20 30 CFEDMO C[N@H+]1CCO[C@H](CSCC#Cc2ccc(Cl)cc2)C1 ZINC000518769169 394371756 /nfs/dbraw/zinc/37/17/56/394371756.db2.gz DWTXGNMOGWLWMI-HNNXBMFYSA-N 1 1 295.835 2.755 20 30 CFEDMO C[C@@H]1C[C@@H]1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000519667916 394374705 /nfs/dbraw/zinc/37/47/05/394374705.db2.gz 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276.767 2.907 20 30 CFEDMO C=CCCC[C@@H](C)N1CC[NH+](C2CCOCC2)CC1 ZINC000340877159 263311160 /nfs/dbraw/zinc/31/11/60/263311160.db2.gz CQLNLJLIZBHBPF-OAHLLOKOSA-N 1 1 266.429 2.528 20 30 CFEDMO C=CCCC[C@H](C)[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000341133840 263323662 /nfs/dbraw/zinc/32/36/62/263323662.db2.gz WXVQMNUJNLNUPK-BZSNNMDCSA-N 1 1 293.499 2.689 20 30 CFEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000341133840 263323664 /nfs/dbraw/zinc/32/36/64/263323664.db2.gz WXVQMNUJNLNUPK-BZSNNMDCSA-N 1 1 293.499 2.689 20 30 CFEDMO C=C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000341648690 263345696 /nfs/dbraw/zinc/34/56/96/263345696.db2.gz JDPHUQXCCLXAOR-LZWOXQAQSA-N 1 1 287.407 2.523 20 30 CFEDMO N#CC1(C[N@@H+](Cc2ccccc2)CC2(CO)CC2)CC1 ZINC000341963216 263371593 /nfs/dbraw/zinc/37/15/93/263371593.db2.gz DZJRDOLWEUUJGF-UHFFFAOYSA-N 1 1 270.376 2.565 20 30 CFEDMO N#CC1(C[N@H+](Cc2ccccc2)CC2(CO)CC2)CC1 ZINC000341963216 263371595 /nfs/dbraw/zinc/37/15/95/263371595.db2.gz DZJRDOLWEUUJGF-UHFFFAOYSA-N 1 1 270.376 2.565 20 30 CFEDMO C=CCN(Cc1ccccc1F)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000342047784 263383330 /nfs/dbraw/zinc/38/33/30/263383330.db2.gz XNRNLILVKODTIO-UKRRQHHQSA-N 1 1 290.382 2.538 20 30 CFEDMO COC(=O)[C@]12C[N@@H+](CCC(C)(C)C#N)C[C@@H]1CCCC2 ZINC000342143562 263398881 /nfs/dbraw/zinc/39/88/81/263398881.db2.gz VHAKLHDVHDLILW-XJKSGUPXSA-N 1 1 278.396 2.591 20 30 CFEDMO C=C(CC)C[N@H+]1C[C@@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000342169249 263404659 /nfs/dbraw/zinc/40/46/59/263404659.db2.gz KCXBTEXUZQLIGZ-DZGCQCFKSA-N 1 1 251.370 2.618 20 30 CFEDMO C#Cc1ccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000934929737 649856960 /nfs/dbraw/zinc/85/69/60/649856960.db2.gz INKZKDSZFHZYOT-GOSISDBHSA-N 1 1 297.402 2.618 20 30 CFEDMO CC(C)c1nn(C)cc1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000330880475 264061463 /nfs/dbraw/zinc/06/14/63/264061463.db2.gz MWDUHCWPVRBOOV-LBPRGKRZSA-N 1 1 280.416 2.577 20 30 CFEDMO CC(C)Oc1cc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccn1 ZINC000331007236 264106636 /nfs/dbraw/zinc/10/66/36/264106636.db2.gz SZPVHOUCAXMRDJ-GXTWGEPZSA-N 1 1 291.395 2.656 20 30 CFEDMO CC[C@H](C)n1ncc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1C ZINC000331068965 264112732 /nfs/dbraw/zinc/11/27/32/264112732.db2.gz AYMSIXINEVDQSN-OUCADQQQSA-N 1 1 292.427 2.950 20 30 CFEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000331195457 264158304 /nfs/dbraw/zinc/15/83/04/264158304.db2.gz RVWMCJUPYWFQTL-ZJIFWQFVSA-N 1 1 291.439 2.695 20 30 CFEDMO CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000331195455 264158707 /nfs/dbraw/zinc/15/87/07/264158707.db2.gz RVWMCJUPYWFQTL-JJXSEGSLSA-N 1 1 291.439 2.695 20 30 CFEDMO CNC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c1 ZINC000331310414 264186580 /nfs/dbraw/zinc/18/65/80/264186580.db2.gz GOFZCGJQXQUAHR-XJKSGUPXSA-N 1 1 290.407 2.746 20 30 CFEDMO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000424866553 264240289 /nfs/dbraw/zinc/24/02/89/264240289.db2.gz OUJWUKGTMSBYON-CYBMUJFWSA-N 1 1 252.402 2.530 20 30 CFEDMO C=CCOc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000126969054 264244605 /nfs/dbraw/zinc/24/46/05/264244605.db2.gz QFAPVRMNRLRKGN-KBPBESRZSA-N 1 1 261.365 2.861 20 30 CFEDMO CC[C@]1(CO)CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000189650913 264317607 /nfs/dbraw/zinc/31/76/07/264317607.db2.gz XCZDMFSKVMZHGM-MRXNPFEDSA-N 1 1 277.795 2.928 20 30 CFEDMO C=C(C)C[N@H+](C)CC[C@H](C(=O)OC)c1ccccc1 ZINC000425459435 264330674 /nfs/dbraw/zinc/33/06/74/264330674.db2.gz PDDPYVYXNQRUTE-HNNXBMFYSA-N 1 1 261.365 2.841 20 30 CFEDMO N#CC1(F)CC[NH+](Cc2ccc(-c3ccccn3)nc2)CC1 ZINC000425460361 264332836 /nfs/dbraw/zinc/33/28/36/264332836.db2.gz RMDMGHPYISDMPC-UHFFFAOYSA-N 1 1 296.349 2.971 20 30 CFEDMO C=CCCC[N@@H+](C)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000076735607 264343689 /nfs/dbraw/zinc/34/36/89/264343689.db2.gz MCCYEXKDKJFEBS-UHFFFAOYSA-N 1 1 274.364 2.726 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)Nc1cccc(C(C)=O)c1 ZINC000076735607 264343691 /nfs/dbraw/zinc/34/36/91/264343691.db2.gz MCCYEXKDKJFEBS-UHFFFAOYSA-N 1 1 274.364 2.726 20 30 CFEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000076734372 264344085 /nfs/dbraw/zinc/34/40/85/264344085.db2.gz PRSRZCXQJKZDTC-CYBMUJFWSA-N 1 1 292.448 2.919 20 30 CFEDMO CC(C)C[C@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000130355113 264349725 /nfs/dbraw/zinc/34/97/25/264349725.db2.gz FKDMDTJNJATNQN-ZBFHGGJFSA-N 1 1 279.428 2.551 20 30 CFEDMO C=CCN1CC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000096224154 264779987 /nfs/dbraw/zinc/77/99/87/264779987.db2.gz JBZJPPLQKAPFKL-SFHVURJKSA-N 1 1 284.403 2.687 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000185236367 265011502 /nfs/dbraw/zinc/01/15/02/265011502.db2.gz OPHDJVSSWDTZSA-ZDUSSCGKSA-N 1 1 298.390 2.794 20 30 CFEDMO C=CCCC1(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000356205934 266071375 /nfs/dbraw/zinc/07/13/75/266071375.db2.gz AJYOREMKNUSLAO-INIZCTEOSA-N 1 1 290.451 2.923 20 30 CFEDMO C=CCCC1(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)CC1 ZINC000356260005 266082469 /nfs/dbraw/zinc/08/24/69/266082469.db2.gz HJXINKLMINULIV-AWEZNQCLSA-N 1 1 264.413 2.533 20 30 CFEDMO CCN(C(=O)C[NH+]1CCC(C)(C#N)CC1)C1CCCCC1 ZINC000356445461 266116136 /nfs/dbraw/zinc/11/61/36/266116136.db2.gz DHTCZHQELGTNDL-UHFFFAOYSA-N 1 1 291.439 2.793 20 30 CFEDMO C[C@@H]1[C@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CCC[N@H+]1C ZINC000356742729 266167499 /nfs/dbraw/zinc/16/74/99/266167499.db2.gz TVNPCECLCWBQAY-CZUORRHYSA-N 1 1 299.418 2.700 20 30 CFEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000356768463 266172558 /nfs/dbraw/zinc/17/25/58/266172558.db2.gz MDRZQVGGTUKBFB-AWEZNQCLSA-N 1 1 299.418 2.700 20 30 CFEDMO CC[C@@H]1C[C@@H](C[N@@H+](C[C@@H](C)C#N)C2CC2)CCO1 ZINC000356976242 266222887 /nfs/dbraw/zinc/22/28/87/266222887.db2.gz CJJUXOTVGGGDHC-KCQAQPDRSA-N 1 1 250.386 2.816 20 30 CFEDMO C=C(C)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000357533037 266317297 /nfs/dbraw/zinc/31/72/97/266317297.db2.gz RZOOXEWWRKNPBA-QGZVFWFLSA-N 1 1 284.403 2.612 20 30 CFEDMO C=C(C)C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000357533037 266317300 /nfs/dbraw/zinc/31/73/00/266317300.db2.gz RZOOXEWWRKNPBA-QGZVFWFLSA-N 1 1 284.403 2.612 20 30 CFEDMO C=CC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C1CC1 ZINC000357554695 266323495 /nfs/dbraw/zinc/32/34/95/266323495.db2.gz RVXJSSQMPLHFFE-UMVBOHGHSA-N 1 1 264.413 2.578 20 30 CFEDMO C=CC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C1CC1 ZINC000357554695 266323498 /nfs/dbraw/zinc/32/34/98/266323498.db2.gz RVXJSSQMPLHFFE-UMVBOHGHSA-N 1 1 264.413 2.578 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000357748556 266354355 /nfs/dbraw/zinc/35/43/55/266354355.db2.gz RZIGSGYIAFOCBL-LSDHHAIUSA-N 1 1 264.413 2.698 20 30 CFEDMO CC[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)C[C@H](CC)O1 ZINC000398504853 266379162 /nfs/dbraw/zinc/37/91/62/266379162.db2.gz DWSPFRJSQRAWKW-IYBDPMFKSA-N 1 1 288.391 2.826 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cc(C)ccc1C ZINC000357962581 266389958 /nfs/dbraw/zinc/38/99/58/266389958.db2.gz DSQZJTFSHSKRRR-UHFFFAOYSA-N 1 1 286.419 2.936 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cc(C)ccc1C ZINC000357962581 266389960 /nfs/dbraw/zinc/38/99/60/266389960.db2.gz DSQZJTFSHSKRRR-UHFFFAOYSA-N 1 1 286.419 2.936 20 30 CFEDMO Cc1ccc(C)c(C[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000357963145 266389973 /nfs/dbraw/zinc/38/99/73/266389973.db2.gz HDMDUPNBNDCTMT-GOSISDBHSA-N 1 1 299.418 2.544 20 30 CFEDMO Cc1ccc(C)c(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000357963145 266389974 /nfs/dbraw/zinc/38/99/74/266389974.db2.gz HDMDUPNBNDCTMT-GOSISDBHSA-N 1 1 299.418 2.544 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCCC#N)C1 ZINC000360197070 266691385 /nfs/dbraw/zinc/69/13/85/266691385.db2.gz DBELFZGQJGYAFS-CVEARBPZSA-N 1 1 291.439 2.793 20 30 CFEDMO C=CCC[C@H](O)C[N@H+](C)[C@H]1C[C@@H](OC)C1(CC)CC ZINC000362553978 267006723 /nfs/dbraw/zinc/00/67/23/267006723.db2.gz RHBNWPDKCZAVDZ-SOUVJXGZSA-N 1 1 269.429 2.839 20 30 CFEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cnccn1 ZINC000519812302 267015432 /nfs/dbraw/zinc/01/54/32/267015432.db2.gz RIDFFKJFJMJQSD-UHFFFAOYSA-N 1 1 266.348 2.760 20 30 CFEDMO C=CCCc1csc([C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC000362719254 267038355 /nfs/dbraw/zinc/03/83/55/267038355.db2.gz HVSYLZWOXAUYHF-QWHCGFSZSA-N 1 1 264.394 2.797 20 30 CFEDMO C#CCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000362731694 267039826 /nfs/dbraw/zinc/03/98/26/267039826.db2.gz UFDUMJDVXSYAFV-AEFFLSMTSA-N 1 1 270.420 2.852 20 30 CFEDMO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@@H](C)[C@H]1C ZINC000399666131 267047778 /nfs/dbraw/zinc/04/77/78/267047778.db2.gz MVXHMQTUSBJTAW-RDBSUJKOSA-N 1 1 285.391 2.863 20 30 CFEDMO CCCCCCCCC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000363124983 267075489 /nfs/dbraw/zinc/07/54/89/267075489.db2.gz GBBCTTQTHKXBEU-HZPDHXFCSA-N 1 1 296.455 2.716 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCOCC[C@@H]2C)cc1 ZINC000367706076 267110469 /nfs/dbraw/zinc/11/04/69/267110469.db2.gz NHENXCGMOHMLJN-HNNXBMFYSA-N 1 1 273.376 2.700 20 30 CFEDMO C=C(C)CC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000367771380 267116500 /nfs/dbraw/zinc/11/65/00/267116500.db2.gz KYVTXDLFTUTPBZ-UHFFFAOYSA-N 1 1 257.284 2.942 20 30 CFEDMO N#CCC[C@H](C#N)C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000367919324 267127567 /nfs/dbraw/zinc/12/75/67/267127567.db2.gz WXAHAUNEMOOKEP-GFCCVEGCSA-N 1 1 291.786 2.617 20 30 CFEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000399673737 267137887 /nfs/dbraw/zinc/13/78/87/267137887.db2.gz OYSAOQOJBVRCCB-ZOBORPQBSA-N 1 1 285.391 2.862 20 30 CFEDMO CC#CCC[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000368082474 267144533 /nfs/dbraw/zinc/14/45/33/267144533.db2.gz FXUFHVWDIZUAHW-HOCLYGCPSA-N 1 1 277.795 2.761 20 30 CFEDMO CC#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000368485081 267176394 /nfs/dbraw/zinc/17/63/94/267176394.db2.gz DZSFXXJOTISTMF-CABCVRRESA-N 1 1 292.423 2.874 20 30 CFEDMO C=CCNC(=O)C[N@H+]1C[C@H]2CCCC[C@]21c1ccccc1 ZINC000368549467 267183572 /nfs/dbraw/zinc/18/35/72/267183572.db2.gz PSEAQEMHEMCZFF-AEFFLSMTSA-N 1 1 284.403 2.690 20 30 CFEDMO C=CC[C@@H](C)NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000116958218 267194724 /nfs/dbraw/zinc/19/47/24/267194724.db2.gz LGGQZKYUOJMQLU-CABCVRRESA-N 1 1 289.423 2.771 20 30 CFEDMO C[C@H]1OCC[C@]12C[N@@H+](CCCC(C)(C)C#N)C[C@@H](C)O2 ZINC000369389177 267239367 /nfs/dbraw/zinc/23/93/67/267239367.db2.gz MHEUPUARVKLNDI-FMKPAKJESA-N 1 1 280.412 2.585 20 30 CFEDMO C=CCCC[N@@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000369402905 267240605 /nfs/dbraw/zinc/24/06/05/267240605.db2.gz INYMNRRZAWPLQF-UHFFFAOYSA-N 1 1 266.429 2.528 20 30 CFEDMO C=CCCC[N@H+](C)C1CCN(C2CCOCC2)CC1 ZINC000369402905 267240608 /nfs/dbraw/zinc/24/06/08/267240608.db2.gz INYMNRRZAWPLQF-UHFFFAOYSA-N 1 1 266.429 2.528 20 30 CFEDMO Cc1cc(NCCC[N@H+](C)Cc2ccccc2)c(C#N)cn1 ZINC000399732947 267300623 /nfs/dbraw/zinc/30/06/23/267300623.db2.gz MSNIQVCAJGJQDI-UHFFFAOYSA-N 1 1 294.402 2.618 20 30 CFEDMO COC(=O)[C@]1(C)C[N@@H+](CCCCC(C)(C)C#N)C[C@H]1C 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UVTWMRNULWVQRX-INIZCTEOSA-N 1 1 276.424 2.561 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](C[C@H]2C[C@]2(C)Br)C1 ZINC000895102487 618294604 /nfs/dbraw/zinc/29/46/04/618294604.db2.gz WOUNDXWQYXRAOH-UPJWGTAASA-N 1 1 270.214 2.895 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ncccc1C ZINC001024380813 618302553 /nfs/dbraw/zinc/30/25/53/618302553.db2.gz SGJAEVDDLADOGJ-HNNXBMFYSA-N 1 1 287.407 2.550 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc[nH]c1C ZINC001024384880 618304124 /nfs/dbraw/zinc/30/41/24/618304124.db2.gz KYAJUCSYERBRFR-HNNXBMFYSA-N 1 1 289.423 2.874 20 30 CFEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC(C)C1 ZINC001024388042 618304398 /nfs/dbraw/zinc/30/43/98/618304398.db2.gz XHMCLNNXJQXUDP-GPANFISMSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncccc1C ZINC001024384458 618304659 /nfs/dbraw/zinc/30/46/59/618304659.db2.gz CTQWHMIPSMWCKK-OAHLLOKOSA-N 1 1 287.407 2.550 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001024397931 618307588 /nfs/dbraw/zinc/30/75/88/618307588.db2.gz BMXXCAYYAWJILA-HUUCEWRRSA-N 1 1 278.440 2.969 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccsc1C ZINC001024433895 618315000 /nfs/dbraw/zinc/31/50/00/618315000.db2.gz PRKCURKSYMSTSM-CQSZACIVSA-N 1 1 290.432 2.664 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001024455006 618319255 /nfs/dbraw/zinc/31/92/55/618319255.db2.gz IXTXJFXAGZKJGL-IRXDYDNUSA-N 1 1 288.435 2.727 20 30 CFEDMO C#CC[NH2+]CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000018940319 618333130 /nfs/dbraw/zinc/33/31/30/618333130.db2.gz JUVWFHNTQKFCMA-UHFFFAOYSA-N 1 1 280.327 2.640 20 30 CFEDMO N#CC1(C[NH2+]Cc2ccc3oc(=O)oc3c2)CCCC1 ZINC000895133476 618357861 /nfs/dbraw/zinc/35/78/61/618357861.db2.gz KCADLWPJMWVAGS-UHFFFAOYSA-N 1 1 272.304 2.560 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccn2ccccc12 ZINC001024546957 618359947 /nfs/dbraw/zinc/35/99/47/618359947.db2.gz GQKLSIVVPWJLST-OAHLLOKOSA-N 1 1 297.402 2.710 20 30 CFEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928552608 618386812 /nfs/dbraw/zinc/38/68/12/618386812.db2.gz BLENUMJKTVORSH-LBPRGKRZSA-N 1 1 299.399 2.515 20 30 CFEDMO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928552608 618386818 /nfs/dbraw/zinc/38/68/18/618386818.db2.gz BLENUMJKTVORSH-LBPRGKRZSA-N 1 1 299.399 2.515 20 30 CFEDMO C#Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)cc1 ZINC001024588184 618398587 /nfs/dbraw/zinc/39/85/87/618398587.db2.gz WBQIHZUNDIOZIT-GOSISDBHSA-N 1 1 298.430 2.908 20 30 CFEDMO CC[N@@H+](Cc1csc(C#N)c1)[C@H]1CCCOC1 ZINC000895154590 618400557 /nfs/dbraw/zinc/40/05/57/618400557.db2.gz ZCYSEORWQHWGKJ-LBPRGKRZSA-N 1 1 250.367 2.621 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn(CC)c1C ZINC001024617824 618420180 /nfs/dbraw/zinc/42/01/80/618420180.db2.gz LLLLRJYAVFTTMH-HNNXBMFYSA-N 1 1 289.423 2.587 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccnc1C ZINC001024626155 618425593 /nfs/dbraw/zinc/42/55/93/618425593.db2.gz XRTJKWAEQAIVKI-OAHLLOKOSA-N 1 1 287.407 2.550 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024664863 618436917 /nfs/dbraw/zinc/43/69/17/618436917.db2.gz YJIAFFONZALSFT-BRWVUGGUSA-N 1 1 290.451 2.663 20 30 CFEDMO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)c1n[nH]c(=O)n1C ZINC000895178325 618438864 /nfs/dbraw/zinc/43/88/64/618438864.db2.gz ZFKXGLSZQQXQLJ-NEPJUHHUSA-N 1 1 266.389 2.696 20 30 CFEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1csc(Cl)c1 ZINC001024692619 618444212 /nfs/dbraw/zinc/44/42/12/618444212.db2.gz PLKKNPUACDAHGY-LBPRGKRZSA-N 1 1 296.823 2.619 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1csc(Cl)c1 ZINC001024692619 618444214 /nfs/dbraw/zinc/44/42/14/618444214.db2.gz PLKKNPUACDAHGY-LBPRGKRZSA-N 1 1 296.823 2.619 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc(C)c1 ZINC001024710779 618450840 /nfs/dbraw/zinc/45/08/40/618450840.db2.gz YXTQLMFKXRHRLM-CQSZACIVSA-N 1 1 278.421 2.827 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1csc(Cl)n1 ZINC001024745387 618459550 /nfs/dbraw/zinc/45/95/50/618459550.db2.gz VVGWJHXWFHIMMI-SNVBAGLBSA-N 1 1 299.827 2.567 20 30 CFEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1Cl ZINC001024768509 618466242 /nfs/dbraw/zinc/46/62/42/618466242.db2.gz SASPGRLAEQRDNZ-ZDUSSCGKSA-N 1 1 290.794 2.558 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1Cl ZINC001024768509 618466246 /nfs/dbraw/zinc/46/62/46/618466246.db2.gz SASPGRLAEQRDNZ-ZDUSSCGKSA-N 1 1 290.794 2.558 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001024767744 618466321 /nfs/dbraw/zinc/46/63/21/618466321.db2.gz HLQUENNUERDXLG-ZDUSSCGKSA-N 1 1 293.798 2.505 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)ccc1C ZINC001024777983 618468560 /nfs/dbraw/zinc/46/85/60/618468560.db2.gz SDHJJFFIDXYXCT-KRWDZBQOSA-N 1 1 298.430 2.911 20 30 CFEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)c(C)s1 ZINC001024791508 618470433 /nfs/dbraw/zinc/47/04/33/618470433.db2.gz BGZKIIMEKAJQJR-CQSZACIVSA-N 1 1 290.432 2.582 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)c(C)s1 ZINC001024791508 618470437 /nfs/dbraw/zinc/47/04/37/618470437.db2.gz BGZKIIMEKAJQJR-CQSZACIVSA-N 1 1 290.432 2.582 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]Cc1ccccc1OC ZINC000020087190 618472475 /nfs/dbraw/zinc/47/24/75/618472475.db2.gz PSVIKDZOPRTJCP-UHFFFAOYSA-N 1 1 281.355 2.997 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCC=CCC1 ZINC001024804309 618474754 /nfs/dbraw/zinc/47/47/54/618474754.db2.gz CPSRWBFLGZJCAG-QGZVFWFLSA-N 1 1 288.435 2.727 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+]([C@H]2CCC3(C[C@H]2F)OCCO3)C1 ZINC000895337073 618538812 /nfs/dbraw/zinc/53/88/12/618538812.db2.gz DKBDFJBWOOLOCF-KFWWJZLASA-N 1 1 283.387 2.908 20 30 CFEDMO C#CC1(O)CC[NH+](Cc2nc(-c3ccccc3)cs2)CC1 ZINC000895382394 618560753 /nfs/dbraw/zinc/56/07/53/618560753.db2.gz DWSOHDPKPYKXMP-UHFFFAOYSA-N 1 1 298.411 2.770 20 30 CFEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCNC(=O)CC2(C)C)cc1 ZINC000895400324 618569751 /nfs/dbraw/zinc/56/97/51/618569751.db2.gz NYJZTPKVDJOMLM-UHFFFAOYSA-N 1 1 299.418 2.588 20 30 CFEDMO C#CCCCCCC[N@H+]1CCc2nc(COC)ncc2C1 ZINC000895416884 618573517 /nfs/dbraw/zinc/57/35/17/618573517.db2.gz FZBGICIPVBDGNG-UHFFFAOYSA-N 1 1 287.407 2.565 20 30 CFEDMO COC(=O)c1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1C ZINC000895450219 618592626 /nfs/dbraw/zinc/59/26/26/618592626.db2.gz DIDMDAWMIQJMOL-INIZCTEOSA-N 1 1 272.348 2.517 20 30 CFEDMO COC(=O)c1ccc(C[N@H+]2CC[C@@](C)(C#N)C2)cc1C ZINC000895450219 618592627 /nfs/dbraw/zinc/59/26/27/618592627.db2.gz DIDMDAWMIQJMOL-INIZCTEOSA-N 1 1 272.348 2.517 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC=CCC1 ZINC001017799999 618671039 /nfs/dbraw/zinc/67/10/39/618671039.db2.gz JURVVVSJURWLPC-YESZJQIVSA-N 1 1 288.435 2.984 20 30 CFEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001007611555 618715789 /nfs/dbraw/zinc/71/57/89/618715789.db2.gz RTAZCHYHKCPISS-JKSUJKDBSA-N 1 1 276.424 2.890 20 30 CFEDMO Cc1cc(C#N)nc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000892894062 618764475 /nfs/dbraw/zinc/76/44/75/618764475.db2.gz SLIXOUOXQUAODP-AWEZNQCLSA-N 1 1 272.396 2.652 20 30 CFEDMO C#CCC[N@@H+](CCOC)Cc1nsc2ccccc21 ZINC000852749871 618780111 /nfs/dbraw/zinc/78/01/11/618780111.db2.gz INOKKZRZNKEGPB-UHFFFAOYSA-N 1 1 274.389 2.768 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1nsc2ccccc21 ZINC000852749871 618780113 /nfs/dbraw/zinc/78/01/13/618780113.db2.gz INOKKZRZNKEGPB-UHFFFAOYSA-N 1 1 274.389 2.768 20 30 CFEDMO C=CC(C)(C)CC(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000892961889 618783884 /nfs/dbraw/zinc/78/38/84/618783884.db2.gz NZEZLRIRUQRDDZ-OLZOCXBDSA-N 1 1 251.370 2.759 20 30 CFEDMO C[C@@H](CC(C)(C)C#N)NCc1cc(N(C)C)cc[nH+]1 ZINC000926881310 618784204 /nfs/dbraw/zinc/78/42/04/618784204.db2.gz AFHDKYXEHYQSIV-LBPRGKRZSA-N 1 1 260.385 2.566 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001006583809 618830408 /nfs/dbraw/zinc/83/04/08/618830408.db2.gz GQOAVFDTTKQGNF-CYBMUJFWSA-N 1 1 276.355 2.596 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)Cc2cccs2)C1 ZINC001006602489 618872420 /nfs/dbraw/zinc/87/24/20/618872420.db2.gz FXRDPCDPDHSUDF-CQSZACIVSA-N 1 1 292.448 2.837 20 30 CFEDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930607181 618888238 /nfs/dbraw/zinc/88/82/38/618888238.db2.gz LHRJLNAPUSCZEP-HIFRSBDPSA-N 1 1 278.783 2.804 20 30 CFEDMO COc1c(C)c[nH+]c(CN(C)Cc2cncc(C#N)c2)c1C ZINC000930614724 618889816 /nfs/dbraw/zinc/88/98/16/618889816.db2.gz GOBOSRUVKYCRRS-UHFFFAOYSA-N 1 1 296.374 2.606 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001008054517 618909535 /nfs/dbraw/zinc/90/95/35/618909535.db2.gz ZVQPIOJQNUDRCE-MRXNPFEDSA-N 1 1 296.414 2.700 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001008054517 618909537 /nfs/dbraw/zinc/90/95/37/618909537.db2.gz ZVQPIOJQNUDRCE-MRXNPFEDSA-N 1 1 296.414 2.700 20 30 CFEDMO C#Cc1ccc(C(=O)N[C@H]2CCC[N@H+](CCC(C)C)C2)cc1 ZINC001008147208 618922124 /nfs/dbraw/zinc/92/21/24/618922124.db2.gz IGXJFIBPLALXHN-SFHVURJKSA-N 1 1 298.430 2.908 20 30 CFEDMO N#CCC1(COC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000091863045 618924924 /nfs/dbraw/zinc/92/49/24/618924924.db2.gz XWJFLXKLKWKYQX-INIZCTEOSA-N 1 1 298.386 2.888 20 30 CFEDMO N#CCC1(COC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000091863045 618924925 /nfs/dbraw/zinc/92/49/25/618924925.db2.gz XWJFLXKLKWKYQX-INIZCTEOSA-N 1 1 298.386 2.888 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@]2(C)CN(C)C[C@]2(C)C1 ZINC000931310758 618937865 /nfs/dbraw/zinc/93/78/65/618937865.db2.gz MWZRCYSAHMQVJE-ZTFGCOKTSA-N 1 1 283.419 2.893 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cnoc2C(C)C)C1 ZINC001009077187 618977730 /nfs/dbraw/zinc/97/77/30/618977730.db2.gz VZNPYEQORFEZNF-ZDUSSCGKSA-N 1 1 291.395 2.568 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001009158948 618982227 /nfs/dbraw/zinc/98/22/27/618982227.db2.gz CNIJWFVQDHLDNO-GFCCVEGCSA-N 1 1 286.366 2.579 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001009289070 618987733 /nfs/dbraw/zinc/98/77/33/618987733.db2.gz RFSCMDBDBHEDCB-OAHLLOKOSA-N 1 1 290.382 2.904 20 30 CFEDMO Cc1ccc(C[N@@H+]2Cc3c[nH]nc3[C@@H](C)C2)cc1C#N ZINC000931468524 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C[C@@]1(Br)C[C@H]1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000893524120 619035858 /nfs/dbraw/zinc/03/58/58/619035858.db2.gz JOLBYMFYMAHXMV-QJPTWQEYSA-N 1 1 271.202 2.786 20 30 CFEDMO N#CC1(CCCC[N@H+]2CCNC(=O)CC23CCC3)CCC1 ZINC000931620803 619062818 /nfs/dbraw/zinc/06/28/18/619062818.db2.gz PPYHJEJMYKEGML-UHFFFAOYSA-N 1 1 289.423 2.595 20 30 CFEDMO C=CCCCN(CC)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000893612882 619097502 /nfs/dbraw/zinc/09/75/02/619097502.db2.gz BYZOGEKXXFBYMF-MRXNPFEDSA-N 1 1 295.471 2.962 20 30 CFEDMO C=CCc1cc(C[N@H+](C)CCCCOC)c(O)c(OC)c1 ZINC000841692338 619159390 /nfs/dbraw/zinc/15/93/90/619159390.db2.gz VSTFXUBQIATYFV-UHFFFAOYSA-N 1 1 293.407 2.988 20 30 CFEDMO C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)c1cccc(C#N)c1 ZINC000925846067 619177955 /nfs/dbraw/zinc/17/79/55/619177955.db2.gz NXOMHQSLTCQKHC-KBRIMQKVSA-N 1 1 269.392 2.741 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 ZINC000932015763 619179762 /nfs/dbraw/zinc/17/97/62/619179762.db2.gz FGFAFNSILGDQIV-WBVHZDCISA-N 1 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C=CCCC[N@H+](CC)CN1C(=O)C(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000902669996 621148773 /nfs/dbraw/zinc/14/87/73/621148773.db2.gz WLGHBHXAMDNDSF-LSDHHAIUSA-N 1 1 294.439 2.648 20 30 CFEDMO C=CCCC[N@H+](CC)CN1C(=O)CC2(CCCC2)C1=O ZINC000902669978 621148780 /nfs/dbraw/zinc/14/87/80/621148780.db2.gz WBXQWAYCCQEBEY-UHFFFAOYSA-N 1 1 278.396 2.551 20 30 CFEDMO C=CCC[C@H]([NH2+]CCCN(C)C)[C@@]1(C)CCCCO1 ZINC000902720360 621156912 /nfs/dbraw/zinc/15/69/12/621156912.db2.gz IIDFKGFXVOQBBM-JKSUJKDBSA-N 1 1 268.445 2.822 20 30 CFEDMO COc1ccc(OC)c(C[NH2+][C@H](C)c2cc(C#N)ccn2)c1 ZINC000902732256 621160430 /nfs/dbraw/zinc/16/04/30/621160430.db2.gz ZTJSOPZEXWHWAA-GFCCVEGCSA-N 1 1 297.358 2.821 20 30 CFEDMO C[C@@H](NCc1cccc(C[NH+](C)C)c1)c1cc(C#N)ccn1 ZINC000902734383 621161500 /nfs/dbraw/zinc/16/15/00/621161500.db2.gz UQTDNCOYUNLAEH-CQSZACIVSA-N 1 1 294.402 2.866 20 30 CFEDMO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)cn1 ZINC000902750207 621164537 /nfs/dbraw/zinc/16/45/37/621164537.db2.gz BZCOFUAHTVYJEU-ZDUSSCGKSA-N 1 1 296.374 2.986 20 30 CFEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902801378 621173663 /nfs/dbraw/zinc/17/36/63/621173663.db2.gz ABWOPEJOYPNRFU-GOEBONIOSA-N 1 1 286.423 2.868 20 30 CFEDMO CC[C@@H]1CCCCN1CC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902801378 621173665 /nfs/dbraw/zinc/17/36/65/621173665.db2.gz ABWOPEJOYPNRFU-GOEBONIOSA-N 1 1 286.423 2.868 20 30 CFEDMO C=C(C)CN1CCC([NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902795275 621178728 /nfs/dbraw/zinc/17/87/28/621178728.db2.gz CTZDDGNWBTZOJU-AWEZNQCLSA-N 1 1 284.407 2.644 20 30 CFEDMO CCCn1cc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)nn1 ZINC000902827691 621183002 /nfs/dbraw/zinc/18/30/02/621183002.db2.gz MZIJVTWXZAVYNJ-OLZOCXBDSA-N 1 1 283.379 2.972 20 30 CFEDMO COCCc1cc[nH+]c(N[C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902987296 621218175 /nfs/dbraw/zinc/21/81/75/621218175.db2.gz MMYGXHCNHDNOTB-LBPRGKRZSA-N 1 1 282.347 2.710 20 30 CFEDMO N#CC1(CCC[N@@H+]2CCC[C@H](F)C2)CCOCC1 ZINC000902994660 621220339 /nfs/dbraw/zinc/22/03/39/621220339.db2.gz GVZUXGYHWWFIMY-ZDUSSCGKSA-N 1 1 254.349 2.521 20 30 CFEDMO CC[C@@H](NC[C@H](C)C[NH+](C)C)c1cccc(C#N)c1 ZINC000902998726 621224476 /nfs/dbraw/zinc/22/44/76/621224476.db2.gz HOWWYIZXDPUIJM-XJKSGUPXSA-N 1 1 259.397 2.797 20 30 CFEDMO CC[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccc(C#N)c1 ZINC000903005767 621227745 /nfs/dbraw/zinc/22/77/45/621227745.db2.gz ZMSKXCCMERUSBH-CQSZACIVSA-N 1 1 281.363 2.795 20 30 CFEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000903035396 621230973 /nfs/dbraw/zinc/23/09/73/621230973.db2.gz OCGULFBQFAIBER-ZDUSSCGKSA-N 1 1 285.391 2.733 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903023958 621234048 /nfs/dbraw/zinc/23/40/48/621234048.db2.gz RPFXUHPRYVJMPP-CQSZACIVSA-N 1 1 287.411 2.683 20 30 CFEDMO C[C@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(C#N)ccn1 ZINC000903058459 621236690 /nfs/dbraw/zinc/23/66/90/621236690.db2.gz HHHNZBUOGHSZAQ-WMLDXEAASA-N 1 1 298.434 2.726 20 30 CFEDMO CC(C)[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1nncn1C ZINC000903066776 621239329 /nfs/dbraw/zinc/23/93/29/621239329.db2.gz XFMAJFUUNZRTBA-WFASDCNBSA-N 1 1 283.379 2.735 20 30 CFEDMO C=CC[NH+]1CCC(N[C@@H](c2ccccn2)C2CC2)CC1 ZINC000903091053 621249419 /nfs/dbraw/zinc/24/94/19/621249419.db2.gz MBTOMVIJMILPGG-QGZVFWFLSA-N 1 1 271.408 2.773 20 30 CFEDMO COCc1cc([C@H](C)[NH2+]CC2(C#N)CC2)ccc1OC ZINC000903101653 621253271 /nfs/dbraw/zinc/25/32/71/621253271.db2.gz KLQFSNJCNLQGFS-LBPRGKRZSA-N 1 1 274.364 2.796 20 30 CFEDMO COc1ccc2c(c1)[C@@H]([NH2+]CC1(C#N)CC1)CCC2 ZINC000903101784 621253572 /nfs/dbraw/zinc/25/35/72/621253572.db2.gz MBRAKWKDWAFFKL-HNNXBMFYSA-N 1 1 256.349 2.966 20 30 CFEDMO Cc1c([C@H](C)[NH2+]CC2(C#N)CC2)cnn1C(C)(C)C ZINC000903106379 621255549 /nfs/dbraw/zinc/25/55/49/621255549.db2.gz OSBAGNJQRPDUKX-NSHDSACASA-N 1 1 260.385 2.901 20 30 CFEDMO C=CCC[C@@H](NC[C@@H](O)C[NH+](C)C)c1cccc(Cl)c1 ZINC000903091969 621257509 /nfs/dbraw/zinc/25/75/09/621257509.db2.gz 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/nfs/dbraw/zinc/67/96/52/621679652.db2.gz BBRALQVGJFFELT-AYCSXLNKSA-N 1 1 296.798 2.575 20 30 CFEDMO CC(C)[N@H+](C)Cc1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000905059714 621695560 /nfs/dbraw/zinc/69/55/60/621695560.db2.gz VWLQINLLQFCWBU-UHFFFAOYSA-N 1 1 289.770 2.633 20 30 CFEDMO CC(C)[N@@H+](C)Cc1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000905059714 621695564 /nfs/dbraw/zinc/69/55/64/621695564.db2.gz VWLQINLLQFCWBU-UHFFFAOYSA-N 1 1 289.770 2.633 20 30 CFEDMO CC[N@@H+]1[C@H](C)CN(C(=O)Nc2ccc(C#N)cc2)C[C@@H]1C ZINC000905162667 621716149 /nfs/dbraw/zinc/71/61/49/621716149.db2.gz UCBNEBCGUGFREA-BETUJISGSA-N 1 1 286.379 2.505 20 30 CFEDMO C=C[C@@H](Cc1nc(C2([NH3+])CC2)no1)c1ccccc1 ZINC000905323694 621742696 /nfs/dbraw/zinc/74/26/96/621742696.db2.gz GSKQCTNNMIBXMR-NSHDSACASA-N 1 1 255.321 2.530 20 30 CFEDMO C=CC[C@H]([NH2+]CC1CCC2(CC2)CC1)C(=O)OC ZINC000905778545 621845964 /nfs/dbraw/zinc/84/59/64/621845964.db2.gz RVRHAQCULIJILF-ZDUSSCGKSA-N 1 1 251.370 2.664 20 30 CFEDMO C=CC[C@@H]([NH2+]CC1CC(c2ccccc2)C1)C(=O)OC 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C[N@H+]1CCCC[C@H]1CCON=CC(=O)Nc1ccccc1 ZINC000906502400 621998934 /nfs/dbraw/zinc/99/89/34/621998934.db2.gz RORDKZFXPXLJBW-HNNXBMFYSA-N 1 1 289.379 2.502 20 30 CFEDMO C=CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)C ZINC000906567774 622011497 /nfs/dbraw/zinc/01/14/97/622011497.db2.gz OLJUHXNOOIZHCC-CQSZACIVSA-N 1 1 252.402 2.531 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)N(CCC#N)CC(C)(C)C)C1 ZINC000906582487 622014216 /nfs/dbraw/zinc/01/42/16/622014216.db2.gz MXOGPEKADWJOQX-OAHLLOKOSA-N 1 1 293.455 2.897 20 30 CFEDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(C)c1C#N ZINC000906792170 622048087 /nfs/dbraw/zinc/04/80/87/622048087.db2.gz NBUFAYSSVKHXGX-ZBFHGGJFSA-N 1 1 299.418 2.730 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C#N)C2CCCCC2)C1 ZINC000906903485 622060790 /nfs/dbraw/zinc/06/07/90/622060790.db2.gz XYAFXNIOXIXBOQ-HOTGVXAUSA-N 1 1 291.439 2.697 20 30 CFEDMO CNc1ccc(C#N)cc1NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000907931382 622171945 /nfs/dbraw/zinc/17/19/45/622171945.db2.gz CCJFDCFJBUCUTF-XJKSGUPXSA-N 1 1 298.390 2.555 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N1CCC[N@H+](CC)C[C@@H]1C ZINC000910281380 622424557 /nfs/dbraw/zinc/42/45/57/622424557.db2.gz XKJHWIWNUWYZMB-ZFWWWQNUSA-N 1 1 252.402 2.531 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC34CC4)CCC[C@@H]12 ZINC000991362615 622603074 /nfs/dbraw/zinc/60/30/74/622603074.db2.gz RUJFMNYHLITPDT-HDMKZQKVSA-N 1 1 288.435 2.866 20 30 CFEDMO C=CCC[C@@H]1CCCN1C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000912045145 622617673 /nfs/dbraw/zinc/61/76/73/622617673.db2.gz LHHKVZRMORPEFP-XHSDSOJGSA-N 1 1 291.439 2.753 20 30 CFEDMO C=CCCSCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000912379060 622697281 /nfs/dbraw/zinc/69/72/81/622697281.db2.gz MNOADACISOLIIJ-CQSZACIVSA-N 1 1 284.469 2.534 20 30 CFEDMO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000912389522 622703812 /nfs/dbraw/zinc/70/38/12/622703812.db2.gz UNHVTPADEYDGIF-OAGGEKHMSA-N 1 1 276.424 2.818 20 30 CFEDMO C=CCC1(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CCCC1 ZINC000912522573 622738709 /nfs/dbraw/zinc/73/87/09/622738709.db2.gz OMUXQPAPIMUEMC-ZDUSSCGKSA-N 1 1 264.413 2.864 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)Cc3ccccc3)CCC[C@@H]12 ZINC000991412493 622786290 /nfs/dbraw/zinc/78/62/90/622786290.db2.gz CELDMXQWOJPCJZ-MJGOQNOKSA-N 1 1 298.430 2.918 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)Cc3ccccc3)CCC[C@H]12 ZINC000991413217 622786715 /nfs/dbraw/zinc/78/67/15/622786715.db2.gz FBJUBTICMXZJOQ-PKOBYXMFSA-N 1 1 298.430 2.918 20 30 CFEDMO C=CC(C)(C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000912974796 622809453 /nfs/dbraw/zinc/80/94/53/622809453.db2.gz XEVKPRWCRXMAQD-UONOGXRCSA-N 1 1 264.413 2.722 20 30 CFEDMO C=CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC000912983696 622812266 /nfs/dbraw/zinc/81/22/66/622812266.db2.gz GFAZZLTZXKMDPV-GJZGRUSLSA-N 1 1 264.413 2.533 20 30 CFEDMO C=CCC1(C(=O)O[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000821000082 622816539 /nfs/dbraw/zinc/81/65/39/622816539.db2.gz XVKGZNLAVZLKBD-CABCVRRESA-N 1 1 293.407 2.529 20 30 CFEDMO CN(C)c1[nH+]cc(/C=C2\CCc3ccccc3C2=O)n1C ZINC000821028312 622824710 /nfs/dbraw/zinc/82/47/10/622824710.db2.gz RFMGORSCUZUJJY-JLHYYAGUSA-N 1 1 281.359 2.699 20 30 CFEDMO CN(C)c1[nH+]cc(/C=C2/CCc3ccccc3C2=O)n1C ZINC000821028314 622825341 /nfs/dbraw/zinc/82/53/41/622825341.db2.gz RFMGORSCUZUJJY-RAXLEYEMSA-N 1 1 281.359 2.699 20 30 CFEDMO CCCN(CCC)C(=O)CO[NH+]=C(N)C1CCCCC1 ZINC000151306399 622885198 /nfs/dbraw/zinc/88/51/98/622885198.db2.gz UBIDMHVTUVSADL-UHFFFAOYSA-N 1 1 283.416 2.504 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc2nonc2c1 ZINC000821343004 622899361 /nfs/dbraw/zinc/89/93/61/622899361.db2.gz SYRPQPUOWJROGW-UHFFFAOYSA-N 1 1 278.315 2.726 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2CCOC(C)(C)C2)c1O ZINC000164010229 622932894 /nfs/dbraw/zinc/93/28/94/622932894.db2.gz FLKPYNWYQTWUMC-UHFFFAOYSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+](C)[C@H](C)CC#N)c1O ZINC000164291365 622948070 /nfs/dbraw/zinc/94/80/70/622948070.db2.gz PTZFTHPJMLNAET-GFCCVEGCSA-N 1 1 274.364 2.863 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+](C)[C@H](C)CC#N)c1O ZINC000164291365 622948074 /nfs/dbraw/zinc/94/80/74/622948074.db2.gz PTZFTHPJMLNAET-GFCCVEGCSA-N 1 1 274.364 2.863 20 30 CFEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)C3(F)CCCC3)CCC[C@H]12 ZINC000991505410 622950711 /nfs/dbraw/zinc/95/07/11/622950711.db2.gz SLGCBGUQXNMENS-YOEHRIQHSA-N 1 1 294.414 2.958 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(CC#N)c1 ZINC000821953451 623012088 /nfs/dbraw/zinc/01/20/88/623012088.db2.gz QCXSTPNJDGKPCE-OAHLLOKOSA-N 1 1 271.364 2.564 20 30 CFEDMO CC[NH+](CC)C[C@H](C)N[C@@H](C)c1ccc(OCC#N)cc1 ZINC000045692405 623012992 /nfs/dbraw/zinc/01/29/92/623012992.db2.gz PXTXPWYZBTUJFL-GJZGRUSLSA-N 1 1 289.423 2.970 20 30 CFEDMO COc1ccc2c(C[NH+]3CCC(C#N)CC3)cc(=O)oc2c1 ZINC000057907837 623019093 /nfs/dbraw/zinc/01/90/93/623019093.db2.gz WIHKHKVDFGCBOL-UHFFFAOYSA-N 1 1 298.342 2.537 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N1CCC[N@@H+](CC)C[C@H]1C ZINC000822569391 623128202 /nfs/dbraw/zinc/12/82/02/623128202.db2.gz SHFOMSIVRHPCHF-KGLIPLIRSA-N 1 1 252.402 2.531 20 30 CFEDMO Cc1cccc(-c2noc([C@H]([NH3+])CCCC#N)n2)c1 ZINC000822653955 623143417 /nfs/dbraw/zinc/14/34/17/623143417.db2.gz GVFQGBCVTDSFBW-GFCCVEGCSA-N 1 1 256.309 2.739 20 30 CFEDMO C=C(Br)C[NH2+]Cc1ccc(OC)cc1F ZINC000228601072 623152240 /nfs/dbraw/zinc/15/22/40/623152240.db2.gz MUHSKSWFRQIXBC-UHFFFAOYSA-N 1 1 274.133 2.833 20 30 CFEDMO Cc1ccc(C)c(Cc2noc([C@@H]([NH3+])CCCC#N)n2)c1 ZINC000822700399 623154661 /nfs/dbraw/zinc/15/46/61/623154661.db2.gz DQLPPLSSRMRRHL-AWEZNQCLSA-N 1 1 284.363 2.971 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000822723110 623160214 /nfs/dbraw/zinc/16/02/14/623160214.db2.gz QCMTZBIYPJBTLH-GFCCVEGCSA-N 1 1 292.289 2.632 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc(-c2cccc3[nH]ccc32)no1 ZINC000822729096 623161600 /nfs/dbraw/zinc/16/16/00/623161600.db2.gz RNJDFPDZXGVZQJ-LBPRGKRZSA-N 1 1 281.319 2.912 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000170652815 623171710 /nfs/dbraw/zinc/17/17/10/623171710.db2.gz XZEFYKORMMZNDT-ZDUSSCGKSA-N 1 1 268.401 2.894 20 30 CFEDMO CCCCCCCCc1nnc(NC(=O)C[NH+](C)C)s1 ZINC000170752105 623180539 /nfs/dbraw/zinc/18/05/39/623180539.db2.gz GAWWBPFLXOPREG-UHFFFAOYSA-N 1 1 298.456 2.941 20 30 CFEDMO N#Cc1cc(F)ccc1CO[NH+]=C(N)C1CCCC1 ZINC000171368418 623219645 /nfs/dbraw/zinc/21/96/45/623219645.db2.gz SGCYRYOCMBCNBK-UHFFFAOYSA-N 1 1 261.300 2.676 20 30 CFEDMO C[C@@H](CNCc1cccc(C#N)c1)[NH+]1CCC(C)CC1 ZINC000062423489 623272218 /nfs/dbraw/zinc/27/22/18/623272218.db2.gz HEXNVPSWEYPYSU-HNNXBMFYSA-N 1 1 271.408 2.768 20 30 CFEDMO COc1ccc(C[NH2+][C@@H](C)c2nccs2)cc1C#N ZINC000087824424 623277815 /nfs/dbraw/zinc/27/78/15/623277815.db2.gz HZQMBHHZXLULAF-JTQLQIEISA-N 1 1 273.361 2.874 20 30 CFEDMO CC(C)CCC(N)=[NH+]OCC(=O)N(C1CC1)C1CCCC1 ZINC000174129056 623395028 /nfs/dbraw/zinc/39/50/28/623395028.db2.gz IEKIYOLEEYCGDL-UHFFFAOYSA-N 1 1 295.427 2.645 20 30 CFEDMO C#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](CCC)CC3)cc1 ZINC000992097778 623454477 /nfs/dbraw/zinc/45/44/77/623454477.db2.gz DQYCWQFPFPOLKC-IEBWSBKVSA-N 1 1 296.414 2.805 20 30 CFEDMO CCC[N@@H+](CC1CCC(C#N)CC1)CC(C)(C)O ZINC000929525383 623457041 /nfs/dbraw/zinc/45/70/41/623457041.db2.gz GFYRGIUGOHDOLD-UHFFFAOYSA-N 1 1 252.402 2.799 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)CCC[C@H]12 ZINC000992117040 623459083 /nfs/dbraw/zinc/45/90/83/623459083.db2.gz IKFPNCNPZBALPQ-QXUSFIETSA-N 1 1 288.435 2.722 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC3(C)C)CCC[C@@H]12 ZINC000992124409 623462026 /nfs/dbraw/zinc/46/20/26/623462026.db2.gz ZZJKHZJAKJZQMI-CKEIUWERSA-N 1 1 276.424 2.722 20 30 CFEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)CCC[C@H]12 ZINC000992134041 623464890 /nfs/dbraw/zinc/46/48/90/623464890.db2.gz XDWIBQLMIABBGV-QXUSFIETSA-N 1 1 288.435 2.722 20 30 CFEDMO C#C[C@H]([NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21)[C@@H]1CCCO1 ZINC000824196357 623467659 /nfs/dbraw/zinc/46/76/59/623467659.db2.gz QKSKIBVTRPAOCR-XQQFMLRXSA-N 1 1 295.304 2.862 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)[C@H]1CCCO1 ZINC000824196713 623467902 /nfs/dbraw/zinc/46/79/02/623467902.db2.gz WFGFOMHPEFDZMT-ZIAGYGMSSA-N 1 1 290.750 2.752 20 30 CFEDMO C#C[C@H](C)[N@H+](C)C[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000824297827 623486325 /nfs/dbraw/zinc/48/63/25/623486325.db2.gz ZIOJEYUYPHKUQX-KBPBESRZSA-N 1 1 282.428 2.737 20 30 CFEDMO Cc1ccc(C#N)cc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000824368671 623496638 /nfs/dbraw/zinc/49/66/38/623496638.db2.gz TXQFNMWNMIWSPB-DLBZAZTESA-N 1 1 297.402 2.613 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)[nH]c3C)CCC[C@@H]12 ZINC000992279809 623504753 /nfs/dbraw/zinc/50/47/53/623504753.db2.gz ZFQVRDHDYURIQZ-WBVHZDCISA-N 1 1 287.407 2.544 20 30 CFEDMO CCC[N@@H+](Cc1cncc(C#N)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000929695806 623513232 /nfs/dbraw/zinc/51/32/32/623513232.db2.gz HXGWDRMERIYOFN-ZACQAIPSSA-N 1 1 299.418 2.979 20 30 CFEDMO C=CCOc1cccc(C[NH2+][C@H]2CCn3ccnc32)c1 ZINC000824522405 623515310 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C#CC[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000829779452 624534629 /nfs/dbraw/zinc/53/46/29/624534629.db2.gz UZTKKCRRCQYGMT-CQSZACIVSA-N 1 1 288.347 2.709 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2noc3c2CCCC3)C1 ZINC000829783807 624536499 /nfs/dbraw/zinc/53/64/99/624536499.db2.gz CFCKGSSMTGSQJQ-CYBMUJFWSA-N 1 1 258.365 2.789 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000829785386 624536721 /nfs/dbraw/zinc/53/67/21/624536721.db2.gz VIKUHZYJIOZBFL-WBVHZDCISA-N 1 1 257.377 2.764 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OC(C)=O)cc2)C1 ZINC000829805419 624546157 /nfs/dbraw/zinc/54/61/57/624546157.db2.gz SXXNDQCUYYEOGR-HNNXBMFYSA-N 1 1 271.360 2.847 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000829805180 624547178 /nfs/dbraw/zinc/54/71/78/624547178.db2.gz QGYSGTKLVRALNQ-AWEZNQCLSA-N 1 1 253.349 2.570 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2C(F)F)C1 ZINC000829810330 624548902 /nfs/dbraw/zinc/54/89/02/624548902.db2.gz OCESRPWUUNWTEI-LLVKDONJSA-N 1 1 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Cc1nnc(-c2cccc(C#N)c2)n1C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000174952541 624917055 /nfs/dbraw/zinc/91/70/55/624917055.db2.gz VGRNMJYSSYEKER-STQMWFEESA-N 1 1 295.390 2.813 20 30 CFEDMO C=C1CCC(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000830991096 624948756 /nfs/dbraw/zinc/94/87/56/624948756.db2.gz SOLQPBMEENPCMD-OAHLLOKOSA-N 1 1 287.407 2.617 20 30 CFEDMO C=C(C)C[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831231871 624975763 /nfs/dbraw/zinc/97/57/63/624975763.db2.gz CGTDVDOMNURJTH-UHFFFAOYSA-N 1 1 254.374 2.550 20 30 CFEDMO C#CC[N@H+](Cc1cc(OC)ccc1O)C1CCCC1 ZINC000180585757 625029182 /nfs/dbraw/zinc/02/91/82/625029182.db2.gz VZBDTWQKZXLGOI-UHFFFAOYSA-N 1 1 259.349 2.779 20 30 CFEDMO CO[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C[C@@H]1C ZINC000831527017 625041967 /nfs/dbraw/zinc/04/19/67/625041967.db2.gz BDCUSKSDXPCLET-YOEHRIQHSA-N 1 1 288.391 2.684 20 30 CFEDMO C[C@H]1CC(N=Nc2ccc(Br)cc2)C[N@H+]1C ZINC000761804285 626859540 /nfs/dbraw/zinc/85/95/40/626859540.db2.gz NHRQTUSGUMYSEQ-VIFPVBQESA-N 1 1 282.185 2.941 20 30 CFEDMO C#CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000185909350 625801419 /nfs/dbraw/zinc/80/14/19/625801419.db2.gz ONONMPXKVVSAPK-OAHLLOKOSA-N 1 1 278.440 2.520 20 30 CFEDMO C[C@H]1C[N@H+](Cc2ccccc2)CC1=NNCC(F)(F)F ZINC000769825315 625930926 /nfs/dbraw/zinc/93/09/26/625930926.db2.gz QHSWBAHRRRFXEP-NSHDSACASA-N 1 1 285.313 2.646 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NNCC(F)(F)F ZINC000769825315 625930929 /nfs/dbraw/zinc/93/09/29/625930929.db2.gz QHSWBAHRRRFXEP-NSHDSACASA-N 1 1 285.313 2.646 20 30 CFEDMO Nc1ccc2c(n1)CCCC2=[NH+]NCCc1ccccc1F ZINC000834961980 625934735 /nfs/dbraw/zinc/93/47/35/625934735.db2.gz PARZLXKVALHDKZ-UHFFFAOYSA-N 1 1 298.365 2.676 20 30 CFEDMO COc1ccc(N[NH+]=C2CCCc3nc(N)ccc32)cc1 ZINC000834965723 625936158 /nfs/dbraw/zinc/93/61/58/625936158.db2.gz HNFCHYHASWLRJR-UHFFFAOYSA-N 1 1 282.347 2.825 20 30 CFEDMO COc1ccccc1CO[NH+]=C1CCCc2nc(N)ccc21 ZINC000834975912 625941755 /nfs/dbraw/zinc/94/17/55/625941755.db2.gz SJBAZMLHAIWGEW-UHFFFAOYSA-N 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296.414 2.743 20 30 CFEDMO C#CCNC(=O)C[N@H+]1CC2(CCCCC2)[C@H]1c1ccccc1 ZINC000839186506 626530171 /nfs/dbraw/zinc/53/01/71/626530171.db2.gz MSNJGJLGPHJPTA-GOSISDBHSA-N 1 1 296.414 2.743 20 30 CFEDMO C#C[C@@H]1COCC[N@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000839188621 626530307 /nfs/dbraw/zinc/53/03/07/626530307.db2.gz FRJQOUFUIMBUCK-WXRRBKDZSA-N 1 1 275.314 2.689 20 30 CFEDMO C#C[C@@H]1COCC[N@@H+]1CC1CCC(C(F)(F)F)CC1 ZINC000839188621 626530308 /nfs/dbraw/zinc/53/03/08/626530308.db2.gz FRJQOUFUIMBUCK-WXRRBKDZSA-N 1 1 275.314 2.689 20 30 CFEDMO CCC[NH+](CCC)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000839466161 626537532 /nfs/dbraw/zinc/53/75/32/626537532.db2.gz VIABGABZNGLVHX-OAHLLOKOSA-N 1 1 274.364 2.894 20 30 CFEDMO C[C@H]1CCC(C)(C)[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886239432 626538638 /nfs/dbraw/zinc/53/86/38/626538638.db2.gz WVGATATWCDETMO-STQMWFEESA-N 1 1 250.386 2.694 20 30 CFEDMO C#CCC1(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)CCCCC1 ZINC000788160240 626538803 /nfs/dbraw/zinc/53/88/03/626538803.db2.gz 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C=CCC[N@H+](C)CN1C[C@H](c2ccc(C)cc2)CC1=O ZINC000786100689 628937076 /nfs/dbraw/zinc/93/70/76/628937076.db2.gz DGMRMFTUDYHBID-MRXNPFEDSA-N 1 1 272.392 2.776 20 30 CFEDMO C=CCC[N@@H+](C)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000786100904 628937107 /nfs/dbraw/zinc/93/71/07/628937107.db2.gz CCDTYWGHEBVCAV-HNNXBMFYSA-N 1 1 274.364 2.515 20 30 CFEDMO C=CCC[N@H+](C)CN1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000786100904 628937109 /nfs/dbraw/zinc/93/71/09/628937109.db2.gz CCDTYWGHEBVCAV-HNNXBMFYSA-N 1 1 274.364 2.515 20 30 CFEDMO C=C(C)COC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786325979 628948212 /nfs/dbraw/zinc/94/82/12/628948212.db2.gz ODNBZQSSCSRVFR-UHFFFAOYSA-N 1 1 293.273 2.938 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)NC1CCCCCCC1 ZINC000786442462 628956849 /nfs/dbraw/zinc/95/68/49/628956849.db2.gz GRNJHQBHMKMUBW-UHFFFAOYSA-N 1 1 252.402 2.723 20 30 CFEDMO N#CCCCCOC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000786813284 628980363 /nfs/dbraw/zinc/98/03/63/628980363.db2.gz IZIGZYLSWPIGGD-UHFFFAOYSA-N 1 1 286.375 2.672 20 30 CFEDMO 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N#CCOc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000852319074 634719350 /nfs/dbraw/zinc/71/93/50/634719350.db2.gz GIOLGOGRYKLMMG-AWEZNQCLSA-N 1 1 269.348 2.715 20 30 CFEDMO CC(C)(C)OC1CC([N@H+]2CCC[C@H](CC#N)C2)C1 ZINC000852319287 634719468 /nfs/dbraw/zinc/71/94/68/634719468.db2.gz JKSYNCYLECUCLI-IYXRBSQSSA-N 1 1 250.386 2.958 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)cc1 ZINC000790935552 629272377 /nfs/dbraw/zinc/27/23/77/629272377.db2.gz ZTKVXPBQJDQUPI-DOTOQJQBSA-N 1 1 287.403 2.824 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)cc1 ZINC000790935555 629272380 /nfs/dbraw/zinc/27/23/80/629272380.db2.gz ZTKVXPBQJDQUPI-WBVHZDCISA-N 1 1 287.403 2.824 20 30 CFEDMO Cc1c(C[N@H+](C)Cc2ccc(O[C@H](C)C#N)cc2)cnn1C ZINC000790937066 629272465 /nfs/dbraw/zinc/27/24/65/629272465.db2.gz FHUBUMKPBHKPMN-CYBMUJFWSA-N 1 1 298.390 2.651 20 30 CFEDMO CCCCCCC[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000791586860 629337183 /nfs/dbraw/zinc/33/71/83/629337183.db2.gz ZJBXKARZDKVPSQ-CABCVRRESA-N 1 1 255.402 2.837 20 30 CFEDMO C#C[C@H](CCC)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000791744973 629351815 /nfs/dbraw/zinc/35/18/15/629351815.db2.gz JGDXJPVODMCGSC-SJORKVTESA-N 1 1 284.403 2.569 20 30 CFEDMO C=CC[N@@H+](C[C@H](O)c1ccc(F)cc1C)[C@@H](C)COC ZINC000852358130 634732212 /nfs/dbraw/zinc/73/22/12/634732212.db2.gz NOCAPJGPXNOSSH-BBRMVZONSA-N 1 1 281.371 2.690 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)OCCC[NH+]1CCN(C(C)C)CC1 ZINC000792133522 629401641 /nfs/dbraw/zinc/40/16/41/629401641.db2.gz RINIKHBCJWBPBX-INIZCTEOSA-N 1 1 296.455 2.548 20 30 CFEDMO FC(F)(F)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000792264544 629415219 /nfs/dbraw/zinc/41/52/19/629415219.db2.gz RVDOCEOZUPCNQW-ZDUSSCGKSA-N 1 1 253.267 2.922 20 30 CFEDMO FC(F)(F)[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000792264544 629415223 /nfs/dbraw/zinc/41/52/23/629415223.db2.gz RVDOCEOZUPCNQW-ZDUSSCGKSA-N 1 1 253.267 2.922 20 30 CFEDMO C#CC[N@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1C ZINC000792301220 629419004 /nfs/dbraw/zinc/41/90/04/629419004.db2.gz CZISDOSNZOSHKV-MRXNPFEDSA-N 1 1 289.419 2.597 20 30 CFEDMO Cc1ccc2c(c1)CC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000792313725 629419911 /nfs/dbraw/zinc/41/99/11/629419911.db2.gz ZCALUMKGSOTALD-LJQANCHMSA-N 1 1 292.382 2.958 20 30 CFEDMO C#C[C@@H](CC)[NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000792643547 629441950 /nfs/dbraw/zinc/44/19/50/629441950.db2.gz RVINECBYVAQSOZ-IRXDYDNUSA-N 1 1 284.403 2.742 20 30 CFEDMO C=C(C)C[N@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000792920904 629465515 /nfs/dbraw/zinc/46/55/15/629465515.db2.gz GMPVFBXQUZUKRD-STQMWFEESA-N 1 1 286.391 2.842 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000792920904 629465517 /nfs/dbraw/zinc/46/55/17/629465517.db2.gz GMPVFBXQUZUKRD-STQMWFEESA-N 1 1 286.391 2.842 20 30 CFEDMO C[C@]1(C=[NH+]n2cc(Br)cn2)CCCS1 ZINC000793035592 629478514 /nfs/dbraw/zinc/47/85/14/629478514.db2.gz YJBAWLAHHNPBHB-SECBINFHSA-N 1 1 274.187 2.765 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](CCNC(=O)OC(C)(C)C)C1 ZINC000852411356 634741030 /nfs/dbraw/zinc/74/10/30/634741030.db2.gz SPYOOOVYEKTEOG-CYBMUJFWSA-N 1 1 268.401 2.799 20 30 CFEDMO C[N@@H+](CC1CCCC1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793489140 629556058 /nfs/dbraw/zinc/55/60/58/629556058.db2.gz CFILEJBZFXCVHQ-UHFFFAOYSA-N 1 1 299.418 2.678 20 30 CFEDMO CC(C)[C@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793506103 629557544 /nfs/dbraw/zinc/55/75/44/629557544.db2.gz SDDUNZNQIZVVHJ-AWEZNQCLSA-N 1 1 299.418 2.534 20 30 CFEDMO CC(C)[C@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C1 ZINC000793506103 629557547 /nfs/dbraw/zinc/55/75/47/629557547.db2.gz SDDUNZNQIZVVHJ-AWEZNQCLSA-N 1 1 299.418 2.534 20 30 CFEDMO CC[C@@H]1[C@H](C)CC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793515696 629559706 /nfs/dbraw/zinc/55/97/06/629559706.db2.gz KPNUHGZPSIMDJK-CXAGYDPISA-N 1 1 299.418 2.677 20 30 CFEDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)n(C)n1 ZINC000793527202 629561940 /nfs/dbraw/zinc/56/19/40/629561940.db2.gz ONODBOXWUYPEQI-NSHDSACASA-N 1 1 272.327 2.590 20 30 CFEDMO C=CCC[C@@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000835267096 629577876 /nfs/dbraw/zinc/57/78/76/629577876.db2.gz HRISDNXIROZCKC-GFCCVEGCSA-N 1 1 271.320 2.779 20 30 CFEDMO CC[C@@H]1CC[N@H+]1Cn1c(C)nnc1-c1cccc(C#N)c1 ZINC000793825400 629598735 /nfs/dbraw/zinc/59/87/35/629598735.db2.gz YLUUUQSTIWDSDF-OAHLLOKOSA-N 1 1 281.363 2.567 20 30 CFEDMO C=CCCOCCCCC(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810843042 629616257 /nfs/dbraw/zinc/61/62/57/629616257.db2.gz VBJDCTDFHMSSQK-JKSUJKDBSA-N 1 1 295.423 2.919 20 30 CFEDMO CC(C)C[C@@H]1CCCC(=NN2CC[NH+](C)CC2)C1 ZINC000794445429 629647057 /nfs/dbraw/zinc/64/70/57/629647057.db2.gz NHBRHOBBSQKTPQ-AWEZNQCLSA-N 1 1 251.418 2.826 20 30 CFEDMO C[C@@H]([NH2+]Cc1cccnc1F)c1cccc(C#N)c1 ZINC000794836150 629692395 /nfs/dbraw/zinc/69/23/95/629692395.db2.gz NRDROBPZEXPEDN-LLVKDONJSA-N 1 1 255.296 2.943 20 30 CFEDMO C[C@H]([NH2+]Cc1cccnc1F)c1cccc(C#N)c1 ZINC000794836155 629692495 /nfs/dbraw/zinc/69/24/95/629692495.db2.gz NRDROBPZEXPEDN-NSHDSACASA-N 1 1 255.296 2.943 20 30 CFEDMO C=C(Br)CN1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000795128438 629737104 /nfs/dbraw/zinc/73/71/04/629737104.db2.gz SYMQFKPPMKKZAG-LLVKDONJSA-N 1 1 287.245 2.701 20 30 CFEDMO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1nnc(CC)o1 ZINC000795336193 629762423 /nfs/dbraw/zinc/76/24/23/629762423.db2.gz YEWVGEYAKCTCLP-DZGCQCFKSA-N 1 1 283.375 2.917 20 30 CFEDMO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1nc(C)no1 ZINC000795331009 629762436 /nfs/dbraw/zinc/76/24/36/629762436.db2.gz CJTQEMGOUFRDLX-WFASDCNBSA-N 1 1 269.348 2.663 20 30 CFEDMO C#CC[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000795401816 629772144 /nfs/dbraw/zinc/77/21/44/629772144.db2.gz JFOVDYFYUXKKIY-NSHDSACASA-N 1 1 266.747 2.623 20 30 CFEDMO C#CC[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@@H]1C ZINC000795401816 629772146 /nfs/dbraw/zinc/77/21/46/629772146.db2.gz JFOVDYFYUXKKIY-NSHDSACASA-N 1 1 266.747 2.623 20 30 CFEDMO C=C[C@](C)(CCOC)C(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000835603751 629873283 /nfs/dbraw/zinc/87/32/83/629873283.db2.gz 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ZINC000809605633 631244748 /nfs/dbraw/zinc/24/47/48/631244748.db2.gz MCHRIHVILQAQHE-OAHLLOKOSA-N 1 1 256.393 2.632 20 30 CFEDMO C#Cc1ccc(CNCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000809605633 631244751 /nfs/dbraw/zinc/24/47/51/631244751.db2.gz MCHRIHVILQAQHE-OAHLLOKOSA-N 1 1 256.393 2.632 20 30 CFEDMO C#Cc1ccc(C[N@H+](CCO)Cc2ccc(C)cc2)cc1 ZINC000809637327 631252653 /nfs/dbraw/zinc/25/26/53/631252653.db2.gz DZLKFNRBNKJUSQ-UHFFFAOYSA-N 1 1 279.383 2.971 20 30 CFEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C)n(C)n2)c1 ZINC000840899377 631255395 /nfs/dbraw/zinc/25/53/95/631255395.db2.gz VXFALBBVMIBHSP-INIZCTEOSA-N 1 1 298.390 2.699 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000809657157 631257923 /nfs/dbraw/zinc/25/79/23/631257923.db2.gz WICXJHSHXDBUEY-INIZCTEOSA-N 1 1 257.377 2.915 20 30 CFEDMO C#CC[N@@H+](Cc1ccc(C)nn1)[C@@H]1CCc2ccccc21 ZINC000840908043 631258562 /nfs/dbraw/zinc/25/85/62/631258562.db2.gz NMIPHKQFVSRYFL-GOSISDBHSA-N 1 1 277.371 2.908 20 30 CFEDMO C#CC[N@H+](Cc1ccc(C)nn1)[C@@H]1CCc2ccccc21 ZINC000840908043 631258567 /nfs/dbraw/zinc/25/85/67/631258567.db2.gz NMIPHKQFVSRYFL-GOSISDBHSA-N 1 1 277.371 2.908 20 30 CFEDMO C#CC[N@H+](Cc1cnn2ccccc12)Cc1ccccc1 ZINC000809717955 631270602 /nfs/dbraw/zinc/27/06/02/631270602.db2.gz OYYBDLAVDKMGSI-UHFFFAOYSA-N 1 1 275.355 2.970 20 30 CFEDMO C#CC[N@@H+](Cc1cnn2ccccc12)Cc1ccccc1 ZINC000809717955 631270608 /nfs/dbraw/zinc/27/06/08/631270608.db2.gz OYYBDLAVDKMGSI-UHFFFAOYSA-N 1 1 275.355 2.970 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000840954130 631281472 /nfs/dbraw/zinc/28/14/72/631281472.db2.gz GYGZZRAAAGAOOH-SFHVURJKSA-N 1 1 285.387 2.700 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000840954130 631281479 /nfs/dbraw/zinc/28/14/79/631281479.db2.gz GYGZZRAAAGAOOH-SFHVURJKSA-N 1 1 285.387 2.700 20 30 CFEDMO C[C@H](COc1ccccc1)[NH2+]Cc1nc(C#N)cs1 ZINC000810136936 631330635 /nfs/dbraw/zinc/33/06/35/631330635.db2.gz LTIIEECHHNDZGE-LLVKDONJSA-N 1 1 273.361 2.572 20 30 CFEDMO C#CCOc1ccccc1CN[C@@H](C)C[N@H+](CC)CCC ZINC000810180586 631340409 /nfs/dbraw/zinc/34/04/09/631340409.db2.gz CJPUBOKRTKNLQN-INIZCTEOSA-N 1 1 288.435 2.909 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001010046772 651170047 /nfs/dbraw/zinc/17/00/47/651170047.db2.gz XKZRCCHTDVYBPO-OAHLLOKOSA-N 1 1 264.413 2.723 20 30 CFEDMO C[N@@H+](CCOc1ccccc1)C[C@H](O)c1cccc(C#N)c1 ZINC000841493138 631416935 /nfs/dbraw/zinc/41/69/35/631416935.db2.gz VMJKNPDLIFYOFY-SFHVURJKSA-N 1 1 296.370 2.602 20 30 CFEDMO CC(C)(C)[C@@H](C#N)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810666785 631422477 /nfs/dbraw/zinc/42/24/77/631422477.db2.gz UZAUDBXMEYKWTN-ABAIWWIYSA-N 1 1 284.375 2.680 20 30 CFEDMO CCn1cncc1C=NNc1ccc(C(F)(F)F)cn1 ZINC000841604676 631428215 /nfs/dbraw/zinc/42/82/15/631428215.db2.gz TXWLPRXCZKHGSY-UHFFFAOYSA-N 1 1 283.257 2.763 20 30 CFEDMO c1ccc([C@H]2CC(=NN3CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000841606092 631429263 /nfs/dbraw/zinc/42/92/63/631429263.db2.gz YHZOXEMEYIVUOE-GOSISDBHSA-N 1 1 299.418 2.674 20 30 CFEDMO C[N@@H+](Cn1cccc(C#N)c1=O)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000841688754 631451964 /nfs/dbraw/zinc/45/19/64/631451964.db2.gz GRSJDBCONUYXNN-HUUCEWRRSA-N 1 1 287.407 2.824 20 30 CFEDMO Cc1cc(C#N)ccc1C(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810836772 631452868 /nfs/dbraw/zinc/45/28/68/631452868.db2.gz ICYKNKUGQXOBJY-LSDHHAIUSA-N 1 1 284.359 2.650 20 30 CFEDMO C[C@@H]1C[C@H](NCC2(C#N)CCC2)C[N@H+]1Cc1ccccc1 ZINC000841898315 631491127 /nfs/dbraw/zinc/49/11/27/631491127.db2.gz MQLWYOGKKNDXME-WBVHZDCISA-N 1 1 283.419 2.933 20 30 CFEDMO C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CN1Cc1ccccc1 ZINC000841898315 631491128 /nfs/dbraw/zinc/49/11/28/631491128.db2.gz MQLWYOGKKNDXME-WBVHZDCISA-N 1 1 283.419 2.933 20 30 CFEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000842165648 631557991 /nfs/dbraw/zinc/55/79/91/631557991.db2.gz CRBXIRCIWQWMPT-ZWUHOBOKSA-N 1 1 286.375 2.749 20 30 CFEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000842165648 631557996 /nfs/dbraw/zinc/55/79/96/631557996.db2.gz CRBXIRCIWQWMPT-ZWUHOBOKSA-N 1 1 286.375 2.749 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(O)cc(C(F)(F)F)c1 ZINC000811496211 631571236 /nfs/dbraw/zinc/57/12/36/631571236.db2.gz SLJFUHXHDFMHEU-VIFPVBQESA-N 1 1 257.255 2.865 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)C[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811496448 631571369 /nfs/dbraw/zinc/57/13/69/631571369.db2.gz XHLPAAWXIHZGCK-KGLIPLIRSA-N 1 1 282.428 2.879 20 30 CFEDMO Cc1cc(C)c(N[NH+]=Cc2cnc(N(C)C)n2C)c(C)c1 ZINC000811643185 631590570 /nfs/dbraw/zinc/59/05/70/631590570.db2.gz WPSHPTQXUKMUQH-UHFFFAOYSA-N 1 1 285.395 2.857 20 30 CFEDMO C[C@@H]1C(N=Nc2ncc(F)cn2)CC[N@H+]1Cc1ccccc1 ZINC000811646090 631591575 /nfs/dbraw/zinc/59/15/75/631591575.db2.gz KIJIWAUSWKESBR-GFCCVEGCSA-N 1 1 299.353 2.678 20 30 CFEDMO C[C@@H]1C[NH+]=C(NN=Cc2c[nH]c3ccc(C(C)(C)C)cc23)N1 ZINC000811647133 631591811 /nfs/dbraw/zinc/59/18/11/631591811.db2.gz YJYCLYABSSHOJY-LLVKDONJSA-N 1 1 297.406 2.737 20 30 CFEDMO c1ccc(C[N@H+]2CCC(=NNC[C@@H]3CCSC3)C2)cc1 ZINC000811659406 631598325 /nfs/dbraw/zinc/59/83/25/631598325.db2.gz WVVVVKWYCLTBHK-HNNXBMFYSA-N 1 1 289.448 2.591 20 30 CFEDMO c1ccc(C[N@@H+]2CCC(=NNC[C@@H]3CCSC3)C2)cc1 ZINC000811659406 631598329 /nfs/dbraw/zinc/59/83/29/631598329.db2.gz WVVVVKWYCLTBHK-HNNXBMFYSA-N 1 1 289.448 2.591 20 30 CFEDMO C[C@@H](COc1ccccc1)NN=C1C[N@@H+](C2CC2)C[C@@H]1C ZINC000811664862 631600307 /nfs/dbraw/zinc/60/03/07/631600307.db2.gz IZLWNWHWRKWCER-KBPBESRZSA-N 1 1 287.407 2.514 20 30 CFEDMO C[C@@H](COc1ccccc1)NN=C1C[N@H+](C2CC2)C[C@@H]1C ZINC000811664862 631600311 /nfs/dbraw/zinc/60/03/11/631600311.db2.gz IZLWNWHWRKWCER-KBPBESRZSA-N 1 1 287.407 2.514 20 30 CFEDMO C#Cc1cccc(NC(=S)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000811713270 631610525 /nfs/dbraw/zinc/61/05/25/631610525.db2.gz XNEBCOUCICVCNG-CYBMUJFWSA-N 1 1 289.448 2.683 20 30 CFEDMO C[C@@H]1C(=NNC23CC(C2)C3)CC[N@H+]1Cc1ccccc1 ZINC000842543627 631660182 /nfs/dbraw/zinc/66/01/82/631660182.db2.gz KUHLATXIGQREFQ-BZOOQXSSSA-N 1 1 269.392 2.779 20 30 CFEDMO C[C@@H]1C(=NNC23CC(C2)C3)CC[N@@H+]1Cc1ccccc1 ZINC000842543627 631660188 /nfs/dbraw/zinc/66/01/88/631660188.db2.gz KUHLATXIGQREFQ-BZOOQXSSSA-N 1 1 269.392 2.779 20 30 CFEDMO CCOC(=O)c1ccc(N=NC2C[N@@H+](C)C[C@H]2C)cc1C ZINC000812228189 631671239 /nfs/dbraw/zinc/67/12/39/631671239.db2.gz GKFSXOXOXYTEKT-GFCCVEGCSA-N 1 1 289.379 2.521 20 30 CFEDMO C#CCON=C1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000812233717 631672627 /nfs/dbraw/zinc/67/26/27/631672627.db2.gz VIVJSDDMLSJCAN-CQSZACIVSA-N 1 1 256.349 2.534 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](CN2CCC(CC)(CC)C2=O)C1 ZINC000842629870 631685603 /nfs/dbraw/zinc/68/56/03/631685603.db2.gz SLYBNBBSAGOLCH-HNNXBMFYSA-N 1 1 276.424 2.718 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](CN2C[C@@H](CC(C)(C)C)CC2=O)C1 ZINC000842628813 631685871 /nfs/dbraw/zinc/68/58/71/631685871.db2.gz GWFPOQONLGYMBS-HZPDHXFCSA-N 1 1 290.451 2.964 20 30 CFEDMO CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000812310369 631689720 /nfs/dbraw/zinc/68/97/20/631689720.db2.gz VBNMIAZSQSUWJD-HUUCEWRRSA-N 1 1 299.459 2.803 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]Cc1ccnn1CC(C)C ZINC000842678580 631703443 /nfs/dbraw/zinc/70/34/43/631703443.db2.gz BSVUXQZZMOLAEX-UHFFFAOYSA-N 1 1 297.402 2.841 20 30 CFEDMO Cc1ccccc1-n1cc(C[NH+]2CCC(C#N)CC2)cn1 ZINC000843392355 631943683 /nfs/dbraw/zinc/94/36/83/631943683.db2.gz DKLDEOQMBLVHJM-UHFFFAOYSA-N 1 1 280.375 2.916 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000843423628 631951688 /nfs/dbraw/zinc/95/16/88/631951688.db2.gz HJTUKCJDKQXFDY-MRXNPFEDSA-N 1 1 283.419 2.917 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(Cl)n(C)nc2CC)C1 ZINC000843423699 631952095 /nfs/dbraw/zinc/95/20/95/631952095.db2.gz IMPHXNDDKQODGY-GFCCVEGCSA-N 1 1 279.815 2.871 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000843424217 631953025 /nfs/dbraw/zinc/95/30/25/631953025.db2.gz WEBXUNVYZCRKMI-AWEZNQCLSA-N 1 1 254.377 2.806 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(OCCOC)c2)C1 ZINC000843424585 631953082 /nfs/dbraw/zinc/95/30/82/631953082.db2.gz WNMDAZMIJJXTSX-INIZCTEOSA-N 1 1 287.403 2.947 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000843424216 631953576 /nfs/dbraw/zinc/95/35/76/631953576.db2.gz QQXSSDHCEVMRFA-QGZVFWFLSA-N 1 1 298.430 2.759 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000843423933 631953632 /nfs/dbraw/zinc/95/36/32/631953632.db2.gz LZPQQJSOLBBGKG-CYBMUJFWSA-N 1 1 259.349 2.636 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000843427970 631955577 /nfs/dbraw/zinc/95/55/77/631955577.db2.gz DULHRYJTDFGRCN-SFHVURJKSA-N 1 1 285.387 2.700 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000843427967 631955799 /nfs/dbraw/zinc/95/57/99/631955799.db2.gz DULHRYJTDFGRCN-GOSISDBHSA-N 1 1 285.387 2.700 20 30 CFEDMO CN1CCN(c2ccc(C=[NH+]OCCC3CC3)cc2)CC1 ZINC000814246859 632045339 /nfs/dbraw/zinc/04/53/39/632045339.db2.gz GGPLGRXMWMFHGM-UHFFFAOYSA-N 1 1 287.407 2.589 20 30 CFEDMO C=CCN(C(=O)C[C@@H](C)n1cc[nH+]c1CC)C(C)C ZINC000843788385 632055932 /nfs/dbraw/zinc/05/59/32/632055932.db2.gz MAEWBEBSGOTRGH-CYBMUJFWSA-N 1 1 263.385 2.820 20 30 CFEDMO C#CC[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000843999302 632091660 /nfs/dbraw/zinc/09/16/60/632091660.db2.gz MXBHUFBANZBPFA-DOTOQJQBSA-N 1 1 284.403 2.551 20 30 CFEDMO C#CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000843999469 632091778 /nfs/dbraw/zinc/09/17/78/632091778.db2.gz OULRLUBHIJNEPM-WBVHZDCISA-N 1 1 288.435 2.655 20 30 CFEDMO CCc1ccc([C@@H]2CC[N@@H+](CCO[C@@H](C)C#N)C2)cc1 ZINC000814642801 632102918 /nfs/dbraw/zinc/10/29/18/632102918.db2.gz RUAZYUQUSUPUBW-WMLDXEAASA-N 1 1 272.392 2.967 20 30 CFEDMO C[N@H+](C[C@H](O)c1cccc(Cl)c1)CC(C)(C)C#N ZINC000814669520 632105933 /nfs/dbraw/zinc/10/59/33/632105933.db2.gz CXRIKBDYMYYREJ-ZDUSSCGKSA-N 1 1 266.772 2.855 20 30 CFEDMO C[N@@H+](C[C@H](O)c1cccc(Cl)c1)CC(C)(C)C#N ZINC000814669520 632105937 /nfs/dbraw/zinc/10/59/37/632105937.db2.gz CXRIKBDYMYYREJ-ZDUSSCGKSA-N 1 1 266.772 2.855 20 30 CFEDMO C/C(C=NN1CC[NH+](C)CC1)=C/c1ccc(Cl)cc1 ZINC000814685100 632108119 /nfs/dbraw/zinc/10/81/19/632108119.db2.gz INDCOGBELFKWGR-LYKSIUJXSA-N 1 1 277.799 2.977 20 30 CFEDMO CC(=[NH+]NCc1ccccc1)c1cc([N+](=O)[O-])ccc1N ZINC000814751890 632118227 /nfs/dbraw/zinc/11/82/27/632118227.db2.gz VULGSCDMLPZORY-UHFFFAOYSA-N 1 1 284.319 2.691 20 30 CFEDMO C=C(Br)C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000105453707 632135088 /nfs/dbraw/zinc/13/50/88/632135088.db2.gz NCDYJVMFYYVZEY-UHFFFAOYSA-N 1 1 292.180 2.871 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]CC(=C)Br ZINC000105453930 632135179 /nfs/dbraw/zinc/13/51/79/632135179.db2.gz XUFBTHILSDBRMF-UHFFFAOYSA-N 1 1 280.165 2.697 20 30 CFEDMO CCC(=[NH+]N[C@H](C)CC#N)c1ccc(Cl)c(N)c1 ZINC000814881412 632146965 /nfs/dbraw/zinc/14/69/65/632146965.db2.gz ODJFFUSMNBWDEO-SECBINFHSA-N 1 1 264.760 2.928 20 30 CFEDMO CC(=[NH+]Nc1ccc(F)cc1C)c1ccc(N)nc1 ZINC000814884923 632148413 /nfs/dbraw/zinc/14/84/13/632148413.db2.gz DQFRQLUAVTWFBK-UHFFFAOYSA-N 1 1 258.300 2.947 20 30 CFEDMO Cc1cc(F)ccc1N[NH+]=Cc1c(Cl)nc(N)n1C ZINC000814885194 632149393 /nfs/dbraw/zinc/14/93/93/632149393.db2.gz QUFXYYQQBWDDNG-UHFFFAOYSA-N 1 1 281.722 2.549 20 30 CFEDMO Cn1cc[nH+]c1[N-][NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814919160 632164312 /nfs/dbraw/zinc/16/43/12/632164312.db2.gz NLRYFGJPBQBKQO-JTQLQIEISA-N 1 1 267.336 2.539 20 30 CFEDMO C#CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(C)s2)C1 ZINC000844328869 632170961 /nfs/dbraw/zinc/17/09/61/632170961.db2.gz ZMZALCOWCDMUTJ-HNNXBMFYSA-N 1 1 276.449 2.834 20 30 CFEDMO C[C@@H]1CC(N=Nc2ccc(F)c(F)c2F)C[N@H+]1C ZINC000814945536 632177341 /nfs/dbraw/zinc/17/73/41/632177341.db2.gz DSMWFQFMLGMXSM-SSDOTTSWSA-N 1 1 257.259 2.596 20 30 CFEDMO c1ccc(-c2nnc(N=NC3CC[N@H+]4CCC[C@@H]34)s2)cc1 ZINC000814947791 632177906 /nfs/dbraw/zinc/17/79/06/632177906.db2.gz KBHNVPKCCIZRFP-ZDUSSCGKSA-N 1 1 299.403 2.841 20 30 CFEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@@H]1CC1(Cl)Cl ZINC000844366479 632182022 /nfs/dbraw/zinc/18/20/22/632182022.db2.gz PKOHRHWMJAKPPG-STQMWFEESA-N 1 1 299.201 2.717 20 30 CFEDMO C=CCCCC[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371649 632183407 /nfs/dbraw/zinc/18/34/07/632183407.db2.gz PTJDDVZFKZZSCX-MRXNPFEDSA-N 1 1 258.365 2.880 20 30 CFEDMO COc1ccc(N2CCC[N@H+]([C@@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000815021335 632188142 /nfs/dbraw/zinc/18/81/42/632188142.db2.gz FEXAOPNIFGCLDY-DOTOQJQBSA-N 1 1 299.418 2.900 20 30 CFEDMO CC(C)[N@@H+](CCOCCC#N)Cc1ccc(N(C)C)cc1 ZINC000815019962 632188807 /nfs/dbraw/zinc/18/88/07/632188807.db2.gz WNTFJEPPRUIQSI-UHFFFAOYSA-N 1 1 289.423 2.893 20 30 CFEDMO C#CCNC(=O)CC[N@@H+]1CCCC[C@H]1c1ccc(C)cc1 ZINC000815052897 632191457 /nfs/dbraw/zinc/19/14/57/632191457.db2.gz GBKBDORJIAIUDI-KRWDZBQOSA-N 1 1 284.403 2.662 20 30 CFEDMO C#CCNC(=O)CC[N@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000815054472 632191846 /nfs/dbraw/zinc/19/18/46/632191846.db2.gz KZDRWGZIAWJSHG-ROUUACIJSA-N 1 1 298.430 2.702 20 30 CFEDMO N#CCCOCC[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000815067032 632193809 /nfs/dbraw/zinc/19/38/09/632193809.db2.gz OMBQWMGKLMYNRP-IRXDYDNUSA-N 1 1 288.391 2.505 20 30 CFEDMO C[C@@H]([NH2+]Cc1cnn(C)c1Cl)c1cccc(C#N)c1 ZINC000815127910 632208763 /nfs/dbraw/zinc/20/87/63/632208763.db2.gz JBCDKQMNKONPCH-SNVBAGLBSA-N 1 1 274.755 2.796 20 30 CFEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844439743 632212126 /nfs/dbraw/zinc/21/21/26/632212126.db2.gz POBYGCPFIHIZCE-LSDHHAIUSA-N 1 1 292.329 2.713 20 30 CFEDMO CCCCCCCN1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000815138553 632214864 /nfs/dbraw/zinc/21/48/64/632214864.db2.gz WFXIDIXGKQADOQ-JKSUJKDBSA-N 1 1 268.445 2.752 20 30 CFEDMO C#CCCC[N@@H+]1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000815145670 632216398 /nfs/dbraw/zinc/21/63/98/632216398.db2.gz BPIRVQWKHORJHW-LBPRGKRZSA-N 1 1 263.303 2.832 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000844468782 632223572 /nfs/dbraw/zinc/22/35/72/632223572.db2.gz MMRFTZGFQFGQQN-STQMWFEESA-N 1 1 276.355 2.716 20 30 CFEDMO C#CCCCOC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815444919 632274320 /nfs/dbraw/zinc/27/43/20/632274320.db2.gz NGSSRZZZMAEUPY-HNNXBMFYSA-N 1 1 263.381 2.740 20 30 CFEDMO C=CCCOC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815443893 632274525 /nfs/dbraw/zinc/27/45/25/632274525.db2.gz MKNYXESBSMYADN-CQSZACIVSA-N 1 1 251.370 2.903 20 30 CFEDMO C=C[C@@H](C)ONC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000845622058 632488325 /nfs/dbraw/zinc/48/83/25/632488325.db2.gz ILCMKLMHVCRCIC-HIFRSBDPSA-N 1 1 295.427 2.589 20 30 CFEDMO CN(C)c1ccc(C[N@H+](C)CC(C)(C)C#N)cc1F ZINC000816632675 632496783 /nfs/dbraw/zinc/49/67/83/632496783.db2.gz UKWJZIBAWWERQK-UHFFFAOYSA-N 1 1 263.360 2.873 20 30 CFEDMO CN(C)c1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1F ZINC000816632675 632496788 /nfs/dbraw/zinc/49/67/88/632496788.db2.gz UKWJZIBAWWERQK-UHFFFAOYSA-N 1 1 263.360 2.873 20 30 CFEDMO CCOc1ccc(C[N@H+](C)CC(C)(C)C#N)c(O)c1 ZINC000816631804 632497014 /nfs/dbraw/zinc/49/70/14/632497014.db2.gz FXBIOAKLXFMOQD-UHFFFAOYSA-N 1 1 262.353 2.772 20 30 CFEDMO CCOc1ccc(C[N@@H+](C)CC(C)(C)C#N)c(O)c1 ZINC000816631804 632497016 /nfs/dbraw/zinc/49/70/16/632497016.db2.gz FXBIOAKLXFMOQD-UHFFFAOYSA-N 1 1 262.353 2.772 20 30 CFEDMO C=C[C@H](C)ONC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000845641186 632499697 /nfs/dbraw/zinc/49/96/97/632499697.db2.gz YZTSSVWZHRFUJA-AWEZNQCLSA-N 1 1 297.443 2.646 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666004 632509067 /nfs/dbraw/zinc/50/90/67/632509067.db2.gz BSNLKZINKLTJKZ-OALUTQOASA-N 1 1 297.398 2.842 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000816666004 632509072 /nfs/dbraw/zinc/50/90/72/632509072.db2.gz BSNLKZINKLTJKZ-OALUTQOASA-N 1 1 297.398 2.842 20 30 CFEDMO C=CC[C@H]1CC[C@H]([NH2+][C@@H](C)C(=O)OCC(C)C)C1 ZINC000845962762 632605173 /nfs/dbraw/zinc/60/51/73/632605173.db2.gz BAIZTMPWGJVGGK-IHRRRGAJSA-N 1 1 253.386 2.909 20 30 CFEDMO C[N@H+](Cc1ccc(Cl)o1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846005749 632612223 /nfs/dbraw/zinc/61/22/23/632612223.db2.gz GRWOILDUVYJGJH-CQSZACIVSA-N 1 1 290.750 2.970 20 30 CFEDMO CCc1ccc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)o1 ZINC000846007874 632612385 /nfs/dbraw/zinc/61/23/85/632612385.db2.gz RATLYBREYCLFOB-KRWDZBQOSA-N 1 1 284.359 2.879 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@H](O)c1cccc(C#N)c1 ZINC000846006919 632612437 /nfs/dbraw/zinc/61/24/37/632612437.db2.gz LJCWGCFTUGWBDW-INIZCTEOSA-N 1 1 297.383 2.657 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)[C@@H](C)CO1 ZINC000846044065 632622893 /nfs/dbraw/zinc/62/28/93/632622893.db2.gz PEPKYOKEWDKPCC-SQWLQELKSA-N 1 1 288.391 2.977 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)[C@@H](C)CO1 ZINC000846044065 632622898 /nfs/dbraw/zinc/62/28/98/632622898.db2.gz PEPKYOKEWDKPCC-SQWLQELKSA-N 1 1 288.391 2.977 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)[C@H](C)CO1 ZINC000846044057 632622938 /nfs/dbraw/zinc/62/29/38/632622938.db2.gz PEPKYOKEWDKPCC-IIAWOOMASA-N 1 1 288.391 2.977 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)[C@H](C)CO1 ZINC000846044057 632622942 /nfs/dbraw/zinc/62/29/42/632622942.db2.gz PEPKYOKEWDKPCC-IIAWOOMASA-N 1 1 288.391 2.977 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1ccncc1Cl)[C@H]1CCCO1 ZINC000817583689 632670422 /nfs/dbraw/zinc/67/04/22/632670422.db2.gz GTAZPJLGRDIBAO-LEWSCRJBSA-N 1 1 264.756 2.566 20 30 CFEDMO CC#CC(=O)NCC[N@H+](CCCCC)Cc1ccccc1 ZINC000846370794 632698131 /nfs/dbraw/zinc/69/81/31/632698131.db2.gz XSTBGXVXIJTHNS-UHFFFAOYSA-N 1 1 286.419 2.818 20 30 CFEDMO N#CCOc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000817918226 632733313 /nfs/dbraw/zinc/73/33/13/632733313.db2.gz KFIQFTIEILZWFI-FGTMMUONSA-N 1 1 299.418 2.599 20 30 CFEDMO CC[C@H](C#N)Oc1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000817918905 632734266 /nfs/dbraw/zinc/73/42/66/632734266.db2.gz NFHPNDSEZOEGEU-FCLJQHQZSA-N 1 1 299.418 2.740 20 30 CFEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@H](C)CN)cc1 ZINC000817965922 632764214 /nfs/dbraw/zinc/76/42/14/632764214.db2.gz FDGUINQHGNRQNG-NEPJUHHUSA-N 1 1 268.788 2.816 20 30 CFEDMO C#CCOc1ccc([C@H](C)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000817966513 632765394 /nfs/dbraw/zinc/76/53/94/632765394.db2.gz PIVODNUTXBRWIS-MAUKXSAKSA-N 1 1 286.419 2.739 20 30 CFEDMO Cc1cc(C#N)ccc1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000846749298 632783256 /nfs/dbraw/zinc/78/32/56/632783256.db2.gz XAJPNVTYHQXMTR-KRWDZBQOSA-N 1 1 269.392 2.789 20 30 CFEDMO Cc1cc[nH+]c(N2CCN(c3ccc(C#N)cc3C)CC2)c1 ZINC000846748692 632783608 /nfs/dbraw/zinc/78/36/08/632783608.db2.gz WZCCUQUBTLIMAV-UHFFFAOYSA-N 1 1 292.386 2.897 20 30 CFEDMO COc1cccc(O)c1/C=N/[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000846757415 632788593 /nfs/dbraw/zinc/78/85/93/632788593.db2.gz YXNGDUVXNBNYLB-SIRBDXHCSA-N 1 1 288.391 2.837 20 30 CFEDMO N#CCCCC[C@@H]([NH3+])c1nc(-c2cccc(F)c2)no1 ZINC000846771528 632792365 /nfs/dbraw/zinc/79/23/65/632792365.db2.gz WYWRUOLUHABSAR-GFCCVEGCSA-N 1 1 274.299 2.959 20 30 CFEDMO N#CCCCC[C@@H]([NH3+])c1nc(Cc2ccc(F)cc2)no1 ZINC000846771820 632792908 /nfs/dbraw/zinc/79/29/08/632792908.db2.gz NHIWUMIKNDGMFR-CYBMUJFWSA-N 1 1 288.326 2.883 20 30 CFEDMO C=CC[C@@H]1[N@@H+](C[C@@H]2CN(CC)C(=O)O2)CCCC1(C)C ZINC000846877697 632829562 /nfs/dbraw/zinc/82/95/62/632829562.db2.gz CHKZTXZNUMPGHA-KBPBESRZSA-N 1 1 280.412 2.894 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1ccc(OC)cc1Cl ZINC000818338705 632832741 /nfs/dbraw/zinc/83/27/41/632832741.db2.gz AEXJRUOPVAVOSK-ZDUSSCGKSA-N 1 1 294.826 2.954 20 30 CFEDMO C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(OC)cc1Cl ZINC000818338705 632832749 /nfs/dbraw/zinc/83/27/49/632832749.db2.gz AEXJRUOPVAVOSK-ZDUSSCGKSA-N 1 1 294.826 2.954 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H](CC)c2ccc3c(c2)CCO3)nn1 ZINC000818345573 632834887 /nfs/dbraw/zinc/83/48/87/632834887.db2.gz FLBOCISWCVCTPD-MRXNPFEDSA-N 1 1 298.390 2.640 20 30 CFEDMO N#CCOc1ccc(C[N@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000846907732 632842782 /nfs/dbraw/zinc/84/27/82/632842782.db2.gz ZUIGBCFGAQSZLS-KRWDZBQOSA-N 1 1 293.370 2.973 20 30 CFEDMO CCOC(C[N@@H+](CC)Cc1ccc(C#N)c(F)c1)OCC ZINC000846973750 632865269 /nfs/dbraw/zinc/86/52/69/632865269.db2.gz DJXHYYOJBWHEPJ-UHFFFAOYSA-N 1 1 294.370 2.918 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000846988844 632870819 /nfs/dbraw/zinc/87/08/19/632870819.db2.gz UMVHFFDVJNPYDF-GXFFZTMASA-N 1 1 270.735 2.794 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)/C=C(/CC)c1ccc(C)cc1 ZINC000818589163 632873301 /nfs/dbraw/zinc/87/33/01/632873301.db2.gz SIOOLFBHKZCQKH-ICFOKQHNSA-N 1 1 298.430 2.860 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)C[C@@H]1CCCCC1(C)C ZINC000818606107 632877599 /nfs/dbraw/zinc/87/75/99/632877599.db2.gz DCMKJDHCSUJXSO-HNNXBMFYSA-N 1 1 278.440 2.664 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)C(C)(C)CCCCC ZINC000818609205 632878848 /nfs/dbraw/zinc/87/88/48/632878848.db2.gz OEUQURPQJZMAMY-UHFFFAOYSA-N 1 1 266.429 2.664 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)C1(c2ccccc2)CCCC1 ZINC000818612263 632879867 /nfs/dbraw/zinc/87/98/67/632879867.db2.gz RBGDONOYYCGVRS-UHFFFAOYSA-N 1 1 298.430 2.570 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC000847018455 632882587 /nfs/dbraw/zinc/88/25/87/632882587.db2.gz JYNMMBYOHSDGNT-AWEZNQCLSA-N 1 1 283.350 2.857 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2ccn(-c3ccccc3F)n2)C1 ZINC000847018455 632882591 /nfs/dbraw/zinc/88/25/91/632882591.db2.gz JYNMMBYOHSDGNT-AWEZNQCLSA-N 1 1 283.350 2.857 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC000847019640 632883644 /nfs/dbraw/zinc/88/36/44/632883644.db2.gz RXDUONLJIMDIQH-KRWDZBQOSA-N 1 1 293.414 2.971 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC000847019640 632883653 /nfs/dbraw/zinc/88/36/53/632883653.db2.gz RXDUONLJIMDIQH-KRWDZBQOSA-N 1 1 293.414 2.971 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC000847019641 632883994 /nfs/dbraw/zinc/88/39/94/632883994.db2.gz RXDUONLJIMDIQH-QGZVFWFLSA-N 1 1 293.414 2.971 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC000847019641 632884002 /nfs/dbraw/zinc/88/40/02/632884002.db2.gz RXDUONLJIMDIQH-QGZVFWFLSA-N 1 1 293.414 2.971 20 30 CFEDMO 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/nfs/dbraw/zinc/34/41/08/635344108.db2.gz YYLVCXXMGHRBCO-OAHLLOKOSA-N 1 1 289.423 2.799 20 30 CFEDMO CCCC[N@@H+](C)CCNCc1ccc(O[C@H](C)C#N)cc1 ZINC000112376779 635344115 /nfs/dbraw/zinc/34/41/15/635344115.db2.gz YYLVCXXMGHRBCO-OAHLLOKOSA-N 1 1 289.423 2.799 20 30 CFEDMO C#C[C@@](C)(CC)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000854701541 635374129 /nfs/dbraw/zinc/37/41/29/635374129.db2.gz CUQUPTAEEUYEPI-INIZCTEOSA-N 1 1 264.413 2.559 20 30 CFEDMO C=CC[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000112998406 635455939 /nfs/dbraw/zinc/45/59/39/635455939.db2.gz YYOWOURICRQPOO-TXEJJXNPSA-N 1 1 254.374 2.502 20 30 CFEDMO C=CC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000112998406 635455934 /nfs/dbraw/zinc/45/59/34/635455934.db2.gz YYOWOURICRQPOO-TXEJJXNPSA-N 1 1 254.374 2.502 20 30 CFEDMO CCCCCCCC(=O)NCC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000855413922 635534450 /nfs/dbraw/zinc/53/44/50/635534450.db2.gz UAWJAWYJQZEZGM-CABCVRRESA-N 1 1 284.444 2.572 20 30 CFEDMO CCCCCCCC(=O)NCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000855413922 635534452 /nfs/dbraw/zinc/53/44/52/635534452.db2.gz UAWJAWYJQZEZGM-CABCVRRESA-N 1 1 284.444 2.572 20 30 CFEDMO CCN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CC[N@@H+](CC)C1 ZINC000855490994 635566844 /nfs/dbraw/zinc/56/68/44/635566844.db2.gz TUCZWKUDMOEIAY-FVNWOWOISA-N 1 1 297.402 2.514 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H](Oc2ccnc(CN(C)CC)c2)C1 ZINC000856591323 635834980 /nfs/dbraw/zinc/83/49/80/635834980.db2.gz MQSMPMYONWPVSQ-KRWDZBQOSA-N 1 1 289.423 2.563 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](Oc2ccnc(CN(C)CC)c2)C1 ZINC000856591323 635834983 /nfs/dbraw/zinc/83/49/83/635834983.db2.gz MQSMPMYONWPVSQ-KRWDZBQOSA-N 1 1 289.423 2.563 20 30 CFEDMO C#CC[C@H]([NH2+]Cc1cn(C)nc1Cl)c1ccccc1 ZINC000856775748 635856497 /nfs/dbraw/zinc/85/64/97/635856497.db2.gz SNVBONBVRWGSAC-AWEZNQCLSA-N 1 1 273.767 2.928 20 30 CFEDMO C[C@@H](C#N)OCC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000856822339 635868808 /nfs/dbraw/zinc/86/88/08/635868808.db2.gz JTDHWCFRPTUHEU-CMPLNLGQSA-N 1 1 260.328 2.719 20 30 CFEDMO C#CCCC[N@@H+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856816539 635868946 /nfs/dbraw/zinc/86/89/46/635868946.db2.gz QVTRUHYHDJXMCL-RHSMWYFYSA-N 1 1 292.423 2.779 20 30 CFEDMO C#CC[NH+]1CCC(c2nc([C@@H](C)c3ccco3)no2)CC1 ZINC000857085882 635927342 /nfs/dbraw/zinc/92/73/42/635927342.db2.gz ASHJRFITMGEKQK-LBPRGKRZSA-N 1 1 285.347 2.627 20 30 CFEDMO C[C@@H](CC#N)N(C)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857148047 635936305 /nfs/dbraw/zinc/93/63/05/635936305.db2.gz GFVJGOCKVZJCAE-YOEHRIQHSA-N 1 1 299.418 2.870 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(NC(=O)c2oc(C)cc2C)CC1 ZINC000857809817 636025212 /nfs/dbraw/zinc/02/52/12/636025212.db2.gz WGMKUTWQPZGPCE-UHFFFAOYSA-N 1 1 296.798 2.843 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858046329 636119209 /nfs/dbraw/zinc/11/92/09/636119209.db2.gz LJRFVQVTYJFGJE-OAHLLOKOSA-N 1 1 258.365 2.988 20 30 CFEDMO CCCCCCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000858110360 636128462 /nfs/dbraw/zinc/12/84/62/636128462.db2.gz RLNNKCDPKAVOQQ-GJZGRUSLSA-N 1 1 281.444 2.883 20 30 CFEDMO CCCCCCCNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000858111861 636129287 /nfs/dbraw/zinc/12/92/87/636129287.db2.gz WFYZJUJHGZPLDU-HNNXBMFYSA-N 1 1 281.444 2.740 20 30 CFEDMO CCCCCCCNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000858114740 636131673 /nfs/dbraw/zinc/13/16/73/636131673.db2.gz RRRHYGBFYBCOIN-AWEZNQCLSA-N 1 1 269.433 2.692 20 30 CFEDMO CCCCCCCNc1cc[nH+]c(N2CCOCC2)n1 ZINC000858649550 636315704 /nfs/dbraw/zinc/31/57/04/636315704.db2.gz AQSSBODNMOFCTJ-UHFFFAOYSA-N 1 1 278.400 2.696 20 30 CFEDMO C#CC[N@@H+](Cc1cc(Cl)n(C)n1)C1CCCCC1 ZINC000859093056 636450980 /nfs/dbraw/zinc/45/09/80/636450980.db2.gz JFGKIEPGRUGMMG-UHFFFAOYSA-N 1 1 265.788 2.841 20 30 CFEDMO C#CC[N@H+](Cc1cc(Cl)n(C)n1)C1CCCCC1 ZINC000859093056 636450985 /nfs/dbraw/zinc/45/09/85/636450985.db2.gz JFGKIEPGRUGMMG-UHFFFAOYSA-N 1 1 265.788 2.841 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]Cc1cccc(C)n1 ZINC000048329711 650262980 /nfs/dbraw/zinc/26/29/80/650262980.db2.gz SJJIJGWEYDXLDU-UHFFFAOYSA-N 1 1 266.344 2.692 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000859336234 636545357 /nfs/dbraw/zinc/54/53/57/636545357.db2.gz MHLVDJWLNSSEJE-NSHDSACASA-N 1 1 268.282 2.946 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)C1 ZINC000859336234 636545363 /nfs/dbraw/zinc/54/53/63/636545363.db2.gz MHLVDJWLNSSEJE-NSHDSACASA-N 1 1 268.282 2.946 20 30 CFEDMO Cn1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1Cl ZINC000859346044 636546334 /nfs/dbraw/zinc/54/63/34/636546334.db2.gz NGHPBCYZCAKHRT-UHFFFAOYSA-N 1 1 288.782 2.970 20 30 CFEDMO C[C@@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H](C)C1(F)F ZINC000859412344 636559434 /nfs/dbraw/zinc/55/94/34/636559434.db2.gz SHCUCSZZCAQAAJ-TYNCELHUSA-N 1 1 294.345 2.815 20 30 CFEDMO C#CCCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000859610585 636621682 /nfs/dbraw/zinc/62/16/82/636621682.db2.gz JJYGWYJBJAXELF-KBPBESRZSA-N 1 1 265.397 2.700 20 30 CFEDMO N#CCCOCC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859927109 636744264 /nfs/dbraw/zinc/74/42/64/636744264.db2.gz XEMNUUZGPRAQKQ-YESZJQIVSA-N 1 1 270.376 2.652 20 30 CFEDMO C#CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCC ZINC000859958017 636751857 /nfs/dbraw/zinc/75/18/57/636751857.db2.gz MWAGTBJCJTZCII-IAGOWNOFSA-N 1 1 285.387 2.711 20 30 CFEDMO C=CCCC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000117101635 636754280 /nfs/dbraw/zinc/75/42/80/636754280.db2.gz DRNSIZHLUBWCHN-HNNXBMFYSA-N 1 1 259.349 2.770 20 30 CFEDMO CCCCC(N)=[NH+]OCc1cccc([N+](=O)[O-])c1C ZINC000049066164 650287214 /nfs/dbraw/zinc/28/72/14/650287214.db2.gz AWXXEBNIVZWTRY-UHFFFAOYSA-N 1 1 265.313 2.882 20 30 CFEDMO Cc1c(CO[NH+]=C(N)CC(C)C)cccc1[N+](=O)[O-] ZINC000049391686 650294394 /nfs/dbraw/zinc/29/43/94/650294394.db2.gz SBVSCIVECJTWDZ-UHFFFAOYSA-N 1 1 265.313 2.738 20 30 CFEDMO CC[N@@H+](CCCSCC#N)C[C@H](O)c1ccc(C)cc1 ZINC000074991863 650310249 /nfs/dbraw/zinc/31/02/49/650310249.db2.gz NVRBPXKDXKXQED-INIZCTEOSA-N 1 1 292.448 2.997 20 30 CFEDMO C=CCCCCCCCNC(=O)Cn1c[nH+]cc1C ZINC000861753887 637233057 /nfs/dbraw/zinc/23/30/57/637233057.db2.gz AJYWEHQEAOQFJS-UHFFFAOYSA-N 1 1 263.385 2.834 20 30 CFEDMO N#CCOc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)cc1 ZINC000862277146 637307973 /nfs/dbraw/zinc/30/79/73/637307973.db2.gz QIVRUAGATFHFHM-UHFFFAOYSA-N 1 1 283.331 2.744 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000862442635 637382333 /nfs/dbraw/zinc/38/23/33/637382333.db2.gz DVBDJYXMIAJKRV-MRXNPFEDSA-N 1 1 287.403 2.947 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000862444161 637383196 /nfs/dbraw/zinc/38/31/96/637383196.db2.gz YSUKHIFEVXTBNB-CYBMUJFWSA-N 1 1 259.349 2.636 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2c(C)cc(OC)nc2C)C1 ZINC000862445141 637384809 /nfs/dbraw/zinc/38/48/09/637384809.db2.gz MQIBSZLBUYGAGA-CQSZACIVSA-N 1 1 258.365 2.552 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000862444779 637385626 /nfs/dbraw/zinc/38/56/26/637385626.db2.gz HBGHTASFJUYLTR-NSHDSACASA-N 1 1 294.192 3.000 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000862444779 637385634 /nfs/dbraw/zinc/38/56/34/637385634.db2.gz HBGHTASFJUYLTR-NSHDSACASA-N 1 1 294.192 3.000 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cncc(Br)c2)C1 ZINC000862444651 637385884 /nfs/dbraw/zinc/38/58/84/637385884.db2.gz FAWFQJACMRBZJN-NSHDSACASA-N 1 1 279.181 2.689 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cnc3c(cnn3C(C)C)c2)C1 ZINC000862445216 637388093 /nfs/dbraw/zinc/38/80/93/637388093.db2.gz OLDQHGMHOPYWNN-AWEZNQCLSA-N 1 1 282.391 2.857 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000862447790 637389148 /nfs/dbraw/zinc/38/91/48/637389148.db2.gz QZGDYPQPQQAGST-CRAIPNDOSA-N 1 1 285.387 2.700 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000862448089 637389190 /nfs/dbraw/zinc/38/91/90/637389190.db2.gz WTCHQSJQMNTXMO-IAGOWNOFSA-N 1 1 298.430 2.757 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000862448065 637389350 /nfs/dbraw/zinc/38/93/50/637389350.db2.gz WJBKTOIGESTZKV-LBPRGKRZSA-N 1 1 278.346 2.876 20 30 CFEDMO C#CCCOc1ccc(C[N@H+](C)CC2(C)COC2)cc1 ZINC000862476515 637395735 /nfs/dbraw/zinc/39/57/35/637395735.db2.gz BUEBDBMLHRZJDA-UHFFFAOYSA-N 1 1 273.376 2.557 20 30 CFEDMO C#CCOc1ccc(C[N@H+](C)CC(O)(CC)CC)cc1 ZINC000862538908 637411300 /nfs/dbraw/zinc/41/13/00/637411300.db2.gz GEIBVNOLFYEKCZ-UHFFFAOYSA-N 1 1 275.392 2.682 20 30 CFEDMO C#CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000862568261 637434869 /nfs/dbraw/zinc/43/48/69/637434869.db2.gz ABAIMFDMHMNFDW-JKSUJKDBSA-N 1 1 288.435 2.513 20 30 CFEDMO CCCCCCCC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000188725109 650344003 /nfs/dbraw/zinc/34/40/03/650344003.db2.gz RFNCSOKGXPUEGM-HNNXBMFYSA-N 1 1 298.471 2.651 20 30 CFEDMO CN(C)c1c(C=[NH+]N[C@H]2CCOC2(C)C)ccc(F)c1F ZINC000863117818 637562235 /nfs/dbraw/zinc/56/22/35/637562235.db2.gz DHZRQWYXLKIKIF-LBPRGKRZSA-N 1 1 297.349 2.522 20 30 CFEDMO Cc1cccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000863160442 637575561 /nfs/dbraw/zinc/57/55/61/637575561.db2.gz FEPTXHDPRYPZHX-AWEZNQCLSA-N 1 1 258.369 2.806 20 30 CFEDMO CC(C)(C)OC(=O)NC1CCC(=[NH+]n2cccn2)CC1 ZINC000863166089 637577328 /nfs/dbraw/zinc/57/73/28/637577328.db2.gz SQKFMYMSNFEWET-UHFFFAOYSA-N 1 1 278.356 2.555 20 30 CFEDMO OC1(c2cccc(F)c2)CCC(=[NH+]n2cccn2)CC1 ZINC000863164729 637577350 /nfs/dbraw/zinc/57/73/50/637577350.db2.gz UFPKVMZHHVIIFJ-UHFFFAOYSA-N 1 1 273.311 2.688 20 30 CFEDMO C[C@H]1CC(=NNCCCOCc2ccccc2)CC[N@H+]1C ZINC000863178301 637579912 /nfs/dbraw/zinc/57/99/12/637579912.db2.gz KUBIBZGHTUGMOT-HNNXBMFYSA-N 1 1 289.423 2.653 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000119538195 637705668 /nfs/dbraw/zinc/70/56/68/637705668.db2.gz KYVDOCZWGNAOLD-CQSZACIVSA-N 1 1 273.376 2.698 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000119538195 637705671 /nfs/dbraw/zinc/70/56/71/637705671.db2.gz KYVDOCZWGNAOLD-CQSZACIVSA-N 1 1 273.376 2.698 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cccc(Cl)c2)C1 ZINC001016068169 651222724 /nfs/dbraw/zinc/22/27/24/651222724.db2.gz IYNGLYIGFNWQMQ-CQSZACIVSA-N 1 1 278.783 2.720 20 30 CFEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1coc(C#N)c1 ZINC000865076317 638181637 /nfs/dbraw/zinc/18/16/37/638181637.db2.gz GAFXNYGKDAULHA-CQSZACIVSA-N 1 1 289.379 2.536 20 30 CFEDMO C[C@@H]1CCC[N@H+]1CCNc1cc(C(F)(F)F)cc(C#N)n1 ZINC000865564727 638426283 /nfs/dbraw/zinc/42/62/83/638426283.db2.gz OZSRHTOXUVTHKG-SNVBAGLBSA-N 1 1 298.312 2.868 20 30 CFEDMO CCc1nc(C)c(C[NH2+]Cc2cc(C#N)ccc2N(C)C)o1 ZINC000865577127 638434702 /nfs/dbraw/zinc/43/47/02/638434702.db2.gz FNMRNQKYSKHGEX-UHFFFAOYSA-N 1 1 298.390 2.773 20 30 CFEDMO CC1(c2ccc(C[NH2+]Cc3ccc(C#N)o3)cc2)OCCO1 ZINC000865669462 638501827 /nfs/dbraw/zinc/50/18/27/638501827.db2.gz DUMRPPXTTWAKKO-UHFFFAOYSA-N 1 1 298.342 2.661 20 30 CFEDMO C[N@H+]1CCN(c2snc(Cl)c2C#N)CCC1(C)C ZINC000866114624 638743926 /nfs/dbraw/zinc/74/39/26/638743926.db2.gz MUBVOXMNVMCFTJ-UHFFFAOYSA-N 1 1 284.816 2.589 20 30 CFEDMO N#Cc1cc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)ncn1 ZINC000866191964 638766361 /nfs/dbraw/zinc/76/63/61/638766361.db2.gz BIVZRTHZLVAAMI-HNNXBMFYSA-N 1 1 285.395 2.557 20 30 CFEDMO Cn1ncc(C#N)c1NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000866191943 638766450 /nfs/dbraw/zinc/76/64/50/638766450.db2.gz AZCDEEXUYRTEPR-HNNXBMFYSA-N 1 1 287.411 2.501 20 30 CFEDMO N#Cc1cc(NC[C@H]2CC[N@H+]2C2CCCCCC2)ncn1 ZINC000866191965 638766486 /nfs/dbraw/zinc/76/64/86/638766486.db2.gz BIVZRTHZLVAAMI-OAHLLOKOSA-N 1 1 285.395 2.557 20 30 CFEDMO N#Cc1cncc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)n1 ZINC000866193927 638767112 /nfs/dbraw/zinc/76/71/12/638767112.db2.gz SOPQKBYBFBWKLX-HNNXBMFYSA-N 1 1 285.395 2.557 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1cc(C#N)ccn1 ZINC000866194406 638767453 /nfs/dbraw/zinc/76/74/53/638767453.db2.gz IRQLLYKPUFKPIR-HNNXBMFYSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1cc(C#N)ccn1 ZINC000866194406 638767456 /nfs/dbraw/zinc/76/74/56/638767456.db2.gz IRQLLYKPUFKPIR-HNNXBMFYSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3c(C#N)cnc4ccccc43)CC[C@@H]21 ZINC000866204891 638770132 /nfs/dbraw/zinc/77/01/32/638770132.db2.gz HKGILXSOGLKMFB-DYVFJYSZSA-N 1 1 292.386 2.637 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3cc(C#N)nc4ccccc43)CC[C@H]21 ZINC000866206580 638770446 /nfs/dbraw/zinc/77/04/46/638770446.db2.gz SJBRICVBQNOTNW-CXAGYDPISA-N 1 1 292.386 2.637 20 30 CFEDMO C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1[O-] ZINC000866221404 638773353 /nfs/dbraw/zinc/77/33/53/638773353.db2.gz QXGRSIWUVXFTIA-GFCCVEGCSA-N 1 1 285.391 2.541 20 30 CFEDMO C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C#N)c1[O-] ZINC000866236358 638776595 /nfs/dbraw/zinc/77/65/95/638776595.db2.gz DCXJHYZKGMKDCH-QEJZJMRPSA-N 1 1 285.391 2.541 20 30 CFEDMO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866259497 638782513 /nfs/dbraw/zinc/78/25/13/638782513.db2.gz NEAMASDAFGWTPF-WDEREUQCSA-N 1 1 284.363 2.718 20 30 CFEDMO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1cccc(C#N)c1O ZINC000866339794 638799399 /nfs/dbraw/zinc/79/93/99/638799399.db2.gz FCMGCJIXNZHMJP-IINYFYTJSA-N 1 1 288.372 2.710 20 30 CFEDMO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2c3ccccc3OC[C@H]2F)C1 ZINC000866341063 638799431 /nfs/dbraw/zinc/79/94/31/638799431.db2.gz KJMCYEUZSLILNZ-NDPMZMCLSA-N 1 1 260.312 2.740 20 30 CFEDMO C[C@H]([NH2+]Cc1cnc2n1CCCC2)c1cccc(C#N)c1O ZINC000866354130 638802477 /nfs/dbraw/zinc/80/24/77/638802477.db2.gz HHPJVOVJINABQN-LBPRGKRZSA-N 1 1 296.374 2.647 20 30 CFEDMO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000866367973 638806350 /nfs/dbraw/zinc/80/63/50/638806350.db2.gz SCADBUKUJZYBKS-KNCOVGOOSA-N 1 1 277.339 2.781 20 30 CFEDMO Cc1ncccc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866397569 638814434 /nfs/dbraw/zinc/81/44/34/638814434.db2.gz IKVNVZAUNNKAFH-GFCCVEGCSA-N 1 1 267.332 2.818 20 30 CFEDMO N#C[C@H]1CC[C@H]([NH+]2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000866593116 638850664 /nfs/dbraw/zinc/85/06/64/638850664.db2.gz ZLNPASRFUWKWTG-JSGCOSHPSA-N 1 1 291.345 2.779 20 30 CFEDMO CCCCCCCNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000867994763 638912933 /nfs/dbraw/zinc/91/29/33/638912933.db2.gz DQGAANQMFMPTNU-HUUCEWRRSA-N 1 1 281.444 2.692 20 30 CFEDMO C=CCCCCNC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000868508043 638951539 /nfs/dbraw/zinc/95/15/39/638951539.db2.gz DDRQHDVSANLANN-INIZCTEOSA-N 1 1 287.407 2.829 20 30 CFEDMO C=CCCCCNC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000868508043 638951541 /nfs/dbraw/zinc/95/15/41/638951541.db2.gz DDRQHDVSANLANN-INIZCTEOSA-N 1 1 287.407 2.829 20 30 CFEDMO C[N@@H+](CCOC(=O)C1(C#N)CC2(CC2)C1)Cc1ccccc1 ZINC000869613557 639323203 /nfs/dbraw/zinc/32/32/03/639323203.db2.gz CZEQXSQKCRXAJD-UHFFFAOYSA-N 1 1 298.386 2.746 20 30 CFEDMO CCCC(N)=[NH+]OCc1cn(-c2ccc(Cl)cc2)nn1 ZINC000122913321 639506293 /nfs/dbraw/zinc/50/62/93/639506293.db2.gz JLAFWIQFKQUHND-UHFFFAOYSA-N 1 1 293.758 2.510 20 30 CFEDMO CC(C)C#CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000870121943 639521983 /nfs/dbraw/zinc/52/19/83/639521983.db2.gz SQKDVQUBSBGMNP-MRXNPFEDSA-N 1 1 284.403 2.551 20 30 CFEDMO C=CCOCC(=O)OC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000870732253 639798389 /nfs/dbraw/zinc/79/83/89/639798389.db2.gz CPWOBEZBNOBCGC-OAHLLOKOSA-N 1 1 281.396 2.529 20 30 CFEDMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)CC(C)(C)C#N ZINC000870784039 641064934 /nfs/dbraw/zinc/06/49/34/641064934.db2.gz CYCGPVQTBOUVSW-STQMWFEESA-N 1 1 266.385 2.732 20 30 CFEDMO CC(C)CCC(N)=[NH+]OCc1noc2c1CCCC2 ZINC000123414223 641134845 /nfs/dbraw/zinc/13/48/45/641134845.db2.gz XHUYGXGXVFTHJL-UHFFFAOYSA-N 1 1 265.357 2.778 20 30 CFEDMO N#CCCCC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888576363 641326360 /nfs/dbraw/zinc/32/63/60/641326360.db2.gz UQFNAOJXZWIBID-UHFFFAOYSA-N 1 1 272.352 2.704 20 30 CFEDMO N#CCC[C@H](C#N)CNC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000871921389 641513182 /nfs/dbraw/zinc/51/31/82/641513182.db2.gz KPJWGXRPGLQCSS-NVXWUHKLSA-N 1 1 288.439 2.817 20 30 CFEDMO C=C(C)COCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872049920 641583997 /nfs/dbraw/zinc/58/39/97/641583997.db2.gz WXOMMXKTCCIFOW-NSHDSACASA-N 1 1 282.315 2.977 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccncc2CC)no1 ZINC000872175227 641693450 /nfs/dbraw/zinc/69/34/50/641693450.db2.gz KBPNZHDLBWAOSB-LLVKDONJSA-N 1 1 278.743 2.836 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cc(C)nc(OC)c2)no1 ZINC000872181286 641696185 /nfs/dbraw/zinc/69/61/85/641696185.db2.gz GNHPCTDNUMNUCZ-JTQLQIEISA-N 1 1 294.742 2.591 20 30 CFEDMO Cc1cc(C[N@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)ccc1C#N ZINC000872260007 641723164 /nfs/dbraw/zinc/72/31/64/641723164.db2.gz GIYCQEQLXDGUFJ-BBWFWOEESA-N 1 1 284.403 2.848 20 30 CFEDMO C[NH+]1CCN(N=Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000872325297 641756133 /nfs/dbraw/zinc/75/61/33/641756133.db2.gz LHFBJEWLNVMMML-UHFFFAOYSA-N 1 1 294.811 2.531 20 30 CFEDMO Fc1ccccc1N=NC1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872341015 641759451 /nfs/dbraw/zinc/75/94/51/641759451.db2.gz YXEZAQXGMWACLU-AWEZNQCLSA-N 1 1 279.384 2.805 20 30 CFEDMO Fc1ccccc1N=NC1CCC[N@H+]2CCSC[C@@H]12 ZINC000872341015 641759455 /nfs/dbraw/zinc/75/94/55/641759455.db2.gz YXEZAQXGMWACLU-AWEZNQCLSA-N 1 1 279.384 2.805 20 30 CFEDMO C[C@@H]1C(N=Nc2cc(F)c(F)cc2F)CC[N@H+]1C ZINC000872352073 641763526 /nfs/dbraw/zinc/76/35/26/641763526.db2.gz CGJOENHRNIKSJX-SSDOTTSWSA-N 1 1 257.259 2.596 20 30 CFEDMO Cc1cc(Br)cnc1N=NC1CC[N@@H+](C)[C@H]1C ZINC000872382076 641783761 /nfs/dbraw/zinc/78/37/61/641783761.db2.gz ICQPPLZHEBTCDT-VIFPVBQESA-N 1 1 297.200 2.644 20 30 CFEDMO CN(C)c1ccncc1C=[NH+]NC[C@@H]1CCCC1(F)F ZINC000872405379 641794909 /nfs/dbraw/zinc/79/49/09/641794909.db2.gz KQTIHAZKQLETLH-LBPRGKRZSA-N 1 1 282.338 2.507 20 30 CFEDMO CCC(C=[NH+]n1c(SC)nnc1SC)CC ZINC000872417011 641802080 /nfs/dbraw/zinc/80/20/80/641802080.db2.gz GXAHVHVJIIXKDE-UHFFFAOYSA-N 1 1 258.416 2.992 20 30 CFEDMO CSc1nnc(SC)n1[NH+]=CCCC(C)C ZINC000872417636 641803612 /nfs/dbraw/zinc/80/36/12/641803612.db2.gz ICKFDPTWTFMGGI-UHFFFAOYSA-N 1 1 258.416 2.992 20 30 CFEDMO C=CCC[N@H+](C)Cn1ncc2c1ccc(C)c2C(=O)OC ZINC000872599279 641871022 /nfs/dbraw/zinc/87/10/22/641871022.db2.gz LLOUJRHPDXFNTH-UHFFFAOYSA-N 1 1 287.363 2.597 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1CCC2(CCC2)C1=O ZINC000872622200 641879123 /nfs/dbraw/zinc/87/91/23/641879123.db2.gz AXBCUSPBZRQNFY-OKILXGFUSA-N 1 1 260.381 2.530 20 30 CFEDMO C[N@H+](CCc1cccc(C#N)c1)Cn1cccnc1=S ZINC000872706102 641905929 /nfs/dbraw/zinc/90/59/29/641905929.db2.gz RUZFWPAJLJRDEG-UHFFFAOYSA-N 1 1 284.388 2.616 20 30 CFEDMO C[N@@H+](CCc1cccc(C#N)c1)Cn1cccnc1=S ZINC000872706102 641905931 /nfs/dbraw/zinc/90/59/31/641905931.db2.gz RUZFWPAJLJRDEG-UHFFFAOYSA-N 1 1 284.388 2.616 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000873111862 642015399 /nfs/dbraw/zinc/01/53/99/642015399.db2.gz HQNOSCOCDCVSAC-GJZGRUSLSA-N 1 1 293.455 2.905 20 30 CFEDMO C=C(Br)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000125122411 642462839 /nfs/dbraw/zinc/46/28/39/642462839.db2.gz QOEYNPHOHJCFFG-QMMMGPOBSA-N 1 1 259.122 2.780 20 30 CFEDMO C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CC1(C#N)CCCCC1 ZINC000874826229 642510768 /nfs/dbraw/zinc/51/07/68/642510768.db2.gz ULJLKKWBCBJXQN-GJZGRUSLSA-N 1 1 289.423 2.546 20 30 CFEDMO C=CCC(C)(C)CNC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000875618542 642651367 /nfs/dbraw/zinc/65/13/67/642651367.db2.gz IWLPLDOAXQFPGG-UHFFFAOYSA-N 1 1 281.444 2.714 20 30 CFEDMO C#C[C@H]1CC[C@H](NC(=O)NC(C)(C)C[N@H+](C)CCC)CC1 ZINC000876440580 642871325 /nfs/dbraw/zinc/87/13/25/642871325.db2.gz GWLYDQYKKJMOTQ-SHTZXODSSA-N 1 1 293.455 2.598 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000876564461 642925077 /nfs/dbraw/zinc/92/50/77/642925077.db2.gz LAZGYZABKHCMQB-QWHCGFSZSA-N 1 1 281.400 2.525 20 30 CFEDMO CC[N@H+](Cc1cc(C#N)ccc1N(C)C)C[C@H]1CCCO1 ZINC000876633063 642951085 /nfs/dbraw/zinc/95/10/85/642951085.db2.gz LYDJQZZCAUJLPB-MRXNPFEDSA-N 1 1 287.407 2.625 20 30 CFEDMO CCOc1cc(F)cc(C[NH+]2CCC(C#N)CC2)c1 ZINC000876653751 642959663 /nfs/dbraw/zinc/95/96/63/642959663.db2.gz RHDQXHMXUJXJEG-UHFFFAOYSA-N 1 1 262.328 2.960 20 30 CFEDMO CCOP(=O)(CCC[N@@H+](C)[C@H](C)CC#N)OCC ZINC000876690867 642975964 /nfs/dbraw/zinc/97/59/64/642975964.db2.gz TWOKHIKLBLBBQE-GFCCVEGCSA-N 1 1 276.317 2.877 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000876690523 642976051 /nfs/dbraw/zinc/97/60/51/642976051.db2.gz WZUZFAHIOXHYJA-KRWDZBQOSA-N 1 1 269.392 2.999 20 30 CFEDMO C#CCCOc1ccc(C[NH2+]Cc2ncccc2F)cc1 ZINC000126124253 642987827 /nfs/dbraw/zinc/98/78/27/642987827.db2.gz QBTWYPHPQUGKFE-UHFFFAOYSA-N 1 1 284.334 2.913 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCSC[C@@H]1CC(=O)OC ZINC000876758580 642996845 /nfs/dbraw/zinc/99/68/45/642996845.db2.gz KMDAAQYFJDBMQB-AWEZNQCLSA-N 1 1 283.437 2.551 20 30 CFEDMO CCC1(CO)CC[NH+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000876760238 642998533 /nfs/dbraw/zinc/99/85/33/642998533.db2.gz OJVSNBHFIYVMAZ-UHFFFAOYSA-N 1 1 293.798 2.591 20 30 CFEDMO C#CCCCCCC[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000876767018 643002000 /nfs/dbraw/zinc/00/20/00/643002000.db2.gz YUFOXJDBJFMATD-JKSUJKDBSA-N 1 1 299.480 2.858 20 30 CFEDMO CSC[C@H]1CCC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000876777139 643005189 /nfs/dbraw/zinc/00/51/89/643005189.db2.gz JQUJVQLMLHLMPX-GFCCVEGCSA-N 1 1 281.812 2.934 20 30 CFEDMO CSC[C@H]1CCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000876777139 643005190 /nfs/dbraw/zinc/00/51/90/643005190.db2.gz JQUJVQLMLHLMPX-GFCCVEGCSA-N 1 1 281.812 2.934 20 30 CFEDMO C#CCCCCCCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000876812306 643020700 /nfs/dbraw/zinc/02/07/00/643020700.db2.gz KRHWOISPLJYQAX-IRXDYDNUSA-N 1 1 262.441 2.986 20 30 CFEDMO C#CCCCCCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000876812306 643020705 /nfs/dbraw/zinc/02/07/05/643020705.db2.gz KRHWOISPLJYQAX-IRXDYDNUSA-N 1 1 262.441 2.986 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000877140574 643173407 /nfs/dbraw/zinc/17/34/07/643173407.db2.gz WKMCERQUPVEWKC-XJKSGUPXSA-N 1 1 276.355 2.659 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000877180242 643191629 /nfs/dbraw/zinc/19/16/29/643191629.db2.gz SJIDGOVAWKMMKS-MRXNPFEDSA-N 1 1 250.430 2.842 20 30 CFEDMO CO[C@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000877197930 643200553 /nfs/dbraw/zinc/20/05/53/643200553.db2.gz YKFODXAWOOMNDX-ZDUSSCGKSA-N 1 1 279.771 2.608 20 30 CFEDMO CO[C@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)CC1 ZINC000877197930 643200558 /nfs/dbraw/zinc/20/05/58/643200558.db2.gz YKFODXAWOOMNDX-ZDUSSCGKSA-N 1 1 279.771 2.608 20 30 CFEDMO C#CCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000245719285 650831328 /nfs/dbraw/zinc/83/13/28/650831328.db2.gz DEIJZBHBAKYXNP-IEBWSBKVSA-N 1 1 298.430 2.615 20 30 CFEDMO C#CCCCCCC[N@H+](CC)C[C@@H](O)C(F)(F)F ZINC000877428678 643267971 /nfs/dbraw/zinc/26/79/71/643267971.db2.gz NGZDBHSILKMLQF-GFCCVEGCSA-N 1 1 265.319 2.815 20 30 CFEDMO C#CCOc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000245719285 650831338 /nfs/dbraw/zinc/83/13/38/650831338.db2.gz DEIJZBHBAKYXNP-IEBWSBKVSA-N 1 1 298.430 2.615 20 30 CFEDMO C#CCOc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000245719285 650831340 /nfs/dbraw/zinc/83/13/40/650831340.db2.gz DEIJZBHBAKYXNP-IEBWSBKVSA-N 1 1 298.430 2.615 20 30 CFEDMO COc1cccc(C)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000877460102 643280461 /nfs/dbraw/zinc/28/04/61/643280461.db2.gz PGFKBFVKBBAOID-UHFFFAOYSA-N 1 1 267.332 2.560 20 30 CFEDMO C[C@@H]1CC[N@H+](Cc2cc(C#N)cnc2Cl)CCS1 ZINC000877475264 643293359 /nfs/dbraw/zinc/29/33/59/643293359.db2.gz FSZCNWXSUGOGOJ-SNVBAGLBSA-N 1 1 281.812 2.934 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2cc(C#N)cnc2Cl)CCS1 ZINC000877475264 643293362 /nfs/dbraw/zinc/29/33/62/643293362.db2.gz FSZCNWXSUGOGOJ-SNVBAGLBSA-N 1 1 281.812 2.934 20 30 CFEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(Cl)nn1 ZINC000877482450 643297960 /nfs/dbraw/zinc/29/79/60/643297960.db2.gz IXWCPEKKCSLOGO-CQSZACIVSA-N 1 1 284.750 2.779 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc2c(cnn2C)c1 ZINC000877483733 643299171 /nfs/dbraw/zinc/29/91/71/643299171.db2.gz QRICOMPFPQEGID-CQSZACIVSA-N 1 1 256.353 2.509 20 30 CFEDMO C#CCCCCCC[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000877491749 643305738 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276.424 2.510 20 30 CFEDMO C#CC[N@H+](Cc1ccc(OC(C)=O)cc1)C(C)(C)C ZINC000932464240 649606431 /nfs/dbraw/zinc/60/64/31/649606431.db2.gz WDZHDYPFRFCBQP-UHFFFAOYSA-N 1 1 259.349 2.846 20 30 CFEDMO C=CC[C@H](C)[N@@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000932578174 649622727 /nfs/dbraw/zinc/62/27/27/649622727.db2.gz CNCUPERGUNQQDG-VIFPVBQESA-N 1 1 259.275 2.682 20 30 CFEDMO C=CC[C@H](C)[N@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000932578174 649622730 /nfs/dbraw/zinc/62/27/30/649622730.db2.gz CNCUPERGUNQQDG-VIFPVBQESA-N 1 1 259.275 2.682 20 30 CFEDMO N#Cc1cnccc1C[N@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932889069 649658206 /nfs/dbraw/zinc/65/82/06/649658206.db2.gz BNRZEXBENFEKJI-NVXWUHKLSA-N 1 1 267.376 2.964 20 30 CFEDMO C#CCC1([NH2+]Cc2nc(Cc3ccccc3)no2)CCC1 ZINC000933303838 649686192 /nfs/dbraw/zinc/68/61/92/649686192.db2.gz SCGGLKRHOUIIIP-UHFFFAOYSA-N 1 1 281.359 2.696 20 30 CFEDMO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000933367170 649689300 /nfs/dbraw/zinc/68/93/00/649689300.db2.gz 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ZINC000933573816 649703019 /nfs/dbraw/zinc/70/30/19/649703019.db2.gz ODAYPBYCKSZQAU-CQSZACIVSA-N 1 1 296.374 2.704 20 30 CFEDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccccc3C#N)C2)n1 ZINC000933573816 649703021 /nfs/dbraw/zinc/70/30/21/649703021.db2.gz ODAYPBYCKSZQAU-CQSZACIVSA-N 1 1 296.374 2.704 20 30 CFEDMO N#Cc1ccc([C@@H]2C[N@H+](CCc3ccccn3)CCO2)cc1 ZINC000933624417 649707783 /nfs/dbraw/zinc/70/77/83/649707783.db2.gz IDUXZGADVBZHDL-SFHVURJKSA-N 1 1 293.370 2.569 20 30 CFEDMO N#Cc1ccc([C@@H]2C[N@@H+](CCc3ccccn3)CCO2)cc1 ZINC000933624417 649707787 /nfs/dbraw/zinc/70/77/87/649707787.db2.gz IDUXZGADVBZHDL-SFHVURJKSA-N 1 1 293.370 2.569 20 30 CFEDMO N#Cc1ccc([C@@H]2C[N@H+](Cc3cccc(N)c3)CCO2)cc1 ZINC000933628740 649708136 /nfs/dbraw/zinc/70/81/36/649708136.db2.gz LSVYIEUTJGMYNC-SFHVURJKSA-N 1 1 293.370 2.714 20 30 CFEDMO N#Cc1ccc([C@@H]2C[N@@H+](Cc3cccc(N)c3)CCO2)cc1 ZINC000933628740 649708137 /nfs/dbraw/zinc/70/81/37/649708137.db2.gz LSVYIEUTJGMYNC-SFHVURJKSA-N 1 1 293.370 2.714 20 30 CFEDMO N#Cc1ccc([C@@H]2C[N@H+](CC[C@H]3CCCO3)CCO2)cc1 ZINC000933631417 649709217 /nfs/dbraw/zinc/70/92/17/649709217.db2.gz ZMAGHKGSZKVPNF-SJORKVTESA-N 1 1 286.375 2.501 20 30 CFEDMO N#Cc1ccc([C@@H]2C[N@@H+](CC[C@H]3CCCO3)CCO2)cc1 ZINC000933631417 649709219 /nfs/dbraw/zinc/70/92/19/649709219.db2.gz ZMAGHKGSZKVPNF-SJORKVTESA-N 1 1 286.375 2.501 20 30 CFEDMO CC(C)C(=O)CC[N@H+](C)Cc1cc(C#N)cs1 ZINC000933771390 649720617 /nfs/dbraw/zinc/72/06/17/649720617.db2.gz GRTRAHLITWWBDP-UHFFFAOYSA-N 1 1 250.367 2.667 20 30 CFEDMO CC(C)C(=O)CC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933771390 649720618 /nfs/dbraw/zinc/72/06/18/649720618.db2.gz GRTRAHLITWWBDP-UHFFFAOYSA-N 1 1 250.367 2.667 20 30 CFEDMO C[N@@H+](CCn1cc(Cl)cn1)Cc1cc(C#N)cs1 ZINC000933770238 649720739 /nfs/dbraw/zinc/72/07/39/649720739.db2.gz ITWXPHFFFIWLFL-UHFFFAOYSA-N 1 1 280.784 2.602 20 30 CFEDMO COc1ccccc1N1CCC[N@@H+](CC2(CC#N)CC2)CC1 ZINC000934178549 649757050 /nfs/dbraw/zinc/75/70/50/649757050.db2.gz CVPKHUYGHAJJAZ-UHFFFAOYSA-N 1 1 299.418 2.901 20 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SLXZOZVBWRVUDI-NSHDSACASA-N 1 1 277.280 2.653 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000934465039 649788688 /nfs/dbraw/zinc/78/86/88/649788688.db2.gz SLXZOZVBWRVUDI-NSHDSACASA-N 1 1 277.280 2.653 20 30 CFEDMO C=CC[C@H]1CC[N@H+]1CCC(=O)Nc1cccc(C#N)c1 ZINC000934466153 649789034 /nfs/dbraw/zinc/78/90/34/649789034.db2.gz IPFUOPHJSAINGQ-HNNXBMFYSA-N 1 1 269.348 2.537 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N(C)[C@@H](C)CC(C)C ZINC000934465306 649789039 /nfs/dbraw/zinc/78/90/39/649789039.db2.gz KOYQYRJSFLCRNL-UONOGXRCSA-N 1 1 252.402 2.530 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000934465581 649789322 /nfs/dbraw/zinc/78/93/22/649789322.db2.gz MRSFOSORTZRHNH-ZDUSSCGKSA-N 1 1 263.312 2.884 20 30 CFEDMO C=CC[C@H]1CC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000934469127 649789739 /nfs/dbraw/zinc/78/97/39/649789739.db2.gz OWLSHQJUXWSLIU-LBPRGKRZSA-N 1 1 275.377 2.599 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1C[C@H](O)COc1cccc2[nH]ccc21 ZINC000934467099 649789756 /nfs/dbraw/zinc/78/97/56/649789756.db2.gz WQUIXHHRQNZOHB-KGLIPLIRSA-N 1 1 286.375 2.558 20 30 CFEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000934467191 649789890 /nfs/dbraw/zinc/78/98/90/649789890.db2.gz PRRCXDPXEIRAEW-SWLSCSKDSA-N 1 1 269.348 2.536 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000934467191 649789893 /nfs/dbraw/zinc/78/98/93/649789893.db2.gz PRRCXDPXEIRAEW-SWLSCSKDSA-N 1 1 269.348 2.536 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000934467445 649789977 /nfs/dbraw/zinc/78/99/77/649789977.db2.gz XRHWPHAZRZDGKC-AEFFLSMTSA-N 1 1 284.403 2.904 20 30 CFEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000934467445 649789980 /nfs/dbraw/zinc/78/99/80/649789980.db2.gz XRHWPHAZRZDGKC-AEFFLSMTSA-N 1 1 284.403 2.904 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1CC(=O)N[C@@H](C)c1ccccc1OC ZINC000934470048 649790600 /nfs/dbraw/zinc/79/06/00/649790600.db2.gz CAIUFBGJOSGPMH-KBPBESRZSA-N 1 1 288.391 2.523 20 30 CFEDMO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000934471908 649791021 /nfs/dbraw/zinc/79/10/21/649791021.db2.gz WBWSMELJNKQUSR-SMDDNHRTSA-N 1 1 262.328 2.803 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000934471908 649791023 /nfs/dbraw/zinc/79/10/23/649791023.db2.gz WBWSMELJNKQUSR-SMDDNHRTSA-N 1 1 262.328 2.803 20 30 CFEDMO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000934471905 649791057 /nfs/dbraw/zinc/79/10/57/649791057.db2.gz WBWSMELJNKQUSR-RISCZKNCSA-N 1 1 262.328 2.803 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000934471905 649791058 /nfs/dbraw/zinc/79/10/58/649791058.db2.gz WBWSMELJNKQUSR-RISCZKNCSA-N 1 1 262.328 2.803 20 30 CFEDMO C=CC[C@@H]1CC[N@H+]1CC(=O)Nc1ccccc1OCC ZINC000934472825 649791211 /nfs/dbraw/zinc/79/12/11/649791211.db2.gz VOVPNCLPESQMKN-CYBMUJFWSA-N 1 1 274.364 2.674 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccccc1OCC ZINC000934472825 649791214 /nfs/dbraw/zinc/79/12/14/649791214.db2.gz VOVPNCLPESQMKN-CYBMUJFWSA-N 1 1 274.364 2.674 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000934473151 649791734 /nfs/dbraw/zinc/79/17/34/649791734.db2.gz XKYURRBRERZANE-UONOGXRCSA-N 1 1 252.402 2.671 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000934473007 649791798 /nfs/dbraw/zinc/79/17/98/649791798.db2.gz TXTLLDPSAIUJSJ-LJISPDSOSA-N 1 1 264.413 2.815 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000934473145 649791820 /nfs/dbraw/zinc/79/18/20/649791820.db2.gz XKYURRBRERZANE-KBPBESRZSA-N 1 1 252.402 2.671 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000934473226 649791848 /nfs/dbraw/zinc/79/18/48/649791848.db2.gz UXYNWAQLDYCCDY-HIFRSBDPSA-N 1 1 258.365 2.972 20 30 CFEDMO C=CCCC[N@H+](CC)Cc1cncc(C(=O)OC)c1 ZINC000934643153 649811082 /nfs/dbraw/zinc/81/10/82/649811082.db2.gz QTYRUFASUYOSSN-UHFFFAOYSA-N 1 1 262.353 2.656 20 30 CFEDMO C=CCCC[N@H+](CC)Cc1cnc(C2OCCO2)s1 ZINC000934644499 649811146 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C=CCC[NH+]1CC(NC(=O)c2ccccc2C2CCC2)C1 ZINC001031321844 779422546 /nfs/dbraw/zinc/42/25/46/779422546.db2.gz BESASPABISRTDK-UHFFFAOYSA-N 1 1 284.403 2.944 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2ccsc2C(F)F)C1 ZINC001031323745 779424033 /nfs/dbraw/zinc/42/40/33/779424033.db2.gz KMIAMCYZNIIEOZ-UHFFFAOYSA-N 1 1 286.347 2.676 20 30 CFEDMO C#CC[N@H+](C)Cc1ccccc1CNC(=O)C(CC)CC ZINC001272661988 779429233 /nfs/dbraw/zinc/42/92/33/779429233.db2.gz IBDCVRCWEANYNC-UHFFFAOYSA-N 1 1 286.419 2.804 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(F)cc2Cl)C1 ZINC001031344488 779432102 /nfs/dbraw/zinc/43/21/02/779432102.db2.gz MCLFEWNVARICOB-UHFFFAOYSA-N 1 1 296.773 2.859 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(C)c(C)c2)C1 ZINC001031343588 779432531 /nfs/dbraw/zinc/43/25/31/779432531.db2.gz HIOPHSKXEUIWDF-UHFFFAOYSA-N 1 1 272.392 2.684 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cc3ccccc3[nH]2)C1 ZINC001031363219 779438590 /nfs/dbraw/zinc/43/85/90/779438590.db2.gz OEUVUXGPHWAKGV-UHFFFAOYSA-N 1 1 283.375 2.548 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2(C)CC2)CC(C)(C)C1 ZINC001089391788 779451281 /nfs/dbraw/zinc/45/12/81/779451281.db2.gz OIKFGQOIABNAMP-CQSZACIVSA-N 1 1 278.440 2.969 20 30 CFEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C(C)(C)C ZINC001099321339 779455055 /nfs/dbraw/zinc/45/50/55/779455055.db2.gz UWRGXLXXARFYOR-AWEZNQCLSA-N 1 1 278.440 2.663 20 30 CFEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)C ZINC001099321319 779455701 /nfs/dbraw/zinc/45/57/01/779455701.db2.gz UNCFLFPPYREAER-CYBMUJFWSA-N 1 1 266.429 2.825 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccsn2)CC(C)(C)C1 ZINC001089416512 779460665 /nfs/dbraw/zinc/46/06/65/779460665.db2.gz MNZUBXSWLVNWSS-GFCCVEGCSA-N 1 1 293.436 2.550 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCC2)CC(C)(C)C1 ZINC001089417282 779460695 /nfs/dbraw/zinc/46/06/95/779460695.db2.gz XQHZDGKGSGBDQM-ZBFHGGJFSA-N 1 1 290.451 2.663 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccsn2)CC(C)(C)C1 ZINC001089416514 779460800 /nfs/dbraw/zinc/46/08/00/779460800.db2.gz 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N#CCc1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1 ZINC000594508482 349435136 /nfs/dbraw/zinc/43/51/36/349435136.db2.gz UCIAAVQBWFHQQA-OAHLLOKOSA-N 1 1 266.348 2.574 20 30 CFEDMO C[C@H](CNc1cccc(F)c1C#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592818 349454768 /nfs/dbraw/zinc/45/47/68/349454768.db2.gz YNWUVRICPFNFQL-UPJWGTAASA-N 1 1 291.370 2.607 20 30 CFEDMO C[C@H](CNc1cccc(F)c1C#N)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000594592818 349454774 /nfs/dbraw/zinc/45/47/74/349454774.db2.gz YNWUVRICPFNFQL-UPJWGTAASA-N 1 1 291.370 2.607 20 30 CFEDMO Cc1cc(C)c(C#N)c(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000594599411 349457265 /nfs/dbraw/zinc/45/72/65/349457265.db2.gz JQRQDXKXRHKNEL-CVEARBPZSA-N 1 1 284.407 2.999 20 30 CFEDMO Cc1cc(C)c(C#N)c(N[C@H]2CCC[N@H+]3CCCC[C@H]23)n1 ZINC000594599420 349457367 /nfs/dbraw/zinc/45/73/67/349457367.db2.gz JQRQDXKXRHKNEL-JKSUJKDBSA-N 1 1 284.407 2.999 20 30 CFEDMO CCOC(=O)CC[N@@H+](Cc1cc(C#N)cs1)C(C)C ZINC000594609771 349462415 /nfs/dbraw/zinc/46/24/15/349462415.db2.gz BXCZLHNCIASRPL-UHFFFAOYSA-N 1 1 280.393 2.783 20 30 CFEDMO CCc1[nH+]ccn1Cc1cn(CC2(C#N)CCCCC2)nn1 ZINC000594657804 349470368 /nfs/dbraw/zinc/47/03/68/349470368.db2.gz FIPZGPSYDNNJFC-UHFFFAOYSA-N 1 1 298.394 2.559 20 30 CFEDMO Cn1cc([C@H]([NH2+]CC2(CC#N)CC2)c2ccc(F)cc2)cn1 ZINC000594708304 349477623 /nfs/dbraw/zinc/47/76/23/349477623.db2.gz SGKWAGAUQKZGEB-MRXNPFEDSA-N 1 1 298.365 2.932 20 30 CFEDMO C[C@H]([NH2+]Cc1cn(C2CCC2)nn1)c1cccc(C#N)c1 ZINC000594930621 349515148 /nfs/dbraw/zinc/51/51/48/349515148.db2.gz XUIYATANQQFWIY-LBPRGKRZSA-N 1 1 281.363 2.726 20 30 CFEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cn(C2CCC2)nn1 ZINC000594936622 349518551 /nfs/dbraw/zinc/51/85/51/349518551.db2.gz FYRFVSZKKBOQEO-KRWDZBQOSA-N 1 1 293.374 2.652 20 30 CFEDMO N#CCc1cccc(NCc2c[nH+]c3n2CCC3)c1 ZINC000594959560 349530212 /nfs/dbraw/zinc/53/02/12/349530212.db2.gz SNYCAGDCIFXXCX-UHFFFAOYSA-N 1 1 252.321 2.507 20 30 CFEDMO CCCn1nccc1C[NH2+]CC1(C#N)CCCCC1 ZINC000594982734 349537578 /nfs/dbraw/zinc/53/75/78/349537578.db2.gz HFNZOHLJNKTZDM-UHFFFAOYSA-N 1 1 260.385 2.857 20 30 CFEDMO CCCn1cc(C[NH2+]CC2(C#N)CCCCC2)cn1 ZINC000594980783 349538125 /nfs/dbraw/zinc/53/81/25/349538125.db2.gz AFEFLFZSDYBWBB-UHFFFAOYSA-N 1 1 260.385 2.857 20 30 CFEDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(C#N)c(F)c1 ZINC000595000247 349543229 /nfs/dbraw/zinc/54/32/29/349543229.db2.gz ISVNCTPJSINSRQ-UHFFFAOYSA-N 1 1 277.387 2.907 20 30 CFEDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000595000247 349543230 /nfs/dbraw/zinc/54/32/30/349543230.db2.gz ISVNCTPJSINSRQ-UHFFFAOYSA-N 1 1 277.387 2.907 20 30 CFEDMO C=CCC[NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000595061071 349571276 /nfs/dbraw/zinc/57/12/76/349571276.db2.gz YARJRUWOWUQSBI-CQSZACIVSA-N 1 1 286.335 2.583 20 30 CFEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCC1(C#N)CCCCC1 ZINC000595091061 349578029 /nfs/dbraw/zinc/57/80/29/349578029.db2.gz MVEMBKMZSUKEMW-UKRRQHHQSA-N 1 1 261.413 2.533 20 30 CFEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCC1(C#N)CCCCC1 ZINC000595091061 349578031 /nfs/dbraw/zinc/57/80/31/349578031.db2.gz MVEMBKMZSUKEMW-UKRRQHHQSA-N 1 1 261.413 2.533 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1nccn1C ZINC000595106833 349583315 /nfs/dbraw/zinc/58/33/15/349583315.db2.gz MMXQTITYPPCZSD-WDEREUQCSA-N 1 1 272.327 2.843 20 30 CFEDMO C[C@@H](CNC(=O)c1cccc(CC#N)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000068084345 346834630 /nfs/dbraw/zinc/83/46/30/346834630.db2.gz BMNPLPUPRGGDFJ-CABCVRRESA-N 1 1 299.418 2.603 20 30 CFEDMO N#CC1(CC(=O)N2CC[NH2+]Cc3ccccc32)CCCCC1 ZINC000595253905 349587490 /nfs/dbraw/zinc/58/74/90/349587490.db2.gz LASIZWUUSOFOOP-UHFFFAOYSA-N 1 1 297.402 2.987 20 30 CFEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H]2CN2CCCC2)cc1 ZINC000595309099 349599070 /nfs/dbraw/zinc/59/90/70/349599070.db2.gz PHFYILKLKGOUPH-SFHVURJKSA-N 1 1 283.419 2.661 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2CN2CCCC2)cc1 ZINC000595309099 349599075 /nfs/dbraw/zinc/59/90/75/349599075.db2.gz PHFYILKLKGOUPH-SFHVURJKSA-N 1 1 283.419 2.661 20 30 CFEDMO CC[N@@H+](C[C@H](COC)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000595296286 349594595 /nfs/dbraw/zinc/59/45/95/349594595.db2.gz ZHJWBFRBWMZCEP-XJKSGUPXSA-N 1 1 276.380 2.603 20 30 CFEDMO N#Cc1ccc(C[N@H+](CCO[C@H]2CC2(F)F)C2CC2)cc1 ZINC000595296511 349594989 /nfs/dbraw/zinc/59/49/89/349594989.db2.gz FFVVINZIQVRALT-HNNXBMFYSA-N 1 1 292.329 2.947 20 30 CFEDMO COC[C@@H](C[N@H+](Cc1ccc(C#N)cc1)CC(C)C)OC ZINC000595297317 349595260 /nfs/dbraw/zinc/59/52/60/349595260.db2.gz QXIKSIQZJGPFAL-QGZVFWFLSA-N 1 1 290.407 2.678 20 30 CFEDMO C[N@H+]1CCC[C@H]2C[NH+](CCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000595344439 349606304 /nfs/dbraw/zinc/60/63/04/349606304.db2.gz FICHUYMVGPZIIO-ROUUACIJSA-N 1 1 283.419 2.517 20 30 CFEDMO N#C[C@@H](c1ccccc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000595348050 349607093 /nfs/dbraw/zinc/60/70/93/349607093.db2.gz YASVPLSXIGSJED-HNNXBMFYSA-N 1 1 266.348 2.854 20 30 CFEDMO CCN1CC[C@@H]([N@H+](C)CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595346838 349607136 /nfs/dbraw/zinc/60/71/36/349607136.db2.gz MGYLJZRVSAFPIR-MAUKXSAKSA-N 1 1 285.435 2.905 20 30 CFEDMO CCN1CC[C@@H]([N@@H+](C)CCc2ccc(C#N)cc2)C[C@@H]1C ZINC000595346838 349607138 /nfs/dbraw/zinc/60/71/38/349607138.db2.gz MGYLJZRVSAFPIR-MAUKXSAKSA-N 1 1 285.435 2.905 20 30 CFEDMO N#C[C@H](c1ccccc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000595375275 349612387 /nfs/dbraw/zinc/61/23/87/349612387.db2.gz BJEAEFVGVCBXSL-HUUCEWRRSA-N 1 1 266.348 2.854 20 30 CFEDMO CCCC[N@@H+](CCCO)CCc1ccc(C#N)cc1 ZINC000595425371 349621316 /nfs/dbraw/zinc/62/13/16/349621316.db2.gz QRAVQVHVARGDJZ-UHFFFAOYSA-N 1 1 260.381 2.585 20 30 CFEDMO COc1cc(C[NH2+]C2(c3cccc(C#N)c3)CC2)sn1 ZINC000595419200 349619898 /nfs/dbraw/zinc/61/98/98/349619898.db2.gz XAIDHGZIXJIDHB-UHFFFAOYSA-N 1 1 285.372 2.802 20 30 CFEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)[C@H](C)[C@H](C)O1 ZINC000595447597 349629545 /nfs/dbraw/zinc/62/95/45/349629545.db2.gz IQWRGUDHMWFXLI-MCIONIFRSA-N 1 1 258.365 2.598 20 30 CFEDMO CC(C)[C@H]1CN([C@H](C#N)c2ccccc2)CC[N@H+]1C ZINC000595461803 349634687 /nfs/dbraw/zinc/63/46/87/349634687.db2.gz NXIOLTPSCOUSIB-HZPDHXFCSA-N 1 1 257.381 2.523 20 30 CFEDMO Cc1ccncc1C[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595464299 349634913 /nfs/dbraw/zinc/63/49/13/349634913.db2.gz ILPSWBHDTYFSCY-UHFFFAOYSA-N 1 1 265.360 2.936 20 30 CFEDMO C[C@H](O)C[C@H]1CCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595465206 349634992 /nfs/dbraw/zinc/63/49/92/349634992.db2.gz HPITYOLLHCLBHS-WMLDXEAASA-N 1 1 272.392 2.726 20 30 CFEDMO C[N@H+]1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1(C)C ZINC000595470056 349636953 /nfs/dbraw/zinc/63/69/53/349636953.db2.gz LLAHMRJLOJOULV-AWEZNQCLSA-N 1 1 277.799 2.931 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000595477041 349638597 /nfs/dbraw/zinc/63/85/97/349638597.db2.gz PPXUAWBYJMLKMV-IRXDYDNUSA-N 1 1 270.376 2.744 20 30 CFEDMO CC(C)n1cc(C2=CCC[N@H+](CC3(C#N)CC3)CC2)nn1 ZINC000595519593 349649495 /nfs/dbraw/zinc/64/94/95/349649495.db2.gz AFZAXNAZONAGOW-UHFFFAOYSA-N 1 1 285.395 2.642 20 30 CFEDMO CC(C)n1cc(C2=CCC[N@@H+](CC3(C#N)CC3)CC2)nn1 ZINC000595519593 349649498 /nfs/dbraw/zinc/64/94/98/349649498.db2.gz AFZAXNAZONAGOW-UHFFFAOYSA-N 1 1 285.395 2.642 20 30 CFEDMO CC(C)[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCCO1 ZINC000595504536 349644300 /nfs/dbraw/zinc/64/43/00/349644300.db2.gz FLONAHDVMFOBFH-QGZVFWFLSA-N 1 1 272.392 2.848 20 30 CFEDMO C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(CC#N)cc1)C2 ZINC000595505017 349644851 /nfs/dbraw/zinc/64/48/51/349644851.db2.gz PHYZWKBSGRTPND-SFHVURJKSA-N 1 1 283.419 2.670 20 30 CFEDMO C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(CC#N)cc1)C2 ZINC000595505017 349644853 /nfs/dbraw/zinc/64/48/53/349644853.db2.gz PHYZWKBSGRTPND-SFHVURJKSA-N 1 1 283.419 2.670 20 30 CFEDMO C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(CC#N)cc1)C2 ZINC000595505017 349644855 /nfs/dbraw/zinc/64/48/55/349644855.db2.gz PHYZWKBSGRTPND-SFHVURJKSA-N 1 1 283.419 2.670 20 30 CFEDMO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(CC#N)cc1)C2 ZINC000595505017 349644857 /nfs/dbraw/zinc/64/48/57/349644857.db2.gz PHYZWKBSGRTPND-SFHVURJKSA-N 1 1 283.419 2.670 20 30 CFEDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(CC#N)cc1)C2 ZINC000595505017 349644859 /nfs/dbraw/zinc/64/48/59/349644859.db2.gz PHYZWKBSGRTPND-SFHVURJKSA-N 1 1 283.419 2.670 20 30 CFEDMO C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccc(C#N)cc1)C2 ZINC000595503729 349644885 /nfs/dbraw/zinc/64/48/85/349644885.db2.gz AUCRIOFIWPCYEO-GOSISDBHSA-N 1 1 283.419 2.518 20 30 CFEDMO C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1ccc(C#N)cc1)C2 ZINC000595503729 349644886 /nfs/dbraw/zinc/64/48/86/349644886.db2.gz AUCRIOFIWPCYEO-GOSISDBHSA-N 1 1 283.419 2.518 20 30 CFEDMO C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC000595503729 349644887 /nfs/dbraw/zinc/64/48/87/349644887.db2.gz AUCRIOFIWPCYEO-GOSISDBHSA-N 1 1 283.419 2.518 20 30 CFEDMO CN1CC[C@@]2(C1)CCC[N@H+](CCc1ccc(C#N)cc1)C2 ZINC000595503729 349644888 /nfs/dbraw/zinc/64/48/88/349644888.db2.gz AUCRIOFIWPCYEO-GOSISDBHSA-N 1 1 283.419 2.518 20 30 CFEDMO CN1CC[C@@]2(C1)CCC[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC000595503729 349644889 /nfs/dbraw/zinc/64/48/89/349644889.db2.gz AUCRIOFIWPCYEO-GOSISDBHSA-N 1 1 283.419 2.518 20 30 CFEDMO C[N@@H+]1CC[C@@]2(C1)CCCN(CCc1ccc(C#N)cc1)C2 ZINC000595503729 349644890 /nfs/dbraw/zinc/64/48/90/349644890.db2.gz AUCRIOFIWPCYEO-GOSISDBHSA-N 1 1 283.419 2.518 20 30 CFEDMO C[N@H+]1CC[C@@]2(C1)CCCN(CCc1ccc(C#N)cc1)C2 ZINC000595503729 349644891 /nfs/dbraw/zinc/64/48/91/349644891.db2.gz AUCRIOFIWPCYEO-GOSISDBHSA-N 1 1 283.419 2.518 20 30 CFEDMO C[N@H+]1CC[C@]2(C1)CCCN([C@H](C#N)c1ccccc1)C2 ZINC000595505772 349645688 /nfs/dbraw/zinc/64/56/88/349645688.db2.gz YCYZQKOLXSXMGK-SJORKVTESA-N 1 1 269.392 2.669 20 30 CFEDMO Cc1ccc(C[N@@H+](C)CCc2ccc(C#N)cc2)nc1 ZINC000595509843 349646832 /nfs/dbraw/zinc/64/68/32/349646832.db2.gz XCAXHQRNSRUXHX-UHFFFAOYSA-N 1 1 265.360 2.936 20 30 CFEDMO CC[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)[C@@H](CC)CO1 ZINC000595558192 349659004 /nfs/dbraw/zinc/65/90/04/349659004.db2.gz MYVONJGTEIVSDK-IRXDYDNUSA-N 1 1 272.392 2.990 20 30 CFEDMO C[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)C2(CCC2)CO1 ZINC000595562237 349660466 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ZXCHNKGOPZHVRL-LBPRGKRZSA-N 1 1 297.318 2.652 20 30 CFEDMO CC(C)(C)C[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000452079937 243035870 /nfs/dbraw/zinc/03/58/70/243035870.db2.gz OELIHXJYZRQNPZ-ZBFHGGJFSA-N 1 1 299.418 2.843 20 30 CFEDMO Cc1cc(C#N)cc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000455998887 244044241 /nfs/dbraw/zinc/04/42/41/244044241.db2.gz KAYCRJFJIIDSTP-ZBFHGGJFSA-N 1 1 298.390 2.615 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000276072357 193205387 /nfs/dbraw/zinc/20/53/87/193205387.db2.gz AANOITLXADLHSO-CHWSQXEVSA-N 1 1 278.371 2.899 20 30 CFEDMO C=CCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000276089977 193211007 /nfs/dbraw/zinc/21/10/07/193211007.db2.gz MJDYKRPKEDKAGJ-HZPDHXFCSA-N 1 1 287.407 2.649 20 30 CFEDMO Cc1cc(C#N)cc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000456969256 244340732 /nfs/dbraw/zinc/34/07/32/244340732.db2.gz QJCQNBHPPXVZNR-BETUJISGSA-N 1 1 271.364 2.678 20 30 CFEDMO C[C@@H]1COCCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000676714935 541781200 /nfs/dbraw/zinc/78/12/00/541781200.db2.gz UERLBCAFYCTGPT-CYBMUJFWSA-N 1 1 263.768 2.802 20 30 CFEDMO C[C@@H]1COCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000676714935 541781203 /nfs/dbraw/zinc/78/12/03/541781203.db2.gz UERLBCAFYCTGPT-CYBMUJFWSA-N 1 1 263.768 2.802 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000276197588 193240174 /nfs/dbraw/zinc/24/01/74/193240174.db2.gz UZGVKUNOPLQHCA-KRWDZBQOSA-N 1 1 298.390 2.794 20 30 CFEDMO C=CCC[N@H+](C)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000276341129 193293726 /nfs/dbraw/zinc/29/37/26/193293726.db2.gz CIUQYBKGSIIXTQ-AEFFLSMTSA-N 1 1 289.419 2.949 20 30 CFEDMO C=CCC[N@H+](C)Cc1cc(C(=O)OC)sc1C ZINC000276341347 193293802 /nfs/dbraw/zinc/29/38/02/193293802.db2.gz CLJDQIVCBAMSAQ-UHFFFAOYSA-N 1 1 253.367 2.851 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000276372460 193304693 /nfs/dbraw/zinc/30/46/93/193304693.db2.gz HADSAWAANHCQDU-DZGCQCFKSA-N 1 1 288.391 2.523 20 30 CFEDMO C=CCC[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000276375857 193305860 /nfs/dbraw/zinc/30/58/60/193305860.db2.gz HKFYKBMQFHWFEZ-UHFFFAOYSA-N 1 1 280.375 2.967 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000677048277 541813997 /nfs/dbraw/zinc/81/39/97/541813997.db2.gz TXPYXZCDQGKUBT-INWMFGNUSA-N 1 1 263.356 2.941 20 30 CFEDMO COCC#CC[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000677133488 541826372 /nfs/dbraw/zinc/82/63/72/541826372.db2.gz YUTDAODFZCMFDJ-KRWDZBQOSA-N 1 1 257.377 2.733 20 30 CFEDMO N#Cc1cccc([N+](=O)[O-])c1Cn1c[nH+]c2c1CCCC2 ZINC000459492456 245197160 /nfs/dbraw/zinc/19/71/60/245197160.db2.gz WQTVIGAXLMQADJ-UHFFFAOYSA-N 1 1 282.303 2.590 20 30 CFEDMO CCc1nc(C)c([C@H](C)[N@H+](C)CC#CCOC)s1 ZINC000677133272 541826064 /nfs/dbraw/zinc/82/60/64/541826064.db2.gz PQBVQAISTYIDGE-LBPRGKRZSA-N 1 1 266.410 2.657 20 30 CFEDMO CCc1nc(C)c([C@H](C)[N@@H+](C)CC#CCOC)s1 ZINC000677133272 541826066 /nfs/dbraw/zinc/82/60/66/541826066.db2.gz PQBVQAISTYIDGE-LBPRGKRZSA-N 1 1 266.410 2.657 20 30 CFEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1ccn(C)n1 ZINC000459791426 245328935 /nfs/dbraw/zinc/32/89/35/245328935.db2.gz NMIGMNDUVSLQEL-VXGBXAGGSA-N 1 1 254.337 2.704 20 30 CFEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ncc(C#N)cn1 ZINC000331925405 204300935 /nfs/dbraw/zinc/30/09/35/204300935.db2.gz HXFVGHTVNBMXAM-XBFCOCLRSA-N 1 1 256.353 2.501 20 30 CFEDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccc(C#N)c1 ZINC000332002965 204380046 /nfs/dbraw/zinc/38/00/46/204380046.db2.gz RCYJIZJBWZSSKO-IKGGRYGDSA-N 1 1 298.386 2.864 20 30 CFEDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(C#N)c1 ZINC000332002965 204380049 /nfs/dbraw/zinc/38/00/49/204380049.db2.gz RCYJIZJBWZSSKO-IKGGRYGDSA-N 1 1 298.386 2.864 20 30 CFEDMO C=CCOc1cccc(C[NH2+]Cc2cc(C)ncn2)c1 ZINC000677425574 541856901 /nfs/dbraw/zinc/85/69/01/541856901.db2.gz IJAVSSKQPXGJNQ-UHFFFAOYSA-N 1 1 269.348 2.640 20 30 CFEDMO COCC#CC[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000677477626 541864051 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Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1C#N ZINC000335292511 379036015 /nfs/dbraw/zinc/03/60/15/379036015.db2.gz CCVDZKDCGRCWQC-WMLDXEAASA-N 1 1 271.408 2.781 20 30 CFEDMO Cc1c(C[N@@H+]2CC=C(c3ccc(C#N)cc3)CC2)cnn1C ZINC000334300181 379057269 /nfs/dbraw/zinc/05/72/69/379057269.db2.gz SXRGKKGVSIVFPT-UHFFFAOYSA-N 1 1 292.386 2.890 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)NC(=O)CO2 ZINC000335313005 379065676 /nfs/dbraw/zinc/06/56/76/379065676.db2.gz IGDIANZIXLJVBJ-CYBMUJFWSA-N 1 1 272.348 2.558 20 30 CFEDMO CC(C)[N@H+]1CCCN(Cc2cc(C#N)cs2)CC1 ZINC000335321564 379085688 /nfs/dbraw/zinc/08/56/88/379085688.db2.gz UHTPTHPJGHGNCO-UHFFFAOYSA-N 1 1 263.410 2.536 20 30 CFEDMO C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(C#N)cc1F ZINC000334343588 379127898 /nfs/dbraw/zinc/12/78/98/379127898.db2.gz RFJAGPPJUGNWMB-GWCFXTLKSA-N 1 1 284.338 2.629 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c(F)c1 ZINC000334347207 379133097 /nfs/dbraw/zinc/13/30/97/379133097.db2.gz RAMSCVFAOCYBPE-OAHLLOKOSA-N 1 1 288.366 2.946 20 30 CFEDMO CC(C)(C#N)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000170901971 379188794 /nfs/dbraw/zinc/18/87/94/379188794.db2.gz GZTMTPUHHKSVFV-UHFFFAOYSA-N 1 1 299.418 2.659 20 30 CFEDMO CC(C)(C#N)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000170901971 379188804 /nfs/dbraw/zinc/18/88/04/379188804.db2.gz GZTMTPUHHKSVFV-UHFFFAOYSA-N 1 1 299.418 2.659 20 30 CFEDMO C=CC[N@@H+](CCO[C@H]1CCCCO1)CCc1ccco1 ZINC000278877990 194194476 /nfs/dbraw/zinc/19/44/76/194194476.db2.gz SYIKFFZSURHKEP-INIZCTEOSA-N 1 1 279.380 2.853 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000048617365 412910316 /nfs/dbraw/zinc/91/03/16/412910316.db2.gz GMYUZERWHKGPPA-ZDUSSCGKSA-N 1 1 278.371 2.901 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335410240 379241770 /nfs/dbraw/zinc/24/17/70/379241770.db2.gz ZSNUUJCJYJKCNF-CJNGLKHVSA-N 1 1 288.416 2.827 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335410240 379241780 /nfs/dbraw/zinc/24/17/80/379241780.db2.gz ZSNUUJCJYJKCNF-CJNGLKHVSA-N 1 1 288.416 2.827 20 30 CFEDMO CC(C)(C)CC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000334415203 379259434 /nfs/dbraw/zinc/25/94/34/379259434.db2.gz WWGBDMSDPKCZJC-FZKQIMNGSA-N 1 1 297.402 2.768 20 30 CFEDMO N#Cc1ccc(C[NH+]2CCC(n3cc(Cl)cn3)CC2)o1 ZINC000334461461 379339996 /nfs/dbraw/zinc/33/99/96/379339996.db2.gz VZXSVBXYCYMUDJ-UHFFFAOYSA-N 1 1 290.754 2.838 20 30 CFEDMO COC(=O)c1cccc2c1CC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000334514004 379431178 /nfs/dbraw/zinc/43/11/78/379431178.db2.gz OOOYHDAEXPSMOT-TZMCWYRMSA-N 1 1 284.359 2.524 20 30 CFEDMO Cc1oc(NC(=O)C[N@@H+]2CCCC23CCC3)c(C#N)c1C ZINC000335525014 379452092 /nfs/dbraw/zinc/45/20/92/379452092.db2.gz MZDPNAAAMCKKIA-UHFFFAOYSA-N 1 1 287.363 2.725 20 30 CFEDMO Cc1oc(NC(=O)C[N@H+]2CCCC23CCC3)c(C#N)c1C ZINC000335525014 379452100 /nfs/dbraw/zinc/45/21/00/379452100.db2.gz MZDPNAAAMCKKIA-UHFFFAOYSA-N 1 1 287.363 2.725 20 30 CFEDMO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000335555573 379504600 /nfs/dbraw/zinc/50/46/00/379504600.db2.gz NJJUDQNRKZPCQY-VXGBXAGGSA-N 1 1 278.783 2.662 20 30 CFEDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000335555573 379504605 /nfs/dbraw/zinc/50/46/05/379504605.db2.gz NJJUDQNRKZPCQY-VXGBXAGGSA-N 1 1 278.783 2.662 20 30 CFEDMO C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000334589473 379585451 /nfs/dbraw/zinc/58/54/51/379585451.db2.gz VNZUOBPMUCDZMP-AAEUAGOBSA-N 1 1 278.783 2.804 20 30 CFEDMO N#Cc1ccc(F)c(C[N@@H+]2CC[C@@H](O)CC23CCC3)c1 ZINC000335607427 379595191 /nfs/dbraw/zinc/59/51/91/379595191.db2.gz DGASCYLBGMLFCD-CQSZACIVSA-N 1 1 274.339 2.577 20 30 CFEDMO C=CCC[N@H+](CC)CC(=O)Nc1c(F)cccc1F ZINC000172618980 379608740 /nfs/dbraw/zinc/60/87/40/379608740.db2.gz YLUNOZFPCSTYLX-UHFFFAOYSA-N 1 1 268.307 2.801 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000334648231 379705628 /nfs/dbraw/zinc/70/56/28/379705628.db2.gz SFBNQOAQNLMBFF-MRXNPFEDSA-N 1 1 257.333 2.672 20 30 CFEDMO CCO[C@H]1C[C@H]([N@@H+](C)CCCSCC#N)C1(C)C ZINC000173898415 379794906 /nfs/dbraw/zinc/79/49/06/379794906.db2.gz NTDNWPLICLMWEZ-STQMWFEESA-N 1 1 270.442 2.769 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1F ZINC000334689792 379770897 /nfs/dbraw/zinc/77/08/97/379770897.db2.gz OIHZVIGQSGTJNE-MRXNPFEDSA-N 1 1 274.339 2.700 20 30 CFEDMO CC1(C#N)CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000334724000 379828824 /nfs/dbraw/zinc/82/88/24/379828824.db2.gz BICQZIIPEWMQAR-UHFFFAOYSA-N 1 1 255.365 2.696 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](n3cccn3)C2)cc1F ZINC000335752293 379831393 /nfs/dbraw/zinc/83/13/93/379831393.db2.gz GNEZIDBNSANHKN-HNNXBMFYSA-N 1 1 284.338 2.731 20 30 CFEDMO CCOc1ccccc1C[NH2+]Cc1ccc(C#N)o1 ZINC000174297864 379860042 /nfs/dbraw/zinc/86/00/42/379860042.db2.gz MUGHNBQUCBJEEJ-UHFFFAOYSA-N 1 1 256.305 2.840 20 30 CFEDMO Cc1cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1C#N ZINC000335749599 379828218 /nfs/dbraw/zinc/82/82/18/379828218.db2.gz KEFAYMHTPFBCFJ-MRXNPFEDSA-N 1 1 280.375 2.969 20 30 CFEDMO Cc1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)ccc1C#N ZINC000335801253 379911494 /nfs/dbraw/zinc/91/14/94/379911494.db2.gz XWBSSGQEMJKNTI-UHFFFAOYSA-N 1 1 283.419 2.927 20 30 CFEDMO C=C1CC[NH+]([C@H](C)C(=O)NCCc2ccc(F)cc2)CC1 ZINC000264452598 383741383 /nfs/dbraw/zinc/74/13/83/383741383.db2.gz IKYUQMATHMWIMC-CQSZACIVSA-N 1 1 290.382 2.525 20 30 CFEDMO N#CC1(C[N@@H+]2CC[C@]3(C2)CCc2ccccc2O3)CC1 ZINC000335870911 380027038 /nfs/dbraw/zinc/02/70/38/380027038.db2.gz CAACPQYKECEQJD-KRWDZBQOSA-N 1 1 268.360 2.760 20 30 CFEDMO N#CC1(C[N@H+]2CC[C@]3(C2)CCc2ccccc2O3)CC1 ZINC000335870911 380027041 /nfs/dbraw/zinc/02/70/41/380027041.db2.gz CAACPQYKECEQJD-KRWDZBQOSA-N 1 1 268.360 2.760 20 30 CFEDMO C=CCCCC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000175259252 380030412 /nfs/dbraw/zinc/03/04/12/380030412.db2.gz WMUXGSBIVDCFMO-ZDUSSCGKSA-N 1 1 292.448 2.967 20 30 CFEDMO C=CCCCC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000175259252 380030421 /nfs/dbraw/zinc/03/04/21/380030421.db2.gz WMUXGSBIVDCFMO-ZDUSSCGKSA-N 1 1 292.448 2.967 20 30 CFEDMO C=CCCCC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000175402624 380057944 /nfs/dbraw/zinc/05/79/44/380057944.db2.gz ARBQLJXQRJAQOA-UHFFFAOYSA-N 1 1 278.421 2.579 20 30 CFEDMO C=CCCCC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000175402624 380057951 /nfs/dbraw/zinc/05/79/51/380057951.db2.gz ARBQLJXQRJAQOA-UHFFFAOYSA-N 1 1 278.421 2.579 20 30 CFEDMO Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1C#N ZINC000335945392 380140042 /nfs/dbraw/zinc/14/00/42/380140042.db2.gz KYTNKOCPVSFHIR-JWTNVVGKSA-N 1 1 283.419 2.924 20 30 CFEDMO Cc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1C#N ZINC000335945392 380140047 /nfs/dbraw/zinc/14/00/47/380140047.db2.gz KYTNKOCPVSFHIR-JWTNVVGKSA-N 1 1 283.419 2.924 20 30 CFEDMO C[N@H+]1CCCC12CCN(Cc1ccccc1C#N)CC2 ZINC000335949557 380146763 /nfs/dbraw/zinc/14/67/63/380146763.db2.gz SUAAYDGPKXRNKV-UHFFFAOYSA-N 1 1 269.392 2.618 20 30 CFEDMO C[C@H]1CC(C)(C)C[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000335260404 380097844 /nfs/dbraw/zinc/09/78/44/380097844.db2.gz HRXQZLBPYMAHNE-LBPRGKRZSA-N 1 1 268.364 2.826 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000336107365 380268295 /nfs/dbraw/zinc/26/82/95/380268295.db2.gz GIGQURKVZYPIHL-CYBMUJFWSA-N 1 1 284.338 2.800 20 30 CFEDMO C=C1CC[NH+](CC(=O)N(CC)Cc2cccc(F)c2)CC1 ZINC000264467891 383744001 /nfs/dbraw/zinc/74/40/01/383744001.db2.gz MPQISPRJYMGYDF-UHFFFAOYSA-N 1 1 290.382 2.826 20 30 CFEDMO C=C1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000264475746 383745002 /nfs/dbraw/zinc/74/50/02/383745002.db2.gz KDJLZYQARZHSFX-MRXNPFEDSA-N 1 1 272.392 2.858 20 30 CFEDMO N#C[C@H]1CC[C@@H]([N@H+]2Cc3ccc(O)cc3C3(CC3)C2)C1 ZINC000336328969 380321683 /nfs/dbraw/zinc/32/16/83/380321683.db2.gz BHYRMUHMOLZEGT-GXTWGEPZSA-N 1 1 268.360 2.932 20 30 CFEDMO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000176980994 380291314 /nfs/dbraw/zinc/29/13/14/380291314.db2.gz WEKDYLFTBIMZLV-IOASZLSFSA-N 1 1 286.375 2.750 20 30 CFEDMO CC#CC[N@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000336279984 380305197 /nfs/dbraw/zinc/30/51/97/380305197.db2.gz KXQCPDBKUHWCTM-INIZCTEOSA-N 1 1 255.361 2.863 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000177824562 380383286 /nfs/dbraw/zinc/38/32/86/380383286.db2.gz JUCASIQIXJZASE-RVKKMQEKSA-N 1 1 299.418 2.688 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000177824562 380383288 /nfs/dbraw/zinc/38/32/88/380383288.db2.gz JUCASIQIXJZASE-RVKKMQEKSA-N 1 1 299.418 2.688 20 30 CFEDMO C[N@H+]1CCCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000336400646 380339455 /nfs/dbraw/zinc/33/94/55/380339455.db2.gz VPNDPTGXEXLFHT-UHFFFAOYSA-N 1 1 297.324 2.715 20 30 CFEDMO C[C@@]1(O)CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000336492016 380360322 /nfs/dbraw/zinc/36/03/22/380360322.db2.gz URBPPHPOWZNXIZ-CYBMUJFWSA-N 1 1 284.281 2.534 20 30 CFEDMO C=CC[C@H]1N(C(=O)[C@@H]2CC[N@H+](C)C2)CCCC1(C)C ZINC000336494337 380363266 /nfs/dbraw/zinc/36/32/66/380363266.db2.gz HAOBEWOUDZYMCM-ZIAGYGMSSA-N 1 1 264.413 2.531 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000336531976 380424816 /nfs/dbraw/zinc/42/48/16/380424816.db2.gz RMBRVJPWVQTNOT-HOCLYGCPSA-N 1 1 288.366 2.946 20 30 CFEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000336541135 380438910 /nfs/dbraw/zinc/43/89/10/380438910.db2.gz SKPXIVQUUKZMBJ-HIFRSBDPSA-N 1 1 288.366 2.946 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000336543280 380442874 /nfs/dbraw/zinc/44/28/74/380442874.db2.gz QKJVZYIQALQKLN-HIFRSBDPSA-N 1 1 288.366 2.946 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000178091366 380408407 /nfs/dbraw/zinc/40/84/07/380408407.db2.gz ULHJRAHTQGDWBW-QGZVFWFLSA-N 1 1 270.376 2.850 20 30 CFEDMO CN(Cc1ccc(C#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000336528533 380418378 /nfs/dbraw/zinc/41/83/78/380418378.db2.gz JABDMCAZAZLRHO-SJPCQFCGSA-N 1 1 269.392 2.615 20 30 CFEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336605451 380535973 /nfs/dbraw/zinc/53/59/73/380535973.db2.gz VPDMYOHUDWVHCO-BBRMVZONSA-N 1 1 274.339 2.698 20 30 CFEDMO C#CCCOc1ccc(C[N@H+](C)CCOCC)cc1 ZINC000181491953 380807020 /nfs/dbraw/zinc/80/70/20/380807020.db2.gz HUYDHEOVWSONPX-UHFFFAOYSA-N 1 1 261.365 2.557 20 30 CFEDMO N#Cc1ccc(C[NH2+]CCc2ccc3cn[nH]c3c2)s1 ZINC000341258340 380874488 /nfs/dbraw/zinc/87/44/88/380874488.db2.gz WXBSTOPPLGSIKR-UHFFFAOYSA-N 1 1 282.372 2.828 20 30 CFEDMO CC(C)[N@@H+](CCO)Cc1ccc(Br)cc1C#N ZINC000287542480 380860904 /nfs/dbraw/zinc/86/09/04/380860904.db2.gz ZZSHRWXEKKTAHJ-UHFFFAOYSA-N 1 1 297.196 2.523 20 30 CFEDMO CCc1nn(C)cc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358558492 380925587 /nfs/dbraw/zinc/92/55/87/380925587.db2.gz CONOAKCDXZEAEM-LLVKDONJSA-N 1 1 286.354 2.844 20 30 CFEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368001835 380881333 /nfs/dbraw/zinc/88/13/33/380881333.db2.gz RJOIFRMFAXMJFJ-JGGQBBKZSA-N 1 1 283.375 2.760 20 30 CFEDMO C=C(CC)C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000358494862 380882189 /nfs/dbraw/zinc/88/21/89/380882189.db2.gz GDOBTMRZQCJPJP-HNNXBMFYSA-N 1 1 258.365 2.516 20 30 CFEDMO C=C(CC)C[NH+]1CCN(C(=O)c2cccc(F)c2)CC1 ZINC000358498738 380884256 /nfs/dbraw/zinc/88/42/56/380884256.db2.gz MQBRZLWPIBZVCT-UHFFFAOYSA-N 1 1 276.355 2.550 20 30 CFEDMO C=CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)CCC ZINC000295483550 380886938 /nfs/dbraw/zinc/88/69/38/380886938.db2.gz JIRKPBKWMZQMTA-INIZCTEOSA-N 1 1 258.365 2.707 20 30 CFEDMO C=C(CC)C[NH+]1CCN(CCc2cccs2)CC1 ZINC000358500297 380887360 /nfs/dbraw/zinc/88/73/60/380887360.db2.gz QIOPJVILDSWMBE-UHFFFAOYSA-N 1 1 264.438 2.874 20 30 CFEDMO CC[C@H](C)[N@@H+](CCO)Cc1ccc(Cl)cc1C#N ZINC000287625611 380890537 /nfs/dbraw/zinc/89/05/37/380890537.db2.gz ZZPSXWVWMGGWFO-NSHDSACASA-N 1 1 266.772 2.804 20 30 CFEDMO C=C(CC)C[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000358504430 380890403 /nfs/dbraw/zinc/89/04/03/380890403.db2.gz GHRRSYSJSCSNAQ-OAHLLOKOSA-N 1 1 276.355 2.829 20 30 CFEDMO C=C(CC)C[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000358504430 380890411 /nfs/dbraw/zinc/89/04/11/380890411.db2.gz GHRRSYSJSCSNAQ-OAHLLOKOSA-N 1 1 276.355 2.829 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc(C#N)c(F)c1 ZINC000404106757 380900656 /nfs/dbraw/zinc/90/06/56/380900656.db2.gz HDGRKABSQFKBDQ-GFCCVEGCSA-N 1 1 263.360 2.517 20 30 CFEDMO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404106757 380900663 /nfs/dbraw/zinc/90/06/63/380900663.db2.gz HDGRKABSQFKBDQ-GFCCVEGCSA-N 1 1 263.360 2.517 20 30 CFEDMO CC(C)[N@@H+](C)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358553420 380920612 /nfs/dbraw/zinc/92/06/12/380920612.db2.gz ILUMYOHYPDNJOB-GFCCVEGCSA-N 1 1 263.360 2.688 20 30 CFEDMO CC(C)N(C)CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358553420 380920617 /nfs/dbraw/zinc/92/06/17/380920617.db2.gz ILUMYOHYPDNJOB-GFCCVEGCSA-N 1 1 263.360 2.688 20 30 CFEDMO C[N@H+]1CC[C@]2(CCN(c3cccc(Cl)c3C#N)C2)C1 ZINC000295629858 380984972 /nfs/dbraw/zinc/98/49/72/380984972.db2.gz BXXZTLGTTAVZAK-HNNXBMFYSA-N 1 1 275.783 2.744 20 30 CFEDMO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cccc(C#N)c1 ZINC000181978542 380953996 /nfs/dbraw/zinc/95/39/96/380953996.db2.gz NBWUFLCHOQRZHS-ZDUSSCGKSA-N 1 1 295.390 2.727 20 30 CFEDMO C=C(CNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000287862988 380958177 /nfs/dbraw/zinc/95/81/77/380958177.db2.gz DAGOSKLKXGFCKE-HOCLYGCPSA-N 1 1 299.418 2.624 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1ccc(C#N)cc1F ZINC000358568055 380934643 /nfs/dbraw/zinc/93/46/43/380934643.db2.gz DTNJPLXSXSEZOM-VHSXEESVSA-N 1 1 258.300 2.832 20 30 CFEDMO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1F ZINC000358570718 380937314 /nfs/dbraw/zinc/93/73/14/380937314.db2.gz NZZCSZOUPQSROR-JSGCOSHPSA-N 1 1 287.382 2.832 20 30 CFEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N(C)C(C)C ZINC000411127797 381011101 /nfs/dbraw/zinc/01/11/01/381011101.db2.gz CFXMHWXZJPYTEP-HNNXBMFYSA-N 1 1 274.408 2.930 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N(C)C(C)C ZINC000411127797 381011105 /nfs/dbraw/zinc/01/11/05/381011105.db2.gz CFXMHWXZJPYTEP-HNNXBMFYSA-N 1 1 274.408 2.930 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CCc1ccccc1 ZINC000182194227 381016904 /nfs/dbraw/zinc/01/69/04/381016904.db2.gz USAZTVUCZXWSFC-IBGZPJMESA-N 1 1 294.398 2.984 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000411267440 381021028 /nfs/dbraw/zinc/02/10/28/381021028.db2.gz RNVXMHRZDRWWDU-KBPBESRZSA-N 1 1 279.428 2.553 20 30 CFEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)N1CCCCC1 ZINC000411490341 381028773 /nfs/dbraw/zinc/02/87/73/381028773.db2.gz SRUJFLKXARKWFT-OAHLLOKOSA-N 1 1 290.407 2.711 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)N1CCCCC1 ZINC000411490341 381028780 /nfs/dbraw/zinc/02/87/80/381028780.db2.gz SRUJFLKXARKWFT-OAHLLOKOSA-N 1 1 290.407 2.711 20 30 CFEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC(C3CC3)CC2)c1 ZINC000368325773 380989002 /nfs/dbraw/zinc/98/90/02/380989002.db2.gz AWEFYUBHVKTBOF-UHFFFAOYSA-N 1 1 283.375 2.619 20 30 CFEDMO CCCC[N@@H+](CCCO)Cc1ccc(C#N)cc1OC ZINC000182147162 381004049 /nfs/dbraw/zinc/00/40/49/381004049.db2.gz ORUAKPMQTRBKDN-UHFFFAOYSA-N 1 1 276.380 2.551 20 30 CFEDMO N#Cc1cccc(OCCC[N@H+]2CCC[C@@]23CCOC3)c1 ZINC000368502334 381049995 /nfs/dbraw/zinc/04/99/95/381049995.db2.gz FZGCQONJHCBBCH-KRWDZBQOSA-N 1 1 286.375 2.582 20 30 CFEDMO C#C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000289579795 381052845 /nfs/dbraw/zinc/05/28/45/381052845.db2.gz TWMNGKGOGVBSNO-YQQAZPJKSA-N 1 1 256.393 2.651 20 30 CFEDMO C#C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000289579795 381052850 /nfs/dbraw/zinc/05/28/50/381052850.db2.gz TWMNGKGOGVBSNO-YQQAZPJKSA-N 1 1 256.393 2.651 20 30 CFEDMO CC#CCNc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000182302814 381055924 /nfs/dbraw/zinc/05/59/24/381055924.db2.gz WGCJHOFVYGHIQF-GJZGRUSLSA-N 1 1 272.392 2.731 20 30 CFEDMO CO[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000368530813 381056870 /nfs/dbraw/zinc/05/68/70/381056870.db2.gz PZNFHSJRCQGTSR-HNNXBMFYSA-N 1 1 280.412 2.588 20 30 CFEDMO C=CC[C@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000358759066 381063297 /nfs/dbraw/zinc/06/32/97/381063297.db2.gz PWDUNPIGIJKSJF-UXLLHSPISA-N 1 1 286.419 2.897 20 30 CFEDMO C=C(C[NH2+]Cc1cn(C(C)C)nn1)c1ccccc1 ZINC000289613359 381067645 /nfs/dbraw/zinc/06/76/45/381067645.db2.gz FEEHWZZDONSLIK-UHFFFAOYSA-N 1 1 256.353 2.662 20 30 CFEDMO C[C@]1(C(N)=O)CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411525193 381032375 /nfs/dbraw/zinc/03/23/75/381032375.db2.gz LOGDXFPHFOZQRM-OAHLLOKOSA-N 1 1 277.412 2.580 20 30 CFEDMO C[C@@H](C[S@](C)=O)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411511240 381032688 /nfs/dbraw/zinc/03/26/88/381032688.db2.gz IHEUGLICJHDVMM-UGSOOPFHSA-N 1 1 270.442 2.549 20 30 CFEDMO CCC[C@@]1(C)C(=O)NCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411603561 381035893 /nfs/dbraw/zinc/03/58/93/381035893.db2.gz FDOBGDGHXXKONF-INIZCTEOSA-N 1 1 291.439 2.841 20 30 CFEDMO CCC[C@@]1(C)C(=O)NCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411603561 381035896 /nfs/dbraw/zinc/03/58/96/381035896.db2.gz FDOBGDGHXXKONF-INIZCTEOSA-N 1 1 291.439 2.841 20 30 CFEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000354034586 381036543 /nfs/dbraw/zinc/03/65/43/381036543.db2.gz SNTIJYIKXWWVKZ-KRWDZBQOSA-N 1 1 279.343 2.607 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000354034586 381036551 /nfs/dbraw/zinc/03/65/51/381036551.db2.gz SNTIJYIKXWWVKZ-KRWDZBQOSA-N 1 1 279.343 2.607 20 30 CFEDMO C[C@@H](C#N)C[N@H+](Cc1ccc2c(c1)CCO2)C1CC1 ZINC000354044113 381042036 /nfs/dbraw/zinc/04/20/36/381042036.db2.gz FNZKWPRGTSQLBB-LBPRGKRZSA-N 1 1 256.349 2.746 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc2c(c1)CCO2)C1CC1 ZINC000354044113 381042038 /nfs/dbraw/zinc/04/20/38/381042038.db2.gz FNZKWPRGTSQLBB-LBPRGKRZSA-N 1 1 256.349 2.746 20 30 CFEDMO C[C@@H]1[C@H](O)CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000295803384 381084862 /nfs/dbraw/zinc/08/48/62/381084862.db2.gz AVAJBRQRIJOSOE-IUODEOHRSA-N 1 1 297.320 2.902 20 30 CFEDMO CCC[N@@H+](CCc1ccccn1)Cc1cc(C#N)n(C)c1 ZINC000289664587 381091290 /nfs/dbraw/zinc/09/12/90/381091290.db2.gz DCRIAZIIFUFHNZ-UHFFFAOYSA-N 1 1 282.391 2.746 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccncc2)o1 ZINC000289702022 381111018 /nfs/dbraw/zinc/11/10/18/381111018.db2.gz GCSWITJBUJQGGV-HNNXBMFYSA-N 1 1 253.305 2.883 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccncc2)o1 ZINC000289702022 381111026 /nfs/dbraw/zinc/11/10/26/381111026.db2.gz GCSWITJBUJQGGV-HNNXBMFYSA-N 1 1 253.305 2.883 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](CCC)C1 ZINC000341602522 381115923 /nfs/dbraw/zinc/11/59/23/381115923.db2.gz CWTAPJUUMBLCGC-HNNXBMFYSA-N 1 1 264.413 2.699 20 30 CFEDMO C=CCNC(=O)C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000182606477 381120231 /nfs/dbraw/zinc/12/02/31/381120231.db2.gz DTZDONDKENOQJN-VIFPVBQESA-N 1 1 287.190 2.946 20 30 CFEDMO N#Cc1ccc(CN(c2[nH+]cnc3[nH]ccc32)C2CC2)cc1 ZINC000354098830 381078348 /nfs/dbraw/zinc/07/83/48/381078348.db2.gz MTEIURXNQADLPG-UHFFFAOYSA-N 1 1 289.342 2.999 20 30 CFEDMO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368801987 381138651 /nfs/dbraw/zinc/13/86/51/381138651.db2.gz IFMGACRQDSWTDH-HUUCEWRRSA-N 1 1 298.390 2.615 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000289801857 381167133 /nfs/dbraw/zinc/16/71/33/381167133.db2.gz SKDIPHDECUCPRZ-CABCVRRESA-N 1 1 297.320 2.803 20 30 CFEDMO C=C(Br)C[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000368812954 381141005 /nfs/dbraw/zinc/14/10/05/381141005.db2.gz AWTRGFCSBZJDEY-NSHDSACASA-N 1 1 274.202 2.786 20 30 CFEDMO C[N@@H+](CC1CCC1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182779756 381156200 /nfs/dbraw/zinc/15/62/00/381156200.db2.gz RLCAOTDMRIIMRS-QGZVFWFLSA-N 1 1 297.402 2.786 20 30 CFEDMO COC(=O)[C@@]1(C)CCC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000412060853 381133359 /nfs/dbraw/zinc/13/33/59/381133359.db2.gz GVQJRLRZXGBSBZ-GUYCJALGSA-N 1 1 286.375 2.894 20 30 CFEDMO CCOC(=O)C[C@H](C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000182661655 381133611 /nfs/dbraw/zinc/13/36/11/381133611.db2.gz JUQARMGJBRDWDD-ZDUSSCGKSA-N 1 1 293.794 2.965 20 30 CFEDMO C=C[C@](C)(CC)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000347483269 381179353 /nfs/dbraw/zinc/17/93/53/381179353.db2.gz MBYVCDYUQPKKKE-MRXNPFEDSA-N 1 1 266.429 2.827 20 30 CFEDMO CC#CCC[N@H+](CCOC)[C@@H]1CCCc2cccnc21 ZINC000369020384 381182231 /nfs/dbraw/zinc/18/22/31/381182231.db2.gz XKHSABCVTWMUGM-MRXNPFEDSA-N 1 1 272.392 2.821 20 30 CFEDMO C=CCCC[N@@H+]1C[C@H](CC)O[C@@]2(CCCOC2)C1 ZINC000369168344 381204574 /nfs/dbraw/zinc/20/45/74/381204574.db2.gz YPAZRAUZEDOCCT-GJZGRUSLSA-N 1 1 253.386 2.613 20 30 CFEDMO C=CC[C@H](C)NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000342084501 381210245 /nfs/dbraw/zinc/21/02/45/381210245.db2.gz LMFAWSKFRHKSKK-BFHYXJOUSA-N 1 1 267.417 2.513 20 30 CFEDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(OC)c(C#N)c1 ZINC000289903677 381212042 /nfs/dbraw/zinc/21/20/42/381212042.db2.gz RDCAXJNXJWAJCJ-CQSZACIVSA-N 1 1 289.423 2.777 20 30 CFEDMO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000289903677 381212044 /nfs/dbraw/zinc/21/20/44/381212044.db2.gz RDCAXJNXJWAJCJ-CQSZACIVSA-N 1 1 289.423 2.777 20 30 CFEDMO CC1(C)C[C@H](O)CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000296029612 381219490 /nfs/dbraw/zinc/21/94/90/381219490.db2.gz MJUUCCUBYNBNMM-MRXNPFEDSA-N 1 1 257.377 2.521 20 30 CFEDMO CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccs1 ZINC000347615831 381256860 /nfs/dbraw/zinc/25/68/60/381256860.db2.gz RDSQFPAJSOVNAB-ZFWWWQNUSA-N 1 1 299.399 2.887 20 30 CFEDMO C=CC[N@H+](CCc1cncn1C)Cc1cccc(C#N)c1 ZINC000290021466 381266346 /nfs/dbraw/zinc/26/63/46/381266346.db2.gz MRDWYNYPPMSSFN-UHFFFAOYSA-N 1 1 280.375 2.522 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCCO[C@@H]3CCC[C@H]32)c1 ZINC000369469974 381268652 /nfs/dbraw/zinc/26/86/52/381268652.db2.gz MDFBDZYFGWDWCM-HZPDHXFCSA-N 1 1 256.349 2.702 20 30 CFEDMO CO[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)CC1(C)C ZINC000296130068 381268732 /nfs/dbraw/zinc/26/87/32/381268732.db2.gz SEWWNGUFFGEZDA-INIZCTEOSA-N 1 1 288.391 2.684 20 30 CFEDMO CO[C@@H](C)C[N@@H+](CCOc1ccc(C#N)cc1)C(C)C ZINC000354369589 381229687 /nfs/dbraw/zinc/22/96/87/381229687.db2.gz UEWDVEZIICUYHA-AWEZNQCLSA-N 1 1 276.380 2.682 20 30 CFEDMO CO[C@H](C)C[N@@H+](CCOc1cccc(C#N)c1)C(C)C ZINC000354469314 381291018 /nfs/dbraw/zinc/29/10/18/381291018.db2.gz WKZFSNOUVLECKF-CQSZACIVSA-N 1 1 276.380 2.682 20 30 CFEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)c1 ZINC000290081083 381292438 /nfs/dbraw/zinc/29/24/38/381292438.db2.gz YYRYJSAOBVECCG-MRXNPFEDSA-N 1 1 266.348 2.510 20 30 CFEDMO C=CC[N@H+](C[C@H](CC)CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000183638201 381299262 /nfs/dbraw/zinc/29/92/62/381299262.db2.gz IIKBATLFSROXQJ-HUUCEWRRSA-N 1 1 287.469 2.878 20 30 CFEDMO C=CC[N@H+](Cc1ccccc1)C[C@@H]1CCNC(=O)CC1 ZINC000296205160 381300530 /nfs/dbraw/zinc/30/05/30/381300530.db2.gz CIXRNBOONFFIRS-INIZCTEOSA-N 1 1 272.392 2.591 20 30 CFEDMO CC[NH+]1C[C@@H](C)N(CCCC(C)(C)C#N)[C@H](C)C1 ZINC000347702188 381304064 /nfs/dbraw/zinc/30/40/64/381304064.db2.gz FFTUZRAFYITKEG-ZIAGYGMSSA-N 1 1 251.418 2.731 20 30 CFEDMO CO[C@H]1CC[N@@H+](CCOc2ccccc2C#N)CC1(C)C ZINC000296145717 381274164 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CC[C@H](F)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000440703021 384128173 /nfs/dbraw/zinc/12/81/73/384128173.db2.gz GIXJIZIENOAFCX-KRWDZBQOSA-N 1 1 289.398 2.814 20 30 CFEDMO C=CCCC(C)(C)CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000637623665 384140451 /nfs/dbraw/zinc/14/04/51/384140451.db2.gz JVCVJXCBGXQIKT-OAHLLOKOSA-N 1 1 295.471 2.962 20 30 CFEDMO Cc1ccnc([C@H]2CC[N@H+](C[C@@H](C#N)CCC#N)C2)c1 ZINC000574999439 384174069 /nfs/dbraw/zinc/17/40/69/384174069.db2.gz FINFJCNRLNKHCQ-CABCVRRESA-N 1 1 268.364 2.623 20 30 CFEDMO Cc1ccnc([C@H]2CC[N@@H+](C[C@@H](C#N)CCC#N)C2)c1 ZINC000574999439 384174075 /nfs/dbraw/zinc/17/40/75/384174075.db2.gz FINFJCNRLNKHCQ-CABCVRRESA-N 1 1 268.364 2.623 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1ccc2oc(=O)n(C)c2c1 ZINC000637837620 384212556 /nfs/dbraw/zinc/21/25/56/384212556.db2.gz JFCPMORJSRSWJL-UHFFFAOYSA-N 1 1 260.337 2.530 20 30 CFEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1cc(Cl)ccc1OC ZINC000266943301 384266402 /nfs/dbraw/zinc/26/64/02/384266402.db2.gz 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Cc1c[nH+]ccc1OC1CCN(c2cccc(C#N)n2)CC1 ZINC000278530479 384589311 /nfs/dbraw/zinc/58/93/11/384589311.db2.gz UDHXYCDZPBSVIU-UHFFFAOYSA-N 1 1 294.358 2.705 20 30 CFEDMO CC[N@@H+](CC1(C(=O)OC)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000279254776 384609840 /nfs/dbraw/zinc/60/98/40/384609840.db2.gz SKDSACWKCLOHAT-CYBMUJFWSA-N 1 1 286.375 2.894 20 30 CFEDMO C=CCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000279545296 384672679 /nfs/dbraw/zinc/67/26/79/384672679.db2.gz MEHRGXCKRVIEHS-JKSUJKDBSA-N 1 1 287.407 2.697 20 30 CFEDMO CCCCC(N)=[NH+]OCc1ccn(C2CCCC2)n1 ZINC000268582786 384635958 /nfs/dbraw/zinc/63/59/58/384635958.db2.gz KYKSUPGEPXIMIW-UHFFFAOYSA-N 1 1 264.373 2.977 20 30 CFEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc(Cl)c(C#N)n2)C1 ZINC000269092281 384725307 /nfs/dbraw/zinc/72/53/07/384725307.db2.gz LUAMCAPDMSPCBE-RISCZKNCSA-N 1 1 290.798 2.527 20 30 CFEDMO N#CCOc1ccc(C[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000268950316 384700348 /nfs/dbraw/zinc/70/03/48/384700348.db2.gz CEKDLNGPRSHHDI-UHFFFAOYSA-N 1 1 286.375 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20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1c(C)nc2sc(C)nn21 ZINC000270990068 385293243 /nfs/dbraw/zinc/29/32/43/385293243.db2.gz HCTZHHKJSDGLRZ-UHFFFAOYSA-N 1 1 264.398 2.806 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)C[C@H](C)O1 ZINC000282507756 385330398 /nfs/dbraw/zinc/33/03/98/385330398.db2.gz YQKYBJROQWHANM-SWLSCSKDSA-N 1 1 274.364 2.566 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)C[C@H](C)O1 ZINC000282507756 385330405 /nfs/dbraw/zinc/33/04/05/385330405.db2.gz YQKYBJROQWHANM-SWLSCSKDSA-N 1 1 274.364 2.566 20 30 CFEDMO COCC[N@@H+](CCOCC(C)C)Cc1ccc(C#N)cc1 ZINC000282677066 385367515 /nfs/dbraw/zinc/36/75/15/385367515.db2.gz NCHDEOYLVIJTLG-UHFFFAOYSA-N 1 1 290.407 2.679 20 30 CFEDMO C#CC[N@H+](CC)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282758188 385383749 /nfs/dbraw/zinc/38/37/49/385383749.db2.gz HXHXTAZMXWEJBM-UHFFFAOYSA-N 1 1 267.376 2.851 20 30 CFEDMO C#CCCC[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000271068386 385327881 /nfs/dbraw/zinc/32/78/81/385327881.db2.gz 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293.798 2.561 20 30 CFEDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc(C#N)cc4F)[C@H]1[C@H]3C2 ZINC000286693067 385687324 /nfs/dbraw/zinc/68/73/24/385687324.db2.gz VYYSKVYGBXRMRL-CUINURIISA-N 1 1 286.350 2.553 20 30 CFEDMO Fc1ccc(C#CC[N@@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000639777518 385702721 /nfs/dbraw/zinc/70/27/21/385702721.db2.gz LCQQHBSYVVEPCF-INIZCTEOSA-N 1 1 269.323 2.737 20 30 CFEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000639777518 385702724 /nfs/dbraw/zinc/70/27/24/385702724.db2.gz LCQQHBSYVVEPCF-INIZCTEOSA-N 1 1 269.323 2.737 20 30 CFEDMO C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776746 385703364 /nfs/dbraw/zinc/70/33/64/385703364.db2.gz FEMSJILNPKZRPX-MRXNPFEDSA-N 1 1 251.333 2.598 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000639776746 385703369 /nfs/dbraw/zinc/70/33/69/385703369.db2.gz FEMSJILNPKZRPX-MRXNPFEDSA-N 1 1 251.333 2.598 20 30 CFEDMO CC#CCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000274098698 385718417 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393806398 /nfs/dbraw/zinc/80/63/98/393806398.db2.gz KQNNYXZQBZGRGC-UHFFFAOYSA-N 1 1 263.337 2.803 20 30 CFEDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@H+]1CCOCCC#N ZINC000339017108 393811224 /nfs/dbraw/zinc/81/12/24/393811224.db2.gz IMHFHVROWSLEJR-LLVKDONJSA-N 1 1 280.318 2.814 20 30 CFEDMO C[C@@H]1c2cc(F)cc(F)c2CC[N@@H+]1CCOCCC#N ZINC000339017108 393811229 /nfs/dbraw/zinc/81/12/29/393811229.db2.gz IMHFHVROWSLEJR-LLVKDONJSA-N 1 1 280.318 2.814 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000339078109 393816191 /nfs/dbraw/zinc/81/61/91/393816191.db2.gz HWDFDCOLSGMFNQ-CJNGLKHVSA-N 1 1 290.382 2.996 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000339078110 393816517 /nfs/dbraw/zinc/81/65/17/393816517.db2.gz HWDFDCOLSGMFNQ-CZUORRHYSA-N 1 1 290.382 2.996 20 30 CFEDMO C[C@H](c1nccs1)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000339093476 393818012 /nfs/dbraw/zinc/81/80/12/393818012.db2.gz FTNUHAIHILFFPP-MCIONIFRSA-N 1 1 290.436 2.514 20 30 CFEDMO Cc1nc([C@H]2CCC[N@@H+]2CCOCCC#N)cs1 ZINC000339092259 393818069 /nfs/dbraw/zinc/81/80/69/393818069.db2.gz DKTRCBKPFYWGKL-CYBMUJFWSA-N 1 1 265.382 2.519 20 30 CFEDMO Cc1nc([C@H]2CCC[N@H+]2CCOCCC#N)cs1 ZINC000339092259 393818072 /nfs/dbraw/zinc/81/80/72/393818072.db2.gz DKTRCBKPFYWGKL-CYBMUJFWSA-N 1 1 265.382 2.519 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C[C@H]1n1ccnc1 ZINC000245729128 393825411 /nfs/dbraw/zinc/82/54/11/393825411.db2.gz FACOMTLLLBHBAS-SWLSCSKDSA-N 1 1 286.404 2.899 20 30 CFEDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000345709306 393914245 /nfs/dbraw/zinc/91/42/45/393914245.db2.gz JCUNHSSXPKTWSC-CQSZACIVSA-N 1 1 293.455 2.801 20 30 CFEDMO C=C[C@H](C)NC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000342823362 393871022 /nfs/dbraw/zinc/87/10/22/393871022.db2.gz ITJRDSPXKIXIGS-GARJFASQSA-N 1 1 292.345 2.586 20 30 CFEDMO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000342840499 393871886 /nfs/dbraw/zinc/87/18/86/393871886.db2.gz RITCSZSXXXPIAU-AWEZNQCLSA-N 1 1 266.429 2.683 20 30 CFEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000342857850 393872444 /nfs/dbraw/zinc/87/24/44/393872444.db2.gz MJBDWKALWLHNHW-CQSZACIVSA-N 1 1 264.413 2.840 20 30 CFEDMO CC(C)[N@H+]1CC[C@@H](CNc2ccc(F)cc2C#N)C1 ZINC000111026668 393882818 /nfs/dbraw/zinc/88/28/18/393882818.db2.gz IKWHLSJSUKHLNM-LBPRGKRZSA-N 1 1 261.344 2.840 20 30 CFEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2C)c(C#N)c1C ZINC000246764290 393884248 /nfs/dbraw/zinc/88/42/48/393884248.db2.gz YHPSQNXORUILMI-CMPLNLGQSA-N 1 1 289.379 2.827 20 30 CFEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2C)c(C#N)c1C ZINC000246764290 393884250 /nfs/dbraw/zinc/88/42/50/393884250.db2.gz YHPSQNXORUILMI-CMPLNLGQSA-N 1 1 289.379 2.827 20 30 CFEDMO C=CC[C@@H](C(=O)N1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000426996369 393890832 /nfs/dbraw/zinc/89/08/32/393890832.db2.gz ZTKYDUPWCPYOJJ-GOEBONIOSA-N 1 1 272.392 2.509 20 30 CFEDMO C=CC[C@@H](C(=O)N1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000426996369 393890838 /nfs/dbraw/zinc/89/08/38/393890838.db2.gz ZTKYDUPWCPYOJJ-GOEBONIOSA-N 1 1 272.392 2.509 20 30 CFEDMO C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCOC1 ZINC000427022562 393891417 /nfs/dbraw/zinc/89/14/17/393891417.db2.gz JPZHOAZMZGUORB-CQSZACIVSA-N 1 1 283.293 2.778 20 30 CFEDMO CCOC(=O)CC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000427602015 393894326 /nfs/dbraw/zinc/89/43/26/393894326.db2.gz NMOHNWNLFBALEE-UHFFFAOYSA-N 1 1 279.767 2.577 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344129066 393896231 /nfs/dbraw/zinc/89/62/31/393896231.db2.gz XLJAMQJCHDVOMG-GOEBONIOSA-N 1 1 278.440 2.922 20 30 CFEDMO C[N@@H+](CCCC#N)C1CCN(Cc2ccccc2)CC1 ZINC000114480779 393900122 /nfs/dbraw/zinc/90/01/22/393900122.db2.gz ZNZIYJZQQXAOAH-UHFFFAOYSA-N 1 1 271.408 2.887 20 30 CFEDMO CN(CCCC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114480779 393900123 /nfs/dbraw/zinc/90/01/23/393900123.db2.gz ZNZIYJZQQXAOAH-UHFFFAOYSA-N 1 1 271.408 2.887 20 30 CFEDMO C=C(C)C[N@@H+](CC(=O)NCC(C)C)Cc1ccccc1 ZINC000470907954 393902241 /nfs/dbraw/zinc/90/22/41/393902241.db2.gz VOQGGXBJKADOEU-UHFFFAOYSA-N 1 1 274.408 2.837 20 30 CFEDMO C=C(C)C[N@H+](CC(=O)NCC(C)C)Cc1ccccc1 ZINC000470907954 393902245 /nfs/dbraw/zinc/90/22/45/393902245.db2.gz VOQGGXBJKADOEU-UHFFFAOYSA-N 1 1 274.408 2.837 20 30 CFEDMO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H]1CCCO1 ZINC000119660930 393923107 /nfs/dbraw/zinc/92/31/07/393923107.db2.gz TWDNWYWUKVUXFB-MRXNPFEDSA-N 1 1 256.349 2.725 20 30 CFEDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cccc(F)c4C#N)[C@H]1[C@H]3C2 ZINC000428936753 393923131 /nfs/dbraw/zinc/92/31/31/393923131.db2.gz BXCGSDSFPKQFRP-UCQBOQSVSA-N 1 1 286.350 2.553 20 30 CFEDMO C=CC[N@@H+](CCOC)Cc1oc(CCC)nc1C ZINC000428943648 393924244 /nfs/dbraw/zinc/92/42/44/393924244.db2.gz QCPNWYVACALAEE-UHFFFAOYSA-N 1 1 252.358 2.570 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1oc(CCC)nc1C ZINC000428943648 393924247 /nfs/dbraw/zinc/92/42/47/393924247.db2.gz QCPNWYVACALAEE-UHFFFAOYSA-N 1 1 252.358 2.570 20 30 CFEDMO CC1(C)C[N@H+](CCCSCC#N)C[C@@H](C(F)(F)F)O1 ZINC000428948443 393924731 /nfs/dbraw/zinc/92/47/31/393924731.db2.gz VTNZOKCLUALFGG-JTQLQIEISA-N 1 1 296.358 2.675 20 30 CFEDMO CC1(C)C[N@@H+](CCCSCC#N)C[C@@H](C(F)(F)F)O1 ZINC000428948443 393924735 /nfs/dbraw/zinc/92/47/35/393924735.db2.gz VTNZOKCLUALFGG-JTQLQIEISA-N 1 1 296.358 2.675 20 30 CFEDMO C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCCC#N)CC2)C1 ZINC000346326664 393926040 /nfs/dbraw/zinc/92/60/40/393926040.db2.gz YVWOOKUEAZNSJG-GDBMZVCRSA-N 1 1 263.429 2.923 20 30 CFEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000428983535 393929244 /nfs/dbraw/zinc/92/92/44/393929244.db2.gz VPRZVZMZDPVHSR-JTQLQIEISA-N 1 1 284.281 2.758 20 30 CFEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000428983535 393929248 /nfs/dbraw/zinc/92/92/48/393929248.db2.gz VPRZVZMZDPVHSR-JTQLQIEISA-N 1 1 284.281 2.758 20 30 CFEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC[C@@H]1CCOC1=O ZINC000120788296 393940853 /nfs/dbraw/zinc/94/08/53/393940853.db2.gz GRECJHOVGIQBLU-ZACQAIPSSA-N 1 1 298.386 2.711 20 30 CFEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC[C@@H]1CCOC1=O ZINC000120788296 393940856 /nfs/dbraw/zinc/94/08/56/393940856.db2.gz GRECJHOVGIQBLU-ZACQAIPSSA-N 1 1 298.386 2.711 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000121242201 393952879 /nfs/dbraw/zinc/95/28/79/393952879.db2.gz KBUDODPZQJKSNG-INIZCTEOSA-N 1 1 295.386 2.801 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](c3ccn[nH]3)C2)cc1 ZINC000121242201 393952884 /nfs/dbraw/zinc/95/28/84/393952884.db2.gz KBUDODPZQJKSNG-INIZCTEOSA-N 1 1 295.386 2.801 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccn(C)c1)Cc1ccc(CO)o1 ZINC000348647413 393955409 /nfs/dbraw/zinc/95/54/09/393955409.db2.gz QOFFYRSYKKLPKH-UHFFFAOYSA-N 1 1 274.364 2.689 20 30 CFEDMO C=C(C)C[N@H+](Cc1ccn(C)c1)Cc1ccc(CO)o1 ZINC000348647413 393955412 /nfs/dbraw/zinc/95/54/12/393955412.db2.gz QOFFYRSYKKLPKH-UHFFFAOYSA-N 1 1 274.364 2.689 20 30 CFEDMO COc1cc(C)c(C[NH+]2CCC(F)(C#N)CC2)cc1OC ZINC000348707718 393956503 /nfs/dbraw/zinc/95/65/03/393956503.db2.gz JSMWJASLBSFQPC-UHFFFAOYSA-N 1 1 292.354 2.840 20 30 CFEDMO C=CCOc1ccccc1C[N@H+](C)[C@@H]1CCCOC1 ZINC000348712616 393957443 /nfs/dbraw/zinc/95/74/43/393957443.db2.gz VHADUGBRJXKKPP-OAHLLOKOSA-N 1 1 261.365 2.862 20 30 CFEDMO C=CCOc1ccccc1C[N@H+](C)C1CC(OC)C1 ZINC000348709498 393957475 /nfs/dbraw/zinc/95/74/75/393957475.db2.gz BQTXUCDKCMWCPL-UHFFFAOYSA-N 1 1 261.365 2.861 20 30 CFEDMO Oc1ccccc1/C=N/CC[N@@H+]1CCc2sccc2C1 ZINC000122206943 393966002 /nfs/dbraw/zinc/96/60/02/393966002.db2.gz JMUOUTPHMHNWEP-GZTJUZNOSA-N 1 1 286.400 2.931 20 30 CFEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C#N)C2CC2)cc1 ZINC000349485591 393970335 /nfs/dbraw/zinc/97/03/35/393970335.db2.gz SANCLNOJDGFNFY-KRWDZBQOSA-N 1 1 299.418 2.950 20 30 CFEDMO CC1=C[C@H](C)C[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000430273744 393976799 /nfs/dbraw/zinc/97/67/99/393976799.db2.gz FOJYZRQBNWIUKJ-ZDUSSCGKSA-N 1 1 256.349 2.835 20 30 CFEDMO CC1=C[C@H](C)C[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000430282189 393978757 /nfs/dbraw/zinc/97/87/57/393978757.db2.gz DZVLMIZFEZNDPK-ZDUSSCGKSA-N 1 1 283.375 2.785 20 30 CFEDMO CC1=C[C@@H](C)C[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000430285226 393979436 /nfs/dbraw/zinc/97/94/36/393979436.db2.gz PRSJPLZZSOQOKY-CYBMUJFWSA-N 1 1 283.375 2.785 20 30 CFEDMO CC(C)[C@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000351198647 393981945 /nfs/dbraw/zinc/98/19/45/393981945.db2.gz GGJBPOAZDRBMHE-XJKSGUPXSA-N 1 1 258.365 2.976 20 30 CFEDMO CC(C)[C@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CCO1 ZINC000351198647 393981948 /nfs/dbraw/zinc/98/19/48/393981948.db2.gz GGJBPOAZDRBMHE-XJKSGUPXSA-N 1 1 258.365 2.976 20 30 CFEDMO CC(C)[C@H]1CN(c2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000487105864 393984272 /nfs/dbraw/zinc/98/42/72/393984272.db2.gz WOZVRCKCRMMEHB-OAHLLOKOSA-N 1 1 277.799 2.988 20 30 CFEDMO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000268279513 393991498 /nfs/dbraw/zinc/99/14/98/393991498.db2.gz FMAPAJURARMCBY-HOTGVXAUSA-N 1 1 276.355 2.823 20 30 CFEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000268279513 393991502 /nfs/dbraw/zinc/99/15/02/393991502.db2.gz FMAPAJURARMCBY-HOTGVXAUSA-N 1 1 276.355 2.823 20 30 CFEDMO C[C@H](CCC#N)[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000351330454 393992730 /nfs/dbraw/zinc/99/27/30/393992730.db2.gz PWKUHKRRZJAGOH-OAHLLOKOSA-N 1 1 291.439 2.793 20 30 CFEDMO CCCC[N@@H+](C)CCNc1nnc(CC)c(CC)c1C#N ZINC000126350579 394025812 /nfs/dbraw/zinc/02/58/12/394025812.db2.gz FWLGUVJAAXQOPL-UHFFFAOYSA-N 1 1 289.427 2.617 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1cncc(Br)c1 ZINC000124975946 394000594 /nfs/dbraw/zinc/00/05/94/394000594.db2.gz GVTGECAAQXTYRO-NSHDSACASA-N 1 1 268.158 2.626 20 30 CFEDMO C=C(C)CC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000351758899 394006933 /nfs/dbraw/zinc/00/69/33/394006933.db2.gz LCJFKPRZZNYIEC-KBPBESRZSA-N 1 1 255.427 2.939 20 30 CFEDMO C=C(C)CC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000352399777 394013998 /nfs/dbraw/zinc/01/39/98/394013998.db2.gz BGRLCQBZBRNDSD-QLFBSQMISA-N 1 1 253.386 2.611 20 30 CFEDMO C=C(C)CC[N@@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C ZINC000352422943 394014062 /nfs/dbraw/zinc/01/40/62/394014062.db2.gz VSVPPEUENQITKJ-AEFFLSMTSA-N 1 1 289.419 2.995 20 30 CFEDMO C[NH+](C)C1(CNCc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000418119772 394014376 /nfs/dbraw/zinc/01/43/76/394014376.db2.gz YHEQXCBUXDNQHU-UHFFFAOYSA-N 1 1 297.324 2.761 20 30 CFEDMO Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CC(C)(C)C#N)o1 ZINC000354017086 394040490 /nfs/dbraw/zinc/04/04/90/394040490.db2.gz GUCCSQHRLWFSHV-UHFFFAOYSA-N 1 1 272.352 2.960 20 30 CFEDMO Cc1ccc(-c2n[nH]cc2C[N@H+](C)CC(C)(C)C#N)o1 ZINC000354017086 394040492 /nfs/dbraw/zinc/04/04/92/394040492.db2.gz GUCCSQHRLWFSHV-UHFFFAOYSA-N 1 1 272.352 2.960 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000489426573 394041282 /nfs/dbraw/zinc/04/12/82/394041282.db2.gz BXYRNZZTSMFUDR-OAHLLOKOSA-N 1 1 269.348 2.537 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000489426573 394041285 /nfs/dbraw/zinc/04/12/85/394041285.db2.gz BXYRNZZTSMFUDR-OAHLLOKOSA-N 1 1 269.348 2.537 20 30 CFEDMO C#CC[N@@H+](Cc1ccc(C#N)cn1)C1CCCCC1 ZINC000491683124 394055653 /nfs/dbraw/zinc/05/56/53/394055653.db2.gz WSJLHJALKAPNNG-UHFFFAOYSA-N 1 1 253.349 2.721 20 30 CFEDMO C#C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(Cl)cc1F ZINC000491733624 394058140 /nfs/dbraw/zinc/05/81/40/394058140.db2.gz BICYICYRUNGACR-SMDDNHRTSA-N 1 1 267.731 2.922 20 30 CFEDMO C[N@@H+](CC[C@@H]1CCOC1)Cc1cc(C#N)ccc1F ZINC000437582814 394060396 /nfs/dbraw/zinc/06/03/96/394060396.db2.gz OHBUOIYNUPWFQL-GFCCVEGCSA-N 1 1 262.328 2.556 20 30 CFEDMO C=CC[N@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H](C)CC ZINC000355268907 394062058 /nfs/dbraw/zinc/06/20/58/394062058.db2.gz OMZDKCAXQYBVAK-HUUCEWRRSA-N 1 1 274.408 2.978 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H](C)CC ZINC000355268907 394062061 /nfs/dbraw/zinc/06/20/61/394062061.db2.gz OMZDKCAXQYBVAK-HUUCEWRRSA-N 1 1 274.408 2.978 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCC(F)(F)F ZINC000355439933 394065358 /nfs/dbraw/zinc/06/53/58/394065358.db2.gz PTAMPIZHCOLROZ-NSHDSACASA-N 1 1 280.334 2.684 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCC(F)(F)F ZINC000355439933 394065360 /nfs/dbraw/zinc/06/53/60/394065360.db2.gz PTAMPIZHCOLROZ-NSHDSACASA-N 1 1 280.334 2.684 20 30 CFEDMO CO[C@@]1(C)CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000279216622 394065948 /nfs/dbraw/zinc/06/59/48/394065948.db2.gz CJWQSCJXZZZTAP-INIZCTEOSA-N 1 1 261.340 2.678 20 30 CFEDMO N#Cc1ccc(CSCC[NH+]2CCOCC2)c(Cl)c1 ZINC000438897881 394086342 /nfs/dbraw/zinc/08/63/42/394086342.db2.gz GMMRIZPNJBHOKC-UHFFFAOYSA-N 1 1 296.823 2.777 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000492883909 394088892 /nfs/dbraw/zinc/08/88/92/394088892.db2.gz RXSYMYOMEUQLRR-GFCCVEGCSA-N 1 1 254.374 2.504 20 30 CFEDMO Cc1cc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1C#N ZINC000487903916 394029294 /nfs/dbraw/zinc/02/92/94/394029294.db2.gz CJPOZCWZUGXZLA-UONOGXRCSA-N 1 1 298.308 2.754 20 30 CFEDMO C[NH+](C)C1(CN[C@@H]2CCc3ccc(C#N)cc32)CCC1 ZINC000353636755 394033378 /nfs/dbraw/zinc/03/33/78/394033378.db2.gz ORDCLBNZKYNZTO-MRXNPFEDSA-N 1 1 269.392 2.619 20 30 CFEDMO Cc1ccc2ncc(C#N)c(N[C@@H]3CCC[N@@H+](C)[C@@H]3C)c2c1 ZINC000488129348 394036246 /nfs/dbraw/zinc/03/62/46/394036246.db2.gz RCDKAMJHUTVNLP-CZUORRHYSA-N 1 1 294.402 2.731 20 30 CFEDMO C=CCC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282015816 394110839 /nfs/dbraw/zinc/11/08/39/394110839.db2.gz JYFZVONHBSSFAE-CQSZACIVSA-N 1 1 259.397 2.975 20 30 CFEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc(C#N)cc1Cl ZINC000439440127 394115261 /nfs/dbraw/zinc/11/52/61/394115261.db2.gz POYIQXYZVOAUEX-VXGBXAGGSA-N 1 1 277.799 2.736 20 30 CFEDMO CN(Cc1ccc(C#N)cc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000439444777 394115754 /nfs/dbraw/zinc/11/57/54/394115754.db2.gz CGRLQPIVVHGNMC-AWEZNQCLSA-N 1 1 291.826 2.985 20 30 CFEDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000439451859 394115840 /nfs/dbraw/zinc/11/58/40/394115840.db2.gz MVZBFZQJFIHWNA-ZDUSSCGKSA-N 1 1 292.766 2.739 20 30 CFEDMO CC(C)CN1CCCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000130872115 394120394 /nfs/dbraw/zinc/12/03/94/394120394.db2.gz VDPQBPANXZLKMW-CQSZACIVSA-N 1 1 275.396 2.751 20 30 CFEDMO C=CCN1CC[C@H]([N@H+]2CCCCC[C@H]2c2ccco2)C1=O ZINC000282136593 394121726 /nfs/dbraw/zinc/12/17/26/394121726.db2.gz ZFVANIWOGGDJNX-GJZGRUSLSA-N 1 1 288.391 2.984 20 30 CFEDMO C[C@@H](c1ccco1)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000131067969 394124757 /nfs/dbraw/zinc/12/47/57/394124757.db2.gz CXUPVESQBAHJIC-LBPRGKRZSA-N 1 1 280.331 2.992 20 30 CFEDMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000131067969 394124761 /nfs/dbraw/zinc/12/47/61/394124761.db2.gz CXUPVESQBAHJIC-LBPRGKRZSA-N 1 1 280.331 2.992 20 30 CFEDMO C=C(C)CC[N@@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000283979796 394133862 /nfs/dbraw/zinc/13/38/62/394133862.db2.gz CRJNIJDWZUZLMK-KRWDZBQOSA-N 1 1 258.409 2.811 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc(C#N)ccc1Cl ZINC000285346195 394142144 /nfs/dbraw/zinc/14/21/44/394142144.db2.gz PPCJQWJVJCRULK-LLVKDONJSA-N 1 1 293.798 2.672 20 30 CFEDMO C=C1CC[NH+]([C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000360290831 394147319 /nfs/dbraw/zinc/14/73/19/394147319.db2.gz HWWGJTCLOAHEPP-INIZCTEOSA-N 1 1 288.366 2.973 20 30 CFEDMO CCN(C(=O)CCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000360653284 394156872 /nfs/dbraw/zinc/15/68/72/394156872.db2.gz OWPAOEONBRCKAN-KRWDZBQOSA-N 1 1 299.418 2.803 20 30 CFEDMO CCCCCCCCOCC(=O)N1CCC[N@@H+](C)CC1 ZINC000360925856 394160901 /nfs/dbraw/zinc/16/09/01/394160901.db2.gz HMOLUBMYZXYZQW-UHFFFAOYSA-N 1 1 284.444 2.528 20 30 CFEDMO C=CCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000132763754 394161758 /nfs/dbraw/zinc/16/17/58/394161758.db2.gz WUZNIHYXDQZGEF-UHFFFAOYSA-N 1 1 296.773 2.813 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000361078891 394165024 /nfs/dbraw/zinc/16/50/24/394165024.db2.gz JWZHIELPKYRWTH-CQSZACIVSA-N 1 1 297.345 2.701 20 30 CFEDMO C=CCOc1ccc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)cc1 ZINC000361153860 394166613 /nfs/dbraw/zinc/16/66/13/394166613.db2.gz KSJMHUCAHQLQSO-CABCVRRESA-N 1 1 274.408 2.776 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)cc1 ZINC000361153860 394166615 /nfs/dbraw/zinc/16/66/15/394166615.db2.gz KSJMHUCAHQLQSO-CABCVRRESA-N 1 1 274.408 2.776 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CCN(C)[C@H](C)[C@@H]2C)cc1 ZINC000361153860 394166618 /nfs/dbraw/zinc/16/66/18/394166618.db2.gz KSJMHUCAHQLQSO-CABCVRRESA-N 1 1 274.408 2.776 20 30 CFEDMO C=CCOc1ccc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000361154058 394167156 /nfs/dbraw/zinc/16/71/56/394167156.db2.gz OFCFLRWCFDRQKR-CABCVRRESA-N 1 1 274.408 2.776 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000361154058 394167157 /nfs/dbraw/zinc/16/71/57/394167157.db2.gz OFCFLRWCFDRQKR-CABCVRRESA-N 1 1 274.408 2.776 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000361154058 394167163 /nfs/dbraw/zinc/16/71/63/394167163.db2.gz OFCFLRWCFDRQKR-CABCVRRESA-N 1 1 274.408 2.776 20 30 CFEDMO CC(C)(C)[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000361549680 394174620 /nfs/dbraw/zinc/17/46/20/394174620.db2.gz OYCCTPRHRGKDGN-JKSUJKDBSA-N 1 1 299.418 2.843 20 30 CFEDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc(C#N)c(F)c1 ZINC000421356606 394198057 /nfs/dbraw/zinc/19/80/57/394198057.db2.gz LQUUPSGPEVADKY-ZDUSSCGKSA-N 1 1 277.387 2.907 20 30 CFEDMO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421356606 394198059 /nfs/dbraw/zinc/19/80/59/394198059.db2.gz LQUUPSGPEVADKY-ZDUSSCGKSA-N 1 1 277.387 2.907 20 30 CFEDMO C=CCCCCC[N@H+](C)CC(=O)Nc1c(C)nn(C)c1C ZINC000150894164 394256050 /nfs/dbraw/zinc/25/60/50/394256050.db2.gz ITBMPQPWVPHKBP-UHFFFAOYSA-N 1 1 292.427 2.654 20 30 CFEDMO Cc1ccc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)nc1C#N ZINC000364285068 394204547 /nfs/dbraw/zinc/20/45/47/394204547.db2.gz USEMCQNQCRZBFQ-CQSZACIVSA-N 1 1 284.407 2.715 20 30 CFEDMO C[N@@H+](CCC1CC1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000135253705 394215335 /nfs/dbraw/zinc/21/53/35/394215335.db2.gz LCNZADGZIGVLFN-UHFFFAOYSA-N 1 1 291.782 2.882 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000289695406 394221087 /nfs/dbraw/zinc/22/10/87/394221087.db2.gz OLHWHLKJCNLEOX-OAHLLOKOSA-N 1 1 297.320 2.947 20 30 CFEDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](CC#Cc1ccccc1)C[C@H](C)O2 ZINC000366795387 394248133 /nfs/dbraw/zinc/24/81/33/394248133.db2.gz WJOSDCGWMDGXTH-AOIWGVFYSA-N 1 1 299.414 2.697 20 30 CFEDMO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](CC#Cc1ccccc1)C[C@H](C)O2 ZINC000366795387 394248136 /nfs/dbraw/zinc/24/81/36/394248136.db2.gz WJOSDCGWMDGXTH-AOIWGVFYSA-N 1 1 299.414 2.697 20 30 CFEDMO N#CCCC[N@H+]1CC[C@@](F)(c2ccc(F)cc2)C1 ZINC000367068258 394250374 /nfs/dbraw/zinc/25/03/74/394250374.db2.gz WLNWOMVTVCAQIL-AWEZNQCLSA-N 1 1 250.292 3.000 20 30 CFEDMO N#CCCC[N@@H+]1CC[C@@](F)(c2ccc(F)cc2)C1 ZINC000367068258 394250376 /nfs/dbraw/zinc/25/03/76/394250376.db2.gz WLNWOMVTVCAQIL-AWEZNQCLSA-N 1 1 250.292 3.000 20 30 CFEDMO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2CCC(C)(C)C#N)n1 ZINC000363477843 394196197 /nfs/dbraw/zinc/19/61/97/394196197.db2.gz BOEPBXKUKPFVPX-OAHLLOKOSA-N 1 1 289.427 2.689 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2CC)cc1 ZINC000449420161 394276546 /nfs/dbraw/zinc/27/65/46/394276546.db2.gz IUMSVKCVLICAKP-DOTOQJQBSA-N 1 1 275.392 2.844 20 30 CFEDMO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)/C=C/c2ccc(C#N)cc2)C1 ZINC000493567012 394280026 /nfs/dbraw/zinc/28/00/26/394280026.db2.gz ZGDAYAVZBJYFAW-KBOKABMXSA-N 1 1 297.402 2.513 20 30 CFEDMO CC(C)C[N@H+]1CCCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000369695708 394281978 /nfs/dbraw/zinc/28/19/78/394281978.db2.gz ODJFAQKGFXUGAD-UHFFFAOYSA-N 1 1 292.814 2.775 20 30 CFEDMO Clc1ccc(C#CC[N@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000153730288 394290371 /nfs/dbraw/zinc/29/03/71/394290371.db2.gz IWOQNZDLNJIISZ-INIZCTEOSA-N 1 1 275.779 2.804 20 30 CFEDMO CC#CCC[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000155091375 394309770 /nfs/dbraw/zinc/30/97/70/394309770.db2.gz IOHUOEZWSVERIS-UHFFFAOYSA-N 1 1 284.403 2.556 20 30 CFEDMO C[C@H](NCC1(C#N)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450731432 394328986 /nfs/dbraw/zinc/32/89/86/394328986.db2.gz ZYJKKMZJWYCPIK-GJZGRUSLSA-N 1 1 275.440 2.923 20 30 CFEDMO COc1cccnc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000453365389 394391266 /nfs/dbraw/zinc/39/12/66/394391266.db2.gz NDDCOICZWXKOIJ-LBPRGKRZSA-N 1 1 267.332 2.813 20 30 CFEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CCCCC1 ZINC000157499081 394346615 /nfs/dbraw/zinc/34/66/15/394346615.db2.gz XDKAKLNZWDGABU-UHFFFAOYSA-N 1 1 268.364 2.970 20 30 CFEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](CC3=CCCCC3)C2)nc1 ZINC000451055966 394351982 /nfs/dbraw/zinc/35/19/82/394351982.db2.gz NBWKWVWNWTYMQD-INIZCTEOSA-N 1 1 283.375 2.907 20 30 CFEDMO C=C(C)C[N@H+](CC)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000170695258 394371467 /nfs/dbraw/zinc/37/14/67/394371467.db2.gz WNMHRRBBFRBQCB-OAHLLOKOSA-N 1 1 260.381 2.714 20 30 CFEDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000451263431 394371488 /nfs/dbraw/zinc/37/14/88/394371488.db2.gz ZCBHASRNXYZSAG-WBMJQRKESA-N 1 1 275.371 2.516 20 30 CFEDMO CC(C)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000451263431 394371489 /nfs/dbraw/zinc/37/14/89/394371489.db2.gz ZCBHASRNXYZSAG-WBMJQRKESA-N 1 1 275.371 2.516 20 30 CFEDMO CC(C)c1noc(CO[NH+]=C(N)CCc2ccccc2)n1 ZINC000172412624 394373104 /nfs/dbraw/zinc/37/31/04/394373104.db2.gz DVWHFDOKOFOVRX-UHFFFAOYSA-N 1 1 288.351 2.615 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@]2(C)CC(C)C)C1=O ZINC000451291637 394374017 /nfs/dbraw/zinc/37/40/17/394374017.db2.gz QDSWUVPSNKUHKL-GOEBONIOSA-N 1 1 264.413 2.674 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451425983 394376107 /nfs/dbraw/zinc/37/61/07/394376107.db2.gz UTCUREIYXHZRQO-BBWFWOEESA-N 1 1 288.366 2.823 20 30 CFEDMO C[C@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000174405731 394378441 /nfs/dbraw/zinc/37/84/41/394378441.db2.gz DVRLIQXJONCBPT-NSHDSACASA-N 1 1 268.320 2.593 20 30 CFEDMO C[N@@H+](CCCCC#N)Cc1ccc([S@](C)=O)cc1 ZINC000178424902 394388145 /nfs/dbraw/zinc/38/81/45/394388145.db2.gz DQEYTKBNHNKNDH-SFHVURJKSA-N 1 1 264.394 2.550 20 30 CFEDMO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000178513944 394389115 /nfs/dbraw/zinc/38/91/15/394389115.db2.gz CHDUWSDAVGGXFT-OAHLLOKOSA-N 1 1 286.375 2.625 20 30 CFEDMO COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000178513944 394389119 /nfs/dbraw/zinc/38/91/19/394389119.db2.gz CHDUWSDAVGGXFT-OAHLLOKOSA-N 1 1 286.375 2.625 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000685592649 542932460 /nfs/dbraw/zinc/93/24/60/542932460.db2.gz ZPHZUXKCAWPTBP-DOTOQJQBSA-N 1 1 268.404 2.925 20 30 CFEDMO N#CCC[N@@H+](Cc1ccc(-n2cncn2)c(F)c1)CC1CC1 ZINC000537636450 394587500 /nfs/dbraw/zinc/58/75/00/394587500.db2.gz LYQDOSQXGSKYBW-UHFFFAOYSA-N 1 1 299.353 2.532 20 30 CFEDMO N#CCC[N@H+](Cc1ccc(-n2cncn2)c(F)c1)CC1CC1 ZINC000537636450 394587504 /nfs/dbraw/zinc/58/75/04/394587504.db2.gz LYQDOSQXGSKYBW-UHFFFAOYSA-N 1 1 299.353 2.532 20 30 CFEDMO C[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000538395610 394603164 /nfs/dbraw/zinc/60/31/64/394603164.db2.gz QMRCCTLLKJKIHF-KGLIPLIRSA-N 1 1 257.381 2.551 20 30 CFEDMO C[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000538395610 394603167 /nfs/dbraw/zinc/60/31/67/394603167.db2.gz QMRCCTLLKJKIHF-KGLIPLIRSA-N 1 1 257.381 2.551 20 30 CFEDMO Cc1ccccc1[C@H](CO)[NH2+]Cc1cccc(C#N)c1F ZINC000543840245 394744919 /nfs/dbraw/zinc/74/49/19/394744919.db2.gz RDCOPBPIVKNQTN-INIZCTEOSA-N 1 1 284.334 2.829 20 30 CFEDMO Cc1ccccc1[C@@H](CO)[NH2+]Cc1ccccc1C#N ZINC000542910621 394716905 /nfs/dbraw/zinc/71/69/05/394716905.db2.gz XGBQQMLMQCHWKV-QGZVFWFLSA-N 1 1 266.344 2.690 20 30 CFEDMO CC(C)[N@@H+](C)CC1CCN(c2ccncc2C#N)CC1 ZINC000548153943 394915161 /nfs/dbraw/zinc/91/51/61/394915161.db2.gz NWWZCMOZJGYVDY-UHFFFAOYSA-N 1 1 272.396 2.510 20 30 CFEDMO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cn2)cc1 ZINC000555674282 394980835 /nfs/dbraw/zinc/98/08/35/394980835.db2.gz VNOIWLLWGGSSRT-UHFFFAOYSA-N 1 1 267.332 2.594 20 30 CFEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cn2)cc1 ZINC000555674282 394980838 /nfs/dbraw/zinc/98/08/38/394980838.db2.gz VNOIWLLWGGSSRT-UHFFFAOYSA-N 1 1 267.332 2.594 20 30 CFEDMO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000555398595 394972684 /nfs/dbraw/zinc/97/26/84/394972684.db2.gz PHGJZKDYSNAZLS-VXGBXAGGSA-N 1 1 278.783 2.804 20 30 CFEDMO C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2C#N)C1 ZINC000555398595 394972687 /nfs/dbraw/zinc/97/26/87/394972687.db2.gz PHGJZKDYSNAZLS-VXGBXAGGSA-N 1 1 278.783 2.804 20 30 CFEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@@H](C)c1ncc[nH]1)C(C)C ZINC000285524265 542970686 /nfs/dbraw/zinc/97/06/86/542970686.db2.gz FBYIIROQLGXAIL-GJZGRUSLSA-N 1 1 276.428 2.759 20 30 CFEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@H](C)c1ncc[nH]1)C(C)C ZINC000285524263 542970364 /nfs/dbraw/zinc/97/03/64/542970364.db2.gz FBYIIROQLGXAIL-CABCVRRESA-N 1 1 276.428 2.759 20 30 CFEDMO C=CCCCN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648790460 395312767 /nfs/dbraw/zinc/31/27/67/395312767.db2.gz NHLSZGAGDWVJGM-ZDUSSCGKSA-N 1 1 263.385 2.821 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)N(CCC)[C@@H]1CC[N@@H+](C)C1 ZINC000648997503 395391254 /nfs/dbraw/zinc/39/12/54/395391254.db2.gz QYNIXPMNMHFLKU-ZIAGYGMSSA-N 1 1 252.402 2.531 20 30 CFEDMO C=C(C)[C@@H](CO)[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000649332981 395473887 /nfs/dbraw/zinc/47/38/87/395473887.db2.gz DAMFIBXMFJWPOP-HRDYMLBCSA-N 1 1 291.235 2.596 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000649332981 395473888 /nfs/dbraw/zinc/47/38/88/395473888.db2.gz DAMFIBXMFJWPOP-HRDYMLBCSA-N 1 1 291.235 2.596 20 30 CFEDMO C=CCCCC[N@@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000649333852 395474208 /nfs/dbraw/zinc/47/42/08/395474208.db2.gz HICLVZCSLMUMFO-WDEREUQCSA-N 1 1 251.292 2.994 20 30 CFEDMO C=CCCCC[N@H+]1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000649333852 395474212 /nfs/dbraw/zinc/47/42/12/395474212.db2.gz HICLVZCSLMUMFO-WDEREUQCSA-N 1 1 251.292 2.994 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000649336472 395474605 /nfs/dbraw/zinc/47/46/05/395474605.db2.gz ZDGGSZZPGVOKHA-AEFFLSMTSA-N 1 1 288.435 2.520 20 30 CFEDMO C=C(C)[C@H](CO)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000649336472 395474606 /nfs/dbraw/zinc/47/46/06/395474606.db2.gz ZDGGSZZPGVOKHA-AEFFLSMTSA-N 1 1 288.435 2.520 20 30 CFEDMO C=C(C)[C@H](CO)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000649336472 395474608 /nfs/dbraw/zinc/47/46/08/395474608.db2.gz ZDGGSZZPGVOKHA-AEFFLSMTSA-N 1 1 288.435 2.520 20 30 CFEDMO C=CCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000649589687 395533194 /nfs/dbraw/zinc/53/31/94/395533194.db2.gz QSJKTAJWESADKA-NEPJUHHUSA-N 1 1 265.319 2.835 20 30 CFEDMO C=CCC1(C(=O)N[C@@H]2CCC[N@H+](C)C2)CCCCC1 ZINC000648274340 395533755 /nfs/dbraw/zinc/53/37/55/395533755.db2.gz ZABNTEYULDBSPI-CQSZACIVSA-N 1 1 264.413 2.723 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cncnc1OC ZINC000648003808 395477014 /nfs/dbraw/zinc/47/70/14/395477014.db2.gz AFLHPQZDGDNIPA-UHFFFAOYSA-N 1 1 283.375 2.716 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)Cc1cncnc1OC ZINC000648003808 395477017 /nfs/dbraw/zinc/47/70/17/395477017.db2.gz AFLHPQZDGDNIPA-UHFFFAOYSA-N 1 1 283.375 2.716 20 30 CFEDMO C=CCCCC[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000649456351 395501529 /nfs/dbraw/zinc/50/15/29/395501529.db2.gz LQUCCMAPDOSDQI-QGZVFWFLSA-N 1 1 270.376 2.939 20 30 CFEDMO C=CCC[C@H](O)C[N@H+](CC)C1CCC(C(=O)OCC)CC1 ZINC000338377012 397650702 /nfs/dbraw/zinc/65/07/02/397650702.db2.gz NFEMLJKPTTWGEU-GPANFISMSA-N 1 1 297.439 2.757 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1 ZINC000181287764 397609436 /nfs/dbraw/zinc/60/94/36/397609436.db2.gz KJGLLPNISYVJIT-HNNXBMFYSA-N 1 1 274.408 2.989 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1csc(Br)c1 ZINC000307463949 397644708 /nfs/dbraw/zinc/64/47/08/397644708.db2.gz GWLBARMNPGETJF-MRVPVSSYSA-N 1 1 258.184 2.964 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1csc(Br)c1 ZINC000307463949 397644710 /nfs/dbraw/zinc/64/47/10/397644710.db2.gz GWLBARMNPGETJF-MRVPVSSYSA-N 1 1 258.184 2.964 20 30 CFEDMO CCC[N@@H+](CCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356056334 155151151 /nfs/dbraw/zinc/15/11/51/155151151.db2.gz MJYGUTUKINZRMB-UHFFFAOYSA-N 1 1 286.297 2.781 20 30 CFEDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc(C#N)s2)C1 ZINC000356369842 155241514 /nfs/dbraw/zinc/24/15/14/155241514.db2.gz QEEHVVCSAFSNDA-NWDGAFQWSA-N 1 1 264.394 2.603 20 30 CFEDMO C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000356385541 155248698 /nfs/dbraw/zinc/24/86/98/155248698.db2.gz FGXDSCGKLFNAGF-MFKMUULPSA-N 1 1 298.308 2.780 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC1CC(O)C1 ZINC000356425849 155262813 /nfs/dbraw/zinc/26/28/13/155262813.db2.gz NPZZWWSNFRZVMP-UHFFFAOYSA-N 1 1 298.308 2.780 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCO[C@H](C)C1 ZINC000420968300 413247608 /nfs/dbraw/zinc/24/76/08/413247608.db2.gz VXJMHZZOAFPOAP-ZIAGYGMSSA-N 1 1 279.380 2.718 20 30 CFEDMO CC1(C)CCC[N@@H+](CCNc2nccc(C#N)c2Cl)C1 ZINC000343101068 154113492 /nfs/dbraw/zinc/11/34/92/154113492.db2.gz MQSBWACUCAGYFH-UHFFFAOYSA-N 1 1 292.814 2.562 20 30 CFEDMO C[N@H+](Cc1ccccc1C#N)[C@H](CO)c1ccccc1 ZINC000343114238 154117635 /nfs/dbraw/zinc/11/76/35/154117635.db2.gz YOBXRSPLYRZOSU-QGZVFWFLSA-N 1 1 266.344 2.724 20 30 CFEDMO C[N@@H+](Cc1ccccc1C#N)[C@H](CO)c1ccccc1 ZINC000343114238 154117637 /nfs/dbraw/zinc/11/76/37/154117637.db2.gz YOBXRSPLYRZOSU-QGZVFWFLSA-N 1 1 266.344 2.724 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](CO)c1ccccc1 ZINC000343115761 154118881 /nfs/dbraw/zinc/11/88/81/154118881.db2.gz APGMVEBOBGNCGT-KRWDZBQOSA-N 1 1 266.344 2.724 20 30 CFEDMO CCCn1cc[nH+]c1CCCN(C)c1cc(C#N)cc(C)n1 ZINC000343220311 154145403 /nfs/dbraw/zinc/14/54/03/154145403.db2.gz YCHGUDMYZGRAQP-UHFFFAOYSA-N 1 1 297.406 2.937 20 30 CFEDMO C[C@@H](CNCc1ccc(C#N)s1)[N@@H+]1CCCC[C@H]1C ZINC000343281403 154165992 /nfs/dbraw/zinc/16/59/92/154165992.db2.gz CKEONMVQCCWZNJ-OLZOCXBDSA-N 1 1 277.437 2.972 20 30 CFEDMO C[C@@H](CNCc1ccc(C#N)s1)[N@H+]1CCCC[C@H]1C ZINC000343281403 154165993 /nfs/dbraw/zinc/16/59/93/154165993.db2.gz CKEONMVQCCWZNJ-OLZOCXBDSA-N 1 1 277.437 2.972 20 30 CFEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000355782808 155085223 /nfs/dbraw/zinc/08/52/23/155085223.db2.gz FWEYBXJZHCIPHR-RBSFLKMASA-N 1 1 299.418 2.541 20 30 CFEDMO COCC#CC[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000657110774 413311102 /nfs/dbraw/zinc/31/11/02/413311102.db2.gz PKJGISVRPKPPIY-IAGOWNOFSA-N 1 1 257.377 2.904 20 30 CFEDMO C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)[C@@H](C)C[N@H+]1C ZINC000360141426 156032181 /nfs/dbraw/zinc/03/21/81/156032181.db2.gz SGWGIXOMXSOPMK-NEPJUHHUSA-N 1 1 277.799 2.736 20 30 CFEDMO N#Cc1ccc(F)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362822626 156094118 /nfs/dbraw/zinc/09/41/18/156094118.db2.gz JHMBLSNGRFPBOW-KBAYOESNSA-N 1 1 299.393 2.613 20 30 CFEDMO Cc1cc(C[N@H+](C)CC(=O)Nc2ccccc2)ccc1C#N ZINC000362921756 156115334 /nfs/dbraw/zinc/11/53/34/156115334.db2.gz IUKYBJPUXIEDQJ-UHFFFAOYSA-N 1 1 293.370 2.937 20 30 CFEDMO Cc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2)ccc1C#N ZINC000362921756 156115336 /nfs/dbraw/zinc/11/53/36/156115336.db2.gz IUKYBJPUXIEDQJ-UHFFFAOYSA-N 1 1 293.370 2.937 20 30 CFEDMO C[N@@H+](C[C@H]1CC12CCN(c1cc(C#N)ccn1)CC2)C1CC1 ZINC000367349730 156319148 /nfs/dbraw/zinc/31/91/48/156319148.db2.gz UUBABVHLUKEXEL-OAHLLOKOSA-N 1 1 296.418 2.654 20 30 CFEDMO C=CCCn1cc(C[N@@H+](C)[C@H]2CCc3ccccc32)nn1 ZINC000653490995 413329822 /nfs/dbraw/zinc/32/98/22/413329822.db2.gz GKIGFMFGVUMPPN-KRWDZBQOSA-N 1 1 282.391 2.974 20 30 CFEDMO C=CCCn1cc(C[N@H+](C)[C@H]2CCc3ccccc32)nn1 ZINC000653490995 413329829 /nfs/dbraw/zinc/32/98/29/413329829.db2.gz GKIGFMFGVUMPPN-KRWDZBQOSA-N 1 1 282.391 2.974 20 30 CFEDMO C=CCCn1cc(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)nn1 ZINC000653496411 413333059 /nfs/dbraw/zinc/33/30/59/413333059.db2.gz PVSKLIKFDSNINY-DZGCQCFKSA-N 1 1 262.401 2.865 20 30 CFEDMO N#Cc1ccc(C2=CC[N@@H+](CC[C@@H]3CCOC3=O)CC2)cc1 ZINC000374307845 157098017 /nfs/dbraw/zinc/09/80/17/157098017.db2.gz IORLKJKQZXYKND-QGZVFWFLSA-N 1 1 296.370 2.601 20 30 CFEDMO CCCc1[nH+]ccn1CC(=O)Cc1ccc(C#N)cc1 ZINC000651191896 413344364 /nfs/dbraw/zinc/34/43/64/413344364.db2.gz TUEBWEMCBXHSAF-UHFFFAOYSA-N 1 1 267.332 2.519 20 30 CFEDMO N#Cc1ccnc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000376480686 157361244 /nfs/dbraw/zinc/36/12/44/157361244.db2.gz QQCUEXKHIBEOJR-QGZVFWFLSA-N 1 1 292.386 2.887 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2C(C)(C)C)nn1 ZINC000653545892 413360765 /nfs/dbraw/zinc/36/07/65/413360765.db2.gz QJRPOMHXCVTKOH-CQSZACIVSA-N 1 1 262.401 2.865 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H](CC)CC2)nn1 ZINC000653557152 413366210 /nfs/dbraw/zinc/36/62/10/413366210.db2.gz FCYANAUZQHYIRR-AWEZNQCLSA-N 1 1 262.401 2.866 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](CC(C)C)C2)nn1 ZINC000653562088 413369044 /nfs/dbraw/zinc/36/90/44/413369044.db2.gz CNYGQUYLWOHMRO-CQSZACIVSA-N 1 1 262.401 2.722 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H](CCC)C2)nn1 ZINC000653568573 413374437 /nfs/dbraw/zinc/37/44/37/413374437.db2.gz CCXDQKUDOLDGPH-CQSZACIVSA-N 1 1 262.401 2.866 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)Cc1csc(C)c1 ZINC000653647305 413425801 /nfs/dbraw/zinc/42/58/01/413425801.db2.gz FDQMRDWFQCCVDO-UHFFFAOYSA-N 1 1 252.427 2.996 20 30 CFEDMO C=CCN(C)CC[N@@H+](CC)Cc1csc(C)c1 ZINC000653647305 413425809 /nfs/dbraw/zinc/42/58/09/413425809.db2.gz FDQMRDWFQCCVDO-UHFFFAOYSA-N 1 1 252.427 2.996 20 30 CFEDMO C=CCN(C)CC[N@H+](CC)Cc1csc(C)c1 ZINC000653647305 413425814 /nfs/dbraw/zinc/42/58/14/413425814.db2.gz FDQMRDWFQCCVDO-UHFFFAOYSA-N 1 1 252.427 2.996 20 30 CFEDMO C=CCCn1cc(C[NH2+]Cc2ccc(CC)s2)nn1 ZINC000657309762 413428451 /nfs/dbraw/zinc/42/84/51/413428451.db2.gz GQIYOPFLYIGPHK-UHFFFAOYSA-N 1 1 276.409 2.768 20 30 CFEDMO C=CCCC(C)(C)NC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000663887450 413426952 /nfs/dbraw/zinc/42/69/52/413426952.db2.gz KZOCDMPSHBQIHY-CYBMUJFWSA-N 1 1 292.427 2.872 20 30 CFEDMO CO[C@H](C)C[N@@H+](Cc1ccc(F)c(C#N)c1)C(C)C ZINC000344369401 162027898 /nfs/dbraw/zinc/02/78/98/162027898.db2.gz QEUHLTJUCSMJTM-GFCCVEGCSA-N 1 1 264.344 2.943 20 30 CFEDMO 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C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000348208769 288101336 /nfs/dbraw/zinc/10/13/36/288101336.db2.gz ADLDZFDOAPKVHV-RDBSUJKOSA-N 1 1 251.418 2.635 20 30 CFEDMO C[C@H](CO)[N@@H+](CC#Cc1ccccc1)C1CCCC1 ZINC000287786611 279356983 /nfs/dbraw/zinc/35/69/83/279356983.db2.gz NSRGSKKONIRJBF-OAHLLOKOSA-N 1 1 257.377 2.664 20 30 CFEDMO Cc1c(Cl)cnc(N2CC[N@H+](C)C[C@@H]2C(C)C)c1C#N ZINC000343431757 280234347 /nfs/dbraw/zinc/23/43/47/280234347.db2.gz GYZJWMYJRMHUPB-CQSZACIVSA-N 1 1 292.814 2.692 20 30 CFEDMO CC(C)c1[nH+]ccn1CCC(=O)NCc1cccc(C#N)c1 ZINC000081044093 280542116 /nfs/dbraw/zinc/54/21/16/280542116.db2.gz MLKAWWGVGMCJRL-UHFFFAOYSA-N 1 1 296.374 2.585 20 30 CFEDMO CN(c1nccc(C#N)c1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000343352366 281169444 /nfs/dbraw/zinc/16/94/44/281169444.db2.gz QXWCZLWOFOSQKQ-FUNVUKJBSA-N 1 1 290.798 2.668 20 30 CFEDMO Cc1cnc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1C ZINC000418144784 281596403 /nfs/dbraw/zinc/59/64/03/281596403.db2.gz 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N#CC1(CC[N@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)CCCCC1 ZINC000582891323 329281792 /nfs/dbraw/zinc/28/17/92/329281792.db2.gz UEQMAQHVDGRSDE-GJZGRUSLSA-N 1 1 289.423 2.594 20 30 CFEDMO N#CC1(CC[N@@H+]2CC(=O)N[C@H]3CCCC[C@@H]32)CCCCC1 ZINC000582891323 329281794 /nfs/dbraw/zinc/28/17/94/329281794.db2.gz UEQMAQHVDGRSDE-GJZGRUSLSA-N 1 1 289.423 2.594 20 30 CFEDMO CC#CCCCC(=O)Nc1c[nH+]ccc1-n1cc(C)cn1 ZINC000185931692 329332801 /nfs/dbraw/zinc/33/28/01/329332801.db2.gz QFHFZSBMQHCOLF-UHFFFAOYSA-N 1 1 282.347 2.708 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000185896652 329334622 /nfs/dbraw/zinc/33/46/22/329334622.db2.gz JPRLGLQRYRMQMM-ZNMIVQPWSA-N 1 1 264.413 2.531 20 30 CFEDMO CCOc1cc(C[N@H+](C)CC(C)(C)C#N)ccc1O ZINC000459589697 329340323 /nfs/dbraw/zinc/34/03/23/329340323.db2.gz MJEALFNTIGRDKE-UHFFFAOYSA-N 1 1 262.353 2.772 20 30 CFEDMO CCOc1cc(C[N@@H+](C)CC(C)(C)C#N)ccc1O ZINC000459589697 329340324 /nfs/dbraw/zinc/34/03/24/329340324.db2.gz MJEALFNTIGRDKE-UHFFFAOYSA-N 1 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ZINC000424299115 330336809 /nfs/dbraw/zinc/33/68/09/330336809.db2.gz UWKQEZGZIOGAKM-NSHDSACASA-N 1 1 288.420 2.865 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H](CC)c2ccsc2)nn1 ZINC000424299932 330336873 /nfs/dbraw/zinc/33/68/73/330336873.db2.gz WHTORUOYGZKAKY-CYBMUJFWSA-N 1 1 262.382 2.767 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H]2c3cc(F)ccc3C[C@@H]2C)nn1 ZINC000424299543 330336883 /nfs/dbraw/zinc/33/68/83/330336883.db2.gz VNORHFQVLSZBIJ-MEDUHNTESA-N 1 1 286.354 2.626 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H](C)c2cc(C)cc(C)c2)nn1 ZINC000424299733 330336910 /nfs/dbraw/zinc/33/69/10/330336910.db2.gz WFFBMCWKMCZBBE-AWEZNQCLSA-N 1 1 270.380 2.932 20 30 CFEDMO CCOC(=O)[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000087607093 330373707 /nfs/dbraw/zinc/37/37/07/330373707.db2.gz AKDPNGAEPQZKFP-ZDUSSCGKSA-N 1 1 266.385 2.591 20 30 CFEDMO CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)N(CC)CCC#N ZINC000120678831 330390303 /nfs/dbraw/zinc/39/03/03/330390303.db2.gz ZWBOYNAKIWFVJR-GJZGRUSLSA-N 1 1 279.428 2.649 20 30 CFEDMO C=CC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000121201843 330397471 /nfs/dbraw/zinc/39/74/71/330397471.db2.gz HYUDULSZOQSZLJ-SECBINFHSA-N 1 1 270.735 2.924 20 30 CFEDMO C=CC[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000121201843 330397472 /nfs/dbraw/zinc/39/74/72/330397472.db2.gz HYUDULSZOQSZLJ-SECBINFHSA-N 1 1 270.735 2.924 20 30 CFEDMO C=CC[N@@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000121229015 330398099 /nfs/dbraw/zinc/39/80/99/330398099.db2.gz HLPVKRNEWUAYQP-CQSZACIVSA-N 1 1 278.783 2.953 20 30 CFEDMO C=CC[N@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000121229015 330398100 /nfs/dbraw/zinc/39/81/00/330398100.db2.gz HLPVKRNEWUAYQP-CQSZACIVSA-N 1 1 278.783 2.953 20 30 CFEDMO COC(=O)C1([NH2+]CCCCC(C)(C)C#N)CCCC1 ZINC000444663593 330817672 /nfs/dbraw/zinc/81/76/72/330817672.db2.gz YZWLFOIADVKNPY-UHFFFAOYSA-N 1 1 266.385 2.782 20 30 CFEDMO CC(C)c1nnc(C[NH2+][C@H]2CCC[C@H](C#N)C2)s1 ZINC000447576706 330870797 /nfs/dbraw/zinc/87/07/97/330870797.db2.gz ZOJJATOYRGBQPG-QWRGUYRKSA-N 1 1 264.398 2.833 20 30 CFEDMO C=CCCCC[C@H](C)[NH2+]C[C@@H](O)CN1CCC(C)CC1 ZINC000449125139 330900384 /nfs/dbraw/zinc/90/03/84/330900384.db2.gz RWMAYBQWRITVRQ-DLBZAZTESA-N 1 1 282.472 2.804 20 30 CFEDMO C=CCCCC[C@H](C)[NH2+][C@H](C)CCN1CCN(C)CC1 ZINC000449250727 330909876 /nfs/dbraw/zinc/90/98/76/330909876.db2.gz PIOQQHORWZBCDB-DLBZAZTESA-N 1 1 281.488 2.737 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1Cc1nc(-c2cc(C)ccn2)no1 ZINC000450874559 331004123 /nfs/dbraw/zinc/00/41/23/331004123.db2.gz DVXPFMXJUSXVBW-CYBMUJFWSA-N 1 1 284.363 2.981 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1nc(-c2cc(C)ccn2)no1 ZINC000450874559 331004124 /nfs/dbraw/zinc/00/41/24/331004124.db2.gz DVXPFMXJUSXVBW-CYBMUJFWSA-N 1 1 284.363 2.981 20 30 CFEDMO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2CC2(C#N)CCC2)C1 ZINC000450897557 331005644 /nfs/dbraw/zinc/00/56/44/331005644.db2.gz AMSKPIAKQAJULE-FPCVCCKLSA-N 1 1 276.424 2.942 20 30 CFEDMO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2CC2(C#N)CCC2)C1 ZINC000450897558 331005670 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C=C(C)CC[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000452033280 331051263 /nfs/dbraw/zinc/05/12/63/331051263.db2.gz PRGBWASOBVWBIM-UHFFFAOYSA-N 1 1 264.335 2.911 20 30 CFEDMO COC[C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000452103776 331054223 /nfs/dbraw/zinc/05/42/23/331054223.db2.gz MQKKVYYJOUJXCZ-MRXNPFEDSA-N 1 1 294.439 2.835 20 30 CFEDMO COC[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000452110163 331054706 /nfs/dbraw/zinc/05/47/06/331054706.db2.gz YFOICNSRDMFYRJ-INIZCTEOSA-N 1 1 275.367 2.926 20 30 CFEDMO C=CC(C)(C)C[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000453306937 331114087 /nfs/dbraw/zinc/11/40/87/331114087.db2.gz KOTYFLYKLPSTQJ-CYBMUJFWSA-N 1 1 256.353 2.696 20 30 CFEDMO C=CCc1cc(CNC(C)(C)C[NH+](C)C)cc(OC)c1O ZINC000453628482 331137352 /nfs/dbraw/zinc/13/73/52/331137352.db2.gz WWGXLFWLEHFGRV-UHFFFAOYSA-N 1 1 292.423 2.559 20 30 CFEDMO C=C(C)CCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000454330992 331144312 /nfs/dbraw/zinc/14/43/12/331144312.db2.gz QCCHGANOAPBZRO-OAHLLOKOSA-N 1 1 281.444 2.906 20 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CJSJYICJPFQPJV-CYBMUJFWSA-N 1 1 252.402 2.530 20 30 CFEDMO C=CCC1(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CCC1 ZINC000457090885 331212049 /nfs/dbraw/zinc/21/20/49/331212049.db2.gz MGVNVDGQTUQCKC-AWEZNQCLSA-N 1 1 264.413 2.674 20 30 CFEDMO C=CC(C)(C)CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000457510089 331225306 /nfs/dbraw/zinc/22/53/06/331225306.db2.gz RNRHQIIZWSBBAU-AWEZNQCLSA-N 1 1 281.444 2.762 20 30 CFEDMO C=CCC(CC=C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000458210870 331245199 /nfs/dbraw/zinc/24/51/99/331245199.db2.gz LFERYDZLQADSRS-AWEZNQCLSA-N 1 1 264.413 2.603 20 30 CFEDMO C=CCCC[C@@H](C)NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458629146 331254710 /nfs/dbraw/zinc/25/47/10/331254710.db2.gz YJBYXBBSKJGPRM-HUUCEWRRSA-N 1 1 281.444 2.762 20 30 CFEDMO C=CCCC[C@@H](C)NC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000458630350 331254795 /nfs/dbraw/zinc/25/47/95/331254795.db2.gz ZRBVPKWHSJVPRG-HUUCEWRRSA-N 1 1 293.455 2.857 20 30 CFEDMO C=CC(C)(C)CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000458982214 331263620 /nfs/dbraw/zinc/26/36/20/331263620.db2.gz AEKIDFGJFMVVAQ-UHFFFAOYSA-N 1 1 293.455 2.859 20 30 CFEDMO C=CC(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000458994771 331265240 /nfs/dbraw/zinc/26/52/40/331265240.db2.gz ZQGCEXQXXLYQDJ-KBPBESRZSA-N 1 1 281.444 2.570 20 30 CFEDMO CC(C)CCC[C@H](C)NC(=O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000459450452 331281870 /nfs/dbraw/zinc/28/18/70/331281870.db2.gz ANSTZBGHWUYDKR-KKUMJFAQSA-N 1 1 279.428 2.599 20 30 CFEDMO CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](CCCSCC#N)C1 ZINC000459586785 331289582 /nfs/dbraw/zinc/28/95/82/331289582.db2.gz PNQXYADUSOSZOM-HNNXBMFYSA-N 1 1 298.452 2.687 20 30 CFEDMO N#CCCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000459646812 331291970 /nfs/dbraw/zinc/29/19/70/331291970.db2.gz SRZVURPDDVDMMX-GFCCVEGCSA-N 1 1 290.329 2.971 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459666898 331293055 /nfs/dbraw/zinc/29/30/55/331293055.db2.gz HRJHEINVQJRIBR-KBPBESRZSA-N 1 1 262.397 2.817 20 30 CFEDMO Fc1ccc(C#CC[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)cc1 ZINC000459682332 331294123 /nfs/dbraw/zinc/29/41/23/331294123.db2.gz SNBJBBBHHZXGMR-IAGOWNOFSA-N 1 1 285.362 2.678 20 30 CFEDMO CC[N@@H+](CC(=O)NC1(C#N)CCCCC1)CC(C)(C)C ZINC000463358258 331346548 /nfs/dbraw/zinc/34/65/48/331346548.db2.gz LTEPGHDHXZHBSP-UHFFFAOYSA-N 1 1 279.428 2.697 20 30 CFEDMO C=CC[C@H](CC)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000466376420 331393848 /nfs/dbraw/zinc/39/38/48/331393848.db2.gz HYSVLYMIXCSCJQ-CVEARBPZSA-N 1 1 293.455 2.714 20 30 CFEDMO C=CCN(c1cc(C(C)C)[nH+]c(N(C)C)n1)C1CC1 ZINC000485964667 331928025 /nfs/dbraw/zinc/92/80/25/331928025.db2.gz KRWIPFAUWIRXGL-UHFFFAOYSA-N 1 1 260.385 2.821 20 30 CFEDMO C=CCC1(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CCC1 ZINC000489342317 332048006 /nfs/dbraw/zinc/04/80/06/332048006.db2.gz WUQLPGFUOFJGNT-CQSZACIVSA-N 1 1 264.413 2.531 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)NCCc1ccccc1C ZINC000489395290 332049850 /nfs/dbraw/zinc/04/98/50/332049850.db2.gz CJNXBROQHZUQDM-KRWDZBQOSA-N 1 1 286.419 2.694 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)N[C@H](C)c1cccs1 ZINC000489431004 332051880 /nfs/dbraw/zinc/05/18/80/332051880.db2.gz HRTGGGHVAOVEQX-CHWSQXEVSA-N 1 1 278.421 2.966 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@H](C)c1cccs1 ZINC000489431004 332051881 /nfs/dbraw/zinc/05/18/81/332051881.db2.gz HRTGGGHVAOVEQX-CHWSQXEVSA-N 1 1 278.421 2.966 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(F)c1 ZINC000489438229 332052455 /nfs/dbraw/zinc/05/24/55/332052455.db2.gz ZNKJFXFLCKKZEO-CQSZACIVSA-N 1 1 262.328 2.805 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(F)c1 ZINC000489438229 332052456 /nfs/dbraw/zinc/05/24/56/332052456.db2.gz ZNKJFXFLCKKZEO-CQSZACIVSA-N 1 1 262.328 2.805 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(OC)cc1 ZINC000489445473 332053299 /nfs/dbraw/zinc/05/32/99/332053299.db2.gz YBOSGJPLGFKKCD-CQSZACIVSA-N 1 1 274.364 2.674 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(OC)cc1 ZINC000489445473 332053300 /nfs/dbraw/zinc/05/33/00/332053300.db2.gz YBOSGJPLGFKKCD-CQSZACIVSA-N 1 1 274.364 2.674 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(C(C)C)C(C)C ZINC000489485717 332055535 /nfs/dbraw/zinc/05/55/35/332055535.db2.gz YAQMOWMFVPCBCR-CQSZACIVSA-N 1 1 252.402 2.672 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCC(=O)NCC(C)(C)CCC#N ZINC000489838727 332069968 /nfs/dbraw/zinc/06/99/68/332069968.db2.gz HPDRVCDRGRGTAW-AWEZNQCLSA-N 1 1 279.428 2.697 20 30 CFEDMO C#CC[N@@H+](C[C@@H]1CCOC1)[C@H]1CCc2ccccc21 ZINC000490761795 332113714 /nfs/dbraw/zinc/11/37/14/332113714.db2.gz BPBSHBYNBYOMTL-YOEHRIQHSA-N 1 1 255.361 2.646 20 30 CFEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000490779494 332114839 /nfs/dbraw/zinc/11/48/39/332114839.db2.gz XNODZVABKBDFRE-HNNXBMFYSA-N 1 1 272.392 2.894 20 30 CFEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C ZINC000490779494 332114840 /nfs/dbraw/zinc/11/48/40/332114840.db2.gz XNODZVABKBDFRE-HNNXBMFYSA-N 1 1 272.392 2.894 20 30 CFEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000490838668 332119026 /nfs/dbraw/zinc/11/90/26/332119026.db2.gz DBNCILZWHMLXLC-LBPRGKRZSA-N 1 1 278.783 2.931 20 30 CFEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(C)cc1Cl ZINC000490838668 332119027 /nfs/dbraw/zinc/11/90/27/332119027.db2.gz DBNCILZWHMLXLC-LBPRGKRZSA-N 1 1 278.783 2.931 20 30 CFEDMO C#CC[N@H+](CCCc1nc(C)no1)[C@@H]1CCc2ccccc21 ZINC000490867110 332122562 /nfs/dbraw/zinc/12/25/62/332122562.db2.gz ZXRYCICEWIYCRK-QGZVFWFLSA-N 1 1 295.386 2.933 20 30 CFEDMO C#CC[N@H+](C[C@@H](O)c1cc2ccccc2o1)C1CC1 ZINC000491121710 332152625 /nfs/dbraw/zinc/15/26/25/332152625.db2.gz RYFPRHPPYVGFGY-CQSZACIVSA-N 1 1 255.317 2.564 20 30 CFEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000491155079 332158049 /nfs/dbraw/zinc/15/80/49/332158049.db2.gz OMRWHQZGEBWHQJ-OAHLLOKOSA-N 1 1 290.794 2.616 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000491286672 332181228 /nfs/dbraw/zinc/18/12/28/332181228.db2.gz JAOZXYJEKYWNFM-IUODEOHRSA-N 1 1 292.448 2.905 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000491286672 332181229 /nfs/dbraw/zinc/18/12/29/332181229.db2.gz JAOZXYJEKYWNFM-IUODEOHRSA-N 1 1 292.448 2.905 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000491287501 332181911 /nfs/dbraw/zinc/18/19/11/332181911.db2.gz MQOVUVSEWNYEOW-ZDUSSCGKSA-N 1 1 267.332 2.722 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Oc2ccccc2)nn1 ZINC000491287501 332181913 /nfs/dbraw/zinc/18/19/13/332181913.db2.gz MQOVUVSEWNYEOW-ZDUSSCGKSA-N 1 1 267.332 2.722 20 30 CFEDMO C#C[C@@H](CC)NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000491288958 332182360 /nfs/dbraw/zinc/18/23/60/332182360.db2.gz WBVZVIQIFIHZFZ-INIZCTEOSA-N 1 1 284.403 2.813 20 30 CFEDMO C#C[C@H](C)[N@H+](C)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000491289089 332182552 /nfs/dbraw/zinc/18/25/52/332182552.db2.gz WOEMWOMSKYKSAL-XEZPLFJOSA-N 1 1 295.810 2.732 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)CCC(=O)Nc1ccccc1SC ZINC000491371361 332198920 /nfs/dbraw/zinc/19/89/20/332198920.db2.gz DUDYVFANOAGWOD-GFCCVEGCSA-N 1 1 276.405 2.691 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000491425614 332209063 /nfs/dbraw/zinc/20/90/63/332209063.db2.gz BBULAERKKVERLL-RISCZKNCSA-N 1 1 285.309 2.562 20 30 CFEDMO C#CC[N@H+](CCc1ccnn1C)[C@H]1CCc2ccccc21 ZINC000491508249 332225941 /nfs/dbraw/zinc/22/59/41/332225941.db2.gz ZGCYFHDXBNKYKX-SFHVURJKSA-N 1 1 279.387 2.585 20 30 CFEDMO C#CCN(C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1)C1CC1 ZINC000491516977 332227887 /nfs/dbraw/zinc/22/78/87/332227887.db2.gz WCHUUGFZWSPINO-UHFFFAOYSA-N 1 1 296.414 2.909 20 30 CFEDMO C#CC[N@H+](CCc1ccnn1CC)C1CCCCC1 ZINC000491544729 332234525 /nfs/dbraw/zinc/23/45/25/332234525.db2.gz NHYDOVYSIWWEDM-UHFFFAOYSA-N 1 1 259.397 2.713 20 30 CFEDMO C[C@H](CNCc1cccc(OCCCC#N)c1)C[NH+](C)C ZINC000491590468 332241793 /nfs/dbraw/zinc/24/17/93/332241793.db2.gz AGXWBQLVSCMNPO-OAHLLOKOSA-N 1 1 289.423 2.656 20 30 CFEDMO C=CCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000172173328 335096531 /nfs/dbraw/zinc/09/65/31/335096531.db2.gz NXGFLNFCWWSATG-HNNXBMFYSA-N 1 1 259.349 2.553 20 30 CFEDMO C=CCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)OC ZINC000172173328 335096532 /nfs/dbraw/zinc/09/65/32/335096532.db2.gz NXGFLNFCWWSATG-HNNXBMFYSA-N 1 1 259.349 2.553 20 30 CFEDMO C#CC[N@H+](C[C@H]1CC2(CC2)C(=O)O1)[C@@H]1CCc2ccccc21 ZINC000491628334 332251675 /nfs/dbraw/zinc/25/16/75/332251675.db2.gz VFMFHPOXZFWRDT-NVXWUHKLSA-N 1 1 295.382 2.705 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000491632786 332254708 /nfs/dbraw/zinc/25/47/08/332254708.db2.gz SRNUUNOTUMADNF-KIWPFMIBSA-N 1 1 258.321 2.952 20 30 CFEDMO C#C[C@H](C)N(C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000491651495 332264781 /nfs/dbraw/zinc/26/47/81/332264781.db2.gz HFTBMKUQBDGOEO-INIZCTEOSA-N 1 1 299.462 2.671 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000491660768 332270969 /nfs/dbraw/zinc/27/09/69/332270969.db2.gz DDSFWAPBFGSULF-LLVKDONJSA-N 1 1 264.756 2.622 20 30 CFEDMO 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DHRGRZCTKGPZEF-KBPBESRZSA-N 1 1 291.395 2.632 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000491792296 332352799 /nfs/dbraw/zinc/35/27/99/332352799.db2.gz DXCOROBDONEBCW-UHFFFAOYSA-N 1 1 298.839 2.704 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)N(C)Cc1ccc(Cl)s1 ZINC000491792296 332352801 /nfs/dbraw/zinc/35/28/01/332352801.db2.gz DXCOROBDONEBCW-UHFFFAOYSA-N 1 1 298.839 2.704 20 30 CFEDMO C#CC[N@@H+](CCc1cscn1)Cc1ccccc1 ZINC000491803202 332357187 /nfs/dbraw/zinc/35/71/87/332357187.db2.gz IQNWNJGOLSHFCH-UHFFFAOYSA-N 1 1 256.374 2.821 20 30 CFEDMO C#CC[N@H+](CCOCC(F)(F)F)Cc1ccccc1 ZINC000491808049 332361114 /nfs/dbraw/zinc/36/11/14/332361114.db2.gz CWKINGGRMSEIFR-UHFFFAOYSA-N 1 1 271.282 2.701 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1nc2ccc(OC)cc2s1 ZINC000491808800 332361628 /nfs/dbraw/zinc/36/16/28/332361628.db2.gz FOQHGMRTBVPZKB-SNVBAGLBSA-N 1 1 260.362 2.758 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1nc2ccc(OC)cc2s1 ZINC000491808800 332361629 /nfs/dbraw/zinc/36/16/29/332361629.db2.gz 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/nfs/dbraw/zinc/04/14/57/333041457.db2.gz SDWPQCJKOXSMIC-UHFFFAOYSA-N 1 1 267.376 2.951 20 30 CFEDMO C#C[C@H](CC)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309787084 333049298 /nfs/dbraw/zinc/04/92/98/333049298.db2.gz NIJMCAGQSGIMNH-KBAYOESNSA-N 1 1 270.420 2.898 20 30 CFEDMO C#C[C@H](CC)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309787084 333049299 /nfs/dbraw/zinc/04/92/99/333049299.db2.gz NIJMCAGQSGIMNH-KBAYOESNSA-N 1 1 270.420 2.898 20 30 CFEDMO C#C[C@H](CC)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309787084 333049301 /nfs/dbraw/zinc/04/93/01/333049301.db2.gz NIJMCAGQSGIMNH-KBAYOESNSA-N 1 1 270.420 2.898 20 30 CFEDMO CC#CCC[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309807470 333050014 /nfs/dbraw/zinc/05/00/14/333050014.db2.gz VBXGISKJXURSJL-FUHWJXTLSA-N 1 1 270.420 2.900 20 30 CFEDMO N#CC1(C[NH2+]Cc2c(C3CC3)nc3sccn23)CC1 ZINC000516903782 333086012 /nfs/dbraw/zinc/08/60/12/333086012.db2.gz MSCFZNLEIMPVQB-UHFFFAOYSA-N 1 1 272.377 2.667 20 30 CFEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000521042431 333110560 /nfs/dbraw/zinc/11/05/60/333110560.db2.gz GYFNMBNABCTOGG-KEYYUXOJSA-N 1 1 271.408 2.571 20 30 CFEDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000521042431 333110561 /nfs/dbraw/zinc/11/05/61/333110561.db2.gz GYFNMBNABCTOGG-KEYYUXOJSA-N 1 1 271.408 2.571 20 30 CFEDMO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(CC#N)cc1 ZINC000521042431 333110562 /nfs/dbraw/zinc/11/05/62/333110562.db2.gz GYFNMBNABCTOGG-KEYYUXOJSA-N 1 1 271.408 2.571 20 30 CFEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(CC#N)cc1 ZINC000521042431 333110563 /nfs/dbraw/zinc/11/05/63/333110563.db2.gz GYFNMBNABCTOGG-KEYYUXOJSA-N 1 1 271.408 2.571 20 30 CFEDMO C=C(C)CN(C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000183350332 333120625 /nfs/dbraw/zinc/12/06/25/333120625.db2.gz WNMBMINICKJCTI-HNNXBMFYSA-N 1 1 281.444 2.572 20 30 CFEDMO CCc1ccc([C@@H](C#N)NC(=O)[C@@H](C)Cc2cnc[nH]2)cc1 ZINC000565198078 333121787 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CC[N@@H+](CCCC(C)(C)C#N)C[C@H](O)C(F)(F)F ZINC000189463603 333193164 /nfs/dbraw/zinc/19/31/64/333193164.db2.gz OCLWQOKPBRJHQZ-JTQLQIEISA-N 1 1 266.307 2.561 20 30 CFEDMO Cc1noc(C)c1CO[C@@H]1CC[N@H+]([C@@H](C)CCC#N)C1 ZINC000575848664 335123011 /nfs/dbraw/zinc/12/30/11/335123011.db2.gz BCSUXBRSKXYHQV-SMDDNHRTSA-N 1 1 277.368 2.575 20 30 CFEDMO Cc1noc(C)c1CO[C@H]1CC[N@H+]([C@H](C)CCC#N)C1 ZINC000575848663 335123030 /nfs/dbraw/zinc/12/30/30/335123030.db2.gz BCSUXBRSKXYHQV-RISCZKNCSA-N 1 1 277.368 2.575 20 30 CFEDMO C=CC[N@@H+](CCN1CCO[C@@H](C)C1)Cc1ccccc1F ZINC000191458685 333219990 /nfs/dbraw/zinc/21/99/90/333219990.db2.gz QEVQMGHCTHIJDL-HNNXBMFYSA-N 1 1 292.398 2.534 20 30 CFEDMO C=CC[N@H+](CCN1CCO[C@@H](C)C1)Cc1ccccc1F ZINC000191458685 333219991 /nfs/dbraw/zinc/21/99/91/333219991.db2.gz QEVQMGHCTHIJDL-HNNXBMFYSA-N 1 1 292.398 2.534 20 30 CFEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)C#N)cc1 ZINC000522018271 333230394 /nfs/dbraw/zinc/23/03/94/333230394.db2.gz NCCOIXQGBMONIU-AWEZNQCLSA-N 1 1 287.407 2.808 20 30 CFEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000522057237 333232358 /nfs/dbraw/zinc/23/23/58/333232358.db2.gz LQMZDKGFFHSLBY-UHFFFAOYSA-N 1 1 270.311 2.609 20 30 CFEDMO C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(C#N)CC1 ZINC000250208279 333303504 /nfs/dbraw/zinc/30/35/04/333303504.db2.gz LFIQPNCVQMDVQC-CTASWTNQSA-N 1 1 291.439 2.551 20 30 CFEDMO N#CCc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250237759 333303749 /nfs/dbraw/zinc/30/37/49/333303749.db2.gz FQMKKAADKNEPQE-HOTGVXAUSA-N 1 1 255.365 2.791 20 30 CFEDMO C=CCOc1ccccc1CNCC[N@@H+]1CC[C@@H](C)C1 ZINC000524771407 333387798 /nfs/dbraw/zinc/38/77/98/333387798.db2.gz DOBGZENMNRSUAJ-OAHLLOKOSA-N 1 1 274.408 2.683 20 30 CFEDMO C=CCOc1ccccc1C[NH2+]CCN1CC[C@@H](C)C1 ZINC000524771407 333387799 /nfs/dbraw/zinc/38/77/99/333387799.db2.gz DOBGZENMNRSUAJ-OAHLLOKOSA-N 1 1 274.408 2.683 20 30 CFEDMO C=CCN(CCC#N)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000576060307 335147671 /nfs/dbraw/zinc/14/76/71/335147671.db2.gz LPAHFIXRSPTWEJ-UHFFFAOYSA-N 1 1 277.412 2.569 20 30 CFEDMO N#CCC1CC[NH+](CC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000541951498 333804055 /nfs/dbraw/zinc/80/40/55/333804055.db2.gz HUAYBWYMSXNKKA-UHFFFAOYSA-N 1 1 297.402 2.739 20 30 CFEDMO Cc1nn(-c2ccncc2)cc1C[NH+]1CCC(CC#N)CC1 ZINC000543414925 333872752 /nfs/dbraw/zinc/87/27/52/333872752.db2.gz QRSJVMXFGLHJPF-UHFFFAOYSA-N 1 1 295.390 2.701 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCc2ccsc2C1 ZINC000132765257 334004938 /nfs/dbraw/zinc/00/49/38/334004938.db2.gz DYZSOJKPUOEHOM-CYBMUJFWSA-N 1 1 290.432 2.695 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCc2ccsc2C1 ZINC000132765257 334004939 /nfs/dbraw/zinc/00/49/39/334004939.db2.gz DYZSOJKPUOEHOM-CYBMUJFWSA-N 1 1 290.432 2.695 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000076738404 334088401 /nfs/dbraw/zinc/08/84/01/334088401.db2.gz GIZBJJJSBCWDJB-HZPDHXFCSA-N 1 1 296.455 2.596 20 30 CFEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C)C1CCCCCC1 ZINC000076826764 334089698 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C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCC1CC1 ZINC000135284246 334123395 /nfs/dbraw/zinc/12/33/95/334123395.db2.gz XOKLENCPZXDKSS-CYBMUJFWSA-N 1 1 252.402 2.531 20 30 CFEDMO CCN1CC[C@H]([N@H+](C)CCCC(C)(C)C#N)[C@H](C)C1 ZINC000079461632 334155036 /nfs/dbraw/zinc/15/50/36/334155036.db2.gz LDFKDYNXGALCDT-CABCVRRESA-N 1 1 265.445 2.978 20 30 CFEDMO CCN1CC[C@H]([N@@H+](C)CCCC(C)(C)C#N)[C@H](C)C1 ZINC000079461632 334155037 /nfs/dbraw/zinc/15/50/37/334155037.db2.gz LDFKDYNXGALCDT-CABCVRRESA-N 1 1 265.445 2.978 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000550079873 334212412 /nfs/dbraw/zinc/21/24/12/334212412.db2.gz SGKIQEHAKDNSTP-GJZGRUSLSA-N 1 1 278.440 2.922 20 30 CFEDMO C=CCN(CC1CCCCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000551943168 334267169 /nfs/dbraw/zinc/26/71/69/334267169.db2.gz WFQDWUZZOPDLJK-OAHLLOKOSA-N 1 1 264.413 2.533 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000248257357 334297641 /nfs/dbraw/zinc/29/76/41/334297641.db2.gz VCPPOJCPNGOPCJ-RRFJBIMHSA-N 1 1 266.429 2.825 20 30 CFEDMO N#C[C@@H]1CCC[C@@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000248875434 334320446 /nfs/dbraw/zinc/32/04/46/334320446.db2.gz JESBVCIUOUJGLN-ZACQAIPSSA-N 1 1 275.440 2.923 20 30 CFEDMO N#C[C@@H]1CCC[C@@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000248875434 334320447 /nfs/dbraw/zinc/32/04/47/334320447.db2.gz JESBVCIUOUJGLN-ZACQAIPSSA-N 1 1 275.440 2.923 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248920252 334321718 /nfs/dbraw/zinc/32/17/18/334321718.db2.gz KSGVJMSKGKDQKW-KCQAQPDRSA-N 1 1 252.402 2.530 20 30 CFEDMO CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)N(CC)C[C@H](C)C#N ZINC000249289744 334331453 /nfs/dbraw/zinc/33/14/53/334331453.db2.gz AEHIXWZLVACRHH-OAGGEKHMSA-N 1 1 293.455 2.895 20 30 CFEDMO CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCC#N)cc2)C1 ZINC000249384521 334333075 /nfs/dbraw/zinc/33/30/75/334333075.db2.gz YANBGHFCZOMOFL-CABCVRRESA-N 1 1 287.407 2.581 20 30 CFEDMO 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CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC000312055066 520477021 /nfs/dbraw/zinc/47/70/21/520477021.db2.gz YVAAXAJDYJGYSW-UHFFFAOYSA-N 1 1 262.328 2.698 20 30 CFEDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000336307002 520529001 /nfs/dbraw/zinc/52/90/01/520529001.db2.gz SBAHSKUJZZVUHT-AWEZNQCLSA-N 1 1 276.355 2.680 20 30 CFEDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C#N)c1 ZINC000338438784 520587842 /nfs/dbraw/zinc/58/78/42/520587842.db2.gz ICVWHQDZBGVUQW-KRWDZBQOSA-N 1 1 299.418 2.943 20 30 CFEDMO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000361417028 520677473 /nfs/dbraw/zinc/67/74/73/520677473.db2.gz VRJKAXKXTZGUKV-CYBMUJFWSA-N 1 1 296.317 2.505 20 30 CFEDMO CC1(C)[C@H](O)CC[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000361417028 520677484 /nfs/dbraw/zinc/67/74/84/520677484.db2.gz VRJKAXKXTZGUKV-CYBMUJFWSA-N 1 1 296.317 2.505 20 30 CFEDMO CCCC[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000314039595 521003073 /nfs/dbraw/zinc/00/30/73/521003073.db2.gz MSQITNFISJREOO-ZBFHGGJFSA-N 1 1 290.407 2.808 20 30 CFEDMO Cc1occc1C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000414367470 534572665 /nfs/dbraw/zinc/57/26/65/534572665.db2.gz FDHHSMLEEHXFRF-UHFFFAOYSA-N 1 1 299.349 2.921 20 30 CFEDMO CC[N@H+]1CCC[C@@H]1CNc1nc(C)c(C#N)cc1Cl ZINC000311982942 521640558 /nfs/dbraw/zinc/64/05/58/521640558.db2.gz QYXVENLXCPLUJY-GFCCVEGCSA-N 1 1 278.787 2.811 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000192110313 521713503 /nfs/dbraw/zinc/71/35/03/521713503.db2.gz MHJWQHJOEFQQGD-CXAGYDPISA-N 1 1 289.398 2.859 20 30 CFEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000192110313 521713508 /nfs/dbraw/zinc/71/35/08/521713508.db2.gz MHJWQHJOEFQQGD-CXAGYDPISA-N 1 1 289.398 2.859 20 30 CFEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)[C@H](C)C1 ZINC000192110313 521713509 /nfs/dbraw/zinc/71/35/09/521713509.db2.gz MHJWQHJOEFQQGD-CXAGYDPISA-N 1 1 289.398 2.859 20 30 CFEDMO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268609355 534603082 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ZINC000234926696 522463297 /nfs/dbraw/zinc/46/32/97/522463297.db2.gz RSUMWTYMHVPHLL-UHFFFAOYSA-N 1 1 256.305 2.758 20 30 CFEDMO C[N@@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H]1CCC(C)(C)C1 ZINC000361469245 522484377 /nfs/dbraw/zinc/48/43/77/522484377.db2.gz LPBNJWRDBBBCFI-INIZCTEOSA-N 1 1 299.418 2.685 20 30 CFEDMO COc1cc(C[NH2+][C@H](C)c2nccnc2C)ccc1C#N ZINC000353611432 522486282 /nfs/dbraw/zinc/48/62/82/522486282.db2.gz PKEIRUWRYMAEMF-GFCCVEGCSA-N 1 1 282.347 2.516 20 30 CFEDMO COC[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192024541 522832266 /nfs/dbraw/zinc/83/22/66/522832266.db2.gz AQCSMPKQMVCKQM-ZDUSSCGKSA-N 1 1 262.328 2.556 20 30 CFEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cscc1C#N ZINC000340805482 522930130 /nfs/dbraw/zinc/93/01/30/522930130.db2.gz UZKQAHQPDGNGDS-ZDUSSCGKSA-N 1 1 291.420 2.566 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CCCC[C@@H]1O ZINC000192167878 523207877 /nfs/dbraw/zinc/20/78/77/523207877.db2.gz NKDPBISFWBXEJU-HOCLYGCPSA-N 1 1 276.355 2.680 20 30 CFEDMO CC[C@H]1C[N@@H+](CCCOc2cccc(C#N)c2)C[C@@H](C)O1 ZINC000246133385 523275741 /nfs/dbraw/zinc/27/57/41/523275741.db2.gz ZTMLHFHHSVLZGL-ZBFHGGJFSA-N 1 1 288.391 2.826 20 30 CFEDMO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1C#N ZINC000069402461 523284163 /nfs/dbraw/zinc/28/41/63/523284163.db2.gz VFCATOYPVXCXPM-HNNXBMFYSA-N 1 1 290.338 2.615 20 30 CFEDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000069402461 523284174 /nfs/dbraw/zinc/28/41/74/523284174.db2.gz VFCATOYPVXCXPM-HNNXBMFYSA-N 1 1 290.338 2.615 20 30 CFEDMO C[N@H+](Cc1ccccc1C#N)[C@H](CC(N)=O)c1ccccc1 ZINC000361467809 523360247 /nfs/dbraw/zinc/36/02/47/523360247.db2.gz DFTOLTRDGLNJOR-QGZVFWFLSA-N 1 1 293.370 2.607 20 30 CFEDMO C[N@@H+](Cc1ccccc1C#N)[C@H](CC(N)=O)c1ccccc1 ZINC000361467809 523360252 /nfs/dbraw/zinc/36/02/52/523360252.db2.gz DFTOLTRDGLNJOR-QGZVFWFLSA-N 1 1 293.370 2.607 20 30 CFEDMO CO[C@@H](C)C[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000310400961 523406328 /nfs/dbraw/zinc/40/63/28/523406328.db2.gz JAZITGDFWOFCOY-JTQLQIEISA-N 1 1 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2.635 20 30 CFEDMO C=CC[N@H+]1C[C@H](NC(=O)CC2CCCCC2)C(C)(C)C1 ZINC000972782409 613826379 /nfs/dbraw/zinc/82/63/79/613826379.db2.gz ANDSOQMUIDUFAX-HNNXBMFYSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@H+]1C[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C(C)(C)C1 ZINC000974621424 613827190 /nfs/dbraw/zinc/82/71/90/613827190.db2.gz WBORLHMDFCFJAG-QXSJWSMHSA-N 1 1 288.435 2.601 20 30 CFEDMO C=CC[N@@H+]1C[C@H](NC(=O)[C@@H](C)c2ccsc2)C(C)(C)C1 ZINC000975024577 613827332 /nfs/dbraw/zinc/82/73/32/613827332.db2.gz CDWTZBKHOVLRPI-JSGCOSHPSA-N 1 1 292.448 2.864 20 30 CFEDMO C=CC[N@@H+]1C[C@H](NC(=O)[C@@H](C)c2cccs2)C(C)(C)C1 ZINC000975029962 613827463 /nfs/dbraw/zinc/82/74/63/613827463.db2.gz PLTPWVOWQLXHAE-JSGCOSHPSA-N 1 1 292.448 2.864 20 30 CFEDMO C=CC[N@H+]1C[C@H](NC(=O)[C@H]2CC23CCCC3)C(C)(C)C1 ZINC000977447851 613827710 /nfs/dbraw/zinc/82/77/10/613827710.db2.gz MJIVQFIKBIQRCO-KGLIPLIRSA-N 1 1 276.424 2.579 20 30 CFEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc[nH]c2CCC)C(C)(C)C1 ZINC000974954664 613828807 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C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3C=CC=CC=C3)C[C@@H]2C1 ZINC000979780355 613833556 /nfs/dbraw/zinc/83/35/56/613833556.db2.gz XLYVDGOXAAOPPB-KSZLIROESA-N 1 1 298.430 2.688 20 30 CFEDMO C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C3CCCC3)C[C@@H]2C1 ZINC000979500796 613833659 /nfs/dbraw/zinc/83/36/59/613833659.db2.gz LVMWJTVYKSFTPL-XHSDSOJGSA-N 1 1 276.424 2.579 20 30 CFEDMO CC(C)C(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@H]1C ZINC000941832031 613954373 /nfs/dbraw/zinc/95/43/73/613954373.db2.gz KSKXHVOBBBNTKB-AEFFLSMTSA-N 1 1 298.430 2.521 20 30 CFEDMO CC(C)C(=O)N[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC000941836309 613955789 /nfs/dbraw/zinc/95/57/89/613955789.db2.gz IREOGXDOBFFINO-PBHICJAKSA-N 1 1 299.418 2.541 20 30 CFEDMO C=CC[C@H](NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)c1ccncc1 ZINC000900722473 620705222 /nfs/dbraw/zinc/70/52/22/620705222.db2.gz IHMCKBKRYPOAJO-IKGGRYGDSA-N 1 1 299.418 2.832 20 30 CFEDMO C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000900737544 620708557 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COc1ccc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(O)c1OC ZINC000893527862 619037123 /nfs/dbraw/zinc/03/71/23/619037123.db2.gz QJCLPFAZBGVTQK-INIZCTEOSA-N 1 1 290.363 2.535 20 30 CFEDMO COc1ccc(C[N@H+]2CCC[C@@](C)(C#N)C2)c(O)c1OC ZINC000893527862 619037127 /nfs/dbraw/zinc/03/71/27/619037127.db2.gz QJCLPFAZBGVTQK-INIZCTEOSA-N 1 1 290.363 2.535 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000931620098 619062037 /nfs/dbraw/zinc/06/20/37/619062037.db2.gz DCZFDYIFIIFILO-MSOLQXFVSA-N 1 1 283.419 2.844 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000931620098 619062039 /nfs/dbraw/zinc/06/20/39/619062039.db2.gz DCZFDYIFIIFILO-MSOLQXFVSA-N 1 1 283.419 2.844 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000931620098 619062041 /nfs/dbraw/zinc/06/20/41/619062041.db2.gz DCZFDYIFIIFILO-MSOLQXFVSA-N 1 1 283.419 2.844 20 30 CFEDMO CC(C)c1cccc(NC(=[NH2+])NCCN(C)C(C)C)c1 ZINC000104191700 619066876 /nfs/dbraw/zinc/06/68/76/619066876.db2.gz 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ZINC000902796917 621179499 /nfs/dbraw/zinc/17/94/99/621179499.db2.gz WIBLWGCBKRLMJJ-GJZGRUSLSA-N 1 1 263.385 2.793 20 30 CFEDMO CCCn1cc([C@@H](C)[NH2+][C@H](C)c2cccc(C#N)c2)nn1 ZINC000902827690 621183294 /nfs/dbraw/zinc/18/32/94/621183294.db2.gz MZIJVTWXZAVYNJ-CHWSQXEVSA-N 1 1 283.379 2.972 20 30 CFEDMO CC(=NOCCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000902856426 621195392 /nfs/dbraw/zinc/19/53/92/621195392.db2.gz MDKWADLATSJXSO-UHFFFAOYSA-N 1 1 261.300 2.543 20 30 CFEDMO C[C@H](N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(C#N)ccn1 ZINC000903044024 621239762 /nfs/dbraw/zinc/23/97/62/621239762.db2.gz JHRKOQFLSHCANB-LXZKKBNFSA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@H](N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(C#N)ccn1 ZINC000903044024 621239764 /nfs/dbraw/zinc/23/97/64/621239764.db2.gz JHRKOQFLSHCANB-LXZKKBNFSA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)CN1CCC(C)CC1)c1cc(C#N)ccn1 ZINC000903052909 621242737 /nfs/dbraw/zinc/24/27/37/621242737.db2.gz LJODRAKRGGUZLV-LSDHHAIUSA-N 1 1 286.423 2.724 20 30 CFEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc([S@@](C)=O)cc1 ZINC000903100727 621252851 /nfs/dbraw/zinc/25/28/51/621252851.db2.gz WINUUDLHDGJVPK-ADLMAVQZSA-N 1 1 264.394 2.624 20 30 CFEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(C(=O)N(C)C)cc1 ZINC000903101152 621253055 /nfs/dbraw/zinc/25/30/55/621253055.db2.gz BJRCJQFZAZRAAS-LBPRGKRZSA-N 1 1 273.380 2.589 20 30 CFEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccnn1-c1ccccc1 ZINC000903105964 621254988 /nfs/dbraw/zinc/25/49/88/621254988.db2.gz JQSCAYLDHDRLBE-CYBMUJFWSA-N 1 1 266.348 2.827 20 30 CFEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000903263012 621304134 /nfs/dbraw/zinc/30/41/34/621304134.db2.gz KDVKDIUYQZOYSJ-GFCCVEGCSA-N 1 1 297.383 2.878 20 30 CFEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc2c(c1)COC2 ZINC000903264451 621304673 /nfs/dbraw/zinc/30/46/73/621304673.db2.gz UBKAKDNHRFXSAS-JTQLQIEISA-N 1 1 285.372 2.896 20 30 CFEDMO N#CC1CCC(C[N@H+](C2CC2)C2CCNCC2)CC1 ZINC000903421706 621378251 /nfs/dbraw/zinc/37/82/51/621378251.db2.gz RXLYYXQBIGUGDO-UHFFFAOYSA-N 1 1 261.413 2.533 20 30 CFEDMO N#CC1CCC(C[N@@H+](C2CC2)C2CCNCC2)CC1 ZINC000903421706 621378252 /nfs/dbraw/zinc/37/82/52/621378252.db2.gz RXLYYXQBIGUGDO-UHFFFAOYSA-N 1 1 261.413 2.533 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](C)[C@@H]1CN ZINC000903424837 621380158 /nfs/dbraw/zinc/38/01/58/621380158.db2.gz IOBOREFVCVMEGC-PXAZEXFGSA-N 1 1 271.408 2.734 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](C)[C@@H]1CN ZINC000903424837 621380159 /nfs/dbraw/zinc/38/01/59/621380159.db2.gz IOBOREFVCVMEGC-PXAZEXFGSA-N 1 1 271.408 2.734 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](C)[C@H]1CN ZINC000903424840 621380166 /nfs/dbraw/zinc/38/01/66/621380166.db2.gz IOBOREFVCVMEGC-YVEFUNNKSA-N 1 1 271.408 2.734 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](C)[C@H]1CN ZINC000903424840 621380169 /nfs/dbraw/zinc/38/01/69/621380169.db2.gz IOBOREFVCVMEGC-YVEFUNNKSA-N 1 1 271.408 2.734 20 30 CFEDMO CCC[N@H+](CC1CCC(C#N)CC1)C1CCNCC1 ZINC000903445960 621383812 /nfs/dbraw/zinc/38/38/12/621383812.db2.gz OWZDDDKOGOYKPJ-UHFFFAOYSA-N 1 1 263.429 2.780 20 30 CFEDMO CCC[N@@H+](CC1CCC(C#N)CC1)C1CCNCC1 ZINC000903445960 621383817 /nfs/dbraw/zinc/38/38/17/621383817.db2.gz OWZDDDKOGOYKPJ-UHFFFAOYSA-N 1 1 263.429 2.780 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](CN)C(C)(C)C ZINC000903454813 621388068 /nfs/dbraw/zinc/38/80/68/621388068.db2.gz KBBGGWHSTNGBBN-HNNXBMFYSA-N 1 1 259.397 2.638 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000903475806 621390184 /nfs/dbraw/zinc/39/01/84/621390184.db2.gz DOKOPXAOAUHKRY-SJLPKXTDSA-N 1 1 283.419 2.749 20 30 CFEDMO CCCCCCN(O)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000904207176 621544120 /nfs/dbraw/zinc/54/41/20/621544120.db2.gz TZEKBWGYNAGZTD-UHFFFAOYSA-N 1 1 288.351 2.679 20 30 CFEDMO C=CC[C@@H]1[N@H+](Cc2ccc(N)nn2)CCCC1(C)C ZINC000904346963 621579522 /nfs/dbraw/zinc/57/95/22/621579522.db2.gz ACOJKUSQDUMBBL-ZDUSSCGKSA-N 1 1 260.385 2.626 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cc(C)ccn2)no1 ZINC000904548049 621606957 /nfs/dbraw/zinc/60/69/57/621606957.db2.gz IEJRFJLJWOMOAE-NSHDSACASA-N 1 1 258.325 2.796 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(CCC(F)(F)F)no1 ZINC000904545207 621607024 /nfs/dbraw/zinc/60/70/24/621607024.db2.gz FSXGMKFFNPTNLG-QMMMGPOBSA-N 1 1 263.263 2.921 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccc3c(c2)CCO3)no1 ZINC000904576862 621612383 /nfs/dbraw/zinc/61/23/83/621612383.db2.gz MWOCECCSLGSBBW-CQSZACIVSA-N 1 1 299.374 2.951 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc3nc[nH]c3c2)no1 ZINC000904607155 621615781 /nfs/dbraw/zinc/61/57/81/621615781.db2.gz MQGJLPNMSMCZCA-NSHDSACASA-N 1 1 283.335 2.969 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(CCCOC(C)C)no1 ZINC000904615269 621616106 /nfs/dbraw/zinc/61/61/06/621616106.db2.gz JDSBPDUSXKGZLM-GFCCVEGCSA-N 1 1 267.373 2.783 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2cn(C)nc2C(C)C)no1 ZINC000904724601 621625538 /nfs/dbraw/zinc/62/55/38/621625538.db2.gz PHXPGTYKIIMCMA-LBPRGKRZSA-N 1 1 289.383 2.950 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2c3ccccc3nn2C)no1 ZINC000904708591 621627458 /nfs/dbraw/zinc/62/74/58/621627458.db2.gz QEBVFQQSADNQCE-LBPRGKRZSA-N 1 1 297.362 2.979 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H]2CCOC[C@H]2C)no1 ZINC000904711112 621628201 /nfs/dbraw/zinc/62/82/01/621628201.db2.gz GJPBKLRWXBDFQS-UTUOFQBUSA-N 1 1 265.357 2.566 20 30 CFEDMO N#CC1(C[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905244641 621726449 /nfs/dbraw/zinc/72/64/49/621726449.db2.gz RAFDDONAPCQCFH-GFCCVEGCSA-N 1 1 285.174 2.920 20 30 CFEDMO Cc1cc(N[NH2+]C2=CC(=O)N3CCC[C@@H]23)ccc1Cl ZINC000905510892 621784113 /nfs/dbraw/zinc/78/41/13/621784113.db2.gz XCFAQGWDJXANHB-ZDUSSCGKSA-N 1 1 277.755 2.811 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCn3cccc3C2)c1O ZINC000905745148 621843935 /nfs/dbraw/zinc/84/39/35/621843935.db2.gz LESMDZQYDSHRQN-UHFFFAOYSA-N 1 1 298.386 2.947 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2CCn3cccc3C2)c1O ZINC000905745148 621843941 /nfs/dbraw/zinc/84/39/41/621843941.db2.gz LESMDZQYDSHRQN-UHFFFAOYSA-N 1 1 298.386 2.947 20 30 CFEDMO C=CC[C@H]([NH2+]C[C@@H]1CCCO[C@@H]1C(C)(C)C)C(=O)OC ZINC000905763790 621854913 /nfs/dbraw/zinc/85/49/13/621854913.db2.gz ZVMHXHOTQIXRKO-IHRRRGAJSA-N 1 1 283.412 2.535 20 30 CFEDMO C=CC[C@@H]([NH2+][C@@H](C)CCCC(F)(F)F)C(=O)OC ZINC000905765328 621856304 /nfs/dbraw/zinc/85/63/04/621856304.db2.gz YYZRHMFBDBOAMI-VHSXEESVSA-N 1 1 267.291 2.815 20 30 CFEDMO CC(C)[C@H]1[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC1(C)C ZINC000905959285 621912168 /nfs/dbraw/zinc/91/21/68/621912168.db2.gz SCJJLPXFZGLFLU-ZIAGYGMSSA-N 1 1 264.413 2.798 20 30 CFEDMO C=C[C@H](CC)CC(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC000905982338 621913702 /nfs/dbraw/zinc/91/37/02/621913702.db2.gz ABQNUDFJHOKLHQ-YIYPIFLZSA-N 1 1 252.402 2.528 20 30 CFEDMO CC[N@H+]1CCC[C@@H](CNC(=O)c2cc(C)c(C#N)c(C)c2)C1 ZINC000906449032 621991242 /nfs/dbraw/zinc/99/12/42/621991242.db2.gz PMUQDGPQBRVEAA-HNNXBMFYSA-N 1 1 299.418 2.637 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(-c2cnco2)cc1 ZINC000906496595 621993235 /nfs/dbraw/zinc/99/32/35/621993235.db2.gz UZWQWPVVILKRNV-AWEZNQCLSA-N 1 1 280.331 2.875 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@@]2(C#N)CCC[C@H](C)C2)C1 ZINC000906721742 622034713 /nfs/dbraw/zinc/03/47/13/622034713.db2.gz PZRIXHODNZEUCX-ZOBUZTSGSA-N 1 1 291.439 2.697 20 30 CFEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)c(C#N)c(C)c2)C1 ZINC000906844228 622053455 /nfs/dbraw/zinc/05/34/55/622053455.db2.gz BFCSQZZOSQSBKV-HNNXBMFYSA-N 1 1 299.418 2.589 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C#N)C2CCCCC2)C1 ZINC000906903486 622060905 /nfs/dbraw/zinc/06/09/05/622060905.db2.gz XYAFXNIOXIXBOQ-HZPDHXFCSA-N 1 1 291.439 2.697 20 30 CFEDMO C#CC[C@@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC000907136345 622089854 /nfs/dbraw/zinc/08/98/54/622089854.db2.gz IGAOCKRLDJUMJO-ZWKOTPCHSA-N 1 1 298.430 2.989 20 30 CFEDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1cc(C)c(C#N)c(C)c1 ZINC000907930889 622172041 /nfs/dbraw/zinc/17/20/41/622172041.db2.gz QLNNVIBGVTZJOH-MRXNPFEDSA-N 1 1 299.418 2.731 20 30 CFEDMO C[N@@H+](CC(=O)Nc1cc(C#N)ccc1NC1CC1)C1CCC1 ZINC000907933987 622178275 /nfs/dbraw/zinc/17/82/75/622178275.db2.gz DHPJBHNKHPYFRK-UHFFFAOYSA-N 1 1 298.390 2.555 20 30 CFEDMO C=C(CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)c1ccccc1 ZINC000908208000 622204713 /nfs/dbraw/zinc/20/47/13/622204713.db2.gz WBHWHXAUKNXZSV-SJORKVTESA-N 1 1 284.403 2.833 20 30 CFEDMO CCc1ccc([C@H](C#N)NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000908212578 622204976 /nfs/dbraw/zinc/20/49/76/622204976.db2.gz VGCWPPZAYDVFQV-JKSUJKDBSA-N 1 1 299.418 2.803 20 30 CFEDMO CCc1ccc([C@H](C#N)NC(=O)[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000908212578 622204979 /nfs/dbraw/zinc/20/49/79/622204979.db2.gz VGCWPPZAYDVFQV-JKSUJKDBSA-N 1 1 299.418 2.803 20 30 CFEDMO C=C(C[NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccccc1 ZINC000924839931 622525750 /nfs/dbraw/zinc/52/57/50/622525750.db2.gz AQBSDCLAVFHNPQ-GXTWGEPZSA-N 1 1 254.337 2.587 20 30 CFEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)C3CCC3)CCC[C@@H]12 ZINC000991363065 622606083 /nfs/dbraw/zinc/60/60/83/622606083.db2.gz VHFRSOOEVWJLAF-YXJHDRRASA-N 1 1 288.435 2.559 20 30 CFEDMO C=CCC[C@@H]1CCCN1C(=O)NCC[N@H+](CC)C1CC1 ZINC000912476563 622724763 /nfs/dbraw/zinc/72/47/63/622724763.db2.gz QTAUGTXXIHNCPV-OAHLLOKOSA-N 1 1 279.428 2.611 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)[C@]1(C)CCC(C)=C(C)C1 ZINC000820687948 622737617 /nfs/dbraw/zinc/73/76/17/622737617.db2.gz FSPPJLWTCFNFCD-QGZVFWFLSA-N 1 1 276.424 2.584 20 30 CFEDMO C=C[C@H](CC)CC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000820874684 622779990 /nfs/dbraw/zinc/77/99/90/622779990.db2.gz RUIVXKDMHYZXSC-ZIAGYGMSSA-N 1 1 264.413 2.531 20 30 CFEDMO Cc1ccc(C(=O)/C=C/c2c[nH+]c(N(C)C)n2C)cc1 ZINC000821021517 622823779 /nfs/dbraw/zinc/82/37/79/622823779.db2.gz GVEKRGVAMUQJDG-MDZDMXLPSA-N 1 1 269.348 2.691 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CCCC#N ZINC000913098146 622836088 /nfs/dbraw/zinc/83/60/88/622836088.db2.gz ZCHHOBAVXTXOPG-NVXWUHKLSA-N 1 1 299.418 2.707 20 30 CFEDMO Cc1c(C#N)cccc1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000821091464 622844666 /nfs/dbraw/zinc/84/46/66/622844666.db2.gz DOHZUEBKDFVIKD-UHFFFAOYSA-N 1 1 282.347 2.825 20 30 CFEDMO CC/C=C/CCO[NH+]=C(N)Cc1ccc(OC)c(OC)c1 ZINC000184428242 625599339 /nfs/dbraw/zinc/59/93/39/625599339.db2.gz SXZZAZOUNCANTI-AATRIKPKSA-N 1 1 292.379 2.891 20 30 CFEDMO N#Cc1cc(F)cc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)c1 ZINC000913431052 622901514 /nfs/dbraw/zinc/90/15/14/622901514.db2.gz OZQSYKZTMJCZAH-LSDHHAIUSA-N 1 1 287.338 2.653 20 30 CFEDMO C[C@@H]1CCC[C@H](CCO[NH+]=C(N)C2CCOCC2)C1 ZINC000151370806 622903450 /nfs/dbraw/zinc/90/34/50/622903450.db2.gz HEKYOWRSNHTOEB-CHWSQXEVSA-N 1 1 268.401 2.918 20 30 CFEDMO CO[C@@H]1CC[C@@H]([N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000821369978 622906891 /nfs/dbraw/zinc/90/68/91/622906891.db2.gz ZBUQISDIOUFFOX-IAGOWNOFSA-N 1 1 299.418 2.638 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3(F)CCCC3)CCC[C@@H]12 ZINC000991498859 622945769 /nfs/dbraw/zinc/94/57/69/622945769.db2.gz CEUVKHHZEKEMSW-CJNGLKHVSA-N 1 1 280.387 2.568 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3(F)CCCC3)CCC[C@@H]12 ZINC000991502437 622948975 /nfs/dbraw/zinc/94/89/75/622948975.db2.gz KRHSHAVVJVBDPK-PBHICJAKSA-N 1 1 294.414 2.958 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+](C)C[C@@H]2CCCO2)c1O ZINC000164355751 622950235 /nfs/dbraw/zinc/95/02/35/622950235.db2.gz HSMRDTAASOUDNW-HNNXBMFYSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+](C)C[C@@H]2CCOC2)c1O ZINC000164460423 622956596 /nfs/dbraw/zinc/95/65/96/622956596.db2.gz JAUUGLQNIQCQML-ZDUSSCGKSA-N 1 1 291.391 2.598 20 30 CFEDMO C#CCOc1ccc([C@@H](C)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000166239988 623006028 /nfs/dbraw/zinc/00/60/28/623006028.db2.gz JWCSCGZYPFEJRB-RDTXWAMCSA-N 1 1 286.419 2.689 20 30 CFEDMO N#CC1CC[NH+](C[C@H](O)c2ccccc2C(F)(F)F)CC1 ZINC000057872834 623018244 /nfs/dbraw/zinc/01/82/44/623018244.db2.gz FXSQOIXWMRKTLO-AWEZNQCLSA-N 1 1 298.308 2.974 20 30 CFEDMO C=C[C@H](CC)CC(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000822088788 623032437 /nfs/dbraw/zinc/03/24/37/623032437.db2.gz GCECCTIKDVOCTI-GDBMZVCRSA-N 1 1 272.392 2.762 20 30 CFEDMO C=CCN(C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)C ZINC000822526917 623121896 /nfs/dbraw/zinc/12/18/96/623121896.db2.gz XDMWGCTUDIGRCA-OAHLLOKOSA-N 1 1 293.455 2.999 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)/C=C/c1ccccc1C#N ZINC000060524389 623136741 /nfs/dbraw/zinc/13/67/41/623136741.db2.gz ABKRYDMHFJIQCN-BOLDSZDNSA-N 1 1 297.402 2.562 20 30 CFEDMO COc1cc(-c2noc([C@@H]([NH3+])CCCC#N)n2)ccc1C ZINC000822728894 623161107 /nfs/dbraw/zinc/16/11/07/623161107.db2.gz PGQQASBEBRROPZ-LBPRGKRZSA-N 1 1 286.335 2.747 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc([C@@H]2CCc3ccccc32)no1 ZINC000822803783 623177626 /nfs/dbraw/zinc/17/76/26/623177626.db2.gz RSKIBRMKPRTANL-KGLIPLIRSA-N 1 1 282.347 2.841 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C)c(C)n3)CCC[C@@H]12 ZINC000991862198 623189131 /nfs/dbraw/zinc/18/91/31/623189131.db2.gz QCICWVUQBDVNRE-AEFFLSMTSA-N 1 1 299.418 2.611 20 30 CFEDMO Cc1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)c(F)c1 ZINC000823006241 623218099 /nfs/dbraw/zinc/21/80/99/623218099.db2.gz DLUCXGMXXKHYLG-LBPRGKRZSA-N 1 1 274.299 2.878 20 30 CFEDMO CCc1cnc(C[NH2+]Cc2ccc(OCC#N)cc2)s1 ZINC000230142703 623254788 /nfs/dbraw/zinc/25/47/88/623254788.db2.gz PKOPKEKBCPILRK-UHFFFAOYSA-N 1 1 287.388 2.898 20 30 CFEDMO CSc1ccc(-c2noc([C@H]([NH3+])CCCC#N)n2)nc1 ZINC000823287126 623284505 /nfs/dbraw/zinc/28/45/05/623284505.db2.gz JSBMYVZMKZAHDQ-SNVBAGLBSA-N 1 1 289.364 2.547 20 30 CFEDMO CC[N@@H+](Cn1c(C)nnc1-c1cccc(C#N)c1)C1CC1 ZINC000172607202 623294611 /nfs/dbraw/zinc/29/46/11/623294611.db2.gz XXSDGRVFXKZNID-UHFFFAOYSA-N 1 1 281.363 2.567 20 30 CFEDMO C[C@H](CC#N)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000063086391 623318347 /nfs/dbraw/zinc/31/83/47/623318347.db2.gz ZSMQWJHBMZMOCB-CYBMUJFWSA-N 1 1 257.337 2.561 20 30 CFEDMO C[C@H](CC#N)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000063086391 623318355 /nfs/dbraw/zinc/31/83/55/623318355.db2.gz ZSMQWJHBMZMOCB-CYBMUJFWSA-N 1 1 257.337 2.561 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CCCC#N)[C@@H]1CNC(=O)OC(C)(C)C ZINC000081518341 625639556 /nfs/dbraw/zinc/63/95/56/625639556.db2.gz MVLXZMAZIBULCC-ZIAGYGMSSA-N 1 1 295.427 2.915 20 30 CFEDMO C[C@H]1CCCC[C@H]1NC(=O)CO[NH+]=C(N)C1CCCCC1 ZINC000063458849 623352410 /nfs/dbraw/zinc/35/24/10/623352410.db2.gz DXJJCKUUTUVUAL-GXTWGEPZSA-N 1 1 295.427 2.550 20 30 CFEDMO C[N@@H+](CC#Cc1ccccc1)C[C@](C)(O)c1ccccc1 ZINC000823604399 623357941 /nfs/dbraw/zinc/35/79/41/623357941.db2.gz CKUMRABADAXKHG-IBGZPJMESA-N 1 1 279.383 2.878 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCC1OCCCO1 ZINC000823618784 623363215 /nfs/dbraw/zinc/36/32/15/623363215.db2.gz VDYGZVMDYVTEJE-CYBMUJFWSA-N 1 1 274.364 2.704 20 30 CFEDMO C=CCN(C(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC000173920782 623373745 /nfs/dbraw/zinc/37/37/45/623373745.db2.gz PLZBUTIGQRMXIR-UHFFFAOYSA-N 1 1 258.365 2.690 20 30 CFEDMO C=CCCC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000173915829 623375683 /nfs/dbraw/zinc/37/56/83/623375683.db2.gz BUISNNLIWZJZHD-ZDUSSCGKSA-N 1 1 268.401 2.894 20 30 CFEDMO CC[N@H+](Cc1cnn(C)c1)CC1CCC(C#N)CC1 ZINC000929465174 623441636 /nfs/dbraw/zinc/44/16/36/623441636.db2.gz UFGYGLLOLAVNAJ-UHFFFAOYSA-N 1 1 260.385 2.572 20 30 CFEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@H]2[N@@H+](C(C)C)CC3)cc1 ZINC000992097770 623454750 /nfs/dbraw/zinc/45/47/50/623454750.db2.gz DNKQCEZMQAXAHT-MJGOQNOKSA-N 1 1 296.414 2.803 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)CCC[C@H]12 ZINC000992117046 623458674 /nfs/dbraw/zinc/45/86/74/623458674.db2.gz IKFPNCNPZBALPQ-VNIVASGNSA-N 1 1 288.435 2.722 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C)CCC[C@H]12 ZINC000992118098 623459955 /nfs/dbraw/zinc/45/99/55/623459955.db2.gz JPPAXMAJFDMLHE-PNBKFKSVSA-N 1 1 276.424 2.722 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C)CCC[C@@H]12 ZINC000992118097 623460130 /nfs/dbraw/zinc/46/01/30/623460130.db2.gz JPPAXMAJFDMLHE-KCYZZUKISA-N 1 1 276.424 2.722 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cocc3C)CCC[C@H]12 ZINC000992133779 623464562 /nfs/dbraw/zinc/46/45/62/623464562.db2.gz RJTQGGSANMPSTG-GOEBONIOSA-N 1 1 274.364 2.501 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)CCC[C@H]12 ZINC000992134048 623464743 /nfs/dbraw/zinc/46/47/43/623464743.db2.gz XDWIBQLMIABBGV-VNIVASGNSA-N 1 1 288.435 2.722 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc2cc(Cl)cnc2o1)[C@H]1CCCO1 ZINC000824196711 623467328 /nfs/dbraw/zinc/46/73/28/623467328.db2.gz WFGFOMHPEFDZMT-UONOGXRCSA-N 1 1 290.750 2.752 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3CC4(CC4)C3)CCC[C@@H]12 ZINC000992179629 623477787 /nfs/dbraw/zinc/47/77/87/623477787.db2.gz PWVDDBWZIDEROJ-CRAIPNDOSA-N 1 1 288.435 2.866 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824296716 623485941 /nfs/dbraw/zinc/48/59/41/623485941.db2.gz JIJXYVZFIAUKLE-RRFJBIMHSA-N 1 1 294.439 2.976 20 30 CFEDMO C#Cc1ccc(CN2CC[N@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000824445515 623507121 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ZNASTIANLOVULQ-TZMCWYRMSA-N 1 1 277.389 2.698 20 30 CFEDMO C#CC[C@H]1CCC[N@H+]([C@@H]2CCCN(CC(C)(C)C)C2=O)C1 ZINC000829810923 624551196 /nfs/dbraw/zinc/55/11/96/624551196.db2.gz WKISPYYDBNRELT-JKSUJKDBSA-N 1 1 290.451 2.759 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](CCCc2cc(CC)no2)C1 ZINC000829815237 624554116 /nfs/dbraw/zinc/55/41/16/624554116.db2.gz HRFKJXSRRLRPDX-AWEZNQCLSA-N 1 1 260.381 2.905 20 30 CFEDMO COc1ccc2c(c1)C[C@H](C[N@H+](C[C@H](C)C#N)C1CC1)O2 ZINC000930087857 624590834 /nfs/dbraw/zinc/59/08/34/624590834.db2.gz OESJTHRCHGUFFK-MLGOLLRUSA-N 1 1 286.375 2.623 20 30 CFEDMO COc1ccc2c(c1)C[C@H](C[N@@H+](C[C@H](C)C#N)C1CC1)O2 ZINC000930087857 624590837 /nfs/dbraw/zinc/59/08/37/624590837.db2.gz OESJTHRCHGUFFK-MLGOLLRUSA-N 1 1 286.375 2.623 20 30 CFEDMO C#CC[N@H+](CC)C[C@H](O)COc1ccc2ccccc2c1 ZINC000920094305 624674499 /nfs/dbraw/zinc/67/44/99/624674499.db2.gz CYTJZFFGRPXGAY-KRWDZBQOSA-N 1 1 283.371 2.535 20 30 CFEDMO C#CC[N@H+](CC)C[C@H](O)COc1cccc2ccccc21 ZINC000920094888 624674523 /nfs/dbraw/zinc/67/45/23/624674523.db2.gz JNUOMWXUVXKOOC-INIZCTEOSA-N 1 1 283.371 2.535 20 30 CFEDMO C#CC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000830321727 624707990 /nfs/dbraw/zinc/70/79/90/624707990.db2.gz YVTXVOZKBVSCMQ-UHFFFAOYSA-N 1 1 262.284 2.579 20 30 CFEDMO C#CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000830330204 624711524 /nfs/dbraw/zinc/71/15/24/624711524.db2.gz UGYPSUPLGQJLET-UHFFFAOYSA-N 1 1 285.303 2.581 20 30 CFEDMO CC(CCc1cccc(C)c1)=NN1CC[NH+](C)CC1 ZINC000920355441 624714027 /nfs/dbraw/zinc/71/40/27/624714027.db2.gz BSIIRGWFVSDDMR-UHFFFAOYSA-N 1 1 259.397 2.551 20 30 CFEDMO C#CC1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000830345758 624716358 /nfs/dbraw/zinc/71/63/58/624716358.db2.gz RNJAVLLJLNJPSS-UHFFFAOYSA-N 1 1 283.350 2.857 20 30 CFEDMO C#CC1CC[NH+](Cc2ccnc(Br)c2)CC1 ZINC000830351033 624718425 /nfs/dbraw/zinc/71/84/25/624718425.db2.gz MKKYAONVVCDJDF-UHFFFAOYSA-N 1 1 279.181 2.689 20 30 CFEDMO C#CCC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000920415676 624719912 /nfs/dbraw/zinc/71/99/12/624719912.db2.gz AJPVYTVKETVMBL-UHFFFAOYSA-N 1 1 269.348 2.569 20 30 CFEDMO C#CCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000920415676 624719919 /nfs/dbraw/zinc/71/99/19/624719919.db2.gz AJPVYTVKETVMBL-UHFFFAOYSA-N 1 1 269.348 2.569 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H]1c1cc(OC)ccc1OC ZINC000920416227 624720843 /nfs/dbraw/zinc/72/08/43/624720843.db2.gz XPSJKDQWJAHHED-HNNXBMFYSA-N 1 1 259.349 2.864 20 30 CFEDMO C#CCC[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000920417392 624720871 /nfs/dbraw/zinc/72/08/71/624720871.db2.gz DZZMAJQMRHYJSS-UHFFFAOYSA-N 1 1 269.291 2.752 20 30 CFEDMO CCCCCCC[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000121391750 624773021 /nfs/dbraw/zinc/77/30/21/624773021.db2.gz WKUKFWRIIAWGNS-UHFFFAOYSA-N 1 1 277.416 2.698 20 30 CFEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000830746408 624837182 /nfs/dbraw/zinc/83/71/82/624837182.db2.gz XKRPHJQLCWYTPR-WBVHZDCISA-N 1 1 294.398 2.518 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC(CC2)C3(C)C)C1 ZINC001015814391 624873472 /nfs/dbraw/zinc/87/34/72/624873472.db2.gz HCIDXDHCFFPZFT-SWKXRBFHSA-N 1 1 290.451 2.969 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCCNCc1csc(C#N)c1 ZINC000921496673 624947864 /nfs/dbraw/zinc/94/78/64/624947864.db2.gz YGFXNLYTDVYQGX-CYBMUJFWSA-N 1 1 277.437 2.974 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000068857807 625030701 /nfs/dbraw/zinc/03/07/01/625030701.db2.gz ROFSXGKOKDJYLH-HNNXBMFYSA-N 1 1 259.349 2.770 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000068857807 625030707 /nfs/dbraw/zinc/03/07/07/625030707.db2.gz ROFSXGKOKDJYLH-HNNXBMFYSA-N 1 1 259.349 2.770 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000832237144 625249891 /nfs/dbraw/zinc/24/98/91/625249891.db2.gz ODAKTYMEFUHMCT-JSGCOSHPSA-N 1 1 260.337 2.735 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CC2(CCC2)[C@@H]1c1ccco1 ZINC000832237144 625249898 /nfs/dbraw/zinc/24/98/98/625249898.db2.gz ODAKTYMEFUHMCT-JSGCOSHPSA-N 1 1 260.337 2.735 20 30 CFEDMO CSCCO[NH+]=C(N)CCCc1ccccc1 ZINC000185787918 625778054 /nfs/dbraw/zinc/77/80/54/625778054.db2.gz WHBLBXLQBOGJPK-UHFFFAOYSA-N 1 1 252.383 2.661 20 30 CFEDMO Cc1cc(C#N)ccc1CO[NH+]=C(N)C1CCCC1 ZINC000185991674 625810575 /nfs/dbraw/zinc/81/05/75/625810575.db2.gz RKEXDCMCKHMOKP-UHFFFAOYSA-N 1 1 257.337 2.846 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2C[C@@H](C)OC[C@@H]2CC)cc1 ZINC000768174249 625873316 /nfs/dbraw/zinc/87/33/16/625873316.db2.gz XIAGOVCTDSPWME-ZBFHGGJFSA-N 1 1 273.376 2.698 20 30 CFEDMO C=C(CC)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000834902567 625916091 /nfs/dbraw/zinc/91/60/91/625916091.db2.gz JOOPRHNSMJGMDB-LLVKDONJSA-N 1 1 263.337 2.796 20 30 CFEDMO C[C@@H](N[NH+]=C1CCCc2cc(N)ccc21)C(F)(F)F ZINC000834998334 625948331 /nfs/dbraw/zinc/94/83/31/625948331.db2.gz FUJAGTMSBPFSIP-MRVPVSSYSA-N 1 1 271.286 2.850 20 30 CFEDMO C[C@@H](N[NH+]=C1CCCc2ccc(N)cc21)C(F)(F)F ZINC000834999444 625948707 /nfs/dbraw/zinc/94/87/07/625948707.db2.gz UUJFZRGETDSAGR-MRVPVSSYSA-N 1 1 271.286 2.850 20 30 CFEDMO C[C@H]1C(N=Nc2ccncn2)CC[N@H+]1Cc1ccccc1 ZINC000835000256 625949652 /nfs/dbraw/zinc/94/96/52/625949652.db2.gz CDWXTTIMLVBQSB-ZDUSSCGKSA-N 1 1 281.363 2.539 20 30 CFEDMO C[C@@H](N[NH+]=Cc1ccc(N2CCCC2)nc1)C(F)(F)F ZINC000835000111 625950253 /nfs/dbraw/zinc/95/02/53/625950253.db2.gz IXHKHLGGFBTVMN-SNVBAGLBSA-N 1 1 286.301 2.556 20 30 CFEDMO C[C@@H](CNCc1csc(C#N)c1)[N@H+]1CCCC[C@@H]1C ZINC000921530983 625979040 /nfs/dbraw/zinc/97/90/40/625979040.db2.gz NRVQYGFLMJYGGU-STQMWFEESA-N 1 1 277.437 2.972 20 30 CFEDMO C[C@@H](C[NH2+]Cc1csc(C#N)c1)N1CCCC[C@@H]1C ZINC000921530983 625979042 /nfs/dbraw/zinc/97/90/42/625979042.db2.gz NRVQYGFLMJYGGU-STQMWFEESA-N 1 1 277.437 2.972 20 30 CFEDMO C=C(Cl)C[NH+]1CCC([C@H](C)NC(=O)C2CC=CC2)CC1 ZINC000997519620 626001878 /nfs/dbraw/zinc/00/18/78/626001878.db2.gz RAAORLYQAWPECF-ZDUSSCGKSA-N 1 1 296.842 2.922 20 30 CFEDMO CCCC[N@@H+](C)CCNC(=O)Nc1cc(C#N)ccc1F ZINC000888359749 626003492 /nfs/dbraw/zinc/00/34/92/626003492.db2.gz NKOLRBYIIBPLAY-UHFFFAOYSA-N 1 1 292.358 2.551 20 30 CFEDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(C#N)ccc1F ZINC000888368955 626006652 /nfs/dbraw/zinc/00/66/52/626006652.db2.gz GQBUYGLVGMTWOJ-NSHDSACASA-N 1 1 292.358 2.548 20 30 CFEDMO CCN(C(C)=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000997899634 626018870 /nfs/dbraw/zinc/01/88/70/626018870.db2.gz NYGCTAHURUFTPO-SFHVURJKSA-N 1 1 299.418 2.781 20 30 CFEDMO CCN(C(C)=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000997899627 626018893 /nfs/dbraw/zinc/01/88/93/626018893.db2.gz NYGCTAHURUFTPO-GOSISDBHSA-N 1 1 299.418 2.781 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC=CCC2)CC1 ZINC000997916847 626021177 /nfs/dbraw/zinc/02/11/77/626021177.db2.gz VANJGPGEHGLJJC-DLBZAZTESA-N 1 1 288.435 2.679 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cccc(C)c2)CC1 ZINC000997931343 626023323 /nfs/dbraw/zinc/02/33/23/626023323.db2.gz YQMRTSVQJFGRKU-GOSISDBHSA-N 1 1 298.430 2.945 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC2(C)C)CC1 ZINC000997983878 626025615 /nfs/dbraw/zinc/02/56/15/626025615.db2.gz VWHKCXCRVKRWMX-HZPDHXFCSA-N 1 1 290.451 2.759 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000998087657 626030763 /nfs/dbraw/zinc/03/07/63/626030763.db2.gz HIZLKBFNLKGUAW-HZMVEIRTSA-N 1 1 290.451 2.922 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000998087145 626030775 /nfs/dbraw/zinc/03/07/75/626030775.db2.gz FNYNCDYKAUAVOZ-XHSDSOJGSA-N 1 1 278.440 2.922 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC23CC3)CC1 ZINC000998145046 626033871 /nfs/dbraw/zinc/03/38/71/626033871.db2.gz VZOHGAYHYIRBMZ-LSDHHAIUSA-N 1 1 276.424 2.676 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(C2(NC(=O)[C@H]3C[C@@H]3C)CC2)CC1 ZINC001000067273 626087214 /nfs/dbraw/zinc/08/72/14/626087214.db2.gz SRJFFVGZKGGHII-FZMZJTMJSA-N 1 1 296.842 2.756 20 30 CFEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2ccccc2)CC1 ZINC001000379093 626114051 /nfs/dbraw/zinc/11/40/51/626114051.db2.gz DUYQGEZLKSJJTD-UHFFFAOYSA-N 1 1 270.376 2.625 20 30 CFEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)c2ccoc2)CC1 ZINC001000442642 626119509 /nfs/dbraw/zinc/11/95/09/626119509.db2.gz YYGVMQXQYNWMLY-UHFFFAOYSA-N 1 1 274.364 2.608 20 30 CFEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)C2=CCCC2)CC1 ZINC001000582803 626126616 /nfs/dbraw/zinc/12/66/16/626126616.db2.gz LIUVBPHFIIBSTQ-UHFFFAOYSA-N 1 1 274.408 2.811 20 30 CFEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2ccsc2C)CC1 ZINC001000660794 626128691 /nfs/dbraw/zinc/12/86/91/626128691.db2.gz QBGXXJVXBNPNJI-UHFFFAOYSA-N 1 1 276.405 2.604 20 30 CFEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCC23CC3)CC1 ZINC001000835412 626132715 /nfs/dbraw/zinc/13/27/15/626132715.db2.gz AXTWYQVOZHMTRU-MRXNPFEDSA-N 1 1 288.435 2.891 20 30 CFEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001001099642 626143537 /nfs/dbraw/zinc/14/35/37/626143537.db2.gz KTACCHGMTFXVDY-ZBFHGGJFSA-N 1 1 276.424 2.747 20 30 CFEDMO Cc1nc2n(n1)CCC[C@H]2[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921821670 626145462 /nfs/dbraw/zinc/14/54/62/626145462.db2.gz QPZHOSLBNDTECL-MRXNPFEDSA-N 1 1 295.390 2.700 20 30 CFEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H](C)C2)CC1 ZINC001001111515 626145672 /nfs/dbraw/zinc/14/56/72/626145672.db2.gz QPLIKNLZLWDAPF-RDJZCZTQSA-N 1 1 288.435 2.584 20 30 CFEDMO CC#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001001116998 626146064 /nfs/dbraw/zinc/14/60/64/626146064.db2.gz QWGBBKISODELBS-SJORKVTESA-N 1 1 288.435 2.584 20 30 CFEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2occc2CC)CC1 ZINC001001120874 626146230 /nfs/dbraw/zinc/14/62/30/626146230.db2.gz LKDKNRGFNLFPBV-UHFFFAOYSA-N 1 1 288.391 2.780 20 30 CFEDMO C=CC[N@@H+]1CC=C(CNC(=O)c2c(C)cccc2C)CC1 ZINC001001195054 626148582 /nfs/dbraw/zinc/14/85/82/626148582.db2.gz GOVSCZIEIWFVDD-UHFFFAOYSA-N 1 1 284.403 2.851 20 30 CFEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001001234040 626152214 /nfs/dbraw/zinc/15/22/14/626152214.db2.gz ZMDQTMMYWIKEMH-ZBFHGGJFSA-N 1 1 276.424 2.747 20 30 CFEDMO C=CCC[N@@H+]1CC=C(CNC(=O)[C@H]2CC23CCCC3)CC1 ZINC001001343780 626155573 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C#C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000775792989 628069144 /nfs/dbraw/zinc/06/91/44/628069144.db2.gz BZIDSCLNOXLCKN-GXTWGEPZSA-N 1 1 294.738 2.519 20 30 CFEDMO CC[N@H+](C[C@H](O)c1ccc(C)cc1)CC1(C#N)CC1 ZINC000775973996 628088806 /nfs/dbraw/zinc/08/88/06/628088806.db2.gz XGYUXVGUDXESNV-HNNXBMFYSA-N 1 1 258.365 2.654 20 30 CFEDMO CC[N@@H+](C[C@H](O)c1ccc(C)cc1)CC1(C#N)CC1 ZINC000775973996 628088808 /nfs/dbraw/zinc/08/88/08/628088808.db2.gz XGYUXVGUDXESNV-HNNXBMFYSA-N 1 1 258.365 2.654 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000775984928 628090787 /nfs/dbraw/zinc/09/07/87/628090787.db2.gz IGXILEMAPYTXEK-RBSFLKMASA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000775984928 628090791 /nfs/dbraw/zinc/09/07/91/628090791.db2.gz IGXILEMAPYTXEK-RBSFLKMASA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000775984928 628090796 /nfs/dbraw/zinc/09/07/96/628090796.db2.gz IGXILEMAPYTXEK-RBSFLKMASA-N 1 1 287.407 2.502 20 30 CFEDMO C#CCCOc1ccc(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000775985115 628091450 /nfs/dbraw/zinc/09/14/50/628091450.db2.gz JUFVOULOTUSWKF-HOTGVXAUSA-N 1 1 286.419 2.613 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)cc1 ZINC000775985115 628091452 /nfs/dbraw/zinc/09/14/52/628091452.db2.gz JUFVOULOTUSWKF-HOTGVXAUSA-N 1 1 286.419 2.613 20 30 CFEDMO C#CCCOc1ccc(C[N@H+]2CCN(C)[C@@H](C)[C@@H]2C)cc1 ZINC000775985115 628091454 /nfs/dbraw/zinc/09/14/54/628091454.db2.gz JUFVOULOTUSWKF-HOTGVXAUSA-N 1 1 286.419 2.613 20 30 CFEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000776006230 628092963 /nfs/dbraw/zinc/09/29/63/628092963.db2.gz HABWJEATELTVBE-CYBMUJFWSA-N 1 1 283.375 2.768 20 30 CFEDMO C[C@H](NCC[N@@H+]1CCC[C@H]1C)c1cccc(C#N)c1 ZINC000776164174 628109791 /nfs/dbraw/zinc/10/97/91/628109791.db2.gz XRNOQJQGYOJCHH-KGLIPLIRSA-N 1 1 257.381 2.693 20 30 CFEDMO C[C@H](NCC[N@H+]1CCC[C@H]1C)c1cccc(C#N)c1 ZINC000776164174 628109792 /nfs/dbraw/zinc/10/97/92/628109792.db2.gz XRNOQJQGYOJCHH-KGLIPLIRSA-N 1 1 257.381 2.693 20 30 CFEDMO Cc1cccc(N[NH+]=Cc2cnccc2N(C)C)c1 ZINC000776183844 628113044 /nfs/dbraw/zinc/11/30/44/628113044.db2.gz QLBYDOFQNZIZGB-UHFFFAOYSA-N 1 1 254.337 2.902 20 30 CFEDMO C=CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776605524 628164031 /nfs/dbraw/zinc/16/40/31/628164031.db2.gz DRRVPXIXOZKETP-VXGBXAGGSA-N 1 1 254.374 2.502 20 30 CFEDMO C=CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776605524 628164032 /nfs/dbraw/zinc/16/40/32/628164032.db2.gz DRRVPXIXOZKETP-VXGBXAGGSA-N 1 1 254.374 2.502 20 30 CFEDMO C=C(C)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000776606997 628165256 /nfs/dbraw/zinc/16/52/56/628165256.db2.gz QJGCDIKEVKYNQJ-OLZOCXBDSA-N 1 1 268.401 2.892 20 30 CFEDMO C[C@H](NCC[N@@H+]1CCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000776741101 628173429 /nfs/dbraw/zinc/17/34/29/628173429.db2.gz QETKYQUVCKIVIY-OLZOCXBDSA-N 1 1 275.371 2.832 20 30 CFEDMO C[C@H](NCC[N@H+]1CCC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000776741101 628173432 /nfs/dbraw/zinc/17/34/32/628173432.db2.gz QETKYQUVCKIVIY-OLZOCXBDSA-N 1 1 275.371 2.832 20 30 CFEDMO C[NH+]1CCN(N=C2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000776758632 628176129 /nfs/dbraw/zinc/17/61/29/628176129.db2.gz TZGCLGAOXJINEF-UHFFFAOYSA-N 1 1 287.382 2.996 20 30 CFEDMO CC(C)[C@H]1CC(=[NH+]n2cc(Br)cn2)CCO1 ZINC000776775236 628177519 /nfs/dbraw/zinc/17/75/19/628177519.db2.gz CVWBSKBGHIKIPM-LLVKDONJSA-N 1 1 286.173 2.685 20 30 CFEDMO C#CCOc1cc(F)ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000777119357 628201311 /nfs/dbraw/zinc/20/13/11/628201311.db2.gz MORJELRFGOTCJG-GJZGRUSLSA-N 1 1 288.366 2.876 20 30 CFEDMO C#CCOCC[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000852053681 634637177 /nfs/dbraw/zinc/63/71/77/634637177.db2.gz DMLKZUAFJCUSIC-TXEJJXNPSA-N 1 1 263.303 2.689 20 30 CFEDMO C#CCOCC[N@H+](C)[C@@H](CC)c1ccccc1OC ZINC000852053110 634637509 /nfs/dbraw/zinc/63/75/09/634637509.db2.gz ZRBKRPTUBAFARW-HNNXBMFYSA-N 1 1 261.365 2.728 20 30 CFEDMO COC[C@H](C)NN=C1CCCC[C@@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000777902675 628263503 /nfs/dbraw/zinc/26/35/03/628263503.db2.gz LHXIVHSBTKPCCS-IVSAIRAKSA-N 1 1 295.471 2.887 20 30 CFEDMO N#CCCC[C@@H]([NH2+]Cc1cnon1)c1ccccc1 ZINC000852084578 634647308 /nfs/dbraw/zinc/64/73/08/634647308.db2.gz WSIGIOXZPXBCEG-CQSZACIVSA-N 1 1 256.309 2.594 20 30 CFEDMO Cc1ccc2[nH]c3c(c2c1)CC(=NN1CC[NH+](C)CC1)CC3 ZINC000778534602 628313302 /nfs/dbraw/zinc/31/33/02/628313302.db2.gz VLOXLWHPGLWWHY-UHFFFAOYSA-N 1 1 296.418 2.568 20 30 CFEDMO CC(C)OCCNN=C1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000778548309 628314890 /nfs/dbraw/zinc/31/48/90/628314890.db2.gz UIRPVCRVYMGRBL-OAHLLOKOSA-N 1 1 289.423 2.651 20 30 CFEDMO CC(C)OCCNN=C1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000778548309 628314894 /nfs/dbraw/zinc/31/48/94/628314894.db2.gz UIRPVCRVYMGRBL-OAHLLOKOSA-N 1 1 289.423 2.651 20 30 CFEDMO CC(C)(C(=O)OCc1cc(F)ccc1C#N)[NH+]1CCCC1 ZINC000805616009 628331170 /nfs/dbraw/zinc/33/11/70/628331170.db2.gz OCOWLSJCAVSMSO-UHFFFAOYSA-N 1 1 290.338 2.615 20 30 CFEDMO C=CC[C@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000778932615 628340395 /nfs/dbraw/zinc/34/03/95/628340395.db2.gz HHMVZVNJNJOFHI-ZBFHGGJFSA-N 1 1 272.392 2.509 20 30 CFEDMO C=CC[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000778932615 628340396 /nfs/dbraw/zinc/34/03/96/628340396.db2.gz HHMVZVNJNJOFHI-ZBFHGGJFSA-N 1 1 272.392 2.509 20 30 CFEDMO C#CCOCC[N@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@@H]1C ZINC000852096419 634650431 /nfs/dbraw/zinc/65/04/31/634650431.db2.gz BKDAMAJZJBHDHK-HLLBOEOZSA-N 1 1 257.377 2.903 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](CCO)CC1CC1 ZINC000779154195 628356255 /nfs/dbraw/zinc/35/62/55/628356255.db2.gz IFHCATHFVBDDOH-UHFFFAOYSA-N 1 1 293.794 2.556 20 30 CFEDMO CC(C)[C@@H]1C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000779150441 628356443 /nfs/dbraw/zinc/35/64/43/628356443.db2.gz MUPDCLXBBOWRRE-YOEHRIQHSA-N 1 1 288.391 2.834 20 30 CFEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000779150441 628356445 /nfs/dbraw/zinc/35/64/45/628356445.db2.gz MUPDCLXBBOWRRE-YOEHRIQHSA-N 1 1 288.391 2.834 20 30 CFEDMO C#C[C@](C)(CC)[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000852101825 634656952 /nfs/dbraw/zinc/65/69/52/634656952.db2.gz UQEPDFNUJMTGHU-LLVKDONJSA-N 1 1 293.720 2.984 20 30 CFEDMO CCCCCCCON=C(N)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779651017 628391909 /nfs/dbraw/zinc/39/19/09/628391909.db2.gz ODIFMOTYTKKXSL-AWEZNQCLSA-N 1 1 285.432 2.564 20 30 CFEDMO CCCCCCCON=C(N)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779651017 628391912 /nfs/dbraw/zinc/39/19/12/628391912.db2.gz ODIFMOTYTKKXSL-AWEZNQCLSA-N 1 1 285.432 2.564 20 30 CFEDMO CCCNN=C(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779772348 628401765 /nfs/dbraw/zinc/40/17/65/628401765.db2.gz HEXRYBGVGSTOBO-INIZCTEOSA-N 1 1 259.397 2.884 20 30 CFEDMO COC[C@H](C)NN=C(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779781508 628402880 /nfs/dbraw/zinc/40/28/80/628402880.db2.gz BJIBVUDZIQKVKQ-YOEHRIQHSA-N 1 1 289.423 2.509 20 30 CFEDMO CC(=NN[C@H](C)CC#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779782909 628403168 /nfs/dbraw/zinc/40/31/68/628403168.db2.gz JQTHUUPDKRYFPF-RHSMWYFYSA-N 1 1 284.407 2.776 20 30 CFEDMO Cc1ccc(-c2cccc(C=NNC3=[NH+]C[C@@H](C)N3)c2)cc1 ZINC000779797323 628407811 /nfs/dbraw/zinc/40/78/11/628407811.db2.gz FMTOBCTYFLEYOZ-CQSZACIVSA-N 1 1 292.386 2.933 20 30 CFEDMO COc1cc(C=NNc2cc[nH+]cc2)ccc1SC ZINC000779809002 628408713 /nfs/dbraw/zinc/40/87/13/628408713.db2.gz QYDXJUAZWDOQEB-UHFFFAOYSA-N 1 1 273.361 2.680 20 30 CFEDMO COc1cccc(N=NC2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000779816103 628410215 /nfs/dbraw/zinc/41/02/15/628410215.db2.gz AVFFYKYXRZDETH-UHFFFAOYSA-N 1 1 296.374 2.764 20 30 CFEDMO CC1(C#N)CC[NH+](Cn2nccc2-c2ccncc2)CC1 ZINC000779878274 628416051 /nfs/dbraw/zinc/41/60/51/628416051.db2.gz DRKPHKKIFSRARD-UHFFFAOYSA-N 1 1 281.363 2.528 20 30 CFEDMO C#C[C@](C)(CC)[NH2+]Cc1nc(C)c2ccccc2n1 ZINC000852099714 634653968 /nfs/dbraw/zinc/65/39/68/634653968.db2.gz AGWYYEJVJCSZTH-MRXNPFEDSA-N 1 1 253.349 2.830 20 30 CFEDMO C[NH+]1CCN(N=C2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000780186447 628437620 /nfs/dbraw/zinc/43/76/20/628437620.db2.gz IUFAUOWNRJKQJK-QGZVFWFLSA-N 1 1 271.408 2.732 20 30 CFEDMO COCC[N@H+](CCC#N)C[C@H]1CCc2ccccc21 ZINC000780293460 628451817 /nfs/dbraw/zinc/45/18/17/628451817.db2.gz WCJWECHSXZFAKY-OAHLLOKOSA-N 1 1 258.365 2.578 20 30 CFEDMO COCC[N@@H+](CCC#N)C[C@H]1CCc2ccccc21 ZINC000780293460 628451819 /nfs/dbraw/zinc/45/18/19/628451819.db2.gz WCJWECHSXZFAKY-OAHLLOKOSA-N 1 1 258.365 2.578 20 30 CFEDMO C#C[C@](C)(CC)[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000852103131 634657720 /nfs/dbraw/zinc/65/77/20/634657720.db2.gz YDAQYNNZLXNCQJ-MRXNPFEDSA-N 1 1 271.339 2.903 20 30 CFEDMO C#CCCCCCC(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000780509448 628470301 /nfs/dbraw/zinc/47/03/01/628470301.db2.gz HQVVXYCHPZSAHC-MRXNPFEDSA-N 1 1 278.440 2.951 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2cnc(C3CC3)s2)nc1 ZINC000780555031 628475361 /nfs/dbraw/zinc/47/53/61/628475361.db2.gz MCAIEIUZRAURRB-UHFFFAOYSA-N 1 1 270.361 2.577 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2cc(Cl)cc3c2OCC3)nc1 ZINC000780555028 628475383 /nfs/dbraw/zinc/47/53/83/628475383.db2.gz LYPHZWZFWYIFDI-UHFFFAOYSA-N 1 1 299.761 2.831 20 30 CFEDMO Cc1cc(C[NH2+]Cc2ccc(C#N)cn2)cnc1Cl ZINC000780555257 628475623 /nfs/dbraw/zinc/47/56/23/628475623.db2.gz FJRVPLOGDVZMAB-UHFFFAOYSA-N 1 1 272.739 2.600 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2coc3ccccc23)nc1 ZINC000780555774 628476025 /nfs/dbraw/zinc/47/60/25/628476025.db2.gz RYVLPNLABHRHCY-UHFFFAOYSA-N 1 1 263.300 2.989 20 30 CFEDMO C#CCCCCCC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000780603120 628482002 /nfs/dbraw/zinc/48/20/02/628482002.db2.gz OSTWZXTWBWRFBH-KRWDZBQOSA-N 1 1 290.451 2.760 20 30 CFEDMO C[C@H](C#N)Oc1ccccc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000780745256 628492706 /nfs/dbraw/zinc/49/27/06/628492706.db2.gz PBBHASFZADPWJR-MGPQQGTHSA-N 1 1 273.380 2.872 20 30 CFEDMO C=CCCCC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000781175211 628529247 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ZINC000796513814 629928790 /nfs/dbraw/zinc/92/87/90/629928790.db2.gz CTANXFJYMBODBF-UHFFFAOYSA-N 1 1 266.291 2.510 20 30 CFEDMO C#CCOc1ccccc1CNC[C@@H]1CCC[N@@H+]1CCC ZINC000796521942 629929733 /nfs/dbraw/zinc/92/97/33/629929733.db2.gz IYWKTSURWMQWDA-KRWDZBQOSA-N 1 1 286.419 2.663 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]C[C@@H]1CCCN1CCC ZINC000796521942 629929734 /nfs/dbraw/zinc/92/97/34/629929734.db2.gz IYWKTSURWMQWDA-KRWDZBQOSA-N 1 1 286.419 2.663 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCC(F)(F)CC1 ZINC000796541314 629932389 /nfs/dbraw/zinc/93/23/89/629932389.db2.gz QCRBRGHMOUDJAM-GFCCVEGCSA-N 1 1 274.355 2.531 20 30 CFEDMO CCCCCCCC[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000796575820 629936894 /nfs/dbraw/zinc/93/68/94/629936894.db2.gz QQFFUTVOLNXCOB-HUUCEWRRSA-N 1 1 257.418 2.819 20 30 CFEDMO C#CCCC[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000796602572 629940023 /nfs/dbraw/zinc/94/00/23/629940023.db2.gz RJPRMFYLXYFRAW-UHFFFAOYSA-N 1 1 264.413 2.513 20 30 CFEDMO C#CC[N@H+](CCC(C)(C)C(=O)OC)Cc1ccccc1 ZINC000796632590 629943202 /nfs/dbraw/zinc/94/32/02/629943202.db2.gz MSNIWYHEDJLSNL-UHFFFAOYSA-N 1 1 273.376 2.711 20 30 CFEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ncc[nH]2)c1 ZINC000796820342 629972216 /nfs/dbraw/zinc/97/22/16/629972216.db2.gz ZPEHNDKTMZWAID-TZMCWYRMSA-N 1 1 284.363 2.941 20 30 CFEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ncc[nH]1 ZINC000796971858 629997516 /nfs/dbraw/zinc/99/75/16/629997516.db2.gz KRIFAIWTGCCOOI-HZMBPMFUSA-N 1 1 252.321 2.619 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H]1[C@H](C)[C@H]1c1ccccc1 ZINC000797554453 630078565 /nfs/dbraw/zinc/07/85/65/630078565.db2.gz VBYCQKUVTLKLNH-NRSFXHEJSA-N 1 1 297.398 2.677 20 30 CFEDMO CC(C)[C@H](C(=O)[C@H](C#N)c1nccc2ccccc21)[NH+](C)C ZINC000798859590 630247569 /nfs/dbraw/zinc/24/75/69/630247569.db2.gz GPYHDYJXIPPDCZ-NVXWUHKLSA-N 1 1 295.386 2.997 20 30 CFEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCc3cccnc32)nc1 ZINC000798932834 630263472 /nfs/dbraw/zinc/26/34/72/630263472.db2.gz NVAUWFXDQJCZMM-OAHLLOKOSA-N 1 1 264.332 2.515 20 30 CFEDMO COc1ccccc1CON=C1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000799117160 630277951 /nfs/dbraw/zinc/27/79/51/630277951.db2.gz JBUVLKIKILCYEI-GFCCVEGCSA-N 1 1 274.364 2.824 20 30 CFEDMO C[C@@H]([NH2+]Cc1cnc(Cl)cn1)c1cccc(C#N)c1 ZINC000799154709 630281189 /nfs/dbraw/zinc/28/11/89/630281189.db2.gz FPCISUMLTKIYIG-SNVBAGLBSA-N 1 1 272.739 2.852 20 30 CFEDMO CC(C)[C@H]1CCCC(=NNCCC[NH+]2CCOCC2)C1 ZINC000799488576 630314507 /nfs/dbraw/zinc/31/45/07/630314507.db2.gz UEQRLRNTKKENSM-HNNXBMFYSA-N 1 1 281.444 2.501 20 30 CFEDMO CC(=NNCCC[NH+]1CCOCC1)C1CCCCCC1 ZINC000799491651 630315111 /nfs/dbraw/zinc/31/51/11/630315111.db2.gz LBQPIPBYBIROSO-UHFFFAOYSA-N 1 1 281.444 2.645 20 30 CFEDMO CCc1cccc(C)c1N[NH2+]C1=CC(=O)N2CCC[C@H]12 ZINC000799493804 630315234 /nfs/dbraw/zinc/31/52/34/630315234.db2.gz PZWQBODZJRFHPC-CQSZACIVSA-N 1 1 271.364 2.720 20 30 CFEDMO Cc1ccc(C(=O)NCCn2cc[nH+]c2C(C)C)cc1C#N ZINC000799630886 630326303 /nfs/dbraw/zinc/32/63/03/630326303.db2.gz UOFIYNDVJDRWSV-UHFFFAOYSA-N 1 1 296.374 2.617 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000852686145 634807103 /nfs/dbraw/zinc/80/71/03/634807103.db2.gz OSIRYWGAQVCDIG-BBWFWOEESA-N 1 1 296.370 2.955 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000852686145 634807107 /nfs/dbraw/zinc/80/71/07/634807107.db2.gz OSIRYWGAQVCDIG-BBWFWOEESA-N 1 1 296.370 2.955 20 30 CFEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2cn(C)cn2)cc1 ZINC000800794762 630405253 /nfs/dbraw/zinc/40/52/53/630405253.db2.gz PKQAJMXRHHYPKM-VMPITWQZSA-N 1 1 292.342 2.810 20 30 CFEDMO C#CC[N@H+](Cc1ccc(OC)cc1OC)[C@H](C)C1CC1 ZINC000801588258 630460891 /nfs/dbraw/zinc/46/08/91/630460891.db2.gz JOTYAGFVQMPPRE-CYBMUJFWSA-N 1 1 273.376 2.938 20 30 CFEDMO Cc1nc(C)c([C@H](C)[N@H+](C)CCO[C@@H](C)C#N)s1 ZINC000801919005 630484425 /nfs/dbraw/zinc/48/44/25/630484425.db2.gz FPLRLGDMTJASGP-ONGXEEELSA-N 1 1 267.398 2.681 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000801910678 630485415 /nfs/dbraw/zinc/48/54/15/630485415.db2.gz PIOHWPZKHVNBTK-QWRGUYRKSA-N 1 1 268.307 2.886 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000801915880 630486623 /nfs/dbraw/zinc/48/66/23/630486623.db2.gz WXFCUADXVIRKAO-XGUBFFRZSA-N 1 1 250.386 2.816 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000801919277 630487351 /nfs/dbraw/zinc/48/73/51/630487351.db2.gz HBIQADJGXJYBOH-RDJZCZTQSA-N 1 1 272.392 2.870 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000801921841 630487762 /nfs/dbraw/zinc/48/77/62/630487762.db2.gz NQMSUWYCPXTKSJ-SQWLQELKSA-N 1 1 258.365 2.793 20 30 CFEDMO CC[N@@H+](CCO[C@H](C)C#N)[C@H](C)Cc1ccc(OC)cc1 ZINC000801919717 630487877 /nfs/dbraw/zinc/48/78/77/630487877.db2.gz IOZIXYIOFVUXKM-HUUCEWRRSA-N 1 1 290.407 2.877 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000801920149 630487884 /nfs/dbraw/zinc/48/78/84/630487884.db2.gz PZWSWAWQPVPIEX-JTQLQIEISA-N 1 1 270.735 2.840 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000801920149 630487885 /nfs/dbraw/zinc/48/78/85/630487885.db2.gz PZWSWAWQPVPIEX-JTQLQIEISA-N 1 1 270.735 2.840 20 30 CFEDMO COc1ccccc1[C@@H]1CCC[N@H+]1CCO[C@@H](C)C#N ZINC000801917765 630487904 /nfs/dbraw/zinc/48/79/04/630487904.db2.gz OSEGXAALBQDAJX-ZFWWWQNUSA-N 1 1 274.364 2.761 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000801922633 630488387 /nfs/dbraw/zinc/48/83/87/630488387.db2.gz YJRITOPVTUURMD-WBVHZDCISA-N 1 1 272.392 2.969 20 30 CFEDMO CC[C@@H]1c2ccccc2CC[N@@H+]1CCO[C@@H](C)C#N ZINC000801921739 630488511 /nfs/dbraw/zinc/48/85/11/630488511.db2.gz LDUUZTFSIMRPSJ-XJKSGUPXSA-N 1 1 258.365 2.924 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000801921893 630488609 /nfs/dbraw/zinc/48/86/09/630488609.db2.gz OJAORGHZELFSKT-ZDUSSCGKSA-N 1 1 276.355 2.761 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000801922165 630488688 /nfs/dbraw/zinc/48/86/88/630488688.db2.gz REQHYTDPHMJNIA-LBPRGKRZSA-N 1 1 266.772 2.743 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000801922707 630488766 /nfs/dbraw/zinc/48/87/66/630488766.db2.gz ZJNKKQKNKQMORW-CYBMUJFWSA-N 1 1 276.355 2.761 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000801923061 630488941 /nfs/dbraw/zinc/48/89/41/630488941.db2.gz XWCUHRMCBKCMGL-NEPJUHHUSA-N 1 1 262.328 2.673 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000801924984 630489411 /nfs/dbraw/zinc/48/94/11/630489411.db2.gz XKJHREJMEZYSTH-INMHGKMJSA-N 1 1 272.392 2.868 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000801933582 630491009 /nfs/dbraw/zinc/49/10/09/630491009.db2.gz AHRKYUVOEYHXHY-STQMWFEESA-N 1 1 292.404 2.714 20 30 CFEDMO C/C(=C\c1ccccc1)C[N@H+](C)CCO[C@@H](C)C#N ZINC000801951542 630494237 /nfs/dbraw/zinc/49/42/37/630494237.db2.gz WDONLXINQLZZKC-GOFCXVBSSA-N 1 1 258.365 2.950 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1 ZINC000801953855 630495049 /nfs/dbraw/zinc/49/50/49/630495049.db2.gz XPCZSEHKZKERGT-CJNGLKHVSA-N 1 1 276.355 2.718 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000801955981 630495377 /nfs/dbraw/zinc/49/53/77/630495377.db2.gz YKBIVHOFSGGFRC-RYUDHWBXSA-N 1 1 290.329 2.970 20 30 CFEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C)[C@H](C)C1=O ZINC000839965158 630528211 /nfs/dbraw/zinc/52/82/11/630528211.db2.gz WMKGFXWPVHBTBD-CABCVRRESA-N 1 1 299.418 2.842 20 30 CFEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C)[C@H](C)C1=O ZINC000839965158 630528215 /nfs/dbraw/zinc/52/82/15/630528215.db2.gz WMKGFXWPVHBTBD-CABCVRRESA-N 1 1 299.418 2.842 20 30 CFEDMO C=CCN1CCN(C[N@H+](CCc2ccccc2)C2CC2)C1=O ZINC000839976061 630537926 /nfs/dbraw/zinc/53/79/26/630537926.db2.gz HBSVWUZBSZHJNN-UHFFFAOYSA-N 1 1 299.418 2.575 20 30 CFEDMO C=CCN1CCN(C[N@@H+](CCc2ccccc2)C2CC2)C1=O ZINC000839976061 630537927 /nfs/dbraw/zinc/53/79/27/630537927.db2.gz HBSVWUZBSZHJNN-UHFFFAOYSA-N 1 1 299.418 2.575 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000852749398 634823471 /nfs/dbraw/zinc/82/34/71/634823471.db2.gz WTPNNFIVOQSZSY-UHFFFAOYSA-N 1 1 284.403 2.959 20 30 CFEDMO C#CCC[N@@H+](CCOC)Cc1cccc(Cl)c1F ZINC000852749417 634823647 /nfs/dbraw/zinc/82/36/47/634823647.db2.gz XONRRKYVFREUNX-UHFFFAOYSA-N 1 1 269.747 2.951 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1cccc(Cl)c1F ZINC000852749417 634823654 /nfs/dbraw/zinc/82/36/54/634823654.db2.gz XONRRKYVFREUNX-UHFFFAOYSA-N 1 1 269.747 2.951 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1cccc(OC(C)(C)C)n1 ZINC000852751359 634824120 /nfs/dbraw/zinc/82/41/20/634824120.db2.gz ZCCCIFQZBIVCOX-UHFFFAOYSA-N 1 1 290.407 2.731 20 30 CFEDMO C=C(C)C[N@H+](C)Cn1ccc(-c2ccc(F)cn2)n1 ZINC000840041339 630673397 /nfs/dbraw/zinc/67/33/97/630673397.db2.gz JSMLYLLCLIOAPY-UHFFFAOYSA-N 1 1 260.316 2.550 20 30 CFEDMO C=C(C)C[N@@H+](C)Cn1ccc(-c2ccc(F)cn2)n1 ZINC000840041339 630673398 /nfs/dbraw/zinc/67/33/98/630673398.db2.gz JSMLYLLCLIOAPY-UHFFFAOYSA-N 1 1 260.316 2.550 20 30 CFEDMO C=CCN1CCN(C[N@@H+]2CC[C@@H](c3ccc(C)cc3)C2)C1=O ZINC000840043613 630674895 /nfs/dbraw/zinc/67/48/95/630674895.db2.gz MDUPXJGQBYJHSL-QGZVFWFLSA-N 1 1 299.418 2.665 20 30 CFEDMO C#C[C@@H](NC(=O)C[N@H+](C)CCC)c1ccc(Cl)cc1F ZINC000804421611 630680248 /nfs/dbraw/zinc/68/02/48/630680248.db2.gz ZKXKVUZHZSPESH-CQSZACIVSA-N 1 1 296.773 2.611 20 30 CFEDMO C=CCC[N@@H+](C)CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000840054027 630765864 /nfs/dbraw/zinc/76/58/64/630765864.db2.gz PIEGFAXRQGTDMX-OAHLLOKOSA-N 1 1 285.391 2.601 20 30 CFEDMO C=CCC[N@H+](C)CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000840054027 630765867 /nfs/dbraw/zinc/76/58/67/630765867.db2.gz PIEGFAXRQGTDMX-OAHLLOKOSA-N 1 1 285.391 2.601 20 30 CFEDMO C#CCCCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000836920327 630916701 /nfs/dbraw/zinc/91/67/01/630916701.db2.gz RDMDPGZRSNMQGI-KRWDZBQOSA-N 1 1 298.430 2.770 20 30 CFEDMO C=CCONC(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000837046819 630944746 /nfs/dbraw/zinc/94/47/46/630944746.db2.gz PLRRASDCGLRHFK-UHFFFAOYSA-N 1 1 276.380 2.766 20 30 CFEDMO Cc1[nH+]ccn1CCCC(=O)Nc1cccc(CC#N)c1 ZINC000837071328 630949328 /nfs/dbraw/zinc/94/93/28/630949328.db2.gz FWRBIRFZDRFNMF-UHFFFAOYSA-N 1 1 282.347 2.677 20 30 CFEDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C#CC(C)(C)C)C1 ZINC000837359565 631012275 /nfs/dbraw/zinc/01/22/75/631012275.db2.gz LUQZULCEHYMZFZ-AWEZNQCLSA-N 1 1 278.440 2.663 20 30 CFEDMO CC(C)(C)C#CC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000837431993 631027622 /nfs/dbraw/zinc/02/76/22/631027622.db2.gz WNUUKRUBTVBIRA-UHFFFAOYSA-N 1 1 276.424 2.513 20 30 CFEDMO C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000837459112 631035672 /nfs/dbraw/zinc/03/56/72/631035672.db2.gz ZPWLJTDXCLKCSS-QAPCUYQASA-N 1 1 296.414 2.569 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C)c(C#N)c1 ZINC000809236886 631102658 /nfs/dbraw/zinc/10/26/58/631102658.db2.gz VJEHCQJNBGXCCT-AWEZNQCLSA-N 1 1 287.407 2.717 20 30 CFEDMO CC[C@](C)(C#N)C(=O)OC[C@@H]1CCCC[N@H+]1C(C)C ZINC000837721531 631115953 /nfs/dbraw/zinc/11/59/53/631115953.db2.gz ITEUXAGDJNYKKE-DZGCQCFKSA-N 1 1 266.385 2.732 20 30 CFEDMO C=CCC(F)(F)C(=O)OCC[N@H+](C)Cc1ccccc1 ZINC000837745432 631121945 /nfs/dbraw/zinc/12/19/45/631121945.db2.gz UISAITOKFPTKRM-UHFFFAOYSA-N 1 1 283.318 2.873 20 30 CFEDMO Cc1cc(C(=O)/C=C/c2c[nH+]c(N(C)C)n2C)oc1C ZINC000840720486 631176790 /nfs/dbraw/zinc/17/67/90/631176790.db2.gz OYRQTSRGEUMZJU-VOTSOKGWSA-N 1 1 273.336 2.592 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)CCC)C2)cc1 ZINC000809557778 631234988 /nfs/dbraw/zinc/23/49/88/631234988.db2.gz SSHXANOULDKFRZ-GOSISDBHSA-N 1 1 298.430 2.796 20 30 CFEDMO CCO[C@@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000042422296 649999116 /nfs/dbraw/zinc/99/91/16/649999116.db2.gz GFQIVRMCUIXYLR-QGZVFWFLSA-N 1 1 288.391 2.828 20 30 CFEDMO N#CC[C@@H](O)C[N@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000809574078 631237086 /nfs/dbraw/zinc/23/70/86/631237086.db2.gz GAUPHOQKAQPIMX-CYBMUJFWSA-N 1 1 294.345 2.984 20 30 CFEDMO N#CC[C@@H](O)C[N@@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000809574078 631237094 /nfs/dbraw/zinc/23/70/94/631237094.db2.gz GAUPHOQKAQPIMX-CYBMUJFWSA-N 1 1 294.345 2.984 20 30 CFEDMO N#CC[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl ZINC000809572910 631237855 /nfs/dbraw/zinc/23/78/55/631237855.db2.gz WHCZZFIGISCBMW-UONOGXRCSA-N 1 1 278.783 2.621 20 30 CFEDMO C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)CC#N ZINC000809571534 631237949 /nfs/dbraw/zinc/23/79/49/631237949.db2.gz VKDPZXQHITTWHQ-ZWNOBZJWSA-N 1 1 252.745 2.607 20 30 CFEDMO CC[C@H]1C[N@@H+](C[C@H](O)CC#N)CC[C@H]1c1ccccc1 ZINC000809577608 631239018 /nfs/dbraw/zinc/23/90/18/631239018.db2.gz WKSORBXSAJSXIY-USXIJHARSA-N 1 1 272.392 2.777 20 30 CFEDMO C#Cc1ccc(CNCCC[NH+]2CCCCC2)cc1 ZINC000809603066 631244075 /nfs/dbraw/zinc/24/40/75/631244075.db2.gz ILKVMRBWQXPTTC-UHFFFAOYSA-N 1 1 256.393 2.634 20 30 CFEDMO C#Cc1ccc(C[NH2+]C[C@@H](C(C)C)N2CCCC2)cc1 ZINC000809604969 631244946 /nfs/dbraw/zinc/24/49/46/631244946.db2.gz WFMTYEKGNFKGAW-SFHVURJKSA-N 1 1 270.420 2.878 20 30 CFEDMO C#Cc1ccc(CN[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000809606003 631244954 /nfs/dbraw/zinc/24/49/54/631244954.db2.gz RNKHLAUXLCHQRL-HNNXBMFYSA-N 1 1 256.393 2.632 20 30 CFEDMO C#Cc1ccc(CNC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000809608168 631245908 /nfs/dbraw/zinc/24/59/08/631245908.db2.gz JEBRBXZDSQGLJF-OAHLLOKOSA-N 1 1 256.393 2.632 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1 ZINC000809650627 631255825 /nfs/dbraw/zinc/25/58/25/631255825.db2.gz GWEIGFGYTMPUOK-JJRVBVJISA-N 1 1 257.377 2.649 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809655214 631256989 /nfs/dbraw/zinc/25/69/89/631256989.db2.gz DVNJJCDPWSBQLJ-ZDUSSCGKSA-N 1 1 282.428 2.976 20 30 CFEDMO C#C[C@@H](CC)[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1 ZINC000809686273 631262412 /nfs/dbraw/zinc/26/24/12/631262412.db2.gz GRTQKLIKIHQCRV-NSHDSACASA-N 1 1 292.745 2.561 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CCCOC2)cc1 ZINC000809693229 631265091 /nfs/dbraw/zinc/26/50/91/631265091.db2.gz 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STMJPESAEFUMSP-AWEZNQCLSA-N 1 1 279.330 2.794 20 30 CFEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000859445507 636566344 /nfs/dbraw/zinc/56/63/44/636566344.db2.gz JWFMPKORGFZJCG-AWEZNQCLSA-N 1 1 268.364 2.665 20 30 CFEDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)CCC(C)(C)C#N ZINC000859532069 636591444 /nfs/dbraw/zinc/59/14/44/636591444.db2.gz TXVTWLXJKYIONO-UHFFFAOYSA-N 1 1 283.416 2.773 20 30 CFEDMO CCCCCCCCC[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860164626 636808943 /nfs/dbraw/zinc/80/89/43/636808943.db2.gz NJMZXRFXJWICTL-ZIAGYGMSSA-N 1 1 253.386 2.842 20 30 CFEDMO C#CCOc1ccccc1[C@@H](C)OC(=O)Cn1c[nH+]cc1C ZINC000860533597 636906515 /nfs/dbraw/zinc/90/65/15/636906515.db2.gz VYCLMXFRQIRXGD-CQSZACIVSA-N 1 1 298.342 2.508 20 30 CFEDMO C=CCC1(C(=O)OC[C@@]2(C)C[C@H](OC)C[N@H+]2C)CCCC1 ZINC000861353749 637172612 /nfs/dbraw/zinc/17/26/12/637172612.db2.gz PYSMFCIZLBGKBK-GOEBONIOSA-N 1 1 295.423 2.775 20 30 CFEDMO C#CCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)cc1 ZINC000188307011 650323178 /nfs/dbraw/zinc/32/31/78/650323178.db2.gz GOADSNVYDJVOCE-QAPCUYQASA-N 1 1 287.403 2.946 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862402583 637360991 /nfs/dbraw/zinc/36/09/91/637360991.db2.gz PPVCWNGFDDLCHO-NSHDSACASA-N 1 1 294.192 3.000 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2cn(C)nc2Br)C1 ZINC000862441502 637380137 /nfs/dbraw/zinc/38/01/37/637380137.db2.gz SAUGPJOWELNTEN-JTQLQIEISA-N 1 1 284.201 2.581 20 30 CFEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000862441496 637380173 /nfs/dbraw/zinc/38/01/73/637380173.db2.gz RXEKEXJLOCLFJJ-KRWDZBQOSA-N 1 1 299.462 2.836 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000862441496 637380181 /nfs/dbraw/zinc/38/01/81/637380181.db2.gz RXEKEXJLOCLFJJ-KRWDZBQOSA-N 1 1 299.462 2.836 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000862442804 637381566 /nfs/dbraw/zinc/38/15/66/637381566.db2.gz IDVDVEKGJVXUKB-CYBMUJFWSA-N 1 1 259.349 2.549 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC000862444209 637385237 /nfs/dbraw/zinc/38/52/37/637385237.db2.gz ZMNIMXHUNVRIEE-CYBMUJFWSA-N 1 1 289.375 2.558 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000862445297 637387505 /nfs/dbraw/zinc/38/75/05/637387505.db2.gz QCVSAIPYZQETBR-JSGCOSHPSA-N 1 1 276.405 2.840 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000862445298 637387762 /nfs/dbraw/zinc/38/77/62/637387762.db2.gz QCVSAIPYZQETBR-OCCSQVGLSA-N 1 1 276.405 2.840 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000862448516 637388858 /nfs/dbraw/zinc/38/88/58/637388858.db2.gz ZLGVGFJUSPQXAB-INIZCTEOSA-N 1 1 294.402 2.729 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000862448062 637389470 /nfs/dbraw/zinc/38/94/70/637389470.db2.gz WIZWMRNRVIDSPO-AWEZNQCLSA-N 1 1 273.376 2.857 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000862447863 637389623 /nfs/dbraw/zinc/38/96/23/637389623.db2.gz RPHXJWPTCCBXOY-AWEZNQCLSA-N 1 1 283.350 2.857 20 30 CFEDMO N#CCc1cccc2c1CC[N@H+](Cc1ccoc1)C2 ZINC000862542089 637415480 /nfs/dbraw/zinc/41/54/80/637415480.db2.gz FABRAUPCNTXJGU-UHFFFAOYSA-N 1 1 252.317 2.904 20 30 CFEDMO N#CCc1cccc2c1CC[N@@H+](Cc1ccoc1)C2 ZINC000862542089 637415482 /nfs/dbraw/zinc/41/54/82/637415482.db2.gz FABRAUPCNTXJGU-UHFFFAOYSA-N 1 1 252.317 2.904 20 30 CFEDMO C=CC[C@@H]1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000862546071 637417905 /nfs/dbraw/zinc/41/79/05/637417905.db2.gz GUANHXSJRDSYOA-CJNGLKHVSA-N 1 1 282.403 2.624 20 30 CFEDMO C=CC[C@@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000862546072 637418105 /nfs/dbraw/zinc/41/81/05/637418105.db2.gz GUANHXSJRDSYOA-CZUORRHYSA-N 1 1 282.403 2.624 20 30 CFEDMO C#CC[C@H](COC)NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000862548897 637422044 /nfs/dbraw/zinc/42/20/44/637422044.db2.gz PXTWSIGQMYWWKV-JQHSSLGASA-N 1 1 292.467 2.657 20 30 CFEDMO C#CC[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000862572623 637438223 /nfs/dbraw/zinc/43/82/23/637438223.db2.gz LQCNSFKFXVAEAP-OAHLLOKOSA-N 1 1 276.424 2.513 20 30 CFEDMO C#CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000862574781 637440203 /nfs/dbraw/zinc/44/02/03/637440203.db2.gz MXHXAQPAURJURN-NVXWUHKLSA-N 1 1 288.435 2.655 20 30 CFEDMO C[N@H+]1CCC(N=Nc2cc(C#N)cc(Cl)n2)CC1(C)C ZINC000863106095 637556339 /nfs/dbraw/zinc/55/63/39/637556339.db2.gz LNDBHSOWIKCUND-UHFFFAOYSA-N 1 1 291.786 2.879 20 30 CFEDMO CC(C)(C)OC(=O)N[C@H]1CCCC(=[NH+]n2cccn2)C1 ZINC000863162752 637576674 /nfs/dbraw/zinc/57/66/74/637576674.db2.gz YCMHHBWNHMGNDW-NSHDSACASA-N 1 1 278.356 2.555 20 30 CFEDMO CC1(C)C(=[NH+]n2cccn2)C[C@H]1Oc1ccccc1 ZINC000863163998 637576718 /nfs/dbraw/zinc/57/67/18/637576718.db2.gz VXUQIWSIXHMGJQ-CQSZACIVSA-N 1 1 255.321 2.965 20 30 CFEDMO CC(C)(C)OC(=O)N[C@@H]1CCCC(=[NH+]n2cccn2)C1 ZINC000863162751 637576838 /nfs/dbraw/zinc/57/68/38/637576838.db2.gz YCMHHBWNHMGNDW-LLVKDONJSA-N 1 1 278.356 2.555 20 30 CFEDMO C=CCC[N@@H+](C)CN1C[C@H](c2ccccc2)OC1=O ZINC000863263961 637609510 /nfs/dbraw/zinc/60/95/10/637609510.db2.gz AHIUZTLJTDPKPK-CQSZACIVSA-N 1 1 260.337 2.645 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@H](c2ccccc2)OC1=O ZINC000863263961 637609513 /nfs/dbraw/zinc/60/95/13/637609513.db2.gz AHIUZTLJTDPKPK-CQSZACIVSA-N 1 1 260.337 2.645 20 30 CFEDMO COc1ccc(O)c(/C=N\C[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000864346403 637947039 /nfs/dbraw/zinc/94/70/39/637947039.db2.gz VOUOHEBQYZURHZ-GZQZNAIASA-N 1 1 288.391 2.837 20 30 CFEDMO COc1ccc(O)c(/C=N\C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000864346404 637947076 /nfs/dbraw/zinc/94/70/76/637947076.db2.gz VOUOHEBQYZURHZ-JQFNYASXSA-N 1 1 288.391 2.837 20 30 CFEDMO C=CC[N@@H+](CC[C@H]1CCOC1=O)Cc1cccs1 ZINC000120036955 637960443 /nfs/dbraw/zinc/96/04/43/637960443.db2.gz ZLEIWERMKBHQMW-LBPRGKRZSA-N 1 1 265.378 2.689 20 30 CFEDMO C#Cc1cccc(N(CC)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)c1 ZINC000865156699 638208729 /nfs/dbraw/zinc/20/87/29/638208729.db2.gz NWDVGPXZQBIVRE-DLBZAZTESA-N 1 1 284.403 2.751 20 30 CFEDMO Cc1cc(C)c(COc2ccc(F)nc2C#N)c(C)[nH+]1 ZINC000865368367 638287703 /nfs/dbraw/zinc/28/77/03/638287703.db2.gz TXIBCYRPIYCXEW-UHFFFAOYSA-N 1 1 271.295 2.992 20 30 CFEDMO C[N@H+]1CCC[C@@H](CNc2cc(C(F)(F)F)cc(C#N)n2)C1 ZINC000865528004 638397948 /nfs/dbraw/zinc/39/79/48/638397948.db2.gz MCPUVQLFQSAONI-JTQLQIEISA-N 1 1 298.312 2.726 20 30 CFEDMO CC[N@H+]1CCCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 ZINC000865527239 638397976 /nfs/dbraw/zinc/39/79/76/638397976.db2.gz BLRVTCRNXMURCK-UHFFFAOYSA-N 1 1 298.312 2.504 20 30 CFEDMO Cc1ccnc(C[NH2+]CC2(CC#N)CC2)c1Br ZINC000865550792 638416028 /nfs/dbraw/zinc/41/60/28/638416028.db2.gz JZIODDYXNISOML-UHFFFAOYSA-N 1 1 294.196 2.936 20 30 CFEDMO C[C@H]1C[C@@H](Nc2cc(C(F)(F)F)cc(C#N)n2)CC[N@H+]1C ZINC000865558525 638422029 /nfs/dbraw/zinc/42/20/29/638422029.db2.gz RYQCDDGTTZPNBR-ONGXEEELSA-N 1 1 298.312 2.867 20 30 CFEDMO Cn1ncc2cc(C[NH2+]CC3(C#N)CCCCC3)cnc21 ZINC000865630189 638475792 /nfs/dbraw/zinc/47/57/92/638475792.db2.gz FOUXGQWKJNWLQB-UHFFFAOYSA-N 1 1 283.379 2.532 20 30 CFEDMO Cn1cc(C(F)F)c(C[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000865810135 638586343 /nfs/dbraw/zinc/58/63/43/638586343.db2.gz KQVABMAQFNVPSO-UHFFFAOYSA-N 1 1 276.290 2.519 20 30 CFEDMO CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(C#N)c1[O-] ZINC000866225222 638773630 /nfs/dbraw/zinc/77/36/30/638773630.db2.gz RJUPPLNAXSUPRH-CYBMUJFWSA-N 1 1 275.396 2.645 20 30 CFEDMO Cc1ncsc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866259779 638782460 /nfs/dbraw/zinc/78/24/60/638782460.db2.gz FZHCWSPXYMJOGX-SECBINFHSA-N 1 1 273.361 2.880 20 30 CFEDMO CCc1nc(N[C@H]2Cc3ccc(C#N)cc3C2)cc(C)[nH+]1 ZINC000866259192 638782528 /nfs/dbraw/zinc/78/25/28/638782528.db2.gz JMUQVYKNSHJGES-HNNXBMFYSA-N 1 1 278.359 2.798 20 30 CFEDMO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2O)cn1 ZINC000866372896 638808280 /nfs/dbraw/zinc/80/82/80/638808280.db2.gz WJOGNVVHSGBPEM-NEPJUHHUSA-N 1 1 284.363 2.892 20 30 CFEDMO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cccc(C#N)c1O ZINC000866500854 638831141 /nfs/dbraw/zinc/83/11/41/638831141.db2.gz GASXNTACWBOTOD-AVPPRXQKSA-N 1 1 270.254 2.865 20 30 CFEDMO C#C[C@@H](NC(=O)NC[C@H]1c2ccccc2C[N@H+]1C)C(C)(C)C ZINC000868615217 638962341 /nfs/dbraw/zinc/96/23/41/638962341.db2.gz HNRZMZVPNLRMDR-JKSUJKDBSA-N 1 1 299.418 2.520 20 30 CFEDMO C#C[C@@H](NC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C)C(C)(C)C ZINC000868615217 638962342 /nfs/dbraw/zinc/96/23/42/638962342.db2.gz HNRZMZVPNLRMDR-JKSUJKDBSA-N 1 1 299.418 2.520 20 30 CFEDMO C#CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000869801699 639408544 /nfs/dbraw/zinc/40/85/44/639408544.db2.gz XIFZDXOZMKGRHK-FUHWJXTLSA-N 1 1 298.430 2.674 20 30 CFEDMO C#CC[N@H+](C[C@H](O)CCC=C)[C@@H]1CCc2ccccc21 ZINC000122989219 639538088 /nfs/dbraw/zinc/53/80/88/639538088.db2.gz CXRGQRCVQIRPFV-SJLPKXTDSA-N 1 1 269.388 2.936 20 30 CFEDMO CCCCCCCCC[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000192030804 650536287 /nfs/dbraw/zinc/53/62/87/650536287.db2.gz SUGMMMAGLHYRFL-INIZCTEOSA-N 1 1 284.444 2.574 20 30 CFEDMO CCCCCCCCC[N@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000192030804 650536290 /nfs/dbraw/zinc/53/62/90/650536290.db2.gz SUGMMMAGLHYRFL-INIZCTEOSA-N 1 1 284.444 2.574 20 30 CFEDMO CCCCCCCC[N@H+]1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000192810314 650598806 /nfs/dbraw/zinc/59/88/06/650598806.db2.gz FNVWBVJXZIMUOS-JKSUJKDBSA-N 1 1 270.461 2.734 20 30 CFEDMO CCCCCCCCN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000192810314 650598810 /nfs/dbraw/zinc/59/88/10/650598810.db2.gz FNVWBVJXZIMUOS-JKSUJKDBSA-N 1 1 270.461 2.734 20 30 CFEDMO CCCCCCCCN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000192810314 650598812 /nfs/dbraw/zinc/59/88/12/650598812.db2.gz FNVWBVJXZIMUOS-JKSUJKDBSA-N 1 1 270.461 2.734 20 30 CFEDMO C[C@@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1ccc(C#N)cc1 ZINC000870786919 641070497 /nfs/dbraw/zinc/07/04/97/641070497.db2.gz BWOAIBLUTZKCMT-BBRMVZONSA-N 1 1 286.375 2.978 20 30 CFEDMO NC(CCc1ccccc1)=[NH+]OCc1noc2c1CCCC2 ZINC000123413264 641133873 /nfs/dbraw/zinc/13/38/73/641133873.db2.gz PTUQCKPIWQSJOQ-UHFFFAOYSA-N 1 1 299.374 2.975 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 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C=C(Cl)C[C@@H]([NH3+])c1nc(CCCSCC)no1 ZINC000872180605 641695425 /nfs/dbraw/zinc/69/54/25/641695425.db2.gz RZWSNWYTLAAYPZ-SECBINFHSA-N 1 1 275.805 2.898 20 30 CFEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282120 641738890 /nfs/dbraw/zinc/73/88/90/641738890.db2.gz BMJHIFPHFUBXNU-KRWDZBQOSA-N 1 1 285.391 2.877 20 30 CFEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872282120 641738893 /nfs/dbraw/zinc/73/88/93/641738893.db2.gz BMJHIFPHFUBXNU-KRWDZBQOSA-N 1 1 285.391 2.877 20 30 CFEDMO C[C@H]1C(N=Nc2ncc(Cl)cc2Cl)CC[N@H+]1C ZINC000872332592 641758305 /nfs/dbraw/zinc/75/83/05/641758305.db2.gz PTLNBFOWNKMTPB-ZETCQYMHSA-N 1 1 273.167 2.880 20 30 CFEDMO C[C@@H]1C(N=Nc2ccc(OC(F)F)cc2)CC[N@H+]1C ZINC000872348773 641762561 /nfs/dbraw/zinc/76/25/61/641762561.db2.gz RKZXTBILZAUYGH-SECBINFHSA-N 1 1 269.295 2.780 20 30 CFEDMO C[C@H]1C(N=Nc2cc(F)c(F)c(F)c2)CC[N@H+]1C ZINC000872355566 641764946 /nfs/dbraw/zinc/76/49/46/641764946.db2.gz YAWGIBIEELIJAF-ZETCQYMHSA-N 1 1 257.259 2.596 20 30 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/nfs/dbraw/zinc/59/16/41/778591641.db2.gz JGZHPYPTVBCIQQ-BPQIPLTHSA-N 1 1 298.430 2.899 20 30 CFEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)/C=C/C2CC2)C1 ZINC001102822574 778651471 /nfs/dbraw/zinc/65/14/71/778651471.db2.gz PZSUSPNWSNQTAF-XIHNBGGYSA-N 1 1 276.424 2.603 20 30 CFEDMO C=CCCCC[N@H+](C)C[C@@H]1Cc2ccccc2CN1 ZINC001236085895 778685866 /nfs/dbraw/zinc/68/58/66/778685866.db2.gz ZTPKRQWSRJRMMR-KRWDZBQOSA-N 1 1 258.409 2.989 20 30 CFEDMO C=CCCCCN(C)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001236085895 778685869 /nfs/dbraw/zinc/68/58/69/778685869.db2.gz ZTPKRQWSRJRMMR-KRWDZBQOSA-N 1 1 258.409 2.989 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3(CCF)CC3)CCC[C@@H]12 ZINC001284055237 778733017 /nfs/dbraw/zinc/73/30/17/778733017.db2.gz ADCHYSWDVDRTPR-RHSMWYFYSA-N 1 1 294.414 2.816 20 30 CFEDMO C=CCCCCCCCCN1CC[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001236412462 778807472 /nfs/dbraw/zinc/80/74/72/778807472.db2.gz VBHYWZLBTZYNJQ-HOTGVXAUSA-N 1 1 296.455 2.725 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)C(C)=C2CCCC2)C1 ZINC001030210849 778814241 /nfs/dbraw/zinc/81/42/41/778814241.db2.gz WHJFRLRCLNTCEL-UHFFFAOYSA-N 1 1 262.397 2.644 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)C(C)(C)C2CCCC2)C1 ZINC001030453866 778874733 /nfs/dbraw/zinc/87/47/33/778874733.db2.gz NRECBMPEFXBLQL-UHFFFAOYSA-N 1 1 278.440 2.969 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)c(Cl)c2)CCC[C@@H]1O ZINC001232112566 778899319 /nfs/dbraw/zinc/89/93/19/778899319.db2.gz XVWUHZGZDMPEGU-NHYWBVRUSA-N 1 1 278.783 2.804 20 30 CFEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CO[C@H](C)CC ZINC001099023123 778920570 /nfs/dbraw/zinc/92/05/70/778920570.db2.gz KICQCXNATWRDBX-HUUCEWRRSA-N 1 1 296.455 2.594 20 30 CFEDMO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1cccc2ncccc21 ZINC001038563896 778925970 /nfs/dbraw/zinc/92/59/70/778925970.db2.gz MQNICXANHONNTK-AWEZNQCLSA-N 1 1 295.386 2.615 20 30 CFEDMO C=CC[N@@H+](C)Cc1cc(OC)c(Cl)cc1OC ZINC001232374494 778931257 /nfs/dbraw/zinc/93/12/57/778931257.db2.gz UIBHSIVAYRRCOI-UHFFFAOYSA-N 1 1 255.745 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IUZIPFOMXSCXCZ-CJNGLKHVSA-N 1 1 297.402 2.557 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C2CCCC2)[C@H]1C ZINC001088970936 778963510 /nfs/dbraw/zinc/96/35/10/778963510.db2.gz UZFCSAHHJQTPOZ-LZWOXQAQSA-N 1 1 278.440 2.968 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1Br ZINC001236856253 778966963 /nfs/dbraw/zinc/96/69/63/778966963.db2.gz KGSNFLZRCOXYTR-TXEJJXNPSA-N 1 1 277.165 2.772 20 30 CFEDMO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1Br ZINC001236856253 778966966 /nfs/dbraw/zinc/96/69/66/778966966.db2.gz KGSNFLZRCOXYTR-TXEJJXNPSA-N 1 1 277.165 2.772 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C)cc2)[C@H]1C ZINC001088999886 778971275 /nfs/dbraw/zinc/97/12/75/778971275.db2.gz YOUNJZLMRGWBMI-ZBFHGGJFSA-N 1 1 272.392 2.764 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(Cl)cc2)[C@H]1C ZINC001089015276 778973449 /nfs/dbraw/zinc/97/34/49/778973449.db2.gz NIIIEHNXGWCXCF-DOMZBBRYSA-N 1 1 292.810 2.648 20 30 CFEDMO CC(C)[N@H+]1CC[C@]2(C1)CCCCN(C(=O)C#CC1CC1)C2 ZINC001045936210 778981856 /nfs/dbraw/zinc/98/18/56/778981856.db2.gz DVYVAGXENHHYFK-SFHVURJKSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C)s2)[C@H]1C ZINC001089060067 778983780 /nfs/dbraw/zinc/98/37/80/778983780.db2.gz QUYQTTUZBMQXQS-HIFRSBDPSA-N 1 1 292.448 2.754 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](NC(=O)C2CCC(C)(C)CC2)[C@H]1C ZINC001089066786 778985921 /nfs/dbraw/zinc/98/59/21/778985921.db2.gz AEUFHZCOPAMVJF-ZBFHGGJFSA-N 1 1 290.451 2.805 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCC(C)CC2)[C@H]1C ZINC001089067909 778987308 /nfs/dbraw/zinc/98/73/08/778987308.db2.gz BKTPNULYNSZNQV-DGNOSDGRSA-N 1 1 278.440 2.968 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)[C@H]1C ZINC001089070641 778987370 /nfs/dbraw/zinc/98/73/70/778987370.db2.gz PUQNRARUTUKPBR-LMPOIIKSSA-N 1 1 290.451 2.661 20 30 CFEDMO CCCCCCC[N@H+]1CCN[C@@H](C(F)(F)F)C1 ZINC001236983709 778991039 /nfs/dbraw/zinc/99/10/39/778991039.db2.gz VSFHHKREAJJLGA-LLVKDONJSA-N 1 1 252.324 2.793 20 30 CFEDMO CCCCCCC[N@H+]1CCN[C@H](C(F)(F)F)C1 ZINC001236983710 778991188 /nfs/dbraw/zinc/99/11/88/778991188.db2.gz VSFHHKREAJJLGA-NSHDSACASA-N 1 1 252.324 2.793 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(C)(NC(=O)/C(C)=C\C)CC1 ZINC001278038993 778993164 /nfs/dbraw/zinc/99/31/64/778993164.db2.gz AUSNZMFFPSYDBD-WZUFQYTHSA-N 1 1 270.804 2.676 20 30 CFEDMO C=CCCCCCCCCC[N@H+]1C[C@@H](OC)[C@@H](N)C1 ZINC001237101979 779008322 /nfs/dbraw/zinc/00/83/22/779008322.db2.gz PKBAEJXNSLHKRS-JKSUJKDBSA-N 1 1 268.445 2.951 20 30 CFEDMO C=CCCCCCCCCC[N@@H+]1C[C@@H](OC)[C@@H](N)C1 ZINC001237101979 779008325 /nfs/dbraw/zinc/00/83/25/779008325.db2.gz PKBAEJXNSLHKRS-JKSUJKDBSA-N 1 1 268.445 2.951 20 30 CFEDMO COc1ccc(C[N@@H+](C)Cc2cccc(C#N)c2)cc1N ZINC000061949309 779036990 /nfs/dbraw/zinc/03/69/90/779036990.db2.gz XRZIJZDZUMMCCM-UHFFFAOYSA-N 1 1 281.359 2.781 20 30 CFEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1OCCO ZINC001237208406 779049697 /nfs/dbraw/zinc/04/96/97/779049697.db2.gz JASBADNNZJMELF-UHFFFAOYSA-N 1 1 296.370 2.561 20 30 CFEDMO CC(C)[N@H+]1CC[C@H](Oc2ccccc2C(=O)CC#N)C1 ZINC001233523943 779050624 /nfs/dbraw/zinc/05/06/24/779050624.db2.gz HJOTTXLKEBGWJG-ZDUSSCGKSA-N 1 1 272.348 2.644 20 30 CFEDMO COc1nc(Cl)ccc1C[NH+]1CCC(CC#N)CC1 ZINC001237244377 779059332 /nfs/dbraw/zinc/05/93/32/779059332.db2.gz NEYXIVSVOCHJBC-UHFFFAOYSA-N 1 1 279.771 2.869 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(F)c(C)c2)C1 ZINC001030878559 779073155 /nfs/dbraw/zinc/07/31/55/779073155.db2.gz AARFDOSGSOMVOT-UHFFFAOYSA-N 1 1 276.355 2.514 20 30 CFEDMO C#Cc1ccccc1CC(=O)N1CCCC[C@H]1C[N@H+](C)CC ZINC001089254920 779084945 /nfs/dbraw/zinc/08/49/45/779084945.db2.gz SLPHOSKXEWUZSA-SFHVURJKSA-N 1 1 298.430 2.543 20 30 CFEDMO C=CCN1CC[C@]2(CC[N@H+](Cc3ccccc3CC)C2)C1=O ZINC001272421327 779091387 /nfs/dbraw/zinc/09/13/87/779091387.db2.gz JTANKSDAJYPHLG-IBGZPJMESA-N 1 1 298.430 2.859 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCC[C@H]2CC)C1 ZINC001030911660 779095981 /nfs/dbraw/zinc/09/59/81/779095981.db2.gz TYQFVCMXPJWCRB-HIFRSBDPSA-N 1 1 264.413 2.579 20 30 CFEDMO CCC[C@@H](C)C[N@H+]1CC[C@]2(CCN(CCCC#N)C2=O)C1 ZINC001272432712 779096639 /nfs/dbraw/zinc/09/66/39/779096639.db2.gz RDQNMCJCFKYXNF-WBVHZDCISA-N 1 1 291.439 2.651 20 30 CFEDMO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2C[C@@H](C)CCC ZINC001272433024 779096862 /nfs/dbraw/zinc/09/68/62/779096862.db2.gz SYHBGPFFTGMBMC-RDJZCZTQSA-N 1 1 276.424 2.513 20 30 CFEDMO CCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2Cc1cccc(C#N)c1 ZINC001272454125 779105588 /nfs/dbraw/zinc/10/55/88/779105588.db2.gz QALYGQTUBSMDHK-IAGOWNOFSA-N 1 1 297.402 2.534 20 30 CFEDMO CC[N@@H+](Cc1cccc(OC)c1)Cc1ccnc(C#N)c1 ZINC001237461859 779112245 /nfs/dbraw/zinc/11/22/45/779112245.db2.gz BEZMOIPAPMXCQF-UHFFFAOYSA-N 1 1 281.359 2.984 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@@H](F)C(F)(F)CC2)ccn1 ZINC001237459351 779112292 /nfs/dbraw/zinc/11/22/92/779112292.db2.gz NYLOTWUFFAFWQN-GFCCVEGCSA-N 1 1 269.270 2.522 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](F)C(F)(F)CC2)ccn1 ZINC001237459351 779112298 /nfs/dbraw/zinc/11/22/98/779112298.db2.gz NYLOTWUFFAFWQN-GFCCVEGCSA-N 1 1 269.270 2.522 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)CCC[C@H]1O ZINC001237464092 779113971 /nfs/dbraw/zinc/11/39/71/779113971.db2.gz CCSAVJJIQSJJEA-SCLBCKFNSA-N 1 1 297.402 2.643 20 30 CFEDMO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237464196 779114291 /nfs/dbraw/zinc/11/42/91/779114291.db2.gz CVHCLZCZTSDMIS-DZGCQCFKSA-N 1 1 297.402 2.643 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)CCC[C@H]1O ZINC001237464089 779114314 /nfs/dbraw/zinc/11/43/14/779114314.db2.gz CCSAVJJIQSJJEA-FZKQIMNGSA-N 1 1 297.402 2.643 20 30 CFEDMO Cn1cc(C[N@H+]2CCC[C@@](C)(O)CC2)c2cc(C#N)ccc21 ZINC001237466986 779115512 /nfs/dbraw/zinc/11/55/12/779115512.db2.gz PYSMLQVOGDJONC-GOSISDBHSA-N 1 1 297.402 2.787 20 30 CFEDMO Cn1cc(CN2CC[N@@H+](C)C(C)(C)C2)c2cc(C#N)ccc21 ZINC001237473896 779116891 /nfs/dbraw/zinc/11/68/91/779116891.db2.gz YEXKVJVZNTTWRQ-UHFFFAOYSA-N 1 1 296.418 2.576 20 30 CFEDMO Cn1cc(C[N@@H+]2CCN(C)C(C)(C)C2)c2cc(C#N)ccc21 ZINC001237473896 779116894 /nfs/dbraw/zinc/11/68/94/779116894.db2.gz YEXKVJVZNTTWRQ-UHFFFAOYSA-N 1 1 296.418 2.576 20 30 CFEDMO Cn1cc(C[N@H+]2CCN(C)C(C)(C)C2)c2cc(C#N)ccc21 ZINC001237473896 779116897 /nfs/dbraw/zinc/11/68/97/779116897.db2.gz YEXKVJVZNTTWRQ-UHFFFAOYSA-N 1 1 296.418 2.576 20 30 CFEDMO Cn1cc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237473893 779117133 /nfs/dbraw/zinc/11/71/33/779117133.db2.gz YEFYHSNIDJUQSA-RDTXWAMCSA-N 1 1 295.386 2.661 20 30 CFEDMO C=CCN1CC[C@]2(CC[N@H+](CCCCCC)C2)C1=O ZINC001272475243 779118439 /nfs/dbraw/zinc/11/84/39/779118439.db2.gz CHNOJGUJUGXOQV-INIZCTEOSA-N 1 1 264.413 2.677 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@](O)(CF)CC2)c(F)cc1F ZINC001237524615 779126250 /nfs/dbraw/zinc/12/62/50/779126250.db2.gz KWSLYIBTHRDJBB-OAHLLOKOSA-N 1 1 298.308 2.523 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCC[C@](O)(CF)CC2)c(F)cc1F ZINC001237524615 779126253 /nfs/dbraw/zinc/12/62/53/779126253.db2.gz KWSLYIBTHRDJBB-OAHLLOKOSA-N 1 1 298.308 2.523 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@@](F)(CO)CC2)c(F)cc1F ZINC001237525886 779127086 /nfs/dbraw/zinc/12/70/86/779127086.db2.gz WMRNHSLAFJLWKK-HNNXBMFYSA-N 1 1 298.308 2.523 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c(F)cc1F ZINC001237525886 779127088 /nfs/dbraw/zinc/12/70/88/779127088.db2.gz WMRNHSLAFJLWKK-HNNXBMFYSA-N 1 1 298.308 2.523 20 30 CFEDMO C#CC1CC[NH+](Cc2cnc(C)c(Br)c2)CC1 ZINC001237550897 779132842 /nfs/dbraw/zinc/13/28/42/779132842.db2.gz DWMZGFFPGQYSRU-UHFFFAOYSA-N 1 1 293.208 2.998 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C2CC(C)(C)C2)C1 ZINC001046292163 779134695 /nfs/dbraw/zinc/13/46/95/779134695.db2.gz RZFHDPNQVOBCTO-QGZVFWFLSA-N 1 1 278.440 2.969 20 30 CFEDMO C[C@]1(C#N)CC[N@H+]([C@@H]2CCc3cc(F)ccc3C2)C1 ZINC001168444173 779135781 /nfs/dbraw/zinc/13/57/81/779135781.db2.gz FYOCAAUVWIZKSR-HZPDHXFCSA-N 1 1 258.340 2.919 20 30 CFEDMO N#Cc1ccc2nc(C[N@H+]3CC[C@@H]4CCC[C@@H]4C3)cn2c1 ZINC001237603533 779140536 /nfs/dbraw/zinc/14/05/36/779140536.db2.gz CJEMIKVFPVKDEN-LSDHHAIUSA-N 1 1 280.375 2.828 20 30 CFEDMO N#Cc1ccc2nc(C[NH+]3CC4(C3)CCCC4)cn2c1 ZINC001237604810 779140564 /nfs/dbraw/zinc/14/05/64/779140564.db2.gz RYZJGPJFPAHYTA-UHFFFAOYSA-N 1 1 266.348 2.582 20 30 CFEDMO N#Cc1ccc2nc(C[N@H+]3CCC34CCCC4)cn2c1 ZINC001237603740 779140735 /nfs/dbraw/zinc/14/07/35/779140735.db2.gz GARSGQJVSKPQEV-UHFFFAOYSA-N 1 1 266.348 2.724 20 30 CFEDMO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCC(C)(C)C ZINC001272492835 779141042 /nfs/dbraw/zinc/14/10/42/779141042.db2.gz UVHQELLCSMSEQZ-KRWDZBQOSA-N 1 1 276.424 2.513 20 30 CFEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001046320532 779142749 /nfs/dbraw/zinc/14/27/49/779142749.db2.gz JCTKYOZKWJISPL-ZBFHGGJFSA-N 1 1 276.424 2.723 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)CC2CC2)CC(C)(C)C1 ZINC001089299651 779149365 /nfs/dbraw/zinc/14/93/65/779149365.db2.gz VZTBOAYUOZVXGD-AWEZNQCLSA-N 1 1 264.413 2.579 20 30 CFEDMO C=CCN1c2ccccc2[C@]2(CC[N@@H+](CC3CCC3)C2)C1=O ZINC001272515469 779161483 /nfs/dbraw/zinc/16/14/83/779161483.db2.gz MIPWFRCTVODJCF-LJQANCHMSA-N 1 1 296.414 2.963 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c1 ZINC001237747211 779173352 /nfs/dbraw/zinc/17/33/52/779173352.db2.gz SHPVTSZSOODSRG-HNNXBMFYSA-N 1 1 296.773 2.898 20 30 CFEDMO Cc1[nH+]cc2n1CCN(Cc1cc(Cl)cc(C#N)c1)C2 ZINC001237747483 779173367 /nfs/dbraw/zinc/17/33/67/779173367.db2.gz CFYMMKHDHHSKGJ-UHFFFAOYSA-N 1 1 286.766 2.732 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)CC2CCCCCC2)C1 ZINC001031018032 779173668 /nfs/dbraw/zinc/17/36/68/779173668.db2.gz CVQDSNROCMHYPJ-UHFFFAOYSA-N 1 1 264.413 2.723 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001237749531 779174238 /nfs/dbraw/zinc/17/42/38/779174238.db2.gz VLWIEMQHDKJGSM-HIFRSBDPSA-N 1 1 276.767 2.822 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001237749531 779174242 /nfs/dbraw/zinc/17/42/42/779174242.db2.gz VLWIEMQHDKJGSM-HIFRSBDPSA-N 1 1 276.767 2.822 20 30 CFEDMO CC[N@H+]1CCN(Cc2cc(Cl)cc(C#N)c2)[C@H](C)C1 ZINC001237756168 779175252 /nfs/dbraw/zinc/17/52/52/779175252.db2.gz WOVHEPSNBRCIKR-GFCCVEGCSA-N 1 1 277.799 2.738 20 30 CFEDMO C[NH+]1CC2(C1)CCN(Cc1cc(Cl)cc(C#N)c1)CC2 ZINC001237753562 779175837 /nfs/dbraw/zinc/17/58/37/779175837.db2.gz LWVGSBDUGHGDAE-UHFFFAOYSA-N 1 1 289.810 2.739 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2)CC(C)(C)C1 ZINC001089302810 779176356 /nfs/dbraw/zinc/17/63/56/779176356.db2.gz ITBOMPGMYTVWRA-KRWDZBQOSA-N 1 1 298.430 2.930 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccccn3)n2)C1 ZINC001237834618 779191004 /nfs/dbraw/zinc/19/10/04/779191004.db2.gz YEMKFVVCMJTIIZ-HNNXBMFYSA-N 1 1 277.371 2.989 20 30 CFEDMO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC1CC1 ZINC001234538060 779242225 /nfs/dbraw/zinc/24/22/25/779242225.db2.gz UYZJIIYNCOJELI-AWEZNQCLSA-N 1 1 264.413 2.531 20 30 CFEDMO C=CC[NH+]1CCN(Cc2ccc(C)c(OCC)c2)CC1 ZINC001238073030 779246722 /nfs/dbraw/zinc/24/67/22/779246722.db2.gz AXIILSHFBRJBFC-UHFFFAOYSA-N 1 1 274.408 2.697 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H](O)C2)c(Cl)c1 ZINC001238079665 779248669 /nfs/dbraw/zinc/24/86/69/779248669.db2.gz GOIVLDVMHLFWPF-CYBMUJFWSA-N 1 1 264.756 2.558 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCCC[C@H]2CC)C1 ZINC001031167188 779268012 /nfs/dbraw/zinc/26/80/12/779268012.db2.gz CPDHHLFLKNNGSD-GDBMZVCRSA-N 1 1 278.440 2.969 20 30 CFEDMO CO[C@@H](C)C1C[NH+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238199155 779278827 /nfs/dbraw/zinc/27/88/27/779278827.db2.gz RDEAHEHVOXOGPL-JTQLQIEISA-N 1 1 264.756 2.678 20 30 CFEDMO C#CC1CC[NH+](Cc2cc(OC)ncc2Cl)CC1 ZINC001238352980 779297346 /nfs/dbraw/zinc/29/73/46/779297346.db2.gz AMFODCNKNLJYRK-UHFFFAOYSA-N 1 1 264.756 2.589 20 30 CFEDMO COc1cc(C[NH+]2CC3(C2)C[C@@H](F)CS3)ccc1C#N ZINC001238413324 779308712 /nfs/dbraw/zinc/30/87/12/779308712.db2.gz PDOFHFPVUDKMDC-CYBMUJFWSA-N 1 1 292.379 2.596 20 30 CFEDMO COc1cc(C[NH+]2CC3(C2)CC(F)(F)C3)ccc1C#N ZINC001238414487 779308849 /nfs/dbraw/zinc/30/88/49/779308849.db2.gz UIBROJMKMSTILO-UHFFFAOYSA-N 1 1 278.302 2.798 20 30 CFEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CCC(F)(F)C1 ZINC001235142794 779318670 /nfs/dbraw/zinc/31/86/70/779318670.db2.gz QWBLYWFQMNPRIQ-STQMWFEESA-N 1 1 286.366 2.531 20 30 CFEDMO C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3C)C2)C1=O ZINC001272639709 779366428 /nfs/dbraw/zinc/36/64/28/779366428.db2.gz VXYSWFMNOAZJCN-IBGZPJMESA-N 1 1 298.430 2.996 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(C)cnc2SC)C1 ZINC001238718892 779375203 /nfs/dbraw/zinc/37/52/03/779375203.db2.gz VJUWRIAPDILTQU-CYBMUJFWSA-N 1 1 260.406 2.957 20 30 CFEDMO CCc1cc(C[N@H+](CC)CCN(C)C)ccc1C#N ZINC001238766414 779385490 /nfs/dbraw/zinc/38/54/90/779385490.db2.gz LONKOVJFFILDHT-UHFFFAOYSA-N 1 1 259.397 2.504 20 30 CFEDMO CCc1cc(C[N@@H+](CC)CCN(C)C)ccc1C#N ZINC001238766414 779385494 /nfs/dbraw/zinc/38/54/94/779385494.db2.gz LONKOVJFFILDHT-UHFFFAOYSA-N 1 1 259.397 2.504 20 30 CFEDMO CCc1cc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)ccc1C#N ZINC001238768605 779386705 /nfs/dbraw/zinc/38/67/05/779386705.db2.gz LPZWNMHQPRWEIQ-CHWSQXEVSA-N 1 1 258.365 2.730 20 30 CFEDMO CCc1cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)ccc1C#N ZINC001238768605 779386709 /nfs/dbraw/zinc/38/67/09/779386709.db2.gz LPZWNMHQPRWEIQ-CHWSQXEVSA-N 1 1 258.365 2.730 20 30 CFEDMO CCc1cc(CN2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)ccc1C#N ZINC001238768629 779386750 /nfs/dbraw/zinc/38/67/50/779386750.db2.gz LSCLKLCYNUIBCH-ZWKOTPCHSA-N 1 1 283.419 2.647 20 30 CFEDMO CCc1cc(C[N@@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)ccc1C#N ZINC001238768629 779386753 /nfs/dbraw/zinc/38/67/53/779386753.db2.gz LSCLKLCYNUIBCH-ZWKOTPCHSA-N 1 1 283.419 2.647 20 30 CFEDMO CCc1cc(C[N@H+]2C[C@@H]3CCCN(C)[C@@H]3C2)ccc1C#N ZINC001238768629 779386759 /nfs/dbraw/zinc/38/67/59/779386759.db2.gz LSCLKLCYNUIBCH-ZWKOTPCHSA-N 1 1 283.419 2.647 20 30 CFEDMO CCc1cc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)ccc1C#N ZINC001238777848 779389486 /nfs/dbraw/zinc/38/94/86/779389486.db2.gz ISNSWXKHNMKWIL-OKILXGFUSA-N 1 1 271.408 2.645 20 30 CFEDMO CCc1cc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)ccc1C#N ZINC001238777848 779389491 /nfs/dbraw/zinc/38/94/91/779389491.db2.gz ISNSWXKHNMKWIL-OKILXGFUSA-N 1 1 271.408 2.645 20 30 CFEDMO CCc1cc(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)ccc1C#N ZINC001238777848 779389495 /nfs/dbraw/zinc/38/94/95/779389495.db2.gz ISNSWXKHNMKWIL-OKILXGFUSA-N 1 1 271.408 2.645 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)C[C@H]2CCCc3ccccc32)C1 ZINC001031293494 779389976 /nfs/dbraw/zinc/38/99/76/779389976.db2.gz CIGXOFCSDCTJLC-MRXNPFEDSA-N 1 1 298.430 2.873 20 30 CFEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCC1(C)CC1 ZINC001099291589 779413589 /nfs/dbraw/zinc/41/35/89/779413589.db2.gz KMYYKHNHYNRHBJ-HNNXBMFYSA-N 1 1 290.451 2.807 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC2(C)C)CC(C)(C)C1 ZINC001089362247 779423771 /nfs/dbraw/zinc/42/37/71/779423771.db2.gz DWLPJUAGKDECGB-CABCVRRESA-N 1 1 290.451 2.663 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CC2)CC(C)(C)C1 ZINC001089395391 779452610 /nfs/dbraw/zinc/45/26/10/779452610.db2.gz UWTRYEJJASNOPN-CYBMUJFWSA-N 1 1 264.413 2.579 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2c[nH]c3c2cccc3CC)C1 ZINC001031440602 779457145 /nfs/dbraw/zinc/45/71/45/779457145.db2.gz IJFMIUHSOIDXLG-UHFFFAOYSA-N 1 1 297.402 2.720 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)C2CCC(C)(C)CC2)C1 ZINC001031456684 779463026 /nfs/dbraw/zinc/46/30/26/779463026.db2.gz JUIKMKGVUHGZKG-UHFFFAOYSA-N 1 1 278.440 2.969 20 30 CFEDMO CCCCCCCNC(=O)Nc1cc[nH+]c(N)c1 ZINC001239182846 779466251 /nfs/dbraw/zinc/46/62/51/779466251.db2.gz SICGLMPRLGJEMK-UHFFFAOYSA-N 1 1 250.346 2.756 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)Cc2c(C)oc3ccccc32)C1 ZINC001031498840 779470941 /nfs/dbraw/zinc/47/09/41/779470941.db2.gz LWVNJOCJZBQZBX-UHFFFAOYSA-N 1 1 298.386 2.660 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c[nH]2)CC(C)(C)C1 ZINC001089440091 779471234 /nfs/dbraw/zinc/47/12/34/779471234.db2.gz LAVUZUYBOSZGIH-CYBMUJFWSA-N 1 1 293.386 2.560 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCCC2)CC(C)(C)C1 ZINC001089455868 779481604 /nfs/dbraw/zinc/48/16/04/779481604.db2.gz AIUIPRAIMWBXFP-OAHLLOKOSA-N 1 1 290.451 2.807 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)CC(C)(C)C1 ZINC001089464355 779488708 /nfs/dbraw/zinc/48/87/08/779488708.db2.gz HDSQTNVRCYEEOX-RBSFLKMASA-N 1 1 278.440 2.825 20 30 CFEDMO C#CC[NH+]1CC(CNC(=O)c2csc3cc(C)ccc23)C1 ZINC001031699864 779534986 /nfs/dbraw/zinc/53/49/86/779534986.db2.gz ZLUZKAOVVDAEEF-UHFFFAOYSA-N 1 1 298.411 2.505 20 30 CFEDMO C=CCCCCCCCCC[N@H+]1C[C@H](N)[C@@H](C(=O)OC)C1 ZINC001236339336 779544271 /nfs/dbraw/zinc/54/42/71/779544271.db2.gz GOJASGFVJDUTTK-HOTGVXAUSA-N 1 1 296.455 2.725 20 30 CFEDMO C=CCCCCCCCCCN1C[C@H]([NH3+])[C@@H](C(=O)OC)C1 ZINC001236339336 779544276 /nfs/dbraw/zinc/54/42/76/779544276.db2.gz GOJASGFVJDUTTK-HOTGVXAUSA-N 1 1 296.455 2.725 20 30 CFEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1C=CC=CC=C1 ZINC001089648168 779553140 /nfs/dbraw/zinc/55/31/40/779553140.db2.gz HJVOPSDVCWQWMD-QGZVFWFLSA-N 1 1 298.430 2.525 20 30 CFEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001089686453 779566572 /nfs/dbraw/zinc/56/65/72/779566572.db2.gz UBXVGOCJUQFCJK-FXUDXRNXSA-N 1 1 290.451 2.825 20 30 CFEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC2(CC2)C1 ZINC001089693494 779569355 /nfs/dbraw/zinc/56/93/55/779569355.db2.gz LJQZVROZDPVBIK-HNNXBMFYSA-N 1 1 290.451 2.969 20 30 CFEDMO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC(C)C ZINC001089760388 779585323 /nfs/dbraw/zinc/58/53/23/779585323.db2.gz JGFFXEDENCAFPQ-HZMVEIRTSA-N 1 1 290.451 2.777 20 30 CFEDMO C=CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C1CCCC1 ZINC001089752046 779586434 /nfs/dbraw/zinc/58/64/34/779586434.db2.gz XZBBOTGNULWMNR-NXOAAHMSSA-N 1 1 288.435 2.531 20 30 CFEDMO C#CC[NH+]1CC(CNC(=O)c2ccccc2CC(C)(C)C)C1 ZINC001031756471 779590910 /nfs/dbraw/zinc/59/09/10/779590910.db2.gz GLKJXEDYVGVDGW-UHFFFAOYSA-N 1 1 298.430 2.570 20 30 CFEDMO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)/C(C)=C/C ZINC001089789836 779601077 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290.382 2.986 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)CC2CCCCC2)C1 ZINC001034087318 780884017 /nfs/dbraw/zinc/88/40/17/780884017.db2.gz IZRUYFPKHHETGU-QGZVFWFLSA-N 1 1 290.451 2.951 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001034102179 780887143 /nfs/dbraw/zinc/88/71/43/780887143.db2.gz OUMHWNCQSQYOAA-OAHLLOKOSA-N 1 1 288.391 2.504 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001034095086 780890995 /nfs/dbraw/zinc/89/09/95/780890995.db2.gz JTROBRSGXGDHEM-CVEARBPZSA-N 1 1 276.424 2.890 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001034101489 780894101 /nfs/dbraw/zinc/89/41/01/780894101.db2.gz MCLFGASSYJZSSW-LLVKDONJSA-N 1 1 282.771 2.703 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001034127812 780901734 /nfs/dbraw/zinc/90/17/34/780901734.db2.gz NNRQXACPOFYYJU-KRWDZBQOSA-N 1 1 288.435 2.871 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)CC2CCC2)C1 ZINC001034137203 780903832 /nfs/dbraw/zinc/90/38/32/780903832.db2.gz 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ZINC001034323112 780947285 /nfs/dbraw/zinc/94/72/85/780947285.db2.gz GUZPISHSDJXIMB-IJEWVQPXSA-N 1 1 296.842 2.900 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@]2(C)C[C@H]3C[C@H]3C2)C1 ZINC001034323330 780947962 /nfs/dbraw/zinc/94/79/62/780947962.db2.gz NHRWXXCQCLLNDJ-KYHPRHEASA-N 1 1 290.451 2.969 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CC)C1 ZINC001034368109 780955314 /nfs/dbraw/zinc/95/53/14/780955314.db2.gz IPTGGEXGZXDRJO-KRWDZBQOSA-N 1 1 298.430 2.857 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cc[nH]c2C2CC2)C1 ZINC001034374195 780956739 /nfs/dbraw/zinc/95/67/39/780956739.db2.gz WTJZLLZMEBXZPN-CQSZACIVSA-N 1 1 287.407 2.662 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cc[nH]c2C(C)C)C1 ZINC001034359485 780958234 /nfs/dbraw/zinc/95/82/34/780958234.db2.gz BRLGYMUIJBWDBK-AWEZNQCLSA-N 1 1 289.423 2.908 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001034380537 780961449 /nfs/dbraw/zinc/96/14/49/780961449.db2.gz JYHPXXRBZBLRIX-GFCCVEGCSA-N 1 1 295.814 2.829 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C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001034497374 780983726 /nfs/dbraw/zinc/98/37/26/780983726.db2.gz SPJCLKACQKZSGZ-ULQDDVLXSA-N 1 1 290.451 2.807 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001034497876 780984288 /nfs/dbraw/zinc/98/42/88/780984288.db2.gz HHPYUGIESATIJO-GFCCVEGCSA-N 1 1 272.820 2.756 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001034497876 780984291 /nfs/dbraw/zinc/98/42/91/780984291.db2.gz HHPYUGIESATIJO-GFCCVEGCSA-N 1 1 272.820 2.756 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(F)cc2F)C1 ZINC001034509989 780988681 /nfs/dbraw/zinc/98/86/81/780988681.db2.gz BDYRMHLVXVWVAM-ZDUSSCGKSA-N 1 1 294.345 2.735 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C)cc2C)C1 ZINC001034518556 780993216 /nfs/dbraw/zinc/99/32/16/780993216.db2.gz KTHPKJLELAIJMD-KRWDZBQOSA-N 1 1 298.430 2.911 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)C1 ZINC001034535170 780994132 /nfs/dbraw/zinc/99/41/32/780994132.db2.gz 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C=CCC[C@H](C)[N@H+]1CC[C@](C)(NC(=O)c2ccccn2)C1 ZINC001278349882 781604832 /nfs/dbraw/zinc/60/48/32/781604832.db2.gz NLPTVXUGWZQZMY-YOEHRIQHSA-N 1 1 287.407 2.631 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001079694514 781615352 /nfs/dbraw/zinc/61/53/52/781615352.db2.gz FCYPEDALDTUBPM-OWCLPIDISA-N 1 1 290.451 2.969 20 30 CFEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001079752249 781617937 /nfs/dbraw/zinc/61/79/37/781617937.db2.gz AUUACXXUBSEVSZ-BRWVUGGUSA-N 1 1 288.435 2.583 20 30 CFEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001079751398 781618034 /nfs/dbraw/zinc/61/80/34/781618034.db2.gz TYVNEYSLPQRMRS-BRWVUGGUSA-N 1 1 288.435 2.583 20 30 CFEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CCCCCCC2)C1 ZINC001080099356 781636444 /nfs/dbraw/zinc/63/64/44/781636444.db2.gz GPXOZXQMLIRHFO-NVXWUHKLSA-N 1 1 290.451 2.807 20 30 CFEDMO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001080299138 781644662 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20 30 CFEDMO CC[C@@H]([NH2+]Cc1ccncc1C#N)c1c(C)nn(C)c1C ZINC000592097640 349082393 /nfs/dbraw/zinc/08/23/93/349082393.db2.gz AHFCRKDIPAFIAY-OAHLLOKOSA-N 1 1 283.379 2.545 20 30 CFEDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592106027 349083077 /nfs/dbraw/zinc/08/30/77/349083077.db2.gz NICGOWKYAGVRBX-AWEZNQCLSA-N 1 1 273.380 2.592 20 30 CFEDMO N#Cc1cnccc1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000592102624 349083652 /nfs/dbraw/zinc/08/36/52/349083652.db2.gz SXZSZGPMSHWSOQ-HNNXBMFYSA-N 1 1 293.370 2.854 20 30 CFEDMO N#Cc1cnccc1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC000592102624 349083655 /nfs/dbraw/zinc/08/36/55/349083655.db2.gz SXZSZGPMSHWSOQ-HNNXBMFYSA-N 1 1 293.370 2.854 20 30 CFEDMO CC1(C)CC[N@H+](Cc2ccncc2C#N)CCS1 ZINC000592116668 349085496 /nfs/dbraw/zinc/08/54/96/349085496.db2.gz MOSZGOHEJNHADH-UHFFFAOYSA-N 1 1 261.394 2.671 20 30 CFEDMO CC1(C)CC[N@@H+](Cc2ccncc2C#N)CCS1 ZINC000592116668 349085498 /nfs/dbraw/zinc/08/54/98/349085498.db2.gz MOSZGOHEJNHADH-UHFFFAOYSA-N 1 1 261.394 2.671 20 30 CFEDMO C[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(CCC#N)CC1 ZINC000592135529 349088861 /nfs/dbraw/zinc/08/88/61/349088861.db2.gz TWEYZQMNDNQDNC-GFCCVEGCSA-N 1 1 266.385 2.732 20 30 CFEDMO N#CCCC[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000592138904 349090028 /nfs/dbraw/zinc/09/00/28/349090028.db2.gz FKCAEITVNOWBRE-QGZVFWFLSA-N 1 1 272.392 2.953 20 30 CFEDMO N#CC[C@@]1(O)CC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000592147590 349091117 /nfs/dbraw/zinc/09/11/17/349091117.db2.gz QIVGZYNNVJAFOD-CYBMUJFWSA-N 1 1 284.281 2.556 20 30 CFEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000592147590 349091118 /nfs/dbraw/zinc/09/11/18/349091118.db2.gz QIVGZYNNVJAFOD-CYBMUJFWSA-N 1 1 284.281 2.556 20 30 CFEDMO C[C@@H]1CCC[C@H](CC[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592151380 349091468 /nfs/dbraw/zinc/09/14/68/349091468.db2.gz NXUZSMBNFXEILY-KFWWJZLASA-N 1 1 250.386 2.553 20 30 CFEDMO N#CC[C@@]1(O)CC[N@H+]([C@H]2CCc3c2cccc3Cl)C1 ZINC000592151286 349091671 /nfs/dbraw/zinc/09/16/71/349091671.db2.gz LHSNLHCLEXGYJZ-LSDHHAIUSA-N 1 1 276.767 2.678 20 30 CFEDMO N#CC[C@@]1(O)CC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000592151896 349092352 /nfs/dbraw/zinc/09/23/52/349092352.db2.gz ROCPQKVFTUSQLC-HZPDHXFCSA-N 1 1 274.339 2.554 20 30 CFEDMO C[C@H](C[N@H+]1CC[C@@](O)(CC#N)C1)c1cccc(Cl)c1 ZINC000592153794 349092563 /nfs/dbraw/zinc/09/25/63/349092563.db2.gz OXNSUZQJOZLJTL-DOMZBBRYSA-N 1 1 278.783 2.794 20 30 CFEDMO CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592153829 349092682 /nfs/dbraw/zinc/09/26/82/349092682.db2.gz PHNHMYWRESIXNI-QGZVFWFLSA-N 1 1 287.407 2.618 20 30 CFEDMO C[C@@H](c1ccc2c(c1)CCC2)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152774 349092769 /nfs/dbraw/zinc/09/27/69/349092769.db2.gz CXNMKNACSLTXRB-GUYCJALGSA-N 1 1 270.376 2.587 20 30 CFEDMO CC1(C)CCC(C[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592152183 349092799 /nfs/dbraw/zinc/09/27/99/349092799.db2.gz UQMKCQURRFAXAS-OAHLLOKOSA-N 1 1 250.386 2.553 20 30 CFEDMO C[C@@H]1CC2(C[N@H+]1Cc1ccccc1C#N)CCOCC2 ZINC000592182966 349095896 /nfs/dbraw/zinc/09/58/96/349095896.db2.gz FIVZAMKPLZGECV-CQSZACIVSA-N 1 1 270.376 2.949 20 30 CFEDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(C#N)cc1)CCOCC2 ZINC000592185074 349096908 /nfs/dbraw/zinc/09/69/08/349096908.db2.gz UXJXOACZUGSYGF-AWEZNQCLSA-N 1 1 270.376 2.949 20 30 CFEDMO CC[N@H+](Cc1cncnc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000592498340 349128335 /nfs/dbraw/zinc/12/83/35/349128335.db2.gz VUMGHRFZMRAXRL-CYBMUJFWSA-N 1 1 296.374 2.940 20 30 CFEDMO CC[N@@H+](Cc1cncnc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000592498340 349128337 /nfs/dbraw/zinc/12/83/37/349128337.db2.gz VUMGHRFZMRAXRL-CYBMUJFWSA-N 1 1 296.374 2.940 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC000592505883 349129010 /nfs/dbraw/zinc/12/90/10/349129010.db2.gz GBBFZBNAIDEILO-ZDUSSCGKSA-N 1 1 272.352 2.770 20 30 CFEDMO Cc1ccccc1-n1cc(C[NH2+]CC(C)(C)C#N)cn1 ZINC000592506567 349129018 /nfs/dbraw/zinc/12/90/18/349129018.db2.gz AZBVUJAKCGJDNR-UHFFFAOYSA-N 1 1 268.364 2.820 20 30 CFEDMO CC1(C)C[N@@H+](Cc2cnc3c(C#N)cnn3c2)[C@H]2CCC[C@@H]21 ZINC000592514759 349130761 /nfs/dbraw/zinc/13/07/61/349130761.db2.gz ISIHEBKTQAZSSZ-GJZGRUSLSA-N 1 1 295.390 2.611 20 30 CFEDMO CC(C)C1CCC(C[N@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592522270 349132490 /nfs/dbraw/zinc/13/24/90/349132490.db2.gz KIABYGJSKHXQJV-UYSNPLJNSA-N 1 1 264.413 2.799 20 30 CFEDMO COc1ccc2ccccc2c1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592523527 349133634 /nfs/dbraw/zinc/13/36/34/349133634.db2.gz NWDOBXLZDJTYCE-GOSISDBHSA-N 1 1 296.370 2.699 20 30 CFEDMO C[N@H+](CCOC(C)(C)C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593017569 349187912 /nfs/dbraw/zinc/18/79/12/349187912.db2.gz BXYHOXBOQUAJDT-UHFFFAOYSA-N 1 1 291.351 2.713 20 30 CFEDMO C[N@@H+](CCOC(C)(C)C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593017569 349187913 /nfs/dbraw/zinc/18/79/13/349187913.db2.gz BXYHOXBOQUAJDT-UHFFFAOYSA-N 1 1 291.351 2.713 20 30 CFEDMO Cc1cncc(CC[N@H+](C)[C@H](C)c2cccc(C#N)c2)n1 ZINC000593034823 349190703 /nfs/dbraw/zinc/19/07/03/349190703.db2.gz JOUBXAZTPOEVFX-CQSZACIVSA-N 1 1 280.375 2.892 20 30 CFEDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C ZINC000593036227 349191217 /nfs/dbraw/zinc/19/12/17/349191217.db2.gz QVMPRQFXECZWTR-UTUOFQBUSA-N 1 1 273.336 2.943 20 30 CFEDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000593095176 349208107 /nfs/dbraw/zinc/20/81/07/349208107.db2.gz KZGSPEIKKDMLDJ-ZDUSSCGKSA-N 1 1 278.396 2.876 20 30 CFEDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1CC1(C#N)CC1 ZINC000593095176 349208109 /nfs/dbraw/zinc/20/81/09/349208109.db2.gz KZGSPEIKKDMLDJ-ZDUSSCGKSA-N 1 1 278.396 2.876 20 30 CFEDMO C[C@H](CCO)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000593107896 349210498 /nfs/dbraw/zinc/21/04/98/349210498.db2.gz KCFWCZPOOOIFQR-SNVBAGLBSA-N 1 1 297.196 2.523 20 30 CFEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593116811 349213675 /nfs/dbraw/zinc/21/36/75/349213675.db2.gz ISEITCBAVDEPNK-CYBMUJFWSA-N 1 1 266.266 2.928 20 30 CFEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593116811 349213679 /nfs/dbraw/zinc/21/36/79/349213679.db2.gz ISEITCBAVDEPNK-CYBMUJFWSA-N 1 1 266.266 2.928 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000593040164 349192623 /nfs/dbraw/zinc/19/26/23/349192623.db2.gz ZGLGSULSEJNSRR-UHFFFAOYSA-N 1 1 271.320 2.985 20 30 CFEDMO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)C2(CCC2)CO1 ZINC000593090677 349206386 /nfs/dbraw/zinc/20/63/86/349206386.db2.gz CJOLTAXEBKJWPW-AWEZNQCLSA-N 1 1 286.375 2.580 20 30 CFEDMO C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)C2(CCC2)CO1 ZINC000593090677 349206389 /nfs/dbraw/zinc/20/63/89/349206389.db2.gz CJOLTAXEBKJWPW-AWEZNQCLSA-N 1 1 286.375 2.580 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593091857 349206785 /nfs/dbraw/zinc/20/67/85/349206785.db2.gz NEWQWVHEXBOMGN-HUUCEWRRSA-N 1 1 297.439 2.900 20 30 CFEDMO C=CCOCC[N@@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000593093729 349207580 /nfs/dbraw/zinc/20/75/80/349207580.db2.gz FHICZXBSMFTXEM-CQSZACIVSA-N 1 1 283.412 2.775 20 30 CFEDMO CC[C@H](C#N)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000593567874 349293408 /nfs/dbraw/zinc/29/34/08/349293408.db2.gz CXMLEMOJSUSZKX-YQQAZPJKSA-N 1 1 299.418 2.658 20 30 CFEDMO CC[C@H](C#N)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000593567874 349293411 /nfs/dbraw/zinc/29/34/11/349293411.db2.gz CXMLEMOJSUSZKX-YQQAZPJKSA-N 1 1 299.418 2.658 20 30 CFEDMO CC[C@@H](C#N)C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000593403417 349261613 /nfs/dbraw/zinc/26/16/13/349261613.db2.gz NXGBDNAOKBWOHT-INIZCTEOSA-N 1 1 299.418 2.579 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCCc3ccccc3C2)nc1 ZINC000593958336 349340192 /nfs/dbraw/zinc/34/01/92/349340192.db2.gz JTIIVWPPUQFIHZ-UHFFFAOYSA-N 1 1 263.344 2.902 20 30 CFEDMO CCC1(CC)[C@H]([N@@H+](C)Cc2ccc(C#N)cn2)C[C@@H]1OC ZINC000593965316 349341625 /nfs/dbraw/zinc/34/16/25/349341625.db2.gz DEGGKHDEEMEJFP-CVEARBPZSA-N 1 1 287.407 2.979 20 30 CFEDMO C=CCCn1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)nn1 ZINC000593971629 349342462 /nfs/dbraw/zinc/34/24/62/349342462.db2.gz LIVIDLCCXDUTKS-CYBMUJFWSA-N 1 1 281.363 2.577 20 30 CFEDMO CN(C(=O)CCCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000593995572 349348551 /nfs/dbraw/zinc/34/85/51/349348551.db2.gz XQKVBLUKFSIZMP-KRWDZBQOSA-N 1 1 299.418 2.803 20 30 CFEDMO Cc1cnn(-c2cc[nH+]cc2NC(=O)CCCCC#N)c1 ZINC000593998284 349349342 /nfs/dbraw/zinc/34/93/42/349349342.db2.gz FSGOLTRQWYOXLB-UHFFFAOYSA-N 1 1 283.335 2.598 20 30 CFEDMO CC[C@@H](CC#N)[NH2+][C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000594010040 349352866 /nfs/dbraw/zinc/35/28/66/349352866.db2.gz WNXBIVWYLUIPAE-ZBFHGGJFSA-N 1 1 287.407 2.705 20 30 CFEDMO CC[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000594010039 349353020 /nfs/dbraw/zinc/35/30/20/349353020.db2.gz WNXBIVWYLUIPAE-HOCLYGCPSA-N 1 1 287.407 2.705 20 30 CFEDMO N#CC1(C[NH2+]Cc2ccc3c(c2)OCCO3)CCCC1 ZINC000593652565 349303851 /nfs/dbraw/zinc/30/38/51/349303851.db2.gz HFCSYKLBCPAZMA-UHFFFAOYSA-N 1 1 272.348 2.631 20 30 CFEDMO COc1cc(C)c(C[NH2+]CC2(C#N)CCCC2)c(C)n1 ZINC000593653521 349305192 /nfs/dbraw/zinc/30/51/92/349305192.db2.gz OTHCMKJKIBOJML-UHFFFAOYSA-N 1 1 273.380 2.881 20 30 CFEDMO CC[C@@H](CC#N)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000594339807 349409069 /nfs/dbraw/zinc/40/90/69/349409069.db2.gz BOTRBYUNCYRENK-KBPBESRZSA-N 1 1 293.798 2.751 20 30 CFEDMO Cc1cc(C#N)ccc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594195995 349393135 /nfs/dbraw/zinc/39/31/35/349393135.db2.gz JXAAOZMKPNQSHE-IRXDYDNUSA-N 1 1 297.402 2.613 20 30 CFEDMO CC[N@@H+](C)Cc1cccc(CNC(=O)CCCCC#N)c1 ZINC000594246767 349400106 /nfs/dbraw/zinc/40/01/06/349400106.db2.gz UTMSKAJWMHQIHY-UHFFFAOYSA-N 1 1 287.407 2.838 20 30 CFEDMO CCOC(=O)CC[N@@H+](Cc1ccc(C#N)s1)C(C)C ZINC000594051606 349364233 /nfs/dbraw/zinc/36/42/33/349364233.db2.gz RXHOOFYCIZZMRQ-UHFFFAOYSA-N 1 1 280.393 2.783 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000594052804 349365163 /nfs/dbraw/zinc/36/51/63/349365163.db2.gz XCIUVZDERJDOFQ-AWEZNQCLSA-N 1 1 283.412 2.510 20 30 CFEDMO C=CCC[C@H](O)C[N@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000594052804 349365164 /nfs/dbraw/zinc/36/51/64/349365164.db2.gz XCIUVZDERJDOFQ-AWEZNQCLSA-N 1 1 283.412 2.510 20 30 CFEDMO CCOC(=O)CC[N@@H+](CCC(C)(C)C#N)C(C)C ZINC000594053720 349365263 /nfs/dbraw/zinc/36/52/63/349365263.db2.gz PBARELSDVDZBJY-UHFFFAOYSA-N 1 1 254.374 2.590 20 30 CFEDMO CC[C@H](C#N)N(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594094458 349375721 /nfs/dbraw/zinc/37/57/21/349375721.db2.gz KLSSUBUMXRCFFU-DLBZAZTESA-N 1 1 299.418 2.659 20 30 CFEDMO Cc1csc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1C#N ZINC000594111065 349379947 /nfs/dbraw/zinc/37/99/47/349379947.db2.gz QHGLZJYHWWXWRK-WDEREUQCSA-N 1 1 292.408 2.532 20 30 CFEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2cc[nH]n2)cc1 ZINC000594498317 349431181 /nfs/dbraw/zinc/43/11/81/349431181.db2.gz KTDKUMWIWYDBDI-UHFFFAOYSA-N 1 1 254.337 2.501 20 30 CFEDMO N#Cc1cccc(C2([NH2+][C@@H]3CCCn4ccnc43)CC2)c1 ZINC000594498730 349431194 /nfs/dbraw/zinc/43/11/94/349431194.db2.gz 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CC(C)n1ncnc1C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000601118964 350673259 /nfs/dbraw/zinc/67/32/59/350673259.db2.gz SCVFDMNVJVGVED-HNNXBMFYSA-N 1 1 281.363 2.508 20 30 CFEDMO CN(c1ncc(C#N)c2ccsc21)[C@H]1CC[N@H+](C2CC2)C1 ZINC000601115759 350672188 /nfs/dbraw/zinc/67/21/88/350672188.db2.gz KDVYUEKJFXUIAV-ZDUSSCGKSA-N 1 1 298.415 2.841 20 30 CFEDMO Cc1ccc(C[N@H+]2CC[C@H](Nc3cnccc3C#N)C2)cc1 ZINC000601250046 350708958 /nfs/dbraw/zinc/70/89/58/350708958.db2.gz JMEXZOCTBWPRDK-KRWDZBQOSA-N 1 1 292.386 2.948 20 30 CFEDMO CC[N@H+]1CCN(c2ncc(C#N)c3ccsc32)C[C@H]1C ZINC000601135195 350678283 /nfs/dbraw/zinc/67/82/83/350678283.db2.gz RVOKZVKTQHOVHH-LLVKDONJSA-N 1 1 286.404 2.698 20 30 CFEDMO C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601179152 350690405 /nfs/dbraw/zinc/69/04/05/350690405.db2.gz NIMBMGGVXNWCRL-ZBEGNZNMSA-N 1 1 299.330 2.568 20 30 CFEDMO CC[C@H]1C[N@@H+](C)CCCN1c1nc(C#N)c(Cl)s1 ZINC000601188073 350692160 /nfs/dbraw/zinc/69/21/60/350692160.db2.gz 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ZINC000601976432 350822323 /nfs/dbraw/zinc/82/23/23/350822323.db2.gz PXPRNBJYJFGOHF-FZMZJTMJSA-N 1 1 280.318 2.975 20 30 CFEDMO CN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000601817656 350784681 /nfs/dbraw/zinc/78/46/81/350784681.db2.gz JWCRLQLXSHCZFN-GOEBONIOSA-N 1 1 291.439 2.792 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601976431 350822536 /nfs/dbraw/zinc/82/25/36/350822536.db2.gz PXPRNBJYJFGOHF-BXUZGUMPSA-N 1 1 280.318 2.975 20 30 CFEDMO CN1CCCC[C@H]([N@@H+](C)CCC2(C#N)CCCCC2)C1=O ZINC000601974532 350822711 /nfs/dbraw/zinc/82/27/11/350822711.db2.gz JYDJFDTUOWQGKS-HNNXBMFYSA-N 1 1 291.439 2.793 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(C)c2)C1 ZINC000601851665 350792184 /nfs/dbraw/zinc/79/21/84/350792184.db2.gz VZQGRHQTXQKBIA-AEFFLSMTSA-N 1 1 299.418 2.625 20 30 CFEDMO CC(C)(C)OC(=O)CC[NH2+]Cc1cccc(F)c1C#N ZINC000602010181 350829701 /nfs/dbraw/zinc/82/97/01/350829701.db2.gz FGDBJKLIIFUSCV-UHFFFAOYSA-N 1 1 278.327 2.519 20 30 CFEDMO CC1(C)SC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000602015429 350832268 /nfs/dbraw/zinc/83/22/68/350832268.db2.gz CZHHGHGFZBCBQC-GFCCVEGCSA-N 1 1 250.342 2.681 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@H]1CNCc1cccc(F)c1C#N ZINC000602029779 350836026 /nfs/dbraw/zinc/83/60/26/350836026.db2.gz XNXSRJCSZRCTSF-ZDUSSCGKSA-N 1 1 275.371 2.660 20 30 CFEDMO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cccc(F)c1C#N ZINC000602029779 350836029 /nfs/dbraw/zinc/83/60/29/350836029.db2.gz XNXSRJCSZRCTSF-ZDUSSCGKSA-N 1 1 275.371 2.660 20 30 CFEDMO CN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000602055267 350836625 /nfs/dbraw/zinc/83/66/25/350836625.db2.gz WKJDJXDINGHHLN-QGZVFWFLSA-N 1 1 297.402 2.534 20 30 CFEDMO CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(F)c(C#N)c1 ZINC000602098769 350840266 /nfs/dbraw/zinc/84/02/66/350840266.db2.gz XDCIDHMGUYFEPJ-UHFFFAOYSA-N 1 1 286.310 2.656 20 30 CFEDMO CC(C)c1[nH+]ccn1CC(=O)Nc1cc(F)cc(C#N)c1 ZINC000602200287 350851436 /nfs/dbraw/zinc/85/14/36/350851436.db2.gz ZPRXNXICRNBXNH-UHFFFAOYSA-N 1 1 286.310 2.656 20 30 CFEDMO CC[N@H+]1CCC[C@@H](CNCc2cccc(F)c2C#N)C1 ZINC000602002849 350827267 /nfs/dbraw/zinc/82/72/67/350827267.db2.gz BQQOFOOGJUGZGH-ZDUSSCGKSA-N 1 1 275.371 2.519 20 30 CFEDMO CCC[N@H+]1CC[C@H](CNCc2cccc(F)c2C#N)C1 ZINC000602007118 350828985 /nfs/dbraw/zinc/82/89/85/350828985.db2.gz MTMDORPVUXLWHG-CYBMUJFWSA-N 1 1 275.371 2.519 20 30 CFEDMO N#Cc1cccc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)n1 ZINC000602478211 350898541 /nfs/dbraw/zinc/89/85/41/350898541.db2.gz WMHGTAJWKWYKGH-KRWDZBQOSA-N 1 1 285.391 2.877 20 30 CFEDMO CC[C@@H]1C[N@@H+](C[C@H](C)CCC#N)CCN1CC(F)F ZINC000602479119 350899835 /nfs/dbraw/zinc/89/98/35/350899835.db2.gz FNICSJFRHADQLA-CHWSQXEVSA-N 1 1 273.371 2.588 20 30 CFEDMO CCO[C@@H](C)c1noc(C[N@H+](C)C[C@H](C)CCC#N)n1 ZINC000602482917 350900857 /nfs/dbraw/zinc/90/08/57/350900857.db2.gz HYJXHHOVHHIOEX-NEPJUHHUSA-N 1 1 280.372 2.539 20 30 CFEDMO CCO[C@@H](C)c1noc(C[N@@H+](C)C[C@H](C)CCC#N)n1 ZINC000602482917 350900861 /nfs/dbraw/zinc/90/08/61/350900861.db2.gz HYJXHHOVHHIOEX-NEPJUHHUSA-N 1 1 280.372 2.539 20 30 CFEDMO Cc1cc[nH+]c(N[C@H](C)CC2(C#N)CCOCC2)c1 ZINC000602520967 350912911 /nfs/dbraw/zinc/91/29/11/350912911.db2.gz LGQTWMBCGLPOBP-CYBMUJFWSA-N 1 1 259.353 2.901 20 30 CFEDMO CCCCN1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602536273 350916613 /nfs/dbraw/zinc/91/66/13/350916613.db2.gz SRRJPZGMQQTNFL-UHFFFAOYSA-N 1 1 263.429 2.923 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000602584484 350935637 /nfs/dbraw/zinc/93/56/37/350935637.db2.gz CPEIQZAVRHVRJW-HIFRSBDPSA-N 1 1 250.386 2.817 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(=O)OCC)[nH]1 ZINC000602427755 350878338 /nfs/dbraw/zinc/87/83/38/350878338.db2.gz ACQIMYLDGTXMHV-UHFFFAOYSA-N 1 1 250.342 2.589 20 30 CFEDMO C=CC[NH+](CC=C)Cc1cc(C(=O)OC)cs1 ZINC000602428787 350878458 /nfs/dbraw/zinc/87/84/58/350878458.db2.gz KCRZTPHBEFDTLP-UHFFFAOYSA-N 1 1 251.351 2.709 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000602434780 350881881 /nfs/dbraw/zinc/88/18/81/350881881.db2.gz 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CC#CC[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000157470404 378655539 /nfs/dbraw/zinc/65/55/39/378655539.db2.gz AXVMINWSVGWLJV-UHFFFAOYSA-N 1 1 297.324 2.636 20 30 CFEDMO COc1ccc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1C#N ZINC000331286013 378662661 /nfs/dbraw/zinc/66/26/61/378662661.db2.gz MAHVLJFGWKVORY-WOSRLPQWSA-N 1 1 288.391 2.548 20 30 CFEDMO CC#CCC[N@H+](CC)[C@H]1CCN(Cc2ccccc2)C1 ZINC000158114964 378664993 /nfs/dbraw/zinc/66/49/93/378664993.db2.gz LEHFNWVQFCIAOB-SFHVURJKSA-N 1 1 270.420 2.996 20 30 CFEDMO CC#CCCN(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000158114964 378665000 /nfs/dbraw/zinc/66/50/00/378665000.db2.gz LEHFNWVQFCIAOB-SFHVURJKSA-N 1 1 270.420 2.996 20 30 CFEDMO CC#CCCN(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000158114964 378665008 /nfs/dbraw/zinc/66/50/08/378665008.db2.gz LEHFNWVQFCIAOB-SFHVURJKSA-N 1 1 270.420 2.996 20 30 CFEDMO CS[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000331353305 378676046 /nfs/dbraw/zinc/67/60/46/378676046.db2.gz ZYVAIWVBBFUFDI-OLZOCXBDSA-N 1 1 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CUZAXRVANFGVOL-KRWDZBQOSA-N 1 1 270.376 2.854 20 30 CFEDMO Cc1ccc(C#N)c(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC000160593278 378784238 /nfs/dbraw/zinc/78/42/38/378784238.db2.gz BOABUAFORRTFJA-GXTWGEPZSA-N 1 1 272.396 2.794 20 30 CFEDMO C[C@H]1C[C@@H](N(C)Cc2cc(F)ccc2C#N)CC[N@H+]1C ZINC000160591951 378784392 /nfs/dbraw/zinc/78/43/92/378784392.db2.gz ZADQNEYLVJEBOO-LRDDRELGSA-N 1 1 275.371 2.612 20 30 CFEDMO CCC[N@@H+](CCO)Cc1cccc(OCCCC#N)c1 ZINC000161209878 378831226 /nfs/dbraw/zinc/83/12/26/378831226.db2.gz LDZJEYYQUKSLJP-UHFFFAOYSA-N 1 1 276.380 2.573 20 30 CFEDMO C=CCC[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccco1 ZINC000278487357 194007899 /nfs/dbraw/zinc/00/78/99/194007899.db2.gz BEZCAKLQAYZMAV-MRXNPFEDSA-N 1 1 291.439 2.514 20 30 CFEDMO Cc1ccc(C#N)c(N(C)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000161592058 378857759 /nfs/dbraw/zinc/85/77/59/378857759.db2.gz IYIPTHAYDKPPBX-HNNXBMFYSA-N 1 1 272.396 2.572 20 30 CFEDMO C=CCN(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000161612676 378860940 /nfs/dbraw/zinc/86/09/40/378860940.db2.gz LJXXHHXENFCSMF-INIZCTEOSA-N 1 1 272.392 2.543 20 30 CFEDMO C[N@@H+](CCC1CCOCC1)Cc1cc(F)ccc1C#N ZINC000162022236 378889341 /nfs/dbraw/zinc/88/93/41/378889341.db2.gz OACUSZCXCPMWKO-UHFFFAOYSA-N 1 1 276.355 2.946 20 30 CFEDMO C=CCNC(=O)C[NH2+][C@@H](CC)c1cccc(Cl)c1F ZINC000162136752 378895826 /nfs/dbraw/zinc/89/58/26/378895826.db2.gz HZBOFKSMDNGGEE-LBPRGKRZSA-N 1 1 284.762 2.822 20 30 CFEDMO N#Cc1cc(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000166350324 379052279 /nfs/dbraw/zinc/05/22/79/379052279.db2.gz IPYTZAOPKMLXJI-LLVKDONJSA-N 1 1 297.318 2.574 20 30 CFEDMO C#C[C@H](C)[NH2+]Cc1cc(OC)ccc1Br ZINC000166696334 379059814 /nfs/dbraw/zinc/05/98/14/379059814.db2.gz SNZGKDNNRPFYGH-VIFPVBQESA-N 1 1 268.154 2.569 20 30 CFEDMO C[C@H]1CCCC[N@H+]1Cc1cnc2ccc(C#N)cn12 ZINC000334322200 379091362 /nfs/dbraw/zinc/09/13/62/379091362.db2.gz XRKYBKOWGFVLFJ-LBPRGKRZSA-N 1 1 254.337 2.580 20 30 CFEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C[C@@H]1O ZINC000334315474 379079207 /nfs/dbraw/zinc/07/92/07/379079207.db2.gz QWEWEZSLCBRVLM-KBPBESRZSA-N 1 1 278.421 2.849 20 30 CFEDMO CC(C)(C#N)CN[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000168925755 379100573 /nfs/dbraw/zinc/10/05/73/379100573.db2.gz ZRJKQAZDLJMLSM-MRXNPFEDSA-N 1 1 271.408 2.790 20 30 CFEDMO CC(C)(C#N)CN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000168925755 379100579 /nfs/dbraw/zinc/10/05/79/379100579.db2.gz ZRJKQAZDLJMLSM-MRXNPFEDSA-N 1 1 271.408 2.790 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1F ZINC000334345322 379129232 /nfs/dbraw/zinc/12/92/32/379129232.db2.gz OPHXVMUARRYLKF-HOTGVXAUSA-N 1 1 274.339 2.841 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000335366562 379169062 /nfs/dbraw/zinc/16/90/62/379169062.db2.gz CEIUTXPPHOBZGP-IRXDYDNUSA-N 1 1 270.376 2.949 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)NCc1cccc(Cl)c1 ZINC000048617501 412909849 /nfs/dbraw/zinc/90/98/49/412909849.db2.gz NRJAWPUWSXXNDE-UHFFFAOYSA-N 1 1 280.799 2.854 20 30 CFEDMO C=C[C@H](CO)[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000289450976 197352769 /nfs/dbraw/zinc/35/27/69/197352769.db2.gz BOUJBUHINCCBNJ-SNVBAGLBSA-N 1 1 279.689 2.995 20 30 CFEDMO CCC[N@@H+](CCCCCO)Cc1ccc(C#N)cc1 ZINC000171144496 379245056 /nfs/dbraw/zinc/24/50/56/379245056.db2.gz BRXMNJCOADVJSD-UHFFFAOYSA-N 1 1 260.381 2.933 20 30 CFEDMO C=CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC000636170958 383735773 /nfs/dbraw/zinc/73/57/73/383735773.db2.gz CVMLQYNZWRTMKN-AWEZNQCLSA-N 1 1 275.396 2.821 20 30 CFEDMO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000334473211 379360407 /nfs/dbraw/zinc/36/04/07/379360407.db2.gz IYOZHIVFVVJGKB-KDOFPFPSSA-N 1 1 282.387 2.982 20 30 CFEDMO CCC[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000571891953 383736214 /nfs/dbraw/zinc/73/62/14/383736214.db2.gz OQNJYWNZNBBYAA-GVDBMIGSSA-N 1 1 299.418 2.979 20 30 CFEDMO NC(=[NH+]OCc1nc(-c2ccsc2)no1)C1CCCC1 ZINC000171988681 379461460 /nfs/dbraw/zinc/46/14/60/379461460.db2.gz ZTCNXNBWGKXZHE-UHFFFAOYSA-N 1 1 292.364 2.777 20 30 CFEDMO CC1(C)COCC[N@@H+]1CCNc1cc(Cl)ccc1C#N ZINC000172409915 379560667 /nfs/dbraw/zinc/56/06/67/379560667.db2.gz GODULSODCJNHCR-UHFFFAOYSA-N 1 1 293.798 2.734 20 30 CFEDMO CC1(C)COCC[N@H+]1CCNc1cc(Cl)ccc1C#N ZINC000172409915 379560671 /nfs/dbraw/zinc/56/06/71/379560671.db2.gz GODULSODCJNHCR-UHFFFAOYSA-N 1 1 293.798 2.734 20 30 CFEDMO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[S@@](=O)C1 ZINC000334643620 379694735 /nfs/dbraw/zinc/69/47/35/379694735.db2.gz BFJNHTQTDJBXQC-IFXJQAMLSA-N 1 1 282.453 2.551 20 30 CFEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[S@@](=O)C1 ZINC000334643620 379694740 /nfs/dbraw/zinc/69/47/40/379694740.db2.gz BFJNHTQTDJBXQC-IFXJQAMLSA-N 1 1 282.453 2.551 20 30 CFEDMO C=CCCC[N@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172829507 379654094 /nfs/dbraw/zinc/65/40/94/379654094.db2.gz XVRXIXMZBXRPLX-HNNXBMFYSA-N 1 1 274.364 2.910 20 30 CFEDMO N#Cc1c(Cl)cccc1N[C@H]1CCn2cc[nH+]c2C1 ZINC000334646201 379700031 /nfs/dbraw/zinc/70/00/31/379700031.db2.gz HZCXQARLZBPTIK-JTQLQIEISA-N 1 1 272.739 2.835 20 30 CFEDMO N#Cc1csc(C[N@H+]2CCC[C@H]3COCC[C@H]32)c1 ZINC000335659737 379675740 /nfs/dbraw/zinc/67/57/40/379675740.db2.gz QTWIRXJVIYKQKQ-GXTWGEPZSA-N 1 1 262.378 2.621 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1 ZINC000334637762 379680476 /nfs/dbraw/zinc/68/04/76/379680476.db2.gz XHJJTKOXZWHGED-KRWDZBQOSA-N 1 1 297.402 2.535 20 30 CFEDMO C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(C#N)c(F)c1 ZINC000335727690 379792952 /nfs/dbraw/zinc/79/29/52/379792952.db2.gz GSSAURHOBBIDLE-MFKMUULPSA-N 1 1 284.338 2.629 20 30 CFEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCSCC#N)C1(C)C ZINC000173898406 379795045 /nfs/dbraw/zinc/79/50/45/379795045.db2.gz NTDNWPLICLMWEZ-QWHCGFSZSA-N 1 1 270.442 2.769 20 30 CFEDMO COc1cc(C[N@H+]2CCS[C@H](C)CC2)ccc1C#N ZINC000335774012 379866997 /nfs/dbraw/zinc/86/69/97/379866997.db2.gz QGZJFPMSAKAPNS-GFCCVEGCSA-N 1 1 276.405 2.894 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(C)(C)C#N)C1 ZINC000335794338 379899666 /nfs/dbraw/zinc/89/96/66/379899666.db2.gz DJRXGJIXAIEEPV-HUUCEWRRSA-N 1 1 263.429 2.875 20 30 CFEDMO CC[C@H]1C[N@@H+](Cc2cc(C#N)cs2)CCCO1 ZINC000335816155 379936646 /nfs/dbraw/zinc/93/66/46/379936646.db2.gz UXIQOUZQZKNPBU-LBPRGKRZSA-N 1 1 250.367 2.621 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000175250883 380029063 /nfs/dbraw/zinc/02/90/63/380029063.db2.gz DGSXTFVELBXQNE-STQMWFEESA-N 1 1 295.452 2.915 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000335899489 380074287 /nfs/dbraw/zinc/07/42/87/380074287.db2.gz OROAGHYAWOPHCC-JKSUJKDBSA-N 1 1 264.413 2.533 20 30 CFEDMO CCc1cnc(C[N@H+](C)CCCSCC#N)s1 ZINC000175523422 380081382 /nfs/dbraw/zinc/08/13/82/380081382.db2.gz BBKDBJHIJDQQGS-UHFFFAOYSA-N 1 1 269.439 2.784 20 30 CFEDMO CCc1cnc(C[N@@H+](C)CCCSCC#N)s1 ZINC000175523422 380081386 /nfs/dbraw/zinc/08/13/86/380081386.db2.gz BBKDBJHIJDQQGS-UHFFFAOYSA-N 1 1 269.439 2.784 20 30 CFEDMO Cc1cc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)ccc1C#N ZINC000335226703 380040604 /nfs/dbraw/zinc/04/06/04/380040604.db2.gz BPCUKIUVUWGICW-HOTGVXAUSA-N 1 1 288.416 2.573 20 30 CFEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1CC#Cc1cccc(Cl)c1 ZINC000335975343 380183368 /nfs/dbraw/zinc/18/33/68/380183368.db2.gz NFNJAIIKOQMFQA-KBPBESRZSA-N 1 1 276.811 2.716 20 30 CFEDMO C/C=C(\C)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000176265338 380205854 /nfs/dbraw/zinc/20/58/54/380205854.db2.gz ZHRHPHUJELGOBA-CRKCGEKBSA-N 1 1 297.402 2.559 20 30 CFEDMO Cc1cnn([C@H]2CC[N@H+](Cc3cccc(C#N)c3F)C2)c1 ZINC000336006667 380227218 /nfs/dbraw/zinc/22/72/18/380227218.db2.gz WDCLJNSATNBGBJ-HNNXBMFYSA-N 1 1 284.338 2.649 20 30 CFEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3cccc(C#N)c3F)C2)c1 ZINC000336006667 380227227 /nfs/dbraw/zinc/22/72/27/380227227.db2.gz WDCLJNSATNBGBJ-HNNXBMFYSA-N 1 1 284.338 2.649 20 30 CFEDMO N#C[C@H]1CC[C@@H](N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000336335929 380323878 /nfs/dbraw/zinc/32/38/78/380323878.db2.gz FAMRJFYPXCBAEY-UONOGXRCSA-N 1 1 275.421 2.558 20 30 CFEDMO N#C[C@H]1CC[C@@H]([NH+]2CCN(Cc3cccs3)CC2)C1 ZINC000336335929 380323882 /nfs/dbraw/zinc/32/38/82/380323882.db2.gz FAMRJFYPXCBAEY-UONOGXRCSA-N 1 1 275.421 2.558 20 30 CFEDMO COc1ccc2c(c1)CC[N@@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000336363145 380330586 /nfs/dbraw/zinc/33/05/86/380330586.db2.gz DTEYHPWSISRNRJ-CJNGLKHVSA-N 1 1 270.376 2.788 20 30 CFEDMO COc1ccc2c(c1)CC[N@@H+]([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000336363147 380331074 /nfs/dbraw/zinc/33/10/74/380331074.db2.gz DTEYHPWSISRNRJ-CZUORRHYSA-N 1 1 270.376 2.788 20 30 CFEDMO C[C@H](CNC(=O)c1cscc1C#N)[N@H+]1CCCC[C@@H]1C ZINC000432391809 383744610 /nfs/dbraw/zinc/74/46/10/383744610.db2.gz NVTFTPGFNJVWBF-NWDGAFQWSA-N 1 1 291.420 2.612 20 30 CFEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000177738454 380374074 /nfs/dbraw/zinc/37/40/74/380374074.db2.gz ROMBTHFBMBBDET-QGZVFWFLSA-N 1 1 279.343 2.607 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000177738454 380374079 /nfs/dbraw/zinc/37/40/79/380374079.db2.gz ROMBTHFBMBBDET-QGZVFWFLSA-N 1 1 279.343 2.607 20 30 CFEDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc(CC#N)cc2)CC1 ZINC000336510416 380386894 /nfs/dbraw/zinc/38/68/94/380386894.db2.gz QYEBACFVDGMNLO-UHFFFAOYSA-N 1 1 299.418 2.699 20 30 CFEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)[C@@H]1C ZINC000177879004 380388766 /nfs/dbraw/zinc/38/87/66/380388766.db2.gz CVNNLJYOPMJCJE-GHMZBOCLSA-N 1 1 277.393 2.679 20 30 CFEDMO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1O ZINC000336495005 380362717 /nfs/dbraw/zinc/36/27/17/380362717.db2.gz FOMLBZCILVEPLS-IINYFYTJSA-N 1 1 298.308 2.780 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@H]1O ZINC000336495005 380362721 /nfs/dbraw/zinc/36/27/21/380362721.db2.gz FOMLBZCILVEPLS-IINYFYTJSA-N 1 1 298.308 2.780 20 30 CFEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000336530491 380421884 /nfs/dbraw/zinc/42/18/84/380421884.db2.gz SNHNNYRCCNEYBZ-HUUCEWRRSA-N 1 1 288.366 2.946 20 30 CFEDMO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC#Cc1ccccc1Cl ZINC000336600001 380527697 /nfs/dbraw/zinc/52/76/97/380527697.db2.gz XNGPABKRMBNZPL-CHWSQXEVSA-N 1 1 277.795 2.925 20 30 CFEDMO CN(c1ccc(C#N)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336654493 380583679 /nfs/dbraw/zinc/58/36/79/380583679.db2.gz BCLPPACRTQPZST-QGZVFWFLSA-N 1 1 292.386 2.664 20 30 CFEDMO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc(C#N)s1 ZINC000180210855 380634186 /nfs/dbraw/zinc/63/41/86/380634186.db2.gz VHNJGAKUTLFYRJ-AWEZNQCLSA-N 1 1 286.404 2.863 20 30 CFEDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(C#N)s1 ZINC000180210855 380634192 /nfs/dbraw/zinc/63/41/92/380634192.db2.gz VHNJGAKUTLFYRJ-AWEZNQCLSA-N 1 1 286.404 2.863 20 30 CFEDMO C=C(CC)C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000336710025 380603089 /nfs/dbraw/zinc/60/30/89/380603089.db2.gz ORGDTUMHYBMBOA-NSHDSACASA-N 1 1 251.292 2.732 20 30 CFEDMO Cc1cc(C#N)cc(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000336713541 380604637 /nfs/dbraw/zinc/60/46/37/380604637.db2.gz NBSIMNMYCZAEFC-QGZVFWFLSA-N 1 1 292.386 2.948 20 30 CFEDMO C=CCCC[C@@H](C)NC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000180505017 380669658 /nfs/dbraw/zinc/66/96/58/380669658.db2.gz KQRGPGGTGGMWOO-ZIAGYGMSSA-N 1 1 292.427 2.872 20 30 CFEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000181283469 380769575 /nfs/dbraw/zinc/76/95/75/380769575.db2.gz XWDWOJMEDQESBX-SNVBAGLBSA-N 1 1 268.307 2.800 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000181283469 380769578 /nfs/dbraw/zinc/76/95/78/380769578.db2.gz XWDWOJMEDQESBX-SNVBAGLBSA-N 1 1 268.307 2.800 20 30 CFEDMO C[N@H+](Cc1cnn(CC(F)F)c1)Cc1cccc(C#N)c1 ZINC000295361213 380809783 /nfs/dbraw/zinc/80/97/83/380809783.db2.gz NUIZNUIPGJIIIH-UHFFFAOYSA-N 1 1 290.317 2.652 20 30 CFEDMO C[N@@H+](Cc1cnn(CC(F)F)c1)Cc1cccc(C#N)c1 ZINC000295361213 380809788 /nfs/dbraw/zinc/80/97/88/380809788.db2.gz NUIZNUIPGJIIIH-UHFFFAOYSA-N 1 1 290.317 2.652 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@](C)(OC)C1 ZINC000279199050 194329339 /nfs/dbraw/zinc/32/93/39/194329339.db2.gz ANCXZCZPOHVBHG-INIZCTEOSA-N 1 1 274.364 2.568 20 30 CFEDMO C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CCC(=O)N(C)CCC#N ZINC000181571551 380831332 /nfs/dbraw/zinc/83/13/32/380831332.db2.gz ORZLVJTVFKNTCU-RDJZCZTQSA-N 1 1 299.418 2.627 20 30 CFEDMO C[N@H+](Cc1cnn(CC(F)F)c1)Cc1ccc(C#N)cc1 ZINC000295404693 380832432 /nfs/dbraw/zinc/83/24/32/380832432.db2.gz RBKGKFWWSGQKBG-UHFFFAOYSA-N 1 1 290.317 2.652 20 30 CFEDMO C[N@@H+](Cc1cnn(CC(F)F)c1)Cc1ccc(C#N)cc1 ZINC000295404693 380832437 /nfs/dbraw/zinc/83/24/37/380832437.db2.gz RBKGKFWWSGQKBG-UHFFFAOYSA-N 1 1 290.317 2.652 20 30 CFEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNCc1ccc(C#N)cc1 ZINC000341221068 380838459 /nfs/dbraw/zinc/83/84/59/380838459.db2.gz PEQLMWSYEGPFFU-GASCZTMLSA-N 1 1 271.408 2.911 20 30 CFEDMO C[C@@H]1CCC[C@H](C)N1CC[NH2+]Cc1ccc(C#N)cc1 ZINC000341221068 380838464 /nfs/dbraw/zinc/83/84/64/380838464.db2.gz PEQLMWSYEGPFFU-GASCZTMLSA-N 1 1 271.408 2.911 20 30 CFEDMO CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000181663233 380858901 /nfs/dbraw/zinc/85/89/01/380858901.db2.gz CVTVZLDQYYTJMN-KBPBESRZSA-N 1 1 259.397 2.939 20 30 CFEDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181663233 380858903 /nfs/dbraw/zinc/85/89/03/380858903.db2.gz CVTVZLDQYYTJMN-KBPBESRZSA-N 1 1 259.397 2.939 20 30 CFEDMO CC[N@@H+](C[C@@H](C)C#N)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000181668150 380860728 /nfs/dbraw/zinc/86/07/28/380860728.db2.gz QYZKMIDMPIHMPB-AWEZNQCLSA-N 1 1 293.455 2.753 20 30 CFEDMO C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358561597 380929159 /nfs/dbraw/zinc/92/91/59/380929159.db2.gz GQLCYHFTUJIBKK-SGMGOOAPSA-N 1 1 275.371 2.831 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000358561597 380929171 /nfs/dbraw/zinc/92/91/71/380929171.db2.gz GQLCYHFTUJIBKK-SGMGOOAPSA-N 1 1 275.371 2.831 20 30 CFEDMO C=CCC[N@H+](C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000287604786 380881273 /nfs/dbraw/zinc/88/12/73/380881273.db2.gz DJVUTFLHMCTKIE-CQSZACIVSA-N 1 1 253.773 2.751 20 30 CFEDMO CC(C)[N@@H+](C)C[C@@H](C)NCc1ccc(C#N)c(F)c1 ZINC000404109646 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CS[C@H]1CN(CCC2(C#N)CCCCC2)C[C@@H]1[NH+](C)C ZINC000411420603 381025847 /nfs/dbraw/zinc/02/58/47/381025847.db2.gz JUQOBFAZQVMQEO-GJZGRUSLSA-N 1 1 295.496 2.828 20 30 CFEDMO C[N@H+](CCC1(C#N)CCCCC1)C[C@@H](O)C(F)(F)F ZINC000411441777 381028048 /nfs/dbraw/zinc/02/80/48/381028048.db2.gz VJYLKCMJGPKWBV-LLVKDONJSA-N 1 1 278.318 2.706 20 30 CFEDMO C[N@@H+](CCC1(C#N)CCCCC1)C[C@@H](O)C(F)(F)F ZINC000411441777 381028066 /nfs/dbraw/zinc/02/80/66/381028066.db2.gz VJYLKCMJGPKWBV-LLVKDONJSA-N 1 1 278.318 2.706 20 30 CFEDMO CC(C)C(=O)NCC[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411452338 381029587 /nfs/dbraw/zinc/02/95/87/381029587.db2.gz ZQODWYRXQJNUNN-UHFFFAOYSA-N 1 1 279.428 2.555 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000411508298 381029893 /nfs/dbraw/zinc/02/98/93/381029893.db2.gz SDUDXRUFQABFPR-HIFRSBDPSA-N 1 1 268.364 2.975 20 30 CFEDMO C[N@@H+](CCc1cnccn1)CCC1(C#N)CCCCC1 ZINC000411433304 381030125 /nfs/dbraw/zinc/03/01/25/381030125.db2.gz UDUYOAFYIPSDFI-UHFFFAOYSA-N 1 1 272.396 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/nfs/dbraw/zinc/24/59/85/381245985.db2.gz MERBXLULSXXMRK-ILXRZTDVSA-N 1 1 278.440 2.920 20 30 CFEDMO CC[N@@H+]1C[C@@H](C)N(Cc2cc(C#N)ccc2F)[C@@H](C)C1 ZINC000347680242 381293281 /nfs/dbraw/zinc/29/32/81/381293281.db2.gz AKHZEXPPVALUAL-BETUJISGSA-N 1 1 275.371 2.612 20 30 CFEDMO C=CCOc1ccccc1C[NH+]1C[C@H](C)N(C)[C@@H](C)C1 ZINC000354448263 381275232 /nfs/dbraw/zinc/27/52/32/381275232.db2.gz PNLGWIOAHJMXFS-GJZGRUSLSA-N 1 1 274.408 2.776 20 30 CFEDMO C=CCn1c([C@@H](C)CC)nnc1N1CCC[N@@H+](CC)CC1 ZINC000290150880 381321120 /nfs/dbraw/zinc/32/11/20/381321120.db2.gz HXGXKDZWPFXJEB-AWEZNQCLSA-N 1 1 291.443 2.510 20 30 CFEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000183821927 381325305 /nfs/dbraw/zinc/32/53/05/381325305.db2.gz OLNUTRSUDPZBBH-JTQLQIEISA-N 1 1 254.280 2.580 20 30 CFEDMO C[C@H](C[N@@H+](C)CCCSCC#N)c1nccs1 ZINC000183922557 381342207 /nfs/dbraw/zinc/34/22/07/381342207.db2.gz MKJNYWSPVGAJSP-LLVKDONJSA-N 1 1 269.439 2.825 20 30 CFEDMO CC[C@@H](CC#N)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 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C=CCOCC[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296343605 381353947 /nfs/dbraw/zinc/35/39/47/381353947.db2.gz PZZCOYGBMHNSRZ-CQSZACIVSA-N 1 1 269.772 2.508 20 30 CFEDMO CCOC(=O)c1coc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000354595326 381357823 /nfs/dbraw/zinc/35/78/23/381357823.db2.gz DIZJATJVXGGAHO-UHFFFAOYSA-N 1 1 276.336 2.582 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@@H](CC)c2nccn2C)cc1 ZINC000296384172 381371795 /nfs/dbraw/zinc/37/17/95/381371795.db2.gz JSLORKUTYJLAMG-INIZCTEOSA-N 1 1 283.375 2.673 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1 ZINC000290342312 381392002 /nfs/dbraw/zinc/39/20/02/381392002.db2.gz FLSHWDOQIWAQDB-KRWDZBQOSA-N 1 1 257.377 2.795 20 30 CFEDMO C#CCCOc1ccc(C[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000184505249 381424241 /nfs/dbraw/zinc/42/42/41/381424241.db2.gz KBQNNJGYESJPLN-KRWDZBQOSA-N 1 1 299.370 2.895 20 30 CFEDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1ccc(CC#N)cc1 ZINC000342612882 381433652 /nfs/dbraw/zinc/43/36/52/381433652.db2.gz ZBYUKUGIIJWYSW-INIZCTEOSA-N 1 1 258.365 2.754 20 30 CFEDMO C=CCOCCC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000347970295 381439542 /nfs/dbraw/zinc/43/95/42/381439542.db2.gz NIZUACOYWLAZNX-LLVKDONJSA-N 1 1 251.292 2.853 20 30 CFEDMO C#CCCCCC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000290463935 381439727 /nfs/dbraw/zinc/43/97/27/381439727.db2.gz VOAFDYOXBHIESR-UHFFFAOYSA-N 1 1 299.418 2.800 20 30 CFEDMO C#Cc1ccc(C[N@H+](C)C2CCC(CO)CC2)cc1 ZINC000290409505 381419946 /nfs/dbraw/zinc/41/99/46/381419946.db2.gz JYWRTJIDYSOCPA-UHFFFAOYSA-N 1 1 257.377 2.651 20 30 CFEDMO C=CCOCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000348031039 381453607 /nfs/dbraw/zinc/45/36/07/381453607.db2.gz KBCPKCPABSUKSJ-DOTOQJQBSA-N 1 1 278.440 2.528 20 30 CFEDMO C=CCOCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000348031039 381453611 /nfs/dbraw/zinc/45/36/11/381453611.db2.gz KBCPKCPABSUKSJ-DOTOQJQBSA-N 1 1 278.440 2.528 20 30 CFEDMO C=CCOCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000348031039 381453618 /nfs/dbraw/zinc/45/36/18/381453618.db2.gz 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C[NH+](C)[C@H](C(=O)NCC(C)(C)C#N)c1cccc(Cl)c1 ZINC000359654773 381535589 /nfs/dbraw/zinc/53/55/89/381535589.db2.gz YCNRTVLDFQZLPX-ZDUSSCGKSA-N 1 1 293.798 2.609 20 30 CFEDMO C=CC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000297904851 381573822 /nfs/dbraw/zinc/57/38/22/381573822.db2.gz YMCWDBLKUPPTEB-OAHLLOKOSA-N 1 1 286.419 2.932 20 30 CFEDMO C=CC(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000297904851 381573826 /nfs/dbraw/zinc/57/38/26/381573826.db2.gz YMCWDBLKUPPTEB-OAHLLOKOSA-N 1 1 286.419 2.932 20 30 CFEDMO C#CC[N@H+](Cc1ccccc1N1CCO[C@@H](C)C1)C1CC1 ZINC000297833666 381574038 /nfs/dbraw/zinc/57/40/38/381574038.db2.gz ZYNMKOXDVCXXRM-HNNXBMFYSA-N 1 1 284.403 2.509 20 30 CFEDMO C[C@H]1C[C@@H](Nc2ccc(C#N)c([N+](=O)[O-])c2)C[N@H+]1C1CC1 ZINC000290790652 381553573 /nfs/dbraw/zinc/55/35/73/381553573.db2.gz OIQXIJIBTINKPG-GXFFZTMASA-N 1 1 286.335 2.504 20 30 CFEDMO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000342810133 381558522 /nfs/dbraw/zinc/55/85/22/381558522.db2.gz OUGTXQZAHHVHDI-CXAGYDPISA-N 1 1 281.403 2.620 20 30 CFEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC1(c2cccc(C#N)c2)CC1 ZINC000342810133 381558524 /nfs/dbraw/zinc/55/85/24/381558524.db2.gz OUGTXQZAHHVHDI-CXAGYDPISA-N 1 1 281.403 2.620 20 30 CFEDMO C=CCCCCC[N@@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000348416521 381560681 /nfs/dbraw/zinc/56/06/81/381560681.db2.gz BGICOKXSGQYYAR-OAHLLOKOSA-N 1 1 276.428 2.835 20 30 CFEDMO CC(C)(CC#N)C[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000414160069 381566059 /nfs/dbraw/zinc/56/60/59/381566059.db2.gz CFIUHTWWVZURGY-ZDUSSCGKSA-N 1 1 275.400 2.956 20 30 CFEDMO C[N@@H+](C[C@H](O)CSc1ccc(C#N)cc1Cl)C1CC1 ZINC000290842565 381570725 /nfs/dbraw/zinc/57/07/25/381570725.db2.gz WGUYCFVVAUXRIU-LBPRGKRZSA-N 1 1 296.823 2.759 20 30 CFEDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000185340741 381603682 /nfs/dbraw/zinc/60/36/82/381603682.db2.gz UCWOTUOLMKGKDK-OAHLLOKOSA-N 1 1 264.344 2.536 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@@H]1CCCO1 ZINC000355068614 381594353 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269.392 2.667 20 30 CFEDMO CC(C)([NH3+])CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000335598746 393683211 /nfs/dbraw/zinc/68/32/11/393683211.db2.gz MCRGKJWYIBPDPW-OAHLLOKOSA-N 1 1 257.381 2.653 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)Cc1ccc(C)nc1C ZINC000411640623 393733569 /nfs/dbraw/zinc/73/35/69/393733569.db2.gz KXSUSBDPDOWCJX-UHFFFAOYSA-N 1 1 261.413 2.638 20 30 CFEDMO C=CCN(C)CC[N@@H+](CC)Cc1ccc(C)nc1C ZINC000411640623 393733574 /nfs/dbraw/zinc/73/35/74/393733574.db2.gz KXSUSBDPDOWCJX-UHFFFAOYSA-N 1 1 261.413 2.638 20 30 CFEDMO C=CCN(C)CC[N@H+](CC)Cc1ccc(C)nc1C ZINC000411640623 393733577 /nfs/dbraw/zinc/73/35/77/393733577.db2.gz KXSUSBDPDOWCJX-UHFFFAOYSA-N 1 1 261.413 2.638 20 30 CFEDMO CC(C)N1CC[C@H]([NH2+]CCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000411691014 393739185 /nfs/dbraw/zinc/73/91/85/393739185.db2.gz IGHMUKUAYFFILJ-HOTGVXAUSA-N 1 1 293.361 2.992 20 30 CFEDMO CC(C)N1CC[C@@H]([NH2+]CCC#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000411691009 393739374 /nfs/dbraw/zinc/73/93/74/393739374.db2.gz IGHMUKUAYFFILJ-CVEARBPZSA-N 1 1 293.361 2.992 20 30 CFEDMO COc1ccc2c(c1)OCC[N@H+]([C@@H](C)CCC#N)C2 ZINC000411698206 393740650 /nfs/dbraw/zinc/74/06/50/393740650.db2.gz SWPFARRGGKOSKX-LBPRGKRZSA-N 1 1 260.337 2.582 20 30 CFEDMO COc1ccc2c(c1)OCC[N@@H+]([C@@H](C)CCC#N)C2 ZINC000411698206 393740653 /nfs/dbraw/zinc/74/06/53/393740653.db2.gz SWPFARRGGKOSKX-LBPRGKRZSA-N 1 1 260.337 2.582 20 30 CFEDMO CC(C)[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCO ZINC000085862134 393753504 /nfs/dbraw/zinc/75/35/04/393753504.db2.gz YVYKPWZXGLCDTI-UHFFFAOYSA-N 1 1 285.309 2.760 20 30 CFEDMO O[C@@H]1C[C@@H](c2ccccc2)[N@@H+](CC#Cc2ccccc2)C1 ZINC000411923452 393758211 /nfs/dbraw/zinc/75/82/11/393758211.db2.gz KPCPZGZMNRHNMJ-MOPGFXCFSA-N 1 1 277.367 2.846 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cnc3ccc(C#N)cn23)C(C)(C)C1 ZINC000335944475 393710068 /nfs/dbraw/zinc/71/00/68/393710068.db2.gz GJFDDSJFRVFVIF-LBPRGKRZSA-N 1 1 268.364 2.826 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccccc2)C1 ZINC000411988933 393759933 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ZINC000358993599 394118957 /nfs/dbraw/zinc/11/89/57/394118957.db2.gz PGUBKKLPSLVNKW-GJZGRUSLSA-N 1 1 281.444 2.761 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000130907923 394121936 /nfs/dbraw/zinc/12/19/36/394121936.db2.gz DVGQPVICJZIUCZ-ZDUSSCGKSA-N 1 1 295.390 2.607 20 30 CFEDMO C=CCCCC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000359499098 394136080 /nfs/dbraw/zinc/13/60/80/394136080.db2.gz HYYKMHZRUAAJLW-OAHLLOKOSA-N 1 1 264.413 2.533 20 30 CFEDMO C=CC1CCN(c2cc[nH+]cc2C(=O)OCC)CC1 ZINC000359487936 394136146 /nfs/dbraw/zinc/13/61/46/394136146.db2.gz XTARWSTYNACDEC-UHFFFAOYSA-N 1 1 260.337 2.661 20 30 CFEDMO N#CCSCCC[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000360324968 394148334 /nfs/dbraw/zinc/14/83/34/394148334.db2.gz ZTPMNQVMGPDDER-OAHLLOKOSA-N 1 1 275.421 2.593 20 30 CFEDMO C=C(Br)C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000360348201 394149088 /nfs/dbraw/zinc/14/90/88/394149088.db2.gz WPMYYNGFOGBCHG-CYBMUJFWSA-N 1 1 281.197 2.855 20 30 CFEDMO C=C(Br)C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000360348201 394149092 /nfs/dbraw/zinc/14/90/92/394149092.db2.gz WPMYYNGFOGBCHG-CYBMUJFWSA-N 1 1 281.197 2.855 20 30 CFEDMO C[NH+](C)[C@@H](C(=O)NCC(C)(C)CCC#N)c1ccccc1 ZINC000360410129 394150871 /nfs/dbraw/zinc/15/08/71/394150871.db2.gz DSCOWEBILJFOAE-OAHLLOKOSA-N 1 1 287.407 2.735 20 30 CFEDMO C=CCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448045018 394154804 /nfs/dbraw/zinc/15/48/04/394154804.db2.gz YZECLKZMLXXNIV-GOEBONIOSA-N 1 1 291.439 2.611 20 30 CFEDMO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000421026172 394163977 /nfs/dbraw/zinc/16/39/77/394163977.db2.gz UAROBVYNGXICDF-MFKMUULPSA-N 1 1 296.317 2.505 20 30 CFEDMO C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(C#N)cc1OC(F)F ZINC000421026172 394163980 /nfs/dbraw/zinc/16/39/80/394163980.db2.gz UAROBVYNGXICDF-MFKMUULPSA-N 1 1 296.317 2.505 20 30 CFEDMO COc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1C#N ZINC000134986600 394208689 /nfs/dbraw/zinc/20/86/89/394208689.db2.gz 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CC[C@@H]1C[N@@H+](CC)CCN1C(=O)/C=C/c1ccc(C#N)cc1 ZINC000493533613 394271890 /nfs/dbraw/zinc/27/18/90/394271890.db2.gz XGYLGMZONJQRAH-OAGJVSPASA-N 1 1 297.402 2.514 20 30 CFEDMO N#Cc1ccc2c(c1)[C@H](N[C@H](C[NH3+])C1CCCC1)CC2 ZINC000423513681 394286996 /nfs/dbraw/zinc/28/69/96/394286996.db2.gz VPXMGFNATOUREF-IAGOWNOFSA-N 1 1 269.392 2.653 20 30 CFEDMO C[C@H]([NH2+][C@H](CN)C1CCCC1)c1cccc(C#N)c1 ZINC000423515267 394287542 /nfs/dbraw/zinc/28/75/42/394287542.db2.gz XGVOGYJBHLRDEQ-BLLLJJGKSA-N 1 1 257.381 2.726 20 30 CFEDMO CC[C@H](NCCC[NH2+]C1CC1)c1ccc(C#N)cc1 ZINC000423556923 394297021 /nfs/dbraw/zinc/29/70/21/394297021.db2.gz NCMFLMLIDPBYRB-INIZCTEOSA-N 1 1 257.381 2.741 20 30 CFEDMO N#Cc1cccc(C[N@H+](CCO)Cc2cccc(F)c2)c1 ZINC000494283050 394348546 /nfs/dbraw/zinc/34/85/46/394348546.db2.gz SJLFPMTVHCZSSN-UHFFFAOYSA-N 1 1 284.334 2.692 20 30 CFEDMO CC[N@@H+](CC(=O)Nc1ccccc1SCC#N)C(C)C ZINC000173275693 394375421 /nfs/dbraw/zinc/37/54/21/394375421.db2.gz UUCSPRKSDGFDIX-UHFFFAOYSA-N 1 1 291.420 2.971 20 30 CFEDMO C[N@H+](CC1(C#N)CCC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451326897 394375872 /nfs/dbraw/zinc/37/58/72/394375872.db2.gz DYYYBCMGQWHAPC-CQSZACIVSA-N 1 1 278.783 2.999 20 30 CFEDMO C[N@@H+](CC1(C#N)CCC1)[C@H](CO)c1ccc(Cl)cc1 ZINC000451326897 394375873 /nfs/dbraw/zinc/37/58/73/394375873.db2.gz DYYYBCMGQWHAPC-CQSZACIVSA-N 1 1 278.783 2.999 20 30 CFEDMO N#Cc1ccccc1C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000178428770 394388649 /nfs/dbraw/zinc/38/86/49/394388649.db2.gz FXMJCOCOZRICPC-UHFFFAOYSA-N 1 1 297.402 2.535 20 30 CFEDMO C=CCN1CC[C@H]([N@H+]2CCc3cc(F)ccc3[C@H]2C)C1=O ZINC000685001917 542885955 /nfs/dbraw/zinc/88/59/55/542885955.db2.gz XULQMCGVIWQPHM-WBMJQRKESA-N 1 1 288.366 2.532 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CCc3cc(F)ccc3[C@H]2C)C1=O ZINC000685001917 542885957 /nfs/dbraw/zinc/88/59/57/542885957.db2.gz XULQMCGVIWQPHM-WBMJQRKESA-N 1 1 288.366 2.532 20 30 CFEDMO COCc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C#N ZINC000527762297 394404850 /nfs/dbraw/zinc/40/48/50/394404850.db2.gz 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395367111 /nfs/dbraw/zinc/36/71/11/395367111.db2.gz DWULLIQTVPAOFT-HYVNUMGLSA-N 1 1 286.419 2.630 20 30 CFEDMO C=CCCCC[N@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000649333851 395474019 /nfs/dbraw/zinc/47/40/19/395474019.db2.gz HICLVZCSLMUMFO-QWRGUYRKSA-N 1 1 251.292 2.994 20 30 CFEDMO C=CCCCC[N@@H+]1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000649333851 395474022 /nfs/dbraw/zinc/47/40/22/395474022.db2.gz HICLVZCSLMUMFO-QWRGUYRKSA-N 1 1 251.292 2.994 20 30 CFEDMO C=CCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000649589689 395533678 /nfs/dbraw/zinc/53/36/78/395533678.db2.gz QSJKTAJWESADKA-RYUDHWBXSA-N 1 1 265.319 2.835 20 30 CFEDMO C=C(C)[C@H](CO)[NH+]1CC(c2nc3ccccc3s2)C1 ZINC000649401025 395486532 /nfs/dbraw/zinc/48/65/32/395486532.db2.gz WOCROTHPUHZBCC-ZDUSSCGKSA-N 1 1 274.389 2.633 20 30 CFEDMO C=CCOCC[N@@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000649661538 395547656 /nfs/dbraw/zinc/54/76/56/395547656.db2.gz CQSXLZYFLCBFNJ-MRXNPFEDSA-N 1 1 263.356 2.992 20 30 CFEDMO 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DYICUMIGOKJSQI-CYBMUJFWSA-N 1 1 263.768 2.802 20 30 CFEDMO CC(C)[N@@H+](CCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356063775 155154336 /nfs/dbraw/zinc/15/43/36/155154336.db2.gz XBOCQEHWKCHAQN-UHFFFAOYSA-N 1 1 286.297 2.780 20 30 CFEDMO N#Cc1ccc(C[N@H+](CCO)C2CC2)c(C(F)(F)F)c1 ZINC000356079105 155156513 /nfs/dbraw/zinc/15/65/13/155156513.db2.gz APEGGGTUCSPJHP-UHFFFAOYSA-N 1 1 284.281 2.534 20 30 CFEDMO COc1cc(C[N@@H+](CCO)[C@H]2CC[C@H](C)C2)ccc1C#N ZINC000356364339 155240204 /nfs/dbraw/zinc/24/02/04/155240204.db2.gz LQUWTIWEULKSRP-BBRMVZONSA-N 1 1 288.391 2.550 20 30 CFEDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2cc(C#N)cs2)C1 ZINC000356373461 155243736 /nfs/dbraw/zinc/24/37/36/155243736.db2.gz VRZUXSPNIXUYEJ-YPMHNXCESA-N 1 1 264.394 2.603 20 30 CFEDMO C[C@@H](C[NH+]1CCC(C)CC1)NCc1cc(C#N)cs1 ZINC000574099091 413274648 /nfs/dbraw/zinc/27/46/48/413274648.db2.gz GUWWYQMWIJLNRD-ZDUSSCGKSA-N 1 1 277.437 2.830 20 30 CFEDMO C=CC[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000660396698 413285103 /nfs/dbraw/zinc/28/51/03/413285103.db2.gz NOMCAVZTWPUWRB-HZPDHXFCSA-N 1 1 293.455 2.716 20 30 CFEDMO CC[N@@H+](CCNc1cc(C#N)ccn1)CCC(F)(F)F ZINC000343202531 154141728 /nfs/dbraw/zinc/14/17/28/154141728.db2.gz FGQKLQVUIAKQFW-UHFFFAOYSA-N 1 1 286.301 2.639 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCCC[C@@H]2Cn2cccn2)ccc1F ZINC000362822998 156093548 /nfs/dbraw/zinc/09/35/48/156093548.db2.gz OAHOBFBGZZCULK-MRXNPFEDSA-N 1 1 298.365 2.949 20 30 CFEDMO COC(=O)CC[N@H+](Cc1ccc(C#N)c(C)c1)CC(C)C ZINC000362909829 156111784 /nfs/dbraw/zinc/11/17/84/156111784.db2.gz ZOZNRGJYWCTQOL-UHFFFAOYSA-N 1 1 288.391 2.888 20 30 CFEDMO Cc1noc([C@H]2CCC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)n1 ZINC000362921839 156114496 /nfs/dbraw/zinc/11/44/96/156114496.db2.gz KEAGQUCQCMKHNR-INIZCTEOSA-N 1 1 296.374 2.938 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)c1 ZINC000363521713 156177687 /nfs/dbraw/zinc/17/76/87/156177687.db2.gz KNWPEQGVFFPUNE-QGZVFWFLSA-N 1 1 297.402 2.535 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000363525337 156179051 /nfs/dbraw/zinc/17/90/51/156179051.db2.gz NIVDHJNDNMGUFY-QGZVFWFLSA-N 1 1 297.402 2.535 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1Cc2ccccc2O1 ZINC000363874975 156201424 /nfs/dbraw/zinc/20/14/24/156201424.db2.gz KMCAQJCRRCTSHB-QGZVFWFLSA-N 1 1 278.355 2.994 20 30 CFEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000363867618 156201444 /nfs/dbraw/zinc/20/14/44/156201444.db2.gz WKYSVCIKVKXTSZ-HZPDHXFCSA-N 1 1 282.343 2.674 20 30 CFEDMO Cn1nccc1CC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367122226 156284392 /nfs/dbraw/zinc/28/43/92/156284392.db2.gz YFVHIVUXRZFSQE-UHFFFAOYSA-N 1 1 292.386 2.624 20 30 CFEDMO Cc1ccc(N2CCC(Nc3cccnc3C#N)CC2)[nH+]c1 ZINC000368101286 156435611 /nfs/dbraw/zinc/43/56/11/156435611.db2.gz YITFDVBBAAHHDI-UHFFFAOYSA-N 1 1 293.374 2.738 20 30 CFEDMO C=CCCn1cc(C[N@H+](CC)[C@H](C)C(C)C)nn1 ZINC000653509527 413341402 /nfs/dbraw/zinc/34/14/02/413341402.db2.gz LBEUYQRNMJHSLX-CYBMUJFWSA-N 1 1 250.390 2.721 20 30 CFEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@H](C2CC2)C1 ZINC000374302650 157096465 /nfs/dbraw/zinc/09/64/65/157096465.db2.gz PRZVHHIOCMUAQA-HNNXBMFYSA-N 1 1 256.349 2.669 20 30 CFEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375277345 157216718 /nfs/dbraw/zinc/21/67/18/157216718.db2.gz JEVHBXYZNAXIMZ-DOTOQJQBSA-N 1 1 286.375 2.580 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375374562 157235525 /nfs/dbraw/zinc/23/55/25/157235525.db2.gz YJWRSROOOFEYQY-NVXWUHKLSA-N 1 1 286.375 2.710 20 30 CFEDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1C#N ZINC000375787881 157284210 /nfs/dbraw/zinc/28/42/10/157284210.db2.gz HNQWMQVKLCUXCG-MSOLQXFVSA-N 1 1 297.402 2.534 20 30 CFEDMO Cc1cc(C=C2CC[NH+](Cc3cc(C#N)n(C)c3)CC2)no1 ZINC000375970349 157310710 /nfs/dbraw/zinc/31/07/10/157310710.db2.gz VDJFDSSAJKGPOU-UHFFFAOYSA-N 1 1 296.374 2.873 20 30 CFEDMO C=CCCn1cc(C[N@H+]2C[C@@H](C)CCC[C@H]2C)nn1 ZINC000653559137 413369716 /nfs/dbraw/zinc/36/97/16/413369716.db2.gz KKEXAXBEYZMUDG-UONOGXRCSA-N 1 1 262.401 2.865 20 30 CFEDMO C=CCCC(C)(C)NC(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000663787757 413377908 /nfs/dbraw/zinc/37/79/08/413377908.db2.gz KPTWBFIQPJBWMT-CQSZACIVSA-N 1 1 281.444 2.762 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)nn1 ZINC000653613512 413404338 /nfs/dbraw/zinc/40/43/38/413404338.db2.gz ONKLTJOSRPBMFE-CYBMUJFWSA-N 1 1 262.401 2.722 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2C[C@H](C)CC(C)(C)C2)nn1 ZINC000653612866 413405626 /nfs/dbraw/zinc/40/56/26/413405626.db2.gz JZEZDPKPXFJQOI-CYBMUJFWSA-N 1 1 262.401 2.722 20 30 CFEDMO C=CCCn1cc(C[NH2+][C@H](C)c2ccncc2CC)nn1 ZINC000653613044 413405678 /nfs/dbraw/zinc/40/56/78/413405678.db2.gz SFHKQGSNFFABEZ-CYBMUJFWSA-N 1 1 285.395 2.662 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000660586816 413415410 /nfs/dbraw/zinc/41/54/10/413415410.db2.gz KKVYJPULFWESNV-KFWWJZLASA-N 1 1 279.428 2.609 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2ccc(O)c(F)c2)c(F)c1 ZINC000344549855 162065679 /nfs/dbraw/zinc/06/56/79/162065679.db2.gz PIEGQGZHTWXBOV-UHFFFAOYSA-N 1 1 274.270 2.832 20 30 CFEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1ccc(C#N)cc1F ZINC000344632078 162085912 /nfs/dbraw/zinc/08/59/12/162085912.db2.gz JHRXDVUDTIBWQS-JTQLQIEISA-N 1 1 259.284 2.568 20 30 CFEDMO C=CCCn1cc(C[N@H+](CC)C(CC)CC)nn1 ZINC000653677870 413444265 /nfs/dbraw/zinc/44/42/65/413444265.db2.gz IZQSAAYWRJIQMD-UHFFFAOYSA-N 1 1 250.390 2.865 20 30 CFEDMO C=C[C@@H](C)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000653691754 413447721 /nfs/dbraw/zinc/44/77/21/413447721.db2.gz QHLXZVNWIHPKFK-ZWNOBZJWSA-N 1 1 266.772 2.633 20 30 CFEDMO C=CCC1(NC(=O)NCC[N@H+](C)[C@H](C)CC)CCCC1 ZINC000663940764 413455708 /nfs/dbraw/zinc/45/57/08/413455708.db2.gz DDYDNDBPKYKNJS-CQSZACIVSA-N 1 1 281.444 2.905 20 30 CFEDMO CC[N@@H+](CCNC(=O)c1cc(C#N)ccc1Cl)C(C)C ZINC000352856750 163253157 /nfs/dbraw/zinc/25/31/57/163253157.db2.gz BFVHJCJILLMTOR-UHFFFAOYSA-N 1 1 293.798 2.672 20 30 CFEDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cccc(C#N)c2F)C1 ZINC000352868374 163257077 /nfs/dbraw/zinc/25/70/77/163257077.db2.gz LQPUNUBUDDUTSL-CQSZACIVSA-N 1 1 289.398 2.861 20 30 CFEDMO N#Cc1ccccc1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353023579 163290646 /nfs/dbraw/zinc/29/06/46/163290646.db2.gz NMDYUSUFTSJNPZ-LLVKDONJSA-N 1 1 266.291 2.619 20 30 CFEDMO Cn1ccnc1[C@@H]([NH2+]Cc1cc(C#N)cs1)C1CC1 ZINC000353036678 163293079 /nfs/dbraw/zinc/29/30/79/163293079.db2.gz HJAKJKOSNPBFSQ-ZDUSSCGKSA-N 1 1 272.377 2.594 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)NCc1cc(C#N)cs1 ZINC000353117411 163308666 /nfs/dbraw/zinc/30/86/66/163308666.db2.gz MHLBUJBYNPFTIC-GFCCVEGCSA-N 1 1 265.426 2.830 20 30 CFEDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000353117411 163308670 /nfs/dbraw/zinc/30/86/70/163308670.db2.gz MHLBUJBYNPFTIC-GFCCVEGCSA-N 1 1 265.426 2.830 20 30 CFEDMO C[C@H](CN[C@H]1CCc2ccc(C#N)cc21)C[NH+]1CCCC1 ZINC000353414623 163360896 /nfs/dbraw/zinc/36/08/96/163360896.db2.gz UAPLLXPIMUJSAV-KDOFPFPSSA-N 1 1 283.419 2.867 20 30 CFEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CC2 ZINC000353422489 163363267 /nfs/dbraw/zinc/36/32/67/163363267.db2.gz BWAGAYNBNGFFGH-KBXCAEBGSA-N 1 1 281.403 2.619 20 30 CFEDMO N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000353422489 163363270 /nfs/dbraw/zinc/36/32/70/163363270.db2.gz BWAGAYNBNGFFGH-KBXCAEBGSA-N 1 1 281.403 2.619 20 30 CFEDMO N#Cc1ccc2c(c1)[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000353422489 163363273 /nfs/dbraw/zinc/36/32/73/163363273.db2.gz BWAGAYNBNGFFGH-KBXCAEBGSA-N 1 1 281.403 2.619 20 30 CFEDMO CCc1nocc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000353548847 163390914 /nfs/dbraw/zinc/39/09/14/163390914.db2.gz HVQHFYCBHTWUNF-UHFFFAOYSA-N 1 1 299.374 2.757 20 30 CFEDMO CCc1nocc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000353548847 163390917 /nfs/dbraw/zinc/39/09/17/163390917.db2.gz HVQHFYCBHTWUNF-UHFFFAOYSA-N 1 1 299.374 2.757 20 30 CFEDMO C[C@@H]1CSCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000334641173 297179304 /nfs/dbraw/zinc/17/93/04/297179304.db2.gz MROLRLYHISXGMZ-FZMZJTMJSA-N 1 1 289.404 2.820 20 30 CFEDMO C[C@@H]1CSCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000334641173 297179308 /nfs/dbraw/zinc/17/93/08/297179308.db2.gz MROLRLYHISXGMZ-FZMZJTMJSA-N 1 1 289.404 2.820 20 30 CFEDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1c1ncc2c(c1C#N)CCC2 ZINC000425226265 287232097 /nfs/dbraw/zinc/23/20/97/287232097.db2.gz HKZFNWFOMICWIA-CABCVRRESA-N 1 1 296.418 2.505 20 30 CFEDMO C#Cc1ccc(C[NH+]2CCN(c3ncccc3F)CC2)cc1 ZINC000284292782 196023055 /nfs/dbraw/zinc/02/30/55/196023055.db2.gz UKBLUIVFMSXCMA-UHFFFAOYSA-N 1 1 295.361 2.524 20 30 CFEDMO Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000007490766 170286991 /nfs/dbraw/zinc/28/69/91/170286991.db2.gz VPHHPPJRZGAGAL-UHFFFAOYSA-N 1 1 293.370 2.937 20 30 CFEDMO Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc(C#N)cc2)cc1 ZINC000007490766 170286992 /nfs/dbraw/zinc/28/69/92/170286992.db2.gz VPHHPPJRZGAGAL-UHFFFAOYSA-N 1 1 293.370 2.937 20 30 CFEDMO Cc1ccccc1C[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000007845271 170305034 /nfs/dbraw/zinc/30/50/34/170305034.db2.gz WIQMFAWABDOCIB-UHFFFAOYSA-N 1 1 293.370 2.937 20 30 CFEDMO Cc1ccccc1C[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000007845271 170305035 /nfs/dbraw/zinc/30/50/35/170305035.db2.gz WIQMFAWABDOCIB-UHFFFAOYSA-N 1 1 293.370 2.937 20 30 CFEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284374044 196042763 /nfs/dbraw/zinc/04/27/63/196042763.db2.gz FDSOVMQYLGXOBR-IAGOWNOFSA-N 1 1 286.375 2.580 20 30 CFEDMO CC1(C)CC(NCc2cccc(C#N)c2)CC(C)(C)[NH2+]1 ZINC000020143193 171028986 /nfs/dbraw/zinc/02/89/86/171028986.db2.gz GRCVYFRVKCHUMZ-UHFFFAOYSA-N 1 1 271.408 2.957 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284723393 196119015 /nfs/dbraw/zinc/11/90/15/196119015.db2.gz JVQXJMJLDWKYGX-JKSUJKDBSA-N 1 1 256.349 2.702 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCCC(=O)N1 ZINC000329831938 287262619 /nfs/dbraw/zinc/26/26/19/287262619.db2.gz FTTPWRYVFYRCAU-CHWSQXEVSA-N 1 1 281.400 2.716 20 30 CFEDMO C=CCCN(C)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000653757995 413482319 /nfs/dbraw/zinc/48/23/19/413482319.db2.gz LMRKDVGMSJBGHI-AWEZNQCLSA-N 1 1 280.799 2.977 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000285027367 196181392 /nfs/dbraw/zinc/18/13/92/196181392.db2.gz KFZMHVDAGRWXIU-SJLPKXTDSA-N 1 1 285.387 2.842 20 30 CFEDMO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1nnc(C)o1 ZINC000285092227 196195425 /nfs/dbraw/zinc/19/54/25/196195425.db2.gz LHCLFAHFCYXENM-IUODEOHRSA-N 1 1 269.348 2.663 20 30 CFEDMO COCCc1cc[nH+]c(NCc2ccc(C#N)s2)c1 ZINC000285215380 196223142 /nfs/dbraw/zinc/22/31/42/196223142.db2.gz PNRNPTHYARFWRP-UHFFFAOYSA-N 1 1 273.361 2.816 20 30 CFEDMO C=CCOc1ccc(C[NH2+]Cc2cn(C3CCC3)nn2)cc1 ZINC000657460596 413632534 /nfs/dbraw/zinc/63/25/34/413632534.db2.gz IEUKXFPRIRZPEP-UHFFFAOYSA-N 1 1 298.390 2.858 20 30 CFEDMO CN(CC#Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285477557 196297514 /nfs/dbraw/zinc/29/75/14/196297514.db2.gz KZJXWOOHFNDPGZ-JWTNVVGKSA-N 1 1 268.404 2.595 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[NH+]1CCC(c2ccco2)CC1 ZINC000661164920 413800136 /nfs/dbraw/zinc/80/01/36/413800136.db2.gz LGEUMVVRUIDHFP-UHFFFAOYSA-N 1 1 290.407 2.884 20 30 CFEDMO C=CCC(CC=C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654311740 413801896 /nfs/dbraw/zinc/80/18/96/413801896.db2.gz LDORJKFIEBWYOF-CVEARBPZSA-N 1 1 276.424 2.888 20 30 CFEDMO C=CCCC(C)(C)NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000664409396 413749151 /nfs/dbraw/zinc/74/91/51/413749151.db2.gz VLIFVTQMYVBTSU-TZMCWYRMSA-N 1 1 279.428 2.513 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000654319991 413813880 /nfs/dbraw/zinc/81/38/80/413813880.db2.gz REIORRALYLFISF-SQWLQELKSA-N 1 1 264.413 2.722 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000661123902 413771717 /nfs/dbraw/zinc/77/17/17/413771717.db2.gz UCOMZZDKBFJNBC-JKSUJKDBSA-N 1 1 293.455 2.762 20 30 CFEDMO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000661150981 413788264 /nfs/dbraw/zinc/78/82/64/413788264.db2.gz VWECMOKMKMEFCF-HNNXBMFYSA-N 1 1 286.375 2.894 20 30 CFEDMO 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SCAVOIBJIHYNKL-LBPRGKRZSA-N 1 1 274.202 2.786 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1CN1CCCCCC1 ZINC000364629453 262255547 /nfs/dbraw/zinc/25/55/47/262255547.db2.gz KVWAYCLEHFXOIE-DLBZAZTESA-N 1 1 280.456 2.654 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1CN1CCCCCC1 ZINC000364629453 262255548 /nfs/dbraw/zinc/25/55/48/262255548.db2.gz KVWAYCLEHFXOIE-DLBZAZTESA-N 1 1 280.456 2.654 20 30 CFEDMO C=CC1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000110968493 262258844 /nfs/dbraw/zinc/25/88/44/262258844.db2.gz LTMCBCNAMJWUIM-MRXNPFEDSA-N 1 1 272.392 2.714 20 30 CFEDMO C#CCC1(C(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)CCCCC1 ZINC000364998284 262266857 /nfs/dbraw/zinc/26/68/57/262266857.db2.gz AENJVTAQIYNLPI-CVEARBPZSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CCCC1(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000354592511 262276811 /nfs/dbraw/zinc/27/68/11/262276811.db2.gz DEZUBMLAIJJFPU-LSDHHAIUSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CCOc1ccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000222075852 262309323 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262381052 /nfs/dbraw/zinc/38/10/52/262381052.db2.gz FNDHHMLXRSGFBC-KBPBESRZSA-N 1 1 250.386 2.817 20 30 CFEDMO C=CC1CC[NH+](Cc2ncnn2-c2ccccc2)CC1 ZINC000337195527 262432024 /nfs/dbraw/zinc/43/20/24/262432024.db2.gz VXUGFINHZFAGKF-UHFFFAOYSA-N 1 1 268.364 2.665 20 30 CFEDMO C=CCOCC[N@H+](C)C1CCN(c2ccccc2)CC1 ZINC000339146683 262606463 /nfs/dbraw/zinc/60/64/63/262606463.db2.gz UCAJWPBZJCOWBM-UHFFFAOYSA-N 1 1 274.408 2.790 20 30 CFEDMO C[N@@H+](CCCCC(C)(C)C#N)C(C)(C)CN1CCOCC1 ZINC000412095210 262720955 /nfs/dbraw/zinc/72/09/55/262720955.db2.gz LPEWKFDGFIIYBT-UHFFFAOYSA-N 1 1 295.471 2.749 20 30 CFEDMO CN(CCC#N)c1ccc(C[N@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000271109926 262993029 /nfs/dbraw/zinc/99/30/29/262993029.db2.gz CUHIMKSEEXWWHE-MSOLQXFVSA-N 1 1 299.418 2.790 20 30 CFEDMO CC(C)(C#N)CC[NH2+][C@](C)(C(N)=O)c1cccc(Cl)c1 ZINC000272015205 263001213 /nfs/dbraw/zinc/00/12/13/263001213.db2.gz LODJZQVDWSXTEO-HNNXBMFYSA-N 1 1 293.798 2.570 20 30 CFEDMO C[N@@H+](CCC(C)(C)C#N)Cc1ccc([S@](C)=O)cc1 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CC[N@@H+](CC(=O)Nc1c(F)cccc1F)[C@@H](C)CCC#N ZINC000276266095 263035276 /nfs/dbraw/zinc/03/52/76/263035276.db2.gz BXNQHZYLQCREGT-NSHDSACASA-N 1 1 295.333 2.917 20 30 CFEDMO COc1ccccc1N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000276306024 263036002 /nfs/dbraw/zinc/03/60/02/263036002.db2.gz LAYIEDVDSFKRBL-CQSZACIVSA-N 1 1 273.380 2.509 20 30 CFEDMO CC(C)[N@@H+](CCCCC#N)C[C@@H](O)COc1ccccc1 ZINC000277826729 263043768 /nfs/dbraw/zinc/04/37/68/263043768.db2.gz QWVNDSSAXYNNEX-MRXNPFEDSA-N 1 1 290.407 2.831 20 30 CFEDMO N#Cc1c(F)cccc1N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000278558705 263048743 /nfs/dbraw/zinc/04/87/43/263048743.db2.gz IEFBFCGXZDKXBH-UONOGXRCSA-N 1 1 298.365 2.512 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1c(F)cncc1F ZINC000285619163 263094417 /nfs/dbraw/zinc/09/44/17/263094417.db2.gz JPZYEVWRIVGNDE-LPEHRKFASA-N 1 1 251.280 2.703 20 30 CFEDMO C[C@@H]1[C@H](NC(=O)CC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000288251425 263103842 /nfs/dbraw/zinc/10/38/42/263103842.db2.gz 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C=CCCCC[N@H+](C)CC(C)(C)CN1CCOCC1 ZINC000571612538 328137498 /nfs/dbraw/zinc/13/74/98/328137498.db2.gz VSCSECOOBUJUES-UHFFFAOYSA-N 1 1 268.445 2.633 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CCCc3c(cnn3C)C2)cc1 ZINC000414472106 328184936 /nfs/dbraw/zinc/18/49/36/328184936.db2.gz NOUDWWIYBOBKMF-UHFFFAOYSA-N 1 1 297.402 2.933 20 30 CFEDMO CCCO[C@H]1CCC[N@@H+](CCCSCC#N)CC1 ZINC000173890963 329153425 /nfs/dbraw/zinc/15/34/25/329153425.db2.gz KUIFHVHIMYRKFW-AWEZNQCLSA-N 1 1 270.442 2.914 20 30 CFEDMO CCCNC(=O)[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174836795 329163948 /nfs/dbraw/zinc/16/39/48/329163948.db2.gz PHUHOMBLLXBCPT-CQSZACIVSA-N 1 1 279.428 2.555 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@H+](CC)C[C@@H](C)CC ZINC000177855019 329193050 /nfs/dbraw/zinc/19/30/50/329193050.db2.gz VELGZNQSJOFJDB-AWEZNQCLSA-N 1 1 254.418 2.779 20 30 CFEDMO C[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[C@@H](C#N)C1 ZINC000278688240 328229389 /nfs/dbraw/zinc/22/93/89/328229389.db2.gz SAUGVLLFJZWYLL-DGCLKSJQSA-N 1 1 258.321 2.539 20 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N#Cc1ccc(C[NH2+]Cc2cc[nH]n2)c(C(F)(F)F)c1 ZINC000581279468 325106799 /nfs/dbraw/zinc/10/67/99/325106799.db2.gz DWORAXAHSKAJPE-UHFFFAOYSA-N 1 1 280.253 2.590 20 30 CFEDMO COC(=O)c1cccc(C[N@H+]2CC(C)(C)C[C@@H]2C)c1C#N ZINC000583190274 325267349 /nfs/dbraw/zinc/26/73/49/325267349.db2.gz MZELJYAWCORKPS-LBPRGKRZSA-N 1 1 286.375 2.965 20 30 CFEDMO Cn1cncc1CCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000583638650 325300929 /nfs/dbraw/zinc/30/09/29/325300929.db2.gz FHGHSWWTUPWPHO-UHFFFAOYSA-N 1 1 294.402 2.889 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000184978520 328543503 /nfs/dbraw/zinc/54/35/03/328543503.db2.gz WFSQZMAQACUYKH-QWHCGFSZSA-N 1 1 264.369 2.601 20 30 CFEDMO C=CC[N@H+](C)[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000121176795 330397101 /nfs/dbraw/zinc/39/71/01/330397101.db2.gz OINVPNWTSPFLKR-CYBMUJFWSA-N 1 1 252.402 2.674 20 30 CFEDMO CC#CCC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000557530139 327011918 /nfs/dbraw/zinc/01/19/18/327011918.db2.gz GUAHTJFFHUTAIC-QGZVFWFLSA-N 1 1 255.361 2.870 20 30 CFEDMO COc1cc(C)cc(C[NH2+]C[C@H](C#N)CCC#N)c1 ZINC000558657152 327112059 /nfs/dbraw/zinc/11/20/59/327112059.db2.gz RIAWNRLRZNXKES-ZDUSSCGKSA-N 1 1 257.337 2.537 20 30 CFEDMO C=C[C@H](CC(=O)N1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000559259040 327151466 /nfs/dbraw/zinc/15/14/66/327151466.db2.gz QRMJNXLSJCMPFI-OAHLLOKOSA-N 1 1 286.419 2.899 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000566174251 327155576 /nfs/dbraw/zinc/15/55/76/327155576.db2.gz QXKUKHVJASJPIP-STQMWFEESA-N 1 1 253.386 2.862 20 30 CFEDMO COc1ccc(C[NH2+]CC2(C#N)CC2)cc1OCCCC#N ZINC000559332425 327160682 /nfs/dbraw/zinc/16/06/82/327160682.db2.gz CGBWDZIJLYGDBM-UHFFFAOYSA-N 1 1 299.374 2.771 20 30 CFEDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000408169313 327181263 /nfs/dbraw/zinc/18/12/63/327181263.db2.gz MYOXVOJCFPZHAI-HUUCEWRRSA-N 1 1 291.439 2.840 20 30 CFEDMO C=C(C)COc1cccc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)c1 ZINC000569470707 327182975 /nfs/dbraw/zinc/18/29/75/327182975.db2.gz NOENRRJYTCIGCW-CQSZACIVSA-N 1 1 288.391 2.920 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426776451 327191221 /nfs/dbraw/zinc/19/12/21/327191221.db2.gz YOHLACXEMROSRX-PNBKFKSVSA-N 1 1 291.439 2.551 20 30 CFEDMO N#CCCCC[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000363482223 327242982 /nfs/dbraw/zinc/24/29/82/327242982.db2.gz YDMDFPIOBGAUGC-INIZCTEOSA-N 1 1 291.439 2.795 20 30 CFEDMO Cc1ccc2cc(C[NH2+]CC3(C#N)CC3)ccc2n1 ZINC000555709900 327249514 /nfs/dbraw/zinc/24/95/14/327249514.db2.gz QNTBKLZDSSDWOW-UHFFFAOYSA-N 1 1 251.333 2.937 20 30 CFEDMO CC#CC[N@@H+](C)CCCC(=O)Nc1ccccc1C(C)=O ZINC000577884656 327285676 /nfs/dbraw/zinc/28/56/76/327285676.db2.gz ULPTZOBKFBBTBY-UHFFFAOYSA-N 1 1 286.375 2.563 20 30 CFEDMO C=CCOc1cccc(NC(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC000561174620 327371271 /nfs/dbraw/zinc/37/12/71/327371271.db2.gz AYPLLKODPYSCKT-ZDUSSCGKSA-N 1 1 274.364 2.532 20 30 CFEDMO CCC[N@H+](CCC(C)(C)C#N)[C@H](CC)C(=O)OCC ZINC000561348633 327388125 /nfs/dbraw/zinc/38/81/25/327388125.db2.gz ONTMMTXMKXXWCQ-CYBMUJFWSA-N 1 1 268.401 2.980 20 30 CFEDMO CCC[N@@H+](CCC(C)(C)C#N)[C@H](CC)C(=O)OCC ZINC000561348633 327388126 /nfs/dbraw/zinc/38/81/26/327388126.db2.gz ONTMMTXMKXXWCQ-CYBMUJFWSA-N 1 1 268.401 2.980 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1CCOCC(F)(F)C(F)F ZINC000489441689 332052518 /nfs/dbraw/zinc/05/25/18/332052518.db2.gz AAHVTMXFYIACKZ-JTQLQIEISA-N 1 1 269.282 2.944 20 30 CFEDMO C=C(CC)CNc1ccccc1C[NH+]1CCOCC1 ZINC000358671508 328890836 /nfs/dbraw/zinc/89/08/36/328890836.db2.gz ZNZOKVMCNAEARN-UHFFFAOYSA-N 1 1 260.381 2.897 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](c3noc(CC)n3)C2)cc1 ZINC000377403135 329014363 /nfs/dbraw/zinc/01/43/63/329014363.db2.gz VRBWFQSCUYNSBF-MRXNPFEDSA-N 1 1 295.386 2.993 20 30 CFEDMO CCC[C@]1(CO)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000377607797 329020068 /nfs/dbraw/zinc/02/00/68/329020068.db2.gz PLVNIEJDHLXIJZ-HNNXBMFYSA-N 1 1 252.402 2.801 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC23CCC(CO)CC3)cc1 ZINC000377612653 329020286 /nfs/dbraw/zinc/02/02/86/329020286.db2.gz BEIWBCFKTWGONZ-UHFFFAOYSA-N 1 1 269.388 2.795 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000377614097 329020460 /nfs/dbraw/zinc/02/04/60/329020460.db2.gz HMAKBAQCHPSNSW-DLBZAZTESA-N 1 1 255.361 2.526 20 30 CFEDMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)CC(C)(C)CCC#N)C2 ZINC000377630125 329021870 /nfs/dbraw/zinc/02/18/70/329021870.db2.gz SKEKNKJQEMFMIS-YIONKMFJSA-N 1 1 263.429 2.873 20 30 CFEDMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)CC(C)(C)CCC#N)C2 ZINC000377630125 329021871 /nfs/dbraw/zinc/02/18/71/329021871.db2.gz SKEKNKJQEMFMIS-YIONKMFJSA-N 1 1 263.429 2.873 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000377733126 329027587 /nfs/dbraw/zinc/02/75/87/329027587.db2.gz SNVXWLUULZJZQS-FUHWJXTLSA-N 1 1 287.403 2.783 20 30 CFEDMO C=CC[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377731361 329027628 /nfs/dbraw/zinc/02/76/28/329027628.db2.gz DSWARSDXTPYTRB-JSGCOSHPSA-N 1 1 251.757 2.534 20 30 CFEDMO C#CCC[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000378321684 329046099 /nfs/dbraw/zinc/04/60/99/329046099.db2.gz BHMFSGSRRWKMFF-GOSISDBHSA-N 1 1 270.420 2.996 20 30 CFEDMO C#CCC[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000378321684 329046100 /nfs/dbraw/zinc/04/61/00/329046100.db2.gz BHMFSGSRRWKMFF-GOSISDBHSA-N 1 1 270.420 2.996 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000378321684 329046101 /nfs/dbraw/zinc/04/61/01/329046101.db2.gz BHMFSGSRRWKMFF-GOSISDBHSA-N 1 1 270.420 2.996 20 30 CFEDMO C#CCCN1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000378321684 329046102 /nfs/dbraw/zinc/04/61/02/329046102.db2.gz BHMFSGSRRWKMFF-GOSISDBHSA-N 1 1 270.420 2.996 20 30 CFEDMO C#CCCN1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000378321684 329046103 /nfs/dbraw/zinc/04/61/03/329046103.db2.gz BHMFSGSRRWKMFF-GOSISDBHSA-N 1 1 270.420 2.996 20 30 CFEDMO C=CCCC[N@H+](C)Cc1cc(-c2cccnc2)n[nH]1 ZINC000360059596 329071100 /nfs/dbraw/zinc/07/11/00/329071100.db2.gz PWOBUSLTAKIYRH-UHFFFAOYSA-N 1 1 256.353 2.870 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000582602544 329114087 /nfs/dbraw/zinc/11/40/87/329114087.db2.gz WUPSLFXZSBDCLN-CQSZACIVSA-N 1 1 295.390 2.595 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000174821763 329159695 /nfs/dbraw/zinc/15/96/95/329159695.db2.gz AOYPCLARZRLZLV-OAHLLOKOSA-N 1 1 291.439 2.555 20 30 CFEDMO C=CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccs1 ZINC000176196419 329172439 /nfs/dbraw/zinc/17/24/39/329172439.db2.gz MKLIWMWDSMTFPL-UHFFFAOYSA-N 1 1 292.364 2.541 20 30 CFEDMO CC(C)CC[N@@H+](CCC#N)CCC(=O)OC(C)(C)C ZINC000177031695 329178304 /nfs/dbraw/zinc/17/83/04/329178304.db2.gz ZYMKSLJYBUHTCN-UHFFFAOYSA-N 1 1 268.401 2.980 20 30 CFEDMO C=CC[N@@H+](CC[C@@H]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000177075312 329183041 /nfs/dbraw/zinc/18/30/41/329183041.db2.gz XAHWBQHDMBCALG-HRCADAONSA-N 1 1 299.480 2.878 20 30 CFEDMO C=CC[N@H+](CC[C@@H]1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000177075312 329183042 /nfs/dbraw/zinc/18/30/42/329183042.db2.gz XAHWBQHDMBCALG-HRCADAONSA-N 1 1 299.480 2.878 20 30 CFEDMO C=CCCCC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000178541858 329197789 /nfs/dbraw/zinc/19/77/89/329197789.db2.gz DIIDCUORNLQJKI-UHFFFAOYSA-N 1 1 275.396 2.558 20 30 CFEDMO Clc1cccc(C#CCN2CCC[N@H+](C3CC3)CC2)c1 ZINC000178926316 329202947 /nfs/dbraw/zinc/20/29/47/329202947.db2.gz HQJBNJNQIBYBQI-UHFFFAOYSA-N 1 1 288.822 2.862 20 30 CFEDMO C=C(C)CN(C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000180666616 329221774 /nfs/dbraw/zinc/22/17/74/329221774.db2.gz GFUXUZOCNXWUES-HNNXBMFYSA-N 1 1 281.444 2.716 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000181098284 329226055 /nfs/dbraw/zinc/22/60/55/329226055.db2.gz KAOCRTZNZJGAGL-ZNMIVQPWSA-N 1 1 279.428 2.609 20 30 CFEDMO C=C(C)C[N@@H+](C)C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000181252229 329227878 /nfs/dbraw/zinc/22/78/78/329227878.db2.gz ZHBZGHIDGFFHAZ-OAHLLOKOSA-N 1 1 263.381 2.551 20 30 CFEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000181271490 329228861 /nfs/dbraw/zinc/22/88/61/329228861.db2.gz ZISGOFHLWDCXTI-LBPRGKRZSA-N 1 1 291.351 2.738 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000181271490 329228862 /nfs/dbraw/zinc/22/88/62/329228862.db2.gz ZISGOFHLWDCXTI-LBPRGKRZSA-N 1 1 291.351 2.738 20 30 CFEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000181297602 329230334 /nfs/dbraw/zinc/23/03/34/329230334.db2.gz FWFCKWPWCOFFTL-UHFFFAOYSA-N 1 1 274.364 2.726 20 30 CFEDMO C=C(C)C[N@@H+](C)C[C@H](O)COc1cc(C)ccc1C ZINC000181308150 329230715 /nfs/dbraw/zinc/23/07/15/329230715.db2.gz BMPJDAUBZATWPQ-HNNXBMFYSA-N 1 1 263.381 2.551 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)NCc1cccc(OCCC)c1 ZINC000181332303 329231997 /nfs/dbraw/zinc/23/19/97/329231997.db2.gz ATVNBJWVDPPVEZ-UHFFFAOYSA-N 1 1 290.407 2.600 20 30 CFEDMO C[C@H]1CCC[C@H](CO)[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000181383976 329232166 /nfs/dbraw/zinc/23/21/66/329232166.db2.gz XKMNSBHNFCORHG-XJKSGUPXSA-N 1 1 277.795 2.927 20 30 CFEDMO CCOc1c(OC)cc(C[NH2+][C@H](CC)CC#N)cc1OC ZINC000184086838 329255710 /nfs/dbraw/zinc/25/57/10/329255710.db2.gz AGBYSTSGKINBOK-CYBMUJFWSA-N 1 1 292.379 2.884 20 30 CFEDMO CCCCN1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185799390 329332031 /nfs/dbraw/zinc/33/20/31/329332031.db2.gz PJALTOSXLVZLFF-ZBFHGGJFSA-N 1 1 263.429 2.923 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000185908563 329332421 /nfs/dbraw/zinc/33/24/21/329332421.db2.gz BDACUQCYRQLBJF-AWEZNQCLSA-N 1 1 289.423 2.804 20 30 CFEDMO CC#CCCCC(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000185947634 329333156 /nfs/dbraw/zinc/33/31/56/329333156.db2.gz YNGVREHDPSUXNN-UHFFFAOYSA-N 1 1 276.424 2.657 20 30 CFEDMO C=CCC1(C(=O)NCC[N@H+](CC)CCC)CCC1 ZINC000188696972 329371922 /nfs/dbraw/zinc/37/19/22/329371922.db2.gz GOZWWVIVDCSTQJ-UHFFFAOYSA-N 1 1 252.402 2.581 20 30 CFEDMO N#CC1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000123715583 329562016 /nfs/dbraw/zinc/56/20/16/329562016.db2.gz RTYBCPANNHMNGB-UHFFFAOYSA-N 1 1 284.338 2.951 20 30 CFEDMO CCOC(=O)[C@@H](CC(C)C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000419262130 329714711 /nfs/dbraw/zinc/71/47/11/329714711.db2.gz RYHZBEVONFBBSZ-MELADBBJSA-N 1 1 266.385 2.636 20 30 CFEDMO Cc1ccc2nc(CNC(=[NH2+])N3CCCCCC3)[nH]c2c1 ZINC000262438107 330012770 /nfs/dbraw/zinc/01/27/70/330012770.db2.gz CLKXZQJUVYZXPH-UHFFFAOYSA-N 1 1 285.395 2.562 20 30 CFEDMO CC[NH+]=C(NCc1cn[nH]c1C)N1CC[C@H](CC(C)C)C1 ZINC000262457201 330014359 /nfs/dbraw/zinc/01/43/59/330014359.db2.gz LMKIFFMIXIJJOL-CQSZACIVSA-N 1 1 291.443 2.552 20 30 CFEDMO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000421709699 330069225 /nfs/dbraw/zinc/06/92/25/330069225.db2.gz GLUBPZPEUMCDHG-SJORKVTESA-N 1 1 299.418 2.627 20 30 CFEDMO C=C[C@@H](CC(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000421713194 330069478 /nfs/dbraw/zinc/06/94/78/330069478.db2.gz SABZZHZDMZXEIX-RDJZCZTQSA-N 1 1 286.419 2.899 20 30 CFEDMO C=CCCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269668810 330070260 /nfs/dbraw/zinc/07/02/60/330070260.db2.gz TXGNAWWCIYVSHJ-AWEZNQCLSA-N 1 1 264.325 2.526 20 30 CFEDMO C=CCC(C)(C)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000572428763 330071909 /nfs/dbraw/zinc/07/19/09/330071909.db2.gz LJAZNLPJAQJEDN-AWEZNQCLSA-N 1 1 266.429 2.969 20 30 CFEDMO C=CC[C@H](C)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273356791 330090583 /nfs/dbraw/zinc/09/05/83/330090583.db2.gz CTBUFVSSSZFQIK-WDEREUQCSA-N 1 1 263.337 2.794 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1Cl ZINC000276420213 330113622 /nfs/dbraw/zinc/11/36/22/330113622.db2.gz MNECBXBRXXCMIX-LBPRGKRZSA-N 1 1 280.799 2.853 20 30 CFEDMO C[C@H]1C[C@@H](NCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000379646253 330145268 /nfs/dbraw/zinc/14/52/68/330145268.db2.gz FBDAUBZLQIKOQH-HOCLYGCPSA-N 1 1 257.381 2.543 20 30 CFEDMO C=CCOc1ccccc1CN[C@H]1CCCC[C@H]1C[NH3+] ZINC000422906786 330159886 /nfs/dbraw/zinc/15/98/86/330159886.db2.gz KJFMKEXQIQGWTD-HOCLYGCPSA-N 1 1 274.408 2.859 20 30 CFEDMO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC(C)(C)CCC#N ZINC000423119122 330171092 /nfs/dbraw/zinc/17/10/92/330171092.db2.gz DHMFHGKFQMHCMR-HOCLYGCPSA-N 1 1 273.424 2.864 20 30 CFEDMO N#CC1(c2ccccc2)CCC(NC[C@@H]2CCC[NH2+]2)CC1 ZINC000423229240 330180672 /nfs/dbraw/zinc/18/06/72/330180672.db2.gz ALAOHCZDYBSPOO-ADKAHSJRSA-N 1 1 283.419 2.732 20 30 CFEDMO CC(C)(N)C[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423289342 330186620 /nfs/dbraw/zinc/18/66/20/330186620.db2.gz WWGKBUFZGKLZHL-UHFFFAOYSA-N 1 1 271.408 2.717 20 30 CFEDMO CCc1ccccc1[C@H]([NH3+])CN[C@H]1CCC[C@@H](C#N)C1 ZINC000423505307 330208856 /nfs/dbraw/zinc/20/88/56/330208856.db2.gz OJXHLJZHAZYEOW-UKPHBRMFSA-N 1 1 271.408 2.921 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H]2CCc3ccc(Cl)cc32)nn1 ZINC000424134409 330266660 /nfs/dbraw/zinc/26/66/60/330266660.db2.gz IBQXRKHRKCWBKM-OAHLLOKOSA-N 1 1 288.782 2.895 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H]2CCCc3cc(F)ccc32)nn1 ZINC000424289767 330334387 /nfs/dbraw/zinc/33/43/87/330334387.db2.gz 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CFEDMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1CCCCC(C)(C)C#N ZINC000235735336 333371768 /nfs/dbraw/zinc/37/17/68/333371768.db2.gz RQBAPGXZHQUELB-LSDHHAIUSA-N 1 1 263.429 2.875 20 30 CFEDMO C#C[C@@H](CC)[NH2+]Cc1cccc(O)c1Br ZINC000315761176 333383607 /nfs/dbraw/zinc/38/36/07/333383607.db2.gz SXQJIDOLMRYMEP-JTQLQIEISA-N 1 1 268.154 2.656 20 30 CFEDMO CC[C@](C)(C#N)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000288483012 333384563 /nfs/dbraw/zinc/38/45/63/333384563.db2.gz PYWZELQASSYNCQ-CRAIPNDOSA-N 1 1 299.418 2.659 20 30 CFEDMO CC[C@](C)(C#N)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000288483012 333384565 /nfs/dbraw/zinc/38/45/65/333384565.db2.gz PYWZELQASSYNCQ-CRAIPNDOSA-N 1 1 299.418 2.659 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000288483017 333384696 /nfs/dbraw/zinc/38/46/96/333384696.db2.gz PYWZELQASSYNCQ-QAPCUYQASA-N 1 1 299.418 2.659 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000288483017 333384695 /nfs/dbraw/zinc/38/46/95/333384695.db2.gz 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N#Cc1cc(C[N@H+](CCO)C2CCCCC2)ccc1F ZINC000229891877 526548904 /nfs/dbraw/zinc/54/89/04/526548904.db2.gz ZBJFRLQYUSDXKZ-UHFFFAOYSA-N 1 1 276.355 2.824 20 30 CFEDMO C=C(C)C[N@@H+](CCCSCC#N)Cc1ccc(CO)o1 ZINC000352815602 526550817 /nfs/dbraw/zinc/55/08/17/526550817.db2.gz KUQUEYCORKXTEH-UHFFFAOYSA-N 1 1 294.420 2.797 20 30 CFEDMO C=C(C)CN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(CO)o1 ZINC000352796602 526553394 /nfs/dbraw/zinc/55/33/94/526553394.db2.gz GWBRBRCYUUDQGO-HNNXBMFYSA-N 1 1 292.423 2.634 20 30 CFEDMO C=C(C)C[N@H+](CC[C@H](C)F)Cc1ccc(CO)o1 ZINC000352814880 526553613 /nfs/dbraw/zinc/55/36/13/526553613.db2.gz KDZUYSCGPDAOEP-LBPRGKRZSA-N 1 1 255.333 2.898 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000171379632 526558513 /nfs/dbraw/zinc/55/85/13/526558513.db2.gz CDWCGWOYZBKRJB-CYBMUJFWSA-N 1 1 284.338 2.800 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000171379632 526558525 /nfs/dbraw/zinc/55/85/25/526558525.db2.gz CDWCGWOYZBKRJB-CYBMUJFWSA-N 1 1 284.338 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276.405 2.747 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1F ZINC000336085717 526613689 /nfs/dbraw/zinc/61/36/89/526613689.db2.gz MORDWUJQMCUGSA-HOTGVXAUSA-N 1 1 288.366 2.946 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCOCC3(CCC3)C2)c(F)c1 ZINC000334913676 526615458 /nfs/dbraw/zinc/61/54/58/526615458.db2.gz IGXLYEGCQWDSDL-UHFFFAOYSA-N 1 1 274.339 2.700 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCOCC3(CCC3)C2)c(F)c1 ZINC000334913676 526615460 /nfs/dbraw/zinc/61/54/60/526615460.db2.gz IGXLYEGCQWDSDL-UHFFFAOYSA-N 1 1 274.339 2.700 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c(Cl)c1 ZINC000336430996 526617031 /nfs/dbraw/zinc/61/70/31/526617031.db2.gz PFPKJHMSUACACM-HNNXBMFYSA-N 1 1 276.767 2.558 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000156357671 526617413 /nfs/dbraw/zinc/61/74/13/526617413.db2.gz ADBMHEIJSJNYSB-KRWDZBQOSA-N 1 1 279.343 2.607 20 30 CFEDMO N#Cc1ccc(C[NH2+][C@H]2COc3ccc(F)cc32)s1 ZINC000336035318 526626798 /nfs/dbraw/zinc/62/67/98/526626798.db2.gz RCCMSRMSAZPBPD-ZDUSSCGKSA-N 1 1 274.320 2.982 20 30 CFEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000335040219 526640238 /nfs/dbraw/zinc/64/02/38/526640238.db2.gz MHUSVTIVLFGQJT-INIZCTEOSA-N 1 1 274.339 2.700 20 30 CFEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000335040219 526640242 /nfs/dbraw/zinc/64/02/42/526640242.db2.gz MHUSVTIVLFGQJT-INIZCTEOSA-N 1 1 274.339 2.700 20 30 CFEDMO N#Cc1ccc(NC(=O)C[N@H+]2CCCC3(CCC3)C2)cc1 ZINC000366339425 526650370 /nfs/dbraw/zinc/65/03/70/526650370.db2.gz KTQKKHFSLOSDRL-UHFFFAOYSA-N 1 1 283.375 2.763 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000336351896 526735967 /nfs/dbraw/zinc/73/59/67/526735967.db2.gz VJTRQRWVFWZLBS-QGZVFWFLSA-N 1 1 270.376 2.949 20 30 CFEDMO C=CCOCCC[N@H+](C)CCOc1cccc(C)c1 ZINC000347958811 526746100 /nfs/dbraw/zinc/74/61/00/526746100.db2.gz CECPYVDTKBVLPX-UHFFFAOYSA-N 1 1 263.381 2.898 20 30 CFEDMO N#Cc1ccnc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c1Cl ZINC000236051333 526762946 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CC(C)(C)n1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cn1 ZINC000330269163 526926924 /nfs/dbraw/zinc/92/69/24/526926924.db2.gz RTEPUMITBZAPBL-ZDUSSCGKSA-N 1 1 276.384 2.853 20 30 CFEDMO CC(C)(C)n1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cn1 ZINC000330269163 526926929 /nfs/dbraw/zinc/92/69/29/526926929.db2.gz RTEPUMITBZAPBL-ZDUSSCGKSA-N 1 1 276.384 2.853 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CCSC[C@H]1CCO ZINC000355082132 526933753 /nfs/dbraw/zinc/93/37/53/526933753.db2.gz PPRZVESKFPJIAT-OAHLLOKOSA-N 1 1 293.432 2.551 20 30 CFEDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000449759817 536505529 /nfs/dbraw/zinc/50/55/29/536505529.db2.gz KTYDEBJUJDRQJO-MRXNPFEDSA-N 1 1 258.365 2.868 20 30 CFEDMO C=CC1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347807674 526980176 /nfs/dbraw/zinc/98/01/76/526980176.db2.gz GYCOJGVTQUGNFO-UHFFFAOYSA-N 1 1 265.426 2.603 20 30 CFEDMO C=CCCCC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344618713 527108683 /nfs/dbraw/zinc/10/86/83/527108683.db2.gz PUSKCYJFSPYCNG-CYBMUJFWSA-N 1 1 252.402 2.579 20 30 CFEDMO C=C[C@@H](C)NC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000355057788 527411720 /nfs/dbraw/zinc/41/17/20/527411720.db2.gz LLEWPLNPAYZRII-HIFRSBDPSA-N 1 1 260.381 2.588 20 30 CFEDMO CC(C)(C#N)CCN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000347069959 527468423 /nfs/dbraw/zinc/46/84/23/527468423.db2.gz CPHNNMKYRPTYJS-ROUUACIJSA-N 1 1 297.446 2.990 20 30 CFEDMO CC(C)(C#N)CC[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000347069959 527468426 /nfs/dbraw/zinc/46/84/26/527468426.db2.gz CPHNNMKYRPTYJS-ROUUACIJSA-N 1 1 297.446 2.990 20 30 CFEDMO C=C[C@H](C)NC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000355057793 527566966 /nfs/dbraw/zinc/56/69/66/527566966.db2.gz LLEWPLNPAYZRII-ZFWWWQNUSA-N 1 1 260.381 2.588 20 30 CFEDMO C=CCN(C)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000347468086 527567828 /nfs/dbraw/zinc/56/78/28/527567828.db2.gz RRLPPCBFPMCMFC-MNOVXSKESA-N 1 1 292.345 2.540 20 30 CFEDMO C=CCN(C)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000347468083 527568413 /nfs/dbraw/zinc/56/84/13/527568413.db2.gz RRLPPCBFPMCMFC-GHMZBOCLSA-N 1 1 292.345 2.540 20 30 CFEDMO C=CC[N@@H+](CC1CC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000353518623 527592257 /nfs/dbraw/zinc/59/22/57/527592257.db2.gz LFXSYIHOHYEQGC-CYBMUJFWSA-N 1 1 283.379 2.621 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCCCC[C@@H]1CC ZINC000351896000 527607305 /nfs/dbraw/zinc/60/73/05/527607305.db2.gz CXBBGIQENCTTOI-HNNXBMFYSA-N 1 1 264.413 2.842 20 30 CFEDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000336360306 527629700 /nfs/dbraw/zinc/62/97/00/527629700.db2.gz AMITUVMHDUXUJL-LBPRGKRZSA-N 1 1 286.404 2.733 20 30 CFEDMO CC[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@H](C)O ZINC000352231200 527879431 /nfs/dbraw/zinc/87/94/31/527879431.db2.gz PXGVFDYCROSLDB-LBPRGKRZSA-N 1 1 285.309 2.760 20 30 CFEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCC(C)(C)C#N)C1 ZINC000347137470 527931406 /nfs/dbraw/zinc/93/14/06/527931406.db2.gz WAVDFNAAYQTVQS-INIZCTEOSA-N 1 1 280.412 2.837 20 30 CFEDMO CC1=CC[N@@H+](CCNC(=O)c2cn(C)nc2C(C)C)CC1 ZINC000329115963 528114649 /nfs/dbraw/zinc/11/46/49/528114649.db2.gz SYVSDDLKSSLTGR-UHFFFAOYSA-N 1 1 290.411 2.500 20 30 CFEDMO CCC[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C1CC1 ZINC000173662264 528155382 /nfs/dbraw/zinc/15/53/82/528155382.db2.gz UGBHXOHHLNUSDL-UHFFFAOYSA-N 1 1 282.347 2.983 20 30 CFEDMO CCC(=O)CCC[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000347753770 528287306 /nfs/dbraw/zinc/28/73/06/528287306.db2.gz KRFNSDBQYJYGMC-SFHVURJKSA-N 1 1 299.418 2.628 20 30 CFEDMO CC[N@H+](CCCCC#N)CCN1CCCCCC1 ZINC000347301860 528430437 /nfs/dbraw/zinc/43/04/37/528430437.db2.gz DQLGLRGXFINFQD-UHFFFAOYSA-N 1 1 251.418 2.878 20 30 CFEDMO CC[N@@H+](CCCCC#N)CCN1CCCCCC1 ZINC000347301860 528430440 /nfs/dbraw/zinc/43/04/40/528430440.db2.gz DQLGLRGXFINFQD-UHFFFAOYSA-N 1 1 251.418 2.878 20 30 CFEDMO CCOC(=O)CC(C)(C)CC[N@@H+](CC)CCC#N ZINC000347052896 528662026 /nfs/dbraw/zinc/66/20/26/528662026.db2.gz LQNNVLSCEFOKAT-UHFFFAOYSA-N 1 1 254.374 2.591 20 30 CFEDMO 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CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192035905 618420381 /nfs/dbraw/zinc/42/03/81/618420381.db2.gz XYIOAKNADWJJEN-ZDUSSCGKSA-N 1 1 278.396 2.734 20 30 CFEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192035905 618420384 /nfs/dbraw/zinc/42/03/84/618420384.db2.gz XYIOAKNADWJJEN-ZDUSSCGKSA-N 1 1 278.396 2.734 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC ZINC001024620883 618423566 /nfs/dbraw/zinc/42/35/66/618423566.db2.gz DNSQPQGTMODFOM-KRWDZBQOSA-N 1 1 298.430 2.857 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccnc1C ZINC001024625205 618424749 /nfs/dbraw/zinc/42/47/49/618424749.db2.gz KNZJKNADPHHSIY-OAHLLOKOSA-N 1 1 287.407 2.550 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000794575250 618435272 /nfs/dbraw/zinc/43/52/72/618435272.db2.gz VIGJKLLZUJNRBV-ZDUSSCGKSA-N 1 1 280.412 2.587 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C=C)cc1 ZINC001024671917 618437134 /nfs/dbraw/zinc/43/71/34/618437134.db2.gz NRSHBSFTVZCJPC-QGZVFWFLSA-N 1 1 282.387 2.547 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001024671944 618438667 /nfs/dbraw/zinc/43/86/67/618438667.db2.gz OKSCSPGHXUXOGP-INIZCTEOSA-N 1 1 290.382 2.904 20 30 CFEDMO C=C(Cl)C[NH2+]Cc1ccc(C(=O)OC)c(C)c1 ZINC000893350799 618448931 /nfs/dbraw/zinc/44/89/31/618448931.db2.gz MMWRUWFVLSTJRP-UHFFFAOYSA-N 1 1 253.729 2.624 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1csc(C)c1 ZINC001024710593 618450852 /nfs/dbraw/zinc/45/08/52/618450852.db2.gz XDFRYGXQHIEFLT-HNNXBMFYSA-N 1 1 290.432 2.664 20 30 CFEDMO CCC[N@@H+](CC)CCNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000177580147 618452714 /nfs/dbraw/zinc/45/27/14/618452714.db2.gz KILJJEDKRISWPC-HNNXBMFYSA-N 1 1 289.423 2.799 20 30 CFEDMO CCCN(CC)CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000177580147 618452720 /nfs/dbraw/zinc/45/27/20/618452720.db2.gz KILJJEDKRISWPC-HNNXBMFYSA-N 1 1 289.423 2.799 20 30 CFEDMO C#CCN(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000726184244 618454073 /nfs/dbraw/zinc/45/40/73/618454073.db2.gz AGARDRRGXQPIQJ-WBVHZDCISA-N 1 1 256.393 2.777 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024745307 618459644 /nfs/dbraw/zinc/45/96/44/618459644.db2.gz SPYNWOXDBYHZNE-JKSUJKDBSA-N 1 1 288.435 2.561 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)cc1 ZINC001024773022 618466840 /nfs/dbraw/zinc/46/68/40/618466840.db2.gz AEDOYSFSASHRKJ-KRWDZBQOSA-N 1 1 284.403 2.603 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001024785446 618469512 /nfs/dbraw/zinc/46/95/12/618469512.db2.gz KJQOUXOYEUSQRX-QGZVFWFLSA-N 1 1 298.430 2.911 20 30 CFEDMO C(=[NH+]OCCC1CC1)c1ccc(N2CCOCC2)s1 ZINC000814245447 618471507 /nfs/dbraw/zinc/47/15/07/618471507.db2.gz SLFBKBGOGVGXBM-UHFFFAOYSA-N 1 1 280.393 2.735 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](C[C@H]2C[C@]2(C)Br)C1 ZINC000895206967 618472022 /nfs/dbraw/zinc/47/20/22/618472022.db2.gz YRTGLGBVZAXUGQ-UTUOFQBUSA-N 1 1 256.187 2.505 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]cc1C ZINC001024801848 618474795 /nfs/dbraw/zinc/47/47/95/618474795.db2.gz OXHLZSAPEKGKTR-HNNXBMFYSA-N 1 1 289.423 2.874 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C2CC2)cc1 ZINC001024809671 618475111 /nfs/dbraw/zinc/47/51/11/618475111.db2.gz VGPBAGJJYTVGER-GOSISDBHSA-N 1 1 296.414 2.782 20 30 CFEDMO C(#Cc1ccccc1)CN[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000895225012 618484921 /nfs/dbraw/zinc/48/49/21/618484921.db2.gz BMZNYIPAXRSZTK-ROUUACIJSA-N 1 1 268.404 2.645 20 30 CFEDMO C(#Cc1ccccc1)CN[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000895225012 618484923 /nfs/dbraw/zinc/48/49/23/618484923.db2.gz BMZNYIPAXRSZTK-ROUUACIJSA-N 1 1 268.404 2.645 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+]1CCCC[C@@H]1[C@@H](C)CN(C)C ZINC000895382069 618560584 /nfs/dbraw/zinc/56/05/84/618560584.db2.gz ZKJAFTAGPQSPSZ-OWCLPIDISA-N 1 1 265.445 2.978 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1[C@@H](C)CN(C)C ZINC000895382069 618560589 /nfs/dbraw/zinc/56/05/89/618560589.db2.gz ZKJAFTAGPQSPSZ-OWCLPIDISA-N 1 1 265.445 2.978 20 30 CFEDMO C#CC1(O)CC[NH+](Cc2coc(-c3ccc(C)cc3)n2)CC1 ZINC000895382508 618560628 /nfs/dbraw/zinc/56/06/28/618560628.db2.gz HRNYUHDBHOUIGR-UHFFFAOYSA-N 1 1 296.370 2.610 20 30 CFEDMO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000895450231 618592890 /nfs/dbraw/zinc/59/28/90/618592890.db2.gz DPCSYWWGZXKAIJ-DVOMOZLQSA-N 1 1 293.411 2.525 20 30 CFEDMO COc1nccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1F ZINC000892521294 618606429 /nfs/dbraw/zinc/60/64/29/618606429.db2.gz PHYRDAWDRHQGPK-LLVKDONJSA-N 1 1 285.322 2.952 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc(O)ccc1Br)C(C)C ZINC000309331275 618624600 /nfs/dbraw/zinc/62/46/00/618624600.db2.gz HVXGYGSDNGJGCW-ZDUSSCGKSA-N 1 1 282.181 2.902 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H](C)[C@H](C)O1 ZINC000782624346 618649216 /nfs/dbraw/zinc/64/92/16/618649216.db2.gz UYNVAYYONUACEV-RDBSUJKOSA-N 1 1 274.364 2.587 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(F)(F)C2)C1 ZINC001007469781 618686947 /nfs/dbraw/zinc/68/69/47/618686947.db2.gz PWLAOHQCLOZQPW-OLZOCXBDSA-N 1 1 286.366 2.579 20 30 CFEDMO N#Cc1ccc(N[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000062791132 618702220 /nfs/dbraw/zinc/70/22/20/618702220.db2.gz AWRQUANQWPLOLU-LLVKDONJSA-N 1 1 261.756 2.860 20 30 CFEDMO C=C(Cl)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000066697096 618703170 /nfs/dbraw/zinc/70/31/70/618703170.db2.gz LXLBDCYUGZENDB-UHFFFAOYSA-N 1 1 250.773 2.557 20 30 CFEDMO C=CCCCN(CC)C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000892695180 618715376 /nfs/dbraw/zinc/71/53/76/618715376.db2.gz HXAFJHGQBZKNJM-AWEZNQCLSA-N 1 1 269.433 2.714 20 30 CFEDMO CC(C)CCC(N)=[NH+]OCc1c(F)cccc1[N+](=O)[O-] ZINC000171611390 618733831 /nfs/dbraw/zinc/73/38/31/618733831.db2.gz GKGLNLQRMZDDOX-UHFFFAOYSA-N 1 1 283.303 2.959 20 30 CFEDMO NC(=[NH+]OCc1ccn(-c2ccccc2)n1)C1CCCC1 ZINC000171752977 618736046 /nfs/dbraw/zinc/73/60/46/618736046.db2.gz ZSDJPHIZNRHMOV-UHFFFAOYSA-N 1 1 284.363 2.851 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000678049613 618740433 /nfs/dbraw/zinc/74/04/33/618740433.db2.gz MYKUJXKWLUMCGV-RHSMWYFYSA-N 1 1 277.408 2.743 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000678049612 618740493 /nfs/dbraw/zinc/74/04/93/618740493.db2.gz MYKUJXKWLUMCGV-PBHICJAKSA-N 1 1 277.408 2.743 20 30 CFEDMO C[C@@H]1CCCC[C@H]1N(C)C(=O)CO[NH+]=C(N)C1CCCC1 ZINC000178302220 618742421 /nfs/dbraw/zinc/74/24/21/618742421.db2.gz AFGRMLKLWVYESO-TZMCWYRMSA-N 1 1 295.427 2.503 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000892808913 618749533 /nfs/dbraw/zinc/74/95/33/618749533.db2.gz FGTJCLNUFANLTO-CVEARBPZSA-N 1 1 297.402 2.532 20 30 CFEDMO CC(C)c1noc([C@H](C)O[NH+]=C(N)C2CCCC2)n1 ZINC000172713098 618750272 /nfs/dbraw/zinc/75/02/72/618750272.db2.gz XQBLMFXJHRIICD-VIFPVBQESA-N 1 1 266.345 2.733 20 30 CFEDMO Cc1[nH+]ccn1CCCNC(=O)c1c(C)cc(C#N)cc1C ZINC000892918666 618769850 /nfs/dbraw/zinc/76/98/50/618769850.db2.gz ZIEGHSNSJRBWHA-UHFFFAOYSA-N 1 1 296.374 2.500 20 30 CFEDMO N#CC1(CN[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCCC1 ZINC000926874284 618778170 /nfs/dbraw/zinc/77/81/70/618778170.db2.gz NJDVLDKFXJZRLS-HUUCEWRRSA-N 1 1 261.413 2.677 20 30 CFEDMO N#CC1(CN[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCCC1 ZINC000926874284 618778172 /nfs/dbraw/zinc/77/81/72/618778172.db2.gz NJDVLDKFXJZRLS-HUUCEWRRSA-N 1 1 261.413 2.677 20 30 CFEDMO C#C[C@H](C)[N@H+](C)C[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000775183996 618848920 /nfs/dbraw/zinc/84/89/20/618848920.db2.gz RJIJZCYIPHNJSN-STQMWFEESA-N 1 1 263.356 2.966 20 30 CFEDMO C[C@H]1C[C@@H](C(=O)Nc2cc(C#N)c(F)cc2F)CC[N@H+]1C ZINC000893170790 618861100 /nfs/dbraw/zinc/86/11/00/618861100.db2.gz LNRPRGQOYWRIMX-UWVGGRQHSA-N 1 1 293.317 2.505 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000930589158 618876277 /nfs/dbraw/zinc/87/62/77/618876277.db2.gz JMKDQBZVVWFALW-AWEZNQCLSA-N 1 1 264.756 2.558 20 30 CFEDMO CC(C)C[N@H+]1CCC[C@@H](CNCC#Cc2ccccc2)C1 ZINC000893201036 618880761 /nfs/dbraw/zinc/88/07/61/618880761.db2.gz STLHOALPRZJVPG-IBGZPJMESA-N 1 1 284.447 2.996 20 30 CFEDMO CCC[N@H+]1CC[C@@H](Nc2snc(Cl)c2C#N)C1 ZINC000853905672 618882950 /nfs/dbraw/zinc/88/29/50/618882950.db2.gz DQTSEOJGKCFQFA-MRVPVSSYSA-N 1 1 270.789 2.564 20 30 CFEDMO C[C@@H](C#N)OCC[NH2+][C@H](C(F)F)C1CCCCC1 ZINC000856822340 618934827 /nfs/dbraw/zinc/93/48/27/618934827.db2.gz JTDHWCFRPTUHEU-JQWIXIFHSA-N 1 1 260.328 2.719 20 30 CFEDMO C=CCCC[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832379632 625304991 /nfs/dbraw/zinc/30/49/91/625304991.db2.gz MKBACUKNVQEOMF-UHFFFAOYSA-N 1 1 254.399 2.769 20 30 CFEDMO C=CCCC[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832379632 625304994 /nfs/dbraw/zinc/30/49/94/625304994.db2.gz MKBACUKNVQEOMF-UHFFFAOYSA-N 1 1 254.399 2.769 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)c2ccccc2)C1 ZINC001009451306 618994018 /nfs/dbraw/zinc/99/40/18/618994018.db2.gz ADGCGMXRPSWRBF-KRWDZBQOSA-N 1 1 298.430 2.568 20 30 CFEDMO N#CCc1cccc(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC000909368676 619011765 /nfs/dbraw/zinc/01/17/65/619011765.db2.gz YSQPMBHTERCFNT-CVEARBPZSA-N 1 1 283.375 2.708 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001009696298 619015013 /nfs/dbraw/zinc/01/50/13/619015013.db2.gz JICFQHFMIIEQCB-GPANFISMSA-N 1 1 290.451 2.663 20 30 CFEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001009696298 619015017 /nfs/dbraw/zinc/01/50/17/619015017.db2.gz JICFQHFMIIEQCB-GPANFISMSA-N 1 1 290.451 2.663 20 30 CFEDMO C[C@@H]1CCCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000070409591 625312656 /nfs/dbraw/zinc/31/26/56/625312656.db2.gz LIXCQNPJRBIKFK-CJNGLKHVSA-N 1 1 258.365 2.856 20 30 CFEDMO C#CCOc1ccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1 ZINC000093837307 619061076 /nfs/dbraw/zinc/06/10/76/619061076.db2.gz GCNKERDDEODRGR-INIZCTEOSA-N 1 1 275.392 2.537 20 30 CFEDMO CCCCCC[C@H]1CCCC1N=NC1=[NH+]CCN1 ZINC000841659066 619061930 /nfs/dbraw/zinc/06/19/30/619061930.db2.gz KWXOCKBFWSEQGS-LBPRGKRZSA-N 1 1 250.390 2.662 20 30 CFEDMO N#CC1CCC(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)CC1 ZINC000931753301 619113810 /nfs/dbraw/zinc/11/38/10/619113810.db2.gz QSJCXSSVTAUBOH-SSHXOBKSSA-N 1 1 262.397 2.817 20 30 CFEDMO CC(C)[N@H+]1CCCN(C(=O)Nc2sccc2C#N)CC1 ZINC000931848171 619128395 /nfs/dbraw/zinc/12/83/95/619128395.db2.gz UVYDZCDWSFSFJN-UHFFFAOYSA-N 1 1 292.408 2.568 20 30 CFEDMO C#CCCCCC[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932133133 619195288 /nfs/dbraw/zinc/19/52/88/619195288.db2.gz RUPKIFKMGYFCKJ-OAHLLOKOSA-N 1 1 259.397 2.793 20 30 CFEDMO N#C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000932158268 619200308 /nfs/dbraw/zinc/20/03/08/619200308.db2.gz BXMOCFAQOOMORW-GFCCVEGCSA-N 1 1 291.782 2.904 20 30 CFEDMO N#C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000932158268 619200309 /nfs/dbraw/zinc/20/03/09/619200309.db2.gz BXMOCFAQOOMORW-GFCCVEGCSA-N 1 1 291.782 2.904 20 30 CFEDMO CCCCCCCC(=O)N1CC[C@@H]([NH+]2CCC2)[C@H](F)C1 ZINC000834600548 625733652 /nfs/dbraw/zinc/73/36/52/625733652.db2.gz QXYKRILIRVKBLR-HUUCEWRRSA-N 1 1 284.419 2.992 20 30 CFEDMO Cc1nn(C(C)C)c(C)c1C[NH2+]Cc1ccc(C#N)cn1 ZINC000893869167 619231436 /nfs/dbraw/zinc/23/14/36/619231436.db2.gz SGFPWPRULYWIGQ-UHFFFAOYSA-N 1 1 283.379 2.637 20 30 CFEDMO C#CC1(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000893905796 619239310 /nfs/dbraw/zinc/23/93/10/619239310.db2.gz QXNQODNJBBEOBP-QGZVFWFLSA-N 1 1 296.414 2.571 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(C#N)cc1CO ZINC000893893995 619241051 /nfs/dbraw/zinc/24/10/51/619241051.db2.gz DPKXLVOIJROQJA-ZDUSSCGKSA-N 1 1 275.396 2.583 20 30 CFEDMO C=CC[N@H+](C[C@H](C)CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000878241295 619258508 /nfs/dbraw/zinc/25/85/08/619258508.db2.gz DKVVHHKHUPYYBQ-ZIAGYGMSSA-N 1 1 287.469 2.734 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)COCCOC)c1ccc(Cl)cc1F ZINC000894406065 619372379 /nfs/dbraw/zinc/37/23/79/619372379.db2.gz KOWKOPCJLHKSEP-NHYWBVRUSA-N 1 1 299.773 2.795 20 30 CFEDMO C[N@H+](C[C@H]1C[C@]1(C)Br)CC(C)(C)C#N ZINC000894611089 619429512 /nfs/dbraw/zinc/42/95/12/619429512.db2.gz SUYPWNUXQCSQOO-KOLCDFICSA-N 1 1 259.191 2.641 20 30 CFEDMO C[N@@H+](C[C@H]1C[C@]1(C)Br)CC(C)(C)C#N ZINC000894611089 619429513 /nfs/dbraw/zinc/42/95/13/619429513.db2.gz SUYPWNUXQCSQOO-KOLCDFICSA-N 1 1 259.191 2.641 20 30 CFEDMO C#CC[N@H+](C)CCCNCc1ccc(C(F)F)c(F)c1 ZINC000894638780 619434212 /nfs/dbraw/zinc/43/42/12/619434212.db2.gz FWNXNJXHPCSZOD-UHFFFAOYSA-N 1 1 284.325 2.808 20 30 CFEDMO C#CC[N@@H+](C)CCCNCc1ccc(C(F)F)c(F)c1 ZINC000894638780 619434213 /nfs/dbraw/zinc/43/42/13/619434213.db2.gz FWNXNJXHPCSZOD-UHFFFAOYSA-N 1 1 284.325 2.808 20 30 CFEDMO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C3(C#N)CC3)cc2)[nH]1 ZINC000894775950 619461778 /nfs/dbraw/zinc/46/17/78/619461778.db2.gz BCPIZQKHWJJUDJ-LLVKDONJSA-N 1 1 281.363 2.519 20 30 CFEDMO C=CCCCC[N@@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC000880307723 619477554 /nfs/dbraw/zinc/47/75/54/619477554.db2.gz TUJSVWNKENOXBX-NSHDSACASA-N 1 1 251.292 2.996 20 30 CFEDMO C=C(CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000894847764 619481623 /nfs/dbraw/zinc/48/16/23/619481623.db2.gz GARAEBRJWIEIJV-IAGOWNOFSA-N 1 1 299.418 2.578 20 30 CFEDMO COC(=O)c1ccc(CO[NH+]=C(N)C2CCCC2)c(F)c1 ZINC000178927141 619501168 /nfs/dbraw/zinc/50/11/68/619501168.db2.gz IAWKYEGFHLZKEJ-UHFFFAOYSA-N 1 1 294.326 2.591 20 30 CFEDMO CC[N@H+](Cc1c(O)ccc2ccncc21)C[C@H](C)C#N ZINC000726960954 619511551 /nfs/dbraw/zinc/51/15/51/619511551.db2.gz IMTFNPVLDFOLEW-GFCCVEGCSA-N 1 1 269.348 2.922 20 30 CFEDMO Cc1cc(C#N)nc(NC[C@@H]2c3ccccc3C[N@H+]2C)c1 ZINC000895018444 619529420 /nfs/dbraw/zinc/52/94/20/619529420.db2.gz OKACTJCXENFOTA-MRXNPFEDSA-N 1 1 278.359 2.860 20 30 CFEDMO Cc1cc(C#N)nc(NC[C@@H]2c3ccccc3C[N@@H+]2C)c1 ZINC000895018444 619529421 /nfs/dbraw/zinc/52/94/21/619529421.db2.gz OKACTJCXENFOTA-MRXNPFEDSA-N 1 1 278.359 2.860 20 30 CFEDMO C#CC[N@H+](CC(=O)NCc1cccs1)C1CCCCC1 ZINC000049442253 619533390 /nfs/dbraw/zinc/53/33/90/619533390.db2.gz YTVJOYJHIHHQNC-UHFFFAOYSA-N 1 1 290.432 2.632 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+](Cc2cccc3[nH]c(=O)oc32)C1 ZINC000895560311 619555640 /nfs/dbraw/zinc/55/56/40/619555640.db2.gz QXGGUZVCATULDL-LLVKDONJSA-N 1 1 258.321 2.931 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](CF)C2)cc1 ZINC000895576461 619558915 /nfs/dbraw/zinc/55/89/15/619558915.db2.gz ZMTNGBYCXSUICJ-TZMCWYRMSA-N 1 1 262.328 2.769 20 30 CFEDMO C=CCC[C@H](CC)[NH2+][C@H](CC1CCOCC1)C(=O)OC ZINC000895589577 619562268 /nfs/dbraw/zinc/56/22/68/619562268.db2.gz HWEXVEKTORWJIQ-LSDHHAIUSA-N 1 1 283.412 2.679 20 30 CFEDMO C=C(C)C[C@H]([NH2+]C[C@@H]1CCO[C@@H](CC)C1)C(=O)OCC ZINC000895598246 619563535 /nfs/dbraw/zinc/56/35/35/619563535.db2.gz PUOLVDXGOBHJBS-ILXRZTDVSA-N 1 1 283.412 2.679 20 30 CFEDMO C#CC[C@H](CCOC)[NH2+]C1CCN(CCC(C)C)CC1 ZINC000895668382 619581910 /nfs/dbraw/zinc/58/19/10/619581910.db2.gz JJJRMOSRNRSUEK-MRXNPFEDSA-N 1 1 280.456 2.515 20 30 CFEDMO C#Cc1ccc(C[N@H+](CCO)Cc2ccc(OC)cc2)cc1 ZINC000895710094 619590140 /nfs/dbraw/zinc/59/01/40/619590140.db2.gz GBRYFMVYWNZWDX-UHFFFAOYSA-N 1 1 295.382 2.671 20 30 CFEDMO N#Cc1cnc(Cl)c(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)c1 ZINC000895844726 619617901 /nfs/dbraw/zinc/61/79/01/619617901.db2.gz OMCRGCDLWOQABN-TZMCWYRMSA-N 1 1 291.782 2.608 20 30 CFEDMO C=CCC1(O)CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000895833613 619619647 /nfs/dbraw/zinc/61/96/47/619619647.db2.gz ANFMYGPWDCHEGS-UHFFFAOYSA-N 1 1 281.783 2.949 20 30 CFEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)c2c(C)cc(C#N)cc2C)C1 ZINC000895834556 619619687 /nfs/dbraw/zinc/61/96/87/619619687.db2.gz UAQUTBSTQAIDLC-OAHLLOKOSA-N 1 1 299.418 2.589 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895847466 619621777 /nfs/dbraw/zinc/62/17/77/619621777.db2.gz VCVIRBVNNQVFAP-KGLIPLIRSA-N 1 1 250.386 2.817 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895847382 619621951 /nfs/dbraw/zinc/62/19/51/619621951.db2.gz VCVIRBVNNQVFAP-KBPBESRZSA-N 1 1 250.386 2.817 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1 ZINC000895847278 619621982 /nfs/dbraw/zinc/62/19/82/619621982.db2.gz NKPGXTOQFGRLJG-IRXDYDNUSA-N 1 1 255.361 2.669 20 30 CFEDMO C#Cc1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000895855726 619623754 /nfs/dbraw/zinc/62/37/54/619623754.db2.gz QGMIHFNWKPDIHJ-CABCVRRESA-N 1 1 284.403 2.518 20 30 CFEDMO C=CCc1cc(C[N@@H+](C)CCCF)cc(OC)c1O ZINC000895897898 619629755 /nfs/dbraw/zinc/62/97/55/619629755.db2.gz HLLCOIBCQKPEBO-UHFFFAOYSA-N 1 1 267.344 2.921 20 30 CFEDMO C=CCC1(O)CC[NH+](Cc2cc(C)cnc2Cl)CC1 ZINC000896058312 619663328 /nfs/dbraw/zinc/66/33/28/619663328.db2.gz MUAPAEQVPZAVCE-UHFFFAOYSA-N 1 1 280.799 2.946 20 30 CFEDMO C=CCCC(C)(C)CNC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000896095639 619672977 /nfs/dbraw/zinc/67/29/77/619672977.db2.gz LSHVVMOEQYQRMV-PBHICJAKSA-N 1 1 293.455 2.572 20 30 CFEDMO CCCC[N@@H+](C)CCNC(=O)c1[nH]c2ccccc2c1C#N ZINC000896322881 619714791 /nfs/dbraw/zinc/71/47/91/619714791.db2.gz LIVPPJMKZPFOLT-UHFFFAOYSA-N 1 1 298.390 2.501 20 30 CFEDMO COCc1cc(C#N)ccc1NCCNc1ccc(C)c[nH+]1 ZINC000896453713 619737850 /nfs/dbraw/zinc/73/78/50/619737850.db2.gz PYBBNZOADVJDTA-UHFFFAOYSA-N 1 1 296.374 2.932 20 30 CFEDMO Cc1nsc(NCCNc2ccc(C)c[nH+]2)c1C#N ZINC000896455683 619741825 /nfs/dbraw/zinc/74/18/25/619741825.db2.gz HXNHYKXBMHWJGJ-UHFFFAOYSA-N 1 1 273.365 2.551 20 30 CFEDMO N#C[C@H]1CCC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000896502258 619751215 /nfs/dbraw/zinc/75/12/15/619751215.db2.gz WFBYMAOLNFHZFB-HZPDHXFCSA-N 1 1 269.392 2.748 20 30 CFEDMO CCOc1cccc(C[N@@H+]2CCC[C@@H](C#N)C2)c1O ZINC000896506568 619753144 /nfs/dbraw/zinc/75/31/44/619753144.db2.gz WCTITCMWXWUWCQ-LBPRGKRZSA-N 1 1 260.337 2.526 20 30 CFEDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C#N)C2)c1O ZINC000896506568 619753146 /nfs/dbraw/zinc/75/31/46/619753146.db2.gz WCTITCMWXWUWCQ-LBPRGKRZSA-N 1 1 260.337 2.526 20 30 CFEDMO Cc1cc(C#N)ccc1NC[C@@H]1CC[N@H+]1C1CCOCC1 ZINC000896525288 619756323 /nfs/dbraw/zinc/75/63/23/619756323.db2.gz JHVRJXLIDMILHH-INIZCTEOSA-N 1 1 285.391 2.532 20 30 CFEDMO C#Cc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000896694390 619792287 /nfs/dbraw/zinc/79/22/87/619792287.db2.gz YKBBDJRLRNZHLJ-KRWDZBQOSA-N 1 1 284.403 2.614 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1C[C@@H]2C[C@H]1CN2c1ccccc1 ZINC000896793565 619819831 /nfs/dbraw/zinc/81/98/31/619819831.db2.gz BMQPAKFCAOPYDS-XIRDDKMYSA-N 1 1 269.392 2.889 20 30 CFEDMO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000320334613 619833061 /nfs/dbraw/zinc/83/30/61/619833061.db2.gz ZYKGQBHGWOJIAZ-JQWIXIFHSA-N 1 1 253.317 2.509 20 30 CFEDMO COc1cccc(O)c1/C=N\CCCC[N@@H+](C)C1CC1 ZINC000840710068 619900164 /nfs/dbraw/zinc/90/01/64/619900164.db2.gz ORZXDXDKKWJRRG-ATVHPVEESA-N 1 1 276.380 2.694 20 30 CFEDMO CCOc1cccc(/C=N/C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1O ZINC000840710185 619900877 /nfs/dbraw/zinc/90/08/77/619900877.db2.gz PUEVFRYAUDJNRW-JTWSOSRCSA-N 1 1 288.391 2.835 20 30 CFEDMO C=C1CCC(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000897016576 619913434 /nfs/dbraw/zinc/91/34/34/619913434.db2.gz JAZHMOWXCQPPPY-JKSUJKDBSA-N 1 1 276.424 2.676 20 30 CFEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2cccs2)CC1 ZINC000985230222 619930945 /nfs/dbraw/zinc/93/09/45/619930945.db2.gz CFWHHXCHGYFPQT-UHFFFAOYSA-N 1 1 278.421 2.861 20 30 CFEDMO CC#CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000897166685 619942245 /nfs/dbraw/zinc/94/22/45/619942245.db2.gz CEAMUMBLTMHUBX-UHFFFAOYSA-N 1 1 252.701 2.703 20 30 CFEDMO CC#CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000897166685 619942246 /nfs/dbraw/zinc/94/22/46/619942246.db2.gz CEAMUMBLTMHUBX-UHFFFAOYSA-N 1 1 252.701 2.703 20 30 CFEDMO CC#CC[N@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC000897166607 619942615 /nfs/dbraw/zinc/94/26/15/619942615.db2.gz ABBHZGCOZXMZNK-UHFFFAOYSA-N 1 1 253.729 2.509 20 30 CFEDMO C#CC[N@@H+](Cc1cncc(Br)c1C)C(C)C ZINC000897171440 619943850 /nfs/dbraw/zinc/94/38/50/619943850.db2.gz ZIDIPLZOQSJIAD-UHFFFAOYSA-N 1 1 281.197 2.996 20 30 CFEDMO CC#CC[N@H+](C)Cc1cncc(Br)c1C ZINC000897170161 619944003 /nfs/dbraw/zinc/94/40/03/619944003.db2.gz YYKBKRAVNBBANR-UHFFFAOYSA-N 1 1 267.170 2.608 20 30 CFEDMO CC#CC[N@@H+](C)Cc1cncc(Br)c1C ZINC000897170161 619944004 /nfs/dbraw/zinc/94/40/04/619944004.db2.gz YYKBKRAVNBBANR-UHFFFAOYSA-N 1 1 267.170 2.608 20 30 CFEDMO CC(C)(C)CN(CCC#N)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897198952 619948036 /nfs/dbraw/zinc/94/80/36/619948036.db2.gz MTBPLSUOYNELBR-CYBMUJFWSA-N 1 1 279.428 2.648 20 30 CFEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)/C=C(\C)C2CC2)CC1 ZINC000985300893 619952608 /nfs/dbraw/zinc/95/26/08/619952608.db2.gz PHMZNJXQGMYGKF-SDNWHVSQSA-N 1 1 276.424 2.842 20 30 CFEDMO CC1(C)CC[N@@H+](CCNc2ncc(C#N)cc2Cl)C1 ZINC000897249124 619958694 /nfs/dbraw/zinc/95/86/94/619958694.db2.gz MRGTZVNBVPPKTF-UHFFFAOYSA-N 1 1 278.787 2.750 20 30 CFEDMO Cc1ccc2c(c1)C(=O)/C(=C/c1c[nH+]c(N(C)C)n1C)C2 ZINC000840718030 619961617 /nfs/dbraw/zinc/96/16/17/619961617.db2.gz WHLMIEXXQQVANR-UKTHLTGXSA-N 1 1 281.359 2.617 20 30 CFEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)C2CC=CC2)CC1 ZINC000985352251 619963332 /nfs/dbraw/zinc/96/33/32/619963332.db2.gz PYTZTGBWHPCVQW-UHFFFAOYSA-N 1 1 282.815 2.628 20 30 CFEDMO C=C(Cl)C[N@H+](C)C1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000985357462 619964253 /nfs/dbraw/zinc/96/42/53/619964253.db2.gz KHTRJWUEPCXTRK-FICVDOATSA-N 1 1 296.842 2.708 20 30 CFEDMO CN(C)c1[nH+]cc(/C=C2\CCc3ccc(F)cc3C2=O)n1C ZINC000840721029 619981766 /nfs/dbraw/zinc/98/17/66/619981766.db2.gz QZMBEXSQZZEVJO-XYOKQWHBSA-N 1 1 299.349 2.838 20 30 CFEDMO C=CC[N@H+](C)C1CCN(C(=O)c2cccnc2C2CC2)CC1 ZINC000985518443 619990912 /nfs/dbraw/zinc/99/09/12/619990912.db2.gz PBESHLNIGPKQDD-UHFFFAOYSA-N 1 1 299.418 2.681 20 30 CFEDMO C#CC[N@H+](C)C1CCN(C(=O)c2cc(C)sc2C)CC1 ZINC000985524036 619992553 /nfs/dbraw/zinc/99/25/53/619992553.db2.gz UCBCIKWHGRNLSL-UHFFFAOYSA-N 1 1 290.432 2.535 20 30 CFEDMO C=CC[N@H+](C)C1CCN(C(=O)c2cc[nH]c2C2CC2)CC1 ZINC000985605672 620011660 /nfs/dbraw/zinc/01/16/60/620011660.db2.gz YNJVXMGRWVIEAQ-UHFFFAOYSA-N 1 1 287.407 2.615 20 30 CFEDMO C=CC[N@H+](C)C1CCN(C(=O)c2ccoc2C2CC2)CC1 ZINC000985607062 620011824 /nfs/dbraw/zinc/01/18/24/620011824.db2.gz 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620026323 /nfs/dbraw/zinc/02/63/23/620026323.db2.gz DQYSEVVLPCQIFN-LSDHHAIUSA-N 1 1 298.858 2.954 20 30 CFEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2C[C@@]2(C)CC)CC1 ZINC000985730860 620027936 /nfs/dbraw/zinc/02/79/36/620027936.db2.gz YDBVIGPWMGDTJO-GDBMZVCRSA-N 1 1 264.413 2.531 20 30 CFEDMO C=CC[N@H+](C)C1CCN(C(=O)[C@H]2C[C@@H]2C2CCCC2)CC1 ZINC000985736487 620028454 /nfs/dbraw/zinc/02/84/54/620028454.db2.gz SDHJNBJIFPJQBE-SJORKVTESA-N 1 1 290.451 2.922 20 30 CFEDMO C=CCOc1ccc(CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000035054350 620103002 /nfs/dbraw/zinc/10/30/02/620103002.db2.gz XETNVLFJYPNOET-UHFFFAOYSA-N 1 1 286.419 2.968 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(Br)cn2)C1 ZINC000862444481 620114498 /nfs/dbraw/zinc/11/44/98/620114498.db2.gz AUKZQUULWIPOOG-NSHDSACASA-N 1 1 279.181 2.689 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Br)cn2)C1 ZINC000862444481 620114499 /nfs/dbraw/zinc/11/44/99/620114499.db2.gz AUKZQUULWIPOOG-NSHDSACASA-N 1 1 279.181 2.689 20 30 CFEDMO COc1cccc(OCCO[NH+]=C(N)C2CCCC2)c1 ZINC000179237110 620216591 /nfs/dbraw/zinc/21/65/91/620216591.db2.gz UNBNSSVNVUVLKG-UHFFFAOYSA-N 1 1 278.352 2.553 20 30 CFEDMO Cc1cccc(NC(=O)CO[NH+]=C(N)CC(C)C)c1C ZINC000067711963 620218354 /nfs/dbraw/zinc/21/83/54/620218354.db2.gz CIWSYESIWLGUID-UHFFFAOYSA-N 1 1 277.368 2.577 20 30 CFEDMO C#C[C@H](CCC)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000897552434 620244780 /nfs/dbraw/zinc/24/47/80/620244780.db2.gz BLOFFOXKNKTJKL-BRWVUGGUSA-N 1 1 284.403 2.598 20 30 CFEDMO Cc1noc(C[C@@H]2CCC[N@H+](C[C@@H](C)CCC#N)C2)n1 ZINC000897577808 620250841 /nfs/dbraw/zinc/25/08/41/620250841.db2.gz XLSLZWJYRPGQJF-JSGCOSHPSA-N 1 1 276.384 2.572 20 30 CFEDMO CC1(C[N@@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 ZINC000897596618 620254415 /nfs/dbraw/zinc/25/44/15/620254415.db2.gz RWXMEFDMBUTBQT-OAHLLOKOSA-N 1 1 256.349 2.732 20 30 CFEDMO CC1(C[N@H+]2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 ZINC000897596618 620254419 /nfs/dbraw/zinc/25/44/19/620254419.db2.gz RWXMEFDMBUTBQT-OAHLLOKOSA-N 1 1 256.349 2.732 20 30 CFEDMO N#Cc1ccc(C[NH+]2CC(Cc3ccoc3)C2)c(F)c1 ZINC000898160364 620340842 /nfs/dbraw/zinc/34/08/42/620340842.db2.gz BWRIBMOWZZXLEN-UHFFFAOYSA-N 1 1 270.307 2.965 20 30 CFEDMO C=CCCC[N@H+](CC)Cc1cnc(N2CCCC2)nc1 ZINC000898246000 620356535 /nfs/dbraw/zinc/35/65/35/620356535.db2.gz LNWGCRHQQCLJAS-UHFFFAOYSA-N 1 1 274.412 2.865 20 30 CFEDMO C=CC[N@@H+]1CCCN(C(=O)c2c(C)cc(C)cc2C)CC1 ZINC000989615211 620383689 /nfs/dbraw/zinc/38/36/89/620383689.db2.gz BAFSSITVZIMPSH-UHFFFAOYSA-N 1 1 286.419 2.946 20 30 CFEDMO C=CC[N@H+]1CCCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000989607191 620383756 /nfs/dbraw/zinc/38/37/56/620383756.db2.gz DHRKITCMLMLZDU-UHFFFAOYSA-N 1 1 284.812 2.735 20 30 CFEDMO C=CC[N@@H+]1CCCN(C(=O)c2ccc(Cl)s2)CC1 ZINC000989607191 620383758 /nfs/dbraw/zinc/38/37/58/620383758.db2.gz DHRKITCMLMLZDU-UHFFFAOYSA-N 1 1 284.812 2.735 20 30 CFEDMO C=CCC[N@H+]1CCCN(C(=O)C2CCC=CCC2)CC1 ZINC000989687888 620386120 /nfs/dbraw/zinc/38/61/20/620386120.db2.gz CNLDKHIEWPFBIJ-UHFFFAOYSA-N 1 1 276.424 2.843 20 30 CFEDMO C=CC[N@@H+]1CCCN(C(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC000989713383 620387362 /nfs/dbraw/zinc/38/73/62/620387362.db2.gz VROXKOGZEJDKJY-QGZVFWFLSA-N 1 1 276.424 2.843 20 30 CFEDMO C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000989763589 620389977 /nfs/dbraw/zinc/38/99/77/620389977.db2.gz QHERVNPNAQZKOR-HNNXBMFYSA-N 1 1 278.440 2.923 20 30 CFEDMO CCC(=O)N[C@]12CCC[C@H]1[N@@H+](CC#Cc1ccccc1)CC2 ZINC000989866550 620395527 /nfs/dbraw/zinc/39/55/27/620395527.db2.gz GRUQYFNJRMIZAQ-MJGOQNOKSA-N 1 1 296.414 2.561 20 30 CFEDMO CCC(=O)N[C@]12CCC[C@@H]1[N@@H+](CC#Cc1ccccc1)CC2 ZINC000989866548 620395699 /nfs/dbraw/zinc/39/56/99/620395699.db2.gz GRUQYFNJRMIZAQ-HKUYNNGSSA-N 1 1 296.414 2.561 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)CC3CC3)CCC[C@@H]12 ZINC000989902634 620399644 /nfs/dbraw/zinc/39/96/44/620399644.db2.gz BACCCKCEHMHMBG-NVXWUHKLSA-N 1 1 276.424 2.866 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C(C)(C)F)CCC[C@@H]12 ZINC000989900059 620400727 /nfs/dbraw/zinc/40/07/27/620400727.db2.gz PHHXRTLHENFTRK-CJNGLKHVSA-N 1 1 282.403 2.814 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)c3ccncc3)CCC[C@H]12 ZINC000989909974 620400767 /nfs/dbraw/zinc/40/07/67/620400767.db2.gz MFUVNHQLSWVEAO-FUHWJXTLSA-N 1 1 299.418 2.775 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3ccco3)CCC[C@@H]12 ZINC000989915109 620401240 /nfs/dbraw/zinc/40/12/40/620401240.db2.gz DFDJUMQYCBUGFK-GDBMZVCRSA-N 1 1 274.364 2.583 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3ccco3)CCC[C@H]12 ZINC000989913605 620401812 /nfs/dbraw/zinc/40/18/12/620401812.db2.gz UBKAFTIHVCVSJF-GOEBONIOSA-N 1 1 274.364 2.583 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)c3ccco3)CCC[C@@H]12 ZINC000989912966 620401861 /nfs/dbraw/zinc/40/18/61/620401861.db2.gz MMFMYXVRVSTBIP-NVXWUHKLSA-N 1 1 288.391 2.973 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)Cc3cccs3)CCC[C@H]12 ZINC000989916886 620401918 /nfs/dbraw/zinc/40/19/18/620401918.db2.gz YFIDPSMWDDPULU-HOCLYGCPSA-N 1 1 290.432 2.590 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cccc(F)c3)CCC[C@H]12 ZINC000989916196 620401920 /nfs/dbraw/zinc/40/19/20/620401920.db2.gz QOVZNELLNCDWHX-DOTOQJQBSA-N 1 1 288.366 2.739 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3ccccc3)CCC[C@@H]12 ZINC000989916361 620401976 /nfs/dbraw/zinc/40/19/76/620401976.db2.gz UAWANEGSOJPMJN-SJLPKXTDSA-N 1 1 284.403 2.990 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3ccsc3)CCC[C@@H]12 ZINC000989922701 620402128 /nfs/dbraw/zinc/40/21/28/620402128.db2.gz RNMVWDCUOQHZTI-HIFRSBDPSA-N 1 1 276.405 2.661 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CC3CCCC3)CCC[C@H]12 ZINC000989923598 620402271 /nfs/dbraw/zinc/40/22/71/620402271.db2.gz YQZIYGBVTVTBGE-DOTOQJQBSA-N 1 1 276.424 2.866 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@@]2(NC(=O)C(C)C)CCC[C@H]12 ZINC000989964379 620405872 /nfs/dbraw/zinc/40/58/72/620405872.db2.gz ZPXGSQKQEDNWGN-JSGCOSHPSA-N 1 1 270.804 2.508 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@@]2(NC(=O)C(C)C)CCC[C@H]12 ZINC000989964379 620405875 /nfs/dbraw/zinc/40/58/75/620405875.db2.gz ZPXGSQKQEDNWGN-JSGCOSHPSA-N 1 1 270.804 2.508 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cncc(C)c3)CCC[C@H]12 ZINC000990122779 620409584 /nfs/dbraw/zinc/40/95/84/620409584.db2.gz ZCDYQBYACITIEX-FUHWJXTLSA-N 1 1 299.418 2.693 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3ncccc3C)CCC[C@H]12 ZINC000990159198 620410418 /nfs/dbraw/zinc/41/04/18/620410418.db2.gz CSIXYVYUTADAAT-MAUKXSAKSA-N 1 1 299.418 2.693 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)c2cccc(F)c2C)C1 ZINC001014523345 620413188 /nfs/dbraw/zinc/41/31/88/620413188.db2.gz PCQGFADXLOIMHH-CQSZACIVSA-N 1 1 290.382 2.904 20 30 CFEDMO C#CC[N@H+]1CC[C@]2(NC(=O)C3=CCCCCC3)CCC[C@@H]12 ZINC000990414155 620419049 /nfs/dbraw/zinc/41/90/49/620419049.db2.gz DSDVKBBOZGSEFJ-SJLPKXTDSA-N 1 1 286.419 2.623 20 30 CFEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)C3=CCCCCC3)CCC[C@@H]12 ZINC000990414148 620419160 /nfs/dbraw/zinc/41/91/60/620419160.db2.gz DSDVKBBOZGSEFJ-AEFFLSMTSA-N 1 1 286.419 2.623 20 30 CFEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cn2c(n1)CCCC2 ZINC000924639200 620429064 /nfs/dbraw/zinc/42/90/64/620429064.db2.gz KFIAVQVGMHGHFS-CYBMUJFWSA-N 1 1 280.375 2.942 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(C)cs3)CCC[C@H]12 ZINC000990592898 620433407 /nfs/dbraw/zinc/43/34/07/620433407.db2.gz YVEITBDMLPDQBK-GOEBONIOSA-N 1 1 290.432 2.969 20 30 CFEDMO CCO[C@@H](C[NH2+][C@@H](CC)c1cccc(C#N)c1)CN(C)C ZINC000926964401 620433758 /nfs/dbraw/zinc/43/37/58/620433758.db2.gz ROAIZOXBJAUFIO-IRXDYDNUSA-N 1 1 289.423 2.566 20 30 CFEDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000926966543 620434197 /nfs/dbraw/zinc/43/41/97/620434197.db2.gz XJLRMVAZLHKHCN-ZDUSSCGKSA-N 1 1 268.364 2.934 20 30 CFEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)C(C)=C3CCC3)CCC[C@@H]12 ZINC000990611534 620434898 /nfs/dbraw/zinc/43/48/98/620434898.db2.gz FOWYHKWRCLJDPB-SJLPKXTDSA-N 1 1 286.419 2.623 20 30 CFEDMO C=C1CN(C(=O)c2ccc(C[N@H+](CC)CCC)cc2)C1 ZINC000898695271 620490474 /nfs/dbraw/zinc/49/04/74/620490474.db2.gz WWMGUNCBUYAHAB-UHFFFAOYSA-N 1 1 272.392 2.931 20 30 CFEDMO C=CCCC(C)(C)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000898989006 620513193 /nfs/dbraw/zinc/51/31/93/620513193.db2.gz QBLGWIJDAOQCNF-LBPRGKRZSA-N 1 1 252.402 2.720 20 30 CFEDMO Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000899197262 620531699 /nfs/dbraw/zinc/53/16/99/620531699.db2.gz DUAZJLUXKICCEV-CQSZACIVSA-N 1 1 289.354 2.817 20 30 CFEDMO Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000899197262 620531701 /nfs/dbraw/zinc/53/17/01/620531701.db2.gz DUAZJLUXKICCEV-CQSZACIVSA-N 1 1 289.354 2.817 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000899237556 620536465 /nfs/dbraw/zinc/53/64/65/620536465.db2.gz OTSIZLFBUIVVKJ-HNNXBMFYSA-N 1 1 299.418 2.778 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001014637912 620571136 /nfs/dbraw/zinc/57/11/36/620571136.db2.gz FJWZKAFFRNWSSA-GOSISDBHSA-N 1 1 296.414 2.782 20 30 CFEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CCC3)cc2)C1 ZINC001014637912 620571137 /nfs/dbraw/zinc/57/11/37/620571137.db2.gz FJWZKAFFRNWSSA-GOSISDBHSA-N 1 1 296.414 2.782 20 30 CFEDMO CC#CCCCC(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899508917 620576145 /nfs/dbraw/zinc/57/61/45/620576145.db2.gz SWLMKVGEADBNRD-UHFFFAOYSA-N 1 1 287.407 2.926 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000899812605 620601888 /nfs/dbraw/zinc/60/18/88/620601888.db2.gz BHGQLHRPNGHPGC-UHFFFAOYSA-N 1 1 299.418 2.731 20 30 CFEDMO CCn1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)nn1 ZINC000899868470 620607579 /nfs/dbraw/zinc/60/75/79/620607579.db2.gz BJRJVTIWJGYEQE-MRXNPFEDSA-N 1 1 283.379 2.823 20 30 CFEDMO CC[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1nccn1C ZINC000183210833 625441810 /nfs/dbraw/zinc/44/18/10/625441810.db2.gz GLYWPYFZWIOTCW-OAHLLOKOSA-N 1 1 284.363 2.563 20 30 CFEDMO C[C@@H]1Cc2cc(C[NH2+]C[C@H](C#N)CCC#N)ccc2O1 ZINC000901565691 620858925 /nfs/dbraw/zinc/85/89/25/620858925.db2.gz NNUPOPABXIEWJB-OCCSQVGLSA-N 1 1 269.348 2.543 20 30 CFEDMO CCn1cnc(C[NH2+][C@H](C)c2ccc(C#N)cc2)c1 ZINC000902054564 620965435 /nfs/dbraw/zinc/96/54/35/620965435.db2.gz ITYFECSHALJLQL-GFCCVEGCSA-N 1 1 254.337 2.625 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1CCN(C2CCCC2)C1=O ZINC000902321791 621026848 /nfs/dbraw/zinc/02/68/48/621026848.db2.gz XDVAMCHTQLIPOP-IYBDPMFKSA-N 1 1 289.423 2.807 20 30 CFEDMO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(C#N)c(F)c1 ZINC000902436693 621080063 /nfs/dbraw/zinc/08/00/63/621080063.db2.gz FRNXRSOSITXZTH-UZCIPKQKSA-N 1 1 295.361 2.973 20 30 CFEDMO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(C#N)cc1F ZINC000902439987 621080468 /nfs/dbraw/zinc/08/04/68/621080468.db2.gz WEKNPBFYPNJYOC-UZCIPKQKSA-N 1 1 295.361 2.973 20 30 CFEDMO CCNc1ccccc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000902517914 621115520 /nfs/dbraw/zinc/11/55/20/621115520.db2.gz ORPXPWBYCAHBGF-UHFFFAOYSA-N 1 1 266.348 2.675 20 30 CFEDMO N#Cc1ccc(C2CC[NH+](Cn3cc[nH]c3=S)CC2)cc1 ZINC000902588993 621132202 /nfs/dbraw/zinc/13/22/02/621132202.db2.gz BNTPLUUHBLFNLU-UHFFFAOYSA-N 1 1 298.415 2.881 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000801923050 621139935 /nfs/dbraw/zinc/13/99/35/621139935.db2.gz XMSQLRMGXDKICJ-UKRRQHHQSA-N 1 1 276.355 2.619 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+](C)[C@H]2CC[C@@H]2OC)c1O ZINC000902636515 621140395 /nfs/dbraw/zinc/14/03/95/621140395.db2.gz FKQHDEOLPJRGJZ-HOTGVXAUSA-N 1 1 291.391 2.739 20 30 CFEDMO C=CCCC[N@H+](CC)Cn1cc(-c2ccncn2)cn1 ZINC000902670184 621148583 /nfs/dbraw/zinc/14/85/83/621148583.db2.gz ZFFJBVMCDCTHBF-UHFFFAOYSA-N 1 1 271.368 2.586 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cc(C#N)ccn1 ZINC000902726699 621158806 /nfs/dbraw/zinc/15/88/06/621158806.db2.gz TZKGIMAZMISJIF-NWDGAFQWSA-N 1 1 252.321 2.760 20 30 CFEDMO C[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1cccnc1 ZINC000902726701 621159009 /nfs/dbraw/zinc/15/90/09/621159009.db2.gz TZKGIMAZMISJIF-VXGBXAGGSA-N 1 1 252.321 2.760 20 30 CFEDMO C[C@H](NCC[N@H+](C)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902759785 621166614 /nfs/dbraw/zinc/16/66/14/621166614.db2.gz FHBYQWGXYHXJJI-HNNXBMFYSA-N 1 1 294.402 2.736 20 30 CFEDMO Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902804085 621174741 /nfs/dbraw/zinc/17/47/41/621174741.db2.gz MUOVXGZPLYZCIR-UWVGGRQHSA-N 1 1 270.336 2.970 20 30 CFEDMO CC(C)C[C@@H](C[NH+](C)C)N[C@H](C)c1cc(C#N)ccn1 ZINC000902789679 621177369 /nfs/dbraw/zinc/17/73/69/621177369.db2.gz IVWAHVNSGWQBMQ-HIFRSBDPSA-N 1 1 274.412 2.580 20 30 CFEDMO C=CCC[C@H]([NH2+]Cc1ccn[nH]1)[C@@]1(C)CCCCO1 ZINC000902796919 621179240 /nfs/dbraw/zinc/17/92/40/621179240.db2.gz WIBLWGCBKRLMJJ-LSDHHAIUSA-N 1 1 263.385 2.793 20 30 CFEDMO CCC1(CC(N)=[NH+]OCc2ccc(C)c(C#N)c2)COC1 ZINC000902869767 621192961 /nfs/dbraw/zinc/19/29/61/621192961.db2.gz BBTKKFUHIMISNF-UHFFFAOYSA-N 1 1 287.363 2.682 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@@H](C)c2cn(CCC)nn2)cc1 ZINC000903011297 621228724 /nfs/dbraw/zinc/22/87/24/621228724.db2.gz WLZCJVXWUDSAEW-AWEZNQCLSA-N 1 1 298.390 2.551 20 30 CFEDMO C#Cc1cccc(C[NH2+][C@@H](C)c2cn(CCC)nn2)c1 ZINC000903013961 621229595 /nfs/dbraw/zinc/22/95/95/621229595.db2.gz KJGJJKJKYUFRAA-ZDUSSCGKSA-N 1 1 268.364 2.520 20 30 CFEDMO COc1ccc(F)c(C[NH2+][C@@H](C)c2cc(C#N)ccn2)c1 ZINC000903059319 621237325 /nfs/dbraw/zinc/23/73/25/621237325.db2.gz OZPYHOHMYOTULB-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO CC[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1cccc(C#N)c1 ZINC000903047091 621240624 /nfs/dbraw/zinc/24/06/24/621240624.db2.gz HBXWIUCNBHZMME-UGFHNGPFSA-N 1 1 281.363 2.896 20 30 CFEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc([S@](C)=O)cc1 ZINC000903100730 621253050 /nfs/dbraw/zinc/25/30/50/621253050.db2.gz WINUUDLHDGJVPK-ZMZPIMSZSA-N 1 1 264.394 2.624 20 30 CFEDMO CC[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(C(=O)OC)cc1 ZINC000903106051 621254831 /nfs/dbraw/zinc/25/48/31/621254831.db2.gz LSWBVTVWCYXFAK-CQSZACIVSA-N 1 1 272.348 2.818 20 30 CFEDMO N#CC1(C[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000903105582 621254943 /nfs/dbraw/zinc/25/49/43/621254943.db2.gz FEBOZMOALWCAGB-ZDUSSCGKSA-N 1 1 260.312 2.933 20 30 CFEDMO COC(=O)c1cncc([C@@H](C)[NH2+]CC2(C#N)CCCC2)c1 ZINC000903109246 621256769 /nfs/dbraw/zinc/25/67/69/621256769.db2.gz LNDMRDNISXGXKL-GFCCVEGCSA-N 1 1 287.363 2.603 20 30 CFEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ncc(Br)cn1 ZINC000903326306 621338703 /nfs/dbraw/zinc/33/87/03/621338703.db2.gz ZLWYKCNYZGEALW-VIFPVBQESA-N 1 1 297.200 2.657 20 30 CFEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@H](c2ncccn2)C2CC2)C1 ZINC000903327764 621339315 /nfs/dbraw/zinc/33/93/15/621339315.db2.gz YLUKBNTUEJXHHJ-XBFCOCLRSA-N 1 1 256.353 2.600 20 30 CFEDMO N#Cc1cc(Cl)cc(CN2CCC3(CC[NH2+]C3)CC2)c1 ZINC000903453108 621387667 /nfs/dbraw/zinc/38/76/67/621387667.db2.gz ZNJQPVUDHYLPRS-UHFFFAOYSA-N 1 1 289.810 2.787 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000903475804 621390484 /nfs/dbraw/zinc/39/04/84/621390484.db2.gz DOKOPXAOAUHKRY-AEFFLSMTSA-N 1 1 283.419 2.749 20 30 CFEDMO CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccc(C#N)cc1 ZINC000903636767 621412614 /nfs/dbraw/zinc/41/26/14/621412614.db2.gz AVCCUJKSHMEYNJ-INIZCTEOSA-N 1 1 285.391 2.784 20 30 CFEDMO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@H](C)c1cccc(C#N)c1 ZINC000903949401 621486479 /nfs/dbraw/zinc/48/64/79/621486479.db2.gz AMKSRCSISABNRZ-IOASZLSFSA-N 1 1 257.381 2.739 20 30 CFEDMO C[N@@H+](CC(=O)N(O)Cc1ccc(F)cc1)CC(C)(C)C ZINC000904178080 621543370 /nfs/dbraw/zinc/54/33/70/621543370.db2.gz YJAJUCWXFWZXBP-UHFFFAOYSA-N 1 1 282.359 2.521 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(CCC(F)(F)F)no1 ZINC000904545206 621606919 /nfs/dbraw/zinc/60/69/19/621606919.db2.gz FSXGMKFFNPTNLG-MRVPVSSYSA-N 1 1 263.263 2.921 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(C)nc2)no1 ZINC000904552389 621607870 /nfs/dbraw/zinc/60/78/70/621607870.db2.gz ARRVUSKZTDCUCP-GFCCVEGCSA-N 1 1 258.325 2.796 20 30 CFEDMO C#CCCC[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000832778432 625512757 /nfs/dbraw/zinc/51/27/57/625512757.db2.gz LVVMFDVGEYJYID-UHFFFAOYSA-N 1 1 276.346 2.748 20 30 CFEDMO Cc1csc(NC(=O)[C@H]2CCC[N@H+]2C(C)C)c1C#N ZINC000905521018 621789123 /nfs/dbraw/zinc/78/91/23/621789123.db2.gz OGKYBBFXHLVRPQ-GFCCVEGCSA-N 1 1 277.393 2.740 20 30 CFEDMO Cc1csc(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1C#N ZINC000905521018 621789124 /nfs/dbraw/zinc/78/91/24/621789124.db2.gz OGKYBBFXHLVRPQ-GFCCVEGCSA-N 1 1 277.393 2.740 20 30 CFEDMO C#CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C(C)C ZINC000905748566 621832100 /nfs/dbraw/zinc/83/21/00/621832100.db2.gz JNVHWVDIFKJUAK-UHFFFAOYSA-N 1 1 286.335 2.554 20 30 CFEDMO C#CC[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C(C)C ZINC000905748566 621832104 /nfs/dbraw/zinc/83/21/04/621832104.db2.gz JNVHWVDIFKJUAK-UHFFFAOYSA-N 1 1 286.335 2.554 20 30 CFEDMO C=CC[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)C(=O)OC ZINC000905778826 621845667 /nfs/dbraw/zinc/84/56/67/621845667.db2.gz TXVWJIKCVHIDPP-JXQTWKCFSA-N 1 1 283.412 2.820 20 30 CFEDMO C=CC[C@@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(=O)OC ZINC000905765229 621856019 /nfs/dbraw/zinc/85/60/19/621856019.db2.gz BJBKTTSXKAACSC-ZIAGYGMSSA-N 1 1 281.396 2.576 20 30 CFEDMO C=CC[C@@H]([NH2+]CC1CCC(F)(F)CC1)C(=O)OC ZINC000905766833 621856818 /nfs/dbraw/zinc/85/68/18/621856818.db2.gz HPAQNZPRSJDMAH-LLVKDONJSA-N 1 1 261.312 2.519 20 30 CFEDMO C=CC[C@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)C(=O)OC ZINC000905771581 621860523 /nfs/dbraw/zinc/86/05/23/621860523.db2.gz SZZDXBZXGWNVPO-GXSJLCMTSA-N 1 1 280.195 2.668 20 30 CFEDMO C=CC[C@@H]([NH2+]CC1(C2CCC2)CCC1)C(=O)OC ZINC000905771765 621860627 /nfs/dbraw/zinc/86/06/27/621860627.db2.gz LAWPDPYMQUWKAA-CYBMUJFWSA-N 1 1 251.370 2.664 20 30 CFEDMO CC(C)[C@H]1[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC12CCC2 ZINC000905954926 621911778 /nfs/dbraw/zinc/91/17/78/621911778.db2.gz DJHSAMSBQQCBBW-LSDHHAIUSA-N 1 1 276.424 2.942 20 30 CFEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(C#N)c(F)cc1F ZINC000906112384 621932169 /nfs/dbraw/zinc/93/21/69/621932169.db2.gz PHNMGZQNIDUEEA-CQSZACIVSA-N 1 1 293.317 2.648 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C#N)c(F)cc1F ZINC000906112384 621932170 /nfs/dbraw/zinc/93/21/70/621932170.db2.gz PHNMGZQNIDUEEA-CQSZACIVSA-N 1 1 293.317 2.648 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCn1cc(C#N)c2ccccc2c1=O ZINC000906507883 621994534 /nfs/dbraw/zinc/99/45/34/621994534.db2.gz LSDHRBMHQGYUGQ-OAHLLOKOSA-N 1 1 295.386 2.748 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)NCC(C)(C)CCC#N)C1 ZINC000908212037 622205286 /nfs/dbraw/zinc/20/52/86/622205286.db2.gz CGRVGCALYSNVSC-CQSZACIVSA-N 1 1 279.428 2.555 20 30 CFEDMO C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000908416861 622227984 /nfs/dbraw/zinc/22/79/84/622227984.db2.gz DIJCHMLDJFCSTE-KBPBESRZSA-N 1 1 285.347 2.562 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)c2ccccc2F)C1 ZINC001015869575 625549712 /nfs/dbraw/zinc/54/97/12/625549712.db2.gz XMWRCJGYPDIYRI-UONOGXRCSA-N 1 1 290.382 2.696 20 30 CFEDMO C[N@H+]1CCN(C(=O)c2cccc(C#N)c2)CC12CCCCC2 ZINC000908576351 622247948 /nfs/dbraw/zinc/24/79/48/622247948.db2.gz IPGGCKDFNHBXBY-UHFFFAOYSA-N 1 1 297.402 2.649 20 30 CFEDMO C=CCC(C)(C)C(=O)N1CCC[N@H+](CC)C[C@H]1C ZINC000910275022 622423219 /nfs/dbraw/zinc/42/32/19/622423219.db2.gz RXJQOEIGTPLIRO-CYBMUJFWSA-N 1 1 252.402 2.531 20 30 CFEDMO C#C[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC000911500972 622524308 /nfs/dbraw/zinc/52/43/08/622524308.db2.gz PQTOMLMKFAKBMH-IRXDYDNUSA-N 1 1 284.403 2.599 20 30 CFEDMO C#CCCCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819643391 622541048 /nfs/dbraw/zinc/54/10/48/622541048.db2.gz XHZNMOQRKJUPSD-ZWKOTPCHSA-N 1 1 296.414 2.523 20 30 CFEDMO C=C1CC(C)(C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000820099276 622610348 /nfs/dbraw/zinc/61/03/48/622610348.db2.gz AJDBCKBGQNRARD-FVQHAEBGSA-N 1 1 296.414 2.589 20 30 CFEDMO C=CCC[C@@H]1CCCN1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000912057082 622614175 /nfs/dbraw/zinc/61/41/75/622614175.db2.gz YQDHKLPMFBKXTA-GOEBONIOSA-N 1 1 291.439 2.611 20 30 CFEDMO C=CCC(C)(C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000820501534 622690052 /nfs/dbraw/zinc/69/00/52/622690052.db2.gz RPJHDMAHTCNCJU-CYBMUJFWSA-N 1 1 252.402 2.578 20 30 CFEDMO N#CC1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC000912528986 622740397 /nfs/dbraw/zinc/74/03/97/622740397.db2.gz VUXSXRLAZIBUIR-CABCVRRESA-N 1 1 289.423 2.594 20 30 CFEDMO C=CC(C)(C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000912974798 622809936 /nfs/dbraw/zinc/80/99/36/622809936.db2.gz XEVKPRWCRXMAQD-ZIAGYGMSSA-N 1 1 264.413 2.722 20 30 CFEDMO Cc1cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc(C)c1C#N ZINC000913007525 622818480 /nfs/dbraw/zinc/81/84/80/622818480.db2.gz VIRRMRTWEKQQOR-OAHLLOKOSA-N 1 1 299.418 2.637 20 30 CFEDMO CC(C)CC(N)=[NH+]OCC(=O)N(C(C)C)C1CCCC1 ZINC000151310727 622887185 /nfs/dbraw/zinc/88/71/85/622887185.db2.gz HMDJWTVXSHDGST-UHFFFAOYSA-N 1 1 283.416 2.501 20 30 CFEDMO C#CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC000821340460 622898417 /nfs/dbraw/zinc/89/84/17/622898417.db2.gz YOLQCQIEMBZVIQ-INIZCTEOSA-N 1 1 286.419 2.845 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2C[C@H](C)OC[C@H]2C)c1O ZINC000163954357 622932214 /nfs/dbraw/zinc/93/22/14/622932214.db2.gz NTEMIHIAWOEURC-OLZOCXBDSA-N 1 1 291.391 2.739 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+](C)[C@@H](C)CC#N)c1O ZINC000164291259 622948251 /nfs/dbraw/zinc/94/82/51/622948251.db2.gz PTZFTHPJMLNAET-LBPRGKRZSA-N 1 1 274.364 2.863 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+](C)[C@@H](C)CC#N)c1O ZINC000164291259 622948256 /nfs/dbraw/zinc/94/82/56/622948256.db2.gz PTZFTHPJMLNAET-LBPRGKRZSA-N 1 1 274.364 2.863 20 30 CFEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)C3(F)CCCC3)CCC[C@@H]12 ZINC000991505394 622951201 /nfs/dbraw/zinc/95/12/01/622951201.db2.gz SLGCBGUQXNMENS-PBHICJAKSA-N 1 1 294.414 2.958 20 30 CFEDMO NC(=[NH+]OCCCOCC(F)(F)F)C1CCCCC1 ZINC000156954729 622975898 /nfs/dbraw/zinc/97/58/98/622975898.db2.gz ANMCGOOBJICIRW-UHFFFAOYSA-N 1 1 282.306 2.825 20 30 CFEDMO C=C(C)C[NH+]1CCN(C(=O)OCc2ccccc2)CC1 ZINC000166013412 622999642 /nfs/dbraw/zinc/99/96/42/622999642.db2.gz LMASXAVETYMTQP-UHFFFAOYSA-N 1 1 274.364 2.517 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1cccc(OC)c1 ZINC000157539888 623039127 /nfs/dbraw/zinc/03/91/27/623039127.db2.gz MBMJLTFNAKMLFW-LJQANCHMSA-N 1 1 295.382 2.864 20 30 CFEDMO CCCCCCNC(=O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518129 623084839 /nfs/dbraw/zinc/08/48/39/623084839.db2.gz FVRMDOIMRMYJLX-UHFFFAOYSA-N 1 1 287.407 2.687 20 30 CFEDMO CCCCCCNC(=O)C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518129 623084846 /nfs/dbraw/zinc/08/48/46/623084846.db2.gz FVRMDOIMRMYJLX-UHFFFAOYSA-N 1 1 287.407 2.687 20 30 CFEDMO COCc1ccccc1-c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000822739482 623164503 /nfs/dbraw/zinc/16/45/03/623164503.db2.gz FBAITJJAVAEBDM-ZDUSSCGKSA-N 1 1 286.335 2.577 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cccc3cnccc32)no1 ZINC000822796943 623176570 /nfs/dbraw/zinc/17/65/70/623176570.db2.gz BRLTVRWAHYBHNL-CQSZACIVSA-N 1 1 293.330 2.978 20 30 CFEDMO CC(C)c1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)cn1 ZINC000823106102 623237093 /nfs/dbraw/zinc/23/70/93/623237093.db2.gz UPXRCZKGWRDCQH-LBPRGKRZSA-N 1 1 285.351 2.949 20 30 CFEDMO CCCCCCCCC[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230013122 623240500 /nfs/dbraw/zinc/24/05/00/623240500.db2.gz KOHSJPRXFXUUGD-HUUCEWRRSA-N 1 1 257.418 2.819 20 30 CFEDMO C#CC[N@H+](CC)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823418875 623313384 /nfs/dbraw/zinc/31/33/84/623313384.db2.gz KREXBTTUMIYVOV-GJZGRUSLSA-N 1 1 294.439 2.977 20 30 CFEDMO C#CC[N@H+](CC)Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000823419005 623313490 /nfs/dbraw/zinc/31/34/90/623313490.db2.gz NSPLRKJBGCMOQY-UHFFFAOYSA-N 1 1 296.370 2.827 20 30 CFEDMO CCCCCC[N@@H+](C)CC(=O)NCC(C)(C)CC#N ZINC000837889603 631148183 /nfs/dbraw/zinc/14/81/83/631148183.db2.gz VVSWSECJYFAAPQ-UHFFFAOYSA-N 1 1 267.417 2.555 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000823617818 623363446 /nfs/dbraw/zinc/36/34/46/623363446.db2.gz NJYLNLKEJQWCMO-WFASDCNBSA-N 1 1 284.359 2.647 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC2(CCCC2)C1 ZINC000174268918 623404028 /nfs/dbraw/zinc/40/40/28/623404028.db2.gz QOGNHCHYTKVAHC-UHFFFAOYSA-N 1 1 264.413 2.677 20 30 CFEDMO C#Cc1ccc(C(=O)N[C@@]23CCC[C@@H]2[N@@H+](CCC)CC3)cc1 ZINC000992097781 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FSFJZNSDTMXSJL-QWHCGFSZSA-N 1 1 268.401 2.892 20 30 CFEDMO CCOCC[N@@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000772374431 627705592 /nfs/dbraw/zinc/70/55/92/627705592.db2.gz JTAHDJHSYJRJTI-UHFFFAOYSA-N 1 1 282.771 2.711 20 30 CFEDMO CC(C)c1nccnc1N=NC1C[N@@H+](C(C)C)C[C@@H]1C ZINC000773092946 627782574 /nfs/dbraw/zinc/78/25/74/627782574.db2.gz HNMTWYCGPADHIL-LBPRGKRZSA-N 1 1 275.400 2.728 20 30 CFEDMO C#CCCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000773303977 627804328 /nfs/dbraw/zinc/80/43/28/627804328.db2.gz ORRMSEKLDDIDCW-INIZCTEOSA-N 1 1 278.440 2.951 20 30 CFEDMO C=C(CC)C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000773429112 627817733 /nfs/dbraw/zinc/81/77/33/627817733.db2.gz NQPDDKUNMCUCPU-SJORKVTESA-N 1 1 275.392 2.777 20 30 CFEDMO C=C(CC)C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000773429112 627817736 /nfs/dbraw/zinc/81/77/36/627817736.db2.gz NQPDDKUNMCUCPU-SJORKVTESA-N 1 1 275.392 2.777 20 30 CFEDMO C=C(CC)C[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000773428445 627818121 /nfs/dbraw/zinc/81/81/21/627818121.db2.gz PMMQICWDGZABAD-UHFFFAOYSA-N 1 1 268.401 2.895 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1csc(Cl)c1 ZINC001085854073 782187637 /nfs/dbraw/zinc/18/76/37/782187637.db2.gz OZNYZOIPSWDJDM-LBPRGKRZSA-N 1 1 296.823 2.571 20 30 CFEDMO C#CCC[N@@H+]1CCN(c2cccc3cnccc32)C[C@@H]1C ZINC000773952686 627872914 /nfs/dbraw/zinc/87/29/14/627872914.db2.gz BBFWMNPWSKZERS-HNNXBMFYSA-N 1 1 279.387 2.769 20 30 CFEDMO C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1C)c1cccc(C#N)c1 ZINC000774045958 627880834 /nfs/dbraw/zinc/88/08/34/627880834.db2.gz VQGYRKAOJPOYOA-WFASDCNBSA-N 1 1 272.348 2.647 20 30 CFEDMO C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1C)c1cccc(C#N)c1 ZINC000774045958 627880837 /nfs/dbraw/zinc/88/08/37/627880837.db2.gz VQGYRKAOJPOYOA-WFASDCNBSA-N 1 1 272.348 2.647 20 30 CFEDMO C#CCOCC[N@H+]1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000851978782 634615277 /nfs/dbraw/zinc/61/52/77/634615277.db2.gz PPJPVUSWACAXEL-LLVKDONJSA-N 1 1 263.303 2.547 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000851987726 634617468 /nfs/dbraw/zinc/61/74/68/634617468.db2.gz XHAIMHYTWOLBPC-CQSZACIVSA-N 1 1 278.440 2.615 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000775179323 627998050 /nfs/dbraw/zinc/99/80/50/627998050.db2.gz NJDSOOZQWCCQFO-LBPRGKRZSA-N 1 1 273.767 2.979 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000775179323 627998051 /nfs/dbraw/zinc/99/80/51/627998051.db2.gz NJDSOOZQWCCQFO-LBPRGKRZSA-N 1 1 273.767 2.979 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)[C@H]1CCCO1 ZINC000775571736 628039514 /nfs/dbraw/zinc/03/95/14/628039514.db2.gz KTBKVGCHWILMSZ-BIGNPOOSSA-N 1 1 281.302 2.502 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)[C@@H]1CCCO1 ZINC000775573321 628041652 /nfs/dbraw/zinc/04/16/52/628041652.db2.gz GYOUFPVNCADREG-RLCCDNCMSA-N 1 1 272.323 2.529 20 30 CFEDMO C=C(C)CC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000775608619 628045525 /nfs/dbraw/zinc/04/55/25/628045525.db2.gz CHFBKLMYHVRBIF-ZDUSSCGKSA-N 1 1 268.401 2.894 20 30 CFEDMO C#CCOc1ccccc1CN(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000775681827 628054888 /nfs/dbraw/zinc/05/48/88/628054888.db2.gz UHQOMCGQSHQKNL-KRWDZBQOSA-N 1 1 286.419 2.613 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc(-c2ccc(C)cc2)no1)[C@@H]1CCCO1 ZINC000775801768 628070548 /nfs/dbraw/zinc/07/05/48/628070548.db2.gz VZVKHIZOHHPLDU-WMZOPIPTSA-N 1 1 296.370 2.920 20 30 CFEDMO C#CCCC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000775892720 628080831 /nfs/dbraw/zinc/08/08/31/628080831.db2.gz VHTXYRMSJOSWKU-QGZVFWFLSA-N 1 1 255.361 2.921 20 30 CFEDMO Cc1cccc(C2(O)CC[NH+](CC3(C#N)CC3)CC2)c1C ZINC000775975409 628089642 /nfs/dbraw/zinc/08/96/42/628089642.db2.gz GSBNCELAXWLDIF-UHFFFAOYSA-N 1 1 284.403 2.891 20 30 CFEDMO C#CCCOc1ccc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000775985116 628091703 /nfs/dbraw/zinc/09/17/03/628091703.db2.gz JUFVOULOTUSWKF-HZPDHXFCSA-N 1 1 286.419 2.613 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)cc1 ZINC000775985116 628091708 /nfs/dbraw/zinc/09/17/08/628091708.db2.gz JUFVOULOTUSWKF-HZPDHXFCSA-N 1 1 286.419 2.613 20 30 CFEDMO C#CCCOc1ccc(C[N@H+]2CCN(C)[C@H](C)[C@H]2C)cc1 ZINC000775985116 628091711 /nfs/dbraw/zinc/09/17/11/628091711.db2.gz JUFVOULOTUSWKF-HZPDHXFCSA-N 1 1 286.419 2.613 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc2ccccc2nc1OC)[C@@H]1CCCO1 ZINC000775999229 628093285 /nfs/dbraw/zinc/09/32/85/628093285.db2.gz HNVOAZXJVGJMBD-WBVHZDCISA-N 1 1 296.370 2.514 20 30 CFEDMO CC[N@@H+](CCN[C@@H](C)c1ccc(OCC#N)cc1)C(C)C ZINC000776158416 628108211 /nfs/dbraw/zinc/10/82/11/628108211.db2.gz XKKQETZSCDIDQX-HNNXBMFYSA-N 1 1 289.423 2.970 20 30 CFEDMO CCN(CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1)C(C)C ZINC000776158416 628108214 /nfs/dbraw/zinc/10/82/14/628108214.db2.gz XKKQETZSCDIDQX-HNNXBMFYSA-N 1 1 289.423 2.970 20 30 CFEDMO C#CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776610715 628165312 /nfs/dbraw/zinc/16/53/12/628165312.db2.gz VWYMEDLBSVTLTP-ZIAGYGMSSA-N 1 1 280.412 2.730 20 30 CFEDMO C#CC[N@H+](Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000852045324 634635061 /nfs/dbraw/zinc/63/50/61/634635061.db2.gz KIWQMMHNNQYBCW-OKZBNKHCSA-N 1 1 296.414 2.569 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000852045324 634635064 /nfs/dbraw/zinc/63/50/64/634635064.db2.gz KIWQMMHNNQYBCW-OKZBNKHCSA-N 1 1 296.414 2.569 20 30 CFEDMO CC(C)[N@@H+]1CC(=NOCCC(F)(F)F)[C@@H](C)C1 ZINC000777462734 628228285 /nfs/dbraw/zinc/22/82/85/628228285.db2.gz JXLGHLKVWDUAPF-VIFPVBQESA-N 1 1 252.280 2.672 20 30 CFEDMO C[C@@H]1CC(=NOCCC(F)(F)F)C[N@H+]1C1CC1 ZINC000777462696 628228300 /nfs/dbraw/zinc/22/83/00/628228300.db2.gz HVUCEVQREYZXTH-MRVPVSSYSA-N 1 1 250.264 2.568 20 30 CFEDMO C[C@H]1CC(N=Nc2cc(Cl)ccn2)C[N@H+]1C1CC1 ZINC000777906235 628263844 /nfs/dbraw/zinc/26/38/44/628263844.db2.gz GXTCUXMJORVGBB-VIFPVBQESA-N 1 1 264.760 2.760 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+]2CC=CCC2)c1O ZINC000778576971 628317658 /nfs/dbraw/zinc/31/76/58/628317658.db2.gz OWSXSANDDXKIED-UHFFFAOYSA-N 1 1 259.349 2.891 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](CC=C)c1ccccc1 ZINC000778633606 628321421 /nfs/dbraw/zinc/32/14/21/628321421.db2.gz GYKWYOWKTLEKNT-ROUUACIJSA-N 1 1 297.398 2.987 20 30 CFEDMO C[N@H+]1CCC[C@]2(CCN([C@@H](C#N)c3ccccc3)C2)C1 ZINC000852092304 634648866 /nfs/dbraw/zinc/64/88/66/634648866.db2.gz SSZLOHVFQJFWDM-IRXDYDNUSA-N 1 1 269.392 2.669 20 30 CFEDMO CC(C)(C(=O)OCc1cc(C#N)ccc1F)[NH+]1CCCC1 ZINC000805614173 628328410 /nfs/dbraw/zinc/32/84/10/628328410.db2.gz CCEPWBYKNXPEKO-UHFFFAOYSA-N 1 1 290.338 2.615 20 30 CFEDMO Cc1[nH+]ccn1CCCCOC(=O)c1cccc(CC#N)c1 ZINC000778779821 628330874 /nfs/dbraw/zinc/33/08/74/628330874.db2.gz BFIBNUZLHKLFNG-UHFFFAOYSA-N 1 1 297.358 2.895 20 30 CFEDMO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000779119392 628353800 /nfs/dbraw/zinc/35/38/00/628353800.db2.gz ARVQLLLKEKRPGT-VIFPVBQESA-N 1 1 258.300 2.580 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000779146036 628355411 /nfs/dbraw/zinc/35/54/11/628355411.db2.gz YVGRZVJZSWYRTK-UHFFFAOYSA-N 1 1 278.371 2.670 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](F)C2)cc1 ZINC000779151117 628355928 /nfs/dbraw/zinc/35/59/28/628355928.db2.gz VKUFETKNJIUBJU-BBRMVZONSA-N 1 1 261.340 2.879 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCCOC[C@@H]1C ZINC000779158344 628356622 /nfs/dbraw/zinc/35/66/22/628356622.db2.gz OHBVJMFFYPPQBO-ZDUSSCGKSA-N 1 1 293.794 2.963 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCCOC[C@@H]1C ZINC000779158344 628356624 /nfs/dbraw/zinc/35/66/24/628356624.db2.gz OHBVJMFFYPPQBO-ZDUSSCGKSA-N 1 1 293.794 2.963 20 30 CFEDMO C#C[C@](C)(CC)[NH2+]Cc1ccn(-c2cccc(F)c2)n1 ZINC000852099100 634652812 /nfs/dbraw/zinc/65/28/12/634652812.db2.gz DQPUGZFRCKTMGE-MRXNPFEDSA-N 1 1 271.339 2.903 20 30 CFEDMO CC[C@@H]1C[C@H](C=[NH+]n2cc(Br)cn2)CCO1 ZINC000779784956 628403832 /nfs/dbraw/zinc/40/38/32/628403832.db2.gz TZDHNNPERXBNJM-MWLCHTKSSA-N 1 1 286.173 2.685 20 30 CFEDMO C=CCOc1ccccc1C=NNc1cc[nH+]cc1 ZINC000779806756 628408285 /nfs/dbraw/zinc/40/82/85/628408285.db2.gz FVBRBMBWVACWMV-UHFFFAOYSA-N 1 1 253.305 2.514 20 30 CFEDMO C(=[NH+][N-]c1cc[nH+]cc1)c1ccc(N2CCCCC2)o1 ZINC000779809122 628408874 /nfs/dbraw/zinc/40/88/74/628408874.db2.gz LMWPKPKTLHEMQC-UHFFFAOYSA-N 1 1 270.336 2.533 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1nc2ccc(Cl)cc2n1C ZINC000779810668 628409045 /nfs/dbraw/zinc/40/90/45/628409045.db2.gz GJQJHNFQEHRZLM-UHFFFAOYSA-N 1 1 299.765 2.880 20 30 CFEDMO C[C@@H]1CC(N=Nc2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000779811227 628409702 /nfs/dbraw/zinc/40/97/02/628409702.db2.gz NDSYZLUEENNANY-CQSZACIVSA-N 1 1 280.375 2.566 20 30 CFEDMO C#CCCCCCC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000779859478 628414969 /nfs/dbraw/zinc/41/49/69/628414969.db2.gz MCCLZSPEDYKJES-UHFFFAOYSA-N 1 1 286.419 2.818 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@@H](C)C(C)C)c1 ZINC000780287599 628451248 /nfs/dbraw/zinc/45/12/48/628451248.db2.gz MZAKWFLGOKXTGT-ZDUSSCGKSA-N 1 1 258.365 2.583 20 30 CFEDMO C#C[C@](C)(CC)[NH2+]Cc1csc([C@H](C)OC)n1 ZINC000852102831 634657501 /nfs/dbraw/zinc/65/75/01/634657501.db2.gz QUTYOHZDMOLAHN-GXFFZTMASA-N 1 1 252.383 2.742 20 30 CFEDMO C#CCCCCCC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000780440344 628464385 /nfs/dbraw/zinc/46/43/85/628464385.db2.gz LGDMIGBUGQIAIL-UHFFFAOYSA-N 1 1 278.440 2.903 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)nc1 ZINC000780557110 628476477 /nfs/dbraw/zinc/47/64/77/628476477.db2.gz UKPMUZXVOFHXRC-UHFFFAOYSA-N 1 1 259.259 2.521 20 30 CFEDMO C#CCCCCCC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000780594597 628481318 /nfs/dbraw/zinc/48/13/18/628481318.db2.gz TZDPXBKZZBFUJQ-INIZCTEOSA-N 1 1 278.440 2.760 20 30 CFEDMO Fc1cc(N=NC2CC[N@@H+](Cc3ccccc3)C2)ccn1 ZINC000781130513 628524517 /nfs/dbraw/zinc/52/45/17/628524517.db2.gz WOYPQNNYWQBFGT-UHFFFAOYSA-N 1 1 284.338 2.895 20 30 CFEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000781353442 628542499 /nfs/dbraw/zinc/54/24/99/628542499.db2.gz JQOAFUYHMJFGCK-AWEZNQCLSA-N 1 1 296.317 2.793 20 30 CFEDMO C#CCCN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000782997955 628668014 /nfs/dbraw/zinc/66/80/14/628668014.db2.gz SJVJJIGWFMQNPN-QGZVFWFLSA-N 1 1 256.393 2.827 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)CC1(CO)CC1 ZINC000783734639 628739227 /nfs/dbraw/zinc/73/92/27/628739227.db2.gz VBISZAIHBQILIS-UHFFFAOYSA-N 1 1 293.794 2.556 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)CC1(CO)CC1 ZINC000783734639 628739228 /nfs/dbraw/zinc/73/92/28/628739228.db2.gz VBISZAIHBQILIS-UHFFFAOYSA-N 1 1 293.794 2.556 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000852193024 634685228 /nfs/dbraw/zinc/68/52/28/634685228.db2.gz WPZSROOFAMRFFS-DOMZBBRYSA-N 1 1 274.364 2.703 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C(C)C)no1 ZINC001085854428 782187783 /nfs/dbraw/zinc/18/77/83/782187783.db2.gz YIECKSBYNHHZLK-CYBMUJFWSA-N 1 1 291.395 2.520 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)CCCC[C@@H](C)CC)CC1 ZINC000785366908 628878618 /nfs/dbraw/zinc/87/86/18/628878618.db2.gz LMMXEXAQYGNMHO-INIZCTEOSA-N 1 1 278.440 2.760 20 30 CFEDMO C#CCOCC[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000785477551 628886825 /nfs/dbraw/zinc/88/68/25/628886825.db2.gz FMUKJIVVWVUUME-UHFFFAOYSA-N 1 1 255.720 2.561 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1cc(OC)ccc1OC ZINC000785997212 628929070 /nfs/dbraw/zinc/92/90/70/628929070.db2.gz KBVZPIYIZBGXNH-CZUORRHYSA-N 1 1 291.391 2.778 20 30 CFEDMO C#CCCC[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000805820042 628981586 /nfs/dbraw/zinc/98/15/86/628981586.db2.gz CLJMYVSBILPWIJ-HOTGVXAUSA-N 1 1 259.393 2.886 20 30 CFEDMO C=C(Cl)COC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786885792 628983338 /nfs/dbraw/zinc/98/33/38/628983338.db2.gz UZZBZOHIEINLBZ-LBPRGKRZSA-N 1 1 257.761 2.689 20 30 CFEDMO C=C(Cl)COC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786885792 628983340 /nfs/dbraw/zinc/98/33/40/628983340.db2.gz UZZBZOHIEINLBZ-LBPRGKRZSA-N 1 1 257.761 2.689 20 30 CFEDMO C#C[C@H]([NH2+][C@H](COC)c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000786914193 628984420 /nfs/dbraw/zinc/98/44/20/628984420.db2.gz AGMPGPAZNUPJTL-XHSDSOJGSA-N 1 1 293.794 2.798 20 30 CFEDMO 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CSCCON=C1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000794574754 629663021 /nfs/dbraw/zinc/66/30/21/629663021.db2.gz OESNUUORHDKELT-ZDUSSCGKSA-N 1 1 293.436 2.659 20 30 CFEDMO C=CCNN=Cc1cc(C)n(C[C@H]2CCC[N@@H+]2CC)c1C ZINC000794993589 629719182 /nfs/dbraw/zinc/71/91/82/629719182.db2.gz ZCKUAAGLBSUADS-QGZVFWFLSA-N 1 1 288.439 2.699 20 30 CFEDMO COCCCON=C1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000795042030 629727876 /nfs/dbraw/zinc/72/78/76/629727876.db2.gz MBLALKOGAYUCLL-HNNXBMFYSA-N 1 1 290.407 2.938 20 30 CFEDMO COCCCON=C1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000795042031 629728186 /nfs/dbraw/zinc/72/81/86/629728186.db2.gz MBLALKOGAYUCLL-OAHLLOKOSA-N 1 1 290.407 2.938 20 30 CFEDMO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1nc(CC)no1 ZINC000795329464 629761871 /nfs/dbraw/zinc/76/18/71/629761871.db2.gz PVDYGWQSWMUKIG-ZFWWWQNUSA-N 1 1 283.375 2.917 20 30 CFEDMO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1nnc(CC)o1 ZINC000795336196 629762719 /nfs/dbraw/zinc/76/27/19/629762719.db2.gz YEWVGEYAKCTCLP-ZFWWWQNUSA-N 1 1 283.375 2.917 20 30 CFEDMO C=C(C)CC[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852529611 634771945 /nfs/dbraw/zinc/77/19/45/634771945.db2.gz YKXFSAWEVCBIAR-UHFFFAOYSA-N 1 1 280.412 2.942 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1 ZINC000796357514 629908299 /nfs/dbraw/zinc/90/82/99/629908299.db2.gz OIJHLZJDHYKOJK-GOSISDBHSA-N 1 1 265.356 2.855 20 30 CFEDMO C=CC[N@@H+](CC(=O)Nc1ccc(Cl)nc1)C(C)(C)C ZINC000852554801 634777663 /nfs/dbraw/zinc/77/76/63/634777663.db2.gz WROUTTSZTHQYNZ-UHFFFAOYSA-N 1 1 281.787 2.960 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1COC(=O)N1CCC[C@H](C)C1 ZINC000796572795 629936196 /nfs/dbraw/zinc/93/61/96/629936196.db2.gz SVJNTOKCUMAYJY-HOTGVXAUSA-N 1 1 292.423 2.733 20 30 CFEDMO C=C(CC)C[N@H+]1CCCC[C@H]1COC(=O)NC(C)C ZINC000796705747 629953115 /nfs/dbraw/zinc/95/31/15/629953115.db2.gz HMRXUCAXBITFRM-AWEZNQCLSA-N 1 1 268.401 2.942 20 30 CFEDMO CC[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccc(F)cc1O ZINC000796753081 629960169 /nfs/dbraw/zinc/96/01/69/629960169.db2.gz 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CHGTYBLTQWHPRI-RTBURBONSA-N 1 1 298.430 2.889 20 30 CFEDMO C#Cc1ccc(C[NH2+]Cc2nccn2C(F)F)cc1 ZINC000809610562 631245742 /nfs/dbraw/zinc/24/57/42/631245742.db2.gz WXAGKNXYUGXODZ-UHFFFAOYSA-N 1 1 261.275 2.549 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000809637659 631253012 /nfs/dbraw/zinc/25/30/12/631253012.db2.gz YNRQSCWWYBYBIW-CQSZACIVSA-N 1 1 265.303 2.872 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc1 ZINC000809650626 631256123 /nfs/dbraw/zinc/25/61/23/631256123.db2.gz GWEIGFGYTMPUOK-GRDNDAEWSA-N 1 1 257.377 2.649 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@]2(CO)CCC)cc1 ZINC000809655081 631256841 /nfs/dbraw/zinc/25/68/41/631256841.db2.gz ZXIXHFQMPWLDBJ-QGZVFWFLSA-N 1 1 257.377 2.795 20 30 CFEDMO N#CC1(C[NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000809659532 631258086 /nfs/dbraw/zinc/25/80/86/631258086.db2.gz QMBFPIRIFHESMN-CQSZACIVSA-N 1 1 258.390 2.910 20 30 CFEDMO C#C[C@H](C)N[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000809683523 631261451 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ZINC000810151649 631335391 /nfs/dbraw/zinc/33/53/91/631335391.db2.gz MDXDOBMQPZQJRN-JTQLQIEISA-N 1 1 290.417 2.947 20 30 CFEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1O ZINC000810237647 631347659 /nfs/dbraw/zinc/34/76/59/631347659.db2.gz DKNNLJGMPRPWAA-LLVKDONJSA-N 1 1 283.331 2.518 20 30 CFEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1F)CC2 ZINC000810238636 631348460 /nfs/dbraw/zinc/34/84/60/631348460.db2.gz RMCDHWJNPQIDBK-OAHLLOKOSA-N 1 1 267.307 2.869 20 30 CFEDMO CC(C)(C)[C@@H](C#N)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810666787 631422982 /nfs/dbraw/zinc/42/29/82/631422982.db2.gz UZAUDBXMEYKWTN-IAQYHMDHSA-N 1 1 284.375 2.680 20 30 CFEDMO CC([NH2+]Nc1cccc(S(C)(=O)=O)c1)=C1CC1(F)F ZINC000841630398 631436959 /nfs/dbraw/zinc/43/69/59/631436959.db2.gz DSYXPKWBLORWNP-NSHDSACASA-N 1 1 288.319 2.533 20 30 CFEDMO C[C@H](O)CN(C)N=C1CCCC[C@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000841652038 631443870 /nfs/dbraw/zinc/44/38/70/631443870.db2.gz MHHXWOMGDWXOII-QSJFSLAZSA-N 1 1 295.471 2.576 20 30 CFEDMO CC(C)C(CCc1ccc(Cl)cc1)N=NC1=[NH+]CCN1 ZINC000841658461 631445265 /nfs/dbraw/zinc/44/52/65/631445265.db2.gz BRRXYSPSSJNJOB-UHFFFAOYSA-N 1 1 292.814 2.833 20 30 CFEDMO N#CCCCCCC(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810838787 631453480 /nfs/dbraw/zinc/45/34/80/631453480.db2.gz RYZWCADKILKOST-UONOGXRCSA-N 1 1 264.369 2.630 20 30 CFEDMO N#CCCCCCC(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810838788 631454252 /nfs/dbraw/zinc/45/42/52/631454252.db2.gz RYZWCADKILKOST-ZIAGYGMSSA-N 1 1 264.369 2.630 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OC2(CC#N)CCC2)C1 ZINC000810856761 631461664 /nfs/dbraw/zinc/46/16/64/631461664.db2.gz ZPQYZLAWEAKKQR-OAHLLOKOSA-N 1 1 282.359 2.578 20 30 CFEDMO CCCCCCCC[N@H+]1C[C@@H](C)N(CCO)C[C@H]1C ZINC000842164622 631558077 /nfs/dbraw/zinc/55/80/77/631558077.db2.gz YBTSXQXMXSJMCC-HZPDHXFCSA-N 1 1 270.461 2.734 20 30 CFEDMO Cc1cc(C)cc(N[NH+]=Cc2cnc(N(C)C)n2C)c1 ZINC000811634268 631590047 /nfs/dbraw/zinc/59/00/47/631590047.db2.gz IZBDEPCEHPLBQC-UHFFFAOYSA-N 1 1 271.368 2.549 20 30 CFEDMO N#Cc1ccc(C=NNc2cc[nH+]cc2)c(C(F)(F)F)c1 ZINC000811647575 631591241 /nfs/dbraw/zinc/59/12/41/631591241.db2.gz RNSIGRBPTBLOBW-UHFFFAOYSA-N 1 1 290.248 2.840 20 30 CFEDMO C[C@@H]1C(=NOC[C@H]2CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000811648903 631592163 /nfs/dbraw/zinc/59/21/63/631592163.db2.gz UHKPBIPZIYNNNK-ZBFHGGJFSA-N 1 1 288.391 2.690 20 30 CFEDMO CC[N@H+]1CCC(=NN[C@@H](C)COc2ccccc2)[C@H](C)C1 ZINC000811666543 631602198 /nfs/dbraw/zinc/60/21/98/631602198.db2.gz GRPPWSQKYPKSNV-CABCVRRESA-N 1 1 289.423 2.761 20 30 CFEDMO CC(=[NH+]N[C@@H](C)COc1ccccc1)c1csc(N)n1 ZINC000811667393 631602233 /nfs/dbraw/zinc/60/22/33/631602233.db2.gz UOIALQSCFUGTER-JTQLQIEISA-N 1 1 290.392 2.506 20 30 CFEDMO C#C[C@H](OC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000842364807 631607604 /nfs/dbraw/zinc/60/76/04/631607604.db2.gz HOQDTDVGXHKGMF-HOTGVXAUSA-N 1 1 271.360 2.779 20 30 CFEDMO C#C[C@H](OC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000842364807 631607607 /nfs/dbraw/zinc/60/76/07/631607607.db2.gz HOQDTDVGXHKGMF-HOTGVXAUSA-N 1 1 271.360 2.779 20 30 CFEDMO C=CCC[N@H+](C)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811765874 631619338 /nfs/dbraw/zinc/61/93/38/631619338.db2.gz KMQZXNYKCTVQPX-INIZCTEOSA-N 1 1 272.392 2.543 20 30 CFEDMO c1ccc(C[N@H+]2CCC(=NN3CCOCC3)CC23CC3)cc1 ZINC000842518877 631651180 /nfs/dbraw/zinc/65/11/80/631651180.db2.gz ALOQKHCZZVNARL-UHFFFAOYSA-N 1 1 299.418 2.503 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](CN2C(=O)C[C@H]2c2ccccc2)C1 ZINC000842628766 631685667 /nfs/dbraw/zinc/68/56/67/631685667.db2.gz FRFVLYHMANTQCZ-RDJZCZTQSA-N 1 1 282.387 2.653 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](CN2C[C@H](C3CCCC3)CC2=O)C1 ZINC000842629135 631686027 /nfs/dbraw/zinc/68/60/27/631686027.db2.gz JVTSHUUQDPZBDI-DOTOQJQBSA-N 1 1 288.435 2.718 20 30 CFEDMO Cc1nc(NCC[N@@H+]2CCC[C@H]2C)c(Cl)cc1C#N ZINC000812460606 631721982 /nfs/dbraw/zinc/72/19/82/631721982.db2.gz WFNSSYQLEXHJJR-SNVBAGLBSA-N 1 1 278.787 2.811 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1ccc(C#N)s1 ZINC000840256995 631727947 /nfs/dbraw/zinc/72/79/47/631727947.db2.gz XNVLQNIDNGRYDV-NSHDSACASA-N 1 1 278.377 2.651 20 30 CFEDMO CCCCCCCC(=O)N1[C@H](C)C[N@H+](C)C[C@@H]1C ZINC000155566052 650026083 /nfs/dbraw/zinc/02/60/83/650026083.db2.gz ALZBNASKACFGMR-OKILXGFUSA-N 1 1 254.418 2.898 20 30 CFEDMO C=C[C@](C)(CCOC)C(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000842828689 631753985 /nfs/dbraw/zinc/75/39/85/631753985.db2.gz BNIGFNJYODNOTI-DOTOQJQBSA-N 1 1 297.439 2.879 20 30 CFEDMO CC[N@@H+](Cc1ccc(N(C)CCC#N)cc1)[C@H]1CCOC1 ZINC000812780611 631773557 /nfs/dbraw/zinc/77/35/57/631773557.db2.gz KJLCQJSICRKOBT-KRWDZBQOSA-N 1 1 287.407 2.647 20 30 CFEDMO C#C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000812792727 631779948 /nfs/dbraw/zinc/77/99/48/631779948.db2.gz GAYPJVGTNBRSAZ-IKGGRYGDSA-N 1 1 272.367 2.716 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000812824555 631791801 /nfs/dbraw/zinc/79/18/01/631791801.db2.gz VDTPFAIYKQGBDP-MRXNPFEDSA-N 1 1 289.354 2.709 20 30 CFEDMO C#CCC[N@H+](C)CCc1cccc(Br)c1 ZINC000812905839 631804431 /nfs/dbraw/zinc/80/44/31/631804431.db2.gz KVJANBHTERDYON-UHFFFAOYSA-N 1 1 266.182 2.947 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000843422047 631951000 /nfs/dbraw/zinc/95/10/00/631951000.db2.gz BKZNZTFJMXCTCC-LLVKDONJSA-N 1 1 265.303 2.906 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2c(F)ccc(O)c2F)C1 ZINC000843422047 631951003 /nfs/dbraw/zinc/95/10/03/631951003.db2.gz BKZNZTFJMXCTCC-LLVKDONJSA-N 1 1 265.303 2.906 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000843423570 631951909 /nfs/dbraw/zinc/95/19/09/631951909.db2.gz GEDHKXUBBKBEEL-ZDUSSCGKSA-N 1 1 259.349 2.636 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2c(C)nc3sc(C)nn23)C1 ZINC000843423330 631952308 /nfs/dbraw/zinc/95/23/08/631952308.db2.gz CHIMNGOUYLJQCA-ZDUSSCGKSA-N 1 1 288.420 2.643 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000843423572 631952530 /nfs/dbraw/zinc/95/25/30/631952530.db2.gz GIKKQGMZDPKNMG-KRWDZBQOSA-N 1 1 298.430 2.759 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000843424003 631953265 /nfs/dbraw/zinc/95/32/65/631953265.db2.gz NQQUORBWYBLFMW-CYBMUJFWSA-N 1 1 259.349 2.636 20 30 CFEDMO C[N@H+](CC(=O)OCC#CC1CCCCC1)[C@H]1CCSC1 ZINC000814092628 632008952 /nfs/dbraw/zinc/00/89/52/632008952.db2.gz UAIVZCNZHMXJJT-HNNXBMFYSA-N 1 1 295.448 2.551 20 30 CFEDMO C[N@@H+](CC(=O)OCC#CC1CCCCC1)[C@H]1CCSC1 ZINC000814092628 632008960 /nfs/dbraw/zinc/00/89/60/632008960.db2.gz UAIVZCNZHMXJJT-HNNXBMFYSA-N 1 1 295.448 2.551 20 30 CFEDMO CCCCCCCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000814145230 632018221 /nfs/dbraw/zinc/01/82/21/632018221.db2.gz MBELPPVLJNCCHR-UONOGXRCSA-N 1 1 252.402 2.509 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000814178600 632024466 /nfs/dbraw/zinc/02/44/66/632024466.db2.gz WMRUYUOZIDAVIH-SFHVURJKSA-N 1 1 269.388 2.916 20 30 CFEDMO CC(=[NH+]OCCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000814245560 632044874 /nfs/dbraw/zinc/04/48/74/632044874.db2.gz XSXDXYWPFHDEOZ-UHFFFAOYSA-N 1 1 263.297 2.718 20 30 CFEDMO C#CCN(C(=O)C[C@H](C)n1cc[nH+]c1CC)C1CCCC1 ZINC000843822762 632062374 /nfs/dbraw/zinc/06/23/74/632062374.db2.gz TXNSSTJQJYMWMN-AWEZNQCLSA-N 1 1 287.407 2.801 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1cscc1C#N ZINC000814612448 632098988 /nfs/dbraw/zinc/09/89/88/632098988.db2.gz SOOFQMIWFHDNSH-LBPRGKRZSA-N 1 1 278.377 2.651 20 30 CFEDMO CCCCCCC[N@H+]1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000814641315 632101236 /nfs/dbraw/zinc/10/12/36/632101236.db2.gz AWDKDVJBNFGRRC-CQSZACIVSA-N 1 1 275.458 2.713 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000814643872 632102769 /nfs/dbraw/zinc/10/27/69/632102769.db2.gz TXVJMFFZGNAMEK-GDBMZVCRSA-N 1 1 258.365 2.795 20 30 CFEDMO C[N@H+](Cc1cccc2nsnc21)CC(C)(C)C#N ZINC000814666270 632104451 /nfs/dbraw/zinc/10/44/51/632104451.db2.gz DJJDUUMJRLRPTJ-UHFFFAOYSA-N 1 1 260.366 2.673 20 30 CFEDMO C[N@@H+](Cc1cccc2nsnc21)CC(C)(C)C#N ZINC000814666270 632104452 /nfs/dbraw/zinc/10/44/52/632104452.db2.gz DJJDUUMJRLRPTJ-UHFFFAOYSA-N 1 1 260.366 2.673 20 30 CFEDMO Cc1nonc1C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000814660680 632104921 /nfs/dbraw/zinc/10/49/21/632104921.db2.gz YPIFMQAXFPGSPD-CQSZACIVSA-N 1 1 270.336 2.903 20 30 CFEDMO Cc1cc(F)ccc1[C@@H](O)C[N@@H+](C)CC(C)(C)C#N ZINC000814670428 632105846 /nfs/dbraw/zinc/10/58/46/632105846.db2.gz RXTOSICTGZUMOF-AWEZNQCLSA-N 1 1 264.344 2.649 20 30 CFEDMO Cc1cc(F)ccc1[C@@H](O)C[N@H+](C)CC(C)(C)C#N ZINC000814670428 632105855 /nfs/dbraw/zinc/10/58/55/632105855.db2.gz RXTOSICTGZUMOF-AWEZNQCLSA-N 1 1 264.344 2.649 20 30 CFEDMO C#C[C@@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000844148049 632126908 /nfs/dbraw/zinc/12/69/08/632126908.db2.gz ZRTRIKRNLRZLHE-IAGOWNOFSA-N 1 1 284.403 2.742 20 30 CFEDMO C#C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000844148055 632127112 /nfs/dbraw/zinc/12/71/12/632127112.db2.gz ZRTRIKRNLRZLHE-SJORKVTESA-N 1 1 284.403 2.742 20 30 CFEDMO CC(=[NH+]NCc1cccc(Cl)c1)c1ccc(N)nc1 ZINC000814867390 632141986 /nfs/dbraw/zinc/14/19/86/632141986.db2.gz CFQPCTOQUYDQHG-UHFFFAOYSA-N 1 1 274.755 2.831 20 30 CFEDMO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(F)c2ccccc12 ZINC000814897865 632153949 /nfs/dbraw/zinc/15/39/49/632153949.db2.gz OAGYDPPTKIXSEF-JTQLQIEISA-N 1 1 284.338 2.640 20 30 CFEDMO C#CC[N@@H+](C)CCCNc1ccc(C#N)cc1C(F)(F)F ZINC000814929675 632168927 /nfs/dbraw/zinc/16/89/27/632168927.db2.gz ODWWHSQCMJCCLN-UHFFFAOYSA-N 1 1 295.308 2.944 20 30 CFEDMO C#CCON=C1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000814936328 632173263 /nfs/dbraw/zinc/17/32/63/632173263.db2.gz LAPFFRIOSZSRFQ-AWEZNQCLSA-N 1 1 256.349 2.677 20 30 CFEDMO C[C@@H]1CC(N=Nc2nnc(-c3ccccc3)s2)C[N@@H+]1C ZINC000814947537 632177671 /nfs/dbraw/zinc/17/76/71/632177671.db2.gz XDUSPGVPJZJQHV-SNVBAGLBSA-N 1 1 287.392 2.697 20 30 CFEDMO C[C@@H]1CC(N=Nc2nnc(-c3ccccc3)s2)C[N@H+]1C ZINC000814947537 632177676 /nfs/dbraw/zinc/17/76/76/632177676.db2.gz XDUSPGVPJZJQHV-SNVBAGLBSA-N 1 1 287.392 2.697 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000844356410 632178907 /nfs/dbraw/zinc/17/89/07/632178907.db2.gz IDULMUHGGURQKK-CZUORRHYSA-N 1 1 276.355 2.718 20 30 CFEDMO Cc1cnc([C@H](C)[N@H+](C)C[C@H](O)c2cccc(C#N)c2)o1 ZINC000844368145 632181963 /nfs/dbraw/zinc/18/19/63/632181963.db2.gz WWJKATLQTSLGRL-WFASDCNBSA-N 1 1 285.347 2.581 20 30 CFEDMO Cc1cnc([C@H](C)[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)o1 ZINC000844368145 632181966 /nfs/dbraw/zinc/18/19/66/632181966.db2.gz WWJKATLQTSLGRL-WFASDCNBSA-N 1 1 285.347 2.581 20 30 CFEDMO C#CC[N@H+](CCOCC=C)[C@@H]1CCc2ccccc21 ZINC000815023530 632188086 /nfs/dbraw/zinc/18/80/86/632188086.db2.gz XMADSOOWWHVRPJ-QGZVFWFLSA-N 1 1 255.361 2.812 20 30 CFEDMO C[N@H+](Cc1ccn(-c2ccccc2)n1)[C@H]1CC[C@H](C#N)C1 ZINC000815020731 632188726 /nfs/dbraw/zinc/18/87/26/632188726.db2.gz GMAVLBYNMKUIJT-YOEHRIQHSA-N 1 1 280.375 2.996 20 30 CFEDMO C[N@@H+](Cc1ccn(-c2ccccc2)n1)[C@H]1CC[C@H](C#N)C1 ZINC000815020731 632188731 /nfs/dbraw/zinc/18/87/31/632188731.db2.gz GMAVLBYNMKUIJT-YOEHRIQHSA-N 1 1 280.375 2.996 20 30 CFEDMO C#CCNC(=O)CC[N@@H+](Cc1cccc(C)c1)CC(C)C ZINC000815029195 632189645 /nfs/dbraw/zinc/18/96/45/632189645.db2.gz LNVGLRIDJHPSEO-UHFFFAOYSA-N 1 1 286.419 2.593 20 30 CFEDMO C#CCNC(=O)CC[N@H+](CCCC)[C@@H](C)c1ccc(C)o1 ZINC000815030245 632189950 /nfs/dbraw/zinc/18/99/50/632189950.db2.gz YQPQWVGQKKAIKF-HNNXBMFYSA-N 1 1 290.407 2.891 20 30 CFEDMO C#CC[N@@H+](CC#CC)Cc1ccc(N(C)C)c(C)c1 ZINC000815054385 632192294 /nfs/dbraw/zinc/19/22/94/632192294.db2.gz JFXFJYXGXGAKNJ-UHFFFAOYSA-N 1 1 254.377 2.520 20 30 CFEDMO C#CC[N@H+](CC#CC)Cc1ccc(N(C)C)c(C)c1 ZINC000815054385 632192296 /nfs/dbraw/zinc/19/22/96/632192296.db2.gz JFXFJYXGXGAKNJ-UHFFFAOYSA-N 1 1 254.377 2.520 20 30 CFEDMO C#CC[N@H+](C[C@H](O)c1cccc2ccccc21)C1CC1 ZINC000815092691 632200127 /nfs/dbraw/zinc/20/01/27/632200127.db2.gz OLHJDBYBTLNMBP-SFHVURJKSA-N 1 1 265.356 2.971 20 30 CFEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@H](c2ccc(CC)cc2)C1 ZINC000815117648 632204423 /nfs/dbraw/zinc/20/44/23/632204423.db2.gz SMUOKHKVQLLQFD-SFHVURJKSA-N 1 1 298.430 2.568 20 30 CFEDMO Cn1ncc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c1Cl ZINC000815138578 632214804 /nfs/dbraw/zinc/21/48/04/632214804.db2.gz XEUGZQDERMNKJG-AWEZNQCLSA-N 1 1 286.766 2.722 20 30 CFEDMO N#Cc1cccc2c1C[N@H+](CC1CCC3(CC1)OCCO3)C2 ZINC000844471433 632224800 /nfs/dbraw/zinc/22/48/00/632224800.db2.gz DEUOHPIZJRDANC-UHFFFAOYSA-N 1 1 298.386 2.807 20 30 CFEDMO N#Cc1cccc2c1C[N@@H+](CC1CCC3(CC1)OCCO3)C2 ZINC000844471433 632224803 /nfs/dbraw/zinc/22/48/03/632224803.db2.gz DEUOHPIZJRDANC-UHFFFAOYSA-N 1 1 298.386 2.807 20 30 CFEDMO CC#CC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000815281530 632243418 /nfs/dbraw/zinc/24/34/18/632243418.db2.gz GSGALRFEIXRBLO-UHFFFAOYSA-N 1 1 252.701 2.703 20 30 CFEDMO CC#CC[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000815281530 632243423 /nfs/dbraw/zinc/24/34/23/632243423.db2.gz GSGALRFEIXRBLO-UHFFFAOYSA-N 1 1 252.701 2.703 20 30 CFEDMO CC#CC[N@@H+](C)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000815282067 632243506 /nfs/dbraw/zinc/24/35/06/632243506.db2.gz PDKOPUQUYOIQBK-UHFFFAOYSA-N 1 1 285.343 2.516 20 30 CFEDMO CC#CC[N@H+](C)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000815282067 632243510 /nfs/dbraw/zinc/24/35/10/632243510.db2.gz PDKOPUQUYOIQBK-UHFFFAOYSA-N 1 1 285.343 2.516 20 30 CFEDMO C=C(C)COC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815446499 632276352 /nfs/dbraw/zinc/27/63/52/632276352.db2.gz XLUSQHRVXCSSEF-CQSZACIVSA-N 1 1 251.370 2.903 20 30 CFEDMO CCCC(N)=[NH+]OCc1coc(-c2ccc(OC)cc2)n1 ZINC000105605705 632301268 /nfs/dbraw/zinc/30/12/68/632301268.db2.gz IJORWFGRFJKABW-UHFFFAOYSA-N 1 1 289.335 2.939 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@@H](CCc1ccccc1)C(F)F ZINC000815651852 632305060 /nfs/dbraw/zinc/30/50/60/632305060.db2.gz GKDGPBKQKMPGQX-INIZCTEOSA-N 1 1 294.389 2.798 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@@H](CC)c1ccc(F)cc1F ZINC000815652747 632306833 /nfs/dbraw/zinc/30/68/33/632306833.db2.gz QGAJYQXACWLCKH-INIZCTEOSA-N 1 1 280.362 2.961 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@@H](CC)c1ccc(F)cc1F ZINC000815652747 632306834 /nfs/dbraw/zinc/30/68/34/632306834.db2.gz QGAJYQXACWLCKH-INIZCTEOSA-N 1 1 280.362 2.961 20 30 CFEDMO CCc1ccc(C#CC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)cc1 ZINC000815892288 632329574 /nfs/dbraw/zinc/32/95/74/632329574.db2.gz LWQADOFBEARHLO-CVEARBPZSA-N 1 1 298.430 2.542 20 30 CFEDMO C=C[C@H](C)ONC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000845622060 632488349 /nfs/dbraw/zinc/48/83/49/632488349.db2.gz ILCMKLMHVCRCIC-ZFWWWQNUSA-N 1 1 295.427 2.589 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(C)C ZINC000816608392 632492663 /nfs/dbraw/zinc/49/26/63/632492663.db2.gz YHIBLFRGZGRAAG-GFCCVEGCSA-N 1 1 255.720 2.932 20 30 CFEDMO C=C[C@H](C)ONC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000845638740 632499143 /nfs/dbraw/zinc/49/91/43/632499143.db2.gz MEYWJNIHIAEYSW-ZNMIVQPWSA-N 1 1 297.443 2.550 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@H](O)CC1 ZINC000816667227 632508465 /nfs/dbraw/zinc/50/84/65/632508465.db2.gz HDSZCCKYKNRZGN-ZDUSSCGKSA-N 1 1 293.794 2.699 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000816666701 632508795 /nfs/dbraw/zinc/50/87/95/632508795.db2.gz UQHNXJLMCDDZJW-MOPGFXCFSA-N 1 1 297.398 2.842 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000816666701 632508797 /nfs/dbraw/zinc/50/87/97/632508797.db2.gz UQHNXJLMCDDZJW-MOPGFXCFSA-N 1 1 297.398 2.842 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000816667226 632509112 /nfs/dbraw/zinc/50/91/12/632509112.db2.gz HDSZCCKYKNRZGN-CYBMUJFWSA-N 1 1 293.794 2.699 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000816666003 632509141 /nfs/dbraw/zinc/50/91/41/632509141.db2.gz BSNLKZINKLTJKZ-MOPGFXCFSA-N 1 1 297.398 2.842 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000816666003 632509146 /nfs/dbraw/zinc/50/91/46/632509146.db2.gz BSNLKZINKLTJKZ-MOPGFXCFSA-N 1 1 297.398 2.842 20 30 CFEDMO C=C[C@](C)(CCOC)C(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845729547 632536706 /nfs/dbraw/zinc/53/67/06/632536706.db2.gz ATCYQDPQSNWMSZ-XJKSGUPXSA-N 1 1 283.412 2.631 20 30 CFEDMO C=C(C)[C@H](CC(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C)OCC ZINC000845733918 632540324 /nfs/dbraw/zinc/54/03/24/632540324.db2.gz MVNAZHBOMRCGCS-KBPBESRZSA-N 1 1 283.412 2.774 20 30 CFEDMO C=C(C)CC[C@H](C)OC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000845865964 632586653 /nfs/dbraw/zinc/58/66/53/632586653.db2.gz FCNVDVOHLQERFY-QWHCGFSZSA-N 1 1 271.426 2.712 20 30 CFEDMO C=C(C)CC[C@H](C)OC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000845865964 632586656 /nfs/dbraw/zinc/58/66/56/632586656.db2.gz FCNVDVOHLQERFY-QWHCGFSZSA-N 1 1 271.426 2.712 20 30 CFEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000817298320 632599088 /nfs/dbraw/zinc/59/90/88/632599088.db2.gz KEDYVZLPWJGTTB-OAHLLOKOSA-N 1 1 288.391 2.573 20 30 CFEDMO Nc1ccc2c(c1)C(=[NH+][N-]c1cc[nH+]cc1)CCCC2 ZINC000817326966 632602530 /nfs/dbraw/zinc/60/25/30/632602530.db2.gz ZGCOISNMYTYMIK-UHFFFAOYSA-N 1 1 266.348 2.628 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cn(-c2cccc(C)c2)nc1C ZINC000845964284 632606262 /nfs/dbraw/zinc/60/62/62/632606262.db2.gz GWCXRYGDCPCQDN-CQSZACIVSA-N 1 1 267.376 2.943 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cn(-c2cccc(C)c2)nc1C ZINC000845964284 632606264 /nfs/dbraw/zinc/60/62/64/632606264.db2.gz GWCXRYGDCPCQDN-CQSZACIVSA-N 1 1 267.376 2.943 20 30 CFEDMO C[N@H+]1CCC[C@H](CCNc2snc(Cl)c2C#N)C1 ZINC000840340921 632620220 /nfs/dbraw/zinc/62/02/20/632620220.db2.gz REYNSWJPSAWVND-SECBINFHSA-N 1 1 284.816 2.812 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](C)OCC23CCC3)cc1 ZINC000846066964 632627205 /nfs/dbraw/zinc/62/72/05/632627205.db2.gz KDZJRSDMTBGUBH-CQSZACIVSA-N 1 1 255.361 2.811 20 30 CFEDMO CCCCCC[N@@H+](C)CC(=O)N1CCc2c1cccc2C#N ZINC000817641329 632680997 /nfs/dbraw/zinc/68/09/97/632680997.db2.gz XBIZFYLKQPPDPA-UHFFFAOYSA-N 1 1 299.418 2.959 20 30 CFEDMO C=C(C)CONC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000846539633 632728554 /nfs/dbraw/zinc/72/85/54/632728554.db2.gz KJQYDDZXMJRQHX-MRXNPFEDSA-N 1 1 288.391 2.523 20 30 CFEDMO C=CCc1cc(CN[C@@H](C)C[C@H](C)[NH3+])cc(OC)c1OC ZINC000817908725 632730300 /nfs/dbraw/zinc/73/03/00/632730300.db2.gz IAQRNTBVAZWKGQ-STQMWFEESA-N 1 1 292.423 2.648 20 30 CFEDMO COc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1C#N ZINC000817915726 632732136 /nfs/dbraw/zinc/73/21/36/632732136.db2.gz QNDBATXEWWXPKT-BRWVUGGUSA-N 1 1 299.418 2.577 20 30 CFEDMO Cc1ccccc1-c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000818377329 632839373 /nfs/dbraw/zinc/83/93/73/632839373.db2.gz DBZPSJYEBGIHQB-GFCCVEGCSA-N 1 1 256.309 2.739 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(C2CCC2)cc1 ZINC000818588728 632873599 /nfs/dbraw/zinc/87/35/99/632873599.db2.gz DXIWXGXDOXAFHN-UHFFFAOYSA-N 1 1 284.403 2.639 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000847019951 632883305 /nfs/dbraw/zinc/88/33/05/632883305.db2.gz TWRGFSVIJDQGDW-GFCCVEGCSA-N 1 1 291.778 2.956 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000847019951 632883308 /nfs/dbraw/zinc/88/33/08/632883308.db2.gz TWRGFSVIJDQGDW-GFCCVEGCSA-N 1 1 291.778 2.956 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000847021419 632884034 /nfs/dbraw/zinc/88/40/34/632884034.db2.gz LWSWUFIIFATMPU-DOMZBBRYSA-N 1 1 263.768 2.719 20 30 CFEDMO C#C[C@@H]1CCC[N@H+]([C@@H]2CCCN(Cc3ccccc3)C2=O)C1 ZINC000847021334 632884820 /nfs/dbraw/zinc/88/48/20/632884820.db2.gz JNGPETNZVHMNTH-SJLPKXTDSA-N 1 1 296.414 2.523 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000847022377 632886458 /nfs/dbraw/zinc/88/64/58/632886458.db2.gz HBRNNESURVPTIL-QAPCUYQASA-N 1 1 296.414 2.525 20 30 CFEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)C1 ZINC000847021894 632886770 /nfs/dbraw/zinc/88/67/70/632886770.db2.gz CTFJDORSYDJBOM-GVDBMIGSSA-N 1 1 298.430 2.906 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000847022277 632886795 /nfs/dbraw/zinc/88/67/95/632886795.db2.gz SXDIIONCQWEIER-AWEZNQCLSA-N 1 1 288.366 2.808 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000847023861 632888617 /nfs/dbraw/zinc/88/86/17/632888617.db2.gz FYXMIRLPIUNYKX-LBPRGKRZSA-N 1 1 276.767 2.624 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2)C1 ZINC000847023861 632888620 /nfs/dbraw/zinc/88/86/20/632888620.db2.gz FYXMIRLPIUNYKX-LBPRGKRZSA-N 1 1 276.767 2.624 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000847023481 632889834 /nfs/dbraw/zinc/88/98/34/632889834.db2.gz CNESIIKGDPKWER-CQSZACIVSA-N 1 1 255.361 2.509 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000847025005 632890549 /nfs/dbraw/zinc/89/05/49/632890549.db2.gz MKMHRQQUPDBZSS-GFCCVEGCSA-N 1 1 285.322 2.721 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000847025005 632890552 /nfs/dbraw/zinc/89/05/52/632890552.db2.gz MKMHRQQUPDBZSS-GFCCVEGCSA-N 1 1 285.322 2.721 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)C2CC2)C1 ZINC000847025737 632891515 /nfs/dbraw/zinc/89/15/15/632891515.db2.gz WMQJNYXXCUGOQX-MRXNPFEDSA-N 1 1 296.414 2.523 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CCOc2ccccc2C(C)=O)C1 ZINC000847026773 632891814 /nfs/dbraw/zinc/89/18/14/632891814.db2.gz GUYYZQYZFVSOHF-HNNXBMFYSA-N 1 1 271.360 2.613 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2c(C)cccc2CC)C1 ZINC000847026370 632893018 /nfs/dbraw/zinc/89/30/18/632893018.db2.gz YFXWAAXAJZQMCW-HNNXBMFYSA-N 1 1 284.403 2.841 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2c(C)cccc2CC)C1 ZINC000847026370 632893028 /nfs/dbraw/zinc/89/30/28/632893028.db2.gz YFXWAAXAJZQMCW-HNNXBMFYSA-N 1 1 284.403 2.841 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000847027389 632893070 /nfs/dbraw/zinc/89/30/70/632893070.db2.gz AVMQMNZPRGOVBC-OAHLLOKOSA-N 1 1 265.360 2.718 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000847027416 632893325 /nfs/dbraw/zinc/89/33/25/632893325.db2.gz SNCLYAIMWOYLKQ-LLVKDONJSA-N 1 1 262.284 2.579 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000847027416 632893327 /nfs/dbraw/zinc/89/33/27/632893327.db2.gz SNCLYAIMWOYLKQ-LLVKDONJSA-N 1 1 262.284 2.579 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(CC)cc2)C1 ZINC000847028676 632893725 /nfs/dbraw/zinc/89/37/25/632893725.db2.gz JYRRBQVSDFOUPW-QGZVFWFLSA-N 1 1 298.430 2.553 20 30 CFEDMO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000847028613 632894782 /nfs/dbraw/zinc/89/47/82/632894782.db2.gz JNRHAGVLUOIDIW-CVEARBPZSA-N 1 1 284.403 2.976 20 30 CFEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C2CCCCC2)C1 ZINC000847029172 632894862 /nfs/dbraw/zinc/89/48/62/632894862.db2.gz LMEMOQUUBUVADF-GJZGRUSLSA-N 1 1 276.424 2.511 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000847031282 632895574 /nfs/dbraw/zinc/89/55/74/632895574.db2.gz TUECXSNLJSFFKB-GFCCVEGCSA-N 1 1 291.778 2.956 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000847031282 632895582 /nfs/dbraw/zinc/89/55/82/632895582.db2.gz TUECXSNLJSFFKB-GFCCVEGCSA-N 1 1 291.778 2.956 20 30 CFEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2)C1 ZINC000847031849 632896193 /nfs/dbraw/zinc/89/61/93/632896193.db2.gz 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C=CC1CC[NH+](Cc2ccc(Br)nc2N)CC1 ZINC000929617464 649079520 /nfs/dbraw/zinc/07/95/20/649079520.db2.gz JVJKEHIMSATTTF-UHFFFAOYSA-N 1 1 296.212 2.824 20 30 CFEDMO CN1CCC[C@@H](C[N@H+](C)CC2CCC(C#N)CC2)C1 ZINC000929700630 649101204 /nfs/dbraw/zinc/10/12/04/649101204.db2.gz FRYOTDJYNBJDAZ-UYSNPLJNSA-N 1 1 263.429 2.590 20 30 CFEDMO CN1CCC[C@@H](C[N@@H+](C)CC2CCC(C#N)CC2)C1 ZINC000929700630 649101206 /nfs/dbraw/zinc/10/12/06/649101206.db2.gz FRYOTDJYNBJDAZ-UYSNPLJNSA-N 1 1 263.429 2.590 20 30 CFEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)C[C@H](O)CC#N ZINC000929724765 649107213 /nfs/dbraw/zinc/10/72/13/649107213.db2.gz UCTQCUIDYGQQAY-IAGOWNOFSA-N 1 1 274.408 2.913 20 30 CFEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000929753701 649112155 /nfs/dbraw/zinc/11/21/55/649112155.db2.gz DUQAXRCBVSJOPF-OKILXGFUSA-N 1 1 270.376 2.584 20 30 CFEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2cncc(C#N)c2)C1(C)C ZINC000929756341 649113217 /nfs/dbraw/zinc/11/32/17/649113217.db2.gz FANWHEAEQRDISA-ZBFHGGJFSA-N 1 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AYUDCTVQQHUIAA-MRXNPFEDSA-N 1 1 287.407 2.550 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ncccc2C)C1 ZINC001034150139 780907356 /nfs/dbraw/zinc/90/73/56/780907356.db2.gz KYOPEYVZERSPTJ-OAHLLOKOSA-N 1 1 287.407 2.550 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)CC2CCC2)C1 ZINC001034150982 780907972 /nfs/dbraw/zinc/90/79/72/780907972.db2.gz KVAJNKJMAOVGCI-HNNXBMFYSA-N 1 1 264.413 2.723 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC001034173842 780911245 /nfs/dbraw/zinc/91/12/45/780911245.db2.gz WRQCYZPISNGTJX-HNNXBMFYSA-N 1 1 290.407 2.677 20 30 CFEDMO C=CCn1cccc1C(=O)N[C@H]1CCCC[N@H+](C(C)C)C1 ZINC001034247392 780929845 /nfs/dbraw/zinc/92/98/45/780929845.db2.gz OGCQHEJYVVCJLQ-HNNXBMFYSA-N 1 1 289.423 2.667 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001034261289 780932024 /nfs/dbraw/zinc/93/20/24/780932024.db2.gz UZAVTDLLIXXCLV-OLZOCXBDSA-N 1 1 286.366 2.579 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001034275133 780936320 /nfs/dbraw/zinc/93/63/20/780936320.db2.gz XBTBQCLHCPMDPF-JKSUJKDBSA-N 1 1 288.435 2.561 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001034300328 780940353 /nfs/dbraw/zinc/94/03/53/780940353.db2.gz HXVAPCCQIAHTLW-HNNXBMFYSA-N 1 1 290.382 2.904 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001034300343 780941093 /nfs/dbraw/zinc/94/10/93/780941093.db2.gz HXVAPCCQIAHTLW-OAHLLOKOSA-N 1 1 290.382 2.904 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001034299030 780941127 /nfs/dbraw/zinc/94/11/27/780941127.db2.gz ZXOVTIRENVBCAP-GOSISDBHSA-N 1 1 298.430 2.532 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)C2CCC3(CC3)CC2)C1 ZINC001034316383 780944807 /nfs/dbraw/zinc/94/48/07/780944807.db2.gz USFOACFZBMXXBL-INIZCTEOSA-N 1 1 288.435 2.561 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001034321433 780946387 /nfs/dbraw/zinc/94/63/87/780946387.db2.gz TWKUHJNWTPNQDC-ULQDDVLXSA-N 1 1 290.451 2.969 20 30 CFEDMO C=CCC[N@H+]1CCO[C@](C)(CNC(=O)CC(C)=C(C)C)C1 ZINC001108125029 780947197 /nfs/dbraw/zinc/94/71/97/780947197.db2.gz WRHYPIVPEGWVST-QGZVFWFLSA-N 1 1 294.439 2.516 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001034343223 780952502 /nfs/dbraw/zinc/95/25/02/780952502.db2.gz PISGULPCMNPWNW-HOTGVXAUSA-N 1 1 276.424 2.890 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001034360913 780958221 /nfs/dbraw/zinc/95/82/21/780958221.db2.gz LKUZVLHQQCMEKX-MRXNPFEDSA-N 1 1 290.451 2.807 20 30 CFEDMO C#CC[N@H+]1CCCC[C@@H](NC(=O)c2occc2C(C)C)C1 ZINC001034361590 780958339 /nfs/dbraw/zinc/95/83/39/780958339.db2.gz QORUBKYEQICUHS-CQSZACIVSA-N 1 1 288.391 2.621 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2occc2C(C)C)C1 ZINC001034361590 780958342 /nfs/dbraw/zinc/95/83/42/780958342.db2.gz QORUBKYEQICUHS-CQSZACIVSA-N 1 1 288.391 2.621 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cccnc2C)C1 ZINC001034380189 780960785 /nfs/dbraw/zinc/96/07/85/780960785.db2.gz SBZBLYNXTYPVAF-OAHLLOKOSA-N 1 1 287.407 2.550 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C2(C)CCCCC2)C1 ZINC001034378047 780960916 /nfs/dbraw/zinc/96/09/16/780960916.db2.gz OMNPGYRSCXRNLO-MRXNPFEDSA-N 1 1 290.451 2.951 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)Cc2occc2C)C1 ZINC001034386256 780962267 /nfs/dbraw/zinc/96/22/67/780962267.db2.gz YAXXTBRWCGMCAH-HNNXBMFYSA-N 1 1 290.407 2.677 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001034385981 780962536 /nfs/dbraw/zinc/96/25/36/780962536.db2.gz ORJSGCUTHGDDSV-GJZGRUSLSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)C1 ZINC001034388190 780962872 /nfs/dbraw/zinc/96/28/72/780962872.db2.gz FEUDIMUDKTWHFO-HLLBOEOZSA-N 1 1 276.424 2.723 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)cc(F)c2)C1 ZINC001034425653 780967921 /nfs/dbraw/zinc/96/79/21/780967921.db2.gz WPHYFAYUEUZGJN-MRXNPFEDSA-N 1 1 290.382 2.904 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2cccc3[nH]ccc32)C1 ZINC001034424318 780968266 /nfs/dbraw/zinc/96/82/66/780968266.db2.gz NRGLRFSVMPIFKR-AWEZNQCLSA-N 1 1 297.402 2.938 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)Cc2ccsc2C)C1 ZINC001034438294 780975948 /nfs/dbraw/zinc/97/59/48/780975948.db2.gz LWIUDXYEHJEJHS-HNNXBMFYSA-N 1 1 292.448 2.756 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001034480513 780982021 /nfs/dbraw/zinc/98/20/21/780982021.db2.gz LEPCKVCMCKIQBN-WBVHZDCISA-N 1 1 290.451 2.807 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001034497373 780983413 /nfs/dbraw/zinc/98/34/13/780983413.db2.gz SPJCLKACQKZSGZ-BRWVUGGUSA-N 1 1 290.451 2.807 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001034497878 780983899 /nfs/dbraw/zinc/98/38/99/780983899.db2.gz HHPYUGIESATIJO-LBPRGKRZSA-N 1 1 272.820 2.756 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001034497878 780983904 /nfs/dbraw/zinc/98/39/04/780983904.db2.gz HHPYUGIESATIJO-LBPRGKRZSA-N 1 1 272.820 2.756 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001034508163 780987956 /nfs/dbraw/zinc/98/79/56/780987956.db2.gz UANAOKAOYXWBKR-QGZVFWFLSA-N 1 1 298.430 2.911 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001034541078 780995880 /nfs/dbraw/zinc/99/58/80/780995880.db2.gz MKPVSZFNEFQYMD-SFHVURJKSA-N 1 1 296.414 2.782 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001034549416 780996719 /nfs/dbraw/zinc/99/67/19/780996719.db2.gz YWRDUTPIJKBWFX-LLVKDONJSA-N 1 1 282.384 2.658 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(F)s2)C1 ZINC001034549416 780996725 /nfs/dbraw/zinc/99/67/25/780996725.db2.gz YWRDUTPIJKBWFX-LLVKDONJSA-N 1 1 282.384 2.658 20 30 CFEDMO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)c1cc[nH]c1)CC2 ZINC001035187877 781128052 /nfs/dbraw/zinc/12/80/52/781128052.db2.gz JLVVIAKABVOSPQ-UHFFFAOYSA-N 1 1 287.407 2.519 20 30 CFEDMO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)c1cc[nH]c1)CC2 ZINC001035188359 781128244 /nfs/dbraw/zinc/12/82/44/781128244.db2.gz BCWVPCFMISJLSN-UHFFFAOYSA-N 1 1 287.407 2.519 20 30 CFEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1C[C@@H]1C)CC2 ZINC001035221967 781130130 /nfs/dbraw/zinc/13/01/30/781130130.db2.gz SOWANLIHKQRBCD-JKSUJKDBSA-N 1 1 290.451 2.923 20 30 CFEDMO C=C(C)C(C)(C)C(=O)N1CCC2(CC[N@@H+](CCF)C2)CC1 ZINC001035213608 781131119 /nfs/dbraw/zinc/13/11/19/781131119.db2.gz MSKFCHPYHVDKCD-UHFFFAOYSA-N 1 1 296.430 2.873 20 30 CFEDMO CC#CC[N@@H+]1CCC2(C1)CCN(C(=O)C1(CC)CC1)CC2 ZINC001035227323 781131155 /nfs/dbraw/zinc/13/11/55/781131155.db2.gz VVCGVNAKVSVRKN-UHFFFAOYSA-N 1 1 288.435 2.514 20 30 CFEDMO C=CC(C)(C)C(=O)N1CCC2(CC[N@@H+](CC3CC3)C2)CC1 ZINC001035213889 781131239 /nfs/dbraw/zinc/13/12/39/781131239.db2.gz QCABUAQHUPEGGE-UHFFFAOYSA-N 1 1 290.451 2.923 20 30 CFEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1C[C@@]1(C)CC)CC2 ZINC001035246640 781133169 /nfs/dbraw/zinc/13/31/69/781133169.db2.gz YBLBHJWDLLZVJD-DOTOQJQBSA-N 1 1 290.451 2.923 20 30 CFEDMO C=CC(C)(C)C(=O)N1CCC2(C[NH+](C/C=C\Cl)C2)CC1 ZINC001035765131 781165050 /nfs/dbraw/zinc/16/50/50/781165050.db2.gz QLSKUYCENDBSJE-YVMONPNESA-N 1 1 296.842 2.876 20 30 CFEDMO C#Cc1cccc(-c2cccc(C[C@](C)([NH3+])C(=O)OC)c2)c1 ZINC001241921173 781182436 /nfs/dbraw/zinc/18/24/36/781182436.db2.gz FYSHSUCQZIZPCO-IBGZPJMESA-N 1 1 293.366 2.768 20 30 CFEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C(C)(C)F ZINC001098855613 781207074 /nfs/dbraw/zinc/20/70/74/781207074.db2.gz OAJIBWDXUWBULC-CYBMUJFWSA-N 1 1 284.419 2.917 20 30 CFEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000707704281 781261335 /nfs/dbraw/zinc/26/13/35/781261335.db2.gz WXPLUJFEBMGEGX-OWCLPIDISA-N 1 1 288.416 2.562 20 30 CFEDMO Cc1cc(N)[nH+]cc1-c1ccc(F)cc1OCC#N ZINC001242083663 781270454 /nfs/dbraw/zinc/27/04/54/781270454.db2.gz BRVPYYUALHOVTN-UHFFFAOYSA-N 1 1 257.268 2.681 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)C3CCC3)CC[C@@H]21 ZINC001036619524 781300084 /nfs/dbraw/zinc/30/00/84/781300084.db2.gz RNXUKOHVDCTHPA-HOTGVXAUSA-N 1 1 276.424 2.676 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccco3)CC[C@H]21 ZINC001036625593 781319422 /nfs/dbraw/zinc/31/94/22/781319422.db2.gz IZMXVNOVFGNRJQ-HUUCEWRRSA-N 1 1 288.391 2.782 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)c3cccnc3)CC[C@H]21 ZINC001036625584 781319500 /nfs/dbraw/zinc/31/95/00/781319500.db2.gz IXMLBWNXPRFLKQ-IAGOWNOFSA-N 1 1 299.418 2.584 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CC3CCCC3)CC[C@H]21 ZINC001036631663 781336045 /nfs/dbraw/zinc/33/60/45/781336045.db2.gz AUTDFNBDSAPVGD-DLBZAZTESA-N 1 1 288.435 2.513 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H]2CN(C(=O)c3cccc(C)c3)CC[C@H]21 ZINC001036630906 781336263 /nfs/dbraw/zinc/33/62/63/781336263.db2.gz NQWVDIJTJJVTIT-ZWKOTPCHSA-N 1 1 296.414 2.555 20 30 CFEDMO C=CC[N@H+]1CC[C@H]2CN(C(=O)CC3CCCC3)CC[C@H]21 ZINC001036632162 781337155 /nfs/dbraw/zinc/33/71/55/781337155.db2.gz IRGMXWNKCBYYKW-JKSUJKDBSA-N 1 1 276.424 2.676 20 30 CFEDMO C=CCC[N@H+]1CC[C@H]2CN(C(=O)c3ccsc3)CC[C@H]21 ZINC001036638355 781340791 /nfs/dbraw/zinc/34/07/91/781340791.db2.gz DJTWRKQLPQIWOF-DZGCQCFKSA-N 1 1 290.432 2.861 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@H]2CN(C(=O)c3ccoc3)CC[C@H]21 ZINC001036646396 781343229 /nfs/dbraw/zinc/34/32/29/781343229.db2.gz BWCVISZJIJFCQJ-GOEBONIOSA-N 1 1 288.391 2.782 20 30 CFEDMO Cc1ccc(C[NH+]2CCOCC2)cc1-c1cncc(C#N)c1 ZINC001242275693 781358905 /nfs/dbraw/zinc/35/89/05/781358905.db2.gz UKKFPZMJNMRTJY-UHFFFAOYSA-N 1 1 293.370 2.761 20 30 CFEDMO C=CCC[N@H+]1CC[C@H]2CN(C(=O)CC3CCC3)CC[C@@H]21 ZINC001036678056 781404397 /nfs/dbraw/zinc/40/43/97/781404397.db2.gz KQKVZMQBOMSUBB-HOTGVXAUSA-N 1 1 276.424 2.676 20 30 CFEDMO CC1(C)C[C@H](C[N@H+]2CC[C@](C)(C#N)C2)C(C)(C)O1 ZINC000711282691 781406737 /nfs/dbraw/zinc/40/67/37/781406737.db2.gz SJJLVVBMPDIGJP-IUODEOHRSA-N 1 1 250.386 2.816 20 30 CFEDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000711304994 781407137 /nfs/dbraw/zinc/40/71/37/781407137.db2.gz WXFPNUOUHXXFPV-MLGOLLRUSA-N 1 1 276.355 2.680 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C3=CCCC3)CC[C@@H]21 ZINC001036686136 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20 30 CFEDMO N#Cc1ccc(C2([NH2+][C@H]3CCn4ccnc43)CCC2)cc1 ZINC000594520122 349441343 /nfs/dbraw/zinc/44/13/43/349441343.db2.gz ZOVCSFYRJGQPLB-HNNXBMFYSA-N 1 1 278.359 2.869 20 30 CFEDMO Cc1[nH+]cn(CCCCc2noc(C3(C#N)CCC3)n2)c1C ZINC000594534770 349442631 /nfs/dbraw/zinc/44/26/31/349442631.db2.gz PHSVOPAIUCPEJC-UHFFFAOYSA-N 1 1 299.378 2.851 20 30 CFEDMO CN(C)CCC[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594605639 349459947 /nfs/dbraw/zinc/45/99/47/349459947.db2.gz ACVALUASUVOSII-UHFFFAOYSA-N 1 1 273.424 2.871 20 30 CFEDMO CN(C)CCC[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000594605639 349459950 /nfs/dbraw/zinc/45/99/50/349459950.db2.gz ACVALUASUVOSII-UHFFFAOYSA-N 1 1 273.424 2.871 20 30 CFEDMO C[N@@H+](Cc1cn(-c2ccccc2C#N)nn1)C1CCCCC1 ZINC000594652887 349468518 /nfs/dbraw/zinc/46/85/18/349468518.db2.gz VKSKULWQGFCFIC-UHFFFAOYSA-N 1 1 295.390 2.903 20 30 CFEDMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594921884 349508768 /nfs/dbraw/zinc/50/87/68/349508768.db2.gz VCPIQZCVDGXNDF-QGZVFWFLSA-N 1 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/nfs/dbraw/zinc/52/45/99/349524599.db2.gz QGGNGRWGAGQGCV-UHFFFAOYSA-N 1 1 271.408 2.672 20 30 CFEDMO Cc1c[nH]c(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)n1 ZINC000594949969 349525352 /nfs/dbraw/zinc/52/53/52/349525352.db2.gz JPGIWXFQSDEJTK-HNNXBMFYSA-N 1 1 266.348 2.757 20 30 CFEDMO C=CCCn1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)nn1 ZINC000594970543 349535998 /nfs/dbraw/zinc/53/59/98/349535998.db2.gz XGIKLVULEZFPCR-UHFFFAOYSA-N 1 1 295.390 2.751 20 30 CFEDMO N#Cc1cccc(C2([NH2+]Cc3cscn3)CCOCC2)c1 ZINC000594982345 349537540 /nfs/dbraw/zinc/53/75/40/349537540.db2.gz FFZHTJFGINBDOD-UHFFFAOYSA-N 1 1 299.399 2.810 20 30 CFEDMO N#Cc1ccc(CN[C@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC000594979022 349537696 /nfs/dbraw/zinc/53/76/96/349537696.db2.gz ZWWUICWGAWZVRI-ZDUSSCGKSA-N 1 1 273.380 2.648 20 30 CFEDMO CC[NH+](CC)C[C@@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC000595330025 349603144 /nfs/dbraw/zinc/60/31/44/349603144.db2.gz GXJAWRWHLGCGAZ-SFHVURJKSA-N 1 1 285.435 2.764 20 30 CFEDMO C[N@@H+](CC1CC1)C[C@H]1CCN([C@@H](C#N)c2ccccc2)C1 ZINC000595334067 349604206 /nfs/dbraw/zinc/60/42/06/349604206.db2.gz VQLFHOYRWNXGDE-AEFFLSMTSA-N 1 1 283.419 2.915 20 30 CFEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN([C@@H](C#N)c2ccccc2)C1 ZINC000595334072 349604264 /nfs/dbraw/zinc/60/42/64/349604264.db2.gz VQLFHOYRWNXGDE-WMZOPIPTSA-N 1 1 283.419 2.915 20 30 CFEDMO C[C@H]1c2cccn2CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595287072 349590609 /nfs/dbraw/zinc/59/06/09/349590609.db2.gz KUIVPOWYCZJFNK-AWEZNQCLSA-N 1 1 265.360 2.979 20 30 CFEDMO CCOC(=O)[C@H]1CCCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595288078 349590918 /nfs/dbraw/zinc/59/09/18/349590918.db2.gz YAZKCANCTAWIIE-MRXNPFEDSA-N 1 1 286.375 2.518 20 30 CFEDMO CCOC(=O)[C@H]1CCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595288078 349590922 /nfs/dbraw/zinc/59/09/22/349590922.db2.gz YAZKCANCTAWIIE-MRXNPFEDSA-N 1 1 286.375 2.518 20 30 CFEDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595290568 349592089 /nfs/dbraw/zinc/59/20/89/349592089.db2.gz MBARTEVZHFMQDK-XJKSGUPXSA-N 1 1 258.365 2.600 20 30 CFEDMO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)on1 ZINC000595296467 349594866 /nfs/dbraw/zinc/59/48/66/349594866.db2.gz DKPLEVUMRGVUCK-UHFFFAOYSA-N 1 1 285.347 2.965 20 30 CFEDMO COc1cc(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)on1 ZINC000595296467 349594871 /nfs/dbraw/zinc/59/48/71/349594871.db2.gz DKPLEVUMRGVUCK-UHFFFAOYSA-N 1 1 285.347 2.965 20 30 CFEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000595297701 349595914 /nfs/dbraw/zinc/59/59/14/349595914.db2.gz JLSVQZIOSIVEEB-HUUCEWRRSA-N 1 1 293.455 2.753 20 30 CFEDMO CC(C)(CNc1ccc(C#N)c(Cl)c1)[NH+]1CCOCC1 ZINC000068427966 346851983 /nfs/dbraw/zinc/85/19/83/346851983.db2.gz JNZGWITXOSGXFO-UHFFFAOYSA-N 1 1 293.798 2.734 20 30 CFEDMO CCC(CC)C[N@@H+](CCC#N)C[C@@H](OC)[C@H]1CCOC1 ZINC000595348554 349609040 /nfs/dbraw/zinc/60/90/40/349609040.db2.gz SPEHZPUOBGUSCZ-JKSUJKDBSA-N 1 1 282.428 2.690 20 30 CFEDMO C[C@H](C#N)CN(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000595390588 349613949 /nfs/dbraw/zinc/61/39/49/349613949.db2.gz YVWSNTMGPNZBKH-QLFBSQMISA-N 1 1 263.429 2.588 20 30 CFEDMO CCC(CC)C[N@@H+](CC)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345770392 282161913 /nfs/dbraw/zinc/16/19/13/282161913.db2.gz LOOOVIZPPWKZBD-ZDUSSCGKSA-N 1 1 279.428 2.695 20 30 CFEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595465204 349634901 /nfs/dbraw/zinc/63/49/01/349634901.db2.gz HPITYOLLHCLBHS-PBHICJAKSA-N 1 1 272.392 2.726 20 30 CFEDMO CC[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCCO1 ZINC000595469972 349636720 /nfs/dbraw/zinc/63/67/20/349636720.db2.gz KWXAOJZWDVDPJX-INIZCTEOSA-N 1 1 258.365 2.602 20 30 CFEDMO C[N@H+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1(C)C ZINC000595470057 349637092 /nfs/dbraw/zinc/63/70/92/349637092.db2.gz LLAHMRJLOJOULV-CQSZACIVSA-N 1 1 277.799 2.931 20 30 CFEDMO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595482130 349639409 /nfs/dbraw/zinc/63/94/09/349639409.db2.gz ICJXNAJROYGXCW-QAPCUYQASA-N 1 1 283.419 2.659 20 30 CFEDMO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595482130 349639413 /nfs/dbraw/zinc/63/94/13/349639413.db2.gz ICJXNAJROYGXCW-QAPCUYQASA-N 1 1 283.419 2.659 20 30 CFEDMO Cc1noc([C@@H]2CCC[N@H+]2CCc2ccc(C#N)cc2)n1 ZINC000595485024 349640227 /nfs/dbraw/zinc/64/02/27/349640227.db2.gz UKOXBRWZOGGKNS-HNNXBMFYSA-N 1 1 282.347 2.629 20 30 CFEDMO COC(=O)[C@@H](CC(C)C)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595521642 349649904 /nfs/dbraw/zinc/64/99/04/349649904.db2.gz JSPXGAHYFLJBJL-MRXNPFEDSA-N 1 1 288.391 2.620 20 30 CFEDMO COC(=O)[C@@H](CC(C)C)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595521642 349649909 /nfs/dbraw/zinc/64/99/09/349649909.db2.gz JSPXGAHYFLJBJL-MRXNPFEDSA-N 1 1 288.391 2.620 20 30 CFEDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595498419 349642214 /nfs/dbraw/zinc/64/22/14/349642214.db2.gz SOEMORWFSBMULO-QAPCUYQASA-N 1 1 283.419 2.659 20 30 CFEDMO C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595498419 349642218 /nfs/dbraw/zinc/64/22/18/349642218.db2.gz SOEMORWFSBMULO-QAPCUYQASA-N 1 1 283.419 2.659 20 30 CFEDMO C[C@H]1[C@H](N2CCCC2)CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595498417 349642603 /nfs/dbraw/zinc/64/26/03/349642603.db2.gz SOEMORWFSBMULO-MAUKXSAKSA-N 1 1 283.419 2.659 20 30 CFEDMO C[C@H]1[C@H](N2CCCC2)CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595498417 349642606 /nfs/dbraw/zinc/64/26/06/349642606.db2.gz SOEMORWFSBMULO-MAUKXSAKSA-N 1 1 283.419 2.659 20 30 CFEDMO N#Cc1ccc(O[C@@H]2CC[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)nc1 ZINC000595500623 349643573 /nfs/dbraw/zinc/64/35/73/349643573.db2.gz FHPRLICXUSIQRF-XLNGHYISSA-N 1 1 297.402 2.843 20 30 CFEDMO CC[C@]1(CO)CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000426519077 529425856 /nfs/dbraw/zinc/42/58/56/529425856.db2.gz ADQMRBSVACNIBS-INIZCTEOSA-N 1 1 276.355 2.682 20 30 CFEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000595546422 349656547 /nfs/dbraw/zinc/65/65/47/349656547.db2.gz NWHFYIGNAACUMA-HNNXBMFYSA-N 1 1 272.392 2.585 20 30 CFEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@H](CO)Cc1ccccc1 ZINC000595592443 349667000 /nfs/dbraw/zinc/66/70/00/349667000.db2.gz OTHLCXMEVADXTF-IBGZPJMESA-N 1 1 294.398 2.788 20 30 CFEDMO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616680 349677120 /nfs/dbraw/zinc/67/71/20/349677120.db2.gz OBKCPCLFVKVRMK-FPCVCCKLSA-N 1 1 291.439 2.695 20 30 CFEDMO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616680 349677122 /nfs/dbraw/zinc/67/71/22/349677122.db2.gz OBKCPCLFVKVRMK-FPCVCCKLSA-N 1 1 291.439 2.695 20 30 CFEDMO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000595615050 349677716 /nfs/dbraw/zinc/67/77/16/349677716.db2.gz OMUZQAWNBJEUHR-NSHDSACASA-N 1 1 278.377 2.660 20 30 CFEDMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)s1 ZINC000595615050 349677720 /nfs/dbraw/zinc/67/77/20/349677720.db2.gz OMUZQAWNBJEUHR-NSHDSACASA-N 1 1 278.377 2.660 20 30 CFEDMO COC(=O)c1ccc(F)c(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595619528 349678654 /nfs/dbraw/zinc/67/86/54/349678654.db2.gz CKFVPSRNXBXDIX-GFCCVEGCSA-N 1 1 290.338 2.738 20 30 CFEDMO COC(=O)c1ccc(F)c(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595619528 349678658 /nfs/dbraw/zinc/67/86/58/349678658.db2.gz CKFVPSRNXBXDIX-GFCCVEGCSA-N 1 1 290.338 2.738 20 30 CFEDMO C[C@@H]1CCC[C@H](NC(=O)C[N@@H+]2CCC[C@@H](CC#N)C2)[C@@H]1C ZINC000595609022 349673711 /nfs/dbraw/zinc/67/37/11/349673711.db2.gz FFHSRZGTFZZRNW-WCVJEAGWSA-N 1 1 291.439 2.553 20 30 CFEDMO C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H](CC#N)C2)[C@@H]1C ZINC000595609022 349673713 /nfs/dbraw/zinc/67/37/13/349673713.db2.gz FFHSRZGTFZZRNW-WCVJEAGWSA-N 1 1 291.439 2.553 20 30 CFEDMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595608930 349673798 /nfs/dbraw/zinc/67/37/98/349673798.db2.gz CLMNEHIUXOPJOQ-GJZGRUSLSA-N 1 1 285.391 2.948 20 30 CFEDMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC#N)C2)c1 ZINC000595608930 349673800 /nfs/dbraw/zinc/67/38/00/349673800.db2.gz CLMNEHIUXOPJOQ-GJZGRUSLSA-N 1 1 285.391 2.948 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1C(=O)OC)[C@H](C)COC ZINC000595638854 349685473 /nfs/dbraw/zinc/68/54/73/349685473.db2.gz MOVKXKMFLCXTSO-CQSZACIVSA-N 1 1 291.391 2.539 20 30 CFEDMO CC(C)(C)OC(=O)CCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000595621468 349679720 /nfs/dbraw/zinc/67/97/20/349679720.db2.gz VFJGGDDESVANQI-CYBMUJFWSA-N 1 1 266.385 2.734 20 30 CFEDMO CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@@H](CC#N)C1 ZINC000595623593 349680828 /nfs/dbraw/zinc/68/08/28/349680828.db2.gz UPQHOBILVNYFFN-JKSUJKDBSA-N 1 1 263.429 2.875 20 30 CFEDMO CC(C)N1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623593 349680832 /nfs/dbraw/zinc/68/08/32/349680832.db2.gz UPQHOBILVNYFFN-JKSUJKDBSA-N 1 1 263.429 2.875 20 30 CFEDMO CC(C)N1CCCC[C@@H]1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623593 349680834 /nfs/dbraw/zinc/68/08/34/349680834.db2.gz UPQHOBILVNYFFN-JKSUJKDBSA-N 1 1 263.429 2.875 20 30 CFEDMO Cc1cc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)ccc1C#N ZINC000595627101 349682639 /nfs/dbraw/zinc/68/26/39/349682639.db2.gz VIRKMLDKINWKFO-QGZVFWFLSA-N 1 1 270.376 2.868 20 30 CFEDMO CC(C)([NH2+]Cc1cn(CC2CC2)nn1)c1cccc(C#N)c1 ZINC000595632053 349683785 /nfs/dbraw/zinc/68/37/85/349683785.db2.gz BSFOCVRUKBXBEV-UHFFFAOYSA-N 1 1 295.390 2.585 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](Cc2ccoc2C(=O)OC)C1 ZINC000595661385 349693231 /nfs/dbraw/zinc/69/32/31/349693231.db2.gz ZVXKIPMFJJTVCY-LBPRGKRZSA-N 1 1 263.337 2.854 20 30 CFEDMO C=CC[N@H+](CCCOc1cccc(C#N)c1)[C@@H](C)COC ZINC000595647822 349689160 /nfs/dbraw/zinc/68/91/60/349689160.db2.gz QIEHUNMGIPXGAQ-HNNXBMFYSA-N 1 1 288.391 2.850 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000595678698 349698654 /nfs/dbraw/zinc/69/86/54/349698654.db2.gz SXKQNLOJJJMPDS-YOEHRIQHSA-N 1 1 272.392 2.850 20 30 CFEDMO C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccc(F)c(C#N)c1)C2 ZINC000595689527 349702317 /nfs/dbraw/zinc/70/23/17/349702317.db2.gz QXUVJMZFLYKFPY-IYBDPMFKSA-N 1 1 274.339 2.556 20 30 CFEDMO C[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@@H]1CCO ZINC000595693009 349703724 /nfs/dbraw/zinc/70/37/24/349703724.db2.gz CTGJTZJAOGFHNH-XJKSGUPXSA-N 1 1 258.365 2.541 20 30 CFEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](CCF)C2)c1 ZINC000595756362 349725177 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260.337 2.526 20 30 CFEDMO C=C(C)C[N@@H+](CC)Cc1nccn1CC(F)(F)F ZINC000265116589 348320377 /nfs/dbraw/zinc/32/03/77/348320377.db2.gz IXFLAECYBDZGIQ-UHFFFAOYSA-N 1 1 261.291 2.843 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1nccn1CC(F)(F)F ZINC000265116589 348320384 /nfs/dbraw/zinc/32/03/84/348320384.db2.gz IXFLAECYBDZGIQ-UHFFFAOYSA-N 1 1 261.291 2.843 20 30 CFEDMO COc1ccccc1O[C@@H]1CCC[N@@H+](CCCC#N)C1 ZINC000286457459 348347515 /nfs/dbraw/zinc/34/75/15/348347515.db2.gz MWHHKGMUVVKUQA-CQSZACIVSA-N 1 1 274.364 2.842 20 30 CFEDMO C[C@H](CC#N)[NH2+]CCOc1ccccc1Br ZINC000309745982 348406982 /nfs/dbraw/zinc/40/69/82/348406982.db2.gz JDDURPSTLUHVES-SNVBAGLBSA-N 1 1 283.169 2.720 20 30 CFEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C)[C@@H](C)C1 ZINC000311271231 348412204 /nfs/dbraw/zinc/41/22/04/348412204.db2.gz KWXFHZKIPGTIKI-XJKSGUPXSA-N 1 1 258.365 2.866 20 30 CFEDMO CCOc1ncccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000128871116 187396165 /nfs/dbraw/zinc/39/61/65/187396165.db2.gz FHKOBIDFBMZIAZ-UHFFFAOYSA-N 1 1 267.332 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CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@@H](CC)CO1 ZINC000403898234 348588537 /nfs/dbraw/zinc/58/85/37/348588537.db2.gz ULGSZESYXFAKEI-JKSUJKDBSA-N 1 1 258.365 2.948 20 30 CFEDMO C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCC#N ZINC000404450114 348592293 /nfs/dbraw/zinc/59/22/93/348592293.db2.gz YJVSCBAUUWWQPF-ARFHVFGLSA-N 1 1 271.408 2.883 20 30 CFEDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)c2nccn21 ZINC000404682800 348594401 /nfs/dbraw/zinc/59/44/01/348594401.db2.gz MCJGYKMSDONJPK-HZMBPMFUSA-N 1 1 270.311 2.689 20 30 CFEDMO COc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)c1 ZINC000397824039 348564799 /nfs/dbraw/zinc/56/47/99/348564799.db2.gz LPOVAGXQXYEXML-LBPRGKRZSA-N 1 1 262.328 2.960 20 30 CFEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(F)c1 ZINC000397824039 348564803 /nfs/dbraw/zinc/56/48/03/348564803.db2.gz LPOVAGXQXYEXML-LBPRGKRZSA-N 1 1 262.328 2.960 20 30 CFEDMO C[N@@H+]1CCO[C@@H](CSCc2ccc(C#N)cc2Cl)C1 ZINC000400957883 348575676 /nfs/dbraw/zinc/57/56/76/348575676.db2.gz 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JFIKTRPACSTTLG-DOTOQJQBSA-N 1 1 283.419 2.624 20 30 CFEDMO CN1C[C@@H]2CC[N@H+](Cc3ccccc3C(C)(C)C#N)[C@@H]2C1 ZINC000590010435 348869961 /nfs/dbraw/zinc/86/99/61/348869961.db2.gz JFIKTRPACSTTLG-DOTOQJQBSA-N 1 1 283.419 2.624 20 30 CFEDMO CN1C[C@@H]2CC[N@@H+](Cc3ccccc3C(C)(C)C#N)[C@@H]2C1 ZINC000590010435 348869965 /nfs/dbraw/zinc/86/99/65/348869965.db2.gz JFIKTRPACSTTLG-DOTOQJQBSA-N 1 1 283.419 2.624 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000093106413 539685306 /nfs/dbraw/zinc/68/53/06/539685306.db2.gz SKBXFZHSYVYURC-HNNXBMFYSA-N 1 1 275.392 2.846 20 30 CFEDMO CC(C)c1nnc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)[nH]1 ZINC000590779105 348947957 /nfs/dbraw/zinc/94/79/57/348947957.db2.gz QXWGEGPMEZUDAI-OAHLLOKOSA-N 1 1 295.390 2.967 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)ccn1 ZINC000590758576 348943807 /nfs/dbraw/zinc/94/38/07/348943807.db2.gz CZXQTBITJILLPE-SJORKVTESA-N 1 1 297.402 2.734 20 30 CFEDMO COc1cccc2c1C[N@H+](Cc1ccnc(C#N)c1)CC2 ZINC000590760108 348944997 /nfs/dbraw/zinc/94/49/97/348944997.db2.gz VVIVKVWLYOGOKL-UHFFFAOYSA-N 1 1 279.343 2.520 20 30 CFEDMO COc1cccc2c1C[N@@H+](Cc1ccnc(C#N)c1)CC2 ZINC000590760108 348945003 /nfs/dbraw/zinc/94/50/03/348945003.db2.gz VVIVKVWLYOGOKL-UHFFFAOYSA-N 1 1 279.343 2.520 20 30 CFEDMO CC(C)(CO)[C@@H]([NH2+]Cc1ccccc1C#N)c1cccnc1 ZINC000590374735 348897218 /nfs/dbraw/zinc/89/72/18/348897218.db2.gz GTORXOYBZYSISF-KRWDZBQOSA-N 1 1 295.386 2.803 20 30 CFEDMO CC(C)C[NH+]1CCC(Nc2nc(C#N)c(Cl)s2)CC1 ZINC000590569959 348909857 /nfs/dbraw/zinc/90/98/57/348909857.db2.gz OERRQMXCTTVNRP-UHFFFAOYSA-N 1 1 298.843 2.622 20 30 CFEDMO COCC[N@H+](Cc1ccco1)C[C@@H](C)CCC#N ZINC000590593855 348912107 /nfs/dbraw/zinc/91/21/07/348912107.db2.gz XSEKRTITORKWSK-ZDUSSCGKSA-N 1 1 250.342 2.668 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971938 348975412 /nfs/dbraw/zinc/97/54/12/348975412.db2.gz XYSOCPLURYREFF-KGLIPLIRSA-N 1 1 250.386 2.817 20 30 CFEDMO N#CC1(CC(=O)N2C[C@@H]3CCC[N@H+]3Cc3ccccc32)CC1 ZINC000590979864 348975664 /nfs/dbraw/zinc/97/56/64/348975664.db2.gz QTVWFKGTLYNCNH-HNNXBMFYSA-N 1 1 295.386 2.691 20 30 CFEDMO COCC1([N@@H+](C)CCC2(C#N)CCCCC2)CC1 ZINC000591021353 348979346 /nfs/dbraw/zinc/97/93/46/348979346.db2.gz AOUVSJZQHYLTOA-UHFFFAOYSA-N 1 1 250.386 2.961 20 30 CFEDMO COC(=O)c1cccc(C[N@H+]2CC[C@H](C3CCC3)C2)c1C#N ZINC000591063025 348983055 /nfs/dbraw/zinc/98/30/55/348983055.db2.gz GYNFXTAMLUGYBW-AWEZNQCLSA-N 1 1 298.386 2.967 20 30 CFEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591063063 348983160 /nfs/dbraw/zinc/98/31/60/348983160.db2.gz ICHVADHPTCIDHD-DLBZAZTESA-N 1 1 298.386 2.894 20 30 CFEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C2CCC2)C1 ZINC000591063063 348983162 /nfs/dbraw/zinc/98/31/62/348983162.db2.gz ICHVADHPTCIDHD-DLBZAZTESA-N 1 1 298.386 2.894 20 30 CFEDMO C[C@@H](CC#N)[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000590800584 348951896 /nfs/dbraw/zinc/95/18/96/348951896.db2.gz SVORZQGENQXDKF-VIFPVBQESA-N 1 1 256.708 2.750 20 30 CFEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000590951897 348971365 /nfs/dbraw/zinc/97/13/65/348971365.db2.gz OAFWCLNUAGTWPR-CQSZACIVSA-N 1 1 271.320 2.841 20 30 CFEDMO N#CCC[NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1 ZINC000591761015 349041769 /nfs/dbraw/zinc/04/17/69/349041769.db2.gz AURLRRNTEOQHJM-NSHDSACASA-N 1 1 283.297 2.787 20 30 CFEDMO COCC#CC[N@H+]1CCCC[C@@H]1CCC(=O)OC(C)(C)C ZINC000591849918 349050828 /nfs/dbraw/zinc/05/08/28/349050828.db2.gz YMQKESOCGZMSSP-OAHLLOKOSA-N 1 1 295.423 2.613 20 30 CFEDMO CN(C[C@@H]1CCC[N@H+]1C)c1cc(C#N)nc2ccccc21 ZINC000591464197 349025696 /nfs/dbraw/zinc/02/56/96/349025696.db2.gz IWURIZSWPPIWHB-AWEZNQCLSA-N 1 1 280.375 2.637 20 30 CFEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591581143 349033023 /nfs/dbraw/zinc/03/30/23/349033023.db2.gz LREBDWPOBADZAC-ZOBUZTSGSA-N 1 1 287.382 2.615 20 30 CFEDMO N#Cc1cnccc1C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000592068115 349078457 /nfs/dbraw/zinc/07/84/57/349078457.db2.gz GRMJHDUTNHIWQD-MRXNPFEDSA-N 1 1 263.344 2.943 20 30 CFEDMO N#Cc1cnccc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000592072797 349079951 /nfs/dbraw/zinc/07/99/51/349079951.db2.gz YNKALPXDNFLVDA-LSDHHAIUSA-N 1 1 273.405 2.813 20 30 CFEDMO N#Cc1cnccc1C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000592072797 349079952 /nfs/dbraw/zinc/07/99/52/349079952.db2.gz YNKALPXDNFLVDA-LSDHHAIUSA-N 1 1 273.405 2.813 20 30 CFEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccncc1C#N ZINC000592082824 349080665 /nfs/dbraw/zinc/08/06/65/349080665.db2.gz QBIPAIDUIFCXOO-SCLBCKFNSA-N 1 1 293.370 2.777 20 30 CFEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccncc1C#N ZINC000592082824 349080668 /nfs/dbraw/zinc/08/06/68/349080668.db2.gz QBIPAIDUIFCXOO-SCLBCKFNSA-N 1 1 293.370 2.777 20 30 CFEDMO CC(C)(O)C[N@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592097187 349082348 /nfs/dbraw/zinc/08/23/48/349082348.db2.gz FWBLPDYBUVALQG-UHFFFAOYSA-N 1 1 295.386 2.726 20 30 CFEDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccncc1C#N ZINC000592097187 349082351 /nfs/dbraw/zinc/08/23/51/349082351.db2.gz FWBLPDYBUVALQG-UHFFFAOYSA-N 1 1 295.386 2.726 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccncc1C#N)c1ccc([S@](C)=O)cc1 ZINC000592098207 349082487 /nfs/dbraw/zinc/08/24/87/349082487.db2.gz MNVQULNQZGRXPP-GTJPDFRWSA-N 1 1 299.399 2.541 20 30 CFEDMO COCC[N@@H+](Cc1ccncc1C#N)[C@H]1CC[C@H](C)C1 ZINC000592115261 349084964 /nfs/dbraw/zinc/08/49/64/349084964.db2.gz XGTUDDRZERVGQE-BBRMVZONSA-N 1 1 273.380 2.590 20 30 CFEDMO CC[N@@H+](Cc1ccncc1C#N)[C@H]1CCOC(C)(C)C1 ZINC000592122866 349086591 /nfs/dbraw/zinc/08/65/91/349086591.db2.gz RRUGJGQBRCSYGV-HNNXBMFYSA-N 1 1 273.380 2.733 20 30 CFEDMO CSC[C@@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592123128 349087057 /nfs/dbraw/zinc/08/70/57/349087057.db2.gz WMPUDMASKKUZIR-GFCCVEGCSA-N 1 1 261.394 2.528 20 30 CFEDMO CSC[C@@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592123128 349087063 /nfs/dbraw/zinc/08/70/63/349087063.db2.gz WMPUDMASKKUZIR-GFCCVEGCSA-N 1 1 261.394 2.528 20 30 CFEDMO N#Cc1cnccc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000592125330 349087901 /nfs/dbraw/zinc/08/79/01/349087901.db2.gz GKOGHDOUOCLBDR-QGZVFWFLSA-N 1 1 297.402 2.734 20 30 CFEDMO N#Cc1cnccc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000592125330 349087906 /nfs/dbraw/zinc/08/79/06/349087906.db2.gz GKOGHDOUOCLBDR-QGZVFWFLSA-N 1 1 297.402 2.734 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(C#N)c(F)c1 ZINC000414173947 233186506 /nfs/dbraw/zinc/18/65/06/233186506.db2.gz HBXYRDGENBMGMJ-MNOVXSKESA-N 1 1 272.327 2.843 20 30 CFEDMO C[C@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148249 349091638 /nfs/dbraw/zinc/09/16/38/349091638.db2.gz XAIRWFOZHWJAPK-IAQYHMDHSA-N 1 1 296.317 2.699 20 30 CFEDMO CC[N@@H+]1CC[C@@H](NCc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000592391583 349114270 /nfs/dbraw/zinc/11/42/70/349114270.db2.gz CJSDTQLDTISKLN-WMLDXEAASA-N 1 1 271.408 2.573 20 30 CFEDMO CC[N@H+]1CC[C@@H](NCc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000592391583 349114275 /nfs/dbraw/zinc/11/42/75/349114275.db2.gz CJSDTQLDTISKLN-WMLDXEAASA-N 1 1 271.408 2.573 20 30 CFEDMO CCN1CC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000592391583 349114279 /nfs/dbraw/zinc/11/42/79/349114279.db2.gz CJSDTQLDTISKLN-WMLDXEAASA-N 1 1 271.408 2.573 20 30 CFEDMO CCC[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCN(C)C1 ZINC000592521156 349131260 /nfs/dbraw/zinc/13/12/60/349131260.db2.gz VMUYNUQIEJNYNV-GFCCVEGCSA-N 1 1 263.410 2.536 20 30 CFEDMO CCCN(Cc1ccc(C#N)s1)[C@@H]1CC[N@H+](C)C1 ZINC000592521156 349131266 /nfs/dbraw/zinc/13/12/66/349131266.db2.gz VMUYNUQIEJNYNV-GFCCVEGCSA-N 1 1 263.410 2.536 20 30 CFEDMO CCCN(Cc1ccc(C#N)s1)[C@@H]1CC[N@@H+](C)C1 ZINC000592521156 349131267 /nfs/dbraw/zinc/13/12/67/349131267.db2.gz VMUYNUQIEJNYNV-GFCCVEGCSA-N 1 1 263.410 2.536 20 30 CFEDMO Cc1cc2cc(C[N@H+]3CC[C@@](O)(CC#N)C3)oc2cc1C ZINC000592522677 349132223 /nfs/dbraw/zinc/13/22/23/349132223.db2.gz POFXIRPSBDNDSR-KRWDZBQOSA-N 1 1 284.359 2.900 20 30 CFEDMO N#CC[C@]1(O)CC[N@@H+](Cc2cccc(-c3cccnc3)c2)C1 ZINC000592521928 349132728 /nfs/dbraw/zinc/13/27/28/349132728.db2.gz DXWRELYQRUOFOR-SFHVURJKSA-N 1 1 293.370 2.599 20 30 CFEDMO CCCN(Cc1ccc(C#N)cc1F)[C@@H]1CC[N@@H+](C)C1 ZINC000592521213 349132810 /nfs/dbraw/zinc/13/28/10/349132810.db2.gz WXAZOJRFZCODOF-OAHLLOKOSA-N 1 1 275.371 2.613 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000593021316 349188727 /nfs/dbraw/zinc/18/87/27/349188727.db2.gz XFCGHMXTUILNEE-NSHDSACASA-N 1 1 281.262 2.553 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000593021316 349188731 /nfs/dbraw/zinc/18/87/31/349188731.db2.gz XFCGHMXTUILNEE-NSHDSACASA-N 1 1 281.262 2.553 20 30 CFEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N(CC#N)C1CCCC1 ZINC000592767183 349165009 /nfs/dbraw/zinc/16/50/09/349165009.db2.gz PVULTWQTOLFFSH-CYBMUJFWSA-N 1 1 288.395 2.691 20 30 CFEDMO C[C@@H]1[C@H](C(=O)N[C@H](CCCC#N)c2ccccc2)CC[N@H+]1C ZINC000592800580 349167179 /nfs/dbraw/zinc/16/71/79/349167179.db2.gz IFWBZVWIKBQIEQ-DJIMGWMZSA-N 1 1 299.418 2.878 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000593036228 349191426 /nfs/dbraw/zinc/19/14/26/349191426.db2.gz QVMPRQFXECZWTR-WOPDTQHZSA-N 1 1 273.336 2.943 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1F ZINC000593115269 349212168 /nfs/dbraw/zinc/21/21/68/349212168.db2.gz BVLCSTQXGBDRJY-ZDUSSCGKSA-N 1 1 266.266 2.928 20 30 CFEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000593114581 349212369 /nfs/dbraw/zinc/21/23/69/349212369.db2.gz DDHVKSBWHQTNLI-AWEZNQCLSA-N 1 1 278.302 2.668 20 30 CFEDMO CC(C)OC1CC([N@@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000593124924 349216218 /nfs/dbraw/zinc/21/62/18/349216218.db2.gz LLVLZAYRVSOYIB-UHFFFAOYSA-N 1 1 256.349 2.830 20 30 CFEDMO CC(C)OC1CC([N@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000593124924 349216220 /nfs/dbraw/zinc/21/62/20/349216220.db2.gz LLVLZAYRVSOYIB-UHFFFAOYSA-N 1 1 256.349 2.830 20 30 CFEDMO C[C@@H]1C[C@H](C[N@@H+]2Cc3cccc(C#N)c3C2)CCO1 ZINC000593127877 349217297 /nfs/dbraw/zinc/21/72/97/349217297.db2.gz WLMUDEOQJDMMAN-CHWSQXEVSA-N 1 1 256.349 2.689 20 30 CFEDMO C[C@@H]1C[C@H](C[N@H+]2Cc3cccc(C#N)c3C2)CCO1 ZINC000593127877 349217301 /nfs/dbraw/zinc/21/73/01/349217301.db2.gz WLMUDEOQJDMMAN-CHWSQXEVSA-N 1 1 256.349 2.689 20 30 CFEDMO Cc1cc(NC(=O)NCC2(C#N)CCCC2)cn2cc[nH+]c12 ZINC000593217841 349229432 /nfs/dbraw/zinc/22/94/32/349229432.db2.gz MFUWAIQMOJWUET-UHFFFAOYSA-N 1 1 297.362 2.848 20 30 CFEDMO COc1ccc(C2CC[NH+](CC3(C#N)CC3)CC2)nc1 ZINC000593041990 349193446 /nfs/dbraw/zinc/19/34/46/349193446.db2.gz UVHKHUFTAAJQTA-UHFFFAOYSA-N 1 1 271.364 2.573 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593047724 349193543 /nfs/dbraw/zinc/19/35/43/349193543.db2.gz BJIUEHIXTGFRGO-MGPQQGTHSA-N 1 1 283.412 2.508 20 30 CFEDMO CC#CCC[N@H+]1[C@@H](C)CC[C@H]1C(=O)OC(C)(C)C ZINC000593049639 349194137 /nfs/dbraw/zinc/19/41/37/349194137.db2.gz WHCUAUYHIYKWRX-STQMWFEESA-N 1 1 251.370 2.594 20 30 CFEDMO CCn1cc(C[N@@H+](CCCSCC#N)C(C)C)cn1 ZINC000593080306 349204092 /nfs/dbraw/zinc/20/40/92/349204092.db2.gz LYUIRAWVKGIYNC-UHFFFAOYSA-N 1 1 280.441 2.760 20 30 CFEDMO CC[C@@H](C#N)C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000593604206 349297573 /nfs/dbraw/zinc/29/75/73/349297573.db2.gz ISAOLYNTVDXUTQ-DLBZAZTESA-N 1 1 299.418 2.659 20 30 CFEDMO CC[C@H](C#N)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000593457082 349274893 /nfs/dbraw/zinc/27/48/93/349274893.db2.gz GBYQZBIAOJIMII-MRXNPFEDSA-N 1 1 287.407 2.693 20 30 CFEDMO CC[C@@H](C#N)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000593506241 349286422 /nfs/dbraw/zinc/28/64/22/349286422.db2.gz QDCTUGGCGKRSMY-OCCSQVGLSA-N 1 1 296.374 2.908 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593899624 349333838 /nfs/dbraw/zinc/33/38/38/349333838.db2.gz FEWVDLGABQMKMD-INIZCTEOSA-N 1 1 297.402 2.665 20 30 CFEDMO COc1ccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)cc1 ZINC000593942488 349336973 /nfs/dbraw/zinc/33/69/73/349336973.db2.gz IURIWHASEZYRMG-ZDUSSCGKSA-N 1 1 286.335 2.829 20 30 CFEDMO COc1cccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)c1 ZINC000593944676 349337836 /nfs/dbraw/zinc/33/78/36/349337836.db2.gz ZPLOAPQARFPJMF-ZDUSSCGKSA-N 1 1 286.335 2.829 20 30 CFEDMO C=CCCn1cc(C[N@@H+](C)[C@H]2CC[C@H](SCC)C2)nn1 ZINC000593959720 349340208 /nfs/dbraw/zinc/34/02/08/349340208.db2.gz RANGKQXTUQNZBC-GJZGRUSLSA-N 1 1 294.468 2.960 20 30 CFEDMO C=CCCn1cc(C[N@H+](C)[C@H]2CC[C@H](SCC)C2)nn1 ZINC000593959720 349340209 /nfs/dbraw/zinc/34/02/09/349340209.db2.gz RANGKQXTUQNZBC-GJZGRUSLSA-N 1 1 294.468 2.960 20 30 CFEDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000593965319 349341597 /nfs/dbraw/zinc/34/15/97/349341597.db2.gz DEGGKHDEEMEJFP-HOTGVXAUSA-N 1 1 287.407 2.979 20 30 CFEDMO Cn1c2ccccc2cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1=O ZINC000593976873 349344390 /nfs/dbraw/zinc/34/43/90/349344390.db2.gz LDGUHBAUKXQBAL-GOSISDBHSA-N 1 1 295.386 2.664 20 30 CFEDMO Cn1c2ccccc2cc(C[N@H+]2CCC[C@](C)(C#N)C2)c1=O ZINC000593976873 349344392 /nfs/dbraw/zinc/34/43/92/349344392.db2.gz LDGUHBAUKXQBAL-GOSISDBHSA-N 1 1 295.386 2.664 20 30 CFEDMO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000594010037 349352930 /nfs/dbraw/zinc/35/29/30/349352930.db2.gz WNXBIVWYLUIPAE-GDBMZVCRSA-N 1 1 287.407 2.705 20 30 CFEDMO COc1cccc(C[NH2+]CC2(C#N)CCCC2)c1OC ZINC000593649486 349303654 /nfs/dbraw/zinc/30/36/54/349303654.db2.gz JGTLHSYZAQECDZ-UHFFFAOYSA-N 1 1 274.364 2.877 20 30 CFEDMO N#CC1(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CCCC1 ZINC000593650104 349304383 /nfs/dbraw/zinc/30/43/83/349304383.db2.gz PTXSQLNVGPBDGR-UHFFFAOYSA-N 1 1 297.402 2.752 20 30 CFEDMO C[C@@H]1C[C@@H](NC(=O)CCCCC#N)C[N@H+]1Cc1ccccc1 ZINC000594317707 349406559 /nfs/dbraw/zinc/40/65/59/349406559.db2.gz FFFLGBKDTGXTLI-NVXWUHKLSA-N 1 1 299.418 2.850 20 30 CFEDMO N#Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000594059045 349367359 /nfs/dbraw/zinc/36/73/59/349367359.db2.gz ONDFKIQSEYBMPH-CVEARBPZSA-N 1 1 298.390 2.697 20 30 CFEDMO C[C@H](CC#N)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000596972010 350009830 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C=C(C)C[C@@H]([NH2+]C1CCC(C(F)F)CC1)C(=O)OC ZINC000602732964 351005712 /nfs/dbraw/zinc/00/57/12/351005712.db2.gz FNAOGAKILKJSKX-HTAVTVPLSA-N 1 1 275.339 2.908 20 30 CFEDMO C=C(C)C[C@H]([NH2+]C1CCC(C(F)F)CC1)C(=O)OC ZINC000602732965 351005782 /nfs/dbraw/zinc/00/57/82/351005782.db2.gz FNAOGAKILKJSKX-MCIGGMRASA-N 1 1 275.339 2.908 20 30 CFEDMO CC[C@@H](CC#N)[NH2+][C@H]1CCc2cc(OC)c(OC)cc21 ZINC000602611443 350945378 /nfs/dbraw/zinc/94/53/78/350945378.db2.gz LOMJIKFDEMCWSC-JSGCOSHPSA-N 1 1 274.364 2.973 20 30 CFEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602613920 350946145 /nfs/dbraw/zinc/94/61/45/350946145.db2.gz RKRMEKTWISLZFW-DYVFJYSZSA-N 1 1 278.359 2.931 20 30 CFEDMO C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602613920 350946149 /nfs/dbraw/zinc/94/61/49/350946149.db2.gz RKRMEKTWISLZFW-DYVFJYSZSA-N 1 1 278.359 2.931 20 30 CFEDMO CCC1(CC)C[N@@H+](C[C@H](C)CCC#N)CC[S@@]1=O ZINC000602619515 350949162 /nfs/dbraw/zinc/94/91/62/350949162.db2.gz OMTVCMWSLZSNEK-ACJLOTCBSA-N 1 1 270.442 2.549 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000602620720 350950005 /nfs/dbraw/zinc/95/00/05/350950005.db2.gz FDFRCJVZRHICGC-ZFWWWQNUSA-N 1 1 250.386 2.817 20 30 CFEDMO N#CC1CCC([NH2+]C2CC(N3CCCCC3)C2)CC1 ZINC000602637917 350956574 /nfs/dbraw/zinc/95/65/74/350956574.db2.gz JULJJYOSXZCINK-UHFFFAOYSA-N 1 1 261.413 2.675 20 30 CFEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602638516 350957337 /nfs/dbraw/zinc/95/73/37/350957337.db2.gz UQWJBWGIWNYSLD-HOCLYGCPSA-N 1 1 280.412 2.837 20 30 CFEDMO CCOc1ccccc1N1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602761053 351015852 /nfs/dbraw/zinc/01/58/52/351015852.db2.gz VJTWPTBCOGBLOP-UHFFFAOYSA-N 1 1 299.418 2.901 20 30 CFEDMO N#CCC1(C[NH+]2CCN(Cc3ccsc3)CC2)CC1 ZINC000602760630 351016201 /nfs/dbraw/zinc/01/62/01/351016201.db2.gz YVELMYOEVUTIAM-UHFFFAOYSA-N 1 1 275.421 2.560 20 30 CFEDMO Cc1cc(C2CC[NH+](CC3(CC#N)CC3)CC2)n[nH]1 ZINC000602795669 351028367 /nfs/dbraw/zinc/02/83/67/351028367.db2.gz CCTLACDDBXFMCZ-UHFFFAOYSA-N 1 1 258.369 2.591 20 30 CFEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC2(CC#N)CC2)C1 ZINC000602817463 351036052 /nfs/dbraw/zinc/03/60/52/351036052.db2.gz HYABIVXXZSDSAV-INIZCTEOSA-N 1 1 278.396 2.591 20 30 CFEDMO C=C(C)[C@@H]([NH2+]CCN(C#N)CC)c1ccc(F)c(F)c1 ZINC000602819761 351036678 /nfs/dbraw/zinc/03/66/78/351036678.db2.gz RCBGVFOOTNRQFN-OAHLLOKOSA-N 1 1 279.334 2.975 20 30 CFEDMO CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CC1(CC#N)CC1 ZINC000602818679 351036991 /nfs/dbraw/zinc/03/69/91/351036991.db2.gz MZYUNVVRIBMDAQ-INIZCTEOSA-N 1 1 278.396 2.878 20 30 CFEDMO Cc1ccc2c(c1)C[N@@H+](CC1(CC#N)CC1)CCO2 ZINC000602827467 351038724 /nfs/dbraw/zinc/03/87/24/351038724.db2.gz DKWWVFPKQSERCB-UHFFFAOYSA-N 1 1 256.349 2.883 20 30 CFEDMO Cc1ccc2c(c1)C[N@H+](CC1(CC#N)CC1)CCO2 ZINC000602827467 351038729 /nfs/dbraw/zinc/03/87/29/351038729.db2.gz DKWWVFPKQSERCB-UHFFFAOYSA-N 1 1 256.349 2.883 20 30 CFEDMO C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC2(CC#N)CC2)C1 ZINC000602847123 351044092 /nfs/dbraw/zinc/04/40/92/351044092.db2.gz SDXYKFUFLLSGIA-UONOGXRCSA-N 1 1 292.423 2.980 20 30 CFEDMO C[C@@H]1C[N@@H+]([C@@H]2C=CCCCCC2)C[C@H](C)N1CC#N ZINC000602851976 351044994 /nfs/dbraw/zinc/04/49/94/351044994.db2.gz ZJCLOJUBSNJUGK-OWCLPIDISA-N 1 1 261.413 2.793 20 30 CFEDMO C[C@@H]1C[N@H+](CCC2=CCCCC2)C[C@H](C)N1CC#N ZINC000602851918 351045291 /nfs/dbraw/zinc/04/52/91/351045291.db2.gz YIMDCPZPKGVJCZ-GASCZTMLSA-N 1 1 261.413 2.795 20 30 CFEDMO C[C@H](c1ccccc1F)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602854535 351047509 /nfs/dbraw/zinc/04/75/09/351047509.db2.gz CNFHBGYJXWZIKV-MGPQQGTHSA-N 1 1 275.371 2.805 20 30 CFEDMO C[C@@H](CC#N)[NH2+]CCOc1ccc(F)cc1Cl ZINC000602867453 351051723 /nfs/dbraw/zinc/05/17/23/351051723.db2.gz CDKCEIMUCOPFHD-VIFPVBQESA-N 1 1 256.708 2.750 20 30 CFEDMO Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C)CC#N)cc2)n1 ZINC000602866923 351052119 /nfs/dbraw/zinc/05/21/19/351052119.db2.gz AAZATVUXRKFZOO-GFCCVEGCSA-N 1 1 268.364 2.881 20 30 CFEDMO CC(C)OC(=O)c1ccc(C[NH2+][C@H](C)CC#N)cc1 ZINC000602870668 351053258 /nfs/dbraw/zinc/05/32/58/351053258.db2.gz VGAUKQBEIZFDBX-GFCCVEGCSA-N 1 1 260.337 2.644 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000602879836 351056034 /nfs/dbraw/zinc/05/60/34/351056034.db2.gz GDTGYYMRYUGQHF-HNNXBMFYSA-N 1 1 252.321 2.618 20 30 CFEDMO Cc1cnc(C[NH+]2CCC(c3ccc(C#N)cn3)CC2)o1 ZINC000602907730 351063184 /nfs/dbraw/zinc/06/31/84/351063184.db2.gz UJUNWUQFZZVCHQ-UHFFFAOYSA-N 1 1 282.347 2.629 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000602750768 351014032 /nfs/dbraw/zinc/01/40/32/351014032.db2.gz CCBBWGVXJKKZJU-QWHCGFSZSA-N 1 1 271.364 2.769 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1Cc2ccccc2NC(=O)[C@H]1C ZINC000602750768 351014035 /nfs/dbraw/zinc/01/40/35/351014035.db2.gz CCBBWGVXJKKZJU-QWHCGFSZSA-N 1 1 271.364 2.769 20 30 CFEDMO CN(C)c1cc(NC(=O)NCC(C)(C)CCC#N)cc[nH+]1 ZINC000603143202 351110752 /nfs/dbraw/zinc/11/07/52/351110752.db2.gz QXUQMNXUQCNODM-UHFFFAOYSA-N 1 1 289.383 2.599 20 30 CFEDMO COC(=O)[C@@]1(C)C[N@@H+](CCC2(C#N)CCCCC2)C[C@@H]1C ZINC000602928882 351069002 /nfs/dbraw/zinc/06/90/02/351069002.db2.gz DPTXKYCCBWDUEW-HOCLYGCPSA-N 1 1 292.423 2.982 20 30 CFEDMO N#Cc1cccc(NC(=O)C[NH+]2CCC(CCF)CC2)c1 ZINC000602951617 351071679 /nfs/dbraw/zinc/07/16/79/351071679.db2.gz VQHBGDSBBIEMDR-UHFFFAOYSA-N 1 1 289.354 2.568 20 30 CFEDMO C=CCCC[N@@H+]1CC[C@](COC)(C(=O)OC(C)(C)C)C1 ZINC000602960626 351072675 /nfs/dbraw/zinc/07/26/75/351072675.db2.gz GYJUTTRABPRWRR-INIZCTEOSA-N 1 1 283.412 2.633 20 30 CFEDMO C[N@H+](CCOc1ccccc1F)[C@H]1CCC[C@@H]1C#N ZINC000602973466 351073906 /nfs/dbraw/zinc/07/39/06/351073906.db2.gz ANOMXISYZYJKLS-OCCSQVGLSA-N 1 1 262.328 2.829 20 30 CFEDMO C[N@@H+](CCOc1ccccc1F)[C@H]1CCC[C@@H]1C#N ZINC000602973466 351073907 /nfs/dbraw/zinc/07/39/07/351073907.db2.gz ANOMXISYZYJKLS-OCCSQVGLSA-N 1 1 262.328 2.829 20 30 CFEDMO C[N@@H+](CCC(=O)Nc1ccccc1F)[C@H]1CCC[C@H]1C#N ZINC000602975719 351077199 /nfs/dbraw/zinc/07/71/99/351077199.db2.gz GIXGBKSQASFMBX-WFASDCNBSA-N 1 1 289.354 2.778 20 30 CFEDMO C[N@H+](CCOc1ccccc1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602976930 351077708 /nfs/dbraw/zinc/07/77/08/351077708.db2.gz VKRHKQAZNVFTTJ-UKRRQHHQSA-N 1 1 269.348 2.561 20 30 CFEDMO C[N@@H+](CCOc1ccccc1C#N)[C@@H]1CCC[C@@H]1C#N ZINC000602976930 351077716 /nfs/dbraw/zinc/07/77/16/351077716.db2.gz VKRHKQAZNVFTTJ-UKRRQHHQSA-N 1 1 269.348 2.561 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602979870 351080925 /nfs/dbraw/zinc/08/09/25/351080925.db2.gz ITAPXQPJZRGLLU-GOEBONIOSA-N 1 1 253.349 2.991 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602979870 351080932 /nfs/dbraw/zinc/08/09/32/351080932.db2.gz ITAPXQPJZRGLLU-GOEBONIOSA-N 1 1 253.349 2.991 20 30 CFEDMO C[N@@H+](CCCC1CCOCC1)[C@H]1CCC[C@H]1C#N ZINC000602979922 351081139 /nfs/dbraw/zinc/08/11/39/351081139.db2.gz JEKJRLINGBORCC-GJZGRUSLSA-N 1 1 250.386 2.817 20 30 CFEDMO C[N@@H+](C[C@H](O)CC1CCCC1)[C@H]1CCC[C@H]1C#N ZINC000602979742 351081418 /nfs/dbraw/zinc/08/14/18/351081418.db2.gz HSZNHWOABSNYLH-ZNMIVQPWSA-N 1 1 250.386 2.552 20 30 CFEDMO Cn1c2ccccc2cc(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)c1=O ZINC000602982310 351083219 /nfs/dbraw/zinc/08/32/19/351083219.db2.gz QMHPUJQVNVOWHF-ZBFHGGJFSA-N 1 1 295.386 2.663 20 30 CFEDMO Cn1c2ccccc2cc(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)c1=O ZINC000602982310 351083223 /nfs/dbraw/zinc/08/32/23/351083223.db2.gz QMHPUJQVNVOWHF-ZBFHGGJFSA-N 1 1 295.386 2.663 20 30 CFEDMO CC(C)[N@H+]1CCCC[C@@H]1CN(C)[C@H]1CCC[C@H]1C#N ZINC000602982630 351084603 /nfs/dbraw/zinc/08/46/03/351084603.db2.gz VRXIDWYHIQQBDC-XHSDSOJGSA-N 1 1 263.429 2.873 20 30 CFEDMO Cc1cc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)ccc1C#N ZINC000602997969 351088852 /nfs/dbraw/zinc/08/88/52/351088852.db2.gz UZOQJEGTBQBKCV-KURKYZTESA-N 1 1 284.403 2.992 20 30 CFEDMO COCc1cc(C#N)ccc1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000603384424 351151825 /nfs/dbraw/zinc/15/18/25/351151825.db2.gz QQBLASBTIIJSSX-GOSISDBHSA-N 1 1 299.418 2.627 20 30 CFEDMO Cc1nc(C#N)n(CC[N@H+](C)Cc2ccccc2)c1C ZINC000603425218 351161721 /nfs/dbraw/zinc/16/17/21/351161721.db2.gz BTYZGXSRYNUCHK-UHFFFAOYSA-N 1 1 268.364 2.504 20 30 CFEDMO C[C@@H]1CC[C@@H](CN)[N@@H+](CCc2ccc(C#N)cc2)[C@@H]1C ZINC000603433425 351164105 /nfs/dbraw/zinc/16/41/05/351164105.db2.gz NGXVFHUZCDNLSE-CPUCHLNUSA-N 1 1 271.408 2.548 20 30 CFEDMO C[C@@H]1CC[C@@H](C[NH3+])N(CCc2ccc(C#N)cc2)[C@@H]1C ZINC000603433425 351164109 /nfs/dbraw/zinc/16/41/09/351164109.db2.gz NGXVFHUZCDNLSE-CPUCHLNUSA-N 1 1 271.408 2.548 20 30 CFEDMO C=CCCCN(C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000605845971 351257095 /nfs/dbraw/zinc/25/70/95/351257095.db2.gz AGSXMWZJGBRSEQ-LSDHHAIUSA-N 1 1 281.444 2.857 20 30 CFEDMO N#Cc1c(F)cccc1N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000609384402 351500509 /nfs/dbraw/zinc/50/05/09/351500509.db2.gz SUCJXUVFXBAKTE-GFCCVEGCSA-N 1 1 259.328 2.594 20 30 CFEDMO Cn1cc[nH+]c1[C@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000373054095 282760100 /nfs/dbraw/zinc/76/01/00/282760100.db2.gz ASIHFTFSSFWQPJ-AWEZNQCLSA-N 1 1 266.348 2.676 20 30 CFEDMO Cc1nccc([C@H]2CCC[N@@H+](CCCCC#N)C2)n1 ZINC000608832658 351478551 /nfs/dbraw/zinc/47/85/51/351478551.db2.gz GURJQGKEPPOEES-AWEZNQCLSA-N 1 1 258.369 2.658 20 30 CFEDMO Cc1cccc(NCCNc2nc3c(cc2C#N)CCC3)[nH+]1 ZINC000609626272 351513233 /nfs/dbraw/zinc/51/32/33/351513233.db2.gz NCLKLRUNEMDVRG-UHFFFAOYSA-N 1 1 293.374 2.669 20 30 CFEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000610001830 351530554 /nfs/dbraw/zinc/53/05/54/351530554.db2.gz CMWHWOPCEAJWDU-LXZKKBNFSA-N 1 1 291.439 2.695 20 30 CFEDMO N#Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000610273830 351545991 /nfs/dbraw/zinc/54/59/91/351545991.db2.gz PJNKULMRCPNVBV-DZGCQCFKSA-N 1 1 292.386 2.567 20 30 CFEDMO CC1(C)C[N@H+](CCOc2ccccc2C#N)C(C)(C)CO1 ZINC000609671905 351514998 /nfs/dbraw/zinc/51/49/98/351514998.db2.gz OWBQHDIDRUGGIE-UHFFFAOYSA-N 1 1 288.391 2.826 20 30 CFEDMO CC1(C)C[N@@H+](CCOc2ccccc2C#N)C(C)(C)CO1 ZINC000609671905 351514999 /nfs/dbraw/zinc/51/49/99/351514999.db2.gz OWBQHDIDRUGGIE-UHFFFAOYSA-N 1 1 288.391 2.826 20 30 CFEDMO Cc1nccc([C@@H]2CCC[N@@H+](CCCSCC#N)C2)n1 ZINC000610409715 351563381 /nfs/dbraw/zinc/56/33/81/351563381.db2.gz WQVDIOPYUCIYOA-CQSZACIVSA-N 1 1 290.436 2.611 20 30 CFEDMO CC[N@H+]1CCC[C@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC000329962117 539818185 /nfs/dbraw/zinc/81/81/85/539818185.db2.gz SNZTVAKYJVMROM-LBPRGKRZSA-N 1 1 287.363 2.925 20 30 CFEDMO N#Cc1ccc(-c2nnc(C[N@@H+]3C[C@H]4CCC[C@H]43)o2)cc1 ZINC000610762651 351605358 /nfs/dbraw/zinc/60/53/58/351605358.db2.gz KGERPZYUJHEOHX-ZIAGYGMSSA-N 1 1 280.331 2.593 20 30 CFEDMO N#Cc1ccc(-c2nnc(C[N@H+]3C[C@H]4CCC[C@H]43)o2)cc1 ZINC000610762651 351605361 /nfs/dbraw/zinc/60/53/61/351605361.db2.gz KGERPZYUJHEOHX-ZIAGYGMSSA-N 1 1 280.331 2.593 20 30 CFEDMO CO[C@@H](C[NH2+][C@H](C)CC#N)c1ccc(Cl)cc1 ZINC000610342677 351555986 /nfs/dbraw/zinc/55/59/86/351555986.db2.gz WSFMVHYUGQQHMR-MFKMUULPSA-N 1 1 252.745 2.919 20 30 CFEDMO N#Cc1csc(C[N@@H+]2CCc3ccc(O)cc3CC2)c1 ZINC000611266580 351661482 /nfs/dbraw/zinc/66/14/82/351661482.db2.gz DWPLVAGQYMWJHE-UHFFFAOYSA-N 1 1 284.384 2.926 20 30 CFEDMO Cc1cn(CC(=O)Nc2cc(Cl)ccc2C#N)c(C)[nH+]1 ZINC000611164984 351645994 /nfs/dbraw/zinc/64/59/94/351645994.db2.gz LKUXHUNFECDDIN-UHFFFAOYSA-N 1 1 288.738 2.664 20 30 CFEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180463 351648298 /nfs/dbraw/zinc/64/82/98/351648298.db2.gz XXCXVSWDXBDCPX-LBPRGKRZSA-N 1 1 296.317 2.533 20 30 CFEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611180039 351648800 /nfs/dbraw/zinc/64/88/00/351648800.db2.gz QCBOASXWVLTFDK-GFCCVEGCSA-N 1 1 266.291 2.524 20 30 CFEDMO CCC#C[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000611266330 351660191 /nfs/dbraw/zinc/66/01/91/351660191.db2.gz IFSMSACCAGKUQJ-CQSZACIVSA-N 1 1 287.363 2.519 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)s1 ZINC000611268117 351660681 /nfs/dbraw/zinc/66/06/81/351660681.db2.gz OOSNXYFNUUAZND-GFCCVEGCSA-N 1 1 272.377 2.653 20 30 CFEDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000610993090 351629825 /nfs/dbraw/zinc/62/98/25/351629825.db2.gz CIADTLFFQWNDQF-OAHLLOKOSA-N 1 1 293.370 2.951 20 30 CFEDMO COc1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1C#N ZINC000610992575 351630106 /nfs/dbraw/zinc/63/01/06/351630106.db2.gz RURUXFNNHBAFCN-INIZCTEOSA-N 1 1 296.374 2.600 20 30 CFEDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610993932 351631108 /nfs/dbraw/zinc/63/11/08/351631108.db2.gz HZRHSALJIKPYPP-INIZCTEOSA-N 1 1 266.348 2.629 20 30 CFEDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993932 351631110 /nfs/dbraw/zinc/63/11/10/351631110.db2.gz HZRHSALJIKPYPP-INIZCTEOSA-N 1 1 266.348 2.629 20 30 CFEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610993944 351631128 /nfs/dbraw/zinc/63/11/28/351631128.db2.gz IJMPKXNDORYBAM-ZDUSSCGKSA-N 1 1 281.359 2.722 20 30 CFEDMO CCC[N@H+](Cc1ccnc(C#N)c1)C[C@@H]1CCCCO1 ZINC000610993304 351631219 /nfs/dbraw/zinc/63/12/19/351631219.db2.gz KNDDZFRLNVVXML-INIZCTEOSA-N 1 1 273.380 2.734 20 30 CFEDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000610993934 351631379 /nfs/dbraw/zinc/63/13/79/351631379.db2.gz HZRHSALJIKPYPP-MRXNPFEDSA-N 1 1 266.348 2.629 20 30 CFEDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000610993934 351631381 /nfs/dbraw/zinc/63/13/81/351631381.db2.gz HZRHSALJIKPYPP-MRXNPFEDSA-N 1 1 266.348 2.629 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCS[C@@H]3CCCC[C@@H]32)ccn1 ZINC000610994514 351631461 /nfs/dbraw/zinc/63/14/61/351631461.db2.gz IPQHPSSTFFGYFN-LSDHHAIUSA-N 1 1 273.405 2.813 20 30 CFEDMO CC(C)=CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000611552994 351707911 /nfs/dbraw/zinc/70/79/11/351707911.db2.gz NZLPPAYPVGOIJN-QGZVFWFLSA-N 1 1 287.382 2.974 20 30 CFEDMO CN1CCC[C@@H](C[NH2+][C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611392895 351680284 /nfs/dbraw/zinc/68/02/84/351680284.db2.gz UCLQVXWFEKZAHE-YJBOKZPZSA-N 1 1 283.419 2.867 20 30 CFEDMO C[C@@H]1CC[N@H+](CCN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393406 351681210 /nfs/dbraw/zinc/68/12/10/351681210.db2.gz FJZGIZTYUJMMLT-KDOFPFPSSA-N 1 1 283.419 2.867 20 30 CFEDMO C[C@@H]1CC[N@@H+](CCN[C@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393406 351681213 /nfs/dbraw/zinc/68/12/13/351681213.db2.gz FJZGIZTYUJMMLT-KDOFPFPSSA-N 1 1 283.419 2.867 20 30 CFEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000611393975 351681365 /nfs/dbraw/zinc/68/13/65/351681365.db2.gz VVPAOHAGYYIVGQ-DOTOQJQBSA-N 1 1 292.386 2.806 20 30 CFEDMO COC(=O)C(C)(C)[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1 ZINC000611432984 351688964 /nfs/dbraw/zinc/68/89/64/351688964.db2.gz HTHJBNBGOTXPMK-AWEZNQCLSA-N 1 1 286.375 2.820 20 30 CFEDMO CCOC(=O)CC[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000611462725 351693563 /nfs/dbraw/zinc/69/35/63/351693563.db2.gz AUIUYHQZEICJFF-CQSZACIVSA-N 1 1 280.412 2.982 20 30 CFEDMO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611502548 351700464 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C=CC[N@H+](Cc1cc(C(=O)OC)sc1C)C1CC1 ZINC000271485824 191168137 /nfs/dbraw/zinc/16/81/37/191168137.db2.gz TVAVWGNGMAPWHU-UHFFFAOYSA-N 1 1 265.378 2.994 20 30 CFEDMO C#CC[C@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000271534318 191198585 /nfs/dbraw/zinc/19/85/85/191198585.db2.gz QBZVREXUXQPJLI-HFTRVMKXSA-N 1 1 268.404 2.966 20 30 CFEDMO C#CC[C@H](N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000271534318 191198588 /nfs/dbraw/zinc/19/85/88/191198588.db2.gz QBZVREXUXQPJLI-HFTRVMKXSA-N 1 1 268.404 2.966 20 30 CFEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCC1 ZINC000617008491 352462726 /nfs/dbraw/zinc/46/27/26/352462726.db2.gz HLWIYHKGWZOMEW-ZDUSSCGKSA-N 1 1 264.413 2.722 20 30 CFEDMO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000617009350 352463257 /nfs/dbraw/zinc/46/32/57/352463257.db2.gz XJDJYMKZCFMVAQ-IUODEOHRSA-N 1 1 252.402 2.578 20 30 CFEDMO CCn1cc([C@@H](C)[NH2+]Cc2cc(C#N)ccc2F)cn1 ZINC000271558071 191210266 /nfs/dbraw/zinc/21/02/66/191210266.db2.gz 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C=C[C@@H](Nc1cccc2c1C[N@@H+](CCCC)C2)C(=O)OC ZINC000619734390 353061552 /nfs/dbraw/zinc/06/15/52/353061552.db2.gz HGCJKFNRESZDLV-OAHLLOKOSA-N 1 1 288.391 2.942 20 30 CFEDMO CC1(C)C[N@@H+](CCCC2(C#N)CCOCC2)C(C)(C)CO1 ZINC000619620472 353041095 /nfs/dbraw/zinc/04/10/95/353041095.db2.gz XTLKXTOZKIVXOQ-UHFFFAOYSA-N 1 1 294.439 2.976 20 30 CFEDMO C#CCOc1ccc([C@H](C)NCC(C)(C)[NH+](C)C)cc1 ZINC000152604444 188031001 /nfs/dbraw/zinc/03/10/01/188031001.db2.gz RBYJHRJIKMGRDW-AWEZNQCLSA-N 1 1 274.408 2.689 20 30 CFEDMO C=CC[N@H+](C)Cc1ccc(OC)cc1OC(F)F ZINC000154773691 188160550 /nfs/dbraw/zinc/16/05/50/188160550.db2.gz IEKSNWKEJHNJHL-UHFFFAOYSA-N 1 1 257.280 2.914 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](Nc2ccccc2)C1 ZINC000154893285 188168196 /nfs/dbraw/zinc/16/81/96/188168196.db2.gz LKHCSAAJOVZVOK-DLBZAZTESA-N 1 1 274.408 2.890 20 30 CFEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)NCc1ccccc1OC ZINC000155138630 188185948 /nfs/dbraw/zinc/18/59/48/188185948.db2.gz GCHMSWUOSHMWRF-AWEZNQCLSA-N 1 1 290.407 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N#CC1(CC[N@H+]2CCc3n[nH]cc3C2)CCCCC1 ZINC000334556856 379520772 /nfs/dbraw/zinc/52/07/72/379520772.db2.gz WQTVMBJFKAHMKO-UHFFFAOYSA-N 1 1 258.369 2.632 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CC(C)(C)O1 ZINC000334589313 379583379 /nfs/dbraw/zinc/58/33/79/379583379.db2.gz RVYDMABPNYJPHD-ZDUSSCGKSA-N 1 1 258.365 2.752 20 30 CFEDMO N#Cc1cccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000172419589 379565501 /nfs/dbraw/zinc/56/55/01/379565501.db2.gz WOXJZXOIHPGJKL-UHFFFAOYSA-N 1 1 297.402 2.649 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000172662034 379617736 /nfs/dbraw/zinc/61/77/36/379617736.db2.gz BVOIDHPYXOMWED-UHFFFAOYSA-N 1 1 294.782 2.795 20 30 CFEDMO CC#CC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCOCC2)C1 ZINC000334636699 379676810 /nfs/dbraw/zinc/67/68/10/379676810.db2.gz FFKWMNKUXSOWOX-GFCCVEGCSA-N 1 1 275.314 2.691 20 30 CFEDMO C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(C#N)c(F)c1 ZINC000335727691 379792902 /nfs/dbraw/zinc/79/29/02/379792902.db2.gz GSSAURHOBBIDLE-ZWNOBZJWSA-N 1 1 284.338 2.629 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2ccnc(N3CCCCC3)c2)o1 ZINC000174277144 379857987 /nfs/dbraw/zinc/85/79/87/379857987.db2.gz KAVKVOMKALEDLQ-UHFFFAOYSA-N 1 1 296.374 2.826 20 30 CFEDMO Cn1cc[nH+]c1[C@H]1CCN(c2cccc(Cl)c2C#N)C1 ZINC000334773548 379921412 /nfs/dbraw/zinc/92/14/12/379921412.db2.gz DEORZLOQCKXLLY-NSHDSACASA-N 1 1 286.766 2.939 20 30 CFEDMO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(C#N)cc1)C2 ZINC000175012980 379980314 /nfs/dbraw/zinc/98/03/14/379980314.db2.gz WNSKDKZHTCFBST-DLBZAZTESA-N 1 1 297.402 2.646 20 30 CFEDMO N#CC1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000335865445 380017266 /nfs/dbraw/zinc/01/72/66/380017266.db2.gz NAAFOGKPAYFBNE-UHFFFAOYSA-N 1 1 250.292 2.743 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175380714 380054626 /nfs/dbraw/zinc/05/46/26/380054626.db2.gz XLDISFDQHCPLFM-SJCJKPOMSA-N 1 1 251.395 2.993 20 30 CFEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000335888938 380056658 /nfs/dbraw/zinc/05/66/58/380056658.db2.gz ASDJAEIDIBVGGB-ZIAGYGMSSA-N 1 1 262.378 2.763 20 30 CFEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC4(CCC4)C3)o2)c1 ZINC000571970118 383743142 /nfs/dbraw/zinc/74/31/42/383743142.db2.gz QHOCXGSDHHAJGI-UHFFFAOYSA-N 1 1 294.358 2.984 20 30 CFEDMO C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(C#N)c(F)c1 ZINC000335962158 380166690 /nfs/dbraw/zinc/16/66/90/380166690.db2.gz MYIWQOKNQMXNDI-YGRLFVJLSA-N 1 1 284.338 2.629 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCn1nc(C#N)c2ccccc21 ZINC000335971328 380178406 /nfs/dbraw/zinc/17/84/06/380178406.db2.gz DQTBTYMRDKEPOU-ZDUSSCGKSA-N 1 1 268.364 2.782 20 30 CFEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1CC#Cc1ccc(Cl)cc1 ZINC000336126057 380272245 /nfs/dbraw/zinc/27/22/45/380272245.db2.gz RGPREDLFMUESNR-KBPBESRZSA-N 1 1 276.811 2.716 20 30 CFEDMO N#C[C@H]1CC[C@@H]([N@@H+]2CCOc3c(F)cccc3C2)C1 ZINC000336353812 380328608 /nfs/dbraw/zinc/32/86/08/380328608.db2.gz GBNCTGQNUHRJSK-WCQYABFASA-N 1 1 260.312 2.712 20 30 CFEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCOc3c(F)cccc3C2)C1 ZINC000336353812 380328613 /nfs/dbraw/zinc/32/86/13/380328613.db2.gz GBNCTGQNUHRJSK-WCQYABFASA-N 1 1 260.312 2.712 20 30 CFEDMO Cc1[nH+]cn(-c2ccc(NC(=O)[C@]3(C#N)C[C@H]3C)cc2)c1C ZINC000336302115 380311468 /nfs/dbraw/zinc/31/14/68/380311468.db2.gz HGKDZWXHDYXVTJ-DIFFPNOSSA-N 1 1 294.358 2.977 20 30 CFEDMO Cc1[nH+]cn(-c2ccc(NC(=O)[C@@]3(C#N)C[C@@H]3C)cc2)c1C ZINC000336302114 380311642 /nfs/dbraw/zinc/31/16/42/380311642.db2.gz HGKDZWXHDYXVTJ-APPDUMDISA-N 1 1 294.358 2.977 20 30 CFEDMO CC[C@H](CNCc1cc(C#N)cs1)[NH+]1CCCC1 ZINC000177684472 380367889 /nfs/dbraw/zinc/36/78/89/380367889.db2.gz HXQKNDATYZJBLZ-CYBMUJFWSA-N 1 1 263.410 2.584 20 30 CFEDMO C[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000177878829 380389155 /nfs/dbraw/zinc/38/91/55/380389155.db2.gz PAACLIKJNTYRDB-WDEREUQCSA-N 1 1 291.782 2.880 20 30 CFEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000336515135 380395264 /nfs/dbraw/zinc/39/52/64/380395264.db2.gz KURJAWCGUADSNH-HOTGVXAUSA-N 1 1 274.339 2.841 20 30 CFEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000336515135 380395269 /nfs/dbraw/zinc/39/52/69/380395269.db2.gz KURJAWCGUADSNH-HOTGVXAUSA-N 1 1 274.339 2.841 20 30 CFEDMO Cc1nsc(N2CC[NH+](CCCCCF)CC2)c1C#N ZINC000289439561 197347196 /nfs/dbraw/zinc/34/71/96/197347196.db2.gz JXLMIUJCBFKBMF-UHFFFAOYSA-N 1 1 296.415 2.585 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000336518579 380399195 /nfs/dbraw/zinc/39/91/95/380399195.db2.gz UDEWTFUUHCMGMQ-MRXNPFEDSA-N 1 1 266.348 2.592 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000177983853 380399452 /nfs/dbraw/zinc/39/94/52/380399452.db2.gz JJROGIDBKSSNMA-HZPDHXFCSA-N 1 1 256.349 2.559 20 30 CFEDMO C=C1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000264497125 383747086 /nfs/dbraw/zinc/74/70/86/383747086.db2.gz UVQMBGAOHYZHJL-INIZCTEOSA-N 1 1 270.376 2.658 20 30 CFEDMO N#Cc1ccc(Cl)cc1N[C@@H]1CCn2cc[nH+]c2C1 ZINC000336598398 380525058 /nfs/dbraw/zinc/52/50/58/380525058.db2.gz DSEDSMHNXNAMSP-GFCCVEGCSA-N 1 1 272.739 2.835 20 30 CFEDMO CC1=C[C@@H](C)C[N@@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000336600123 380528135 /nfs/dbraw/zinc/52/81/35/380528135.db2.gz GNEJEJSSEANDCD-OCCSQVGLSA-N 1 1 283.375 2.783 20 30 CFEDMO CC1=C[C@@H](C)C[N@H+]([C@@H](C)C(=O)Nc2ccccc2C#N)C1 ZINC000336600123 380528140 /nfs/dbraw/zinc/52/81/40/380528140.db2.gz GNEJEJSSEANDCD-OCCSQVGLSA-N 1 1 283.375 2.783 20 30 CFEDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)c1 ZINC000336601793 380530583 /nfs/dbraw/zinc/53/05/83/380530583.db2.gz OYMNYQRKFUBGPV-OAHLLOKOSA-N 1 1 284.338 2.649 20 30 CFEDMO CCC[N@H+](Cc1c[nH]cn1)Cc1ccc(C#N)cc1 ZINC000179458520 380546678 /nfs/dbraw/zinc/54/66/78/380546678.db2.gz RFBLLUPHNHYZDM-UHFFFAOYSA-N 1 1 254.337 2.694 20 30 CFEDMO CCC[N@@H+](Cc1c[nH]cn1)Cc1ccc(C#N)cc1 ZINC000179458520 380546682 /nfs/dbraw/zinc/54/66/82/380546682.db2.gz RFBLLUPHNHYZDM-UHFFFAOYSA-N 1 1 254.337 2.694 20 30 CFEDMO CCC[N@H+](Cc1cnc[nH]1)Cc1ccc(C#N)cc1 ZINC000179458520 380546689 /nfs/dbraw/zinc/54/66/89/380546689.db2.gz RFBLLUPHNHYZDM-UHFFFAOYSA-N 1 1 254.337 2.694 20 30 CFEDMO CCC[N@@H+](Cc1cnc[nH]1)Cc1ccc(C#N)cc1 ZINC000179458520 380546692 /nfs/dbraw/zinc/54/66/92/380546692.db2.gz RFBLLUPHNHYZDM-UHFFFAOYSA-N 1 1 254.337 2.694 20 30 CFEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)C1CCCC1 ZINC000179797495 380581625 /nfs/dbraw/zinc/58/16/25/380581625.db2.gz IADMUOIUFITOCH-UHFFFAOYSA-N 1 1 254.337 2.580 20 30 CFEDMO N#Cc1ccc2nc(N3CCC[N@H+](C4CC4)CC3)ccc2c1 ZINC000179900340 380593101 /nfs/dbraw/zinc/59/31/01/380593101.db2.gz GSMKFEPYELIAKZ-UHFFFAOYSA-N 1 1 292.386 2.781 20 30 CFEDMO Cc1cc(C#N)cc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000336713527 380605017 /nfs/dbraw/zinc/60/50/17/380605017.db2.gz NBSIMNMYCZAEFC-KRWDZBQOSA-N 1 1 292.386 2.948 20 30 CFEDMO C=CCCC[C@@H](C)NC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000180504999 380669592 /nfs/dbraw/zinc/66/95/92/380669592.db2.gz KQRGPGGTGGMWOO-UONOGXRCSA-N 1 1 292.427 2.872 20 30 CFEDMO Cc1nc(N[C@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1C#N ZINC000336815697 380676572 /nfs/dbraw/zinc/67/65/72/380676572.db2.gz IRACMABHDXIGQS-NSHDSACASA-N 1 1 276.771 2.564 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000180899825 380710434 /nfs/dbraw/zinc/71/04/34/380710434.db2.gz SQDDLMYAKDLOGO-LSDHHAIUSA-N 1 1 281.444 2.762 20 30 CFEDMO C=CCCC[C@@H](C)NC(=O)NCC[N@H+](CC)C1CC1 ZINC000180708618 380692112 /nfs/dbraw/zinc/69/21/12/380692112.db2.gz GUEICMNHCRZTET-CYBMUJFWSA-N 1 1 267.417 2.515 20 30 CFEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529715379 383749695 /nfs/dbraw/zinc/74/96/95/383749695.db2.gz FOPRMZNWTYXCRH-CQSZACIVSA-N 1 1 264.413 2.722 20 30 CFEDMO COc1cc(C[N@H+]2C[C@H]3CCCC[C@H]32)ccc1C#N ZINC000367955678 380865374 /nfs/dbraw/zinc/86/53/74/380865374.db2.gz KMKPOOJEMTUTEO-HUUCEWRRSA-N 1 1 256.349 2.941 20 30 CFEDMO COc1ccc(C[N@@H+]([C@H](C)CO)C2CCCC2)cc1C#N ZINC000287581712 380873195 /nfs/dbraw/zinc/87/31/95/380873195.db2.gz CHTFPFQTOSOQHO-CYBMUJFWSA-N 1 1 288.391 2.692 20 30 CFEDMO CC1=CC[N@@H+](CCNC(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000358438977 380848724 /nfs/dbraw/zinc/84/87/24/380848724.db2.gz PFJYJPFRFJPRIJ-UHFFFAOYSA-N 1 1 298.390 2.526 20 30 CFEDMO CC[N@H+](CCN[C@@H](C)c1ccc(OCC#N)cc1)C1CC1 ZINC000181653890 380853362 /nfs/dbraw/zinc/85/33/62/380853362.db2.gz CEDYDPUGOGJPFO-AWEZNQCLSA-N 1 1 287.407 2.724 20 30 CFEDMO CC[N@@H+](CCN[C@@H](C)c1ccc(OCC#N)cc1)C1CC1 ZINC000181653890 380853367 /nfs/dbraw/zinc/85/33/67/380853367.db2.gz CEDYDPUGOGJPFO-AWEZNQCLSA-N 1 1 287.407 2.724 20 30 CFEDMO C=CCNC(=O)C[NH2+][C@H](CCC)c1ccc(F)cc1F ZINC000181668431 380861144 /nfs/dbraw/zinc/86/11/44/380861144.db2.gz STEIEZXMXZLWRP-CQSZACIVSA-N 1 1 282.334 2.698 20 30 CFEDMO C=CCCCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000279262387 194356684 /nfs/dbraw/zinc/35/66/84/194356684.db2.gz UBXVFSFMWJCBHD-OAHLLOKOSA-N 1 1 260.381 2.762 20 30 CFEDMO C=C(CC)C[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000358496816 380883931 /nfs/dbraw/zinc/88/39/31/380883931.db2.gz JJUJTQHVZGKQSJ-UHFFFAOYSA-N 1 1 251.326 2.773 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCCC23CCOCC3)cc1 ZINC000368014202 380883967 /nfs/dbraw/zinc/88/39/67/380883967.db2.gz FCCSTJLLDIIGPV-UHFFFAOYSA-N 1 1 255.361 2.813 20 30 CFEDMO C=C(CC)C[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000358497806 380884378 /nfs/dbraw/zinc/88/43/78/380884378.db2.gz KXFYVHKXEHPTLZ-UHFFFAOYSA-N 1 1 273.355 2.786 20 30 CFEDMO C=C(CC)C[NH+]1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000358499418 380887114 /nfs/dbraw/zinc/88/71/14/380887114.db2.gz ODVRVMRAEINHIY-UHFFFAOYSA-N 1 1 297.402 2.892 20 30 CFEDMO C=C(CC)C[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000358503209 380889034 /nfs/dbraw/zinc/88/90/34/380889034.db2.gz XQVOVBFAIDUJSA-UHFFFAOYSA-N 1 1 273.355 2.786 20 30 CFEDMO CC(C)(CN1CCCC1)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000403991549 380897515 /nfs/dbraw/zinc/89/75/15/380897515.db2.gz DWOJZVPKMPREPC-UHFFFAOYSA-N 1 1 275.371 2.661 20 30 CFEDMO N#Cc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1F ZINC000404596555 380906433 /nfs/dbraw/zinc/90/64/33/380906433.db2.gz YCFWZXGDVGRBMX-BHYGNILZSA-N 1 1 287.382 2.708 20 30 CFEDMO CC[N@H+]1C[C@@H](C)N(Cc2cc(C#N)cs2)C[C@H]1C ZINC000353860378 380909922 /nfs/dbraw/zinc/90/99/22/380909922.db2.gz DRWCMCLTMWYFAL-VXGBXAGGSA-N 1 1 263.410 2.534 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCC(=O)NC1(C#N)CCCCC1 ZINC000407994216 380911976 /nfs/dbraw/zinc/91/19/76/380911976.db2.gz ALZVHFGSKUJIDL-AWEZNQCLSA-N 1 1 277.412 2.594 20 30 CFEDMO CCC[N@@H+](CC)CCN[C@@H](C)c1ccc(C#N)cc1 ZINC000181849272 380915515 /nfs/dbraw/zinc/91/55/15/380915515.db2.gz KRTKTOMJCPIAOG-AWEZNQCLSA-N 1 1 259.397 2.941 20 30 CFEDMO CCCN(CC)CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000181849272 380915529 /nfs/dbraw/zinc/91/55/29/380915529.db2.gz KRTKTOMJCPIAOG-AWEZNQCLSA-N 1 1 259.397 2.941 20 30 CFEDMO CC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(C#N)cc1 ZINC000368102621 380923770 /nfs/dbraw/zinc/92/37/70/380923770.db2.gz PHBNDQYGNARURL-HUUCEWRRSA-N 1 1 280.375 2.880 20 30 CFEDMO COc1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)cn1 ZINC000358558477 380924462 /nfs/dbraw/zinc/92/44/62/380924462.db2.gz CMDMCLZTIIUPJE-LLVKDONJSA-N 1 1 285.322 2.952 20 30 CFEDMO C#Cc1ccc(CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000295535774 380924770 /nfs/dbraw/zinc/92/47/70/380924770.db2.gz RRWDXWROZINDQK-ZNMIVQPWSA-N 1 1 284.403 2.545 20 30 CFEDMO C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccc(C#N)cc1F ZINC000358566112 380932215 /nfs/dbraw/zinc/93/22/15/380932215.db2.gz IIEIZDSOBGYFIP-BZNIZROVSA-N 1 1 275.371 2.688 20 30 CFEDMO Cc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)ccc1C#N ZINC000347121493 380955211 /nfs/dbraw/zinc/95/52/11/380955211.db2.gz GBUYAXSEFFOQEZ-GOSISDBHSA-N 1 1 293.370 2.915 20 30 CFEDMO C=CCC(C)(C)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000410638544 380985264 /nfs/dbraw/zinc/98/52/64/380985264.db2.gz QJBANHVJCLKCCR-CHWSQXEVSA-N 1 1 252.402 2.530 20 30 CFEDMO C[C@H](CC#N)[N@@H+](C)CCCCC(=O)OC(C)(C)C ZINC000182003545 380962689 /nfs/dbraw/zinc/96/26/89/380962689.db2.gz QQKXTSJYEGGTDI-GFCCVEGCSA-N 1 1 254.374 2.732 20 30 CFEDMO C=CCCCCC[N@@H+](C)[C@@H](C)c1nc(COC)no1 ZINC000181904841 380933158 /nfs/dbraw/zinc/93/31/58/380933158.db2.gz OPZQMBNQLQVKGH-LBPRGKRZSA-N 1 1 267.373 2.955 20 30 CFEDMO C=CCCCCC[N@H+](C)[C@@H](C)c1nc(COC)no1 ZINC000181904841 380933164 /nfs/dbraw/zinc/93/31/64/380933164.db2.gz OPZQMBNQLQVKGH-LBPRGKRZSA-N 1 1 267.373 2.955 20 30 CFEDMO C[C@@H](CO)[N@@H+](CC#Cc1ccccc1)C1CCCC1 ZINC000287786609 380939518 /nfs/dbraw/zinc/93/95/18/380939518.db2.gz NSRGSKKONIRJBF-HNNXBMFYSA-N 1 1 257.377 2.664 20 30 CFEDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)[C@H]1C ZINC000347229662 381015294 /nfs/dbraw/zinc/01/52/94/381015294.db2.gz XNQKVSFFZJTUFW-GXFFZTMASA-N 1 1 292.766 2.595 20 30 CFEDMO CC(=O)NC[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411196764 381015947 /nfs/dbraw/zinc/01/59/47/381015947.db2.gz KDJCBORFUTYRNM-MRXNPFEDSA-N 1 1 291.439 2.699 20 30 CFEDMO COC[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411286568 381021535 /nfs/dbraw/zinc/02/15/35/381021535.db2.gz WHCOXOGQYHYTMP-CQSZACIVSA-N 1 1 250.386 2.819 20 30 CFEDMO C[C@H](CCC#N)[N@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000411363946 381022656 /nfs/dbraw/zinc/02/26/56/381022656.db2.gz KWFCLKZGUWQKAM-SNVBAGLBSA-N 1 1 281.306 2.527 20 30 CFEDMO C[C@H](CCC#N)[N@@H+](C)CC(=O)Nc1cc(F)cc(F)c1 ZINC000411363946 381022665 /nfs/dbraw/zinc/02/26/65/381022665.db2.gz KWFCLKZGUWQKAM-SNVBAGLBSA-N 1 1 281.306 2.527 20 30 CFEDMO CC(CCN(C)[C@H](C)CC#N)CC[N@H+](C)[C@H](C)CC#N ZINC000411314702 381023205 /nfs/dbraw/zinc/02/32/05/381023205.db2.gz FQOTWCCBUFVWPK-HZPDHXFCSA-N 1 1 278.444 2.871 20 30 CFEDMO CC(CCN(C)[C@H](C)CC#N)CC[N@@H+](C)[C@H](C)CC#N ZINC000411314702 381023214 /nfs/dbraw/zinc/02/32/14/381023214.db2.gz FQOTWCCBUFVWPK-HZPDHXFCSA-N 1 1 278.444 2.871 20 30 CFEDMO C[C@@H]1[C@H](C)OCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411330734 381023457 /nfs/dbraw/zinc/02/34/57/381023457.db2.gz SWWMGIKTKKQVKE-KGLIPLIRSA-N 1 1 250.386 2.960 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000411332134 381023847 /nfs/dbraw/zinc/02/38/47/381023847.db2.gz MYTIWPKDVXJTFQ-JKSUJKDBSA-N 1 1 299.418 2.821 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000411552076 381032022 /nfs/dbraw/zinc/03/20/22/381032022.db2.gz NEQKJABOTLCULY-OLZOCXBDSA-N 1 1 266.385 2.732 20 30 CFEDMO C[C@@H](O)[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411497253 381028213 /nfs/dbraw/zinc/02/82/13/381028213.db2.gz OBLLOCNUCJBPIG-ZIAGYGMSSA-N 1 1 250.386 2.553 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000279300149 194374297 /nfs/dbraw/zinc/37/42/97/194374297.db2.gz QEZLTAALFFPVJZ-UHFFFAOYSA-N 1 1 294.782 2.631 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000279300149 194374299 /nfs/dbraw/zinc/37/42/99/194374299.db2.gz QEZLTAALFFPVJZ-UHFFFAOYSA-N 1 1 294.782 2.631 20 30 CFEDMO C=C(CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000288074328 381004557 /nfs/dbraw/zinc/00/45/57/381004557.db2.gz GGUWFCBKELVKKD-MRXNPFEDSA-N 1 1 272.392 2.690 20 30 CFEDMO COC[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@H](C)O1 ZINC000411603498 381035817 /nfs/dbraw/zinc/03/58/17/381035817.db2.gz DUILEDLRDBWKGQ-LSDHHAIUSA-N 1 1 280.412 2.586 20 30 CFEDMO CCC[N@H+](CCN1CCCCC1)Cc1cc(C#N)n(C)c1 ZINC000289565450 381045264 /nfs/dbraw/zinc/04/52/64/381045264.db2.gz JHJQOPLIUQJMAC-UHFFFAOYSA-N 1 1 288.439 2.595 20 30 CFEDMO CCC[N@@H+](CCN1CCCCC1)Cc1cc(C#N)n(C)c1 ZINC000289565450 381045271 /nfs/dbraw/zinc/04/52/71/381045271.db2.gz JHJQOPLIUQJMAC-UHFFFAOYSA-N 1 1 288.439 2.595 20 30 CFEDMO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000289650233 381086406 /nfs/dbraw/zinc/08/64/06/381086406.db2.gz GGGGBLNUKYBZLD-WCBMZHEXSA-N 1 1 288.160 2.786 20 30 CFEDMO CC[C@H](CO)[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000347353595 381091240 /nfs/dbraw/zinc/09/12/40/381091240.db2.gz FCLXIKHCCXKVKO-MRXNPFEDSA-N 1 1 260.381 2.953 20 30 CFEDMO C[C@@]1(F)CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000347358288 381097179 /nfs/dbraw/zinc/09/71/79/381097179.db2.gz SGGSAFQEZUUGBV-OAHLLOKOSA-N 1 1 262.328 2.761 20 30 CFEDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CCCC(C)(C)C#N ZINC000182623208 381122565 /nfs/dbraw/zinc/12/25/65/381122565.db2.gz ISNBQPRCAJCLTA-GFCCVEGCSA-N 1 1 254.374 2.590 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@](CC)(CO)C2)cc1 ZINC000289719807 381119877 /nfs/dbraw/zinc/11/98/77/381119877.db2.gz OIJSBNZLRYTDTA-KRWDZBQOSA-N 1 1 257.377 2.652 20 30 CFEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@@H](C)C[C@H]1C ZINC000354224884 381148265 /nfs/dbraw/zinc/14/82/65/381148265.db2.gz UKCDKJSQDFKPAF-QWHCGFSZSA-N 1 1 274.364 2.676 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000354225055 381150543 /nfs/dbraw/zinc/15/05/43/381150543.db2.gz UXLRWNJYDBSTPI-HNNXBMFYSA-N 1 1 286.375 2.601 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000354225055 381150548 /nfs/dbraw/zinc/15/05/48/381150548.db2.gz UXLRWNJYDBSTPI-HNNXBMFYSA-N 1 1 286.375 2.601 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@H](C3CC3)C2)cc1 ZINC000368886205 381156892 /nfs/dbraw/zinc/15/68/92/381156892.db2.gz BCJJNBHKRAIXDO-GUYCJALGSA-N 1 1 286.375 2.588 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCO[C@H](C3CC3)C2)cc1 ZINC000368886205 381156898 /nfs/dbraw/zinc/15/68/98/381156898.db2.gz BCJJNBHKRAIXDO-GUYCJALGSA-N 1 1 286.375 2.588 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(C#N)cc1F ZINC000289802136 381165727 /nfs/dbraw/zinc/16/57/27/381165727.db2.gz ZFLAUFNCDHUZLR-CYBMUJFWSA-N 1 1 277.387 2.907 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000368792856 381136623 /nfs/dbraw/zinc/13/66/23/381136623.db2.gz YNBMANWYDLLALB-QGZVFWFLSA-N 1 1 270.376 2.949 20 30 CFEDMO Cc1cn2c([nH+]1)CC[C@@H](Nc1nc(C)cc(C)c1C#N)C2 ZINC000369045387 381183702 /nfs/dbraw/zinc/18/37/02/381183702.db2.gz HTIOCIAJLIKANB-CYBMUJFWSA-N 1 1 281.363 2.502 20 30 CFEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)c2)[C@@H]1[C@@H]1CCCO1 ZINC000289922804 381218519 /nfs/dbraw/zinc/21/85/19/381218519.db2.gz UTGXEEIZHJBHEE-JKSUJKDBSA-N 1 1 270.376 2.948 20 30 CFEDMO C=C1CC[NH+]([C@@H](C)C(=O)N(C)C2CCCCC2)CC1 ZINC000342153159 381214146 /nfs/dbraw/zinc/21/41/46/381214146.db2.gz BTITURYUJQBGNA-AWEZNQCLSA-N 1 1 264.413 2.818 20 30 CFEDMO C=CCCCCC[N@H+](C)Cc1ccccc1S(N)(=O)=O ZINC000289919039 381215791 /nfs/dbraw/zinc/21/57/91/381215791.db2.gz OLBUPSUWIMOMEO-UHFFFAOYSA-N 1 1 296.436 2.512 20 30 CFEDMO CC1(C)C[C@@H](O)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000296090864 381250924 /nfs/dbraw/zinc/25/09/24/381250924.db2.gz PQRJQKISDBGHDR-INIZCTEOSA-N 1 1 275.367 2.660 20 30 CFEDMO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1cccc(C#N)c1 ZINC000289990126 381250977 /nfs/dbraw/zinc/25/09/77/381250977.db2.gz YJZSZIFYZAHSOV-CYBMUJFWSA-N 1 1 280.375 2.870 20 30 CFEDMO Cc1cc(C#N)cc(N(C)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000342299550 381258938 /nfs/dbraw/zinc/25/89/38/381258938.db2.gz XEKQENAAYKTLKQ-HNNXBMFYSA-N 1 1 272.396 2.572 20 30 CFEDMO CC(C)C[N@H+]1CCCN(Cc2cc(C#N)ccc2F)CC1 ZINC000369584867 381293144 /nfs/dbraw/zinc/29/31/44/381293144.db2.gz PPHVNWLPIHSLSM-UHFFFAOYSA-N 1 1 289.398 2.861 20 30 CFEDMO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1noc(COCC)n1 ZINC000290039806 381274126 /nfs/dbraw/zinc/27/41/26/381274126.db2.gz DKWKKITXLGXLCX-QJPTWQEYSA-N 1 1 267.373 2.857 20 30 CFEDMO C[C@@H](C#N)C[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000183813260 381323430 /nfs/dbraw/zinc/32/34/30/381323430.db2.gz KQWVXEFFVDLOSR-VIFPVBQESA-N 1 1 258.243 2.834 20 30 CFEDMO CC[C@@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc(C#N)cc1 ZINC000296335444 381351164 /nfs/dbraw/zinc/35/11/64/381351164.db2.gz HNQRMCRLGAPWEJ-CQSZACIVSA-N 1 1 281.363 2.795 20 30 CFEDMO C=CCOCC[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296343603 381354574 /nfs/dbraw/zinc/35/45/74/381354574.db2.gz PZZCOYGBMHNSRZ-AWEZNQCLSA-N 1 1 269.772 2.508 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000370229700 381409948 /nfs/dbraw/zinc/40/99/48/381409948.db2.gz DIEIZGLZAOJFPO-KBPBESRZSA-N 1 1 271.401 2.609 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000296452736 381401683 /nfs/dbraw/zinc/40/16/83/381401683.db2.gz MUNDBOUFCVXJRA-RVKKMQEKSA-N 1 1 286.419 2.517 20 30 CFEDMO C#CCOc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000296452736 381401687 /nfs/dbraw/zinc/40/16/87/381401687.db2.gz MUNDBOUFCVXJRA-RVKKMQEKSA-N 1 1 286.419 2.517 20 30 CFEDMO C#CCOc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000296452736 381401692 /nfs/dbraw/zinc/40/16/92/381401692.db2.gz MUNDBOUFCVXJRA-RVKKMQEKSA-N 1 1 286.419 2.517 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000296452736 381401696 /nfs/dbraw/zinc/40/16/96/381401696.db2.gz MUNDBOUFCVXJRA-RVKKMQEKSA-N 1 1 286.419 2.517 20 30 CFEDMO C[C@@H](C#N)C[N@H+](C[C@H](O)C1CCCCC1)C1CC1 ZINC000354728615 381424443 /nfs/dbraw/zinc/42/44/43/381424443.db2.gz IASPDJJROSAFSH-WFASDCNBSA-N 1 1 250.386 2.552 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](C[C@H](O)C1CCCCC1)C1CC1 ZINC000354728615 381424447 /nfs/dbraw/zinc/42/44/47/381424447.db2.gz IASPDJJROSAFSH-WFASDCNBSA-N 1 1 250.386 2.552 20 30 CFEDMO C[N@@H+](CCCOc1cccc(C#N)c1)CC[C@@H]1CCCO1 ZINC000342601777 381428270 /nfs/dbraw/zinc/42/82/70/381428270.db2.gz LCYVEPBYSMABLO-INIZCTEOSA-N 1 1 288.391 2.828 20 30 CFEDMO CCCn1ccnc1CCC[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000290540024 381472600 /nfs/dbraw/zinc/47/26/00/381472600.db2.gz RDQACXLOKDDWQK-UHFFFAOYSA-N 1 1 299.422 2.568 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000359566501 381476204 /nfs/dbraw/zinc/47/62/04/381476204.db2.gz VVDYNSSWWIKRQH-RDJZCZTQSA-N 1 1 276.424 2.699 20 30 CFEDMO C=CC[N@H+](CCc1cnn(C)c1)Cc1cccs1 ZINC000348276937 381477715 /nfs/dbraw/zinc/47/77/15/381477715.db2.gz PZCJCVFVBOKZLM-UHFFFAOYSA-N 1 1 261.394 2.712 20 30 CFEDMO N#Cc1cccc(C[NH2+][C@H](CO)c2cccc(F)c2)c1F ZINC000359527242 381452027 /nfs/dbraw/zinc/45/20/27/381452027.db2.gz DXHTVVHCHINNIL-OAHLLOKOSA-N 1 1 288.297 2.660 20 30 CFEDMO C=CCOCCC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000348032496 381454680 /nfs/dbraw/zinc/45/46/80/381454680.db2.gz MEDJFTKPLZKSPR-INIZCTEOSA-N 1 1 285.391 2.876 20 30 CFEDMO C=C(C)C[N@@H+](C)C[C@H]1C[C@@H](F)CN1Cc1nccs1 ZINC000348072491 381460311 /nfs/dbraw/zinc/46/03/11/381460311.db2.gz BDILSNWWIYJSIU-CHWSQXEVSA-N 1 1 283.416 2.563 20 30 CFEDMO C=CCOCCC[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000348061780 381460719 /nfs/dbraw/zinc/46/07/19/381460719.db2.gz ZEJMQCTVMSCWFT-HNNXBMFYSA-N 1 1 255.402 2.718 20 30 CFEDMO C=C(C)C[N@@H+](C)C[C@H]1C[C@H](F)CN1Cc1nccs1 ZINC000348072495 381461194 /nfs/dbraw/zinc/46/11/94/381461194.db2.gz BDILSNWWIYJSIU-QWHCGFSZSA-N 1 1 283.416 2.563 20 30 CFEDMO C=CCC[N@H+](C)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000342727164 381503495 /nfs/dbraw/zinc/50/34/95/381503495.db2.gz AZQURCJDNOFKDG-UHFFFAOYSA-N 1 1 268.320 2.616 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000342727095 381503844 /nfs/dbraw/zinc/50/38/44/381503844.db2.gz ATDCCCPXMXQLEH-OAHLLOKOSA-N 1 1 274.408 2.850 20 30 CFEDMO C=CCC[N@@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000342731826 381505381 /nfs/dbraw/zinc/50/53/81/381505381.db2.gz CBBSNFVIIAGKKK-UHFFFAOYSA-N 1 1 291.376 2.850 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000342731826 381505385 /nfs/dbraw/zinc/50/53/85/381505385.db2.gz CBBSNFVIIAGKKK-UHFFFAOYSA-N 1 1 291.376 2.850 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000342737195 381509990 /nfs/dbraw/zinc/50/99/90/381509990.db2.gz QIPDSNFOTKNERW-KBPBESRZSA-N 1 1 252.402 2.674 20 30 CFEDMO COC(=O)C1([N@H+](C)Cc2ccc(CC#N)cc2)CCCC1 ZINC000342740124 381511479 /nfs/dbraw/zinc/51/14/79/381511479.db2.gz UMSRBOYPVNAGEW-UHFFFAOYSA-N 1 1 286.375 2.670 20 30 CFEDMO COC(=O)C1([N@@H+](C)Cc2ccc(CC#N)cc2)CCCC1 ZINC000342740124 381511488 /nfs/dbraw/zinc/51/14/88/381511488.db2.gz UMSRBOYPVNAGEW-UHFFFAOYSA-N 1 1 286.375 2.670 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000342740176 381512255 /nfs/dbraw/zinc/51/22/55/381512255.db2.gz QRYZJZFRUROSSG-KGLIPLIRSA-N 1 1 252.402 2.531 20 30 CFEDMO COC[C@]1(C)CC[N@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000296654363 381491735 /nfs/dbraw/zinc/49/17/35/381491735.db2.gz JGLKUCINEHSFJD-XJKSGUPXSA-N 1 1 258.365 2.978 20 30 CFEDMO 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CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(C#N)o1 ZINC000188037532 382330899 /nfs/dbraw/zinc/33/08/99/382330899.db2.gz AKKUJVBXZSWYRM-HNNXBMFYSA-N 1 1 262.353 2.524 20 30 CFEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)Nc1c(C#N)cccc1C#N ZINC000302829178 382331190 /nfs/dbraw/zinc/33/11/90/382331190.db2.gz JMDGXAMZVWPLRV-ZIAGYGMSSA-N 1 1 282.391 2.962 20 30 CFEDMO C=C(CC)C[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000352442379 382335922 /nfs/dbraw/zinc/33/59/22/382335922.db2.gz PFKSBYXRYIQBLG-LBPRGKRZSA-N 1 1 292.345 2.733 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000377761896 382336896 /nfs/dbraw/zinc/33/68/96/382336896.db2.gz MJMLSRKKHVTEMV-MRXNPFEDSA-N 1 1 296.374 2.519 20 30 CFEDMO C[C@@H]1CC[C@](CO)([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC000187907314 382293068 /nfs/dbraw/zinc/29/30/68/382293068.db2.gz ORPGSAPNJXHTSA-WBMJQRKESA-N 1 1 276.355 2.680 20 30 CFEDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC000187907340 382293749 /nfs/dbraw/zinc/29/37/49/382293749.db2.gz 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1 1 288.391 2.714 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CC[C@]23CCOC3)cc1OC ZINC000421391974 382515000 /nfs/dbraw/zinc/51/50/00/382515000.db2.gz BCYCPWHJLSLGIK-QGZVFWFLSA-N 1 1 289.375 2.625 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CC[C@]23CCOC3)cc1OC ZINC000421391974 382515006 /nfs/dbraw/zinc/51/50/06/382515006.db2.gz BCYCPWHJLSLGIK-QGZVFWFLSA-N 1 1 289.375 2.625 20 30 CFEDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000380530659 382515043 /nfs/dbraw/zinc/51/50/43/382515043.db2.gz KSUHRPLLOINURY-LLVKDONJSA-N 1 1 276.340 2.607 20 30 CFEDMO C[C@H]([N@@H+](C)Cc1ccc(C#N)cc1Cl)C(C)(C)O ZINC000382972389 382538641 /nfs/dbraw/zinc/53/86/41/382538641.db2.gz RBBYOYWCLKEDOT-JTQLQIEISA-N 1 1 266.772 2.803 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000322164642 382540232 /nfs/dbraw/zinc/54/02/32/382540232.db2.gz NAQGVCWUVRTMKB-LJQANCHMSA-N 1 1 284.469 2.939 20 30 CFEDMO N#Cc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000353390463 382541557 /nfs/dbraw/zinc/54/15/57/382541557.db2.gz USVGOZNLFVYOIG-SQNIBIBYSA-N 1 1 281.403 2.762 20 30 CFEDMO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN3CCCC[C@@H]13)CC2 ZINC000353390463 382541560 /nfs/dbraw/zinc/54/15/60/382541560.db2.gz USVGOZNLFVYOIG-SQNIBIBYSA-N 1 1 281.403 2.762 20 30 CFEDMO N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CC2 ZINC000353411519 382544837 /nfs/dbraw/zinc/54/48/37/382544837.db2.gz KJRCSCXGAYWLOD-JFIYKMOQSA-N 1 1 281.403 2.762 20 30 CFEDMO N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000353411519 382544841 /nfs/dbraw/zinc/54/48/41/382544841.db2.gz KJRCSCXGAYWLOD-JFIYKMOQSA-N 1 1 281.403 2.762 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc2ccccc2n1 ZINC000294962368 382553933 /nfs/dbraw/zinc/55/39/33/382553933.db2.gz JIXLYNMRBNCOAX-HNNXBMFYSA-N 1 1 281.403 2.841 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1ccc2ccccc2n1 ZINC000294962368 382553937 /nfs/dbraw/zinc/55/39/37/382553937.db2.gz JIXLYNMRBNCOAX-HNNXBMFYSA-N 1 1 281.403 2.841 20 30 CFEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000353513611 382555780 /nfs/dbraw/zinc/55/57/80/382555780.db2.gz AORWKPGZXOMQCV-GHMZBOCLSA-N 1 1 290.310 2.507 20 30 CFEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1 ZINC000353513611 382555783 /nfs/dbraw/zinc/55/57/83/382555783.db2.gz AORWKPGZXOMQCV-GHMZBOCLSA-N 1 1 290.310 2.507 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2nc(C)nc2C)cc1 ZINC000367298521 382564623 /nfs/dbraw/zinc/56/46/23/382564623.db2.gz BXJBXFXDOMZJSI-SFHVURJKSA-N 1 1 294.402 2.541 20 30 CFEDMO C#CC[N@H+](C)CCC[NH2+][C@H](C)c1sc(CC)nc1C ZINC000295060299 382571487 /nfs/dbraw/zinc/57/14/87/382571487.db2.gz RDPAYSBQWKBNES-GFCCVEGCSA-N 1 1 279.453 2.620 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@H](C)c1sc(CC)nc1C ZINC000295060299 382571492 /nfs/dbraw/zinc/57/14/92/382571492.db2.gz RDPAYSBQWKBNES-GFCCVEGCSA-N 1 1 279.453 2.620 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@H](C)c1sc(CC)nc1C ZINC000295060299 382571497 /nfs/dbraw/zinc/57/14/97/382571497.db2.gz RDPAYSBQWKBNES-GFCCVEGCSA-N 1 1 279.453 2.620 20 30 CFEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2cc(C#N)ccn2)C1 ZINC000367465657 382572353 /nfs/dbraw/zinc/57/23/53/382572353.db2.gz MLQZDUKOMOEIDP-KRWDZBQOSA-N 1 1 292.386 2.664 20 30 CFEDMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000385644063 382574070 /nfs/dbraw/zinc/57/40/70/382574070.db2.gz KHTMQZGAIVQKFI-HIFRSBDPSA-N 1 1 278.783 2.804 20 30 CFEDMO C=CC[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000189041494 382531002 /nfs/dbraw/zinc/53/10/02/382531002.db2.gz QQGZPESQIAYVCM-UHFFFAOYSA-N 1 1 252.745 2.786 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](SC)C1 ZINC000382859549 382537875 /nfs/dbraw/zinc/53/78/75/382537875.db2.gz AQBJXQPHOJHJCY-ZDUSSCGKSA-N 1 1 262.378 2.504 20 30 CFEDMO Cc1cc(C)c(C[NH2+]Cc2ccc(C#N)cc2F)cn1 ZINC000396962418 382632338 /nfs/dbraw/zinc/63/23/38/382632338.db2.gz CUTYIVRLOGCSMK-UHFFFAOYSA-N 1 1 269.323 2.999 20 30 CFEDMO C#CCCC[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000295216083 382587482 /nfs/dbraw/zinc/58/74/82/382587482.db2.gz ALJYYCQVLFMEJA-CQSZACIVSA-N 1 1 296.208 2.828 20 30 CFEDMO C=CCC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000189494064 382616327 /nfs/dbraw/zinc/61/63/27/382616327.db2.gz HRJZLMRWWYAQEI-IRXDYDNUSA-N 1 1 286.419 2.947 20 30 CFEDMO COc1cnccc1[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000189563355 382624589 /nfs/dbraw/zinc/62/45/89/382624589.db2.gz HFUVKZUDACCGRL-JTQLQIEISA-N 1 1 273.361 2.874 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000367612629 382578290 /nfs/dbraw/zinc/57/82/90/382578290.db2.gz DPVZNCJFCTZUFW-WMZOPIPTSA-N 1 1 299.418 2.659 20 30 CFEDMO C[N@H+]1CCCC12CCN(c1ncc(C#N)cc1Cl)CC2 ZINC000367640862 382579056 /nfs/dbraw/zinc/57/90/56/382579056.db2.gz AGXHPCGWQKAUDL-UHFFFAOYSA-N 1 1 290.798 2.671 20 30 CFEDMO C#CCCOc1ccc(C[N@H+](CC(C)(C)O)C2CC2)cc1 ZINC000189946578 382646715 /nfs/dbraw/zinc/64/67/15/382646715.db2.gz UAFKIHLGJAXAHW-UHFFFAOYSA-N 1 1 287.403 2.824 20 30 CFEDMO CC#CCNC1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000189950263 382646732 /nfs/dbraw/zinc/64/67/32/382646732.db2.gz WYSANOGXDNKWRX-BYICEURKSA-N 1 1 270.420 2.756 20 30 CFEDMO CC#CCNC1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000189950263 382646734 /nfs/dbraw/zinc/64/67/34/382646734.db2.gz WYSANOGXDNKWRX-BYICEURKSA-N 1 1 270.420 2.756 20 30 CFEDMO CC#CC[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000189950263 382646735 /nfs/dbraw/zinc/64/67/35/382646735.db2.gz WYSANOGXDNKWRX-BYICEURKSA-N 1 1 270.420 2.756 20 30 CFEDMO C=C(C)CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000189982429 382648546 /nfs/dbraw/zinc/64/85/46/382648546.db2.gz OOPWXIRQFLFTEO-AWEZNQCLSA-N 1 1 295.814 2.818 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000190981782 382687342 /nfs/dbraw/zinc/68/73/42/382687342.db2.gz ZEKHAFKYXCISLK-DZKIICNBSA-N 1 1 266.429 2.825 20 30 CFEDMO CCc1n[nH]c(C2CC[NH+](CCCC(C)(C)C#N)CC2)n1 ZINC000190676512 382677466 /nfs/dbraw/zinc/67/74/66/382677466.db2.gz YAXPAWVTHOJIGI-UHFFFAOYSA-N 1 1 289.427 2.876 20 30 CFEDMO CCc1nc(C2CC[NH+](CCCC(C)(C)C#N)CC2)n[nH]1 ZINC000190676512 382677468 /nfs/dbraw/zinc/67/74/68/382677468.db2.gz YAXPAWVTHOJIGI-UHFFFAOYSA-N 1 1 289.427 2.876 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(C)(C)C#N ZINC000398168644 382635340 /nfs/dbraw/zinc/63/53/40/382635340.db2.gz NNNXBYBBGOGFDH-GOEBONIOSA-N 1 1 299.418 2.563 20 30 CFEDMO C=CC[N@@H+](CCOC)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000191117843 382691977 /nfs/dbraw/zinc/69/19/77/382691977.db2.gz SARXSGBWKXHXAK-OAHLLOKOSA-N 1 1 290.407 2.765 20 30 CFEDMO C=CC[N@H+](CCOC)[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000191117843 382691978 /nfs/dbraw/zinc/69/19/78/382691978.db2.gz SARXSGBWKXHXAK-OAHLLOKOSA-N 1 1 290.407 2.765 20 30 CFEDMO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000191143268 382692677 /nfs/dbraw/zinc/69/26/77/382692677.db2.gz NDOYBERMWYUAKN-HNNXBMFYSA-N 1 1 296.455 2.691 20 30 CFEDMO C=CC[N@H+](CCOC)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000191143268 382692678 /nfs/dbraw/zinc/69/26/78/382692678.db2.gz NDOYBERMWYUAKN-HNNXBMFYSA-N 1 1 296.455 2.691 20 30 CFEDMO C=CC[N@@H+](CCOC)[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000191143251 382692855 /nfs/dbraw/zinc/69/28/55/382692855.db2.gz NDOYBERMWYUAKN-OAHLLOKOSA-N 1 1 296.455 2.691 20 30 CFEDMO C=CC[N@H+](CCOC)[C@H](C)C(=O)N(CC)C1CCCCC1 ZINC000191143251 382692856 /nfs/dbraw/zinc/69/28/56/382692856.db2.gz NDOYBERMWYUAKN-OAHLLOKOSA-N 1 1 296.455 2.691 20 30 CFEDMO CCCO[C@H]1CCC[N@@H+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191348455 382698815 /nfs/dbraw/zinc/69/88/15/382698815.db2.gz JTTMAOWNABCJKE-INIZCTEOSA-N 1 1 275.396 2.678 20 30 CFEDMO Cn1cc(C[N@@H+](C)[C@@H]2CCc3ccccc3C2)cc1C#N ZINC000191368068 382699187 /nfs/dbraw/zinc/69/91/87/382699187.db2.gz CSAPIRHAUUBMPF-QGZVFWFLSA-N 1 1 279.387 2.886 20 30 CFEDMO Cn1cc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1C#N ZINC000191408482 382699950 /nfs/dbraw/zinc/69/99/50/382699950.db2.gz CLBOSXBSFJXLLK-KRWDZBQOSA-N 1 1 294.402 2.973 20 30 CFEDMO C=CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCOC ZINC000191757173 382702296 /nfs/dbraw/zinc/70/22/96/382702296.db2.gz CSFZIUYBYGXUHI-SOFGYWHQSA-N 1 1 276.336 2.742 20 30 CFEDMO CCCCCCCCC[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000192049535 382704448 /nfs/dbraw/zinc/70/44/48/382704448.db2.gz CCQWMTGZBRGLKG-UHFFFAOYSA-N 1 1 291.439 2.889 20 30 CFEDMO C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000193056072 382715065 /nfs/dbraw/zinc/71/50/65/382715065.db2.gz KFDGDFACIJWSMK-UHFFFAOYSA-N 1 1 291.782 2.681 20 30 CFEDMO C[N@@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC1 ZINC000193056072 382715066 /nfs/dbraw/zinc/71/50/66/382715066.db2.gz KFDGDFACIJWSMK-UHFFFAOYSA-N 1 1 291.782 2.681 20 30 CFEDMO C=CCCCCC[NH+]1CCN(C(=O)c2ccco2)CC1 ZINC000193291814 382718243 /nfs/dbraw/zinc/71/82/43/382718243.db2.gz VFJMLKIANMKDBF-UHFFFAOYSA-N 1 1 276.380 2.784 20 30 CFEDMO CCN(CC)C(=O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000193760578 382724607 /nfs/dbraw/zinc/72/46/07/382724607.db2.gz TWWSXLIBXDVUNH-AWEZNQCLSA-N 1 1 287.407 2.810 20 30 CFEDMO CCC[C@]1(COC)CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000195198935 382763709 /nfs/dbraw/zinc/76/37/09/382763709.db2.gz LUNWEXUFAIXRGZ-MRXNPFEDSA-N 1 1 275.396 2.678 20 30 CFEDMO C=CC[N@H+](Cc1ccccc1)Cc1cnc(OC)nc1C ZINC000337133162 382765410 /nfs/dbraw/zinc/76/54/10/382765410.db2.gz LZBRDTXZGBNMIR-UHFFFAOYSA-N 1 1 283.375 2.982 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cnc(OC)nc1C ZINC000337133162 382765413 /nfs/dbraw/zinc/76/54/13/382765413.db2.gz LZBRDTXZGBNMIR-UHFFFAOYSA-N 1 1 283.375 2.982 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2Cc2ccc(C)cc2)C1=O ZINC000337133467 382765491 /nfs/dbraw/zinc/76/54/91/382765491.db2.gz AXLXEEZFDLQWRO-MSOLQXFVSA-N 1 1 298.430 2.789 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2CCC(C)C)C1=O ZINC000337144971 382767814 /nfs/dbraw/zinc/76/78/14/382767814.db2.gz DJFMNAACMANHGT-CABCVRRESA-N 1 1 264.413 2.674 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)Cc1cnc(OC)nc1C ZINC000337176417 382771927 /nfs/dbraw/zinc/77/19/27/382771927.db2.gz IWUMQRKLOZYAGO-UHFFFAOYSA-N 1 1 287.363 2.617 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2CC(C)C)C1=O ZINC000337186442 382773241 /nfs/dbraw/zinc/77/32/41/382773241.db2.gz PIOINSZNJALYPM-LSDHHAIUSA-N 1 1 264.413 2.674 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)C1=O ZINC000337188579 382773537 /nfs/dbraw/zinc/77/35/37/382773537.db2.gz QJUPKAKWRZTQAD-JQHSSLGASA-N 1 1 298.430 2.899 20 30 CFEDMO C[C@@H]1C[N@@H+](CCCC2(C#N)CCOCC2)[C@H](C)[C@H](C)O1 ZINC000337200464 382775417 /nfs/dbraw/zinc/77/54/17/382775417.db2.gz FDLYMSRGPVZVMY-KFWWJZLASA-N 1 1 280.412 2.585 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C)C[C@H]2CCc3ccccc3C2)C1=O ZINC000337224933 382780388 /nfs/dbraw/zinc/78/03/88/382780388.db2.gz NWARYVNRXVGNHQ-YJBOKZPZSA-N 1 1 298.430 2.510 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+](C)CCC(C)(C)CC)C1=O ZINC000337227259 382780744 /nfs/dbraw/zinc/78/07/44/382780744.db2.gz PXHOPXCWMFPMHL-CYBMUJFWSA-N 1 1 252.402 2.531 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)CC[C@H]2CCC[C@H](C)C2)C1=O ZINC000337229361 382781181 /nfs/dbraw/zinc/78/11/81/382781181.db2.gz RTMHNYHXXGQMDV-XHSDSOJGSA-N 1 1 278.440 2.922 20 30 CFEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](c3ccc(C)cc3C)C2)C1=O ZINC000337233027 382781691 /nfs/dbraw/zinc/78/16/91/382781691.db2.gz KBJMMTVONFYKIK-WMZOPIPTSA-N 1 1 298.430 2.880 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](CC(=C)C)Cc2ccccc2)C1=O ZINC000337253709 382786493 /nfs/dbraw/zinc/78/64/93/382786493.db2.gz SEPCJZHPQSQEFX-KRWDZBQOSA-N 1 1 284.403 2.852 20 30 CFEDMO Cn1c(NCCc2cccc(C#N)c2)[nH+]c2cccc(F)c21 ZINC000337004424 382750895 /nfs/dbraw/zinc/75/08/95/382750895.db2.gz YFIHUUWOIDWTKV-UHFFFAOYSA-N 1 1 294.333 2.661 20 30 CFEDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCCCC#N)C1 ZINC000194870773 382756462 /nfs/dbraw/zinc/75/64/62/382756462.db2.gz LFEBEWUZVHPOKB-OAHLLOKOSA-N 1 1 266.385 2.591 20 30 CFEDMO Cc1ccsc1C[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000575326263 382758764 /nfs/dbraw/zinc/75/87/64/382758764.db2.gz KGCOWUJALGVUTM-UHFFFAOYSA-N 1 1 257.362 2.955 20 30 CFEDMO Cc1ccsc1C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000575326263 382758765 /nfs/dbraw/zinc/75/87/65/382758765.db2.gz KGCOWUJALGVUTM-UHFFFAOYSA-N 1 1 257.362 2.955 20 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CFEDMO CCC[C@@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000248574875 383262586 /nfs/dbraw/zinc/26/25/86/383262586.db2.gz GYAVNLUQTUNTKH-GDBMZVCRSA-N 1 1 279.428 2.695 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000248688802 383281576 /nfs/dbraw/zinc/28/15/76/383281576.db2.gz IJKBFASZRWBRCL-IIAWOOMASA-N 1 1 264.413 2.531 20 30 CFEDMO C#CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248613196 383270965 /nfs/dbraw/zinc/27/09/65/383270965.db2.gz HHDUDUVSMNOYHF-HOTGVXAUSA-N 1 1 284.403 2.598 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000248610929 383271058 /nfs/dbraw/zinc/27/10/58/383271058.db2.gz GIWYBRJUQQLSCN-SOUVJXGZSA-N 1 1 266.429 2.825 20 30 CFEDMO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1ccccc1Cl ZINC000339656018 383276499 /nfs/dbraw/zinc/27/64/99/383276499.db2.gz ZNCTUGFCJKOQSV-NSHDSACASA-N 1 1 291.782 2.553 20 30 CFEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000424841730 383276698 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Cc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000249111068 383327934 /nfs/dbraw/zinc/32/79/34/383327934.db2.gz BHWXRCIVVKXALS-WMLDXEAASA-N 1 1 271.408 2.781 20 30 CFEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(OC)c2)C[C@@H]1C ZINC000449498413 383335923 /nfs/dbraw/zinc/33/59/23/383335923.db2.gz LHLKCTVEGXUQGI-XJKSGUPXSA-N 1 1 288.391 2.814 20 30 CFEDMO CC[N@H+]1CCCC[C@@H]1CNc1c(C#N)cccc1[N+](=O)[O-] ZINC000425220230 383341780 /nfs/dbraw/zinc/34/17/80/383341780.db2.gz BYIZQIAPYFYFDT-CYBMUJFWSA-N 1 1 288.351 2.753 20 30 CFEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2ncc3c(c2C#N)CCC3)C1 ZINC000425226693 383343236 /nfs/dbraw/zinc/34/32/36/383343236.db2.gz IBUFGVJSHSFAHS-AWEZNQCLSA-N 1 1 298.434 2.610 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000249402948 383343612 /nfs/dbraw/zinc/34/36/12/383343612.db2.gz VOKQYRYNNQYMMJ-CZUORRHYSA-N 1 1 281.363 2.548 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339676481 383285216 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CCN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000248843354 383296467 /nfs/dbraw/zinc/29/64/67/383296467.db2.gz MHJWQHJOEFQQGD-SUMWQHHRSA-N 1 1 289.398 2.859 20 30 CFEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000248843354 383296471 /nfs/dbraw/zinc/29/64/71/383296471.db2.gz MHJWQHJOEFQQGD-SUMWQHHRSA-N 1 1 289.398 2.859 20 30 CFEDMO C[C@@H](C1CC1)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000521571048 383300956 /nfs/dbraw/zinc/30/09/56/383300956.db2.gz UXDSHCOSOMRSJM-JTQLQIEISA-N 1 1 259.309 2.697 20 30 CFEDMO C[C@@H](C1CC1)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000521571048 383300960 /nfs/dbraw/zinc/30/09/60/383300960.db2.gz UXDSHCOSOMRSJM-JTQLQIEISA-N 1 1 259.309 2.697 20 30 CFEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2F)CC[C@H]1C ZINC000251441611 383388382 /nfs/dbraw/zinc/38/83/82/383388382.db2.gz BFGYVRWFWWCIHS-IAQYHMDHSA-N 1 1 262.328 2.554 20 30 CFEDMO CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)CC1(C#N)CCC1 ZINC000450349188 383392243 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CC(C)CN1CC[N@@H+](CCCC(C)(C)C#N)[C@H](C)C1=O ZINC000426216408 383395765 /nfs/dbraw/zinc/39/57/65/383395765.db2.gz MVSJYZYJNYNPOU-CQSZACIVSA-N 1 1 279.428 2.505 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cc2c(c(OC)c1)OCO2 ZINC000426550768 383405440 /nfs/dbraw/zinc/40/54/40/383405440.db2.gz CUXMLBAIXKLRCO-CYBMUJFWSA-N 1 1 275.348 2.964 20 30 CFEDMO C[N@H+](CC1(C#N)CCC1)[C@H](CCO)c1ccccc1 ZINC000450434140 383409350 /nfs/dbraw/zinc/40/93/50/383409350.db2.gz COHKSICADWJPLQ-OAHLLOKOSA-N 1 1 258.365 2.736 20 30 CFEDMO C[N@@H+](CC1(C#N)CCC1)[C@H](CCO)c1ccccc1 ZINC000450434140 383409355 /nfs/dbraw/zinc/40/93/55/383409355.db2.gz COHKSICADWJPLQ-OAHLLOKOSA-N 1 1 258.365 2.736 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N[C@H](C)CCCC(C)C ZINC000467286025 383351338 /nfs/dbraw/zinc/35/13/38/383351338.db2.gz OHQJBFNCHALLEA-CQSZACIVSA-N 1 1 254.418 2.825 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000449619105 383357908 /nfs/dbraw/zinc/35/79/08/383357908.db2.gz NJRLZNLFGZULNQ-CYBMUJFWSA-N 1 1 252.402 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CC[C@@](C)(C(=O)OC)[N@@H+](CCCCC#N)CC1CC1 ZINC000425516489 383382934 /nfs/dbraw/zinc/38/29/34/383382934.db2.gz VHCIPCLEMPFJTP-HNNXBMFYSA-N 1 1 266.385 2.734 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425554657 383385095 /nfs/dbraw/zinc/38/50/95/383385095.db2.gz PAQMSAZEOBKTAC-HOTGVXAUSA-N 1 1 279.424 2.595 20 30 CFEDMO N#Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252675006 383427865 /nfs/dbraw/zinc/42/78/65/383427865.db2.gz WSSJGCPUTREPSN-OLZOCXBDSA-N 1 1 286.335 2.505 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000253088521 383442838 /nfs/dbraw/zinc/44/28/38/383442838.db2.gz FKRCHBAZOUXMGF-GVDBMIGSSA-N 1 1 270.376 2.684 20 30 CFEDMO N#CCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253095812 383444457 /nfs/dbraw/zinc/44/44/57/383444457.db2.gz PNVATOIHSVRUOR-KFWWJZLASA-N 1 1 250.386 2.696 20 30 CFEDMO C=CC(C)(C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000450515580 383445673 /nfs/dbraw/zinc/44/56/73/383445673.db2.gz 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CC[N@@H+]1C[C@@H](C)N(C(=O)/C=C\c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000493195394 394176340 /nfs/dbraw/zinc/17/63/40/394176340.db2.gz VBGUTYPQWSNYKX-MHSLGGLXSA-N 1 1 297.402 2.513 20 30 CFEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1ccccn1 ZINC000130242292 394106225 /nfs/dbraw/zinc/10/62/25/394106225.db2.gz WSHKLCJLEZGLTB-GFCCVEGCSA-N 1 1 267.332 2.813 20 30 CFEDMO CN(Cc1ccc(C#N)cc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000439444780 394115353 /nfs/dbraw/zinc/11/53/53/394115353.db2.gz CGRLQPIVVHGNMC-CQSZACIVSA-N 1 1 291.826 2.985 20 30 CFEDMO C[N@@H+](CCCn1ccnc1)Cc1ccc(C#N)cc1Cl ZINC000439441118 394115399 /nfs/dbraw/zinc/11/53/99/394115399.db2.gz PBAJEMQNVIASNW-UHFFFAOYSA-N 1 1 288.782 2.930 20 30 CFEDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439454177 394115641 /nfs/dbraw/zinc/11/56/41/394115641.db2.gz RHTDVWGPKHATMU-OAHLLOKOSA-N 1 1 292.766 2.597 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](CC)c2ccc(F)cc2)C1=O ZINC000282084467 394121048 /nfs/dbraw/zinc/12/10/48/394121048.db2.gz UVXKIHWJEPJZHT-HOTGVXAUSA-N 1 1 290.382 2.996 20 30 CFEDMO CCOc1cccc(C[N@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000131183098 394126955 /nfs/dbraw/zinc/12/69/55/394126955.db2.gz JIKHJVDIGUTVQP-UHFFFAOYSA-N 1 1 281.359 2.984 20 30 CFEDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(C#N)cc2)n1 ZINC000131183098 394126960 /nfs/dbraw/zinc/12/69/60/394126960.db2.gz JIKHJVDIGUTVQP-UHFFFAOYSA-N 1 1 281.359 2.984 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000359235112 394128112 /nfs/dbraw/zinc/12/81/12/394128112.db2.gz YVYQEYWIQFUQOG-QLFBSQMISA-N 1 1 281.444 2.903 20 30 CFEDMO CCC[N@@H+](C)CC(=O)Nc1cccc(OCCCC#N)c1 ZINC000359332072 394129881 /nfs/dbraw/zinc/12/98/81/394129881.db2.gz NPLAIFDKCVLIIV-UHFFFAOYSA-N 1 1 289.379 2.649 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000442858440 394140104 /nfs/dbraw/zinc/14/01/04/394140104.db2.gz HWVRCTWNBJDMKZ-KZNAEPCWSA-N 1 1 283.419 2.790 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000442858440 394140106 /nfs/dbraw/zinc/14/01/06/394140106.db2.gz HWVRCTWNBJDMKZ-KZNAEPCWSA-N 1 1 283.419 2.790 20 30 CFEDMO CC#CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285415358 394142611 /nfs/dbraw/zinc/14/26/11/394142611.db2.gz BPFMNNNSWWELPN-IXDOHACOSA-N 1 1 255.361 2.514 20 30 CFEDMO C[NH+](C)[C@H](C(=O)NCC(C)(C)CCC#N)c1ccccc1 ZINC000360410128 394151033 /nfs/dbraw/zinc/15/10/33/394151033.db2.gz DSCOWEBILJFOAE-HNNXBMFYSA-N 1 1 287.407 2.735 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)cc1F ZINC000421015193 394157346 /nfs/dbraw/zinc/15/73/46/394157346.db2.gz LIUYJUWPEUUYAB-ZDUSSCGKSA-N 1 1 276.355 2.682 20 30 CFEDMO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1nncn1C ZINC000360840284 394160494 /nfs/dbraw/zinc/16/04/94/394160494.db2.gz MYXCZIKZBJWWBP-LRDDRELGSA-N 1 1 295.390 2.805 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000360851430 394160644 /nfs/dbraw/zinc/16/06/44/394160644.db2.gz QRRAPTJPPXUVAL-HNNXBMFYSA-N 1 1 291.439 2.793 20 30 CFEDMO C=CCOc1ccccc1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000361077241 394164844 /nfs/dbraw/zinc/16/48/44/394164844.db2.gz GRHUQRHUWUHYGV-AWEZNQCLSA-N 1 1 297.345 2.701 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000361123032 394166665 /nfs/dbraw/zinc/16/66/65/394166665.db2.gz LQBOPWGWHYOEOP-CQSZACIVSA-N 1 1 289.375 2.873 20 30 CFEDMO C=CCOc1ccc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000361153862 394166804 /nfs/dbraw/zinc/16/68/04/394166804.db2.gz KSJMHUCAHQLQSO-HUUCEWRRSA-N 1 1 274.408 2.776 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)cc1 ZINC000361153862 394166808 /nfs/dbraw/zinc/16/68/08/394166808.db2.gz KSJMHUCAHQLQSO-HUUCEWRRSA-N 1 1 274.408 2.776 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CCN(C)[C@H](C)[C@H]2C)cc1 ZINC000361153862 394166812 /nfs/dbraw/zinc/16/68/12/394166812.db2.gz KSJMHUCAHQLQSO-HUUCEWRRSA-N 1 1 274.408 2.776 20 30 CFEDMO CC[C@@H](C)[N@H+](CC#Cc1ccc(Cl)cc1)CCO ZINC000287293176 394204265 /nfs/dbraw/zinc/20/42/65/394204265.db2.gz IPQZPJOFYOSFSV-CYBMUJFWSA-N 1 1 265.784 2.784 20 30 CFEDMO CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000135130375 394211239 /nfs/dbraw/zinc/21/12/39/394211239.db2.gz RZAMMUCSSSVBTO-MRXNPFEDSA-N 1 1 299.418 2.588 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000135680783 394225053 /nfs/dbraw/zinc/22/50/53/394225053.db2.gz OGYBTEBXIYJMSX-UHFFFAOYSA-N 1 1 273.317 2.818 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000290283667 394228380 /nfs/dbraw/zinc/22/83/80/394228380.db2.gz ZLERBPQBSMXHCZ-SNVBAGLBSA-N 1 1 252.339 2.794 20 30 CFEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@]23CCOC3)cc1 ZINC000367047307 394250604 /nfs/dbraw/zinc/25/06/04/394250604.db2.gz HPHCBXNNWBHANM-GOSISDBHSA-N 1 1 285.387 2.844 20 30 CFEDMO C[C@H](CNCc1ccc(C#N)c(F)c1)[NH+]1CCC(C)CC1 ZINC000421321705 394186849 /nfs/dbraw/zinc/18/68/49/394186849.db2.gz DWCDVVAAOPLUOK-CQSZACIVSA-N 1 1 289.398 2.907 20 30 CFEDMO C[C@@H](CNCc1ccc(C#N)c(F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000421324557 394188380 /nfs/dbraw/zinc/18/83/80/394188380.db2.gz IQVPXQWUDGPAEL-KBPBESRZSA-N 1 1 289.398 2.907 20 30 CFEDMO C[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)N1CCC[C@H](C)C1 ZINC000421324557 394188383 /nfs/dbraw/zinc/18/83/83/394188383.db2.gz IQVPXQWUDGPAEL-KBPBESRZSA-N 1 1 289.398 2.907 20 30 CFEDMO CC(C)C[N@H+]1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000363411664 394195893 /nfs/dbraw/zinc/19/58/93/394195893.db2.gz QNWCCBQPJMBOEK-UHFFFAOYSA-N 1 1 292.814 2.775 20 30 CFEDMO Cc1nc(NCC[N@H+](C)C2CCCC2)ccc1C#N ZINC000291794024 394260702 /nfs/dbraw/zinc/26/07/02/394260702.db2.gz DJFNSTYBVWEKPT-UHFFFAOYSA-N 1 1 258.369 2.548 20 30 CFEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000156257327 394331174 /nfs/dbraw/zinc/33/11/74/394331174.db2.gz BKSYDHBUPAFTOI-HNNXBMFYSA-N 1 1 283.350 2.780 20 30 CFEDMO CC(C)[C@@]1(CO)CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000293193645 394281802 /nfs/dbraw/zinc/28/18/02/394281802.db2.gz WPRNLSKBPRURLX-SFHVURJKSA-N 1 1 289.394 2.908 20 30 CFEDMO C[C@H]([NH2+][C@H](CN)C1CCCC1)c1ccc(C#N)c(F)c1 ZINC000423518587 394288485 /nfs/dbraw/zinc/28/84/85/394288485.db2.gz ZJRXLYBCIREIEJ-MEDUHNTESA-N 1 1 275.371 2.865 20 30 CFEDMO CSC[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000493637375 394297171 /nfs/dbraw/zinc/29/71/71/394297171.db2.gz XICZVVFSTBUTBO-MRXNPFEDSA-N 1 1 292.448 2.740 20 30 CFEDMO C=CCC[C@H](O)CN1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371179961 394298645 /nfs/dbraw/zinc/29/86/45/394298645.db2.gz ZQBPJWWLXZZETE-SJORKVTESA-N 1 1 280.456 2.511 20 30 CFEDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000154842173 394303149 /nfs/dbraw/zinc/30/31/49/394303149.db2.gz DWRKUOIKEGZAER-OAHLLOKOSA-N 1 1 288.391 2.815 20 30 CFEDMO C[C@H]([NH2+]Cc1ncccc1F)c1ccc(C#N)cc1 ZINC000154891250 394303860 /nfs/dbraw/zinc/30/38/60/394303860.db2.gz BTEWGBVOLUBKSX-NSHDSACASA-N 1 1 255.296 2.943 20 30 CFEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000372158032 394307470 /nfs/dbraw/zinc/30/74/70/394307470.db2.gz SKRJPCBOVZQIIA-CVEARBPZSA-N 1 1 273.351 2.536 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000372155276 394307487 /nfs/dbraw/zinc/30/74/87/394307487.db2.gz JVTOXEDOBRWWHC-ZIAGYGMSSA-N 1 1 250.386 2.675 20 30 CFEDMO C=CCCCCNC(=O)N1CCC[N@H+](CC(C)C)CC1 ZINC000372153685 394307603 /nfs/dbraw/zinc/30/76/03/394307603.db2.gz YIHUNQQYNMRFSE-UHFFFAOYSA-N 1 1 281.444 2.716 20 30 CFEDMO CC#CCC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000156591232 394335496 /nfs/dbraw/zinc/33/54/96/394335496.db2.gz AKWDAKAJOJCQJH-UHFFFAOYSA-N 1 1 283.375 2.547 20 30 CFEDMO CC#CCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000156591232 394335498 /nfs/dbraw/zinc/33/54/98/394335498.db2.gz AKWDAKAJOJCQJH-UHFFFAOYSA-N 1 1 283.375 2.547 20 30 CFEDMO COc1ccc(C#N)cc1C[N@@H+]1CCS[C@H](C)C1 ZINC000158190871 394355617 /nfs/dbraw/zinc/35/56/17/394355617.db2.gz PZOFBVTXIYZYHN-LLVKDONJSA-N 1 1 262.378 2.504 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CCS[C@H](C)C1 ZINC000158190871 394355619 /nfs/dbraw/zinc/35/56/19/394355619.db2.gz PZOFBVTXIYZYHN-LLVKDONJSA-N 1 1 262.378 2.504 20 30 CFEDMO CCCCCCC[N@@H+](C)CC(=O)Nc1cc(C)on1 ZINC000172648470 394373899 /nfs/dbraw/zinc/37/38/99/394373899.db2.gz CXBFZPGBYSRYFQ-UHFFFAOYSA-N 1 1 267.373 2.824 20 30 CFEDMO CC(C)C[C@]1(C)CCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000451291293 394374002 /nfs/dbraw/zinc/37/40/02/394374002.db2.gz NRRLKIQLQNNPEN-INIZCTEOSA-N 1 1 279.428 2.649 20 30 CFEDMO N#Cc1ccncc1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000528119996 394393862 /nfs/dbraw/zinc/39/38/62/394393862.db2.gz YMLPGHPCUVHHDP-OAHLLOKOSA-N 1 1 270.380 2.772 20 30 CFEDMO CC(C)(C#N)CCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000174809423 394379958 /nfs/dbraw/zinc/37/99/58/394379958.db2.gz FNAPLONGNBMNGO-UHFFFAOYSA-N 1 1 299.418 2.774 20 30 CFEDMO CCC#C[C@@H](C)[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000685055694 542891305 /nfs/dbraw/zinc/89/13/05/542891305.db2.gz JMMHJTPMGYPIFP-CRAIPNDOSA-N 1 1 289.394 2.855 20 30 CFEDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000453396098 394396167 /nfs/dbraw/zinc/39/61/67/394396167.db2.gz YAFNEEDIXMJVHQ-NSHDSACASA-N 1 1 272.327 2.765 20 30 CFEDMO Cc1cccnc1C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000093170101 135079592 /nfs/dbraw/zinc/07/95/92/135079592.db2.gz UAYHHOFNLQWTPO-UHFFFAOYSA-N 1 1 292.386 2.584 20 30 CFEDMO C[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000538395612 394603180 /nfs/dbraw/zinc/60/31/80/394603180.db2.gz QMRCCTLLKJKIHF-ZIAGYGMSSA-N 1 1 257.381 2.551 20 30 CFEDMO C[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000538395612 394603185 /nfs/dbraw/zinc/60/31/85/394603185.db2.gz QMRCCTLLKJKIHF-ZIAGYGMSSA-N 1 1 257.381 2.551 20 30 CFEDMO C[C@H]1C[C@H](C)[NH+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000548425683 394930856 /nfs/dbraw/zinc/93/08/56/394930856.db2.gz DOAKZPCNJLVOSE-QWRGUYRKSA-N 1 1 268.320 2.591 20 30 CFEDMO CC(C)[N@@H+](C)CC1CCN(c2cccnc2C#N)CC1 ZINC000558592823 395065775 /nfs/dbraw/zinc/06/57/75/395065775.db2.gz JRCPKFVXWNSUPI-UHFFFAOYSA-N 1 1 272.396 2.510 20 30 CFEDMO C=C(CC)CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1CC ZINC000578222382 395094454 /nfs/dbraw/zinc/09/44/54/395094454.db2.gz VRLSNNKXGMICKX-CQSZACIVSA-N 1 1 290.411 2.586 20 30 CFEDMO C=CCOc1cccc(CN2CC[C@H]([NH3+])[C@@H](CC)C2)c1 ZINC000647498245 395362903 /nfs/dbraw/zinc/36/29/03/395362903.db2.gz DBINTGLOYGDFRX-RDJZCZTQSA-N 1 1 274.408 2.811 20 30 CFEDMO C=CCC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC000648922472 395363296 /nfs/dbraw/zinc/36/32/96/395363296.db2.gz NDRAKSVSNFFBLS-ZIAGYGMSSA-N 1 1 264.413 2.722 20 30 CFEDMO C=CCCCC[N@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000649333850 395474003 /nfs/dbraw/zinc/47/40/03/395474003.db2.gz HICLVZCSLMUMFO-MNOVXSKESA-N 1 1 251.292 2.994 20 30 CFEDMO C=CCCCC[N@@H+]1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000649333850 395474006 /nfs/dbraw/zinc/47/40/06/395474006.db2.gz HICLVZCSLMUMFO-MNOVXSKESA-N 1 1 251.292 2.994 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+]1CCS[C@H](c2ccccc2)C1 ZINC000649316934 395472204 /nfs/dbraw/zinc/47/22/04/395472204.db2.gz AYCXVXSZDCHJFD-CABCVRRESA-N 1 1 263.406 2.714 20 30 CFEDMO C=CCCCC[N@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000649588966 395533739 /nfs/dbraw/zinc/53/37/39/395533739.db2.gz RRQNNVBJLYCXFK-WDEREUQCSA-N 1 1 251.292 2.994 20 30 CFEDMO C=CCCCC[N@@H+]1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000649588966 395533742 /nfs/dbraw/zinc/53/37/42/395533742.db2.gz RRQNNVBJLYCXFK-WDEREUQCSA-N 1 1 251.292 2.994 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649901558 395587651 /nfs/dbraw/zinc/58/76/51/395587651.db2.gz OLMBIDWJQXIYCF-TZMCWYRMSA-N 1 1 286.366 2.531 20 30 CFEDMO C=CCC1(C(=O)NCCC[N@H+](C)CC(C)C)CCC1 ZINC000650181305 395622894 /nfs/dbraw/zinc/62/28/94/395622894.db2.gz DOLVOJOQOYEQMY-UHFFFAOYSA-N 1 1 266.429 2.827 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000191633428 543079490 /nfs/dbraw/zinc/07/94/90/543079490.db2.gz USBKAHSQDHWKOW-LSDHHAIUSA-N 1 1 292.398 2.663 20 30 CFEDMO C=C(C)C[N@@H+](CC)C[C@H](O)COc1ccc(C)cc1C ZINC000046342205 397581236 /nfs/dbraw/zinc/58/12/36/397581236.db2.gz QIPCMPOYMAEDMD-INIZCTEOSA-N 1 1 277.408 2.941 20 30 CFEDMO C=C(C)C[N@@H+](CC)C[C@H](O)COc1c(C)cccc1C ZINC000046342186 397581335 /nfs/dbraw/zinc/58/13/35/397581335.db2.gz ZIVGTYYWURTHKB-INIZCTEOSA-N 1 1 277.408 2.941 20 30 CFEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000046438285 397581346 /nfs/dbraw/zinc/58/13/46/397581346.db2.gz IZRLKYDHVXLONL-RBSFLKMASA-N 1 1 264.413 2.601 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC(=O)CC)c(OCC)c1 ZINC000491783854 397581831 /nfs/dbraw/zinc/58/18/31/397581831.db2.gz OFUMDYNEZTZDPQ-CYBMUJFWSA-N 1 1 289.375 2.854 20 30 CFEDMO CC(C)c1[nH+]ccn1CCC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000338373907 397650624 /nfs/dbraw/zinc/65/06/24/397650624.db2.gz JLJHZUDCTSVKOX-CYBMUJFWSA-N 1 1 288.395 2.547 20 30 CFEDMO COc1ccc(C[N@@H+]2CCOC[C@@H]2CC(C)C)cc1C#N ZINC000135080650 397604049 /nfs/dbraw/zinc/60/40/49/397604049.db2.gz DEQIXGXXCLCQDE-INIZCTEOSA-N 1 1 288.391 2.814 20 30 CFEDMO COc1ccc(C[N@H+]2CCOC[C@@H]2CC(C)C)cc1C#N ZINC000135080650 397604051 /nfs/dbraw/zinc/60/40/51/397604051.db2.gz DEQIXGXXCLCQDE-INIZCTEOSA-N 1 1 288.391 2.814 20 30 CFEDMO Cn1cc[nH+]c1C[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000301721626 397639250 /nfs/dbraw/zinc/63/92/50/397639250.db2.gz QTYGVUZPEURJQS-AWEZNQCLSA-N 1 1 298.365 2.890 20 30 CFEDMO C=CCC1(C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CCCCC1 ZINC000650511686 397817647 /nfs/dbraw/zinc/81/76/47/397817647.db2.gz DQALUFJNZVCFSA-HUUCEWRRSA-N 1 1 276.424 2.676 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000356053766 155151555 /nfs/dbraw/zinc/15/15/55/155151555.db2.gz AZQZSSAZXHJNLE-GFCCVEGCSA-N 1 1 298.308 2.781 20 30 CFEDMO C=CCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000663455845 413210129 /nfs/dbraw/zinc/21/01/29/413210129.db2.gz VIRFHAYVFKBMRA-CQSZACIVSA-N 1 1 295.814 2.818 20 30 CFEDMO C=CCN(C)CC[N@H+](CC)Cc1ccc(-n2cccn2)cc1 ZINC000411634723 413234669 /nfs/dbraw/zinc/23/46/69/413234669.db2.gz AQDIPDBAOIPBOV-UHFFFAOYSA-N 1 1 298.434 2.812 20 30 CFEDMO C=CC[N@@H+](C)CCN(CC)Cc1ccc(-n2cccn2)cc1 ZINC000411634723 413234676 /nfs/dbraw/zinc/23/46/76/413234676.db2.gz 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ZINC000044895563 175273535 /nfs/dbraw/zinc/27/35/35/175273535.db2.gz NVSCMNGXGYLYRL-AWEZNQCLSA-N 1 1 278.783 2.779 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000171629163 335072907 /nfs/dbraw/zinc/07/29/07/335072907.db2.gz GCXGKMQANHKHDB-UHFFFAOYSA-N 1 1 251.301 2.700 20 30 CFEDMO C[C@@H]1C[C@@H](C(=O)N(CCC#N)CC(C)(C)C)CC[N@H+]1C ZINC000355362780 297195393 /nfs/dbraw/zinc/19/53/93/297195393.db2.gz YGHRINSILQBODF-KGLIPLIRSA-N 1 1 279.428 2.505 20 30 CFEDMO CC[N@@H+](CCOc1ccc(C#N)cc1OC)CC1CC1 ZINC000077313112 177251623 /nfs/dbraw/zinc/25/16/23/177251623.db2.gz KYDJLGAKPGYPBC-UHFFFAOYSA-N 1 1 274.364 2.678 20 30 CFEDMO C[C@@H](C[N@@H+](CC1(C#N)CC1)[C@@H](C)CO)c1ccccc1 ZINC000347466998 226164110 /nfs/dbraw/zinc/16/41/10/226164110.db2.gz ZWKNCWDUGBJHDH-GJZGRUSLSA-N 1 1 272.392 2.777 20 30 CFEDMO N#CC1(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)CC1 ZINC000352803632 227238571 /nfs/dbraw/zinc/23/85/71/227238571.db2.gz VUGBZXVVZQCKAM-UHFFFAOYSA-N 1 1 298.312 2.843 20 30 CFEDMO O=C(Nc1cccc(-c2c[nH]nn2)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330262377 228084696 /nfs/dbraw/zinc/08/46/96/228084696.db2.gz UXLMVANNGSHQHL-HNNXBMFYSA-N 1 1 297.362 2.687 20 30 CFEDMO N#CCc1ccc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cc1 ZINC000826738090 782026872 /nfs/dbraw/zinc/02/68/72/782026872.db2.gz UTZSRFAHGJPTSP-JKSUJKDBSA-N 1 1 283.375 2.708 20 30 CFEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)N(C)C)c1ccc(F)c(F)c1 ZINC000187774391 260057045 /nfs/dbraw/zinc/05/70/45/260057045.db2.gz NPIQWCUAJGQLLA-QMTHXVAHSA-N 1 1 282.334 2.648 20 30 CFEDMO C=CCOc1ccccc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000037408290 260101433 /nfs/dbraw/zinc/10/14/33/260101433.db2.gz IWMWEUOTWLCLOL-HNNXBMFYSA-N 1 1 286.419 2.825 20 30 CFEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000117943132 260117280 /nfs/dbraw/zinc/11/72/80/260117280.db2.gz RSWRFNLZZNNBPL-VHSXEESVSA-N 1 1 299.201 2.782 20 30 CFEDMO CC(C)[C@@H]1CCC[N@@H+](CCC(=O)N(C)CCC#N)CC1 ZINC000079342157 260175661 /nfs/dbraw/zinc/17/56/61/260175661.db2.gz UMGZETOLSFCNFZ-OAHLLOKOSA-N 1 1 279.428 2.507 20 30 CFEDMO Cc1cc(C[NH2+]CCC#N)ccc1Br ZINC000085706688 260205060 /nfs/dbraw/zinc/20/50/60/260205060.db2.gz ITNYRNHFJZTCJU-UHFFFAOYSA-N 1 1 253.143 2.761 20 30 CFEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC[C@H](C)CC1 ZINC000068830192 260226247 /nfs/dbraw/zinc/22/62/47/260226247.db2.gz JJWHWODPMGKJLG-GJZGRUSLSA-N 1 1 291.439 2.840 20 30 CFEDMO CC(C)CNC(=O)c1cccc(C[NH+]2CCC(C#N)CC2)c1 ZINC000066830637 260249250 /nfs/dbraw/zinc/24/92/50/260249250.db2.gz WWHBGJWQOQFADN-UHFFFAOYSA-N 1 1 299.418 2.808 20 30 CFEDMO Cc1ccccc1OCC[N@@H+](C)C[C@H](C#N)CCC#N ZINC000070869788 260270802 /nfs/dbraw/zinc/27/08/02/260270802.db2.gz AVRPDQWUJPXESY-HNNXBMFYSA-N 1 1 271.364 2.749 20 30 CFEDMO Cc1ccccc1OCC[N@H+](C)C[C@H](C#N)CCC#N ZINC000070869788 260270803 /nfs/dbraw/zinc/27/08/03/260270803.db2.gz AVRPDQWUJPXESY-HNNXBMFYSA-N 1 1 271.364 2.749 20 30 CFEDMO C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072875623 260278882 /nfs/dbraw/zinc/27/88/82/260278882.db2.gz CZLKWMQOHIHCIK-GFCCVEGCSA-N 1 1 289.404 2.725 20 30 CFEDMO C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000072875623 260278883 /nfs/dbraw/zinc/27/88/83/260278883.db2.gz CZLKWMQOHIHCIK-GFCCVEGCSA-N 1 1 289.404 2.725 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000076800057 260294433 /nfs/dbraw/zinc/29/44/33/260294433.db2.gz JSBPCBZARJNVPM-CYBMUJFWSA-N 1 1 291.370 2.581 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000076800057 260294435 /nfs/dbraw/zinc/29/44/35/260294435.db2.gz JSBPCBZARJNVPM-CYBMUJFWSA-N 1 1 291.370 2.581 20 30 CFEDMO C=CCCC[C@H](C)[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000518306122 260372351 /nfs/dbraw/zinc/37/23/51/260372351.db2.gz JPKLTSBKZNTTQS-CAOSSQGBSA-N 1 1 267.413 3.000 20 30 CFEDMO C[C@H](O)C[N@@H+](CCC(C)(C)C#N)C1CCCCC1 ZINC000119621240 260631154 /nfs/dbraw/zinc/63/11/54/260631154.db2.gz JNWKNSLKPMHEKI-ZDUSSCGKSA-N 1 1 252.402 2.942 20 30 CFEDMO CSc1ccc(NC(=O)[C@@H](C)O[NH+]=C(N)C(C)C)cc1 ZINC000128457181 260817112 /nfs/dbraw/zinc/81/71/12/260817112.db2.gz QNUHHVLROZNLGC-SNVBAGLBSA-N 1 1 295.408 2.680 20 30 CFEDMO C=CCn1cccc1C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000490014577 260944083 /nfs/dbraw/zinc/94/40/83/260944083.db2.gz FSFLWIKYKMBARO-LSDHHAIUSA-N 1 1 289.423 2.619 20 30 CFEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC000448765015 261147411 /nfs/dbraw/zinc/14/74/11/261147411.db2.gz WAHRJXDKDZIPRW-AWEZNQCLSA-N 1 1 264.413 2.581 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000444771822 261171864 /nfs/dbraw/zinc/17/18/64/261171864.db2.gz KTUXTEPAWOHSJI-OAHLLOKOSA-N 1 1 266.429 2.779 20 30 CFEDMO N#C[C@@H]1CCC[C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000361465049 261281153 /nfs/dbraw/zinc/28/11/53/261281153.db2.gz TXGKUVORNJWBQU-QLFBSQMISA-N 1 1 261.413 2.675 20 30 CFEDMO N#C[C@@H]1CCC[C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000361465049 261281155 /nfs/dbraw/zinc/28/11/55/261281155.db2.gz TXGKUVORNJWBQU-QLFBSQMISA-N 1 1 261.413 2.675 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC)CC1CCC1 ZINC000361482036 261290976 /nfs/dbraw/zinc/29/09/76/261290976.db2.gz TYOAERXKGQNCBZ-CQSZACIVSA-N 1 1 264.413 2.698 20 30 CFEDMO C#CC[N@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000491048064 261311707 /nfs/dbraw/zinc/31/17/07/261311707.db2.gz WSWRGJJHUAFWFG-CQSZACIVSA-N 1 1 292.423 2.731 20 30 CFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C#N)cc1 ZINC000177345762 261348717 /nfs/dbraw/zinc/34/87/17/261348717.db2.gz OINPJJKNIOIOKK-SJORKVTESA-N 1 1 269.392 2.617 20 30 CFEDMO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C#N)cc1 ZINC000177345762 261348721 /nfs/dbraw/zinc/34/87/21/261348721.db2.gz OINPJJKNIOIOKK-SJORKVTESA-N 1 1 269.392 2.617 20 30 CFEDMO CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C#N)cc1 ZINC000177345762 261348723 /nfs/dbraw/zinc/34/87/23/261348723.db2.gz OINPJJKNIOIOKK-SJORKVTESA-N 1 1 269.392 2.617 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1cn(-c2cccc(F)c2)nc1C ZINC000491266980 261394546 /nfs/dbraw/zinc/39/45/46/261394546.db2.gz RLBNYKCNKOMNLF-LBPRGKRZSA-N 1 1 271.339 2.773 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cn(-c2cccc(F)c2)nc1C ZINC000491266980 261394548 /nfs/dbraw/zinc/39/45/48/261394548.db2.gz RLBNYKCNKOMNLF-LBPRGKRZSA-N 1 1 271.339 2.773 20 30 CFEDMO Cc1[nH+]ccn1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000175531058 261611864 /nfs/dbraw/zinc/61/18/64/261611864.db2.gz VKKLLZAJMMOKRY-UHFFFAOYSA-N 1 1 296.374 2.755 20 30 CFEDMO C[C@@H]([NH2+]CCCC#N)c1nc(-c2cccc(F)c2)no1 ZINC000185079945 262040348 /nfs/dbraw/zinc/04/03/48/262040348.db2.gz CRRWCPWSAFSDTJ-SNVBAGLBSA-N 1 1 274.299 2.830 20 30 CFEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C(F)(F)F ZINC000185182284 262044943 /nfs/dbraw/zinc/04/49/43/262044943.db2.gz IETOCANHCUWHFD-CYBMUJFWSA-N 1 1 286.297 2.693 20 30 CFEDMO CN(C[C@H]1CCC[N@H+]1CCCC#N)c1ccccc1 ZINC000364043569 262117612 /nfs/dbraw/zinc/11/76/12/262117612.db2.gz UXGNTEMWWWFZOQ-MRXNPFEDSA-N 1 1 257.381 2.891 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000497298271 262137828 /nfs/dbraw/zinc/13/78/28/262137828.db2.gz MLCGHZOIMABBPW-STQMWFEESA-N 1 1 268.401 2.940 20 30 CFEDMO C[N@H+](CC1(C#N)CCC1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000497315482 262141980 /nfs/dbraw/zinc/14/19/80/262141980.db2.gz QHMUUSIAYMVWKI-UHFFFAOYSA-N 1 1 293.411 2.668 20 30 CFEDMO C[N@@H+](CC1(C#N)CCC1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000497315482 262141982 /nfs/dbraw/zinc/14/19/82/262141982.db2.gz QHMUUSIAYMVWKI-UHFFFAOYSA-N 1 1 293.411 2.668 20 30 CFEDMO CC#CC[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)c(Cl)c1 ZINC000364476879 262248520 /nfs/dbraw/zinc/24/85/20/262248520.db2.gz MGPWJXHKCGQQPC-OAHLLOKOSA-N 1 1 291.757 2.915 20 30 CFEDMO N#CCC[N@@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000364527903 262253081 /nfs/dbraw/zinc/25/30/81/262253081.db2.gz CEQRMFAKBASAIV-ZDUSSCGKSA-N 1 1 254.337 2.587 20 30 CFEDMO N#CCC[N@H+]1CCC[C@H](n2cnc3ccccc32)C1 ZINC000364527903 262253083 /nfs/dbraw/zinc/25/30/83/262253083.db2.gz CEQRMFAKBASAIV-ZDUSSCGKSA-N 1 1 254.337 2.587 20 30 CFEDMO N#CCSCCC[N@H+]1CCC[C@@]2(CCCCO2)C1 ZINC000364619318 262256358 /nfs/dbraw/zinc/25/63/58/262256358.db2.gz RNCVVNXQJXNYFP-AWEZNQCLSA-N 1 1 268.426 2.668 20 30 CFEDMO CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)N(CC)CCC#N)C1CC1 ZINC000111226852 262258312 /nfs/dbraw/zinc/25/83/12/262258312.db2.gz YGNPAWDWKAOKEB-UONOGXRCSA-N 1 1 279.428 2.648 20 30 CFEDMO C=CC1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000111258732 262258681 /nfs/dbraw/zinc/25/86/81/262258681.db2.gz HVOJGTLUMRCPOO-GFCCVEGCSA-N 1 1 283.375 2.882 20 30 CFEDMO C[N@@H+](CCCC#N)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000495481995 262277733 /nfs/dbraw/zinc/27/77/33/262277733.db2.gz TXOSPPNWHVDMHH-ZDUSSCGKSA-N 1 1 281.400 2.525 20 30 CFEDMO C=CCC1(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2CC)CCC1 ZINC000365214157 262351723 /nfs/dbraw/zinc/35/17/23/262351723.db2.gz JTVMETXXCWXVGS-CABCVRRESA-N 1 1 276.424 2.818 20 30 CFEDMO C=CC[N@@H+]1CC[C@@]2(CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000365226315 262352717 /nfs/dbraw/zinc/35/27/17/262352717.db2.gz IEQBCVFAJMRWQV-CJNGLKHVSA-N 1 1 280.412 2.942 20 30 CFEDMO C=CC1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000111632054 262353692 /nfs/dbraw/zinc/35/36/92/262353692.db2.gz FICZOXWKTIHLII-HNNXBMFYSA-N 1 1 298.430 2.858 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000365252475 262355222 /nfs/dbraw/zinc/35/52/22/262355222.db2.gz BPJRSQOGNKDMPP-DLBZAZTESA-N 1 1 255.361 2.682 20 30 CFEDMO C#CCCCC(=O)N[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000365268859 262356822 /nfs/dbraw/zinc/35/68/22/262356822.db2.gz UXMUKHUEPXTAJH-OAHLLOKOSA-N 1 1 276.424 2.703 20 30 CFEDMO C[C@@H]1CCC[C@@H](CO)[N@H+]1CCCCC(C)(C)C#N ZINC000336784477 262394559 /nfs/dbraw/zinc/39/45/59/262394559.db2.gz QHRCPXJDZKICJT-KGLIPLIRSA-N 1 1 252.402 2.942 20 30 CFEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@H]1CCN(C2CC2)C1 ZINC000336806338 262395775 /nfs/dbraw/zinc/39/57/75/262395775.db2.gz SYHVYFXJCAYKRP-HNNXBMFYSA-N 1 1 263.429 2.875 20 30 CFEDMO C[C@H](c1cnccn1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000184407832 269889144 /nfs/dbraw/zinc/88/91/44/269889144.db2.gz ROSFCHDKJOSCTJ-GFCCVEGCSA-N 1 1 252.321 2.541 20 30 CFEDMO C[C@H](c1cnccn1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000184407832 269889145 /nfs/dbraw/zinc/88/91/45/269889145.db2.gz ROSFCHDKJOSCTJ-GFCCVEGCSA-N 1 1 252.321 2.541 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2Cc2ccccc2C)C1=O ZINC000337195159 262431987 /nfs/dbraw/zinc/43/19/87/262431987.db2.gz VSNYIJHSBLAPIY-ZWKOTPCHSA-N 1 1 298.430 2.789 20 30 CFEDMO Cc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)ccc1C#N ZINC000488098257 269913544 /nfs/dbraw/zinc/91/35/44/269913544.db2.gz IDFGBSYUQDQNHH-XJKSGUPXSA-N 1 1 258.365 2.602 20 30 CFEDMO CCC(=O)N[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411214645 262684036 /nfs/dbraw/zinc/68/40/36/262684036.db2.gz BCIZLYTWDNUDGV-OAHLLOKOSA-N 1 1 291.439 2.841 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000411332131 262689477 /nfs/dbraw/zinc/68/94/77/262689477.db2.gz MYTIWPKDVXJTFQ-HOTGVXAUSA-N 1 1 299.418 2.821 20 30 CFEDMO CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc2c(c1)OCCO2 ZINC000271687481 262997891 /nfs/dbraw/zinc/99/78/91/262997891.db2.gz PQJFDGAXMMGTAB-UKRRQHHQSA-N 1 1 299.374 2.942 20 30 CFEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CCCC[C@@H]1O ZINC000272498264 263005507 /nfs/dbraw/zinc/00/55/07/263005507.db2.gz INSKFPBMQMFIPW-WBVHZDCISA-N 1 1 288.391 2.572 20 30 CFEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)N(CC)C[C@H](C)C#N)C1 ZINC000451956869 263013981 /nfs/dbraw/zinc/01/39/81/263013981.db2.gz SFEZPVCAFGNARJ-QLFBSQMISA-N 1 1 279.428 2.505 20 30 CFEDMO COc1ccccc1-c1noc([C@@H](C)[NH2+]CCCC#N)n1 ZINC000273440899 263016920 /nfs/dbraw/zinc/01/69/20/263016920.db2.gz ZJTYEYRTVZWELF-LLVKDONJSA-N 1 1 286.335 2.700 20 30 CFEDMO C=C(CC)C[N@H+](CC)CC(=O)N1CCCCCC1 ZINC000353191406 263052660 /nfs/dbraw/zinc/05/26/60/263052660.db2.gz KBNSMFUKPWKUAT-UHFFFAOYSA-N 1 1 252.402 2.677 20 30 CFEDMO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)CCC#N)c1C ZINC000276336552 263036517 /nfs/dbraw/zinc/03/65/17/263036517.db2.gz 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CCC[N@@H+](Cc1cccc(C(=O)OC)c1C#N)C(C)C ZINC000564667159 290223159 /nfs/dbraw/zinc/22/31/59/290223159.db2.gz SECXGPJQLHJDCV-UHFFFAOYSA-N 1 1 274.364 2.965 20 30 CFEDMO C[C@@H]1CCC[C@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)C1 ZINC000564989316 290255290 /nfs/dbraw/zinc/25/52/90/290255290.db2.gz YMGNFJQIYOBBQD-DOMZBBRYSA-N 1 1 283.379 2.611 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@H]2Cc2ccccc2)nc1 ZINC000566415063 290380199 /nfs/dbraw/zinc/38/01/99/290380199.db2.gz XWSBYRCHSPHHMZ-KRWDZBQOSA-N 1 1 263.344 2.770 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1 ZINC001085457019 782059707 /nfs/dbraw/zinc/05/97/07/782059707.db2.gz YYLFYILNOQTPJR-HNNXBMFYSA-N 1 1 276.355 2.548 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1C ZINC001085460181 782061628 /nfs/dbraw/zinc/06/16/28/782061628.db2.gz AGLWSJGEZFRJCT-HNNXBMFYSA-N 1 1 272.392 2.717 20 30 CFEDMO C[C@H](NC(=O)CC(C)(C)C#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000355916203 299037827 /nfs/dbraw/zinc/03/78/27/299037827.db2.gz 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CCC[N@H+](C)C[C@@H]1CCN(CCC(C)(C)C#N)C1 ZINC000119695474 327247726 /nfs/dbraw/zinc/24/77/26/327247726.db2.gz OSPCLZANZHJGSV-AWEZNQCLSA-N 1 1 251.418 2.590 20 30 CFEDMO CCC[N@@H+](C)C[C@@H]1CCN(CCC(C)(C)C#N)C1 ZINC000119695474 327247728 /nfs/dbraw/zinc/24/77/28/327247728.db2.gz OSPCLZANZHJGSV-AWEZNQCLSA-N 1 1 251.418 2.590 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000560026784 327278396 /nfs/dbraw/zinc/27/83/96/327278396.db2.gz SLBSAEYNLIEYDX-RDJZCZTQSA-N 1 1 275.392 2.605 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C ZINC000560026782 327278431 /nfs/dbraw/zinc/27/84/31/327278431.db2.gz SLBSAEYNLIEYDX-NVXWUHKLSA-N 1 1 275.392 2.605 20 30 CFEDMO C=CCCCCCNC(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000566431632 327361815 /nfs/dbraw/zinc/36/18/15/327361815.db2.gz VXWWOWDWOOXCSD-OAHLLOKOSA-N 1 1 281.444 2.764 20 30 CFEDMO C=C(C)CN1CCC([NH2+]Cc2ccc(OC)cc2F)CC1 ZINC000583445613 327370782 /nfs/dbraw/zinc/37/07/82/327370782.db2.gz UEOUFNSOEMVWTL-UHFFFAOYSA-N 1 1 292.398 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ZINC000181281809 329229282 /nfs/dbraw/zinc/22/92/82/329229282.db2.gz XYYKNYQSPXVHLB-CYBMUJFWSA-N 1 1 276.380 2.920 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000181302652 329230584 /nfs/dbraw/zinc/23/05/84/329230584.db2.gz XTTWCNWKLGFBEU-MJBXVCDLSA-N 1 1 252.402 2.578 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1OC ZINC000181309323 329230884 /nfs/dbraw/zinc/23/08/84/329230884.db2.gz WXJNGUPGJSWPKJ-KGLIPLIRSA-N 1 1 290.407 2.769 20 30 CFEDMO C=C(C)C[N@@H+](C)Cc1cc(C(=O)OC)ccc1F ZINC000182122961 329239883 /nfs/dbraw/zinc/23/98/83/329239883.db2.gz KUNPDPLZICUQMO-UHFFFAOYSA-N 1 1 251.301 2.620 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1cc(C(=O)OC)ccc1F ZINC000182122961 329239884 /nfs/dbraw/zinc/23/98/84/329239884.db2.gz KUNPDPLZICUQMO-UHFFFAOYSA-N 1 1 251.301 2.620 20 30 CFEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000182502502 329242641 /nfs/dbraw/zinc/24/26/41/329242641.db2.gz YLGUCZQGSYICIT-JONQDZQNSA-N 1 1 291.439 2.505 20 30 CFEDMO N#CCCCC[NH+]1CCC(CCCN2CCOCC2)CC1 ZINC000182965974 329246060 /nfs/dbraw/zinc/24/60/60/329246060.db2.gz NKZLUGISYLLPSA-UHFFFAOYSA-N 1 1 293.455 2.505 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000185136888 329266450 /nfs/dbraw/zinc/26/64/50/329266450.db2.gz GIWYBRJUQQLSCN-KKUMJFAQSA-N 1 1 266.429 2.825 20 30 CFEDMO C=C(C)C[NH2+][C@H](C)c1nc(-c2cccc(OC)c2)no1 ZINC000185117550 329268606 /nfs/dbraw/zinc/26/86/06/329268606.db2.gz IOUSRAQYGKPGJV-LLVKDONJSA-N 1 1 273.336 2.972 20 30 CFEDMO CC(C)[NH+](CCN[C@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000185753192 329330882 /nfs/dbraw/zinc/33/08/82/329330882.db2.gz CJROXMQEWKNGJM-CABCVRRESA-N 1 1 251.418 2.777 20 30 CFEDMO CC(C)CN1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185772666 329331521 /nfs/dbraw/zinc/33/15/21/329331521.db2.gz OZZXJLZDGQTGOU-ZBFHGGJFSA-N 1 1 263.429 2.779 20 30 CFEDMO C[C@@H](C#N)C[N@H+](C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000228050707 329335335 /nfs/dbraw/zinc/33/53/35/329335335.db2.gz KMGMJKOAMORSQM-KBPBESRZSA-N 1 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XNZKADGABSJILG-LSDHHAIUSA-N 1 1 293.455 2.857 20 30 CFEDMO C#CC[N@@H+](CC)Cc1cc(-c2ccc(F)cc2)no1 ZINC000490739934 332110604 /nfs/dbraw/zinc/11/06/04/332110604.db2.gz HZLGOXQWKZAHSS-UHFFFAOYSA-N 1 1 258.296 2.936 20 30 CFEDMO C#CC[N@H+](CC)Cc1cc(-c2ccc(F)cc2)no1 ZINC000490739934 332110605 /nfs/dbraw/zinc/11/06/05/332110605.db2.gz HZLGOXQWKZAHSS-UHFFFAOYSA-N 1 1 258.296 2.936 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CCOC)C[C@H](C)CC(C)C)n1 ZINC000490803433 332116938 /nfs/dbraw/zinc/11/69/38/332116938.db2.gz MTTQHUAIWRFNAO-MRXNPFEDSA-N 1 1 291.439 2.647 20 30 CFEDMO C#CCN(C(=O)CCn1cc[nH+]c1C(C)C)C1CCCC1 ZINC000490804150 332117075 /nfs/dbraw/zinc/11/70/75/332117075.db2.gz UDCLCQRTHGIXCE-UHFFFAOYSA-N 1 1 287.407 2.801 20 30 CFEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000490853085 332121050 /nfs/dbraw/zinc/12/10/50/332121050.db2.gz PZSWELQQWHCRHW-LBPRGKRZSA-N 1 1 276.405 2.691 20 30 CFEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1SC ZINC000490853085 332121052 /nfs/dbraw/zinc/12/10/52/332121052.db2.gz PZSWELQQWHCRHW-LBPRGKRZSA-N 1 1 276.405 2.691 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CCCCC(=O)OC(C)(C)C ZINC000491071397 332146211 /nfs/dbraw/zinc/14/62/11/332146211.db2.gz KPGOPNWBGLSOKM-UHFFFAOYSA-N 1 1 253.386 2.842 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(O)c2nc(C)ccc12 ZINC000491191470 332162650 /nfs/dbraw/zinc/16/26/50/332162650.db2.gz DPFWWASHZKFVHO-LBPRGKRZSA-N 1 1 254.333 2.702 20 30 CFEDMO C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CCC#N)CC1 ZINC000491254233 332175048 /nfs/dbraw/zinc/17/50/48/332175048.db2.gz DPRNFOVCRWXAPL-GFCCVEGCSA-N 1 1 281.400 2.525 20 30 CFEDMO C#C[C@H](C)[N@H+](C)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000491289087 332182598 /nfs/dbraw/zinc/18/25/98/332182598.db2.gz WOEMWOMSKYKSAL-HEHGZKQESA-N 1 1 295.810 2.732 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000491464808 332216831 /nfs/dbraw/zinc/21/68/31/332216831.db2.gz UACFHRXUQPFHQH-CQSZACIVSA-N 1 1 272.392 2.526 20 30 CFEDMO C[C@@H](CNCc1cccc(OCCCC#N)c1)C[NH+](C)C ZINC000491590467 332241823 /nfs/dbraw/zinc/24/18/23/332241823.db2.gz AGXWBQLVSCMNPO-HNNXBMFYSA-N 1 1 289.423 2.656 20 30 CFEDMO C#CC[N@@H+](CC(=O)Nc1c(F)cccc1F)C1CCCC1 ZINC000491630510 332253294 /nfs/dbraw/zinc/25/32/94/332253294.db2.gz PHVCXAVKXCGZEE-UHFFFAOYSA-N 1 1 292.329 2.781 20 30 CFEDMO C#CC[N@H+](CC(=O)Nc1c(F)cccc1F)C1CCCC1 ZINC000491630510 332253295 /nfs/dbraw/zinc/25/32/95/332253295.db2.gz PHVCXAVKXCGZEE-UHFFFAOYSA-N 1 1 292.329 2.781 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)CCc2ncc(C)cc2C)n1 ZINC000491631729 332254231 /nfs/dbraw/zinc/25/42/31/332254231.db2.gz YVTMFRMVIQDVKB-UHFFFAOYSA-N 1 1 296.418 2.593 20 30 CFEDMO C#CCNC(=O)CC[N@H+]1CC(C)(C)C[C@H]1c1ccccc1 ZINC000491641465 332260917 /nfs/dbraw/zinc/26/09/17/332260917.db2.gz RCEQWALNMRYBGP-INIZCTEOSA-N 1 1 284.403 2.599 20 30 CFEDMO C#C[C@H](C)[N@H+](C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000491671737 332278482 /nfs/dbraw/zinc/27/84/82/332278482.db2.gz XJEIVLBFAZDALD-KBPBESRZSA-N 1 1 298.386 2.906 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000491671737 332278483 /nfs/dbraw/zinc/27/84/83/332278483.db2.gz XJEIVLBFAZDALD-KBPBESRZSA-N 1 1 298.386 2.906 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000491672237 332278861 /nfs/dbraw/zinc/27/88/61/332278861.db2.gz OWIMGOHGGGDXOJ-KGLIPLIRSA-N 1 1 280.412 2.587 20 30 CFEDMO C#C[C@@H](CC)[NH2+]Cc1c(C)nn(-c2ccccn2)c1Cl ZINC000491675355 332280988 /nfs/dbraw/zinc/28/09/88/332280988.db2.gz XADZXNABJBHBRV-LBPRGKRZSA-N 1 1 288.782 2.731 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(-c2ncco2)cc1F ZINC000491676038 332281647 /nfs/dbraw/zinc/28/16/47/332281647.db2.gz NMBNWLPPPMDJTD-LLVKDONJSA-N 1 1 258.296 2.934 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(-c2ncco2)cc1F ZINC000491676038 332281649 /nfs/dbraw/zinc/28/16/49/332281649.db2.gz NMBNWLPPPMDJTD-LLVKDONJSA-N 1 1 258.296 2.934 20 30 CFEDMO C#CC[N@H+](Cc1ccc(OCOCC)cc1)C1CC1 ZINC000491676425 332281896 /nfs/dbraw/zinc/28/18/96/332281896.db2.gz WLBJFSMDCHRQEO-UHFFFAOYSA-N 1 1 259.349 2.657 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cnc2cnccn12)c1ccc(Cl)cc1 ZINC000491723594 332308403 /nfs/dbraw/zinc/30/84/03/332308403.db2.gz BZUHFMLSVQETKM-HNNXBMFYSA-N 1 1 296.761 2.847 20 30 CFEDMO C#CC[N@@H+](Cc1cc(C)ncn1)[C@H]1CCc2ccccc21 ZINC000491730721 332312504 /nfs/dbraw/zinc/31/25/04/332312504.db2.gz KYPRSTABRFPBGB-SFHVURJKSA-N 1 1 277.371 2.908 20 30 CFEDMO C#CC[N@H+](Cc1cc(C)ncn1)[C@H]1CCc2ccccc21 ZINC000491730721 332312505 /nfs/dbraw/zinc/31/25/05/332312505.db2.gz KYPRSTABRFPBGB-SFHVURJKSA-N 1 1 277.371 2.908 20 30 CFEDMO C#C[C@H](CC)NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000491732180 332313599 /nfs/dbraw/zinc/31/35/99/332313599.db2.gz HGJQWJHPCJVXOL-USXIJHARSA-N 1 1 299.418 2.533 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000491732713 332314020 /nfs/dbraw/zinc/31/40/20/332314020.db2.gz CCWRVSASSRDPLQ-JTQLQIEISA-N 1 1 269.266 2.885 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(C(=O)C(F)(F)F)c1 ZINC000491732713 332314021 /nfs/dbraw/zinc/31/40/21/332314021.db2.gz CCWRVSASSRDPLQ-JTQLQIEISA-N 1 1 269.266 2.885 20 30 CFEDMO C#CCn1ccc(C[N@H+](CC)CC(C)(C)CCC#N)n1 ZINC000491744476 332322564 /nfs/dbraw/zinc/32/25/64/332322564.db2.gz MCRFNZONAOCTID-UHFFFAOYSA-N 1 1 272.396 2.668 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000491766578 332334636 /nfs/dbraw/zinc/33/46/36/332334636.db2.gz FKIBTIRRILXDIL-HUUCEWRRSA-N 1 1 276.424 2.511 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000491766578 332334637 /nfs/dbraw/zinc/33/46/37/332334637.db2.gz FKIBTIRRILXDIL-HUUCEWRRSA-N 1 1 276.424 2.511 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000491766579 332334690 /nfs/dbraw/zinc/33/46/90/332334690.db2.gz FKIBTIRRILXDIL-LSDHHAIUSA-N 1 1 276.424 2.511 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000491766579 332334691 /nfs/dbraw/zinc/33/46/91/332334691.db2.gz FKIBTIRRILXDIL-LSDHHAIUSA-N 1 1 276.424 2.511 20 30 CFEDMO C#CC[N@@H+](Cc1c[nH]nc1-c1cccs1)C1CC1 ZINC000491808734 332361636 /nfs/dbraw/zinc/36/16/36/332361636.db2.gz VZXROMKFEIEJRG-UHFFFAOYSA-N 1 1 257.362 2.736 20 30 CFEDMO COC(=O)C1([NH2+]CCCC(C)(C)C#N)CCCCC1 ZINC000174856397 333009060 /nfs/dbraw/zinc/00/90/60/333009060.db2.gz SSJNVOBKSXHIES-UHFFFAOYSA-N 1 1 266.385 2.782 20 30 CFEDMO C#CC[N@@H+](Cc1cncn1C)[C@@H]1CCc2ccccc21 ZINC000177256607 333056146 /nfs/dbraw/zinc/05/61/46/333056146.db2.gz JPPBODIKHRLTNT-QGZVFWFLSA-N 1 1 265.360 2.543 20 30 CFEDMO C#CC[N@H+](Cc1cncn1C)[C@@H]1CCc2ccccc21 ZINC000177256607 333056147 /nfs/dbraw/zinc/05/61/47/333056147.db2.gz JPPBODIKHRLTNT-QGZVFWFLSA-N 1 1 265.360 2.543 20 30 CFEDMO CCC(CC)[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)CC(C)C ZINC000177866486 333064505 /nfs/dbraw/zinc/06/45/05/333064505.db2.gz ZHXSQLPXPHNSTN-KRWDZBQOSA-N 1 1 293.455 2.941 20 30 CFEDMO C=CCCCC[NH+]1CCC(CCN2CCOCC2)CC1 ZINC000517216485 333094905 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ZINC000521821612 333190229 /nfs/dbraw/zinc/19/02/29/333190229.db2.gz LXYSVJFDORWIMN-UHFFFAOYSA-N 1 1 274.408 2.755 20 30 CFEDMO C=CCCCCC[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000193310001 333247501 /nfs/dbraw/zinc/24/75/01/333247501.db2.gz VIILDEOQISSGOX-INIZCTEOSA-N 1 1 278.440 2.971 20 30 CFEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1cccc(O)c1 ZINC000522282771 333278852 /nfs/dbraw/zinc/27/88/52/333278852.db2.gz LNPHLZYHNGPZHQ-UHFFFAOYSA-N 1 1 288.391 2.925 20 30 CFEDMO C=CC1CCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000523605360 333333769 /nfs/dbraw/zinc/33/37/69/333333769.db2.gz ZACAWHMISPJXNA-LSDHHAIUSA-N 1 1 293.455 2.857 20 30 CFEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000524811714 333388966 /nfs/dbraw/zinc/38/89/66/333388966.db2.gz LSALHBFZYJQJJQ-ZOBUZTSGSA-N 1 1 293.455 2.941 20 30 CFEDMO COc1cc(C[NH2+]CC2(C#N)CC2)ccc1OC(F)F ZINC000576059334 335147410 /nfs/dbraw/zinc/14/74/10/335147410.db2.gz GNHMCCFFFPSBDJ-UHFFFAOYSA-N 1 1 282.290 2.690 20 30 CFEDMO C[C@H](C(=O)c1c[nH]c2ncccc12)[NH+]1CCC(CC#N)CC1 ZINC000542882356 333847814 /nfs/dbraw/zinc/84/78/14/333847814.db2.gz ZPQPRHJFJUEHCN-GFCCVEGCSA-N 1 1 296.374 2.760 20 30 CFEDMO C=C(C)CN(CC)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000074862020 334015427 /nfs/dbraw/zinc/01/54/27/334015427.db2.gz RGKAOHCUQKFLQL-INIZCTEOSA-N 1 1 293.455 2.859 20 30 CFEDMO C=CC[N@H+](CC(=O)NC(C1CC1)C1CC1)Cc1ccccc1 ZINC000075655604 334048233 /nfs/dbraw/zinc/04/82/33/334048233.db2.gz WQOYJWOGAGHRMO-UHFFFAOYSA-N 1 1 298.430 2.979 20 30 CFEDMO C=CC[N@@H+](CC(=O)NC(C1CC1)C1CC1)Cc1ccccc1 ZINC000075655604 334048234 /nfs/dbraw/zinc/04/82/34/334048234.db2.gz WQOYJWOGAGHRMO-UHFFFAOYSA-N 1 1 298.430 2.979 20 30 CFEDMO C=C[C@H](CC(=O)NCC[N@H+](C)C(C)C)c1ccccc1 ZINC000134668156 334099802 /nfs/dbraw/zinc/09/98/02/334099802.db2.gz QDYXTVBBKRWAST-OAHLLOKOSA-N 1 1 274.408 2.803 20 30 CFEDMO C=CC[C@@H](C(=O)NCC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000547654123 334106389 /nfs/dbraw/zinc/10/63/89/334106389.db2.gz 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289.722 2.533 20 30 CFEDMO COc1ccc(C[NH2+]Cc2cn3ccccc3n2)cc1C#N ZINC000742366363 574324695 /nfs/dbraw/zinc/32/46/95/574324695.db2.gz ZAUFAJNMTYZQAR-UHFFFAOYSA-N 1 1 292.342 2.504 20 30 CFEDMO C[C@@H]1CCC[N@H+]1CCNc1ncc(C#N)cc1Cl ZINC000742427996 574329916 /nfs/dbraw/zinc/32/99/16/574329916.db2.gz XIDFQTJGTWWYAI-SNVBAGLBSA-N 1 1 264.760 2.503 20 30 CFEDMO C[NH+]1CCN(N=C2CCC[C@@H]2Cc2ccccc2)CC1 ZINC000735609240 574330973 /nfs/dbraw/zinc/33/09/73/574330973.db2.gz QJHQOWCNKWFCDK-MRXNPFEDSA-N 1 1 271.408 2.633 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)CCCC2CCCC2)CC1 ZINC000742606645 574336841 /nfs/dbraw/zinc/33/68/41/574336841.db2.gz IIAXGNOYDZQMIZ-UHFFFAOYSA-N 1 1 276.424 2.514 20 30 CFEDMO C[N@@H+]1CCCC[C@@H]1C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000750891964 574359562 /nfs/dbraw/zinc/35/95/62/574359562.db2.gz WYKZSGPJEBLDLZ-OAHLLOKOSA-N 1 1 291.778 2.719 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000750891964 574359564 /nfs/dbraw/zinc/35/95/64/574359564.db2.gz WYKZSGPJEBLDLZ-OAHLLOKOSA-N 1 1 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C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1nc(C)sc1C ZINC001024505258 618338269 /nfs/dbraw/zinc/33/82/69/618338269.db2.gz XYEMOUDHQYOGFF-ZDUSSCGKSA-N 1 1 293.436 2.530 20 30 CFEDMO C=CC[N@@H+](Cc1c(C)noc1CC)[C@H](C)COC ZINC000930932112 618342933 /nfs/dbraw/zinc/34/29/33/618342933.db2.gz HRHFREIEWQSODQ-LLVKDONJSA-N 1 1 252.358 2.568 20 30 CFEDMO C=CC[N@H+](Cc1c(C)noc1CC)[C@H](C)COC ZINC000930932112 618342937 /nfs/dbraw/zinc/34/29/37/618342937.db2.gz HRHFREIEWQSODQ-LLVKDONJSA-N 1 1 252.358 2.568 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CCC ZINC001024545065 618358849 /nfs/dbraw/zinc/35/88/49/618358849.db2.gz CYSLVLCFTARNKA-QGZVFWFLSA-N 1 1 298.430 2.857 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2ncccc2o1 ZINC001024557735 618368193 /nfs/dbraw/zinc/36/81/93/618368193.db2.gz BAFMKWIPTJTKRC-CYBMUJFWSA-N 1 1 299.374 2.598 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024608449 618413892 /nfs/dbraw/zinc/41/38/92/618413892.db2.gz PMRYYEZKPPWHLX-HZPDHXFCSA-N 1 1 290.451 2.807 20 30 CFEDMO C#CCCCCCCN1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000877530433 618414239 /nfs/dbraw/zinc/41/42/39/618414239.db2.gz DPBNHGNOVIONJF-DLBZAZTESA-N 1 1 262.441 2.986 20 30 CFEDMO C#CCCCCCCN1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000877530433 618414242 /nfs/dbraw/zinc/41/42/42/618414242.db2.gz DPBNHGNOVIONJF-DLBZAZTESA-N 1 1 262.441 2.986 20 30 CFEDMO Cc1[nH+]c(C=NNCCC(F)(F)F)c2ccccn12 ZINC000794553121 618418569 /nfs/dbraw/zinc/41/85/69/618418569.db2.gz XEIOJUMHKRGJGL-UHFFFAOYSA-N 1 1 270.258 2.519 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccnc1C ZINC001024625204 618424342 /nfs/dbraw/zinc/42/43/42/618424342.db2.gz KNZJKNADPHHSIY-HNNXBMFYSA-N 1 1 287.407 2.550 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001024638865 618427776 /nfs/dbraw/zinc/42/77/76/618427776.db2.gz ZZGZNOZQHLPAAR-YMAMQOFZSA-N 1 1 282.403 2.671 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@]12C[C@@H]1CCCC2 ZINC001024636280 618428546 /nfs/dbraw/zinc/42/85/46/618428546.db2.gz QYBXZWLCBOHGDB-JZXOWHBKSA-N 1 1 288.435 2.561 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001024635495 618428640 /nfs/dbraw/zinc/42/86/40/618428640.db2.gz GEKYMIMELHIHND-GFCCVEGCSA-N 1 1 295.814 2.829 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)[nH]1 ZINC001024635496 618428781 /nfs/dbraw/zinc/42/87/81/618428781.db2.gz GEKYMIMELHIHND-LBPRGKRZSA-N 1 1 295.814 2.829 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)cccc1C ZINC001024671777 618437469 /nfs/dbraw/zinc/43/74/69/618437469.db2.gz LMIHWJKCJCRCLI-KRWDZBQOSA-N 1 1 298.430 2.911 20 30 CFEDMO CC(C)(C)N1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000192971944 618446452 /nfs/dbraw/zinc/44/64/52/618446452.db2.gz PRLMRWMEBJVAQP-HIFRSBDPSA-N 1 1 263.429 2.921 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncoc1C(C)C ZINC001024750029 618461966 /nfs/dbraw/zinc/46/19/66/618461966.db2.gz KCEUJOMKUUSBEI-CYBMUJFWSA-N 1 1 291.395 2.568 20 30 CFEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(Cl)c1 ZINC001024773689 618467244 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ZINC001024814472 618476741 /nfs/dbraw/zinc/47/67/41/618476741.db2.gz TUZRKTBOPJJMMG-CQSZACIVSA-N 1 1 290.432 2.528 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000931260797 618477173 /nfs/dbraw/zinc/47/71/73/618477173.db2.gz CHHDSUTUFYQNPJ-FUHWJXTLSA-N 1 1 284.403 2.770 20 30 CFEDMO N#CC1(C[NH2+]Cc2cn3ccnc3s2)CCCCC1 ZINC000895403171 618575002 /nfs/dbraw/zinc/57/50/02/618575002.db2.gz KDNSXOJRDCKKGZ-UHFFFAOYSA-N 1 1 274.393 2.959 20 30 CFEDMO Cc1ccnc(N)c1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000895452372 618594429 /nfs/dbraw/zinc/59/44/29/618594429.db2.gz VOWRFKPTNULZNI-UHFFFAOYSA-N 1 1 280.375 2.518 20 30 CFEDMO CC[C@H](C[NH2+]CC#Cc1ccccc1)N1CCCC1 ZINC000892554558 618631693 /nfs/dbraw/zinc/63/16/93/618631693.db2.gz LIHANERLWOGZTH-QGZVFWFLSA-N 1 1 256.393 2.502 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(F)ccc1Cl)[C@H]1CCCO1 ZINC000782543250 618633416 /nfs/dbraw/zinc/63/34/16/618633416.db2.gz GWPSTRFKNBNREQ-ZIAGYGMSSA-N 1 1 267.731 2.750 20 30 CFEDMO C#C[C@H](CC)[NH2+]Cc1cc(OC)ccc1Br ZINC000229895619 618647770 /nfs/dbraw/zinc/64/77/70/618647770.db2.gz BPOABHDBPULIKZ-LLVKDONJSA-N 1 1 282.181 2.959 20 30 CFEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[C@@H]1C ZINC001017578446 618665898 /nfs/dbraw/zinc/66/58/98/618665898.db2.gz RYHFQMQRIFTCGE-YHUYYLMFSA-N 1 1 276.424 2.674 20 30 CFEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CCC[C@@H]1C ZINC001017578446 618665899 /nfs/dbraw/zinc/66/58/99/618665899.db2.gz RYHFQMQRIFTCGE-YHUYYLMFSA-N 1 1 276.424 2.674 20 30 CFEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc3occc3c2)C1 ZINC001007389603 618675469 /nfs/dbraw/zinc/67/54/69/618675469.db2.gz ABEHHOBVJGYVTE-HNNXBMFYSA-N 1 1 284.359 2.813 20 30 CFEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001018121684 618685219 /nfs/dbraw/zinc/68/52/19/618685219.db2.gz CDCBNZJUGNFKAX-QSJFSLAZSA-N 1 1 276.424 2.530 20 30 CFEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC001018121684 618685222 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ZINC001008781683 618969835 /nfs/dbraw/zinc/96/98/35/618969835.db2.gz YJDSFGGPVFAUFX-OAHLLOKOSA-N 1 1 292.448 2.756 20 30 CFEDMO C#CCOc1ccc([C@H](C)NCCC[NH+]2CCCC2)cc1 ZINC000178412705 618994847 /nfs/dbraw/zinc/99/48/47/618994847.db2.gz LOYVLLJEJUREGR-INIZCTEOSA-N 1 1 286.419 2.835 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccccc2C)C1 ZINC001009601742 619003044 /nfs/dbraw/zinc/00/30/44/619003044.db2.gz HQWTYCIIDSKGTN-IAGOWNOFSA-N 1 1 298.430 2.702 20 30 CFEDMO COc1cccc(/C=N/CC[N@@H+](C)Cc2ccccc2)c1O ZINC000066887662 619006017 /nfs/dbraw/zinc/00/60/17/619006017.db2.gz KPCCAXRXWXFQGG-CPNJWEJPSA-N 1 1 298.386 2.952 20 30 CFEDMO CCC(CSc1ccc(Cl)cc1)N=NC1=[NH+]CCN1 ZINC000841659210 619064390 /nfs/dbraw/zinc/06/43/90/619064390.db2.gz NQVWOYCYYQYJTI-UHFFFAOYSA-N 1 1 296.827 2.747 20 30 CFEDMO Cn1c[nH+]cc1CCCOc1cc(Cl)ccc1C#N ZINC000314390802 619075946 /nfs/dbraw/zinc/07/59/46/619075946.db2.gz SAXLTYYIVDBMLG-UHFFFAOYSA-N 1 1 275.739 2.957 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCOCC3(CCC3)C2)cs1 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CC(C)[N@@H+]1CCC[C@H]1C(=O)OCc1cc(C#N)ccc1F ZINC000923895164 620448782 /nfs/dbraw/zinc/44/87/82/620448782.db2.gz WOMFOLKUFQRZLK-HNNXBMFYSA-N 1 1 290.338 2.613 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCc1cc(C#N)ccc1F ZINC000923895164 620448784 /nfs/dbraw/zinc/44/87/84/620448784.db2.gz WOMFOLKUFQRZLK-HNNXBMFYSA-N 1 1 290.338 2.613 20 30 CFEDMO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000898674446 620487756 /nfs/dbraw/zinc/48/77/56/620487756.db2.gz GGZGPXJOEIHTCU-OAHLLOKOSA-N 1 1 264.413 2.676 20 30 CFEDMO COc1ccc(O)c(/C=N/CC[N@H+]2CCC(C)(C)C2)c1 ZINC000899231804 620533650 /nfs/dbraw/zinc/53/36/50/620533650.db2.gz HCBCDLZYDLOHJW-GZTJUZNOSA-N 1 1 276.380 2.552 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000899583668 620583509 /nfs/dbraw/zinc/58/35/09/620583509.db2.gz GTOWJHDWDNOTAW-OAHLLOKOSA-N 1 1 299.418 2.637 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000899861582 620606777 /nfs/dbraw/zinc/60/67/77/620606777.db2.gz VTDDRCXVRUKBCA-MRXNPFEDSA-N 1 1 299.418 2.587 20 30 CFEDMO C#Cc1cccc(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC000900061485 620633842 /nfs/dbraw/zinc/63/38/42/620633842.db2.gz SZCOPVDKAGPWTF-HZPDHXFCSA-N 1 1 268.360 2.623 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)nc(C)c3)CCC[C@H]12 ZINC000990905317 620925346 /nfs/dbraw/zinc/92/53/46/620925346.db2.gz FTQAWRWYJHTRLD-WMZOPIPTSA-N 1 1 299.418 2.611 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3C=CC=CC=C3)CCC[C@@H]12 ZINC000990934768 620951384 /nfs/dbraw/zinc/95/13/84/620951384.db2.gz KIHLOTGJVKZNPV-IEBWSBKVSA-N 1 1 298.430 2.974 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@H](c2ccc(F)cc2)CC1=O ZINC000902236163 621003903 /nfs/dbraw/zinc/00/39/03/621003903.db2.gz UYJUYSXUGDAHRI-CQSZACIVSA-N 1 1 276.355 2.607 20 30 CFEDMO C#CCOc1ccc([C@@H](C)[NH2+]Cc2csc(N)n2)cc1 ZINC000902491769 621102648 /nfs/dbraw/zinc/10/26/48/621102648.db2.gz SUWLJDGNZFXLNZ-LLVKDONJSA-N 1 1 287.388 2.588 20 30 CFEDMO CCn1cnc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)c1 ZINC000902601444 621133136 /nfs/dbraw/zinc/13/31/36/621133136.db2.gz OMMWZOIFKUUKKL-QGZVFWFLSA-N 1 1 280.375 2.942 20 30 CFEDMO CCC[N@@H+](CCO[C@H](C)C#N)[C@H]1C[C@@H](OCC)C1(C)C ZINC000801923096 621139963 /nfs/dbraw/zinc/13/99/63/621139963.db2.gz YVEWAOASLYPEQY-QLFBSQMISA-N 1 1 282.428 2.831 20 30 CFEDMO C=CCCC[N@H+](CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000902669655 621148676 /nfs/dbraw/zinc/14/86/76/621148676.db2.gz PCKBHHDIACTIET-UHFFFAOYSA-N 1 1 266.345 2.654 20 30 CFEDMO C[C@H](NCCC[N@H+]1CCCC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902728298 621159504 /nfs/dbraw/zinc/15/95/04/621159504.db2.gz PPUGFKRKVAFTOT-GJZGRUSLSA-N 1 1 286.423 2.868 20 30 CFEDMO Cc1cccc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)n1 ZINC000902757265 621166313 /nfs/dbraw/zinc/16/63/13/621166313.db2.gz PDKLEXJWHGMUFQ-LBPRGKRZSA-N 1 1 252.321 2.508 20 30 CFEDMO COc1ccc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)cc1O ZINC000902785640 621168417 /nfs/dbraw/zinc/16/84/17/621168417.db2.gz HBMGYLGWOMIJTK-NSHDSACASA-N 1 1 283.331 2.518 20 30 CFEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902766076 621169217 /nfs/dbraw/zinc/16/92/17/621169217.db2.gz XNABGRRLFBIFOI-KFWWJZLASA-N 1 1 286.423 2.724 20 30 CFEDMO C[C@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902766076 621169219 /nfs/dbraw/zinc/16/92/19/621169219.db2.gz XNABGRRLFBIFOI-KFWWJZLASA-N 1 1 286.423 2.724 20 30 CFEDMO CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)c1cc(C#N)ccn1 ZINC000902801377 621173574 /nfs/dbraw/zinc/17/35/74/621173574.db2.gz ABWOPEJOYPNRFU-GDBMZVCRSA-N 1 1 286.423 2.868 20 30 CFEDMO CC[C@@H]1CCCCN1CC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902801377 621173578 /nfs/dbraw/zinc/17/35/78/621173578.db2.gz ABWOPEJOYPNRFU-GDBMZVCRSA-N 1 1 286.423 2.868 20 30 CFEDMO CCn1nc(C)c(C[NH2+][C@@H](C)c2cc(C#N)ccn2)c1C ZINC000902789413 621177338 /nfs/dbraw/zinc/17/73/38/621177338.db2.gz JURZPGRZFWWADL-LBPRGKRZSA-N 1 1 283.379 2.637 20 30 CFEDMO CCC1(CC(N)=[NH+]OCCCC(C)(C)C#N)COC1 ZINC000902873570 621194419 /nfs/dbraw/zinc/19/44/19/621194419.db2.gz KIVPKLOZYFWLDZ-UHFFFAOYSA-N 1 1 267.373 2.632 20 30 CFEDMO CCc1nn(C)c(CC)c1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902888243 621199988 /nfs/dbraw/zinc/19/99/88/621199988.db2.gz RESQOSPHJCZGGS-GFCCVEGCSA-N 1 1 297.406 2.662 20 30 CFEDMO CC[C@H]([NH2+][C@H]1CCn2ccnc21)c1cccc(C#N)c1 ZINC000903003086 621226829 /nfs/dbraw/zinc/22/68/29/621226829.db2.gz ORRZJINWRHVXPU-GJZGRUSLSA-N 1 1 266.348 2.940 20 30 CFEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1(C#N)CCC1)CC2 ZINC000903035000 621230806 /nfs/dbraw/zinc/23/08/06/621230806.db2.gz HGXCSTMNIIJZAL-HNNXBMFYSA-N 1 1 251.333 2.829 20 30 CFEDMO C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000903058113 621236683 /nfs/dbraw/zinc/23/66/83/621236683.db2.gz DSOQEOSFKTWQNA-AHIWAGSCSA-N 1 1 281.359 2.726 20 30 CFEDMO CC[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1cccc(C#N)c1 ZINC000903047090 621240420 /nfs/dbraw/zinc/24/04/20/621240420.db2.gz HBXWIUCNBHZMME-TUKIKUTGSA-N 1 1 281.363 2.896 20 30 CFEDMO CC[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1cccc(C#N)c1 ZINC000903047088 621240590 /nfs/dbraw/zinc/24/05/90/621240590.db2.gz HBXWIUCNBHZMME-BYCMXARLSA-N 1 1 281.363 2.896 20 30 CFEDMO C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903052907 621242712 /nfs/dbraw/zinc/24/27/12/621242712.db2.gz LJODRAKRGGUZLV-GJZGRUSLSA-N 1 1 286.423 2.724 20 30 CFEDMO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc(C#N)ccn1 ZINC000903082517 621245750 /nfs/dbraw/zinc/24/57/50/621245750.db2.gz UEFFIZLQHIZVRK-JVUFJMBOSA-N 1 1 255.243 2.555 20 30 CFEDMO Cc1ncccc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903069973 621249993 /nfs/dbraw/zinc/24/99/93/621249993.db2.gz NHQTZGBKYNEBIB-LBPRGKRZSA-N 1 1 252.321 2.508 20 30 CFEDMO N#Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903072145 621250311 /nfs/dbraw/zinc/25/03/11/621250311.db2.gz HJUGXBQBEDGQAS-ZNXRZULTSA-N 1 1 281.403 2.806 20 30 CFEDMO N#Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903072145 621250315 /nfs/dbraw/zinc/25/03/15/621250315.db2.gz HJUGXBQBEDGQAS-ZNXRZULTSA-N 1 1 281.403 2.806 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3[nH]ccc3C3CC3)CCC[C@@H]12 ZINC000991019285 621268495 /nfs/dbraw/zinc/26/84/95/621268495.db2.gz MLZSYEAYRCLRRJ-QAPCUYQASA-N 1 1 299.418 2.805 20 30 CFEDMO CC(C)[C@@](C)(CN)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000903427610 621371398 /nfs/dbraw/zinc/37/13/98/621371398.db2.gz YZEBBCZMUZPSAP-CQSZACIVSA-N 1 1 265.788 2.675 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN(C)CC[C@H]([NH3+])C(C)C ZINC000903424697 621379984 /nfs/dbraw/zinc/37/99/84/621379984.db2.gz BYJQPBUFLBIQCJ-KRWDZBQOSA-N 1 1 273.424 2.980 20 30 CFEDMO N#CC1CCC(C[N@H+]2C[C@@H](c3ccccc3)[C@H](N)C2)CC1 ZINC000903451481 621386989 /nfs/dbraw/zinc/38/69/89/621386989.db2.gz AJAHOWPORVORKR-MUDYYLEHSA-N 1 1 283.419 2.743 20 30 CFEDMO N#CC1CCC(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000903451481 621386990 /nfs/dbraw/zinc/38/69/90/621386990.db2.gz AJAHOWPORVORKR-MUDYYLEHSA-N 1 1 283.419 2.743 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000903452699 621387551 /nfs/dbraw/zinc/38/75/51/621387551.db2.gz QWYCIBOOZZKVGJ-SFHVURJKSA-N 1 1 283.419 2.751 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](CN)C(C)(C)C ZINC000903454815 621387866 /nfs/dbraw/zinc/38/78/66/621387866.db2.gz KBBGGWHSTNGBBN-OAHLLOKOSA-N 1 1 259.397 2.638 20 30 CFEDMO N#CC1(CCCC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000903770277 621438205 /nfs/dbraw/zinc/43/82/05/621438205.db2.gz WHXUXVUJDGQNLW-GOEBONIOSA-N 1 1 261.413 2.664 20 30 CFEDMO N#CC1(CCCC[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000903770277 621438209 /nfs/dbraw/zinc/43/82/09/621438209.db2.gz WHXUXVUJDGQNLW-GOEBONIOSA-N 1 1 261.413 2.664 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000832714279 625491413 /nfs/dbraw/zinc/49/14/13/625491413.db2.gz AFGLNVHOTXVTCR-GFCCVEGCSA-N 1 1 263.385 2.697 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000832714298 625491609 /nfs/dbraw/zinc/49/16/09/625491609.db2.gz AXQZLKYYTVQTDS-AWEZNQCLSA-N 1 1 289.423 2.863 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc([C@H]2CCO[C@@H](C)C2)no1 ZINC000904626475 621617215 /nfs/dbraw/zinc/61/72/15/621617215.db2.gz RFCZKTVFTFEDHD-SRVKXCTJSA-N 1 1 265.357 2.708 20 30 CFEDMO C[N@H+]1CC[C@H]1C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000905003493 621680028 /nfs/dbraw/zinc/68/00/28/621680028.db2.gz TZQYUDWOXZBVNH-JFEKIERCSA-N 1 1 273.163 2.822 20 30 CFEDMO CN1CC[C@H]1C/N=C/c1cc(Cl)cc(Cl)c1[O-] ZINC000905003493 621680032 /nfs/dbraw/zinc/68/00/32/621680032.db2.gz TZQYUDWOXZBVNH-JFEKIERCSA-N 1 1 273.163 2.822 20 30 CFEDMO COc1cc2c(cc1OC)[C@@H]([NH2+]CCC#N)CCCC2 ZINC000905438454 621772339 /nfs/dbraw/zinc/77/23/39/621772339.db2.gz KLBWDLAKEXVQQY-AWEZNQCLSA-N 1 1 274.364 2.975 20 30 CFEDMO C=CC[C@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)C(=O)OC ZINC000905776779 621845366 /nfs/dbraw/zinc/84/53/66/621845366.db2.gz BSBXKAOHRHEPHN-ZJUUUORDSA-N 1 1 280.195 2.668 20 30 CFEDMO C=CC[C@H]([NH2+]CC1(CCOC)CCCCC1)C(=O)OC ZINC000905766463 621856800 /nfs/dbraw/zinc/85/68/00/621856800.db2.gz WUZMNTFAQXJDFU-AWEZNQCLSA-N 1 1 283.412 2.681 20 30 CFEDMO C=CCCCCn1cc(C[N@H+](C)C(C)(C)C)nn1 ZINC000905791871 621863199 /nfs/dbraw/zinc/86/31/99/621863199.db2.gz HBBWFYFEWKBGBT-UHFFFAOYSA-N 1 1 250.390 2.865 20 30 CFEDMO N#CC1CCC(Cn2cc(C[NH+]3CCCCC3)nn2)CC1 ZINC000905817044 621876005 /nfs/dbraw/zinc/87/60/05/621876005.db2.gz XCMVAGPVWSTENC-UHFFFAOYSA-N 1 1 287.411 2.594 20 30 CFEDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC12CCC2 ZINC000905954919 621911239 /nfs/dbraw/zinc/91/12/39/621911239.db2.gz DJHSAMSBQQCBBW-CABCVRRESA-N 1 1 276.424 2.942 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)C1 ZINC000906721740 622033990 /nfs/dbraw/zinc/03/39/90/622033990.db2.gz PZRIXHODNZEUCX-VYDXJSESSA-N 1 1 291.439 2.697 20 30 CFEDMO C=CCCCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000907446033 622129563 /nfs/dbraw/zinc/12/95/63/622129563.db2.gz JOXKVZBECQCNSN-AWEZNQCLSA-N 1 1 252.402 2.581 20 30 CFEDMO C=C[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000907809424 622166430 /nfs/dbraw/zinc/16/64/30/622166430.db2.gz YYJSBHQBZULPRQ-KFWWJZLASA-N 1 1 262.397 2.570 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000833037274 625544769 /nfs/dbraw/zinc/54/47/69/625544769.db2.gz USNREAXJSDAJIS-KSSFIOAISA-N 1 1 296.414 2.839 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cccc(C2CC2)c1 ZINC000833037274 625544778 /nfs/dbraw/zinc/54/47/78/625544778.db2.gz USNREAXJSDAJIS-KSSFIOAISA-N 1 1 296.414 2.839 20 30 CFEDMO C=CC(C)(C)CC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000908357954 622225320 /nfs/dbraw/zinc/22/53/20/622225320.db2.gz JJPYNBSSZPMDJA-CQSZACIVSA-N 1 1 278.440 2.922 20 30 CFEDMO C=CC(C)(C)CC(=O)N1CCC[N@H+](CC)C[C@@H]1C ZINC000910271320 622422522 /nfs/dbraw/zinc/42/25/22/622422522.db2.gz OLRHAIRDPVRJGO-ZDUSSCGKSA-N 1 1 252.402 2.531 20 30 CFEDMO C=CC(C)(C)CC(=O)N1CCC[N@H+](CC)C[C@H]1C ZINC000910271319 622422720 /nfs/dbraw/zinc/42/27/20/622422720.db2.gz OLRHAIRDPVRJGO-CYBMUJFWSA-N 1 1 252.402 2.531 20 30 CFEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C3CCC3)CCC[C@@H]12 ZINC000991363061 622606292 /nfs/dbraw/zinc/60/62/92/622606292.db2.gz VHFRSOOEVWJLAF-QGPMSJSTSA-N 1 1 288.435 2.559 20 30 CFEDMO C=C(C)C(C)(C)C(=O)O[C@@H](C)Cn1cc[nH+]c1C ZINC000820226255 622632220 /nfs/dbraw/zinc/63/22/20/622632220.db2.gz IPZHFNJGPJUODR-NSHDSACASA-N 1 1 250.342 2.726 20 30 CFEDMO CCCCCCCC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000834314884 625599437 /nfs/dbraw/zinc/59/94/37/625599437.db2.gz QTQJMNFBUQTOMW-UONOGXRCSA-N 1 1 252.402 2.509 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)CC3CC(F)(F)C3)CCC[C@H]12 ZINC000991445395 622876461 /nfs/dbraw/zinc/87/64/61/622876461.db2.gz ICFGVAOFOWRDPS-DZGCQCFKSA-N 1 1 298.377 2.721 20 30 CFEDMO CC#CC[N@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000821260495 622879196 /nfs/dbraw/zinc/87/91/96/622879196.db2.gz NJLCDCRDUKJRQV-UHFFFAOYSA-N 1 1 292.423 2.779 20 30 CFEDMO CCCCC(N)=[NH+]OCC(=O)N(C(C)C)C1CCCC1 ZINC000151315595 622888260 /nfs/dbraw/zinc/88/82/60/622888260.db2.gz VIBGRESTIIVVSR-UHFFFAOYSA-N 1 1 283.416 2.645 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2C[C@@H](C)OC[C@H]2C)c1O ZINC000163954253 622932284 /nfs/dbraw/zinc/93/22/84/622932284.db2.gz NTEMIHIAWOEURC-CHWSQXEVSA-N 1 1 291.391 2.739 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3(F)CCCC3)CCC[C@H]12 ZINC000991502450 622949162 /nfs/dbraw/zinc/94/91/62/622949162.db2.gz KRHSHAVVJVBDPK-YOEHRIQHSA-N 1 1 294.414 2.958 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCOC[C@H]2CC)c1O ZINC000164359167 622949838 /nfs/dbraw/zinc/94/98/38/622949838.db2.gz CHQCNZYHGDJQTL-OAHLLOKOSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CCc1cc(C[N@@H+]2CCC[C@@H]2COC)c(O)c(OC)c1 ZINC000164455832 622956088 /nfs/dbraw/zinc/95/60/88/622956088.db2.gz ISVSBFPCEOFTPY-OAHLLOKOSA-N 1 1 291.391 2.740 20 30 CFEDMO C#CCOc1ccc([C@H](C)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000166239883 623006462 /nfs/dbraw/zinc/00/64/62/623006462.db2.gz JWCSCGZYPFEJRB-KBXCAEBGSA-N 1 1 286.419 2.689 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]Cc1cccc2c1OCO2 ZINC000058065458 623029641 /nfs/dbraw/zinc/02/96/41/623029641.db2.gz VBLUPSVUXJDHIU-UHFFFAOYSA-N 1 1 295.338 2.717 20 30 CFEDMO C=C[C@@H](CC)CC(=O)NCC[N@H+]1CCCC1(C)C ZINC000822144441 623050177 /nfs/dbraw/zinc/05/01/77/623050177.db2.gz WIIHANHQUGOABD-ZDUSSCGKSA-N 1 1 252.402 2.579 20 30 CFEDMO C[N@@H+](Cc1ccccc1C#N)C[C@](C)(O)c1ccccc1 ZINC000822517269 623119500 /nfs/dbraw/zinc/11/95/00/623119500.db2.gz WBUNWOWMPRJRCN-SFHVURJKSA-N 1 1 280.371 2.898 20 30 CFEDMO C[C@H](Oc1ccccc1)c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000822812447 623179910 /nfs/dbraw/zinc/17/99/10/623179910.db2.gz DDMRIDNQSLGNIH-WCQYABFASA-N 1 1 286.335 2.903 20 30 CFEDMO CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](CCCCC#N)C1 ZINC000171038164 623201189 /nfs/dbraw/zinc/20/11/89/623201189.db2.gz QOLHNJIHHQJXHD-CYBMUJFWSA-N 1 1 281.400 2.527 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000823239130 623273821 /nfs/dbraw/zinc/27/38/21/623273821.db2.gz HLCAIXKXGZUBRD-AWEZNQCLSA-N 1 1 265.397 2.986 20 30 CFEDMO CSc1cccc(-c2noc([C@H]([NH3+])CCCC#N)n2)n1 ZINC000823292583 623286604 /nfs/dbraw/zinc/28/66/04/623286604.db2.gz ZYADACGDYNSSCB-SECBINFHSA-N 1 1 289.364 2.547 20 30 CFEDMO CCCCCCCC[N@@H+](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000172649054 623296385 /nfs/dbraw/zinc/29/63/85/623296385.db2.gz MOBZVXUOLNYADE-CQSZACIVSA-N 1 1 275.458 2.856 20 30 CFEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)C1CCC1 ZINC000172964764 623326604 /nfs/dbraw/zinc/32/66/04/623326604.db2.gz KXNIGQSNOYUOBF-UHFFFAOYSA-N 1 1 281.363 2.567 20 30 CFEDMO CC1CCC(NC(=O)CO[NH+]=C(N)C2CCCCC2)CC1 ZINC000063458828 623352851 /nfs/dbraw/zinc/35/28/51/623352851.db2.gz ZOEYKCWVSCUTHL-UHFFFAOYSA-N 1 1 295.427 2.550 20 30 CFEDMO C[N@@H+](CC#Cc1ccccc1)C[C@@](C)(O)c1ccccc1 ZINC000823604400 623357545 /nfs/dbraw/zinc/35/75/45/623357545.db2.gz CKUMRABADAXKHG-LJQANCHMSA-N 1 1 279.383 2.878 20 30 CFEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C#CC(C)C)cc1F ZINC000823651320 623370066 /nfs/dbraw/zinc/37/00/66/623370066.db2.gz FOXMHKWMEQBKNH-UHFFFAOYSA-N 1 1 299.349 2.595 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000174239442 623401229 /nfs/dbraw/zinc/40/12/29/623401229.db2.gz KOHPVVWLSIYXNS-ZDUSSCGKSA-N 1 1 268.401 2.942 20 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/nfs/dbraw/zinc/47/40/54/623474054.db2.gz DTLPEKOZGQDNAS-HDMKZQKVSA-N 1 1 288.435 2.559 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](C)c3ccco3)CCC[C@@H]12 ZINC000992166808 623475928 /nfs/dbraw/zinc/47/59/28/623475928.db2.gz IQBRLFQQKMSLQU-YSVLISHTSA-N 1 1 288.391 2.682 20 30 CFEDMO C=CCCCC[N@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000827808017 623484194 /nfs/dbraw/zinc/48/41/94/623484194.db2.gz QOPHWQDGMLVIDF-OAHLLOKOSA-N 1 1 264.413 2.820 20 30 CFEDMO Cc1ccc(C#N)cc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000824368672 623496759 /nfs/dbraw/zinc/49/67/59/623496759.db2.gz TXQFNMWNMIWSPB-IAGOWNOFSA-N 1 1 297.402 2.613 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)Cc3ccco3)CCC[C@@H]12 ZINC000992355706 623524470 /nfs/dbraw/zinc/52/44/70/623524470.db2.gz AXIGWLVPUYYJFE-NVXWUHKLSA-N 1 1 288.391 2.511 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H]2CC)cc1 ZINC000824637205 623537192 /nfs/dbraw/zinc/53/71/92/623537192.db2.gz WRCXVOQTGCDNPK-WMZOPIPTSA-N 1 1 287.403 2.682 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000824716498 623551395 /nfs/dbraw/zinc/55/13/95/623551395.db2.gz VUAURTDTAOIHNB-IPMKNSEASA-N 1 1 299.414 2.824 20 30 CFEDMO C#CC[N@H+](CC#CC)Cc1ccc(O[C@@H](C)COC)cc1 ZINC000824831522 623574099 /nfs/dbraw/zinc/57/40/99/623574099.db2.gz UYIGOSTXLNGCOP-INIZCTEOSA-N 1 1 285.387 2.559 20 30 CFEDMO C#CC[N@@H+](CC#CC)Cc1ccc(O[C@@H](C)COC)cc1 ZINC000824831522 623574102 /nfs/dbraw/zinc/57/41/02/623574102.db2.gz UYIGOSTXLNGCOP-INIZCTEOSA-N 1 1 285.387 2.559 20 30 CFEDMO COC(=O)C1(C#N)CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000824862340 623579771 /nfs/dbraw/zinc/57/97/71/623579771.db2.gz YNEGAYOGUSHLLL-UHFFFAOYSA-N 1 1 286.375 2.582 20 30 CFEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000824861888 623579913 /nfs/dbraw/zinc/57/99/13/623579913.db2.gz ROQQKVIBRFZULZ-YPMHNXCESA-N 1 1 271.719 2.618 20 30 CFEDMO COC(=O)C1(C#N)CC[NH+](C/C(C)=C/c2ccccc2)CC1 ZINC000824866760 623581470 /nfs/dbraw/zinc/58/14/70/623581470.db2.gz HSKVVUPCLIIBJN-NTCAYCPXSA-N 1 1 298.386 2.869 20 30 CFEDMO COc1ccc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)cc1C#N ZINC000913777532 623586068 /nfs/dbraw/zinc/58/60/68/623586068.db2.gz MTXFHYLFGFXKTP-LSDHHAIUSA-N 1 1 299.374 2.522 20 30 CFEDMO C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)C[C@@H](C(F)(F)F)O1 ZINC000929760634 623595387 /nfs/dbraw/zinc/59/53/87/623595387.db2.gz GANRBWNQSGDCTO-XVSSEFHLSA-N 1 1 290.329 2.968 20 30 CFEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@@H](C(F)(F)F)O1 ZINC000929760634 623595390 /nfs/dbraw/zinc/59/53/90/623595390.db2.gz GANRBWNQSGDCTO-XVSSEFHLSA-N 1 1 290.329 2.968 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000825016746 623606265 /nfs/dbraw/zinc/60/62/65/623606265.db2.gz HJHXXLMOTIDGEQ-CZUORRHYSA-N 1 1 281.359 2.691 20 30 CFEDMO C=C1CC(C)(C(=O)N2CC[NH2+][C@H](c3ccccc3C)C2)C1 ZINC000825154313 623641030 /nfs/dbraw/zinc/64/10/30/623641030.db2.gz SSARWUATEIQIAF-INIZCTEOSA-N 1 1 284.403 2.824 20 30 CFEDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 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CCC#C[C@H](C)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000775853865 628075864 /nfs/dbraw/zinc/07/58/64/628075864.db2.gz DNALBEBMQWJWCW-JTQLQIEISA-N 1 1 261.287 2.632 20 30 CFEDMO N#CC1(C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000775987501 628092376 /nfs/dbraw/zinc/09/23/76/628092376.db2.gz WTSCZRDOYPKSKO-HOTGVXAUSA-N 1 1 270.376 2.878 20 30 CFEDMO N#CC1(C[N@@H+]2CCCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000775987502 628092573 /nfs/dbraw/zinc/09/25/73/628092573.db2.gz WTSCZRDOYPKSKO-HZPDHXFCSA-N 1 1 270.376 2.878 20 30 CFEDMO CN(C)c1ccncc1C=[NH+]NCc1ccc(Cl)cc1 ZINC000776187871 628113912 /nfs/dbraw/zinc/11/39/12/628113912.db2.gz OKESJODJSLLVAG-UHFFFAOYSA-N 1 1 288.782 2.925 20 30 CFEDMO C#CCOCC[N@H+](C)[C@@H](CC)c1cccc(OC)c1 ZINC000852052694 634637656 /nfs/dbraw/zinc/63/76/56/634637656.db2.gz RYOJJRIEZWRDAN-INIZCTEOSA-N 1 1 261.365 2.728 20 30 CFEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCC(=O)O1 ZINC000852039271 634633546 /nfs/dbraw/zinc/63/35/46/634633546.db2.gz DIZWRLSLUZALTN-OAHLLOKOSA-N 1 1 291.395 2.548 20 30 CFEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@H]1CCC(=O)O1 ZINC000852039271 634633552 /nfs/dbraw/zinc/63/35/52/634633552.db2.gz DIZWRLSLUZALTN-OAHLLOKOSA-N 1 1 291.395 2.548 20 30 CFEDMO C[C@H](C#N)C[N@H+](CCC(=O)OCc1ccccc1)C1CC1 ZINC000776593435 628163256 /nfs/dbraw/zinc/16/32/56/628163256.db2.gz JAOPAEVJTXRNMU-CQSZACIVSA-N 1 1 286.375 2.744 20 30 CFEDMO C[C@H](C#N)C[N@@H+](CCC(=O)OCc1ccccc1)C1CC1 ZINC000776593435 628163260 /nfs/dbraw/zinc/16/32/60/628163260.db2.gz JAOPAEVJTXRNMU-CQSZACIVSA-N 1 1 286.375 2.744 20 30 CFEDMO C=CC[N@@H+](CCC(=O)OCc1ccccc1)C1CC1 ZINC000776606149 628164927 /nfs/dbraw/zinc/16/49/27/628164927.db2.gz SIJPECUUNRGZBG-UHFFFAOYSA-N 1 1 259.349 2.770 20 30 CFEDMO C=CCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000776608683 628165174 /nfs/dbraw/zinc/16/51/74/628165174.db2.gz DSUYJAHDMPZRQA-OLZOCXBDSA-N 1 1 268.401 2.892 20 30 CFEDMO C#CC[N@H+](CC[C@@H]1COC(C)(C)O1)Cc1ccccc1 ZINC000852044978 634634446 /nfs/dbraw/zinc/63/44/46/634634446.db2.gz JGFQBVAVRPSMLS-MRXNPFEDSA-N 1 1 273.376 2.663 20 30 CFEDMO C[C@H](NCC(C)(C)[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000776725608 628171628 /nfs/dbraw/zinc/17/16/28/628171628.db2.gz NMXLSYNLWPQMDZ-NSHDSACASA-N 1 1 263.360 2.688 20 30 CFEDMO C#CC[N@@H+](CC)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000777595879 628239557 /nfs/dbraw/zinc/23/95/57/628239557.db2.gz FIUFTYGBRULDKM-CQSZACIVSA-N 1 1 294.757 2.540 20 30 CFEDMO C#CC[N@H+](CC)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000777595879 628239560 /nfs/dbraw/zinc/23/95/60/628239560.db2.gz FIUFTYGBRULDKM-CQSZACIVSA-N 1 1 294.757 2.540 20 30 CFEDMO COC[C@H](C)NN=C(C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000777902026 628263555 /nfs/dbraw/zinc/26/35/55/628263555.db2.gz MZVWOQAEFMPKQA-LBPRGKRZSA-N 1 1 286.379 2.529 20 30 CFEDMO C=CCCCCC[N@H+](C)C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000778215768 628287821 /nfs/dbraw/zinc/28/78/21/628287821.db2.gz SIXWPDWURJBOKR-CQSZACIVSA-N 1 1 281.396 2.901 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCCC(C)C)c1 ZINC000778359901 628299087 /nfs/dbraw/zinc/29/90/87/628299087.db2.gz WZYGEXDKWZBNNI-UHFFFAOYSA-N 1 1 272.392 2.974 20 30 CFEDMO CCCCCC[N@H+](C)CC(=O)O[C@H](C#N)C(C)(C)C ZINC000778709456 628326712 /nfs/dbraw/zinc/32/67/12/628326712.db2.gz ALRLAYDBEXRAFT-CYBMUJFWSA-N 1 1 268.401 2.980 20 30 CFEDMO CCCCCC[N@@H+](C)CC(=O)O[C@H](C#N)C(C)(C)C ZINC000778709456 628326713 /nfs/dbraw/zinc/32/67/13/628326713.db2.gz ALRLAYDBEXRAFT-CYBMUJFWSA-N 1 1 268.401 2.980 20 30 CFEDMO CCCCCC[N@H+](C)CC(=O)OCC(C)(C)C#N ZINC000778711077 628326871 /nfs/dbraw/zinc/32/68/71/628326871.db2.gz BUTQRVRHXURCPP-UHFFFAOYSA-N 1 1 254.374 2.591 20 30 CFEDMO CCCCCC[N@@H+](C)CC(=O)OCC(C)(C)C#N ZINC000778711077 628326873 /nfs/dbraw/zinc/32/68/73/628326873.db2.gz BUTQRVRHXURCPP-UHFFFAOYSA-N 1 1 254.374 2.591 20 30 CFEDMO CC(C)[C@H]1C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000779150439 628355893 /nfs/dbraw/zinc/35/58/93/628355893.db2.gz MUPDCLXBBOWRRE-WMLDXEAASA-N 1 1 288.391 2.834 20 30 CFEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000779150439 628355894 /nfs/dbraw/zinc/35/58/94/628355894.db2.gz MUPDCLXBBOWRRE-WMLDXEAASA-N 1 1 288.391 2.834 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@@]23CCOC3=O)cc1 ZINC000779198570 628359854 /nfs/dbraw/zinc/35/98/54/628359854.db2.gz JHRUFVLGJMHFLK-KRWDZBQOSA-N 1 1 287.359 2.533 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@]23CCOC3=O)cc1 ZINC000779198570 628359858 /nfs/dbraw/zinc/35/98/58/628359858.db2.gz JHRUFVLGJMHFLK-KRWDZBQOSA-N 1 1 287.359 2.533 20 30 CFEDMO C#CC[NH2+]CC(=O)Nc1nc(-c2ccc(CC)cc2)cs1 ZINC000779324846 628374203 /nfs/dbraw/zinc/37/42/03/628374203.db2.gz HAOLDDGQWYAXPB-UHFFFAOYSA-N 1 1 299.399 2.534 20 30 CFEDMO C#CCCCCCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000779704437 628394362 /nfs/dbraw/zinc/39/43/62/628394362.db2.gz PPQDULPWNXNPSC-UHFFFAOYSA-N 1 1 298.430 2.915 20 30 CFEDMO CC[C@H]1C[C@@H](C=[NH+]n2cc(Br)cn2)CCO1 ZINC000779784957 628403657 /nfs/dbraw/zinc/40/36/57/628403657.db2.gz TZDHNNPERXBNJM-ONGXEEELSA-N 1 1 286.173 2.685 20 30 CFEDMO CC(N=Nc1cccnn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779771483 628401542 /nfs/dbraw/zinc/40/15/42/628401542.db2.gz JEHHCFRUBBDBBC-INIZCTEOSA-N 1 1 295.390 2.787 20 30 CFEDMO CC(=NNC[C@H](C)C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779785350 628404086 /nfs/dbraw/zinc/40/40/86/628404086.db2.gz VFTDMCKAIQJGEI-PBHICJAKSA-N 1 1 284.407 2.634 20 30 CFEDMO C#C[C@](C)(CC)[NH2+]Cc1csc(CC(=O)OC(C)C)n1 ZINC000852099337 634653235 /nfs/dbraw/zinc/65/32/35/634653235.db2.gz KAOMLVLVPFZHGQ-OAHLLOKOSA-N 1 1 294.420 2.529 20 30 CFEDMO CCC(=NNc1cc[nH+]cc1)c1ccc2c(c1)OCCO2 ZINC000779806802 628408225 /nfs/dbraw/zinc/40/82/25/628408225.db2.gz HYSVMDFJPSBXSZ-UHFFFAOYSA-N 1 1 283.331 2.501 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1nc2ccccc2s1 ZINC000779807467 628408260 /nfs/dbraw/zinc/40/82/60/628408260.db2.gz YFWPTQGMQPIREL-UHFFFAOYSA-N 1 1 268.345 2.949 20 30 CFEDMO CC(N=Nc1ccncc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779807375 628408308 /nfs/dbraw/zinc/40/83/08/628408308.db2.gz UAEKOYVUSGIPIG-QGZVFWFLSA-N 1 1 294.402 2.813 20 30 CFEDMO COc1cc(C=NNc2cc[nH+]cc2)ccc1OC(C)C ZINC000779806599 628408349 /nfs/dbraw/zinc/40/83/49/628408349.db2.gz BUEFCXHNOKWGQQ-UHFFFAOYSA-N 1 1 285.347 2.745 20 30 CFEDMO CCCOc1ccc(C=NNc2cc[nH+]cc2)cc1 ZINC000779810273 628409041 /nfs/dbraw/zinc/40/90/41/628409041.db2.gz ZXRFRDDECJDWBQ-UHFFFAOYSA-N 1 1 255.321 2.738 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1ccc(C)c([N+](=O)[O-])c1 ZINC000779809659 628409446 /nfs/dbraw/zinc/40/94/46/628409446.db2.gz MIIGQRDCEUFURR-UHFFFAOYSA-N 1 1 270.292 2.556 20 30 CFEDMO C#CCCCCCC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000779946147 628420530 /nfs/dbraw/zinc/42/05/30/628420530.db2.gz OIVPYRMDEPPBOH-KRWDZBQOSA-N 1 1 284.403 2.873 20 30 CFEDMO C#CCCCCCC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000779946147 628420531 /nfs/dbraw/zinc/42/05/31/628420531.db2.gz OIVPYRMDEPPBOH-KRWDZBQOSA-N 1 1 284.403 2.873 20 30 CFEDMO C#CCCCCCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000779965186 628421280 /nfs/dbraw/zinc/42/12/80/628421280.db2.gz ULEQVDPIYSQGSE-CABCVRRESA-N 1 1 264.413 2.511 20 30 CFEDMO CC(=NN1CC[NH+](C)CC1)c1cc2ccccc2s1 ZINC000780187850 628437905 /nfs/dbraw/zinc/43/79/05/628437905.db2.gz ZTWYSMGZXFBPBN-UHFFFAOYSA-N 1 1 273.405 2.873 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000852101219 634655489 /nfs/dbraw/zinc/65/54/89/634655489.db2.gz OPYYSDZBVNOTEA-PXAZEXFGSA-N 1 1 288.391 2.797 20 30 CFEDMO Cc1[nH+]c(C=NN[C@H]2CCOC(C)(C)C2)c2ccccn12 ZINC000780253103 628446294 /nfs/dbraw/zinc/44/62/94/628446294.db2.gz OPPWNWYICYYHHW-ZDUSSCGKSA-N 1 1 286.379 2.524 20 30 CFEDMO C#CCCCCCC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000780391828 628460678 /nfs/dbraw/zinc/46/06/78/628460678.db2.gz DOGOBRLKHOQKPZ-AWEZNQCLSA-N 1 1 275.396 2.528 20 30 CFEDMO COc1ccc(Cl)cc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780558767 628476489 /nfs/dbraw/zinc/47/64/89/628476489.db2.gz SXGJCJSOZMQFQB-UHFFFAOYSA-N 1 1 287.750 2.905 20 30 CFEDMO C#CCCCCCC(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000781011935 628512702 /nfs/dbraw/zinc/51/27/02/628512702.db2.gz ALAUWEKQKLBBNA-UHFFFAOYSA-N 1 1 276.424 2.657 20 30 CFEDMO CC[C@H](C#N)OC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000781177846 628529897 /nfs/dbraw/zinc/52/98/97/628529897.db2.gz DDNWCJUXRFQPFR-JKSUJKDBSA-N 1 1 286.375 2.744 20 30 CFEDMO CCCCCCCCC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000781683388 628572704 /nfs/dbraw/zinc/57/27/04/628572704.db2.gz ZRMVREMEAHSEOR-UHFFFAOYSA-N 1 1 298.471 2.652 20 30 CFEDMO C#CCCN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000782997954 628668104 /nfs/dbraw/zinc/66/81/04/628668104.db2.gz SJVJJIGWFMQNPN-KRWDZBQOSA-N 1 1 256.393 2.827 20 30 CFEDMO CO[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC000783015375 628669284 /nfs/dbraw/zinc/66/92/84/628669284.db2.gz RWFJWNWQBADUFC-OAHLLOKOSA-N 1 1 274.364 2.590 20 30 CFEDMO CCC[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccn1 ZINC000783294659 628698246 /nfs/dbraw/zinc/69/82/46/628698246.db2.gz RKEKLPYKQZLNFO-HNNXBMFYSA-N 1 1 266.348 2.979 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CCCc1ccsc1 ZINC000783374375 628702344 /nfs/dbraw/zinc/70/23/44/628702344.db2.gz MYBDWIAPUJXAAS-OAHLLOKOSA-N 1 1 291.416 2.712 20 30 CFEDMO Cc1ccn(C[N@@H+]2CCCC3(CCCC3)C2)c(=O)c1C#N ZINC000783542065 628719009 /nfs/dbraw/zinc/71/90/09/628719009.db2.gz GTCMYFIGQBBPBS-UHFFFAOYSA-N 1 1 285.391 2.642 20 30 CFEDMO Cc1ccn(C[N@H+]2CCCC3(CCCC3)C2)c(=O)c1C#N ZINC000783542065 628719011 /nfs/dbraw/zinc/71/90/11/628719011.db2.gz GTCMYFIGQBBPBS-UHFFFAOYSA-N 1 1 285.391 2.642 20 30 CFEDMO CC[N@H+]1CCCN(Cc2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000852166352 634677935 /nfs/dbraw/zinc/67/79/35/634677935.db2.gz FFHMWWBDAQWSQH-ZDUSSCGKSA-N 1 1 275.371 2.613 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)cc1 ZINC000783727814 628738249 /nfs/dbraw/zinc/73/82/49/628738249.db2.gz FMQYNUKZNYWWKF-XJKSGUPXSA-N 1 1 288.391 2.570 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000783737563 628739617 /nfs/dbraw/zinc/73/96/17/628739617.db2.gz NOKWRTWUKJYOBM-RRFJBIMHSA-N 1 1 273.376 2.696 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H](O)c1ccccn1 ZINC000852192864 634684868 /nfs/dbraw/zinc/68/48/68/634684868.db2.gz VKWLOVATZQXOOM-SUMWQHHRSA-N 1 1 281.359 2.680 20 30 CFEDMO C[N@H+]1CCCC12CCN(Cc1ccc(OCC#N)cc1)CC2 ZINC000784252492 628795137 /nfs/dbraw/zinc/79/51/37/628795137.db2.gz TUQNRUKREXMOIN-UHFFFAOYSA-N 1 1 299.418 2.649 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000852205993 634687757 /nfs/dbraw/zinc/68/77/57/634687757.db2.gz BUTDAXOCVYIQEE-MRXNPFEDSA-N 1 1 257.377 2.939 20 30 CFEDMO C=C[C@@H]1CCCCN1c1nc(N2CCCC2)cc[nH+]1 ZINC000784677778 628836494 /nfs/dbraw/zinc/83/64/94/628836494.db2.gz YOESVZOCGFJIJK-CYBMUJFWSA-N 1 1 258.369 2.622 20 30 CFEDMO C#CCOCC[N@H+](C)[C@@H](C)CSc1ccccc1 ZINC000852209386 634689997 /nfs/dbraw/zinc/68/99/97/634689997.db2.gz NBLQYRQYBVZFKK-AWEZNQCLSA-N 1 1 263.406 2.749 20 30 CFEDMO CCOc1ccc(C[NH2+]Cc2ccc(C#N)cn2)cc1F ZINC000785518569 628891241 /nfs/dbraw/zinc/89/12/41/628891241.db2.gz UUONOWGKPJBZSA-UHFFFAOYSA-N 1 1 285.322 2.781 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCc1cccc(C#N)c1F ZINC000785730175 628908350 /nfs/dbraw/zinc/90/83/50/628908350.db2.gz GCEAYFAHYIDWBO-TXEJJXNPSA-N 1 1 290.338 2.613 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCc1cccc(C#N)c1F ZINC000785730175 628908352 /nfs/dbraw/zinc/90/83/52/628908352.db2.gz GCEAYFAHYIDWBO-TXEJJXNPSA-N 1 1 290.338 2.613 20 30 CFEDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCc1cccc(C#N)c1F ZINC000785730171 628908582 /nfs/dbraw/zinc/90/85/82/628908582.db2.gz GCEAYFAHYIDWBO-RYUDHWBXSA-N 1 1 290.338 2.613 20 30 CFEDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCc1cc(C#N)ccc1F ZINC000785739291 628910065 /nfs/dbraw/zinc/91/00/65/628910065.db2.gz XKMRVJOKFJUFPG-VXGBXAGGSA-N 1 1 290.338 2.613 20 30 CFEDMO C=CCC[N@@H+](C)CN1C[C@@H](Cc2ccccc2)OC1=O ZINC000786100534 628937337 /nfs/dbraw/zinc/93/73/37/628937337.db2.gz BIJDMHMECIPWEL-OAHLLOKOSA-N 1 1 274.364 2.515 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@@H](Cc2ccccc2)OC1=O ZINC000786100534 628937340 /nfs/dbraw/zinc/93/73/40/628937340.db2.gz BIJDMHMECIPWEL-OAHLLOKOSA-N 1 1 274.364 2.515 20 30 CFEDMO C#CCCC[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000805820041 628981517 /nfs/dbraw/zinc/98/15/17/628981517.db2.gz CLJMYVSBILPWIJ-CVEARBPZSA-N 1 1 259.393 2.886 20 30 CFEDMO C=CCCCOC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786879008 628982770 /nfs/dbraw/zinc/98/27/70/628982770.db2.gz IBMBFXXVWZGBFZ-AWEZNQCLSA-N 1 1 251.370 2.903 20 30 CFEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000787157624 628996766 /nfs/dbraw/zinc/99/67/66/628996766.db2.gz LMXOUJUXBXLYRF-ZIAGYGMSSA-N 1 1 297.402 2.557 20 30 CFEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000787157624 628996768 /nfs/dbraw/zinc/99/67/68/628996768.db2.gz LMXOUJUXBXLYRF-ZIAGYGMSSA-N 1 1 297.402 2.557 20 30 CFEDMO C#CC[N@H+](CC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000787406399 629011387 /nfs/dbraw/zinc/01/13/87/629011387.db2.gz KQOWKFOEKOORQI-JLHYYAGUSA-N 1 1 258.321 2.953 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C)cc(C)c2O)n1 ZINC000788370390 629061281 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ICGYERNOYALTMV-DZGCQCFKSA-N 1 1 299.418 2.677 20 30 CFEDMO C=CC(C)(C)C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000835245388 629559519 /nfs/dbraw/zinc/55/95/19/629559519.db2.gz BLBDUSGFSDSRTD-CYBMUJFWSA-N 1 1 277.364 2.999 20 30 CFEDMO C=CCCCCC[C@@H](C)[NH2+]C[C@@H](C)N1CCN(C)CC1 ZINC000793522450 629561249 /nfs/dbraw/zinc/56/12/49/629561249.db2.gz ADJXUOHNJDDSAN-IAGOWNOFSA-N 1 1 281.488 2.737 20 30 CFEDMO C#CCCCCCOC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000835276264 629587381 /nfs/dbraw/zinc/58/73/81/629587381.db2.gz BKVUQJBKCMBYBV-UHFFFAOYSA-N 1 1 283.331 2.618 20 30 CFEDMO COCC[N@H+](CCF)[C@H](C)c1cccc(C#N)c1 ZINC000852481004 634756579 /nfs/dbraw/zinc/75/65/79/634756579.db2.gz FQEUBSPUKXRFKA-GFCCVEGCSA-N 1 1 250.317 2.537 20 30 CFEDMO COCC[N@@H+](CCF)[C@H](C)c1cccc(C#N)c1 ZINC000852481004 634756581 /nfs/dbraw/zinc/75/65/81/634756581.db2.gz FQEUBSPUKXRFKA-GFCCVEGCSA-N 1 1 250.317 2.537 20 30 CFEDMO C[C@@H](O[NH+]=C(N)C1CCOCC1)c1ccc(C#N)cc1 ZINC000794719817 629678968 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CFEDMO C=CC[N@@H+](CC(=O)Nc1ccc(O)cc1)C(C)(C)C ZINC000852552727 634778196 /nfs/dbraw/zinc/77/81/96/634778196.db2.gz CZKMAMUUDDVEKZ-UHFFFAOYSA-N 1 1 262.353 2.617 20 30 CFEDMO C=CCOC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000796837865 629976477 /nfs/dbraw/zinc/97/64/77/629976477.db2.gz DOXKLEURDYVJMJ-CQSZACIVSA-N 1 1 295.329 2.873 20 30 CFEDMO C=CC[N@@H+](C[C@@H]1CC2(CCC2)C(=O)O1)C(C)(C)C ZINC000852554995 634778538 /nfs/dbraw/zinc/77/85/38/634778538.db2.gz ZUPRIXSRBWDLSM-LBPRGKRZSA-N 1 1 251.370 2.759 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ncc[nH]1 ZINC000796990168 630000575 /nfs/dbraw/zinc/00/05/75/630000575.db2.gz RDGZSYPWYSCWPK-SECBINFHSA-N 1 1 260.728 2.786 20 30 CFEDMO CC[C@](C)(C#N)C(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000797037628 630006691 /nfs/dbraw/zinc/00/66/91/630006691.db2.gz FYCCZPDRHJKHCG-NVXWUHKLSA-N 1 1 286.375 2.744 20 30 CFEDMO C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000797516254 630076741 /nfs/dbraw/zinc/07/67/41/630076741.db2.gz 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/nfs/dbraw/zinc/28/09/76/630280976.db2.gz JSGGJDIYYXPGAC-JTQLQIEISA-N 1 1 272.739 2.852 20 30 CFEDMO C#CCC[N@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000852664083 634801552 /nfs/dbraw/zinc/80/15/52/634801552.db2.gz SPNQPMNBBHPKTM-UHFFFAOYSA-N 1 1 253.386 2.700 20 30 CFEDMO C#CCC[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000852664083 634801559 /nfs/dbraw/zinc/80/15/59/634801559.db2.gz SPNQPMNBBHPKTM-UHFFFAOYSA-N 1 1 253.386 2.700 20 30 CFEDMO C=CCCCCC[N@H+](C)C[C@@H](O)c1ccc(F)cn1 ZINC000799303184 630294614 /nfs/dbraw/zinc/29/46/14/630294614.db2.gz HFVFYSBHWCROLX-OAHLLOKOSA-N 1 1 266.360 2.932 20 30 CFEDMO Cc1[nH+]ccn1CCCOC(=O)c1ccc(C)c(C#N)c1 ZINC000799547303 630320171 /nfs/dbraw/zinc/32/01/71/630320171.db2.gz OJTKRRPGYWJPMW-UHFFFAOYSA-N 1 1 283.331 2.619 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)OCc1ccccc1 ZINC000852685329 634806387 /nfs/dbraw/zinc/80/63/87/634806387.db2.gz FLEQRCMVUPYEBA-IYBDPMFKSA-N 1 1 271.360 2.913 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)OCc1ccccc1 ZINC000852685329 634806391 /nfs/dbraw/zinc/80/63/91/634806391.db2.gz FLEQRCMVUPYEBA-IYBDPMFKSA-N 1 1 271.360 2.913 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc2nonc2c1 ZINC000852688693 634807197 /nfs/dbraw/zinc/80/71/97/634807197.db2.gz YCKROGDVVYVSDX-BETUJISGSA-N 1 1 255.321 2.906 20 30 CFEDMO C=CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000801526438 630453198 /nfs/dbraw/zinc/45/31/98/630453198.db2.gz PHJCXSIDLJYGBC-UHFFFAOYSA-N 1 1 250.273 2.884 20 30 CFEDMO C#CCC[NH+]1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000801597968 630461864 /nfs/dbraw/zinc/46/18/64/630461864.db2.gz QWQDOAVWOHALPQ-MRXNPFEDSA-N 1 1 287.794 2.546 20 30 CFEDMO C[C@H](C#N)OCC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000801913369 630484082 /nfs/dbraw/zinc/48/40/82/630484082.db2.gz UIQQFAKIPSQRGP-MNOVXSKESA-N 1 1 268.307 2.886 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000801913369 630484085 /nfs/dbraw/zinc/48/40/85/630484085.db2.gz UIQQFAKIPSQRGP-MNOVXSKESA-N 1 1 268.307 2.886 20 30 CFEDMO Cc1ccccc1OCCC[N@H+](C)CCO[C@H](C)C#N ZINC000801912748 630485788 /nfs/dbraw/zinc/48/57/88/630485788.db2.gz BNPMTSFUBXVWAL-OAHLLOKOSA-N 1 1 276.380 2.624 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000801912801 630486006 /nfs/dbraw/zinc/48/60/06/630486006.db2.gz DEDQSDFGKDHSSK-CYBMUJFWSA-N 1 1 262.353 2.953 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000801913620 630486109 /nfs/dbraw/zinc/48/61/09/630486109.db2.gz YNPFVXNNYAMDMK-WFASDCNBSA-N 1 1 262.328 2.891 20 30 CFEDMO C[C@H](C#N)OCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000801913647 630486192 /nfs/dbraw/zinc/48/61/92/630486192.db2.gz ZSTZJNISBRRIFJ-MRXNPFEDSA-N 1 1 293.455 2.503 20 30 CFEDMO Cc1ccccc1[C@@H]1CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000801917319 630486676 /nfs/dbraw/zinc/48/66/76/630486676.db2.gz ZACDZFGRIKJRKI-LSDHHAIUSA-N 1 1 258.365 2.713 20 30 CFEDMO COc1ccccc1C[C@@H]1CCC[N@H+]1CCO[C@H](C)C#N ZINC000801916306 630486980 /nfs/dbraw/zinc/48/69/80/630486980.db2.gz VEVDETVTBAUWNV-ZBFHGGJFSA-N 1 1 288.391 2.631 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000801921921 630488560 /nfs/dbraw/zinc/48/85/60/630488560.db2.gz BYWQLWVTTSSOCC-LLVKDONJSA-N 1 1 264.756 2.627 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000801921921 630488562 /nfs/dbraw/zinc/48/85/62/630488562.db2.gz BYWQLWVTTSSOCC-LLVKDONJSA-N 1 1 264.756 2.627 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000801926773 630490344 /nfs/dbraw/zinc/49/03/44/630490344.db2.gz ZPAMWPANZXGQJT-MGPQQGTHSA-N 1 1 262.353 2.981 20 30 CFEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCO[C@@H](C)C#N)CCC2 ZINC000801934479 630490709 /nfs/dbraw/zinc/49/07/09/630490709.db2.gz MTTCUYOHYUNHPE-AAEUAGOBSA-N 1 1 293.436 2.943 20 30 CFEDMO Cc1nc2c(s1)[C@H]([N@H+](C)CCO[C@@H](C)C#N)CCC2 ZINC000801932864 630490871 /nfs/dbraw/zinc/49/08/71/630490871.db2.gz ZXAOBGCZYBDGDA-GXFFZTMASA-N 1 1 279.409 2.689 20 30 CFEDMO CC(C)Oc1cccc(C[N@@H+](C)CCO[C@H](C)C#N)c1 ZINC000801936456 630491852 /nfs/dbraw/zinc/49/18/52/630491852.db2.gz PTMPKSHRLCXQEB-CQSZACIVSA-N 1 1 276.380 2.834 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000801947693 630493804 /nfs/dbraw/zinc/49/38/04/630493804.db2.gz ZEUIORSSEGFXII-AWEZNQCLSA-N 1 1 258.365 2.579 20 30 CFEDMO C=C(C)C[N@H+](CCO[C@H](C)C#N)Cc1ccccc1 ZINC000801952344 630495238 /nfs/dbraw/zinc/49/52/38/630495238.db2.gz UDEYUVLETLTYAQ-OAHLLOKOSA-N 1 1 258.365 2.993 20 30 CFEDMO C#CCC[N@@H+](CCOC)Cc1ncccc1C(F)(F)F ZINC000852748922 634823130 /nfs/dbraw/zinc/82/31/30/634823130.db2.gz LCEIHSGJOSDTAK-UHFFFAOYSA-N 1 1 286.297 2.572 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1ncccc1C(F)(F)F ZINC000852748922 634823134 /nfs/dbraw/zinc/82/31/34/634823134.db2.gz LCEIHSGJOSDTAK-UHFFFAOYSA-N 1 1 286.297 2.572 20 30 CFEDMO C=CCN1CCN(C[N@@H+](CC)Cc2ccccc2C)C1=O ZINC000839964747 630529629 /nfs/dbraw/zinc/52/96/29/630529629.db2.gz SCLGMWBFYDNTDI-UHFFFAOYSA-N 1 1 287.407 2.698 20 30 CFEDMO C=CCN1CCN(C[N@H+](CC)Cc2ccccc2C)C1=O ZINC000839964747 630529632 /nfs/dbraw/zinc/52/96/32/630529632.db2.gz SCLGMWBFYDNTDI-UHFFFAOYSA-N 1 1 287.407 2.698 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1ccc(N(C)C)c(C)c1 ZINC000852748951 634823048 /nfs/dbraw/zinc/82/30/48/634823048.db2.gz MMSHLKVPUWUECK-UHFFFAOYSA-N 1 1 274.408 2.533 20 30 CFEDMO C=CCCCCC[N@H+](C)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000840005853 630629102 /nfs/dbraw/zinc/62/91/02/630629102.db2.gz FIDKSECXQLVRIK-ZIAGYGMSSA-N 1 1 252.402 2.737 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCC(=O)OCc1cccc(C#N)c1 ZINC000803855592 630648551 /nfs/dbraw/zinc/64/85/51/630648551.db2.gz JGTAMXCVXQOKPO-INIZCTEOSA-N 1 1 286.375 2.866 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)CCCCC(C)(C)C)CC1 ZINC000804331549 630672822 /nfs/dbraw/zinc/67/28/22/630672822.db2.gz POMPHEFXXHRGEJ-UHFFFAOYSA-N 1 1 278.440 2.760 20 30 CFEDMO CC(C)(C)[N@H+]1CCCN(c2nc(Cl)c(C#N)s2)CC1 ZINC000804394453 630679042 /nfs/dbraw/zinc/67/90/42/630679042.db2.gz SANHRFLPGGTJAO-UHFFFAOYSA-N 1 1 298.843 2.979 20 30 CFEDMO CC[N@H+]1C[C@@H](C)N(c2nc(Cl)c(C#N)s2)C[C@@H]1C ZINC000804586578 630761099 /nfs/dbraw/zinc/76/10/99/630761099.db2.gz IRWHCZAICZYZEZ-DTWKUNHWSA-N 1 1 284.816 2.587 20 30 CFEDMO C[N@H+]1CCCC12CCN(c1nc(Cl)c(C#N)s1)CC2 ZINC000804590295 630761948 /nfs/dbraw/zinc/76/19/48/630761948.db2.gz DDYZQAZOMLXAFN-UHFFFAOYSA-N 1 1 296.827 2.733 20 30 CFEDMO C=CCN1CCN(C[N@@H+](C)C/C(C)=C/c2ccccc2)C1=O ZINC000840054514 630766843 /nfs/dbraw/zinc/76/68/43/630766843.db2.gz JUXBKTYGXKTMCV-DTQAZKPQSA-N 1 1 299.418 2.903 20 30 CFEDMO C=CCN1CCN(C[N@H+](C)C/C(C)=C/c2ccccc2)C1=O ZINC000840054514 630766845 /nfs/dbraw/zinc/76/68/45/630766845.db2.gz JUXBKTYGXKTMCV-DTQAZKPQSA-N 1 1 299.418 2.903 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)N(C)CCC1CCCCC1 ZINC000836487372 630833150 /nfs/dbraw/zinc/83/31/50/630833150.db2.gz FCYREHRTTACUNT-UHFFFAOYSA-N 1 1 293.455 2.553 20 30 CFEDMO C[N@@H+](Cc1cc2c(cc1O)CCC2)CC(C)(C)C#N ZINC000840075267 630834371 /nfs/dbraw/zinc/83/43/71/630834371.db2.gz XRSXDBGDFCUKNU-UHFFFAOYSA-N 1 1 258.365 2.862 20 30 CFEDMO C[N@H+](Cn1cnc2cc(F)c(F)cc21)CC(C)(C)C#N ZINC000840074314 630837767 /nfs/dbraw/zinc/83/77/67/630837767.db2.gz QIMHHQPXYSJJJN-UHFFFAOYSA-N 1 1 278.306 2.754 20 30 CFEDMO C[N@@H+](Cn1cnc2cc(F)c(F)cc21)CC(C)(C)C#N ZINC000840074314 630837770 /nfs/dbraw/zinc/83/77/70/630837770.db2.gz QIMHHQPXYSJJJN-UHFFFAOYSA-N 1 1 278.306 2.754 20 30 CFEDMO CC[N@H+]1CCC(N=Nc2nccnc2C2CCC2)[C@H](C)C1 ZINC000807991459 630932770 /nfs/dbraw/zinc/93/27/70/630932770.db2.gz MIDRAKKZPAEZPP-GFCCVEGCSA-N 1 1 287.411 2.874 20 30 CFEDMO C[C@H]1C[N@H+](Cc2ccccc2)CC1=NN[C@@H]1CCSC1 ZINC000808001424 630937635 /nfs/dbraw/zinc/93/76/35/630937635.db2.gz KNBGANPIPQSQHK-DZGCQCFKSA-N 1 1 289.448 2.589 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NN[C@@H]1CCSC1 ZINC000808001424 630937638 /nfs/dbraw/zinc/93/76/38/630937638.db2.gz KNBGANPIPQSQHK-DZGCQCFKSA-N 1 1 289.448 2.589 20 30 CFEDMO CC(C)(C)C#CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000837340629 631005849 /nfs/dbraw/zinc/00/58/49/631005849.db2.gz MWJHYCHVPBEEBB-KRWDZBQOSA-N 1 1 298.430 2.817 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C#CC(C)(C)C)C1 ZINC000837344397 631007770 /nfs/dbraw/zinc/00/77/70/631007770.db2.gz BVQTYSXXHLFFCO-IYBDPMFKSA-N 1 1 292.467 2.910 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C#CC(C)(C)C ZINC000837408766 631022687 /nfs/dbraw/zinc/02/26/87/631022687.db2.gz CSFRAJBQOCJBNX-MRXNPFEDSA-N 1 1 298.430 2.769 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C#CC(C)(C)C ZINC000837408766 631022691 /nfs/dbraw/zinc/02/26/91/631022691.db2.gz CSFRAJBQOCJBNX-MRXNPFEDSA-N 1 1 298.430 2.769 20 30 CFEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000837419040 631024663 /nfs/dbraw/zinc/02/46/63/631024663.db2.gz IOXWAWHSIKZDMA-DOTOQJQBSA-N 1 1 288.435 2.513 20 30 CFEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C#CC(C)(C)C ZINC000837513162 631051882 /nfs/dbraw/zinc/05/18/82/631051882.db2.gz ARHJVLORJGHZGJ-OAHLLOKOSA-N 1 1 286.419 2.673 20 30 CFEDMO Cc1ccn(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)c(=O)c1C#N ZINC000840150686 631059784 /nfs/dbraw/zinc/05/97/84/631059784.db2.gz WLJNOJYMAMPZDS-CQSZACIVSA-N 1 1 287.407 2.744 20 30 CFEDMO Cc1ccn(C[N@H+]2CC[C@H](CC(C)(C)C)C2)c(=O)c1C#N ZINC000840150686 631059788 /nfs/dbraw/zinc/05/97/88/631059788.db2.gz WLJNOJYMAMPZDS-CQSZACIVSA-N 1 1 287.407 2.744 20 30 CFEDMO CC#CCCCC(=O)OC[C@H]1CCCC[N@H+]1C(C)C ZINC000837639765 631094707 /nfs/dbraw/zinc/09/47/07/631094707.db2.gz JCTYQAXRMFRXNB-OAHLLOKOSA-N 1 1 265.397 2.986 20 30 CFEDMO C#CCC(C)(C)C(=O)OCC[N@H+](C)Cc1ccccc1 ZINC000837639605 631094838 /nfs/dbraw/zinc/09/48/38/631094838.db2.gz IIVCWEJZJDNUOE-UHFFFAOYSA-N 1 1 273.376 2.711 20 30 CFEDMO C=CC(C)(C)C(=O)OCC[N@H+](C)Cc1ccccc1 ZINC000837863007 631143681 /nfs/dbraw/zinc/14/36/81/631143681.db2.gz XQFLRWUQLPNKQU-UHFFFAOYSA-N 1 1 261.365 2.874 20 30 CFEDMO COc1ccc(O)c(/C=N/CCCC[N@@H+](C)C2CC2)c1 ZINC000840711283 631176007 /nfs/dbraw/zinc/17/60/07/631176007.db2.gz VZQHGXKZEHMTPY-SFQUDFHCSA-N 1 1 276.380 2.694 20 30 CFEDMO N#CC[C@@H](O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000809573645 631236983 /nfs/dbraw/zinc/23/69/83/631236983.db2.gz TYJMSKIEVKOZHP-IEBWSBKVSA-N 1 1 292.382 2.909 20 30 CFEDMO N#CC[C@@H](O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000809573646 631237367 /nfs/dbraw/zinc/23/73/67/631237367.db2.gz TYJMSKIEVKOZHP-MJGOQNOKSA-N 1 1 292.382 2.909 20 30 CFEDMO C=CC[N@@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000809568597 631237533 /nfs/dbraw/zinc/23/75/33/631237533.db2.gz BBOAIZRBZHNKDV-UHFFFAOYSA-N 1 1 280.412 2.942 20 30 CFEDMO C#Cc1ccc(CNC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000809608167 631246028 /nfs/dbraw/zinc/24/60/28/631246028.db2.gz JEBRBXZDSQGLJF-HNNXBMFYSA-N 1 1 256.393 2.632 20 30 CFEDMO C#C[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000809683089 631260137 /nfs/dbraw/zinc/26/01/37/631260137.db2.gz OYWONJAQQYTTIG-JTQLQIEISA-N 1 1 287.344 2.830 20 30 CFEDMO C#C[C@H](CC)[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000809685650 631262232 /nfs/dbraw/zinc/26/22/32/631262232.db2.gz HTQPTDPVODADGH-SNVBAGLBSA-N 1 1 292.745 2.561 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cc1 ZINC000840977828 631292301 /nfs/dbraw/zinc/29/23/01/631292301.db2.gz KDIWLQFQUPLQSJ-YCPHGPKFSA-N 1 1 288.391 2.570 20 30 CFEDMO C#CC[N@H+](C)C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000809986415 631309655 /nfs/dbraw/zinc/30/96/55/631309655.db2.gz HIQFNENWQVKWGH-SHTZXODSSA-N 1 1 294.439 2.883 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Nc2cccc(C#N)c2)C1 ZINC000809996889 631311923 /nfs/dbraw/zinc/31/19/23/631311923.db2.gz QNLDKJCXARCDCS-MRXNPFEDSA-N 1 1 289.354 2.709 20 30 CFEDMO C=CCCC[N@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000810040867 631318978 /nfs/dbraw/zinc/31/89/78/631318978.db2.gz YGMWETOENRJLJU-CQSZACIVSA-N 1 1 266.385 2.696 20 30 CFEDMO C=CCCC[N@H+]1CCCC[C@H]1COC(=O)NC1CC1 ZINC000810040866 631319343 /nfs/dbraw/zinc/31/93/43/631319343.db2.gz YGMWETOENRJLJU-AWEZNQCLSA-N 1 1 266.385 2.696 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000810152883 631335303 /nfs/dbraw/zinc/33/53/03/631335303.db2.gz FXRPUGZMDZKCFO-UONOGXRCSA-N 1 1 299.292 2.681 20 30 CFEDMO C[C@H]1CCC[N@@H+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000810220563 631346556 /nfs/dbraw/zinc/34/65/56/631346556.db2.gz ZWXIRKPDIQEEAW-GUYCJALGSA-N 1 1 269.392 2.619 20 30 CFEDMO C[C@H]1CCC[N@H+]1CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000810220563 631346564 /nfs/dbraw/zinc/34/65/64/631346564.db2.gz ZWXIRKPDIQEEAW-GUYCJALGSA-N 1 1 269.392 2.619 20 30 CFEDMO COc1ccc([C@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1O ZINC000810237651 631347749 /nfs/dbraw/zinc/34/77/49/631347749.db2.gz DKNNLJGMPRPWAA-NSHDSACASA-N 1 1 283.331 2.518 20 30 CFEDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)c1ccc(C)c(C#N)c1 ZINC000810615218 631405385 /nfs/dbraw/zinc/40/53/85/631405385.db2.gz NMWINISTDUWNEV-GFCCVEGCSA-N 1 1 283.331 2.617 20 30 CFEDMO CC(C)(C)[C@H](C#N)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810666789 631422688 /nfs/dbraw/zinc/42/26/88/631422688.db2.gz UZAUDBXMEYKWTN-NHYWBVRUSA-N 1 1 284.375 2.680 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCC(C)(C)CC#N)C1 ZINC000810676500 631425317 /nfs/dbraw/zinc/42/53/17/631425317.db2.gz SPVOZHXWFXHGBB-OAHLLOKOSA-N 1 1 284.375 2.682 20 30 CFEDMO c1ccc([C@@H]2CC(=NN3CCOCC3)CC[N@@H+]2C2CC2)cc1 ZINC000841606093 631429041 /nfs/dbraw/zinc/42/90/41/631429041.db2.gz YHZOXEMEYIVUOE-SFHVURJKSA-N 1 1 299.418 2.674 20 30 CFEDMO C#CCC1(OC(=O)C[N@@H+](C)CCCCCC)CCC1 ZINC000810749890 631439998 /nfs/dbraw/zinc/43/99/98/631439998.db2.gz XYRRIXQYOMLPKM-UHFFFAOYSA-N 1 1 265.397 2.988 20 30 CFEDMO C#CCC1(OC(=O)C[N@H+](C)CCCCCC)CCC1 ZINC000810749890 631440001 /nfs/dbraw/zinc/44/00/01/631440001.db2.gz XYRRIXQYOMLPKM-UHFFFAOYSA-N 1 1 265.397 2.988 20 30 CFEDMO Clc1cccc([C@@H]2CCCC(N=NC3=[NH+]CCN3)C2)c1 ZINC000841659313 631446067 /nfs/dbraw/zinc/44/60/67/631446067.db2.gz JHJQDEHTYUDSFP-GFCCVEGCSA-N 1 1 290.798 2.902 20 30 CFEDMO CC(CC12CC3CC(CC(C3)C1)C2)N=NC1=[NH+]CCN1 ZINC000841661076 631446442 /nfs/dbraw/zinc/44/64/42/631446442.db2.gz JRFDIQSQYOHRAV-UHFFFAOYSA-N 1 1 274.412 2.518 20 30 CFEDMO CC(C)Sc1cccc(Cl)c1C=NNC1=[NH+]CCN1 ZINC000841662453 631447324 /nfs/dbraw/zinc/44/73/24/631447324.db2.gz XQZIECKDCYUGHV-UHFFFAOYSA-N 1 1 296.827 2.723 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810838846 631451413 /nfs/dbraw/zinc/45/14/13/631451413.db2.gz YCMRZCPBOUWFBO-BFHYXJOUSA-N 1 1 251.370 2.759 20 30 CFEDMO COCCCC[N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000841690260 631452604 /nfs/dbraw/zinc/45/26/04/631452604.db2.gz DNKNYTIYBIXMRB-UHFFFAOYSA-N 1 1 298.390 2.738 20 30 CFEDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(C#N)cs2)c1 ZINC000842152845 631554084 /nfs/dbraw/zinc/55/40/84/631554084.db2.gz KCBAXBJRKXQCAP-VIFPVBQESA-N 1 1 289.360 2.580 20 30 CFEDMO C[C@@H]1C(=NN[C@@H]2CCSC2)CC[N@H+]1Cc1ccccc1 ZINC000811650162 631593392 /nfs/dbraw/zinc/59/33/92/631593392.db2.gz NSFCQDGCGVCTCT-UKRRQHHQSA-N 1 1 289.448 2.732 20 30 CFEDMO C[C@@H]1C(=NN[C@@H]2CCSC2)CC[N@@H+]1Cc1ccccc1 ZINC000811650162 631593400 /nfs/dbraw/zinc/59/34/00/631593400.db2.gz NSFCQDGCGVCTCT-UKRRQHHQSA-N 1 1 289.448 2.732 20 30 CFEDMO CC[C@H](O)CN[NH+]=C(C)c1cc(Cl)c(N)c(Cl)c1 ZINC000811655076 631595564 /nfs/dbraw/zinc/59/55/64/631595564.db2.gz DQOFBZHBGATMKW-VIFPVBQESA-N 1 1 290.194 2.660 20 30 CFEDMO CCOCCC[N@H+]1CCC(=NOC/C=C/Cl)[C@H](C)C1 ZINC000811672132 631604562 /nfs/dbraw/zinc/60/45/62/631604562.db2.gz QXKFTCJLKNECJW-CLNOMLODSA-N 1 1 288.819 2.880 20 30 CFEDMO C=CC[N@H+](CN1CC[C@H](Cc2ccccc2)C1=O)C1CC1 ZINC000811763297 631619256 /nfs/dbraw/zinc/61/92/56/631619256.db2.gz WYMDVKKEKOALGG-MRXNPFEDSA-N 1 1 284.403 2.686 20 30 CFEDMO C=CC[N@@H+](CN1CC[C@H](Cc2ccccc2)C1=O)C1CC1 ZINC000811763297 631619258 /nfs/dbraw/zinc/61/92/58/631619258.db2.gz WYMDVKKEKOALGG-MRXNPFEDSA-N 1 1 284.403 2.686 20 30 CFEDMO CC[N@@H+](CCNc1c(C#N)cnc2c(C)cccc21)C(C)C ZINC000811799436 631623750 /nfs/dbraw/zinc/62/37/50/631623750.db2.gz WJPUKVOMPVCTSC-UHFFFAOYSA-N 1 1 296.418 2.979 20 30 CFEDMO C[C@H](CO)N(C)[NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000842541545 631659257 /nfs/dbraw/zinc/65/92/57/631659257.db2.gz JICSNXJYAVNRRV-GFCCVEGCSA-N 1 1 295.814 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GBYHUSREUDVIHQ-UHFFFAOYSA-N 1 1 257.377 2.939 20 30 CFEDMO CC[N@H+](CC1(C#N)CC1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850458 631796007 /nfs/dbraw/zinc/79/60/07/631796007.db2.gz SRVWHFMHWJHJSF-HIFRSBDPSA-N 1 1 258.365 2.734 20 30 CFEDMO CC[N@@H+](CC1(C#N)CC1)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850458 631796010 /nfs/dbraw/zinc/79/60/10/631796010.db2.gz SRVWHFMHWJHJSF-HIFRSBDPSA-N 1 1 258.365 2.734 20 30 CFEDMO C#CC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)C1CCCC1 ZINC000155784308 650031587 /nfs/dbraw/zinc/03/15/87/650031587.db2.gz AXRCSLDBVTXJBF-GDBMZVCRSA-N 1 1 276.424 2.559 20 30 CFEDMO CC(C)C[C@@](C)(C#N)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000813061491 631822647 /nfs/dbraw/zinc/82/26/47/631822647.db2.gz JAJVQJMCXUVQFW-HOTGVXAUSA-N 1 1 297.418 2.643 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000843062296 631824713 /nfs/dbraw/zinc/82/47/13/631824713.db2.gz HHMPKYAKWRPPFY-KSSFIOAISA-N 1 1 293.370 2.906 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+]C[C@@H](O)c1cc2ccccc2s1 ZINC000843077543 631828957 /nfs/dbraw/zinc/82/89/57/631828957.db2.gz SLYVKDMLOGBDBB-TZMCWYRMSA-N 1 1 299.399 2.968 20 30 CFEDMO C#CC[N@H+](C[C@H](O)COc1ccccc1C)C1CCCC1 ZINC000155800811 650032794 /nfs/dbraw/zinc/03/27/94/650032794.db2.gz DCTKHUYVELUNBQ-KRWDZBQOSA-N 1 1 287.403 2.613 20 30 CFEDMO C#CC[N@H+](CC(=O)N1[C@H](C)CCC[C@@H]1C)C1CCCC1 ZINC000155839849 650033967 /nfs/dbraw/zinc/03/39/67/650033967.db2.gz LUBXLRHKXLMEOG-GASCZTMLSA-N 1 1 276.424 2.654 20 30 CFEDMO C#CC[N@@H+](CCOc1ccccc1C#N)C1CCCC1 ZINC000155924571 650037053 /nfs/dbraw/zinc/03/70/53/650037053.db2.gz ZFXYRZODFPGKEH-UHFFFAOYSA-N 1 1 268.360 2.815 20 30 CFEDMO C=CCN1CCC([NH2+][C@H](C)c2cn3c(n2)CCCC3)CC1 ZINC000813327308 631901507 /nfs/dbraw/zinc/90/15/07/631901507.db2.gz ZWMMUZGJVMFHNR-CQSZACIVSA-N 1 1 288.439 2.520 20 30 CFEDMO Cc1[nH+]ccn1-c1ncccc1NC(=O)CCCCCC#N ZINC000813413840 631919100 /nfs/dbraw/zinc/91/91/00/631919100.db2.gz CSMRQULKEWPANO-UHFFFAOYSA-N 1 1 297.362 2.988 20 30 CFEDMO N#CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843406649 631946495 /nfs/dbraw/zinc/94/64/95/631946495.db2.gz QTTXDZQLUSYZCG-MRXNPFEDSA-N 1 1 269.392 2.687 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000843413701 631947801 /nfs/dbraw/zinc/94/78/01/631947801.db2.gz NELLHZFAHRIBPW-MRXNPFEDSA-N 1 1 273.376 2.698 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000843423432 631951989 /nfs/dbraw/zinc/95/19/89/631951989.db2.gz DFCCMKRXBFYSJD-OAHLLOKOSA-N 1 1 280.375 2.503 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](CC(C)(C)CC(=O)OCC)C1 ZINC000843422672 631952379 /nfs/dbraw/zinc/95/23/79/631952379.db2.gz HYMOUWQAFGUORF-CQSZACIVSA-N 1 1 265.397 2.701 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccnn2CC(C)C)C1 ZINC000843424245 631953441 /nfs/dbraw/zinc/95/34/41/631953441.db2.gz WPRITRBTGRKAOE-OAHLLOKOSA-N 1 1 259.397 2.774 20 30 CFEDMO N#Cc1cccn(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1=O ZINC000814225242 632040991 /nfs/dbraw/zinc/04/09/91/632040991.db2.gz RATJQOUHMMPMTM-QGZVFWFLSA-N 1 1 293.370 2.557 20 30 CFEDMO N#Cc1cccn(C[N@H+]2CCC[C@@H](c3ccccc3)C2)c1=O ZINC000814225242 632040996 /nfs/dbraw/zinc/04/09/96/632040996.db2.gz RATJQOUHMMPMTM-QGZVFWFLSA-N 1 1 293.370 2.557 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(C)(C)[C@H]1c1ccccc1 ZINC000843774822 632054098 /nfs/dbraw/zinc/05/40/98/632054098.db2.gz NQLLWLNQEGTOFZ-DLBZAZTESA-N 1 1 296.414 2.694 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(C)[C@H]1c1ccccc1 ZINC000843774822 632054103 /nfs/dbraw/zinc/05/41/03/632054103.db2.gz NQLLWLNQEGTOFZ-DLBZAZTESA-N 1 1 296.414 2.694 20 30 CFEDMO Cc1ccc(N(CCC#N)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000843777206 632054922 /nfs/dbraw/zinc/05/49/22/632054922.db2.gz CFYWJUUCMWYYIJ-GDBMZVCRSA-N 1 1 285.391 2.582 20 30 CFEDMO C#C[C@@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)c1ccccc1 ZINC000843965870 632085149 /nfs/dbraw/zinc/08/51/49/632085149.db2.gz UAEWWJUZKDIJGA-GOEBONIOSA-N 1 1 295.386 2.887 20 30 CFEDMO C#C[C@H](NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1 ZINC000843968601 632086300 /nfs/dbraw/zinc/08/63/00/632086300.db2.gz YEEUGMNOYGTDRE-DLTWYDFYSA-N 1 1 284.403 2.738 20 30 CFEDMO C#CC[C@H]1CCCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000843998817 632091972 /nfs/dbraw/zinc/09/19/72/632091972.db2.gz CNKNTLFZWWIOSF-CABCVRRESA-N 1 1 287.407 2.659 20 30 CFEDMO Cc1cc(C)cc(N[NH+]=Cc2cnc(N(C)C)nc2)c1 ZINC000814753209 632118382 /nfs/dbraw/zinc/11/83/82/632118382.db2.gz IBGXJSDVKPTHFU-UHFFFAOYSA-N 1 1 269.352 2.605 20 30 CFEDMO C#CC[C@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000844147536 632127276 /nfs/dbraw/zinc/12/72/76/632127276.db2.gz DLHQNAINCZGMHK-HOTGVXAUSA-N 1 1 276.424 2.513 20 30 CFEDMO CN(C)c1ncc(C=[NH+]Nc2cccc3c2CCCC3)cn1 ZINC000814811362 632130986 /nfs/dbraw/zinc/13/09/86/632130986.db2.gz BJNLQIIWRMUDJV-UHFFFAOYSA-N 1 1 295.390 2.867 20 30 CFEDMO CCCCCCCCC[N@@H+](C)C[C@@H]1CCC(=O)N1 ZINC000844279417 632154235 /nfs/dbraw/zinc/15/42/35/632154235.db2.gz OMZLTZYPYHBYEF-AWEZNQCLSA-N 1 1 254.418 2.947 20 30 CFEDMO C[C@H]1C(N=Nc2cnn(C)c2)CCC[N@H+]1Cc1ccccc1 ZINC000814915369 632163674 /nfs/dbraw/zinc/16/36/74/632163674.db2.gz URYWKODDYXHJII-AWEZNQCLSA-N 1 1 297.406 2.873 20 30 CFEDMO CCc1cccc(C)c1N[NH+]=Cc1c(C)nn(C)c1N ZINC000814923520 632167134 /nfs/dbraw/zinc/16/71/34/632167134.db2.gz SVFZPBSNDKJBDL-UHFFFAOYSA-N 1 1 271.368 2.628 20 30 CFEDMO C#CC[N@@H+](C)CCCNc1nc2cc(C)ccc2o1 ZINC000814928856 632169013 /nfs/dbraw/zinc/16/90/13/632169013.db2.gz AGQPXQABODUQDB-UHFFFAOYSA-N 1 1 257.337 2.503 20 30 CFEDMO CC1(C)CC(=[NH+]OCC2CC2)c2cc(N)ccc2O1 ZINC000814940897 632175943 /nfs/dbraw/zinc/17/59/43/632175943.db2.gz FVDSOGLKAAUSSK-UHFFFAOYSA-N 1 1 260.337 2.961 20 30 CFEDMO Fc1ccc(N=NC2CC[N@H+]3CCC[C@H]23)c(F)c1F ZINC000814945387 632176914 /nfs/dbraw/zinc/17/69/14/632176914.db2.gz BEYRRUYVQOCAFP-LLVKDONJSA-N 1 1 269.270 2.740 20 30 CFEDMO C[N@@H+](CCCc1ccncc1)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371365 632183273 /nfs/dbraw/zinc/18/32/73/632183273.db2.gz NYUSPVORZXKSCW-GOSISDBHSA-N 1 1 295.386 2.551 20 30 CFEDMO C#CC[N@H+](CCOCC=C)[C@H]1CCc2ccccc21 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C#CCNC(=O)CC[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000815064189 632194075 /nfs/dbraw/zinc/19/40/75/632194075.db2.gz BIURONFWFKBJSY-SFHVURJKSA-N 1 1 296.414 2.668 20 30 CFEDMO C#CCNC(=O)CC[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000815062459 632194080 /nfs/dbraw/zinc/19/40/80/632194080.db2.gz VCGKGGJLKRQVIJ-SFHVURJKSA-N 1 1 298.430 2.613 20 30 CFEDMO C#CCNC(=O)CC[N@H+]1CCCC2(CCCCC2)CC1 ZINC000815101040 632201374 /nfs/dbraw/zinc/20/13/74/632201374.db2.gz WWAPBAMXGLCJNG-UHFFFAOYSA-N 1 1 276.424 2.562 20 30 CFEDMO COc1ccc(F)c(C[NH2+]CC#Cc2ccccc2)c1 ZINC000815125097 632208347 /nfs/dbraw/zinc/20/83/47/632208347.db2.gz UEJIPKXFFLJEJE-UHFFFAOYSA-N 1 1 269.319 2.976 20 30 CFEDMO C=CCC(F)(F)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000815170875 632222307 /nfs/dbraw/zinc/22/23/07/632222307.db2.gz DTXITMWIMCGTIO-ZDUSSCGKSA-N 1 1 288.382 2.969 20 30 CFEDMO CCCC[N@@H+](CC(=O)NCCC#N)[C@@H]1CCC[C@H](C)C1 ZINC000815197389 632227244 /nfs/dbraw/zinc/22/72/44/632227244.db2.gz PGWHCDYHEHVCCK-LSDHHAIUSA-N 1 1 279.428 2.697 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C#C[C@H]1CCC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000848924722 633407209 /nfs/dbraw/zinc/40/72/09/633407209.db2.gz YVKWZKWMYNWDNK-ZDUSSCGKSA-N 1 1 259.349 2.636 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000848924536 633407483 /nfs/dbraw/zinc/40/74/83/633407483.db2.gz UYOVIIGAZFQXIO-CABCVRRESA-N 1 1 255.361 2.898 20 30 CFEDMO COc1cccc(O)c1/C=N/C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000849171393 633578737 /nfs/dbraw/zinc/57/87/37/633578737.db2.gz VJONNDGCUGWSGQ-OOIIIRTPSA-N 1 1 276.380 2.693 20 30 CFEDMO CC(C)(C)c1nc(CO[NH+]=C(N)C2CCCCC2)no1 ZINC000109062442 633801385 /nfs/dbraw/zinc/80/13/85/633801385.db2.gz XLMNNCYZNNQDIA-UHFFFAOYSA-N 1 1 280.372 2.736 20 30 CFEDMO C=CCCn1cc(C[NH2+]C/C=C/c2ccccc2)nn1 ZINC000850135671 633852421 /nfs/dbraw/zinc/85/24/21/633852421.db2.gz USDJDISXXSRQIT-JXMROGBWSA-N 1 1 268.364 2.657 20 30 CFEDMO C#CCOc1ccc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000850351724 633950331 /nfs/dbraw/zinc/95/03/31/633950331.db2.gz RWUACKSFOIMDLY-MRXNPFEDSA-N 1 1 286.419 2.661 20 30 CFEDMO C#CCOc1ccc(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000850351724 633950333 /nfs/dbraw/zinc/95/03/33/633950333.db2.gz RWUACKSFOIMDLY-MRXNPFEDSA-N 1 1 286.419 2.661 20 30 CFEDMO COc1ccc(CN[C@H]2CC[N@H+](C(C)(C)C)C2)cc1C#N ZINC000850351556 633950907 /nfs/dbraw/zinc/95/09/07/633950907.db2.gz QBGVHQAVZDKPJC-HNNXBMFYSA-N 1 1 287.407 2.529 20 30 CFEDMO COc1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2)cc1C#N ZINC000850351556 633950912 /nfs/dbraw/zinc/95/09/12/633950912.db2.gz QBGVHQAVZDKPJC-HNNXBMFYSA-N 1 1 287.407 2.529 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nccn1C ZINC000850410609 633981699 /nfs/dbraw/zinc/98/16/99/633981699.db2.gz QTZJCKUXLDOJAD-CQSZACIVSA-N 1 1 297.406 2.621 20 30 CFEDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(OC)c(C#N)c1 ZINC000850409965 633982191 /nfs/dbraw/zinc/98/21/91/633982191.db2.gz JSJDODTUWDTTIH-UHFFFAOYSA-N 1 1 289.423 2.777 20 30 CFEDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000850409965 633982194 /nfs/dbraw/zinc/98/21/94/633982194.db2.gz JSJDODTUWDTTIH-UHFFFAOYSA-N 1 1 289.423 2.777 20 30 CFEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2nccn2C)cc1 ZINC000850572200 634056633 /nfs/dbraw/zinc/05/66/33/634056633.db2.gz IGHGDMSYXJZCQL-KBPBESRZSA-N 1 1 283.375 2.844 20 30 CFEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1ccccc1O ZINC000109773401 634234785 /nfs/dbraw/zinc/23/47/85/634234785.db2.gz ZBLFGOUMESHWHD-UHFFFAOYSA-N 1 1 252.317 2.896 20 30 CFEDMO C[C@H](CC(C)(C)C#N)OC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000851204868 634269192 /nfs/dbraw/zinc/26/91/92/634269192.db2.gz DUTWCMLOULVMGV-GFCCVEGCSA-N 1 1 298.346 2.752 20 30 CFEDMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H](C)CC(C)(C)C#N ZINC000851207099 634270869 /nfs/dbraw/zinc/27/08/69/634270869.db2.gz SNHYDXBJAWPLQW-OLZOCXBDSA-N 1 1 266.385 2.732 20 30 CFEDMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H](C)CC(C)(C)C#N ZINC000851207099 634270872 /nfs/dbraw/zinc/27/08/72/634270872.db2.gz SNHYDXBJAWPLQW-OLZOCXBDSA-N 1 1 266.385 2.732 20 30 CFEDMO C=C[C@@H](OC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccccc1 ZINC000851452516 634368939 /nfs/dbraw/zinc/36/89/39/634368939.db2.gz UEVOCNNQTWSTDF-HUUCEWRRSA-N 1 1 291.416 2.894 20 30 CFEDMO C=C[C@@H](OC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccccc1 ZINC000851452516 634368941 /nfs/dbraw/zinc/36/89/41/634368941.db2.gz UEVOCNNQTWSTDF-HUUCEWRRSA-N 1 1 291.416 2.894 20 30 CFEDMO C#Cc1cccnc1NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000853161716 634922753 /nfs/dbraw/zinc/92/27/53/634922753.db2.gz YSBIWRXNYNUHJF-KBPBESRZSA-N 1 1 257.381 2.595 20 30 CFEDMO CO[C@H](C=[NH+]n1cnnc1-c1ccccc1)C1CCCC1 ZINC000853284008 634958164 /nfs/dbraw/zinc/95/81/64/634958164.db2.gz LUJDYXNNQXKILN-OAHLLOKOSA-N 1 1 284.363 2.984 20 30 CFEDMO C#Cc1cccnc1NCC[N@@H+]1CCCC[C@@H]1CC ZINC000853329638 634970524 /nfs/dbraw/zinc/97/05/24/634970524.db2.gz NAZQZDOVBFGXGK-HNNXBMFYSA-N 1 1 257.381 2.739 20 30 CFEDMO Cc1cccc(NCCNc2nc(C#N)c(Cl)s2)[nH+]1 ZINC000853328923 634970576 /nfs/dbraw/zinc/97/05/76/634970576.db2.gz ZXCDJSCICBGKHA-UHFFFAOYSA-N 1 1 293.783 2.896 20 30 CFEDMO C[C@H]1CCC[N@H+]1CCNc1nc(C#N)c(Cl)s1 ZINC000853389890 634990603 /nfs/dbraw/zinc/99/06/03/634990603.db2.gz CUDLOTKEBZJZCX-QMMMGPOBSA-N 1 1 270.789 2.564 20 30 CFEDMO C[C@@H]1CC(N=Nc2ccnc(Cl)c2)C[N@H+]1C1CC1 ZINC000853395357 634992139 /nfs/dbraw/zinc/99/21/39/634992139.db2.gz UNZWFZOUPYNTCH-SECBINFHSA-N 1 1 264.760 2.760 20 30 CFEDMO Cc1ccc(N[NH2+]C2=CC(=O)N3CCCC[C@H]23)cc1F ZINC000853438448 635000089 /nfs/dbraw/zinc/00/00/89/635000089.db2.gz BOUSJCITBTYPRG-CQSZACIVSA-N 1 1 275.327 2.687 20 30 CFEDMO C=CCCC[N@@H+](C)CN1Cc2cc(F)c(F)cc2C1=O ZINC000853497422 635018280 /nfs/dbraw/zinc/01/82/80/635018280.db2.gz YRPYZZHMFKCWBE-UHFFFAOYSA-N 1 1 280.318 2.776 20 30 CFEDMO C=CCCC[N@H+](C)CN1Cc2cc(F)c(F)cc2C1=O ZINC000853497422 635018283 /nfs/dbraw/zinc/01/82/83/635018283.db2.gz YRPYZZHMFKCWBE-UHFFFAOYSA-N 1 1 280.318 2.776 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](CN2CC[C@H](C3CCCCC3)C2=O)C1 ZINC000853520324 635026197 /nfs/dbraw/zinc/02/61/97/635026197.db2.gz XDVBTMHWPLIIDQ-DOTOQJQBSA-N 1 1 288.435 2.718 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CN2CC[C@H](C3CCCCC3)C2=O)C1 ZINC000853520324 635026201 /nfs/dbraw/zinc/02/62/01/635026201.db2.gz XDVBTMHWPLIIDQ-DOTOQJQBSA-N 1 1 288.435 2.718 20 30 CFEDMO C=CC[N@@H+](Cc1c(O)ccc2ccncc21)[C@H](C)COC ZINC000853532780 635029731 /nfs/dbraw/zinc/02/97/31/635029731.db2.gz MPJIKQADOVMUDB-CYBMUJFWSA-N 1 1 286.375 2.963 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](CN2C(=O)c3ccccc3C2=O)C1 ZINC000853535973 635030330 /nfs/dbraw/zinc/03/03/30/635030330.db2.gz ICABLNXPLJSUEX-ZDUSSCGKSA-N 1 1 284.359 2.528 20 30 CFEDMO C=CC[C@H]1CCC[N@@H+](CN2C(=O)c3ccccc3C2=O)C1 ZINC000853535973 635030334 /nfs/dbraw/zinc/03/03/34/635030334.db2.gz ICABLNXPLJSUEX-ZDUSSCGKSA-N 1 1 284.359 2.528 20 30 CFEDMO C=CC[N@@H+](Cc1cc(OC)c(C)cc1O)[C@H](C)COC ZINC000853535693 635030841 /nfs/dbraw/zinc/03/08/41/635030841.db2.gz ZPRKNQVARXEZDQ-CYBMUJFWSA-N 1 1 279.380 2.732 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](CN2C(=O)C(C)(C)[C@@H]2C2CC2)C1 ZINC000853537187 635031945 /nfs/dbraw/zinc/03/19/45/635031945.db2.gz QSQSBPGNZLBFMQ-ZFWWWQNUSA-N 1 1 276.424 2.879 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@H]3C[C@H]3C2)c1O ZINC000853577150 635040091 /nfs/dbraw/zinc/04/00/91/635040091.db2.gz HBVRTRRNFVXCLU-JSGCOSHPSA-N 1 1 273.376 2.971 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1CC2(CCCC2)OC1=O ZINC000853598830 635045962 /nfs/dbraw/zinc/04/59/62/635045962.db2.gz XAPSVWLCYZYMER-OKILXGFUSA-N 1 1 276.380 2.892 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1 ZINC000853598475 635046351 /nfs/dbraw/zinc/04/63/51/635046351.db2.gz RQSBDPTXJDJWSG-YYIAUSFCSA-N 1 1 286.419 2.774 20 30 CFEDMO C=CCc1cc(C[N@@H+]2CC[C@@](C)(C#N)C2)c(O)c(OC)c1 ZINC000853599922 635046413 /nfs/dbraw/zinc/04/64/13/635046413.db2.gz YPGOJDJGYJTBKK-KRWDZBQOSA-N 1 1 286.375 2.865 20 30 CFEDMO C=CCc1cc(C[N@H+]2CC[C@@](C)(C#N)C2)c(O)c(OC)c1 ZINC000853599922 635046416 /nfs/dbraw/zinc/04/64/16/635046416.db2.gz YPGOJDJGYJTBKK-KRWDZBQOSA-N 1 1 286.375 2.865 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)[C@@H]2CCCCC[C@H]21 ZINC000853598114 635046426 /nfs/dbraw/zinc/04/64/26/635046426.db2.gz LDJWJKFQSRLHEH-QKPAOTATSA-N 1 1 274.408 2.918 20 30 CFEDMO C#Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000854315305 635285299 /nfs/dbraw/zinc/28/52/99/635285299.db2.gz YSNXUTDDORKLJM-HNNXBMFYSA-N 1 1 285.391 2.662 20 30 CFEDMO C#CC[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC000112350050 635337916 /nfs/dbraw/zinc/33/79/16/635337916.db2.gz KUVCRMSCAVVNFE-UHFFFAOYSA-N 1 1 264.756 2.624 20 30 CFEDMO C#CC[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1 ZINC000112350050 635337934 /nfs/dbraw/zinc/33/79/34/635337934.db2.gz KUVCRMSCAVVNFE-UHFFFAOYSA-N 1 1 264.756 2.624 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)/C=C\c2ccccc2C#N)C1 ZINC000855287974 635502128 /nfs/dbraw/zinc/50/21/28/635502128.db2.gz ZZDUWUGSKJWTNK-QWGSZXSUSA-N 1 1 297.402 2.560 20 30 CFEDMO C=CCCC[N@@H+](C)CCS(=O)(=O)C1CCCCC1 ZINC000856726975 635841770 /nfs/dbraw/zinc/84/17/70/635841770.db2.gz UDRXVSVZKOCNPP-UHFFFAOYSA-N 1 1 273.442 2.632 20 30 CFEDMO C=CCCC[N@H+](C)CCS(=O)(=O)C1CCCCC1 ZINC000856726975 635841777 /nfs/dbraw/zinc/84/17/77/635841777.db2.gz UDRXVSVZKOCNPP-UHFFFAOYSA-N 1 1 273.442 2.632 20 30 CFEDMO Cn1cc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c(Cl)n1 ZINC000856783223 635858867 /nfs/dbraw/zinc/85/88/67/635858867.db2.gz PESBCILMCXGUEQ-AWEZNQCLSA-N 1 1 286.766 2.722 20 30 CFEDMO C#CCCC[N@@H+]1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC000856816541 635869522 /nfs/dbraw/zinc/86/95/22/635869522.db2.gz QVTRUHYHDJXMCL-WMLDXEAASA-N 1 1 292.423 2.779 20 30 CFEDMO C#C[C@H](CC)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857192049 635944301 /nfs/dbraw/zinc/94/43/01/635944301.db2.gz ZARCTOKNXQQLDQ-DLBZAZTESA-N 1 1 284.403 2.637 20 30 CFEDMO C=CCCONC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857330692 635966432 /nfs/dbraw/zinc/96/64/32/635966432.db2.gz LPMXECKBHACCOB-MRXNPFEDSA-N 1 1 288.391 2.733 20 30 CFEDMO C#CC[N@H+](CCc1ccc(OC)c(OC)c1)CC(C)C ZINC000115556618 636022729 /nfs/dbraw/zinc/02/27/29/636022729.db2.gz DPFUNCFYQDFJJN-UHFFFAOYSA-N 1 1 275.392 2.838 20 30 CFEDMO CCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000858109801 636128250 /nfs/dbraw/zinc/12/82/50/636128250.db2.gz AJBZGTFLUSPIGL-CABCVRRESA-N 1 1 281.444 2.883 20 30 CFEDMO C#CC[C@H](COC)[NH2+]Cc1ncc(C(C)(C)C)s1 ZINC000858335302 636195546 /nfs/dbraw/zinc/19/55/46/636195546.db2.gz RICSXLUPXSEJTK-LLVKDONJSA-N 1 1 266.410 2.569 20 30 CFEDMO C[C@@H]1OCC[C@@]12C[N@@H+](CC1CCC(C#N)CC1)C[C@@H](C)O2 ZINC000930266404 636380772 /nfs/dbraw/zinc/38/07/72/636380772.db2.gz CGTOAPPXXNYGIE-RNONSGAXSA-N 1 1 292.423 2.585 20 30 CFEDMO C#CC[N@@H+](CCOC1CCOCC1)[C@@H]1CCc2ccccc21 ZINC000859090589 636449849 /nfs/dbraw/zinc/44/98/49/636449849.db2.gz UZBGMBDTWWPESD-LJQANCHMSA-N 1 1 299.414 2.805 20 30 CFEDMO C#CCCOC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000859145956 636473339 /nfs/dbraw/zinc/47/33/39/636473339.db2.gz PXOPBGAGYNPKIE-OAHLLOKOSA-N 1 1 278.396 2.533 20 30 CFEDMO C[C@H]([NH2+]Cc1cc(Cl)n(C)n1)c1cccc(C#N)c1 ZINC000859231949 636516909 /nfs/dbraw/zinc/51/69/09/636516909.db2.gz OQUXVPOPSJQUNJ-JTQLQIEISA-N 1 1 274.755 2.796 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)c2cc(OC)ccc2OC)C1 ZINC000859444670 636564426 /nfs/dbraw/zinc/56/44/26/636564426.db2.gz WGRZGHRVUCYNCL-CZUORRHYSA-N 1 1 291.391 2.635 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000859445778 636565747 /nfs/dbraw/zinc/56/57/47/636565747.db2.gz OLALPFDIMXXZAI-CQSZACIVSA-N 1 1 265.397 2.818 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000859445793 636566642 /nfs/dbraw/zinc/56/66/42/636566642.db2.gz OVFURVCDCIVGMN-NSHDSACASA-N 1 1 291.307 2.901 20 30 CFEDMO C=CC[C@H]1CC[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000859446347 636566698 /nfs/dbraw/zinc/56/66/98/636566698.db2.gz XVKHZIXJPTXABS-OLZOCXBDSA-N 1 1 268.401 2.798 20 30 CFEDMO C=C(CC)C[N@@H+](CC)CCNC(=O)OC(C)(C)C ZINC000859533151 636591571 /nfs/dbraw/zinc/59/15/71/636591571.db2.gz GPDIUZLUHXVIHN-UHFFFAOYSA-N 1 1 256.390 2.799 20 30 CFEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)OC(C)(C)C)C1 ZINC000860037703 636766600 /nfs/dbraw/zinc/76/66/00/636766600.db2.gz YRRCPFLUJUZWBR-AJNGGQMLSA-N 1 1 292.423 2.750 20 30 CFEDMO C#CCOCC[N@H+]([C@@H](C)COC)[C@H]1CCc2ccccc21 ZINC000860111726 636789607 /nfs/dbraw/zinc/78/96/07/636789607.db2.gz PPCFKLZOCUQFLQ-YJBOKZPZSA-N 1 1 287.403 2.661 20 30 CFEDMO C=C1[C@@H]2C[C@H](C[C@@H]1OC(=O)Cn1c[nH+]cc1C)C2(C)C ZINC000860709733 636951509 /nfs/dbraw/zinc/95/15/09/636951509.db2.gz QMLZVWDLMHOKDW-RDBSUJKOSA-N 1 1 274.364 2.726 20 30 CFEDMO C=CC[C@@H]1CCCC[C@@H]1OC(=O)Cn1c[nH+]cc1C ZINC000860870287 636996839 /nfs/dbraw/zinc/99/68/39/636996839.db2.gz NTWDAGAKJNWZAK-KGLIPLIRSA-N 1 1 262.353 2.870 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CC(N)=NOCc1ccc(F)c(F)c1 ZINC000117868781 637028743 /nfs/dbraw/zinc/02/87/43/637028743.db2.gz AXMGGTQXJUHBCK-LLVKDONJSA-N 1 1 297.349 2.628 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccsc2)C1 ZINC001015690677 651210129 /nfs/dbraw/zinc/21/01/29/651210129.db2.gz WSHLVFNXFOHHEX-JSGCOSHPSA-N 1 1 278.421 2.618 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)Cc1cccc2n[nH]cc21 ZINC000862212517 637288736 /nfs/dbraw/zinc/28/87/36/637288736.db2.gz JEKVLAJXXCJGBW-UHFFFAOYSA-N 1 1 256.353 2.935 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1cc(C)c(Br)cn1 ZINC000862349296 637325959 /nfs/dbraw/zinc/32/59/59/637325959.db2.gz WSOJGFVHUNGQMJ-JTQLQIEISA-N 1 1 267.170 2.606 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(C)c(Br)cn1 ZINC000862349296 637325967 /nfs/dbraw/zinc/32/59/67/637325967.db2.gz WSOJGFVHUNGQMJ-JTQLQIEISA-N 1 1 267.170 2.606 20 30 CFEDMO CCCCCCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000862355229 637329058 /nfs/dbraw/zinc/32/90/58/637329058.db2.gz HCYJXSISGAGETM-AWEZNQCLSA-N 1 1 277.412 2.841 20 30 CFEDMO CCCCCCCNC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000862358068 637331563 /nfs/dbraw/zinc/33/15/63/637331563.db2.gz SGHPVNMXIHTLGG-UHFFFAOYSA-N 1 1 277.412 2.849 20 30 CFEDMO CCCCCCCNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000862357847 637331953 /nfs/dbraw/zinc/33/19/53/637331953.db2.gz JQSUCKSQWXEOQA-CYBMUJFWSA-N 1 1 272.458 2.510 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000862442667 637382477 /nfs/dbraw/zinc/38/24/77/637382477.db2.gz FIHLDCACCVATKL-AWEZNQCLSA-N 1 1 295.386 2.931 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(/C=C/C(=O)OC)o2)C1 ZINC000862442166 637382491 /nfs/dbraw/zinc/38/24/91/637382491.db2.gz YDCRHMGSFJLJCY-SBDDDAINSA-N 1 1 275.348 2.864 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000862444203 637383949 /nfs/dbraw/zinc/38/39/49/637383949.db2.gz ZHVUGLKMGGNAEU-CQSZACIVSA-N 1 1 271.360 2.693 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000862445154 637385704 /nfs/dbraw/zinc/38/57/04/637385704.db2.gz NHDBGTCVVGJLLQ-HNNXBMFYSA-N 1 1 297.377 2.916 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000862445466 637387311 /nfs/dbraw/zinc/38/73/11/637387311.db2.gz URRWMRJFQIQLRV-HNNXBMFYSA-N 1 1 271.408 2.771 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2ccnc(Cl)c2F)C1 ZINC000862447405 637387437 /nfs/dbraw/zinc/38/74/37/637387437.db2.gz MNYJUHWFQACHHQ-JTQLQIEISA-N 1 1 252.720 2.719 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccnc(Cl)c2F)C1 ZINC000862447405 637387443 /nfs/dbraw/zinc/38/74/43/637387443.db2.gz MNYJUHWFQACHHQ-JTQLQIEISA-N 1 1 252.720 2.719 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000862445467 637388041 /nfs/dbraw/zinc/38/80/41/637388041.db2.gz URRWMRJFQIQLRV-OAHLLOKOSA-N 1 1 271.408 2.771 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000862447943 637388975 /nfs/dbraw/zinc/38/89/75/637388975.db2.gz SSCRPASKEYIRGA-HZPDHXFCSA-N 1 1 287.403 2.946 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862448556 637389759 /nfs/dbraw/zinc/38/97/59/637389759.db2.gz ZWPLJKZPQBVARQ-LBPRGKRZSA-N 1 1 278.346 2.876 20 30 CFEDMO C#CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000862563078 637430418 /nfs/dbraw/zinc/43/04/18/637430418.db2.gz IMOCIIHXGLFDSI-AEFFLSMTSA-N 1 1 296.414 2.523 20 30 CFEDMO O=[N+]([O-])c1ccc(N=NC2C[N@H+]3C[C@@H]2CCC3)c(Cl)c1 ZINC000863089502 637552217 /nfs/dbraw/zinc/55/22/17/637552217.db2.gz WWTBEGZDWDABAV-VIFPVBQESA-N 1 1 294.742 2.742 20 30 CFEDMO CN(C)c1c(C=[NH+]NC2CCCC2)ccc(F)c1F ZINC000863089896 637552689 /nfs/dbraw/zinc/55/26/89/637552689.db2.gz OTOBUNYENXJBRG-UHFFFAOYSA-N 1 1 267.323 2.897 20 30 CFEDMO CC1(C)C(=[NH+]n2cccn2)C[C@@H]1Oc1ccccc1 ZINC000863163997 637576463 /nfs/dbraw/zinc/57/64/63/637576463.db2.gz VXUQIWSIXHMGJQ-AWEZNQCLSA-N 1 1 255.321 2.965 20 30 CFEDMO C[C@H]1CC[N@H+](Cc2ccccc2)CC1=Nn1cccn1 ZINC000863164591 637577435 /nfs/dbraw/zinc/57/74/35/637577435.db2.gz PFCYYBKIZNPRBS-AWEZNQCLSA-N 1 1 268.364 2.629 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1=Nn1cccn1 ZINC000863164591 637577439 /nfs/dbraw/zinc/57/74/39/637577439.db2.gz PFCYYBKIZNPRBS-AWEZNQCLSA-N 1 1 268.364 2.629 20 30 CFEDMO C=CC(C)(C)CCNC(=S)NC[C@@H]1CCC[N@@H+]1CC ZINC000863203229 637587101 /nfs/dbraw/zinc/58/71/01/637587101.db2.gz OKXAUEFQWJVGKM-ZDUSSCGKSA-N 1 1 283.485 2.537 20 30 CFEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@H](C2CC2)O1 ZINC000930270651 637765913 /nfs/dbraw/zinc/76/59/13/637765913.db2.gz OWQRXUANJDKIDH-UWLZSVRSSA-N 1 1 262.397 2.816 20 30 CFEDMO Oc1ccccc1/C=N/C[C@H]1CC[N@H+]1C1CCCC1 ZINC000864345905 637947034 /nfs/dbraw/zinc/94/70/34/637947034.db2.gz JIAIFPMZYGXSRC-QAEAHILHSA-N 1 1 258.365 2.828 20 30 CFEDMO CCO[C@@H](C)c1noc(CO[NH+]=C(N)C2CCCCC2)n1 ZINC000120033802 637959450 /nfs/dbraw/zinc/95/94/50/637959450.db2.gz WGTNAOYFQNBNAZ-JTQLQIEISA-N 1 1 296.371 2.536 20 30 CFEDMO C[NH+](C)Cc1cnc(CNc2cc(F)cc(C#N)c2)s1 ZINC000865294475 638261831 /nfs/dbraw/zinc/26/18/31/638261831.db2.gz KMTTVTUXHAWTML-UHFFFAOYSA-N 1 1 290.367 2.828 20 30 CFEDMO CCc1[nH+]c(C)cn1Cc1cn2ccccc2c1C#N ZINC000865392676 638304910 /nfs/dbraw/zinc/30/49/10/638304910.db2.gz NZGQIVKBZWHLQL-UHFFFAOYSA-N 1 1 264.332 2.927 20 30 CFEDMO C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1ccc(C#N)cc1 ZINC000865409039 638316986 /nfs/dbraw/zinc/31/69/86/638316986.db2.gz QVKBKZLLCUVECE-GFCCVEGCSA-N 1 1 266.348 2.940 20 30 CFEDMO Cc1cccc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)n1 ZINC000865419891 638324510 /nfs/dbraw/zinc/32/45/10/638324510.db2.gz BALQWLHKWQJDAE-UHFFFAOYSA-N 1 1 280.375 2.618 20 30 CFEDMO C[C@@H]([NH2+]Cc1cn(C2CC2)cn1)c1cccc(C#N)c1 ZINC000865479293 638367237 /nfs/dbraw/zinc/36/72/37/638367237.db2.gz FGISDHYLVGIHCV-GFCCVEGCSA-N 1 1 266.348 2.940 20 30 CFEDMO C=C(C)COCC[NH2+]Cc1nccc(C)c1Br ZINC000865493536 638377161 /nfs/dbraw/zinc/37/71/61/638377161.db2.gz LMCZUMRSCFGJHP-UHFFFAOYSA-N 1 1 299.212 2.835 20 30 CFEDMO CCOc1cc(F)cc(C[NH2+]Cc2ccc(C#N)cn2)c1 ZINC000865538173 638405760 /nfs/dbraw/zinc/40/57/60/638405760.db2.gz QLJXSSPDHAURDI-UHFFFAOYSA-N 1 1 285.322 2.781 20 30 CFEDMO N#Cc1c(F)cccc1N[C@H]1CCC[N@@H+](CCF)C1 ZINC000865927553 638661099 /nfs/dbraw/zinc/66/10/99/638661099.db2.gz DDRZJYZGBYQCLG-NSHDSACASA-N 1 1 265.307 2.543 20 30 CFEDMO N#Cc1c(F)cccc1N[C@H]1CCC[N@H+](CCF)C1 ZINC000865927553 638661100 /nfs/dbraw/zinc/66/11/00/638661100.db2.gz DDRZJYZGBYQCLG-NSHDSACASA-N 1 1 265.307 2.543 20 30 CFEDMO C#Cc1cnc(NC[C@H]2CC[N@H+]2C2CCCCCC2)nc1 ZINC000866192179 638766917 /nfs/dbraw/zinc/76/69/17/638766917.db2.gz DVJZNEQDJVVXAY-MRXNPFEDSA-N 1 1 284.407 2.667 20 30 CFEDMO Cc1cc(NC[C@H]2c3ccccc3C[N@H+]2C)cc(C#N)n1 ZINC000866195182 638767798 /nfs/dbraw/zinc/76/77/98/638767798.db2.gz OPPHDDFDWMMSCI-KRWDZBQOSA-N 1 1 278.359 2.860 20 30 CFEDMO Cc1cc(NC[C@H]2c3ccccc3C[N@@H+]2C)cc(C#N)n1 ZINC000866195182 638767801 /nfs/dbraw/zinc/76/78/01/638767801.db2.gz OPPHDDFDWMMSCI-KRWDZBQOSA-N 1 1 278.359 2.860 20 30 CFEDMO CCOc1ncccc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866229135 638775109 /nfs/dbraw/zinc/77/51/09/638775109.db2.gz PUNXWSUBSSOGNT-LBPRGKRZSA-N 1 1 297.358 2.908 20 30 CFEDMO CC(C)(CC#N)C[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000866372349 638807712 /nfs/dbraw/zinc/80/77/12/638807712.db2.gz PPBDMTXLLYDWPJ-OCCSQVGLSA-N 1 1 262.328 2.988 20 30 CFEDMO C=C[C@@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000868394089 638942402 /nfs/dbraw/zinc/94/24/02/638942402.db2.gz WKQATCNEMCCQHH-HIFRSBDPSA-N 1 1 279.428 2.657 20 30 CFEDMO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000122227238 638960473 /nfs/dbraw/zinc/96/04/73/638960473.db2.gz RVTHBFNNKSPHGA-NSHDSACASA-N 1 1 259.353 2.845 20 30 CFEDMO CC(C)C#CC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000869802148 639408188 /nfs/dbraw/zinc/40/81/88/639408188.db2.gz QCQFHBLJBAFKNO-AEFFLSMTSA-N 1 1 298.430 2.530 20 30 CFEDMO CC[C@](C)(C#N)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000870124174 639522915 /nfs/dbraw/zinc/52/29/15/639522915.db2.gz UFRJYKFLFIHHGN-MAUKXSAKSA-N 1 1 299.418 2.832 20 30 CFEDMO C=CCCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000870125746 639523244 /nfs/dbraw/zinc/52/32/44/639523244.db2.gz PZLJFVXUEJFYHR-OAHLLOKOSA-N 1 1 272.392 2.858 20 30 CFEDMO CCCCCC[N@@H+](C)CC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000870672153 639763035 /nfs/dbraw/zinc/76/30/35/639763035.db2.gz JVZUEHLFDDYPTQ-CABCVRRESA-N 1 1 279.428 2.649 20 30 CFEDMO CC(C)CCC(N)=[NH+]OCC1CCC2(CC1)OCCO2 ZINC000192186543 650547157 /nfs/dbraw/zinc/54/71/57/650547157.db2.gz LWHCJZPXHQDSMW-UHFFFAOYSA-N 1 1 284.400 2.645 20 30 CFEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(C#N)o3)c2C[C@@H]1C ZINC000871674472 641396257 /nfs/dbraw/zinc/39/62/57/641396257.db2.gz ZEYWVNMPLOEWBX-MNOVXSKESA-N 1 1 255.321 2.767 20 30 CFEDMO C[N@@H+](C[C@H](O)COc1c(C#N)ccc2ccccc21)C1CC1 ZINC000871994198 641545435 /nfs/dbraw/zinc/54/54/35/641545435.db2.gz SOLOGPUPIQUZPI-INIZCTEOSA-N 1 1 296.370 2.545 20 30 CFEDMO C[C@H]([NH2+]C[C@H](C#N)CCC#N)c1cc2cnccc2o1 ZINC000872240432 641713667 /nfs/dbraw/zinc/71/36/67/641713667.db2.gz QIGVOUKFSXJDCJ-RYUDHWBXSA-N 1 1 268.320 2.922 20 30 CFEDMO c1ccc(N=NC2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000872324041 641756059 /nfs/dbraw/zinc/75/60/59/641756059.db2.gz IZOGQPLGXRPXTK-CQSZACIVSA-N 1 1 261.394 2.666 20 30 CFEDMO c1ccc(N=NC2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000872324041 641756063 /nfs/dbraw/zinc/75/60/63/641756063.db2.gz IZOGQPLGXRPXTK-CQSZACIVSA-N 1 1 261.394 2.666 20 30 CFEDMO Fc1cc(F)cc(N=NC2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000872344487 641761397 /nfs/dbraw/zinc/76/13/97/641761397.db2.gz KQZCXWBIUSDAEM-AWEZNQCLSA-N 1 1 297.374 2.944 20 30 CFEDMO Fc1cc(F)cc(N=NC2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000872344487 641761402 /nfs/dbraw/zinc/76/14/02/641761402.db2.gz KQZCXWBIUSDAEM-AWEZNQCLSA-N 1 1 297.374 2.944 20 30 CFEDMO CC(C)c1c(Cl)ncnc1N=NC1CC[N@@H+](C)[C@@H]1C ZINC000872371173 641776661 /nfs/dbraw/zinc/77/66/61/641776661.db2.gz IESYVIPFSNPWFB-SECBINFHSA-N 1 1 281.791 2.745 20 30 CFEDMO C[C@@H]1C(N=Nc2cc(Cl)nc(Cl)c2)CC[N@H+]1C ZINC000872382289 641784199 /nfs/dbraw/zinc/78/41/99/641784199.db2.gz NOMBAUVMZHMHNC-SSDOTTSWSA-N 1 1 273.167 2.880 20 30 CFEDMO CC[C@H](C)CC=[NH+]n1c(SC)nnc1SC ZINC000872417741 641803673 /nfs/dbraw/zinc/80/36/73/641803673.db2.gz MFJPGDCVCRBXOF-QMMMGPOBSA-N 1 1 258.416 2.992 20 30 CFEDMO CC(C)CC(N)=[NH+]OCCCOc1cccc(C#N)c1 ZINC000124094975 641815126 /nfs/dbraw/zinc/81/51/26/641815126.db2.gz ANZHLEGMPNXMEL-UHFFFAOYSA-N 1 1 275.352 2.662 20 30 CFEDMO COc1cc(O)c(C[N@H+](C)[C@H]2CCC[C@H]2C#N)cc1OC ZINC000872683418 641895354 /nfs/dbraw/zinc/89/53/54/641895354.db2.gz DOHPTFYFYMEVFV-AAEUAGOBSA-N 1 1 290.363 2.533 20 30 CFEDMO COc1cc(O)c(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1OC ZINC000872683418 641895355 /nfs/dbraw/zinc/89/53/55/641895355.db2.gz DOHPTFYFYMEVFV-AAEUAGOBSA-N 1 1 290.363 2.533 20 30 CFEDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1ncc(C#N)c2ccsc21 ZINC000872780358 641934422 /nfs/dbraw/zinc/93/44/22/641934422.db2.gz YNRYGCIXMDRYND-ZIAGYGMSSA-N 1 1 298.415 2.841 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000872966238 641972935 /nfs/dbraw/zinc/97/29/35/641972935.db2.gz LXXKHAWZVWDGPU-CQSZACIVSA-N 1 1 293.455 2.928 20 30 CFEDMO C=CC[N@H+](Cc1cnc(N)cn1)CC1CCCCC1 ZINC000873204476 642065313 /nfs/dbraw/zinc/06/53/13/642065313.db2.gz DBVWDOHIOJHOKY-UHFFFAOYSA-N 1 1 260.385 2.627 20 30 CFEDMO C=CCCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000874513029 642408035 /nfs/dbraw/zinc/40/80/35/642408035.db2.gz 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ZINC000886381439 646993417 /nfs/dbraw/zinc/99/34/17/646993417.db2.gz CKLUGHIKCLKMOF-QGZVFWFLSA-N 1 1 256.393 2.587 20 30 CFEDMO C=CCN1CC[N@@H+](CC=C)C[C@H]1Cc1ccccc1 ZINC000886381439 646993419 /nfs/dbraw/zinc/99/34/19/646993419.db2.gz CKLUGHIKCLKMOF-QGZVFWFLSA-N 1 1 256.393 2.587 20 30 CFEDMO C#CCCC[N@H+](CC)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000886411604 646996710 /nfs/dbraw/zinc/99/67/10/646996710.db2.gz ZHLPOYSQNCGMGG-CQSZACIVSA-N 1 1 280.412 2.731 20 30 CFEDMO Cc1ccccc1[C@H](CO)[N@@H+](C)CCC(C)(C)C#N ZINC000886439349 647002948 /nfs/dbraw/zinc/00/29/48/647002948.db2.gz VRBGXYHAXAPBNX-HNNXBMFYSA-N 1 1 260.381 2.900 20 30 CFEDMO Cc1cc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)ccc1C#N ZINC000886570150 647050350 /nfs/dbraw/zinc/05/03/50/647050350.db2.gz AEOULVDREGZKGR-GASCZTMLSA-N 1 1 258.390 2.662 20 30 CFEDMO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886620577 647072212 /nfs/dbraw/zinc/07/22/12/647072212.db2.gz NEHHEQBPZZPDDY-LOWVWBTDSA-N 1 1 291.313 2.769 20 30 CFEDMO 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C/C=C(\C)C(=O)NC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC001226809760 775973485 /nfs/dbraw/zinc/97/34/85/775973485.db2.gz IXMUBEBNGZKKSN-HQYXKAPLSA-N 1 1 296.414 2.585 20 30 CFEDMO C=CCCCCCCCC[N@@H+]1C[C@H]2C[C@@]2(C(N)=O)C1 ZINC001277169901 776037234 /nfs/dbraw/zinc/03/72/34/776037234.db2.gz IGJDGHPAGSSVKL-GDBMZVCRSA-N 1 1 264.413 2.710 20 30 CFEDMO CC(=O)c1cc(C#N)ccc1O[C@@H]1CC[N@H+](C(C)C)C1 ZINC001226974080 776041620 /nfs/dbraw/zinc/04/16/20/776041620.db2.gz BSODAVNKYODKOJ-CQSZACIVSA-N 1 1 272.348 2.622 20 30 CFEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)CCC)C1 ZINC001267919763 776045956 /nfs/dbraw/zinc/04/59/56/776045956.db2.gz UQIOQFSPBMLXJQ-HUUCEWRRSA-N 1 1 266.429 2.969 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ccc(CC#N)cn1 ZINC001167748264 776056102 /nfs/dbraw/zinc/05/61/02/776056102.db2.gz GQEMQEGHDHMXKO-CQSZACIVSA-N 1 1 272.396 2.824 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncccc1CC#N ZINC001167750680 776078159 /nfs/dbraw/zinc/07/81/59/776078159.db2.gz BUGYKCRONVMXKR-CQSZACIVSA-N 1 1 272.396 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C=C(C)CC[NH+]1CC(NC(=O)c2ccc(C3CC3)nc2C)C1 ZINC001030972819 779150498 /nfs/dbraw/zinc/15/04/98/779150498.db2.gz SPSYZFPOIVHBBR-UHFFFAOYSA-N 1 1 299.418 2.648 20 30 CFEDMO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206724 779156311 /nfs/dbraw/zinc/15/63/11/779156311.db2.gz UDNWWSDCQKRUIW-HZPDHXFCSA-N 1 1 290.451 2.923 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](O)(CF)CC2)c1 ZINC001237747123 779173535 /nfs/dbraw/zinc/17/35/35/779173535.db2.gz RLKQNWNMORHBCB-OAHLLOKOSA-N 1 1 296.773 2.898 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c1 ZINC001237748610 779174742 /nfs/dbraw/zinc/17/47/42/779174742.db2.gz LONGTXYXHFUMFY-ZIAGYGMSSA-N 1 1 262.740 2.575 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3OCC[C@H]32)c1 ZINC001237748610 779174744 /nfs/dbraw/zinc/17/47/44/779174744.db2.gz LONGTXYXHFUMFY-ZIAGYGMSSA-N 1 1 262.740 2.575 20 30 CFEDMO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)[C@@H]1CCCOC1 ZINC001237754391 779175776 /nfs/dbraw/zinc/17/57/76/779175776.db2.gz 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284.403 2.570 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cc1ccc(CC)cc1 ZINC001032654273 780116489 /nfs/dbraw/zinc/11/64/89/780116489.db2.gz UUBOZGTTYSUNFL-ROUUACIJSA-N 1 1 298.430 2.653 20 30 CFEDMO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001032669582 780124068 /nfs/dbraw/zinc/12/40/68/780124068.db2.gz QYNONVBRGVZLQY-FJIDUMEYSA-N 1 1 296.414 2.651 20 30 CFEDMO Cc1cnc(C2=CCC[N@@H+](Cc3ccccc3)C2)c(C#N)n1 ZINC001240385919 780129282 /nfs/dbraw/zinc/12/92/82/780129282.db2.gz QQOAQEOAJDMLMK-UHFFFAOYSA-N 1 1 290.370 2.946 20 30 CFEDMO C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCc2ccccc21 ZINC001032690930 780129438 /nfs/dbraw/zinc/12/94/38/780129438.db2.gz DZTGNFPFFKHEOK-ULQDDVLXSA-N 1 1 296.414 2.578 20 30 CFEDMO C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CCc2ccccc21 ZINC001032690930 780129440 /nfs/dbraw/zinc/12/94/40/780129440.db2.gz DZTGNFPFFKHEOK-ULQDDVLXSA-N 1 1 296.414 2.578 20 30 CFEDMO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCc1ccccc1 ZINC001032748420 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C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cscc2C)C1 ZINC001034165239 780914192 /nfs/dbraw/zinc/91/41/92/780914192.db2.gz VTSYQCGIDUJTMN-CYBMUJFWSA-N 1 1 278.421 2.827 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001034168334 780914435 /nfs/dbraw/zinc/91/44/35/780914435.db2.gz TWTSVRQXPMNVPQ-CVEARBPZSA-N 1 1 289.423 2.596 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034193784 780921822 /nfs/dbraw/zinc/92/18/22/780921822.db2.gz DZEPECQIMUJPOY-OAHLLOKOSA-N 1 1 278.440 2.969 20 30 CFEDMO C[N@H+]1C[C@@H]2CN(c3cc(Cl)ccc3C#N)C[C@]2(C)C1 ZINC000702432813 780924948 /nfs/dbraw/zinc/92/49/48/780924948.db2.gz AJXMOVSCMSLOKY-DOMZBBRYSA-N 1 1 275.783 2.600 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(C)CC=CCC2)C1 ZINC001034226969 780925955 /nfs/dbraw/zinc/92/59/55/780925955.db2.gz WLOMXAFTYCQULD-SJLPKXTDSA-N 1 1 288.435 2.727 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001034225453 780929521 /nfs/dbraw/zinc/92/95/21/780929521.db2.gz JCYLUXFWVSRCAM-AWEZNQCLSA-N 1 1 290.382 2.904 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001034266197 780935288 /nfs/dbraw/zinc/93/52/88/780935288.db2.gz NITVXNKYOQGCIC-HZPDHXFCSA-N 1 1 276.424 2.890 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001034266067 780935728 /nfs/dbraw/zinc/93/57/28/780935728.db2.gz NDEVPOQPUCIERU-DLBZAZTESA-N 1 1 288.435 2.727 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001034271929 780936963 /nfs/dbraw/zinc/93/69/63/780936963.db2.gz KDVODODWQGVVOK-GJZGRUSLSA-N 1 1 276.424 2.723 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001034299032 780940707 /nfs/dbraw/zinc/94/07/07/780940707.db2.gz ZXOVTIRENVBCAP-SFHVURJKSA-N 1 1 298.430 2.532 20 30 CFEDMO C#CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001034294542 780940826 /nfs/dbraw/zinc/94/08/26/780940826.db2.gz YEMSZVVFAAPYDD-ZDUSSCGKSA-N 1 1 290.432 2.528 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(CC)s2)C1 ZINC001034294542 780940833 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CC#CC[N@H+]1CCCC[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001034331603 780947637 /nfs/dbraw/zinc/94/76/37/780947637.db2.gz RPIVRSBWFZOZHA-INIZCTEOSA-N 1 1 288.435 2.561 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001034356976 780950229 /nfs/dbraw/zinc/95/02/29/780950229.db2.gz UNAPRKZLSYSJFD-CQSZACIVSA-N 1 1 276.380 2.748 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)C2CC2)C1 ZINC001034355596 780950821 /nfs/dbraw/zinc/95/08/21/780950821.db2.gz LFHSNOHVCHGXHF-HNNXBMFYSA-N 1 1 278.440 2.969 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001034352377 780955032 /nfs/dbraw/zinc/95/50/32/780955032.db2.gz POHVGYFAZGGMMH-IAGOWNOFSA-N 1 1 288.435 2.727 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034352940 780955411 /nfs/dbraw/zinc/95/54/11/780955411.db2.gz FKQPCRQZAOHAQU-GJZGRUSLSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001034367743 780955721 /nfs/dbraw/zinc/95/57/21/780955721.db2.gz 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780965001 /nfs/dbraw/zinc/96/50/01/780965001.db2.gz YKIHNXHCYSKVKO-GJZGRUSLSA-N 1 1 290.407 2.930 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001034409296 780965244 /nfs/dbraw/zinc/96/52/44/780965244.db2.gz RJNSPMWOFZAVTM-HZSPNIEDSA-N 1 1 284.831 2.756 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001034409296 780965247 /nfs/dbraw/zinc/96/52/47/780965247.db2.gz RJNSPMWOFZAVTM-HZSPNIEDSA-N 1 1 284.831 2.756 20 30 CFEDMO CC(C)[Si](C#Cn1cnc(C[NH3+])n1)(C(C)C)C(C)C ZINC001168754778 780966676 /nfs/dbraw/zinc/96/66/76/780966676.db2.gz XLDMFPMCRMQBAQ-UHFFFAOYSA-N 1 1 278.476 2.764 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001034419134 780972363 /nfs/dbraw/zinc/97/23/63/780972363.db2.gz XJENWMBLFAJGSU-STQMWFEESA-N 1 1 282.815 2.510 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001034419134 780972367 /nfs/dbraw/zinc/97/23/67/780972367.db2.gz XJENWMBLFAJGSU-STQMWFEESA-N 1 1 282.815 2.510 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2nocc2C)C1 ZINC001034475394 780979505 /nfs/dbraw/zinc/97/95/05/780979505.db2.gz BMCBGZDUQGRUHB-AWEZNQCLSA-N 1 1 291.395 2.534 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001034480512 780982387 /nfs/dbraw/zinc/98/23/87/780982387.db2.gz LEPCKVCMCKIQBN-RDJZCZTQSA-N 1 1 290.451 2.807 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001034480511 780982535 /nfs/dbraw/zinc/98/25/35/780982535.db2.gz LEPCKVCMCKIQBN-NVXWUHKLSA-N 1 1 290.451 2.807 20 30 CFEDMO C[N@H+]1CCC=C(c2nc(-c3ccncc3)ccc2C#N)C1 ZINC001241567281 780982629 /nfs/dbraw/zinc/98/26/29/780982629.db2.gz UFWHOXLIPDXJCE-UHFFFAOYSA-N 1 1 276.343 2.734 20 30 CFEDMO C[N@H+]1CCC=C(c2ncc(C#N)c3ccsc32)C1 ZINC001241569387 780984351 /nfs/dbraw/zinc/98/43/51/780984351.db2.gz WYLLVGITLFGYJH-UHFFFAOYSA-N 1 1 255.346 2.887 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)cc(C)c2)C1 ZINC001034504674 780987422 /nfs/dbraw/zinc/98/74/22/780987422.db2.gz BYGYPJVHCZOSBX-QGZVFWFLSA-N 1 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GWZVTYHELUETNS-UHFFFAOYSA-N 1 1 282.403 2.625 20 30 CFEDMO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)c1ccccn1)CC2 ZINC001035151362 781116129 /nfs/dbraw/zinc/11/61/29/781116129.db2.gz LGDZKHYUPBOFLZ-UHFFFAOYSA-N 1 1 299.418 2.586 20 30 CFEDMO C=CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccccc1)CC2 ZINC001035155532 781118069 /nfs/dbraw/zinc/11/80/69/781118069.db2.gz YNYJTGQOFLIWDQ-UHFFFAOYSA-N 1 1 284.403 2.801 20 30 CFEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]1C)CC2 ZINC001035153054 781118112 /nfs/dbraw/zinc/11/81/12/781118112.db2.gz KEQHOYHZZQBXCE-CABCVRRESA-N 1 1 276.424 2.533 20 30 CFEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC1(F)F)CC2 ZINC001035199733 781126731 /nfs/dbraw/zinc/12/67/31/781126731.db2.gz JXKKHORLXVDMRT-CYBMUJFWSA-N 1 1 298.377 2.532 20 30 CFEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CC1(C)CC1)CC2 ZINC001035207481 781128156 /nfs/dbraw/zinc/12/81/56/781128156.db2.gz YPBIUBNVEWFSAC-UHFFFAOYSA-N 1 1 276.424 2.677 20 30 CFEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[C@@H](F)C1)CC2 ZINC001035220287 781128984 /nfs/dbraw/zinc/12/89/84/781128984.db2.gz QJXOVXLODUCINK-HUUCEWRRSA-N 1 1 294.414 2.625 20 30 CFEDMO C=CC[N@H+]1CCC2(C1)CCN(C(=O)C1CC3(CC3)C1)CC2 ZINC001035223094 781129835 /nfs/dbraw/zinc/12/98/35/781129835.db2.gz LDRHOJNCNVXOAQ-UHFFFAOYSA-N 1 1 288.435 2.677 20 30 CFEDMO C=CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1C[C@H]1C)CC2 ZINC001035221964 781129870 /nfs/dbraw/zinc/12/98/70/781129870.db2.gz SOWANLIHKQRBCD-CVEARBPZSA-N 1 1 290.451 2.923 20 30 CFEDMO C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@H]1C[C@H]3C[C@H]3C1)CC2 ZINC001035215784 781130959 /nfs/dbraw/zinc/13/09/59/781130959.db2.gz MQKZOBTXHQOHTL-ZSHCYNCHSA-N 1 1 288.435 2.533 20 30 CFEDMO Cc1cc(C#N)ccc1N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000705192102 781136839 /nfs/dbraw/zinc/13/68/39/781136839.db2.gz PDMRSEZSUJOFKX-HNNXBMFYSA-N 1 1 257.381 2.645 20 30 CFEDMO CN1C[C@]2(C)C[N@@H+](CCCCC(C)(C)C#N)C[C@]2(C)C1 ZINC000706252043 781164193 /nfs/dbraw/zinc/16/41/93/781164193.db2.gz BDYYQNBRJHEIDI-CALCHBBNSA-N 1 1 277.456 2.980 20 30 CFEDMO 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ZINC000091733178 347597363 /nfs/dbraw/zinc/59/73/63/347597363.db2.gz SZRSQTQDHAVKJN-UHFFFAOYSA-N 1 1 284.338 2.636 20 30 CFEDMO CCC[N@H+]1CC[C@@H](CNc2snc(Cl)c2C#N)C1 ZINC000092621871 347635141 /nfs/dbraw/zinc/63/51/41/347635141.db2.gz JDNRDKNLWLTOOP-VIFPVBQESA-N 1 1 284.816 2.812 20 30 CFEDMO C=CCc1cc(C[N@@H+](C[C@@H](C)O)C(C)C)cc(OC)c1O ZINC000093144115 347662790 /nfs/dbraw/zinc/66/27/90/347662790.db2.gz VPIITUDEYIVNFK-CYBMUJFWSA-N 1 1 293.407 2.721 20 30 CFEDMO N#Cc1csc(C[N@@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000093455650 347675581 /nfs/dbraw/zinc/67/55/81/347675581.db2.gz RMIKHEIKWUUMDV-MRXNPFEDSA-N 1 1 284.384 2.711 20 30 CFEDMO N#Cc1csc(C[N@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000093455650 347675583 /nfs/dbraw/zinc/67/55/83/347675583.db2.gz RMIKHEIKWUUMDV-MRXNPFEDSA-N 1 1 284.384 2.711 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000093482613 347676191 /nfs/dbraw/zinc/67/61/91/347676191.db2.gz IRJUGSRTZCBFAN-HOCLYGCPSA-N 1 1 275.392 2.987 20 30 CFEDMO C=CCCCN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093533527 347678829 /nfs/dbraw/zinc/67/88/29/347678829.db2.gz LNNOBJVKVHBTSX-UHFFFAOYSA-N 1 1 250.298 2.698 20 30 CFEDMO N#Cc1ccc(C[N@H+](CCO)[C@@H]2CCc3ccccc32)o1 ZINC000093387709 347672176 /nfs/dbraw/zinc/67/21/76/347672176.db2.gz LUSJMUJBYHHEGF-QGZVFWFLSA-N 1 1 282.343 2.633 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)o1)[C@@H](CCO)c1ccccc1 ZINC000093442496 347673882 /nfs/dbraw/zinc/67/38/82/347673882.db2.gz DAHTWAYRULQUDI-INIZCTEOSA-N 1 1 270.332 2.707 20 30 CFEDMO CC(C)C[C@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000119251529 347800915 /nfs/dbraw/zinc/80/09/15/347800915.db2.gz TUSFVUMLOHKUBU-WBVHZDCISA-N 1 1 293.455 2.799 20 30 CFEDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2OC)C1 ZINC000121013473 347809698 /nfs/dbraw/zinc/80/96/98/347809698.db2.gz UGUOMXUOFQMKPH-HNNXBMFYSA-N 1 1 274.364 2.568 20 30 CFEDMO CCc1nnc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C#N)c1CC ZINC000128644090 187381595 /nfs/dbraw/zinc/38/15/95/187381595.db2.gz 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ZINC000404429340 348591557 /nfs/dbraw/zinc/59/15/57/348591557.db2.gz GZXINRNUXVEEFQ-UHFFFAOYSA-N 1 1 287.388 2.916 20 30 CFEDMO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397676749 348562792 /nfs/dbraw/zinc/56/27/92/348562792.db2.gz KTFQLYPUYBGRHH-ZDUSSCGKSA-N 1 1 269.348 2.693 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000397676749 348562795 /nfs/dbraw/zinc/56/27/95/348562795.db2.gz KTFQLYPUYBGRHH-ZDUSSCGKSA-N 1 1 269.348 2.693 20 30 CFEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1OC ZINC000397685386 348563527 /nfs/dbraw/zinc/56/35/27/348563527.db2.gz NBMYDYPKKOLXFC-ZDUSSCGKSA-N 1 1 274.364 2.829 20 30 CFEDMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000397684539 348563653 /nfs/dbraw/zinc/56/36/53/348563653.db2.gz MWWAZLYDNKAKAW-ZDUSSCGKSA-N 1 1 272.348 2.599 20 30 CFEDMO COc1cccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c1F ZINC000397847812 348564702 /nfs/dbraw/zinc/56/47/02/348564702.db2.gz QVTJIPANHFYPCG-LBPRGKRZSA-N 1 1 262.328 2.960 20 30 CFEDMO COc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)c1F ZINC000397847812 348564707 /nfs/dbraw/zinc/56/47/07/348564707.db2.gz QVTJIPANHFYPCG-LBPRGKRZSA-N 1 1 262.328 2.960 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000397841045 348565059 /nfs/dbraw/zinc/56/50/59/348565059.db2.gz PMTHWULMZLSRIW-GFCCVEGCSA-N 1 1 259.309 2.720 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000397841045 348565063 /nfs/dbraw/zinc/56/50/63/348565063.db2.gz PMTHWULMZLSRIW-GFCCVEGCSA-N 1 1 259.309 2.720 20 30 CFEDMO CC[C@H](C#N)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398035306 348565718 /nfs/dbraw/zinc/56/57/18/348565718.db2.gz SKRDIOBAVMCXFD-AEFFLSMTSA-N 1 1 299.418 2.707 20 30 CFEDMO CC[C@@H](C#N)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398035309 348566921 /nfs/dbraw/zinc/56/69/21/348566921.db2.gz SKRDIOBAVMCXFD-FUHWJXTLSA-N 1 1 299.418 2.707 20 30 CFEDMO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C)C#N ZINC000527302762 348646546 /nfs/dbraw/zinc/64/65/46/348646546.db2.gz 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Cc1cc(C[N@H+]2CCC[C@@H](n3ccnn3)CC2)ccc1C#N ZINC000602894018 351059609 /nfs/dbraw/zinc/05/96/09/351059609.db2.gz WQFHZHCBTXCCAU-QGZVFWFLSA-N 1 1 295.390 2.685 20 30 CFEDMO CC[C@@]1(O)CCC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000602742326 351011085 /nfs/dbraw/zinc/01/10/85/351011085.db2.gz XGTGLESUUYLJBA-MRXNPFEDSA-N 1 1 258.365 2.604 20 30 CFEDMO C[N@H+]1CCN(C(=O)c2cccc(CC#N)c2)C[C@@H]1C(C)(C)C ZINC000603144504 351110729 /nfs/dbraw/zinc/11/07/29/351110729.db2.gz ZMEBSJXXEDUMMM-MRXNPFEDSA-N 1 1 299.418 2.555 20 30 CFEDMO COC(=O)c1cccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602974444 351075162 /nfs/dbraw/zinc/07/51/62/351075162.db2.gz OIDDIDAAWOXTMT-HUUCEWRRSA-N 1 1 272.348 2.597 20 30 CFEDMO COC(=O)c1cccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602974444 351075168 /nfs/dbraw/zinc/07/51/68/351075168.db2.gz OIDDIDAAWOXTMT-HUUCEWRRSA-N 1 1 272.348 2.597 20 30 CFEDMO C[N@@H+](CCC(=O)NCC1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602976262 351076859 /nfs/dbraw/zinc/07/68/59/351076859.db2.gz NIYDHBITZOIYDG-HZPDHXFCSA-N 1 1 291.439 2.697 20 30 CFEDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1C#N ZINC000602975894 351076957 /nfs/dbraw/zinc/07/69/57/351076957.db2.gz IHJLFEDDNOYBQD-SWLSCSKDSA-N 1 1 289.335 2.598 20 30 CFEDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1C#N ZINC000602975894 351076963 /nfs/dbraw/zinc/07/69/63/351076963.db2.gz IHJLFEDDNOYBQD-SWLSCSKDSA-N 1 1 289.335 2.598 20 30 CFEDMO C[N@H+](CCc1nc(-c2ccccc2)no1)[C@H]1CCC[C@@H]1C#N ZINC000602978298 351078965 /nfs/dbraw/zinc/07/89/65/351078965.db2.gz OOHLUWOJVGWHPY-CABCVRRESA-N 1 1 296.374 2.903 20 30 CFEDMO C[N@@H+](CCc1nc(-c2ccccc2)no1)[C@H]1CCC[C@@H]1C#N ZINC000602978298 351078968 /nfs/dbraw/zinc/07/89/68/351078968.db2.gz OOHLUWOJVGWHPY-CABCVRRESA-N 1 1 296.374 2.903 20 30 CFEDMO C[N@H+](CCOCC(F)(F)C(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602979154 351079701 /nfs/dbraw/zinc/07/97/01/351079701.db2.gz ALRNHRFUESMKBV-ZJUUUORDSA-N 1 1 282.281 2.527 20 30 CFEDMO C[N@@H+](CCOCC(F)(F)C(F)F)[C@H]1CCC[C@@H]1C#N ZINC000602979154 351079702 /nfs/dbraw/zinc/07/97/02/351079702.db2.gz ALRNHRFUESMKBV-ZJUUUORDSA-N 1 1 282.281 2.527 20 30 CFEDMO C[N@@H+](CCCCCn1cccn1)[C@H]1CCC[C@H]1C#N ZINC000602978984 351079727 /nfs/dbraw/zinc/07/97/27/351079727.db2.gz ZLLSXTYPOUGEQD-GJZGRUSLSA-N 1 1 260.385 2.677 20 30 CFEDMO Cc1nccn1CCCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602979533 351080802 /nfs/dbraw/zinc/08/08/02/351080802.db2.gz FJWQAPJHTHAFFV-LSDHHAIUSA-N 1 1 260.385 2.596 20 30 CFEDMO COc1cc(C)[nH+]c(CN(C)[C@@H]2CCC[C@@H]2C#N)c1 ZINC000602980715 351082714 /nfs/dbraw/zinc/08/27/14/351082714.db2.gz UMESXZDQLHIYSF-IUODEOHRSA-N 1 1 259.353 2.523 20 30 CFEDMO CO[C@H](C[N@@H+](C)[C@@H]1CCC[C@H]1C#N)C1CCCC1 ZINC000602981610 351082966 /nfs/dbraw/zinc/08/29/66/351082966.db2.gz GQRWIFIVKQLFAX-RRFJBIMHSA-N 1 1 250.386 2.816 20 30 CFEDMO CO[C@H](Cc1ccccc1)C[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981664 351083526 /nfs/dbraw/zinc/08/35/26/351083526.db2.gz HRTZFSGAGBQUPV-BRWVUGGUSA-N 1 1 272.392 2.868 20 30 CFEDMO C[N@H+](CCOCC1CCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602982663 351084812 /nfs/dbraw/zinc/08/48/12/351084812.db2.gz WGUZYJSYASMWPH-HUUCEWRRSA-N 1 1 250.386 2.817 20 30 CFEDMO C[N@@H+](CCOCC1CCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602982663 351084815 /nfs/dbraw/zinc/08/48/15/351084815.db2.gz WGUZYJSYASMWPH-HUUCEWRRSA-N 1 1 250.386 2.817 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1F ZINC000602997521 351087974 /nfs/dbraw/zinc/08/79/74/351087974.db2.gz MAJXNEAEUYGPMK-PVAVHDDUSA-N 1 1 288.366 2.823 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1F ZINC000602997520 351088045 /nfs/dbraw/zinc/08/80/45/351088045.db2.gz MAJXNEAEUYGPMK-OIISXLGYSA-N 1 1 288.366 2.823 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c1F ZINC000602996998 351088398 /nfs/dbraw/zinc/08/83/98/351088398.db2.gz AFCGADLQXXSFCA-XHSDSOJGSA-N 1 1 288.366 2.823 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1 ZINC000602997349 351088439 /nfs/dbraw/zinc/08/84/39/351088439.db2.gz IAMMHEKIGGJXAF-ZACQAIPSSA-N 1 1 270.376 2.684 20 30 CFEDMO C[C@H](C[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1)C(C)(C)C ZINC000603055938 351095681 /nfs/dbraw/zinc/09/56/81/351095681.db2.gz OULVVRZNBJLNHO-HUUCEWRRSA-N 1 1 296.455 2.672 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@@H](C)C(C)(C)C ZINC000603056904 351096941 /nfs/dbraw/zinc/09/69/41/351096941.db2.gz XCKXPFSYCRWAHG-CJNGLKHVSA-N 1 1 281.444 2.655 20 30 CFEDMO CCc1nc(NCc2cc(F)c(C#N)c(F)c2)cc(C)[nH+]1 ZINC000603399427 351157028 /nfs/dbraw/zinc/15/70/28/351157028.db2.gz ALSMSJNCFUJFJP-UHFFFAOYSA-N 1 1 288.301 2.531 20 30 CFEDMO COCc1cc(C#N)ccc1NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000603406204 351158024 /nfs/dbraw/zinc/15/80/24/351158024.db2.gz QVRAUYDYKOCRCC-HNNXBMFYSA-N 1 1 287.407 2.989 20 30 CFEDMO N#CCC[C@H]([NH2+]Cc1ccncc1N)c1ccccc1 ZINC000603428549 351162625 /nfs/dbraw/zinc/16/26/25/351162625.db2.gz WCTAWTJRETUHSJ-INIZCTEOSA-N 1 1 266.348 2.798 20 30 CFEDMO C=CCNC(=O)[C@H](C)[NH+]1CCC(c2ccccc2F)CC1 ZINC000605577308 351254408 /nfs/dbraw/zinc/25/44/08/351254408.db2.gz QHDJJQXJQXEVEB-ZDUSSCGKSA-N 1 1 290.382 2.696 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000605738786 351257132 /nfs/dbraw/zinc/25/71/32/351257132.db2.gz XOFCYOSWSDIILA-QLFBSQMISA-N 1 1 266.429 2.825 20 30 CFEDMO N#Cc1cccc(NC(=O)C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000609539993 351505993 /nfs/dbraw/zinc/50/59/93/351505993.db2.gz NLGGTPOUSKGOKJ-CQSZACIVSA-N 1 1 295.342 2.579 20 30 CFEDMO N#Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000609539993 351505996 /nfs/dbraw/zinc/50/59/96/351505996.db2.gz NLGGTPOUSKGOKJ-CQSZACIVSA-N 1 1 295.342 2.579 20 30 CFEDMO N#Cc1cccc(C[N@@H+](CCO)CCc2ccccc2)c1 ZINC000609578155 351509782 /nfs/dbraw/zinc/50/97/82/351509782.db2.gz OOKIYIYZWGAUHU-UHFFFAOYSA-N 1 1 280.371 2.595 20 30 CFEDMO CCC[C@@H](C#N)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000608815928 351474754 /nfs/dbraw/zinc/47/47/54/351474754.db2.gz PQTXQIURRGOEMF-IRXDYDNUSA-N 1 1 299.418 2.707 20 30 CFEDMO CC[N@H+]1CCC[C@@H](NC(=O)c2cccc3oc(C)nc32)C1 ZINC000329962115 539817493 /nfs/dbraw/zinc/81/74/93/539817493.db2.gz SNZTVAKYJVMROM-GFCCVEGCSA-N 1 1 287.363 2.925 20 30 CFEDMO Cc1ncc([C@H](C)[NH2+]Cc2ccc(C#N)cc2F)c(C)n1 ZINC000610812896 351611322 /nfs/dbraw/zinc/61/13/22/351611322.db2.gz ZIIDHRUQVDQRPV-JTQLQIEISA-N 1 1 284.338 2.955 20 30 CFEDMO Cc1cc(N[C@H](C)c2cccc(C#N)c2)nc(C)[nH+]1 ZINC000610340427 351555964 /nfs/dbraw/zinc/55/59/64/351555964.db2.gz UUFBLJGEMYCEBQ-LLVKDONJSA-N 1 1 252.321 2.560 20 30 CFEDMO CC[C@](C)([NH2+]Cc1ccnc(C#N)c1)c1nccs1 ZINC000610994970 351632698 /nfs/dbraw/zinc/63/26/98/351632698.db2.gz PBJPCUYNIWZPQO-AWEZNQCLSA-N 1 1 272.377 2.825 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](C(F)F)C2)ccc1F ZINC000611179643 351648844 /nfs/dbraw/zinc/64/88/44/351648844.db2.gz GYQQRLRFIWBNPW-SNVBAGLBSA-N 1 1 254.255 2.784 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)c1F ZINC000611266456 351659758 /nfs/dbraw/zinc/65/97/58/351659758.db2.gz SBTZGYABDKUWPT-MRXNPFEDSA-N 1 1 297.333 2.746 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1F ZINC000611266456 351659763 /nfs/dbraw/zinc/65/97/63/351659763.db2.gz SBTZGYABDKUWPT-MRXNPFEDSA-N 1 1 297.333 2.746 20 30 CFEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccnc(C#N)c1 ZINC000610991364 351629579 /nfs/dbraw/zinc/62/95/79/351629579.db2.gz HFGJSXQEKWZHMN-UHFFFAOYSA-N 1 1 269.323 2.767 20 30 CFEDMO COCC[N@H+](Cc1cccs1)Cc1ccnc(C#N)c1 ZINC000610991588 351630502 /nfs/dbraw/zinc/63/05/02/351630502.db2.gz RSDHGVKMEMVNPT-UHFFFAOYSA-N 1 1 287.388 2.663 20 30 CFEDMO COCC[N@@H+](Cc1cccs1)Cc1ccnc(C#N)c1 ZINC000610991588 351630506 /nfs/dbraw/zinc/63/05/06/351630506.db2.gz RSDHGVKMEMVNPT-UHFFFAOYSA-N 1 1 287.388 2.663 20 30 CFEDMO C[NH+](C)[C@@H](CN[C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000611390908 351680308 /nfs/dbraw/zinc/68/03/08/351680308.db2.gz KBTMIPUDUITQHK-ROUUACIJSA-N 1 1 283.419 2.865 20 30 CFEDMO CN1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611392893 351680344 /nfs/dbraw/zinc/68/03/44/351680344.db2.gz UCLQVXWFEKZAHE-MAUKXSAKSA-N 1 1 283.419 2.867 20 30 CFEDMO C[C@H](CCN(C)C)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392029 351680464 /nfs/dbraw/zinc/68/04/64/351680464.db2.gz FKLYZSCRUBIRPR-DYVFJYSZSA-N 1 1 271.408 2.865 20 30 CFEDMO C[C@H](CC[NH+](C)C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000611392029 351680468 /nfs/dbraw/zinc/68/04/68/351680468.db2.gz FKLYZSCRUBIRPR-DYVFJYSZSA-N 1 1 271.408 2.865 20 30 CFEDMO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000611393976 351681132 /nfs/dbraw/zinc/68/11/32/351681132.db2.gz VVPAOHAGYYIVGQ-NVXWUHKLSA-N 1 1 292.386 2.806 20 30 CFEDMO C[C@H]1CC[N@H+](CCN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393404 351681527 /nfs/dbraw/zinc/68/15/27/351681527.db2.gz FJZGIZTYUJMMLT-KBXCAEBGSA-N 1 1 283.419 2.867 20 30 CFEDMO C[C@H]1CC[N@@H+](CCN[C@@H]2CCCc3cc(C#N)ccc32)C1 ZINC000611393404 351681531 /nfs/dbraw/zinc/68/15/31/351681531.db2.gz FJZGIZTYUJMMLT-KBXCAEBGSA-N 1 1 283.419 2.867 20 30 CFEDMO COc1cccc(F)c1[C@H](C)[NH2+]Cc1ccnc(C#N)c1 ZINC000611397199 351682165 /nfs/dbraw/zinc/68/21/65/351682165.db2.gz URLGAMAEOIHKCB-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC3(C#N)CC3)ccc2NC1=O ZINC000611433023 351689034 /nfs/dbraw/zinc/68/90/34/351689034.db2.gz RCQMDUBCACYGCF-SMDDNHRTSA-N 1 1 299.374 2.750 20 30 CFEDMO C=CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000611290089 351664459 /nfs/dbraw/zinc/66/44/59/351664459.db2.gz RCNWDRHAGNATJO-HNNXBMFYSA-N 1 1 276.336 2.762 20 30 CFEDMO C=C(CC)C[N@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000611349438 351672327 /nfs/dbraw/zinc/67/23/27/351672327.db2.gz LTXURGKDCRYMRY-ZDUSSCGKSA-N 1 1 253.386 2.864 20 30 CFEDMO C=CCCC[C@H](C)[N@@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000611372041 351675990 /nfs/dbraw/zinc/67/59/90/351675990.db2.gz ONYUCLGXYSQSRV-KBPBESRZSA-N 1 1 283.412 2.774 20 30 CFEDMO C=CCCC[C@H](C)[N@H+]1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000611372041 351675993 /nfs/dbraw/zinc/67/59/93/351675993.db2.gz ONYUCLGXYSQSRV-KBPBESRZSA-N 1 1 283.412 2.774 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@H](OC(F)F)C2)ccc1F ZINC000611577883 351710829 /nfs/dbraw/zinc/71/08/29/351710829.db2.gz LRRHKFRTJIETIX-LBPRGKRZSA-N 1 1 284.281 2.901 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](OC(F)F)C2)ccc1F ZINC000611577883 351710832 /nfs/dbraw/zinc/71/08/32/351710832.db2.gz LRRHKFRTJIETIX-LBPRGKRZSA-N 1 1 284.281 2.901 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611577764 351711384 /nfs/dbraw/zinc/71/13/84/351711384.db2.gz KTFBHWOVPXTHLS-CYBMUJFWSA-N 1 1 266.291 2.762 20 30 CFEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611577764 351711386 /nfs/dbraw/zinc/71/13/86/351711386.db2.gz KTFBHWOVPXTHLS-CYBMUJFWSA-N 1 1 266.291 2.762 20 30 CFEDMO CN(CC[N@@H+]1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000612162427 351782377 /nfs/dbraw/zinc/78/23/77/351782377.db2.gz HFFKHQFFHYGBFP-MRXNPFEDSA-N 1 1 257.381 2.748 20 30 CFEDMO CN(CC[N@H+]1CCC[C@](C)(C#N)C1)c1ccccc1 ZINC000612162427 351782381 /nfs/dbraw/zinc/78/23/81/351782381.db2.gz HFFKHQFFHYGBFP-MRXNPFEDSA-N 1 1 257.381 2.748 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)ccn1 ZINC000612174552 351785105 /nfs/dbraw/zinc/78/51/05/351785105.db2.gz GFCLMNOVXJEOOI-QGZVFWFLSA-N 1 1 297.333 2.746 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)ccn1 ZINC000612174552 351785110 /nfs/dbraw/zinc/78/51/10/351785110.db2.gz GFCLMNOVXJEOOI-QGZVFWFLSA-N 1 1 297.333 2.746 20 30 CFEDMO C=C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000612264022 351793457 /nfs/dbraw/zinc/79/34/57/351793457.db2.gz MQVATWTZAMTPNG-NVXWUHKLSA-N 1 1 286.419 2.632 20 30 CFEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000612070186 351769005 /nfs/dbraw/zinc/76/90/05/351769005.db2.gz KOGDQAIVUUOKGY-KRWDZBQOSA-N 1 1 280.375 2.786 20 30 CFEDMO Cc1ccnc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1C#N ZINC000612070383 351769079 /nfs/dbraw/zinc/76/90/79/351769079.db2.gz CAPUHFQGYCONCX-GXTWGEPZSA-N 1 1 272.396 2.794 20 30 CFEDMO Cc1c(Cl)cnc(N[C@H]2CC[N@@H+](CC3CC3)C2)c1C#N ZINC000612077844 351770086 /nfs/dbraw/zinc/77/00/86/351770086.db2.gz 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/nfs/dbraw/zinc/22/43/19/193224319.db2.gz OPFFHAFBMCUVMI-OAHLLOKOSA-N 1 1 289.423 2.724 20 30 CFEDMO C=CCOc1cccc(C[N@H+](C)CCOCCOCC)c1 ZINC000276131841 193222475 /nfs/dbraw/zinc/22/24/75/193222475.db2.gz CWBAJXCUVZTEKI-UHFFFAOYSA-N 1 1 293.407 2.736 20 30 CFEDMO C#CC[N@H+](CCc1ccnn1CC)Cc1ccc(F)cc1 ZINC000276293488 193275368 /nfs/dbraw/zinc/27/53/68/193275368.db2.gz IGIVEWDSMMKRGO-UHFFFAOYSA-N 1 1 285.366 2.720 20 30 CFEDMO C=CC[N@H+](CCc1ccnn1C)Cc1ccccc1F ZINC000276363485 193301039 /nfs/dbraw/zinc/30/10/39/193301039.db2.gz ZGNZMHDVTDNZNG-UHFFFAOYSA-N 1 1 273.355 2.790 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000276415486 193322233 /nfs/dbraw/zinc/32/22/33/193322233.db2.gz LZSLVCHEIDRVBF-UHFFFAOYSA-N 1 1 272.392 2.686 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000276438835 193331158 /nfs/dbraw/zinc/33/11/58/193331158.db2.gz OINMVWXKIAFMNL-UHFFFAOYSA-N 1 1 297.742 2.695 20 30 CFEDMO C=CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 ZINC000276509600 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ZINC000459618805 245242653 /nfs/dbraw/zinc/24/26/53/245242653.db2.gz TYWVYCHILVIVKT-UHFFFAOYSA-N 1 1 274.389 2.517 20 30 CFEDMO CCC[N@@H+](CC#CCOC)[C@@H]1C[C@H](OCC)C1(C)C ZINC000677480788 541865504 /nfs/dbraw/zinc/86/55/04/541865504.db2.gz VLRHDCPYAIEUFF-CABCVRRESA-N 1 1 267.413 2.552 20 30 CFEDMO C[N@@H+](CCc1ccccn1)Cc1ccc(C#N)cc1 ZINC000019844114 372197832 /nfs/dbraw/zinc/19/78/32/372197832.db2.gz BNVXUKZLQJHRLS-UHFFFAOYSA-N 1 1 251.333 2.628 20 30 CFEDMO C[C@H](C(=O)N1CCC(C)CC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325183 372317329 /nfs/dbraw/zinc/31/73/29/372317329.db2.gz LYTYURPCLOZUKD-OAHLLOKOSA-N 1 1 299.418 2.637 20 30 CFEDMO C[C@H](C(=O)N1CCC(C)CC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325183 372317337 /nfs/dbraw/zinc/31/73/37/372317337.db2.gz LYTYURPCLOZUKD-OAHLLOKOSA-N 1 1 299.418 2.637 20 30 CFEDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000030269519 372391125 /nfs/dbraw/zinc/39/11/25/372391125.db2.gz DQMPKTMVPWGKLZ-LBPRGKRZSA-N 1 1 259.353 2.617 20 30 CFEDMO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccc(C#N)cc1 ZINC000030532510 372393971 /nfs/dbraw/zinc/39/39/71/372393971.db2.gz CYLHGQQSNAXKEO-OCCSQVGLSA-N 1 1 252.321 2.652 20 30 CFEDMO C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCCCC1 ZINC000034674081 372512942 /nfs/dbraw/zinc/51/29/42/372512942.db2.gz PMCMQIFBDYNWBE-MRXNPFEDSA-N 1 1 258.365 2.856 20 30 CFEDMO C=CCOc1ccccc1CNC[C@H]1CC[N@H+](CC)C1 ZINC000037644433 372680334 /nfs/dbraw/zinc/68/03/34/372680334.db2.gz UJZGNEVJSUDPOH-OAHLLOKOSA-N 1 1 274.408 2.683 20 30 CFEDMO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000037649448 372683877 /nfs/dbraw/zinc/68/38/77/372683877.db2.gz RVDCYLLTWGEOAL-ZFWWWQNUSA-N 1 1 269.392 2.693 20 30 CFEDMO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000037649448 372683886 /nfs/dbraw/zinc/68/38/86/372683886.db2.gz RVDCYLLTWGEOAL-ZFWWWQNUSA-N 1 1 269.392 2.693 20 30 CFEDMO C[C@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000037649448 372683897 /nfs/dbraw/zinc/68/38/97/372683897.db2.gz 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C=CC[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000065237447 373850994 /nfs/dbraw/zinc/85/09/94/373850994.db2.gz UOLPSXLFFZCVCV-LBPRGKRZSA-N 1 1 254.374 2.552 20 30 CFEDMO C=CCNC(=O)C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000066898594 373963128 /nfs/dbraw/zinc/96/31/28/373963128.db2.gz FTDNUMRJIDHSKQ-INIZCTEOSA-N 1 1 272.392 2.558 20 30 CFEDMO C=CC[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636029100 383695980 /nfs/dbraw/zinc/69/59/80/383695980.db2.gz VDAYTUGVOPZGNP-IRXDYDNUSA-N 1 1 286.419 2.632 20 30 CFEDMO CC[C@H](C)[N@@H+](C)CC(=O)N(CCC#N)c1ccccc1 ZINC000068449594 374030536 /nfs/dbraw/zinc/03/05/36/374030536.db2.gz GYTKEUNZHAXBLN-AWEZNQCLSA-N 1 1 273.380 2.664 20 30 CFEDMO C#Cc1ccc(C[N@H+](CCOC)Cc2cccnc2)cc1 ZINC000289519501 197387730 /nfs/dbraw/zinc/38/77/30/197387730.db2.gz VHBILBLYWYCBER-UHFFFAOYSA-N 1 1 280.371 2.712 20 30 CFEDMO C[N@H+]1CCC[C@@H](CNc2cc(C#N)c3ccccc3n2)C1 ZINC000069052386 374045833 /nfs/dbraw/zinc/04/58/33/374045833.db2.gz HMYKPXIKFWTQSB-ZDUSSCGKSA-N 1 1 280.375 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DUXWIUHDMABEII-OAHLLOKOSA-N 1 1 285.391 2.665 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCCN(c3ccccn3)CC2)cc1 ZINC000073109731 374322738 /nfs/dbraw/zinc/32/27/38/374322738.db2.gz WSWFDNOFYWWVOW-UHFFFAOYSA-N 1 1 292.386 2.666 20 30 CFEDMO CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCCCC#N)n1 ZINC000075006754 374454414 /nfs/dbraw/zinc/45/44/14/374454414.db2.gz FEUQSYNTQUTQKR-CYBMUJFWSA-N 1 1 294.399 2.929 20 30 CFEDMO CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCCCC#N)n1 ZINC000075006754 374454418 /nfs/dbraw/zinc/45/44/18/374454418.db2.gz FEUQSYNTQUTQKR-CYBMUJFWSA-N 1 1 294.399 2.929 20 30 CFEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000075021107 374456166 /nfs/dbraw/zinc/45/61/66/374456166.db2.gz AFDCQJYJHHHOGA-GASCZTMLSA-N 1 1 291.439 2.934 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)CCc1cccs1 ZINC000075966007 374514581 /nfs/dbraw/zinc/51/45/81/374514581.db2.gz GBHNKBFHWKRFMI-UHFFFAOYSA-N 1 1 280.437 2.647 20 30 CFEDMO C=CCNC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000076120270 374534881 /nfs/dbraw/zinc/53/48/81/374534881.db2.gz FBULUBQEAMFBGQ-GXTWGEPZSA-N 1 1 276.380 2.663 20 30 CFEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](C)C[C@@H]1c1ccc(C)o1 ZINC000076120270 374534885 /nfs/dbraw/zinc/53/48/85/374534885.db2.gz FBULUBQEAMFBGQ-GXTWGEPZSA-N 1 1 276.380 2.663 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccccc1OC ZINC000076738178 374556448 /nfs/dbraw/zinc/55/64/48/374556448.db2.gz DEYWMZKSVBZGLS-UHFFFAOYSA-N 1 1 262.353 2.532 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000076736763 374556891 /nfs/dbraw/zinc/55/68/91/374556891.db2.gz LKWVTZZMPMIMPN-UHFFFAOYSA-N 1 1 280.799 2.854 20 30 CFEDMO C=CCCC[N@@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000076736897 374557370 /nfs/dbraw/zinc/55/73/70/374557370.db2.gz NLJJSDRWXWLBOI-NSHDSACASA-N 1 1 253.346 2.565 20 30 CFEDMO C=CCCC[N@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000076736897 374557375 /nfs/dbraw/zinc/55/73/75/374557375.db2.gz NLJJSDRWXWLBOI-NSHDSACASA-N 1 1 253.346 2.565 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000077023513 374559742 /nfs/dbraw/zinc/55/97/42/374559742.db2.gz IECROBUKTMICEM-HNNXBMFYSA-N 1 1 287.407 2.750 20 30 CFEDMO CC(C)(C)C[N@@H+](CCC#N)CCC(=O)N1CCCCC1 ZINC000078642955 374569119 /nfs/dbraw/zinc/56/91/19/374569119.db2.gz PKBJOOUUMUPFKN-UHFFFAOYSA-N 1 1 279.428 2.651 20 30 CFEDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000081521246 374702689 /nfs/dbraw/zinc/70/26/89/374702689.db2.gz RYVLGKGVJFGQRV-CYBMUJFWSA-N 1 1 262.328 2.556 20 30 CFEDMO COc1ccc(C[N@@H+](C)CCc2ccccn2)cc1C#N ZINC000087833119 374831451 /nfs/dbraw/zinc/83/14/51/374831451.db2.gz UNEPNXKJSKXISC-UHFFFAOYSA-N 1 1 281.359 2.636 20 30 CFEDMO CC(C)(C)[C@H](C#N)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000085441015 374801739 /nfs/dbraw/zinc/80/17/39/374801739.db2.gz WDJKNKNYLABFRK-ZFWWWQNUSA-N 1 1 291.439 2.695 20 30 CFEDMO N#CCNC(=O)C[N@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000084868281 374792902 /nfs/dbraw/zinc/79/29/02/374792902.db2.gz ZUOUNFDERMBRSM-DVQDXYAYSA-N 1 1 297.402 2.584 20 30 CFEDMO C[C@@H]1C[C@H](NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000330367868 335028611 /nfs/dbraw/zinc/02/86/11/335028611.db2.gz HLGYWKZYCOCWAV-MWLCHTKSSA-N 1 1 295.314 2.521 20 30 CFEDMO C[C@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000088704462 374858757 /nfs/dbraw/zinc/85/87/57/374858757.db2.gz HXINUHRRQUQQNS-STQMWFEESA-N 1 1 271.364 2.617 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000088704461 374859481 /nfs/dbraw/zinc/85/94/81/374859481.db2.gz HXINUHRRQUQQNS-OLZOCXBDSA-N 1 1 271.364 2.617 20 30 CFEDMO CC(C)CO[C@H]1CC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000091964696 375074987 /nfs/dbraw/zinc/07/49/87/375074987.db2.gz CRTBTHXWHIYWQY-ZDUSSCGKSA-N 1 1 264.394 2.867 20 30 CFEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H]1CCCCO1 ZINC000092428733 375111271 /nfs/dbraw/zinc/11/12/71/375111271.db2.gz APVHXCSAJRCTOP-GFCCVEGCSA-N 1 1 250.367 2.621 20 30 CFEDMO CN(C[C@H]1CCC[N@H+]1C)c1cccc(Cl)c1C#N ZINC000092630901 375131281 /nfs/dbraw/zinc/13/12/81/375131281.db2.gz JVWHADUVGOMINP-LLVKDONJSA-N 1 1 263.772 2.742 20 30 CFEDMO CN(Cc1ccc(C#N)cc1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431907705 383706124 /nfs/dbraw/zinc/70/61/24/383706124.db2.gz SMPNWHMTCYUSAT-KRWDZBQOSA-N 1 1 299.418 2.781 20 30 CFEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000092802034 375156698 /nfs/dbraw/zinc/15/66/98/375156698.db2.gz IGDZGDJCPWHOJW-HUUCEWRRSA-N 1 1 279.428 2.649 20 30 CFEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000092805094 375158520 /nfs/dbraw/zinc/15/85/20/375158520.db2.gz BSBQMFYYZDLNTG-LSDHHAIUSA-N 1 1 279.428 2.649 20 30 CFEDMO CCC(C)(C)[C@@H]1CCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000092806464 375159217 /nfs/dbraw/zinc/15/92/17/375159217.db2.gz HFRJAGWJFCQJKH-AWEZNQCLSA-N 1 1 279.428 2.649 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000092968525 375169954 /nfs/dbraw/zinc/16/99/54/375169954.db2.gz XYFUTXJCHITNQE-CQSZACIVSA-N 1 1 260.385 2.850 20 30 CFEDMO COCCC[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000092537299 375119998 /nfs/dbraw/zinc/11/99/98/375119998.db2.gz ZVNBQDHNRXBOIF-UHFFFAOYSA-N 1 1 275.396 2.505 20 30 CFEDMO N#Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000093452467 375244118 /nfs/dbraw/zinc/24/41/18/375244118.db2.gz GKXCEKGOZAWNOB-IXDOHACOSA-N 1 1 269.392 2.569 20 30 CFEDMO Cc1cccnc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000093158028 375193334 /nfs/dbraw/zinc/19/33/34/375193334.db2.gz XUQBNVHGFFQZNN-UHFFFAOYSA-N 1 1 251.333 2.894 20 30 CFEDMO C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093324691 375213358 /nfs/dbraw/zinc/21/33/58/375213358.db2.gz SCVUFLHTWXIXQS-GFCCVEGCSA-N 1 1 270.332 2.920 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](COC)C2)cc1 ZINC000093337834 375215910 /nfs/dbraw/zinc/21/59/10/375215910.db2.gz IIARBYZUTGTTAV-INIZCTEOSA-N 1 1 273.376 2.557 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)cc1 ZINC000093417669 375229986 /nfs/dbraw/zinc/22/99/86/375229986.db2.gz YLINHOABXCLLMA-KBPBESRZSA-N 1 1 261.365 2.861 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CCO[C@@H](C)[C@@H]2C)cc1 ZINC000093417669 375229996 /nfs/dbraw/zinc/22/99/96/375229996.db2.gz YLINHOABXCLLMA-KBPBESRZSA-N 1 1 261.365 2.861 20 30 CFEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)CC(C)(C)O ZINC000093414509 375231059 /nfs/dbraw/zinc/23/10/59/375231059.db2.gz OTNGDUGPDOJLAY-UHFFFAOYSA-N 1 1 276.380 2.572 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000093640153 375280548 /nfs/dbraw/zinc/28/05/48/375280548.db2.gz PLKJUGQWMBFTRX-CQSZACIVSA-N 1 1 286.375 2.732 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1 ZINC000093640153 375280553 /nfs/dbraw/zinc/28/05/53/375280553.db2.gz PLKJUGQWMBFTRX-CQSZACIVSA-N 1 1 286.375 2.732 20 30 CFEDMO C#CC[N@H+](Cc1ccc(OC)c(O)c1)C1CCCC1 ZINC000093819765 375317348 /nfs/dbraw/zinc/31/73/48/375317348.db2.gz IWXLEIWOORHGCL-UHFFFAOYSA-N 1 1 259.349 2.779 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093506620 375257761 /nfs/dbraw/zinc/25/77/61/375257761.db2.gz SCIHGGFRRFLDQN-SJLPKXTDSA-N 1 1 285.387 2.700 20 30 CFEDMO C[N@@H+]1CCN(C(=O)c2ccc(C#N)cc2)c2ccccc2C1 ZINC000103411874 375743803 /nfs/dbraw/zinc/74/38/03/375743803.db2.gz FQHIOHPYGNCEPD-UHFFFAOYSA-N 1 1 291.354 2.650 20 30 CFEDMO C[N@H+]1CCN(C(=O)c2ccc(C#N)cc2)c2ccccc2C1 ZINC000103411874 375743809 /nfs/dbraw/zinc/74/38/09/375743809.db2.gz FQHIOHPYGNCEPD-UHFFFAOYSA-N 1 1 291.354 2.650 20 30 CFEDMO CC(C)CC[N@H+](CCC#N)Cc1cc2c(cc1O)OCO2 ZINC000103460229 375747737 /nfs/dbraw/zinc/74/77/37/375747737.db2.gz CRROIZPXXBDLDA-UHFFFAOYSA-N 1 1 290.363 2.883 20 30 CFEDMO CC(C)CC[N@@H+](CCC#N)Cc1cc2c(cc1O)OCO2 ZINC000103460229 375747746 /nfs/dbraw/zinc/74/77/46/375747746.db2.gz CRROIZPXXBDLDA-UHFFFAOYSA-N 1 1 290.363 2.883 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000678717900 542060990 /nfs/dbraw/zinc/06/09/90/542060990.db2.gz ASVYBGJUAGKGBO-UONOGXRCSA-N 1 1 272.396 2.594 20 30 CFEDMO CCc1[nH+]ccn1[C@H]1CCCN(c2ncccc2C#N)C1 ZINC000105795602 375792509 /nfs/dbraw/zinc/79/25/09/375792509.db2.gz DCXNNEAWSUBKGE-AWEZNQCLSA-N 1 1 281.363 2.554 20 30 CFEDMO COC(=O)CC[N@@H+](CCCC#N)Cc1ccc(F)c(F)c1 ZINC000111255921 375835629 /nfs/dbraw/zinc/83/56/29/375835629.db2.gz UMNUNTDCFHDFFY-UHFFFAOYSA-N 1 1 296.317 2.634 20 30 CFEDMO CC(C)(C)C[N@H+](CCC#N)C[C@@H](O)COc1ccccc1 ZINC000111250704 375836549 /nfs/dbraw/zinc/83/65/49/375836549.db2.gz YLMOFPMBRDJXPI-OAHLLOKOSA-N 1 1 290.407 2.688 20 30 CFEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@@H](O)COc1ccccc1 ZINC000111250704 375836552 /nfs/dbraw/zinc/83/65/52/375836552.db2.gz YLMOFPMBRDJXPI-OAHLLOKOSA-N 1 1 290.407 2.688 20 30 CFEDMO Cc1[nH+]cn(CC(=O)Nc2cc(Cl)ccc2C#N)c1C ZINC000112980539 375981500 /nfs/dbraw/zinc/98/15/00/375981500.db2.gz JPXMZUHOQMOULG-UHFFFAOYSA-N 1 1 288.738 2.664 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000113265364 376002230 /nfs/dbraw/zinc/00/22/30/376002230.db2.gz SNKZHHDRDBLQEL-MAUKXSAKSA-N 1 1 286.419 2.731 20 30 CFEDMO Cc1cccc(NCCNc2ccc(C#N)cc2)[nH+]1 ZINC000114450375 376067352 /nfs/dbraw/zinc/06/73/52/376067352.db2.gz LBISLMPBOIPSNV-UHFFFAOYSA-N 1 1 252.321 2.786 20 30 CFEDMO CC(C)C[N@H+]1CCCC[C@@H]1CNc1ccc(C#N)nc1 ZINC000119065805 376345803 /nfs/dbraw/zinc/34/58/03/376345803.db2.gz GSEXVWHOTXVKEV-MRXNPFEDSA-N 1 1 272.396 2.876 20 30 CFEDMO CCCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118396480 376293464 /nfs/dbraw/zinc/29/34/64/376293464.db2.gz OTBPYKAHZKCQPV-WMLDXEAASA-N 1 1 299.418 3.000 20 30 CFEDMO C[N@@H+](Cc1ccc(F)cc1C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120121452 376549773 /nfs/dbraw/zinc/54/97/73/376549773.db2.gz DKPJDACUSAYALE-XHSDSOJGSA-N 1 1 288.366 2.943 20 30 CFEDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000120898714 376717938 /nfs/dbraw/zinc/71/79/38/376717938.db2.gz RNWIZHYIFBELQN-CYBMUJFWSA-N 1 1 262.328 2.556 20 30 CFEDMO CCCC[N@@H+](CCOC)Cc1ccc(C#N)cc1OC ZINC000120922419 376723782 /nfs/dbraw/zinc/72/37/82/376723782.db2.gz MQBQELRMTMJWFT-UHFFFAOYSA-N 1 1 276.380 2.815 20 30 CFEDMO CCCCC[N@@H+](CCO)Cc1ccc(C#N)cc1OC ZINC000120950494 376729005 /nfs/dbraw/zinc/72/90/05/376729005.db2.gz SEGOXMKGVWMHLO-UHFFFAOYSA-N 1 1 276.380 2.551 20 30 CFEDMO C[N@@H+](CCc1ccccn1)Cc1ccc(C#N)s1 ZINC000120811255 376698427 /nfs/dbraw/zinc/69/84/27/376698427.db2.gz IIUDKEZHJNTJOQ-UHFFFAOYSA-N 1 1 257.362 2.689 20 30 CFEDMO C=CCC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)C1CC1 ZINC000121255376 376791307 /nfs/dbraw/zinc/79/13/07/376791307.db2.gz FJMAXCLKLPUAPH-MAUKXSAKSA-N 1 1 292.467 2.822 20 30 CFEDMO C=CCC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)C1CC1 ZINC000121255705 376791637 /nfs/dbraw/zinc/79/16/37/376791637.db2.gz FJMAXCLKLPUAPH-CRAIPNDOSA-N 1 1 292.467 2.822 20 30 CFEDMO N#Cc1ccc(N2CC[C@@H]([N@H+]3CCC4(CCC4)C3)C2=O)cc1 ZINC000123145176 376948095 /nfs/dbraw/zinc/94/80/95/376948095.db2.gz NFTGFQLEJAOUCG-MRXNPFEDSA-N 1 1 295.386 2.540 20 30 CFEDMO C=CCn1c(C)cc(C(=O)Cn2cc[nH+]c2C)c1C ZINC000123500108 376953882 /nfs/dbraw/zinc/95/38/82/376953882.db2.gz HAQXJMRFNHLDOX-UHFFFAOYSA-N 1 1 257.337 2.679 20 30 CFEDMO C[C@]1(O)CCC[N@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000124405636 377047605 /nfs/dbraw/zinc/04/76/05/377047605.db2.gz XZNFGEHJTWFULE-KRWDZBQOSA-N 1 1 297.358 2.560 20 30 CFEDMO C[C@]1(O)CCC[N@@H+](Cc2ncc(-c3ccc(C#N)cc3)o2)C1 ZINC000124405636 377047609 /nfs/dbraw/zinc/04/76/09/377047609.db2.gz XZNFGEHJTWFULE-KRWDZBQOSA-N 1 1 297.358 2.560 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000123851068 376988297 /nfs/dbraw/zinc/98/82/97/376988297.db2.gz FSCODNZUXHOUEI-DJIMGWMZSA-N 1 1 275.392 2.776 20 30 CFEDMO C[C@]1(O)CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000124475995 377054727 /nfs/dbraw/zinc/05/47/27/377054727.db2.gz XUYWAPNUJDQINZ-HNNXBMFYSA-N 1 1 263.768 2.538 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000125245680 377133076 /nfs/dbraw/zinc/13/30/76/377133076.db2.gz HAGGXENIVFABFW-NEPJUHHUSA-N 1 1 276.405 2.893 20 30 CFEDMO C=CCOc1cccc(C[N@H+](C)CC2(O)CCCC2)c1 ZINC000128072251 377314180 /nfs/dbraw/zinc/31/41/80/377314180.db2.gz 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KURJAWCGUADSNH-JKSUJKDBSA-N 1 1 274.339 2.841 20 30 CFEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000336515137 380395132 /nfs/dbraw/zinc/39/51/32/380395132.db2.gz KURJAWCGUADSNH-JKSUJKDBSA-N 1 1 274.339 2.841 20 30 CFEDMO N#Cc1csc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000336492322 380360030 /nfs/dbraw/zinc/36/00/30/380360030.db2.gz OVOCXQITXYEVNK-CQSZACIVSA-N 1 1 276.405 2.868 20 30 CFEDMO CC(C)(C)[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000279069385 194270931 /nfs/dbraw/zinc/27/09/31/194270931.db2.gz AGGNOGXRQHYSMG-OAHLLOKOSA-N 1 1 258.365 2.805 20 30 CFEDMO CC(C)(C)[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000279069385 194270933 /nfs/dbraw/zinc/27/09/33/194270933.db2.gz AGGNOGXRQHYSMG-OAHLLOKOSA-N 1 1 258.365 2.805 20 30 CFEDMO C[C@H]1[N@@H+](Cc2ccc(C#N)cc2)CCC12CCOCC2 ZINC000336531531 380422978 /nfs/dbraw/zinc/42/29/78/380422978.db2.gz XUJOYIYPFAPRJC-CQSZACIVSA-N 1 1 270.376 2.949 20 30 CFEDMO C[C@H]1CN(C(=O)c2ccc(C#N)cc2)CC[N@H+](C2CCC2)C1 ZINC000336517412 380398023 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C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287327887 380806549 /nfs/dbraw/zinc/80/65/49/380806549.db2.gz KIZAEPBKCGBHOE-WMLDXEAASA-N 1 1 297.402 2.564 20 30 CFEDMO Cc1oncc1C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000181680858 380863828 /nfs/dbraw/zinc/86/38/28/380863828.db2.gz RSWMRICUMLYQNL-UHFFFAOYSA-N 1 1 296.374 2.567 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)C[C@@H]1CCNC(=O)CC1 ZINC000295453714 380864338 /nfs/dbraw/zinc/86/43/38/380864338.db2.gz HILCNEWBOAZQBR-KRWDZBQOSA-N 1 1 286.419 2.633 20 30 CFEDMO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000181557882 380827439 /nfs/dbraw/zinc/82/74/39/380827439.db2.gz VQFYLDIVFNHELP-HOCLYGCPSA-N 1 1 271.408 2.941 20 30 CFEDMO CCC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000181557882 380827442 /nfs/dbraw/zinc/82/74/42/380827442.db2.gz VQFYLDIVFNHELP-HOCLYGCPSA-N 1 1 271.408 2.941 20 30 CFEDMO C=CC[C@H](C)[C@@H](C)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000432795975 383750507 /nfs/dbraw/zinc/75/05/07/383750507.db2.gz 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C/C(=C\c1ccccc1)C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000494262957 382911352 /nfs/dbraw/zinc/91/13/52/382911352.db2.gz UCSVILNFMYIIFA-MDJJKAFGSA-N 1 1 299.418 2.782 20 30 CFEDMO CC[N@@H+](CCC(=O)Nc1ccccc1C#N)C1CCC1 ZINC000533299507 382891581 /nfs/dbraw/zinc/89/15/81/382891581.db2.gz FCNAHJGCXIFFTH-UHFFFAOYSA-N 1 1 271.364 2.761 20 30 CFEDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](CCCC#N)C2CC2)C1 ZINC000493778444 382902751 /nfs/dbraw/zinc/90/27/51/382902751.db2.gz KLMJWNUNHOMCGV-CQSZACIVSA-N 1 1 293.411 2.764 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCSC3)C2)nc1 ZINC000578904027 382964408 /nfs/dbraw/zinc/96/44/08/382964408.db2.gz FNPXOQDYHCVQQA-HNNXBMFYSA-N 1 1 273.405 2.672 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@]3(CCSC3)C2)nc1 ZINC000578904028 382964502 /nfs/dbraw/zinc/96/45/02/382964502.db2.gz FNPXOQDYHCVQQA-OAHLLOKOSA-N 1 1 273.405 2.672 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000442799774 382957893 /nfs/dbraw/zinc/95/78/93/382957893.db2.gz LBLOCINWTAAPHV-ZFWWWQNUSA-N 1 1 252.402 2.578 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000442799772 382958148 /nfs/dbraw/zinc/95/81/48/382958148.db2.gz LBLOCINWTAAPHV-HIFRSBDPSA-N 1 1 252.402 2.578 20 30 CFEDMO C[C@@H]1CC[N@@H+](CCC(=O)N(C)CCC#N)[C@H]2CCCC[C@H]12 ZINC000540010944 382962432 /nfs/dbraw/zinc/96/24/32/382962432.db2.gz VARQNNLOUGXAJI-OAGGEKHMSA-N 1 1 291.439 2.649 20 30 CFEDMO CC1CCC([N@@H+](CCC#N)C[C@H]2CCCO2)CC1 ZINC000441463812 382916108 /nfs/dbraw/zinc/91/61/08/382916108.db2.gz LJUOWEGQLUPORJ-YMAMQOFZSA-N 1 1 250.386 2.960 20 30 CFEDMO C[C@H]1[C@H](C)[N@H+](CCCC#N)CCN1C(=O)OC(C)(C)C ZINC000494709677 382921834 /nfs/dbraw/zinc/92/18/34/382921834.db2.gz HEEOKEJXUFXLDY-STQMWFEESA-N 1 1 281.400 2.620 20 30 CFEDMO C[C@H]1[C@H](C)[N@@H+](CCCC#N)CCN1C(=O)OC(C)(C)C ZINC000494709677 382921839 /nfs/dbraw/zinc/92/18/39/382921839.db2.gz HEEOKEJXUFXLDY-STQMWFEESA-N 1 1 281.400 2.620 20 30 CFEDMO CC(C)[N@H+](Cc1ccc(C#N)o1)Cc1ccccn1 ZINC000534347088 382927777 /nfs/dbraw/zinc/92/77/77/382927777.db2.gz UOXXPNWZSCLKFO-UHFFFAOYSA-N 1 1 255.321 2.957 20 30 CFEDMO CC(C)[N@@H+](Cc1ccc(C#N)o1)Cc1ccccn1 ZINC000534347088 382927780 /nfs/dbraw/zinc/92/77/80/382927780.db2.gz UOXXPNWZSCLKFO-UHFFFAOYSA-N 1 1 255.321 2.957 20 30 CFEDMO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000442940529 382963228 /nfs/dbraw/zinc/96/32/28/382963228.db2.gz CFJDVARPNYWYAK-MRXNPFEDSA-N 1 1 266.429 2.969 20 30 CFEDMO CC[C@]1(C)CC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000534472273 382930935 /nfs/dbraw/zinc/93/09/35/382930935.db2.gz KWQAWVQQZTWELX-QGZVFWFLSA-N 1 1 286.375 2.967 20 30 CFEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H](C)C#N)cc1 ZINC000444450896 382973728 /nfs/dbraw/zinc/97/37/28/382973728.db2.gz QWWSEJQTFBNQEV-NEPJUHHUSA-N 1 1 282.347 2.518 20 30 CFEDMO C[N@@H+](CCCCC(C)(C)C#N)C[C@@H](O)C(F)(F)F ZINC000444677567 382976229 /nfs/dbraw/zinc/97/62/29/382976229.db2.gz WOLJCKQPTOUKGV-SNVBAGLBSA-N 1 1 266.307 2.561 20 30 CFEDMO CC(=O)N1CC[N@@H+](CCCCC(C)(C)C#N)C(C)(C)C1 ZINC000444673445 382976687 /nfs/dbraw/zinc/97/66/87/382976687.db2.gz MQIYKOOFNDRSPK-UHFFFAOYSA-N 1 1 279.428 2.649 20 30 CFEDMO CCC[C@]1(C)C(=O)NCC[N@@H+]1CCCCC(C)(C)C#N ZINC000444685906 382977840 /nfs/dbraw/zinc/97/78/40/382977840.db2.gz BJISKQINYKTFQN-MRXNPFEDSA-N 1 1 279.428 2.697 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495277479 382977878 /nfs/dbraw/zinc/97/78/78/382977878.db2.gz VHVXACVHTRNNME-QWHCGFSZSA-N 1 1 268.401 2.798 20 30 CFEDMO C=CCCC[C@@H](C)[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000545326845 382977982 /nfs/dbraw/zinc/97/79/82/382977982.db2.gz CHCMWNQGPVYFRV-CABCVRRESA-N 1 1 255.402 2.857 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444691682 382978404 /nfs/dbraw/zinc/97/84/04/382978404.db2.gz KENBOGHXQZOPES-MNOVXSKESA-N 1 1 251.292 2.588 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444736526 382979650 /nfs/dbraw/zinc/97/96/50/382979650.db2.gz WHHMBLRSXAJDPT-MNOVXSKESA-N 1 1 251.292 2.588 20 30 CFEDMO C=CC[C@@H]1[N@@H+](C[C@@H](O)CCOCC)CCCC1(C)C ZINC000444778954 382980383 /nfs/dbraw/zinc/98/03/83/382980383.db2.gz KDVIKQTVJVYGJX-GJZGRUSLSA-N 1 1 269.429 2.841 20 30 CFEDMO C=CC[C@H]1[N@H+](CC(=O)NCC2CC2)CCCC1(C)C ZINC000444779017 382980440 /nfs/dbraw/zinc/98/04/40/382980440.db2.gz XGHTYEURVBCXIP-CQSZACIVSA-N 1 1 264.413 2.579 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000495335255 382980573 /nfs/dbraw/zinc/98/05/73/382980573.db2.gz FIMHERDMFYOFNN-BBRMVZONSA-N 1 1 295.427 2.725 20 30 CFEDMO CCOc1cc(C[N@H+](CCC#N)C(C)C)ccc1O ZINC000579083178 382981085 /nfs/dbraw/zinc/98/10/85/382981085.db2.gz BLAZGSKIYYIXHB-UHFFFAOYSA-N 1 1 262.353 2.915 20 30 CFEDMO CCOc1cc(C[N@@H+](CCC#N)C(C)C)ccc1O ZINC000579083178 382981089 /nfs/dbraw/zinc/98/10/89/382981089.db2.gz BLAZGSKIYYIXHB-UHFFFAOYSA-N 1 1 262.353 2.915 20 30 CFEDMO C=CC[C@@H]1[N@H+](CC(=O)NCc2ccco2)CCCC1(C)C ZINC000444776406 382981184 /nfs/dbraw/zinc/98/11/84/382981184.db2.gz BMUWRHOYQJKZHI-HNNXBMFYSA-N 1 1 290.407 2.963 20 30 CFEDMO C=CC[C@H]1[N@H+](Cc2nnnn2C(C)(C)C)CCCC1(C)C ZINC000444774654 382981271 /nfs/dbraw/zinc/98/12/71/382981271.db2.gz JZIZBHNMEVYYFR-CYBMUJFWSA-N 1 1 291.443 2.995 20 30 CFEDMO C=CC[C@H]1[N@@H+](Cc2nnnn2C(C)(C)C)CCCC1(C)C ZINC000444774654 382981274 /nfs/dbraw/zinc/98/12/74/382981274.db2.gz JZIZBHNMEVYYFR-CYBMUJFWSA-N 1 1 291.443 2.995 20 30 CFEDMO C=CC[C@H]1[N@@H+](CC(=O)NC(C)(C)C)CCCC1(C)C ZINC000444783894 382981771 /nfs/dbraw/zinc/98/17/71/382981771.db2.gz MHMPEMNUSFKUQF-CYBMUJFWSA-N 1 1 266.429 2.968 20 30 CFEDMO C=CC[C@H]1N(C(=O)NCC[N@H+](C)C2CC2)CCCC1(C)C ZINC000445078665 382983369 /nfs/dbraw/zinc/98/33/69/382983369.db2.gz FNUCNWVTTFMZCO-OAHLLOKOSA-N 1 1 293.455 2.857 20 30 CFEDMO C[C@@H](O)[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1F ZINC000579116662 382984120 /nfs/dbraw/zinc/98/41/20/382984120.db2.gz AQMPHPPUZZGIGH-MEBBXXQBSA-N 1 1 290.363 2.971 20 30 CFEDMO CCC1(CC)CC[N@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000446737104 382990679 /nfs/dbraw/zinc/99/06/79/382990679.db2.gz YOGIOKOBMDXIEI-HOCLYGCPSA-N 1 1 293.455 2.941 20 30 CFEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000446765239 382993301 /nfs/dbraw/zinc/99/33/01/382993301.db2.gz NMEFWIBPQVVRSR-UHFFFAOYSA-N 1 1 290.363 2.888 20 30 CFEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C#N)CCCC1 ZINC000338438133 383017631 /nfs/dbraw/zinc/01/76/31/383017631.db2.gz HVUREDWSUFDICD-OAHLLOKOSA-N 1 1 291.439 2.841 20 30 CFEDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000495614739 383003228 /nfs/dbraw/zinc/00/32/28/383003228.db2.gz BKQFDWWBRXKRCO-AWEZNQCLSA-N 1 1 295.427 2.917 20 30 CFEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)C[C@H]1NC(=O)OC(C)(C)C ZINC000495641518 383006334 /nfs/dbraw/zinc/00/63/34/383006334.db2.gz PXEROWKHJHDIGF-CHWSQXEVSA-N 1 1 295.427 2.771 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1CCCO[C@H]1CCCCO1 ZINC000338372243 383009513 /nfs/dbraw/zinc/00/95/13/383009513.db2.gz OVNFKHAKDYBHTI-GJZGRUSLSA-N 1 1 253.386 2.960 20 30 CFEDMO C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@H]1CCC[NH2+]C1 ZINC000423010109 383009500 /nfs/dbraw/zinc/00/95/00/383009500.db2.gz WZNDTSJWRLFNEG-ZENOOKHLSA-N 1 1 257.381 2.597 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1CCCO[C@@H]1CCCCO1 ZINC000338372254 383010105 /nfs/dbraw/zinc/01/01/05/383010105.db2.gz OVNFKHAKDYBHTI-HUUCEWRRSA-N 1 1 253.386 2.960 20 30 CFEDMO CC(C)(C)[C@H]1C[N@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000447824657 383012190 /nfs/dbraw/zinc/01/21/90/383012190.db2.gz AGVRONLOLNPDPF-MRXNPFEDSA-N 1 1 288.391 2.684 20 30 CFEDMO CC(C)(C)[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)CCO1 ZINC000447824657 383012201 /nfs/dbraw/zinc/01/22/01/383012201.db2.gz AGVRONLOLNPDPF-MRXNPFEDSA-N 1 1 288.391 2.684 20 30 CFEDMO N#CCCCC[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245606151 383013159 /nfs/dbraw/zinc/01/31/59/383013159.db2.gz KAUIEMKLJHAXBM-UONOGXRCSA-N 1 1 268.426 2.667 20 30 CFEDMO N#Cc1cnc(NC[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000549997810 383018768 /nfs/dbraw/zinc/01/87/68/383018768.db2.gz QJWNZEQXUPHONQ-SNVBAGLBSA-N 1 1 276.771 2.503 20 30 CFEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000443315108 382967063 /nfs/dbraw/zinc/96/70/63/382967063.db2.gz BZRDXPWZORRQOI-JKIFEVAISA-N 1 1 275.367 2.659 20 30 CFEDMO C[C@@H](C(=O)Nc1ccccc1C#N)[NH+]1CCC(CC#N)CC1 ZINC000541952984 382967642 /nfs/dbraw/zinc/96/76/42/382967642.db2.gz YJFVPYLDSFKAFI-ZDUSSCGKSA-N 1 1 296.374 2.511 20 30 CFEDMO C=CC[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245621618 383016110 /nfs/dbraw/zinc/01/61/10/383016110.db2.gz FIRQIZHBWHMNCZ-IMJJTQAJSA-N 1 1 287.407 2.696 20 30 CFEDMO C[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000495796391 383028299 /nfs/dbraw/zinc/02/82/99/383028299.db2.gz VKFZIIUJDVRJOT-BFHYXJOUSA-N 1 1 293.411 2.620 20 30 CFEDMO C[C@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000495796391 383028302 /nfs/dbraw/zinc/02/83/02/383028302.db2.gz VKFZIIUJDVRJOT-BFHYXJOUSA-N 1 1 293.411 2.620 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245769587 383033599 /nfs/dbraw/zinc/03/35/99/383033599.db2.gz RNGQJGGJOKSOCY-KBPBESRZSA-N 1 1 250.386 2.817 20 30 CFEDMO C=CCCCNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000447952132 383034223 /nfs/dbraw/zinc/03/42/23/383034223.db2.gz HAVMHSVNQLHAET-QLFBSQMISA-N 1 1 281.444 2.618 20 30 CFEDMO C=CCCCNC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000447959945 383034856 /nfs/dbraw/zinc/03/48/56/383034856.db2.gz UXMBGJOMCSQELE-UHFFFAOYSA-N 1 1 293.386 2.523 20 30 CFEDMO C=CCCCNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000447964546 383035722 /nfs/dbraw/zinc/03/57/22/383035722.db2.gz QQMPWZHUDSUURL-OAHLLOKOSA-N 1 1 279.428 2.516 20 30 CFEDMO C=CCCCNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000447974474 383037462 /nfs/dbraw/zinc/03/74/62/383037462.db2.gz DMFMAMDTPXUZFZ-GASCZTMLSA-N 1 1 281.444 2.620 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000245820667 383038611 /nfs/dbraw/zinc/03/86/11/383038611.db2.gz MAFKOMPTCOYORG-GDBMZVCRSA-N 1 1 287.407 2.688 20 30 CFEDMO 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N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451415657 383609991 /nfs/dbraw/zinc/60/99/91/383609991.db2.gz FOTFAMJDKMVJTE-IAOVAPTHSA-N 1 1 288.366 2.823 20 30 CFEDMO CC1(C)CCC[N@H+]1CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000450947860 383563044 /nfs/dbraw/zinc/56/30/44/383563044.db2.gz DIDMIZOUIJRTHR-UHFFFAOYSA-N 1 1 288.351 2.753 20 30 CFEDMO C=CCN(C)CC[N@@H+](CC)CCOc1ccc(F)cc1 ZINC000429720698 383564170 /nfs/dbraw/zinc/56/41/70/383564170.db2.gz FSWRNWIZTJNMBK-UHFFFAOYSA-N 1 1 280.387 2.644 20 30 CFEDMO C=CC[N@@H+](C)CCN(CC)CCOc1ccc(F)cc1 ZINC000429720698 383564177 /nfs/dbraw/zinc/56/41/77/383564177.db2.gz FSWRNWIZTJNMBK-UHFFFAOYSA-N 1 1 280.387 2.644 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)CCOc1ccc(F)cc1 ZINC000429720698 383564178 /nfs/dbraw/zinc/56/41/78/383564178.db2.gz FSWRNWIZTJNMBK-UHFFFAOYSA-N 1 1 280.387 2.644 20 30 CFEDMO C=CC[N@H+](CC/C=C/c1cncc(OC)c1)CCOC ZINC000570039364 383564335 /nfs/dbraw/zinc/56/43/35/383564335.db2.gz SYZZFAQULOUDTL-FNORWQNLSA-N 1 1 276.380 2.628 20 30 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BXQFXTFSZIULKV-AWEZNQCLSA-N 1 1 271.364 2.617 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000489427895 383618186 /nfs/dbraw/zinc/61/81/86/383618186.db2.gz MZTNCJGIKIZEGN-INIZCTEOSA-N 1 1 283.375 2.927 20 30 CFEDMO C[C@@H](C#N)CN(C)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000570695461 383626758 /nfs/dbraw/zinc/62/67/58/383626758.db2.gz ZMXPSCXFMMHBDL-SMDDNHRTSA-N 1 1 293.798 2.561 20 30 CFEDMO Cc1nnc(C[NH2+][C@@H](CCCC#N)c2ccccc2)[nH]1 ZINC000433022115 383752639 /nfs/dbraw/zinc/75/26/39/383752639.db2.gz ITYVUEMJDANCPU-AWEZNQCLSA-N 1 1 269.352 2.638 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000433022764 383752880 /nfs/dbraw/zinc/75/28/80/383752880.db2.gz XITFOFTUFGEGBG-CYBMUJFWSA-N 1 1 250.386 2.696 20 30 CFEDMO N#CCCC[C@@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1 ZINC000433023950 383752975 /nfs/dbraw/zinc/75/29/75/383752975.db2.gz USEAJTTZOZMHQT-OAHLLOKOSA-N 1 1 296.378 2.533 20 30 CFEDMO C[N@@H+](CC(=O)NC1(C#N)CCC1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000572104959 383754700 /nfs/dbraw/zinc/75/47/00/383754700.db2.gz RIIAQGMTGHOZPM-KGLIPLIRSA-N 1 1 291.439 2.695 20 30 CFEDMO C[N@@H+](CCCOc1ccc2c(c1)OCO2)CC(C)(C)C#N ZINC000433308981 383758762 /nfs/dbraw/zinc/75/87/62/383758762.db2.gz WBRBAXYSVKVWRG-UHFFFAOYSA-N 1 1 290.363 2.666 20 30 CFEDMO COc1c(C)c[nH+]c(CN(C)CC(C)(C)C#N)c1C ZINC000433301273 383758994 /nfs/dbraw/zinc/75/89/94/383758994.db2.gz GGTWVYBGFZRUGV-UHFFFAOYSA-N 1 1 261.369 2.689 20 30 CFEDMO Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)CC(C)(C)C#N ZINC000433305024 383759349 /nfs/dbraw/zinc/75/93/49/383759349.db2.gz OYSPWIKCTSLMGU-HNNXBMFYSA-N 1 1 290.407 2.525 20 30 CFEDMO Cc1cccc(C)c1OC[C@@H](O)C[N@H+](C)CC(C)(C)C#N ZINC000433305024 383759352 /nfs/dbraw/zinc/75/93/52/383759352.db2.gz OYSPWIKCTSLMGU-HNNXBMFYSA-N 1 1 290.407 2.525 20 30 CFEDMO C[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)CC(C)(C)C#N ZINC000433316102 383759998 /nfs/dbraw/zinc/75/99/98/383759998.db2.gz HCRSJYHJJNWZFN-AWEZNQCLSA-N 1 1 280.799 2.725 20 30 CFEDMO C[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)CC(C)(C)C#N ZINC000433316102 383759999 /nfs/dbraw/zinc/75/99/99/383759999.db2.gz HCRSJYHJJNWZFN-AWEZNQCLSA-N 1 1 280.799 2.725 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(c2ccc(C)cc2)C1 ZINC000434753059 383771500 /nfs/dbraw/zinc/77/15/00/383771500.db2.gz PICJPZXJWWTOGS-CRAIPNDOSA-N 1 1 286.419 2.649 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434985361 383772659 /nfs/dbraw/zinc/77/26/59/383772659.db2.gz IEIAAMSOXAKXMR-UHFFFAOYSA-N 1 1 295.390 2.867 20 30 CFEDMO CC[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H](C)O1 ZINC000264729596 383777283 /nfs/dbraw/zinc/77/72/83/383777283.db2.gz PISXLARLRSLNSR-HIFRSBDPSA-N 1 1 274.364 2.588 20 30 CFEDMO CC[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H](C)O1 ZINC000264729596 383777289 /nfs/dbraw/zinc/77/72/89/383777289.db2.gz PISXLARLRSLNSR-HIFRSBDPSA-N 1 1 274.364 2.588 20 30 CFEDMO C=C(C)C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000264938203 383803899 /nfs/dbraw/zinc/80/38/99/383803899.db2.gz HGEKNQZSPLWFIM-UHFFFAOYSA-N 1 1 272.392 2.799 20 30 CFEDMO CCC[N@@H+](C)CC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000436349956 383808124 /nfs/dbraw/zinc/80/81/24/383808124.db2.gz FFCKTOAIWBNPMZ-IAGOWNOFSA-N 1 1 299.418 2.627 20 30 CFEDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000264995738 383813497 /nfs/dbraw/zinc/81/34/97/383813497.db2.gz CJLRHTHVCCGDMT-INIZCTEOSA-N 1 1 288.391 2.837 20 30 CFEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CCCC[C@@H]1O ZINC000572768504 383814792 /nfs/dbraw/zinc/81/47/92/383814792.db2.gz BWCKDVGHFLUJNV-KGLIPLIRSA-N 1 1 252.402 2.799 20 30 CFEDMO C=C(C)C[N@@H+](CCC[C@@H]1CCOC1)Cc1ccc(CO)o1 ZINC000645910822 383790018 /nfs/dbraw/zinc/79/00/18/383790018.db2.gz YCCFZEZSRYSFSH-OAHLLOKOSA-N 1 1 293.407 2.967 20 30 CFEDMO C#CCCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000264846257 383790394 /nfs/dbraw/zinc/79/03/94/383790394.db2.gz AYAFKSCKXZNIGQ-UHFFFAOYSA-N 1 1 272.392 2.670 20 30 CFEDMO C[N@H+]1CCN(C(=O)C[C@@H](CC#N)c2ccccc2)CC1(C)C ZINC000572540807 383791511 /nfs/dbraw/zinc/79/15/11/383791511.db2.gz JOERXOOMVNGUEU-MRXNPFEDSA-N 1 1 299.418 2.627 20 30 CFEDMO CC1=CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000436252900 383792293 /nfs/dbraw/zinc/79/22/93/383792293.db2.gz KDHOMFXTTPKOTQ-UHFFFAOYSA-N 1 1 269.348 2.539 20 30 CFEDMO COC1CCC([N@@H+](C)Cc2ccc(OCC#N)cc2)CC1 ZINC000265266892 383879453 /nfs/dbraw/zinc/87/94/53/383879453.db2.gz ZOTYHWQHERBEKW-UHFFFAOYSA-N 1 1 288.391 2.978 20 30 CFEDMO C=CCOCC[N@@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000646073798 383848868 /nfs/dbraw/zinc/84/88/68/383848868.db2.gz JEBZTUSKRAZSIQ-ZWKOTPCHSA-N 1 1 289.419 2.647 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000640622704 383854803 /nfs/dbraw/zinc/85/48/03/383854803.db2.gz MDDWLRKYALAMFG-KGLIPLIRSA-N 1 1 266.429 2.777 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H]1Cc1ccccc1 ZINC000437828387 383912206 /nfs/dbraw/zinc/91/22/06/383912206.db2.gz LMHUAYGJBJKOEY-WMZOPIPTSA-N 1 1 298.430 2.893 20 30 CFEDMO C=CC[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000265427869 383914612 /nfs/dbraw/zinc/91/46/12/383914612.db2.gz MCYVRQJIEZNJLC-ZBFHGGJFSA-N 1 1 287.407 2.525 20 30 CFEDMO C=CC[C@@H]1CCN(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)C1 ZINC000636982499 383930306 /nfs/dbraw/zinc/93/03/06/383930306.db2.gz TXJKSJQFSGAPRJ-RHSMWYFYSA-N 1 1 299.418 2.781 20 30 CFEDMO C=CC[C@@H]1CCN(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)C1 ZINC000636982499 383930311 /nfs/dbraw/zinc/93/03/11/383930311.db2.gz TXJKSJQFSGAPRJ-RHSMWYFYSA-N 1 1 299.418 2.781 20 30 CFEDMO C#CCCCC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000192161749 533020763 /nfs/dbraw/zinc/02/07/63/533020763.db2.gz ZIVWGDLZPCUECS-DOTOQJQBSA-N 1 1 284.403 2.569 20 30 CFEDMO CC[N@H+]1CCC[C@H]1CNc1cccc(-n2cccn2)c1C#N ZINC000573219991 383896312 /nfs/dbraw/zinc/89/63/12/383896312.db2.gz TWZRMUBLDATQMQ-AWEZNQCLSA-N 1 1 295.390 2.640 20 30 CFEDMO C=CCC[C@@H](C)[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437082853 383900264 /nfs/dbraw/zinc/90/02/64/383900264.db2.gz LYAOBPNWOQPPTR-CYBMUJFWSA-N 1 1 288.370 2.910 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](O)C(C)(C)C2)cc1 ZINC000438343209 383986411 /nfs/dbraw/zinc/98/64/11/383986411.db2.gz RMCFUAOATRTZJV-INIZCTEOSA-N 1 1 275.392 2.844 20 30 CFEDMO C[N@@H+](CCN1CCCC1=O)Cc1ccccc1C(C)(C)C#N ZINC000532267782 384002960 /nfs/dbraw/zinc/00/29/60/384002960.db2.gz BUQKCFSWMFPKNT-UHFFFAOYSA-N 1 1 299.418 2.542 20 30 CFEDMO CCn1ccnc1C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000265622681 383960433 /nfs/dbraw/zinc/96/04/33/383960433.db2.gz ANDGXNDOJDZIGJ-CYBMUJFWSA-N 1 1 284.363 2.656 20 30 CFEDMO C[C@H]1CSCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000265671931 383972731 /nfs/dbraw/zinc/97/27/31/383972731.db2.gz XAQHDADAEQLCQB-LBPRGKRZSA-N 1 1 262.378 2.526 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000438524575 384016322 /nfs/dbraw/zinc/01/63/22/384016322.db2.gz RRFBWCNOTVABLN-HOCLYGCPSA-N 1 1 286.375 2.568 20 30 CFEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000438502835 384014416 /nfs/dbraw/zinc/01/44/16/384014416.db2.gz PXSFKPHLSQRQOW-CVEARBPZSA-N 1 1 286.375 2.750 20 30 CFEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(C)C)C1 ZINC000438502835 384014421 /nfs/dbraw/zinc/01/44/21/384014421.db2.gz PXSFKPHLSQRQOW-CVEARBPZSA-N 1 1 286.375 2.750 20 30 CFEDMO COC(=O)c1cc2cc(C[N@H+](C)C[C@@H](C)C#N)ccc2o1 ZINC000265993663 384045449 /nfs/dbraw/zinc/04/54/49/384045449.db2.gz KODADKGTTXAMRN-NSHDSACASA-N 1 1 286.331 2.811 20 30 CFEDMO COC(=O)c1cc2cc(C[N@@H+](C)C[C@@H](C)C#N)ccc2o1 ZINC000265993663 384045455 /nfs/dbraw/zinc/04/54/55/384045455.db2.gz KODADKGTTXAMRN-NSHDSACASA-N 1 1 286.331 2.811 20 30 CFEDMO N#CCC1(O)C[NH+](CC(c2ccccc2)c2ccccc2)C1 ZINC000438836709 384027602 /nfs/dbraw/zinc/02/76/02/384027602.db2.gz PTHQNNUAMWASMQ-UHFFFAOYSA-N 1 1 292.382 2.779 20 30 CFEDMO C=CC(C)(C)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000637323632 384030298 /nfs/dbraw/zinc/03/02/98/384030298.db2.gz KYUSTWAGRKYUNC-YIONKMFJSA-N 1 1 293.455 2.855 20 30 CFEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000439788506 384038265 /nfs/dbraw/zinc/03/82/65/384038265.db2.gz NFFLDAGVPULDPW-WKILWMFISA-N 1 1 275.392 2.987 20 30 CFEDMO N#CCCCOc1cccc(C[N@H+](CCO)C2CCC2)c1 ZINC000439786363 384038333 /nfs/dbraw/zinc/03/83/33/384038333.db2.gz CQCCUJZHUBALEN-UHFFFAOYSA-N 1 1 288.391 2.716 20 30 CFEDMO C[N@@H+](Cc1cc(C#N)cs1)C1CCC(CO)CC1 ZINC000574305462 384077408 /nfs/dbraw/zinc/07/74/08/384077408.db2.gz NCXSFPVEQPPZAW-UHFFFAOYSA-N 1 1 264.394 2.603 20 30 CFEDMO C=CC[C@H](CC)NC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000281098936 195103990 /nfs/dbraw/zinc/10/39/90/195103990.db2.gz WCRNJJJVILQVKT-QWHCGFSZSA-N 1 1 279.384 2.536 20 30 CFEDMO N#Cc1csc(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)n1 ZINC000574518326 384107683 /nfs/dbraw/zinc/10/76/83/384107683.db2.gz YLRQZLLVJBYDSW-BFHYXJOUSA-N 1 1 291.420 2.530 20 30 CFEDMO N#Cc1csc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)n1 ZINC000574518326 384107686 /nfs/dbraw/zinc/10/76/86/384107686.db2.gz YLRQZLLVJBYDSW-BFHYXJOUSA-N 1 1 291.420 2.530 20 30 CFEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000574564799 384115410 /nfs/dbraw/zinc/11/54/10/384115410.db2.gz DJJIJCSAAFSRPG-GFCCVEGCSA-N 1 1 290.367 2.999 20 30 CFEDMO CC(C)CN(C(=O)C[N@H+]1CC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000574782127 384147287 /nfs/dbraw/zinc/14/72/87/384147287.db2.gz RGKULBSWJLUSFN-HNNXBMFYSA-N 1 1 299.418 2.889 20 30 CFEDMO Cc1c(C#N)c(NC[C@@H]2CCC[N@H+](C)C2)nc2ccccc12 ZINC000574876141 384157057 /nfs/dbraw/zinc/15/70/57/384157057.db2.gz WVHJMRJVXLRSRD-AWEZNQCLSA-N 1 1 294.402 2.591 20 30 CFEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000266946493 384267286 /nfs/dbraw/zinc/26/72/86/384267286.db2.gz SQNMABFOLDVIIC-LLVKDONJSA-N 1 1 296.317 2.570 20 30 CFEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000266946493 384267292 /nfs/dbraw/zinc/26/72/92/384267292.db2.gz SQNMABFOLDVIIC-LLVKDONJSA-N 1 1 296.317 2.570 20 30 CFEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000266946494 384268015 /nfs/dbraw/zinc/26/80/15/384268015.db2.gz SQNMABFOLDVIIC-NSHDSACASA-N 1 1 296.317 2.570 20 30 CFEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000266946494 384268024 /nfs/dbraw/zinc/26/80/24/384268024.db2.gz SQNMABFOLDVIIC-NSHDSACASA-N 1 1 296.317 2.570 20 30 CFEDMO N#Cc1c(NC[C@H]2CCCC[N@H+]2C2CC2)nc2ccccn12 ZINC000277555854 384336437 /nfs/dbraw/zinc/33/64/37/384336437.db2.gz YDDKGRRSWXQTJX-CQSZACIVSA-N 1 1 295.390 2.635 20 30 CFEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](CC)CC(C)(C)O)c1C ZINC000267350683 384365138 /nfs/dbraw/zinc/36/51/38/384365138.db2.gz UTQZDWUCLKDOCS-UHFFFAOYSA-N 1 1 292.423 2.566 20 30 CFEDMO C=CCn1c(C)cc(C(=O)C[N@H+](CC)CC(C)(C)O)c1C ZINC000267350683 384365148 /nfs/dbraw/zinc/36/51/48/384365148.db2.gz UTQZDWUCLKDOCS-UHFFFAOYSA-N 1 1 292.423 2.566 20 30 CFEDMO C[C@@H](O)[C@H]1CCCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000267392236 384377001 /nfs/dbraw/zinc/37/70/01/384377001.db2.gz PDHLTPVIBYQTAZ-CZUORRHYSA-N 1 1 277.795 2.927 20 30 CFEDMO C=CCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000267401981 384380016 /nfs/dbraw/zinc/38/00/16/384380016.db2.gz JJAMAMQUBSPQOY-WBVHZDCISA-N 1 1 286.419 2.979 20 30 CFEDMO C=CC[C@@H]1[N@H+](Cc2cc(=O)c(O)co2)CCCC1(C)C ZINC000277933159 384442290 /nfs/dbraw/zinc/44/22/90/384442290.db2.gz YVKFISGBDWBREL-HNNXBMFYSA-N 1 1 277.364 2.912 20 30 CFEDMO C=CCCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000267904952 384487125 /nfs/dbraw/zinc/48/71/25/384487125.db2.gz KMWRPNVHVBKVJH-ZIAGYGMSSA-N 1 1 281.421 2.839 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F)C(C)C ZINC000289312507 197293624 /nfs/dbraw/zinc/29/36/24/197293624.db2.gz DVWQEBIEQSIFDZ-SECBINFHSA-N 1 1 293.720 2.840 20 30 CFEDMO C=CC[NH+](CC=C)[C@H](CNCc1snnc1C)C(C)C ZINC000638356660 384578700 /nfs/dbraw/zinc/57/87/00/384578700.db2.gz JUKVLLBVIVIDGL-CQSZACIVSA-N 1 1 294.468 2.635 20 30 CFEDMO C=CC[NH+](CC=C)[C@@H](CNCc1ccns1)C(C)C ZINC000638357822 384580604 /nfs/dbraw/zinc/58/06/04/384580604.db2.gz UXQHLDSOGVJMCZ-HNNXBMFYSA-N 1 1 279.453 2.931 20 30 CFEDMO Cc1c[nH+]ccc1OC1CCN(c2ccc(C#N)cn2)CC1 ZINC000278417565 384566792 /nfs/dbraw/zinc/56/67/92/384566792.db2.gz IFXJKHDPAXGZRW-UHFFFAOYSA-N 1 1 294.358 2.705 20 30 CFEDMO C=C(C)C[N@H+](CC(=O)NCc1ccco1)Cc1ccccc1 ZINC000279381440 384620232 /nfs/dbraw/zinc/62/02/32/384620232.db2.gz STMWKBYPPPDSAY-UHFFFAOYSA-N 1 1 298.386 2.974 20 30 CFEDMO C=C(C)C[N@@H+](CC(=O)NCc1ccco1)Cc1ccccc1 ZINC000279381440 384620235 /nfs/dbraw/zinc/62/02/35/384620235.db2.gz STMWKBYPPPDSAY-UHFFFAOYSA-N 1 1 298.386 2.974 20 30 CFEDMO C[N@@H+]1C[C@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C1 ZINC000278734370 384594633 /nfs/dbraw/zinc/59/46/33/384594633.db2.gz LECWNHGZHKKJFO-TXEJJXNPSA-N 1 1 295.308 2.575 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)CSC ZINC000279440735 384639715 /nfs/dbraw/zinc/63/97/15/384639715.db2.gz YOBQVLWCEHCTQC-HNNXBMFYSA-N 1 1 265.422 2.789 20 30 CFEDMO CCC(N)=[NH+]OCC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000268652818 384643879 /nfs/dbraw/zinc/64/38/79/384643879.db2.gz QJZGSBMNBHADAU-JTQLQIEISA-N 1 1 297.786 2.558 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](CC)Cc2ccccc2C)C1=O ZINC000281153331 195126842 /nfs/dbraw/zinc/12/68/42/195126842.db2.gz BKOHZVFMRIHBIQ-INIZCTEOSA-N 1 1 272.392 2.604 20 30 CFEDMO COc1ccc(NC(=O)CC[N@H+](C)CCC#N)cc1Cl ZINC000268948983 384700105 /nfs/dbraw/zinc/70/01/05/384700105.db2.gz OVUZGUYIWLLOQF-UHFFFAOYSA-N 1 1 295.770 2.523 20 30 CFEDMO COc1ccc(NC(=O)CC[N@@H+](C)CCC#N)cc1Cl ZINC000268948983 384700109 /nfs/dbraw/zinc/70/01/09/384700109.db2.gz OVUZGUYIWLLOQF-UHFFFAOYSA-N 1 1 295.770 2.523 20 30 CFEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)CC(C)(C)O ZINC000268956599 384702043 /nfs/dbraw/zinc/70/20/43/384702043.db2.gz HEKYQRMFLCBRMC-UHFFFAOYSA-N 1 1 260.381 2.690 20 30 CFEDMO CCC[C@H](C)[N@@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000269509840 384773277 /nfs/dbraw/zinc/77/32/77/384773277.db2.gz OFDRGGYXFFZZSJ-JTQLQIEISA-N 1 1 277.368 2.827 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000279718144 384735957 /nfs/dbraw/zinc/73/59/57/384735957.db2.gz IQMCVVHTVVXSAD-XJKSGUPXSA-N 1 1 288.391 2.692 20 30 CFEDMO C=CCCC[N@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000269677695 384831984 /nfs/dbraw/zinc/83/19/84/384831984.db2.gz XCQSZQUTJBYYCS-UHFFFAOYSA-N 1 1 261.291 2.837 20 30 CFEDMO C=C(C)C[N@@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269684713 384835333 /nfs/dbraw/zinc/83/53/33/384835333.db2.gz ZMKJKFOJVCQBSQ-AWEZNQCLSA-N 1 1 264.325 2.526 20 30 CFEDMO C=CCCCC[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000280095762 384882296 /nfs/dbraw/zinc/88/22/96/384882296.db2.gz MUUOZAHLVLDQGJ-AWEZNQCLSA-N 1 1 256.353 2.840 20 30 CFEDMO C[C@@H](O)C[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000269794193 384868586 /nfs/dbraw/zinc/86/85/86/384868586.db2.gz KICDSPJRVMFXSE-CZUORRHYSA-N 1 1 277.795 2.927 20 30 CFEDMO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(C#N)cc1F ZINC000280274317 384955082 /nfs/dbraw/zinc/95/50/82/384955082.db2.gz YBEQDMIPMVYPMS-HNNXBMFYSA-N 1 1 284.338 2.598 20 30 CFEDMO COc1ccsc1C[NH+]1CCC(F)(C#N)CC1 ZINC000348709356 533097618 /nfs/dbraw/zinc/09/76/18/533097618.db2.gz MJKDOMSSHAWJJL-UHFFFAOYSA-N 1 1 254.330 2.584 20 30 CFEDMO N#Cc1cnc2ccccc2c1NCC[N@@H+]1CC=CCC1 ZINC000280174272 384914391 /nfs/dbraw/zinc/91/43/91/384914391.db2.gz HLANVYXVNKXXNZ-UHFFFAOYSA-N 1 1 278.359 2.780 20 30 CFEDMO C[C@H](CO)[N@H+](Cc1ccc(C#N)cc1F)CC1CCC1 ZINC000280366580 384992196 /nfs/dbraw/zinc/99/21/96/384992196.db2.gz KDLJLGVTROBBHI-GFCCVEGCSA-N 1 1 276.355 2.680 20 30 CFEDMO C#CC[C@H]([NH2+]Cc1ccc(CO)o1)c1ccccc1 ZINC000270205560 385013099 /nfs/dbraw/zinc/01/30/99/385013099.db2.gz MYTFXOKYFBMJKH-INIZCTEOSA-N 1 1 255.317 2.626 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC#N)cc2)[C@H](C)C1 ZINC000270313414 385050282 /nfs/dbraw/zinc/05/02/82/385050282.db2.gz HYEQLASOZRYBEO-RHSMWYFYSA-N 1 1 299.418 2.555 20 30 CFEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(CC#N)cc2)C1 ZINC000270343736 385063207 /nfs/dbraw/zinc/06/32/07/385063207.db2.gz POFASPAIWUNHPW-MRXNPFEDSA-N 1 1 299.418 2.557 20 30 CFEDMO CO[C@@]1(C)CCC[N@@H+](CCOc2ccccc2C#N)CC1 ZINC000280571203 385066203 /nfs/dbraw/zinc/06/62/03/385066203.db2.gz RZEIWCXNIPCQNQ-KRWDZBQOSA-N 1 1 288.391 2.828 20 30 CFEDMO C=C(C)[C@H]1OCC[C@H]1CNc1[nH]c2ccccc2[nH+]1 ZINC000280499335 385037798 /nfs/dbraw/zinc/03/77/98/385037798.db2.gz BYCHSNFZMYRVJY-SMDDNHRTSA-N 1 1 257.337 2.956 20 30 CFEDMO C[C@@H](CO)[N@H+](Cc1cc(C#N)ccc1F)CC1CCC1 ZINC000280520896 385043846 /nfs/dbraw/zinc/04/38/46/385043846.db2.gz OFYHYZGJUNDKEG-LBPRGKRZSA-N 1 1 276.355 2.680 20 30 CFEDMO CCC[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000270437641 385105940 /nfs/dbraw/zinc/10/59/40/385105940.db2.gz YCYIMFYNGKVZHO-MRXNPFEDSA-N 1 1 274.364 2.590 20 30 CFEDMO CCC[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000270437641 385105945 /nfs/dbraw/zinc/10/59/45/385105945.db2.gz YCYIMFYNGKVZHO-MRXNPFEDSA-N 1 1 274.364 2.590 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C)cc2C)C1=O ZINC000281260858 385189959 /nfs/dbraw/zinc/18/99/59/385189959.db2.gz NCTMAQMIZVZSPK-MRXNPFEDSA-N 1 1 272.392 2.522 20 30 CFEDMO Cn1nccc1[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000281400615 385191654 /nfs/dbraw/zinc/19/16/54/385191654.db2.gz NNUUDMOMBWARDC-GOSISDBHSA-N 1 1 279.387 2.999 20 30 CFEDMO Cn1nccc1[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000281400615 385191660 /nfs/dbraw/zinc/19/16/60/385191660.db2.gz NNUUDMOMBWARDC-GOSISDBHSA-N 1 1 279.387 2.999 20 30 CFEDMO N#CCOc1ccc(C[N@H+]2CCCSCC2)cc1 ZINC000270565763 385148192 /nfs/dbraw/zinc/14/81/92/385148192.db2.gz LBGFGXQJFYYVGU-UHFFFAOYSA-N 1 1 262.378 2.528 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)cc1 ZINC000282150651 385228502 /nfs/dbraw/zinc/22/85/02/385228502.db2.gz CSIHWCNJIMVWHF-YOEHRIQHSA-N 1 1 273.376 2.698 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)Cc2csc(C)c2C)C1=O ZINC000639132584 385232070 /nfs/dbraw/zinc/23/20/70/385232070.db2.gz QVOYLVCXESKWCB-AWEZNQCLSA-N 1 1 278.421 2.584 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2csc(C)c2C)C1=O ZINC000639132584 385232077 /nfs/dbraw/zinc/23/20/77/385232077.db2.gz QVOYLVCXESKWCB-AWEZNQCLSA-N 1 1 278.421 2.584 20 30 CFEDMO C=CCCOCCNc1[nH+]cnc2[nH]c(C)c(C)c21 ZINC000645200083 385238785 /nfs/dbraw/zinc/23/87/85/385238785.db2.gz YJVGQIXKXBPVGF-UHFFFAOYSA-N 1 1 260.341 2.579 20 30 CFEDMO C#CCCC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000271010207 385302442 /nfs/dbraw/zinc/30/24/42/385302442.db2.gz HTQWWZKAXWUSMI-GOSISDBHSA-N 1 1 270.420 2.854 20 30 CFEDMO C#CCCC[N@H+](C)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000271010207 385302446 /nfs/dbraw/zinc/30/24/46/385302446.db2.gz HTQWWZKAXWUSMI-GOSISDBHSA-N 1 1 270.420 2.854 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000271050484 385321298 /nfs/dbraw/zinc/32/12/98/385321298.db2.gz PMNIQPFEAKOZFF-UHFFFAOYSA-N 1 1 286.375 2.569 20 30 CFEDMO C=C(C)C[N@@H+](CCC[C@H]1CCO1)Cc1ccc(CO)o1 ZINC000639163809 385267581 /nfs/dbraw/zinc/26/75/81/385267581.db2.gz ZKHHFQZWSCANNH-AWEZNQCLSA-N 1 1 279.380 2.719 20 30 CFEDMO COc1cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1C#N ZINC000282328224 385284082 /nfs/dbraw/zinc/28/40/82/385284082.db2.gz NZYLSPYQLWSQQD-SJCJKPOMSA-N 1 1 286.375 2.566 20 30 CFEDMO COc1cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1C#N ZINC000282328224 385284086 /nfs/dbraw/zinc/28/40/86/385284086.db2.gz NZYLSPYQLWSQQD-SJCJKPOMSA-N 1 1 286.375 2.566 20 30 CFEDMO COc1cc(C[N@@H+]2CCOC3(CCCC3)C2)ccc1C#N ZINC000282347869 385288912 /nfs/dbraw/zinc/28/89/12/385288912.db2.gz PDDXYPXLZYIWGY-UHFFFAOYSA-N 1 1 286.375 2.712 20 30 CFEDMO COc1cc(C[N@H+]2CCOC3(CCCC3)C2)ccc1C#N ZINC000282347869 385288915 /nfs/dbraw/zinc/28/89/15/385288915.db2.gz PDDXYPXLZYIWGY-UHFFFAOYSA-N 1 1 286.375 2.712 20 30 CFEDMO CC(C)(CCC#N)C[N@@H+](CCO)Cc1ccccc1 ZINC000270993952 385295597 /nfs/dbraw/zinc/29/55/97/385295597.db2.gz JCBPTUPZUGHJRG-UHFFFAOYSA-N 1 1 260.381 2.811 20 30 CFEDMO C#CCCC[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000271074929 385328937 /nfs/dbraw/zinc/32/89/37/385328937.db2.gz WTNGDJZNCJUPMA-UHFFFAOYSA-N 1 1 297.301 2.862 20 30 CFEDMO C#CCCC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000271077786 385331164 /nfs/dbraw/zinc/33/11/64/385331164.db2.gz XIQBOOBJAGKEBU-QGZVFWFLSA-N 1 1 257.377 2.939 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@@H](C)c2cc(C)on2)cc1 ZINC000282788846 385389043 /nfs/dbraw/zinc/38/90/43/385389043.db2.gz WIMQCSJXDHMIOM-ZDUSSCGKSA-N 1 1 270.332 2.846 20 30 CFEDMO C#CC[N@H+](CC)Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000271126392 385344367 /nfs/dbraw/zinc/34/43/67/385344367.db2.gz HMKUXUHSAQYLIJ-UHFFFAOYSA-N 1 1 269.348 2.540 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)Cc1cnc(N(C)C)nc1 ZINC000271131209 385345412 /nfs/dbraw/zinc/34/54/12/385345412.db2.gz KHFDXYMBKCBHDN-UHFFFAOYSA-N 1 1 296.418 2.773 20 30 CFEDMO Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H](C)C#N)c1O ZINC000271696176 385389386 /nfs/dbraw/zinc/38/93/86/385389386.db2.gz BEEAEULGRSFOAI-VIFPVBQESA-N 1 1 252.745 2.946 20 30 CFEDMO Cc1cc(Cl)cc(C[N@H+](C)C[C@@H](C)C#N)c1O ZINC000271696176 385389388 /nfs/dbraw/zinc/38/93/88/385389388.db2.gz BEEAEULGRSFOAI-VIFPVBQESA-N 1 1 252.745 2.946 20 30 CFEDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000271190429 385369199 /nfs/dbraw/zinc/36/91/99/385369199.db2.gz LVUOZSMJOUMYLL-INIZCTEOSA-N 1 1 276.355 2.824 20 30 CFEDMO C=CCN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CC1 ZINC000271360945 385380693 /nfs/dbraw/zinc/38/06/93/385380693.db2.gz HHEMDMFZXZOHPM-DLBZAZTESA-N 1 1 299.418 2.792 20 30 CFEDMO C=CC[N@H+](CC(=O)N1CCCc2ccccc21)C1CC1 ZINC000271484315 385384583 /nfs/dbraw/zinc/38/45/83/385384583.db2.gz SYWFRYUUOOOPKU-UHFFFAOYSA-N 1 1 270.376 2.616 20 30 CFEDMO C=CC[N@@H+](CC(=O)N1CCCc2ccccc21)C1CC1 ZINC000271484315 385384589 /nfs/dbraw/zinc/38/45/89/385384589.db2.gz SYWFRYUUOOOPKU-UHFFFAOYSA-N 1 1 270.376 2.616 20 30 CFEDMO CCc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)[nH]1 ZINC000271912364 385399410 /nfs/dbraw/zinc/39/94/10/385399410.db2.gz YEMRSTDOTISLGH-MNOVXSKESA-N 1 1 269.352 2.651 20 30 CFEDMO C[C@H](NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271980030 385417614 /nfs/dbraw/zinc/41/76/14/385417614.db2.gz YNNMQATZZOTOIN-STQMWFEESA-N 1 1 287.382 2.832 20 30 CFEDMO C[C@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)c(F)c1 ZINC000271980030 385417623 /nfs/dbraw/zinc/41/76/23/385417623.db2.gz 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ZINC000286099265 394191845 /nfs/dbraw/zinc/19/18/45/394191845.db2.gz KZXBFQXLEJQMCX-UHFFFAOYSA-N 1 1 278.783 2.931 20 30 CFEDMO CCOC(=O)c1coc(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000421349906 394194923 /nfs/dbraw/zinc/19/49/23/394194923.db2.gz KGGHSXGQEQDJAT-UHFFFAOYSA-N 1 1 290.344 2.679 20 30 CFEDMO COC(=O)c1cc(C[NH2+]Cc2ccc(C#N)s2)oc1C ZINC000421352576 394196649 /nfs/dbraw/zinc/19/66/49/394196649.db2.gz OLWAXORFHOZRJT-UHFFFAOYSA-N 1 1 290.344 2.598 20 30 CFEDMO C=CCOc1ccc(CN[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000151118327 394261266 /nfs/dbraw/zinc/26/12/66/394261266.db2.gz MKQKOBCFVMUYDC-ZBFHGGJFSA-N 1 1 286.419 2.966 20 30 CFEDMO C=CCOc1ccc(CN[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000151118327 394261270 /nfs/dbraw/zinc/26/12/70/394261270.db2.gz MKQKOBCFVMUYDC-ZBFHGGJFSA-N 1 1 286.419 2.966 20 30 CFEDMO C[C@@H]1CN(CC#Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000292136440 394270809 /nfs/dbraw/zinc/27/08/09/394270809.db2.gz IWNXRWYJCXIODZ-QGZVFWFLSA-N 1 1 282.431 2.844 20 30 CFEDMO CC[C@@H]([NH2+][C@@H](CN)CC(C)C)c1ccc(C#N)cc1 ZINC000423263511 394275151 /nfs/dbraw/zinc/27/51/51/394275151.db2.gz OPUHIHOPHPLKGW-HZPDHXFCSA-N 1 1 259.397 2.972 20 30 CFEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000293576907 394283466 /nfs/dbraw/zinc/28/34/66/394283466.db2.gz SXGQLOMIHAZSFV-OAHLLOKOSA-N 1 1 290.794 2.616 20 30 CFEDMO C[C@H]([NH2+][C@@H](CN)C1CCCC1)c1cccc(C#N)c1 ZINC000423515268 394287116 /nfs/dbraw/zinc/28/71/16/394287116.db2.gz XGVOGYJBHLRDEQ-LRDDRELGSA-N 1 1 257.381 2.726 20 30 CFEDMO C[C@@H]([NH2+][C@H](CN)C1CCCC1)c1cccc(C#N)c1 ZINC000423515269 394287220 /nfs/dbraw/zinc/28/72/20/394287220.db2.gz XGVOGYJBHLRDEQ-MLGOLLRUSA-N 1 1 257.381 2.726 20 30 CFEDMO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+]Cc1cccc(C#N)c1 ZINC000153804603 394292120 /nfs/dbraw/zinc/29/21/20/394292120.db2.gz RNCZGTXZSQLGFN-OAHLLOKOSA-N 1 1 295.390 2.898 20 30 CFEDMO CCOC[C@H]1CCC[N@@H+](Cc2cc(C#N)ccc2OC)C1 ZINC000154842280 394303365 /nfs/dbraw/zinc/30/33/65/394303365.db2.gz DWRKUOIKEGZAER-HNNXBMFYSA-N 1 1 288.391 2.815 20 30 CFEDMO N#CCCCC[N@H+]1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000372049848 394304664 /nfs/dbraw/zinc/30/46/64/394304664.db2.gz WRBFEYFTDGITPL-OAHLLOKOSA-N 1 1 297.406 2.678 20 30 CFEDMO CC#CCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000156649418 394336829 /nfs/dbraw/zinc/33/68/29/394336829.db2.gz ZXXPETLCGVVWPN-KGLIPLIRSA-N 1 1 280.412 2.635 20 30 CFEDMO C[C@@]1(F)CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000451117098 394359189 /nfs/dbraw/zinc/35/91/89/394359189.db2.gz UBRMRZDGLPYWML-MRXNPFEDSA-N 1 1 289.354 2.711 20 30 CFEDMO Cc1ccc(C#N)c(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000162019913 394367935 /nfs/dbraw/zinc/36/79/35/394367935.db2.gz BUQAAWQLOMXFIC-WBVHZDCISA-N 1 1 296.418 2.715 20 30 CFEDMO N#Cc1cc(F)c(N2CCC[N@H+](C3CC3)CC2)c(F)c1 ZINC000171831473 394372479 /nfs/dbraw/zinc/37/24/79/394372479.db2.gz WKNJCSFIIBLFGE-UHFFFAOYSA-N 1 1 277.318 2.511 20 30 CFEDMO CC(C)C[C@]1(C)CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000451293970 394374529 /nfs/dbraw/zinc/37/45/29/394374529.db2.gz XEATUBNKNLHLHE-IRXDYDNUSA-N 1 1 293.455 2.941 20 30 CFEDMO C=CCCCC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000175153859 394380356 /nfs/dbraw/zinc/38/03/56/394380356.db2.gz JJKPVIBPMUFJGV-MRXNPFEDSA-N 1 1 272.392 2.858 20 30 CFEDMO C=CCCCC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000175153859 394380357 /nfs/dbraw/zinc/38/03/57/394380357.db2.gz JJKPVIBPMUFJGV-MRXNPFEDSA-N 1 1 272.392 2.858 20 30 CFEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2C)c(C#N)c1C ZINC000177370593 394383961 /nfs/dbraw/zinc/38/39/61/394383961.db2.gz PCDGJTQMXQCLGC-KOLCDFICSA-N 1 1 291.420 2.905 20 30 CFEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2C)c(C#N)c1C ZINC000177370593 394383962 /nfs/dbraw/zinc/38/39/62/394383962.db2.gz PCDGJTQMXQCLGC-KOLCDFICSA-N 1 1 291.420 2.905 20 30 CFEDMO N#Cc1csc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000177697460 394384466 /nfs/dbraw/zinc/38/44/66/394384466.db2.gz HEPGUNWHTFWPSS-UHFFFAOYSA-N 1 1 271.320 2.920 20 30 CFEDMO Cc1cc(C)c(C#N)c(NC[C@@H]2CC[N@H+]2C2CCCC2)n1 ZINC000528206641 394402311 /nfs/dbraw/zinc/40/23/11/394402311.db2.gz CZNBJHXACRXGKX-HNNXBMFYSA-N 1 1 284.407 2.999 20 30 CFEDMO N#Cc1nc(NC[C@H]2CC[N@@H+]2C2CCCC2)sc1Cl ZINC000528207328 394402536 /nfs/dbraw/zinc/40/25/36/394402536.db2.gz CDHSHQIOAUAZQK-SNVBAGLBSA-N 1 1 296.827 2.519 20 30 CFEDMO N#Cc1nc(NC[C@H]2CC[N@H+]2C2CCCC2)sc1Cl ZINC000528207328 394402537 /nfs/dbraw/zinc/40/25/37/394402537.db2.gz CDHSHQIOAUAZQK-SNVBAGLBSA-N 1 1 296.827 2.519 20 30 CFEDMO Cc1nsc(NC[C@@H]2CC[N@H+]2C2CCCC2)c1C#N ZINC000528213515 394403456 /nfs/dbraw/zinc/40/34/56/394403456.db2.gz ZHDYKNUSQCUROX-LBPRGKRZSA-N 1 1 276.409 2.752 20 30 CFEDMO COCc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C#N ZINC000527762305 394404828 /nfs/dbraw/zinc/40/48/28/394404828.db2.gz JDGPWJOLVUURBC-SJORKVTESA-N 1 1 285.391 2.743 20 30 CFEDMO Cc1[nH+]ccn1CCCNc1ccc2cc(C#N)ccc2n1 ZINC000537878747 394593775 /nfs/dbraw/zinc/59/37/75/394593775.db2.gz PHWIEBLZCUAGAT-UHFFFAOYSA-N 1 1 291.358 2.536 20 30 CFEDMO C[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000537294773 394579313 /nfs/dbraw/zinc/57/93/13/394579313.db2.gz DZJMOLLTCDNWBO-KBPBESRZSA-N 1 1 257.381 2.551 20 30 CFEDMO C[C@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000537294773 394579315 /nfs/dbraw/zinc/57/93/15/394579315.db2.gz DZJMOLLTCDNWBO-KBPBESRZSA-N 1 1 257.381 2.551 20 30 CFEDMO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000535963234 394550962 /nfs/dbraw/zinc/55/09/62/394550962.db2.gz LKGGLYSOIGKMOW-OCCSQVGLSA-N 1 1 286.375 2.965 20 30 CFEDMO Cc1c(C#N)cccc1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000542762794 394711299 /nfs/dbraw/zinc/71/12/99/394711299.db2.gz HRDDZHHUXPFMDP-UHFFFAOYSA-N 1 1 294.358 2.581 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)N1CC[N@@H+](C)C(C)(C)C1 ZINC000556089490 394989990 /nfs/dbraw/zinc/98/99/90/394989990.db2.gz YKJUMOWOESKZLP-ZDUSSCGKSA-N 1 1 257.381 2.645 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000556089490 394989991 /nfs/dbraw/zinc/98/99/91/394989991.db2.gz YKJUMOWOESKZLP-ZDUSSCGKSA-N 1 1 257.381 2.645 20 30 CFEDMO CC[C@@H]1CCC[N@H+]1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000556086904 394990109 /nfs/dbraw/zinc/99/01/09/394990109.db2.gz OMNNCVVCXCMWCS-WBVHZDCISA-N 1 1 297.402 2.928 20 30 CFEDMO C=CC1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000648778501 395307123 /nfs/dbraw/zinc/30/71/23/395307123.db2.gz BWUKZGVIQXKCAG-CYBMUJFWSA-N 1 1 275.396 2.821 20 30 CFEDMO C=CCC1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC000648922934 395363194 /nfs/dbraw/zinc/36/31/94/395363194.db2.gz HHWXYUSLSDCQRD-ZIAGYGMSSA-N 1 1 264.413 2.579 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000649322596 395473622 /nfs/dbraw/zinc/47/36/22/395473622.db2.gz VPYLPYOEGZTAQA-KCXAZCMYSA-N 1 1 279.355 2.525 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+]1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1 ZINC000649322596 395473624 /nfs/dbraw/zinc/47/36/24/395473624.db2.gz VPYLPYOEGZTAQA-KCXAZCMYSA-N 1 1 279.355 2.525 20 30 CFEDMO C=CC[N@@H+](CCOC)Cc1cnn(-c2ccccc2C)c1 ZINC000648028360 395485051 /nfs/dbraw/zinc/48/50/51/395485051.db2.gz IGLDNOIPYNOMGG-UHFFFAOYSA-N 1 1 285.391 2.815 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1cnn(-c2ccccc2C)c1 ZINC000648028360 395485053 /nfs/dbraw/zinc/48/50/53/395485053.db2.gz IGLDNOIPYNOMGG-UHFFFAOYSA-N 1 1 285.391 2.815 20 30 CFEDMO CC[C@H]1COC(C)(C)C[N@@H+]1CC#Cc1ccccc1 ZINC000649717372 395557608 /nfs/dbraw/zinc/55/76/08/395557608.db2.gz DFOVBUVGGSHMCK-INIZCTEOSA-N 1 1 257.377 2.928 20 30 CFEDMO CC[C@H]1COC(C)(C)C[N@H+]1CC#Cc1ccccc1 ZINC000649717372 395557609 /nfs/dbraw/zinc/55/76/09/395557609.db2.gz DFOVBUVGGSHMCK-INIZCTEOSA-N 1 1 257.377 2.928 20 30 CFEDMO C=CCNC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000649795216 395571289 /nfs/dbraw/zinc/57/12/89/395571289.db2.gz GWZVFKWXEULOTP-HNNXBMFYSA-N 1 1 290.382 2.525 20 30 CFEDMO C=CCCCCC[N@@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000649913253 395590572 /nfs/dbraw/zinc/59/05/72/395590572.db2.gz DFHSVILGVDHEAZ-ZIAGYGMSSA-N 1 1 253.386 2.611 20 30 CFEDMO C[C@H]1COCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000334166832 413104633 /nfs/dbraw/zinc/10/46/33/413104633.db2.gz AFNIBCOSEJAWLF-CYBMUJFWSA-N 1 1 263.768 2.660 20 30 CFEDMO C[C@H]1C[N@@H+](CCCCC#N)CCN1Cc1ccccc1 ZINC000396369026 397555278 /nfs/dbraw/zinc/55/52/78/397555278.db2.gz BNUWUEZLIJDYCI-INIZCTEOSA-N 1 1 271.408 2.887 20 30 CFEDMO C[C@H]1CN(CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000396369026 397555283 /nfs/dbraw/zinc/55/52/83/397555283.db2.gz BNUWUEZLIJDYCI-INIZCTEOSA-N 1 1 271.408 2.887 20 30 CFEDMO C[C@H]1CN(CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000396369026 397555287 /nfs/dbraw/zinc/55/52/87/397555287.db2.gz BNUWUEZLIJDYCI-INIZCTEOSA-N 1 1 271.408 2.887 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000396380899 397555523 /nfs/dbraw/zinc/55/55/23/397555523.db2.gz LHLXXMYOSOJCMO-YJBOKZPZSA-N 1 1 299.418 2.659 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000396380899 397555527 /nfs/dbraw/zinc/55/55/27/397555527.db2.gz LHLXXMYOSOJCMO-YJBOKZPZSA-N 1 1 299.418 2.659 20 30 CFEDMO C=C[C@H]1CCCCN1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000426380495 397573566 /nfs/dbraw/zinc/57/35/66/397573566.db2.gz LLQDIZQPXHPUCP-GOEBONIOSA-N 1 1 291.439 2.753 20 30 CFEDMO C[C@@H](C#N)C[N@H+](CCC(=O)Nc1ccc(F)cc1)C1CC1 ZINC000338376098 397650637 /nfs/dbraw/zinc/65/06/37/397650637.db2.gz KIRCNVXMZACEGE-LBPRGKRZSA-N 1 1 289.354 2.778 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](CCC(=O)Nc1ccc(F)cc1)C1CC1 ZINC000338376098 397650639 /nfs/dbraw/zinc/65/06/39/397650639.db2.gz KIRCNVXMZACEGE-LBPRGKRZSA-N 1 1 289.354 2.778 20 30 CFEDMO Cc1cccc(NC(=O)C[N@@H+](C)CCCCC#N)c1C ZINC000198681112 397614142 /nfs/dbraw/zinc/61/41/42/397614142.db2.gz SJUPCJVJLACJAA-UHFFFAOYSA-N 1 1 273.380 2.868 20 30 CFEDMO N#CCCC[NH+]1CCN(C/C=C\c2ccccc2)CC1 ZINC000255215043 397628866 /nfs/dbraw/zinc/62/88/66/397628866.db2.gz JAJZGEREESWIGZ-TWGQIWQCSA-N 1 1 269.392 2.621 20 30 CFEDMO N#CCCCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255215043 397628867 /nfs/dbraw/zinc/62/88/67/397628867.db2.gz 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AYRPESACCKMLLF-YOEHRIQHSA-N 1 1 293.455 2.799 20 30 CFEDMO CN(C)c1[nH+]ccc2cc(NC(=O)CCCC#N)ccc21 ZINC000452360159 331063058 /nfs/dbraw/zinc/06/30/58/331063058.db2.gz WJSVFKZKSRWMQU-UHFFFAOYSA-N 1 1 282.347 2.933 20 30 CFEDMO C=CC(C)(C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000452773626 331075969 /nfs/dbraw/zinc/07/59/69/331075969.db2.gz JCHGTMBSLWSEGY-AWEZNQCLSA-N 1 1 260.381 2.618 20 30 CFEDMO C=CC(C)(C)CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000452777101 331076786 /nfs/dbraw/zinc/07/67/86/331076786.db2.gz UCHJFSCZUJHZQS-FRRDWIJNSA-N 1 1 252.402 2.576 20 30 CFEDMO CCC[C@]1(COC)CCC[N@H+]1CCCSCC#N ZINC000194945689 331081286 /nfs/dbraw/zinc/08/12/86/331081286.db2.gz KFGGTDHMUSMBQX-CQSZACIVSA-N 1 1 270.442 2.914 20 30 CFEDMO CCOC[C@H]1CCCC[N@H+]1CCCSCC#N ZINC000453415395 331130292 /nfs/dbraw/zinc/13/02/92/331130292.db2.gz NCHJYDUYLZZALA-CYBMUJFWSA-N 1 1 256.415 2.524 20 30 CFEDMO C=CCn1c(C(C)C)nnc1N1CCC[N@H+](C(C)C)CC1 ZINC000453442039 331132019 /nfs/dbraw/zinc/13/20/19/331132019.db2.gz LUKOYBAZDRDYEX-UHFFFAOYSA-N 1 1 291.443 2.508 20 30 CFEDMO C=CCn1c(C(C)C)nnc1N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000453451619 331132389 /nfs/dbraw/zinc/13/23/89/331132389.db2.gz SJKVGMNKCLVSFJ-CQSZACIVSA-N 1 1 291.443 2.506 20 30 CFEDMO C=C(C)CCNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000454321025 331144067 /nfs/dbraw/zinc/14/40/67/331144067.db2.gz JCAIOWQWEGYMMX-OAHLLOKOSA-N 1 1 281.444 2.764 20 30 CFEDMO C=CC(C)(C)CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000454522375 331147824 /nfs/dbraw/zinc/14/78/24/331147824.db2.gz ZDOFAWDTFDTLFU-KGLIPLIRSA-N 1 1 281.444 2.618 20 30 CFEDMO C=CCC1(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CCCC1 ZINC000454637285 331150250 /nfs/dbraw/zinc/15/02/50/331150250.db2.gz FYQZPAYHUKSUML-CABCVRRESA-N 1 1 293.455 2.905 20 30 CFEDMO C=C(CC)CNC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000454772125 331153136 /nfs/dbraw/zinc/15/31/36/331153136.db2.gz VPDNLBSUDKTXFM-HNNXBMFYSA-N 1 1 289.423 2.772 20 30 CFEDMO C=CC(C)(C)CNC(=O)N[C@@H](C)C[N@H+](CC)CCC ZINC000454986481 331158232 /nfs/dbraw/zinc/15/82/32/331158232.db2.gz SXRAIMXQWZDICA-ZDUSSCGKSA-N 1 1 269.433 2.618 20 30 CFEDMO C=CC(C)(C)CNC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000455361772 331167165 /nfs/dbraw/zinc/16/71/65/331167165.db2.gz FPXOUHJEFKAUET-CQSZACIVSA-N 1 1 290.411 2.578 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](CC)C[C@@H]1CC ZINC000456387000 331191946 /nfs/dbraw/zinc/19/19/46/331191946.db2.gz SDJWDOVEUIFHLH-KGLIPLIRSA-N 1 1 252.402 2.531 20 30 CFEDMO C=C(CC)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000456812647 331205108 /nfs/dbraw/zinc/20/51/08/331205108.db2.gz NYHLISIWGWTFSF-INIZCTEOSA-N 1 1 290.382 2.873 20 30 CFEDMO C=C(CC)CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000456812647 331205109 /nfs/dbraw/zinc/20/51/09/331205109.db2.gz NYHLISIWGWTFSF-INIZCTEOSA-N 1 1 290.382 2.873 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000457018678 331210372 /nfs/dbraw/zinc/21/03/72/331210372.db2.gz KRMZNZXQLUQGSJ-GDBMZVCRSA-N 1 1 272.392 2.762 20 30 CFEDMO C=CCC1(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CCC1 ZINC000457090886 331212099 /nfs/dbraw/zinc/21/20/99/331212099.db2.gz MGVNVDGQTUQCKC-CQSZACIVSA-N 1 1 264.413 2.674 20 30 CFEDMO C[C@@H](C(=O)NCC(C)(C)CC#N)[N@@H+](C)Cc1ccccc1 ZINC000457994404 331239846 /nfs/dbraw/zinc/23/98/46/331239846.db2.gz OEGISXBWFPSSEW-AWEZNQCLSA-N 1 1 287.407 2.563 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458629145 331254702 /nfs/dbraw/zinc/25/47/02/331254702.db2.gz YJBYXBBSKJGPRM-GJZGRUSLSA-N 1 1 281.444 2.762 20 30 CFEDMO C=C(CC)CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458634949 331254775 /nfs/dbraw/zinc/25/47/75/331254775.db2.gz QMLLHCHCYOPEDG-CABCVRRESA-N 1 1 293.455 2.905 20 30 CFEDMO C=CCC(C)(C)CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000458812847 331261011 /nfs/dbraw/zinc/26/10/11/331261011.db2.gz RKOONXFJLLVDNT-CABCVRRESA-N 1 1 293.455 2.714 20 30 CFEDMO C=C(CC)CNC(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000459072830 331269152 /nfs/dbraw/zinc/26/91/52/331269152.db2.gz IMJJDRYGEIXWDQ-CQSZACIVSA-N 1 1 290.411 2.758 20 30 CFEDMO C[C@@H](C#N)C[N@H+](CCOCC1CCCC1)C1CC1 ZINC000459374821 331278929 /nfs/dbraw/zinc/27/89/29/331278929.db2.gz MILIVWHHANURLG-ZDUSSCGKSA-N 1 1 250.386 2.817 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](CCOCC1CCCC1)C1CC1 ZINC000459374821 331278930 /nfs/dbraw/zinc/27/89/30/331278930.db2.gz MILIVWHHANURLG-ZDUSSCGKSA-N 1 1 250.386 2.817 20 30 CFEDMO CC(C)[C@H](NC(=O)C[NH2+][C@H]1CCC[C@H]1C#N)c1ccccc1 ZINC000459461089 331282596 /nfs/dbraw/zinc/28/25/96/331282596.db2.gz KBSBZPCMAXQNFT-BQFCYCMXSA-N 1 1 299.418 2.782 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1OC ZINC000459743416 331297686 /nfs/dbraw/zinc/29/76/86/331297686.db2.gz CIGMNBDZWAGOHW-KBPBESRZSA-N 1 1 291.416 2.950 20 30 CFEDMO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1ccn(C)n1 ZINC000459759752 331298837 /nfs/dbraw/zinc/29/88/37/331298837.db2.gz RFIREWKTQDSGDH-AWEZNQCLSA-N 1 1 298.390 2.953 20 30 CFEDMO O[C@@H]1CC[N@@H+](CC#Cc2ccccc2)C[C@H]1C1CCCC1 ZINC000459792950 331301251 /nfs/dbraw/zinc/30/12/51/331301251.db2.gz KJPNJOYOFSYNRJ-RBUKOAKNSA-N 1 1 283.415 2.911 20 30 CFEDMO N#C[C@H]1CC[C@H]([N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)C1 ZINC000459793570 331301358 /nfs/dbraw/zinc/30/13/58/331301358.db2.gz LBYDZNHGLFSXFQ-QCEMKRCNSA-N 1 1 262.397 2.552 20 30 CFEDMO C[C@@H](C[N@@H+](C)CCC(C)(C)C#N)C(=O)OC(C)(C)C ZINC000459836786 331302464 /nfs/dbraw/zinc/30/24/64/331302464.db2.gz ZSHFBNBLBXUJHL-LBPRGKRZSA-N 1 1 268.401 2.836 20 30 CFEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000466050198 331388958 /nfs/dbraw/zinc/38/89/58/331388958.db2.gz NEQHFLBQEOZSHW-LSDHHAIUSA-N 1 1 281.444 2.857 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000466376422 331393882 /nfs/dbraw/zinc/39/38/82/331393882.db2.gz HYSVLYMIXCSCJQ-HZPDHXFCSA-N 1 1 293.455 2.714 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000466400325 331394959 /nfs/dbraw/zinc/39/49/59/331394959.db2.gz CLMSXYQYVHDMCG-HUUCEWRRSA-N 1 1 281.444 2.857 20 30 CFEDMO C=CCCC[C@H](C)[N@@H+]1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000488749946 332024082 /nfs/dbraw/zinc/02/40/82/332024082.db2.gz SNLXSVZLQBKXKD-HOTGVXAUSA-N 1 1 293.455 2.809 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccccc1 ZINC000489423300 332051202 /nfs/dbraw/zinc/05/12/02/332051202.db2.gz GUELSNFZMPHSFW-MRXNPFEDSA-N 1 1 272.392 2.686 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1ccccc1 ZINC000489423299 332051288 /nfs/dbraw/zinc/05/12/88/332051288.db2.gz GUELSNFZMPHSFW-INIZCTEOSA-N 1 1 272.392 2.686 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000489432563 332051799 /nfs/dbraw/zinc/05/17/99/332051799.db2.gz GHJPMSLYTSWZSB-RBSFLKMASA-N 1 1 264.413 2.531 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(-c2cnn(C)c2C)no1 ZINC000489443880 332052972 /nfs/dbraw/zinc/05/29/72/332052972.db2.gz YCXPMSRLUKDDRN-ZDUSSCGKSA-N 1 1 286.379 2.924 20 30 CFEDMO COCC[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCO[C@H]1C ZINC000489468021 332054275 /nfs/dbraw/zinc/05/42/75/332054275.db2.gz GTMFINNMOKXSAR-LSDHHAIUSA-N 1 1 282.428 2.832 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1CCc1nc2ccccc2c(=O)[nH]1 ZINC000489468755 332054506 /nfs/dbraw/zinc/05/45/06/332054506.db2.gz BYRRPAGOFZYJGL-CYBMUJFWSA-N 1 1 283.375 2.918 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N(C)[C@@H](C)CC(C)C ZINC000489470408 332054566 /nfs/dbraw/zinc/05/45/66/332054566.db2.gz CIAFCRMXUWAGBV-LSDHHAIUSA-N 1 1 266.429 2.920 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000489475461 332054933 /nfs/dbraw/zinc/05/49/33/332054933.db2.gz GVGBVKMNFWXLJF-HNNXBMFYSA-N 1 1 289.423 2.712 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000489475461 332054934 /nfs/dbraw/zinc/05/49/34/332054934.db2.gz GVGBVKMNFWXLJF-HNNXBMFYSA-N 1 1 289.423 2.712 20 30 CFEDMO C=CC[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000490254037 332085605 /nfs/dbraw/zinc/08/56/05/332085605.db2.gz SQKHPONNQRCRIA-HYVNUMGLSA-N 1 1 286.419 2.945 20 30 CFEDMO C=CC[C@H](CC)NC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000490301891 332086177 /nfs/dbraw/zinc/08/61/77/332086177.db2.gz RCDCVPWBWPNPPM-FXUDXRNXSA-N 1 1 293.455 2.713 20 30 CFEDMO C#CC[N@@H+](Cc1cnc(C)nc1)[C@@H]1CCc2ccccc21 ZINC000490840572 332119665 /nfs/dbraw/zinc/11/96/65/332119665.db2.gz OWMJDMILYSMFSM-GOSISDBHSA-N 1 1 277.371 2.908 20 30 CFEDMO C#CC[N@H+](Cc1cnc(C)nc1)[C@@H]1CCc2ccccc21 ZINC000490840572 332119667 /nfs/dbraw/zinc/11/96/67/332119667.db2.gz OWMJDMILYSMFSM-GOSISDBHSA-N 1 1 277.371 2.908 20 30 CFEDMO C#CCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000490932772 332130406 /nfs/dbraw/zinc/13/04/06/332130406.db2.gz AIYUBENDQYMTMF-UHFFFAOYSA-N 1 1 292.382 2.682 20 30 CFEDMO C=CCN(C)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000490945812 332131471 /nfs/dbraw/zinc/13/14/71/332131471.db2.gz YDWRUIQELRHOIR-CYBMUJFWSA-N 1 1 266.772 2.587 20 30 CFEDMO C#CC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000490983658 332135508 /nfs/dbraw/zinc/13/55/08/332135508.db2.gz ATYZULSFQHZFIK-UHFFFAOYSA-N 1 1 273.376 2.570 20 30 CFEDMO C#CC[N@@H+](CCOCCC#N)[C@@H]1CCc2ccccc21 ZINC000491066956 332144535 /nfs/dbraw/zinc/14/45/35/332144535.db2.gz FPOYWMLAKNKJSD-QGZVFWFLSA-N 1 1 268.360 2.539 20 30 CFEDMO C#C[C@H]([NH2+][C@H]1CCOC1)c1ccc(Cl)cc1F ZINC000491349011 332194441 /nfs/dbraw/zinc/19/44/41/332194441.db2.gz GEZIPYPXUQRQOK-GWCFXTLKSA-N 1 1 253.704 2.532 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000491425612 332209013 /nfs/dbraw/zinc/20/90/13/332209013.db2.gz BBULAERKKVERLL-BXUZGUMPSA-N 1 1 285.309 2.562 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000491569598 332240388 /nfs/dbraw/zinc/24/03/88/332240388.db2.gz XCSZGFNRZGNGDO-NSHDSACASA-N 1 1 258.296 2.934 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000491569598 332240389 /nfs/dbraw/zinc/24/03/89/332240389.db2.gz XCSZGFNRZGNGDO-NSHDSACASA-N 1 1 258.296 2.934 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=S)Nc1cccc(Cl)c1 ZINC000491633924 332255427 /nfs/dbraw/zinc/25/54/27/332255427.db2.gz QEHYTVSLISHYOQ-UHFFFAOYSA-N 1 1 295.839 2.582 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491640440 332260377 /nfs/dbraw/zinc/26/03/77/332260377.db2.gz YHWYFZONGGTQQD-AWEZNQCLSA-N 1 1 294.439 2.977 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1ccc2c(c1)nnn2C)c1ccc(F)cc1 ZINC000491640835 332260521 /nfs/dbraw/zinc/26/05/21/332260521.db2.gz ZAQZQNCUFAULFS-OAHLLOKOSA-N 1 1 294.333 2.572 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000491669015 332276597 /nfs/dbraw/zinc/27/65/97/332276597.db2.gz WXXCCDDPOSCQHK-ZDUSSCGKSA-N 1 1 281.359 2.606 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1cnc(-c2ccccc2OC)nc1 ZINC000491669015 332276598 /nfs/dbraw/zinc/27/65/98/332276598.db2.gz WXXCCDDPOSCQHK-ZDUSSCGKSA-N 1 1 281.359 2.606 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000491690725 332287603 /nfs/dbraw/zinc/28/76/03/332287603.db2.gz NAULWHDWCAVEOZ-UHFFFAOYSA-N 1 1 258.365 2.586 20 30 CFEDMO 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C[C@H](NCC1([NH+](C)C)CCC1)c1cccc(C#N)c1 ZINC000097928796 533833935 /nfs/dbraw/zinc/83/39/35/533833935.db2.gz LEFMQHDQXLTRKG-ZDUSSCGKSA-N 1 1 257.381 2.693 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001085773429 782157619 /nfs/dbraw/zinc/15/76/19/782157619.db2.gz COUPFTPRTCFISW-GJZGRUSLSA-N 1 1 278.440 2.922 20 30 CFEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1ccn(C)n1 ZINC000414173948 533974728 /nfs/dbraw/zinc/97/47/28/533974728.db2.gz HBXYRDGENBMGMJ-QWRGUYRKSA-N 1 1 272.327 2.843 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCC(=O)N1CCC[C@@H]1C ZINC000425531523 534078669 /nfs/dbraw/zinc/07/86/69/534078669.db2.gz HPUWBSOHMOKCMO-GJZGRUSLSA-N 1 1 299.418 2.952 20 30 CFEDMO COC(=O)c1ccc(C[N@@H+](C)[C@@H](C)c2cccc(C#N)c2)[nH]1 ZINC000425364137 534098951 /nfs/dbraw/zinc/09/89/51/534098951.db2.gz FNESGKBUSCKVJO-LBPRGKRZSA-N 1 1 297.358 2.866 20 30 CFEDMO C=CCC[C@H](C)[NH2+]Cc1ncn(Cc2cccc(F)c2)n1 ZINC000437082854 517328259 /nfs/dbraw/zinc/32/82/59/517328259.db2.gz 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CC[C@@H](C)C[N@@H+](CC)CC(=O)NCc1cccc(C#N)c1 ZINC000361352524 521984407 /nfs/dbraw/zinc/98/44/07/521984407.db2.gz QASYWYOQHSXPHQ-CQSZACIVSA-N 1 1 287.407 2.542 20 30 CFEDMO COc1cc(C#N)ccc1OCC[N@H+]1CCC(C)(C)C1 ZINC000076014280 522041525 /nfs/dbraw/zinc/04/15/25/522041525.db2.gz BECANLCKEIROGJ-UHFFFAOYSA-N 1 1 274.364 2.678 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000221573438 522060985 /nfs/dbraw/zinc/06/09/85/522060985.db2.gz CHTAGIPVKRHRBH-LLVKDONJSA-N 1 1 276.340 2.609 20 30 CFEDMO C[N@@H+](CCC(=O)Nc1sccc1C#N)CC(C)(C)C ZINC000339258969 522682907 /nfs/dbraw/zinc/68/29/07/522682907.db2.gz XNUSLXAMDYVDHZ-UHFFFAOYSA-N 1 1 279.409 2.926 20 30 CFEDMO COC(=O)C(C)(C)CC[N@@H+](C)Cc1cc(C#N)ccc1F ZINC000338546817 522750151 /nfs/dbraw/zinc/75/01/51/522750151.db2.gz PXVYAGNOQYAPMX-UHFFFAOYSA-N 1 1 292.354 2.718 20 30 CFEDMO CCc1nnc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C#N)c1CC ZINC000317545503 522780695 /nfs/dbraw/zinc/78/06/95/522780695.db2.gz MBVYOUUIYORKRG-QWHCGFSZSA-N 1 1 299.422 2.512 20 30 CFEDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1nc2c(cc1C#N)CCC2 ZINC000361298802 522931254 /nfs/dbraw/zinc/93/12/54/522931254.db2.gz ZDSKIPODZXYXSZ-INIZCTEOSA-N 1 1 298.434 2.753 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000361468181 523213755 /nfs/dbraw/zinc/21/37/55/523213755.db2.gz ILVGYXWHGHPTGS-KRWDZBQOSA-N 1 1 293.370 2.607 20 30 CFEDMO COCC[N@@H+](CC=C(C)C)Cc1ccc(C#N)cc1 ZINC000063754061 523689168 /nfs/dbraw/zinc/68/91/68/523689168.db2.gz BWWIIBPUJYPSTJ-UHFFFAOYSA-N 1 1 258.365 2.973 20 30 CFEDMO COCC[N@H+](Cc1cc(C#N)n(C)c1)C[C@@H]1CC=CCC1 ZINC000361676226 523740827 /nfs/dbraw/zinc/74/08/27/523740827.db2.gz UVCDFQZTLRCBBB-OAHLLOKOSA-N 1 1 287.407 2.701 20 30 CFEDMO CO[C@@]1(C)CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000230264947 523808465 /nfs/dbraw/zinc/80/84/65/523808465.db2.gz UTSGLGVBONVUIU-HNNXBMFYSA-N 1 1 262.328 2.698 20 30 CFEDMO C[N@H+]1CCC[C@]2(CCN(Cc3ccc(C#N)c(F)c3)C2)C1 ZINC000336379621 523860277 /nfs/dbraw/zinc/86/02/77/523860277.db2.gz 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C=CC[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccncc1 ZINC000754796191 574120980 /nfs/dbraw/zinc/12/09/80/574120980.db2.gz SVCKKLYDDYRYFV-BBWFWOEESA-N 1 1 271.408 2.915 20 30 CFEDMO CCCCCCCCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000754866989 574125824 /nfs/dbraw/zinc/12/58/24/574125824.db2.gz UIEZENDAIUBSDK-CQSZACIVSA-N 1 1 269.433 2.740 20 30 CFEDMO CCCCCCC[C@@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC000746153187 574137530 /nfs/dbraw/zinc/13/75/30/574137530.db2.gz PPFCWLGWIYPVAM-CVEARBPZSA-N 1 1 298.471 2.820 20 30 CFEDMO CCCCCCC[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC000746153187 574137532 /nfs/dbraw/zinc/13/75/32/574137532.db2.gz PPFCWLGWIYPVAM-CVEARBPZSA-N 1 1 298.471 2.820 20 30 CFEDMO C#CCNC(=O)C[N@@H+](CCCC)[C@H](C)c1ccc(C)o1 ZINC000746166418 574138258 /nfs/dbraw/zinc/13/82/58/574138258.db2.gz WZJBHEIFYLIRMY-CQSZACIVSA-N 1 1 276.380 2.501 20 30 CFEDMO C#CCNC(=O)C[N@H+](CCCC)[C@H](C)c1ccc(C)o1 ZINC000746166418 574138260 /nfs/dbraw/zinc/13/82/60/574138260.db2.gz WZJBHEIFYLIRMY-CQSZACIVSA-N 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574221828 /nfs/dbraw/zinc/22/18/28/574221828.db2.gz UNOHVZLWGGTYCZ-KRWDZBQOSA-N 1 1 286.419 2.519 20 30 CFEDMO C#CCOc1ccc(CNC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000733326285 574221829 /nfs/dbraw/zinc/22/18/29/574221829.db2.gz UNOHVZLWGGTYCZ-KRWDZBQOSA-N 1 1 286.419 2.519 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](C)SCCCC ZINC000729811979 574233242 /nfs/dbraw/zinc/23/32/42/574233242.db2.gz IEYHDDDAOPZMQZ-KBPBESRZSA-N 1 1 283.437 2.549 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](C)SCCCC ZINC000729811979 574233246 /nfs/dbraw/zinc/23/32/46/574233246.db2.gz IEYHDDDAOPZMQZ-KBPBESRZSA-N 1 1 283.437 2.549 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](C)SCCCC ZINC000729811981 574233296 /nfs/dbraw/zinc/23/32/96/574233296.db2.gz IEYHDDDAOPZMQZ-UONOGXRCSA-N 1 1 283.437 2.549 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](C)SCCCC ZINC000729811981 574233297 /nfs/dbraw/zinc/23/32/97/574233297.db2.gz IEYHDDDAOPZMQZ-UONOGXRCSA-N 1 1 283.437 2.549 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)Cc1cc2ccccc2o1 ZINC000756543374 574244758 /nfs/dbraw/zinc/24/47/58/574244758.db2.gz MMJIPDXAJUXSKG-OAHLLOKOSA-N 1 1 297.354 2.616 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccccc1Cl ZINC000756543978 574245786 /nfs/dbraw/zinc/24/57/86/574245786.db2.gz SSPFVBZCIAVZTI-GFCCVEGCSA-N 1 1 277.751 2.594 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H]1CCCc2ccccc21 ZINC000756544892 574245853 /nfs/dbraw/zinc/24/58/53/574245853.db2.gz SFFZTPDMXCNZGW-WMZOPIPTSA-N 1 1 297.398 2.747 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H](C)c1cccc(F)c1 ZINC000756556782 574247006 /nfs/dbraw/zinc/24/70/06/574247006.db2.gz XJVZQBKJTFHDOF-CZUORRHYSA-N 1 1 289.350 2.570 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@@H](C)c1cccc(F)c1 ZINC000756556772 574247337 /nfs/dbraw/zinc/24/73/37/574247337.db2.gz XJVZQBKJTFHDOF-BBRMVZONSA-N 1 1 289.350 2.570 20 30 CFEDMO CCCCCCCC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000740876912 574272405 /nfs/dbraw/zinc/27/24/05/574272405.db2.gz OHRMDJJFGZGJPO-KGLIPLIRSA-N 1 1 254.418 2.933 20 30 CFEDMO C#CC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C1CCCC1 ZINC000756911564 574272538 /nfs/dbraw/zinc/27/25/38/574272538.db2.gz VKBLOMYZTOOVJB-YQQAZPJKSA-N 1 1 290.451 2.805 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000748982438 574275487 /nfs/dbraw/zinc/27/54/87/574275487.db2.gz IOXMZBWTSFECAV-LBPRGKRZSA-N 1 1 272.820 2.612 20 30 CFEDMO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000734157386 574277561 /nfs/dbraw/zinc/27/75/61/574277561.db2.gz BEOMHJQWQRGEQM-QWRGUYRKSA-N 1 1 289.404 2.638 20 30 CFEDMO C#CC[N@@H+](CC)CCOc1cccc(Br)c1 ZINC000749155512 574282345 /nfs/dbraw/zinc/28/23/45/574282345.db2.gz UFZWIKRZCVXJIK-UHFFFAOYSA-N 1 1 282.181 2.783 20 30 CFEDMO C#CC[N@@H+](CC)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000749155685 574282744 /nfs/dbraw/zinc/28/27/44/574282744.db2.gz YAPNXNNKPHLBEJ-HNNXBMFYSA-N 1 1 292.810 2.862 20 30 CFEDMO C#CC[N@H+](CC)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000749155685 574282745 /nfs/dbraw/zinc/28/27/45/574282745.db2.gz YAPNXNNKPHLBEJ-HNNXBMFYSA-N 1 1 292.810 2.862 20 30 CFEDMO CCc1cc(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)on1 ZINC000741257256 574284815 /nfs/dbraw/zinc/28/48/15/574284815.db2.gz DQUWEJSLCXFVGH-UHFFFAOYSA-N 1 1 298.390 2.877 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cccc(C)c1C ZINC000734469852 574289342 /nfs/dbraw/zinc/28/93/42/574289342.db2.gz RQBGJPBGPVIQRC-WBVHZDCISA-N 1 1 284.403 2.578 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cccc(C)c1C ZINC000734469852 574289343 /nfs/dbraw/zinc/28/93/43/574289343.db2.gz RQBGJPBGPVIQRC-WBVHZDCISA-N 1 1 284.403 2.578 20 30 CFEDMO C[C@@H]1CC(N=Nc2c(F)c(F)nc(F)c2F)CC[N@H+]1C ZINC000741455368 574290778 /nfs/dbraw/zinc/29/07/78/574290778.db2.gz BRBGGJSRXWZKKQ-ZCFIWIBFSA-N 1 1 290.264 2.520 20 30 CFEDMO C[C@H]1CC(=NNCCCc2ccccc2)CC[N@H+]1C ZINC000741464564 574291853 /nfs/dbraw/zinc/29/18/53/574291853.db2.gz QXZZHPPQFFJARG-AWEZNQCLSA-N 1 1 259.397 2.679 20 30 CFEDMO CCOc1cccc(/C=N\[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1O ZINC000741465783 574291984 /nfs/dbraw/zinc/29/19/84/574291984.db2.gz YKFHGFRQRCGZEX-XPOBMWCSSA-N 1 1 276.380 2.693 20 30 CFEDMO CCOc1ccc(/C=N/[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(O)c1 ZINC000741463440 574291988 /nfs/dbraw/zinc/29/19/88/574291988.db2.gz FQWIDYGFTUPFGL-XWDBZTJWSA-N 1 1 276.380 2.693 20 30 CFEDMO CC(C)CC(N)=[NH+]OCc1nnc(-c2cccc(C#N)c2)o1 ZINC000742357231 574323669 /nfs/dbraw/zinc/32/36/69/574323669.db2.gz QKUSWZASZBJCRN-UHFFFAOYSA-N 1 1 299.334 2.653 20 30 CFEDMO CC(C)n1cc(C[NH2+]Cc2cc(C#N)ccc2F)cn1 ZINC000742381784 574326663 /nfs/dbraw/zinc/32/66/63/574326663.db2.gz JHJLGWUYBATLKY-UHFFFAOYSA-N 1 1 272.327 2.765 20 30 CFEDMO N#Cc1ccc(F)c(C[NH2+]Cc2cnn3ccccc23)c1 ZINC000742381786 574326705 /nfs/dbraw/zinc/32/67/05/574326705.db2.gz JIRMKPLOTRMDLO-UHFFFAOYSA-N 1 1 280.306 2.635 20 30 CFEDMO C#CCNC(=O)C[N@@H+]1CCCCC[C@@H]1c1cccc(C)c1 ZINC000735495274 574327535 /nfs/dbraw/zinc/32/75/35/574327535.db2.gz SJSHDFLIGJRCNU-QGZVFWFLSA-N 1 1 284.403 2.662 20 30 CFEDMO C[C@H]1CCC[N@H+]1CCNc1ncc(C#N)cc1Cl ZINC000742427995 574329755 /nfs/dbraw/zinc/32/97/55/574329755.db2.gz XIDFQTJGTWWYAI-JTQLQIEISA-N 1 1 264.760 2.503 20 30 CFEDMO C=C(Cl)CN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000750185983 574330176 /nfs/dbraw/zinc/33/01/76/574330176.db2.gz ZQIJZXFMBVXCEA-HNNXBMFYSA-N 1 1 264.800 2.945 20 30 CFEDMO C=CCn1nnn(C[N@H+]2CCC[C@H](C)[C@H]2CCC)c1=S ZINC000743378887 574361834 /nfs/dbraw/zinc/36/18/34/574361834.db2.gz BRXAANWHBNOFKO-QWHCGFSZSA-N 1 1 295.456 2.853 20 30 CFEDMO C=CCn1nnn(C[N@@H+]2CCC[C@H](C)[C@H]2CCC)c1=S ZINC000743378887 574361836 /nfs/dbraw/zinc/36/18/36/574361836.db2.gz BRXAANWHBNOFKO-QWHCGFSZSA-N 1 1 295.456 2.853 20 30 CFEDMO COc1ccc(N[NH+]=Cc2ccc(N(C)CCO)cc2)cc1 ZINC000750946368 574365187 /nfs/dbraw/zinc/36/51/87/574365187.db2.gz PPBPFYKZUTZIHJ-UHFFFAOYSA-N 1 1 299.374 2.570 20 30 CFEDMO C#CC[N@H+](CC#CC)CCOc1ccc(Cl)cc1 ZINC000743852459 574373945 /nfs/dbraw/zinc/37/39/45/574373945.db2.gz 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CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCCC[C@H]2CO)cc1 ZINC000895151957 618397966 /nfs/dbraw/zinc/39/79/66/618397966.db2.gz PFKQUVNXDKZUKY-HOCLYGCPSA-N 1 1 288.391 2.714 20 30 CFEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001024599838 618407954 /nfs/dbraw/zinc/40/79/54/618407954.db2.gz QQYAAPVJTGOMIE-RBSFLKMASA-N 1 1 264.413 2.579 20 30 CFEDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccc(C#N)cc1 ZINC000067248366 618418452 /nfs/dbraw/zinc/41/84/52/618418452.db2.gz JTVHFDXRYWGFOW-HUUCEWRRSA-N 1 1 271.408 2.768 20 30 CFEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NCc1ccc(C#N)cc1 ZINC000067248366 618418454 /nfs/dbraw/zinc/41/84/54/618418454.db2.gz JTVHFDXRYWGFOW-HUUCEWRRSA-N 1 1 271.408 2.768 20 30 CFEDMO CC#CC[N@@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000749803041 618418923 /nfs/dbraw/zinc/41/89/23/618418923.db2.gz YLVRAGTYYNZGFV-UHFFFAOYSA-N 1 1 280.412 2.777 20 30 CFEDMO C=C1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC#CC)CC1 ZINC001024631296 618427314 /nfs/dbraw/zinc/42/73/14/618427314.db2.gz 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618459349 /nfs/dbraw/zinc/45/93/49/618459349.db2.gz SPYNWOXDBYHZNE-CVEARBPZSA-N 1 1 288.435 2.561 20 30 CFEDMO C[C@@H]([NH3+])[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000925681656 618463436 /nfs/dbraw/zinc/46/34/36/618463436.db2.gz PQWVQYWBTZBCPZ-BFJAYTPKSA-N 1 1 257.381 2.747 20 30 CFEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001024768508 618466058 /nfs/dbraw/zinc/46/60/58/618466058.db2.gz SASPGRLAEQRDNZ-CYBMUJFWSA-N 1 1 290.794 2.558 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1Cl ZINC001024768508 618466062 /nfs/dbraw/zinc/46/60/62/618466062.db2.gz SASPGRLAEQRDNZ-CYBMUJFWSA-N 1 1 290.794 2.558 20 30 CFEDMO CC(C)CC[C@H]1CCCC1=NN1CC[NH+](C)CC1 ZINC000727252199 618469005 /nfs/dbraw/zinc/46/90/05/618469005.db2.gz SYNLVCSJTKPOMZ-CQSZACIVSA-N 1 1 251.418 2.826 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(F)cc1F ZINC001024786684 618469637 /nfs/dbraw/zinc/46/96/37/618469637.db2.gz NQFVQFAGDRLTEQ-ZDUSSCGKSA-N 1 1 294.345 2.735 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccn1CC ZINC001024800977 618473558 /nfs/dbraw/zinc/47/35/58/618473558.db2.gz KGFLOFBZWQFJTE-HNNXBMFYSA-N 1 1 289.423 2.668 20 30 CFEDMO Cc1noc2ncc(C[N@@H+]3CCC[C@H](CC#N)C3)cc12 ZINC000895228472 618484179 /nfs/dbraw/zinc/48/41/79/618484179.db2.gz NDYVSCNAICYLFT-GFCCVEGCSA-N 1 1 270.336 2.657 20 30 CFEDMO Cc1noc2ncc(C[N@H+]3CCC[C@H](CC#N)C3)cc12 ZINC000895228472 618484184 /nfs/dbraw/zinc/48/41/84/618484184.db2.gz NDYVSCNAICYLFT-GFCCVEGCSA-N 1 1 270.336 2.657 20 30 CFEDMO C#CC1(O)CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000895378478 618557822 /nfs/dbraw/zinc/55/78/22/618557822.db2.gz FHRDOLWZOHPYPP-UHFFFAOYSA-N 1 1 299.292 2.545 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2c3c(nn2C)CCSC3)C1 ZINC000895390499 618564090 /nfs/dbraw/zinc/56/40/90/618564090.db2.gz VHCZVKLNAMGHKK-LBPRGKRZSA-N 1 1 277.437 2.607 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000310708010 618608255 /nfs/dbraw/zinc/60/82/55/618608255.db2.gz JCPKYEHUBXNARY-RYUDHWBXSA-N 1 1 250.317 2.747 20 30 CFEDMO CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(C#N)c1[O-] ZINC000924568816 618613096 /nfs/dbraw/zinc/61/30/96/618613096.db2.gz DAYKFELWMCZZLF-MRXNPFEDSA-N 1 1 287.407 2.789 20 30 CFEDMO C=CCCCN(CC)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000892556842 618632186 /nfs/dbraw/zinc/63/21/86/618632186.db2.gz SMQIHXARWCRMGO-CQSZACIVSA-N 1 1 292.427 2.825 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@H](C)[C@@H](C)O1 ZINC000782624345 618649265 /nfs/dbraw/zinc/64/92/65/618649265.db2.gz UYNVAYYONUACEV-MGPQQGTHSA-N 1 1 274.364 2.587 20 30 CFEDMO CCOc1ccc(C[NH2+]Cc2ccc(C#N)cc2)o1 ZINC000892602909 618650035 /nfs/dbraw/zinc/65/00/35/618650035.db2.gz HGILCUDTHHLDPN-UHFFFAOYSA-N 1 1 256.305 2.840 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001007389700 618675552 /nfs/dbraw/zinc/67/55/52/618675552.db2.gz BEAKABNDJVQPIV-DLBZAZTESA-N 1 1 288.435 2.727 20 30 CFEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001007389700 618675556 /nfs/dbraw/zinc/67/55/56/618675556.db2.gz BEAKABNDJVQPIV-DLBZAZTESA-N 1 1 288.435 2.727 20 30 CFEDMO Cc1cc(F)c(C#N)c(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000892841585 618756076 /nfs/dbraw/zinc/75/60/76/618756076.db2.gz BSHVQIBJSHDJTN-WFASDCNBSA-N 1 1 275.371 2.782 20 30 CFEDMO C=CC[NH+]1CCC(NCc2c(C)nn(C(C)C)c2C)CC1 ZINC000892880858 618762502 /nfs/dbraw/zinc/76/25/02/618762502.db2.gz MJTAYWMLAGWMMG-UHFFFAOYSA-N 1 1 290.455 2.821 20 30 CFEDMO CN(CC1CCCCC1)C(=O)CO[NH+]=C(N)C1CCCC1 ZINC000174113604 618772363 /nfs/dbraw/zinc/77/23/63/618772363.db2.gz XSSOGMPBVHIRHG-UHFFFAOYSA-N 1 1 295.427 2.504 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000162297279 618837590 /nfs/dbraw/zinc/83/75/90/618837590.db2.gz CQGIKBCDKRLZGH-LBPRGKRZSA-N 1 1 259.777 2.794 20 30 CFEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2cccnc2C2CC2)C1 ZINC001007790705 618858483 /nfs/dbraw/zinc/85/84/83/618858483.db2.gz IANVJBJDKRHTHR-OAHLLOKOSA-N 1 1 299.418 2.729 20 30 CFEDMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000930607192 618888272 /nfs/dbraw/zinc/88/82/72/618888272.db2.gz LHRJLNAPUSCZEP-ZFWWWQNUSA-N 1 1 278.783 2.804 20 30 CFEDMO C#CCOc1ccc(CNC[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000236682091 618911383 /nfs/dbraw/zinc/91/13/83/618911383.db2.gz OPFGRZVRWUSTON-KRWDZBQOSA-N 1 1 288.435 2.765 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001008082977 618913123 /nfs/dbraw/zinc/91/31/23/618913123.db2.gz MGJSKVLUUXRBRC-HNNXBMFYSA-N 1 1 278.440 2.969 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2cccs2)C1 ZINC001006624237 618917407 /nfs/dbraw/zinc/91/74/07/618917407.db2.gz KBSTZFKDQWGMSV-CYBMUJFWSA-N 1 1 278.421 2.909 20 30 CFEDMO Cc1nc2c(c(=O)[nH]1)C[N@H+](CCCCC(C)(C)C#N)C2 ZINC000931314129 618940472 /nfs/dbraw/zinc/94/04/72/618940472.db2.gz VRRZDXVGZZDOKM-UHFFFAOYSA-N 1 1 274.368 2.526 20 30 CFEDMO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CCCCC(C)(C)C#N)C2 ZINC000931314129 618940473 /nfs/dbraw/zinc/94/04/73/618940473.db2.gz VRRZDXVGZZDOKM-UHFFFAOYSA-N 1 1 274.368 2.526 20 30 CFEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001008665249 618960023 /nfs/dbraw/zinc/96/00/23/618960023.db2.gz LFKHTEQVDKIEEP-ZWKOTPCHSA-N 1 1 298.430 2.558 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)C2CCCC2)C1 ZINC001009156262 618981693 /nfs/dbraw/zinc/98/16/93/618981693.db2.gz VXXDKECZWAZHLP-UKRRQHHQSA-N 1 1 264.413 2.579 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC001009451322 618994214 /nfs/dbraw/zinc/99/42/14/618994214.db2.gz ALMKYYRDKYRBJS-CYBMUJFWSA-N 1 1 293.436 2.530 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2sc(C)nc2C)C1 ZINC001009451322 618994215 /nfs/dbraw/zinc/99/42/15/618994215.db2.gz ALMKYYRDKYRBJS-CYBMUJFWSA-N 1 1 293.436 2.530 20 30 CFEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001009457656 618994535 /nfs/dbraw/zinc/99/45/35/618994535.db2.gz KCYCGJHBPYVBKQ-SFHVURJKSA-N 1 1 298.430 2.946 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001006704475 618995758 /nfs/dbraw/zinc/99/57/58/618995758.db2.gz QJGYPPGNKSZSMD-CQSZACIVSA-N 1 1 276.380 2.667 20 30 CFEDMO CCCCCCCCC[N@H+]1CCC[C@@](O)(CO)C1 ZINC000313628193 619000560 /nfs/dbraw/zinc/00/05/60/619000560.db2.gz CANCISDEBGEQBF-HNNXBMFYSA-N 1 1 257.418 2.556 20 30 CFEDMO COc1ccc(O)c(/C=N/CC[N@@H+](C)Cc2ccccc2)c1 ZINC000066887663 619006292 /nfs/dbraw/zinc/00/62/92/619006292.db2.gz XNOXWPOWXOBLIF-CPNJWEJPSA-N 1 1 298.386 2.952 20 30 CFEDMO N#CCc1cccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)c1 ZINC000909368677 619012012 /nfs/dbraw/zinc/01/20/12/619012012.db2.gz YSQPMBHTERCFNT-HOTGVXAUSA-N 1 1 283.375 2.708 20 30 CFEDMO Cc1cc(C#N)nc(NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000893516268 619031558 /nfs/dbraw/zinc/03/15/58/619031558.db2.gz POFUPURCBRCQKQ-OAHLLOKOSA-N 1 1 270.380 2.691 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000093589125 619038166 /nfs/dbraw/zinc/03/81/66/619038166.db2.gz NNYXXKOTYOSKTN-UHFFFAOYSA-N 1 1 285.387 2.844 20 30 CFEDMO C#CCCOc1ccc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1 ZINC000093837300 619061091 /nfs/dbraw/zinc/06/10/91/619061091.db2.gz SKOUOGPLXACPFY-QGZVFWFLSA-N 1 1 289.419 2.928 20 30 CFEDMO C=CCn1c(C)nn(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1=S ZINC000841692574 619160780 /nfs/dbraw/zinc/16/07/80/619160780.db2.gz RTOGSXLLRBIYIB-TUAOUCFPSA-N 1 1 280.441 2.842 20 30 CFEDMO C=CCn1c(C)nn(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1=S ZINC000841692574 619160781 /nfs/dbraw/zinc/16/07/81/619160781.db2.gz RTOGSXLLRBIYIB-TUAOUCFPSA-N 1 1 280.441 2.842 20 30 CFEDMO Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C#N ZINC000925837332 619168709 /nfs/dbraw/zinc/16/87/09/619168709.db2.gz GDFGZURUSTXNLB-FGTMMUONSA-N 1 1 283.419 2.877 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)cc1 ZINC000840978015 619207244 /nfs/dbraw/zinc/20/72/44/619207244.db2.gz KXVOYPUNTYFHMO-WBVHZDCISA-N 1 1 287.403 2.682 20 30 CFEDMO CCCCCCCNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000858110421 619211311 /nfs/dbraw/zinc/21/13/11/619211311.db2.gz BSADXWPAKALVPO-CQSZACIVSA-N 1 1 269.433 2.598 20 30 CFEDMO C=C1CCN(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)CC1 ZINC000893855124 619229043 /nfs/dbraw/zinc/22/90/43/619229043.db2.gz DKWXCNVQHHOVAX-INIZCTEOSA-N 1 1 285.391 2.535 20 30 CFEDMO C=C1CCN(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)CC1 ZINC000893855124 619229045 /nfs/dbraw/zinc/22/90/45/619229045.db2.gz DKWXCNVQHHOVAX-INIZCTEOSA-N 1 1 285.391 2.535 20 30 CFEDMO C=CCC[N@H+](C)Cc1ccccc1O[C@@H](C)C(=O)OC ZINC000893929714 619246107 /nfs/dbraw/zinc/24/61/07/619246107.db2.gz JRDCGSUPSRFNRW-ZDUSSCGKSA-N 1 1 277.364 2.635 20 30 CFEDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)CC1(CC#N)CC1 ZINC000878115935 619252997 /nfs/dbraw/zinc/25/29/97/619252997.db2.gz MBZIILFFTUNKCJ-UHFFFAOYSA-N 1 1 281.400 2.527 20 30 CFEDMO C=CC[C@@H](C)[N@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000878341341 619259003 /nfs/dbraw/zinc/25/90/03/619259003.db2.gz WSJNRRRAFSTWLB-OLZOCXBDSA-N 1 1 253.386 2.862 20 30 CFEDMO [NH2+]=C(NCCc1ccc2cn[nH]c2c1)NC1CCCCCC1 ZINC000261874027 619300136 /nfs/dbraw/zinc/30/01/36/619300136.db2.gz PKJNOCNTGYABAT-UHFFFAOYSA-N 1 1 299.422 2.733 20 30 CFEDMO C[C@H](CC#N)[NH2+]C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000878820138 619301719 /nfs/dbraw/zinc/30/17/19/619301719.db2.gz HUSKQJNXKZPQNG-SKDRFNHKSA-N 1 1 272.270 2.631 20 30 CFEDMO C=C(C)CN1CCC([NH2+][C@H](C)c2cc(OC)ccn2)CC1 ZINC000924985057 619317028 /nfs/dbraw/zinc/31/70/28/619317028.db2.gz FZUQBRPDVDVWCT-CQSZACIVSA-N 1 1 289.423 2.781 20 30 CFEDMO C[N@@H+](CCCOC(F)(F)F)CCc1cccc(C#N)c1 ZINC000879432377 619344299 /nfs/dbraw/zinc/34/42/99/619344299.db2.gz JBTXMRPWFSMZDB-UHFFFAOYSA-N 1 1 286.297 2.959 20 30 CFEDMO C=CCCCC[N@H+]1CC[C@@]2(C(=O)OC)CCC[C@@H]12 ZINC000880183629 619417740 /nfs/dbraw/zinc/41/77/40/619417740.db2.gz JAWIDFIMBJTMEF-HIFRSBDPSA-N 1 1 251.370 2.760 20 30 CFEDMO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC000928433113 619463173 /nfs/dbraw/zinc/46/31/73/619463173.db2.gz LABQEPZSSLWGCB-ZIAGYGMSSA-N 1 1 264.413 2.722 20 30 CFEDMO N#Cc1ccccc1CO[NH+]=C(N)C1CCCCC1 ZINC000049066095 619509243 /nfs/dbraw/zinc/50/92/43/619509243.db2.gz XAPLPDOGPHMCPX-UHFFFAOYSA-N 1 1 257.337 2.927 20 30 CFEDMO COC(=O)c1ccc(C[NH2+]CC2(C#N)CCC2)cc1C ZINC000894965673 619518373 /nfs/dbraw/zinc/51/83/73/619518373.db2.gz IPQYHYOOKHUTNV-UHFFFAOYSA-N 1 1 272.348 2.565 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3ccc(C#N)cc3Cl)CC[C@H]21 ZINC000895023414 619528920 /nfs/dbraw/zinc/52/89/20/619528920.db2.gz VNQWVLMPMCAHAA-GXTWGEPZSA-N 1 1 275.783 2.742 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](Cc2ccnc(OC)c2F)C1 ZINC000895556782 619554870 /nfs/dbraw/zinc/55/48/70/619554870.db2.gz BPEIBFUUZDTWIO-LLVKDONJSA-N 1 1 250.317 2.627 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2nccc3c2CCCC3)C1 ZINC000895562062 619556417 /nfs/dbraw/zinc/55/64/17/619556417.db2.gz APZADMXNYMFFNZ-AWEZNQCLSA-N 1 1 254.377 2.806 20 30 CFEDMO C=C(C)C[C@H]([NH2+]C1CCC(C#N)CC1)C(=O)OCC ZINC000895591845 619565464 /nfs/dbraw/zinc/56/54/64/619565464.db2.gz ICEULFATVLTAHT-RUXDESIVSA-N 1 1 264.369 2.556 20 30 CFEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@H](OC)CC1)C(=O)OCC ZINC000895593290 619565875 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ZINC000989919292 620402986 /nfs/dbraw/zinc/40/29/86/620402986.db2.gz NPYRJPJALUNVQT-AEFFLSMTSA-N 1 1 288.435 2.703 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3ccc(C)o3)CCC[C@@H]12 ZINC000989935170 620404113 /nfs/dbraw/zinc/40/41/13/620404113.db2.gz CAWMOEZBHZMZSX-NVXWUHKLSA-N 1 1 288.391 2.891 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(Cl)c[nH]3)CCC[C@@H]12 ZINC000989948445 620404734 /nfs/dbraw/zinc/40/47/34/620404734.db2.gz MBFVRRPSXZSODN-UKRRQHHQSA-N 1 1 293.798 2.581 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2cscc2C(F)F)C1 ZINC001014477095 620405223 /nfs/dbraw/zinc/40/52/23/620405223.db2.gz GKOIZWWULSFCKG-SNVBAGLBSA-N 1 1 298.358 2.513 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cscc3C)CCC[C@@H]12 ZINC000990165190 620411349 /nfs/dbraw/zinc/41/13/49/620411349.db2.gz VWYAKVKQMWNOJW-ZBFHGGJFSA-N 1 1 290.432 2.969 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)oc3ccccc32)C1 ZINC001014550729 620425203 /nfs/dbraw/zinc/42/52/03/620425203.db2.gz NRASSCPTSNVVQQ-CQSZACIVSA-N 1 1 296.370 2.569 20 30 CFEDMO C=C1CCC(C(=O)N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000898383934 620457029 /nfs/dbraw/zinc/45/70/29/620457029.db2.gz JEYHBZKRWZQESM-OKILXGFUSA-N 1 1 264.413 2.674 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)NCC[N@H+]1CCCC1(C)C ZINC000899157793 620526995 /nfs/dbraw/zinc/52/69/95/620526995.db2.gz DIZVTUREKWZUSF-UHFFFAOYSA-N 1 1 299.418 2.779 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000899161432 620528124 /nfs/dbraw/zinc/52/81/24/620528124.db2.gz KNKJBJYYSNMWBD-HNNXBMFYSA-N 1 1 299.418 2.637 20 30 CFEDMO COc1ccc(O)c(/C=N\CC[N@H+]2CCC(C)(C)C2)c1 ZINC000899231803 620533667 /nfs/dbraw/zinc/53/36/67/620533667.db2.gz HCBCDLZYDLOHJW-BOPFTXTBSA-N 1 1 276.380 2.552 20 30 CFEDMO C#CCCCC(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899509685 620576526 /nfs/dbraw/zinc/57/65/26/620576526.db2.gz OVPWQUCSCORTAT-UHFFFAOYSA-N 1 1 273.380 2.536 20 30 CFEDMO C=C1C[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000899900296 620610708 /nfs/dbraw/zinc/61/07/08/620610708.db2.gz OBCFFJUULUZTMT-KRWDZBQOSA-N 1 1 253.345 2.615 20 30 CFEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H]2C2CCCC2)CCC1 ZINC000899912113 620612230 /nfs/dbraw/zinc/61/22/30/620612230.db2.gz BIESGRCSMPKDON-CABCVRRESA-N 1 1 262.397 2.696 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cc4occc4[nH]3)CCC[C@H]12 ZINC000990891422 620868970 /nfs/dbraw/zinc/86/89/70/620868970.db2.gz NREHKXJFPDXVHH-DOTOQJQBSA-N 1 1 299.374 2.674 20 30 CFEDMO C=CC[C@@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)C(=O)OC ZINC000901671869 620889245 /nfs/dbraw/zinc/88/92/45/620889245.db2.gz FVRSZINZNHVHHT-WDEREUQCSA-N 1 1 261.312 2.519 20 30 CFEDMO COc1ccc(C(N)=[NH+]OCCSC(F)(F)F)cc1 ZINC000902214111 620994311 /nfs/dbraw/zinc/99/43/11/620994311.db2.gz VFNNJTPFSHXKKU-UHFFFAOYSA-N 1 1 294.298 2.585 20 30 CFEDMO C=C(Cl)COc1ccc([C@@H](C)[NH2+]CC2(N)CC2)cc1 ZINC000902418726 621072186 /nfs/dbraw/zinc/07/21/86/621072186.db2.gz YYMMPMNOOPGDSJ-GFCCVEGCSA-N 1 1 280.799 2.960 20 30 CFEDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1cc(Cl)cc(C#N)c1 ZINC000902479304 621088674 /nfs/dbraw/zinc/08/86/74/621088674.db2.gz XXEZCYGDTYREDW-UFBFGSQYSA-N 1 1 263.728 2.866 20 30 CFEDMO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000071140379 625465885 /nfs/dbraw/zinc/46/58/85/625465885.db2.gz BHPUSEKOSKVXCF-OAHLLOKOSA-N 1 1 290.338 2.615 20 30 CFEDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000071140379 625465889 /nfs/dbraw/zinc/46/58/89/625465889.db2.gz BHPUSEKOSKVXCF-OAHLLOKOSA-N 1 1 290.338 2.615 20 30 CFEDMO C=CCOc1ccc(C[NH2+]Cc2cn(CC)cn2)cc1 ZINC000902558910 621121925 /nfs/dbraw/zinc/12/19/25/621121925.db2.gz RSFIBWNDNYECFX-UHFFFAOYSA-N 1 1 271.364 2.758 20 30 CFEDMO CCn1cnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)c1 ZINC000902618594 621136033 /nfs/dbraw/zinc/13/60/33/621136033.db2.gz HEFNRBFZAUXICC-UHFFFAOYSA-N 1 1 280.375 2.944 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000801925332 621143372 /nfs/dbraw/zinc/14/33/72/621143372.db2.gz BANQVTVUJBPZTK-FMKPAKJESA-N 1 1 258.365 2.793 20 30 CFEDMO C=CCCC[N@H+](CC)Cn1cnc(-c2ccccn2)n1 ZINC000902669990 621148540 /nfs/dbraw/zinc/14/85/40/621148540.db2.gz WJKVPXUYPKQQJA-UHFFFAOYSA-N 1 1 271.368 2.586 20 30 CFEDMO N#Cc1ccnc(CO[NH+]=C(N)C2CCCCCC2)c1 ZINC000902723832 621157661 /nfs/dbraw/zinc/15/76/61/621157661.db2.gz ZFTLSCQUOBLSHT-UHFFFAOYSA-N 1 1 272.352 2.922 20 30 CFEDMO C[C@@H](NCC[N@H+](C)Cc1ccccc1)c1cc(C#N)ccn1 ZINC000902759786 621166500 /nfs/dbraw/zinc/16/65/00/621166500.db2.gz FHBYQWGXYHXJJI-OAHLLOKOSA-N 1 1 294.402 2.736 20 30 CFEDMO COCC[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccco1 ZINC000902944224 621207502 /nfs/dbraw/zinc/20/75/02/621207502.db2.gz DIJZCYHRXQOFCN-GXTWGEPZSA-N 1 1 285.347 2.975 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902993010 621219855 /nfs/dbraw/zinc/21/98/55/621219855.db2.gz ODJBGZAPEGOEKL-KBPBESRZSA-N 1 1 274.412 2.724 20 30 CFEDMO C[C@@H]([NH2+][C@H](CCCC#N)c1ccccc1)c1cn(C)nn1 ZINC000903001234 621225459 /nfs/dbraw/zinc/22/54/59/621225459.db2.gz RHGIYFYCXDDGDW-UKRRQHHQSA-N 1 1 283.379 2.901 20 30 CFEDMO N#CC1(C[NH2+][C@@H](c2cncc(F)c2)C2CC2)CCC1 ZINC000903033708 621230294 /nfs/dbraw/zinc/23/02/94/621230294.db2.gz XUCQQCMHUYTXSV-CQSZACIVSA-N 1 1 259.328 2.955 20 30 CFEDMO C[C@@H](NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc(C#N)ccn1 ZINC000903058457 621236615 /nfs/dbraw/zinc/23/66/15/621236615.db2.gz HHHNZBUOGHSZAQ-RHSMWYFYSA-N 1 1 298.434 2.726 20 30 CFEDMO COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC(C)(C)C#N)CCC2 ZINC000903102378 621253537 /nfs/dbraw/zinc/25/35/37/621253537.db2.gz XJVOQJCJPVEGEB-HNNXBMFYSA-N 1 1 286.375 2.990 20 30 CFEDMO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106067 621255056 /nfs/dbraw/zinc/25/50/56/621255056.db2.gz MDVVSNDAIJBJLY-LLVKDONJSA-N 1 1 259.309 2.858 20 30 CFEDMO CC(=O)OCc1cccc([C@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000903222380 621293114 /nfs/dbraw/zinc/29/31/14/621293114.db2.gz ZDXSJEUYXNVRKT-LBPRGKRZSA-N 1 1 272.348 2.704 20 30 CFEDMO C=CCC[C@H]([NH2+]Cc1cn(C)nc1OC)c1ccco1 ZINC000903336811 621332978 /nfs/dbraw/zinc/33/29/78/621332978.db2.gz FGOBSKKCSMHJAB-ZDUSSCGKSA-N 1 1 275.352 2.819 20 30 CFEDMO CC(C)[C@](C)(CN)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000903427609 621371441 /nfs/dbraw/zinc/37/14/41/621371441.db2.gz YZEBBCZMUZPSAP-AWEZNQCLSA-N 1 1 265.788 2.675 20 30 CFEDMO C[NH2+]CC1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000903423575 621379049 /nfs/dbraw/zinc/37/90/49/621379049.db2.gz XFXVFHAZOXWFJF-UHFFFAOYSA-N 1 1 277.799 2.643 20 30 CFEDMO C[C@H](C[C@H]1CCC[NH2+]1)N[C@H](C)c1cccc(C#N)c1 ZINC000903949405 621486473 /nfs/dbraw/zinc/48/64/73/621486473.db2.gz AMKSRCSISABNRZ-XJKCOSOUSA-N 1 1 257.381 2.739 20 30 CFEDMO CC(C)(C)NCC[NH2+]C(C)(C)Cc1ccc(C#N)cc1 ZINC000903988873 621500258 /nfs/dbraw/zinc/50/02/58/621500258.db2.gz ZSHFSHHJJGPIKO-UHFFFAOYSA-N 1 1 273.424 2.857 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000832718369 625493210 /nfs/dbraw/zinc/49/32/10/625493210.db2.gz HHWTUPDWYWBCRC-CQSZACIVSA-N 1 1 264.413 2.722 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC000832714901 625493421 /nfs/dbraw/zinc/49/34/21/625493421.db2.gz RIURDDVDCGOFIE-UONOGXRCSA-N 1 1 266.429 2.825 20 30 CFEDMO C[N@H+]1CCC[C@@H]1C(=O)N(O)Cc1cccc2ccccc21 ZINC000904173094 621541889 /nfs/dbraw/zinc/54/18/89/621541889.db2.gz NAGVJHYUUPQODB-MRXNPFEDSA-N 1 1 284.359 2.652 20 30 CFEDMO CCCCN(O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000904214596 621555175 /nfs/dbraw/zinc/55/51/75/621555175.db2.gz FKHYZFHBHRPQGC-HUUCEWRRSA-N 1 1 276.380 2.697 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cc(C)nc(OC)c2)no1 ZINC000904712907 621628446 /nfs/dbraw/zinc/62/84/46/621628446.db2.gz NTINRMXSYBCFBE-GFCCVEGCSA-N 1 1 288.351 2.805 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccsn2)no1 ZINC000904732067 621633007 /nfs/dbraw/zinc/63/30/07/621633007.db2.gz AGIWFKJEJRXVOR-QMMMGPOBSA-N 1 1 250.327 2.549 20 30 CFEDMO C[N@@H+](CCNc1nc2ccccc2cc1C#N)C1CC1 ZINC000071385926 625511124 /nfs/dbraw/zinc/51/11/24/625511124.db2.gz RFKCJGZKPYZCBF-UHFFFAOYSA-N 1 1 266.348 2.613 20 30 CFEDMO CC[C@@H](C[NH+]1CCOCC1)/N=C/c1cc(Cl)ccc1O ZINC000905001559 621679757 /nfs/dbraw/zinc/67/97/57/621679757.db2.gz BBRALQVGJFFELT-FBJMNJBLSA-N 1 1 296.798 2.575 20 30 CFEDMO COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H](C#N)CCC#N ZINC000905433793 621770835 /nfs/dbraw/zinc/77/08/35/621770835.db2.gz BSURLCNAWNUXOQ-ZFWWWQNUSA-N 1 1 299.374 2.942 20 30 CFEDMO Cc1cc(N[NH2+]C2=CC(=O)N3CCC[C@H]23)ccc1Cl ZINC000905510890 621784240 /nfs/dbraw/zinc/78/42/40/621784240.db2.gz XCFAQGWDJXANHB-CYBMUJFWSA-N 1 1 277.755 2.811 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000905701853 621824410 /nfs/dbraw/zinc/82/44/10/621824410.db2.gz KBNHLEVKOOJTTD-IUODEOHRSA-N 1 1 254.337 2.566 20 30 CFEDMO N#C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000905721397 621832586 /nfs/dbraw/zinc/83/25/86/621832586.db2.gz QTDBCISUBWLAHG-GFCCVEGCSA-N 1 1 267.332 2.676 20 30 CFEDMO C=CC[C@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)OC ZINC000905767297 621858136 /nfs/dbraw/zinc/85/81/36/621858136.db2.gz KREYTUVLRLDBHN-QWRGUYRKSA-N 1 1 261.312 2.519 20 30 CFEDMO N#CC1(C[C@@H](O)C[N@H+]2CC3(CCC3)[C@H]2C2CC2)CCC1 ZINC000905957736 621911572 /nfs/dbraw/zinc/91/15/72/621911572.db2.gz OSGYJWLQOZGRMR-HUUCEWRRSA-N 1 1 274.408 2.696 20 30 CFEDMO CC(C)[N@@H+](C)CCCNC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000906101288 621930570 /nfs/dbraw/zinc/93/05/70/621930570.db2.gz IOFFAWAUWMYXPL-VMBOVVBDSA-N 1 1 291.439 2.553 20 30 CFEDMO C=CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000906447910 621991025 /nfs/dbraw/zinc/99/10/25/621991025.db2.gz OBKUMZAUJQYGIX-LBPRGKRZSA-N 1 1 292.345 2.685 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCOc1cccc(OCC#N)c1 ZINC000906507328 621994476 /nfs/dbraw/zinc/99/44/76/621994476.db2.gz MCGUTMUBOOIELI-CQSZACIVSA-N 1 1 274.364 2.842 20 30 CFEDMO C=CC1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC000906646734 622024398 /nfs/dbraw/zinc/02/43/98/622024398.db2.gz JLCZZPMFGVQNNU-HNNXBMFYSA-N 1 1 264.413 2.533 20 30 CFEDMO Cc1cc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc(C)c1C#N ZINC000906713081 622033430 /nfs/dbraw/zinc/03/34/30/622033430.db2.gz 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O=C(C#CC1CC1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000826574046 623816369 /nfs/dbraw/zinc/81/63/69/623816369.db2.gz NEHGQGJWZIEZMZ-GOSISDBHSA-N 1 1 296.414 2.571 20 30 CFEDMO C#CC[C@@H]1CCCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000826584300 623818765 /nfs/dbraw/zinc/81/87/65/623818765.db2.gz FCFMDJPHSZCNQC-OAHLLOKOSA-N 1 1 284.407 2.707 20 30 CFEDMO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CC2CC2)[C@H]1C ZINC000992972537 623823015 /nfs/dbraw/zinc/82/30/15/623823015.db2.gz VEQYXOBGJALIFN-HIFRSBDPSA-N 1 1 264.413 2.722 20 30 CFEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC2CC2)[C@@H]1C ZINC000992972531 623823382 /nfs/dbraw/zinc/82/33/82/623823382.db2.gz VEQYXOBGJALIFN-DZGCQCFKSA-N 1 1 264.413 2.722 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2)[C@H]1C ZINC000992984151 623827925 /nfs/dbraw/zinc/82/79/25/623827925.db2.gz ROCUSMPRQMEYHB-GDBMZVCRSA-N 1 1 272.392 2.845 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C)s2)[C@H]1C ZINC000992984832 623828290 /nfs/dbraw/zinc/82/82/90/623828290.db2.gz STWRUHWHQGNHTD-OLZOCXBDSA-N 1 1 278.421 2.825 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C)c2)[C@@H]1C ZINC000992988260 623831504 /nfs/dbraw/zinc/83/15/04/623831504.db2.gz XBCONILFQXVWOE-RDJZCZTQSA-N 1 1 284.403 2.601 20 30 CFEDMO C=CCCC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000826656048 623832563 /nfs/dbraw/zinc/83/25/63/623832563.db2.gz XMGPWAVNKAHAGW-CYBMUJFWSA-N 1 1 252.402 2.720 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccsc2)[C@@H]1C ZINC000993008174 623838964 /nfs/dbraw/zinc/83/89/64/623838964.db2.gz AFOYVZOOTGRLLA-WCQYABFASA-N 1 1 264.394 2.517 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cc(Cl)c[nH]2)[C@H]1C ZINC000993028193 623851323 /nfs/dbraw/zinc/85/13/23/623851323.db2.gz VVYXMEVOEKSZCS-YPMHNXCESA-N 1 1 295.814 2.827 20 30 CFEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc[nH]2)[C@@H]1C ZINC000993027991 623851562 /nfs/dbraw/zinc/85/15/62/623851562.db2.gz JVJBSTDZTPURNK-UONOGXRCSA-N 1 1 275.396 2.564 20 30 CFEDMO COc1ccc(CO[NH+]=C(N)C2CCCCC2)cc1C#N ZINC000153127216 623854728 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CC[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](CC#N)C2)CCO1 ZINC000826862344 623895688 /nfs/dbraw/zinc/89/56/88/623895688.db2.gz ZMKPBRZKSTTXHY-SOUVJXGZSA-N 1 1 250.386 2.817 20 30 CFEDMO CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000826861276 623895779 /nfs/dbraw/zinc/89/57/79/623895779.db2.gz DHGUHDPRJUZEGS-LLVKDONJSA-N 1 1 280.803 2.762 20 30 CFEDMO CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000826861276 623895788 /nfs/dbraw/zinc/89/57/88/623895788.db2.gz DHGUHDPRJUZEGS-LLVKDONJSA-N 1 1 280.803 2.762 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000826862027 623895957 /nfs/dbraw/zinc/89/59/57/623895957.db2.gz RHCKZPLCCCIKHM-OAHLLOKOSA-N 1 1 268.360 2.824 20 30 CFEDMO CCOC(=O)CC(C)(C)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000826862001 623896072 /nfs/dbraw/zinc/89/60/72/623896072.db2.gz QQIUDLAOZVIKSU-ZDUSSCGKSA-N 1 1 266.385 2.591 20 30 CFEDMO Cc1[nH+]c(C=NNc2cccc([N+](=O)[O-])c2)c2ccccn12 ZINC000914601514 623905492 /nfs/dbraw/zinc/90/54/92/623905492.db2.gz USTPUAVPKNIMTF-UHFFFAOYSA-N 1 1 295.302 2.997 20 30 CFEDMO CC[C@@H](C)N[NH+]=C1CC(C)(C)Cc2nc(N)sc21 ZINC000814913073 623911585 /nfs/dbraw/zinc/91/15/85/623911585.db2.gz GSLMJNNVESTIAZ-MRVPVSSYSA-N 1 1 266.414 2.790 20 30 CFEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cncc(C#N)c2)C12CCC2 ZINC000929840352 623911603 /nfs/dbraw/zinc/91/16/03/623911603.db2.gz DMTGMWPZAREASB-JKSUJKDBSA-N 1 1 285.391 2.733 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cnc(C)s2)[C@@H]1C ZINC000993135665 623943204 /nfs/dbraw/zinc/94/32/04/623943204.db2.gz XBKBCBABUQEKJZ-WCQYABFASA-N 1 1 293.436 2.610 20 30 CFEDMO C=CC1(CC(=O)NC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC000827135444 623950354 /nfs/dbraw/zinc/95/03/54/623950354.db2.gz CVKSLCXUSHVSPV-CQSZACIVSA-N 1 1 264.413 2.723 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NOC[C@H]1CCOC1 ZINC000788033657 623964358 /nfs/dbraw/zinc/96/43/58/623964358.db2.gz JZYKOLMCVBVGAB-HOCLYGCPSA-N 1 1 288.391 2.547 20 30 CFEDMO C[C@@H]1CC(=NOC[C@@H]2CCOC2)C[N@H+]1Cc1ccccc1 ZINC000788034658 623973457 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CN(CCC#N)c1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000827593856 624040478 /nfs/dbraw/zinc/04/04/78/624040478.db2.gz CAVHOXLQMCAGRK-IRXDYDNUSA-N 1 1 299.418 2.505 20 30 CFEDMO CC(C)(C)OC(=O)NCC1(C[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000827650713 624052044 /nfs/dbraw/zinc/05/20/44/624052044.db2.gz VMVDFDLBQDUHAE-OAHLLOKOSA-N 1 1 293.411 2.527 20 30 CFEDMO CC(C)(C)OC(=O)NCC1(C[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000827650713 624052050 /nfs/dbraw/zinc/05/20/50/624052050.db2.gz VMVDFDLBQDUHAE-OAHLLOKOSA-N 1 1 293.411 2.527 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc[nH]c2CC)[C@H]1C ZINC000993259627 624057360 /nfs/dbraw/zinc/05/73/60/624057360.db2.gz PGRFRJMLLMUNTD-CZUORRHYSA-N 1 1 289.423 2.736 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2CC)[C@H]1C ZINC000993264017 624060021 /nfs/dbraw/zinc/06/00/21/624060021.db2.gz LQFWCZYKTHQHIT-OCCSQVGLSA-N 1 1 276.380 2.611 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001015640047 624065417 /nfs/dbraw/zinc/06/54/17/624065417.db2.gz 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C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CC2)[C@@H]1C ZINC000993721229 624160894 /nfs/dbraw/zinc/16/08/94/624160894.db2.gz TXBYWIWAMBYJIB-DZGCQCFKSA-N 1 1 278.440 2.968 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2coc(C(F)F)c2)[C@H]1C ZINC000993717643 624160940 /nfs/dbraw/zinc/16/09/40/624160940.db2.gz QQHXPNNOWRYFFM-PWSUYJOCSA-N 1 1 298.333 2.986 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cocc2C)[C@@H]1C ZINC000993701134 624161931 /nfs/dbraw/zinc/16/19/31/624161931.db2.gz MDNRBIBXNOMRMI-ZFWWWQNUSA-N 1 1 276.380 2.747 20 30 CFEDMO C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)[C@@H]1C ZINC000993698972 624162256 /nfs/dbraw/zinc/16/22/56/624162256.db2.gz CZWOOSZAGCMMJQ-FIDHJVLJSA-N 1 1 290.451 2.968 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cc[nH]c2CCC)[C@H]1C ZINC000993701668 624162281 /nfs/dbraw/zinc/16/22/81/624162281.db2.gz JAJFVYKNWIBNQF-HIFRSBDPSA-N 1 1 289.423 2.736 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2C2CC2)[C@@H]1C ZINC000993702615 624162338 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TUIAGCVKODSBNE-LBPRGKRZSA-N 1 1 270.332 2.804 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770287459 627511863 /nfs/dbraw/zinc/51/18/63/627511863.db2.gz XLRWUNBMPUIQAB-IAGOWNOFSA-N 1 1 285.387 2.700 20 30 CFEDMO N#CCOc1ccc(C[NH2+]Cc2nc3c(s2)CCC3)cc1 ZINC000771833488 627636021 /nfs/dbraw/zinc/63/60/21/627636021.db2.gz ZFNFWLWRYSJNRH-UHFFFAOYSA-N 1 1 299.399 2.824 20 30 CFEDMO CC(=O)CC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000771835712 627636161 /nfs/dbraw/zinc/63/61/61/627636161.db2.gz CTRZFQIPJQCHRF-UHFFFAOYSA-N 1 1 258.365 2.995 20 30 CFEDMO C[C@H](CC#N)N[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000771884634 627642144 /nfs/dbraw/zinc/64/21/44/627642144.db2.gz HPPHFCJLTLEZKL-GFCCVEGCSA-N 1 1 276.409 2.964 20 30 CFEDMO C#CCCC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000772332035 627702645 /nfs/dbraw/zinc/70/26/45/627702645.db2.gz ORWISARZZRZAGW-UONOGXRCSA-N 1 1 280.412 2.730 20 30 CFEDMO C=C(CC)C[N@@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000773404899 627815355 /nfs/dbraw/zinc/81/53/55/627815355.db2.gz IYJLPAUIHPXWQV-UHFFFAOYSA-N 1 1 272.392 2.977 20 30 CFEDMO C=C(CC)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000773407671 627815574 /nfs/dbraw/zinc/81/55/74/627815574.db2.gz BQSVSUXGBCPTJM-UHFFFAOYSA-N 1 1 274.408 2.921 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1csc(C)c1C ZINC000773789101 627858813 /nfs/dbraw/zinc/85/88/13/627858813.db2.gz SZGWBNGQMIBKEO-CYBMUJFWSA-N 1 1 277.389 2.619 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1csc(C)c1C ZINC000773789101 627858817 /nfs/dbraw/zinc/85/88/17/627858817.db2.gz SZGWBNGQMIBKEO-CYBMUJFWSA-N 1 1 277.389 2.619 20 30 CFEDMO Cn1ccnc1[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000851990950 634618356 /nfs/dbraw/zinc/61/83/56/634618356.db2.gz ZZFXTBHVADTRRO-QGZVFWFLSA-N 1 1 294.402 2.714 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000775179320 627998282 /nfs/dbraw/zinc/99/82/82/627998282.db2.gz NJDSOOZQWCCQFO-GFCCVEGCSA-N 1 1 273.767 2.979 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000775179320 627998284 /nfs/dbraw/zinc/99/82/84/627998284.db2.gz NJDSOOZQWCCQFO-GFCCVEGCSA-N 1 1 273.767 2.979 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000851996562 634621212 /nfs/dbraw/zinc/62/12/12/634621212.db2.gz VYWDVHYKQXLQIN-OWCLPIDISA-N 1 1 271.408 2.774 20 30 CFEDMO C[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000775336640 628010844 /nfs/dbraw/zinc/01/08/44/628010844.db2.gz OPMMKZRZTNKSBD-LSDHHAIUSA-N 1 1 287.407 2.581 20 30 CFEDMO C[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000775336640 628010847 /nfs/dbraw/zinc/01/08/47/628010847.db2.gz OPMMKZRZTNKSBD-LSDHHAIUSA-N 1 1 287.407 2.581 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@H]1CCCO1 ZINC000775342284 628012332 /nfs/dbraw/zinc/01/23/32/628012332.db2.gz QBDALZHASCPOSF-QWHCGFSZSA-N 1 1 278.421 2.711 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1ccc(F)cc1Cl)[C@H]1CCCO1 ZINC000775343053 628012906 /nfs/dbraw/zinc/01/29/06/628012906.db2.gz UVIHJEBTCSOERE-ZIAGYGMSSA-N 1 1 267.731 2.750 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc(Cl)ccc1OC)[C@H]1CCCO1 ZINC000775344182 628013667 /nfs/dbraw/zinc/01/36/67/628013667.db2.gz DPGUINGGXOQFMQ-DZGCQCFKSA-N 1 1 279.767 2.619 20 30 CFEDMO C=C(C)CC[N@H+](Cc1ccc(C(=O)NC)cc1)C1CC1 ZINC000775556952 628036853 /nfs/dbraw/zinc/03/68/53/628036853.db2.gz UVESWSOFAOBKEN-UHFFFAOYSA-N 1 1 272.392 2.977 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000775573089 628041664 /nfs/dbraw/zinc/04/16/64/628041664.db2.gz FWWWBTPMUFHXFE-ONERCXAPSA-N 1 1 265.303 2.796 20 30 CFEDMO C=C(C)CC[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000775603552 628044917 /nfs/dbraw/zinc/04/49/17/628044917.db2.gz KOJQTNKFRXNARK-UHFFFAOYSA-N 1 1 256.390 2.799 20 30 CFEDMO C#CC[N@H+](CCc1ccccc1C(=O)OC)C1CCCC1 ZINC000775614105 628046150 /nfs/dbraw/zinc/04/61/50/628046150.db2.gz YBBPUNNIOWRVPE-UHFFFAOYSA-N 1 1 285.387 2.894 20 30 CFEDMO C=C(C)CC[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000775631349 628047681 /nfs/dbraw/zinc/04/76/81/628047681.db2.gz GIEMQYRLTQUDGH-UHFFFAOYSA-N 1 1 297.782 2.987 20 30 CFEDMO C=C(C)CC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000775631349 628047684 /nfs/dbraw/zinc/04/76/84/628047684.db2.gz GIEMQYRLTQUDGH-UHFFFAOYSA-N 1 1 297.782 2.987 20 30 CFEDMO CC(C)C[N@H+](CCC#N)Cc1ccc2c(c1)ncn2C ZINC000775643173 628049103 /nfs/dbraw/zinc/04/91/03/628049103.db2.gz NMVGYGWGYIFULJ-UHFFFAOYSA-N 1 1 270.380 2.945 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc2c(c1)ncn2C ZINC000775643173 628049105 /nfs/dbraw/zinc/04/91/05/628049105.db2.gz NMVGYGWGYIFULJ-UHFFFAOYSA-N 1 1 270.380 2.945 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1nc2ccccc2s1)[C@H]1CCCO1 ZINC000775794471 628069174 /nfs/dbraw/zinc/06/91/74/628069174.db2.gz QWHJDQFZHCIUQW-DGCLKSJQSA-N 1 1 272.373 2.567 20 30 CFEDMO C#C[C@H]([NH2+]Cc1nc2ccccc2s1)[C@@H]1CCCO1 ZINC000775794468 628069204 /nfs/dbraw/zinc/06/92/04/628069204.db2.gz QWHJDQFZHCIUQW-AAEUAGOBSA-N 1 1 272.373 2.567 20 30 CFEDMO CC(C)[N@H+](CCC#N)Cc1ccc2c(c1)CCC(=O)N2C ZINC000775913644 628083451 /nfs/dbraw/zinc/08/34/51/628083451.db2.gz YULLYLDDVNVTDJ-UHFFFAOYSA-N 1 1 285.391 2.720 20 30 CFEDMO CC(C)[N@@H+](CCC#N)Cc1ccc2c(c1)CCC(=O)N2C ZINC000775913644 628083456 /nfs/dbraw/zinc/08/34/56/628083456.db2.gz YULLYLDDVNVTDJ-UHFFFAOYSA-N 1 1 285.391 2.720 20 30 CFEDMO C#CCOc1ccccc1NC(=O)CCCn1cc[nH+]c1C ZINC000775948288 628087290 /nfs/dbraw/zinc/08/72/90/628087290.db2.gz NUUOSQCDLVEUIR-UHFFFAOYSA-N 1 1 297.358 2.622 20 30 CFEDMO N#CC1(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000775971266 628088801 /nfs/dbraw/zinc/08/88/01/628088801.db2.gz AXBOIQCSSGTTIX-QWHCGFSZSA-N 1 1 276.405 2.940 20 30 CFEDMO N#CC1(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000775971266 628088802 /nfs/dbraw/zinc/08/88/02/628088802.db2.gz AXBOIQCSSGTTIX-QWHCGFSZSA-N 1 1 276.405 2.940 20 30 CFEDMO C#CC[N@@H+](CC)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000775971871 628088910 /nfs/dbraw/zinc/08/89/10/628088910.db2.gz GAWHEOYABNHQQL-UHFFFAOYSA-N 1 1 293.794 2.999 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc2ccccc2nc1OC)[C@H]1CCCO1 ZINC000775999226 628093094 /nfs/dbraw/zinc/09/30/94/628093094.db2.gz HNVOAZXJVGJMBD-NVXWUHKLSA-N 1 1 296.370 2.514 20 30 CFEDMO CCCNN=C1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000776186727 628113436 /nfs/dbraw/zinc/11/34/36/628113436.db2.gz YCFQMECZJXVICX-AWEZNQCLSA-N 1 1 259.397 2.884 20 30 CFEDMO CCCNN=C1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000776186727 628113439 /nfs/dbraw/zinc/11/34/39/628113439.db2.gz YCFQMECZJXVICX-AWEZNQCLSA-N 1 1 259.397 2.884 20 30 CFEDMO COCCON=C1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000776188031 628113881 /nfs/dbraw/zinc/11/38/81/628113881.db2.gz SGWOMXKZPXDWGK-AWEZNQCLSA-N 1 1 276.380 2.547 20 30 CFEDMO COc1ccc(N[NH+]=Cc2cnccc2N(C)C)cc1 ZINC000776187438 628113888 /nfs/dbraw/zinc/11/38/88/628113888.db2.gz HYXMZUSCFRBNQC-UHFFFAOYSA-N 1 1 270.336 2.602 20 30 CFEDMO C=CCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776608684 628164985 /nfs/dbraw/zinc/16/49/85/628164985.db2.gz DSUYJAHDMPZRQA-QWHCGFSZSA-N 1 1 268.401 2.892 20 30 CFEDMO C#CC[N@H+](Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000852045325 634635614 /nfs/dbraw/zinc/63/56/14/634635614.db2.gz KIWQMMHNNQYBCW-RCCFBDPRSA-N 1 1 296.414 2.569 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000852045325 634635616 /nfs/dbraw/zinc/63/56/16/634635616.db2.gz KIWQMMHNNQYBCW-RCCFBDPRSA-N 1 1 296.414 2.569 20 30 CFEDMO C#CC[N@@H+](Cc1cnn(-c2ccccc2)c1)C(C)C ZINC000777744814 628250583 /nfs/dbraw/zinc/25/05/83/628250583.db2.gz RACUEEHLEVZVML-UHFFFAOYSA-N 1 1 253.349 2.716 20 30 CFEDMO COC[C@@H](C)NN=C1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000777900447 628263079 /nfs/dbraw/zinc/26/30/79/628263079.db2.gz ACBPHSKKTSGXKD-CQSZACIVSA-N 1 1 289.423 2.651 20 30 CFEDMO COC[C@@H](C)NN=C1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000777900447 628263082 /nfs/dbraw/zinc/26/30/82/628263082.db2.gz ACBPHSKKTSGXKD-CQSZACIVSA-N 1 1 289.423 2.651 20 30 CFEDMO C[C@H]1CC(N=Nc2cc(Cl)ccn2)CC[N@H+]1C ZINC000777905407 628264027 /nfs/dbraw/zinc/26/40/27/628264027.db2.gz GEEFJYDYCKWUGD-VIFPVBQESA-N 1 1 252.749 2.617 20 30 CFEDMO C#CCOCC[N@H+](C)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000852071691 634643372 /nfs/dbraw/zinc/64/33/72/634643372.db2.gz PIMQZZPTVPDBPI-NEPJUHHUSA-N 1 1 263.303 2.689 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](C)CCCCCC ZINC000778230532 628288440 /nfs/dbraw/zinc/28/84/40/628288440.db2.gz GGRYYDAXIWMNQY-CQSZACIVSA-N 1 1 254.418 2.969 20 30 CFEDMO C=CC[N@@H+](CN1CC(CC)(CC)OC1=O)C(C)C ZINC000778569148 628316971 /nfs/dbraw/zinc/31/69/71/628316971.db2.gz XPZGNWFYXILZAC-UHFFFAOYSA-N 1 1 254.374 2.851 20 30 CFEDMO C=CC[N@H+](CN1CC(CC)(CC)OC1=O)C(C)C ZINC000778569148 628316973 /nfs/dbraw/zinc/31/69/73/628316973.db2.gz XPZGNWFYXILZAC-UHFFFAOYSA-N 1 1 254.374 2.851 20 30 CFEDMO CCCCCC[N@H+](C)CC(=O)O[C@H](C#N)C(C)C ZINC000778624387 628320843 /nfs/dbraw/zinc/32/08/43/628320843.db2.gz PYNKIZDZFITQFO-CYBMUJFWSA-N 1 1 254.374 2.590 20 30 CFEDMO CCCCCC[N@@H+](C)CC(=O)O[C@H](C#N)C(C)C ZINC000778624387 628320846 /nfs/dbraw/zinc/32/08/46/628320846.db2.gz PYNKIZDZFITQFO-CYBMUJFWSA-N 1 1 254.374 2.590 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@H](C(C)C)C2)cc1 ZINC000779150725 628356226 /nfs/dbraw/zinc/35/62/26/628356226.db2.gz RUGQSWGJXHDGJG-SFHVURJKSA-N 1 1 287.403 2.946 20 30 CFEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@H](C(C)C)C2)cc1 ZINC000779150725 628356230 /nfs/dbraw/zinc/35/62/30/628356230.db2.gz RUGQSWGJXHDGJG-SFHVURJKSA-N 1 1 287.403 2.946 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+](CC)CCCO ZINC000779162082 628356786 /nfs/dbraw/zinc/35/67/86/628356786.db2.gz SOPLBFBWNGMADC-UHFFFAOYSA-N 1 1 281.783 2.556 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](CC)CCCO ZINC000779162082 628356789 /nfs/dbraw/zinc/35/67/89/628356789.db2.gz SOPLBFBWNGMADC-UHFFFAOYSA-N 1 1 281.783 2.556 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CCCO[C@H](C)C1 ZINC000779157755 628357053 /nfs/dbraw/zinc/35/70/53/628357053.db2.gz JDEMLMOHPJERFP-CYBMUJFWSA-N 1 1 293.794 2.963 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CCCO[C@H](C)C1 ZINC000779157755 628357056 /nfs/dbraw/zinc/35/70/56/628357056.db2.gz JDEMLMOHPJERFP-CYBMUJFWSA-N 1 1 293.794 2.963 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](CCCO)C1CC1 ZINC000779156098 628357338 /nfs/dbraw/zinc/35/73/38/628357338.db2.gz AWVLTEWCONTSGC-UHFFFAOYSA-N 1 1 293.794 2.699 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+](CCCO)C1CC1 ZINC000779156098 628357341 /nfs/dbraw/zinc/35/73/41/628357341.db2.gz AWVLTEWCONTSGC-UHFFFAOYSA-N 1 1 293.794 2.699 20 30 CFEDMO C#CCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779742223 628398875 /nfs/dbraw/zinc/39/88/75/628398875.db2.gz MEYJKAIHISYDHA-SFHVURJKSA-N 1 1 298.430 2.961 20 30 CFEDMO CC(N=Nc1cnccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779768963 628401154 /nfs/dbraw/zinc/40/11/54/628401154.db2.gz PJIQEWHPSCARFO-INIZCTEOSA-N 1 1 295.390 2.787 20 30 CFEDMO COc1ccc2c(c1)CCCC2=NNc1cc[nH+]cc1 ZINC000779809263 628408859 /nfs/dbraw/zinc/40/88/59/628408859.db2.gz VVAZRVXCFWWXHA-UHFFFAOYSA-N 1 1 267.332 2.665 20 30 CFEDMO CCn1c2ccccc2nc1C(C)=NNc1cc[nH+]cc1 ZINC000779809146 628408893 /nfs/dbraw/zinc/40/88/93/628408893.db2.gz LUYBYGHEITWVDX-UHFFFAOYSA-N 1 1 279.347 2.709 20 30 CFEDMO Cc1c(C=NNc2cc[nH+]cc2)sc2nc(C)nc(C)c12 ZINC000779809634 628409341 /nfs/dbraw/zinc/40/93/41/628409341.db2.gz LUUVDUVLSXVGRB-UHFFFAOYSA-N 1 1 297.387 2.879 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1cc([N+](=O)[O-])ccc1C ZINC000779809907 628409391 /nfs/dbraw/zinc/40/93/91/628409391.db2.gz TVZNXZAZCJKJCZ-UHFFFAOYSA-N 1 1 270.292 2.556 20 30 CFEDMO c1ccc(C(C[C@H]2CCOC2)=NNc2cc[nH+]cc2)cc1 ZINC000779811234 628409731 /nfs/dbraw/zinc/40/97/31/628409731.db2.gz NGTAJMKNRSSMRL-CQSZACIVSA-N 1 1 281.359 2.746 20 30 CFEDMO CCc1[nH+]c(CN=Nc2cccc(OC)n2)c2ccccn21 ZINC000779818191 628410697 /nfs/dbraw/zinc/41/06/97/628410697.db2.gz NSGSXXZGJZKKEF-UHFFFAOYSA-N 1 1 295.346 2.746 20 30 CFEDMO C#CCCCCCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000779987753 628425154 /nfs/dbraw/zinc/42/51/54/628425154.db2.gz FXHNOQHQZYXYBP-HOTGVXAUSA-N 1 1 276.424 2.513 20 30 CFEDMO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000852101224 634655196 /nfs/dbraw/zinc/65/51/96/634655196.db2.gz OPYYSDZBVNOTEA-SJKOYZFVSA-N 1 1 288.391 2.797 20 30 CFEDMO C#C[C@](C)(CC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000852101660 634656106 /nfs/dbraw/zinc/65/61/06/634656106.db2.gz GDZLDDBNTWDRGV-CQSZACIVSA-N 1 1 273.292 2.628 20 30 CFEDMO C#CCCCCCC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000780391829 628460938 /nfs/dbraw/zinc/46/09/38/628460938.db2.gz DOGOBRLKHOQKPZ-CQSZACIVSA-N 1 1 275.396 2.528 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc([C@@H](C)OC)n1 ZINC000852102832 634657739 /nfs/dbraw/zinc/65/77/39/634657739.db2.gz QUTYOHZDMOLAHN-MFKMUULPSA-N 1 1 252.383 2.742 20 30 CFEDMO C#CCCCCCC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000780725816 628489261 /nfs/dbraw/zinc/48/92/61/628489261.db2.gz VVFRVBWSDMVBFN-CVEARBPZSA-N 1 1 278.440 2.901 20 30 CFEDMO C[C@@H]1C(=O)N(C[NH+]2CCC(CC#N)CC2)[C@@H]1c1ccccc1 ZINC000781572705 628561181 /nfs/dbraw/zinc/56/11/81/628561181.db2.gz UTYVTEDFRARNSG-YOEHRIQHSA-N 1 1 297.402 2.789 20 30 CFEDMO Cc1[nH+]ccn1CCCOC(=O)CCCCCC#N ZINC000805696933 628569484 /nfs/dbraw/zinc/56/94/84/628569484.db2.gz LWIAIMUOIHJVEB-UHFFFAOYSA-N 1 1 263.341 2.599 20 30 CFEDMO CCCCCCCC[N@@H+](CC)Cc1cn(C)nn1 ZINC000782103975 628604873 /nfs/dbraw/zinc/60/48/73/628604873.db2.gz YTMLJRPUEFIQRF-UHFFFAOYSA-N 1 1 252.406 2.998 20 30 CFEDMO C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)[C@H](C)[C@@H](C)O1 ZINC000782626239 628650275 /nfs/dbraw/zinc/65/02/75/628650275.db2.gz ZPGLVTJMYXUHJX-RBSFLKMASA-N 1 1 288.391 2.825 20 30 CFEDMO N#Cc1ccc(OCCC[N@@H+]2CCc3ncsc3C2)cc1 ZINC000782634309 628651072 /nfs/dbraw/zinc/65/10/72/628651072.db2.gz OVIVPLBJQAQXEH-UHFFFAOYSA-N 1 1 299.399 2.842 20 30 CFEDMO N#Cc1ccc(OCCC[N@H+]2CCc3ncsc3C2)cc1 ZINC000782634309 628651075 /nfs/dbraw/zinc/65/10/75/628651075.db2.gz OVIVPLBJQAQXEH-UHFFFAOYSA-N 1 1 299.399 2.842 20 30 CFEDMO C#CCOCC[N@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000852160507 634675984 /nfs/dbraw/zinc/67/59/84/634675984.db2.gz HKCPOBXKNAILLW-DLBZAZTESA-N 1 1 257.377 2.904 20 30 CFEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCCCC(C)(C)C#N ZINC000783775078 628745091 /nfs/dbraw/zinc/74/50/91/628745091.db2.gz AXOVXYZVYWYXGD-CYBMUJFWSA-N 1 1 266.385 2.734 20 30 CFEDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCCCC(C)(C)C#N ZINC000783775078 628745095 /nfs/dbraw/zinc/74/50/95/628745095.db2.gz AXOVXYZVYWYXGD-CYBMUJFWSA-N 1 1 266.385 2.734 20 30 CFEDMO C=C(C)C[N@H+](C)CN1C[C@@H](c2ccc(C)cc2)CC1=O ZINC000783991092 628760223 /nfs/dbraw/zinc/76/02/23/628760223.db2.gz COZDAUHGGBWZIQ-INIZCTEOSA-N 1 1 272.392 2.776 20 30 CFEDMO C=C(C)C[N@@H+](C)CN1C[C@@H](c2ccc(C)cc2)CC1=O ZINC000783991092 628760225 /nfs/dbraw/zinc/76/02/25/628760225.db2.gz COZDAUHGGBWZIQ-INIZCTEOSA-N 1 1 272.392 2.776 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000852193031 634684747 /nfs/dbraw/zinc/68/47/47/634684747.db2.gz WPZSROOFAMRFFS-WFASDCNBSA-N 1 1 274.364 2.703 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](N(C)c2ccc(C)cc2)C1 ZINC000784370883 628811457 /nfs/dbraw/zinc/81/14/57/628811457.db2.gz BRVNATOJPCVJEW-ROUUACIJSA-N 1 1 288.435 2.833 20 30 CFEDMO Cc1cc(C)cc([C@H](O)C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000784453533 628818313 /nfs/dbraw/zinc/81/83/13/628818313.db2.gz KABXYWSPQCCTCO-IAGOWNOFSA-N 1 1 272.392 2.963 20 30 CFEDMO Cc1cc(C)cc([C@H](O)C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000784453533 628818314 /nfs/dbraw/zinc/81/83/14/628818314.db2.gz KABXYWSPQCCTCO-IAGOWNOFSA-N 1 1 272.392 2.963 20 30 CFEDMO Cc1cc(C)cc([C@@H](O)C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000784453531 628818445 /nfs/dbraw/zinc/81/84/45/628818445.db2.gz KABXYWSPQCCTCO-DLBZAZTESA-N 1 1 272.392 2.963 20 30 CFEDMO Cc1cc(C)cc([C@@H](O)C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000784453531 628818447 /nfs/dbraw/zinc/81/84/47/628818447.db2.gz KABXYWSPQCCTCO-DLBZAZTESA-N 1 1 272.392 2.963 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000852206384 634687491 /nfs/dbraw/zinc/68/74/91/634687491.db2.gz IUPIJZMMTJZVPG-KRWDZBQOSA-N 1 1 252.361 2.836 20 30 CFEDMO C#CCOCC[N@H+](CCCC)[C@@H]1CCc2ncsc2C1 ZINC000852207618 634689189 /nfs/dbraw/zinc/68/91/89/634689189.db2.gz LPULZBMUGJHLTM-CQSZACIVSA-N 1 1 292.448 2.752 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCc1ccc(F)cc1C#N ZINC000785728180 628908178 /nfs/dbraw/zinc/90/81/78/628908178.db2.gz FGCHWTNPTAOMGD-TXEJJXNPSA-N 1 1 290.338 2.613 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCc1ccc(F)cc1C#N ZINC000785728180 628908181 /nfs/dbraw/zinc/90/81/81/628908181.db2.gz FGCHWTNPTAOMGD-TXEJJXNPSA-N 1 1 290.338 2.613 20 30 CFEDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCc1cc(F)ccc1C#N ZINC000785739355 628909799 /nfs/dbraw/zinc/90/97/99/628909799.db2.gz XVSANTSRPSEXNU-RYUDHWBXSA-N 1 1 290.338 2.613 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852216835 634692863 /nfs/dbraw/zinc/69/28/63/634692863.db2.gz OASGJOAFKRFFGG-LLVKDONJSA-N 1 1 262.284 2.579 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000852216835 634692867 /nfs/dbraw/zinc/69/28/67/634692867.db2.gz OASGJOAFKRFFGG-LLVKDONJSA-N 1 1 262.284 2.579 20 30 CFEDMO CCCCCCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000787329034 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ZINC000788444853 629067630 /nfs/dbraw/zinc/06/76/30/629067630.db2.gz CCWVJRZPQKQTHV-MRXNPFEDSA-N 1 1 289.423 2.509 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)CCc2cccs2)n1 ZINC000789329974 629147802 /nfs/dbraw/zinc/14/78/02/629147802.db2.gz WBIRZWJPNIFDAV-UHFFFAOYSA-N 1 1 273.405 2.642 20 30 CFEDMO CC[C@@H](C)NN=C(C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000790183858 629216698 /nfs/dbraw/zinc/21/66/98/629216698.db2.gz WFAFDZOYOBJMMC-PBHICJAKSA-N 1 1 289.423 2.651 20 30 CFEDMO CC[C@@H](C)NN=C(C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000790183858 629216703 /nfs/dbraw/zinc/21/67/03/629216703.db2.gz WFAFDZOYOBJMMC-PBHICJAKSA-N 1 1 289.423 2.651 20 30 CFEDMO C#CC[N@@H+](C1CCCCC1)[C@H]1CCCN(C(C)C)C1=O ZINC000790270335 629224578 /nfs/dbraw/zinc/22/45/78/629224578.db2.gz JNOLMINSJIWAGQ-INIZCTEOSA-N 1 1 276.424 2.654 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1nccn1C ZINC000790302278 629228516 /nfs/dbraw/zinc/22/85/16/629228516.db2.gz LWTHZYDVROPMMW-AWEZNQCLSA-N 1 1 297.406 2.730 20 30 CFEDMO C#C[C@@H](CCC)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000791017151 629280983 /nfs/dbraw/zinc/28/09/83/629280983.db2.gz FQSZVKAMKLSLSE-CVEARBPZSA-N 1 1 293.455 2.600 20 30 CFEDMO C[C@@H]1C[C@H](C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)CCO1 ZINC000852331521 634723804 /nfs/dbraw/zinc/72/38/04/634723804.db2.gz AHZFWOXJDJXETC-NUJGCVRESA-N 1 1 299.418 2.754 20 30 CFEDMO C[C@H](C(=O)OCC#Cc1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000791391777 629307744 /nfs/dbraw/zinc/30/77/44/629307744.db2.gz OVBOJTCMPYBHIG-OWCLPIDISA-N 1 1 285.387 2.843 20 30 CFEDMO C=C(C)C[N@@H+](CCCN1CCOC1=O)Cc1ccccc1 ZINC000791567254 629334088 /nfs/dbraw/zinc/33/40/88/629334088.db2.gz ILWFJGCVJOKOHH-UHFFFAOYSA-N 1 1 288.391 2.907 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000852348285 634727694 /nfs/dbraw/zinc/72/76/94/634727694.db2.gz IFGXSXMLKWYTKQ-CQSZACIVSA-N 1 1 272.392 2.751 20 30 CFEDMO C=CC[N@H+](CCOC)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000792192536 629407806 /nfs/dbraw/zinc/40/78/06/629407806.db2.gz LOMOSBFJGWCONZ-AWEZNQCLSA-N 1 1 298.427 2.520 20 30 CFEDMO CC[N@H+](CC#Cc1ccccc1)CCc1ccccn1 ZINC000792244254 629414323 /nfs/dbraw/zinc/41/43/23/629414323.db2.gz WJCTVVXHPFTQJR-UHFFFAOYSA-N 1 1 264.372 2.998 20 30 CFEDMO C#CC[N@H+](CCC(C)(C)C(=O)OC)C1CCCCC1 ZINC000792796584 629453175 /nfs/dbraw/zinc/45/31/75/629453175.db2.gz RRVADPYINGREJR-UHFFFAOYSA-N 1 1 265.397 2.844 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cn2)C1 ZINC000852411282 634739880 /nfs/dbraw/zinc/73/98/80/634739880.db2.gz SFVKWFGPIHLPID-DOMZBBRYSA-N 1 1 264.344 2.542 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852410643 634740352 /nfs/dbraw/zinc/74/03/52/634740352.db2.gz ONUYXWSBNGNTHR-CJNGLKHVSA-N 1 1 290.363 2.916 20 30 CFEDMO C[N@H+]1CCCC(N=Nc2cccc(Cl)n2)CC1 ZINC000793161198 629494904 /nfs/dbraw/zinc/49/49/04/629494904.db2.gz IXZCCHZFMUMWGG-UHFFFAOYSA-N 1 1 252.749 2.619 20 30 CFEDMO CC[N@@H+](CC(C)C)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793486205 629555263 /nfs/dbraw/zinc/55/52/63/629555263.db2.gz LVBQWHUBSUQGFA-UHFFFAOYSA-N 1 1 287.407 2.534 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)CCN1CCc2ccccc21 ZINC000794373296 629641329 /nfs/dbraw/zinc/64/13/29/629641329.db2.gz GRMGMUKJVMLEKH-UHFFFAOYSA-N 1 1 271.408 2.921 20 30 CFEDMO Fc1cccc(Br)c1C=NNc1cc[nH+]cc1 ZINC000794529742 629655351 /nfs/dbraw/zinc/65/53/51/629655351.db2.gz GOOGIGDPSDBAOE-UHFFFAOYSA-N 1 1 294.127 2.851 20 30 CFEDMO COCCCNN=C1CCCC[C@@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000794540077 629657295 /nfs/dbraw/zinc/65/72/95/629657295.db2.gz YIFFLLVBQKHGSK-UXLLHSPISA-N 1 1 295.471 2.889 20 30 CFEDMO CN(CCC#N)c1ccc(C=[NH+]NCCC(F)(F)F)cc1 ZINC000794553755 629660723 /nfs/dbraw/zinc/66/07/23/629660723.db2.gz YKJWPFLUJOACMD-UHFFFAOYSA-N 1 1 298.312 2.912 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000794574212 629663411 /nfs/dbraw/zinc/66/34/11/629663411.db2.gz BVQXQLIZXLCRJA-ZDUSSCGKSA-N 1 1 296.208 2.826 20 30 CFEDMO CCCCC[N@H+](Cn1nc(CC#N)n(C)c1=S)C(C)C ZINC000794619348 629668813 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VWIHZGUNJIOUNF-LLVKDONJSA-N 1 1 264.196 2.542 20 30 CFEDMO C#CCC[N@@H+](CCOC)CCSCc1ccccc1 ZINC000852749447 634823179 /nfs/dbraw/zinc/82/31/79/634823179.db2.gz YNHVSNBSYGUYCF-UHFFFAOYSA-N 1 1 277.433 2.892 20 30 CFEDMO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[N@H+](CC)C[C@@H]1C ZINC000804381257 630678031 /nfs/dbraw/zinc/67/80/31/630678031.db2.gz JYKIGJVRWXKZEC-LSDHHAIUSA-N 1 1 297.443 2.510 20 30 CFEDMO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000804381257 630678032 /nfs/dbraw/zinc/67/80/32/630678032.db2.gz JYKIGJVRWXKZEC-LSDHHAIUSA-N 1 1 297.443 2.510 20 30 CFEDMO CC[N@H+]1CCC[C@H](CNc2nc(Cl)c(C#N)s2)C1 ZINC000804394934 630678995 /nfs/dbraw/zinc/67/89/95/630678995.db2.gz XCYJSBZZQZRNCQ-SECBINFHSA-N 1 1 284.816 2.812 20 30 CFEDMO C#Cc1cccc(NC(=O)N2CC[N@H+](CC)C[C@@H]2CC)c1 ZINC000836252954 630780870 /nfs/dbraw/zinc/78/08/70/630780870.db2.gz CUXSHYWOEDRRQC-INIZCTEOSA-N 1 1 285.391 2.616 20 30 CFEDMO C#C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000807879355 630917201 /nfs/dbraw/zinc/91/72/01/630917201.db2.gz ASFOIQYUXPEGCJ-YOEHRIQHSA-N 1 1 298.430 2.597 20 30 CFEDMO C#C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000807879355 630917205 /nfs/dbraw/zinc/91/72/05/630917205.db2.gz ASFOIQYUXPEGCJ-YOEHRIQHSA-N 1 1 298.430 2.597 20 30 CFEDMO C[NH+]1CCN(N=C(CCC(C)(C)C)c2cscn2)CC1 ZINC000807942733 630924558 /nfs/dbraw/zinc/92/45/58/630924558.db2.gz DZXPIRWYXFIGHL-UHFFFAOYSA-N 1 1 294.468 2.921 20 30 CFEDMO Cc1cc([N+](=O)[O-])ccc1N=NC1C[N@@H+](C2CC2)C[C@@H]1C ZINC000807989658 630932175 /nfs/dbraw/zinc/93/21/75/630932175.db2.gz MXRHWNJQBQCKPS-NSHDSACASA-N 1 1 288.351 2.785 20 30 CFEDMO CC(C)[N@@H+]1CC(N=Nc2nccnc2C2CCC2)[C@H](C)C1 ZINC000807994263 630934081 /nfs/dbraw/zinc/93/40/81/630934081.db2.gz MJQNKCGVJKTUAA-GFCCVEGCSA-N 1 1 287.411 2.872 20 30 CFEDMO C=CC[N@H+](CN1C(=O)C(C)(C)[C@@H]1c1ccncc1)C(C)C ZINC000808142426 630957732 /nfs/dbraw/zinc/95/77/32/630957732.db2.gz RRYLWTSEEUKOLM-HNNXBMFYSA-N 1 1 287.407 2.845 20 30 CFEDMO C=CC[N@@H+](CN1C(=O)C(C)(C)[C@@H]1c1ccncc1)C(C)C ZINC000808142426 630957736 /nfs/dbraw/zinc/95/77/36/630957736.db2.gz RRYLWTSEEUKOLM-HNNXBMFYSA-N 1 1 287.407 2.845 20 30 CFEDMO C#CCC1(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CCCCC1 ZINC000837192485 630972733 /nfs/dbraw/zinc/97/27/33/630972733.db2.gz QWWPLJIZSVSHAK-INIZCTEOSA-N 1 1 290.451 2.901 20 30 CFEDMO C#C[C@H](NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)C(C)(C)C ZINC000808316015 630979174 /nfs/dbraw/zinc/97/91/74/630979174.db2.gz DOYOBZGXJYJMTK-HOTGVXAUSA-N 1 1 299.418 2.520 20 30 CFEDMO C#C[C@H](NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)C(C)(C)C ZINC000808316015 630979176 /nfs/dbraw/zinc/97/91/76/630979176.db2.gz DOYOBZGXJYJMTK-HOTGVXAUSA-N 1 1 299.418 2.520 20 30 CFEDMO C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000837459110 631035644 /nfs/dbraw/zinc/03/56/44/631035644.db2.gz ZPWLJTDXCLKCSS-CRAIPNDOSA-N 1 1 296.414 2.569 20 30 CFEDMO CC(C)(C)C#CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000837489716 631046562 /nfs/dbraw/zinc/04/65/62/631046562.db2.gz RRYJAXLHGSJXFH-ZBFHGGJFSA-N 1 1 288.435 2.511 20 30 CFEDMO CC(C)C(=O)CC[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000808787273 631048108 /nfs/dbraw/zinc/04/81/08/631048108.db2.gz POFBNVJFYJOWHK-UHFFFAOYSA-N 1 1 288.391 2.622 20 30 CFEDMO C#Cc1ccc(C[N@@H+](C)CC(=O)N(C)C2CCCCC2)cc1 ZINC000809545384 631231063 /nfs/dbraw/zinc/23/10/63/631231063.db2.gz CFOSHDMZXYFPIL-UHFFFAOYSA-N 1 1 298.430 2.891 20 30 CFEDMO C#Cc1ccc(C[N@H+](C)CC(=O)N(C)C2CCCCC2)cc1 ZINC000809545384 631231069 /nfs/dbraw/zinc/23/10/69/631231069.db2.gz CFOSHDMZXYFPIL-UHFFFAOYSA-N 1 1 298.430 2.891 20 30 CFEDMO C#Cc1ccc(C[N@H+](CCC(=O)OCC)C2CC2)cc1 ZINC000809554281 631233119 /nfs/dbraw/zinc/23/31/19/631233119.db2.gz VAERDFNSJGLAJW-UHFFFAOYSA-N 1 1 271.360 2.586 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc(C)o3)C2)cc1 ZINC000809560535 631234874 /nfs/dbraw/zinc/23/48/74/631234874.db2.gz LOWZIKGUGHQPQV-INIZCTEOSA-N 1 1 281.359 2.739 20 30 CFEDMO C#Cc1ccc(C[N@H+](CCCO)CC(C)(C)C)cc1 ZINC000809569369 631237228 /nfs/dbraw/zinc/23/72/28/631237228.db2.gz ZLBGHPOSZYWMKH-UHFFFAOYSA-N 1 1 259.393 2.898 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000809632659 631251519 /nfs/dbraw/zinc/25/15/19/631251519.db2.gz UVYKZVKDBSTBQJ-IBGZPJMESA-N 1 1 295.357 2.901 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000809632660 631251694 /nfs/dbraw/zinc/25/16/94/631251694.db2.gz UVYKZVKDBSTBQJ-LJQANCHMSA-N 1 1 295.357 2.901 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc(C2OCCO2)s1 ZINC000809656488 631257270 /nfs/dbraw/zinc/25/72/70/631257270.db2.gz WYRSFLLQOVUDDA-LLVKDONJSA-N 1 1 280.393 2.729 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cnc(C2OCCO2)s1 ZINC000809656488 631257273 /nfs/dbraw/zinc/25/72/73/631257273.db2.gz WYRSFLLQOVUDDA-LLVKDONJSA-N 1 1 280.393 2.729 20 30 CFEDMO C#Cc1ccc(C[N@H+](CC2CCC2)[C@@H](C)CO)cc1 ZINC000809664508 631259647 /nfs/dbraw/zinc/25/96/47/631259647.db2.gz GNAUHULQXVFYOA-AWEZNQCLSA-N 1 1 257.377 2.651 20 30 CFEDMO CC[N@H+]1CCN(Cc2ccc(O[C@H](C)C#N)cc2)[C@@H](C)C1 ZINC000809698126 631266928 /nfs/dbraw/zinc/26/69/28/631266928.db2.gz WFEGADCTPDVODC-LSDHHAIUSA-N 1 1 287.407 2.503 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)cc1 ZINC000840977825 631292648 /nfs/dbraw/zinc/29/26/48/631292648.db2.gz KDIWLQFQUPLQSJ-IIAWOOMASA-N 1 1 288.391 2.570 20 30 CFEDMO C=C(CC)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000810037484 631317829 /nfs/dbraw/zinc/31/78/29/631317829.db2.gz PXWODKIFJMJDFL-CQSZACIVSA-N 1 1 266.385 2.696 20 30 CFEDMO CC(C)[N@@H+](C)C[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000810162901 631336714 /nfs/dbraw/zinc/33/67/14/631336714.db2.gz FSLDCLKETITBEB-GJZGRUSLSA-N 1 1 289.423 2.796 20 30 CFEDMO CC(C)[N@H+](C)C[C@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000810162901 631336720 /nfs/dbraw/zinc/33/67/20/631336720.db2.gz FSLDCLKETITBEB-GJZGRUSLSA-N 1 1 289.423 2.796 20 30 CFEDMO C#CCC(C)(C)C(=O)OC[C@H]1CCC[N@H+]1Cc1ccco1 ZINC000810641317 631415035 /nfs/dbraw/zinc/41/50/35/631415035.db2.gz WRKBRTMLHGYDNE-CQSZACIVSA-N 1 1 289.375 2.837 20 30 CFEDMO Cc1cccc2c1C(=O)/C(=C\c1c[nH+]c(N(C)C)n1C)C2 ZINC000841488046 631416347 /nfs/dbraw/zinc/41/63/47/631416347.db2.gz GFXIWUFMRXCGLA-LCYFTJDESA-N 1 1 281.359 2.617 20 30 CFEDMO COC(=O)c1ccc(N[NH2+]C(C)=C2CC2(F)F)c(OC)c1 ZINC000841633052 631437782 /nfs/dbraw/zinc/43/77/82/631437782.db2.gz RGNLSQVDQIDLLY-JTQLQIEISA-N 1 1 298.289 2.925 20 30 CFEDMO CC(CCCCC#N)=[NH+]n1cc(Br)cn1 ZINC000841634090 631438908 /nfs/dbraw/zinc/43/89/08/631438908.db2.gz VTNVMPHSKWJJIG-UHFFFAOYSA-N 1 1 269.146 2.954 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810838848 631451548 /nfs/dbraw/zinc/45/15/48/631451548.db2.gz YCMRZCPBOUWFBO-IHRRRGAJSA-N 1 1 251.370 2.759 20 30 CFEDMO CCCCCCCCNC(=O)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000841863480 631483082 /nfs/dbraw/zinc/48/30/82/631483082.db2.gz BQKSBVMYDUZEDT-OAHLLOKOSA-N 1 1 287.423 2.690 20 30 CFEDMO C#CCCOc1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000841898968 631491081 /nfs/dbraw/zinc/49/10/81/631491081.db2.gz RMAMONMEALRAHK-UHFFFAOYSA-N 1 1 268.360 2.872 20 30 CFEDMO NC(=[NH+]OC[C@@H]1CCC(F)(F)C1)c1ccc2c(c1)CCO2 ZINC000842034930 631508022 /nfs/dbraw/zinc/50/80/22/631508022.db2.gz FBZFVURXPZOUIF-SNVBAGLBSA-N 1 1 296.317 2.694 20 30 CFEDMO C[C@H]1C(N=Nc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000811646590 631591780 /nfs/dbraw/zinc/59/17/80/631591780.db2.gz FCHMVXIHROYXHD-AWEZNQCLSA-N 1 1 280.375 2.566 20 30 CFEDMO C=C(C)CNN=C1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000811650943 631593671 /nfs/dbraw/zinc/59/36/71/631593671.db2.gz XVYLASVQMZCAGC-AWEZNQCLSA-N 1 1 257.381 2.803 20 30 CFEDMO C=C(C)CNN=C1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000811650943 631593674 /nfs/dbraw/zinc/59/36/74/631593674.db2.gz XVYLASVQMZCAGC-AWEZNQCLSA-N 1 1 257.381 2.803 20 30 CFEDMO CC(C)CC(=NNc1cc[nH+]cc1)c1ccncc1 ZINC000842530172 631653641 /nfs/dbraw/zinc/65/36/41/631653641.db2.gz PXZRLRGTVHYJDZ-UHFFFAOYSA-N 1 1 254.337 2.761 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](CN2CCC(CC)(CC)C2=O)C1 ZINC000842629872 631658572 /nfs/dbraw/zinc/65/85/72/631658572.db2.gz SLYBNBBSAGOLCH-OAHLLOKOSA-N 1 1 276.424 2.718 20 30 CFEDMO C#CCON=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000812234501 631673567 /nfs/dbraw/zinc/67/35/67/631673567.db2.gz LKFJPIHWSFUZKA-IAGOWNOFSA-N 1 1 282.387 2.924 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@](C)(Cc2ccccc2)CC1=O ZINC000842604178 631679258 /nfs/dbraw/zinc/67/92/58/631679258.db2.gz YYRACIYAQNSSCV-GOSISDBHSA-N 1 1 286.419 2.933 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](CN2CCN(c3ccccc3)C2=O)C1 ZINC000842630055 631685118 /nfs/dbraw/zinc/68/51/18/631685118.db2.gz WJRJVMHCVKSKTD-MRXNPFEDSA-N 1 1 297.402 2.621 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](CN2C[C@H](C3CCCC3)CC2=O)C1 ZINC000842629136 631685728 /nfs/dbraw/zinc/68/57/28/631685728.db2.gz JVTSHUUQDPZBDI-NVXWUHKLSA-N 1 1 288.435 2.718 20 30 CFEDMO C=CCc1cc(C[N@H+](CC)[C@@H]2CCOC2)c(O)c(OC)c1 ZINC000812295047 631685751 /nfs/dbraw/zinc/68/57/51/631685751.db2.gz DKDHJXLICSSTOP-OAHLLOKOSA-N 1 1 291.391 2.740 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H](COC(=O)c2ccc(C#N)s2)C1 ZINC000842832470 631756624 /nfs/dbraw/zinc/75/66/24/631756624.db2.gz UMIRHGBYWAHOMP-GFCCVEGCSA-N 1 1 292.404 2.897 20 30 CFEDMO CC[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCOC1 ZINC000812879891 631800901 /nfs/dbraw/zinc/80/09/01/631800901.db2.gz VOBYYIXKFFEBLW-CQSZACIVSA-N 1 1 294.782 2.853 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000843062299 631824506 /nfs/dbraw/zinc/82/45/06/631824506.db2.gz HHMPKYAKWRPPFY-RDTXWAMCSA-N 1 1 293.370 2.906 20 30 CFEDMO C#CC[N@H+](CC(=O)N(C(C)C)C(C)C)C1CCCC1 ZINC000155808831 650033302 /nfs/dbraw/zinc/03/33/02/650033302.db2.gz INKMFIZTPMPOGO-UHFFFAOYSA-N 1 1 264.413 2.510 20 30 CFEDMO C#CC[N@@H+](CC(=O)Nc1ccc(C)cc1)C1CCCC1 ZINC000155909893 650036985 /nfs/dbraw/zinc/03/69/85/650036985.db2.gz MYUWCWZGCHFRLT-UHFFFAOYSA-N 1 1 270.376 2.811 20 30 CFEDMO C#CC[N@H+](CC(=O)Nc1ccc(C)cc1)C1CCCC1 ZINC000155909893 650036988 /nfs/dbraw/zinc/03/69/88/650036988.db2.gz MYUWCWZGCHFRLT-UHFFFAOYSA-N 1 1 270.376 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/nfs/dbraw/zinc/22/48/88/651224888.db2.gz SXDDKNATSGPCPP-LLVKDONJSA-N 1 1 296.823 2.537 20 30 CFEDMO N#CCCCn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000864625232 638051980 /nfs/dbraw/zinc/05/19/80/638051980.db2.gz JMMVUTAIBIKJJX-QGZVFWFLSA-N 1 1 295.390 2.749 20 30 CFEDMO CC[C@@H]1[C@@H](C(=O)N(CCC#N)c2ccc(C)cc2)CC[N@H+]1C ZINC000865039905 638168210 /nfs/dbraw/zinc/16/82/10/638168210.db2.gz GKOZYINJTKQGLY-DLBZAZTESA-N 1 1 299.418 2.972 20 30 CFEDMO N#Cc1cccc(C2([NH2+]Cc3cn(C4CC4)cn3)CC2)c1 ZINC000865508105 638386408 /nfs/dbraw/zinc/38/64/08/638386408.db2.gz FEVRATPTIJDKIF-UHFFFAOYSA-N 1 1 278.359 2.869 20 30 CFEDMO CCc1noc(C)c1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865578596 638435285 /nfs/dbraw/zinc/43/52/85/638435285.db2.gz CJHCIBZNFJXDOV-UHFFFAOYSA-N 1 1 298.390 2.773 20 30 CFEDMO Cc1cc(N(C)CCc2cccc(C#N)c2)nc(C)[nH+]1 ZINC000866124265 638748941 /nfs/dbraw/zinc/74/89/41/638748941.db2.gz LBKIBRPBHBWDCI-UHFFFAOYSA-N 1 1 266.348 2.644 20 30 CFEDMO CCc1nc(C#N)cc(NC[C@H]2c3ccccc3C[N@H+]2C)n1 ZINC000866193217 638766805 /nfs/dbraw/zinc/76/68/05/638766805.db2.gz BLWCWUAMYRBVFT-HNNXBMFYSA-N 1 1 293.374 2.509 20 30 CFEDMO CCc1nc(C#N)cc(NC[C@H]2c3ccccc3C[N@@H+]2C)n1 ZINC000866193217 638766806 /nfs/dbraw/zinc/76/68/06/638766806.db2.gz BLWCWUAMYRBVFT-HNNXBMFYSA-N 1 1 293.374 2.509 20 30 CFEDMO CCc1nc(C#N)cc(NC[C@@H]2c3ccccc3C[N@H+]2C)n1 ZINC000866193219 638766927 /nfs/dbraw/zinc/76/69/27/638766927.db2.gz BLWCWUAMYRBVFT-OAHLLOKOSA-N 1 1 293.374 2.509 20 30 CFEDMO CCc1nc(C#N)cc(NC[C@@H]2c3ccccc3C[N@@H+]2C)n1 ZINC000866193219 638766928 /nfs/dbraw/zinc/76/69/28/638766928.db2.gz BLWCWUAMYRBVFT-OAHLLOKOSA-N 1 1 293.374 2.509 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1cnccc1C#N ZINC000866195493 638767702 /nfs/dbraw/zinc/76/77/02/638767702.db2.gz WBBYJHMUSCJDES-INIZCTEOSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1cnccc1C#N ZINC000866195493 638767705 /nfs/dbraw/zinc/76/77/05/638767705.db2.gz WBBYJHMUSCJDES-INIZCTEOSA-N 1 1 264.332 2.552 20 30 CFEDMO CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866240767 638777734 /nfs/dbraw/zinc/77/77/34/638777734.db2.gz MXOWORAYVASSGI-KBPBESRZSA-N 1 1 287.407 2.646 20 30 CFEDMO Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(C#N)c1[O-] ZINC000866272249 638786009 /nfs/dbraw/zinc/78/60/09/638786009.db2.gz LTVPVUHEHAJGPH-ZDUSSCGKSA-N 1 1 298.390 2.900 20 30 CFEDMO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866278398 638787863 /nfs/dbraw/zinc/78/78/63/638787863.db2.gz YWUUYECKFFUCHH-DYVFJYSZSA-N 1 1 296.370 2.957 20 30 CFEDMO Cc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866278400 638787868 /nfs/dbraw/zinc/78/78/68/638787868.db2.gz YWUUYECKFFUCHH-SUMWQHHRSA-N 1 1 296.370 2.957 20 30 CFEDMO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1cccc(C#N)c1O ZINC000866339795 638799228 /nfs/dbraw/zinc/79/92/28/638799228.db2.gz FCMGCJIXNZHMJP-QMTHXVAHSA-N 1 1 288.372 2.710 20 30 CFEDMO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000866367974 638806417 /nfs/dbraw/zinc/80/64/17/638806417.db2.gz SCADBUKUJZYBKS-NYTXWWLZSA-N 1 1 277.339 2.781 20 30 CFEDMO C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1[O-] ZINC000866400348 638815138 /nfs/dbraw/zinc/81/51/38/638815138.db2.gz YXRXGUINCIZJRA-ZIAGYGMSSA-N 1 1 287.407 2.646 20 30 CFEDMO C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1[O-] ZINC000866400346 638815402 /nfs/dbraw/zinc/81/54/02/638815402.db2.gz YXRXGUINCIZJRA-KGLIPLIRSA-N 1 1 287.407 2.646 20 30 CFEDMO C=CCC[C@@H](N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccco1 ZINC000866412680 638817340 /nfs/dbraw/zinc/81/73/40/638817340.db2.gz LVKARHVVRPTYBC-LSDHHAIUSA-N 1 1 292.423 2.722 20 30 CFEDMO C=CCC[C@@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccco1 ZINC000866412680 638817342 /nfs/dbraw/zinc/81/73/42/638817342.db2.gz LVKARHVVRPTYBC-LSDHHAIUSA-N 1 1 292.423 2.722 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000866586030 638849939 /nfs/dbraw/zinc/84/99/39/638849939.db2.gz ZKWGGAUWABIHRR-XYPHTWIQSA-N 1 1 269.392 2.645 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cccc(C#N)c1O ZINC000866632799 638858200 /nfs/dbraw/zinc/85/82/00/638858200.db2.gz BSEAPZOWGXBHLT-SMDDNHRTSA-N 1 1 282.347 2.646 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCO[C@@](C)(CC)C2)cc1 ZINC000191149527 650480804 /nfs/dbraw/zinc/48/08/04/650480804.db2.gz NMTBAANBAHYWEB-KRWDZBQOSA-N 1 1 273.376 2.700 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCO[C@@](C)(CC)C2)cc1 ZINC000191149527 650480805 /nfs/dbraw/zinc/48/08/05/650480805.db2.gz NMTBAANBAHYWEB-KRWDZBQOSA-N 1 1 273.376 2.700 20 30 CFEDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CCCC#N)CC1 ZINC000870121859 639522057 /nfs/dbraw/zinc/52/20/57/639522057.db2.gz CIEBVBNIXGZYKY-OAHLLOKOSA-N 1 1 285.391 2.586 20 30 CFEDMO C#CC[N@@H+](C)CCc1cccc(OC(F)(F)F)c1 ZINC000192226616 650549926 /nfs/dbraw/zinc/54/99/26/650549926.db2.gz OFMPAMXTTKKMFL-UHFFFAOYSA-N 1 1 257.255 2.693 20 30 CFEDMO C#CCC(C)(C)C(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000870908617 641116569 /nfs/dbraw/zinc/11/65/69/641116569.db2.gz RVNFLNZRPVOZKU-KRWDZBQOSA-N 1 1 298.430 2.735 20 30 CFEDMO N#CC1(CC(=O)Nc2cc[nH+]c(N3CCCCC3)c2)CC1 ZINC000888575940 641323688 /nfs/dbraw/zinc/32/36/88/641323688.db2.gz DBAPSHLJUBUPKM-UHFFFAOYSA-N 1 1 284.363 2.704 20 30 CFEDMO N#Cc1ccc(CO[NH+]=C(N)C2CCC2)c(OC(F)F)c1 ZINC000871766528 641449221 /nfs/dbraw/zinc/44/92/21/641449221.db2.gz UOHBDWOSLRLYHW-UHFFFAOYSA-N 1 1 295.289 2.958 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ncccc2CC)no1 ZINC000872174050 641693603 /nfs/dbraw/zinc/69/36/03/641693603.db2.gz BZOXQEKITLAQRV-SNVBAGLBSA-N 1 1 278.743 2.836 20 30 CFEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1cc2cnccc2o1 ZINC000872240430 641713537 /nfs/dbraw/zinc/71/35/37/641713537.db2.gz QIGVOUKFSXJDCJ-NWDGAFQWSA-N 1 1 268.320 2.922 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCN(C)c3ncccc3C2)cc1 ZINC000872267343 641727337 /nfs/dbraw/zinc/72/73/37/641727337.db2.gz OESHLDVPYIVVKQ-UHFFFAOYSA-N 1 1 277.371 2.515 20 30 CFEDMO Fc1ccc(N=NC2CCC[N@@H+]3CCSC[C@@H]23)c(F)c1 ZINC000872325616 641756013 /nfs/dbraw/zinc/75/60/13/641756013.db2.gz ZCERKCLEQMIUOW-AWEZNQCLSA-N 1 1 297.374 2.944 20 30 CFEDMO Fc1ccc(N=NC2CCC[N@H+]3CCSC[C@@H]23)c(F)c1 ZINC000872325616 641756018 /nfs/dbraw/zinc/75/60/18/641756018.db2.gz ZCERKCLEQMIUOW-AWEZNQCLSA-N 1 1 297.374 2.944 20 30 CFEDMO Nc1ccc2c(n1)CCCC2=[NH+]NC[C@@H]1CCCC1(F)F ZINC000872406662 641795855 /nfs/dbraw/zinc/79/58/55/641795855.db2.gz XSZKXEGQFUKYIC-JTQLQIEISA-N 1 1 294.349 2.729 20 30 CFEDMO Nc1ccc2c(n1)CCCC2=[NH+]NC[C@H]1CCCC1(F)F ZINC000872406665 641795960 /nfs/dbraw/zinc/79/59/60/641795960.db2.gz XSZKXEGQFUKYIC-SNVBAGLBSA-N 1 1 294.349 2.729 20 30 CFEDMO C=CC[N@H+](CN1CCC2(CCCC2)C1=O)C(C)C ZINC000872566682 641858775 /nfs/dbraw/zinc/85/87/75/641858775.db2.gz SUFLMPZYTHESGW-UHFFFAOYSA-N 1 1 250.386 2.633 20 30 CFEDMO C=CC[N@@H+](CN1CCC2(CCCC2)C1=O)C(C)C ZINC000872566682 641858779 /nfs/dbraw/zinc/85/87/79/641858779.db2.gz SUFLMPZYTHESGW-UHFFFAOYSA-N 1 1 250.386 2.633 20 30 CFEDMO N#Cc1cccn(C[N@@H+]2CCC[C@@H](C3CCC3)CC2)c1=O ZINC000872701198 641903567 /nfs/dbraw/zinc/90/35/67/641903567.db2.gz NRNPYMWXZZJCSD-OAHLLOKOSA-N 1 1 285.391 2.580 20 30 CFEDMO N#Cc1cccn(C[N@H+]2CCC[C@@H](C3CCC3)CC2)c1=O ZINC000872701198 641903571 /nfs/dbraw/zinc/90/35/71/641903571.db2.gz NRNPYMWXZZJCSD-OAHLLOKOSA-N 1 1 285.391 2.580 20 30 CFEDMO Cc1ccc(N(CCC#N)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000874246216 642355446 /nfs/dbraw/zinc/35/54/46/642355446.db2.gz BBGBCSUDMPONHQ-HNNXBMFYSA-N 1 1 285.391 2.584 20 30 CFEDMO CCCCCCCNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000875765637 642683950 /nfs/dbraw/zinc/68/39/50/642683950.db2.gz UTGHJMPVOTVNGY-HNNXBMFYSA-N 1 1 281.444 2.835 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000876320143 642822221 /nfs/dbraw/zinc/82/22/21/642822221.db2.gz BPAUKCOPXZBZFE-HUUCEWRRSA-N 1 1 295.471 2.960 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000876320156 642822724 /nfs/dbraw/zinc/82/27/24/642822724.db2.gz CDAWAXKNDBKBFJ-OAHLLOKOSA-N 1 1 295.471 2.962 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000876320914 642823534 /nfs/dbraw/zinc/82/35/34/642823534.db2.gz TYAZAISOGXEAPN-UHFFFAOYSA-N 1 1 281.444 2.716 20 30 CFEDMO C#CCCCCCC[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000876597199 642939826 /nfs/dbraw/zinc/93/98/26/642939826.db2.gz MRSXISWIPDOEPJ-INIZCTEOSA-N 1 1 250.430 2.844 20 30 CFEDMO C#CCCCCCC[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000876597199 642939831 /nfs/dbraw/zinc/93/98/31/642939831.db2.gz MRSXISWIPDOEPJ-INIZCTEOSA-N 1 1 250.430 2.844 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000876635874 642952637 /nfs/dbraw/zinc/95/26/37/642952637.db2.gz LAZGYZABKHCMQB-STQMWFEESA-N 1 1 281.400 2.525 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)C[C@@H](C)O1 ZINC000876639363 642954626 /nfs/dbraw/zinc/95/46/26/642954626.db2.gz URPAKQSLEPYNOD-CZUORRHYSA-N 1 1 287.407 2.624 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)C[C@@H](C)O1 ZINC000876639363 642954629 /nfs/dbraw/zinc/95/46/29/642954629.db2.gz URPAKQSLEPYNOD-CZUORRHYSA-N 1 1 287.407 2.624 20 30 CFEDMO C#CC[N@@H+](Cc1cccc(C#N)n1)C1CCCCC1 ZINC000876643460 642956232 /nfs/dbraw/zinc/95/62/32/642956232.db2.gz YOGSWSWESPONGT-UHFFFAOYSA-N 1 1 253.349 2.721 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000876782099 643007185 /nfs/dbraw/zinc/00/71/85/643007185.db2.gz OKXCITJYSZLFCK-OAHLLOKOSA-N 1 1 269.392 2.856 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000876804483 643017126 /nfs/dbraw/zinc/01/71/26/643017126.db2.gz PPHZBKBDZOUUQB-QAPCUYQASA-N 1 1 299.418 2.625 20 30 CFEDMO C#CCCCCCC[N@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000876809680 643017919 /nfs/dbraw/zinc/01/79/19/643017919.db2.gz WYNLPORDGJVMPZ-MRXNPFEDSA-N 1 1 289.423 2.984 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000876809680 643017927 /nfs/dbraw/zinc/01/79/27/643017927.db2.gz WYNLPORDGJVMPZ-MRXNPFEDSA-N 1 1 289.423 2.984 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000876816613 643022941 /nfs/dbraw/zinc/02/29/41/643022941.db2.gz MUGFGZGEWQTTQF-HOTGVXAUSA-N 1 1 276.424 2.561 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000876815788 643024094 /nfs/dbraw/zinc/02/40/94/643024094.db2.gz CZWNMTKYZJFFRU-WMLDXEAASA-N 1 1 283.375 2.871 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000876815788 643024099 /nfs/dbraw/zinc/02/40/99/643024099.db2.gz CZWNMTKYZJFFRU-WMLDXEAASA-N 1 1 283.375 2.871 20 30 CFEDMO C#CCCCCCC[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000876879129 643047283 /nfs/dbraw/zinc/04/72/83/643047283.db2.gz NVEYMHKCQJAJLU-ZDUSSCGKSA-N 1 1 253.386 2.890 20 30 CFEDMO C[C@H](C[NH2+]Cc1cc(C#N)cnc1Cl)N1CCCCC1 ZINC000876956003 643078842 /nfs/dbraw/zinc/07/88/42/643078842.db2.gz DLPOFVJDVCNKLN-GFCCVEGCSA-N 1 1 292.814 2.571 20 30 CFEDMO C[C@@H](C[NH2+]Cc1cc(C#N)cnc1Cl)N1CCCCC1 ZINC000876956004 643080136 /nfs/dbraw/zinc/08/01/36/643080136.db2.gz DLPOFVJDVCNKLN-LBPRGKRZSA-N 1 1 292.814 2.571 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H]2CCCO2)cc1 ZINC000245510688 650818793 /nfs/dbraw/zinc/81/87/93/650818793.db2.gz WRMXKSMCVAGPSY-XJKSGUPXSA-N 1 1 274.364 2.588 20 30 CFEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)C[C@H]1CCCC[C@@H]1O ZINC000877166727 643184979 /nfs/dbraw/zinc/18/49/79/643184979.db2.gz GOKQVMZFBIHQPT-OCCSQVGLSA-N 1 1 293.798 2.590 20 30 CFEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)C[C@H]1CCCC[C@@H]1O ZINC000877166727 643184984 /nfs/dbraw/zinc/18/49/84/643184984.db2.gz GOKQVMZFBIHQPT-OCCSQVGLSA-N 1 1 293.798 2.590 20 30 CFEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)C[C@@H]1CCCC[C@H]1O ZINC000877166725 643185461 /nfs/dbraw/zinc/18/54/61/643185461.db2.gz GOKQVMZFBIHQPT-GXTWGEPZSA-N 1 1 293.798 2.590 20 30 CFEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)C[C@@H]1CCCC[C@H]1O ZINC000877166725 643185470 /nfs/dbraw/zinc/18/54/70/643185470.db2.gz GOKQVMZFBIHQPT-GXTWGEPZSA-N 1 1 293.798 2.590 20 30 CFEDMO CC(C)(C#N)C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000877322709 643237801 /nfs/dbraw/zinc/23/78/01/643237801.db2.gz BYEBLUJRDPEXBA-UHFFFAOYSA-N 1 1 285.391 2.562 20 30 CFEDMO C[C@@H](C#N)C[NH2+]Cc1cn(C)nc1-c1cc(F)ccc1F ZINC000877321346 643238265 /nfs/dbraw/zinc/23/82/65/643238265.db2.gz JBNLQSMPORFDOD-JTQLQIEISA-N 1 1 290.317 2.615 20 30 CFEDMO COC[C@H]1CCCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877396449 643258688 /nfs/dbraw/zinc/25/86/88/643258688.db2.gz XIGRXROJURBOLT-LBPRGKRZSA-N 1 1 293.798 2.855 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000877457895 643280160 /nfs/dbraw/zinc/28/01/60/643280160.db2.gz FYWCLVRTPYLLOY-UHFFFAOYSA-N 1 1 276.424 2.514 20 30 CFEDMO C=CCC[N@H+](C)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000877463878 643284118 /nfs/dbraw/zinc/28/41/18/643284118.db2.gz FCUDEUGWALIYPJ-UHFFFAOYSA-N 1 1 280.412 2.894 20 30 CFEDMO C#CCCCCCC[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000877486287 643301912 /nfs/dbraw/zinc/30/19/12/643301912.db2.gz LPKWMFOSQVPPJH-GVDBMIGSSA-N 1 1 279.424 2.838 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)NCc1cc(C#N)cnc1Cl ZINC000877537473 643339537 /nfs/dbraw/zinc/33/95/37/643339537.db2.gz MLFXDLWXGBOKJX-LBPRGKRZSA-N 1 1 294.830 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289.335 2.948 20 30 CFEDMO COc1ccc(C[NH2+]CC(C)(C)C#N)c(C)c1OC ZINC000348218447 778681275 /nfs/dbraw/zinc/68/12/75/778681275.db2.gz JQCCVSXGKNDRAS-UHFFFAOYSA-N 1 1 262.353 2.652 20 30 CFEDMO CCC[C@@H]1CNCC[N@@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001236132385 778707608 /nfs/dbraw/zinc/70/76/08/778707608.db2.gz JBINZRPEJQYEBZ-OAHLLOKOSA-N 1 1 282.391 2.613 20 30 CFEDMO CCC[C@@H]1CNCC[N@H+]1Cc1c[nH]c2cc(C#N)ccc12 ZINC001236132385 778707610 /nfs/dbraw/zinc/70/76/10/778707610.db2.gz JBINZRPEJQYEBZ-OAHLLOKOSA-N 1 1 282.391 2.613 20 30 CFEDMO C=CCCCCCCC[N@@H+]1CCC[C@@H]([C@@H](N)C(=O)OC)C1 ZINC001236277998 778759329 /nfs/dbraw/zinc/75/93/29/778759329.db2.gz VIKVEDVDRGLYEX-HZPDHXFCSA-N 1 1 296.455 2.725 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc([C@H]3C[C@H]3C)o2)C1 ZINC001030302583 778834124 /nfs/dbraw/zinc/83/41/24/778834124.db2.gz LTLNOYCCQXQTPX-OCCSQVGLSA-N 1 1 288.391 2.783 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2coc3ccc(CC)cc23)C1 ZINC001030315144 778834892 /nfs/dbraw/zinc/83/48/92/778834892.db2.gz 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CFEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c(C)cc(F)cc2C)C1 ZINC001033320473 780651044 /nfs/dbraw/zinc/65/10/44/780651044.db2.gz JWZPUSCBQLIQSK-OAHLLOKOSA-N 1 1 290.382 2.775 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC2(C)C)C1 ZINC001033339493 780661148 /nfs/dbraw/zinc/66/11/48/780661148.db2.gz VUXDFWGMEJIINM-GJZGRUSLSA-N 1 1 278.440 2.922 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cc[nH]c2CCC)C1 ZINC001033344387 780662655 /nfs/dbraw/zinc/66/26/55/780662655.db2.gz QTJFUDQYJVIEAL-CQSZACIVSA-N 1 1 289.423 2.690 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)c2coc(C(F)F)c2)C1 ZINC001033363834 780665643 /nfs/dbraw/zinc/66/56/43/780665643.db2.gz VQXZQGDALUHUOO-GFCCVEGCSA-N 1 1 298.333 2.940 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2nc(Cl)cs2)C1 ZINC001033369894 780667090 /nfs/dbraw/zinc/66/70/90/780667090.db2.gz OKRKVRKFFMFLIF-SNVBAGLBSA-N 1 1 299.827 2.519 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC)C1 ZINC001033376275 780669282 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ZINC001033679197 780746935 /nfs/dbraw/zinc/74/69/35/780746935.db2.gz JWLBOEBUGBSBTE-CZUORRHYSA-N 1 1 290.382 2.648 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C3CC3)c2)C1 ZINC001033693324 780750415 /nfs/dbraw/zinc/75/04/15/780750415.db2.gz SLRDBRBSKFANFK-KRWDZBQOSA-N 1 1 284.403 2.896 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C2(C)CCC(C)CC2)C1 ZINC001033697540 780751636 /nfs/dbraw/zinc/75/16/36/780751636.db2.gz HOVCKJSXGMPCCQ-PQUAAJSLSA-N 1 1 290.451 2.759 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C2CCC(C)(C)CC2)C1 ZINC001033695081 780752139 /nfs/dbraw/zinc/75/21/39/780752139.db2.gz WTWQUSNRMILVSF-INIZCTEOSA-N 1 1 290.451 2.759 20 30 CFEDMO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001033697459 780752389 /nfs/dbraw/zinc/75/23/89/780752389.db2.gz VVAUQXOJZFQHHY-HZPDHXFCSA-N 1 1 290.451 2.759 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)c2c[nH]c3ccc(C)cc32)C1 ZINC001033689854 780754471 /nfs/dbraw/zinc/75/44/71/780754471.db2.gz AGOSKMOOTKZZCW-CQSZACIVSA-N 1 1 297.402 2.809 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001033705222 780756738 /nfs/dbraw/zinc/75/67/38/780756738.db2.gz QREOJVXKTSCRFB-NRXISQOPSA-N 1 1 278.440 2.777 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CCCCC2(C)C)C1 ZINC001033711183 780758490 /nfs/dbraw/zinc/75/84/90/780758490.db2.gz MWVZXNRHORCIDV-CVEARBPZSA-N 1 1 290.451 2.759 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(c3ccccc3C)CC2)C1 ZINC001033712932 780760657 /nfs/dbraw/zinc/76/06/57/780760657.db2.gz MRIZERSCWNONDM-MRXNPFEDSA-N 1 1 298.430 2.745 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccccc2F)C1 ZINC001033733697 780768411 /nfs/dbraw/zinc/76/84/11/780768411.db2.gz GMYOCZLBCGRLEU-AWEZNQCLSA-N 1 1 290.382 2.938 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2scnc2C)C1 ZINC001033765975 780782215 /nfs/dbraw/zinc/78/22/15/780782215.db2.gz UAZOGSVFVVKGSH-CYBMUJFWSA-N 1 1 293.436 2.564 20 30 CFEDMO C[N@@H+]1CC=C(c2cc(OC(F)F)ccc2C#N)CC1 ZINC001241330041 780785106 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C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC2(F)F)C1 ZINC001033873698 780816323 /nfs/dbraw/zinc/81/63/23/780816323.db2.gz UYUUQHQLNPEYIE-OLZOCXBDSA-N 1 1 286.366 2.531 20 30 CFEDMO C#Cc1ccc(C(=O)N(CC)[C@@H]2CC[N@@H+](CCC=C)C2)cc1 ZINC001033923321 780827358 /nfs/dbraw/zinc/82/73/58/780827358.db2.gz QWLURTRMBIPGMS-GOSISDBHSA-N 1 1 296.414 2.780 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccn(CC)c2C)C1 ZINC001033932626 780828816 /nfs/dbraw/zinc/82/88/16/780828816.db2.gz QICBIERDGCKOOX-OAHLLOKOSA-N 1 1 289.423 2.539 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCC(F)CC2)C1 ZINC001033951559 780835759 /nfs/dbraw/zinc/83/57/59/780835759.db2.gz XGKAKZKSLGWXEE-NRXISQOPSA-N 1 1 282.403 2.624 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)co2)C1 ZINC001033942057 780838751 /nfs/dbraw/zinc/83/87/51/780838751.db2.gz UONZVKKZAFCLNN-AWEZNQCLSA-N 1 1 276.380 2.701 20 30 CFEDMO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@H+](CCF)C2)CC1 ZINC001033945916 780842250 /nfs/dbraw/zinc/84/22/50/780842250.db2.gz RHZXTRVCLKZDKC-OAHLLOKOSA-N 1 1 282.403 2.625 20 30 CFEDMO C=C1CCC(C(=O)N(CC)[C@@H]2CC[N@@H+](CCF)C2)CC1 ZINC001033945916 780842257 /nfs/dbraw/zinc/84/22/57/780842257.db2.gz RHZXTRVCLKZDKC-OAHLLOKOSA-N 1 1 282.403 2.625 20 30 CFEDMO CCC[NH+]1CCC([NH2+]Cc2ccc(C)c(C#N)c2)CC1 ZINC000701824992 780842993 /nfs/dbraw/zinc/84/29/93/780842993.db2.gz BXWUCYREIBDUQV-UHFFFAOYSA-N 1 1 271.408 2.831 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CCC3)C1 ZINC001033972952 780843840 /nfs/dbraw/zinc/84/38/40/780843840.db2.gz UQGVCZATYQVOJQ-CABCVRRESA-N 1 1 276.424 2.676 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033962711 780845374 /nfs/dbraw/zinc/84/53/74/780845374.db2.gz YKLYIOHDHJOUCP-CQSZACIVSA-N 1 1 297.402 2.890 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC23CC3)C1 ZINC001033975937 780845953 /nfs/dbraw/zinc/84/59/53/780845953.db2.gz QRYQUQXFQUFRJR-GJZGRUSLSA-N 1 1 276.424 2.676 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CC(C)C)C1 ZINC001033961089 780846060 /nfs/dbraw/zinc/84/60/60/780846060.db2.gz OOCHLXOPHOYFCR-OWCLPIDISA-N 1 1 278.440 2.777 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2csc(Cl)n2)C1 ZINC001034009750 780853704 /nfs/dbraw/zinc/85/37/04/780853704.db2.gz RBOXCVJTBKRPRO-SNVBAGLBSA-N 1 1 299.827 2.519 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(C(C)C)c2)C1 ZINC001034006707 780856419 /nfs/dbraw/zinc/85/64/19/780856419.db2.gz CVRXAUQGNRILHO-SFHVURJKSA-N 1 1 298.430 2.980 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(F)cc2C)C1 ZINC001034028590 780859615 /nfs/dbraw/zinc/85/96/15/780859615.db2.gz HJMNLSQBJIQAJB-HNNXBMFYSA-N 1 1 290.382 2.857 20 30 CFEDMO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccc(Cl)cc2)C1 ZINC001034030743 780860005 /nfs/dbraw/zinc/86/00/05/780860005.db2.gz UWIFPYOIMMYIOI-OAHLLOKOSA-N 1 1 290.794 2.510 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(Cl)cc2)C1 ZINC001034030743 780860009 /nfs/dbraw/zinc/86/00/09/780860009.db2.gz UWIFPYOIMMYIOI-OAHLLOKOSA-N 1 1 290.794 2.510 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C)c2C)C1 ZINC001034034735 780862427 /nfs/dbraw/zinc/86/24/27/780862427.db2.gz NEWJYYFXJMLEOU-QGZVFWFLSA-N 1 1 298.430 2.863 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccc(F)cc2)C1 ZINC001034071704 780877816 /nfs/dbraw/zinc/87/78/16/780877816.db2.gz KORRCDIQAVTXQC-INIZCTEOSA-N 1 1 290.382 2.986 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)Cc2cccs2)C1 ZINC001034078450 780880314 /nfs/dbraw/zinc/88/03/14/780880314.db2.gz OXDJPVXTWUWYAZ-AWEZNQCLSA-N 1 1 292.448 2.837 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001034082560 780882472 /nfs/dbraw/zinc/88/24/72/780882472.db2.gz KEIHSWGEDILDPU-QGZVFWFLSA-N 1 1 284.403 2.603 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001034088596 780884069 /nfs/dbraw/zinc/88/40/69/780884069.db2.gz AKDOGFBUAOAYAK-MRXNPFEDSA-N 1 1 276.424 2.561 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)Cc2ccsc2)C1 ZINC001034089540 780884435 /nfs/dbraw/zinc/88/44/35/780884435.db2.gz DEBCKDQUOOPICE-HNNXBMFYSA-N 1 1 292.448 2.837 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccccc2)C1 ZINC001034083603 780884472 /nfs/dbraw/zinc/88/44/72/780884472.db2.gz SWCLVSHLFMUYTL-INIZCTEOSA-N 1 1 272.392 2.847 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2occc2C)C1 ZINC001034105760 780894352 /nfs/dbraw/zinc/89/43/52/780894352.db2.gz UYHMTUFXFLUSKK-CQSZACIVSA-N 1 1 276.380 2.748 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2O)C1 ZINC001034110682 780896432 /nfs/dbraw/zinc/89/64/32/780896432.db2.gz QCEAFFKURVWDMK-CQSZACIVSA-N 1 1 288.391 2.553 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C=C2CCCCC2)C1 ZINC001034127813 780901147 /nfs/dbraw/zinc/90/11/47/780901147.db2.gz NNRQXACPOFYYJU-QGZVFWFLSA-N 1 1 288.435 2.871 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C2CC(C)C2)C1 ZINC001034156087 780903408 /nfs/dbraw/zinc/90/34/08/780903408.db2.gz SIMMGINIOYIRAA-UBHUBRDASA-N 1 1 284.831 2.756 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C2CC(C)C2)C1 ZINC001034156087 780903413 /nfs/dbraw/zinc/90/34/13/780903413.db2.gz SIMMGINIOYIRAA-UBHUBRDASA-N 1 1 284.831 2.756 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1c(Cl)c(C)nn1C)C(C)(C)C ZINC000702291504 780903439 /nfs/dbraw/zinc/90/34/39/780903439.db2.gz HAGMMDWUBQOHER-LLVKDONJSA-N 1 1 253.777 2.519 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001034157068 780904910 /nfs/dbraw/zinc/90/49/10/780904910.db2.gz XPHSVKXDKXBKNS-KRWDZBQOSA-N 1 1 288.435 2.871 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001034145992 780906253 /nfs/dbraw/zinc/90/62/53/780906253.db2.gz IFJNHDRMNRRWIB-NCOADZHNSA-N 1 1 290.451 2.969 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)Cc2ccc(C)o2)C1 ZINC001034173843 780910544 /nfs/dbraw/zinc/91/05/44/780910544.db2.gz WRQCYZPISNGTJX-OAHLLOKOSA-N 1 1 290.407 2.677 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001034166531 780913331 /nfs/dbraw/zinc/91/33/31/780913331.db2.gz XWWWIGDSOIHKRR-HZPDHXFCSA-N 1 1 289.423 2.596 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001034166006 780913582 /nfs/dbraw/zinc/91/35/82/780913582.db2.gz YWSXNTKNMSQZIA-ZFWWWQNUSA-N 1 1 264.413 2.579 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001034167778 780914126 /nfs/dbraw/zinc/91/41/26/780914126.db2.gz OJNSRJLAPDAQCH-KBPBESRZSA-N 1 1 264.413 2.579 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cc(C)sn2)C1 ZINC001034184300 780917517 /nfs/dbraw/zinc/91/75/17/780917517.db2.gz ONHIZALSCUQXKC-ZDUSSCGKSA-N 1 1 293.436 2.612 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc[nH]c2CC)C1 ZINC001034191384 780918181 /nfs/dbraw/zinc/91/81/81/780918181.db2.gz YEOBGMXQWRCPKH-CQSZACIVSA-N 1 1 289.423 2.738 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC3(CC3)C2)C1 ZINC001034203271 780920145 /nfs/dbraw/zinc/92/01/45/780920145.db2.gz CVPDVRNGIWKVJE-CVEARBPZSA-N 1 1 288.435 2.561 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001034198859 780921284 /nfs/dbraw/zinc/92/12/84/780921284.db2.gz OQJAHCJJFPAGPJ-STQMWFEESA-N 1 1 286.366 2.579 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)coc2C)C1 ZINC001034193967 780921704 /nfs/dbraw/zinc/92/17/04/780921704.db2.gz KIPNWQJYFVNUFF-CQSZACIVSA-N 1 1 276.380 2.667 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2ccncc2C)C1 ZINC001034207509 780922593 /nfs/dbraw/zinc/92/25/93/780922593.db2.gz MBSURLQELCYUMT-HNNXBMFYSA-N 1 1 287.407 2.550 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccsc2C)C1 ZINC001034208450 780923429 /nfs/dbraw/zinc/92/34/29/780923429.db2.gz QOCSXXVQHCSREA-CQSZACIVSA-N 1 1 290.432 2.664 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001034256276 780932429 /nfs/dbraw/zinc/93/24/29/780932429.db2.gz BZIJQCXHBINLDT-AWEZNQCLSA-N 1 1 296.842 2.900 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C2(C3CC3)CC2)C1 ZINC001034256276 780932432 /nfs/dbraw/zinc/93/24/32/780932432.db2.gz BZIJQCXHBINLDT-AWEZNQCLSA-N 1 1 296.842 2.900 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001034251672 780933653 /nfs/dbraw/zinc/93/36/53/780933653.db2.gz YAHNVAPWFMEOIJ-MRXNPFEDSA-N 1 1 290.451 2.951 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001034298262 780940303 /nfs/dbraw/zinc/94/03/03/780940303.db2.gz VFYUZRFJGYOAOU-QGZVFWFLSA-N 1 1 286.419 2.694 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[C@H]2C(C)(C)C)C1 ZINC001034301269 780941905 /nfs/dbraw/zinc/94/19/05/780941905.db2.gz IUYKQJMABDLFDY-ARFHVFGLSA-N 1 1 290.451 2.663 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001034327067 780945404 /nfs/dbraw/zinc/94/54/04/780945404.db2.gz FLNDYKXEGHUMSI-HNNXBMFYSA-N 1 1 276.424 2.723 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001034320975 780946052 /nfs/dbraw/zinc/94/60/52/780946052.db2.gz QPKBFVWDCWMIKY-HLLBOEOZSA-N 1 1 276.424 2.723 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC2(C)C)C1 ZINC001034353116 780949070 /nfs/dbraw/zinc/94/90/70/780949070.db2.gz VFQLAPCDPJHCPC-CABCVRRESA-N 1 1 278.440 2.969 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001034357883 780950097 /nfs/dbraw/zinc/95/00/97/780950097.db2.gz FQDYBKFLRSTRIV-HZMVEIRTSA-N 1 1 290.451 2.969 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001034352379 780955555 /nfs/dbraw/zinc/95/55/55/780955555.db2.gz POHVGYFAZGGMMH-SJORKVTESA-N 1 1 288.435 2.727 20 30 CFEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000702826439 780956825 /nfs/dbraw/zinc/95/68/25/780956825.db2.gz BIJCDNOIYNJPSB-AWEZNQCLSA-N 1 1 280.318 2.713 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)CC2CC(C)(C)C2)C1 ZINC001034361946 780957729 /nfs/dbraw/zinc/95/77/29/780957729.db2.gz VLLBQDWLLHSJPZ-MRXNPFEDSA-N 1 1 290.451 2.807 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)C2(C)CCCCC2)C1 ZINC001034387442 780962446 /nfs/dbraw/zinc/96/24/46/780962446.db2.gz ZHDWHPWXZJIGIM-HNNXBMFYSA-N 1 1 276.424 2.561 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)C2CCC(F)CC2)C1 ZINC001034387342 780962509 /nfs/dbraw/zinc/96/25/09/780962509.db2.gz NMSXWCUIIRCZSN-UYSNPLJNSA-N 1 1 294.414 2.509 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001034388673 780964112 /nfs/dbraw/zinc/96/41/12/780964112.db2.gz ILNRMYANLUUGID-OAHLLOKOSA-N 1 1 276.424 2.890 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)c2ccco2)C1 ZINC001034395563 780964549 /nfs/dbraw/zinc/96/45/49/780964549.db2.gz YKIHNXHCYSKVKO-CABCVRRESA-N 1 1 290.407 2.930 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)c2ccco2)C1 ZINC001034397136 780966566 /nfs/dbraw/zinc/96/65/66/780966566.db2.gz GKGKQVHGJBTABA-KBPBESRZSA-N 1 1 276.380 2.540 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC23CCC3)C1 ZINC001034425259 780968350 /nfs/dbraw/zinc/96/83/50/780968350.db2.gz PKZKMAMTNYEYCN-GJZGRUSLSA-N 1 1 276.424 2.723 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001034416285 780970921 /nfs/dbraw/zinc/97/09/21/780970921.db2.gz MYBLWJMZABKUEC-FUHWJXTLSA-N 1 1 298.430 2.702 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001034439056 780976079 /nfs/dbraw/zinc/97/60/79/780976079.db2.gz JKTPXDMHTOVSKA-IXDOHACOSA-N 1 1 290.451 2.969 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001034476458 780979002 /nfs/dbraw/zinc/97/90/02/780979002.db2.gz IBAQEPJPXHWCKL-ZDUSSCGKSA-N 1 1 291.395 2.568 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ncoc2C(C)C)C1 ZINC001034476457 780979742 /nfs/dbraw/zinc/97/97/42/780979742.db2.gz IBAQEPJPXHWCKL-CYBMUJFWSA-N 1 1 291.395 2.568 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001034477827 780980325 /nfs/dbraw/zinc/98/03/25/780980325.db2.gz QPKRJSFWJHQMSR-JKSUJKDBSA-N 1 1 288.435 2.561 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)C2(F)CCCCC2)C1 ZINC001034472130 780982560 /nfs/dbraw/zinc/98/25/60/780982560.db2.gz QPEQXTVKNBOBDB-HNNXBMFYSA-N 1 1 294.414 2.653 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ncccc2Cl)C1 ZINC001034497272 780983979 /nfs/dbraw/zinc/98/39/79/780983979.db2.gz QRYSPJLUSHRREU-GFCCVEGCSA-N 1 1 293.798 2.505 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001034482472 780985718 /nfs/dbraw/zinc/98/57/18/780985718.db2.gz BNUDJLCLXOJOTH-RDJZCZTQSA-N 1 1 290.451 2.807 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001034502090 780986866 /nfs/dbraw/zinc/98/68/66/780986866.db2.gz CQEGWSNFZWFNED-MRXNPFEDSA-N 1 1 284.403 2.521 20 30 CFEDMO C#CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001034512128 780989323 /nfs/dbraw/zinc/98/93/23/780989323.db2.gz IQWKLJJVXMQCFD-NSHDSACASA-N 1 1 296.823 2.619 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001034512128 780989327 /nfs/dbraw/zinc/98/93/27/780989327.db2.gz IQWKLJJVXMQCFD-NSHDSACASA-N 1 1 296.823 2.619 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001034519964 780992944 /nfs/dbraw/zinc/99/29/44/780992944.db2.gz UKLSHMMGNLGODL-GOSISDBHSA-N 1 1 298.430 2.911 20 30 CFEDMO Cc1[nH+]ccn1-c1cncc(-c2cc(F)cc(C#N)c2)n1 ZINC001241655652 781050377 /nfs/dbraw/zinc/05/03/77/781050377.db2.gz 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20 30 CFEDMO C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609795 349674726 /nfs/dbraw/zinc/67/47/26/349674726.db2.gz PBPVVOIPJBIWOU-QKPAOTATSA-N 1 1 291.439 2.790 20 30 CFEDMO CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610416 349674815 /nfs/dbraw/zinc/67/48/15/349674815.db2.gz YFOCKGKXSSNAQJ-INIZCTEOSA-N 1 1 293.455 2.753 20 30 CFEDMO CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610416 349674817 /nfs/dbraw/zinc/67/48/17/349674817.db2.gz YFOCKGKXSSNAQJ-INIZCTEOSA-N 1 1 293.455 2.753 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000595611730 349675850 /nfs/dbraw/zinc/67/58/50/349675850.db2.gz NNJSZJOSWQTLEF-ZDUSSCGKSA-N 1 1 289.354 2.780 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000595611681 349676044 /nfs/dbraw/zinc/67/60/44/349676044.db2.gz MTNQKIDTENJDDE-LBPRGKRZSA-N 1 1 255.321 2.953 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000595611681 349676045 /nfs/dbraw/zinc/67/60/45/349676045.db2.gz MTNQKIDTENJDDE-LBPRGKRZSA-N 1 1 255.321 2.953 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](CCCn2c3ccccc3[nH]c2=O)C1 ZINC000595614924 349677837 /nfs/dbraw/zinc/67/78/37/349677837.db2.gz JPZKRAWEPVLGAI-CQSZACIVSA-N 1 1 298.390 2.758 20 30 CFEDMO C[C@@]1(C2CC2)C[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000595617236 349678572 /nfs/dbraw/zinc/67/85/72/349678572.db2.gz HGHBBWXWCQXGJM-INIZCTEOSA-N 1 1 256.349 2.559 20 30 CFEDMO C[C@@]1(C2CC2)C[N@@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000595617236 349678575 /nfs/dbraw/zinc/67/85/75/349678575.db2.gz HGHBBWXWCQXGJM-INIZCTEOSA-N 1 1 256.349 2.559 20 30 CFEDMO C=CC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)COC ZINC000595638827 349685399 /nfs/dbraw/zinc/68/53/99/349685399.db2.gz MERVPNBGUPYOPS-AWEZNQCLSA-N 1 1 258.365 2.776 20 30 CFEDMO C=CC[N@H+](Cc1cc(C(=O)OC)ccc1F)[C@@H](C)COC ZINC000595638585 349686131 /nfs/dbraw/zinc/68/61/31/349686131.db2.gz IOLOTAOHHYPRJT-LBPRGKRZSA-N 1 1 295.354 2.635 20 30 CFEDMO C=CC[N@@H+](Cc1cc(C(=O)OC)ccc1F)[C@@H](C)COC ZINC000595638585 349686133 /nfs/dbraw/zinc/68/61/33/349686133.db2.gz IOLOTAOHHYPRJT-LBPRGKRZSA-N 1 1 295.354 2.635 20 30 CFEDMO CC(C)([NH2+]Cc1nnc2n1CCCC2)c1cccc(C#N)c1 ZINC000595640685 349686911 /nfs/dbraw/zinc/68/69/11/349686911.db2.gz VMEMDACCTZWDRT-UHFFFAOYSA-N 1 1 295.390 2.511 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000595619742 349679554 /nfs/dbraw/zinc/67/95/54/349679554.db2.gz GPOYCLIJCVVNQC-OAHLLOKOSA-N 1 1 256.324 2.803 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000595619742 349679558 /nfs/dbraw/zinc/67/95/58/349679558.db2.gz GPOYCLIJCVVNQC-OAHLLOKOSA-N 1 1 256.324 2.803 20 30 CFEDMO C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595623193 349680681 /nfs/dbraw/zinc/68/06/81/349680681.db2.gz JLTPHGYLIRVUTI-INMHGKMJSA-N 1 1 272.392 2.777 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](CCOCC(F)(F)C(F)F)C1 ZINC000595622648 349680690 /nfs/dbraw/zinc/68/06/90/349680690.db2.gz CEQXFIHEZGZVFS-JTQLQIEISA-N 1 1 282.281 2.529 20 30 CFEDMO CO[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623465 349680996 /nfs/dbraw/zinc/68/09/96/349680996.db2.gz QKUQYRBFDFYYGP-DLBZAZTESA-N 1 1 272.392 2.870 20 30 CFEDMO C[C@@]1(C2CC2)C[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595625363 349681999 /nfs/dbraw/zinc/68/19/99/349681999.db2.gz MCYMROKFJVPXPG-KRWDZBQOSA-N 1 1 270.376 2.602 20 30 CFEDMO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)COC ZINC000595644144 349687621 /nfs/dbraw/zinc/68/76/21/349687621.db2.gz ALDAJVWRDRVMET-LBPRGKRZSA-N 1 1 264.325 2.618 20 30 CFEDMO C[C@@H](CNCc1ccc(C#N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000069680515 346898167 /nfs/dbraw/zinc/89/81/67/346898167.db2.gz NGBSWQIWTKPUPS-CABCVRRESA-N 1 1 271.408 2.911 20 30 CFEDMO C[C@@H](CNCc1ccc(C#N)cc1)[N@H+]1CCCC[C@H]1C ZINC000069680515 346898169 /nfs/dbraw/zinc/89/81/69/346898169.db2.gz NGBSWQIWTKPUPS-CABCVRRESA-N 1 1 271.408 2.911 20 30 CFEDMO C=CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H](C)COC ZINC000595646983 349689305 /nfs/dbraw/zinc/68/93/05/349689305.db2.gz MWPQGAGNHLJVOA-GFCCVEGCSA-N 1 1 294.351 2.626 20 30 CFEDMO C=CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H](C)COC ZINC000595646983 349689307 /nfs/dbraw/zinc/68/93/07/349689307.db2.gz MWPQGAGNHLJVOA-GFCCVEGCSA-N 1 1 294.351 2.626 20 30 CFEDMO C[C@H]1COC2(CCC2)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000595684017 349699649 /nfs/dbraw/zinc/69/96/49/349699649.db2.gz YUEFDOFYQLUVBC-HNNXBMFYSA-N 1 1 292.423 2.730 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1CCO ZINC000595693041 349704262 /nfs/dbraw/zinc/70/42/62/349704262.db2.gz DBKSOSBEZJECRL-CVEARBPZSA-N 1 1 294.439 2.570 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000595694663 349705152 /nfs/dbraw/zinc/70/51/52/349705152.db2.gz DSVOWXSELVNVGN-BBRMVZONSA-N 1 1 288.391 2.550 20 30 CFEDMO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H](C)[C@H]1O ZINC000595733353 349719544 /nfs/dbraw/zinc/71/95/44/349719544.db2.gz RTAPNRSQXMGXPP-WDNDVIMCSA-N 1 1 252.402 2.655 20 30 CFEDMO C[C@@H]1C[NH+](Cc2ccc(Cl)cc2C#N)C[C@@H](C)C1O ZINC000595741997 349720815 /nfs/dbraw/zinc/72/08/15/349720815.db2.gz IBWPZOXKJDKTRV-GHMZBOCLSA-N 1 1 278.783 2.660 20 30 CFEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(CCCC#N)C1 ZINC000595747830 349721585 /nfs/dbraw/zinc/72/15/85/349721585.db2.gz HEVOUQGANIHYAO-KRWDZBQOSA-N 1 1 271.408 2.539 20 30 CFEDMO CN(CCc1ccccc1)[C@H]1CC[N@@H+](CCCCC#N)C1 ZINC000595750033 349722408 /nfs/dbraw/zinc/72/24/08/349722408.db2.gz QRVYQIIVCJDKSX-SFHVURJKSA-N 1 1 285.435 2.929 20 30 CFEDMO C[N@H+](CCc1ccccc1)[C@H]1CCN(CCCCC#N)C1 ZINC000595750033 349722411 /nfs/dbraw/zinc/72/24/11/349722411.db2.gz QRVYQIIVCJDKSX-SFHVURJKSA-N 1 1 285.435 2.929 20 30 CFEDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(CCCCC#N)C1 ZINC000595750033 349722414 /nfs/dbraw/zinc/72/24/14/349722414.db2.gz QRVYQIIVCJDKSX-SFHVURJKSA-N 1 1 285.435 2.929 20 30 CFEDMO CC[C@@]1(O)CC[N@@H+](Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000425923486 529574661 /nfs/dbraw/zinc/57/46/61/529574661.db2.gz GGEWLGPHURYHKL-OAHLLOKOSA-N 1 1 296.317 2.506 20 30 CFEDMO CCC1(CC)CCC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000595753778 349724095 /nfs/dbraw/zinc/72/40/95/349724095.db2.gz YKEHXWSYMXQKOD-AWEZNQCLSA-N 1 1 279.428 2.649 20 30 CFEDMO C[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)[C@@H]1CCO ZINC000595706891 349712153 /nfs/dbraw/zinc/71/21/53/349712153.db2.gz YFIZUWZHMIHERL-CZUORRHYSA-N 1 1 258.365 2.541 20 30 CFEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C#N)c2)[C@H]1CCO ZINC000595706872 349712434 /nfs/dbraw/zinc/71/24/34/349712434.db2.gz XVSKLVSCKUXTOJ-WBMJQRKESA-N 1 1 276.355 2.680 20 30 CFEDMO N#Cc1c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)cn2ccccc12 ZINC000595810031 349737849 /nfs/dbraw/zinc/73/78/49/349737849.db2.gz VXPONFSUADWQKQ-CHWSQXEVSA-N 1 1 251.333 2.653 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000595822704 349743581 /nfs/dbraw/zinc/74/35/81/349743581.db2.gz FRPOLKTXCUBEEH-BFHYXJOUSA-N 1 1 253.386 2.862 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595831230 349745583 /nfs/dbraw/zinc/74/55/83/349745583.db2.gz ZFKJRAJFBFFHLA-GOEBONIOSA-N 1 1 297.402 2.564 20 30 CFEDMO N#C[C@H]1CC[C@@H]([N@H+]2CC[C@@H](Oc3ccccc3)C2)C1 ZINC000595832213 349745856 /nfs/dbraw/zinc/74/58/56/349745856.db2.gz SXEWHFXOEXBJKU-SQWLQELKSA-N 1 1 256.349 2.832 20 30 CFEDMO C=CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)C(C)(C)C ZINC000595763990 349726394 /nfs/dbraw/zinc/72/63/94/349726394.db2.gz VAFJQWDTJPXHBX-UHFFFAOYSA-N 1 1 289.379 2.993 20 30 CFEDMO C[C@H](O)[C@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000595764514 349727413 /nfs/dbraw/zinc/72/74/13/349727413.db2.gz ACOJEELBQLWGHD-XJKSGUPXSA-N 1 1 272.392 2.833 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595782431 349731884 /nfs/dbraw/zinc/73/18/84/349731884.db2.gz ZQVOYKYWZSIJEI-OLZOCXBDSA-N 1 1 274.364 2.566 20 30 CFEDMO N#CCCCC[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595786982 349733871 /nfs/dbraw/zinc/73/38/71/349733871.db2.gz DVXRSMZBPYASNB-LSDHHAIUSA-N 1 1 250.386 2.961 20 30 CFEDMO N#CCCCC[N@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595786981 349734021 /nfs/dbraw/zinc/73/40/21/349734021.db2.gz DVXRSMZBPYASNB-HUUCEWRRSA-N 1 1 250.386 2.961 20 30 CFEDMO CC(C)(C)c1nnc2n1CC[N@@H+](CCCC(C)(C)C#N)C2 ZINC000595886873 349761562 /nfs/dbraw/zinc/76/15/62/349761562.db2.gz AJKKFHDBQCCTSN-UHFFFAOYSA-N 1 1 289.427 2.721 20 30 CFEDMO CC(C)(C)c1nnc2n1CC[N@H+](CCCC(C)(C)C#N)C2 ZINC000595886873 349761564 /nfs/dbraw/zinc/76/15/64/349761564.db2.gz AJKKFHDBQCCTSN-UHFFFAOYSA-N 1 1 289.427 2.721 20 30 CFEDMO C[C@@H]1C[N@H+](CCCSCC#N)C[C@@H](CC(F)(F)F)O1 ZINC000595890907 349762757 /nfs/dbraw/zinc/76/27/57/349762757.db2.gz NUXWINAFEKTZDN-GHMZBOCLSA-N 1 1 296.358 2.675 20 30 CFEDMO C[C@@H]1C[N@@H+](CCCSCC#N)C[C@@H](CC(F)(F)F)O1 ZINC000595890907 349762758 /nfs/dbraw/zinc/76/27/58/349762758.db2.gz NUXWINAFEKTZDN-GHMZBOCLSA-N 1 1 296.358 2.675 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000595909203 349766233 /nfs/dbraw/zinc/76/62/33/349766233.db2.gz KNVOCYQDRSSPJZ-HDICACEKSA-N 1 1 282.387 2.951 20 30 CFEDMO C[C@@]1(C#N)CC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000595835855 349748501 /nfs/dbraw/zinc/74/85/01/349748501.db2.gz UWIVIMUPQBUHSG-HNNXBMFYSA-N 1 1 262.328 2.830 20 30 CFEDMO C[C@@]1(C#N)CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000595835855 349748506 /nfs/dbraw/zinc/74/85/06/349748506.db2.gz UWIVIMUPQBUHSG-HNNXBMFYSA-N 1 1 262.328 2.830 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000595841841 349751385 /nfs/dbraw/zinc/75/13/85/349751385.db2.gz OVYFEEOLJXVHLE-LJIGWXMPSA-N 1 1 289.423 2.612 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccoc1C(=O)OC ZINC000595842785 349752855 /nfs/dbraw/zinc/75/28/55/349752855.db2.gz VDTVQTHNCBUMRF-BETUJISGSA-N 1 1 261.321 2.749 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[S@](=O)c1ccccc1 ZINC000595844197 349752965 /nfs/dbraw/zinc/75/29/65/349752965.db2.gz BWXQALCQJXXEMV-KHYOSLBOSA-N 1 1 275.417 2.977 20 30 CFEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)COCCC ZINC001098959201 781921393 /nfs/dbraw/zinc/92/13/93/781921393.db2.gz DMSRNAUGYKHKFL-HNNXBMFYSA-N 1 1 296.455 2.596 20 30 CFEDMO 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CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000592136763 349088836 /nfs/dbraw/zinc/08/88/36/349088836.db2.gz VFZCEKVPDLYYSX-INIZCTEOSA-N 1 1 288.416 2.575 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130297 349089463 /nfs/dbraw/zinc/08/94/63/349089463.db2.gz AWGPYHULYQHAAK-SHTZXODSSA-N 1 1 290.363 2.886 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCC(C)(C)C ZINC000592144494 349090239 /nfs/dbraw/zinc/09/02/39/349090239.db2.gz JSLJPMYTMXQNJZ-XJKSGUPXSA-N 1 1 281.444 2.797 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@@H+](C)CCC(C)(C)C ZINC000592144491 349090243 /nfs/dbraw/zinc/09/02/43/349090243.db2.gz JSLJPMYTMXQNJZ-BBRMVZONSA-N 1 1 281.444 2.797 20 30 CFEDMO C[N@@H+](CCC(C)(C)C)CC(=O)NCc1cccc(C#N)c1 ZINC000592144561 349090305 /nfs/dbraw/zinc/09/03/05/349090305.db2.gz NJVZXRRPWDQPCO-UHFFFAOYSA-N 1 1 287.407 2.542 20 30 CFEDMO N#CC[C@]1(O)CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000592150802 349091018 /nfs/dbraw/zinc/09/10/18/349091018.db2.gz 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1 251.370 2.616 20 30 CFEDMO N#Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000106501952 186121613 /nfs/dbraw/zinc/12/16/13/186121613.db2.gz AJHWJYXFHBLJBO-HNNXBMFYSA-N 1 1 298.390 2.697 20 30 CFEDMO CCC#C[C@H](C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599676054 350478287 /nfs/dbraw/zinc/47/82/87/350478287.db2.gz HLJVIZZSWARKLT-BBRMVZONSA-N 1 1 271.360 2.561 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCC2(CC2)CC1 ZINC000599673332 350478630 /nfs/dbraw/zinc/47/86/30/350478630.db2.gz OSBXULMGJJPUHL-ZBFHGGJFSA-N 1 1 291.439 2.695 20 30 CFEDMO CCC(O)(CC)C[N@@H+](C)CCCC1(C#N)CCOCC1 ZINC000599673923 350479020 /nfs/dbraw/zinc/47/90/20/350479020.db2.gz WBWIDLXBJKPQQC-UHFFFAOYSA-N 1 1 282.428 2.570 20 30 CFEDMO COc1ccc([C@@H]2CC[N@@H+](CCOCCC#N)C2)cc1F ZINC000599675934 350479109 /nfs/dbraw/zinc/47/91/09/350479109.db2.gz ABSVMIVHBQFRHY-CQSZACIVSA-N 1 1 292.354 2.554 20 30 CFEDMO CC(C)COCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677895 350479546 /nfs/dbraw/zinc/47/95/46/350479546.db2.gz LYUCDDLEAZNOGW-UHFFFAOYSA-N 1 1 272.392 2.783 20 30 CFEDMO CC(C)OCCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677717 350479592 /nfs/dbraw/zinc/47/95/92/350479592.db2.gz CWPSMFFGDLVSBG-UHFFFAOYSA-N 1 1 272.392 2.926 20 30 CFEDMO CCOCCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677601 350479870 /nfs/dbraw/zinc/47/98/70/350479870.db2.gz AEJOEXXEKXWZOC-UHFFFAOYSA-N 1 1 258.365 2.537 20 30 CFEDMO CC(C)(C)[C@H](O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676552 350479924 /nfs/dbraw/zinc/47/99/24/350479924.db2.gz BJRRQRVLNORTPB-MRXNPFEDSA-N 1 1 272.392 2.518 20 30 CFEDMO CC(=O)NC[C@@H]1CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000599693282 350484798 /nfs/dbraw/zinc/48/47/98/350484798.db2.gz YZRZEYOLGNVGMW-INIZCTEOSA-N 1 1 291.439 2.841 20 30 CFEDMO N#CCC[N@H+](Cc1cccc2n[nH]cc21)CC1CC1 ZINC000600117263 350513540 /nfs/dbraw/zinc/51/35/40/350513540.db2.gz JVUGATWUUPWSQT-UHFFFAOYSA-N 1 1 254.337 2.689 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(C#N)(CC)CC ZINC000599955428 350500751 /nfs/dbraw/zinc/50/07/51/350500751.db2.gz MVCMFSXKAKUYCC-CYBMUJFWSA-N 1 1 267.417 2.553 20 30 CFEDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc(C2(C#N)CC2)cc1 ZINC000600168430 350528803 /nfs/dbraw/zinc/52/88/03/350528803.db2.gz JKOCBNHNMYMXJK-CQSZACIVSA-N 1 1 272.392 2.835 20 30 CFEDMO C=CCC[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)C(=O)OCC ZINC000600170678 350529378 /nfs/dbraw/zinc/52/93/78/350529378.db2.gz ZOZHTIXARDQBGL-CYUUQNCZSA-N 1 1 265.397 2.909 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)c(C)n2C)C1 ZINC000600185347 350534147 /nfs/dbraw/zinc/53/41/47/350534147.db2.gz LHUITQSUBTVUIN-CYBMUJFWSA-N 1 1 276.380 2.518 20 30 CFEDMO C=CC[N@@H+](Cc1cn(C)nc1C)Cc1cccc(C#N)c1 ZINC000092504249 180398228 /nfs/dbraw/zinc/39/82/28/180398228.db2.gz UHSWWDGCZKVNGV-UHFFFAOYSA-N 1 1 280.375 2.788 20 30 CFEDMO C=CC[N@H+](Cc1cn(C)nc1C)Cc1cccc(C#N)c1 ZINC000092504249 180398232 /nfs/dbraw/zinc/39/82/32/180398232.db2.gz UHSWWDGCZKVNGV-UHFFFAOYSA-N 1 1 280.375 2.788 20 30 CFEDMO N#CC1(c2ccc(C[N@@H+]3CCO[C@H](CCF)C3)cc2)CC1 ZINC000600204292 350538418 /nfs/dbraw/zinc/53/84/18/350538418.db2.gz JFQBOCMJPYOELL-MRXNPFEDSA-N 1 1 288.366 2.802 20 30 CFEDMO N#CC1(c2ccc(C[N@H+]3CCO[C@H](CCF)C3)cc2)CC1 ZINC000600204292 350538422 /nfs/dbraw/zinc/53/84/22/350538422.db2.gz JFQBOCMJPYOELL-MRXNPFEDSA-N 1 1 288.366 2.802 20 30 CFEDMO C/C=C/C[C@H]1CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000600212143 350540450 /nfs/dbraw/zinc/54/04/50/350540450.db2.gz AQNIPMJSFWZIGM-HSWBROFVSA-N 1 1 295.390 2.779 20 30 CFEDMO Cc1ccc(CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1C#N ZINC000600710019 350599293 /nfs/dbraw/zinc/59/92/93/350599293.db2.gz MSRYAIXHVHSBGP-ZQIUZPCESA-N 1 1 271.408 2.672 20 30 CFEDMO Cc1ccc(CN2CCC[C@H](C)[C@H]2CC[NH3+])cc1C#N ZINC000600708791 350599398 /nfs/dbraw/zinc/59/93/98/350599398.db2.gz GGNKVXBLMDJCNA-WMLDXEAASA-N 1 1 271.408 2.816 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC000600830800 350617976 /nfs/dbraw/zinc/61/79/76/350617976.db2.gz ZSDUPDFGCBQIRA-CYBMUJFWSA-N 1 1 285.391 2.562 20 30 CFEDMO COc1c(C)c[nH+]c(CN(C)[C@H]2CCC[C@H]2C#N)c1C ZINC000600860538 350620244 /nfs/dbraw/zinc/62/02/44/350620244.db2.gz XPDKVHMTIGFRBC-ZFWWWQNUSA-N 1 1 273.380 2.831 20 30 CFEDMO Cc1cc(C)c(CS(=O)(=O)CCC(C)(C)C#N)c(C)[nH+]1 ZINC000600942098 350633914 /nfs/dbraw/zinc/63/39/14/350633914.db2.gz UMVLIUWSCQJQBE-UHFFFAOYSA-N 1 1 294.420 2.862 20 30 CFEDMO C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CC1CCCC1 ZINC000110836784 186328825 /nfs/dbraw/zinc/32/88/25/186328825.db2.gz SIVZVVJODBFLTL-INIZCTEOSA-N 1 1 258.365 2.714 20 30 CFEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1OCC)C1CC1 ZINC000271399942 191116507 /nfs/dbraw/zinc/11/65/07/191116507.db2.gz LKDZSUYBNGFDGH-UHFFFAOYSA-N 1 1 274.364 2.674 20 30 CFEDMO C=CC[N@H+](CC(=O)Nc1ccccc1OCC)C1CC1 ZINC000271399942 191116509 /nfs/dbraw/zinc/11/65/09/191116509.db2.gz LKDZSUYBNGFDGH-UHFFFAOYSA-N 1 1 274.364 2.674 20 30 CFEDMO CC[N@H+]1CCCN(C(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000601228997 350703382 /nfs/dbraw/zinc/70/33/82/350703382.db2.gz BQXIYJHXOBWZEH-CYBMUJFWSA-N 1 1 286.379 2.506 20 30 CFEDMO CN(CC[N@@H+](C)C1CC1)c1ncc(C#N)c2ccsc21 ZINC000601144567 350681476 /nfs/dbraw/zinc/68/14/76/350681476.db2.gz UWTDAGVINRUFCS-UHFFFAOYSA-N 1 1 286.404 2.698 20 30 CFEDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)CC2(C#N)CC2)CC12CC=CC2 ZINC000601960736 350819650 /nfs/dbraw/zinc/81/96/50/350819650.db2.gz TVWZZODCRFOCIX-CABCVRRESA-N 1 1 274.408 2.718 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601969450 350821702 /nfs/dbraw/zinc/82/17/02/350821702.db2.gz DCHJYLZTFQOFFG-NSHDSACASA-N 1 1 260.328 2.672 20 30 CFEDMO Cc1ccc(C[N@@H+]2CCO[C@@H](C(F)F)CC2)cc1C#N ZINC000601976490 350822479 /nfs/dbraw/zinc/82/24/79/350822479.db2.gz QYRHNEPZFMXUMB-CQSZACIVSA-N 1 1 280.318 2.723 20 30 CFEDMO Cc1ccc(C[N@H+]2CCO[C@@H](C(F)F)CC2)cc1C#N ZINC000601976490 350822482 /nfs/dbraw/zinc/82/24/82/350822482.db2.gz QYRHNEPZFMXUMB-CQSZACIVSA-N 1 1 280.318 2.723 20 30 CFEDMO CC[C@](C)(C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2)C1 ZINC000601880313 350797516 /nfs/dbraw/zinc/79/75/16/350797516.db2.gz FMMJABGUHJWBFW-FUHWJXTLSA-N 1 1 299.418 2.625 20 30 CFEDMO N#Cc1c(F)cccc1CNC[C@H]1CCCC[N@H+]1C1CC1 ZINC000602016680 350832105 /nfs/dbraw/zinc/83/21/05/350832105.db2.gz JCSOUMSZWLFSGL-OAHLLOKOSA-N 1 1 287.382 2.804 20 30 CFEDMO N#Cc1c(F)cccc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000602016680 350832106 /nfs/dbraw/zinc/83/21/06/350832106.db2.gz JCSOUMSZWLFSGL-OAHLLOKOSA-N 1 1 287.382 2.804 20 30 CFEDMO CC1(C)CCC[N@H+]1CCNCc1cccc(F)c1C#N ZINC000602016955 350833267 /nfs/dbraw/zinc/83/32/67/350833267.db2.gz BOEUJPLERZHLTP-UHFFFAOYSA-N 1 1 275.371 2.661 20 30 CFEDMO N#Cc1c(F)cccc1CN[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000602028468 350836045 /nfs/dbraw/zinc/83/60/45/350836045.db2.gz MVITXGMAYDCGIE-SJORKVTESA-N 1 1 287.382 2.804 20 30 CFEDMO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000602028468 350836048 /nfs/dbraw/zinc/83/60/48/350836048.db2.gz MVITXGMAYDCGIE-SJORKVTESA-N 1 1 287.382 2.804 20 30 CFEDMO CC(C)c1[nH+]ccn1CC(=O)N(C)Cc1ccc(C#N)cc1 ZINC000602054584 350836985 /nfs/dbraw/zinc/83/69/85/350836985.db2.gz NGZJZAYNEAVXSL-UHFFFAOYSA-N 1 1 296.374 2.537 20 30 CFEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@@]1(C#N)CCC[C@H](C)C1 ZINC000602101223 350840825 /nfs/dbraw/zinc/84/08/25/350840825.db2.gz GKFFSZPZQFLXMO-BBRMVZONSA-N 1 1 288.395 2.595 20 30 CFEDMO CC(C)c1[nH+]ccn1CC(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000602101226 350840874 /nfs/dbraw/zinc/84/08/74/350840874.db2.gz GKFFSZPZQFLXMO-XJKSGUPXSA-N 1 1 288.395 2.595 20 30 CFEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000602128008 350845402 /nfs/dbraw/zinc/84/54/02/350845402.db2.gz HYGYSLGBUBQQQV-HOTGVXAUSA-N 1 1 285.391 2.632 20 30 CFEDMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2cccc(C#N)n2)c1 ZINC000602503471 350907149 /nfs/dbraw/zinc/90/71/49/350907149.db2.gz OVIPVTLKBMWFAP-GFCCVEGCSA-N 1 1 297.358 2.821 20 30 CFEDMO CC(C)[C@@H]([NH2+]C[C@H](C)CCC#N)C(=O)OC(C)(C)C ZINC000602583253 350934356 /nfs/dbraw/zinc/93/43/56/350934356.db2.gz WGAAWQHSWSGAGV-CHWSQXEVSA-N 1 1 268.401 2.882 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000602584483 350935297 /nfs/dbraw/zinc/93/52/97/350935297.db2.gz CPEIQZAVRHVRJW-DZGCQCFKSA-N 1 1 250.386 2.817 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000602586119 350936702 /nfs/dbraw/zinc/93/67/02/350936702.db2.gz ZMCLBJMMTXPRCJ-RDJZCZTQSA-N 1 1 272.392 2.870 20 30 CFEDMO COc1ccc(OCC[N@@H+](C)C[C@@H](C)CCC#N)cc1 ZINC000602433941 350880532 /nfs/dbraw/zinc/88/05/32/350880532.db2.gz UUJMHZDMAOTVCL-AWEZNQCLSA-N 1 1 276.380 2.946 20 30 CFEDMO COC(=O)c1cc(C[N@H+](C)Cc2cccc(C#N)c2)[nH]c1C ZINC000602439510 350884104 /nfs/dbraw/zinc/88/41/04/350884104.db2.gz HIKFRQJBICQEGT-UHFFFAOYSA-N 1 1 297.358 2.613 20 30 CFEDMO COC(=O)c1cc(C[N@@H+](C)Cc2cccc(C#N)c2)[nH]c1C ZINC000602439510 350884108 /nfs/dbraw/zinc/88/41/08/350884108.db2.gz HIKFRQJBICQEGT-UHFFFAOYSA-N 1 1 297.358 2.613 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000602442814 350884749 /nfs/dbraw/zinc/88/47/49/350884749.db2.gz OCCREMPEZQPVCE-AWEZNQCLSA-N 1 1 299.418 2.950 20 30 CFEDMO CC[N@@H+](C[C@@]1(OC)CCOC1)[C@H](C)c1ccc(C#N)cc1 ZINC000602444177 350886021 /nfs/dbraw/zinc/88/60/21/350886021.db2.gz NAUXQBPDCAAJEF-PBHICJAKSA-N 1 1 288.391 2.747 20 30 CFEDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602449127 350886959 /nfs/dbraw/zinc/88/69/59/350886959.db2.gz NKFCTJIOKAFONZ-ARFHVFGLSA-N 1 1 293.455 2.943 20 30 CFEDMO CC(=O)Nc1cccc2c1CC[N@H+](C[C@@H](C)CCC#N)C2 ZINC000602450710 350887811 /nfs/dbraw/zinc/88/78/11/350887811.db2.gz URFZSVOFPSJUOH-ZDUSSCGKSA-N 1 1 285.391 2.943 20 30 CFEDMO C[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H](C)CCC#N ZINC000602453287 350889054 /nfs/dbraw/zinc/88/90/54/350889054.db2.gz JZCURJDPKPPYFB-GJZGRUSLSA-N 1 1 260.381 2.809 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCCN(c2nccs2)CC1 ZINC000602456923 350889266 /nfs/dbraw/zinc/88/92/66/350889266.db2.gz XTOFXRUUPZVGFO-ZDUSSCGKSA-N 1 1 278.425 2.595 20 30 CFEDMO CO[C@H](C[N@@H+](CCC#N)CCC(C)C)C1CCOCC1 ZINC000602464795 350892677 /nfs/dbraw/zinc/89/26/77/350892677.db2.gz GSBPNZRWACBNQW-MRXNPFEDSA-N 1 1 282.428 2.690 20 30 CFEDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C#N)n2)C1(C)C ZINC000602469967 350893654 /nfs/dbraw/zinc/89/36/54/350893654.db2.gz BONIPRJDSHOMAV-CABCVRRESA-N 1 1 273.380 2.589 20 30 CFEDMO C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602472724 350895077 /nfs/dbraw/zinc/89/50/77/350895077.db2.gz BFOAAIOEQVSDPF-CYBMUJFWSA-N 1 1 263.344 2.900 20 30 CFEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cccc(C#N)n1 ZINC000602472724 350895081 /nfs/dbraw/zinc/89/50/81/350895081.db2.gz BFOAAIOEQVSDPF-CYBMUJFWSA-N 1 1 263.344 2.900 20 30 CFEDMO Cc1noc(C)c1C(C)(C)[NH2+]Cc1cccc(C#N)n1 ZINC000602652019 350962151 /nfs/dbraw/zinc/96/21/51/350962151.db2.gz CNDPFDOYAWRATQ-UHFFFAOYSA-N 1 1 270.336 2.583 20 30 CFEDMO COCCC[N@H+](Cc1ccncc1)C[C@@H](C)CCC#N ZINC000602654519 350962833 /nfs/dbraw/zinc/96/28/33/350962833.db2.gz COWUKVZLNXDMHW-HNNXBMFYSA-N 1 1 275.396 2.860 20 30 CFEDMO C[N@@H+](CCCOCc1ccccc1)Cc1cccc(C#N)n1 ZINC000602655294 350963018 /nfs/dbraw/zinc/96/30/18/350963018.db2.gz JKHFGYLVCOOQPX-UHFFFAOYSA-N 1 1 295.386 2.992 20 30 CFEDMO Cc1ccc(C[N@@H+](CCN(C)C)C[C@@H](C)CCC#N)o1 ZINC000602658410 350964653 /nfs/dbraw/zinc/96/46/53/350964653.db2.gz WKUYQSFGYMPYOU-AWEZNQCLSA-N 1 1 277.412 2.892 20 30 CFEDMO Cc1ccc(C[N@H+](CCN(C)C)C[C@@H](C)CCC#N)o1 ZINC000602658410 350964658 /nfs/dbraw/zinc/96/46/58/350964658.db2.gz WKUYQSFGYMPYOU-AWEZNQCLSA-N 1 1 277.412 2.892 20 30 CFEDMO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CCCC1(F)F ZINC000602662601 350966393 /nfs/dbraw/zinc/96/63/93/350966393.db2.gz PBUUNHIVRXHZNY-VXGBXAGGSA-N 1 1 272.339 2.863 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000602678827 350974418 /nfs/dbraw/zinc/97/44/18/350974418.db2.gz ONLKSBZFTYAGRI-STQMWFEESA-N 1 1 260.385 2.743 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CC(C)(C)[C@@H]1c1nccn1C ZINC000602678827 350974421 /nfs/dbraw/zinc/97/44/21/350974421.db2.gz ONLKSBZFTYAGRI-STQMWFEESA-N 1 1 260.385 2.743 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000602682496 350976935 /nfs/dbraw/zinc/97/69/35/350976935.db2.gz YLERIHMPBLTJFV-QXSJWSMHSA-N 1 1 264.413 2.942 20 30 CFEDMO C=CCC[C@@H]([NH2+]C1CCC(C#N)CC1)C(=O)OCC ZINC000602683920 350977382 /nfs/dbraw/zinc/97/73/82/350977382.db2.gz XXLGRRDDINQFIB-JXQTWKCFSA-N 1 1 264.369 2.556 20 30 CFEDMO N#Cc1cccc(C[NH+]2CC(Cc3ccc(F)c(F)c3)C2)n1 ZINC000602689440 350980190 /nfs/dbraw/zinc/98/01/90/350980190.db2.gz SZYGYSWPQIWRHY-UHFFFAOYSA-N 1 1 299.324 2.906 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000602695073 350982333 /nfs/dbraw/zinc/98/23/33/350982333.db2.gz CMOYNDHUCPVDGY-DOTOQJQBSA-N 1 1 299.418 2.565 20 30 CFEDMO C[C@H](CCC#N)C[N@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC000602699239 350985640 /nfs/dbraw/zinc/98/56/40/350985640.db2.gz OHFXCTBYOGJZBT-CYBMUJFWSA-N 1 1 280.412 2.980 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC000602699241 350985996 /nfs/dbraw/zinc/98/59/96/350985996.db2.gz 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C[C@H]1CCC[N@@H+](CCNc2ccc(C#N)c([N+](=O)[O-])c2)C1 ZINC000290511356 381457554 /nfs/dbraw/zinc/45/75/54/381457554.db2.gz LTIPGUUVWAKGQH-LBPRGKRZSA-N 1 1 288.351 2.610 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000359556542 381467839 /nfs/dbraw/zinc/46/78/39/381467839.db2.gz MDDNSRSBOFWOJS-OIISXLGYSA-N 1 1 291.439 2.553 20 30 CFEDMO C=CCOCCC[N@H+]1CCOc2ccc(F)cc2C1 ZINC000348181444 381468217 /nfs/dbraw/zinc/46/82/17/381468217.db2.gz ODSNOALAIYUGAU-UHFFFAOYSA-N 1 1 265.328 2.613 20 30 CFEDMO C=CCOCCC[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000348181444 381468223 /nfs/dbraw/zinc/46/82/23/381468223.db2.gz ODSNOALAIYUGAU-UHFFFAOYSA-N 1 1 265.328 2.613 20 30 CFEDMO Fc1ccc(C#CC[N@H+]2CCCO[C@H]3CCC[C@@H]32)cc1 ZINC000370834809 381509668 /nfs/dbraw/zinc/50/96/68/381509668.db2.gz ZMSWCLIVIRLCCK-IRXDYDNUSA-N 1 1 273.351 2.821 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N(C)Cc1c(F)cccc1Cl ZINC000342743031 381513062 /nfs/dbraw/zinc/51/30/62/381513062.db2.gz XHIQJOPQYMZNIL-UHFFFAOYSA-N 1 1 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ZINC000185383676 381619137 /nfs/dbraw/zinc/61/91/37/381619137.db2.gz ORQYLSZSEZWCFX-GFCCVEGCSA-N 1 1 278.371 2.832 20 30 CFEDMO C=CCOc1cccc(CN2CC[N@H+](CC)C[C@H]2C)c1 ZINC000348554727 381632954 /nfs/dbraw/zinc/63/29/54/381632954.db2.gz YTHCKKMMPVUHTB-OAHLLOKOSA-N 1 1 274.408 2.777 20 30 CFEDMO C[C@H](c1cccc(F)c1)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000343320316 381674091 /nfs/dbraw/zinc/67/40/91/381674091.db2.gz CLRAAQWFTDFCSZ-CQSZACIVSA-N 1 1 287.382 2.808 20 30 CFEDMO N#CC1(C[NH+]2CCC(OCc3ccccc3)CC2)CC1 ZINC000343245745 381670855 /nfs/dbraw/zinc/67/08/55/381670855.db2.gz GOQRNMFYDHLTLP-UHFFFAOYSA-N 1 1 270.376 2.971 20 30 CFEDMO C=CC[N@H+](Cc1ccccc1)[C@@H](C)C(=O)N(CC)CC ZINC000355266621 381711939 /nfs/dbraw/zinc/71/19/39/381711939.db2.gz KBRNUWSQQQIXLM-HNNXBMFYSA-N 1 1 274.408 2.932 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N(CC)CC ZINC000355266621 381711947 /nfs/dbraw/zinc/71/19/47/381711947.db2.gz KBRNUWSQQQIXLM-HNNXBMFYSA-N 1 1 274.408 2.932 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1cc(OC)c(O)c(OC)c1 ZINC000298585263 381679439 /nfs/dbraw/zinc/67/94/39/381679439.db2.gz GPPQIQPVHSGSJZ-UHFFFAOYSA-N 1 1 265.353 2.807 20 30 CFEDMO C[N@H+]1CCCC12CCN(CCCC(C)(C)C#N)CC2 ZINC000371691432 381680637 /nfs/dbraw/zinc/68/06/37/381680637.db2.gz AFCAAUJIZNSGKD-UHFFFAOYSA-N 1 1 263.429 2.877 20 30 CFEDMO CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000185651904 381693607 /nfs/dbraw/zinc/69/36/07/381693607.db2.gz ZEGLJEIZHVFLCB-WFASDCNBSA-N 1 1 271.364 2.617 20 30 CFEDMO C=C(C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000298665247 381703915 /nfs/dbraw/zinc/70/39/15/381703915.db2.gz LSMUSAMUELPTAC-ZDUSSCGKSA-N 1 1 278.400 2.689 20 30 CFEDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(C#N)cs1 ZINC000348831517 381727749 /nfs/dbraw/zinc/72/77/49/381727749.db2.gz GGIIFZXLJUNUML-CYBMUJFWSA-N 1 1 291.420 2.500 20 30 CFEDMO Cc1nc(NCC[N@H+]2CC=C(C)CC2)c(Cl)cc1C#N ZINC000360048761 381750615 /nfs/dbraw/zinc/75/06/15/381750615.db2.gz XXFLFVWZXPQXEZ-UHFFFAOYSA-N 1 1 290.798 2.979 20 30 CFEDMO Cc1nc(NCC[N@@H+]2CC=C(C)CC2)c(Cl)cc1C#N ZINC000360048761 381750621 /nfs/dbraw/zinc/75/06/21/381750621.db2.gz XXFLFVWZXPQXEZ-UHFFFAOYSA-N 1 1 290.798 2.979 20 30 CFEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)C(=O)N(CC)CC ZINC000298819445 381757618 /nfs/dbraw/zinc/75/76/18/381757618.db2.gz FZHHPRKPDNJWSY-AWEZNQCLSA-N 1 1 278.396 2.567 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)C(=O)N(CC)CC ZINC000298819445 381757621 /nfs/dbraw/zinc/75/76/21/381757621.db2.gz FZHHPRKPDNJWSY-AWEZNQCLSA-N 1 1 278.396 2.567 20 30 CFEDMO COc1ccc(C[N@@H+](C(C)C)[C@@H]2CCOC2)cc1C#N ZINC000291248754 381722672 /nfs/dbraw/zinc/72/26/72/381722672.db2.gz LVAKGWACSCFJQM-OAHLLOKOSA-N 1 1 274.364 2.566 20 30 CFEDMO C#CCCCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000371931020 381723569 /nfs/dbraw/zinc/72/35/69/381723569.db2.gz IOOITMQGLKUFBH-HNNXBMFYSA-N 1 1 276.424 2.561 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCC[C@H](C)C1 ZINC000360605549 381785227 /nfs/dbraw/zinc/78/52/27/381785227.db2.gz SPCNMNLXURSURR-GJZGRUSLSA-N 1 1 266.429 2.922 20 30 CFEDMO Clc1cccc(C#CC[N@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291972734 381786579 /nfs/dbraw/zinc/78/65/79/381786579.db2.gz VULDYHHBEVLRAX-MRXNPFEDSA-N 1 1 285.778 2.835 20 30 CFEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)C1(CO)CCC1 ZINC000292097907 381789015 /nfs/dbraw/zinc/78/90/15/381789015.db2.gz HLDIDDAPKQUHAE-UHFFFAOYSA-N 1 1 263.768 2.538 20 30 CFEDMO C=CCCC1(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000355663706 381791634 /nfs/dbraw/zinc/79/16/34/381791634.db2.gz RVINEFZGZZBIAP-CQSZACIVSA-N 1 1 276.424 2.866 20 30 CFEDMO C=C(Cl)C[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000299002291 381795812 /nfs/dbraw/zinc/79/58/12/381795812.db2.gz QLRGOCZSPPCRIV-LLVKDONJSA-N 1 1 290.588 2.825 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000343507948 381760564 /nfs/dbraw/zinc/76/05/64/381760564.db2.gz HXXOWQHWACGGKG-XJKSGUPXSA-N 1 1 258.365 2.752 20 30 CFEDMO Cc1nc(N[C@H]2CCC[N@@H+](C)[C@@H]2C)c(Cl)cc1C#N ZINC000360081132 381762078 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C[C@H]1C[C@@H](N(C)Cc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000343530867 381777342 /nfs/dbraw/zinc/77/73/42/381777342.db2.gz DEOIHNIFQVYIKT-YOEHRIQHSA-N 1 1 271.408 2.667 20 30 CFEDMO C[C@H]1C[C@@H](N(C)Cc2ccc(CC#N)cc2)CC[N@H+]1C ZINC000343530867 381777348 /nfs/dbraw/zinc/77/73/48/381777348.db2.gz DEOIHNIFQVYIKT-YOEHRIQHSA-N 1 1 271.408 2.667 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)c1cnccn1 ZINC000298897271 381777524 /nfs/dbraw/zinc/77/75/24/381777524.db2.gz MDEAFROBMKGMIO-CYBMUJFWSA-N 1 1 257.337 2.861 20 30 CFEDMO CC#CCCN1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000360450527 381779107 /nfs/dbraw/zinc/77/91/07/381779107.db2.gz WIEZUEUEZIEEPE-KRWDZBQOSA-N 1 1 270.420 2.996 20 30 CFEDMO CC#CCC[N@@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000360450527 381779113 /nfs/dbraw/zinc/77/91/13/381779113.db2.gz WIEZUEUEZIEEPE-KRWDZBQOSA-N 1 1 270.420 2.996 20 30 CFEDMO CC#CCC[N@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000360450527 381779117 /nfs/dbraw/zinc/77/91/17/381779117.db2.gz WIEZUEUEZIEEPE-KRWDZBQOSA-N 1 1 270.420 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20 30 CFEDMO Cc1nc(C[N@@H+](C)CCCC2(C#N)CCOCC2)cs1 ZINC000337131965 382765443 /nfs/dbraw/zinc/76/54/43/382765443.db2.gz JXPZEEQXSJPERU-UHFFFAOYSA-N 1 1 293.436 2.984 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](Cc2ccccc2)C(C)C)C1=O ZINC000337143030 382767382 /nfs/dbraw/zinc/76/73/82/382767382.db2.gz XYJMCGHLZZLGBP-INIZCTEOSA-N 1 1 272.392 2.684 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+]2Cc3ccccc3C(C)(C)C2)C1=O ZINC000337174027 382771546 /nfs/dbraw/zinc/77/15/46/382771546.db2.gz GSTFABAJOJYUBH-MRXNPFEDSA-N 1 1 284.403 2.567 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)CCc2ccccc2CC)C1=O ZINC000337202850 382775991 /nfs/dbraw/zinc/77/59/91/382775991.db2.gz FRARVBZHRQYEPY-KRWDZBQOSA-N 1 1 286.419 2.510 20 30 CFEDMO C[C@H]1CC[C@](CO)([N@@H+](C)CCCC2(C#N)CCOCC2)C1 ZINC000337204535 382776211 /nfs/dbraw/zinc/77/62/11/382776211.db2.gz IYYJFIHXPWZIQD-RDJZCZTQSA-N 1 1 294.439 2.570 20 30 CFEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CCCC2(C#N)CCOCC2)C1 ZINC000337204534 382776233 /nfs/dbraw/zinc/77/62/33/382776233.db2.gz IYYJFIHXPWZIQD-NVXWUHKLSA-N 1 1 294.439 2.570 20 30 CFEDMO CC[C@H](C)[N@@H+](CCCC(C)(C)C#N)CC(=O)OC ZINC000337217806 382779166 /nfs/dbraw/zinc/77/91/66/382779166.db2.gz ANAWPFYTXYHLIS-LBPRGKRZSA-N 1 1 254.374 2.590 20 30 CFEDMO C[N@H+](CCCN1CCCC1)CCCC1(C#N)CCOCC1 ZINC000337235694 382782595 /nfs/dbraw/zinc/78/25/95/382782595.db2.gz XSCXQBVGUHQXIB-UHFFFAOYSA-N 1 1 293.455 2.505 20 30 CFEDMO C[N@@H+](CCCN1CCCC1)CCCC1(C#N)CCOCC1 ZINC000337235694 382782597 /nfs/dbraw/zinc/78/25/97/382782597.db2.gz XSCXQBVGUHQXIB-UHFFFAOYSA-N 1 1 293.455 2.505 20 30 CFEDMO CC[C@@H](C)[N@@H+](CCCCC(C)(C)C#N)CC(=O)OC ZINC000337247367 382785013 /nfs/dbraw/zinc/78/50/13/382785013.db2.gz OXSNMWDVSLOPKJ-CYBMUJFWSA-N 1 1 268.401 2.980 20 30 CFEDMO C=CC[C@@H]1[N@H+](Cc2nc(N(C)C)no2)CCCC1(C)C ZINC000337247391 382785034 /nfs/dbraw/zinc/78/50/34/382785034.db2.gz OYIAVVODKNDXCJ-LBPRGKRZSA-N 1 1 278.400 2.702 20 30 CFEDMO C=CC[C@@H]1[N@@H+](Cc2nc(N(C)C)no2)CCCC1(C)C ZINC000337247391 382785035 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CCC[N@@H+](CC)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441284757 382905329 /nfs/dbraw/zinc/90/53/29/382905329.db2.gz XHUQTBNIABHYPX-UHFFFAOYSA-N 1 1 270.336 2.840 20 30 CFEDMO C=CC[N@@H+](C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000493982700 382908383 /nfs/dbraw/zinc/90/83/83/382908383.db2.gz SWFMSQAZBIBRBG-CYBMUJFWSA-N 1 1 266.385 2.646 20 30 CFEDMO CCCC[N@@H+](CCOC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000577757033 382869968 /nfs/dbraw/zinc/86/99/68/382869968.db2.gz IJYDSXFYTFPPDH-UHFFFAOYSA-N 1 1 291.351 2.715 20 30 CFEDMO COC(=O)[C@H]1CCCC[N@@H+]1CCCCC(C)(C)C#N ZINC000234544127 382873982 /nfs/dbraw/zinc/87/39/82/382873982.db2.gz RAURSTDLKUXDSQ-CYBMUJFWSA-N 1 1 266.385 2.734 20 30 CFEDMO COC(=O)[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000234544127 382873984 /nfs/dbraw/zinc/87/39/84/382873984.db2.gz RAURSTDLKUXDSQ-CYBMUJFWSA-N 1 1 266.385 2.734 20 30 CFEDMO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccncc1F ZINC000337942880 382875476 /nfs/dbraw/zinc/87/54/76/382875476.db2.gz BETQZVIWIHTCGF-LLVKDONJSA-N 1 1 255.296 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COC(=O)c1cccc(C[N@@H+](C(C)C)C2CC2)c1C#N ZINC000535218287 382953775 /nfs/dbraw/zinc/95/37/75/382953775.db2.gz CVDZIJXZABWBCV-UHFFFAOYSA-N 1 1 272.348 2.718 20 30 CFEDMO C=CC[N@H+](C[C@@H]1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 ZINC000535797053 382955205 /nfs/dbraw/zinc/95/52/05/382955205.db2.gz MNJLEGUFARRINT-CABCVRRESA-N 1 1 299.480 2.878 20 30 CFEDMO CC[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000578840538 382959204 /nfs/dbraw/zinc/95/92/04/382959204.db2.gz HWSAYGPWWFUISO-RHSMWYFYSA-N 1 1 271.408 2.941 20 30 CFEDMO CC[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000578840538 382959205 /nfs/dbraw/zinc/95/92/05/382959205.db2.gz HWSAYGPWWFUISO-RHSMWYFYSA-N 1 1 271.408 2.941 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000538288859 382959258 /nfs/dbraw/zinc/95/92/58/382959258.db2.gz RDDGCTRKAUJDRD-GJZGRUSLSA-N 1 1 281.444 2.761 20 30 CFEDMO C[C@@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC(C)(C)C1 ZINC000541325826 382965033 /nfs/dbraw/zinc/96/50/33/382965033.db2.gz 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CN(C)c1ncc(C[N@@H+](C)CCCCC(C)(C)C#N)cn1 ZINC000444667304 382976879 /nfs/dbraw/zinc/97/68/79/382976879.db2.gz CAGPDEXPWXZFMU-UHFFFAOYSA-N 1 1 289.427 2.694 20 30 CFEDMO C#CCCC[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495276709 382977269 /nfs/dbraw/zinc/97/72/69/382977269.db2.gz PVHPRYJSTVYTJC-KGLIPLIRSA-N 1 1 280.412 2.635 20 30 CFEDMO Cc1cc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)ccc1C#N ZINC000447843086 383016611 /nfs/dbraw/zinc/01/66/11/383016611.db2.gz LDCHACBWIHEJSC-YOEHRIQHSA-N 1 1 272.392 2.992 20 30 CFEDMO C=CC[C@H]1[N@H+](CC(=O)N2CCCC2)CCCC1(C)C ZINC000444780733 382980484 /nfs/dbraw/zinc/98/04/84/382980484.db2.gz FKCRDRJUOZXKPC-CQSZACIVSA-N 1 1 264.413 2.676 20 30 CFEDMO CCC[C@]1(C(=O)OCC)CCC[N@H+]1CCCSCC#N ZINC000444775451 382980803 /nfs/dbraw/zinc/98/08/03/382980803.db2.gz NHDIKLKDMOQHCX-OAHLLOKOSA-N 1 1 298.452 2.831 20 30 CFEDMO CC(C)[C@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000444772181 382981428 /nfs/dbraw/zinc/98/14/28/382981428.db2.gz MKMFFSONYINPKP-HNNXBMFYSA-N 1 1 291.439 2.697 20 30 CFEDMO C=CC[C@H]1[N@H+](C[C@H](O)C(F)(F)F)CCCC1(C)C ZINC000444788542 382981785 /nfs/dbraw/zinc/98/17/85/382981785.db2.gz WLNWZTKTIITFKK-MNOVXSKESA-N 1 1 265.319 2.976 20 30 CFEDMO C=CC[C@H]1[N@@H+](CC(=O)N(CC)CC)CCCC1(C)C ZINC000444782515 382982174 /nfs/dbraw/zinc/98/21/74/382982174.db2.gz IXOUIVYSCRHQPW-CQSZACIVSA-N 1 1 266.429 2.922 20 30 CFEDMO C=CC[C@@H]1[N@@H+](CC(=O)N(C)CC)CCCC1(C)C ZINC000444784471 382982586 /nfs/dbraw/zinc/98/25/86/382982586.db2.gz NYLLJUFDVYJOPD-ZDUSSCGKSA-N 1 1 252.402 2.531 20 30 CFEDMO C=C(C)C[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000445457992 382983866 /nfs/dbraw/zinc/98/38/66/382983866.db2.gz SEICVYZOOQDOBK-UHFFFAOYSA-N 1 1 250.308 2.521 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000280288104 194783808 /nfs/dbraw/zinc/78/38/08/194783808.db2.gz DYUDDNQZFONLJR-QGZVFWFLSA-N 1 1 288.391 2.958 20 30 CFEDMO CCC1(CC)CC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000446737105 382990741 /nfs/dbraw/zinc/99/07/41/382990741.db2.gz 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/nfs/dbraw/zinc/20/60/64/394206064.db2.gz QPBCEPLGTQFULV-BLLLJJGKSA-N 1 1 298.415 2.542 20 30 CFEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000364411047 394210395 /nfs/dbraw/zinc/21/03/95/394210395.db2.gz WJEKNSXOMGVJFV-JKSUJKDBSA-N 1 1 274.339 2.841 20 30 CFEDMO N#Cc1ccc(F)cc1C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000364411047 394210400 /nfs/dbraw/zinc/21/04/00/394210400.db2.gz WJEKNSXOMGVJFV-JKSUJKDBSA-N 1 1 274.339 2.841 20 30 CFEDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000421380345 394210473 /nfs/dbraw/zinc/21/04/73/394210473.db2.gz VJNILMVLIKEBCV-ZWNOBZJWSA-N 1 1 298.308 2.922 20 30 CFEDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000421380345 394210477 /nfs/dbraw/zinc/21/04/77/394210477.db2.gz VJNILMVLIKEBCV-ZWNOBZJWSA-N 1 1 298.308 2.922 20 30 CFEDMO COCCC1(C)C[NH+](Cc2ccc(C#N)c(F)c2)C1 ZINC000421379448 394210507 /nfs/dbraw/zinc/21/05/07/394210507.db2.gz IWNVZXWGDPEWMH-UHFFFAOYSA-N 1 1 262.328 2.556 20 30 CFEDMO CC1(C)CCC[N@H+]1CCNCc1ccc(C#N)c(F)c1 ZINC000421384165 394213937 /nfs/dbraw/zinc/21/39/37/394213937.db2.gz OJMXDYJDAOGRLF-UHFFFAOYSA-N 1 1 275.371 2.661 20 30 CFEDMO CC1(C)CCCN1CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421384165 394213939 /nfs/dbraw/zinc/21/39/39/394213939.db2.gz OJMXDYJDAOGRLF-UHFFFAOYSA-N 1 1 275.371 2.661 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)o1 ZINC000364462633 394217101 /nfs/dbraw/zinc/21/71/01/394217101.db2.gz MKGZYDSUVXDNHK-CQSZACIVSA-N 1 1 260.337 2.542 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)o1 ZINC000364462633 394217108 /nfs/dbraw/zinc/21/71/08/394217108.db2.gz MKGZYDSUVXDNHK-CQSZACIVSA-N 1 1 260.337 2.542 20 30 CFEDMO N#CCCC[N@H+]1CC[C@](F)(c2ccc(F)cc2)C1 ZINC000367068259 394250645 /nfs/dbraw/zinc/25/06/45/394250645.db2.gz WLNWOMVTVCAQIL-CQSZACIVSA-N 1 1 250.292 3.000 20 30 CFEDMO N#CCCC[N@@H+]1CC[C@](F)(c2ccc(F)cc2)C1 ZINC000367068259 394250648 /nfs/dbraw/zinc/25/06/48/394250648.db2.gz WLNWOMVTVCAQIL-CQSZACIVSA-N 1 1 250.292 3.000 20 30 CFEDMO CC[C@H]1CCCCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000150743302 394251037 /nfs/dbraw/zinc/25/10/37/394251037.db2.gz GXYUEQOISWFVMU-HOCLYGCPSA-N 1 1 279.428 2.695 20 30 CFEDMO C[C@H](CNCc1ccc(C#N)c(F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000421324559 394188501 /nfs/dbraw/zinc/18/85/01/394188501.db2.gz IQVPXQWUDGPAEL-UONOGXRCSA-N 1 1 289.398 2.907 20 30 CFEDMO C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)N1CCC[C@H](C)C1 ZINC000421324559 394188505 /nfs/dbraw/zinc/18/85/05/394188505.db2.gz IQVPXQWUDGPAEL-UONOGXRCSA-N 1 1 289.398 2.907 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000363180468 394194482 /nfs/dbraw/zinc/19/44/82/394194482.db2.gz DUVQDSNSZYWGKQ-AJSFGMTHSA-N 1 1 270.376 2.712 20 30 CFEDMO C#CCSCC[NH2+][C@@H](CC)c1ccc(F)cc1O ZINC000286237648 394195233 /nfs/dbraw/zinc/19/52/33/394195233.db2.gz TWKDZDJKPJKUSN-ZDUSSCGKSA-N 1 1 267.369 2.938 20 30 CFEDMO CC(C)[N@@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCOC1 ZINC000291948609 394269468 /nfs/dbraw/zinc/26/94/68/394269468.db2.gz UMLPHUHQQFWUGP-HNNXBMFYSA-N 1 1 283.375 2.810 20 30 CFEDMO CC[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1ccc(C#N)cc1 ZINC000423359083 394278720 /nfs/dbraw/zinc/27/87/20/394278720.db2.gz KCHYFGCLKOBVCV-KCXAZCMYSA-N 1 1 257.381 2.597 20 30 CFEDMO OC[C@H]1CCC[N@@H+](CC#Cc2cccc(Cl)c2)CC1 ZINC000293181734 394281534 /nfs/dbraw/zinc/28/15/34/394281534.db2.gz PQTLMMAZQOTMFG-HNNXBMFYSA-N 1 1 277.795 2.786 20 30 CFEDMO OC[C@@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000293181990 394281643 /nfs/dbraw/zinc/28/16/43/394281643.db2.gz PTFVBCVJSSCTJP-OAHLLOKOSA-N 1 1 277.795 2.786 20 30 CFEDMO C=CCC[C@@H](O)CN1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371179958 394298760 /nfs/dbraw/zinc/29/87/60/394298760.db2.gz ZQBPJWWLXZZETE-DLBZAZTESA-N 1 1 280.456 2.511 20 30 CFEDMO C=CC[N@H+](C)Cc1cc(Br)ccc1O ZINC000154765340 394301408 /nfs/dbraw/zinc/30/14/08/394301408.db2.gz HKDITOHLQKNRQQ-UHFFFAOYSA-N 1 1 256.143 2.773 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCCC12CCCCC2 ZINC000372278292 394309070 /nfs/dbraw/zinc/30/90/70/394309070.db2.gz PQNGWMAUJJMVQY-INIZCTEOSA-N 1 1 291.439 2.840 20 30 CFEDMO CCC[N@@H+](CCOc1ccc(C#N)cc1OC)C1CC1 ZINC000157898971 394351756 /nfs/dbraw/zinc/35/17/56/394351756.db2.gz YZISFMWHKLTQHX-UHFFFAOYSA-N 1 1 274.364 2.820 20 30 CFEDMO C[C@@]1(F)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000451117600 394359438 /nfs/dbraw/zinc/35/94/38/394359438.db2.gz VIUSROOUGSKNPK-MRXNPFEDSA-N 1 1 289.354 2.711 20 30 CFEDMO C[C@]1(F)CCC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000451117599 394359526 /nfs/dbraw/zinc/35/95/26/394359526.db2.gz VIUSROOUGSKNPK-INIZCTEOSA-N 1 1 289.354 2.711 20 30 CFEDMO Cc1ccc(C#N)c(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000162013438 394367629 /nfs/dbraw/zinc/36/76/29/394367629.db2.gz CYROCNLAUNBRES-AWEZNQCLSA-N 1 1 284.407 2.715 20 30 CFEDMO Cc1ccc(C#N)c(N2CCC([N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000162013596 394367755 /nfs/dbraw/zinc/36/77/55/394367755.db2.gz CYROCNLAUNBRES-CQSZACIVSA-N 1 1 284.407 2.715 20 30 CFEDMO COCC[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000515068315 394369389 /nfs/dbraw/zinc/36/93/89/394369389.db2.gz FMYZMEDDLLZMES-AWEZNQCLSA-N 1 1 273.380 2.592 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+]2CCC[C@]2(C)CC(C)C)C1=O ZINC000451291636 394373945 /nfs/dbraw/zinc/37/39/45/394373945.db2.gz QDSWUVPSNKUHKL-GDBMZVCRSA-N 1 1 264.413 2.674 20 30 CFEDMO C[C@H]1C[C@H]1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000519667888 394374610 /nfs/dbraw/zinc/37/46/10/394374610.db2.gz FZCJBJARLHAVAJ-BBRMVZONSA-N 1 1 258.365 2.663 20 30 CFEDMO C[C@@H]1C[C@]1(C#N)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000451357380 394376133 /nfs/dbraw/zinc/37/61/33/394376133.db2.gz GOFCWTXXDZCCGO-MEBBXXQBSA-N 1 1 291.782 2.890 20 30 CFEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(CC#N)c2)C1 ZINC000173813725 394376717 /nfs/dbraw/zinc/37/67/17/394376717.db2.gz XANUQLPHAOAWGP-MRXNPFEDSA-N 1 1 299.418 2.557 20 30 CFEDMO C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000174818689 394379964 /nfs/dbraw/zinc/37/99/64/394379964.db2.gz WPZZFGQUEPCMJV-UHFFFAOYSA-N 1 1 281.359 2.832 20 30 CFEDMO C[N@@H+](CC(=O)c1cn(CCC#N)c2ccccc12)C1CC1 ZINC000174818689 394379966 /nfs/dbraw/zinc/37/99/66/394379966.db2.gz WPZZFGQUEPCMJV-UHFFFAOYSA-N 1 1 281.359 2.832 20 30 CFEDMO CCn1ccnc1C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000453303125 394383806 /nfs/dbraw/zinc/38/38/06/394383806.db2.gz AGGSOYWPZOXAGX-HNNXBMFYSA-N 1 1 266.348 2.552 20 30 CFEDMO CCc1ncc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)o1 ZINC000453391817 394395271 /nfs/dbraw/zinc/39/52/71/394395271.db2.gz QOVYZJVJDNFUME-OAHLLOKOSA-N 1 1 267.332 2.886 20 30 CFEDMO COC(=O)c1cccc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1C#N ZINC000535756065 394542685 /nfs/dbraw/zinc/54/26/85/394542685.db2.gz QPQFYPKBAUKQFW-CHWSQXEVSA-N 1 1 286.375 2.823 20 30 CFEDMO CCC1CC[NH+](Cc2cccc(C(=O)OC)c2C#N)CC1 ZINC000535965305 394550973 /nfs/dbraw/zinc/55/09/73/394550973.db2.gz WUUBQIBQBPRQBI-UHFFFAOYSA-N 1 1 286.375 2.967 20 30 CFEDMO COc1ccccc1[C@H](CO)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000539508189 394627261 /nfs/dbraw/zinc/62/72/61/394627261.db2.gz UUDDBYFMKXVOPY-DYVFJYSZSA-N 1 1 296.370 2.951 20 30 CFEDMO COc1ccccc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000539508191 394627360 /nfs/dbraw/zinc/62/73/60/394627360.db2.gz UUDDBYFMKXVOPY-SUMWQHHRSA-N 1 1 296.370 2.951 20 30 CFEDMO C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000540705164 394651701 /nfs/dbraw/zinc/65/17/01/394651701.db2.gz BMIOJRTZPRVAQA-QWHCGFSZSA-N 1 1 275.371 2.690 20 30 CFEDMO C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(C#N)c(F)c1 ZINC000540705164 394651709 /nfs/dbraw/zinc/65/17/09/394651709.db2.gz BMIOJRTZPRVAQA-QWHCGFSZSA-N 1 1 275.371 2.690 20 30 CFEDMO C[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000543763038 394742696 /nfs/dbraw/zinc/74/26/96/394742696.db2.gz XRKYLXCDUJGROT-QWHCGFSZSA-N 1 1 275.371 2.690 20 30 CFEDMO C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(C#N)cc1F ZINC000543763038 394742697 /nfs/dbraw/zinc/74/26/97/394742697.db2.gz XRKYLXCDUJGROT-QWHCGFSZSA-N 1 1 275.371 2.690 20 30 CFEDMO Cc1ccccc1[C@@H](CO)[NH2+]Cc1cccc(C#N)c1F ZINC000543840246 394744532 /nfs/dbraw/zinc/74/45/32/394744532.db2.gz RDCOPBPIVKNQTN-MRXNPFEDSA-N 1 1 284.334 2.829 20 30 CFEDMO N#Cc1ccc(C[N@H+](CCCN2CCCC2=O)C2CC2)cc1 ZINC000544112170 394751649 /nfs/dbraw/zinc/75/16/49/394751649.db2.gz SFPPSHSKWQYCCP-UHFFFAOYSA-N 1 1 297.402 2.535 20 30 CFEDMO CCCC[N@@H+](C)CC1CCN(c2ccncc2C#N)CC1 ZINC000546654339 394835946 /nfs/dbraw/zinc/83/59/46/394835946.db2.gz LKQKANDNMXZQKU-UHFFFAOYSA-N 1 1 286.423 2.902 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000555879020 394985640 /nfs/dbraw/zinc/98/56/40/394985640.db2.gz UKPIEWMTHUVPJA-INIZCTEOSA-N 1 1 293.370 2.951 20 30 CFEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2csc(=O)[nH]2)C1 ZINC000329967352 533673244 /nfs/dbraw/zinc/67/32/44/533673244.db2.gz WDJPDSZWLJMCHW-SNVBAGLBSA-N 1 1 297.424 2.664 20 30 CFEDMO CN(C)CC[N@H+](Cc1ccc(C#N)cc1)CC1(C)CC1 ZINC000554874528 394960825 /nfs/dbraw/zinc/96/08/25/394960825.db2.gz IGKORWGTBYAXCD-UHFFFAOYSA-N 1 1 271.408 2.722 20 30 CFEDMO CN(C)CC[N@@H+](Cc1ccc(C#N)cc1)CC1(C)CC1 ZINC000554874528 394960829 /nfs/dbraw/zinc/96/08/29/394960829.db2.gz IGKORWGTBYAXCD-UHFFFAOYSA-N 1 1 271.408 2.722 20 30 CFEDMO C=CCCCN(C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648790459 395312662 /nfs/dbraw/zinc/31/26/62/395312662.db2.gz NHLSZGAGDWVJGM-CYBMUJFWSA-N 1 1 263.385 2.821 20 30 CFEDMO C=CCOc1ccc(CN2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000647498119 395361807 /nfs/dbraw/zinc/36/18/07/395361807.db2.gz ATVNINJDWYPDFX-DOTOQJQBSA-N 1 1 274.408 2.811 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N(CCC)[C@H]1CC[N@@H+](C)C1 ZINC000648997500 395390542 /nfs/dbraw/zinc/39/05/42/395390542.db2.gz QYNIXPMNMHFLKU-KBPBESRZSA-N 1 1 252.402 2.531 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+](C)CCOc1ccccc1Cl ZINC000649222743 395454444 /nfs/dbraw/zinc/45/44/44/395454444.db2.gz UVCQKPFVVTVQAJ-ZDUSSCGKSA-N 1 1 269.772 2.588 20 30 CFEDMO CC#CCCCC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000649103772 395428407 /nfs/dbraw/zinc/42/84/07/395428407.db2.gz QNQDKXIZSPLLMY-MSOLQXFVSA-N 1 1 298.430 2.642 20 30 CFEDMO C=CCCCC[N@H+]1CCCNC(=O)[C@H]1Cc1ccccc1 ZINC000649650463 395545484 /nfs/dbraw/zinc/54/54/84/395545484.db2.gz BZHULQWSXNWEKQ-QGZVFWFLSA-N 1 1 286.419 2.776 20 30 CFEDMO C=CCOCC[N@@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000649661537 395548204 /nfs/dbraw/zinc/54/82/04/395548204.db2.gz CQSXLZYFLCBFNJ-INIZCTEOSA-N 1 1 263.356 2.992 20 30 CFEDMO C=CCC(CC=C)C(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000650153036 395617324 /nfs/dbraw/zinc/61/73/24/395617324.db2.gz NXNRWZNMZKXICG-RDBSUJKOSA-N 1 1 264.413 2.694 20 30 CFEDMO C=CCC(CC=C)C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@H]1C ZINC000650153035 395617623 /nfs/dbraw/zinc/61/76/23/395617623.db2.gz NXNRWZNMZKXICG-MGPQQGTHSA-N 1 1 264.413 2.694 20 30 CFEDMO C=C(C)CC[N@@H+]1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000649827227 395577374 /nfs/dbraw/zinc/57/73/74/395577374.db2.gz KOXKPNIHLIWONS-KRWDZBQOSA-N 1 1 258.409 2.811 20 30 CFEDMO C[C@H](CCO)[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000649868116 395583244 /nfs/dbraw/zinc/58/32/44/395583244.db2.gz ZQKPIDQGLUGEJG-GFCCVEGCSA-N 1 1 285.309 2.760 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000191633413 543079846 /nfs/dbraw/zinc/07/98/46/543079846.db2.gz USBKAHSQDHWKOW-HUUCEWRRSA-N 1 1 292.398 2.663 20 30 CFEDMO C=CCC(C)(C)CNC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000352489013 413113308 /nfs/dbraw/zinc/11/33/08/413113308.db2.gz WXVWWFFHOLFYNI-CQSZACIVSA-N 1 1 266.429 2.969 20 30 CFEDMO C#CC[N@@H+](Cc1cc(C)nn1C)[C@H]1CCc2ccccc21 ZINC000491383093 397580594 /nfs/dbraw/zinc/58/05/94/397580594.db2.gz KNBFEZZZXCCLLL-SFHVURJKSA-N 1 1 279.387 2.851 20 30 CFEDMO C#CC[N@H+](Cc1cc(C)nn1C)[C@H]1CCc2ccccc21 ZINC000491383093 397580596 /nfs/dbraw/zinc/58/05/96/397580596.db2.gz KNBFEZZZXCCLLL-SFHVURJKSA-N 1 1 279.387 2.851 20 30 CFEDMO C=C(C)C[N@@H+](CC)C[C@@H](O)COc1c(C)cccc1C ZINC000046342188 397581310 /nfs/dbraw/zinc/58/13/10/397581310.db2.gz ZIVGTYYWURTHKB-MRXNPFEDSA-N 1 1 277.408 2.941 20 30 CFEDMO COC[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000307764064 397645401 /nfs/dbraw/zinc/64/54/01/397645401.db2.gz LBBPODBBEKOHBA-CQSZACIVSA-N 1 1 262.328 2.698 20 30 CFEDMO CC(C)CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000048349327 397589576 /nfs/dbraw/zinc/58/95/76/397589576.db2.gz FBZBWYIEJRYXCB-ZDUSSCGKSA-N 1 1 273.380 2.863 20 30 CFEDMO CCCCC(N)=[NH+]OCC(=O)N(CC)c1ccccc1 ZINC000177566219 397609127 /nfs/dbraw/zinc/60/91/27/397609127.db2.gz JMGQYSIXMRKGMH-UHFFFAOYSA-N 1 1 277.368 2.519 20 30 CFEDMO C=CCOCCC[N@@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000348028063 397657653 /nfs/dbraw/zinc/65/76/53/397657653.db2.gz CDIKSPMTTAGXSY-KRWDZBQOSA-N 1 1 291.391 2.661 20 30 CFEDMO C=CCOCCC[N@H+]1CCO[C@H](c2cccc(OC)c2)C1 ZINC000348028063 397657656 /nfs/dbraw/zinc/65/76/56/397657656.db2.gz CDIKSPMTTAGXSY-KRWDZBQOSA-N 1 1 291.391 2.661 20 30 CFEDMO COCC#CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1C ZINC000650269565 397740512 /nfs/dbraw/zinc/74/05/12/397740512.db2.gz VXDQKEFWMCUDJK-MRXNPFEDSA-N 1 1 261.340 2.921 20 30 CFEDMO C=CCC1(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CCCCC1 ZINC000650511685 397817816 /nfs/dbraw/zinc/81/78/16/397817816.db2.gz DQALUFJNZVCFSA-GJZGRUSLSA-N 1 1 276.424 2.676 20 30 CFEDMO CSCC[C@@H](C)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356122491 155167639 /nfs/dbraw/zinc/16/76/39/155167639.db2.gz LTNYQEIIPJGXDP-SECBINFHSA-N 1 1 255.412 2.588 20 30 CFEDMO CSCC[C@@H](C)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356122491 155167643 /nfs/dbraw/zinc/16/76/43/155167643.db2.gz LTNYQEIIPJGXDP-SECBINFHSA-N 1 1 255.412 2.588 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)Cc1sc(C)nc1C ZINC000411637060 413234331 /nfs/dbraw/zinc/23/43/31/413234331.db2.gz FIFXGGNFGYBMEY-UHFFFAOYSA-N 1 1 267.442 2.700 20 30 CFEDMO C=CCN(C)CC[N@@H+](CC)Cc1sc(C)nc1C ZINC000411637060 413234339 /nfs/dbraw/zinc/23/43/39/413234339.db2.gz FIFXGGNFGYBMEY-UHFFFAOYSA-N 1 1 267.442 2.700 20 30 CFEDMO C=CCN(C)CC[N@H+](CC)Cc1sc(C)nc1C ZINC000411637060 413234346 /nfs/dbraw/zinc/23/43/46/413234346.db2.gz FIFXGGNFGYBMEY-UHFFFAOYSA-N 1 1 267.442 2.700 20 30 CFEDMO CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C[C@H](C)O ZINC000356346321 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CC[N@H+]1C[C@@H](C)N(c2ccc(F)cc2C#N)C[C@@H]1C ZINC000345165571 162192769 /nfs/dbraw/zinc/19/27/69/162192769.db2.gz AVNRNOBHKDEVMO-NWDGAFQWSA-N 1 1 261.344 2.616 20 30 CFEDMO CC[N@H+]1C[C@@H](C)N(c2ccc(C#N)cc2F)C[C@@H]1C ZINC000345173410 162195435 /nfs/dbraw/zinc/19/54/35/162195435.db2.gz MYDVILUMTDIHNX-NWDGAFQWSA-N 1 1 261.344 2.616 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(C#N)cc2F)C[C@@H]1C ZINC000346195589 162349147 /nfs/dbraw/zinc/34/91/47/162349147.db2.gz RZBMXZLCJAQKGS-STQMWFEESA-N 1 1 275.371 2.612 20 30 CFEDMO C=CCCn1cc(C[N@H+](C)[C@H](C)CCCC)nn1 ZINC000653684816 413449689 /nfs/dbraw/zinc/44/96/89/413449689.db2.gz BKBMMSLEADHBBL-CYBMUJFWSA-N 1 1 250.390 2.865 20 30 CFEDMO N#Cc1nc(N2CCC(c3[nH]cc[nH+]3)CC2)ccc1Cl ZINC000350727830 163100385 /nfs/dbraw/zinc/10/03/85/163100385.db2.gz ATGMRMSJCXGVJJ-UHFFFAOYSA-N 1 1 287.754 2.714 20 30 CFEDMO C[C@@H]1CC[C@H]([N@@H+](CCO)Cc2cccc(C#N)c2F)C1 ZINC000351633465 163161552 /nfs/dbraw/zinc/16/15/52/163161552.db2.gz ZDQSEDXLBMLSOV-DOMZBBRYSA-N 1 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CFEDMO C[C@@H](C[N@H+](CCCC#N)[C@H](C)CO)c1ccccc1 ZINC000347368767 226136502 /nfs/dbraw/zinc/13/65/02/226136502.db2.gz MYHBHQYZZMDARY-LSDHHAIUSA-N 1 1 260.381 2.777 20 30 CFEDMO C[C@@H](C[N@H+](CCCC#N)[C@@H](C)CO)c1ccccc1 ZINC000347368764 226136805 /nfs/dbraw/zinc/13/68/05/226136805.db2.gz MYHBHQYZZMDARY-GJZGRUSLSA-N 1 1 260.381 2.777 20 30 CFEDMO Cn1nccc1[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000367007172 226376213 /nfs/dbraw/zinc/37/62/13/226376213.db2.gz NCUOYFQYZATLNG-ZDUSSCGKSA-N 1 1 260.385 2.539 20 30 CFEDMO Cc1nnsc1CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000329102719 227298508 /nfs/dbraw/zinc/29/85/08/227298508.db2.gz FRSOLORRHXNHIK-LBPRGKRZSA-N 1 1 294.424 2.710 20 30 CFEDMO Cc1nc(CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(C)o1 ZINC000329106506 227299862 /nfs/dbraw/zinc/29/98/62/227299862.db2.gz HMTHUZIDVUANMC-PHIMTYICSA-N 1 1 279.384 2.663 20 30 CFEDMO Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330021527 228018987 /nfs/dbraw/zinc/01/89/87/228018987.db2.gz 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COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000083243478 260347177 /nfs/dbraw/zinc/34/71/77/260347177.db2.gz LHGXHAISRPDZQG-ZACQAIPSSA-N 1 1 298.386 2.894 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N[C@H](C)c1ccc(C)c(C)c1 ZINC000181287746 260577692 /nfs/dbraw/zinc/57/76/92/260577692.db2.gz KJGLLPNISYVJIT-OAHLLOKOSA-N 1 1 274.408 2.989 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1(C#N)CCCCC1 ZINC000044426512 260646081 /nfs/dbraw/zinc/64/60/81/260646081.db2.gz FMUJXAJHKGNCTC-OAHLLOKOSA-N 1 1 291.439 2.841 20 30 CFEDMO C=CCCCC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000359066348 260721075 /nfs/dbraw/zinc/72/10/75/260721075.db2.gz CQZWQHXFDHXCRZ-KGLIPLIRSA-N 1 1 252.402 2.722 20 30 CFEDMO C=CCOc1cccc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c1 ZINC000428474235 260753997 /nfs/dbraw/zinc/75/39/97/260753997.db2.gz RGUILFQGBXFIPW-IAGOWNOFSA-N 1 1 275.392 2.987 20 30 CFEDMO CC(C)CC[N@H+](CCC#N)C[C@H](O)c1ccc(C#N)cc1 ZINC000156629451 261128235 /nfs/dbraw/zinc/12/82/35/261128235.db2.gz 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C=CCOCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000361382419 261231202 /nfs/dbraw/zinc/23/12/02/261231202.db2.gz VMNFSABJYCMASI-ZACQAIPSSA-N 1 1 281.440 2.985 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1c[nH]nc1-c1cccs1 ZINC000361640609 261363192 /nfs/dbraw/zinc/36/31/92/261363192.db2.gz VESGBOBEPRGSAX-UHFFFAOYSA-N 1 1 277.393 2.773 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1-c1ccnn1C ZINC000491201041 261368081 /nfs/dbraw/zinc/36/80/81/261368081.db2.gz FEKZPCWZOXSISW-CQSZACIVSA-N 1 1 267.376 2.849 20 30 CFEDMO CC[C@H](CC#N)NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000184090769 262008586 /nfs/dbraw/zinc/00/85/86/262008586.db2.gz UFVFMFNDMGKGEG-QGZVFWFLSA-N 1 1 296.418 2.805 20 30 CFEDMO C[C@@H](C[NH+]1CCN(CC#N)CC1)c1cccc(Cl)c1 ZINC000187144096 262126049 /nfs/dbraw/zinc/12/60/49/262126049.db2.gz VFXNYLDQHXFKAJ-ZDUSSCGKSA-N 1 1 277.799 2.585 20 30 CFEDMO CC#CCC[N@H+]1C[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000497304694 262139867 /nfs/dbraw/zinc/13/98/67/262139867.db2.gz MXJAAQXAISQCHD-LSDHHAIUSA-N 1 1 292.423 2.589 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000191497767 262192615 /nfs/dbraw/zinc/19/26/15/262192615.db2.gz GPDYCXKZNFJVHM-CQSZACIVSA-N 1 1 260.385 2.708 20 30 CFEDMO C#CC[C@H](C)[NH2+][C@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364351734 262213722 /nfs/dbraw/zinc/21/37/22/262213722.db2.gz HNJRLMFAUJYAPH-LZLYRXPVSA-N 1 1 270.420 2.898 20 30 CFEDMO C[C@H](CC1CCOCC1)C[N@@H+](C)CC(C)(C)C#N ZINC000354019175 262276650 /nfs/dbraw/zinc/27/66/50/262276650.db2.gz VCIDRKOHVOSGPW-CYBMUJFWSA-N 1 1 252.402 2.921 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000054183808 262259713 /nfs/dbraw/zinc/25/97/13/262259713.db2.gz UDEOUDKWOUWQKQ-CQSZACIVSA-N 1 1 254.337 2.654 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000054183783 262259768 /nfs/dbraw/zinc/25/97/68/262259768.db2.gz CBJBJVBBAXIQGQ-LBPRGKRZSA-N 1 1 258.325 2.760 20 30 CFEDMO CC(C)CCC[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000364850622 262262556 /nfs/dbraw/zinc/26/25/56/262262556.db2.gz CAGHPRQONQQSJY-KBXCAEBGSA-N 1 1 297.402 2.768 20 30 CFEDMO C#CCCCCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000119495632 262274551 /nfs/dbraw/zinc/27/45/51/262274551.db2.gz YNCMRYRAMSYDFP-UHFFFAOYSA-N 1 1 298.430 2.833 20 30 CFEDMO CC(C)CCN(CCC#N)C(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000354815297 262293505 /nfs/dbraw/zinc/29/35/05/262293505.db2.gz UFMVUQBKULSPHL-HUUCEWRRSA-N 1 1 279.428 2.505 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000496644766 262349858 /nfs/dbraw/zinc/34/98/58/262349858.db2.gz AMGFYBVNUYUGFX-QWHCGFSZSA-N 1 1 281.400 2.668 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000373217993 262360867 /nfs/dbraw/zinc/36/08/67/262360867.db2.gz QJVYRTLMDCALBT-ZNMIVQPWSA-N 1 1 264.413 2.722 20 30 CFEDMO C#CCCCCNC(=O)[C@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000365388102 262363362 /nfs/dbraw/zinc/36/33/62/262363362.db2.gz HCCQNJGXOJQCOM-INIZCTEOSA-N 1 1 299.418 2.526 20 30 CFEDMO C#CCCCC(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000365403308 262364413 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262520455 /nfs/dbraw/zinc/52/04/55/262520455.db2.gz PJUUTUGEUPJXBG-GOSISDBHSA-N 1 1 289.419 2.605 20 30 CFEDMO C=CCOCC[N@H+](C)[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000339044495 262586850 /nfs/dbraw/zinc/58/68/50/262586850.db2.gz NBGJRIJETAXJCX-ZIAGYGMSSA-N 1 1 255.402 2.715 20 30 CFEDMO CC#CC[N@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000339755826 262665497 /nfs/dbraw/zinc/66/54/97/262665497.db2.gz YUHPQJHAVXTZTP-UHFFFAOYSA-N 1 1 258.296 2.936 20 30 CFEDMO CC#CC[N@@H+](C)Cc1cc(-c2ccc(F)cc2)no1 ZINC000339755826 262665498 /nfs/dbraw/zinc/66/54/98/262665498.db2.gz YUHPQJHAVXTZTP-UHFFFAOYSA-N 1 1 258.296 2.936 20 30 CFEDMO C#CCCC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366544493 262695486 /nfs/dbraw/zinc/69/54/86/262695486.db2.gz MGYZWBYLCNBDRI-CABCVRRESA-N 1 1 292.423 2.731 20 30 CFEDMO Cc1ccc(NC(=[NH2+])NC[C@H](C)N(C)C2CC2)cc1C ZINC000264252712 262885975 /nfs/dbraw/zinc/88/59/75/262885975.db2.gz HOWJEVAQVWCXKG-ZDUSSCGKSA-N 1 1 274.412 2.513 20 30 CFEDMO CCN(CC)C(=[NH2+])NCC(C)(C)N[C@H](C)c1ccccc1 ZINC000267453627 262931723 /nfs/dbraw/zinc/93/17/23/262931723.db2.gz SBYNPRWYUVSGCZ-CQSZACIVSA-N 1 1 290.455 2.772 20 30 CFEDMO CC(C)(C#N)CC[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000271989141 263000814 /nfs/dbraw/zinc/00/08/14/263000814.db2.gz DKKSZOCJTJMFCX-MRXNPFEDSA-N 1 1 272.392 2.870 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000271989141 263000815 /nfs/dbraw/zinc/00/08/15/263000815.db2.gz DKKSZOCJTJMFCX-MRXNPFEDSA-N 1 1 272.392 2.870 20 30 CFEDMO C[N@@H+](CCC(C)(C)C#N)C[C@H]1COc2ccccc2O1 ZINC000271987915 263000948 /nfs/dbraw/zinc/00/09/48/263000948.db2.gz DBPTXKYJSMNBJC-ZDUSSCGKSA-N 1 1 274.364 2.698 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCc2ccccc2[C@H]1CO ZINC000272019457 263001424 /nfs/dbraw/zinc/00/14/24/263001424.db2.gz MJLJWULGLCUKAP-OAHLLOKOSA-N 1 1 258.365 2.518 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000272074818 263001946 /nfs/dbraw/zinc/00/19/46/263001946.db2.gz ZYIOXQGOEPHXCK-CQSZACIVSA-N 1 1 297.406 2.849 20 30 CFEDMO CC1(C#N)CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000272492133 263005303 /nfs/dbraw/zinc/00/53/03/263005303.db2.gz DXQBBHXVJBREQB-UHFFFAOYSA-N 1 1 258.321 2.541 20 30 CFEDMO COC(=O)c1ccc([C@H](C)[NH+]2CCC(C)(C#N)CC2)o1 ZINC000272572617 263006900 /nfs/dbraw/zinc/00/69/00/263006900.db2.gz NGSRLKNTQLLZNK-NSHDSACASA-N 1 1 276.336 2.753 20 30 CFEDMO CC1(C#N)CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000272613202 263007514 /nfs/dbraw/zinc/00/75/14/263007514.db2.gz SREFHGOGLIQCDS-UHFFFAOYSA-N 1 1 298.342 2.624 20 30 CFEDMO C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272614070 263007607 /nfs/dbraw/zinc/00/76/07/263007607.db2.gz SUVXCPWWGPRNRX-GJZGRUSLSA-N 1 1 299.418 2.878 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1ccc(OCC(=O)OCC)cc1 ZINC000353176213 263017295 /nfs/dbraw/zinc/01/72/95/263017295.db2.gz VIULNZRZJANTIG-UHFFFAOYSA-N 1 1 277.364 2.636 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000273898176 263020381 /nfs/dbraw/zinc/02/03/81/263020381.db2.gz VFYFLTDEWCKNLB-CYBMUJFWSA-N 1 1 298.346 2.587 20 30 CFEDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(OCC#N)cc2)C1 ZINC000275127767 263032707 /nfs/dbraw/zinc/03/27/07/263032707.db2.gz KDXAOZGUCOXFMC-WMLDXEAASA-N 1 1 288.391 2.572 20 30 CFEDMO N#C[C@H]1CC[C@H]([NH+]2CCN(c3cc(F)ccc3F)CC2)C1 ZINC000278649213 263049502 /nfs/dbraw/zinc/04/95/02/263049502.db2.gz PQRAHWPDMRQOLP-JSGCOSHPSA-N 1 1 291.345 2.779 20 30 CFEDMO CCC[N@@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279427725 263055455 /nfs/dbraw/zinc/05/54/55/263055455.db2.gz PUEHAPPTMUSOLO-UHFFFAOYSA-N 1 1 283.379 2.701 20 30 CFEDMO C[C@@H]1CCC[N@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000279490918 263055541 /nfs/dbraw/zinc/05/55/41/263055541.db2.gz XZUIXUAVOSSLKK-CQSZACIVSA-N 1 1 295.390 2.843 20 30 CFEDMO C[C@@H](CC#N)[N@H+](C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000279774147 263057233 /nfs/dbraw/zinc/05/72/33/263057233.db2.gz SWLLJBKWEYBTMC-KSSFIOAISA-N 1 1 282.387 2.977 20 30 CFEDMO C[C@@H](CC#N)[N@@H+](C)C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000279774147 263057234 /nfs/dbraw/zinc/05/72/34/263057234.db2.gz SWLLJBKWEYBTMC-KSSFIOAISA-N 1 1 282.387 2.977 20 30 CFEDMO C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000281240574 263067470 /nfs/dbraw/zinc/06/74/70/263067470.db2.gz PLLWMFNTPGPFEY-OKILXGFUSA-N 1 1 299.418 2.652 20 30 CFEDMO C=CCOc1cccc(CN[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414857675 263074202 /nfs/dbraw/zinc/07/42/02/263074202.db2.gz PZQXPDJJNSNXDU-GDBMZVCRSA-N 1 1 274.408 2.729 20 30 CFEDMO CC(=O)NCC[N@H+](CCC(C)(C)C#N)Cc1ccsc1 ZINC000282447378 263076852 /nfs/dbraw/zinc/07/68/52/263076852.db2.gz INIWQFCHSICXQO-UHFFFAOYSA-N 1 1 293.436 2.626 20 30 CFEDMO CC(=O)NCC[N@@H+](CCC(C)(C)C#N)Cc1ccsc1 ZINC000282447378 263076853 /nfs/dbraw/zinc/07/68/53/263076853.db2.gz INIWQFCHSICXQO-UHFFFAOYSA-N 1 1 293.436 2.626 20 30 CFEDMO CCCCCCCC(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000282563405 263077428 /nfs/dbraw/zinc/07/74/28/263077428.db2.gz FSNCIWWBGINEFI-INIZCTEOSA-N 1 1 289.423 2.915 20 30 CFEDMO N#CCCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285578509 263094226 /nfs/dbraw/zinc/09/42/26/263094226.db2.gz OGHDTEHXQDFGHL-GOSISDBHSA-N 1 1 283.419 2.888 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(CC#N)cc2)C[C@H]1C ZINC000340223611 263097669 /nfs/dbraw/zinc/09/76/69/263097669.db2.gz RENGBRYWSVVQCY-PBHICJAKSA-N 1 1 299.418 2.697 20 30 CFEDMO COc1ccncc1CO[NH+]=C(N)CCc1ccccc1 ZINC000288590393 263105005 /nfs/dbraw/zinc/10/50/05/263105005.db2.gz LTZZMNCWTVGZGG-UHFFFAOYSA-N 1 1 285.347 2.512 20 30 CFEDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000288891716 263106446 /nfs/dbraw/zinc/10/64/46/263106446.db2.gz RXEDEVXDYKYDGY-QGZVFWFLSA-N 1 1 288.391 2.573 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289140852 263107674 /nfs/dbraw/zinc/10/76/74/263107674.db2.gz YNCODPSNVOAQNG-UHFFFAOYSA-N 1 1 272.348 2.800 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)/N=C/c1cccc(OC)c1O ZINC000289899884 263112820 /nfs/dbraw/zinc/11/28/20/263112820.db2.gz KHGLKJBHFCJZIR-HNEYUBDGSA-N 1 1 278.396 2.940 20 30 CFEDMO Cc1cnn([C@@H]2CC[N@@H+](CC(C)(C)CCC#N)C2)c1 ZINC000291026451 263119533 /nfs/dbraw/zinc/11/95/33/263119533.db2.gz YBQREQADGZPKNQ-CQSZACIVSA-N 1 1 260.385 2.768 20 30 CFEDMO CN(C(=O)CCCC#N)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000292185284 263129347 /nfs/dbraw/zinc/12/93/47/263129347.db2.gz QNDUKPZEKWAHFV-QGZVFWFLSA-N 1 1 299.418 2.803 20 30 CFEDMO COC(=O)c1ccc2c(c1)C[N@@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000292716198 263134303 /nfs/dbraw/zinc/13/43/03/263134303.db2.gz AFFVXCGFLVSVSS-LRDDRELGSA-N 1 1 284.359 2.524 20 30 CFEDMO COc1cc(C[N@@H+](C)CCOCCC#N)ccc1SC ZINC000293290677 263139105 /nfs/dbraw/zinc/13/91/05/263139105.db2.gz YWQSQUURDAMDBL-UHFFFAOYSA-N 1 1 294.420 2.779 20 30 CFEDMO C[N@@H+](CCOCCC#N)CCOc1ccc(Cl)cc1 ZINC000293568420 263143559 /nfs/dbraw/zinc/14/35/59/263143559.db2.gz SOWIBZWPLFRFAH-UHFFFAOYSA-N 1 1 282.771 2.581 20 30 CFEDMO C=CCN(CCC#N)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000293666452 263146197 /nfs/dbraw/zinc/14/61/97/263146197.db2.gz GCJWUHNUTHNUQT-INIZCTEOSA-N 1 1 285.391 2.608 20 30 CFEDMO COc1ccc(OCC[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc1 ZINC000293658221 263146543 /nfs/dbraw/zinc/14/65/43/263146543.db2.gz YMGYWBKUCFDJFJ-KBPBESRZSA-N 1 1 274.364 2.698 20 30 CFEDMO C[N@H+](Cc1nc2ccccc2o1)[C@H]1CC[C@@H](C#N)C1 ZINC000293785912 263149614 /nfs/dbraw/zinc/14/96/14/263149614.db2.gz MEEXQQWEQJVWRN-NEPJUHHUSA-N 1 1 255.321 2.952 20 30 CFEDMO C[N@@H+](Cc1nc2ccccc2o1)[C@H]1CC[C@@H](C#N)C1 ZINC000293785912 263149616 /nfs/dbraw/zinc/14/96/16/263149616.db2.gz MEEXQQWEQJVWRN-NEPJUHHUSA-N 1 1 255.321 2.952 20 30 CFEDMO C[N@H+](Cc1nc2ccccc2o1)[C@H]1CC[C@H](C#N)C1 ZINC000293785925 263149807 /nfs/dbraw/zinc/14/98/07/263149807.db2.gz MEEXQQWEQJVWRN-RYUDHWBXSA-N 1 1 255.321 2.952 20 30 CFEDMO C[N@@H+](Cc1nc2ccccc2o1)[C@H]1CC[C@H](C#N)C1 ZINC000293785925 263149809 /nfs/dbraw/zinc/14/98/09/263149809.db2.gz MEEXQQWEQJVWRN-RYUDHWBXSA-N 1 1 255.321 2.952 20 30 CFEDMO N#CCCOCC[N@H+]1CCC=C(c2ccccc2)C1 ZINC000293956425 263153036 /nfs/dbraw/zinc/15/30/36/263153036.db2.gz CDBVIZHIQZBOOU-UHFFFAOYSA-N 1 1 256.349 2.706 20 30 CFEDMO C[N@@H+](C[C@H](O)Cc1ccccc1)CC(C)(C)CCC#N ZINC000294024898 263154566 /nfs/dbraw/zinc/15/45/66/263154566.db2.gz VFHWFZXCWIWGPY-MRXNPFEDSA-N 1 1 274.408 2.852 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](Cc3ccccc3)C2)C1 ZINC000294419798 263161292 /nfs/dbraw/zinc/16/12/92/263161292.db2.gz DKTGCKBUFBBUJJ-ZACQAIPSSA-N 1 1 270.376 2.622 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](Cc3ccccc3)C2)C1 ZINC000294419798 263161293 /nfs/dbraw/zinc/16/12/93/263161293.db2.gz DKTGCKBUFBBUJJ-ZACQAIPSSA-N 1 1 270.376 2.622 20 30 CFEDMO CC[C@@H]1Cc2ccccc2C[N@H+]1CCOCCC#N ZINC000294447667 263162051 /nfs/dbraw/zinc/16/20/51/263162051.db2.gz FSBPWVNGVAGCJL-MRXNPFEDSA-N 1 1 258.365 2.754 20 30 CFEDMO C[C@@]1(F)CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000295489242 263178328 /nfs/dbraw/zinc/17/83/28/263178328.db2.gz RWBKALXAWVVAHX-OAHLLOKOSA-N 1 1 262.328 2.913 20 30 CFEDMO C[C@@H](CCC#N)[NH+]1CCN(CCc2cccs2)CC1 ZINC000297726107 263208870 /nfs/dbraw/zinc/20/88/70/263208870.db2.gz BSTAPCAGVGYRBC-AWEZNQCLSA-N 1 1 277.437 2.600 20 30 CFEDMO COc1cc2[nH+]ccc(N(C)C[C@@H](C)C#N)c2cc1OC ZINC000298275066 263216913 /nfs/dbraw/zinc/21/69/13/263216913.db2.gz PMRHHYXQFPSEKL-NSHDSACASA-N 1 1 285.347 2.848 20 30 CFEDMO COc1c(C)cnc(C[N@@H+](C)[C@H](C)CCC#N)c1C ZINC000298554684 263222181 /nfs/dbraw/zinc/22/21/81/263222181.db2.gz ZBUYNOHTZKKQTK-GFCCVEGCSA-N 1 1 261.369 2.831 20 30 CFEDMO COc1c(C)c[nH+]c(CN(C)[C@H](C)CCC#N)c1C ZINC000298554684 263222183 /nfs/dbraw/zinc/22/21/83/263222183.db2.gz ZBUYNOHTZKKQTK-GFCCVEGCSA-N 1 1 261.369 2.831 20 30 CFEDMO COc1ccccc1[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000298656374 263223412 /nfs/dbraw/zinc/22/34/12/263223412.db2.gz AYFRWNIDGSTJMG-STQMWFEESA-N 1 1 257.337 2.789 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000298797151 263226008 /nfs/dbraw/zinc/22/60/08/263226008.db2.gz HFLIXQNIMPBISX-PBHICJAKSA-N 1 1 287.407 2.734 20 30 CFEDMO C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000299495671 263243517 /nfs/dbraw/zinc/24/35/17/263243517.db2.gz GXCVWWBTJMFPCP-CQSZACIVSA-N 1 1 271.364 2.520 20 30 CFEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)CC#N)cc1 ZINC000299579086 263248484 /nfs/dbraw/zinc/24/84/84/263248484.db2.gz DCMSLGKWFOEBDS-AWEZNQCLSA-N 1 1 287.407 2.950 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)Cc1cccc(OC(C)C)c1 ZINC000120623436 263287468 /nfs/dbraw/zinc/28/74/68/263287468.db2.gz XVISOMALCUOXAW-AWEZNQCLSA-N 1 1 290.407 2.596 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cccc(OC(C)C)c1 ZINC000120623436 263287471 /nfs/dbraw/zinc/28/74/71/263287471.db2.gz XVISOMALCUOXAW-AWEZNQCLSA-N 1 1 290.407 2.596 20 30 CFEDMO CC(C)C[N@@H+](C)[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000340687467 263292959 /nfs/dbraw/zinc/29/29/59/263292959.db2.gz RLNJNTJIOHAYKR-ISXOHVOVSA-N 1 1 293.455 2.894 20 30 CFEDMO C=CC[N@@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000121508489 263295624 /nfs/dbraw/zinc/29/56/24/263295624.db2.gz WSOMLRSNJXOVQO-SNVBAGLBSA-N 1 1 288.307 2.824 20 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273.376 2.700 20 30 CFEDMO CC#CC[N@H+](Cc1ccccc1OC)C[C@H]1CCCO1 ZINC000120125746 267385341 /nfs/dbraw/zinc/38/53/41/267385341.db2.gz KXYXZHUVJPPOMS-MRXNPFEDSA-N 1 1 273.376 2.700 20 30 CFEDMO C=CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000371309226 267386193 /nfs/dbraw/zinc/38/61/93/267386193.db2.gz WNBGWLZGFKZHMD-VQFNDLOPSA-N 1 1 284.403 2.589 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000371309871 267386413 /nfs/dbraw/zinc/38/64/13/267386413.db2.gz DBONGWBCDQYFFW-RDJZCZTQSA-N 1 1 285.387 2.557 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCCC[C@@H](CO)C2)cc1 ZINC000371330559 267392249 /nfs/dbraw/zinc/39/22/49/267392249.db2.gz BYILBWSLSLUMNF-QGZVFWFLSA-N 1 1 287.403 2.683 20 30 CFEDMO C=CCOc1cccc(CN2CCC[N@H+]3CCC[C@H]3C2)c1 ZINC000371416376 267403402 /nfs/dbraw/zinc/40/34/02/267403402.db2.gz LPIRPEZHXYCPBI-KRWDZBQOSA-N 1 1 286.419 2.922 20 30 CFEDMO C=C(C)C[N@@H+](C)C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000305815595 268001281 /nfs/dbraw/zinc/00/12/81/268001281.db2.gz OIEHBOVTZTYQBI-AEFFLSMTSA-N 1 1 289.419 2.949 20 30 CFEDMO C=CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000376683972 268009002 /nfs/dbraw/zinc/00/90/02/268009002.db2.gz ZYAICIDHHMYESB-CZUORRHYSA-N 1 1 273.380 2.562 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC2(CCC2)C1 ZINC000123304894 268035189 /nfs/dbraw/zinc/03/51/89/268035189.db2.gz YRGVGEWRNMYNRG-AWEZNQCLSA-N 1 1 264.413 2.676 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](C3CCCC3)C2)nc1 ZINC000514796997 268222221 /nfs/dbraw/zinc/22/22/21/268222221.db2.gz XIJZSLJREPQJBX-OAHLLOKOSA-N 1 1 255.365 2.965 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cccc(C#N)n2)C1 ZINC000339215466 274316532 /nfs/dbraw/zinc/31/65/32/274316532.db2.gz BOCZOSOAAMISQR-IJEWVQPXSA-N 1 1 284.407 2.795 20 30 CFEDMO C[C@@H]1CN(CC#Cc2ccc(Cl)cc2)[C@@H](C)C[N@H+]1C ZINC000335938633 274345488 /nfs/dbraw/zinc/34/54/88/274345488.db2.gz CGFKSIBWBCURAB-KGLIPLIRSA-N 1 1 276.811 2.716 20 30 CFEDMO C[C@@H]1CN(c2cc(C(F)(F)F)cnc2C#N)C[C@H](C)[N@@H+]1C ZINC000413301930 274361697 /nfs/dbraw/zinc/36/16/97/274361697.db2.gz SGZFSTLBONXRSO-AOOOYVTPSA-N 1 1 298.312 2.501 20 30 CFEDMO C#Cc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000288989716 275387399 /nfs/dbraw/zinc/38/73/99/275387399.db2.gz DAEUZIQCCXWZOF-INIZCTEOSA-N 1 1 255.361 2.669 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(CC#Cc2ccc(F)cc2)C[C@H]1C ZINC000346207881 276249854 /nfs/dbraw/zinc/24/98/54/276249854.db2.gz MXYWJAPYDNXJPE-CABCVRRESA-N 1 1 274.383 2.592 20 30 CFEDMO CC[N@@H+]1C[C@H](C)N(c2ncc(C#N)cc2Cl)C[C@H]1C ZINC000345173311 276251292 /nfs/dbraw/zinc/25/12/92/276251292.db2.gz MSZNTCBNAFGTJM-MNOVXSKESA-N 1 1 278.787 2.526 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(c2ncc(C#N)cc2Cl)C[C@H]1C ZINC000345173311 276251295 /nfs/dbraw/zinc/25/12/95/276251295.db2.gz MSZNTCBNAFGTJM-MNOVXSKESA-N 1 1 278.787 2.526 20 30 CFEDMO CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C)C#N ZINC000347736650 276353188 /nfs/dbraw/zinc/35/31/88/276353188.db2.gz RPZWCLCJKVKGGM-WBVHZDCISA-N 1 1 299.418 2.517 20 30 CFEDMO C[N@H+]1CCC[C@@H]2CN(c3nccc(C#N)c3Cl)CC[C@@H]21 ZINC000234343211 277070568 /nfs/dbraw/zinc/07/05/68/277070568.db2.gz JQZCFQIHNQBTOM-OLZOCXBDSA-N 1 1 290.798 2.527 20 30 CFEDMO COC[C@@]1(C)CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000296851595 277256275 /nfs/dbraw/zinc/25/62/75/277256275.db2.gz TXJACJYMJNCJKO-CJNGLKHVSA-N 1 1 258.365 2.978 20 30 CFEDMO COC(=O)[C@@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CC1(C)C ZINC000377995120 277364611 /nfs/dbraw/zinc/36/46/11/277364611.db2.gz LGFXNOHUXQHIEI-DOMZBBRYSA-N 1 1 286.375 2.750 20 30 CFEDMO COc1c(C)c[nH+]c(Cn2nc(C#N)c3ccccc32)c1C ZINC000344729505 277786676 /nfs/dbraw/zinc/78/66/76/277786676.db2.gz IPMBASDXFKIULD-UHFFFAOYSA-N 1 1 292.342 2.977 20 30 CFEDMO COc1cccc2c1CC[N@@H+](CC1(C#N)CCC1)CC2 ZINC000336265337 278027707 /nfs/dbraw/zinc/02/77/07/278027707.db2.gz KQXVKMMFPIIRDE-UHFFFAOYSA-N 1 1 270.376 2.790 20 30 CFEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1nccn1C ZINC000070444200 278268524 /nfs/dbraw/zinc/26/85/24/278268524.db2.gz XWQDNHOABOQMLK-RYUDHWBXSA-N 1 1 254.337 2.704 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336599527 278309975 /nfs/dbraw/zinc/30/99/75/278309975.db2.gz JOMUSTTVPZJKDX-PBHICJAKSA-N 1 1 269.392 2.647 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000336599527 278309986 /nfs/dbraw/zinc/30/99/86/278309986.db2.gz JOMUSTTVPZJKDX-PBHICJAKSA-N 1 1 269.392 2.647 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000336599527 278309987 /nfs/dbraw/zinc/30/99/87/278309987.db2.gz JOMUSTTVPZJKDX-PBHICJAKSA-N 1 1 269.392 2.647 20 30 CFEDMO CC(C)[N@@H+](C1CC1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000192543816 279396641 /nfs/dbraw/zinc/39/66/41/279396641.db2.gz SZMLUTTYVIPZRR-KRWDZBQOSA-N 1 1 297.402 2.926 20 30 CFEDMO C[NH+](C)[C@H](C(=O)Nc1cccc(C#N)c1)c1ccccc1 ZINC000062159774 280461233 /nfs/dbraw/zinc/46/12/33/280461233.db2.gz UFPAYTDVSNPLOB-INIZCTEOSA-N 1 1 279.343 2.800 20 30 CFEDMO Cc1cc(NC(=O)[C@H]2C[C@@]23CCOC3)cn2cc[nH+]c12 ZINC000329536418 280590723 /nfs/dbraw/zinc/59/07/23/280590723.db2.gz LVEVCTARDFLZQT-IUODEOHRSA-N 1 1 271.320 2.657 20 30 CFEDMO CC[N@@H+](C[C@H](O)CSC)[C@H](C)c1ccc(C#N)cc1 ZINC000249447633 281058253 /nfs/dbraw/zinc/05/82/53/281058253.db2.gz LNCRDTRVSYJPNQ-DOMZBBRYSA-N 1 1 278.421 2.665 20 30 CFEDMO CO[C@@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@H]1C ZINC000251652507 281073620 /nfs/dbraw/zinc/07/36/20/281073620.db2.gz HPJAEMGGTGFPQH-IAQYHMDHSA-N 1 1 262.328 2.554 20 30 CFEDMO CO[C@@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@H]1C ZINC000251652507 281073621 /nfs/dbraw/zinc/07/36/21/281073621.db2.gz HPJAEMGGTGFPQH-IAQYHMDHSA-N 1 1 262.328 2.554 20 30 CFEDMO COc1cc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)ccc1C#N ZINC000556890092 281952166 /nfs/dbraw/zinc/95/21/66/281952166.db2.gz JGEDBYUWOFNMOG-GFCCVEGCSA-N 1 1 296.374 2.560 20 30 CFEDMO Cc1[nH+]c2cc(Nc3nc(C)cc(C#N)n3)ccc2n1C ZINC000561262376 282050987 /nfs/dbraw/zinc/05/09/87/282050987.db2.gz JHJMBBJXWOIYBL-UHFFFAOYSA-N 1 1 278.319 2.595 20 30 CFEDMO N#Cc1ccc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)nc1 ZINC000562465935 290045583 /nfs/dbraw/zinc/04/55/83/290045583.db2.gz GNQGLUSYNMRCTJ-INIZCTEOSA-N 1 1 284.407 2.584 20 30 CFEDMO Cc1nnc([C@@H]2CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)[nH]1 ZINC000562704502 290068487 /nfs/dbraw/zinc/06/84/87/290068487.db2.gz AHAJRGLWIMBUMX-XHDPSFHLSA-N 1 1 281.363 2.535 20 30 CFEDMO Cc1n[nH]c([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000562704502 290068489 /nfs/dbraw/zinc/06/84/89/290068489.db2.gz AHAJRGLWIMBUMX-XHDPSFHLSA-N 1 1 281.363 2.535 20 30 CFEDMO Cc1n[nH]c([C@@H]2CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000562704502 290068497 /nfs/dbraw/zinc/06/84/97/290068497.db2.gz AHAJRGLWIMBUMX-XHDPSFHLSA-N 1 1 281.363 2.535 20 30 CFEDMO Cc1nc([C@@H]2CC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000562704502 290068499 /nfs/dbraw/zinc/06/84/99/290068499.db2.gz AHAJRGLWIMBUMX-XHDPSFHLSA-N 1 1 281.363 2.535 20 30 CFEDMO Cc1nc([C@@H]2CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000562704502 290068502 /nfs/dbraw/zinc/06/85/02/290068502.db2.gz AHAJRGLWIMBUMX-XHDPSFHLSA-N 1 1 281.363 2.535 20 30 CFEDMO Cn1cccc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000564324009 290203249 /nfs/dbraw/zinc/20/32/49/290203249.db2.gz RXDNLOLRHIEZDD-UHFFFAOYSA-N 1 1 283.375 2.545 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000378462596 290221356 /nfs/dbraw/zinc/22/13/56/290221356.db2.gz YLSBXMNXGNCQCG-COXVUDFISA-N 1 1 269.392 2.645 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000330554579 290222164 /nfs/dbraw/zinc/22/21/64/290222164.db2.gz GRZQCEBIHXMGJN-JTNHKYCSSA-N 1 1 257.337 2.722 20 30 CFEDMO COc1ccc(C[N@@H+]2CCOC[C@H]2C2CCC2)cc1C#N ZINC000564797516 290233096 /nfs/dbraw/zinc/23/30/96/290233096.db2.gz SRUFTNIOSBXSJH-INIZCTEOSA-N 1 1 286.375 2.568 20 30 CFEDMO COc1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)cc1C#N ZINC000564797516 290233097 /nfs/dbraw/zinc/23/30/97/290233097.db2.gz SRUFTNIOSBXSJH-INIZCTEOSA-N 1 1 286.375 2.568 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)nc1 ZINC000566415064 290380442 /nfs/dbraw/zinc/38/04/42/290380442.db2.gz XWSBYRCHSPHHMZ-QGZVFWFLSA-N 1 1 263.344 2.770 20 30 CFEDMO N#Cc1c2c(cnc1N1CCC[C@H](c3[nH]cc[nH+]3)C1)CCC2 ZINC000567718392 290487972 /nfs/dbraw/zinc/48/79/72/290487972.db2.gz VKQPDAQXPXPWRU-ZDUSSCGKSA-N 1 1 293.374 2.549 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(F)cc1 ZINC001085456821 782057388 /nfs/dbraw/zinc/05/73/88/782057388.db2.gz UJIDSVICXZNJQS-INIZCTEOSA-N 1 1 290.382 2.938 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1F ZINC001085461723 782062586 /nfs/dbraw/zinc/06/25/86/782062586.db2.gz MPDIZUNVSKCWSS-AWEZNQCLSA-N 1 1 290.382 2.938 20 30 CFEDMO C[C@H]1CN(c2ncc(C#N)cc2Cl)CC[N@H+](C2CC2)C1 ZINC000450546057 300302231 /nfs/dbraw/zinc/30/22/31/300302231.db2.gz DHKNOUFVJQEUOD-LLVKDONJSA-N 1 1 290.798 2.527 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC=CCC1 ZINC001085480904 782074667 /nfs/dbraw/zinc/07/46/67/782074667.db2.gz VWUIWOYWPWGMHJ-JKSUJKDBSA-N 1 1 276.424 2.842 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(Cl)o1 ZINC001085487564 782079057 /nfs/dbraw/zinc/07/90/57/782079057.db2.gz CCIGBYHDGPRXRV-NSHDSACASA-N 1 1 282.771 2.655 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)N(CC#N)C1CCCC1 ZINC000339285147 328004859 /nfs/dbraw/zinc/00/48/59/328004859.db2.gz PWBBDFUHYQGRBB-CQSZACIVSA-N 1 1 277.412 2.546 20 30 CFEDMO C=C(C)[C@@H](CC(=O)NCC[N@H+]1CCCC[C@@H]1CC)OCC ZINC000339364142 328008223 /nfs/dbraw/zinc/00/82/23/328008223.db2.gz DFPFTAUPWTUQEM-JKSUJKDBSA-N 1 1 296.455 2.738 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000531616381 328019333 /nfs/dbraw/zinc/01/93/33/328019333.db2.gz QVMWUPPEKFVXBV-HUUCEWRRSA-N 1 1 297.439 2.757 20 30 CFEDMO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000565174919 328081412 /nfs/dbraw/zinc/08/14/12/328081412.db2.gz YIMSCRVIYSRYQE-YWPYICTPSA-N 1 1 291.370 2.673 20 30 CFEDMO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000565174883 328081519 /nfs/dbraw/zinc/08/15/19/328081519.db2.gz YIMSCRVIYSRYQE-LALPHHSUSA-N 1 1 291.370 2.673 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000217200361 329058626 /nfs/dbraw/zinc/05/86/26/329058626.db2.gz YYXDRRKTORRVOO-LSDHHAIUSA-N 1 1 266.429 2.922 20 30 CFEDMO C[C@H]([NH2+]CCC#N)c1ccc(-n2cccn2)c(F)c1 ZINC000411768033 328099396 /nfs/dbraw/zinc/09/93/96/328099396.db2.gz PUGWGAJISGYEET-NSHDSACASA-N 1 1 258.300 2.576 20 30 CFEDMO CC[C@H]1[C@H](CO)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411770915 328099537 /nfs/dbraw/zinc/09/95/37/328099537.db2.gz DMNZMUFZFNPDRX-GJZGRUSLSA-N 1 1 264.413 2.943 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)N(CC)C[C@@H]1CCC[N@H+]1CC ZINC000571391152 328118809 /nfs/dbraw/zinc/11/88/09/328118809.db2.gz UALHGSDHNXUFRA-CABCVRRESA-N 1 1 266.429 2.922 20 30 CFEDMO C=CCCCCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000571461033 328123360 /nfs/dbraw/zinc/12/33/60/328123360.db2.gz CDFBHEDOSUSBGH-GOOCMWNKSA-N 1 1 279.428 2.657 20 30 CFEDMO C[N@@H+](CCCCO)Cc1ccccc1C(C)(C)C#N ZINC000276353849 328217904 /nfs/dbraw/zinc/21/79/04/328217904.db2.gz JDRXWJDYNAXJCG-UHFFFAOYSA-N 1 1 260.381 2.692 20 30 CFEDMO N#CCCC[NH+]1CCN(c2cncc3ccccc32)CC1 ZINC000276454723 328218492 /nfs/dbraw/zinc/21/84/92/328218492.db2.gz NKFNHJDBQHYLAC-UHFFFAOYSA-N 1 1 280.375 2.661 20 30 CFEDMO Cc1cccc(NC(=O)C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)c1C ZINC000278532905 328226575 /nfs/dbraw/zinc/22/65/75/328226575.db2.gz FIJKHXAYQNSDEQ-CABCVRRESA-N 1 1 285.391 2.866 20 30 CFEDMO Cc1cccc(NC(=O)C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)c1C ZINC000278532905 328226577 /nfs/dbraw/zinc/22/65/77/328226577.db2.gz FIJKHXAYQNSDEQ-CABCVRRESA-N 1 1 285.391 2.866 20 30 CFEDMO C=CCCCC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000177887393 329193735 /nfs/dbraw/zinc/19/37/35/329193735.db2.gz LLCCSCJYSMNZMN-ZIAGYGMSSA-N 1 1 252.402 2.531 20 30 CFEDMO COc1cc2c(cc1OC)C[N@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC000278591659 328227714 /nfs/dbraw/zinc/22/77/14/328227714.db2.gz LDPYMLSJPPUKTF-WFASDCNBSA-N 1 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CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000353828541 529103988 /nfs/dbraw/zinc/10/39/88/529103988.db2.gz QWCHOLDSJCLRCJ-SJORKVTESA-N 1 1 299.418 2.674 20 30 CFEDMO CC[C@@H](C(=O)N(C)C[C@@H](C)C#N)[N@@H+](C)Cc1ccccc1 ZINC000352776441 529271456 /nfs/dbraw/zinc/27/14/56/529271456.db2.gz SLMNBKJWSJUFCI-HOCLYGCPSA-N 1 1 287.407 2.515 20 30 CFEDMO CC[C@](C)(C#N)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000354647419 529350786 /nfs/dbraw/zinc/35/07/86/529350786.db2.gz NTRJGQIVFOJCKW-GRDNDAEWSA-N 1 1 291.439 2.695 20 30 CFEDMO CC[N@@H+]1CCC[C@@H](CNCc2ccc(C#N)c(C)c2)C1 ZINC000443959900 535525942 /nfs/dbraw/zinc/52/59/42/535525942.db2.gz FNAUDOXZYMLBFU-INIZCTEOSA-N 1 1 271.408 2.688 20 30 CFEDMO CC[N@H+]1CCC[C@@H](CNCc2ccc(C#N)c(C)c2)C1 ZINC000443959900 535525948 /nfs/dbraw/zinc/52/59/48/535525948.db2.gz FNAUDOXZYMLBFU-INIZCTEOSA-N 1 1 271.408 2.688 20 30 CFEDMO C[N@@H+](CCOc1cccc(C#N)c1)[C@H](CO)c1ccccc1 ZINC000263993179 536401107 /nfs/dbraw/zinc/40/11/07/536401107.db2.gz 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/nfs/dbraw/zinc/88/75/81/649887581.db2.gz HJMFYYHYNUUQJP-AWEZNQCLSA-N 1 1 264.413 2.676 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2[nH]ccc21 ZINC001085834751 782179859 /nfs/dbraw/zinc/17/98/59/782179859.db2.gz SRMVZKGGSOEKDV-CQSZACIVSA-N 1 1 297.402 2.890 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2[nH]ccc21 ZINC001085834520 782180216 /nfs/dbraw/zinc/18/02/16/782180216.db2.gz MOMZWUBTXRUAOU-CYBMUJFWSA-N 1 1 283.375 2.500 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc2[nH]ccc21 ZINC001085834520 782180222 /nfs/dbraw/zinc/18/02/22/782180222.db2.gz MOMZWUBTXRUAOU-CYBMUJFWSA-N 1 1 283.375 2.500 20 30 CFEDMO CN(C)c1ccc(C=[NH+]OCc2cccnc2)cc1F ZINC000746586388 574051995 /nfs/dbraw/zinc/05/19/95/574051995.db2.gz XSUGENZTLNITDE-UHFFFAOYSA-N 1 1 273.311 2.837 20 30 CFEDMO C#CCNC(=O)C[N@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000753862255 574052284 /nfs/dbraw/zinc/05/22/84/574052284.db2.gz OCKHFPVRBNRZIY-MENFKHAKSA-N 1 1 296.414 2.694 20 30 CFEDMO C[C@@H]1CC(N=Nc2cnnc3ccccc23)C[N@H+]1C1CC1 ZINC000753959452 574059651 /nfs/dbraw/zinc/05/96/51/574059651.db2.gz IVSKICKJPJYQEH-LLVKDONJSA-N 1 1 281.363 2.654 20 30 CFEDMO C#CC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)C1CCCCC1 ZINC000744212537 574061708 /nfs/dbraw/zinc/06/17/08/574061708.db2.gz GWMMIMBCKSEIOL-NVXWUHKLSA-N 1 1 290.451 2.949 20 30 CFEDMO C=CCCC[N@H+](C)C[C@@H](O)c1cc(OC)ccc1OC ZINC000736624128 574062836 /nfs/dbraw/zinc/06/28/36/574062836.db2.gz XYZMMKDNJNRWQC-OAHLLOKOSA-N 1 1 279.380 2.635 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CCCCCCC1 ZINC000730280372 574070467 /nfs/dbraw/zinc/07/04/67/574070467.db2.gz RISNWDZCSPWEFD-INIZCTEOSA-N 1 1 276.424 2.561 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CCCCCCC1 ZINC000730280372 574070468 /nfs/dbraw/zinc/07/04/68/574070468.db2.gz RISNWDZCSPWEFD-INIZCTEOSA-N 1 1 276.424 2.561 20 30 CFEDMO CC(C)[N@@H+]1CC(N=Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000754254687 574084404 /nfs/dbraw/zinc/08/44/04/574084404.db2.gz OPGKRJMQUYLLNR-NSHDSACASA-N 1 1 276.340 2.723 20 30 CFEDMO CC(C)[N@@H+]1CC(N=Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000754255734 574084740 /nfs/dbraw/zinc/08/47/40/574084740.db2.gz RRQSKXCJRSYMRC-LLVKDONJSA-N 1 1 276.340 2.723 20 30 CFEDMO CC(C)[N@@H+]1CC(N=Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000754262033 574085024 /nfs/dbraw/zinc/08/50/24/574085024.db2.gz XUALLHNUVODTTL-GFCCVEGCSA-N 1 1 256.353 2.686 20 30 CFEDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C(N)=O)c2ccc(C#N)cc2)s1 ZINC000754668070 574112171 /nfs/dbraw/zinc/11/21/71/574112171.db2.gz CWXFJODKSUWDDK-IAQYHMDHSA-N 1 1 299.399 2.805 20 30 CFEDMO COCC#CC[NH2+][C@@H](C)c1nc2ccccc2s1 ZINC000754707654 574115103 /nfs/dbraw/zinc/11/51/03/574115103.db2.gz AZSVGHKQMXGLIX-NSHDSACASA-N 1 1 260.362 2.597 20 30 CFEDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCCCCC#N ZINC000754870485 574126275 /nfs/dbraw/zinc/12/62/75/574126275.db2.gz BISQZRQBRFRSNB-UHFFFAOYSA-N 1 1 266.385 2.876 20 30 CFEDMO C[C@H](CC#N)[N@@H+](C)Cc1c(O)ccc2ccncc21 ZINC000728901645 574135451 /nfs/dbraw/zinc/13/54/51/574135451.db2.gz PHUJWUVRCZWGPN-LLVKDONJSA-N 1 1 255.321 2.674 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000746124160 574135550 /nfs/dbraw/zinc/13/55/50/574135550.db2.gz BFWUWSJEZGBAGI-CYBMUJFWSA-N 1 1 293.370 2.850 20 30 CFEDMO N#Cc1ccc(Br)c(C[N@@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000755067932 574135798 /nfs/dbraw/zinc/13/57/98/574135798.db2.gz VBDBSOWQFSTSBX-MFKMUULPSA-N 1 1 277.165 2.915 20 30 CFEDMO N#Cc1ccc(Br)c(C[N@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000755067932 574135803 /nfs/dbraw/zinc/13/58/03/574135803.db2.gz VBDBSOWQFSTSBX-MFKMUULPSA-N 1 1 277.165 2.915 20 30 CFEDMO C=CC1CC[NH+](Cn2c3c(sc2=O)C[C@@H](C)CC3)CC1 ZINC000732180894 574145107 /nfs/dbraw/zinc/14/51/07/574145107.db2.gz HDNODADVMDUXSX-LBPRGKRZSA-N 1 1 292.448 2.890 20 30 CFEDMO C#CCNC(=O)C[N@H+](CC(C)C)[C@@H](CC)c1ccccc1 ZINC000732214282 574147128 /nfs/dbraw/zinc/14/71/28/574147128.db2.gz DHKQUEAVKAYOJB-KRWDZBQOSA-N 1 1 286.419 2.845 20 30 CFEDMO C#CC[N@@H+](CC)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000746457352 574149448 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/nfs/dbraw/zinc/19/94/03/618199403.db2.gz SMFPSAFMUCDEQP-MRXNPFEDSA-N 1 1 298.430 2.714 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2occc2CC)C1 ZINC001023573192 618200609 /nfs/dbraw/zinc/20/06/09/618200609.db2.gz UTGNSCFLFZCMLC-AWEZNQCLSA-N 1 1 290.407 2.860 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2c(C)cccc2C)C1 ZINC001023613051 618206014 /nfs/dbraw/zinc/20/60/14/618206014.db2.gz FTXJYMVVVGGVHK-MRXNPFEDSA-N 1 1 286.419 2.931 20 30 CFEDMO Cc1nc(C#N)cc(NC[C@H](C)[N@@H+](C)Cc2ccccc2)n1 ZINC000308395077 618207937 /nfs/dbraw/zinc/20/79/37/618207937.db2.gz CTRNJCLKDOBCKT-ZDUSSCGKSA-N 1 1 295.390 2.589 20 30 CFEDMO C=C(Br)C[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000309580966 618210194 /nfs/dbraw/zinc/21/01/94/618210194.db2.gz SISVRLMTOGGLJK-UHFFFAOYSA-N 1 1 282.141 2.668 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@@H](CNC(=O)c2csc(C)c2)C1 ZINC001023646120 618211336 /nfs/dbraw/zinc/21/13/36/618211336.db2.gz ILZKLFRFEMTHSA-AWEZNQCLSA-N 1 1 290.432 2.522 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H](CNC(=O)c2csc(C)c2)C1 ZINC001023646128 618211503 /nfs/dbraw/zinc/21/15/03/618211503.db2.gz ILZKLFRFEMTHSA-CQSZACIVSA-N 1 1 290.432 2.522 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2Cl)C1 ZINC001023710751 618215702 /nfs/dbraw/zinc/21/57/02/618215702.db2.gz QCAKTIGXEQWAOH-CYBMUJFWSA-N 1 1 292.810 2.968 20 30 CFEDMO CC#CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001023714475 618216176 /nfs/dbraw/zinc/21/61/76/618216176.db2.gz NHVKRORZVCJQNQ-ULQDDVLXSA-N 1 1 290.451 2.664 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2c(F)cccc2F)C1 ZINC001023720976 618216593 /nfs/dbraw/zinc/21/65/93/618216593.db2.gz YNOQJRAQPYYXHW-LBPRGKRZSA-N 1 1 294.345 2.593 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C)c(C)s2)C1 ZINC001023740060 618220106 /nfs/dbraw/zinc/22/01/06/618220106.db2.gz XRIWCARZRPJBNR-AWEZNQCLSA-N 1 1 292.448 2.993 20 30 CFEDMO C=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001023764733 618223404 /nfs/dbraw/zinc/22/34/04/618223404.db2.gz QBUKXUJGJXDZMK-XGHPGWEVSA-N 1 1 290.451 2.827 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H](CNC(=O)c2coc3ccccc23)C1 ZINC001023775788 618224952 /nfs/dbraw/zinc/22/49/52/618224952.db2.gz HITPBRCKVMPAPD-CQSZACIVSA-N 1 1 296.370 2.508 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000793218201 618250502 /nfs/dbraw/zinc/25/05/02/618250502.db2.gz PXCQPDAJJALMGP-QGZVFWFLSA-N 1 1 273.376 2.700 20 30 CFEDMO Fc1cc(F)c(N=NC2CC[N@H+]3CCC[C@H]23)c(F)c1 ZINC000901321225 620791127 /nfs/dbraw/zinc/79/11/27/620791127.db2.gz RHONJENEZVUDNV-GFCCVEGCSA-N 1 1 269.270 2.740 20 30 CFEDMO C[C@H]1C[C@H](CO)C[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930751016 618269040 /nfs/dbraw/zinc/26/90/40/618269040.db2.gz WXSFAPTTXYHOMK-GJZGRUSLSA-N 1 1 264.413 2.801 20 30 CFEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)c2ccoc2C2CC2)C1 ZINC001008323462 618288333 /nfs/dbraw/zinc/28/83/33/618288333.db2.gz QFORUOZEWVYQFI-AWEZNQCLSA-N 1 1 288.391 2.927 20 30 CFEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1C ZINC001024307112 618289885 /nfs/dbraw/zinc/28/98/85/618289885.db2.gz MVZJFGUOHPZBGQ-AWEZNQCLSA-N 1 1 290.432 2.664 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1sccc1C ZINC001024307112 618289888 /nfs/dbraw/zinc/28/98/88/618289888.db2.gz MVZJFGUOHPZBGQ-AWEZNQCLSA-N 1 1 290.432 2.664 20 30 CFEDMO C[N@H+]1CCN(c2nc(Cl)c(C#N)s2)C[C@H]1C(C)(C)C ZINC000895101809 618293386 /nfs/dbraw/zinc/29/33/86/618293386.db2.gz OZVHHCCMDSFACS-JTQLQIEISA-N 1 1 298.843 2.835 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccs1 ZINC001024316081 618293776 /nfs/dbraw/zinc/29/37/76/618293776.db2.gz HWFLQWLGQJOEIM-LBPRGKRZSA-N 1 1 264.394 2.518 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cccs1 ZINC001024316081 618293780 /nfs/dbraw/zinc/29/37/80/618293780.db2.gz HWFLQWLGQJOEIM-LBPRGKRZSA-N 1 1 264.394 2.518 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccoc1 ZINC001024330436 618294950 /nfs/dbraw/zinc/29/49/50/618294950.db2.gz SSGNIIPMXPWDAY-OAHLLOKOSA-N 1 1 276.380 2.830 20 30 CFEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2csc(C#N)c2)C[C@@H]1O ZINC000893311445 618304416 /nfs/dbraw/zinc/30/44/16/618304416.db2.gz WZYZNENQPBSDEW-KBPBESRZSA-N 1 1 278.421 2.849 20 30 CFEDMO NC(=O)c1ccc(CO[NH+]=C(N)C2CCCCCC2)cc1 ZINC000179003736 618306306 /nfs/dbraw/zinc/30/63/06/618306306.db2.gz PLKPNPMLSAQMAK-UHFFFAOYSA-N 1 1 289.379 2.545 20 30 CFEDMO NC(=[NH+]OCC(=O)N1CCCCCC1)C1CCCCCC1 ZINC000179003303 618306921 /nfs/dbraw/zinc/30/69/21/618306921.db2.gz BQVIGOFZPIOYPI-UHFFFAOYSA-N 1 1 295.427 2.648 20 30 CFEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)coc1C ZINC001024425499 618310992 /nfs/dbraw/zinc/31/09/92/618310992.db2.gz BXPDAQNXBITFKU-HNNXBMFYSA-N 1 1 288.391 2.504 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)coc1C ZINC001024425499 618310999 /nfs/dbraw/zinc/31/09/99/618310999.db2.gz BXPDAQNXBITFKU-HNNXBMFYSA-N 1 1 288.391 2.504 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024426224 618312045 /nfs/dbraw/zinc/31/20/45/618312045.db2.gz XGAGIKFMURICJB-OAHLLOKOSA-N 1 1 278.440 2.969 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC(C)(C)C1 ZINC001024426223 618312254 /nfs/dbraw/zinc/31/22/54/618312254.db2.gz XGAGIKFMURICJB-HNNXBMFYSA-N 1 1 278.440 2.969 20 30 CFEDMO CCCCCCCCC[N@H+](C)[C@@H](C)c1nnnn1C ZINC000188869153 618316034 /nfs/dbraw/zinc/31/60/34/618316034.db2.gz MWJPFEULQPEBFA-ZDUSSCGKSA-N 1 1 267.421 2.954 20 30 CFEDMO CCCCCCCCC[N@@H+](C)[C@@H](C)c1nnnn1C ZINC000188869153 618316039 /nfs/dbraw/zinc/31/60/39/618316039.db2.gz MWJPFEULQPEBFA-ZDUSSCGKSA-N 1 1 267.421 2.954 20 30 CFEDMO Cc1[nH+]ccn1CCNc1cc(C(F)(F)F)cc(C#N)n1 ZINC000895116743 618318518 /nfs/dbraw/zinc/31/85/18/618318518.db2.gz MCHIDHGQEOHUQD-UHFFFAOYSA-N 1 1 295.268 2.589 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC001024451736 618318992 /nfs/dbraw/zinc/31/89/92/618318992.db2.gz FOLZNOOKRQSVGA-YYIAUSFCSA-N 1 1 288.435 2.745 20 30 CFEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1sc(C)cc1C ZINC001024458613 618320722 /nfs/dbraw/zinc/32/07/22/618320722.db2.gz HPOHOIWHDMSGCM-CQSZACIVSA-N 1 1 290.432 2.582 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1sc(C)cc1C ZINC001024458613 618320731 /nfs/dbraw/zinc/32/07/31/618320731.db2.gz HPOHOIWHDMSGCM-CQSZACIVSA-N 1 1 290.432 2.582 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2occc2[nH]1 ZINC001024463772 618322695 /nfs/dbraw/zinc/32/26/95/618322695.db2.gz YXEXIVOOANBJKE-LBPRGKRZSA-N 1 1 287.363 2.531 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC(CC1)C2 ZINC001024513295 618342003 /nfs/dbraw/zinc/34/20/03/618342003.db2.gz ORUSEUISFPIEBU-UPTPFMHGSA-N 1 1 288.435 2.561 20 30 CFEDMO CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(C#N)c1[O-] ZINC000924873671 618361222 /nfs/dbraw/zinc/36/12/22/618361222.db2.gz NREGUMCVUZAOMM-HNNXBMFYSA-N 1 1 284.363 2.510 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[C@@H]2C[C@@H]2CC1 ZINC001024573261 618387325 /nfs/dbraw/zinc/38/73/25/618387325.db2.gz YXZNINDKDKRWJG-YYIAUSFCSA-N 1 1 290.451 2.969 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1nccc2occc21 ZINC001024573245 618388112 /nfs/dbraw/zinc/38/81/12/618388112.db2.gz YMUBPWPBFCJFBO-ZDUSSCGKSA-N 1 1 299.374 2.598 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(F)ccc1C ZINC001024578686 618389717 /nfs/dbraw/zinc/38/97/17/618389717.db2.gz ZHGCRANZOAFONC-HNNXBMFYSA-N 1 1 290.382 2.904 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001024611699 618414988 /nfs/dbraw/zinc/41/49/88/618414988.db2.gz IJMGWFYZXSNNDM-FXUDXRNXSA-N 1 1 276.424 2.579 20 30 CFEDMO C[C@H](NCC[N@@H+]1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000776164183 618416574 /nfs/dbraw/zinc/41/65/74/618416574.db2.gz YABQHYNLMBKXNP-KBPBESRZSA-N 1 1 257.381 2.693 20 30 CFEDMO C[C@H](NCC[N@H+]1CCC[C@@H]1C)c1ccc(C#N)cc1 ZINC000776164183 618416581 /nfs/dbraw/zinc/41/65/81/618416581.db2.gz YABQHYNLMBKXNP-KBPBESRZSA-N 1 1 257.381 2.693 20 30 CFEDMO C[NH+](C)C(C)(C)CNCc1cccc(OCCCC#N)c1 ZINC000237079198 618421226 /nfs/dbraw/zinc/42/12/26/618421226.db2.gz WOMFZROHYXDAPR-UHFFFAOYSA-N 1 1 289.423 2.799 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001024638295 618427914 /nfs/dbraw/zinc/42/79/14/618427914.db2.gz TWCKRXSFLSFDJB-GPANFISMSA-N 1 1 294.414 2.509 20 30 CFEDMO C=CC[C@H]1CC[N@H+](C[C@@H](O)CCOCc2ccccc2)C1 ZINC000931162623 618428723 /nfs/dbraw/zinc/42/87/23/618428723.db2.gz CTSHANARYIEGRC-WMZOPIPTSA-N 1 1 289.419 2.852 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C1CCC(F)CC1 ZINC001024637662 618428821 /nfs/dbraw/zinc/42/88/21/618428821.db2.gz MSRLWQRZSJVADE-GPANFISMSA-N 1 1 294.414 2.509 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](C[C@@](O)(CC)C(F)(F)F)C1 ZINC000931162625 618428931 /nfs/dbraw/zinc/42/89/31/618428931.db2.gz CUZIEGKRDSSKDJ-MNOVXSKESA-N 1 1 251.292 2.588 20 30 CFEDMO CCCCCCC[C@H](C)[NH2+][C@@H](C)c1n[nH]c(=O)n1C ZINC000895175178 618432260 /nfs/dbraw/zinc/43/22/60/618432260.db2.gz ICODKNDHLIAPME-RYUDHWBXSA-N 1 1 268.405 2.920 20 30 CFEDMO C=Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CC#CC)cc1 ZINC001024669301 618438167 /nfs/dbraw/zinc/43/81/67/618438167.db2.gz GGHBSTKEVLGZOE-GOSISDBHSA-N 1 1 296.414 2.937 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001024681320 618441621 /nfs/dbraw/zinc/44/16/21/618441621.db2.gz OAVGDQZPXBBTLO-GJZGRUSLSA-N 1 1 276.424 2.723 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC12CC2 ZINC001024681321 618441990 /nfs/dbraw/zinc/44/19/90/618441990.db2.gz OAVGDQZPXBBTLO-HUUCEWRRSA-N 1 1 276.424 2.723 20 30 CFEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccsc1Cl ZINC001024690656 618444415 /nfs/dbraw/zinc/44/44/15/618444415.db2.gz GRGNWBVVIXPCBX-NSHDSACASA-N 1 1 296.823 2.619 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccsc1Cl ZINC001024690656 618444418 /nfs/dbraw/zinc/44/44/18/618444418.db2.gz GRGNWBVVIXPCBX-NSHDSACASA-N 1 1 296.823 2.619 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1oc(CC)cc1C ZINC001024760242 618463029 /nfs/dbraw/zinc/46/30/29/618463029.db2.gz RANMUZWNDKNVPM-CQSZACIVSA-N 1 1 290.407 2.921 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000877821546 618468587 /nfs/dbraw/zinc/46/85/87/618468587.db2.gz YNALTMATBIYXHJ-NSHDSACASA-N 1 1 278.318 2.970 20 30 CFEDMO Cc1ccnc(N)c1C[NH2+]CC1(C#N)CCCCC1 ZINC000895280728 618506091 /nfs/dbraw/zinc/50/60/91/618506091.db2.gz ZOHXZWBAWULLET-UHFFFAOYSA-N 1 1 258.369 2.536 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cnn(CC3CCC3)c2)C1 ZINC000895314043 618530397 /nfs/dbraw/zinc/53/03/97/618530397.db2.gz QJTPJISSCWXWIN-HNNXBMFYSA-N 1 1 272.396 2.809 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](Cc2c3c(nn2C)CCC3)C1 ZINC000895337951 618538831 /nfs/dbraw/zinc/53/88/31/618538831.db2.gz MAPBSKWEOLDJBZ-CYBMUJFWSA-N 1 1 259.397 2.697 20 30 CFEDMO C#CC1(O)CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000895384069 618561408 /nfs/dbraw/zinc/56/14/08/618561408.db2.gz IEXOHTIMAZLIFO-UHFFFAOYSA-N 1 1 289.322 2.727 20 30 CFEDMO C#C[C@@H](NC1CC[NH+](CCC(C)C)CC1)C1CCOCC1 ZINC000895435394 618581134 /nfs/dbraw/zinc/58/11/34/618581134.db2.gz IKSNDSQPWIRRSV-GOSISDBHSA-N 1 1 292.467 2.515 20 30 CFEDMO C#C[C@@H]([NH2+]C1CCN(CCC(C)C)CC1)C1CCOCC1 ZINC000895435394 618581135 /nfs/dbraw/zinc/58/11/35/618581135.db2.gz IKSNDSQPWIRRSV-GOSISDBHSA-N 1 1 292.467 2.515 20 30 CFEDMO Cc1ccc(NC(=O)CO[NH+]=C(N)CCC(C)C)cc1 ZINC000066374556 618609599 /nfs/dbraw/zinc/60/95/99/618609599.db2.gz JFEOHHGQAOGWMC-UHFFFAOYSA-N 1 1 277.368 2.659 20 30 CFEDMO CCc1ccccc1NC(=O)CO[NH+]=C(N)CCC(C)C ZINC000066374374 618609701 /nfs/dbraw/zinc/60/97/01/618609701.db2.gz XJVLJRDSPKWTRS-UHFFFAOYSA-N 1 1 291.395 2.913 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC12CC2 ZINC001017656376 618667531 /nfs/dbraw/zinc/66/75/31/618667531.db2.gz NBOBTHOFONCZIC-XHSDSOJGSA-N 1 1 288.435 2.818 20 30 CFEDMO C=CCn1cccc1C(=O)N[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001007498818 618689976 /nfs/dbraw/zinc/68/99/76/618689976.db2.gz MMLRSAGFVXBMLH-OAHLLOKOSA-N 1 1 289.423 2.524 20 30 CFEDMO Cc1cc(F)c(C#N)c(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000892674843 618695780 /nfs/dbraw/zinc/69/57/80/618695780.db2.gz ZJSBQJCQDOXLLY-VXGBXAGGSA-N 1 1 261.344 2.900 20 30 CFEDMO CCc1cccc(CC)c1NC(=[NH2+])NCCN1CCCC1 ZINC000170907783 618729350 /nfs/dbraw/zinc/72/93/50/618729350.db2.gz TXSUKRCWBSHGIA-UHFFFAOYSA-N 1 1 288.439 2.634 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(C#N)ccc1C ZINC000936023218 618730696 /nfs/dbraw/zinc/73/06/96/618730696.db2.gz MHWCXPUQMSGUNR-AWEZNQCLSA-N 1 1 287.407 2.717 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N[C@H](C)C[N@H+](C)CCCC ZINC000936026026 618731201 /nfs/dbraw/zinc/73/12/01/618731201.db2.gz CTMHZRKBUMDPOU-KGLIPLIRSA-N 1 1 254.418 2.825 20 30 CFEDMO COc1nc(C)cc(C)c1C[NH2+]CC#Cc1ccccc1 ZINC000892864653 618760630 /nfs/dbraw/zinc/76/06/30/618760630.db2.gz ZFYNWKQJRNTCSH-UHFFFAOYSA-N 1 1 280.371 2.848 20 30 CFEDMO N#CC1(CCCC[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)CCC1 ZINC000930454734 618826319 /nfs/dbraw/zinc/82/63/19/618826319.db2.gz YSFVPGNBTYVSHJ-CVEARBPZSA-N 1 1 292.423 2.730 20 30 CFEDMO N#CC1(CCCC[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)CCC1 ZINC000930454734 618826321 /nfs/dbraw/zinc/82/63/21/618826321.db2.gz YSFVPGNBTYVSHJ-CVEARBPZSA-N 1 1 292.423 2.730 20 30 CFEDMO C[C@@H](Nc1cc(C#N)sc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000893119111 618837545 /nfs/dbraw/zinc/83/75/45/618837545.db2.gz 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618889115 /nfs/dbraw/zinc/88/91/15/618889115.db2.gz WPLSVHQCDIIPAD-QGZVFWFLSA-N 1 1 290.451 2.951 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2ccccc2F)C1 ZINC001006606860 618892166 /nfs/dbraw/zinc/89/21/66/618892166.db2.gz FPHPCICYWABJOF-AWEZNQCLSA-N 1 1 290.382 2.986 20 30 CFEDMO C[C@@H]([NH2+]Cc1cc(Cl)cc(C#N)c1)c1ccn(C)n1 ZINC000930703060 618928202 /nfs/dbraw/zinc/92/82/02/618928202.db2.gz GMUKWGUKJKXUIH-SNVBAGLBSA-N 1 1 274.755 2.796 20 30 CFEDMO Cc1ncc(CO[NH+]=C(N)CCc2ccccc2)s1 ZINC000195169183 618947705 /nfs/dbraw/zinc/94/77/05/618947705.db2.gz BPZJQRAIUWKKKB-UHFFFAOYSA-N 1 1 275.377 2.873 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001008655791 618956912 /nfs/dbraw/zinc/95/69/12/618956912.db2.gz ATIHXUXHALWQTP-NSHDSACASA-N 1 1 296.773 2.859 20 30 CFEDMO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCc3ccccc3C2)C1 ZINC001008665242 618960205 /nfs/dbraw/zinc/96/02/05/618960205.db2.gz LFKHTEQVDKIEEP-ROUUACIJSA-N 1 1 298.430 2.558 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001006714330 619002701 /nfs/dbraw/zinc/00/27/01/619002701.db2.gz ICHDJMQOABNCOG-HZPDHXFCSA-N 1 1 276.424 2.890 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC(CC2)CC3)C1 ZINC001009608189 619003429 /nfs/dbraw/zinc/00/34/29/619003429.db2.gz FHSATGNSIMSRGC-PQUAAJSLSA-N 1 1 288.435 2.561 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001009632530 619004903 /nfs/dbraw/zinc/00/49/03/619004903.db2.gz XACMOKLJFNTTQS-QGZVFWFLSA-N 1 1 298.430 2.793 20 30 CFEDMO CC1(C#N)CC[NH+](Cc2cnn(C3CCC3)c2)CC1 ZINC000893470035 619009319 /nfs/dbraw/zinc/00/93/19/619009319.db2.gz HAWPNAXXCAOZBN-UHFFFAOYSA-N 1 1 258.369 2.734 20 30 CFEDMO CCCn1cc[nH+]c1CCCN(C)c1cc(C)cc(C#N)n1 ZINC000893489556 619016315 /nfs/dbraw/zinc/01/63/15/619016315.db2.gz YZPJLDXBURXWPI-UHFFFAOYSA-N 1 1 297.406 2.937 20 30 CFEDMO C#CC[NH+](CC#C)Cc1cccc(-c2cccnc2)c1 ZINC000093461444 619025582 /nfs/dbraw/zinc/02/55/82/619025582.db2.gz PNQRNAZNHYCSQP-UHFFFAOYSA-N 1 1 260.340 2.817 20 30 CFEDMO N#Cc1cncc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)c1 ZINC000931535011 619034339 /nfs/dbraw/zinc/03/43/39/619034339.db2.gz BVPPFDZQFZUUEU-QGZVFWFLSA-N 1 1 285.391 2.877 20 30 CFEDMO C=CCCCN(CC)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000893536629 619042801 /nfs/dbraw/zinc/04/28/01/619042801.db2.gz LLGFXWYLUAXENE-KGLIPLIRSA-N 1 1 279.428 2.609 20 30 CFEDMO CC(C)(O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC000931622924 619064191 /nfs/dbraw/zinc/06/41/91/619064191.db2.gz UFIKTLHNOFSREU-ZDUSSCGKSA-N 1 1 278.783 2.804 20 30 CFEDMO Cc1cc(C[NH2+]CC(C)(C)C#N)c2c(n1)CCCC2 ZINC000893552493 619068029 /nfs/dbraw/zinc/06/80/29/619068029.db2.gz VZPJXAWHCWCQLT-UHFFFAOYSA-N 1 1 257.381 2.908 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000190719069 619073188 /nfs/dbraw/zinc/07/31/88/619073188.db2.gz RDJCBCXUMCXSEX-CYBMUJFWSA-N 1 1 268.401 2.942 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000249142004 619104387 /nfs/dbraw/zinc/10/43/87/619104387.db2.gz 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C=C[C@H](CC)CC(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC000932155641 619198368 /nfs/dbraw/zinc/19/83/68/619198368.db2.gz KNFJSSBKMHAUIU-GFCCVEGCSA-N 1 1 270.336 2.808 20 30 CFEDMO CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@H](C#N)C1 ZINC000932155188 619198409 /nfs/dbraw/zinc/19/84/09/619198409.db2.gz YVHYRDDXEUCNME-CYBMUJFWSA-N 1 1 266.385 2.591 20 30 CFEDMO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932195020 619206129 /nfs/dbraw/zinc/20/61/29/619206129.db2.gz CSAVJYZKJIMISW-OLZOCXBDSA-N 1 1 294.420 2.515 20 30 CFEDMO C=CC[C@@H](C(=O)OC)[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932195020 619206132 /nfs/dbraw/zinc/20/61/32/619206132.db2.gz CSAVJYZKJIMISW-OLZOCXBDSA-N 1 1 294.420 2.515 20 30 CFEDMO CCC[N@@H+](CC)C[C@H](C)Nc1ccc(C#N)cc1CO ZINC000893923477 619244523 /nfs/dbraw/zinc/24/45/23/619244523.db2.gz FEUNNRBVEWWXEN-ZDUSSCGKSA-N 1 1 275.396 2.583 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@]3(C2)CCCOC3)cs1 ZINC000894306564 619320921 /nfs/dbraw/zinc/32/09/21/619320921.db2.gz ODATVJBAUFUASD-AWEZNQCLSA-N 1 1 262.378 2.622 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cs1 ZINC000894306565 619320977 /nfs/dbraw/zinc/32/09/77/619320977.db2.gz ODATVJBAUFUASD-CQSZACIVSA-N 1 1 262.378 2.622 20 30 CFEDMO C#C[C@H](CC)[NH2+]Cc1cc(C#N)ccc1Br ZINC000894386990 619362591 /nfs/dbraw/zinc/36/25/91/619362591.db2.gz GUZFHPYWACFYQK-GFCCVEGCSA-N 1 1 277.165 2.822 20 30 CFEDMO C#C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(Cl)cc1F ZINC000894405326 619370575 /nfs/dbraw/zinc/37/05/75/619370575.db2.gz FGZCGIKZOUWECL-TVQRCGJNSA-N 1 1 255.720 2.514 20 30 CFEDMO CCc1c[nH]c2nc[nH+]c(N3CCC[C@@H](CC#N)C3)c12 ZINC000894487567 619399416 /nfs/dbraw/zinc/39/94/16/619399416.db2.gz UWAKWFDEZADKQU-NSHDSACASA-N 1 1 269.352 2.650 20 30 CFEDMO C=CC[N@@H+](CCC#N)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000894585934 619424823 /nfs/dbraw/zinc/42/48/23/619424823.db2.gz WSCJIJDGJCTXQH-OKILXGFUSA-N 1 1 293.411 2.691 20 30 CFEDMO C=CC[N@H+](CCC#N)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000894585934 619424824 /nfs/dbraw/zinc/42/48/24/619424824.db2.gz WSCJIJDGJCTXQH-OKILXGFUSA-N 1 1 293.411 2.691 20 30 CFEDMO C[N@@H+](Cc1csc(C#N)c1)[C@H](CO)CC(C)(C)C ZINC000894746486 619454568 /nfs/dbraw/zinc/45/45/68/619454568.db2.gz YUHBSXJXWDOAKB-LBPRGKRZSA-N 1 1 266.410 2.849 20 30 CFEDMO CCCCC(N)=[NH+]OCC(=O)Nc1ccc(C)c(C)c1 ZINC000049066224 619509439 /nfs/dbraw/zinc/50/94/39/619509439.db2.gz JVUPKNOYDCLFQB-UHFFFAOYSA-N 1 1 277.368 2.721 20 30 CFEDMO Cc1cc(F)c(C#N)c(N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000895021722 619528960 /nfs/dbraw/zinc/52/89/60/619528960.db2.gz JKFDCBPAAQCYKZ-WFASDCNBSA-N 1 1 273.355 2.536 20 30 CFEDMO COc1cc(C[N@@H+](CCC#N)CC2CC2)c(O)cc1C ZINC000160139050 619537416 /nfs/dbraw/zinc/53/74/16/619537416.db2.gz ZCCCQGAXGLYHBG-UHFFFAOYSA-N 1 1 274.364 2.835 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cn(C)nc2C2CCCC2)C1 ZINC000895562707 619556391 /nfs/dbraw/zinc/55/63/91/619556391.db2.gz LWQRCTUKOPYKIU-CQSZACIVSA-N 1 1 271.408 2.923 20 30 CFEDMO C[N@H+]1CCN(Cc2ccc(C3(C#N)CC3)cc2)CC1(C)C ZINC000895565343 619559364 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C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc3occc3c2)C1 ZINC001014528135 620414095 /nfs/dbraw/zinc/41/40/95/620414095.db2.gz YSWBEWUGNZGADR-OAHLLOKOSA-N 1 1 284.359 2.813 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3C[C@@H]3C(F)F)CCC[C@@H]12 ZINC000990434342 620421252 /nfs/dbraw/zinc/42/12/52/620421252.db2.gz DVWUJPQUCZHCKZ-BCUIYNNISA-N 1 1 298.377 2.577 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3sccc3F)CCC[C@H]12 ZINC000990496819 620426744 /nfs/dbraw/zinc/42/67/44/620426744.db2.gz OPVZHXYQNNHLEC-WFASDCNBSA-N 1 1 294.395 2.800 20 30 CFEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)[C@H]3C[C@@H]3C(F)F)CCC[C@@H]12 ZINC000990511003 620427670 /nfs/dbraw/zinc/42/76/70/620427670.db2.gz APAACPHNCURDBP-JFILPPLUSA-N 1 1 298.377 2.577 20 30 CFEDMO CC#CC[N@H+]1CC[C@]2(NC(=O)C3CC(C)(C)C3)CCC[C@H]12 ZINC000990546504 620429616 /nfs/dbraw/zinc/42/96/16/620429616.db2.gz RLZLUCAQHRJLQY-MAUKXSAKSA-N 1 1 288.435 2.559 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)C3CC(C)(C)C3)CCC[C@@H]12 ZINC000990543251 620429810 /nfs/dbraw/zinc/42/98/10/620429810.db2.gz JPTFVKLBGRVCTP-PBHICJAKSA-N 1 1 276.424 2.722 20 30 CFEDMO C=CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000898669552 620487366 /nfs/dbraw/zinc/48/73/66/620487366.db2.gz QQCZYLZYNIOMOK-UONOGXRCSA-N 1 1 264.413 2.674 20 30 CFEDMO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000898783332 620493431 /nfs/dbraw/zinc/49/34/31/620493431.db2.gz PGSPMPSZCULIHD-QGZVFWFLSA-N 1 1 296.414 2.805 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000898980256 620511554 /nfs/dbraw/zinc/51/15/54/620511554.db2.gz CLEUJMNACHUMJS-HZSPNIEDSA-N 1 1 262.397 2.569 20 30 CFEDMO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000899020365 620515213 /nfs/dbraw/zinc/51/52/13/620515213.db2.gz VJOWZYHNBDIHET-QGZVFWFLSA-N 1 1 296.414 2.520 20 30 CFEDMO C=CC[C@H]([NH2+]CC[C@@H]1CCC(F)(F)C1)C(=O)OC ZINC000901671868 620889123 /nfs/dbraw/zinc/88/91/23/620889123.db2.gz FVRSZINZNHVHHT-QWRGUYRKSA-N 1 1 261.312 2.519 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3C=CC=CC=C3)CCC[C@H]12 ZINC000990934765 620951437 /nfs/dbraw/zinc/95/14/37/620951437.db2.gz KIHLOTGJVKZNPV-HKUYNNGSSA-N 1 1 298.430 2.974 20 30 CFEDMO C=CC[C@H]1CCC[N@@H+](CN2Cc3ccccc3C2=O)C1 ZINC000902313020 621030223 /nfs/dbraw/zinc/03/02/23/621030223.db2.gz NVAFAPSMWTXIBL-AWEZNQCLSA-N 1 1 270.376 2.888 20 30 CFEDMO CC[C@H]([NH2+]Cc1csc(N)n1)c1ccc(C#N)cc1 ZINC000902500014 621105479 /nfs/dbraw/zinc/10/54/79/621105479.db2.gz RWAFBBAWRQVUCI-ZDUSSCGKSA-N 1 1 272.377 2.838 20 30 CFEDMO CCC[N@@H+](CCO[C@H](C)C#N)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000801923097 621140922 /nfs/dbraw/zinc/14/09/22/621140922.db2.gz YVEWAOASLYPEQY-RBSFLKMASA-N 1 1 282.428 2.831 20 30 CFEDMO C[C@@H](ON=C(N)C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000902656041 621141724 /nfs/dbraw/zinc/14/17/24/621141724.db2.gz DIEKETWZQVZCTQ-CYBMUJFWSA-N 1 1 286.379 2.604 20 30 CFEDMO C=CCCC[N@@H+](CC)CN1C(=O)SC(C)(C)C1=O ZINC000902669957 621148600 /nfs/dbraw/zinc/14/86/00/621148600.db2.gz VOGIXPCVRZONSR-UHFFFAOYSA-N 1 1 270.398 2.706 20 30 CFEDMO C=CCCC[N@H+](CC)CN1C(=O)SC(C)(C)C1=O ZINC000902669957 621148602 /nfs/dbraw/zinc/14/86/02/621148602.db2.gz VOGIXPCVRZONSR-UHFFFAOYSA-N 1 1 270.398 2.706 20 30 CFEDMO C=CCCC[N@H+](CC)CN1C(=O)C(C)(C)[C@H]1[C@H]1CCCO1 ZINC000902669995 621148668 /nfs/dbraw/zinc/14/86/68/621148668.db2.gz WLGHBHXAMDNDSF-HUUCEWRRSA-N 1 1 294.439 2.648 20 30 CFEDMO C[C@H](NCc1cccc(C[NH+](C)C)c1)c1cc(C#N)ccn1 ZINC000902734374 621161511 /nfs/dbraw/zinc/16/15/11/621161511.db2.gz UQTDNCOYUNLAEH-AWEZNQCLSA-N 1 1 294.402 2.866 20 30 CFEDMO COc1cccc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)c1OC ZINC000902756173 621165784 /nfs/dbraw/zinc/16/57/84/621165784.db2.gz WGMPTRBCNCCBMF-LBPRGKRZSA-N 1 1 297.358 2.821 20 30 CFEDMO CC[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000902797444 621180123 /nfs/dbraw/zinc/18/01/23/621180123.db2.gz WDIUZJLVBQPHQU-NVXWUHKLSA-N 1 1 271.408 2.941 20 30 CFEDMO Cc1ccccc1[C@H](CO)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902830913 621186424 /nfs/dbraw/zinc/18/64/24/621186424.db2.gz UCNQFCLKLGDEAK-DYVFJYSZSA-N 1 1 281.359 2.646 20 30 CFEDMO CSc1cc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)ccn1 ZINC000902849119 621190793 /nfs/dbraw/zinc/19/07/93/621190793.db2.gz GHDVVSZPJLXANB-NSHDSACASA-N 1 1 284.388 2.921 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccccc1N(C)C)c1cc(C#N)ccn1 ZINC000902872362 621193991 /nfs/dbraw/zinc/19/39/91/621193991.db2.gz ZEMRVAPYLAHLBH-CYBMUJFWSA-N 1 1 280.375 2.870 20 30 CFEDMO COc1cc(F)cc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902893089 621201373 /nfs/dbraw/zinc/20/13/73/621201373.db2.gz TWPREVSERYBRCV-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO COCC[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccco1 ZINC000902944225 621207284 /nfs/dbraw/zinc/20/72/84/621207284.db2.gz DIJZCYHRXQOFCN-JSGCOSHPSA-N 1 1 285.347 2.975 20 30 CFEDMO C=CCC[C@H]([NH2+]CCc1n[nH]c(C)n1)[C@@]1(C)CCCCO1 ZINC000902944911 621207495 /nfs/dbraw/zinc/20/74/95/621207495.db2.gz NSCVDVPQEVLMBC-GOEBONIOSA-N 1 1 292.427 2.539 20 30 CFEDMO C=CCC[C@H]([NH2+]CCc1nnc(C)[nH]1)[C@@]1(C)CCCCO1 ZINC000902944911 621207497 /nfs/dbraw/zinc/20/74/97/621207497.db2.gz NSCVDVPQEVLMBC-GOEBONIOSA-N 1 1 292.427 2.539 20 30 CFEDMO CC[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cccc(C#N)c1 ZINC000902992772 621219811 /nfs/dbraw/zinc/21/98/11/621219811.db2.gz LZEYUDFAYNOSNA-HUUCEWRRSA-N 1 1 280.375 2.880 20 30 CFEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@H](C)c1cc(C#N)ccn1 ZINC000902993013 621219996 /nfs/dbraw/zinc/21/99/96/621219996.db2.gz ODJBGZAPEGOEKL-ZIAGYGMSSA-N 1 1 274.412 2.724 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCc2ccccc2C1(C)C ZINC000801939940 621223517 /nfs/dbraw/zinc/22/35/17/621223517.db2.gz JOFCJAJRDSKHIG-CYBMUJFWSA-N 1 1 258.365 2.708 20 30 CFEDMO C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000903058115 621236517 /nfs/dbraw/zinc/23/65/17/621236517.db2.gz DSOQEOSFKTWQNA-GDZNZVCISA-N 1 1 281.359 2.726 20 30 CFEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(F)cc1N(C)C ZINC000903105592 621255059 /nfs/dbraw/zinc/25/50/59/621255059.db2.gz FJNKGZBLDAFCPP-NSHDSACASA-N 1 1 261.344 2.846 20 30 CFEDMO COc1ccc2c(c1)[C@H]([NH2+]CC1(C#N)CC1)CCCO2 ZINC000903106375 621255502 /nfs/dbraw/zinc/25/55/02/621255502.db2.gz OQNWDUSNZTXFSV-CQSZACIVSA-N 1 1 272.348 2.802 20 30 CFEDMO N#Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1F ZINC000903184892 621278078 /nfs/dbraw/zinc/27/80/78/621278078.db2.gz ZWPRAZVQBUKTAV-ZXFUBFMLSA-N 1 1 299.393 2.945 20 30 CFEDMO N#CC1CCC(C[N@H+]2CCNC[C@H]2c2ccccc2)CC1 ZINC000903458590 621379669 /nfs/dbraw/zinc/37/96/69/621379669.db2.gz DYNUYCPPQGYGFQ-HTWSVDAQSA-N 1 1 283.419 2.963 20 30 CFEDMO N#CC1CCC(CN2CC[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000903458590 621379671 /nfs/dbraw/zinc/37/96/71/621379671.db2.gz DYNUYCPPQGYGFQ-HTWSVDAQSA-N 1 1 283.419 2.963 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000903454007 621387377 /nfs/dbraw/zinc/38/73/77/621387377.db2.gz RBIHKYRPLKIOPF-IYBDPMFKSA-N 1 1 269.392 2.501 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000903454007 621387379 /nfs/dbraw/zinc/38/73/79/621387379.db2.gz RBIHKYRPLKIOPF-IYBDPMFKSA-N 1 1 269.392 2.501 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000903453595 621387466 /nfs/dbraw/zinc/38/74/66/621387466.db2.gz DBWFBRWBQNJZAS-GOSISDBHSA-N 1 1 283.419 2.751 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1[C@@H](C)CCN[C@H]1C ZINC000903454946 621388275 /nfs/dbraw/zinc/38/82/75/621388275.db2.gz OOFBXJFDEYAIGG-PZSREKOKSA-N 1 1 271.408 2.651 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000903482319 621392481 /nfs/dbraw/zinc/39/24/81/621392481.db2.gz BNLBIHRZTUQCIA-UHFFFAOYSA-N 1 1 283.419 2.893 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000903482319 621392483 /nfs/dbraw/zinc/39/24/83/621392483.db2.gz BNLBIHRZTUQCIA-UHFFFAOYSA-N 1 1 283.419 2.893 20 30 CFEDMO C[N@H+]1CC[C@@H](CC(=O)N(O)Cc2cccc3ccccc32)C1 ZINC000904172984 621541851 /nfs/dbraw/zinc/54/18/51/621541851.db2.gz MSSMKNSXZUMSGZ-AWEZNQCLSA-N 1 1 298.386 2.899 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccnc2OCC)no1 ZINC000904566323 621611195 /nfs/dbraw/zinc/61/11/95/621611195.db2.gz SFPJHQYCXUJEIN-GFCCVEGCSA-N 1 1 288.351 2.886 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H]2CCO[C@@H](C)C2)no1 ZINC000904626476 621617352 /nfs/dbraw/zinc/61/73/52/621617352.db2.gz RFCZKTVFTFEDHD-TUAOUCFPSA-N 1 1 265.357 2.708 20 30 CFEDMO N#CC1(C[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905244642 621726607 /nfs/dbraw/zinc/72/66/07/621726607.db2.gz RAFDDONAPCQCFH-LBPRGKRZSA-N 1 1 285.174 2.920 20 30 CFEDMO CC[C@@](O)(C[NH2+]CC1(C#N)CCCCC1)C(F)(F)F ZINC000905385093 621752646 /nfs/dbraw/zinc/75/26/46/621752646.db2.gz OKRKCIOBUFEFAO-GFCCVEGCSA-N 1 1 278.318 2.753 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001015858326 625517046 /nfs/dbraw/zinc/51/70/46/625517046.db2.gz NORJQROCZRSCRJ-LBPRGKRZSA-N 1 1 293.436 2.647 20 30 CFEDMO CC(C)(C)c1coc(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)n1 ZINC000905668721 621813479 /nfs/dbraw/zinc/81/34/79/621813479.db2.gz 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CC#CC(=O)N(C)C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000830970136 624941639 /nfs/dbraw/zinc/94/16/39/624941639.db2.gz OVHNPBBJRCBPBH-QGZVFWFLSA-N 1 1 284.403 2.523 20 30 CFEDMO C[C@@]12C[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000831006402 624952179 /nfs/dbraw/zinc/95/21/79/624952179.db2.gz YBERARFQSUCSLA-SPOLIRPYSA-N 1 1 294.398 2.736 20 30 CFEDMO C#CCCCCC(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000180163048 625000431 /nfs/dbraw/zinc/00/04/31/625000431.db2.gz AMGPTWTUANJJQB-OAHLLOKOSA-N 1 1 264.413 2.561 20 30 CFEDMO C#CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000181094811 625064682 /nfs/dbraw/zinc/06/46/82/625064682.db2.gz MOVOKQGQKBEEDK-WMZOPIPTSA-N 1 1 287.403 2.682 20 30 CFEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000831618017 625073717 /nfs/dbraw/zinc/07/37/17/625073717.db2.gz OUYRFRJNJNGALU-BBWFWOEESA-N 1 1 298.386 2.894 20 30 CFEDMO CCCCCCCC(=O)N1CC[C@@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000834600549 625733054 /nfs/dbraw/zinc/73/30/54/625733054.db2.gz QXYKRILIRVKBLR-LSDHHAIUSA-N 1 1 284.419 2.992 20 30 CFEDMO CC[C@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(C#N)cc1 ZINC000834833209 625894204 /nfs/dbraw/zinc/89/42/04/625894204.db2.gz VXRYMSHNBXOLIK-LSDHHAIUSA-N 1 1 266.348 2.940 20 30 CFEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2nccn2CC)cc1 ZINC000834880438 625907471 /nfs/dbraw/zinc/90/74/71/625907471.db2.gz ZQSOKDSOJFTLJP-AWEZNQCLSA-N 1 1 283.375 2.766 20 30 CFEDMO C#Cc1cccc(C[NH2+][C@H](CC)c2ccn(C)n2)c1 ZINC000834902976 625916451 /nfs/dbraw/zinc/91/64/51/625916451.db2.gz MVAJBNCLOYXOSC-OAHLLOKOSA-N 1 1 253.349 2.642 20 30 CFEDMO C#CC[NH+](CC#C)Cc1ccc(N2CCCCC2)cc1 ZINC000769443173 625923226 /nfs/dbraw/zinc/92/32/26/625923226.db2.gz RFLSSUHGTGLDQE-UHFFFAOYSA-N 1 1 266.388 2.745 20 30 CFEDMO CC[C@H](C)[C@@H](C=[NH+]n1cnnc1-c1ccccc1)OC ZINC000834932716 625926686 /nfs/dbraw/zinc/92/66/86/625926686.db2.gz DKPHXBQBMJEJBQ-GXTWGEPZSA-N 1 1 272.352 2.840 20 30 CFEDMO Nc1ccc2c(n1)CCCC2=[NH+]NCc1cccc(F)c1 ZINC000834941950 625930011 /nfs/dbraw/zinc/93/00/11/625930011.db2.gz UQIKSUXXJOEMHT-UHFFFAOYSA-N 1 1 284.338 2.633 20 30 CFEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1cc(C(F)(F)F)ccn1 ZINC000834984000 625945073 /nfs/dbraw/zinc/94/50/73/625945073.db2.gz KFXGZRQOPAMYDP-VIFPVBQESA-N 1 1 298.312 2.982 20 30 CFEDMO CC(C)ON=C1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000834999455 625949100 /nfs/dbraw/zinc/94/91/00/625949100.db2.gz BTEVATPOAUGVOQ-ZDUSSCGKSA-N 1 1 261.369 2.704 20 30 CFEDMO CC(N=Nc1ccncn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000835000227 625950144 /nfs/dbraw/zinc/95/01/44/625950144.db2.gz BXSDDMCYRIKDCN-INIZCTEOSA-N 1 1 295.390 2.787 20 30 CFEDMO CCc1ccc(N[NH+]=Cc2cnc(N(C)C)nc2)cc1 ZINC000835012113 625958963 /nfs/dbraw/zinc/95/89/63/625958963.db2.gz WBILMXDDAZJFLY-UHFFFAOYSA-N 1 1 269.352 2.551 20 30 CFEDMO CC(=[NH+]N[C@@H]1CCOC1(C)C)c1ccc(Cl)c(N)c1 ZINC000835022268 625967406 /nfs/dbraw/zinc/96/74/06/625967406.db2.gz YNCGGRDGTKIUQZ-CYBMUJFWSA-N 1 1 281.787 2.803 20 30 CFEDMO C[C@@H](C#N)C[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819048243 625977594 /nfs/dbraw/zinc/97/75/94/625977594.db2.gz VOTKHDFJBJMGQJ-UFBFGSQYSA-N 1 1 273.163 2.776 20 30 CFEDMO C[C@@H](CNCc1csc(C#N)c1)[NH+]1CCCCC1 ZINC000921575956 625990718 /nfs/dbraw/zinc/99/07/18/625990718.db2.gz YHTPEUPJRNKNKG-LBPRGKRZSA-N 1 1 263.410 2.584 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CCC2)CC1 ZINC000997902150 626019617 /nfs/dbraw/zinc/01/96/17/626019617.db2.gz TXTBCKJDIQQIID-INIZCTEOSA-N 1 1 276.424 2.513 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@H](N(CC)C(=O)C2CCCC2)CC1 ZINC000997909382 626020801 /nfs/dbraw/zinc/02/08/01/626020801.db2.gz QZHJZVODUMQJAB-KRWDZBQOSA-N 1 1 290.451 2.903 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2ccoc2)CC1 ZINC000997928513 626023489 /nfs/dbraw/zinc/02/34/89/626023489.db2.gz NLTZTHZENDRNCI-MRXNPFEDSA-N 1 1 288.391 2.620 20 30 CFEDMO C=CC[N@H+]1CC[C@@H](NC(=O)Cc2cccc3ccccc32)C1 ZINC001016074981 626026959 /nfs/dbraw/zinc/02/69/59/626026959.db2.gz LVBXWLVVNXJMFX-QGZVFWFLSA-N 1 1 294.398 2.759 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000998085049 626030560 /nfs/dbraw/zinc/03/05/60/626030560.db2.gz PIMVDEJCMZOOGT-BZUAXINKSA-N 1 1 278.440 2.922 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000998094123 626031227 /nfs/dbraw/zinc/03/12/27/626031227.db2.gz NIBLBLYDOFHJFV-QLFBSQMISA-N 1 1 264.413 2.531 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)CC1 ZINC000998110111 626031810 /nfs/dbraw/zinc/03/18/10/626031810.db2.gz MEEXTCZLYSNEJI-BRWVUGGUSA-N 1 1 290.451 2.759 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)[C@H]2CC23CC3)CC1 ZINC000998138596 626033748 /nfs/dbraw/zinc/03/37/48/626033748.db2.gz DQAJWHZRCBQHOL-HZPDHXFCSA-N 1 1 288.435 2.513 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H](N(CC)C(=O)[C@H]2CC23CC3)CC1 ZINC000998138597 626033923 /nfs/dbraw/zinc/03/39/23/626033923.db2.gz DQAJWHZRCBQHOL-JKSUJKDBSA-N 1 1 288.435 2.513 20 30 CFEDMO CCOCC[N@@H+](CC)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000092537717 626046141 /nfs/dbraw/zinc/04/61/41/626046141.db2.gz LESKWDABCVDXEO-AWEZNQCLSA-N 1 1 276.380 2.836 20 30 CFEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)C2CCCC2)CC1 ZINC001000359331 626112952 /nfs/dbraw/zinc/11/29/52/626112952.db2.gz RMLMGIQRZVLGCV-UHFFFAOYSA-N 1 1 262.397 2.501 20 30 CFEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)c2ccc(C)o2)CC1 ZINC001000413177 626117771 /nfs/dbraw/zinc/11/77/71/626117771.db2.gz RFDBHTCSCRZVQL-UHFFFAOYSA-N 1 1 274.364 2.526 20 30 CFEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC2(F)F)CC1 ZINC001000833287 626132826 /nfs/dbraw/zinc/13/28/26/626132826.db2.gz IUADADDWVSVKNE-AWEZNQCLSA-N 1 1 298.377 2.746 20 30 CFEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]2CC)CC1 ZINC001001124060 626146217 /nfs/dbraw/zinc/14/62/17/626146217.db2.gz BXQGDXIUWZVYFW-CVEARBPZSA-N 1 1 276.424 2.747 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)c2ccccc2)CC1 ZINC001001153541 626148764 /nfs/dbraw/zinc/14/87/64/626148764.db2.gz OGXBYIGAVYHOSL-UHFFFAOYSA-N 1 1 292.810 2.881 20 30 CFEDMO C=C(C)CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2CC)CC1 ZINC001001179514 626150027 /nfs/dbraw/zinc/15/00/27/626150027.db2.gz OIWPXXXHPGBEMG-HZPDHXFCSA-N 1 1 276.424 2.747 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(CNC(=O)C2CC(C)C2)CC1 ZINC001001299895 626153642 /nfs/dbraw/zinc/15/36/42/626153642.db2.gz MLVAFBAMOIFBIA-UHFFFAOYSA-N 1 1 284.831 2.613 20 30 CFEDMO C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@@]2(C)C(C)C)CC1 ZINC001001311306 626153651 /nfs/dbraw/zinc/15/36/51/626153651.db2.gz SXWFQURFOPBSOZ-WMZOPIPTSA-N 1 1 290.451 2.993 20 30 CFEDMO C=CC[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@@]2(CC)C(C)C)CC1 ZINC001001324874 626154725 /nfs/dbraw/zinc/15/47/25/626154725.db2.gz IOHOAASGBVNRDA-WMZOPIPTSA-N 1 1 290.451 2.993 20 30 CFEDMO C#CCC[N@@H+]1CC=C(CNC(=O)C2CCC=CCC2)CC1 ZINC001001456857 626158197 /nfs/dbraw/zinc/15/81/97/626158197.db2.gz PPZNSTBGPPHNMN-UHFFFAOYSA-N 1 1 286.419 2.504 20 30 CFEDMO C#CC[N@@H+]1CC=C(CNC(=O)[C@H]2CCCCC2(C)C)CC1 ZINC001001481273 626159591 /nfs/dbraw/zinc/15/95/91/626159591.db2.gz NQDRWHVRQBHBIG-MRXNPFEDSA-N 1 1 288.435 2.584 20 30 CFEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000253096231 626172313 /nfs/dbraw/zinc/17/23/13/626172313.db2.gz LOTLHXOMESCABM-OEUWWYETSA-N 1 1 272.392 2.958 20 30 CFEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H]1COC(C)(C)O1 ZINC000851712525 634482689 /nfs/dbraw/zinc/48/26/89/634482689.db2.gz QCZFTCZUPQUQAF-GFCCVEGCSA-N 1 1 267.394 2.888 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001016316443 626182789 /nfs/dbraw/zinc/18/27/89/626182789.db2.gz NSCZLFWYLJYCNX-QGZVFWFLSA-N 1 1 284.403 2.944 20 30 CFEDMO C#CCOCC[N@@H+]1CC=C(c2ccc(C)cc2)CC1 ZINC000851713322 634483747 /nfs/dbraw/zinc/48/37/47/634483747.db2.gz BDEIECWUJMWQPJ-UHFFFAOYSA-N 1 1 255.361 2.734 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001016343880 626202278 /nfs/dbraw/zinc/20/22/78/626202278.db2.gz AFRHEWROQGHDNP-KRWDZBQOSA-N 1 1 298.430 2.793 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001016345250 626202896 /nfs/dbraw/zinc/20/28/96/626202896.db2.gz GVDXMIRDPYUJBH-SSHXOBKSSA-N 1 1 276.424 2.579 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[NH2+]Cc1ncnn1C(C)(C)C ZINC000922103921 626208644 /nfs/dbraw/zinc/20/86/44/626208644.db2.gz NWHUIRRHLDDANR-UHFFFAOYSA-N 1 1 297.406 2.811 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C23CC(C(C)(C)C)(C2)C3)C1 ZINC001016376509 626223818 /nfs/dbraw/zinc/22/38/18/626223818.db2.gz XSVFVQALUOJYSP-IGEOTXOUSA-N 1 1 276.424 2.579 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(NC(=O)c2cc(C)[nH]c2C)CC1 ZINC001003707053 626249563 /nfs/dbraw/zinc/24/95/63/626249563.db2.gz PJNNHPHKCVQBPH-UHFFFAOYSA-N 1 1 295.814 2.578 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000922283603 626259902 /nfs/dbraw/zinc/25/99/02/626259902.db2.gz FHJKMPJXWIICDD-MRXNPFEDSA-N 1 1 285.435 2.997 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CNC[C@H]1CCCC[N@@H+](C)C1 ZINC000922283603 626259905 /nfs/dbraw/zinc/25/99/05/626259905.db2.gz FHJKMPJXWIICDD-MRXNPFEDSA-N 1 1 285.435 2.997 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CNC[C@H]1CCCC[N@H+](C)C1 ZINC000922283603 626259907 /nfs/dbraw/zinc/25/99/07/626259907.db2.gz FHJKMPJXWIICDD-MRXNPFEDSA-N 1 1 285.435 2.997 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2C[C@@]2(C)CC)CC1 ZINC001003872171 626262805 /nfs/dbraw/zinc/26/28/05/626262805.db2.gz BNUAWTIPMBJYDK-DZGCQCFKSA-N 1 1 284.831 2.756 20 30 CFEDMO C[C@H]1Cc2cc(C[NH2+]Cc3nc(C#N)cs3)ccc2O1 ZINC000922701970 626348510 /nfs/dbraw/zinc/34/85/10/626348510.db2.gz SOJUJVVMVSIQIL-JTQLQIEISA-N 1 1 285.372 2.628 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)CC2CC2)CC1 ZINC001004321149 626350843 /nfs/dbraw/zinc/35/08/43/626350843.db2.gz VOVITMGEEJZZFY-QGZVFWFLSA-N 1 1 288.435 2.513 20 30 CFEDMO CC#CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)C=C(C)C)CC1 ZINC001004328203 626351485 /nfs/dbraw/zinc/35/14/85/626351485.db2.gz BUJSGQHYKNXSHA-QGZVFWFLSA-N 1 1 288.435 2.679 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)SC)CC1 ZINC001004349261 626356044 /nfs/dbraw/zinc/35/60/44/626356044.db2.gz 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CCCCCCCCNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000765203485 627122937 /nfs/dbraw/zinc/12/29/37/627122937.db2.gz KUUUBDJENRLRBZ-AWEZNQCLSA-N 1 1 286.485 2.900 20 30 CFEDMO c1ccc2nc(N=NC3CC[N@H+]4CCC[C@H]34)ccc2c1 ZINC000765549566 627146621 /nfs/dbraw/zinc/14/66/21/627146621.db2.gz XARQILRDKVJVTN-OAHLLOKOSA-N 1 1 266.348 2.871 20 30 CFEDMO Clc1ccccc1CNN=C1CC[N@H+]2CCC[C@H]12 ZINC000765572788 627147820 /nfs/dbraw/zinc/14/78/20/627147820.db2.gz TZHZZDUDBXSGQH-CQSZACIVSA-N 1 1 263.772 2.654 20 30 CFEDMO Cc1cccc(N2CCN(c3ccc(C#N)cc3)CC2)[nH+]1 ZINC000765587634 627148652 /nfs/dbraw/zinc/14/86/52/627148652.db2.gz OSOLRCMOBXZQIU-UHFFFAOYSA-N 1 1 278.359 2.588 20 30 CFEDMO CC[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1)[NH+](CC)CC ZINC000765967856 627167680 /nfs/dbraw/zinc/16/76/80/627167680.db2.gz TUXYSWWGLHAFAI-IUODEOHRSA-N 1 1 298.390 2.860 20 30 CFEDMO C=CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccncc1 ZINC000766018676 627171754 /nfs/dbraw/zinc/17/17/54/627171754.db2.gz FRUKHFKVEZYCPA-KBMXLJTQSA-N 1 1 259.397 2.771 20 30 CFEDMO C=CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccncc1 ZINC000766018676 627171756 /nfs/dbraw/zinc/17/17/56/627171756.db2.gz FRUKHFKVEZYCPA-KBMXLJTQSA-N 1 1 259.397 2.771 20 30 CFEDMO CCC1(C)CC[NH+](Cn2cc3c(c(C#N)c2=O)CCC3)CC1 ZINC000766619898 627211929 /nfs/dbraw/zinc/21/19/29/627211929.db2.gz PAYTUBXFLYSVDV-UHFFFAOYSA-N 1 1 299.418 2.678 20 30 CFEDMO CC(C)C[C@@H]1CCC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCC2 ZINC000766620881 627211935 /nfs/dbraw/zinc/21/19/35/627211935.db2.gz YIUYDEOCIMIIBU-HNNXBMFYSA-N 1 1 299.418 2.677 20 30 CFEDMO C#CCCCN1CC[NH+](Cc2ccccc2C)CC1 ZINC000766895920 627225349 /nfs/dbraw/zinc/22/53/49/627225349.db2.gz KPSMVGLNMQIZHZ-UHFFFAOYSA-N 1 1 256.393 2.526 20 30 CFEDMO C#CCCC[N@H+](CC)C[C@@H]1COc2ccccc2O1 ZINC000766897066 627225747 /nfs/dbraw/zinc/22/57/47/627225747.db2.gz XJRUTZWTGKRLSE-CQSZACIVSA-N 1 1 259.349 2.562 20 30 CFEDMO C#CCCC[N@@H+](Cc1ccccc1)C[C@H](C)C(=O)OC ZINC000766896998 627225768 /nfs/dbraw/zinc/22/57/68/627225768.db2.gz YKKLYDGYURLMRP-HNNXBMFYSA-N 1 1 273.376 2.711 20 30 CFEDMO C[C@H]1CC(N=Nc2cnccn2)C[N@@H+](Cc2ccccc2)C1 ZINC000767355637 627244649 /nfs/dbraw/zinc/24/46/49/627244649.db2.gz ILFNBFADFNCAJW-AWEZNQCLSA-N 1 1 295.390 2.787 20 30 CFEDMO C[C@@H](C#N)CN=NC1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000767388408 627247519 /nfs/dbraw/zinc/24/75/19/627247519.db2.gz SSCJCDNARGWQCF-CABCVRRESA-N 1 1 284.407 2.634 20 30 CFEDMO CC#CCCCC(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000767665557 627271131 /nfs/dbraw/zinc/27/11/31/627271131.db2.gz QDNMOTIZMCQNAE-CQSZACIVSA-N 1 1 251.370 2.598 20 30 CFEDMO Cc1cc(CNC[C@H](C)[NH+]2CCCCC2)ccc1C#N ZINC000767682472 627274478 /nfs/dbraw/zinc/27/44/78/627274478.db2.gz RZQKHFMWXLZAIK-HNNXBMFYSA-N 1 1 271.408 2.831 20 30 CFEDMO Cc1cc(CNC[C@@H](C)[NH+]2CCCCC2)ccc1C#N ZINC000767682484 627274660 /nfs/dbraw/zinc/27/46/60/627274660.db2.gz RZQKHFMWXLZAIK-OAHLLOKOSA-N 1 1 271.408 2.831 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000768173209 627322605 /nfs/dbraw/zinc/32/26/05/627322605.db2.gz UXDRWQQGAJGSPO-GDBMZVCRSA-N 1 1 273.376 2.698 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1C[C@@H](C)OC[C@H]1CC ZINC000768173209 627322609 /nfs/dbraw/zinc/32/26/09/627322609.db2.gz UXDRWQQGAJGSPO-GDBMZVCRSA-N 1 1 273.376 2.698 20 30 CFEDMO CC[N@H+]1CCC(N=Nc2cc(C#N)cc(Cl)n2)[C@H](C)C1 ZINC000768376767 627338470 /nfs/dbraw/zinc/33/84/70/627338470.db2.gz VRRSXQTUHUEXQP-SNVBAGLBSA-N 1 1 291.786 2.736 20 30 CFEDMO C#CCOc1ccc(C[N@@H+](CC)C[C@H]2CCOC2)cc1 ZINC000768522139 627349404 /nfs/dbraw/zinc/34/94/04/627349404.db2.gz ZQPSNYQJIIOFHV-MRXNPFEDSA-N 1 1 273.376 2.557 20 30 CFEDMO C#CC[N@@H+](CC)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000769110893 627403440 /nfs/dbraw/zinc/40/34/40/627403440.db2.gz JUVVFDUIUAUXHI-UHFFFAOYSA-N 1 1 289.379 2.884 20 30 CFEDMO C#CC[N@H+](CC)Cc1ccc(NC(=O)OC(C)(C)C)nc1 ZINC000769110893 627403441 /nfs/dbraw/zinc/40/34/41/627403441.db2.gz JUVVFDUIUAUXHI-UHFFFAOYSA-N 1 1 289.379 2.884 20 30 CFEDMO C#CC[N@H+](CC)Cc1ccc(OC)c(OCCC)c1 ZINC000769111498 627403500 /nfs/dbraw/zinc/40/35/00/627403500.db2.gz PMOBCTBCQRWLJQ-UHFFFAOYSA-N 1 1 261.365 2.939 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)C1CCN(C(C)=O)CC1 ZINC000769111993 627403514 /nfs/dbraw/zinc/40/35/14/627403514.db2.gz UZEYLBQGVQBFIO-UHFFFAOYSA-N 1 1 286.419 2.728 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000769314315 627423334 /nfs/dbraw/zinc/42/33/34/627423334.db2.gz XIRSWFJDDFOZRX-KRWDZBQOSA-N 1 1 295.386 2.732 20 30 CFEDMO C#CC[NH+](CC#C)Cc1sc2nc(C)nc(C)c2c1C ZINC000769441684 627438370 /nfs/dbraw/zinc/43/83/70/627438370.db2.gz HDUACVRICOJFMY-UHFFFAOYSA-N 1 1 283.400 2.685 20 30 CFEDMO C#CC[NH+](CC#C)Cc1ccc2cc(OC)ccc2c1 ZINC000769443189 627439382 /nfs/dbraw/zinc/43/93/82/627439382.db2.gz RQQVOJFODCFGMO-UHFFFAOYSA-N 1 1 263.340 2.917 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCOC(C)(C)[C@H]2C)cc1 ZINC000769452333 627440580 /nfs/dbraw/zinc/44/05/80/627440580.db2.gz WNZNMAAMOXTDCB-CQSZACIVSA-N 1 1 273.376 2.698 20 30 CFEDMO C#CC[N@@H+](Cc1cccc2c1OCO2)C1CCCC1 ZINC000769531504 627452351 /nfs/dbraw/zinc/45/23/51/627452351.db2.gz SQWZJHBJYIVPLL-UHFFFAOYSA-N 1 1 257.333 2.793 20 30 CFEDMO C[C@H](/N=C\c1c(O)ccc2ccccc21)[C@H]1C[N@H+](C)CCO1 ZINC000769774728 627473263 /nfs/dbraw/zinc/47/32/63/627473263.db2.gz RUYFXRZRQOPVCX-UTYDQQBLSA-N 1 1 298.386 2.683 20 30 CFEDMO C[C@H](/N=C\c1c(O)ccc2ccccc21)[C@H]1C[N@@H+](C)CCO1 ZINC000769774728 627473264 /nfs/dbraw/zinc/47/32/64/627473264.db2.gz RUYFXRZRQOPVCX-UTYDQQBLSA-N 1 1 298.386 2.683 20 30 CFEDMO C[C@@H]1CC(N=Nc2ccc(F)c([N+](=O)[O-])c2)CC[N@H+]1C ZINC000769823387 627478914 /nfs/dbraw/zinc/47/89/14/627478914.db2.gz WAUHXYYJFNTSNB-SECBINFHSA-N 1 1 280.303 2.616 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(I)cc1 ZINC000769961042 627491545 /nfs/dbraw/zinc/49/15/45/627491545.db2.gz MPNKHIBLFHXWGV-JTQLQIEISA-N 1 1 299.155 2.745 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000769960928 627491597 /nfs/dbraw/zinc/49/15/97/627491597.db2.gz FAFYLOWNYWZLOF-NOZJJQNGSA-N 1 1 272.175 2.980 20 30 CFEDMO C#C[C@H](C)[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000769963124 627492374 /nfs/dbraw/zinc/49/23/74/627492374.db2.gz SJNIIUPAAXRZNT-HNNXBMFYSA-N 1 1 286.419 2.767 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000769963124 627492376 /nfs/dbraw/zinc/49/23/76/627492376.db2.gz SJNIIUPAAXRZNT-HNNXBMFYSA-N 1 1 286.419 2.767 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000769962251 627492724 /nfs/dbraw/zinc/49/27/24/627492724.db2.gz DHMQONCUCKDVKG-SUMWQHHRSA-N 1 1 290.382 2.593 20 30 CFEDMO C#C[C@H](C)[N@H+](C)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000769962251 627492726 /nfs/dbraw/zinc/49/27/26/627492726.db2.gz DHMQONCUCKDVKG-SUMWQHHRSA-N 1 1 290.382 2.593 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000769962338 627492749 /nfs/dbraw/zinc/49/27/49/627492749.db2.gz XMDLXGGWYLYJKD-WFASDCNBSA-N 1 1 292.810 2.861 20 30 CFEDMO C#C[C@H](C)[N@H+](C)CC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000769962338 627492751 /nfs/dbraw/zinc/49/27/51/627492751.db2.gz XMDLXGGWYLYJKD-WFASDCNBSA-N 1 1 292.810 2.861 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000769975393 627493305 /nfs/dbraw/zinc/49/33/05/627493305.db2.gz FDOPZFROZMGETC-LSDHHAIUSA-N 1 1 298.430 2.696 20 30 CFEDMO C#C[C@H](C)[N@H+](C)CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000769975393 627493308 /nfs/dbraw/zinc/49/33/08/627493308.db2.gz FDOPZFROZMGETC-LSDHHAIUSA-N 1 1 298.430 2.696 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000769975717 627493945 /nfs/dbraw/zinc/49/39/45/627493945.db2.gz JMYANTQDTZDRHR-ZBFHGGJFSA-N 1 1 289.419 2.677 20 30 CFEDMO C[C@@H]1CCC[N@H+]1CCNc1snc(Cl)c1C#N ZINC000771228387 627586435 /nfs/dbraw/zinc/58/64/35/627586435.db2.gz GQCUYHYVHQFBRH-MRVPVSSYSA-N 1 1 270.789 2.564 20 30 CFEDMO CC[N@@H+]1CCCC[C@@H]1C(=O)OCC#Cc1ccc(F)cc1 ZINC000771363643 627598163 /nfs/dbraw/zinc/59/81/63/627598163.db2.gz RTCMBZMWPGGXSY-MRXNPFEDSA-N 1 1 289.350 2.595 20 30 CFEDMO CC[N@H+]1CCCC[C@@H]1C(=O)OCC#Cc1ccc(F)cc1 ZINC000771363643 627598166 /nfs/dbraw/zinc/59/81/66/627598166.db2.gz RTCMBZMWPGGXSY-MRXNPFEDSA-N 1 1 289.350 2.595 20 30 CFEDMO C=CC[N@H+](CN1Cc2ccc(F)cc2C1=O)C(C)C ZINC000771624653 627618671 /nfs/dbraw/zinc/61/86/71/627618671.db2.gz ZVUUQORVEBMGOC-UHFFFAOYSA-N 1 1 262.328 2.635 20 30 CFEDMO C=CC[N@@H+](CN1Cc2ccc(F)cc2C1=O)C(C)C ZINC000771624653 627618673 /nfs/dbraw/zinc/61/86/73/627618673.db2.gz ZVUUQORVEBMGOC-UHFFFAOYSA-N 1 1 262.328 2.635 20 30 CFEDMO C=CC[N@@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000771640824 627620020 /nfs/dbraw/zinc/62/00/20/627620020.db2.gz SBSRSGCYXWOSBT-UHFFFAOYSA-N 1 1 272.308 2.552 20 30 CFEDMO C=CC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000771640824 627620021 /nfs/dbraw/zinc/62/00/21/627620021.db2.gz SBSRSGCYXWOSBT-UHFFFAOYSA-N 1 1 272.308 2.552 20 30 CFEDMO C=CC[N@H+](Cn1nccc1-c1ccncc1)C1CC1 ZINC000771640524 627620219 /nfs/dbraw/zinc/62/02/19/627620219.db2.gz ODINJIOCHXCUGN-UHFFFAOYSA-N 1 1 254.337 2.553 20 30 CFEDMO C=CC[N@@H+](Cn1nccc1-c1ccncc1)C1CC1 ZINC000771640524 627620221 /nfs/dbraw/zinc/62/02/21/627620221.db2.gz ODINJIOCHXCUGN-UHFFFAOYSA-N 1 1 254.337 2.553 20 30 CFEDMO CC(=[NH+]N[C@@H](C)CC#N)c1ccc(F)cc1N(C)C ZINC000771880985 627641627 /nfs/dbraw/zinc/64/16/27/627641627.db2.gz OKWUARIJRWZNIG-JTQLQIEISA-N 1 1 262.332 2.507 20 30 CFEDMO C=CC[N@H+](C[C@H]1CCN(C(=O)OC(C)(C)C)C1)C1CC1 ZINC000772381745 627705991 /nfs/dbraw/zinc/70/59/91/627705991.db2.gz KUFRPYVTNNXMAT-CYBMUJFWSA-N 1 1 280.412 2.894 20 30 CFEDMO C#CC[N@H+](CCSc1cccc(OC)c1)C1CC1 ZINC000851937990 634600781 /nfs/dbraw/zinc/60/07/81/634600781.db2.gz GOBLEVGYPQDWIT-UHFFFAOYSA-N 1 1 261.390 2.885 20 30 CFEDMO CC(C)c1nccnc1N=NC1C[N@@H+](C(C)C)C[C@H]1C ZINC000773092943 627782954 /nfs/dbraw/zinc/78/29/54/627782954.db2.gz HNMTWYCGPADHIL-GFCCVEGCSA-N 1 1 275.400 2.728 20 30 CFEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C\c2ccn(C)n2)cc1 ZINC000773154666 627790097 /nfs/dbraw/zinc/79/00/97/627790097.db2.gz VSFLURLFBOXHTQ-YVMONPNESA-N 1 1 292.342 2.810 20 30 CFEDMO C=C(CC)C[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000773423527 627817395 /nfs/dbraw/zinc/81/73/95/627817395.db2.gz GHDPSULYUUKCKJ-ZDUSSCGKSA-N 1 1 268.401 2.894 20 30 CFEDMO CC(C)C1(O)C[NH+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000773893759 627868570 /nfs/dbraw/zinc/86/85/70/627868570.db2.gz PNSWDGIQNZOGHE-UHFFFAOYSA-N 1 1 272.392 2.690 20 30 CFEDMO COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2)c1 ZINC000774128788 627890922 /nfs/dbraw/zinc/89/09/22/627890922.db2.gz FZJSAGODMFVSMR-LLVKDONJSA-N 1 1 284.315 2.789 20 30 CFEDMO CC[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1ccc(C#N)cc1 ZINC000774382947 627920104 /nfs/dbraw/zinc/92/01/04/627920104.db2.gz XPTMNPJBDPDBES-NHYWBVRUSA-N 1 1 296.378 2.682 20 30 CFEDMO CCOCCON=C1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000774434917 627924981 /nfs/dbraw/zinc/92/49/81/627924981.db2.gz OLXBYWJHWPHTMK-AWEZNQCLSA-N 1 1 276.380 2.690 20 30 CFEDMO Cc1cc(C[N@H+]2CCCC[C@@H]2C2OCCO2)ccc1C#N ZINC000774874529 627975584 /nfs/dbraw/zinc/97/55/84/627975584.db2.gz DBZFCHSDMKFQFT-MRXNPFEDSA-N 1 1 286.375 2.594 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cccc(Cl)c1F)[C@@H]1CCCO1 ZINC000775340276 628011454 /nfs/dbraw/zinc/01/14/54/628011454.db2.gz GMEAEFCKCOTCRS-OLZOCXBDSA-N 1 1 267.731 2.750 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cnc(C(C)(C)C)s1)[C@@H]1CCCO1 ZINC000775342283 628012232 /nfs/dbraw/zinc/01/22/32/628012232.db2.gz QBDALZHASCPOSF-OLZOCXBDSA-N 1 1 278.421 2.711 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccccc1Br)[C@@H]1CCCO1 ZINC000775344814 628013339 /nfs/dbraw/zinc/01/33/39/628013339.db2.gz KEHUGRHQRXERLY-KBPBESRZSA-N 1 1 294.192 2.720 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc(Cl)ccc1OC)[C@@H]1CCCO1 ZINC000775344186 628013399 /nfs/dbraw/zinc/01/33/99/628013399.db2.gz DPGUINGGXOQFMQ-ZFWWWQNUSA-N 1 1 279.767 2.619 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(Cl)cn1)[C@H]1CCCO1 ZINC000775575441 628042576 /nfs/dbraw/zinc/04/25/76/628042576.db2.gz XHFNTPYCZISBIB-SCDSUCTJSA-N 1 1 264.756 2.566 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000775590067 628043121 /nfs/dbraw/zinc/04/31/21/628043121.db2.gz BDSQRDMFWVFNJU-CYBMUJFWSA-N 1 1 268.401 2.799 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1ccccc1OC(F)F)[C@@H]1CCCO1 ZINC000775789197 628067922 /nfs/dbraw/zinc/06/79/22/628067922.db2.gz KZHCGHXGRFLPSD-OCCSQVGLSA-N 1 1 281.302 2.558 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000775790626 628068030 /nfs/dbraw/zinc/06/80/30/628068030.db2.gz QUHVVRQGRQAXGY-OCCSQVGLSA-N 1 1 294.738 2.519 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1ccccc1OC(C)C)[C@H]1CCCO1 ZINC000775792432 628068801 /nfs/dbraw/zinc/06/88/01/628068801.db2.gz SBIZBJNSBHODMV-NVXWUHKLSA-N 1 1 273.376 2.744 20 30 CFEDMO C=CCCC[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC000775924476 628083953 /nfs/dbraw/zinc/08/39/53/628083953.db2.gz AHTREIFINRPCJW-CYBMUJFWSA-N 1 1 263.385 2.833 20 30 CFEDMO CCCCCCCCNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000776057716 628097687 /nfs/dbraw/zinc/09/76/87/628097687.db2.gz YCYQPBFUKPIPBO-UHFFFAOYSA-N 1 1 281.444 2.908 20 30 CFEDMO C[C@@H](N[C@@H]1CC[N@H+](CC2CC2)C1)c1ccc(OCC#N)cc1 ZINC000776159685 628107996 /nfs/dbraw/zinc/10/79/96/628107996.db2.gz ZFFFBYPJYWFKDR-RHSMWYFYSA-N 1 1 299.418 2.724 20 30 CFEDMO C[C@@H](N[C@@H]1CC[N@@H+](CC2CC2)C1)c1ccc(OCC#N)cc1 ZINC000776159685 628107999 /nfs/dbraw/zinc/10/79/99/628107999.db2.gz ZFFFBYPJYWFKDR-RHSMWYFYSA-N 1 1 299.418 2.724 20 30 CFEDMO CN(C)c1cc[nH+]cc1CN=Nc1c(F)cccc1F ZINC000776186379 628113486 /nfs/dbraw/zinc/11/34/86/628113486.db2.gz NCNNGCCYZAASJE-UHFFFAOYSA-N 1 1 276.290 2.872 20 30 CFEDMO C#CCOCC[N@H+](C)[C@H](CC)c1cccc(OC)c1 ZINC000852052696 634637639 /nfs/dbraw/zinc/63/76/39/634637639.db2.gz RYOJJRIEZWRDAN-MRXNPFEDSA-N 1 1 261.365 2.728 20 30 CFEDMO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000776579907 628160201 /nfs/dbraw/zinc/16/02/01/628160201.db2.gz PLVSSUVSWCHQHI-ZDUSSCGKSA-N 1 1 295.427 2.915 20 30 CFEDMO C=CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000776605521 628164163 /nfs/dbraw/zinc/16/41/63/628164163.db2.gz DRRVPXIXOZKETP-RYUDHWBXSA-N 1 1 254.374 2.502 20 30 CFEDMO C=CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000776605521 628164165 /nfs/dbraw/zinc/16/41/65/628164165.db2.gz DRRVPXIXOZKETP-RYUDHWBXSA-N 1 1 254.374 2.502 20 30 CFEDMO Cc1cc2ccccc2nc1N=NC1C[N@H+](C)C[C@H]1C ZINC000776786636 628177986 /nfs/dbraw/zinc/17/79/86/628177986.db2.gz ZIUORBSIVMWVJY-GFCCVEGCSA-N 1 1 268.364 2.893 20 30 CFEDMO C#CC[N@@H+](CC(=O)c1cc(C)[nH]c1C)C1CCCC1 ZINC000777600188 628240418 /nfs/dbraw/zinc/24/04/18/628240418.db2.gz MJSGGONUSSNXAI-UHFFFAOYSA-N 1 1 258.365 2.692 20 30 CFEDMO C#CC[N@H+](CC(=O)c1cc(C)[nH]c1C)C1CCCC1 ZINC000777600188 628240421 /nfs/dbraw/zinc/24/04/21/628240421.db2.gz MJSGGONUSSNXAI-UHFFFAOYSA-N 1 1 258.365 2.692 20 30 CFEDMO C=C(Br)C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000777742081 628250441 /nfs/dbraw/zinc/25/04/41/628250441.db2.gz DTYRCIJJGBCZMI-LBPRGKRZSA-N 1 1 274.202 2.786 20 30 CFEDMO C#CCOc1ccccc1OC(=O)[C@@H](CC)[NH+](CC)CC ZINC000778636574 628321166 /nfs/dbraw/zinc/32/11/66/628321166.db2.gz SNKAYGZSOOZRJF-CQSZACIVSA-N 1 1 289.375 2.724 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](CC=C)c1ccccc1 ZINC000778633604 628321218 /nfs/dbraw/zinc/32/12/18/628321218.db2.gz GYKWYOWKTLEKNT-MSOLQXFVSA-N 1 1 297.398 2.987 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)/C(C)=C/c2ccc(C)cc2)CC1 ZINC000778684074 628324390 /nfs/dbraw/zinc/32/43/90/628324390.db2.gz SHLSAUXEPGGRLN-BMRADRMJSA-N 1 1 296.414 2.566 20 30 CFEDMO COC[C@@H](C)NN=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779781503 628402781 /nfs/dbraw/zinc/40/27/81/628402781.db2.gz BJIBVUDZIQKVKQ-RHSMWYFYSA-N 1 1 289.423 2.509 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1ccn(-c2cccc(F)c2)n1 ZINC000852099099 634652958 /nfs/dbraw/zinc/65/29/58/634652958.db2.gz DQPUGZFRCKTMGE-INIZCTEOSA-N 1 1 271.339 2.903 20 30 CFEDMO Cc1ccc(-c2ccc(C=NNC3=[NH+]C[C@@H](C)N3)s2)cc1 ZINC000779792224 628406670 /nfs/dbraw/zinc/40/66/70/628406670.db2.gz QIEHIHLRMYXBRC-GFCCVEGCSA-N 1 1 298.415 2.995 20 30 CFEDMO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc2c3c(cccc31)CC2 ZINC000779794667 628407165 /nfs/dbraw/zinc/40/71/65/628407165.db2.gz KPFHVFMLXFKVFM-LLVKDONJSA-N 1 1 292.386 2.600 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1cc2c(s1)CCC2 ZINC000779807482 628408020 /nfs/dbraw/zinc/40/80/20/628408020.db2.gz YVTYUMFMRMENIL-UHFFFAOYSA-N 1 1 257.362 2.890 20 30 CFEDMO Cc1ccc2c(c1C)C(=NNc1cc[nH+]cc1)CCO2 ZINC000779809118 628408529 /nfs/dbraw/zinc/40/85/29/628408529.db2.gz FJVWSLJYAHNQNP-UHFFFAOYSA-N 1 1 267.332 2.719 20 30 CFEDMO Fc1cc(C=NNc2cc[nH+]cc2)ccc1OC(F)F ZINC000779810120 628409323 /nfs/dbraw/zinc/40/93/23/628409323.db2.gz WDBFWHIAACHILQ-UHFFFAOYSA-N 1 1 281.237 2.690 20 30 CFEDMO CCOc1ccc(C(C)=NNc2cc[nH+]cc2)cc1 ZINC000779809695 628409343 /nfs/dbraw/zinc/40/93/43/628409343.db2.gz SNIVUQMNSZOZAX-UHFFFAOYSA-N 1 1 255.321 2.738 20 30 CFEDMO Fc1ccc2c(c1)CCCC2=NNc1cc[nH+]cc1 ZINC000779810988 628409376 /nfs/dbraw/zinc/40/93/76/628409376.db2.gz AXCJCADQUBMUHE-UHFFFAOYSA-N 1 1 255.296 2.795 20 30 CFEDMO FC(F)(F)c1ccccc1C=NNc1cc[nH+]cc1 ZINC000779810986 628409380 /nfs/dbraw/zinc/40/93/80/628409380.db2.gz AUZFCIPVFICDJV-UHFFFAOYSA-N 1 1 265.238 2.968 20 30 CFEDMO COc1ccc(C=NNc2cc[nH+]cc2)cc1OC(F)F ZINC000779812631 628409695 /nfs/dbraw/zinc/40/96/95/628409695.db2.gz VMVMYQNRLMVGTH-UHFFFAOYSA-N 1 1 293.273 2.560 20 30 CFEDMO C[C@H]1CC(N=Nc2ccc3n[nH]cc3c2)C[N@H+]1C1CC1 ZINC000779817102 628410350 /nfs/dbraw/zinc/41/03/50/628410350.db2.gz BVUKCRNJKVOOPT-JTQLQIEISA-N 1 1 269.352 2.587 20 30 CFEDMO C#CCCCCCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000779965188 628421236 /nfs/dbraw/zinc/42/12/36/628421236.db2.gz ULEQVDPIYSQGSE-HUUCEWRRSA-N 1 1 264.413 2.511 20 30 CFEDMO C#CCCCCCC(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000780257617 628446513 /nfs/dbraw/zinc/44/65/13/628446513.db2.gz TWTGLHZFPCZRPG-HNNXBMFYSA-N 1 1 265.397 2.988 20 30 CFEDMO COCC[N@H+](CCC#N)C[C@@H]1CCc2ccccc21 ZINC000780293459 628452117 /nfs/dbraw/zinc/45/21/17/628452117.db2.gz WCJWECHSXZFAKY-HNNXBMFYSA-N 1 1 258.365 2.578 20 30 CFEDMO COCC[N@@H+](CCC#N)C[C@@H]1CCc2ccccc21 ZINC000780293459 628452119 /nfs/dbraw/zinc/45/21/19/628452119.db2.gz WCJWECHSXZFAKY-HNNXBMFYSA-N 1 1 258.365 2.578 20 30 CFEDMO CC1(C#N)CC[NH+](CC(=O)NC2CCCCCCC2)CC1 ZINC000780334268 628455809 /nfs/dbraw/zinc/45/58/09/628455809.db2.gz VTSKDAMVZYHDEC-UHFFFAOYSA-N 1 1 291.439 2.841 20 30 CFEDMO C#C[C@](C)(CC)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000852101733 634656934 /nfs/dbraw/zinc/65/69/34/634656934.db2.gz HWJIZBQWXFYNIR-CYBMUJFWSA-N 1 1 250.273 2.625 20 30 CFEDMO C=CCOc1ccccc1C[NH2+]Cc1ccc(C#N)cn1 ZINC000780555082 628475638 /nfs/dbraw/zinc/47/56/38/628475638.db2.gz NFPBXUPJSBAYNA-UHFFFAOYSA-N 1 1 279.343 2.808 20 30 CFEDMO CCOc1ccc(C[NH2+]Cc2ccc(C#N)cn2)cc1OC ZINC000780555806 628476046 /nfs/dbraw/zinc/47/60/46/628476046.db2.gz SRABFWMCDLURLW-UHFFFAOYSA-N 1 1 297.358 2.650 20 30 CFEDMO CCCC[C@H](ON=C(C)C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000780979873 628510127 /nfs/dbraw/zinc/51/01/27/628510127.db2.gz YMLQSALWZXRFFP-GJZGRUSLSA-N 1 1 297.443 2.558 20 30 CFEDMO CCc1[nH+]c(C=NNc2ccnc(F)c2)c2ccccn21 ZINC000781134018 628525389 /nfs/dbraw/zinc/52/53/89/628525389.db2.gz PAAMSZUPHBZZFF-UHFFFAOYSA-N 1 1 283.310 2.877 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C1(C)CCCCC1 ZINC000781472506 628551417 /nfs/dbraw/zinc/55/14/17/628551417.db2.gz DQDMWLSPYUCRJL-AWEZNQCLSA-N 1 1 263.381 2.598 20 30 CFEDMO C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)[C@@H](C)[C@@H](C)O1 ZINC000782626236 628649827 /nfs/dbraw/zinc/64/98/27/628649827.db2.gz ZPGLVTJMYXUHJX-QLFBSQMISA-N 1 1 288.391 2.825 20 30 CFEDMO COc1cc([C@H](C)[NH2+]Cc2ccc(C#N)cn2)ccc1F ZINC000783294708 628698275 /nfs/dbraw/zinc/69/82/75/628698275.db2.gz UDWYIHYIZFNRDC-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCOCC3(CC3)C2)cc1 ZINC000783598894 628725061 /nfs/dbraw/zinc/72/50/61/628725061.db2.gz DPBWXSOKOHTCMH-AWEZNQCLSA-N 1 1 286.375 2.590 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1 ZINC000783737562 628739913 /nfs/dbraw/zinc/73/99/13/628739913.db2.gz NOKWRTWUKJYOBM-KKUMJFAQSA-N 1 1 273.376 2.696 20 30 CFEDMO COc1cc(C)cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c1O ZINC000784011353 628763014 /nfs/dbraw/zinc/76/30/14/628763014.db2.gz DHZJGUDTSRQIIU-INIZCTEOSA-N 1 1 274.364 2.835 20 30 CFEDMO COc1cc(C)cc(C[N@H+]2CCC[C@@](C)(C#N)C2)c1O ZINC000784011353 628763017 /nfs/dbraw/zinc/76/30/17/628763017.db2.gz DHZJGUDTSRQIIU-INIZCTEOSA-N 1 1 274.364 2.835 20 30 CFEDMO C[N@@H+](CCc1ccc(C#N)cc1)C[C@@](C)(O)c1ccccc1 ZINC000852192509 634684948 /nfs/dbraw/zinc/68/49/48/634684948.db2.gz RVGDFXHLXRVXJF-LJQANCHMSA-N 1 1 294.398 2.940 20 30 CFEDMO C#CC[C@@H]([NH2+]Cc1cc(OC)ccn1)c1ccccc1 ZINC000784265645 628796284 /nfs/dbraw/zinc/79/62/84/628796284.db2.gz KQIQZARYVZXTRO-QGZVFWFLSA-N 1 1 266.344 2.944 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccccn1 ZINC000852192862 634685256 /nfs/dbraw/zinc/68/52/56/634685256.db2.gz VKWLOVATZQXOOM-GUYCJALGSA-N 1 1 281.359 2.680 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)O[C@H](C#N)C1CCCCC1 ZINC000785743375 628909884 /nfs/dbraw/zinc/90/98/84/628909884.db2.gz QCFAMKLLKJQITC-VNHYZAJKSA-N 1 1 278.396 2.875 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)O[C@H](C#N)C1CCCCC1 ZINC000785743375 628909886 /nfs/dbraw/zinc/90/98/86/628909886.db2.gz QCFAMKLLKJQITC-VNHYZAJKSA-N 1 1 278.396 2.875 20 30 CFEDMO C#CCOCC[N@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000852215565 634692806 /nfs/dbraw/zinc/69/28/06/634692806.db2.gz RLAZDRMIRUFBRE-BZSNNMDCSA-N 1 1 285.387 2.631 20 30 CFEDMO C=C(CC)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805797072 628937545 /nfs/dbraw/zinc/93/75/45/628937545.db2.gz JZJYHHALVQGIHY-STQMWFEESA-N 1 1 268.401 2.940 20 30 CFEDMO C=CCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805803919 628948779 /nfs/dbraw/zinc/94/87/79/628948779.db2.gz JYZMXIZZZXVSAC-STQMWFEESA-N 1 1 268.401 2.940 20 30 CFEDMO C=CCC[N@H+](C)Cc1cc2c(C)nn(C)c2nc1Cl ZINC000786435992 628956539 /nfs/dbraw/zinc/95/65/39/628956539.db2.gz KAGDTRKLNUUULO-UHFFFAOYSA-N 1 1 278.787 2.938 20 30 CFEDMO C=CCC[N@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000786577670 628969361 /nfs/dbraw/zinc/96/93/61/628969361.db2.gz CIEVIJQQHOWNEQ-UHFFFAOYSA-N 1 1 278.371 2.670 20 30 CFEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000786579883 628969947 /nfs/dbraw/zinc/96/99/47/628969947.db2.gz VCWKEWMZTKBCRU-ZDUSSCGKSA-N 1 1 268.401 2.894 20 30 CFEDMO C=CCCCOC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000786816529 628980268 /nfs/dbraw/zinc/98/02/68/628980268.db2.gz YMSFMICSMLOFON-UHFFFAOYSA-N 1 1 273.376 2.944 20 30 CFEDMO C=CCCC[N@H+](C)Cc1cc(Br)nn1C ZINC000787175656 628997445 /nfs/dbraw/zinc/99/74/45/628997445.db2.gz JHKXDIHXVRMMJL-UHFFFAOYSA-N 1 1 272.190 2.581 20 30 CFEDMO C=CC[N@@H+](CN1C[C@H](CC(C)(C)C)CC1=O)C1CC1 ZINC000787224776 628999736 /nfs/dbraw/zinc/99/97/36/628999736.db2.gz CINCISRDOYSZNY-ZDUSSCGKSA-N 1 1 264.413 2.879 20 30 CFEDMO C=CC[N@H+](CN1C[C@H](CC(C)(C)C)CC1=O)C1CC1 ZINC000787224776 628999739 /nfs/dbraw/zinc/99/97/39/628999739.db2.gz CINCISRDOYSZNY-ZDUSSCGKSA-N 1 1 264.413 2.879 20 30 CFEDMO C#CC[N@@H+](CC#CC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000787405696 629011336 /nfs/dbraw/zinc/01/13/36/629011336.db2.gz HFLZPGVMVHSMMP-NTCAYCPXSA-N 1 1 282.343 2.957 20 30 CFEDMO C#CC[N@H+](CC#CC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000787405696 629011339 /nfs/dbraw/zinc/01/13/39/629011339.db2.gz HFLZPGVMVHSMMP-NTCAYCPXSA-N 1 1 282.343 2.957 20 30 CFEDMO C#CCC1(C(=O)NCC[N@H+](C)[C@@H](C)CC)CCCCC1 ZINC000788198543 629049711 /nfs/dbraw/zinc/04/97/11/629049711.db2.gz AHQUBZMHUYKGTD-HNNXBMFYSA-N 1 1 278.440 2.807 20 30 CFEDMO C#CCC1(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)CCCCC1 ZINC000788512588 629076856 /nfs/dbraw/zinc/07/68/56/629076856.db2.gz YUZFVVUZWSLLHE-HNNXBMFYSA-N 1 1 276.424 2.513 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(N(C)C)c2)n1 ZINC000789332220 629148043 /nfs/dbraw/zinc/14/80/43/629148043.db2.gz OLMXDZJVJROZMA-UHFFFAOYSA-N 1 1 296.418 2.604 20 30 CFEDMO C#CCn1ccc(C[N@H+](CC)Cc2cccc(N(C)C)c2)n1 ZINC000789332220 629148044 /nfs/dbraw/zinc/14/80/44/629148044.db2.gz 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C[C@@]1(C2CC2)C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000852323436 634722604 /nfs/dbraw/zinc/72/26/04/634722604.db2.gz ITAKRKSBIYPNEC-KRWDZBQOSA-N 1 1 286.375 2.590 20 30 CFEDMO C#C[C@@H](CCC)NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000791200768 629292598 /nfs/dbraw/zinc/29/25/98/629292598.db2.gz AXWDKZKUYMQAFM-INIZCTEOSA-N 1 1 299.418 2.525 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000852348284 634727849 /nfs/dbraw/zinc/72/78/49/634727849.db2.gz IFGXSXMLKWYTKQ-AWEZNQCLSA-N 1 1 272.392 2.751 20 30 CFEDMO C=CC[N@@H+](C[C@@H](O)c1c(F)cccc1F)[C@H](C)COC ZINC000852357804 634732070 /nfs/dbraw/zinc/73/20/70/634732070.db2.gz HWPBLFHXHQXGKF-BXUZGUMPSA-N 1 1 285.334 2.521 20 30 CFEDMO CCCCCCCCC[N@H+]1CCn2cnnc2C1 ZINC000792224381 629412559 /nfs/dbraw/zinc/41/25/59/629412559.db2.gz KVZIWQABGWCWAT-UHFFFAOYSA-N 1 1 250.390 2.844 20 30 CFEDMO C#CC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000792306002 629418985 /nfs/dbraw/zinc/41/89/85/629418985.db2.gz PPBIXFACOZNULL-CABCVRRESA-N 1 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/nfs/dbraw/zinc/74/00/44/634740044.db2.gz BEFDCMLSNRPMPC-KGLIPLIRSA-N 1 1 279.380 2.510 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](C[C@H]2CC(C(=O)OC)=C(C)O2)C1 ZINC000852408821 634740055 /nfs/dbraw/zinc/74/00/55/634740055.db2.gz BEFDCMLSNRPMPC-ZIAGYGMSSA-N 1 1 279.380 2.510 20 30 CFEDMO CC[C@H](C)CO[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000793145430 629492167 /nfs/dbraw/zinc/49/21/67/629492167.db2.gz JIJFCQWYJRJYAC-LBPRGKRZSA-N 1 1 282.409 2.981 20 30 CFEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1cccc(Cl)n1 ZINC000793163389 629495732 /nfs/dbraw/zinc/49/57/32/629495732.db2.gz JPCAPJLFIQEQPE-SECBINFHSA-N 1 1 264.760 2.617 20 30 CFEDMO CC[N@H+]1CCC(N=Nc2cccc(Cl)n2)[C@@H](C)C1 ZINC000793163717 629495881 /nfs/dbraw/zinc/49/58/81/629495881.db2.gz MNYYZMVOXWMYMU-JTQLQIEISA-N 1 1 266.776 2.865 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000793213362 629505925 /nfs/dbraw/zinc/50/59/25/629505925.db2.gz AAFKHEYHMUPSMH-KBXCAEBGSA-N 1 1 285.387 2.698 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000793213362 629505927 /nfs/dbraw/zinc/50/59/27/629505927.db2.gz AAFKHEYHMUPSMH-KBXCAEBGSA-N 1 1 285.387 2.698 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2cccnc2F)cc1 ZINC000793289806 629522061 /nfs/dbraw/zinc/52/20/61/629522061.db2.gz OLZBWOYTCIUUOZ-LBPRGKRZSA-N 1 1 285.322 2.801 20 30 CFEDMO CCCCCCCC[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852432220 634745898 /nfs/dbraw/zinc/74/58/98/634745898.db2.gz JGFNKLXUGFRYDD-CQSZACIVSA-N 1 1 268.401 2.873 20 30 CFEDMO CC[N@@H+](CCC1CC1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793512309 629558619 /nfs/dbraw/zinc/55/86/19/629558619.db2.gz QMZWDRSNWJWYFH-UHFFFAOYSA-N 1 1 299.418 2.678 20 30 CFEDMO C=CCCCCC[C@H](C)[NH2+][C@@H](C)CN1CCN(C)CC1 ZINC000793522928 629560865 /nfs/dbraw/zinc/56/08/65/629560865.db2.gz BZEGQCIPBZPKGI-IRXDYDNUSA-N 1 1 281.488 2.737 20 30 CFEDMO Cc1cc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)n(C)n1 ZINC000793542592 629567310 /nfs/dbraw/zinc/56/73/10/629567310.db2.gz VRRODRIBRKETQZ-NSHDSACASA-N 1 1 272.327 2.590 20 30 CFEDMO C=CCCCCC[C@H](C)[NH2+]CCc1n[nH]c(C)n1 ZINC000793555013 629570621 /nfs/dbraw/zinc/57/06/21/629570621.db2.gz SONNCBXTAKIJDB-LBPRGKRZSA-N 1 1 250.390 2.770 20 30 CFEDMO C=CCCCCC[C@H](C)[NH2+]CCc1nnc(C)[nH]1 ZINC000793555013 629570626 /nfs/dbraw/zinc/57/06/26/629570626.db2.gz SONNCBXTAKIJDB-LBPRGKRZSA-N 1 1 250.390 2.770 20 30 CFEDMO C=C(Cl)C[NH2+][C@@H](COC)c1cccc(OC)c1 ZINC000852444031 634748247 /nfs/dbraw/zinc/74/82/47/634748247.db2.gz RHJXPGRZGRUWGV-ZDUSSCGKSA-N 1 1 255.745 2.725 20 30 CFEDMO C=C(Cl)C[NH2+][C@H](COC)c1cccc(OC)c1 ZINC000852444029 634748982 /nfs/dbraw/zinc/74/89/82/634748982.db2.gz RHJXPGRZGRUWGV-CYBMUJFWSA-N 1 1 255.745 2.725 20 30 CFEDMO CCCC[NH+](CCCC)Cn1nc(CC#N)n(C)c1=S ZINC000794620472 629669588 /nfs/dbraw/zinc/66/95/88/629669588.db2.gz OKCXTKKOWLVQDS-UHFFFAOYSA-N 1 1 295.456 2.877 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccccc1)CN1CCCC1=O ZINC000794651527 629671643 /nfs/dbraw/zinc/67/16/43/629671643.db2.gz UTBYIAXHXHMJQV-UHFFFAOYSA-N 1 1 258.365 2.645 20 30 CFEDMO C=C(C)C[N@H+](Cc1ccccc1)CN1CCCC1=O ZINC000794651527 629671646 /nfs/dbraw/zinc/67/16/46/629671646.db2.gz UTBYIAXHXHMJQV-UHFFFAOYSA-N 1 1 258.365 2.645 20 30 CFEDMO Brc1cscc1C=NNc1cc[nH+]cc1 ZINC000794928222 629705717 /nfs/dbraw/zinc/70/57/17/629705717.db2.gz UHXGMXOMFIATNL-UHFFFAOYSA-N 1 1 282.166 2.774 20 30 CFEDMO c1ccc2c(c1)CC1(CCOCC1)C2=NNc1cc[nH+]cc1 ZINC000794927460 629705742 /nfs/dbraw/zinc/70/57/42/629705742.db2.gz NPGYEPJSZHTGJF-UHFFFAOYSA-N 1 1 293.370 2.673 20 30 CFEDMO C=CCNN=C1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000795004234 629721644 /nfs/dbraw/zinc/72/16/44/629721644.db2.gz YWKQQTJQUPSUHD-CQSZACIVSA-N 1 1 257.381 2.660 20 30 CFEDMO C=CCNN=C1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000795004234 629721649 /nfs/dbraw/zinc/72/16/49/629721649.db2.gz YWKQQTJQUPSUHD-CQSZACIVSA-N 1 1 257.381 2.660 20 30 CFEDMO C=C(C)CCO[NH+]=C(N)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000795210748 629745877 /nfs/dbraw/zinc/74/58/77/629745877.db2.gz VPCSJJJDHKLAPI-LBPRGKRZSA-N 1 1 299.415 2.954 20 30 CFEDMO C#CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1nc(C)no1 ZINC000795331006 629761480 /nfs/dbraw/zinc/76/14/80/629761480.db2.gz CJTQEMGOUFRDLX-DOMZBBRYSA-N 1 1 269.348 2.663 20 30 CFEDMO C#CC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1nc(CC)no1 ZINC000795329463 629762063 /nfs/dbraw/zinc/76/20/63/629762063.db2.gz PVDYGWQSWMUKIG-UKRRQHHQSA-N 1 1 283.375 2.917 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC000852497579 634761921 /nfs/dbraw/zinc/76/19/21/634761921.db2.gz WZCPIDSHAPTUJQ-AVGNSLFASA-N 1 1 271.788 2.793 20 30 CFEDMO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000796198641 629888219 /nfs/dbraw/zinc/88/82/19/629888219.db2.gz DSISPXMTTYAKCV-LPHOPBHVSA-N 1 1 298.430 2.568 20 30 CFEDMO N#Cc1ccc([C@@H](O)C[N@@H+](CC2CC2)C2CCC2)cc1 ZINC000796576313 629937252 /nfs/dbraw/zinc/93/72/52/629937252.db2.gz BHRVFGFXQWYVEG-KRWDZBQOSA-N 1 1 270.376 2.856 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)Cc1ccccc1 ZINC000796639467 629943764 /nfs/dbraw/zinc/94/37/64/629943764.db2.gz MUYPRZCRZOWZKV-LJQANCHMSA-N 1 1 279.383 2.725 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccccc1F ZINC000796640026 629944651 /nfs/dbraw/zinc/94/46/51/629944651.db2.gz UNQVYFHNWVVIAN-GOSISDBHSA-N 1 1 283.346 2.995 20 30 CFEDMO N#Cc1ccc(C[NH2+][C@H]2CCCc3n[nH]cc32)c(F)c1 ZINC000796761510 629961815 /nfs/dbraw/zinc/96/18/15/629961815.db2.gz FZSVFQPQARCKJT-AWEZNQCLSA-N 1 1 270.311 2.588 20 30 CFEDMO C=CCC[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccco1 ZINC000796832408 629975329 /nfs/dbraw/zinc/97/53/29/629975329.db2.gz OUPKIUUPNMTWEE-CQSZACIVSA-N 1 1 297.420 2.701 20 30 CFEDMO C=CCOC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000796837864 629976614 /nfs/dbraw/zinc/97/66/14/629976614.db2.gz DOXKLEURDYVJMJ-AWEZNQCLSA-N 1 1 295.329 2.873 20 30 CFEDMO C=CC[N@@H+](CCS(=O)(=O)Cc1ccccc1)C(C)(C)C ZINC000852554905 634778745 /nfs/dbraw/zinc/77/87/45/634778745.db2.gz YKJAFEQXMVMKQH-UHFFFAOYSA-N 1 1 295.448 2.888 20 30 CFEDMO C=CC[N@H+](CCS(=O)(=O)Cc1ccccc1)C(C)(C)C ZINC000852554905 634778750 /nfs/dbraw/zinc/77/87/50/634778750.db2.gz YKJAFEQXMVMKQH-UHFFFAOYSA-N 1 1 295.448 2.888 20 30 CFEDMO C#C[C@H](NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000798513564 630198562 /nfs/dbraw/zinc/19/85/62/630198562.db2.gz GJZVORCQISFCGT-HOTGVXAUSA-N 1 1 293.455 2.598 20 30 CFEDMO COc1cc(C[NH2+]Cc2cc(C#N)ccc2F)ccc1C#N ZINC000799338669 630300916 /nfs/dbraw/zinc/30/09/16/630300916.db2.gz WXMURDWVCXXQGZ-UHFFFAOYSA-N 1 1 295.317 2.867 20 30 CFEDMO O=C1C=C([NH2+]Nc2cccc(Cl)c2)[C@H]2CCCN12 ZINC000799465673 630311075 /nfs/dbraw/zinc/31/10/75/630311075.db2.gz MJLNEUYYYXRIOX-GFCCVEGCSA-N 1 1 263.728 2.503 20 30 CFEDMO O=C1C=C([NH2+]Nc2ccc(C(F)(F)F)cc2)[C@H]2CCCN12 ZINC000799483928 630313433 /nfs/dbraw/zinc/31/34/33/630313433.db2.gz XODFXYGAPYUXHG-GFCCVEGCSA-N 1 1 297.280 2.868 20 30 CFEDMO CC(C[C@@H](C)CC(C)C)=NNCCC[NH+]1CCOCC1 ZINC000799489761 630314520 /nfs/dbraw/zinc/31/45/20/630314520.db2.gz BDDKPSIXROOJEP-HNNXBMFYSA-N 1 1 283.460 2.747 20 30 CFEDMO CC(C)CC[C@@H]1CCCC1=NNCCC[NH+]1CCOCC1 ZINC000799488144 630314663 /nfs/dbraw/zinc/31/46/63/630314663.db2.gz OAHWPRUEOUAHNK-INIZCTEOSA-N 1 1 295.471 2.891 20 30 CFEDMO CCc1cccc(C)c1N[NH+]=Cc1cccnc1N ZINC000799493786 630315190 /nfs/dbraw/zinc/31/51/90/630315190.db2.gz PMXMVSYBFQBTBQ-UHFFFAOYSA-N 1 1 254.337 2.981 20 30 CFEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)c(C#N)c2)C1 ZINC000799648276 630327629 /nfs/dbraw/zinc/32/76/29/630327629.db2.gz IRHKOXXQNUMNJV-OAHLLOKOSA-N 1 1 299.418 2.671 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000852681221 634804673 /nfs/dbraw/zinc/80/46/73/634804673.db2.gz FHQAWTXVAFRJEB-HNNXBMFYSA-N 1 1 266.429 2.901 20 30 CFEDMO C#CC[N@H+](Cc1ccc(C#N)c(OC)c1)C1CCCC1 ZINC000799733461 630341352 /nfs/dbraw/zinc/34/13/52/630341352.db2.gz KVTCHDMNVCXUEB-UHFFFAOYSA-N 1 1 268.360 2.945 20 30 CFEDMO C=C[C@H](CO)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000852714606 634812099 /nfs/dbraw/zinc/81/20/99/634812099.db2.gz VVMSYRCWKOCKDH-SECBINFHSA-N 1 1 291.134 2.538 20 30 CFEDMO 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CCO[C@@H]1C[C@@H]([N@@H+](C)CCO[C@H](C)C#N)C1(CC)CC ZINC000801933609 630490726 /nfs/dbraw/zinc/49/07/26/630490726.db2.gz AZIMTFAOKDEJBU-RBSFLKMASA-N 1 1 282.428 2.831 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000843092484 630531967 /nfs/dbraw/zinc/53/19/67/630531967.db2.gz KETBGNNRPSALAD-IINYFYTJSA-N 1 1 295.745 2.546 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)CN1CC[C@@H](C)C1=O ZINC000839977333 630539104 /nfs/dbraw/zinc/53/91/04/630539104.db2.gz WCKFUQZKLICTBX-OAHLLOKOSA-N 1 1 272.392 2.543 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)CN1CC[C@@H](C)C1=O ZINC000839977333 630539108 /nfs/dbraw/zinc/53/91/08/630539108.db2.gz WCKFUQZKLICTBX-OAHLLOKOSA-N 1 1 272.392 2.543 20 30 CFEDMO C=CCN1CCN(C[N@@H+]2C[C@H](c3ccccc3)C[C@@H]2C)C1=O ZINC000839998427 630607905 /nfs/dbraw/zinc/60/79/05/630607905.db2.gz QPMKGCGLQQOEAZ-DOTOQJQBSA-N 1 1 299.418 2.746 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)OCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000803785739 630644313 /nfs/dbraw/zinc/64/43/13/630644313.db2.gz 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ZINC000837411690 631023853 /nfs/dbraw/zinc/02/38/53/631023853.db2.gz XMBWTWCHIFKFOG-OAHLLOKOSA-N 1 1 286.419 2.673 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000837419051 631024391 /nfs/dbraw/zinc/02/43/91/631024391.db2.gz IOXWAWHSIKZDMA-WBVHZDCISA-N 1 1 288.435 2.513 20 30 CFEDMO C[C@@H]1C[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000837464857 631038031 /nfs/dbraw/zinc/03/80/31/631038031.db2.gz LMKFXLFITFCFJI-NVXWUHKLSA-N 1 1 298.430 2.815 20 30 CFEDMO CCCCCCCCCC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000808752129 631043484 /nfs/dbraw/zinc/04/34/84/631043484.db2.gz ZNURVUYXVCGQPT-JKSUJKDBSA-N 1 1 271.445 2.802 20 30 CFEDMO CCC[N@H+](CCO[C@H](C)C#N)CCN1CCCCCC1 ZINC000808781465 631047493 /nfs/dbraw/zinc/04/74/93/631047493.db2.gz HONYVOQMWFZWGV-MRXNPFEDSA-N 1 1 281.444 2.503 20 30 CFEDMO CCC[N@@H+](CCO[C@H](C)C#N)CCN1CCCCCC1 ZINC000808781465 631047495 /nfs/dbraw/zinc/04/74/95/631047495.db2.gz HONYVOQMWFZWGV-MRXNPFEDSA-N 1 1 281.444 2.503 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C#CC(C)(C)C ZINC000837531942 631057271 /nfs/dbraw/zinc/05/72/71/631057271.db2.gz JPFBDJQIGLVVEZ-NVXWUHKLSA-N 1 1 298.430 2.673 20 30 CFEDMO CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C#CC1CC1 ZINC000837538372 631060010 /nfs/dbraw/zinc/06/00/10/631060010.db2.gz PKLBQFBFGFMGNH-SFHVURJKSA-N 1 1 298.430 2.673 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)[C@]1(C#N)CC12CCCC2 ZINC000837907607 631150372 /nfs/dbraw/zinc/15/03/72/631150372.db2.gz QHRADIHPCCMQEN-RHSMWYFYSA-N 1 1 290.407 2.878 20 30 CFEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC000840726676 631176927 /nfs/dbraw/zinc/17/69/27/631176927.db2.gz BFKRWHMRAVDSBG-HIFRSBDPSA-N 1 1 298.390 2.952 20 30 CFEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ccn(C)n2)c1 ZINC000840726678 631176954 /nfs/dbraw/zinc/17/69/54/631176954.db2.gz BFKRWHMRAVDSBG-UKRRQHHQSA-N 1 1 298.390 2.952 20 30 CFEDMO CC[C@H](C#N)Oc1cccc(C[NH2+][C@@H](C)c2ccn(C)n2)c1 ZINC000840726674 631177123 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/nfs/dbraw/zinc/38/56/85/637385685.db2.gz CVXLSBYRLDOKIX-SNVBAGLBSA-N 1 1 253.267 2.949 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](CC2=Cc3ccccc3OC2)C1 ZINC000862444713 637385937 /nfs/dbraw/zinc/38/59/37/637385937.db2.gz FWLFQMJFFFTDQO-CQSZACIVSA-N 1 1 253.345 2.808 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000862444777 637386033 /nfs/dbraw/zinc/38/60/33/637386033.db2.gz HBGHTASFJUYLTR-LLVKDONJSA-N 1 1 294.192 3.000 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000862444777 637386039 /nfs/dbraw/zinc/38/60/39/637386039.db2.gz HBGHTASFJUYLTR-LLVKDONJSA-N 1 1 294.192 3.000 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000862445299 637386667 /nfs/dbraw/zinc/38/66/67/637386667.db2.gz QCVSAIPYZQETBR-TZMCWYRMSA-N 1 1 276.405 2.840 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000862445187 637387357 /nfs/dbraw/zinc/38/73/57/637387357.db2.gz NTDYRQFNLUQOJE-LBPRGKRZSA-N 1 1 273.767 2.833 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000862448090 637389167 /nfs/dbraw/zinc/38/91/67/637389167.db2.gz WTCHQSJQMNTXMO-IRXDYDNUSA-N 1 1 298.430 2.757 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000862448361 637389495 /nfs/dbraw/zinc/38/94/95/637389495.db2.gz XSDVXDAEWUWKAO-AWEZNQCLSA-N 1 1 283.375 2.834 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2c(F)cncc2Br)C1 ZINC000862447980 637389638 /nfs/dbraw/zinc/38/96/38/637389638.db2.gz TVNQVOKHLOUTGS-SNVBAGLBSA-N 1 1 297.171 2.828 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2c(F)cncc2Br)C1 ZINC000862447980 637389643 /nfs/dbraw/zinc/38/96/43/637389643.db2.gz TVNQVOKHLOUTGS-SNVBAGLBSA-N 1 1 297.171 2.828 20 30 CFEDMO CCCCCCCC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000188725078 650343282 /nfs/dbraw/zinc/34/32/82/650343282.db2.gz RFNCSOKGXPUEGM-OAHLLOKOSA-N 1 1 298.471 2.651 20 30 CFEDMO C=C(C)C[N@H+](C)CN1CC[C@](C)(c2ccccc2)C1=O ZINC000188719268 650343626 /nfs/dbraw/zinc/34/36/26/650343626.db2.gz ALGUBYUEKMHWFV-QGZVFWFLSA-N 1 1 272.392 2.642 20 30 CFEDMO C=C(C)C[N@@H+](C)CN1CC[C@](C)(c2ccccc2)C1=O ZINC000188719268 650343631 /nfs/dbraw/zinc/34/36/31/650343631.db2.gz ALGUBYUEKMHWFV-QGZVFWFLSA-N 1 1 272.392 2.642 20 30 CFEDMO C[N@H+]1CCC(N=Nc2ncnc3ccsc32)CC1(C)C ZINC000863103239 637554893 /nfs/dbraw/zinc/55/48/93/637554893.db2.gz QWGBFGLCWLFUCI-UHFFFAOYSA-N 1 1 289.408 2.963 20 30 CFEDMO CC(=NNc1ccncc1C)c1cccc(C[NH+](C)C)c1 ZINC000863158366 637573144 /nfs/dbraw/zinc/57/31/44/637573144.db2.gz YXUHSXDEGGKPSD-UHFFFAOYSA-N 1 1 282.391 2.710 20 30 CFEDMO C[N@H+]1CCCC(N=Nc2ccnc(C(F)(F)F)c2)CC1 ZINC000863180700 637580920 /nfs/dbraw/zinc/58/09/20/637580920.db2.gz HMVZAVMCIFURTN-UHFFFAOYSA-N 1 1 286.301 2.984 20 30 CFEDMO C=CCc1cc(C[N@@H+](C)CC2(C)COC2)c(O)c(OC)c1 ZINC000863298951 637620863 /nfs/dbraw/zinc/62/08/63/637620863.db2.gz QGKPKRJICPUVMO-UHFFFAOYSA-N 1 1 291.391 2.598 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000076016905 650360113 /nfs/dbraw/zinc/36/01/13/650360113.db2.gz FGIYZQSXRQFXIB-CYBMUJFWSA-N 1 1 268.401 2.894 20 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CFEDMO COc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C#N ZINC000865860792 638621549 /nfs/dbraw/zinc/62/15/49/638621549.db2.gz XVOATTDNKAMWNS-CABCVRRESA-N 1 1 271.364 2.606 20 30 CFEDMO CCC[N@H+]1CC[C@@H](Nc2cc(C(F)(F)F)cc(C#N)n2)C1 ZINC000865949001 638672686 /nfs/dbraw/zinc/67/26/86/638672686.db2.gz JYNGLPQZRGFUTK-LLVKDONJSA-N 1 1 298.312 2.868 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3ccc4cc(C#N)ccc4n3)CC[C@H]21 ZINC000866205100 638769984 /nfs/dbraw/zinc/76/99/84/638769984.db2.gz KAHOKLKFDMTHOL-DOTOQJQBSA-N 1 1 292.386 2.637 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3ccc(Cl)cc3C#N)CC[C@@H]21 ZINC000866206887 638770331 /nfs/dbraw/zinc/77/03/31/638770331.db2.gz UNCCHDPAHZBIKX-FZMZJTMJSA-N 1 1 275.783 2.742 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3nc(C(C)(C)C)ccc3C#N)CC[C@H]21 ZINC000866208544 638771071 /nfs/dbraw/zinc/77/10/71/638771071.db2.gz NMFLGOREFSKDHU-LSDHHAIUSA-N 1 1 298.434 2.781 20 30 CFEDMO COc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)ccn1 ZINC000866225888 638774002 /nfs/dbraw/zinc/77/40/02/638774002.db2.gz FBMPTKDRNPIPRZ-NSHDSACASA-N 1 1 283.331 2.518 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cccc(C#N)c1O ZINC000866227703 638774207 /nfs/dbraw/zinc/77/42/07/638774207.db2.gz BQQCYUBJKDABGJ-GFCCVEGCSA-N 1 1 296.374 2.576 20 30 CFEDMO CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866240768 638777830 /nfs/dbraw/zinc/77/78/30/638777830.db2.gz MXOWORAYVASSGI-KGLIPLIRSA-N 1 1 287.407 2.646 20 30 CFEDMO C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cccc(C#N)c1O ZINC000866386635 638811231 /nfs/dbraw/zinc/81/12/31/638811231.db2.gz CZVBHVBRGHMXMJ-NVGVWMPQSA-N 1 1 294.354 2.573 20 30 CFEDMO CC(C)(C)N1CCC([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000866617644 638855656 /nfs/dbraw/zinc/85/56/56/638855656.db2.gz MZABOUKNMCJORJ-SFHVURJKSA-N 1 1 297.446 2.878 20 30 CFEDMO CC(C)(C)[C@@]1(CN)CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000866706417 638869137 /nfs/dbraw/zinc/86/91/37/638869137.db2.gz ICEIZMWHDAYZAJ-GOSISDBHSA-N 1 1 285.435 2.798 20 30 CFEDMO CC(C)(C)[C@@]1(CN)CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000866706417 638869138 /nfs/dbraw/zinc/86/91/38/638869138.db2.gz ICEIZMWHDAYZAJ-GOSISDBHSA-N 1 1 285.435 2.798 20 30 CFEDMO C#CC[N@H+](Cc1ccc(C#N)cc1OC)C1CCCC1 ZINC000121203667 638874064 /nfs/dbraw/zinc/87/40/64/638874064.db2.gz RPYBTQPHRCIIBG-UHFFFAOYSA-N 1 1 268.360 2.945 20 30 CFEDMO C=C[C@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000868394091 638942512 /nfs/dbraw/zinc/94/25/12/638942512.db2.gz WKQATCNEMCCQHH-ZFWWWQNUSA-N 1 1 279.428 2.657 20 30 CFEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)c1sccc1CC#N ZINC000868470142 638948136 /nfs/dbraw/zinc/94/81/36/638948136.db2.gz VRXAQWPMYMUDDA-LBPRGKRZSA-N 1 1 293.436 2.664 20 30 CFEDMO CC(C)C#CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000869802150 639408605 /nfs/dbraw/zinc/40/86/05/639408605.db2.gz QCQFHBLJBAFKNO-SJLPKXTDSA-N 1 1 298.430 2.530 20 30 CFEDMO Cc1[nH+]ccn1CCCOC(=O)c1sccc1CC#N ZINC000870043477 639508307 /nfs/dbraw/zinc/50/83/07/639508307.db2.gz SLOJWJSNVULDHK-UHFFFAOYSA-N 1 1 289.360 2.566 20 30 CFEDMO C#CCCCC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000870123572 639521645 /nfs/dbraw/zinc/52/16/45/639521645.db2.gz QQCFIPZFNWZQIB-MRXNPFEDSA-N 1 1 284.403 2.695 20 30 CFEDMO C#CCCCC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000191938520 650531293 /nfs/dbraw/zinc/53/12/93/650531293.db2.gz ATGHWICEKYHZEC-IYBDPMFKSA-N 1 1 278.440 2.664 20 30 CFEDMO CN(CCC#N)c1ccc(C[NH2+]Cc2nccs2)cc1 ZINC000079751664 650617362 /nfs/dbraw/zinc/61/73/62/650617362.db2.gz DRCZVJTXJLHICJ-UHFFFAOYSA-N 1 1 286.404 2.783 20 30 CFEDMO C=CCCO[C@H](C)C(=O)O[C@H](C)C[C@H]1CCCC[N@H+]1C ZINC000870788105 641070564 /nfs/dbraw/zinc/07/05/64/641070564.db2.gz FCSRGPPLRRBYMQ-RBSFLKMASA-N 1 1 283.412 2.774 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001018018547 651263861 /nfs/dbraw/zinc/26/38/61/651263861.db2.gz GTHRIWFYMWTVKU-KFWWJZLASA-N 1 1 264.413 2.530 20 30 CFEDMO CCC[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000123545712 641262320 /nfs/dbraw/zinc/26/23/20/641262320.db2.gz AKJGZQIVBNYZON-HNNXBMFYSA-N 1 1 287.407 2.972 20 30 CFEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C(C)C ZINC001018018547 651263859 /nfs/dbraw/zinc/26/38/59/651263859.db2.gz GTHRIWFYMWTVKU-KFWWJZLASA-N 1 1 264.413 2.530 20 30 CFEDMO CC(C)[C@H](C(=O)[C@@H](C#N)c1ccccn1)[NH+]1CCCCC1 ZINC000123829432 641482179 /nfs/dbraw/zinc/48/21/79/641482179.db2.gz FWIKMBKVTROWIP-GOEBONIOSA-N 1 1 285.391 2.768 20 30 CFEDMO CC(C)[C@@H](C(=O)[C@H](C#N)c1ccccn1)[NH+]1CCCCC1 ZINC000123829655 641482262 /nfs/dbraw/zinc/48/22/62/641482262.db2.gz FWIKMBKVTROWIP-ZBFHGGJFSA-N 1 1 285.391 2.768 20 30 CFEDMO CCCCC(N)=[NH+]OCc1nc(C)c2ccccc2n1 ZINC000193586829 650671808 /nfs/dbraw/zinc/67/18/08/650671808.db2.gz DCORNFSXGBWSDV-UHFFFAOYSA-N 1 1 272.352 2.917 20 30 CFEDMO C[C@H]([NH2+]CCCC#N)c1c(F)cccc1[N+](=O)[O-] ZINC000872060759 641593565 /nfs/dbraw/zinc/59/35/65/641593565.db2.gz SQYFWBVMZKUJPZ-VIFPVBQESA-N 1 1 251.261 2.688 20 30 CFEDMO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000872130403 641657646 /nfs/dbraw/zinc/65/76/46/641657646.db2.gz HMNIDAZDEPFWES-CMPLNLGQSA-N 1 1 282.347 2.774 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ncccc2SC)no1 ZINC000872179381 641695410 /nfs/dbraw/zinc/69/54/10/641695410.db2.gz ASBCCDAJTYTEPY-QMMMGPOBSA-N 1 1 296.783 2.996 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(C)c(C)n2)no1 ZINC000872183156 641697063 /nfs/dbraw/zinc/69/70/63/641697063.db2.gz BBERKZOFTHVEGP-JTQLQIEISA-N 1 1 278.743 2.891 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000872254430 641718790 /nfs/dbraw/zinc/71/87/90/641718790.db2.gz CXJVTAVYZFOFCB-HNNXBMFYSA-N 1 1 295.329 2.555 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000872254430 641718797 /nfs/dbraw/zinc/71/87/97/641718797.db2.gz CXJVTAVYZFOFCB-HNNXBMFYSA-N 1 1 295.329 2.555 20 30 CFEDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2cc(C#N)ccc2F)[C@@H]1O ZINC000872254945 641719059 /nfs/dbraw/zinc/71/90/59/641719059.db2.gz GNXPXTBARLXFMJ-IMJJTQAJSA-N 1 1 288.366 2.679 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872254431 641719263 /nfs/dbraw/zinc/71/92/63/641719263.db2.gz CXJVTAVYZFOFCB-OAHLLOKOSA-N 1 1 295.329 2.555 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000872254431 641719268 /nfs/dbraw/zinc/71/92/68/641719268.db2.gz CXJVTAVYZFOFCB-OAHLLOKOSA-N 1 1 295.329 2.555 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCO[C@H](C(F)F)CC2)cc1 ZINC000872256889 641721554 /nfs/dbraw/zinc/72/15/54/641721554.db2.gz DXLDZATZKCLPHT-AWEZNQCLSA-N 1 1 265.303 2.524 20 30 CFEDMO CCCCCCCC[N@H+]1CCOC[C@@]12CCOC2 ZINC000193713828 650688411 /nfs/dbraw/zinc/68/84/11/650688411.db2.gz JRTRCJWQPKOVMV-HNNXBMFYSA-N 1 1 255.402 2.838 20 30 CFEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872282121 641739673 /nfs/dbraw/zinc/73/96/73/641739673.db2.gz BMJHIFPHFUBXNU-QGZVFWFLSA-N 1 1 285.391 2.877 20 30 CFEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872282121 641739680 /nfs/dbraw/zinc/73/96/80/641739680.db2.gz BMJHIFPHFUBXNU-QGZVFWFLSA-N 1 1 285.391 2.877 20 30 CFEDMO CC(CCc1cncc2ccccc21)=NN1CC[NH+](C)CC1 ZINC000872325165 641756680 /nfs/dbraw/zinc/75/66/80/641756680.db2.gz FOKGTUXHUPMZKL-UHFFFAOYSA-N 1 1 296.418 2.791 20 30 CFEDMO C[C@H]1C(N=Nc2ccc(C(F)(F)F)cn2)CC[N@H+]1C ZINC000872327815 641757769 /nfs/dbraw/zinc/75/77/69/641757769.db2.gz KXSVMRPIKHZYDJ-QMMMGPOBSA-N 1 1 272.274 2.592 20 30 CFEDMO C[C@@H]1C(N=Nc2ncnc3c4ccccc4oc32)CC[N@H+]1C ZINC000872337340 641758112 /nfs/dbraw/zinc/75/81/12/641758112.db2.gz ALZCVZQLLXTMQZ-SNVBAGLBSA-N 1 1 295.346 2.868 20 30 CFEDMO C[C@H]1C(N=Nc2ncnc3c4ccccc4oc32)CC[N@H+]1C ZINC000872337339 641758210 /nfs/dbraw/zinc/75/82/10/641758210.db2.gz ALZCVZQLLXTMQZ-JTQLQIEISA-N 1 1 295.346 2.868 20 30 CFEDMO C[C@H]1C(N=Nc2ccc(C#N)c(Cl)c2)CC[N@H+]1C ZINC000872365465 641771013 /nfs/dbraw/zinc/77/10/13/641771013.db2.gz SCXUKPHAUUKAEW-VIFPVBQESA-N 1 1 262.744 2.704 20 30 CFEDMO C[C@H]1CC(N=Nc2nc3ccncc3s2)C[N@@H+]1C1CC1 ZINC000872412463 641800154 /nfs/dbraw/zinc/80/01/54/641800154.db2.gz HBFOIDIDUCMSEL-VIFPVBQESA-N 1 1 287.392 2.716 20 30 CFEDMO C[C@H]1CC(N=Nc2nc3ccncc3s2)C[N@H+]1C1CC1 ZINC000872412463 641800163 /nfs/dbraw/zinc/80/01/63/641800163.db2.gz HBFOIDIDUCMSEL-VIFPVBQESA-N 1 1 287.392 2.716 20 30 CFEDMO CSc1nnc(SC)n1[NH+]=C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000872418124 641803356 /nfs/dbraw/zinc/80/33/56/641803356.db2.gz CAVLLCTVDFCQQN-BBBLOLIVSA-N 1 1 282.438 2.992 20 30 CFEDMO CSc1nnc(SC)n1[NH+]=CCCC1CC1 ZINC000872417707 641803763 /nfs/dbraw/zinc/80/37/63/641803763.db2.gz LCODKELPDKHTDP-UHFFFAOYSA-N 1 1 256.400 2.746 20 30 CFEDMO C[N@H+](CCc1cccc(C#N)c1)CN1C(=O)CC12CCCC2 ZINC000872705544 641905682 /nfs/dbraw/zinc/90/56/82/641905682.db2.gz STESMZYVEDWYBC-UHFFFAOYSA-N 1 1 297.402 2.535 20 30 CFEDMO C[N@@H+](CCc1cccc(C#N)c1)CN1C(=O)CC12CCCC2 ZINC000872705544 641905687 /nfs/dbraw/zinc/90/56/87/641905687.db2.gz STESMZYVEDWYBC-UHFFFAOYSA-N 1 1 297.402 2.535 20 30 CFEDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1cc(C#N)nc2ccccc21 ZINC000872778462 641932651 /nfs/dbraw/zinc/93/26/51/641932651.db2.gz AMDCXYMJAIERLQ-SJORKVTESA-N 1 1 292.386 2.779 20 30 CFEDMO CC(C)(C)[C@@]1(C[NH3+])CCN(Cc2cccc(C#N)c2)C1 ZINC000873223108 642077105 /nfs/dbraw/zinc/07/71/05/642077105.db2.gz HUUFQCTXCGEMFC-QGZVFWFLSA-N 1 1 271.408 2.755 20 30 CFEDMO CC(C)[C@H](C(=O)OCc1ccc(C#N)o1)[NH+]1CCCCC1 ZINC000873360979 642153416 /nfs/dbraw/zinc/15/34/16/642153416.db2.gz QHIJXBKADZKPIA-OAHLLOKOSA-N 1 1 290.363 2.705 20 30 CFEDMO C#CC[N@H+](CCc1ccc(C)cc1)C[C@H]1CCCO1 ZINC000124993244 642378385 /nfs/dbraw/zinc/37/83/85/642378385.db2.gz GUJFONIPVBNSIM-QGZVFWFLSA-N 1 1 257.377 2.652 20 30 CFEDMO CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C#N)c(F)cc1C ZINC000874900772 642546885 /nfs/dbraw/zinc/54/68/85/642546885.db2.gz ULGSDKDZUHMOSH-OAHLLOKOSA-N 1 1 289.354 2.819 20 30 CFEDMO Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000874901306 642547113 /nfs/dbraw/zinc/54/71/13/642547113.db2.gz MMVBJEBFFBSRBD-OAHLLOKOSA-N 1 1 287.338 2.571 20 30 CFEDMO Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000874901306 642547118 /nfs/dbraw/zinc/54/71/18/642547118.db2.gz MMVBJEBFFBSRBD-OAHLLOKOSA-N 1 1 287.338 2.571 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000125544465 642667715 /nfs/dbraw/zinc/66/77/15/642667715.db2.gz QYSOIHYMAOPCMU-DZGCQCFKSA-N 1 1 274.364 2.588 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)CCO1 ZINC000125544465 642667720 /nfs/dbraw/zinc/66/77/20/642667720.db2.gz QYSOIHYMAOPCMU-DZGCQCFKSA-N 1 1 274.364 2.588 20 30 CFEDMO COc1ccccc1OCC[N@H+](CCC#N)CC(C)C ZINC000084439305 650774311 /nfs/dbraw/zinc/77/43/11/650774311.db2.gz KRNMHDPVWUMDRM-UHFFFAOYSA-N 1 1 276.380 2.946 20 30 CFEDMO COc1ccccc1OCC[N@@H+](CCC#N)CC(C)C ZINC000084439305 650774312 /nfs/dbraw/zinc/77/43/12/650774312.db2.gz KRNMHDPVWUMDRM-UHFFFAOYSA-N 1 1 276.380 2.946 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000876320141 642822787 /nfs/dbraw/zinc/82/27/87/642822787.db2.gz BPAUKCOPXZBZFE-CABCVRRESA-N 1 1 295.471 2.960 20 30 CFEDMO Cc1noc(C)c1C[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000876611490 642944565 /nfs/dbraw/zinc/94/45/65/642944565.db2.gz HGHZOTRGEGKYGZ-UHFFFAOYSA-N 1 1 298.390 2.861 20 30 CFEDMO Cc1noc(C)c1C[N@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000876611490 642944569 /nfs/dbraw/zinc/94/45/69/642944569.db2.gz HGHZOTRGEGKYGZ-UHFFFAOYSA-N 1 1 298.390 2.861 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000876628008 642949957 /nfs/dbraw/zinc/94/99/57/642949957.db2.gz WJPZIBBHIWYNJR-KBPBESRZSA-N 1 1 260.385 2.539 20 30 CFEDMO N#CC1CC[NH+](Cc2ccc(C(F)F)nc2)CC1 ZINC000876653560 642959602 /nfs/dbraw/zinc/95/96/02/642959602.db2.gz OIKKXDMLNJXFNN-UHFFFAOYSA-N 1 1 251.280 2.755 20 30 CFEDMO Cc1cccc2c1CC[N@H+](Cc1cccc(C#N)n1)C2 ZINC000876694936 642978224 /nfs/dbraw/zinc/97/82/24/642978224.db2.gz PSNVJIHQNKPLSY-UHFFFAOYSA-N 1 1 263.344 2.820 20 30 CFEDMO Cc1cccc2c1CC[N@@H+](Cc1cccc(C#N)n1)C2 ZINC000876694936 642978226 /nfs/dbraw/zinc/97/82/26/642978226.db2.gz PSNVJIHQNKPLSY-UHFFFAOYSA-N 1 1 263.344 2.820 20 30 CFEDMO CC[N@H+](Cc1cc(C#N)ccc1N(C)C)CC1CC1 ZINC000876731071 642986235 /nfs/dbraw/zinc/98/62/35/642986235.db2.gz DMIRUALHRYKWMH-UHFFFAOYSA-N 1 1 257.381 2.856 20 30 CFEDMO C#CCCCCCC[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000876766448 643002653 /nfs/dbraw/zinc/00/26/53/643002653.db2.gz KIVVMUPALNHIAJ-UHFFFAOYSA-N 1 1 260.385 2.568 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CC[C@H]2Cc2ccccc2)n1 ZINC000876773558 643004117 /nfs/dbraw/zinc/00/41/17/643004117.db2.gz ABJDQTSAKCKLGW-KRWDZBQOSA-N 1 1 263.344 2.770 20 30 CFEDMO C#CC[N@H+](Cc1cccn(C(F)F)c1=O)C1CCCC1 ZINC000876784497 643007515 /nfs/dbraw/zinc/00/75/15/643007515.db2.gz FTPTZFBBRLRGGK-UHFFFAOYSA-N 1 1 280.318 2.621 20 30 CFEDMO C#CC[N@H+](Cc1cnc(CCOC)s1)C1CCCC1 ZINC000876784726 643007616 /nfs/dbraw/zinc/00/76/16/643007616.db2.gz MZNOGIVVSBXLMA-UHFFFAOYSA-N 1 1 278.421 2.710 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCC[C@H]1c1nncn1C ZINC000876782687 643008224 /nfs/dbraw/zinc/00/82/24/643008224.db2.gz YXMGYIMDPYJCLK-AWEZNQCLSA-N 1 1 260.385 2.536 20 30 CFEDMO N#CC1CCC([NH2+]Cc2nc(-c3ccccc3)n[nH]2)CC1 ZINC000877150486 643179322 /nfs/dbraw/zinc/17/93/22/643179322.db2.gz UFSBODLDEFEYIW-UHFFFAOYSA-N 1 1 281.363 2.644 20 30 CFEDMO C[N@H+](CCc1ccncc1)Cc1cc(C#N)cnc1Cl ZINC000877318427 643236030 /nfs/dbraw/zinc/23/60/30/643236030.db2.gz BLDJHFDXBXGZHD-UHFFFAOYSA-N 1 1 286.766 2.676 20 30 CFEDMO C[N@@H+](CCc1ccncc1)Cc1cc(C#N)cnc1Cl ZINC000877318427 643236038 /nfs/dbraw/zinc/23/60/38/643236038.db2.gz BLDJHFDXBXGZHD-UHFFFAOYSA-N 1 1 286.766 2.676 20 30 CFEDMO C#CC[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000877371493 643249098 /nfs/dbraw/zinc/24/90/98/643249098.db2.gz HWNTVPPJPGMCDC-OAHLLOKOSA-N 1 1 254.377 2.611 20 30 CFEDMO CC[C@]1(C)C[N@H+](Cc2cc(C#N)ccc2N(C)C)CCO1 ZINC000877466146 643286656 /nfs/dbraw/zinc/28/66/56/643286656.db2.gz ZFIKQGDBRWEVPV-QGZVFWFLSA-N 1 1 287.407 2.625 20 30 CFEDMO CC[C@]1(C)C[N@@H+](Cc2cc(C#N)ccc2N(C)C)CCO1 ZINC000877466146 643286658 /nfs/dbraw/zinc/28/66/58/643286658.db2.gz ZFIKQGDBRWEVPV-QGZVFWFLSA-N 1 1 287.407 2.625 20 30 CFEDMO CSCCC[N@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877501357 643312792 /nfs/dbraw/zinc/31/27/92/643312792.db2.gz OFDDDQJRIMALIQ-UHFFFAOYSA-N 1 1 269.801 2.792 20 30 CFEDMO CSCCC[N@@H+](C)Cc1cc(C#N)cnc1Cl ZINC000877501357 643312796 /nfs/dbraw/zinc/31/27/96/643312796.db2.gz OFDDDQJRIMALIQ-UHFFFAOYSA-N 1 1 269.801 2.792 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cccnc1Br)C(C)C ZINC000877512922 643320238 /nfs/dbraw/zinc/32/02/38/643320238.db2.gz GCMNCVSNNSEMNV-LLVKDONJSA-N 1 1 267.170 2.592 20 30 CFEDMO C#CCCCCCC[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000877528552 643332934 /nfs/dbraw/zinc/33/29/34/643332934.db2.gz DOBVIFDURGGROW-OAHLLOKOSA-N 1 1 259.397 2.793 20 30 CFEDMO CCC[C@@]1(CO)CC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877537071 643339483 /nfs/dbraw/zinc/33/94/83/643339483.db2.gz GVWNDZPEGLHKAE-OAHLLOKOSA-N 1 1 293.798 2.591 20 30 CFEDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000877537071 643339490 /nfs/dbraw/zinc/33/94/90/643339490.db2.gz GVWNDZPEGLHKAE-OAHLLOKOSA-N 1 1 293.798 2.591 20 30 CFEDMO C#CCCCCCC[N@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000877548900 643349172 /nfs/dbraw/zinc/34/91/72/643349172.db2.gz WHKRCBQVVCNWEJ-CYBMUJFWSA-N 1 1 251.370 2.596 20 30 CFEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)[C@H](CO)CC(C)(C)C ZINC000877570686 643368637 /nfs/dbraw/zinc/36/86/37/643368637.db2.gz MTNXFBPRZHXBTI-ZDUSSCGKSA-N 1 1 295.814 2.836 20 30 CFEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)[C@H](CO)CC(C)(C)C ZINC000877570686 643368638 /nfs/dbraw/zinc/36/86/38/643368638.db2.gz MTNXFBPRZHXBTI-ZDUSSCGKSA-N 1 1 295.814 2.836 20 30 CFEDMO C#CCCCCCC[N@H+](CCO)C1CCSCC1 ZINC000877572038 643369907 /nfs/dbraw/zinc/36/99/07/643369907.db2.gz ADIORAUXAHFUBS-UHFFFAOYSA-N 1 1 269.454 2.760 20 30 CFEDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2cc(C#N)cnc2Cl)C1 ZINC000877575852 643374515 /nfs/dbraw/zinc/37/45/15/643374515.db2.gz ATUDXRWHMCVBKD-AWEZNQCLSA-N 1 1 292.814 2.521 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@H](CO)C(C)(C)C)cc1 ZINC000245773515 650834651 /nfs/dbraw/zinc/83/46/51/650834651.db2.gz SGJBGRMLHPZDLG-XJKSGUPXSA-N 1 1 290.407 2.816 20 30 CFEDMO N#CC1(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CCC1 ZINC000877594994 643387884 /nfs/dbraw/zinc/38/78/84/643387884.db2.gz PBQGPIOAVVMXLF-UHFFFAOYSA-N 1 1 297.402 2.706 20 30 CFEDMO CC[C@H](C)[C@H](C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1)OC ZINC000877610429 643396799 /nfs/dbraw/zinc/39/67/99/643396799.db2.gz VMRXQIIRNPNLDN-JQFCIGGWSA-N 1 1 290.407 2.585 20 30 CFEDMO Cc1cccc(O)c1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000877610746 643398481 /nfs/dbraw/zinc/39/84/81/643398481.db2.gz YBRMGZLUIVGYFH-GOSISDBHSA-N 1 1 296.370 2.738 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](Cc2ccc(Cl)nn2)C1 ZINC000877624100 643410313 /nfs/dbraw/zinc/41/03/13/643410313.db2.gz JPYUWBBETXSSCX-NSHDSACASA-N 1 1 251.761 2.918 20 30 CFEDMO COc1cnc(F)c(C[N@H+](C)CCc2cccc(C#N)c2)c1 ZINC000877704499 643470518 /nfs/dbraw/zinc/47/05/18/643470518.db2.gz JOVSNPFRIPORSD-UHFFFAOYSA-N 1 1 299.349 2.775 20 30 CFEDMO COc1cnc(F)c(C[N@@H+](C)CCc2cccc(C#N)c2)c1 ZINC000877704499 643470523 /nfs/dbraw/zinc/47/05/23/643470523.db2.gz JOVSNPFRIPORSD-UHFFFAOYSA-N 1 1 299.349 2.775 20 30 CFEDMO CCC[C@H](C[N@@H+](C)CCc1cccc(C#N)c1)OC ZINC000877704842 643472345 /nfs/dbraw/zinc/47/23/45/643472345.db2.gz NTBBCKICRDYCOI-MRXNPFEDSA-N 1 1 260.381 2.848 20 30 CFEDMO CCC[C@@H](C[N@@H+](C)CCc1cccc(C#N)c1)OC ZINC000877704840 643472595 /nfs/dbraw/zinc/47/25/95/643472595.db2.gz NTBBCKICRDYCOI-INIZCTEOSA-N 1 1 260.381 2.848 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000877716904 643476360 /nfs/dbraw/zinc/47/63/60/643476360.db2.gz POFGLPGDWAQTPI-WDEREUQCSA-N 1 1 264.291 2.579 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC000877716904 643476364 /nfs/dbraw/zinc/47/63/64/643476364.db2.gz POFGLPGDWAQTPI-WDEREUQCSA-N 1 1 264.291 2.579 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CC[C@H]3CSC[C@H]3C2)cc1 ZINC000877738288 643501398 /nfs/dbraw/zinc/50/13/98/643501398.db2.gz NJNPKYXRZZPKKX-JKSUJKDBSA-N 1 1 257.402 2.853 20 30 CFEDMO C=CCOc1cccc(CN2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000877743355 643520701 /nfs/dbraw/zinc/52/07/01/643520701.db2.gz 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FWWHEPGBJBKCFD-QGZVFWFLSA-N 1 1 299.418 2.669 20 30 CFEDMO Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)cc1C#N ZINC000886597498 647060296 /nfs/dbraw/zinc/06/02/96/647060296.db2.gz FWWHEPGBJBKCFD-QGZVFWFLSA-N 1 1 299.418 2.669 20 30 CFEDMO Cc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCCO3)C2)cc1C#N ZINC000886815817 647149412 /nfs/dbraw/zinc/14/94/12/647149412.db2.gz KFHRKLXBWMFYGK-RDJZCZTQSA-N 1 1 270.376 2.868 20 30 CFEDMO Cc1cc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)ccc1C#N ZINC000886818109 647151024 /nfs/dbraw/zinc/15/10/24/647151024.db2.gz ALQSMNWGIJSXNK-SJORKVTESA-N 1 1 270.376 2.868 20 30 CFEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000886821712 647152808 /nfs/dbraw/zinc/15/28/08/647152808.db2.gz GHYUVJMTEZESEC-NVXWUHKLSA-N 1 1 273.351 2.678 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886830316 647155565 /nfs/dbraw/zinc/15/55/65/647155565.db2.gz PCLCQLUDMOFLBK-KBPBESRZSA-N 1 1 250.386 2.817 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@H]([C@H]3CCCO3)C2)c(F)c1 ZINC000886837912 647158411 /nfs/dbraw/zinc/15/84/11/647158411.db2.gz OVJRQPFUQDFGLR-GOEBONIOSA-N 1 1 274.339 2.698 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)c(F)c1 ZINC000886837914 647158740 /nfs/dbraw/zinc/15/87/40/647158740.db2.gz OVJRQPFUQDFGLR-ZBFHGGJFSA-N 1 1 274.339 2.698 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1CC1(O)CCCCC1 ZINC000887034960 647193338 /nfs/dbraw/zinc/19/33/38/647193338.db2.gz CMMBTOHJSYDVBS-CVEARBPZSA-N 1 1 294.439 2.855 20 30 CFEDMO C[N@@H+](CCc1ccc2c(c1)OCO2)[C@@H]1CC[C@@H](C#N)C1 ZINC000887095573 647210360 /nfs/dbraw/zinc/21/03/60/647210360.db2.gz QJVAFTKKMLUBKB-ZIAGYGMSSA-N 1 1 272.348 2.582 20 30 CFEDMO Cn1cc(C[N@@H+](C)CCCF)c(-c2ccc(C#N)cc2)n1 ZINC000887141125 647228332 /nfs/dbraw/zinc/22/83/32/647228332.db2.gz HBFRUKSABDJOLO-UHFFFAOYSA-N 1 1 286.354 2.750 20 30 CFEDMO Cc1cc(C#N)ccc1COC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000889656942 647632969 /nfs/dbraw/zinc/63/29/69/647632969.db2.gz OKJHDFZWLJONQN-ZFWWWQNUSA-N 1 1 286.375 2.640 20 30 CFEDMO C=CC[C@H](N[C@H]1C[C@@H]([NH3+])C12CCC2)c1ccncc1 ZINC000925498118 647856560 /nfs/dbraw/zinc/85/65/60/647856560.db2.gz MJXRBENDIRIFLF-ZNMIVQPWSA-N 1 1 257.381 2.558 20 30 CFEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCc1ccc(F)cc1C#N ZINC000923890903 647906005 /nfs/dbraw/zinc/90/60/05/647906005.db2.gz BEIHFGUCRLANPX-HNNXBMFYSA-N 1 1 290.338 2.613 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCc1ccc(F)cc1C#N ZINC000923890903 647906010 /nfs/dbraw/zinc/90/60/10/647906010.db2.gz BEIHFGUCRLANPX-HNNXBMFYSA-N 1 1 290.338 2.613 20 30 CFEDMO C=C(C)COCC[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000925532855 648203266 /nfs/dbraw/zinc/20/32/66/648203266.db2.gz VJVDIPCLKCREJQ-GFCCVEGCSA-N 1 1 250.342 2.543 20 30 CFEDMO C=C(C)COCCNC1CC[NH+](CCC(C)C)CC1 ZINC000925533242 648204808 /nfs/dbraw/zinc/20/48/08/648204808.db2.gz ZNTVQYARHLTQGA-UHFFFAOYSA-N 1 1 268.445 2.679 20 30 CFEDMO CC[C@@H]([NH2+]Cc1cnn(C)c1C)c1cccc(C#N)c1O ZINC000925647515 648260624 /nfs/dbraw/zinc/26/06/24/648260624.db2.gz DAHZODGKMYFVTC-OAHLLOKOSA-N 1 1 284.363 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/nfs/dbraw/zinc/44/16/66/648441666.db2.gz MCVMVUHNYNVYIC-CQSZACIVSA-N 1 1 294.402 2.866 20 30 CFEDMO C[C@@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1cn(C)cn1 ZINC000926315416 648460857 /nfs/dbraw/zinc/46/08/57/648460857.db2.gz JZBMTWXFYHNLBR-ABAIWWIYSA-N 1 1 266.348 2.630 20 30 CFEDMO C[C@H](CC(C)(C)C#N)NCC[N@@H+]1CCCC1(C)C ZINC000926554070 648530885 /nfs/dbraw/zinc/53/08/85/648530885.db2.gz BUFOAFZPPAHSFR-CYBMUJFWSA-N 1 1 251.418 2.779 20 30 CFEDMO C[C@H](CC(C)(C)C#N)NCC[N@H+]1CCCC1(C)C ZINC000926554070 648530886 /nfs/dbraw/zinc/53/08/86/648530886.db2.gz BUFOAFZPPAHSFR-CYBMUJFWSA-N 1 1 251.418 2.779 20 30 CFEDMO C=CCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000926665976 648566967 /nfs/dbraw/zinc/56/69/67/648566967.db2.gz OBTRURNQZKKZMK-ALOPSCKCSA-N 1 1 280.456 2.964 20 30 CFEDMO Cn1nc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cc1C1CC1 ZINC000927108528 648713935 /nfs/dbraw/zinc/71/39/35/648713935.db2.gz RBZUMQSSFBDDSN-KRWDZBQOSA-N 1 1 292.386 2.946 20 30 CFEDMO C[C@@H]([NH2+]Cc1nc2c(s1)COCC2)c1cccc(C#N)c1 ZINC000927122973 648720650 /nfs/dbraw/zinc/72/06/50/648720650.db2.gz YHKGQWSUIDCRMR-LLVKDONJSA-N 1 1 299.399 2.938 20 30 CFEDMO CCc1onc(C)c1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000927134443 648723926 /nfs/dbraw/zinc/72/39/26/648723926.db2.gz KUQNJEIIDQSLIY-SNVBAGLBSA-N 1 1 285.347 2.974 20 30 CFEDMO C=CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000928439034 648911075 /nfs/dbraw/zinc/91/10/75/648911075.db2.gz GYOASBCEXJKTEG-KBMXLJTQSA-N 1 1 272.392 2.555 20 30 CFEDMO C=CCC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000928445130 648912429 /nfs/dbraw/zinc/91/24/29/648912429.db2.gz XDCVBQAGUFDUKI-HYVNUMGLSA-N 1 1 286.419 2.945 20 30 CFEDMO C=CC[N@H+](CCc1nnc(C)o1)Cc1ccccc1 ZINC000929162175 648992313 /nfs/dbraw/zinc/99/23/13/648992313.db2.gz ITOXEBLTEWIITA-UHFFFAOYSA-N 1 1 257.337 2.609 20 30 CFEDMO CC[C@H](C)[C@@H](C(=O)OC)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000929162226 648992566 /nfs/dbraw/zinc/99/25/66/648992566.db2.gz JCAVUOOCQJGSOV-WFASDCNBSA-N 1 1 274.364 2.578 20 30 CFEDMO CC[C@H](C)[C@@H](C(=O)OC)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000929162226 648992568 /nfs/dbraw/zinc/99/25/68/648992568.db2.gz JCAVUOOCQJGSOV-WFASDCNBSA-N 1 1 274.364 2.578 20 30 CFEDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1CC1CCC(C#N)CC1 ZINC000929271534 649020102 /nfs/dbraw/zinc/02/01/02/649020102.db2.gz SXZWIWAETQNLIP-VXGQWTEUSA-N 1 1 250.386 2.816 20 30 CFEDMO C=CC[N@@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)C(C)C ZINC000929293567 649026506 /nfs/dbraw/zinc/02/65/06/649026506.db2.gz YBDRHVCYMWGLJF-QWRGUYRKSA-N 1 1 251.292 2.993 20 30 CFEDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929361009 649038502 /nfs/dbraw/zinc/03/85/02/649038502.db2.gz USTWLKLWEHEUQY-GPANFISMSA-N 1 1 291.439 2.649 20 30 CFEDMO N#CC1(CCCC[N@H+]2CCC[C@@H](C3OCCO3)C2)CCC1 ZINC000929494834 649060650 /nfs/dbraw/zinc/06/06/50/649060650.db2.gz SIPPMGKQOARFDR-OAHLLOKOSA-N 1 1 292.423 2.935 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000929596242 649074733 /nfs/dbraw/zinc/07/47/33/649074733.db2.gz 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/nfs/dbraw/zinc/11/82/07/649118207.db2.gz GUQLFIMRSLGRED-NEPJUHHUSA-N 1 1 276.302 2.722 20 30 CFEDMO N#CCC[N@@H+](CC1CC1)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929774971 649118209 /nfs/dbraw/zinc/11/82/09/649118209.db2.gz GUQLFIMRSLGRED-NEPJUHHUSA-N 1 1 276.302 2.722 20 30 CFEDMO N#Cc1cncc(C[N@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000929816156 649129135 /nfs/dbraw/zinc/12/91/35/649129135.db2.gz UBCKKZOMTMMGRU-QGZVFWFLSA-N 1 1 263.344 2.770 20 30 CFEDMO C[C@@H](CC#N)[N@@H+](C)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000929830600 649133864 /nfs/dbraw/zinc/13/38/64/649133864.db2.gz ICNSJYFXDZMZJU-HZSPNIEDSA-N 1 1 295.427 2.723 20 30 CFEDMO C[C@H]1[N@@H+](CC2CCC(C#N)CC2)CCOC1(C)C ZINC000929843803 649137745 /nfs/dbraw/zinc/13/77/45/649137745.db2.gz XSCUSRKJVMYTGJ-IYXRBSQSSA-N 1 1 250.386 2.816 20 30 CFEDMO N#Cc1cncc(C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000930008424 649165410 /nfs/dbraw/zinc/16/54/10/649165410.db2.gz ILJOCYZOUZHGFK-UHFFFAOYSA-N 1 1 284.388 2.969 20 30 CFEDMO CCC1(CC)[C@H]([N@@H+](C)Cc2cncc(C#N)c2)C[C@@H]1OC ZINC000930035397 649171482 /nfs/dbraw/zinc/17/14/82/649171482.db2.gz LZSOWSLOTTVBNY-CVEARBPZSA-N 1 1 287.407 2.979 20 30 CFEDMO C[C@H](O)[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930062791 649176512 /nfs/dbraw/zinc/17/65/12/649176512.db2.gz YPGKUZYAXGEBIA-GJZGRUSLSA-N 1 1 264.413 2.943 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCOC[C@H]1C ZINC000930068241 649178261 /nfs/dbraw/zinc/17/82/61/649178261.db2.gz RNJMGRJSJJSQCL-CQSZACIVSA-N 1 1 258.365 2.786 20 30 CFEDMO CC(=O)OC1CC[NH+](Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000930080137 649180172 /nfs/dbraw/zinc/18/01/72/649180172.db2.gz NDVMQZIJHSDWAW-UHFFFAOYSA-N 1 1 292.766 2.739 20 30 CFEDMO C[N@@H+](Cc1cc(Cl)cc(C#N)c1)CC1(O)CCCC1 ZINC000930081340 649180330 /nfs/dbraw/zinc/18/03/30/649180330.db2.gz KWFOWFGQGMOHAF-UHFFFAOYSA-N 1 1 278.783 2.949 20 30 CFEDMO N#CC1CCC(C[N@H+]2CCOCC23CCCC3)CC1 ZINC000930133548 649191799 /nfs/dbraw/zinc/19/17/99/649191799.db2.gz KESIEIYHUXJICO-UHFFFAOYSA-N 1 1 262.397 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276.424 2.674 20 30 CFEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001017674499 651255768 /nfs/dbraw/zinc/25/57/68/651255768.db2.gz DGQJYKOLTDFNLN-UUAJXVIYSA-N 1 1 288.435 2.674 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001017674499 651255770 /nfs/dbraw/zinc/25/57/70/651255770.db2.gz DGQJYKOLTDFNLN-UUAJXVIYSA-N 1 1 288.435 2.674 20 30 CFEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC1(C)C ZINC001017813383 651258314 /nfs/dbraw/zinc/25/83/14/651258314.db2.gz BSAMVLKWTMNFQE-ZNMIVQPWSA-N 1 1 276.424 2.674 20 30 CFEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC1(C)C ZINC001017813383 651258315 /nfs/dbraw/zinc/25/83/15/651258315.db2.gz BSAMVLKWTMNFQE-ZNMIVQPWSA-N 1 1 276.424 2.674 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC2(CCC2)C1 ZINC001017823582 651258846 /nfs/dbraw/zinc/25/88/46/651258846.db2.gz ZZDDCHSPTRDFIK-IYBDPMFKSA-N 1 1 288.435 2.818 20 30 CFEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CC1 ZINC001017830411 651258972 /nfs/dbraw/zinc/25/89/72/651258972.db2.gz IHGQTXJVZUKWPR-GASCZTMLSA-N 1 1 276.424 2.674 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)C1CC1 ZINC001017830411 651258974 /nfs/dbraw/zinc/25/89/74/651258974.db2.gz IHGQTXJVZUKWPR-GASCZTMLSA-N 1 1 276.424 2.674 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C(F)F)CCC1 ZINC001017845358 651259437 /nfs/dbraw/zinc/25/94/37/651259437.db2.gz ZXRNXTGWNBIKJU-BETUJISGSA-N 1 1 298.377 2.673 20 30 CFEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H](F)C1 ZINC001017856568 651259458 /nfs/dbraw/zinc/25/94/58/651259458.db2.gz TWXIMUJEWPSBDQ-YHUYYLMFSA-N 1 1 294.414 2.766 20 30 CFEDMO CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(C)(C)C1 ZINC001017840597 651259688 /nfs/dbraw/zinc/25/96/88/651259688.db2.gz GDTKHWJMARHAHM-IYBDPMFKSA-N 1 1 288.435 2.511 20 30 CFEDMO CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC(C)(C)C1 ZINC001017840597 651259689 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ZINC001033707121 780756200 /nfs/dbraw/zinc/75/62/00/780756200.db2.gz KDZLITVMAGYMJI-CQSZACIVSA-N 1 1 290.382 2.857 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccccc2C)C1 ZINC001033734494 780769292 /nfs/dbraw/zinc/76/92/92/780769292.db2.gz QPLCGVOTJDPNLY-MRXNPFEDSA-N 1 1 284.403 2.555 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cccc(C)c2)C1 ZINC001033737400 780769790 /nfs/dbraw/zinc/76/97/90/780769790.db2.gz OKYJELGVLIZSPC-QGZVFWFLSA-N 1 1 284.403 2.555 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC=CCC2)C1 ZINC001033753020 780773363 /nfs/dbraw/zinc/77/33/63/780773363.db2.gz OKILQEWXSNQHGZ-HZPDHXFCSA-N 1 1 276.424 2.842 20 30 CFEDMO C[N@@H+]1CC=C(c2nc3c(cc2C#N)CCCC3)CC1 ZINC001241312523 780774223 /nfs/dbraw/zinc/77/42/23/780774223.db2.gz DMNTYMBMDLLFFH-UHFFFAOYSA-N 1 1 253.349 2.551 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc(C)nc2)C1 ZINC001033747397 780775717 /nfs/dbraw/zinc/77/57/17/780775717.db2.gz ODQCJAKIMHPACQ-MRXNPFEDSA-N 1 1 287.407 2.503 20 30 CFEDMO 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C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001034083541 780885855 /nfs/dbraw/zinc/88/58/55/780885855.db2.gz DNKGNROQZBGREX-CQSZACIVSA-N 1 1 276.380 2.748 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001034092474 780888502 /nfs/dbraw/zinc/88/85/02/780888502.db2.gz UYAKGOBSVVAQFF-MRXNPFEDSA-N 1 1 272.392 2.765 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)c2ccsc2)C1 ZINC001034096400 780890930 /nfs/dbraw/zinc/89/09/30/780890930.db2.gz CRBOAAXMAGOTID-AWEZNQCLSA-N 1 1 278.421 2.909 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001034095087 780891163 /nfs/dbraw/zinc/89/11/63/780891163.db2.gz JTROBRSGXGDHEM-HOTGVXAUSA-N 1 1 276.424 2.890 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001034101490 780893849 /nfs/dbraw/zinc/89/38/49/780893849.db2.gz MCLFGASSYJZSSW-NSHDSACASA-N 1 1 282.771 2.703 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2scnc2C)C1 ZINC001034121100 780896731 /nfs/dbraw/zinc/89/67/31/780896731.db2.gz HRNFOAHFGWZRGT-ZDUSSCGKSA-N 1 1 293.436 2.612 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C2CC=CC2)C1 ZINC001034147020 780907699 /nfs/dbraw/zinc/90/76/99/780907699.db2.gz YOFLNTFNDKZNJY-AWEZNQCLSA-N 1 1 282.815 2.676 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C2CC=CC2)C1 ZINC001034147020 780907703 /nfs/dbraw/zinc/90/77/03/780907703.db2.gz YOFLNTFNDKZNJY-AWEZNQCLSA-N 1 1 282.815 2.676 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)C2C(C)(C)C2(C)C)C1 ZINC001034152393 780909405 /nfs/dbraw/zinc/90/94/05/780909405.db2.gz SKNNRYNTSWBJHK-CYBMUJFWSA-N 1 1 278.440 2.825 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001034172364 780915576 /nfs/dbraw/zinc/91/55/76/780915576.db2.gz DUSBVBDLZOPKIW-ZIAGYGMSSA-N 1 1 264.413 2.579 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)sn2)C1 ZINC001034187270 780916510 /nfs/dbraw/zinc/91/65/10/780916510.db2.gz ILJXJMGXCZYZBZ-CYBMUJFWSA-N 1 1 293.436 2.612 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2coc(C)n2)C1 ZINC001034183172 780916841 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C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C2(C)CC2)C1 ZINC001034224994 780929435 /nfs/dbraw/zinc/92/94/35/780929435.db2.gz CGPIQTARZAHHSB-GFCCVEGCSA-N 1 1 270.804 2.510 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001034263735 780933355 /nfs/dbraw/zinc/93/33/55/780933355.db2.gz BMAYPCATXGDPBW-SJORKVTESA-N 1 1 288.435 2.727 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001034251671 780934066 /nfs/dbraw/zinc/93/40/66/780934066.db2.gz YAHNVAPWFMEOIJ-INIZCTEOSA-N 1 1 290.451 2.951 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)Cc2ccccc2)C1 ZINC001034272919 780937251 /nfs/dbraw/zinc/93/72/51/780937251.db2.gz OGBUVHFCUPDKQJ-QGZVFWFLSA-N 1 1 286.419 2.776 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2cc3cnccc3o2)C1 ZINC001034298799 780940317 /nfs/dbraw/zinc/94/03/17/780940317.db2.gz ZXQSJFXVUOHONU-AWEZNQCLSA-N 1 1 299.374 2.598 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2ccn3ccccc23)C1 ZINC001034305387 780942939 /nfs/dbraw/zinc/94/29/39/780942939.db2.gz GSWNSWWVALMUER-HNNXBMFYSA-N 1 1 297.402 2.710 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001034327068 780945580 /nfs/dbraw/zinc/94/55/80/780945580.db2.gz FLNDYKXEGHUMSI-OAHLLOKOSA-N 1 1 276.424 2.723 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)C2(C)CCCC2)C1 ZINC001034332774 780947366 /nfs/dbraw/zinc/94/73/66/780947366.db2.gz LZVYJKVLRJTBRG-AWEZNQCLSA-N 1 1 264.413 2.723 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001034330097 780947599 /nfs/dbraw/zinc/94/75/99/780947599.db2.gz IMUQSVPENHRAQW-MRXNPFEDSA-N 1 1 290.451 2.807 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)C2(C)CCCC2)C1 ZINC001034332775 780947923 /nfs/dbraw/zinc/94/79/23/780947923.db2.gz LZVYJKVLRJTBRG-CQSZACIVSA-N 1 1 264.413 2.723 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1 ZINC001034356704 780950214 /nfs/dbraw/zinc/95/02/14/780950214.db2.gz ZJVXOFVTLFJQQW-CVEARBPZSA-N 1 1 290.451 2.807 20 30 CFEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC(F)(F)CC2)cc1 ZINC000702826440 780957181 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277.412 2.546 20 30 CFEDMO C#Cc1cccc(NC(=O)NCC[N@H+](C)[C@@H](C)CC)c1 ZINC000066197088 346750614 /nfs/dbraw/zinc/75/06/14/346750614.db2.gz VCHWMEPTYXGHNJ-ZDUSSCGKSA-N 1 1 273.380 2.520 20 30 CFEDMO C[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000076115494 347123407 /nfs/dbraw/zinc/12/34/07/347123407.db2.gz YCYURLHZOHUCKH-LLVKDONJSA-N 1 1 268.320 2.593 20 30 CFEDMO CC[N@H+](CCC#N)Cc1cc(Br)ccc1O ZINC000076118466 347123538 /nfs/dbraw/zinc/12/35/38/347123538.db2.gz LRGSTSMFIQQEEL-UHFFFAOYSA-N 1 1 283.169 2.890 20 30 CFEDMO CC[N@@H+](CCC#N)Cc1cc(Br)ccc1O ZINC000076118466 347123539 /nfs/dbraw/zinc/12/35/39/347123539.db2.gz LRGSTSMFIQQEEL-UHFFFAOYSA-N 1 1 283.169 2.890 20 30 CFEDMO C=C(Cl)CN1CC[NH+](CCc2cccs2)CC1 ZINC000067458802 346803176 /nfs/dbraw/zinc/80/31/76/346803176.db2.gz PQGREISOKNCBLR-UHFFFAOYSA-N 1 1 270.829 2.661 20 30 CFEDMO C[C@H]1CCC[N@@H+](CCCCNc2ccc(C#N)cn2)C1 ZINC000076795555 347154277 /nfs/dbraw/zinc/15/42/77/347154277.db2.gz VDHPGSLLZPFNIR-AWEZNQCLSA-N 1 1 272.396 2.877 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000078227444 347233027 /nfs/dbraw/zinc/23/30/27/347233027.db2.gz ZJZUBGVDZBPSBC-AWEZNQCLSA-N 1 1 258.365 2.913 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000078300602 347238800 /nfs/dbraw/zinc/23/88/00/347238800.db2.gz BSYGQPHFIDEACC-UHFFFAOYSA-N 1 1 278.783 2.633 20 30 CFEDMO C[C@@H](CNc1ncccc1C#N)[N@H+]1CCCC[C@@H]1C ZINC000079901286 347331297 /nfs/dbraw/zinc/33/12/97/347331297.db2.gz BEFYNRNXEADFAG-STQMWFEESA-N 1 1 258.369 2.628 20 30 CFEDMO C[C@H]1CCC[N@@H+](CCNc2snc(Cl)c2C#N)C1 ZINC000079914752 347331329 /nfs/dbraw/zinc/33/13/29/347331329.db2.gz SSXBNWYOZMXDMZ-VIFPVBQESA-N 1 1 284.816 2.812 20 30 CFEDMO CC[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1nccs1 ZINC000080279282 347352053 /nfs/dbraw/zinc/35/20/53/347352053.db2.gz APDXTHFUXJBOSP-GFCCVEGCSA-N 1 1 258.350 2.651 20 30 CFEDMO C#Cc1cccc(N(CC)C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)c1 ZINC000080639613 347371566 /nfs/dbraw/zinc/37/15/66/347371566.db2.gz RIYXTJYURATZJE-DLBZAZTESA-N 1 1 296.414 2.895 20 30 CFEDMO CC#CC[N@H+](Cc1ccccc1)C[C@@H](O)c1ccco1 ZINC000084134884 347457444 /nfs/dbraw/zinc/45/74/44/347457444.db2.gz JQBVFFDCHRYLPD-MRXNPFEDSA-N 1 1 269.344 2.839 20 30 CFEDMO CC(C)CCO[C@@H]1CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000083689102 347453742 /nfs/dbraw/zinc/45/37/42/347453742.db2.gz IKVPKFZCXPMAKJ-LSDHHAIUSA-N 1 1 263.385 2.567 20 30 CFEDMO CC(C)CCO[C@@H]1CC[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000083689102 347453748 /nfs/dbraw/zinc/45/37/48/347453748.db2.gz IKVPKFZCXPMAKJ-LSDHHAIUSA-N 1 1 263.385 2.567 20 30 CFEDMO N#CCC[N@@H+](C[C@@H](O)c1cccc(Cl)c1)CC1CC1 ZINC000081514664 347423350 /nfs/dbraw/zinc/42/33/50/347423350.db2.gz JCAIUQJXHJLTNK-OAHLLOKOSA-N 1 1 278.783 2.999 20 30 CFEDMO N#CCC[N@H+](C[C@@H](O)c1cccc(Cl)c1)CC1CC1 ZINC000081514664 347423352 /nfs/dbraw/zinc/42/33/52/347423352.db2.gz JCAIUQJXHJLTNK-OAHLLOKOSA-N 1 1 278.783 2.999 20 30 CFEDMO C[N@@H+](CC(C)(C)C)[C@H]1CCN(c2sccc2C#N)C1=O ZINC000083186088 347449421 /nfs/dbraw/zinc/44/94/21/347449421.db2.gz RUJXNUPCIIYLCU-LBPRGKRZSA-N 1 1 291.420 2.703 20 30 CFEDMO N#CCC1(C[NH+]2CCN(c3ccccc3F)CC2)CC1 ZINC000088259309 347500823 /nfs/dbraw/zinc/50/08/23/347500823.db2.gz AYDYLFSNIYYBBC-UHFFFAOYSA-N 1 1 273.355 2.642 20 30 CFEDMO C#CCCN1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000091480365 347589217 /nfs/dbraw/zinc/58/92/17/347589217.db2.gz USBIIVIEBMKWMO-UHFFFAOYSA-N 1 1 279.387 2.689 20 30 CFEDMO C[N@H+]1CCC[C@@H](CNc2ccc3cc(C#N)ccc3n2)C1 ZINC000091482688 347589851 /nfs/dbraw/zinc/58/98/51/347589851.db2.gz XXWSCJCVQVRGQY-AWEZNQCLSA-N 1 1 280.375 2.860 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000091508722 347591534 /nfs/dbraw/zinc/59/15/34/347591534.db2.gz AUPOZZIAFTTWNE-ZBFHGGJFSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CCCC[C@@H](C)[NH+]1CCC(N(C)CCCO)CC1 ZINC000091578149 347592938 /nfs/dbraw/zinc/59/29/38/347592938.db2.gz YVYNFFDMPUFLAF-OAHLLOKOSA-N 1 1 268.445 2.510 20 30 CFEDMO C[N@@H+](CCc1cccc(Nc2nccnc2C#N)c1)C1CC1 ZINC000091632274 347594795 /nfs/dbraw/zinc/59/47/95/347594795.db2.gz JIIQNDNAAUFQHK-UHFFFAOYSA-N 1 1 293.374 2.729 20 30 CFEDMO C[C@@H]1SCC[N@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1C ZINC000093500344 347677460 /nfs/dbraw/zinc/67/74/60/347677460.db2.gz SODLQEZKZSDXDJ-RYUDHWBXSA-N 1 1 286.404 2.532 20 30 CFEDMO C[C@@H]1SCC[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1C ZINC000093500344 347677463 /nfs/dbraw/zinc/67/74/63/347677463.db2.gz SODLQEZKZSDXDJ-RYUDHWBXSA-N 1 1 286.404 2.532 20 30 CFEDMO Cc1cnc([C@@H](C)[NH2+]Cc2ccnc(C#N)c2)s1 ZINC000124283266 347823610 /nfs/dbraw/zinc/82/36/10/347823610.db2.gz VXMQDURPZFKZKJ-SNVBAGLBSA-N 1 1 258.350 2.569 20 30 CFEDMO C=CCCCN(C)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000125742320 347828726 /nfs/dbraw/zinc/82/87/26/347828726.db2.gz VNJBFYITKPWEEQ-CABCVRRESA-N 1 1 281.444 2.714 20 30 CFEDMO C=CCCCN(C)C(=O)[C@H](C(C)C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000135665057 347908267 /nfs/dbraw/zinc/90/82/67/347908267.db2.gz LLGBOIPBNZLMSK-XHSDSOJGSA-N 1 1 296.455 2.545 20 30 CFEDMO C=CCCCN(C)C(=O)[C@H](C(C)C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000135665057 347908269 /nfs/dbraw/zinc/90/82/69/347908269.db2.gz LLGBOIPBNZLMSK-XHSDSOJGSA-N 1 1 296.455 2.545 20 30 CFEDMO CCCCCCCC(=O)NCCn1cc[nH+]c1C ZINC000138991348 347918031 /nfs/dbraw/zinc/91/80/31/347918031.db2.gz HUYNXXBMJZUAFE-UHFFFAOYSA-N 1 1 251.374 2.668 20 30 CFEDMO C=CCCCCC[NH+]1CCN(CC2CCOCC2)CC1 ZINC000193352564 348142344 /nfs/dbraw/zinc/14/23/44/348142344.db2.gz VSGNJXBNLNJMNN-UHFFFAOYSA-N 1 1 280.456 2.777 20 30 CFEDMO CC[N@@H+](CCCCC#N)CC(=O)Nc1c(F)cccc1F ZINC000198680857 348151250 /nfs/dbraw/zinc/15/12/50/348151250.db2.gz OYYRDVZJTXOXNU-UHFFFAOYSA-N 1 1 295.333 2.919 20 30 CFEDMO COc1ccc([C@H](CCO)[NH2+]Cc2ccccc2C#N)cc1 ZINC000128748708 187388302 /nfs/dbraw/zinc/38/83/02/187388302.db2.gz UTTUJGOIYWCBNZ-SFHVURJKSA-N 1 1 296.370 2.780 20 30 CFEDMO CC[C@H]1C[N@@H+](C)CCCN1c1cccc(F)c1C#N ZINC000234159294 348219374 /nfs/dbraw/zinc/21/93/74/348219374.db2.gz XGWJFYXBHCZTRJ-LBPRGKRZSA-N 1 1 261.344 2.618 20 30 CFEDMO C[C@H](C#N)C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000237369723 348239574 /nfs/dbraw/zinc/23/95/74/348239574.db2.gz JVBBZOQWGACHJB-SNVBAGLBSA-N 1 1 272.270 2.877 20 30 CFEDMO C=CCOc1cccc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c1 ZINC000668596242 539606970 /nfs/dbraw/zinc/60/69/70/539606970.db2.gz ZSHVEWODDBWOKU-RDJZCZTQSA-N 1 1 273.376 2.720 20 30 CFEDMO N#CC1(C[NH2+]Cc2cccc(Br)c2)CC1 ZINC000258869333 348307869 /nfs/dbraw/zinc/30/78/69/348307869.db2.gz HSSUUJXZAQJTFS-UHFFFAOYSA-N 1 1 265.154 2.842 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000285537430 348345797 /nfs/dbraw/zinc/34/57/97/348345797.db2.gz FSSKCYSEECTCJI-DOTOQJQBSA-N 1 1 299.418 2.832 20 30 CFEDMO N#C[C@H]1CC[C@@H]([N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1 ZINC000293540852 348362653 /nfs/dbraw/zinc/36/26/53/348362653.db2.gz KFGAHHCVWCKSEZ-SVGFKBNWSA-N 1 1 265.360 2.918 20 30 CFEDMO N#C[C@H]1CC[C@@H]([N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)C1 ZINC000293540852 348362657 /nfs/dbraw/zinc/36/26/57/348362657.db2.gz KFGAHHCVWCKSEZ-SVGFKBNWSA-N 1 1 265.360 2.918 20 30 CFEDMO C[C@H](CC#N)[NH2+]Cc1ccc(F)c(Br)c1 ZINC000308984767 348405590 /nfs/dbraw/zinc/40/55/90/348405590.db2.gz JHOLSKJKEYTIJN-MRVPVSSYSA-N 1 1 271.133 2.980 20 30 CFEDMO C[C@H](C#N)CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309743300 348407318 /nfs/dbraw/zinc/40/73/18/348407318.db2.gz WSKHDMDQLOBBAF-HLLBOEOZSA-N 1 1 271.408 2.646 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCCNc1ncc(C#N)cc1F ZINC000413029133 233006530 /nfs/dbraw/zinc/00/65/30/233006530.db2.gz FOADYEPDAHLTJF-GFCCVEGCSA-N 1 1 276.359 2.769 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)ccn1 ZINC000319290605 348433967 /nfs/dbraw/zinc/43/39/67/348433967.db2.gz NLRFUHILVQSATA-KZNAEPCWSA-N 1 1 299.418 2.859 20 30 CFEDMO N#CC1(CC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCCCC1 ZINC000596810285 349992347 /nfs/dbraw/zinc/99/23/47/349992347.db2.gz PFDJUIWGOUZYCQ-GJZGRUSLSA-N 1 1 289.423 2.594 20 30 CFEDMO Cc1c(Cl)cnc(NC[C@H](C)[N@@H+](C)C2CC2)c1C#N ZINC000273405577 192140526 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CC[C@H](C#N)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379708877 348521876 /nfs/dbraw/zinc/52/18/76/348521876.db2.gz GZYKWUWABUHRMK-IAGOWNOFSA-N 1 1 299.418 2.707 20 30 CFEDMO CC[C@H](C#N)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000383075289 348530739 /nfs/dbraw/zinc/53/07/39/348530739.db2.gz VEDGRQWOHIGYPU-DOTOQJQBSA-N 1 1 299.418 2.659 20 30 CFEDMO CC[C@@H](C#N)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000386662607 348536082 /nfs/dbraw/zinc/53/60/82/348536082.db2.gz MQZPUMHJODYTPO-INIZCTEOSA-N 1 1 299.418 2.707 20 30 CFEDMO CC[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCCOC1 ZINC000402581551 348582271 /nfs/dbraw/zinc/58/22/71/348582271.db2.gz DONXRMUJUZJVGZ-OAHLLOKOSA-N 1 1 262.328 2.698 20 30 CFEDMO CC[N@@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCCOC1 ZINC000402581551 348582273 /nfs/dbraw/zinc/58/22/73/348582273.db2.gz DONXRMUJUZJVGZ-OAHLLOKOSA-N 1 1 262.328 2.698 20 30 CFEDMO CC[N@@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCCOC1 ZINC000402601584 348582288 /nfs/dbraw/zinc/58/22/88/348582288.db2.gz RIUWQTLVYHLZGX-AWEZNQCLSA-N 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/nfs/dbraw/zinc/56/87/94/348568794.db2.gz GEWMQYARTVYKDI-UHFFFAOYSA-N 1 1 285.391 2.949 20 30 CFEDMO C=CCCCCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426771332 348613890 /nfs/dbraw/zinc/61/38/90/348613890.db2.gz AZOOFVAQFREFJJ-HNNXBMFYSA-N 1 1 264.413 2.818 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCCC(C)(C)C1 ZINC000446066239 348618214 /nfs/dbraw/zinc/61/82/14/348618214.db2.gz JRHCXQQCMKOSGD-YOEHRIQHSA-N 1 1 293.455 2.941 20 30 CFEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)Nc1ncc2c(c1C#N)CCC2 ZINC000584835306 348720933 /nfs/dbraw/zinc/72/09/33/348720933.db2.gz TTYNINUWJJBOEE-UONOGXRCSA-N 1 1 298.434 2.974 20 30 CFEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CCCCCC#N ZINC000588351860 348784899 /nfs/dbraw/zinc/78/48/99/348784899.db2.gz FYTIBAREGDUXRZ-GASCZTMLSA-N 1 1 279.428 2.840 20 30 CFEDMO CC1(C)CCC[N@@H+](CCNC(=O)CCCCCC#N)C1 ZINC000588722200 348792630 /nfs/dbraw/zinc/79/26/30/348792630.db2.gz JWBVOZRDMQPMEM-UHFFFAOYSA-N 1 1 279.428 2.699 20 30 CFEDMO N#CCCCCCC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000588722308 348793716 /nfs/dbraw/zinc/79/37/16/348793716.db2.gz VJYXTYOWPVWFEX-HNNXBMFYSA-N 1 1 277.412 2.594 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000585727820 348740386 /nfs/dbraw/zinc/74/03/86/348740386.db2.gz VLXXZJHHCYNZLO-XJKSGUPXSA-N 1 1 258.365 2.518 20 30 CFEDMO CCC#C[C@H](C)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000586773221 348750526 /nfs/dbraw/zinc/75/05/26/348750526.db2.gz FOLQYSZUNBMKOZ-ZDUSSCGKSA-N 1 1 260.337 2.871 20 30 CFEDMO CCc1nc(N[C@H](C)c2cccc(C#N)c2)cc(C)[nH+]1 ZINC000587988875 348764137 /nfs/dbraw/zinc/76/41/37/348764137.db2.gz DSMKLIKCIFFSQP-GFCCVEGCSA-N 1 1 266.348 2.814 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnn(CC(F)(F)F)c1 ZINC000426556505 539667029 /nfs/dbraw/zinc/66/70/29/539667029.db2.gz BIWMBRBNYXMHLT-GFCCVEGCSA-N 1 1 273.302 2.986 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)s1)C1CCC(CO)CC1 ZINC000589206185 348819571 /nfs/dbraw/zinc/81/95/71/348819571.db2.gz MCUPHVUHBQARMI-UHFFFAOYSA-N 1 1 264.394 2.603 20 30 CFEDMO CN(C)c1nc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)cs1 ZINC000589340448 348828108 /nfs/dbraw/zinc/82/81/08/348828108.db2.gz FCFRDYFEDHPWJC-HNNXBMFYSA-N 1 1 298.415 2.858 20 30 CFEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)n1 ZINC000589516388 348838065 /nfs/dbraw/zinc/83/80/65/348838065.db2.gz TYWQLRIFWZKXDO-STQMWFEESA-N 1 1 291.420 2.653 20 30 CFEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)n1 ZINC000589516388 348838066 /nfs/dbraw/zinc/83/80/66/348838066.db2.gz TYWQLRIFWZKXDO-STQMWFEESA-N 1 1 291.420 2.653 20 30 CFEDMO CC[C@H](C)[N@@H+](C)CCNc1c(C#N)cnc2c(C)cccc21 ZINC000589571778 348838922 /nfs/dbraw/zinc/83/89/22/348838922.db2.gz VWJOUWWPZJLCID-AWEZNQCLSA-N 1 1 296.418 2.979 20 30 CFEDMO CCOC(=O)CC[N@H+](Cc1cccc(F)c1C#N)C1CC1 ZINC000589984286 348867258 /nfs/dbraw/zinc/86/72/58/348867258.db2.gz DYLPSPPIJKXQEP-UHFFFAOYSA-N 1 1 290.338 2.615 20 30 CFEDMO CCOC(=O)CC[N@@H+](Cc1cccc(F)c1C#N)C1CC1 ZINC000589984286 348867260 /nfs/dbraw/zinc/86/72/60/348867260.db2.gz DYLPSPPIJKXQEP-UHFFFAOYSA-N 1 1 290.338 2.615 20 30 CFEDMO N#Cc1c(F)cccc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000589991019 348868366 /nfs/dbraw/zinc/86/83/66/348868366.db2.gz WHFGJVYYTRKUQG-HNNXBMFYSA-N 1 1 288.366 2.946 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](CCO)C2)cc1 ZINC000093105717 539684830 /nfs/dbraw/zinc/68/48/30/539684830.db2.gz HJLOVQGSSTZXQJ-OAHLLOKOSA-N 1 1 275.392 2.846 20 30 CFEDMO CC[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)[C@H](C)CO ZINC000590000448 348869082 /nfs/dbraw/zinc/86/90/82/348869082.db2.gz NXSBRMPSINXQII-CYBMUJFWSA-N 1 1 260.381 2.690 20 30 CFEDMO C[N@H+]1C[C@@H]2CCN(Cc3cccc(OCCCC#N)c3)[C@@H]2C1 ZINC000590053065 348871512 /nfs/dbraw/zinc/87/15/12/348871512.db2.gz WIBMDJUPXVHQMP-FUHWJXTLSA-N 1 1 299.418 2.505 20 30 CFEDMO CN1C[C@@H]2CC[N@H+](Cc3cccc(OCCCC#N)c3)[C@@H]2C1 ZINC000590053065 348871514 /nfs/dbraw/zinc/87/15/14/348871514.db2.gz WIBMDJUPXVHQMP-FUHWJXTLSA-N 1 1 299.418 2.505 20 30 CFEDMO CN1C[C@@H]2CC[N@@H+](Cc3cccc(OCCCC#N)c3)[C@@H]2C1 ZINC000590053065 348871516 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C[N@@H+](Cc1ccccc1)[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000590161225 348881117 /nfs/dbraw/zinc/88/11/17/348881117.db2.gz LLGSLEIHNFUETK-RCCFBDPRSA-N 1 1 283.419 2.885 20 30 CFEDMO CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@@](C)(C#N)C1 ZINC000590715486 348935161 /nfs/dbraw/zinc/93/51/61/348935161.db2.gz ILVSGGOWJGBSRF-HOTGVXAUSA-N 1 1 263.429 2.875 20 30 CFEDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000590746024 348940741 /nfs/dbraw/zinc/94/07/41/348940741.db2.gz FYIPNRDOLJOTQJ-HNNXBMFYSA-N 1 1 260.381 2.690 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000590757618 348943914 /nfs/dbraw/zinc/94/39/14/348943914.db2.gz NTWHPJIRESJZTP-HOCLYGCPSA-N 1 1 290.363 2.711 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000590762783 348945038 /nfs/dbraw/zinc/94/50/38/348945038.db2.gz YRPLDMGYTGTMSW-ZIAGYGMSSA-N 1 1 298.308 2.612 20 30 CFEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CC#CCOC)C12CCCCC2 ZINC000677480909 539691171 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C=C(C)[C@@H](CO)[N@H+]1CCC[C@@H](CCC(=O)OC(C)(C)C)C1 ZINC000591055915 348983114 /nfs/dbraw/zinc/98/31/14/348983114.db2.gz FSLYEKRXZMYPHS-LSDHHAIUSA-N 1 1 297.439 2.757 20 30 CFEDMO Cc1cc(C[N@H+]2CC[C@H](OC(F)F)C2)ccc1C#N ZINC000564783979 290231977 /nfs/dbraw/zinc/23/19/77/290231977.db2.gz CQAXYDPCFNHSNF-ZDUSSCGKSA-N 1 1 266.291 2.680 20 30 CFEDMO Cc1cc(NC(=O)[C@H]2CCO[C@H]2C)cn2cc[nH+]c12 ZINC000329407099 539697925 /nfs/dbraw/zinc/69/79/25/539697925.db2.gz ZNMNVALVKYFJGC-JQWIXIFHSA-N 1 1 259.309 2.656 20 30 CFEDMO CC(C)CC[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590951492 348970932 /nfs/dbraw/zinc/97/09/32/348970932.db2.gz YKQOCHDLYOLJTC-UHFFFAOYSA-N 1 1 261.325 2.944 20 30 CFEDMO CC(C)CC[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000590951492 348970934 /nfs/dbraw/zinc/97/09/34/348970934.db2.gz YKQOCHDLYOLJTC-UHFFFAOYSA-N 1 1 261.325 2.944 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccccc1N1CCCC1 ZINC000591728016 349040324 /nfs/dbraw/zinc/04/03/24/349040324.db2.gz ZSNSCNCXQOGWCQ-HNNXBMFYSA-N 1 1 282.391 2.820 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC[C@H](C#N)CCC#N)C1 ZINC000591728107 349040454 /nfs/dbraw/zinc/04/04/54/349040454.db2.gz YBYVONJLXGNBIC-BBWFWOEESA-N 1 1 290.455 2.778 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC[C@H](C#N)CCC#N)C1 ZINC000591728107 349040457 /nfs/dbraw/zinc/04/04/57/349040457.db2.gz YBYVONJLXGNBIC-BBWFWOEESA-N 1 1 290.455 2.778 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000591764213 349042971 /nfs/dbraw/zinc/04/29/71/349042971.db2.gz XNPZFWGPYRHWNF-BBRMVZONSA-N 1 1 264.332 2.579 20 30 CFEDMO C[C@@H]1Cc2[nH+]cn(Cc3nc(C#N)cs3)c2C[C@@H]1C ZINC000591338755 349010250 /nfs/dbraw/zinc/01/02/50/349010250.db2.gz GYWZSFWZWYBYHZ-ZJUUUORDSA-N 1 1 272.377 2.630 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000591480129 349026267 /nfs/dbraw/zinc/02/62/67/349026267.db2.gz RSPAQFIHYLLAIE-MRXNPFEDSA-N 1 1 270.376 2.746 20 30 CFEDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000591475745 349026911 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HITZCSCUEHTNPG-INIZCTEOSA-N 1 1 290.432 2.660 20 30 CFEDMO C[C@@H]1CC2(C[N@H+]1CCCSCC#N)CCOCC2 ZINC000592182184 349095844 /nfs/dbraw/zinc/09/58/44/349095844.db2.gz LGAQWPPWXCRMFO-CYBMUJFWSA-N 1 1 268.426 2.524 20 30 CFEDMO C[C@@H]1C[N@@H+](CCCSCC#N)CC2(CCCC2)O1 ZINC000592195073 349098184 /nfs/dbraw/zinc/09/81/84/349098184.db2.gz QIBBAJHNQCEZDD-CYBMUJFWSA-N 1 1 268.426 2.667 20 30 CFEDMO Cc1ccc2cc[nH+]c(NC3CCN(CC#N)CC3)c2c1 ZINC000591909845 349058849 /nfs/dbraw/zinc/05/88/49/349058849.db2.gz YLBLPMFHBSCUAB-UHFFFAOYSA-N 1 1 280.375 2.943 20 30 CFEDMO N#Cc1csc(C[NH2+][C@H](CCO)c2ccccc2F)c1 ZINC000592376418 349112207 /nfs/dbraw/zinc/11/22/07/349112207.db2.gz KFXODQVIAULSDQ-OAHLLOKOSA-N 1 1 290.363 2.972 20 30 CFEDMO CCC[C@H]1CCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000592507635 349129811 /nfs/dbraw/zinc/12/98/11/349129811.db2.gz VPKJKRIWVRYYQI-HNNXBMFYSA-N 1 1 283.379 2.756 20 30 CFEDMO CC[N@H+](Cc1occc1C)Cc1cnc2c(C#N)cnn2c1 ZINC000592517093 349130233 /nfs/dbraw/zinc/13/02/33/349130233.db2.gz OGZYQTCRYPOWQI-UHFFFAOYSA-N 1 1 295.346 2.525 20 30 CFEDMO CC[N@@H+](Cc1occc1C)Cc1cnc2c(C#N)cnn2c1 ZINC000592517093 349130234 /nfs/dbraw/zinc/13/02/34/349130234.db2.gz OGZYQTCRYPOWQI-UHFFFAOYSA-N 1 1 295.346 2.525 20 30 CFEDMO CC1(C)CCC[C@@H](C[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592522771 349132242 /nfs/dbraw/zinc/13/22/42/349132242.db2.gz RQWPEZSHSWIEFC-HIFRSBDPSA-N 1 1 250.386 2.553 20 30 CFEDMO N#CC[C@]1(O)CC[N@H+](CCCc2c(F)cccc2Cl)C1 ZINC000592522539 349132652 /nfs/dbraw/zinc/13/26/52/349132652.db2.gz OLTWIICAEYQUFT-HNNXBMFYSA-N 1 1 296.773 2.762 20 30 CFEDMO N#CC[C@]1(O)CC[N@@H+](CCCc2c(F)cccc2Cl)C1 ZINC000592522539 349132654 /nfs/dbraw/zinc/13/26/54/349132654.db2.gz OLTWIICAEYQUFT-HNNXBMFYSA-N 1 1 296.773 2.762 20 30 CFEDMO CCCCOc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592524281 349133471 /nfs/dbraw/zinc/13/34/71/349133471.db2.gz WYGBCPLWSJIBAY-QGZVFWFLSA-N 1 1 288.391 2.716 20 30 CFEDMO COc1ccc2cc(C[N@H+]3CC[C@](O)(CC#N)C3)ccc2c1 ZINC000592523372 349133787 /nfs/dbraw/zinc/13/37/87/349133787.db2.gz LFIUUTOMUZHPDX-GOSISDBHSA-N 1 1 296.370 2.699 20 30 CFEDMO CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592523402 349133843 /nfs/dbraw/zinc/13/38/43/349133843.db2.gz ZQUBINQLRFTKIH-ILXRZTDVSA-N 1 1 250.386 2.553 20 30 CFEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000592996131 349183002 /nfs/dbraw/zinc/18/30/02/349183002.db2.gz PQOCQECHVRVQAB-LLVKDONJSA-N 1 1 259.309 2.698 20 30 CFEDMO C[C@@H](CCO)[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000593107003 349210634 /nfs/dbraw/zinc/21/06/34/349210634.db2.gz CZTVNWYKYMDAOE-ZDUSSCGKSA-N 1 1 260.381 2.690 20 30 CFEDMO N#Cc1ccccc1OCC[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118360 349214551 /nfs/dbraw/zinc/21/45/51/349214551.db2.gz VLEXECAQVCLYBJ-CQSZACIVSA-N 1 1 278.302 2.668 20 30 CFEDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCCCC#N ZINC000593124036 349216236 /nfs/dbraw/zinc/21/62/36/349216236.db2.gz QQQXNRKZCKIIPB-GFCCVEGCSA-N 1 1 254.374 2.732 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 ZINC000593130224 349217948 /nfs/dbraw/zinc/21/79/48/349217948.db2.gz KZHILHROVCLKGL-VHDGCEQUSA-N 1 1 265.397 2.862 20 30 CFEDMO C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCCCC#N ZINC000593049576 349194048 /nfs/dbraw/zinc/19/40/48/349194048.db2.gz UUECZWMVISGAAX-CHWSQXEVSA-N 1 1 266.385 2.875 20 30 CFEDMO CC(C)O[C@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000593055601 349196376 /nfs/dbraw/zinc/19/63/76/349196376.db2.gz MXAQOQQIEGNEIO-ZDUSSCGKSA-N 1 1 256.415 2.523 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC)[C@H](CC)CO1 ZINC000593057703 349197416 /nfs/dbraw/zinc/19/74/16/349197416.db2.gz HDLUTZFRXMNEGO-HZPDHXFCSA-N 1 1 288.391 2.956 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)[C@H](CC)CO1 ZINC000593057703 349197418 /nfs/dbraw/zinc/19/74/18/349197418.db2.gz HDLUTZFRXMNEGO-HZPDHXFCSA-N 1 1 288.391 2.956 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC)[C@@H](CC)CO1 ZINC000593057704 349197461 /nfs/dbraw/zinc/19/74/61/349197461.db2.gz HDLUTZFRXMNEGO-JKSUJKDBSA-N 1 1 288.391 2.956 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)[C@@H](CC)CO1 ZINC000593057704 349197464 /nfs/dbraw/zinc/19/74/64/349197464.db2.gz HDLUTZFRXMNEGO-JKSUJKDBSA-N 1 1 288.391 2.956 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)[C@@H](C)CO1 ZINC000593060894 349198544 /nfs/dbraw/zinc/19/85/44/349198544.db2.gz FKAKVNWRUDDSFH-XJKSGUPXSA-N 1 1 258.365 2.866 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)c(C)c2)[C@@H](C)CO1 ZINC000593060894 349198547 /nfs/dbraw/zinc/19/85/47/349198547.db2.gz FKAKVNWRUDDSFH-XJKSGUPXSA-N 1 1 258.365 2.866 20 30 CFEDMO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)C2(CCC2)CO1 ZINC000593090678 349206288 /nfs/dbraw/zinc/20/62/88/349206288.db2.gz CJOLTAXEBKJWPW-CQSZACIVSA-N 1 1 286.375 2.580 20 30 CFEDMO C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)C2(CCC2)CO1 ZINC000593090678 349206290 /nfs/dbraw/zinc/20/62/90/349206290.db2.gz CJOLTAXEBKJWPW-CQSZACIVSA-N 1 1 286.375 2.580 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C 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350663115 /nfs/dbraw/zinc/66/31/15/350663115.db2.gz VVCCWIGJHQZNIC-CVEARBPZSA-N 1 1 290.432 2.575 20 30 CFEDMO N#Cc1cnc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2sccc21 ZINC000601104781 350668909 /nfs/dbraw/zinc/66/89/09/350668909.db2.gz GRKXUSLIPOFTDX-QWHCGFSZSA-N 1 1 298.415 2.629 20 30 CFEDMO C[C@@H]1[C@H](C)N(c2ncc(C#N)c3ccsc32)CC[N@@H+]1C ZINC000601136696 350679199 /nfs/dbraw/zinc/67/91/99/350679199.db2.gz JOAGOQGVAUXVMI-MNOVXSKESA-N 1 1 286.404 2.697 20 30 CFEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1CC#N ZINC000601170409 350687234 /nfs/dbraw/zinc/68/72/34/350687234.db2.gz QYXJQWXJBWKFIR-MRXNPFEDSA-N 1 1 299.418 2.747 20 30 CFEDMO CC[C@H]1C[N@@H+](C)CCCN1c1ncc(Cl)c(C)c1C#N ZINC000601189066 350692084 /nfs/dbraw/zinc/69/20/84/350692084.db2.gz ORVPHYPKSMUTQS-LBPRGKRZSA-N 1 1 292.814 2.836 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccccc1CC#N ZINC000601586386 350743107 /nfs/dbraw/zinc/74/31/07/350743107.db2.gz LIWAOLITWRYYQB-AWEZNQCLSA-N 1 1 287.407 2.603 20 30 CFEDMO 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/nfs/dbraw/zinc/80/75/12/350807512.db2.gz NTWVFKVRIIKXNL-OAHLLOKOSA-N 1 1 299.399 2.553 20 30 CFEDMO C[N@@H+](CC(=O)N[C@@H](C#N)C1CCCCC1)CC(C)(C)C ZINC000602115352 350842875 /nfs/dbraw/zinc/84/28/75/350842875.db2.gz IVBJUVYGGZJWGJ-AWEZNQCLSA-N 1 1 279.428 2.553 20 30 CFEDMO CC(C)(C)OCC[NH2+]Cc1cccc(F)c1C#N ZINC000602006001 350828865 /nfs/dbraw/zinc/82/88/65/350828865.db2.gz JFWAUMPKQRXWHZ-UHFFFAOYSA-N 1 1 250.317 2.602 20 30 CFEDMO CCCO[C@H]1CCC[N@@H+](Cc2cccc(C#N)n2)CC1 ZINC000602476495 350898994 /nfs/dbraw/zinc/89/89/94/350898994.db2.gz QVYUSYQCDFZNNH-INIZCTEOSA-N 1 1 273.380 2.734 20 30 CFEDMO CCSCC[C@H](C)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602480502 350899728 /nfs/dbraw/zinc/89/97/28/350899728.db2.gz CGYHEYURBNXAEE-LBPRGKRZSA-N 1 1 263.410 2.917 20 30 CFEDMO CCO[C@H](C)c1noc(C[N@H+](C)C[C@H](C)CCC#N)n1 ZINC000602482928 350900835 /nfs/dbraw/zinc/90/08/35/350900835.db2.gz HYJXHHOVHHIOEX-VXGBXAGGSA-N 1 1 280.372 2.539 20 30 CFEDMO CCO[C@H](C)c1noc(C[N@@H+](C)C[C@H](C)CCC#N)n1 ZINC000602482928 350900840 /nfs/dbraw/zinc/90/08/40/350900840.db2.gz HYJXHHOVHHIOEX-VXGBXAGGSA-N 1 1 280.372 2.539 20 30 CFEDMO C[C@@H]([C@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602486807 350903144 /nfs/dbraw/zinc/90/31/44/350903144.db2.gz PUEQOMSVTBDJFD-SCLBCKFNSA-N 1 1 293.370 2.777 20 30 CFEDMO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCCCC1 ZINC000602510219 350910136 /nfs/dbraw/zinc/91/01/36/350910136.db2.gz FGBYYPJAARJQDQ-INIZCTEOSA-N 1 1 293.455 2.551 20 30 CFEDMO CCOc1ccccc1C[NH2+]Cc1cccc(C#N)n1 ZINC000602524872 350914031 /nfs/dbraw/zinc/91/40/31/350914031.db2.gz GMFLPEZSKMGKCC-UHFFFAOYSA-N 1 1 267.332 2.642 20 30 CFEDMO COc1ccc(C2([NH2+]Cc3cccc(C#N)n3)CC2)cc1 ZINC000602541702 350918483 /nfs/dbraw/zinc/91/84/83/350918483.db2.gz ZDBSTBKSWCVSGL-UHFFFAOYSA-N 1 1 279.343 2.741 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)[C@@H]2CCCC[C@H]21 ZINC000602602504 350941539 /nfs/dbraw/zinc/94/15/39/350941539.db2.gz ULZHYQXMMMLJSL-UHOFOFEASA-N 1 1 255.365 2.964 20 30 CFEDMO C=C(C)C[N@@H+](CC)Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602429712 350879135 /nfs/dbraw/zinc/87/91/35/350879135.db2.gz SOWQETSSMQSMKH-UHFFFAOYSA-N 1 1 293.411 2.773 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1cc(C(=O)OC(C)(C)C)nn1C ZINC000602429712 350879137 /nfs/dbraw/zinc/87/91/37/350879137.db2.gz SOWQETSSMQSMKH-UHFFFAOYSA-N 1 1 293.411 2.773 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000602433205 350880515 /nfs/dbraw/zinc/88/05/15/350880515.db2.gz LUWCWXJUGXPCON-KBPBESRZSA-N 1 1 274.364 2.698 20 30 CFEDMO CC[N@@H+](CCC#N)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602437333 350881435 /nfs/dbraw/zinc/88/14/35/350881435.db2.gz HUWGSBDCSXEWST-HNNXBMFYSA-N 1 1 257.381 2.748 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCCN(c3ccccc3)CC2)n1 ZINC000602451250 350888084 /nfs/dbraw/zinc/88/80/84/350888084.db2.gz WNSFUVAZEJUIRB-UHFFFAOYSA-N 1 1 292.386 2.666 20 30 CFEDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602453841 350888879 /nfs/dbraw/zinc/88/88/79/350888879.db2.gz JPMYZKKIKGTPJX-CABCVRRESA-N 1 1 279.428 2.555 20 30 CFEDMO C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H](C)CCC#N ZINC000602453290 350888884 /nfs/dbraw/zinc/88/88/84/350888884.db2.gz JZCURJDPKPPYFB-LSDHHAIUSA-N 1 1 260.381 2.809 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)n1 ZINC000602453740 350889691 /nfs/dbraw/zinc/88/96/91/350889691.db2.gz JJZHBSODVTXJNG-KRWDZBQOSA-N 1 1 279.343 2.996 20 30 CFEDMO C[C@@H](CC#N)[N@@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000602460697 350890262 /nfs/dbraw/zinc/89/02/62/350890262.db2.gz ASSWAYAPEGNIFA-LSDHHAIUSA-N 1 1 257.381 2.747 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@H](N2CCCC2)C1 ZINC000602466455 350892351 /nfs/dbraw/zinc/89/23/51/350892351.db2.gz VOKDZCAHSJTSRS-CVEARBPZSA-N 1 1 263.429 2.877 20 30 CFEDMO C[C@H](CCC#N)CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000602466455 350892355 /nfs/dbraw/zinc/89/23/55/350892355.db2.gz VOKDZCAHSJTSRS-CVEARBPZSA-N 1 1 263.429 2.877 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000602474843 350895567 /nfs/dbraw/zinc/89/55/67/350895567.db2.gz OBHDVXRLYZGRRW-GJZGRUSLSA-N 1 1 293.455 2.801 20 30 CFEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1C[C@H](C)CCC#N ZINC000602640858 350958160 /nfs/dbraw/zinc/95/81/60/350958160.db2.gz DUPSITCVUFQEQB-HUUCEWRRSA-N 1 1 252.402 2.799 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000602646247 350959807 /nfs/dbraw/zinc/95/98/07/350959807.db2.gz BRSWFGPWUGFYRM-HIFRSBDPSA-N 1 1 260.385 2.887 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000602651381 350962081 /nfs/dbraw/zinc/96/20/81/350962081.db2.gz IGCYPLSRETXXPS-SJLPKXTDSA-N 1 1 285.435 2.785 20 30 CFEDMO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602663930 350966260 /nfs/dbraw/zinc/96/62/60/350966260.db2.gz KZSJBNOGXMPDQR-BDJLRTHQSA-N 1 1 265.316 2.565 20 30 CFEDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc(F)c2C#N)C1 ZINC000602666737 350967392 /nfs/dbraw/zinc/96/73/92/350967392.db2.gz OOFALHFTTKTZIA-YOEHRIQHSA-N 1 1 287.382 2.613 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000602672067 350970533 /nfs/dbraw/zinc/97/05/33/350970533.db2.gz MJUTUDAAMGCRTO-ZFWWWQNUSA-N 1 1 250.386 2.817 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCOC[C@@H]1CC1CCC1 ZINC000602672065 350971032 /nfs/dbraw/zinc/97/10/32/350971032.db2.gz MJUTUDAAMGCRTO-HIFRSBDPSA-N 1 1 250.386 2.817 20 30 CFEDMO C=CC[N@H+](CCC#N)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602672961 350971459 /nfs/dbraw/zinc/97/14/59/350971459.db2.gz SWXQARYCVNIOOR-INIZCTEOSA-N 1 1 269.392 2.915 20 30 CFEDMO C=CC[N@@H+](CCC#N)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602672961 350971463 /nfs/dbraw/zinc/97/14/63/350971463.db2.gz SWXQARYCVNIOOR-INIZCTEOSA-N 1 1 269.392 2.915 20 30 CFEDMO CC1(C)C[N@@H+](Cc2cccc(C#N)n2)[C@@H]2CCC[C@H]21 ZINC000602675718 350972951 /nfs/dbraw/zinc/97/29/51/350972951.db2.gz ISGYIIJLVWQNEH-HUUCEWRRSA-N 1 1 255.365 2.964 20 30 CFEDMO CC(C)[C@@]1(CO)CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602677980 350973489 /nfs/dbraw/zinc/97/34/89/350973489.db2.gz YUBZIOSEJPRGCS-GJZGRUSLSA-N 1 1 252.402 2.657 20 30 CFEDMO C[C@@H](CCC#N)CN1CCC(C)([NH+]2CCCC2)CC1 ZINC000602737299 351008167 /nfs/dbraw/zinc/00/81/67/351008167.db2.gz URPGOXAJUVWKAN-HNNXBMFYSA-N 1 1 263.429 2.877 20 30 CFEDMO COc1cccc2c1C[N@@H+](C[C@H](C)CCC#N)CC2 ZINC000602683680 350976656 /nfs/dbraw/zinc/97/66/56/350976656.db2.gz RHLDWYQVGFXSQI-CYBMUJFWSA-N 1 1 258.365 2.993 20 30 CFEDMO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccc2cncn2c1 ZINC000602689886 350980401 /nfs/dbraw/zinc/98/04/01/350980401.db2.gz GPOMDXYMBAHAMT-AWEZNQCLSA-N 1 1 298.390 2.523 20 30 CFEDMO CC(C)[C@H]1[N@@H+](Cc2cccc(C#N)n2)CC12CCOCC2 ZINC000602691751 350981699 /nfs/dbraw/zinc/98/16/99/350981699.db2.gz SRCSKOZTFKNWPY-MRXNPFEDSA-N 1 1 285.391 2.590 20 30 CFEDMO Cc1ncc([C@H](C)[NH2+]CC2(C#N)CCCC2)c(C)n1 ZINC000602697553 350984407 /nfs/dbraw/zinc/98/44/07/350984407.db2.gz AZRPCCHGYOMWCL-NSHDSACASA-N 1 1 258.369 2.828 20 30 CFEDMO C[C@H](CCC#N)C[NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1 ZINC000602696934 350984416 /nfs/dbraw/zinc/98/44/16/350984416.db2.gz MQVJVJHXTAMGTO-NXHRZFHOSA-N 1 1 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QQGNCXICQNUUGF-UHFFFAOYSA-N 1 1 268.360 2.893 20 30 CFEDMO N#Cc1c(N)n[nH]c1CCCNc1cc[nH+]c2ccsc21 ZINC000301494853 201029413 /nfs/dbraw/zinc/02/94/13/201029413.db2.gz AFMWJNIKKLORRS-UHFFFAOYSA-N 1 1 298.375 2.518 20 30 CFEDMO Cn1ccnc1[C@H]([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000183243819 189351498 /nfs/dbraw/zinc/35/14/98/189351498.db2.gz JXBJEPRTRIXHEO-OAHLLOKOSA-N 1 1 266.348 2.533 20 30 CFEDMO CC1([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)OCCO1 ZINC000183843212 189369369 /nfs/dbraw/zinc/36/93/69/189369369.db2.gz QALPYSYESMVBGZ-INIZCTEOSA-N 1 1 286.375 2.533 20 30 CFEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344039778 291276745 /nfs/dbraw/zinc/27/67/45/291276745.db2.gz RQIMJLRPTNYTCS-JKSUJKDBSA-N 1 1 284.359 2.504 20 30 CFEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C2CC2)C1 ZINC000344039778 291276746 /nfs/dbraw/zinc/27/67/46/291276746.db2.gz RQIMJLRPTNYTCS-JKSUJKDBSA-N 1 1 284.359 2.504 20 30 CFEDMO CCn1nnc(C)c1C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425367822 239031066 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ZINC000426419573 239221786 /nfs/dbraw/zinc/22/17/86/239221786.db2.gz MDMSHEWPLPDMPN-INIZCTEOSA-N 1 1 288.391 2.604 20 30 CFEDMO COCC(C)(C)C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000426419573 239221792 /nfs/dbraw/zinc/22/17/92/239221792.db2.gz MDMSHEWPLPDMPN-INIZCTEOSA-N 1 1 288.391 2.604 20 30 CFEDMO CC1=CC[N@@H+](CCNc2ccc(Cl)c(C#N)n2)CC1 ZINC000302158161 201372116 /nfs/dbraw/zinc/37/21/16/201372116.db2.gz OLLRENNIWMICDU-UHFFFAOYSA-N 1 1 276.771 2.671 20 30 CFEDMO C=CCN(Cc1c[nH+]c(C)n1C)Cc1ccc(OC)cc1 ZINC000667534961 541251709 /nfs/dbraw/zinc/25/17/09/541251709.db2.gz RTGDQFXZVGXUFW-UHFFFAOYSA-N 1 1 285.391 2.925 20 30 CFEDMO N#Cc1ccc(O[C@H]2CC[N@@H+](CCC3CCCC3)C2)nc1 ZINC000428815394 239526774 /nfs/dbraw/zinc/52/67/74/239526774.db2.gz UXTANXNVSYUQNE-INIZCTEOSA-N 1 1 285.391 2.987 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1cc2ccncc2s1 ZINC000668055074 541375475 /nfs/dbraw/zinc/37/54/75/541375475.db2.gz QRXUHHFCHXOYSU-UHFFFAOYSA-N 1 1 262.378 2.931 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)nn1 ZINC000668177651 541393947 /nfs/dbraw/zinc/39/39/47/541393947.db2.gz BJIGXMPHBJHEIX-HNNXBMFYSA-N 1 1 272.396 2.619 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)nn1 ZINC000668177651 541393951 /nfs/dbraw/zinc/39/39/51/541393951.db2.gz BJIGXMPHBJHEIX-HNNXBMFYSA-N 1 1 272.396 2.619 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)nn1 ZINC000668190317 541397927 /nfs/dbraw/zinc/39/79/27/541397927.db2.gz BCRUGLKOBCEZKK-CQSZACIVSA-N 1 1 262.401 2.721 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CC(C)(C)[C@H]2C(C)C)nn1 ZINC000668190317 541397930 /nfs/dbraw/zinc/39/79/30/541397930.db2.gz BCRUGLKOBCEZKK-CQSZACIVSA-N 1 1 262.401 2.721 20 30 CFEDMO C[N@@H+](Cc1ccc(F)cc1C#N)C[C@@H](O)Cc1ccccc1 ZINC000433065109 240090903 /nfs/dbraw/zinc/09/09/03/240090903.db2.gz ZZPMKHZSJZQOQF-SFHVURJKSA-N 1 1 298.361 2.733 20 30 CFEDMO C[N@H+](Cc1ccc(F)cc1C#N)C[C@@H](O)Cc1ccccc1 ZINC000433065109 240090905 /nfs/dbraw/zinc/09/09/05/240090905.db2.gz ZZPMKHZSJZQOQF-SFHVURJKSA-N 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ZINC000187992955 382318600 /nfs/dbraw/zinc/31/86/00/382318600.db2.gz BNBZSLQDHHWBRM-HNNXBMFYSA-N 1 1 284.359 2.841 20 30 CFEDMO C=CCCO[C@@H](C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000345878464 382319840 /nfs/dbraw/zinc/31/98/40/382319840.db2.gz KGSNFAHOXLXNNO-HOTGVXAUSA-N 1 1 296.455 2.738 20 30 CFEDMO Cc1c(F)cccc1NC(=O)CC[N@@H+](C)[C@@H](C)CC#N ZINC000345939299 382324457 /nfs/dbraw/zinc/32/44/57/382324457.db2.gz UUFMKKWIULCVOS-NSHDSACASA-N 1 1 277.343 2.697 20 30 CFEDMO Cc1c(F)cccc1NC(=O)CC[N@H+](C)[C@@H](C)CC#N ZINC000345939299 382324459 /nfs/dbraw/zinc/32/44/59/382324459.db2.gz UUFMKKWIULCVOS-NSHDSACASA-N 1 1 277.343 2.697 20 30 CFEDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccccc2C#N)C1 ZINC000188012309 382324755 /nfs/dbraw/zinc/32/47/55/382324755.db2.gz XZTZCJWFXLFSDH-BBRMVZONSA-N 1 1 258.365 2.541 20 30 CFEDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC000188019977 382325813 /nfs/dbraw/zinc/32/58/13/382325813.db2.gz IVRRJDWOHDTJEN-LRDDRELGSA-N 1 1 276.355 2.680 20 30 CFEDMO C[C@H]1Oc2c(cccc2F)[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000364583656 382331116 /nfs/dbraw/zinc/33/11/16/382331116.db2.gz ULDNVWHLHUDVES-BMIGLBTASA-N 1 1 285.322 2.648 20 30 CFEDMO CC(C)(CC#N)C[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000419363618 382298114 /nfs/dbraw/zinc/29/81/14/382298114.db2.gz ZHRHQYTWFMROGK-OAHLLOKOSA-N 1 1 285.391 2.536 20 30 CFEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000378063321 382393429 /nfs/dbraw/zinc/39/34/29/382393429.db2.gz WIYVVJQYDVLHDA-SJORKVTESA-N 1 1 282.387 2.856 20 30 CFEDMO C[N@@H+](CCNc1c(C#N)cccc1C#N)C1CCCC1 ZINC000302896723 382347550 /nfs/dbraw/zinc/34/75/50/382347550.db2.gz RFQPJHXQHAFEBQ-UHFFFAOYSA-N 1 1 268.364 2.716 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000305095304 382422916 /nfs/dbraw/zinc/42/29/16/382422916.db2.gz RVHPEKBNNJTARD-SJORKVTESA-N 1 1 275.392 2.561 20 30 CFEDMO CC[C@H](CC#N)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000358064661 382434749 /nfs/dbraw/zinc/43/47/49/382434749.db2.gz LNUZAOIUAWQWOT-ZIAGYGMSSA-N 1 1 293.798 2.751 20 30 CFEDMO Cc1ccc2ncc(C#N)c(N(C)C[C@@H]3CCC[N@H+]3C)c2c1 ZINC000420634049 382436205 /nfs/dbraw/zinc/43/62/05/382436205.db2.gz KHMSDHVSIZRNKL-HNNXBMFYSA-N 1 1 294.402 2.945 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000358075506 382440784 /nfs/dbraw/zinc/44/07/84/382440784.db2.gz QOPYGLXASCJZTA-ZDUSSCGKSA-N 1 1 273.298 2.988 20 30 CFEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000358075506 382440790 /nfs/dbraw/zinc/44/07/90/382440790.db2.gz QOPYGLXASCJZTA-ZDUSSCGKSA-N 1 1 273.298 2.988 20 30 CFEDMO C[N@@H+](CCO)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000305735135 382443583 /nfs/dbraw/zinc/44/35/83/382443583.db2.gz REZTUVXBZGOZNT-UHFFFAOYSA-N 1 1 296.370 2.561 20 30 CFEDMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(C#N)s3)C2)no1 ZINC000378349953 382444891 /nfs/dbraw/zinc/44/48/91/382444891.db2.gz MCZNTOSBABMNRR-NSHDSACASA-N 1 1 288.376 2.691 20 30 CFEDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(C#N)s3)C2)no1 ZINC000378349953 382444895 /nfs/dbraw/zinc/44/48/95/382444895.db2.gz MCZNTOSBABMNRR-NSHDSACASA-N 1 1 288.376 2.691 20 30 CFEDMO C=CCOCC[N@H+]1CCCC[C@H]1c1nccn1CC ZINC000294066009 382400558 /nfs/dbraw/zinc/40/05/58/382400558.db2.gz KGVAYNIWYGULOX-AWEZNQCLSA-N 1 1 263.385 2.633 20 30 CFEDMO C=CCOCC[N@@H+]1CCCC[C@H]1c1nccn1CC ZINC000294066009 382400564 /nfs/dbraw/zinc/40/05/64/382400564.db2.gz KGVAYNIWYGULOX-AWEZNQCLSA-N 1 1 263.385 2.633 20 30 CFEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000304479612 382410517 /nfs/dbraw/zinc/41/05/17/382410517.db2.gz AMUBFFKHDJTSMP-UONOGXRCSA-N 1 1 252.402 2.942 20 30 CFEDMO C=CCCCCC[NH+]1CCN([C@@H]2CCSC2)CC1 ZINC000365839174 382452875 /nfs/dbraw/zinc/45/28/75/382452875.db2.gz QOBKVXIMSKWJPB-OAHLLOKOSA-N 1 1 268.470 2.856 20 30 CFEDMO CO[C@]1(C)CCC[N@@H+](Cc2cnc3ccc(C#N)cn23)CC1 ZINC000366275163 382496084 /nfs/dbraw/zinc/49/60/84/382496084.db2.gz VNNGFBIZOGSFEM-QGZVFWFLSA-N 1 1 298.390 2.597 20 30 CFEDMO C=CCCC[C@H](C)[N@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 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C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H]1C(C)C ZINC000353052199 382489919 /nfs/dbraw/zinc/48/99/19/382489919.db2.gz OUYAZNPSLLMCHH-SJORKVTESA-N 1 1 289.419 2.885 20 30 CFEDMO N#CCCC[NH2+][C@H](c1ccc(F)cc1)c1cnccn1 ZINC000346810938 382524579 /nfs/dbraw/zinc/52/45/79/382524579.db2.gz SISOAZRYNMSLQN-OAHLLOKOSA-N 1 1 270.311 2.598 20 30 CFEDMO C=CCOCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000420926827 382499029 /nfs/dbraw/zinc/49/90/29/382499029.db2.gz NSDWIIWTJRMHRD-UONOGXRCSA-N 1 1 283.412 2.631 20 30 CFEDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CC1(C#N)CC1 ZINC000420920535 382499549 /nfs/dbraw/zinc/49/95/49/382499549.db2.gz BJIKJDYYPHYVRP-STQMWFEESA-N 1 1 278.396 2.732 20 30 CFEDMO C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CC1(C#N)CC1 ZINC000420920535 382499552 /nfs/dbraw/zinc/49/95/52/382499552.db2.gz BJIKJDYYPHYVRP-STQMWFEESA-N 1 1 278.396 2.732 20 30 CFEDMO C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000294303732 382501518 /nfs/dbraw/zinc/50/15/18/382501518.db2.gz CDWNMXMAKBOWQL-MRXNPFEDSA-N 1 1 286.419 2.979 20 30 CFEDMO N#CCC[N@@H+](CCCC1CCOCC1)CC1CC1 ZINC000346820313 382528220 /nfs/dbraw/zinc/52/82/20/382528220.db2.gz DIHPJORLWUWHKI-UHFFFAOYSA-N 1 1 250.386 2.819 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@]12CCOC2 ZINC000421018637 382506984 /nfs/dbraw/zinc/50/69/84/382506984.db2.gz LFNBWQYIMLADQL-QGZVFWFLSA-N 1 1 270.376 2.853 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000421018974 382508202 /nfs/dbraw/zinc/50/82/02/382508202.db2.gz MXNQLQCJPUHVOE-ZNMIVQPWSA-N 1 1 297.439 2.613 20 30 CFEDMO C=C(Cl)C[N@H+]1CCC[C@H](C(=O)Nc2nc(C)cs2)C1 ZINC000366450909 382513223 /nfs/dbraw/zinc/51/32/23/382513223.db2.gz RKQXHGRVBNKBTE-NSHDSACASA-N 1 1 299.827 2.855 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCC[C@H](C(=O)Nc2nc(C)cs2)C1 ZINC000366450909 382513226 /nfs/dbraw/zinc/51/32/26/382513226.db2.gz RKQXHGRVBNKBTE-NSHDSACASA-N 1 1 299.827 2.855 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000189086859 382539308 /nfs/dbraw/zinc/53/93/08/382539308.db2.gz KBNWOZUEBRWMPR-GDBMZVCRSA-N 1 1 271.408 2.893 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000189086859 382539312 /nfs/dbraw/zinc/53/93/12/382539312.db2.gz KBNWOZUEBRWMPR-GDBMZVCRSA-N 1 1 271.408 2.893 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1cc(F)ccc1F ZINC000294888539 382540394 /nfs/dbraw/zinc/54/03/94/382540394.db2.gz DUOMXGYRYACEOM-LBPRGKRZSA-N 1 1 266.335 2.571 20 30 CFEDMO C#CCN(C)CCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000294888539 382540398 /nfs/dbraw/zinc/54/03/98/382540398.db2.gz DUOMXGYRYACEOM-LBPRGKRZSA-N 1 1 266.335 2.571 20 30 CFEDMO N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)CC2 ZINC000353411521 382544571 /nfs/dbraw/zinc/54/45/71/382544571.db2.gz KJRCSCXGAYWLOD-SOLBZPMBSA-N 1 1 281.403 2.762 20 30 CFEDMO N#Cc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000353411521 382544575 /nfs/dbraw/zinc/54/45/75/382544575.db2.gz KJRCSCXGAYWLOD-SOLBZPMBSA-N 1 1 281.403 2.762 20 30 CFEDMO C[C@@H]1CCNC(=O)[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000328601172 382553308 /nfs/dbraw/zinc/55/33/08/382553308.db2.gz FALBADDPVUKAFV-KWCYVHTRSA-N 1 1 293.411 2.715 20 30 CFEDMO C#CC[C@H](NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)c1ccccc1 ZINC000366920361 382553824 /nfs/dbraw/zinc/55/38/24/382553824.db2.gz FPKLMUGZUXXDSA-BZSNNMDCSA-N 1 1 296.414 2.742 20 30 CFEDMO C=C(Br)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000366954557 382555027 /nfs/dbraw/zinc/55/50/27/382555027.db2.gz XNLUOUXMEXPDCT-GHMZBOCLSA-N 1 1 260.175 2.538 20 30 CFEDMO C=C(Br)C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000366954557 382555031 /nfs/dbraw/zinc/55/50/31/382555031.db2.gz XNLUOUXMEXPDCT-GHMZBOCLSA-N 1 1 260.175 2.538 20 30 CFEDMO C=C[C@H](C)[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000358297857 382555414 /nfs/dbraw/zinc/55/54/14/382555414.db2.gz LIQZWTMPOYXMLL-RYUDHWBXSA-N 1 1 256.353 2.801 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@]23CCOC3)cc1 ZINC000367041396 382556438 /nfs/dbraw/zinc/55/64/38/382556438.db2.gz 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C[N@@H+](CC(C)(C)CCC#N)[C@@H](CO)c1ccccc1 ZINC000449451721 383300617 /nfs/dbraw/zinc/30/06/17/383300617.db2.gz JEYMONPZACPESR-HNNXBMFYSA-N 1 1 260.381 2.982 20 30 CFEDMO N#CCCCN1CC[N@@H+](CCCC#N)[C@H]2CCCC[C@@H]21 ZINC000339734360 383301936 /nfs/dbraw/zinc/30/19/36/383301936.db2.gz REWONNUXOCCUIZ-HOTGVXAUSA-N 1 1 274.412 2.523 20 30 CFEDMO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(C#N)cc1C ZINC000248889296 383304140 /nfs/dbraw/zinc/30/41/40/383304140.db2.gz YJAOHRPLQAUTMX-IKGGRYGDSA-N 1 1 298.386 2.640 20 30 CFEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NC[C@H](C#N)CCC#N ZINC000567727159 383308311 /nfs/dbraw/zinc/30/83/11/383308311.db2.gz AVIPJOCSGUJUGU-WBVHZDCISA-N 1 1 284.407 2.540 20 30 CFEDMO C[C@H](CN(C)Cc1ccccc1)[NH2+]C[C@H](C#N)CCC#N ZINC000567727159 383308312 /nfs/dbraw/zinc/30/83/12/383308312.db2.gz AVIPJOCSGUJUGU-WBVHZDCISA-N 1 1 284.407 2.540 20 30 CFEDMO C[C@@H](O)C[N@@H+](CC1(C#N)CCC1)C1CCCCC1 ZINC000450356103 383392326 /nfs/dbraw/zinc/39/23/26/383392326.db2.gz 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C=CCC1(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CCCC1 ZINC000449837269 383367960 /nfs/dbraw/zinc/36/79/60/383367960.db2.gz WPOHEEKFNFJSKB-ZDUSSCGKSA-N 1 1 264.413 2.722 20 30 CFEDMO C=CCC1(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CCCC1 ZINC000450075559 383380040 /nfs/dbraw/zinc/38/00/40/383380040.db2.gz OLDNSMVLTCPHKJ-UONOGXRCSA-N 1 1 276.424 2.864 20 30 CFEDMO C=CCC1(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CCCC1 ZINC000450097539 383381028 /nfs/dbraw/zinc/38/10/28/383381028.db2.gz PHSBRXCYESHYGM-GJZGRUSLSA-N 1 1 278.440 2.968 20 30 CFEDMO COC(=O)c1cnc([C@@H](C)[NH2+]CCC(C)(C)C#N)s1 ZINC000425484941 383381677 /nfs/dbraw/zinc/38/16/77/383381677.db2.gz JNLYFYZYWADMMW-SECBINFHSA-N 1 1 281.381 2.520 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425503482 383381749 /nfs/dbraw/zinc/38/17/49/383381749.db2.gz JATXLKRAQAXYFU-BBRMVZONSA-N 1 1 281.363 2.548 20 30 CFEDMO COCC(C)(C)N1CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000425507383 383382613 /nfs/dbraw/zinc/38/26/13/383382613.db2.gz 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/nfs/dbraw/zinc/38/77/76/383387776.db2.gz IUNYFUFLQNNYSV-UHFFFAOYSA-N 1 1 299.418 2.649 20 30 CFEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000526056727 383424932 /nfs/dbraw/zinc/42/49/32/383424932.db2.gz DMTLDSAPKUBUNL-FMKPAKJESA-N 1 1 297.402 2.630 20 30 CFEDMO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000526056727 383424937 /nfs/dbraw/zinc/42/49/37/383424937.db2.gz DMTLDSAPKUBUNL-FMKPAKJESA-N 1 1 297.402 2.630 20 30 CFEDMO C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000487564608 383481287 /nfs/dbraw/zinc/48/12/87/383481287.db2.gz XUYADEHHIHTMFH-RDJZCZTQSA-N 1 1 286.419 2.789 20 30 CFEDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cccc(F)c2C#N)C1 ZINC000428252832 383436289 /nfs/dbraw/zinc/43/62/89/383436289.db2.gz LWJVSJCNUIVSIR-CQSZACIVSA-N 1 1 289.398 2.861 20 30 CFEDMO N#CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253096687 383444059 /nfs/dbraw/zinc/44/40/59/383444059.db2.gz QQWYROWBGHBJMI-RBSFLKMASA-N 1 1 250.386 2.696 20 30 CFEDMO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000253100145 383445755 /nfs/dbraw/zinc/44/57/55/383445755.db2.gz WBWHXDMGEHVVOY-USXIJHARSA-N 1 1 288.366 2.823 20 30 CFEDMO COC(=O)[C@H](C)[C@H]([NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000450579040 383468113 /nfs/dbraw/zinc/46/81/13/383468113.db2.gz JEDXIHQCCWOCFX-HIFRSBDPSA-N 1 1 286.375 2.820 20 30 CFEDMO CC[C@@]1(CO)CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428429993 383470771 /nfs/dbraw/zinc/47/07/71/383470771.db2.gz KKTBBILFLQPWAX-MRXNPFEDSA-N 1 1 276.355 2.682 20 30 CFEDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428429993 383470773 /nfs/dbraw/zinc/47/07/73/383470773.db2.gz KKTBBILFLQPWAX-MRXNPFEDSA-N 1 1 276.355 2.682 20 30 CFEDMO C=CC[N@H+](C[C@@H](C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000569142202 383472519 /nfs/dbraw/zinc/47/25/19/383472519.db2.gz GBGLNRWHLGGMAI-ZBFHGGJFSA-N 1 1 299.480 2.878 20 30 CFEDMO Cc1c(Cl)cnc(N2CC[N@@H+](C)[C@H](C(C)C)C2)c1C#N ZINC000487072547 383477140 /nfs/dbraw/zinc/47/71/40/383477140.db2.gz CRTRTKCJAZZMLC-AWEZNQCLSA-N 1 1 292.814 2.692 20 30 CFEDMO N#Cc1ccc2ncc(C[N@H+]3CC[C@@H]4CCC[C@@H]43)n2c1 ZINC000428463498 383478726 /nfs/dbraw/zinc/47/87/26/383478726.db2.gz VQKMUYXGRWJNNZ-ZFWWWQNUSA-N 1 1 266.348 2.580 20 30 CFEDMO CC[C@H](C(=O)N[C@]1(C#N)CC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000427897471 383417790 /nfs/dbraw/zinc/41/77/90/383417790.db2.gz RIBBIWNXBHHJRK-QAPCUYQASA-N 1 1 299.418 2.705 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429565750 383547153 /nfs/dbraw/zinc/54/71/53/383547153.db2.gz SYXSKHWPAWVYLL-KGLIPLIRSA-N 1 1 252.402 2.531 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]21 ZINC000450775052 383487711 /nfs/dbraw/zinc/48/77/11/383487711.db2.gz AXJSXFLODCXKNJ-RISCZKNCSA-N 1 1 295.308 2.717 20 30 CFEDMO CC(C)OCCC[N@@H+](C)Cc1cccc(C#N)c1F ZINC000340874796 383497479 /nfs/dbraw/zinc/49/74/79/383497479.db2.gz PVDBQXBSRBUTLC-UHFFFAOYSA-N 1 1 264.344 2.944 20 30 CFEDMO Cc1cc(C[N@H+]2CCc3ccccc3[C@@H]2CO)ccc1C#N ZINC000488129106 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C=CCOCCC[N@H+]1C[C@H](C(F)(F)F)OC(C)(C)C1 ZINC000428925034 383502679 /nfs/dbraw/zinc/50/26/79/383502679.db2.gz RDARWZJVUPTVMQ-LLVKDONJSA-N 1 1 281.318 2.621 20 30 CFEDMO Cc1cc(C[N@H+]2[C@H](C)CCC[C@H]2CO)ccc1C#N ZINC000488166710 383503127 /nfs/dbraw/zinc/50/31/27/383503127.db2.gz UZPCEVBSXPSKQA-CJNGLKHVSA-N 1 1 258.365 2.602 20 30 CFEDMO C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C#N)c2)C1 ZINC000429579906 383550457 /nfs/dbraw/zinc/55/04/57/383550457.db2.gz NDNKCTXIHLWZIH-IUODEOHRSA-N 1 1 271.364 2.617 20 30 CFEDMO C=C1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000528382565 383510974 /nfs/dbraw/zinc/51/09/74/383510974.db2.gz QYURPKANECYMQH-HNNXBMFYSA-N 1 1 262.397 2.572 20 30 CFEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc(C#N)cc1 ZINC000341064623 383550902 /nfs/dbraw/zinc/55/09/02/383550902.db2.gz SHSVTPWNLLCEQE-OKILXGFUSA-N 1 1 285.391 2.551 20 30 CFEDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2C#N)[C@H]1C(C)C ZINC000429359313 383522917 /nfs/dbraw/zinc/52/29/17/383522917.db2.gz 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/nfs/dbraw/zinc/58/61/03/384586103.db2.gz BHRIABUPXJKXKV-CYBMUJFWSA-N 1 1 284.338 2.800 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](C2CC2)O1 ZINC000279365106 384613723 /nfs/dbraw/zinc/61/37/23/384613723.db2.gz RJFGLKFFMHUIPB-MLGOLLRUSA-N 1 1 256.349 2.558 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](C2CC2)O1 ZINC000279365106 384613727 /nfs/dbraw/zinc/61/37/27/384613727.db2.gz RJFGLKFFMHUIPB-MLGOLLRUSA-N 1 1 256.349 2.558 20 30 CFEDMO C=C(C)C[N@@H+](CCN1CCCC1=O)Cc1ccccc1 ZINC000279385949 384622105 /nfs/dbraw/zinc/62/21/05/384622105.db2.gz TXJMWIGEXZTSKP-UHFFFAOYSA-N 1 1 272.392 2.687 20 30 CFEDMO C=CCc1cc(C[N@@H+](C)CCCCCO)cc(OC)c1O ZINC000279496493 384654851 /nfs/dbraw/zinc/65/48/51/384654851.db2.gz VLWPQTGUYIXHCS-UHFFFAOYSA-N 1 1 293.407 2.724 20 30 CFEDMO CCOc1ccccc1NC(=O)CC[N@H+](C)C[C@@H](C)C#N ZINC000268929813 384695307 /nfs/dbraw/zinc/69/53/07/384695307.db2.gz XXULKZMABBTFIA-ZDUSSCGKSA-N 1 1 289.379 2.505 20 30 CFEDMO CCOc1ccccc1NC(=O)CC[N@@H+](C)C[C@@H](C)C#N 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CN(Cc1ccc(C#N)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271046581 385318862 /nfs/dbraw/zinc/31/88/62/385318862.db2.gz RNUBLZPFINMFTH-INIZCTEOSA-N 1 1 295.386 2.858 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](CCC)OC ZINC000639162974 385266062 /nfs/dbraw/zinc/26/60/62/385266062.db2.gz VPMHLPIXZRMZIU-CQSZACIVSA-N 1 1 281.396 2.965 20 30 CFEDMO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000282285894 385271727 /nfs/dbraw/zinc/27/17/27/385271727.db2.gz IPFMGPVTEZBVKD-SWLSCSKDSA-N 1 1 274.364 2.566 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000270967494 385286931 /nfs/dbraw/zinc/28/69/31/385286931.db2.gz PCXZZTNJYDFBLJ-ZDUSSCGKSA-N 1 1 284.197 2.990 20 30 CFEDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000282395435 385301028 /nfs/dbraw/zinc/30/10/28/385301028.db2.gz RISWNVRFUXQZJT-KRWDZBQOSA-N 1 1 288.391 2.694 20 30 CFEDMO CCCC[N@@H+](CCOC)Cc1ccc(C#N)c(OC)c1 ZINC000282395400 385301037 /nfs/dbraw/zinc/30/10/37/385301037.db2.gz RIQMWSWEQZSBCM-UHFFFAOYSA-N 1 1 276.380 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C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000548487411 394934832 /nfs/dbraw/zinc/93/48/32/394934832.db2.gz PFIXVBSDHGSTCP-AWEZNQCLSA-N 1 1 264.756 2.558 20 30 CFEDMO C[C@@]1(CO)CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000548487411 394934835 /nfs/dbraw/zinc/93/48/35/394934835.db2.gz PFIXVBSDHGSTCP-AWEZNQCLSA-N 1 1 264.756 2.558 20 30 CFEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000556885362 395023257 /nfs/dbraw/zinc/02/32/57/395023257.db2.gz XBDKBLYKJHIPQU-ZIAGYGMSSA-N 1 1 264.394 2.745 20 30 CFEDMO C=CCOc1cccc(CN2CC[C@@H]([NH3+])[C@@H](CC)C2)c1 ZINC000647498243 395362103 /nfs/dbraw/zinc/36/21/03/395362103.db2.gz DBINTGLOYGDFRX-DOTOQJQBSA-N 1 1 274.408 2.811 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+](C)Cc1ccc(F)cc1Cl ZINC000649302222 395470621 /nfs/dbraw/zinc/47/06/21/395470621.db2.gz SQRCIGAYUZFCIO-ZDUSSCGKSA-N 1 1 257.736 2.848 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000649302222 395470624 /nfs/dbraw/zinc/47/06/24/395470624.db2.gz SQRCIGAYUZFCIO-ZDUSSCGKSA-N 1 1 257.736 2.848 20 30 CFEDMO C=CCCCC[N@H+](C)C1CCN(c2cnccn2)CC1 ZINC000649516469 395515525 /nfs/dbraw/zinc/51/55/25/395515525.db2.gz BMNRKWYFYDIUCA-UHFFFAOYSA-N 1 1 274.412 2.734 20 30 CFEDMO C=CCCCC[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000649588964 395533162 /nfs/dbraw/zinc/53/31/62/395533162.db2.gz RRQNNVBJLYCXFK-MNOVXSKESA-N 1 1 251.292 2.994 20 30 CFEDMO C=CCCCC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000649588964 395533166 /nfs/dbraw/zinc/53/31/66/395533166.db2.gz RRQNNVBJLYCXFK-MNOVXSKESA-N 1 1 251.292 2.994 20 30 CFEDMO C=CCCCC[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000649456350 395501539 /nfs/dbraw/zinc/50/15/39/395501539.db2.gz LQUCCMAPDOSDQI-KRWDZBQOSA-N 1 1 270.376 2.939 20 30 CFEDMO OC1(C2CC[NH+](CC#Cc3ccccc3Cl)CC2)CC1 ZINC000649671231 395550123 /nfs/dbraw/zinc/55/01/23/395550123.db2.gz OCBTYGSOKHFDBP-UHFFFAOYSA-N 1 1 289.806 2.928 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000649834229 395579099 /nfs/dbraw/zinc/57/90/99/395579099.db2.gz GNXYPNSBWDDTEJ-GOEBONIOSA-N 1 1 259.393 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155153289 /nfs/dbraw/zinc/15/32/89/155153289.db2.gz QXTLNNNTQYBANZ-UHFFFAOYSA-N 1 1 257.362 2.689 20 30 CFEDMO CCC[N@H+](Cc1ccc(CC#N)cc1)[C@@H](C)C(=O)OCC ZINC000411639464 413233220 /nfs/dbraw/zinc/23/32/20/413233220.db2.gz APQRMJYDTRLPCQ-AWEZNQCLSA-N 1 1 288.391 2.916 20 30 CFEDMO CCC[N@@H+](Cc1ccc(CC#N)cc1)[C@@H](C)C(=O)OCC ZINC000411639464 413233229 /nfs/dbraw/zinc/23/32/29/413233229.db2.gz APQRMJYDTRLPCQ-AWEZNQCLSA-N 1 1 288.391 2.916 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2CCO)c(C(F)(F)F)c1 ZINC000356420682 155259790 /nfs/dbraw/zinc/25/97/90/155259790.db2.gz SVVVKXHHGZPNMW-ZDUSSCGKSA-N 1 1 298.308 2.924 20 30 CFEDMO C=CC[N@@H+](CCOC)CCSc1cccc(OC)c1 ZINC000660404422 413289298 /nfs/dbraw/zinc/28/92/98/413289298.db2.gz ZGVDALPMJKZTHU-UHFFFAOYSA-N 1 1 281.421 2.922 20 30 CFEDMO C[N@H+]1CCCC(C)(C)[C@H]1CNc1nccc(C#N)c1Cl ZINC000343057018 154097890 /nfs/dbraw/zinc/09/78/90/154097890.db2.gz ZZFIADUECGLRQJ-GFCCVEGCSA-N 1 1 292.814 2.561 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2cn3ccccc3n2)s1 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Cc1ccc(C[N@H+](CCO)Cc2ccc(C#N)c(C)c2)o1 ZINC000355650985 155054979 /nfs/dbraw/zinc/05/49/79/155054979.db2.gz NWNDZPCEOGPEJC-UHFFFAOYSA-N 1 1 284.359 2.763 20 30 CFEDMO Cc1ccc(C[N@@H+](CCO)Cc2ccc(C#N)c(C)c2)o1 ZINC000355650985 155054982 /nfs/dbraw/zinc/05/49/82/155054982.db2.gz NWNDZPCEOGPEJC-UHFFFAOYSA-N 1 1 284.359 2.763 20 30 CFEDMO CC[N@@H+](CCNC(=O)[C@H](C)c1cccc(C#N)c1)C(C)C ZINC000360137544 156030095 /nfs/dbraw/zinc/03/00/95/156030095.db2.gz VAOUSYKEEHSVNQ-CQSZACIVSA-N 1 1 287.407 2.508 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000360144283 156033924 /nfs/dbraw/zinc/03/39/24/156033924.db2.gz UYKYHSOMUIZXNM-KGLIPLIRSA-N 1 1 287.407 2.508 20 30 CFEDMO C[C@H](C(=O)NCC[N@@H+](C)C1CCCC1)c1cccc(C#N)c1 ZINC000360148721 156035056 /nfs/dbraw/zinc/03/50/56/156035056.db2.gz GNURAXPZLJAPNN-AWEZNQCLSA-N 1 1 299.418 2.652 20 30 CFEDMO CCCC(=O)N1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000362933108 156118663 /nfs/dbraw/zinc/11/86/63/156118663.db2.gz 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ZINC000367296661 156309859 /nfs/dbraw/zinc/30/98/59/156309859.db2.gz RNMMIOFWXXSRJN-AWEZNQCLSA-N 1 1 297.402 2.562 20 30 CFEDMO CC[C@H](C)NC(=O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000367296661 156309862 /nfs/dbraw/zinc/30/98/62/156309862.db2.gz RNMMIOFWXXSRJN-AWEZNQCLSA-N 1 1 297.402 2.562 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)s1 ZINC000367475436 156337880 /nfs/dbraw/zinc/33/78/80/156337880.db2.gz XQYGFWDEISVWJF-LBPRGKRZSA-N 1 1 284.388 2.789 20 30 CFEDMO C=CCCn1cc(C[N@H+]([C@H](C)C2CC2)C2CC2)nn1 ZINC000653496349 413331790 /nfs/dbraw/zinc/33/17/90/413331790.db2.gz OFOPMXIKTLOURX-GFCCVEGCSA-N 1 1 260.385 2.617 20 30 CFEDMO C=CCCn1cc(C[N@H+](C)[C@H]2CCC[C@H](C)C2)nn1 ZINC000653496414 413333279 /nfs/dbraw/zinc/33/32/79/413333279.db2.gz PVSKLIKFDSNINY-ZFWWWQNUSA-N 1 1 262.401 2.865 20 30 CFEDMO N#Cc1ccc2ncc(C[N@H+]3CC[C@H](c4ccco4)C3)n2c1 ZINC000371331403 156761717 /nfs/dbraw/zinc/76/17/17/156761717.db2.gz HLGDHPZAKJZQJC-AWEZNQCLSA-N 1 1 292.342 2.788 20 30 CFEDMO C=CCOc1cccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000657208946 413339977 /nfs/dbraw/zinc/33/99/77/413339977.db2.gz JFPPPIVNMMGEFX-WBVHZDCISA-N 1 1 273.376 2.862 20 30 CFEDMO C[N@@H+](C[C@@H]1CC12CCN(c1cnccc1C#N)CC2)C1CC1 ZINC000374258732 157088417 /nfs/dbraw/zinc/08/84/17/157088417.db2.gz WXNSOQXRQZURCT-HNNXBMFYSA-N 1 1 296.418 2.654 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCCC23CCOCC3)ccc1F ZINC000374289675 157094677 /nfs/dbraw/zinc/09/46/77/157094677.db2.gz VYFUDDAHTFWCIC-UHFFFAOYSA-N 1 1 274.339 2.842 20 30 CFEDMO COCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374312097 157098282 /nfs/dbraw/zinc/09/82/82/157098282.db2.gz UJUYDNWZDAHSLK-UHFFFAOYSA-N 1 1 256.349 2.684 20 30 CFEDMO COc1cc(C[N@@H+]2CCC[C@@H](OC)CC2)ccc1C#N ZINC000375585853 157256724 /nfs/dbraw/zinc/25/67/24/157256724.db2.gz VJZAOJJQSQFPET-OAHLLOKOSA-N 1 1 274.364 2.568 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CCC[C@H]2C(C)(C)C)nn1 ZINC000653545891 413360353 /nfs/dbraw/zinc/36/03/53/413360353.db2.gz QJRPOMHXCVTKOH-AWEZNQCLSA-N 1 1 262.401 2.865 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CCC[C@H]3CCC[C@@H]32)nn1 ZINC000653559824 413367717 /nfs/dbraw/zinc/36/77/17/413367717.db2.gz WPLCHYYDCIPIFM-HIFRSBDPSA-N 1 1 260.385 2.619 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)nn1 ZINC000653559826 413368032 /nfs/dbraw/zinc/36/80/32/413368032.db2.gz WPLCHYYDCIPIFM-ZFWWWQNUSA-N 1 1 260.385 2.619 20 30 CFEDMO C=CCCn1cc(C[N@H+]2C[C@H](C)CCC[C@H]2C)nn1 ZINC000653559138 413370143 /nfs/dbraw/zinc/37/01/43/413370143.db2.gz KKEXAXBEYZMUDG-ZIAGYGMSSA-N 1 1 262.401 2.865 20 30 CFEDMO C=CC[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000660571464 413404146 /nfs/dbraw/zinc/40/41/46/413404146.db2.gz OEWDANWNNASHOG-PMPSAXMXSA-N 1 1 291.439 2.611 20 30 CFEDMO C=CCCn1cc(C[N@H+](C)[C@@H]2CCCC[C@H]2C)nn1 ZINC000653632344 413415374 /nfs/dbraw/zinc/41/53/74/413415374.db2.gz QDOLVHRXDIVFBC-UKRRQHHQSA-N 1 1 262.401 2.865 20 30 CFEDMO C=CCCn1cc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)nn1 ZINC000653637301 413418846 /nfs/dbraw/zinc/41/88/46/413418846.db2.gz AQKBEALHANMNQE-MGPQQGTHSA-N 1 1 262.401 2.721 20 30 CFEDMO C=CCCn1cc(C[NH2+]Cc2ccc(C)cc2C)nn1 ZINC000657315157 413438734 /nfs/dbraw/zinc/43/87/34/413438734.db2.gz MYUATFFACXNFHS-UHFFFAOYSA-N 1 1 270.380 2.761 20 30 CFEDMO Cn1cc([C@@H]([NH2+]Cc2ccc(C#N)o2)C(C)(C)C)cn1 ZINC000344765364 162117697 /nfs/dbraw/zinc/11/76/97/162117697.db2.gz HEHVUPGAUOLDFE-CQSZACIVSA-N 1 1 272.352 2.762 20 30 CFEDMO C=CCCNC(=O)NC[C@H]1CCCC[N@@H+]1CCCC ZINC000660623959 413440731 /nfs/dbraw/zinc/44/07/31/413440731.db2.gz VOECSFLEHPDTQK-CQSZACIVSA-N 1 1 267.417 2.516 20 30 CFEDMO CO[C@H](C)C[N@@H+](Cc1cc(F)ccc1C#N)C(C)C ZINC000345901702 162272230 /nfs/dbraw/zinc/27/22/30/162272230.db2.gz OKIVNYMQGMFFLR-GFCCVEGCSA-N 1 1 264.344 2.943 20 30 CFEDMO C[C@]1(CCCO)CCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000345959216 162284889 /nfs/dbraw/zinc/28/48/89/162284889.db2.gz YPYWAWBOZZSNKD-MRXNPFEDSA-N 1 1 276.355 2.824 20 30 CFEDMO CC[N@H+]1C[C@@H](C)N(Cc2ccc(C#N)cc2F)C[C@H]1C ZINC000346195583 162349340 /nfs/dbraw/zinc/34/93/40/162349340.db2.gz RZBMXZLCJAQKGS-CHWSQXEVSA-N 1 1 275.371 2.612 20 30 CFEDMO COC(=O)c1ccc(C[NH2+]Cc2ccc(C#N)c(C)c2)o1 ZINC000349329636 162967258 /nfs/dbraw/zinc/96/72/58/162967258.db2.gz IFTZNMIIGJRILA-UHFFFAOYSA-N 1 1 284.315 2.536 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)nn1 ZINC000653705783 413454950 /nfs/dbraw/zinc/45/49/50/413454950.db2.gz ISONMCHTDWMWAO-HUUCEWRRSA-N 1 1 274.412 2.865 20 30 CFEDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2cccc(C#N)c2F)C1 ZINC000351633468 163161639 /nfs/dbraw/zinc/16/16/39/163161639.db2.gz ZDQSEDXLBMLSOV-WFASDCNBSA-N 1 1 276.355 2.680 20 30 CFEDMO COc1ccc(C[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)cc1C#N ZINC000351628342 163162189 /nfs/dbraw/zinc/16/21/89/163162189.db2.gz JKFPYWCAQFJOPT-CJNGLKHVSA-N 1 1 288.391 2.550 20 30 CFEDMO C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2ccc(C#N)c(F)c2)C1 ZINC000351645186 163165312 /nfs/dbraw/zinc/16/53/12/163165312.db2.gz CQPVSMLSWTZBJK-IUODEOHRSA-N 1 1 276.355 2.680 20 30 CFEDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2cccc(C#N)c2)C1 ZINC000351644982 163167027 /nfs/dbraw/zinc/16/70/27/163167027.db2.gz BPAMLQIIWVJPOL-XJKSGUPXSA-N 1 1 258.365 2.541 20 30 CFEDMO C[C@H](F)CC[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000351761964 163191224 /nfs/dbraw/zinc/19/12/24/163191224.db2.gz YSPBVJVTTHVHRV-SWLSCSKDSA-N 1 1 262.328 2.680 20 30 CFEDMO C[C@H](F)CC[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000351761964 163191225 /nfs/dbraw/zinc/19/12/25/163191225.db2.gz YSPBVJVTTHVHRV-SWLSCSKDSA-N 1 1 262.328 2.680 20 30 CFEDMO COc1c(O)cccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000352685214 163223343 /nfs/dbraw/zinc/22/33/43/163223343.db2.gz RSQBOMQSLPSXAJ-UHFFFAOYSA-N 1 1 268.316 2.562 20 30 CFEDMO C[C@H]1CCCC[C@@H]1OCC[NH2+]Cc1nc(C#N)cs1 ZINC000352833237 163246265 /nfs/dbraw/zinc/24/62/65/163246265.db2.gz HNQFEPLJFWGOFZ-AAEUAGOBSA-N 1 1 279.409 2.700 20 30 CFEDMO Cn1ccnc1[C@H]([NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000353036734 163292918 /nfs/dbraw/zinc/29/29/18/163292918.db2.gz HUXGIUOTGWJZJS-CYBMUJFWSA-N 1 1 272.377 2.594 20 30 CFEDMO CCC[N@@H+](CC)C[C@H](C)NCc1cc(C#N)cs1 ZINC000353117412 163309537 /nfs/dbraw/zinc/30/95/37/163309537.db2.gz MHLBUJBYNPFTIC-LBPRGKRZSA-N 1 1 265.426 2.830 20 30 CFEDMO CCCN(CC)C[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000353117412 163309538 /nfs/dbraw/zinc/30/95/38/163309538.db2.gz MHLBUJBYNPFTIC-LBPRGKRZSA-N 1 1 265.426 2.830 20 30 CFEDMO CCC[N@@H+]1CCC[C@H]1CNCc1cccc(C#N)c1 ZINC000353137952 163313555 /nfs/dbraw/zinc/31/35/55/163313555.db2.gz MPGXKCKUXKQQPU-INIZCTEOSA-N 1 1 257.381 2.522 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1CNCc1cccc(C#N)c1 ZINC000353137952 163313556 /nfs/dbraw/zinc/31/35/56/163313556.db2.gz MPGXKCKUXKQQPU-INIZCTEOSA-N 1 1 257.381 2.522 20 30 CFEDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(C#N)cc1OC(F)F ZINC000353259055 163331691 /nfs/dbraw/zinc/33/16/91/163331691.db2.gz VLLBFOKNNLLJAB-SNVBAGLBSA-N 1 1 284.306 2.626 20 30 CFEDMO Cc1nocc1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000353549646 163391527 /nfs/dbraw/zinc/39/15/27/163391527.db2.gz LEWBYHZDNUQZAY-UHFFFAOYSA-N 1 1 285.347 2.503 20 30 CFEDMO Cc1nocc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000353549646 163391529 /nfs/dbraw/zinc/39/15/29/163391529.db2.gz LEWBYHZDNUQZAY-UHFFFAOYSA-N 1 1 285.347 2.503 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOCC2(CC2)C1 ZINC000335315593 287131529 /nfs/dbraw/zinc/13/15/29/287131529.db2.gz KDBGCJPHQCGGFS-ZDUSSCGKSA-N 1 1 256.349 2.732 20 30 CFEDMO CC1=C[C@H](C)C[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337229701 262440737 /nfs/dbraw/zinc/44/07/37/262440737.db2.gz HTRXJFUHWBNILP-AWEZNQCLSA-N 1 1 262.397 2.985 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425503490 287141850 /nfs/dbraw/zinc/14/18/50/287141850.db2.gz JATXLKRAQAXYFU-XJKSGUPXSA-N 1 1 281.363 2.548 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335410239 287142208 /nfs/dbraw/zinc/14/22/08/287142208.db2.gz ZSNUUJCJYJKCNF-BBRMVZONSA-N 1 1 288.416 2.827 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335410239 287142211 /nfs/dbraw/zinc/14/22/11/287142211.db2.gz ZSNUUJCJYJKCNF-BBRMVZONSA-N 1 1 288.416 2.827 20 30 CFEDMO C=C(C)CN(C)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000653741544 413474028 /nfs/dbraw/zinc/47/40/28/413474028.db2.gz UGQBNFIRBUEDDK-AWEZNQCLSA-N 1 1 280.799 2.977 20 30 CFEDMO CC[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@@H](C)[S@]1=O ZINC000352890869 287193353 /nfs/dbraw/zinc/19/33/53/287193353.db2.gz BFLUXUOHABBGJH-VFVRVIDISA-N 1 1 270.442 2.548 20 30 CFEDMO CC[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@@H](C)[S@]1=O ZINC000352890869 287193357 /nfs/dbraw/zinc/19/33/57/287193357.db2.gz BFLUXUOHABBGJH-VFVRVIDISA-N 1 1 270.442 2.548 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCSc1cc(C#N)ccn1 ZINC000284275282 196019028 /nfs/dbraw/zinc/01/90/28/196019028.db2.gz PZPDEJYAGFKMQD-ZDUSSCGKSA-N 1 1 261.394 2.920 20 30 CFEDMO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1c1nccc(C#N)c1Cl ZINC000342848469 287232060 /nfs/dbraw/zinc/23/20/60/287232060.db2.gz LVZCSJNKWTWFPT-OLZOCXBDSA-N 1 1 290.798 2.670 20 30 CFEDMO CC(C)[C@H](C[NH2+]Cc1cccc(C#N)c1)N1CCCC1 ZINC000020200655 171064964 /nfs/dbraw/zinc/06/49/64/171064964.db2.gz AMPFZGSANHPQCM-KRWDZBQOSA-N 1 1 271.408 2.768 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000284723386 196118867 /nfs/dbraw/zinc/11/88/67/196118867.db2.gz JVQXJMJLDWKYGX-HOTGVXAUSA-N 1 1 256.349 2.702 20 30 CFEDMO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccc2c(c1)OCO2 ZINC000030535801 171618040 /nfs/dbraw/zinc/61/80/40/171618040.db2.gz QGPRMWSXHFFQKK-VXGBXAGGSA-N 1 1 271.320 2.509 20 30 CFEDMO C=CCCn1cc(C[N@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)nn1 ZINC000653755150 413481835 /nfs/dbraw/zinc/48/18/35/413481835.db2.gz MGHDRYCEOUFXRO-YALNPMBYSA-N 1 1 286.423 2.722 20 30 CFEDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)ccc1C#N ZINC000285059633 196187979 /nfs/dbraw/zinc/18/79/79/196187979.db2.gz LOHHZWPQSATENV-CVEARBPZSA-N 1 1 286.375 2.710 20 30 CFEDMO Cc1ccc(C[N@@H+](C)CCOc2cccc(C#N)c2)o1 ZINC000035699731 172367947 /nfs/dbraw/zinc/36/79/47/172367947.db2.gz 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CC[NH+](CC)C[C@H]1CCN(CCCC(C)(C)C#N)C1 ZINC000174879668 261200838 /nfs/dbraw/zinc/20/08/38/261200838.db2.gz ZIPQOJJRCNASPJ-OAHLLOKOSA-N 1 1 265.445 2.980 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000248901872 261217221 /nfs/dbraw/zinc/21/72/21/261217221.db2.gz VRSYGPOUJRIOBJ-IRXDYDNUSA-N 1 1 255.361 2.539 20 30 CFEDMO C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000490918598 261246723 /nfs/dbraw/zinc/24/67/23/261246723.db2.gz XNRYEXFQPBDKMK-LBPRGKRZSA-N 1 1 288.819 2.976 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000490918598 261246725 /nfs/dbraw/zinc/24/67/25/261246725.db2.gz XNRYEXFQPBDKMK-LBPRGKRZSA-N 1 1 288.819 2.976 20 30 CFEDMO C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000490918597 261247066 /nfs/dbraw/zinc/24/70/66/261247066.db2.gz XNRYEXFQPBDKMK-GFCCVEGCSA-N 1 1 288.819 2.976 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000490918597 261247067 /nfs/dbraw/zinc/24/70/67/261247067.db2.gz XNRYEXFQPBDKMK-GFCCVEGCSA-N 1 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/nfs/dbraw/zinc/01/67/33/262016733.db2.gz RPSQYTCDFPZDAR-UHFFFAOYSA-N 1 1 268.288 2.750 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184329407 262016734 /nfs/dbraw/zinc/01/67/34/262016734.db2.gz RPSQYTCDFPZDAR-UHFFFAOYSA-N 1 1 268.288 2.750 20 30 CFEDMO N#CC1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000186887873 262115038 /nfs/dbraw/zinc/11/50/38/262115038.db2.gz SVEHXCJREVKTFE-CQSZACIVSA-N 1 1 282.746 2.748 20 30 CFEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC1(C#N)CC1 ZINC000497248627 262124234 /nfs/dbraw/zinc/12/42/34/262124234.db2.gz YHPOEVVNFCWFAE-QWHCGFSZSA-N 1 1 293.411 2.668 20 30 CFEDMO C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC1(C#N)CC1 ZINC000497248627 262124235 /nfs/dbraw/zinc/12/42/35/262124235.db2.gz YHPOEVVNFCWFAE-QWHCGFSZSA-N 1 1 293.411 2.668 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000311293553 262224422 /nfs/dbraw/zinc/22/44/22/262224422.db2.gz JDGAQIATSFZNRW-LBPRGKRZSA-N 1 1 278.318 2.706 20 30 CFEDMO N#CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000364393066 262226932 /nfs/dbraw/zinc/22/69/32/262226932.db2.gz IVJMDNOYAMRIAB-DLBZAZTESA-N 1 1 297.402 2.556 20 30 CFEDMO C=CC1CC[NH+](CC(=O)Nc2ccccc2OC)CC1 ZINC000111258860 262258851 /nfs/dbraw/zinc/25/88/51/262258851.db2.gz QUDFGTLCKSJTPT-UHFFFAOYSA-N 1 1 274.364 2.532 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000364872624 262263644 /nfs/dbraw/zinc/26/36/44/262263644.db2.gz MWGKOFVDZJCHHQ-UHFFFAOYSA-N 1 1 297.402 2.561 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000365116569 262279301 /nfs/dbraw/zinc/27/93/01/262279301.db2.gz KDFOOXUIEBCTPD-MRXNPFEDSA-N 1 1 299.418 2.807 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000365172804 262282119 /nfs/dbraw/zinc/28/21/19/262282119.db2.gz VTXKJZIPMVMKTR-CQSZACIVSA-N 1 1 289.379 2.514 20 30 CFEDMO C#CCC[N@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000365172804 262282120 /nfs/dbraw/zinc/28/21/20/262282120.db2.gz VTXKJZIPMVMKTR-CQSZACIVSA-N 1 1 289.379 2.514 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000365278437 262357617 /nfs/dbraw/zinc/35/76/17/262357617.db2.gz VYYLIOJCOVOQJC-LJQANCHMSA-N 1 1 276.383 2.998 20 30 CFEDMO C=CC[N@H+](CCC(=O)NCC)CC1CCCCC1 ZINC000069860188 262378164 /nfs/dbraw/zinc/37/81/64/262378164.db2.gz NMIACTSUYNZDHE-UHFFFAOYSA-N 1 1 252.402 2.581 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000336693530 262380558 /nfs/dbraw/zinc/38/05/58/262380558.db2.gz BSJUOTAZEBHPHR-UONOGXRCSA-N 1 1 250.386 2.675 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336700169 262380960 /nfs/dbraw/zinc/38/09/60/262380960.db2.gz FNDHHMLXRSGFBC-ZIAGYGMSSA-N 1 1 250.386 2.817 20 30 CFEDMO COCCO[C@H]1CCC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000336828135 262398267 /nfs/dbraw/zinc/39/82/67/262398267.db2.gz UHFYYOKWHBXUDS-HNNXBMFYSA-N 1 1 282.428 2.834 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](Cc3ccccc3)[C@H]2C)C1=O ZINC000337196832 262431883 /nfs/dbraw/zinc/43/18/83/262431883.db2.gz WQBYXSFRSDWYSF-NJAFHUGGSA-N 1 1 298.430 2.726 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000337423081 262450854 /nfs/dbraw/zinc/45/08/54/262450854.db2.gz BWPLSZXDOBLLOU-AWEZNQCLSA-N 1 1 260.381 2.714 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](c2ncc(C)s2)C1 ZINC000366180614 262565901 /nfs/dbraw/zinc/56/59/01/262565901.db2.gz WDGRMARKRFPIJY-KBPBESRZSA-N 1 1 280.437 2.958 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cn(-c2ccccc2)nn1 ZINC000339088280 262594023 /nfs/dbraw/zinc/59/40/23/262594023.db2.gz VQMJGWZQBRMCRM-BFHYXJOUSA-N 1 1 281.363 2.610 20 30 CFEDMO CCOC(=O)C(C)(C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000339786248 262673554 /nfs/dbraw/zinc/67/35/54/262673554.db2.gz FKKVMCDVLJRXIS-UHFFFAOYSA-N 1 1 268.401 2.980 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)[C@H](C(=O)OC)C1CC1 ZINC000411186990 262682554 /nfs/dbraw/zinc/68/25/54/262682554.db2.gz AIMKOFDKMPQQET-INIZCTEOSA-N 1 1 273.376 2.669 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C(=O)OC)C1CC1 ZINC000411186990 262682555 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C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000181298116 329230355 /nfs/dbraw/zinc/23/03/55/329230355.db2.gz XZRPUFTZGIDFDM-AWEZNQCLSA-N 1 1 272.392 2.862 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N1CCCc2ccccc21 ZINC000181298116 329230357 /nfs/dbraw/zinc/23/03/57/329230357.db2.gz XZRPUFTZGIDFDM-AWEZNQCLSA-N 1 1 272.392 2.862 20 30 CFEDMO C=C(C)C[N@@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000181310167 329230783 /nfs/dbraw/zinc/23/07/83/329230783.db2.gz AVVKMSKIRSIPFQ-NSHDSACASA-N 1 1 258.325 2.701 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000181310167 329230784 /nfs/dbraw/zinc/23/07/84/329230784.db2.gz AVVKMSKIRSIPFQ-NSHDSACASA-N 1 1 258.325 2.701 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N(C)CC1CCCCC1 ZINC000181304690 329230801 /nfs/dbraw/zinc/23/08/01/329230801.db2.gz CSTIRHHVOHIKJW-UHFFFAOYSA-N 1 1 252.402 2.533 20 30 CFEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000181312249 329231061 /nfs/dbraw/zinc/23/10/61/329231061.db2.gz PNYQWZGQLWRTON-JTQLQIEISA-N 1 1 268.307 2.800 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000181312249 329231062 /nfs/dbraw/zinc/23/10/62/329231062.db2.gz PNYQWZGQLWRTON-JTQLQIEISA-N 1 1 268.307 2.800 20 30 CFEDMO CC#CCCCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000185254490 329269590 /nfs/dbraw/zinc/26/95/90/329269590.db2.gz HXCYROMXWSRKOP-HNNXBMFYSA-N 1 1 278.440 2.807 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000185330832 329270723 /nfs/dbraw/zinc/27/07/23/329270723.db2.gz NEUBMUSYEPLGOI-LSDHHAIUSA-N 1 1 266.429 2.825 20 30 CFEDMO C#CCC(C)(C)C(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000185817995 329329591 /nfs/dbraw/zinc/32/95/91/329329591.db2.gz UNZDISOXUCBFOF-UHFFFAOYSA-N 1 1 299.418 2.525 20 30 CFEDMO CC(C)(C)OC(=O)N1CCC[N@@H+](CCCCC#N)CC1 ZINC000102397691 329362253 /nfs/dbraw/zinc/36/22/53/329362253.db2.gz CZXINQKTQPOMTP-UHFFFAOYSA-N 1 1 281.400 2.623 20 30 CFEDMO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000188284231 329367376 /nfs/dbraw/zinc/36/73/76/329367376.db2.gz GDJHLVBTBILAQJ-OAHLLOKOSA-N 1 1 252.402 2.579 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192352488 329431491 /nfs/dbraw/zinc/43/14/91/329431491.db2.gz LCUARLXDCFLGID-SWLSCSKDSA-N 1 1 269.348 2.803 20 30 CFEDMO CC[C@H](CC#N)[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000584538572 329518356 /nfs/dbraw/zinc/51/83/56/329518356.db2.gz VIWYITFPNGPCBK-KJWHEZOQSA-N 1 1 279.428 2.598 20 30 CFEDMO CC(C)c1cccc(NC(=[NH2+])NCc2n[nH]c(C3CC3)n2)c1 ZINC000263113504 330044300 /nfs/dbraw/zinc/04/43/00/330044300.db2.gz LHGPQGBJTIVHGV-UHFFFAOYSA-N 1 1 298.394 2.732 20 30 CFEDMO COc1ccccc1[C@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000265671415 330062953 /nfs/dbraw/zinc/06/29/53/330062953.db2.gz AUCYQSPVJWSAJV-CABCVRRESA-N 1 1 283.375 2.928 20 30 CFEDMO COc1ccccc1[C@H]1CC[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000265671415 330062954 /nfs/dbraw/zinc/06/29/54/330062954.db2.gz AUCYQSPVJWSAJV-CABCVRRESA-N 1 1 283.375 2.928 20 30 CFEDMO C=CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000271351650 330079216 /nfs/dbraw/zinc/07/92/16/330079216.db2.gz DDYVTMNJSBFEMI-UHFFFAOYSA-N 1 1 263.312 2.884 20 30 CFEDMO C=CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C1CC1 ZINC000271351650 330079218 /nfs/dbraw/zinc/07/92/18/330079218.db2.gz DDYVTMNJSBFEMI-UHFFFAOYSA-N 1 1 263.312 2.884 20 30 CFEDMO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273356788 330090724 /nfs/dbraw/zinc/09/07/24/330090724.db2.gz CTBUFVSSSZFQIK-QWRGUYRKSA-N 1 1 263.337 2.794 20 30 CFEDMO C#CC[N@@H+](Cc1nc2ccccc2nc1C)C1CC1 ZINC000274138560 330103862 /nfs/dbraw/zinc/10/38/62/330103862.db2.gz JLFFNWOYRLVJFV-UHFFFAOYSA-N 1 1 251.333 2.536 20 30 CFEDMO C#CC[N@H+](Cc1nc2ccccc2nc1C)C1CC1 ZINC000274138560 330103863 /nfs/dbraw/zinc/10/38/63/330103863.db2.gz JLFFNWOYRLVJFV-UHFFFAOYSA-N 1 1 251.333 2.536 20 30 CFEDMO N#CCc1ccc(CN[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000580432013 330131609 /nfs/dbraw/zinc/13/16/09/330131609.db2.gz KKCKLLYSHZANII-HZPDHXFCSA-N 1 1 257.381 2.502 20 30 CFEDMO C[C@@H]1C[C@H](NCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000379646250 330145080 /nfs/dbraw/zinc/14/50/80/330145080.db2.gz FBDAUBZLQIKOQH-GDBMZVCRSA-N 1 1 257.381 2.543 20 30 CFEDMO C=CCOc1ccccc1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000422912462 330159945 /nfs/dbraw/zinc/15/99/45/330159945.db2.gz WEGITLGTIQQQEC-HOCLYGCPSA-N 1 1 274.408 2.729 20 30 CFEDMO C[C@H](N)[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000423154414 330173073 /nfs/dbraw/zinc/17/30/73/330173073.db2.gz HQUKVKHFDFPXOA-QSPRXWTASA-N 1 1 271.408 2.617 20 30 CFEDMO CCc1ccccc1[C@H]([NH3+])CN[C@H]1CCC[C@H](C#N)C1 ZINC000423505305 330208835 /nfs/dbraw/zinc/20/88/35/330208835.db2.gz OJXHLJZHAZYEOW-JLJPHGGASA-N 1 1 271.408 2.921 20 30 CFEDMO C=CCn1cc(C[NH2+]Cc2c(C)cc(C)cc2C)nn1 ZINC000424169689 330312046 /nfs/dbraw/zinc/31/20/46/330312046.db2.gz ITENXOLHBPQCFG-UHFFFAOYSA-N 1 1 270.380 2.679 20 30 CFEDMO CCC(C#N)(CC)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000528202618 330312909 /nfs/dbraw/zinc/31/29/09/330312909.db2.gz GEJTWRXTZZXCQG-UHFFFAOYSA-N 1 1 293.455 2.895 20 30 CFEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000424194747 330324467 /nfs/dbraw/zinc/32/44/67/330324467.db2.gz LVJGUGNJLZBGLB-OCCSQVGLSA-N 1 1 266.348 2.859 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)nn1 ZINC000424290714 330334697 /nfs/dbraw/zinc/33/46/97/330334697.db2.gz BXXJCJHGQPKASW-MRXNPFEDSA-N 1 1 286.354 2.844 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H](c2ccccc2)C(C)C)nn1 ZINC000424292329 330335081 /nfs/dbraw/zinc/33/50/81/330335081.db2.gz GMFVZQPJDUZCPF-MRXNPFEDSA-N 1 1 270.380 2.951 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H](CC)c2cccc(F)c2)nn1 ZINC000424294294 330335612 /nfs/dbraw/zinc/33/56/12/330335612.db2.gz KHXALDDEDBJZJT-OAHLLOKOSA-N 1 1 274.343 2.844 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(C)cc2)nn1 ZINC000424295712 330335942 /nfs/dbraw/zinc/33/59/42/330335942.db2.gz NEAHUXHNPPNNIR-ZDUSSCGKSA-N 1 1 256.353 2.623 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H]2CC(C)(C)c3ccccc32)nn1 ZINC000424301003 330337879 /nfs/dbraw/zinc/33/78/79/330337879.db2.gz YZOHIWWOCNLOHW-INIZCTEOSA-N 1 1 282.391 2.976 20 30 CFEDMO CCOC(=O)[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000087607092 330373737 /nfs/dbraw/zinc/37/37/37/330373737.db2.gz AKDPNGAEPQZKFP-CYBMUJFWSA-N 1 1 266.385 2.591 20 30 CFEDMO C=C(C)C(C)(C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000424549061 330374022 /nfs/dbraw/zinc/37/40/22/330374022.db2.gz VLMVQASALLRJAJ-GFCCVEGCSA-N 1 1 264.369 2.601 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@@H+](CC)[C@@H]1CCCC[C@@H]1C ZINC000120030005 330385163 /nfs/dbraw/zinc/38/51/63/330385163.db2.gz CUESXABUMLUZCL-LSDHHAIUSA-N 1 1 279.428 2.649 20 30 CFEDMO C=CC1CC[NH+](Cc2ccsc2C(=O)OC)CC1 ZINC000120855418 330393093 /nfs/dbraw/zinc/39/30/93/330393093.db2.gz LBASDRSKYQSWPJ-UHFFFAOYSA-N 1 1 265.378 2.933 20 30 CFEDMO C=CC[N@@H+](C)CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000121386053 330399762 /nfs/dbraw/zinc/39/97/62/330399762.db2.gz BQGBKEFMFMSBIW-ZDUSSCGKSA-N 1 1 278.421 2.702 20 30 CFEDMO C=CC[N@H+](C)CC(=O)N1CCc2sccc2[C@@H]1CC ZINC000121386053 330399763 /nfs/dbraw/zinc/39/97/63/330399763.db2.gz BQGBKEFMFMSBIW-ZDUSSCGKSA-N 1 1 278.421 2.702 20 30 CFEDMO Cc1c([C@H](C)[NH2+]CC2(CC#N)CC2)nnn1-c1ccccc1 ZINC000430749126 330572910 /nfs/dbraw/zinc/57/29/10/330572910.db2.gz TYWOGIVTHZKHJX-ZDUSSCGKSA-N 1 1 295.390 2.920 20 30 CFEDMO N#CCCC[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1 ZINC000433023949 330612809 /nfs/dbraw/zinc/61/28/09/330612809.db2.gz USEAJTTZOZMHQT-HNNXBMFYSA-N 1 1 296.378 2.533 20 30 CFEDMO N#CC1CCC(CNc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000440633448 330753127 /nfs/dbraw/zinc/75/31/27/330753127.db2.gz GPNBVHZDQDDIOQ-UHFFFAOYSA-N 1 1 299.422 2.631 20 30 CFEDMO COC(=O)[C@H](C)[C@@H]([NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC000450579041 330987744 /nfs/dbraw/zinc/98/77/44/330987744.db2.gz JEDXIHQCCWOCFX-UKRRQHHQSA-N 1 1 286.375 2.820 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1ccc(Cl)c(OC)c1 ZINC000450840112 331002098 /nfs/dbraw/zinc/00/20/98/331002098.db2.gz WMHVGJUBKBPOLI-UHFFFAOYSA-N 1 1 269.772 2.983 20 30 CFEDMO COCC[N@@H+](CC1(C#N)CCC1)[C@@H]1CCC[C@H]1C ZINC000450846827 331002512 /nfs/dbraw/zinc/00/25/12/331002512.db2.gz PKGYCIQHOGGSAL-ZIAGYGMSSA-N 1 1 250.386 2.817 20 30 CFEDMO COCC1(C#N)CC[NH+](Cc2cccc(C(C)=O)c2)CC1 ZINC000450932121 331007851 /nfs/dbraw/zinc/00/78/51/331007851.db2.gz RAQYBQYFOZGGMU-UHFFFAOYSA-N 1 1 286.375 2.641 20 30 CFEDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CC#Cc1ccccc1Cl ZINC000451253521 331022002 /nfs/dbraw/zinc/02/20/02/331022002.db2.gz JUPLUFNBBOZTKR-GOEBONIOSA-N 1 1 277.795 2.784 20 30 CFEDMO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000451319749 331024245 /nfs/dbraw/zinc/02/42/45/331024245.db2.gz IRQGJPIYPZRFEN-MRXNPFEDSA-N 1 1 286.419 2.837 20 30 CFEDMO C[C@@]12C[N@@H+](C[C@@H](C#N)CCC#N)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451369068 331026025 /nfs/dbraw/zinc/02/60/25/331026025.db2.gz NDIUFPLFFMXBRV-OWYFMNJBSA-N 1 1 255.365 2.574 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@H](OCC)[C@H](C)C1 ZINC000451522795 331032497 /nfs/dbraw/zinc/03/24/97/331032497.db2.gz ICQMLMGDTANFEB-OWCLPIDISA-N 1 1 296.455 2.546 20 30 CFEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000451562568 331034492 /nfs/dbraw/zinc/03/44/92/331034492.db2.gz JMJKSRZUJCKSSV-XJKSGUPXSA-N 1 1 258.365 2.609 20 30 CFEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ncc(Cl)cc1Cl ZINC000451611436 331036929 /nfs/dbraw/zinc/03/69/29/331036929.db2.gz WOCFESAEAKXDHE-PWSUYJOCSA-N 1 1 273.163 2.822 20 30 CFEDMO O[C@@H]1CC[C@@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000451701484 331039521 /nfs/dbraw/zinc/03/95/21/331039521.db2.gz QNOMXSQOHVOXMA-JFIYKMOQSA-N 1 1 287.378 2.660 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451699547 331039567 /nfs/dbraw/zinc/03/95/67/331039567.db2.gz VPGGTBDJONGGQA-ILXRZTDVSA-N 1 1 264.413 2.799 20 30 CFEDMO C=CC(C)(C)C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000451707190 331039810 /nfs/dbraw/zinc/03/98/10/331039810.db2.gz MRLNSUGJOKFIGL-UHFFFAOYSA-N 1 1 272.392 2.541 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@]2(CCS(=O)(=O)C2)C1 ZINC000451740071 331040674 /nfs/dbraw/zinc/04/06/74/331040674.db2.gz 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256.349 2.559 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344647905 526712230 /nfs/dbraw/zinc/71/22/30/526712230.db2.gz SUQKREBPRVGXGG-UONOGXRCSA-N 1 1 266.429 2.825 20 30 CFEDMO N#Cc1ccccc1C[NH2+][C@H]1c2ccccc2CC[C@H]1CO ZINC000365162314 526736474 /nfs/dbraw/zinc/73/64/74/526736474.db2.gz MMUSJFXIKAVZHF-PKOBYXMFSA-N 1 1 292.382 2.944 20 30 CFEDMO C#CCCOc1ccc(C[NH2+]Cc2cc(C)no2)cc1 ZINC000113336234 526745245 /nfs/dbraw/zinc/74/52/45/526745245.db2.gz QIRHUROOHGUPKD-UHFFFAOYSA-N 1 1 270.332 2.675 20 30 CFEDMO C=CCOCCC[N@H+](CC)C[C@@H]1COc2ccccc2O1 ZINC000347970855 526747821 /nfs/dbraw/zinc/74/78/21/526747821.db2.gz XJTJSJJWLCNXNS-OAHLLOKOSA-N 1 1 291.391 2.741 20 30 CFEDMO N#Cc1csc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000336113784 526781182 /nfs/dbraw/zinc/78/11/82/526781182.db2.gz VBYSCJUYCOHJIJ-AWEZNQCLSA-N 1 1 276.405 2.868 20 30 CFEDMO C=C(C)[C@H](CC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)OCC ZINC000344628660 526813783 /nfs/dbraw/zinc/81/37/83/526813783.db2.gz 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C=CCCC1(C(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000354600600 527087867 /nfs/dbraw/zinc/08/78/67/527087867.db2.gz SKQVJANIVLHKNK-CQSZACIVSA-N 1 1 264.413 2.723 20 30 CFEDMO C=CC[C@H](CC)NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000354644837 527154361 /nfs/dbraw/zinc/15/43/61/527154361.db2.gz UJVFCQYIBWFTLE-DZGCQCFKSA-N 1 1 279.428 2.657 20 30 CFEDMO Cn1cc(C[N@H+]2CCSC(C)(C)CC2)cc1C#N ZINC000336156168 527205405 /nfs/dbraw/zinc/20/54/05/527205405.db2.gz AOWBZRKGNOUMQP-UHFFFAOYSA-N 1 1 263.410 2.614 20 30 CFEDMO Cn1cc(C[N@@H+]2CCO[C@](C)(c3ccccc3)C2)cc1C#N ZINC000191353545 527205544 /nfs/dbraw/zinc/20/55/44/527205544.db2.gz HSMLTVKYPHDGCD-SFHVURJKSA-N 1 1 295.386 2.644 20 30 CFEDMO Cn1cc(C[N@H+]2CCO[C@](C)(c3ccccc3)C2)cc1C#N ZINC000191353545 527205547 /nfs/dbraw/zinc/20/55/47/527205547.db2.gz HSMLTVKYPHDGCD-SFHVURJKSA-N 1 1 295.386 2.644 20 30 CFEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000347346668 527263842 /nfs/dbraw/zinc/26/38/42/527263842.db2.gz HOWALRPOOZCZIG-NVXWUHKLSA-N 1 1 293.382 2.589 20 30 CFEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000347632211 527274502 /nfs/dbraw/zinc/27/45/02/527274502.db2.gz QXWSBIFNEWLGPU-HOCLYGCPSA-N 1 1 266.429 2.969 20 30 CFEDMO C=CCC[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1ccco1 ZINC000353407184 527445345 /nfs/dbraw/zinc/44/53/45/527445345.db2.gz WLDLOCFGXFCGFC-GFCCVEGCSA-N 1 1 264.369 2.791 20 30 CFEDMO CC(C)CCN(CCC#N)Cc1ncc(C[NH+](C)C)s1 ZINC000347781184 527715538 /nfs/dbraw/zinc/71/55/38/527715538.db2.gz GXEFXSWRDSCUDA-UHFFFAOYSA-N 1 1 294.468 2.966 20 30 CFEDMO CC(C)[C@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000442896463 527860127 /nfs/dbraw/zinc/86/01/27/527860127.db2.gz GINRLDUOLPGUEE-XJKSGUPXSA-N 1 1 258.365 2.976 20 30 CFEDMO CC(C)[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCO1 ZINC000442896463 527860135 /nfs/dbraw/zinc/86/01/35/527860135.db2.gz GINRLDUOLPGUEE-XJKSGUPXSA-N 1 1 258.365 2.976 20 30 CFEDMO CC(C)OCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425541592 527994198 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CC(C)[C@@H](C)NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425546413 528411403 /nfs/dbraw/zinc/41/14/03/528411403.db2.gz VZUVGNFHTHRXOZ-KGLIPLIRSA-N 1 1 287.407 2.712 20 30 CFEDMO CC(C)[C@@H](C)NC(=O)C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425546413 528411411 /nfs/dbraw/zinc/41/14/11/528411411.db2.gz VZUVGNFHTHRXOZ-KGLIPLIRSA-N 1 1 287.407 2.712 20 30 CFEDMO CC(C)c1nnc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)s1 ZINC000330208338 528413636 /nfs/dbraw/zinc/41/36/36/528413636.db2.gz AZZOIOVJQCNKJC-NSHDSACASA-N 1 1 294.424 2.745 20 30 CFEDMO CC(C)c1nnc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)s1 ZINC000330208338 528413643 /nfs/dbraw/zinc/41/36/43/528413643.db2.gz AZZOIOVJQCNKJC-NSHDSACASA-N 1 1 294.424 2.745 20 30 CFEDMO CC(C)C[C@H](CNCc1ccc(C#N)c(F)c1)[NH+](C)C ZINC000421333162 528531115 /nfs/dbraw/zinc/53/11/15/528531115.db2.gz NJWRNIWFIFDMFP-OAHLLOKOSA-N 1 1 277.387 2.763 20 30 CFEDMO CC(C)[N@@H+](C)CCNC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000356114495 528822336 /nfs/dbraw/zinc/82/23/36/528822336.db2.gz 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C=C(Br)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000747532416 574200739 /nfs/dbraw/zinc/20/07/39/574200739.db2.gz LAVAXOOSOUFPBT-GFCCVEGCSA-N 1 1 274.202 2.788 20 30 CFEDMO C#Cc1cccc(NC(=S)NCC[N@H+](CC)CCC)c1 ZINC000747661996 574205464 /nfs/dbraw/zinc/20/54/64/574205464.db2.gz OTCGLDNBQVCKIH-UHFFFAOYSA-N 1 1 289.448 2.686 20 30 CFEDMO CC[NH+](CC)C[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000729682181 574227508 /nfs/dbraw/zinc/22/75/08/574227508.db2.gz OUIISCKCNGSRLJ-HUUCEWRRSA-N 1 1 289.423 2.797 20 30 CFEDMO CC[C@H](C)C[N@H+](C)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000739913950 574229038 /nfs/dbraw/zinc/22/90/38/574229038.db2.gz FOYDDSYIIIKHIU-SWLSCSKDSA-N 1 1 274.364 2.750 20 30 CFEDMO CC[C@H](C)C[N@@H+](C)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000739913950 574229040 /nfs/dbraw/zinc/22/90/40/574229040.db2.gz FOYDDSYIIIKHIU-SWLSCSKDSA-N 1 1 274.364 2.750 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C1(c2ccccc2C)CC1 ZINC000729812366 574232598 /nfs/dbraw/zinc/23/25/98/574232598.db2.gz TUFFPMXLUYCNHZ-MRXNPFEDSA-N 1 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ZINC001024395264 618307228 /nfs/dbraw/zinc/30/72/28/618307228.db2.gz UQMKESRXCROPCQ-MRXNPFEDSA-N 1 1 289.423 2.576 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001024397930 618308174 /nfs/dbraw/zinc/30/81/74/618308174.db2.gz BMXXCAYYAWJILA-GJZGRUSLSA-N 1 1 278.440 2.969 20 30 CFEDMO CC1CCN(C(=O)CO[NH+]=C(N)C2CCCCCC2)CC1 ZINC000179005687 618310920 /nfs/dbraw/zinc/31/09/20/618310920.db2.gz UJBLBPPPZLHDTC-UHFFFAOYSA-N 1 1 295.427 2.504 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894092357 618321058 /nfs/dbraw/zinc/32/10/58/618321058.db2.gz YXFNNMLMASCSKY-MGPQQGTHSA-N 1 1 269.360 2.661 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C1C=CC=CC=C1 ZINC001024463674 618323148 /nfs/dbraw/zinc/32/31/48/618323148.db2.gz XNFIKBWHZYGPPT-QGZVFWFLSA-N 1 1 286.419 2.832 20 30 CFEDMO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@H+]1CCCCC(C)(C)C#N ZINC000930911585 618332438 /nfs/dbraw/zinc/33/24/38/618332438.db2.gz OLVFEKVRORZXCK-MCIONIFRSA-N 1 1 279.428 2.681 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC)o1 ZINC001024511384 618340800 /nfs/dbraw/zinc/34/08/00/618340800.db2.gz GSWFEYMVQRKAQV-ZDUSSCGKSA-N 1 1 276.380 2.612 20 30 CFEDMO CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(C#N)c1[O-] ZINC000924873672 618361002 /nfs/dbraw/zinc/36/10/02/618361002.db2.gz NREGUMCVUZAOMM-OAHLLOKOSA-N 1 1 284.363 2.510 20 30 CFEDMO Cc1cc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cnc1F ZINC000895141547 618374479 /nfs/dbraw/zinc/37/44/79/618374479.db2.gz KRJRNDGTTVDWQL-INIZCTEOSA-N 1 1 299.349 2.566 20 30 CFEDMO C[C@@]1(C#N)CC[N@H+](C2CC(OCc3ccccc3)C2)C1 ZINC000931062551 618400679 /nfs/dbraw/zinc/40/06/79/618400679.db2.gz KWCIHLYVNLQHGA-JCYILVPMSA-N 1 1 270.376 2.970 20 30 CFEDMO C#CCCCCCC[N@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000877531013 618413297 /nfs/dbraw/zinc/41/32/97/618413297.db2.gz HTPUMWJFTHSPBD-HZPDHXFCSA-N 1 1 250.430 2.842 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024610787 618414975 /nfs/dbraw/zinc/41/49/75/618414975.db2.gz YPDIQPSGUCBJNO-JKSUJKDBSA-N 1 1 290.451 2.807 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC1(C)C ZINC001024612128 618416733 /nfs/dbraw/zinc/41/67/33/618416733.db2.gz LFRBPOXDPUTELC-HUUCEWRRSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccn(CC)c1C ZINC001024617826 618420450 /nfs/dbraw/zinc/42/04/50/618420450.db2.gz LLLLRJYAVFTTMH-OAHLLOKOSA-N 1 1 289.423 2.587 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC001024617960 618421447 /nfs/dbraw/zinc/42/14/47/618421447.db2.gz NZAITXJEIYIJFX-JTQLQIEISA-N 1 1 299.827 2.567 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1nc(Cl)cs1 ZINC001024617960 618421451 /nfs/dbraw/zinc/42/14/51/618421451.db2.gz NZAITXJEIYIJFX-JTQLQIEISA-N 1 1 299.827 2.567 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1csc(C)n1 ZINC001024616015 618422051 /nfs/dbraw/zinc/42/20/51/618422051.db2.gz NVJMHYSHVYDLNZ-CYBMUJFWSA-N 1 1 293.436 2.612 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccoc1C1CC1 ZINC001024619944 618423326 /nfs/dbraw/zinc/42/33/26/618423326.db2.gz JDIUNFJHTNYWGF-AWEZNQCLSA-N 1 1 288.391 2.927 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1Cc2ccccc21 ZINC001024629235 618425834 /nfs/dbraw/zinc/42/58/34/618425834.db2.gz AAFRQJGPEZBNCH-WMZOPIPTSA-N 1 1 298.430 2.873 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CCNC(=S)Nc1ccccc1C#N ZINC000727088170 618430736 /nfs/dbraw/zinc/43/07/36/618430736.db2.gz COGMSZJDKXVQGM-GFCCVEGCSA-N 1 1 290.436 2.575 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024642600 618431112 /nfs/dbraw/zinc/43/11/12/618431112.db2.gz XKJVNSWMERFQBC-QLFBSQMISA-N 1 1 264.413 2.579 20 30 CFEDMO C=CCOc1ccc(CN[C@H]2C[C@@H]([NH3+])C23CCC3)cc1 ZINC000925665496 618431980 /nfs/dbraw/zinc/43/19/80/618431980.db2.gz LVNUFIABUGHKCM-CVEARBPZSA-N 1 1 272.392 2.611 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)cc1F ZINC001024673298 618438651 /nfs/dbraw/zinc/43/86/51/618438651.db2.gz ADMUAFWSAQJKEG-AWEZNQCLSA-N 1 1 290.382 2.904 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1F ZINC001024681642 618441827 /nfs/dbraw/zinc/44/18/27/618441827.db2.gz RCKSAMWTMAYQKD-CQSZACIVSA-N 1 1 290.382 2.904 20 30 CFEDMO C#CCN(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000726184215 618454014 /nfs/dbraw/zinc/45/40/14/618454014.db2.gz AGARDRRGXQPIQJ-NVXWUHKLSA-N 1 1 256.393 2.777 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024745198 618459687 /nfs/dbraw/zinc/45/96/87/618459687.db2.gz QDIPPLPHKAVFMB-HZPDHXFCSA-N 1 1 288.435 2.561 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)c1nocc1C ZINC001024746648 618459766 /nfs/dbraw/zinc/45/97/66/618459766.db2.gz HOCOPUARTFUBIE-AWEZNQCLSA-N 1 1 291.395 2.534 20 30 CFEDMO N#Cc1csc(C[N@H+]2CC[C@H]3CSC[C@@H]3C2)c1 ZINC000877738392 618460741 /nfs/dbraw/zinc/46/07/41/618460741.db2.gz KUQFPBDBEYXDAI-RYUDHWBXSA-N 1 1 264.419 2.805 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001024763526 618464055 /nfs/dbraw/zinc/46/40/55/618464055.db2.gz HSWANZSHJVBWHW-OKZBNKHCSA-N 1 1 298.430 2.947 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001024766369 618465180 /nfs/dbraw/zinc/46/51/80/618465180.db2.gz QKRTXLCJYCHJRI-JYJNAYRXSA-N 1 1 278.440 2.969 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(CC)cc1 ZINC001024787069 618468974 /nfs/dbraw/zinc/46/89/74/618468974.db2.gz WNXHEHXFAOVOTM-SFHVURJKSA-N 1 1 298.430 2.857 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](C[C@@H]2C[C@]2(C)Br)C1 ZINC000895206969 618471791 /nfs/dbraw/zinc/47/17/91/618471791.db2.gz YRTGLGBVZAXUGQ-WOPDTQHZSA-N 1 1 256.187 2.505 20 30 CFEDMO C#Cc1cccc(NC(=S)N[C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000726464303 618480609 /nfs/dbraw/zinc/48/06/09/618480609.db2.gz BFPXZNSUKCZAQX-HOTGVXAUSA-N 1 1 299.443 2.581 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+]([C@@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000895337074 618538775 /nfs/dbraw/zinc/53/87/75/618538775.db2.gz DKBDFJBWOOLOCF-QLFBSQMISA-N 1 1 283.387 2.908 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(C(=O)OC)c(C(C)C)[nH]2)C1 ZINC000895391597 618563957 /nfs/dbraw/zinc/56/39/57/618563957.db2.gz ZSQPUSPZPKAHFF-ZDUSSCGKSA-N 1 1 288.391 2.770 20 30 CFEDMO CC(C)CCC(N)=[NH+]OCC(=O)Nc1cc(F)cc(F)c1 ZINC000066374398 618609554 /nfs/dbraw/zinc/60/95/54/618609554.db2.gz XYYOOFVFINVZHP-UHFFFAOYSA-N 1 1 299.321 2.628 20 30 CFEDMO CCCCCCNC(=O)CO[NH+]=C(N)C1CCCCC1 ZINC000178148717 618627103 /nfs/dbraw/zinc/62/71/03/618627103.db2.gz QUTUZDVUFRCPNI-UHFFFAOYSA-N 1 1 283.416 2.552 20 30 CFEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc3occc3c2)C1 ZINC001007389608 618675682 /nfs/dbraw/zinc/67/56/82/618675682.db2.gz ABEHHOBVJGYVTE-OAHLLOKOSA-N 1 1 284.359 2.813 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000892670629 618689451 /nfs/dbraw/zinc/68/94/51/618689451.db2.gz VDKWQEHBEAQZFI-ZDUSSCGKSA-N 1 1 299.418 2.637 20 30 CFEDMO Cc1cc(F)c(C#N)c(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000892674840 618695662 /nfs/dbraw/zinc/69/56/62/618695662.db2.gz ZJSBQJCQDOXLLY-NWDGAFQWSA-N 1 1 261.344 2.900 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccsc1Cl)[C@H]1CCCO1 ZINC000309470632 618707391 /nfs/dbraw/zinc/70/73/91/618707391.db2.gz ALWKGSVTGDJPIV-WDEREUQCSA-N 1 1 255.770 2.672 20 30 CFEDMO C[C@H]1CSCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000070219853 625285341 /nfs/dbraw/zinc/28/53/41/625285341.db2.gz FNZCQRUYAXAKET-ZDUSSCGKSA-N 1 1 276.405 2.764 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000892808916 618749427 /nfs/dbraw/zinc/74/94/27/618749427.db2.gz FGTJCLNUFANLTO-JKSUJKDBSA-N 1 1 297.402 2.532 20 30 CFEDMO CCCC(N)=[NH+]OCc1ccn(-c2ccc(F)cc2)n1 ZINC000174145418 618772888 /nfs/dbraw/zinc/77/28/88/618772888.db2.gz HMYFSAHIYHMGIW-UHFFFAOYSA-N 1 1 276.315 2.600 20 30 CFEDMO CSc1ccc(C[NH2+][C@@H](C)c2cn(C)cn2)cc1C#N ZINC000926869833 618775289 /nfs/dbraw/zinc/77/52/89/618775289.db2.gz XMJVIIOKBBIUMJ-NSHDSACASA-N 1 1 286.404 2.864 20 30 CFEDMO CSc1ccc(C[NH2+][C@H](C)c2cn(C)cn2)cc1C#N ZINC000926869828 618775506 /nfs/dbraw/zinc/77/55/06/618775506.db2.gz XMJVIIOKBBIUMJ-LLVKDONJSA-N 1 1 286.404 2.864 20 30 CFEDMO N#CC1(CCCC[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)CCC1 ZINC000930454736 618826103 /nfs/dbraw/zinc/82/61/03/618826103.db2.gz YSFVPGNBTYVSHJ-HZPDHXFCSA-N 1 1 292.423 2.730 20 30 CFEDMO N#CC1(CCCC[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)CCC1 ZINC000930454736 618826106 /nfs/dbraw/zinc/82/61/06/618826106.db2.gz YSFVPGNBTYVSHJ-HZPDHXFCSA-N 1 1 292.423 2.730 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccccc2F)C1 ZINC001006583814 618830355 /nfs/dbraw/zinc/83/03/55/618830355.db2.gz GQOAVFDTTKQGNF-ZDUSSCGKSA-N 1 1 276.355 2.596 20 30 CFEDMO Cc1cc(F)c(C#N)c(NCC2=CC[N@@H+](C)CC2)c1 ZINC000893099909 618831290 /nfs/dbraw/zinc/83/12/90/618831290.db2.gz VGRMRJNGLZZESP-UHFFFAOYSA-N 1 1 259.328 2.680 20 30 CFEDMO C[C@H](Nc1cc(C#N)sc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1 ZINC000893119117 618837731 /nfs/dbraw/zinc/83/77/31/618837731.db2.gz NNWNWFSMNFMCEP-VIFPVBQESA-N 1 1 292.364 2.590 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)s2)C1 ZINC001006588724 618848934 /nfs/dbraw/zinc/84/89/34/618848934.db2.gz YQRYTHGMSXXCFA-CYBMUJFWSA-N 1 1 278.421 2.827 20 30 CFEDMO COc1nccc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1F ZINC000893190668 618873688 /nfs/dbraw/zinc/87/36/88/618873688.db2.gz DWCOHSGCZQUGPT-UHFFFAOYSA-N 1 1 297.333 2.880 20 30 CFEDMO CC[C@@H]1[C@H](CO)CC[N@H+]1CCCCC1(C#N)CCC1 ZINC000930607609 618888108 /nfs/dbraw/zinc/88/81/08/618888108.db2.gz NTGJCFQPWITWQI-LSDHHAIUSA-N 1 1 264.413 2.943 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2F)C1 ZINC001006606865 618892542 /nfs/dbraw/zinc/89/25/42/618892542.db2.gz FPHPCICYWABJOF-CQSZACIVSA-N 1 1 290.382 2.986 20 30 CFEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)C2CCCCC2)C1 ZINC001006619073 618912173 /nfs/dbraw/zinc/91/21/73/618912173.db2.gz DAKOYSQOUIQMID-OAHLLOKOSA-N 1 1 264.413 2.723 20 30 CFEDMO Cc1cc(F)c(C#N)c(N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000893267366 618917505 /nfs/dbraw/zinc/91/75/05/618917505.db2.gz XVRDLDMYQNDNPU-NSHDSACASA-N 1 1 270.311 2.629 20 30 CFEDMO Cc1cc(F)c(C#N)c(N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000893267364 618917550 /nfs/dbraw/zinc/91/75/50/618917550.db2.gz XVRDLDMYQNDNPU-LLVKDONJSA-N 1 1 270.311 2.629 20 30 CFEDMO Cc1nc2c(c(=O)[nH]1)C[N@H+](CCCCC1(C#N)CCC1)C2 ZINC000931312186 618938980 /nfs/dbraw/zinc/93/89/80/618938980.db2.gz QEVBNKWCQDUBIA-UHFFFAOYSA-N 1 1 286.379 2.670 20 30 CFEDMO Cc1nc2c(c(=O)[nH]1)C[N@@H+](CCCCC1(C#N)CCC1)C2 ZINC000931312186 618938981 /nfs/dbraw/zinc/93/89/81/618938981.db2.gz QEVBNKWCQDUBIA-UHFFFAOYSA-N 1 1 286.379 2.670 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CC(F)(F)C2)C1 ZINC001009158949 618982333 /nfs/dbraw/zinc/98/23/33/618982333.db2.gz CNIJWFVQDHLDNO-LBPRGKRZSA-N 1 1 286.366 2.579 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(C)c(C)c2)C1 ZINC001009430273 618993281 /nfs/dbraw/zinc/99/32/81/618993281.db2.gz GHQBMKNTDXZTQE-QGZVFWFLSA-N 1 1 286.419 2.613 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001009602358 619002899 /nfs/dbraw/zinc/00/28/99/619002899.db2.gz LQBYBOSCVKZYIY-WMZOPIPTSA-N 1 1 288.435 2.727 20 30 CFEDMO N#CCc1cccc(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)c1 ZINC000909368679 619012093 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C[C@@H](C#N)OCC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000801912752 621028495 /nfs/dbraw/zinc/02/84/95/621028495.db2.gz BSWCCXQNXWUZDR-BBRMVZONSA-N 1 1 276.355 2.761 20 30 CFEDMO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(C#N)c(F)c1 ZINC000902436684 621080038 /nfs/dbraw/zinc/08/00/38/621080038.db2.gz FRNXRSOSITXZTH-HWOJHCLVSA-N 1 1 295.361 2.973 20 30 CFEDMO CCn1cnc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)c1 ZINC000902531504 621118952 /nfs/dbraw/zinc/11/89/52/621118952.db2.gz XGCPFEUJEZHSCT-MRXNPFEDSA-N 1 1 266.348 2.552 20 30 CFEDMO C[C@@H](ON=C(N)C[NH+]1CCCCC1)c1cccc(C#N)c1 ZINC000902656865 621142134 /nfs/dbraw/zinc/14/21/34/621142134.db2.gz WBZUPIUZTKWFHF-CYBMUJFWSA-N 1 1 286.379 2.604 20 30 CFEDMO C=CCCC[N@H+](CC)Cn1c2ccccc2oc1=O ZINC000902669991 621148708 /nfs/dbraw/zinc/14/87/08/621148708.db2.gz WJMZZHOCCMSPMG-UHFFFAOYSA-N 1 1 260.337 2.840 20 30 CFEDMO C[C@@H]([NH2+]CC(C)(C)N1CCCCC1)c1cc(C#N)ccn1 ZINC000902722527 621157204 /nfs/dbraw/zinc/15/72/04/621157204.db2.gz FWOUUVKOFQAZNT-CQSZACIVSA-N 1 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/nfs/dbraw/zinc/17/21/16/621172116.db2.gz QSOWPVAXWJKUKY-BBRMVZONSA-N 1 1 259.397 2.939 20 30 CFEDMO CC[C@H]1CCCC[N@H+]1CCN[C@H](C)c1cc(C#N)ccn1 ZINC000902801380 621173595 /nfs/dbraw/zinc/17/35/95/621173595.db2.gz ABWOPEJOYPNRFU-ZBFHGGJFSA-N 1 1 286.423 2.868 20 30 CFEDMO CC[C@H]1CCCCN1CC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902801380 621173598 /nfs/dbraw/zinc/17/35/98/621173598.db2.gz ABWOPEJOYPNRFU-ZBFHGGJFSA-N 1 1 286.423 2.868 20 30 CFEDMO CCCOc1ccc(C[NH2+][C@H](C)c2cc(C#N)ccn2)cn1 ZINC000902795987 621179271 /nfs/dbraw/zinc/17/92/71/621179271.db2.gz IVWTTXTUFNJCDQ-CYBMUJFWSA-N 1 1 296.374 2.988 20 30 CFEDMO Cc1nc(C)c(C[NH2+][C@H](C)c2cc(C#N)ccn2)s1 ZINC000902819519 621181531 /nfs/dbraw/zinc/18/15/31/621181531.db2.gz GZTKFPWSNOFTPG-SECBINFHSA-N 1 1 272.377 2.877 20 30 CFEDMO CC[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902830245 621183633 /nfs/dbraw/zinc/18/36/33/621183633.db2.gz MIHAICKLPXBUDW-PBHICJAKSA-N 1 1 271.408 2.941 20 30 CFEDMO CC[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902830245 621183636 /nfs/dbraw/zinc/18/36/36/621183636.db2.gz MIHAICKLPXBUDW-PBHICJAKSA-N 1 1 271.408 2.941 20 30 CFEDMO Cc1ccccc1[C@@H](CO)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902830912 621186704 /nfs/dbraw/zinc/18/67/04/621186704.db2.gz UCNQFCLKLGDEAK-CXAGYDPISA-N 1 1 281.359 2.646 20 30 CFEDMO C[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cc(C#N)ccn1 ZINC000902888878 621200095 /nfs/dbraw/zinc/20/00/95/621200095.db2.gz XQVNISOHXGWQIK-UGSOOPFHSA-N 1 1 292.386 2.791 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)c1cc(C#N)ccn1 ZINC000902946873 621211499 /nfs/dbraw/zinc/21/14/99/621211499.db2.gz APLJTXRDDPBJDO-WDEREUQCSA-N 1 1 270.311 2.899 20 30 CFEDMO CC[C@@H]([NH2+][C@H](C)c1nnnn1C1CC1)c1cccc(C#N)c1 ZINC000902969355 621211524 /nfs/dbraw/zinc/21/15/24/621211524.db2.gz DMAWDCBHMBWKDV-IAQYHMDHSA-N 1 1 296.378 2.682 20 30 CFEDMO CC(C)[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nncn1C ZINC000903060868 621237111 /nfs/dbraw/zinc/23/71/11/621237111.db2.gz HOPJETDTLPQGJI-DOMZBBRYSA-N 1 1 283.379 2.735 20 30 CFEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc2c(c1)CCC(=O)N2 ZINC000903100348 621252998 /nfs/dbraw/zinc/25/29/98/621252998.db2.gz ONUOAWIWVQYLGO-NSHDSACASA-N 1 1 271.364 2.772 20 30 CFEDMO C[C@@H](C#N)OCC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000801951099 621259978 /nfs/dbraw/zinc/25/99/78/621259978.db2.gz ABVOALOTJRJAQT-YUMQZZPRSA-N 1 1 293.314 2.741 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3[nH]ccc3C3CC3)CCC[C@H]12 ZINC000991019287 621268443 /nfs/dbraw/zinc/26/84/43/621268443.db2.gz MLZSYEAYRCLRRJ-YJBOKZPZSA-N 1 1 299.418 2.805 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1cc(C#N)ccn1 ZINC000903305807 621324971 /nfs/dbraw/zinc/32/49/71/621324971.db2.gz QCULDQKJZNYNBS-ZJUUUORDSA-N 1 1 258.350 2.822 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1cncs1 ZINC000903305806 621325181 /nfs/dbraw/zinc/32/51/81/621325181.db2.gz QCULDQKJZNYNBS-VHSXEESVSA-N 1 1 258.350 2.822 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@H](C)[C@@H]1CN ZINC000903424838 621379653 /nfs/dbraw/zinc/37/96/53/621379653.db2.gz IOBOREFVCVMEGC-SJCJKPOMSA-N 1 1 271.408 2.734 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](C)[C@@H]1CN ZINC000903424838 621379654 /nfs/dbraw/zinc/37/96/54/621379654.db2.gz IOBOREFVCVMEGC-SJCJKPOMSA-N 1 1 271.408 2.734 20 30 CFEDMO CN(Cc1cc(Cl)cc(C#N)c1)CC(C)(C)C[NH3+] ZINC000903424719 621380148 /nfs/dbraw/zinc/38/01/48/621380148.db2.gz CYEQKYJZBWXTPN-UHFFFAOYSA-N 1 1 265.788 2.628 20 30 CFEDMO C=CC[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832698272 625487581 /nfs/dbraw/zinc/48/75/81/625487581.db2.gz PZNRCYTXYRMEPP-UHFFFAOYSA-N 1 1 254.374 2.504 20 30 CFEDMO C=CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832698272 625487583 /nfs/dbraw/zinc/48/75/83/625487583.db2.gz PZNRCYTXYRMEPP-UHFFFAOYSA-N 1 1 254.374 2.504 20 30 CFEDMO C[C@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@H]1CN ZINC000903717134 621424757 /nfs/dbraw/zinc/42/47/57/621424757.db2.gz HMEVFQPGOLUYKB-GJZGRUSLSA-N 1 1 263.429 2.910 20 30 CFEDMO C[C@H]1CCCN(CCCCC2(C#N)CCC2)[C@H]1C[NH3+] ZINC000903717134 621424759 /nfs/dbraw/zinc/42/47/59/621424759.db2.gz HMEVFQPGOLUYKB-GJZGRUSLSA-N 1 1 263.429 2.910 20 30 CFEDMO C#Cc1cncc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000904797982 621649971 /nfs/dbraw/zinc/64/99/71/621649971.db2.gz BKSBZUQCSOTYNH-UHFFFAOYSA-N 1 1 278.355 2.562 20 30 CFEDMO C=CCc1cc(C[N@@H+]2CCC[C@H](C#N)C2)c(O)c(OC)c1 ZINC000905720542 621829190 /nfs/dbraw/zinc/82/91/90/621829190.db2.gz STWPGWTYJPCDRI-CQSZACIVSA-N 1 1 286.375 2.865 20 30 CFEDMO C=CCc1cc(C[N@H+]2CCC[C@H](C#N)C2)c(O)c(OC)c1 ZINC000905720542 621829197 /nfs/dbraw/zinc/82/91/97/621829197.db2.gz STWPGWTYJPCDRI-CQSZACIVSA-N 1 1 286.375 2.865 20 30 CFEDMO C=CC[C@@H]([NH2+]CCC[C@@H]1CC1(Cl)Cl)C(=O)OC ZINC000905776775 621845117 /nfs/dbraw/zinc/84/51/17/621845117.db2.gz BSBXKAOHRHEPHN-NXEZZACHSA-N 1 1 280.195 2.668 20 30 CFEDMO C=CC[C@H]([NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1)C(=O)OC ZINC000905762136 621854534 /nfs/dbraw/zinc/85/45/34/621854534.db2.gz QSVKOAOHYQOVFK-RQJABVFESA-N 1 1 251.370 2.663 20 30 CFEDMO C=CC[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)C(=O)OC ZINC000905763827 621854896 /nfs/dbraw/zinc/85/48/96/621854896.db2.gz OPVXHSYOJJVURF-JXQTWKCFSA-N 1 1 283.412 2.678 20 30 CFEDMO C=CC[C@@H]([NH2+]CC1(CCOC)CCCCC1)C(=O)OC ZINC000905766465 621857286 /nfs/dbraw/zinc/85/72/86/621857286.db2.gz WUZMNTFAQXJDFU-CQSZACIVSA-N 1 1 283.412 2.681 20 30 CFEDMO C=CC[C@@H]([NH2+]CC(C)(C)C1=CCCC1)C(=O)OC ZINC000905770159 621859506 /nfs/dbraw/zinc/85/95/06/621859506.db2.gz ADZYFSPEHKJPTB-CYBMUJFWSA-N 1 1 251.370 2.830 20 30 CFEDMO C=CC[C@@H]([NH2+]C1CCC(CSC)CC1)C(=O)OC ZINC000905771313 621860460 /nfs/dbraw/zinc/86/04/60/621860460.db2.gz SHDZPTOKEBSAGC-WXRRBKDZSA-N 1 1 271.426 2.616 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000905966231 621906681 /nfs/dbraw/zinc/90/66/81/621906681.db2.gz MLBXUACUEXEMCZ-PBHICJAKSA-N 1 1 299.418 2.857 20 30 CFEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1F ZINC000906112320 621931901 /nfs/dbraw/zinc/93/19/01/621931901.db2.gz PHNMGZQNIDUEEA-AWEZNQCLSA-N 1 1 293.317 2.648 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1F ZINC000906112320 621931904 /nfs/dbraw/zinc/93/19/04/621931904.db2.gz PHNMGZQNIDUEEA-AWEZNQCLSA-N 1 1 293.317 2.648 20 30 CFEDMO C[C@H](CNC(=O)c1ccsc1C#N)[N@H+]1CCCC[C@@H]1C ZINC000906150026 621940197 /nfs/dbraw/zinc/94/01/97/621940197.db2.gz JCKFNRFUMJHISZ-NWDGAFQWSA-N 1 1 291.420 2.612 20 30 CFEDMO C[N@@H+](CCNC(=O)c1ccsc1C#N)C1CCCCC1 ZINC000906427048 621989678 /nfs/dbraw/zinc/98/96/78/621989678.db2.gz VXHMYCOFZFFGIX-UHFFFAOYSA-N 1 1 291.420 2.614 20 30 CFEDMO C=CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)C ZINC000906567772 622011005 /nfs/dbraw/zinc/01/10/05/622011005.db2.gz OLJUHXNOOIZHCC-AWEZNQCLSA-N 1 1 252.402 2.531 20 30 CFEDMO CC[N@@H+](CCNC(=O)[C@]1(C#N)CC2CCC1CC2)C(C)C ZINC000906682416 622029800 /nfs/dbraw/zinc/02/98/00/622029800.db2.gz OVYWVQDLXMVGFX-DQPZFDDXSA-N 1 1 291.439 2.553 20 30 CFEDMO C#CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC000907136342 622089811 /nfs/dbraw/zinc/08/98/11/622089811.db2.gz IGAOCKRLDJUMJO-QZTJIDSGSA-N 1 1 298.430 2.989 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccsc2C#N)C1 ZINC000907136583 622089986 /nfs/dbraw/zinc/08/99/86/622089986.db2.gz KUPYGCAOJNXECM-AWEZNQCLSA-N 1 1 297.383 2.536 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)c2ccsc2C#N)C1 ZINC000907136583 622089989 /nfs/dbraw/zinc/08/99/89/622089989.db2.gz KUPYGCAOJNXECM-AWEZNQCLSA-N 1 1 297.383 2.536 20 30 CFEDMO CNc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000907931380 622172001 /nfs/dbraw/zinc/17/20/01/622172001.db2.gz CCJFDCFJBUCUTF-CJNGLKHVSA-N 1 1 298.390 2.555 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)NCC(C)(C)CCC#N)C1 ZINC000908212035 622204897 /nfs/dbraw/zinc/20/48/97/622204897.db2.gz CGRVGCALYSNVSC-AWEZNQCLSA-N 1 1 279.428 2.555 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CCc3cc(C#N)ccc32)C1 ZINC000910482960 622450915 /nfs/dbraw/zinc/45/09/15/622450915.db2.gz ZUNZNDJVNVVUID-MRXNPFEDSA-N 1 1 297.402 2.569 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC3(F)F)CCC[C@@H]12 ZINC000991294121 622492397 /nfs/dbraw/zinc/49/23/97/622492397.db2.gz BGWZQPMEBRFAAZ-UMVBOHGHSA-N 1 1 298.377 2.721 20 30 CFEDMO C#C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC000911500973 622524046 /nfs/dbraw/zinc/52/40/46/622524046.db2.gz PQTOMLMKFAKBMH-SJORKVTESA-N 1 1 284.403 2.599 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC34CC4)CCC[C@H]12 ZINC000991362617 622603736 /nfs/dbraw/zinc/60/37/36/622603736.db2.gz RUJFMNYHLITPDT-RLFYNMQTSA-N 1 1 288.435 2.866 20 30 CFEDMO C=CCC[C@@H]1CCCN1C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000912045144 622617524 /nfs/dbraw/zinc/61/75/24/622617524.db2.gz LHHKVZRMORPEFP-OAGGEKHMSA-N 1 1 291.439 2.753 20 30 CFEDMO CCN(C(=O)c1cc(C)c(C#N)c(C)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000912401751 622705274 /nfs/dbraw/zinc/70/52/74/622705274.db2.gz XPIHMEAXRFSWSB-MRXNPFEDSA-N 1 1 299.418 2.731 20 30 CFEDMO C#C[C@@H](CCC)NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000820635175 622722117 /nfs/dbraw/zinc/72/21/17/622722117.db2.gz IXLMRQAUEMPTBL-INIZCTEOSA-N 1 1 293.455 2.550 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000912707389 622763693 /nfs/dbraw/zinc/76/36/93/622763693.db2.gz RKSYYSGUTSDCTK-HRCADAONSA-N 1 1 276.424 2.818 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000820874682 622779684 /nfs/dbraw/zinc/77/96/84/622779684.db2.gz RUIVXKDMHYZXSC-KGLIPLIRSA-N 1 1 264.413 2.531 20 30 CFEDMO C=CCC1(C(=O)O[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCOCC1 ZINC000821000084 622816039 /nfs/dbraw/zinc/81/60/39/622816039.db2.gz XVKGZNLAVZLKBD-HUUCEWRRSA-N 1 1 293.407 2.529 20 30 CFEDMO COc1ccc(C)cc1C(=O)/C=C\c1c[nH+]c(N(C)C)n1C ZINC000821039345 622829238 /nfs/dbraw/zinc/82/92/38/622829238.db2.gz QHWSRDUFJBEQNH-FPLPWBNLSA-N 1 1 299.374 2.699 20 30 CFEDMO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000913097342 622835710 /nfs/dbraw/zinc/83/57/10/622835710.db2.gz 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ZINC000851726041 634491552 /nfs/dbraw/zinc/49/15/52/634491552.db2.gz JVNQPEDUDYKZQX-UHFFFAOYSA-N 1 1 269.348 2.838 20 30 CFEDMO C#CCOCC[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000851730015 634494706 /nfs/dbraw/zinc/49/47/06/634494706.db2.gz KVKYZZGATVJFSL-UHFFFAOYSA-N 1 1 265.303 2.579 20 30 CFEDMO C#CCOCC[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000851730015 634494708 /nfs/dbraw/zinc/49/47/08/634494708.db2.gz KVKYZZGATVJFSL-UHFFFAOYSA-N 1 1 265.303 2.579 20 30 CFEDMO C=C(Cl)C[N@H+]1CCC[C@H]1C1CCN(C(=O)C2CC2)CC1 ZINC001004311173 626343158 /nfs/dbraw/zinc/34/31/58/626343158.db2.gz HEXPZOPIJFWJIL-HNNXBMFYSA-N 1 1 296.842 2.852 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001004344989 626357310 /nfs/dbraw/zinc/35/73/10/626357310.db2.gz HEHYPXBSCWQUHJ-GOEBONIOSA-N 1 1 278.440 2.922 20 30 CFEDMO Cc1ccc(C[NH2+]Cc2cnn(C)c2Cl)cc1C#N ZINC000922760445 626359849 /nfs/dbraw/zinc/35/98/49/626359849.db2.gz SZKIWXJFWSHKII-UHFFFAOYSA-N 1 1 274.755 2.543 20 30 CFEDMO C#CCOCC[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000851732046 634497336 /nfs/dbraw/zinc/49/73/36/634497336.db2.gz HWXXUDZFGVKMLQ-UHFFFAOYSA-N 1 1 274.408 2.613 20 30 CFEDMO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)c1ccccn1 ZINC000851733317 634497353 /nfs/dbraw/zinc/49/73/53/634497353.db2.gz RHQNNDGCLYCLBO-GOSISDBHSA-N 1 1 298.386 2.812 20 30 CFEDMO C=CC[N@H+]1CCC[C@@H]1C1CCN(C(=O)/C=C\C2CC2)CC1 ZINC001004398574 626367073 /nfs/dbraw/zinc/36/70/73/626367073.db2.gz UWSLQPOIRGCVRF-ZPUOCTKUSA-N 1 1 288.435 2.842 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC001004531034 626389640 /nfs/dbraw/zinc/38/96/40/626389640.db2.gz YKQFSALLPXHVOR-CWRNSKLLSA-N 1 1 276.424 2.531 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H]1CCC2(COC2)O1 ZINC000929327024 626397689 /nfs/dbraw/zinc/39/76/89/626397689.db2.gz IICGOEFWPUSESD-HNNXBMFYSA-N 1 1 291.366 2.762 20 30 CFEDMO C=CC[N@H+](Cc1ccccc1F)C[C@@H]1CCC2(COC2)O1 ZINC000929327024 626397691 /nfs/dbraw/zinc/39/76/91/626397691.db2.gz IICGOEFWPUSESD-HNNXBMFYSA-N 1 1 291.366 2.762 20 30 CFEDMO CCC(=[NH+][N-]c1cc[nH+]cc1)c1ccc(Cl)c(N)c1 ZINC000814899987 626403486 /nfs/dbraw/zinc/40/34/86/626403486.db2.gz YJNLQRQTJIFORA-UHFFFAOYSA-N 1 1 274.755 2.965 20 30 CFEDMO C#CCOCC[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000851736917 634500690 /nfs/dbraw/zinc/50/06/90/634500690.db2.gz XQMUMVMZXMCDFC-AWEZNQCLSA-N 1 1 256.349 2.591 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)C2=CCCC2)CC1 ZINC001005246456 626413636 /nfs/dbraw/zinc/41/36/36/626413636.db2.gz KSMFYXAJBMEVEY-UHFFFAOYSA-N 1 1 282.815 2.772 20 30 CFEDMO CCCCCCCCC[N@@H+](C)C[C@H]1CNC(=O)C1 ZINC000851736127 634501431 /nfs/dbraw/zinc/50/14/31/634501431.db2.gz NBEIZPHBBLWILH-CQSZACIVSA-N 1 1 254.418 2.805 20 30 CFEDMO C#CCOCC[N@H+](C)[C@H]1CCCc2cc(OC)ccc21 ZINC000851738394 634502198 /nfs/dbraw/zinc/50/21/98/634502198.db2.gz FIZSHIWPFDOULV-KRWDZBQOSA-N 1 1 273.376 2.654 20 30 CFEDMO C#CCOc1ccc(C[NH2+]Cc2cc(C3CC3)n(C)n2)cc1 ZINC000922957463 626432788 /nfs/dbraw/zinc/43/27/88/626432788.db2.gz YJDWGAAKHRWFIY-UHFFFAOYSA-N 1 1 295.386 2.599 20 30 CFEDMO C=C1CCC(C(=O)N(C)C2CC[NH+](CCF)CC2)CC1 ZINC001005939464 626452569 /nfs/dbraw/zinc/45/25/69/626452569.db2.gz WNVZZSDHPVXIRM-UHFFFAOYSA-N 1 1 282.403 2.625 20 30 CFEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccccc2C(C)(C)CC)C1 ZINC001014858232 626463680 /nfs/dbraw/zinc/46/36/80/626463680.db2.gz AZMRCVNUVUJDQV-HNNXBMFYSA-N 1 1 298.430 2.812 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C(C)(C)CC)C1 ZINC001014858232 626463682 /nfs/dbraw/zinc/46/36/82/626463682.db2.gz AZMRCVNUVUJDQV-HNNXBMFYSA-N 1 1 298.430 2.812 20 30 CFEDMO Cc1[nH+]ccn1CCOC(=O)c1cc(C)c(C#N)c(C)c1 ZINC000923434616 626473076 /nfs/dbraw/zinc/47/30/76/626473076.db2.gz VMCAXPJDBTWMTD-UHFFFAOYSA-N 1 1 283.331 2.537 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC000923565991 626479849 /nfs/dbraw/zinc/47/98/49/626479849.db2.gz HFZSGBINOYTODC-SJLPKXTDSA-N 1 1 296.414 2.560 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C=C)c2ccccc2)C1 ZINC000923565991 626479850 /nfs/dbraw/zinc/47/98/50/626479850.db2.gz HFZSGBINOYTODC-SJLPKXTDSA-N 1 1 296.414 2.560 20 30 CFEDMO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccc3sccc3c2)C1 ZINC000923570295 626479979 /nfs/dbraw/zinc/47/99/79/626479979.db2.gz QHTQHPCKRXSYBG-HNNXBMFYSA-N 1 1 298.411 2.729 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3sccc3c2)C1 ZINC000923570295 626479980 /nfs/dbraw/zinc/47/99/80/626479980.db2.gz QHTQHPCKRXSYBG-HNNXBMFYSA-N 1 1 298.411 2.729 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cc(C)c(F)cc2F)C1 ZINC001014889952 626480467 /nfs/dbraw/zinc/48/04/67/626480467.db2.gz QMINYHBODDQSDG-GFCCVEGCSA-N 1 1 294.345 2.653 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000774609980 626482070 /nfs/dbraw/zinc/48/20/70/626482070.db2.gz ZLIXGXMSKYYYPH-ZIAGYGMSSA-N 1 1 253.386 2.816 20 30 CFEDMO C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCC2)C(C)(C)C1 ZINC000886030958 626482668 /nfs/dbraw/zinc/48/26/68/626482668.db2.gz YKBQNKGUNJPUDL-QWHCGFSZSA-N 1 1 250.386 2.552 20 30 CFEDMO C[C@@H]([N@@H+](C)C[C@H](O)CC1(C#N)CCC1)C1(C)CC1 ZINC000886036701 626482674 /nfs/dbraw/zinc/48/26/74/626482674.db2.gz CJWUDGUXVJQOMP-CHWSQXEVSA-N 1 1 250.386 2.552 20 30 CFEDMO CCC[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886039666 626482734 /nfs/dbraw/zinc/48/27/34/626482734.db2.gz OCYBQXYUSCHPSB-LSDHHAIUSA-N 1 1 264.413 2.943 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)N(C)C1CCC(CC)CC1 ZINC000838622822 626502229 /nfs/dbraw/zinc/50/22/29/626502229.db2.gz PFBQCCBXECIJSL-UHFFFAOYSA-N 1 1 293.455 2.552 20 30 CFEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](O)C1CC1 ZINC000838861584 626511629 /nfs/dbraw/zinc/51/16/29/626511629.db2.gz JNLNMGBDSYUFJR-IXDOHACOSA-N 1 1 270.376 2.529 20 30 CFEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](O)C1CC1 ZINC000838861582 626511706 /nfs/dbraw/zinc/51/17/06/626511706.db2.gz JNLNMGBDSYUFJR-BRWVUGGUSA-N 1 1 270.376 2.529 20 30 CFEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)C1CC1 ZINC000839004577 626519764 /nfs/dbraw/zinc/51/97/64/626519764.db2.gz BQGWWNFTMYDJPS-MRXNPFEDSA-N 1 1 277.412 2.613 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000839062589 626522518 /nfs/dbraw/zinc/52/25/18/626522518.db2.gz MZTZENMOUIBLLE-XJKCOSOUSA-N 1 1 296.386 2.824 20 30 CFEDMO CCCCC(N)=[NH+]OCc1ccc(F)cc1C(=O)OC ZINC000103463045 626537489 /nfs/dbraw/zinc/53/74/89/626537489.db2.gz KPGHYRKOVSXBTG-UHFFFAOYSA-N 1 1 282.315 2.591 20 30 CFEDMO C#CCC1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCCCC1 ZINC000788155858 626538644 /nfs/dbraw/zinc/53/86/44/626538644.db2.gz RCMJFNLDEZHPOO-HNNXBMFYSA-N 1 1 288.435 2.561 20 30 CFEDMO CCCCCCCCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000788157281 626538704 /nfs/dbraw/zinc/53/87/04/626538704.db2.gz UHADNFOINPGHIE-CVEARBPZSA-N 1 1 298.471 2.651 20 30 CFEDMO C#Cc1ccc(CNC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000809608479 626541205 /nfs/dbraw/zinc/54/12/05/626541205.db2.gz SMEYFCPGZHMRBQ-INIZCTEOSA-N 1 1 270.420 2.880 20 30 CFEDMO C#CC[C@H](Nc1cc[nH+]c(N(C)C)n1)c1ccccc1 ZINC000756956598 626542677 /nfs/dbraw/zinc/54/26/77/626542677.db2.gz DVDHZMMXTOWBAK-AWEZNQCLSA-N 1 1 266.348 2.719 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000839581952 626547202 /nfs/dbraw/zinc/54/72/02/626547202.db2.gz YJBBOTOAIMWOIB-QGZVFWFLSA-N 1 1 298.430 2.914 20 30 CFEDMO C[N@@H+](CC(=O)NCCC#N)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000839651293 626549509 /nfs/dbraw/zinc/54/95/09/626549509.db2.gz SKCQBIFUYBARPH-IAGOWNOFSA-N 1 1 299.418 2.674 20 30 CFEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC(C)(C)C[C@H]1C ZINC000839659109 626549812 /nfs/dbraw/zinc/54/98/12/626549812.db2.gz VMMADNJIBGWZDP-IUODEOHRSA-N 1 1 286.375 2.893 20 30 CFEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC(C)(C)C[C@H]1C ZINC000839659109 626549813 /nfs/dbraw/zinc/54/98/13/626549813.db2.gz VMMADNJIBGWZDP-IUODEOHRSA-N 1 1 286.375 2.893 20 30 CFEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC(C)(C)C[C@H]1C ZINC000839659107 626549877 /nfs/dbraw/zinc/54/98/77/626549877.db2.gz VMMADNJIBGWZDP-DOMZBBRYSA-N 1 1 286.375 2.893 20 30 CFEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC(C)(C)C[C@H]1C ZINC000839659107 626549878 /nfs/dbraw/zinc/54/98/78/626549878.db2.gz VMMADNJIBGWZDP-DOMZBBRYSA-N 1 1 286.375 2.893 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000839659699 626549929 /nfs/dbraw/zinc/54/99/29/626549929.db2.gz NOVICPKQGPFDPW-CYBMUJFWSA-N 1 1 250.390 2.873 20 30 CFEDMO CCCCCCC[N@@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000839659699 626549930 /nfs/dbraw/zinc/54/99/30/626549930.db2.gz NOVICPKQGPFDPW-CYBMUJFWSA-N 1 1 250.390 2.873 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@@H](c2nc(C)n[nH]2)C1 ZINC000839659699 626549931 /nfs/dbraw/zinc/54/99/31/626549931.db2.gz NOVICPKQGPFDPW-CYBMUJFWSA-N 1 1 250.390 2.873 20 30 CFEDMO CCCCCCC[N@@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000839659699 626549932 /nfs/dbraw/zinc/54/99/32/626549932.db2.gz NOVICPKQGPFDPW-CYBMUJFWSA-N 1 1 250.390 2.873 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@@H](c2n[nH]c(C)n2)C1 ZINC000839659699 626549933 /nfs/dbraw/zinc/54/99/33/626549933.db2.gz NOVICPKQGPFDPW-CYBMUJFWSA-N 1 1 250.390 2.873 20 30 CFEDMO Cc1ccc(NCCNc2cccc(F)c2C#N)[nH+]c1 ZINC000757834994 626564926 /nfs/dbraw/zinc/56/49/26/626564926.db2.gz ZBJPNVRKASYYEN-UHFFFAOYSA-N 1 1 270.311 2.925 20 30 CFEDMO C[NH+]1CCN(N=C2CCCc3c(Cl)cccc32)CC1 ZINC000758070649 626575664 /nfs/dbraw/zinc/57/56/64/626575664.db2.gz SFYMXLLXRDXSJW-UHFFFAOYSA-N 1 1 277.799 2.628 20 30 CFEDMO CC(C)[C@@H]1CCC(=NN2CC[NH+](C)CC2)C[C@H]1C ZINC000758091605 626576070 /nfs/dbraw/zinc/57/60/70/626576070.db2.gz VWHRFTYKXQDEPO-HIFRSBDPSA-N 1 1 251.418 2.682 20 30 CFEDMO C[N@H+]1CCCC(N=Nc2cncc(Br)c2)CC1 ZINC000758120492 626577514 /nfs/dbraw/zinc/57/75/14/626577514.db2.gz SCXGMXJNJXSGKO-UHFFFAOYSA-N 1 1 297.200 2.728 20 30 CFEDMO Cc1ccn(C[N@@H+]2CCC[C@H]2c2cccs2)c(=O)c1C#N ZINC000758179696 626580431 /nfs/dbraw/zinc/58/04/31/626580431.db2.gz WUFOEQWQBSFHIN-AWEZNQCLSA-N 1 1 299.399 2.885 20 30 CFEDMO Cc1ccn(C[N@H+]2CCC[C@H]2c2cccs2)c(=O)c1C#N 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CFEDMO CCC[C@]1(C)CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758231373 626583871 /nfs/dbraw/zinc/58/38/71/626583871.db2.gz MTGOSAWBNRSVSK-MRXNPFEDSA-N 1 1 273.380 2.580 20 30 CFEDMO CCC[C@]1(C)CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000758231373 626583872 /nfs/dbraw/zinc/58/38/72/626583872.db2.gz MTGOSAWBNRSVSK-MRXNPFEDSA-N 1 1 273.380 2.580 20 30 CFEDMO Cc1ccn(C[N@@H+]2CCCC[C@@H]2CC(C)C)c(=O)c1C#N ZINC000758235675 626584316 /nfs/dbraw/zinc/58/43/16/626584316.db2.gz JTRTZUVTUMMZBG-OAHLLOKOSA-N 1 1 287.407 2.887 20 30 CFEDMO CCCC[C@H](ON=C(C)C)C(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000758396702 626591809 /nfs/dbraw/zinc/59/18/09/626591809.db2.gz LMJJLAVDZQTIMD-CABCVRRESA-N 1 1 297.443 2.510 20 30 CFEDMO CCCC[C@H](ON=C(C)C)C(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000758396702 626591811 /nfs/dbraw/zinc/59/18/11/626591811.db2.gz LMJJLAVDZQTIMD-CABCVRRESA-N 1 1 297.443 2.510 20 30 CFEDMO C=CCC(CC=C)C(=O)NCCn1cc[nH+]c1C(C)C ZINC000758485707 626595670 /nfs/dbraw/zinc/59/56/70/626595670.db2.gz 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274.324 2.539 20 30 CFEDMO Cc1ccc([N+](=O)[O-])cc1N=NC1CC[N@H+]2CCC[C@@H]12 ZINC000765571900 627147781 /nfs/dbraw/zinc/14/77/81/627147781.db2.gz MGXGNKRZQPTDQN-AWEZNQCLSA-N 1 1 274.324 2.539 20 30 CFEDMO CC[N@@H+](Cc1cccc2nsnc21)C[C@H](C)C#N ZINC000766035995 627173155 /nfs/dbraw/zinc/17/31/55/627173155.db2.gz DFYGITCKMWKGIJ-SNVBAGLBSA-N 1 1 260.366 2.673 20 30 CFEDMO CC[N@H+](Cc1cccc2nsnc21)C[C@H](C)C#N ZINC000766035995 627173158 /nfs/dbraw/zinc/17/31/58/627173158.db2.gz DFYGITCKMWKGIJ-SNVBAGLBSA-N 1 1 260.366 2.673 20 30 CFEDMO CC[N@@H+](Cn1cc2c(c(C#N)c1=O)CCC2)[C@@H](C)C(C)C ZINC000766613412 627211576 /nfs/dbraw/zinc/21/15/76/627211576.db2.gz WLMBTRKEWZVYQL-ZDUSSCGKSA-N 1 1 287.407 2.533 20 30 CFEDMO CC[N@@H+](Cn1cc2c(c(C#N)c1=O)CCC2)[C@H](C)C(C)C ZINC000766613411 627211641 /nfs/dbraw/zinc/21/16/41/627211641.db2.gz WLMBTRKEWZVYQL-CYBMUJFWSA-N 1 1 287.407 2.533 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cn1cc(-c2ccc(C)cc2)cn1 ZINC000766662009 627213355 /nfs/dbraw/zinc/21/33/55/627213355.db2.gz 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627353311 /nfs/dbraw/zinc/35/33/11/627353311.db2.gz SSMNKINGOCGBTE-UHFFFAOYSA-N 1 1 270.380 2.879 20 30 CFEDMO CC/C=C\CCO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000768929499 627387663 /nfs/dbraw/zinc/38/76/63/627387663.db2.gz UFLXLCDNXPJLMX-ARJAWSKDSA-N 1 1 260.337 2.615 20 30 CFEDMO C#CCOc1ccc(C[N@@H+](C)Cc2ccoc2)cc1 ZINC000769007275 627394522 /nfs/dbraw/zinc/39/45/22/627394522.db2.gz XXCNAQDOAXVPAF-UHFFFAOYSA-N 1 1 255.317 2.924 20 30 CFEDMO C#CC[N@H+](CC)Cc1ccc(OC(F)F)c(F)c1 ZINC000769104502 627403045 /nfs/dbraw/zinc/40/30/45/627403045.db2.gz HWWWRQAYUPVSPR-UHFFFAOYSA-N 1 1 257.255 2.882 20 30 CFEDMO C#CC[N@@H+](CC)Cc1cccc(Br)c1O ZINC000769110204 627403642 /nfs/dbraw/zinc/40/36/42/627403642.db2.gz AZSJREYUCIMEQC-UHFFFAOYSA-N 1 1 268.154 2.610 20 30 CFEDMO C#CC[N@H+](CC)Cc1cccc(Br)c1O ZINC000769110204 627403645 /nfs/dbraw/zinc/40/36/45/627403645.db2.gz AZSJREYUCIMEQC-UHFFFAOYSA-N 1 1 268.154 2.610 20 30 CFEDMO N#Cc1ccc(C2=CC[N@@H+](CCOC(F)F)CC2)cc1 ZINC000851885635 634571811 /nfs/dbraw/zinc/57/18/11/634571811.db2.gz JZNNOHPFOHTNPS-UHFFFAOYSA-N 1 1 278.302 2.887 20 30 CFEDMO C#CCOc1ccccc1C[N@H+](CCC)CC(C)(C)O ZINC000769326319 627424735 /nfs/dbraw/zinc/42/47/35/627424735.db2.gz JGEKZPGJRBQBCD-UHFFFAOYSA-N 1 1 275.392 2.682 20 30 CFEDMO C=CCCCCC[N@H+](C)C1CCN(C(C)=O)CC1 ZINC000769446947 627439000 /nfs/dbraw/zinc/43/90/00/627439000.db2.gz QQSOWESLZYJUJW-UHFFFAOYSA-N 1 1 252.402 2.676 20 30 CFEDMO C#CCOc1ccccc1C[N@H+](C)Cc1ccc[nH]1 ZINC000769544030 627454227 /nfs/dbraw/zinc/45/42/27/627454227.db2.gz REMYFMKCUPBTIM-UHFFFAOYSA-N 1 1 254.333 2.659 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1ccc[nH]1 ZINC000769544030 627454229 /nfs/dbraw/zinc/45/42/29/627454229.db2.gz REMYFMKCUPBTIM-UHFFFAOYSA-N 1 1 254.333 2.659 20 30 CFEDMO CC(C)(C#N)C[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000769554129 627455381 /nfs/dbraw/zinc/45/53/81/627455381.db2.gz OUAAJPIMRSDPRN-UHFFFAOYSA-N 1 1 274.364 2.971 20 30 CFEDMO C=CC[C@H]1[N@H+](CCCN2CCOC2=O)CCCC1(C)C ZINC000769954177 627490706 /nfs/dbraw/zinc/49/07/06/627490706.db2.gz STKZCDGXNCGUCV-CQSZACIVSA-N 1 1 280.412 2.895 20 30 CFEDMO C=CC[C@@H]1[N@H+](C[C@H](O)CN2CCCC2)CCCC1(C)C ZINC000769954837 627491009 /nfs/dbraw/zinc/49/10/09/627491009.db2.gz WWJLLEJIRBRQGP-CVEARBPZSA-N 1 1 280.456 2.510 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000769962334 627492555 /nfs/dbraw/zinc/49/25/55/627492555.db2.gz XMDLXGGWYLYJKD-IUODEOHRSA-N 1 1 292.810 2.861 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)CC(=O)N[C@H](CC)c1ccc(Cl)cc1 ZINC000769962334 627492558 /nfs/dbraw/zinc/49/25/58/627492558.db2.gz XMDLXGGWYLYJKD-IUODEOHRSA-N 1 1 292.810 2.861 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000769962248 627492745 /nfs/dbraw/zinc/49/27/45/627492745.db2.gz DHMQONCUCKDVKG-DYVFJYSZSA-N 1 1 290.382 2.593 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000769962248 627492746 /nfs/dbraw/zinc/49/27/46/627492746.db2.gz DHMQONCUCKDVKG-DYVFJYSZSA-N 1 1 290.382 2.593 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000769977241 627494070 /nfs/dbraw/zinc/49/40/70/627494070.db2.gz BMHTUOCBJRKBCZ-LLVKDONJSA-N 1 1 282.181 2.781 20 30 CFEDMO CCCCCCC[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000770001482 627495786 /nfs/dbraw/zinc/49/57/86/627495786.db2.gz NDUPLMREBVJWNQ-AWEZNQCLSA-N 1 1 275.458 2.856 20 30 CFEDMO C#CCC[N@@H+]1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000771464617 627605720 /nfs/dbraw/zinc/60/57/20/627605720.db2.gz PKPKENXQVBRICX-UHFFFAOYSA-N 1 1 269.344 2.570 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772324886 627702120 /nfs/dbraw/zinc/70/21/20/627702120.db2.gz SNUYUPCGFCIEGT-CHWSQXEVSA-N 1 1 268.401 2.892 20 30 CFEDMO C#CCOCC[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000851942512 634601753 /nfs/dbraw/zinc/60/17/53/634601753.db2.gz RVJNUUAVGWQPST-QGZVFWFLSA-N 1 1 257.377 2.733 20 30 CFEDMO C#CCCCC[NH2+][C@@H]1CCN(CCCOCC)C[C@H]1C ZINC000773041811 627773309 /nfs/dbraw/zinc/77/33/09/627773309.db2.gz SJLDIMFFLPNCEL-IAGOWNOFSA-N 1 1 280.456 2.517 20 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257.377 2.823 20 30 CFEDMO C=C(C)CC[N@H+]1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000775615605 628046413 /nfs/dbraw/zinc/04/64/13/628046413.db2.gz QBMDWOGBXRGZIM-KBPBESRZSA-N 1 1 298.427 2.567 20 30 CFEDMO COc1ccc(O)c(C[N@@H+](CCC#N)CC(C)C)c1 ZINC000775642221 628048695 /nfs/dbraw/zinc/04/86/95/628048695.db2.gz CMKKLHWQZHJCED-UHFFFAOYSA-N 1 1 262.353 2.772 20 30 CFEDMO C#CC[N@H+](Cc1cn(C)nc1CC)C1CCCCC1 ZINC000775664999 628052378 /nfs/dbraw/zinc/05/23/78/628052378.db2.gz UVMDTNKQHBWBHN-UHFFFAOYSA-N 1 1 259.397 2.750 20 30 CFEDMO C#CCOCC[N@@H+]1CC[C@@](F)(c2ccccc2C)C1 ZINC000852014042 634626821 /nfs/dbraw/zinc/62/68/21/634626821.db2.gz AQZCDTNREWKWRN-INIZCTEOSA-N 1 1 261.340 2.515 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000775984929 628091405 /nfs/dbraw/zinc/09/14/05/628091405.db2.gz IGXILEMAPYTXEK-RRFJBIMHSA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000775984929 628091408 /nfs/dbraw/zinc/09/14/08/628091408.db2.gz IGXILEMAPYTXEK-RRFJBIMHSA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000775984929 628091411 /nfs/dbraw/zinc/09/14/11/628091411.db2.gz IGXILEMAPYTXEK-RRFJBIMHSA-N 1 1 287.407 2.502 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc2ccccc2nc1OC)[C@H]1CCCO1 ZINC000775999224 628093258 /nfs/dbraw/zinc/09/32/58/628093258.db2.gz HNVOAZXJVGJMBD-DOTOQJQBSA-N 1 1 296.370 2.514 20 30 CFEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc2c(c1)OCCCO2 ZINC000776007987 628093817 /nfs/dbraw/zinc/09/38/17/628093817.db2.gz PBSDNNAYLRIAMS-GFCCVEGCSA-N 1 1 272.348 2.802 20 30 CFEDMO C=CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000776578105 628159855 /nfs/dbraw/zinc/15/98/55/628159855.db2.gz DJLDJXPGMZGCFC-CQSZACIVSA-N 1 1 264.325 2.525 20 30 CFEDMO CC(C)[C@@H]1CC(=[NH+]n2cc(Br)cn2)CCO1 ZINC000776775238 628177531 /nfs/dbraw/zinc/17/75/31/628177531.db2.gz CVWBSKBGHIKIPM-NSHDSACASA-N 1 1 286.173 2.685 20 30 CFEDMO C#CC[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000852045323 634635310 /nfs/dbraw/zinc/63/53/10/634635310.db2.gz KIWQMMHNNQYBCW-KZNAEPCWSA-N 1 1 296.414 2.569 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000852045323 634635314 /nfs/dbraw/zinc/63/53/14/634635314.db2.gz KIWQMMHNNQYBCW-KZNAEPCWSA-N 1 1 296.414 2.569 20 30 CFEDMO C#CCOc1cccc(Cl)c1C=NNc1cc[nH+]cc1 ZINC000777446874 628226328 /nfs/dbraw/zinc/22/63/28/628226328.db2.gz UZXXCIXGRMGIFL-UHFFFAOYSA-N 1 1 285.734 2.615 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)NCC[N@H+](CC)C(C)C ZINC000852066949 634641540 /nfs/dbraw/zinc/64/15/40/634641540.db2.gz SHDUYMSJHVKTOT-GASCZTMLSA-N 1 1 279.428 2.609 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[NH2+]Cc1c[nH]nc1C ZINC000778172740 628283671 /nfs/dbraw/zinc/28/36/71/628283671.db2.gz OYIDVJPLNATOHG-UHFFFAOYSA-N 1 1 289.766 2.673 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1cccc(F)c1C#N ZINC000778366982 628300494 /nfs/dbraw/zinc/30/04/94/628300494.db2.gz LASACIFETFJBQV-LBPRGKRZSA-N 1 1 290.338 2.729 20 30 CFEDMO CC[C@H](C(=O)[C@H](C#N)c1nc(C)cs1)[NH+](CC)CC ZINC000778595466 628319027 /nfs/dbraw/zinc/31/90/27/628319027.db2.gz OXZFCGFUOSNYFN-NWDGAFQWSA-N 1 1 279.409 2.748 20 30 CFEDMO C=CCC[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000778933490 628340118 /nfs/dbraw/zinc/34/01/18/628340118.db2.gz OJNWMASROKMCHO-RDJZCZTQSA-N 1 1 286.419 2.899 20 30 CFEDMO C=CCC[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000778933490 628340122 /nfs/dbraw/zinc/34/01/22/628340122.db2.gz OJNWMASROKMCHO-RDJZCZTQSA-N 1 1 286.419 2.899 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](C(C)C)C2)cc1 ZINC000779150723 628355874 /nfs/dbraw/zinc/35/58/74/628355874.db2.gz RUGQSWGJXHDGJG-GOSISDBHSA-N 1 1 287.403 2.946 20 30 CFEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](C(C)C)C2)cc1 ZINC000779150723 628355876 /nfs/dbraw/zinc/35/58/76/628355876.db2.gz RUGQSWGJXHDGJG-GOSISDBHSA-N 1 1 287.403 2.946 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)C[C@H]1CCCO1 ZINC000779153564 628356093 /nfs/dbraw/zinc/35/60/93/628356093.db2.gz GRJCVQQYEQAOEJ-CYBMUJFWSA-N 1 1 293.794 2.963 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)C[C@H]1CCCO1 ZINC000779153564 628356098 /nfs/dbraw/zinc/35/60/98/628356098.db2.gz GRJCVQQYEQAOEJ-CYBMUJFWSA-N 1 1 293.794 2.963 20 30 CFEDMO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000779478855 628384516 /nfs/dbraw/zinc/38/45/16/628384516.db2.gz VCVVDXZEAQXOIH-ZIAGYGMSSA-N 1 1 295.427 2.867 20 30 CFEDMO CC[N@@H+](C[C@H](C)C#N)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000779478855 628384519 /nfs/dbraw/zinc/38/45/19/628384519.db2.gz VCVVDXZEAQXOIH-ZIAGYGMSSA-N 1 1 295.427 2.867 20 30 CFEDMO Cc1nc2c(s1)[C@@H]([NH2+]C[C@H](C#N)CCC#N)CCC2 ZINC000779752134 628399675 /nfs/dbraw/zinc/39/96/75/628399675.db2.gz IAVUMRWBWSWTMD-RYUDHWBXSA-N 1 1 274.393 2.862 20 30 CFEDMO Cc1ccc(-c2ccc(C=NNC3=[NH+]C[C@H](C)N3)s2)cc1 ZINC000779792225 628406600 /nfs/dbraw/zinc/40/66/00/628406600.db2.gz QIEHIHLRMYXBRC-LBPRGKRZSA-N 1 1 298.415 2.995 20 30 CFEDMO C[C@H]1C[NH+]=C(NN=Cc2sc3ccccc3c2Cl)N1 ZINC000779797778 628407436 /nfs/dbraw/zinc/40/74/36/628407436.db2.gz JSJSBMWNIMMGFU-QMMMGPOBSA-N 1 1 292.795 2.826 20 30 CFEDMO Cc1ccc(-c2ccc(C=NNC3=[NH+]C[C@H](C)N3)o2)cc1 ZINC000779805993 628408180 /nfs/dbraw/zinc/40/81/80/628408180.db2.gz XUGOHLRYQHOSCW-LBPRGKRZSA-N 1 1 282.347 2.526 20 30 CFEDMO FC(F)(F)c1cccc(C=NNc2cc[nH+]cc2)c1 ZINC000779808998 628408692 /nfs/dbraw/zinc/40/86/92/628408692.db2.gz QVGLOFXDVYHSTK-UHFFFAOYSA-N 1 1 265.238 2.968 20 30 CFEDMO CC(C)CC(=NNc1cc[nH+]cc1)c1ccccn1 ZINC000779808553 628408730 /nfs/dbraw/zinc/40/87/30/628408730.db2.gz CFZXFBQWCKYRGX-UHFFFAOYSA-N 1 1 254.337 2.761 20 30 CFEDMO CC1(C)CC(N=Nc2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000779810465 628409187 /nfs/dbraw/zinc/40/91/87/628409187.db2.gz CBIRWZNVBXNTLP-UHFFFAOYSA-N 1 1 294.402 2.956 20 30 CFEDMO Cc1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCC2 ZINC000779809628 628409265 /nfs/dbraw/zinc/40/92/65/628409265.db2.gz ZZSWNCYALHHVFU-UHFFFAOYSA-N 1 1 251.333 2.964 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1ccc2c(c1)CCC2 ZINC000779812675 628409923 /nfs/dbraw/zinc/40/99/23/628409923.db2.gz XKYMRRNCNXXHOH-UHFFFAOYSA-N 1 1 251.333 2.828 20 30 CFEDMO COC(=O)c1cccc(N[NH+]=C(C)c2ccc(N)cc2)c1 ZINC000779827255 628412110 /nfs/dbraw/zinc/41/21/10/628412110.db2.gz ILXSEQFWCUUZOD-UHFFFAOYSA-N 1 1 283.331 2.892 20 30 CFEDMO C#CCCCCCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000779987754 628425226 /nfs/dbraw/zinc/42/52/26/628425226.db2.gz FXHNOQHQZYXYBP-HZPDHXFCSA-N 1 1 276.424 2.513 20 30 CFEDMO CC(=NN[C@H]1CCCOC1)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000780260391 628446930 /nfs/dbraw/zinc/44/69/30/628446930.db2.gz LVTDPXJIPVOOKQ-INIZCTEOSA-N 1 1 298.390 2.673 20 30 CFEDMO C#CCCCCCC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000780603130 628481947 /nfs/dbraw/zinc/48/19/47/628481947.db2.gz OSTWZXTWBWRFBH-QGZVFWFLSA-N 1 1 290.451 2.760 20 30 CFEDMO CON=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000781124045 628523159 /nfs/dbraw/zinc/52/31/59/628523159.db2.gz TZWBJQPUJIBVOM-CABCVRRESA-N 1 1 258.365 2.921 20 30 CFEDMO COc1ccc(C(N)=[NH+]OCC2CCCCC2)cc1 ZINC000781611898 628565681 /nfs/dbraw/zinc/56/56/81/628565681.db2.gz DPSICDYUQBVQGK-UHFFFAOYSA-N 1 1 262.353 2.912 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)CCCCCC#N ZINC000805696122 628573874 /nfs/dbraw/zinc/57/38/74/628573874.db2.gz WLLMZUASIOEFQI-CQSZACIVSA-N 1 1 266.385 2.878 20 30 CFEDMO C#CC[N@@H+](CC)Cc1cc(C)cc(Br)c1O ZINC000781903367 628590232 /nfs/dbraw/zinc/59/02/32/628590232.db2.gz ZWZVHNLKXSWHES-UHFFFAOYSA-N 1 1 282.181 2.918 20 30 CFEDMO C#CC[N@H+](CC)Cc1cc(C)cc(Br)c1O ZINC000781903367 628590233 /nfs/dbraw/zinc/59/02/33/628590233.db2.gz ZWZVHNLKXSWHES-UHFFFAOYSA-N 1 1 282.181 2.918 20 30 CFEDMO N#CCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000040226683 649983562 /nfs/dbraw/zinc/98/35/62/649983562.db2.gz UHMKTTYSTYLYPS-GFCCVEGCSA-N 1 1 265.154 2.940 20 30 CFEDMO C=CC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CCC ZINC000782095768 628603744 /nfs/dbraw/zinc/60/37/44/628603744.db2.gz NDBDURBAIZKUGV-CYBMUJFWSA-N 1 1 268.401 2.894 20 30 CFEDMO C=CC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1CCC ZINC000782095768 628603746 /nfs/dbraw/zinc/60/37/46/628603746.db2.gz NDBDURBAIZKUGV-CYBMUJFWSA-N 1 1 268.401 2.894 20 30 CFEDMO N#CCOc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1 ZINC000782635317 628651097 /nfs/dbraw/zinc/65/10/97/628651097.db2.gz XDEJMBYVQZSPRA-UHFFFAOYSA-N 1 1 285.372 2.604 20 30 CFEDMO N#CCOc1ccc(C[N@H+]2CCc3ncsc3C2)cc1 ZINC000782635317 628651099 /nfs/dbraw/zinc/65/10/99/628651099.db2.gz XDEJMBYVQZSPRA-UHFFFAOYSA-N 1 1 285.372 2.604 20 30 CFEDMO Clc1cc2c(c(C=NNc3cc[nH+]cc3)c1)OCC2 ZINC000782907987 628663196 /nfs/dbraw/zinc/66/31/96/628663196.db2.gz OGTLASIYUKFAEO-UHFFFAOYSA-N 1 1 273.723 2.538 20 30 CFEDMO C#CC[C@H](OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)C ZINC000810605313 628707190 /nfs/dbraw/zinc/70/71/90/628707190.db2.gz HCQDNEJGALZQJF-XJKSGUPXSA-N 1 1 283.387 2.790 20 30 CFEDMO CCCCCCO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000783558961 628720039 /nfs/dbraw/zinc/72/00/39/628720039.db2.gz MDXBVARGYIVJQR-UHFFFAOYSA-N 1 1 262.353 2.839 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@H]2C)cc1 ZINC000783738935 628740198 /nfs/dbraw/zinc/74/01/98/628740198.db2.gz ZKTQYRQFPYNMFV-LXTVHRRPSA-N 1 1 288.391 2.975 20 30 CFEDMO Cc1nn(-c2cc[nH+]cc2)cc1CN=Nc1ccc(F)cn1 ZINC000783842985 628749160 /nfs/dbraw/zinc/74/91/60/628749160.db2.gz REUWUZMFPUKCNK-UHFFFAOYSA-N 1 1 296.309 2.556 20 30 CFEDMO N#Cc1ccc(N=NC2CC[N@H+]3CCC[C@@H]23)cc1Cl ZINC000783877498 628752912 /nfs/dbraw/zinc/75/29/12/628752912.db2.gz LGOHTCOZSNOTHO-AWEZNQCLSA-N 1 1 274.755 2.848 20 30 CFEDMO C=CC[N@H+](CN1C[C@@H](c2ccccc2F)CC1=O)C(C)C ZINC000783971780 628759076 /nfs/dbraw/zinc/75/90/76/628759076.db2.gz BWKDNNRUGWVPKV-AWEZNQCLSA-N 1 1 290.382 2.996 20 30 CFEDMO C=CC[N@@H+](CN1C[C@@H](c2ccccc2F)CC1=O)C(C)C ZINC000783971780 628759077 /nfs/dbraw/zinc/75/90/77/628759077.db2.gz BWKDNNRUGWVPKV-AWEZNQCLSA-N 1 1 290.382 2.996 20 30 CFEDMO N#Cc1ccc(CO[NH+]=C(N)C2CCOCC2)c(Cl)c1 ZINC000783985720 628759935 /nfs/dbraw/zinc/75/99/35/628759935.db2.gz 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/nfs/dbraw/zinc/88/44/32/628884432.db2.gz CVBJYPPNESRXAR-ZIAGYGMSSA-N 1 1 251.418 2.682 20 30 CFEDMO CC(C)=CCC[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000852211830 634691251 /nfs/dbraw/zinc/69/12/51/634691251.db2.gz XJOLHNRXYIGAME-MRXNPFEDSA-N 1 1 258.365 2.880 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)CC1CC(O)C1 ZINC000785985976 628928746 /nfs/dbraw/zinc/92/87/46/628928746.db2.gz YWAKBOANMMXJGM-UHFFFAOYSA-N 1 1 293.794 2.555 20 30 CFEDMO C=CCC[N@@H+](C)CN1C(=O)N[C@](C)(CCCCCC)C1=O ZINC000786101584 628936898 /nfs/dbraw/zinc/93/68/98/628936898.db2.gz NDZPQCRLNDZGNI-MRXNPFEDSA-N 1 1 295.427 2.733 20 30 CFEDMO C=CCC[N@H+](C)CN1C(=O)N[C@](C)(CCCCCC)C1=O ZINC000786101584 628936900 /nfs/dbraw/zinc/93/69/00/628936900.db2.gz NDZPQCRLNDZGNI-MRXNPFEDSA-N 1 1 295.427 2.733 20 30 CFEDMO O=C(OCC#Cc1ccccc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000786884901 628983149 /nfs/dbraw/zinc/98/31/49/628983149.db2.gz XYDKLFVQCFRHJC-SFHVURJKSA-N 1 1 297.398 2.988 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000787311227 629005932 /nfs/dbraw/zinc/00/59/32/629005932.db2.gz UIPBAZWUFYPRLG-LBPRGKRZSA-N 1 1 292.335 2.850 20 30 CFEDMO C#CC[NH+](CC#C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000787405327 629011604 /nfs/dbraw/zinc/01/16/04/629011604.db2.gz CWCOXLQVMSVIMW-SDNWHVSQSA-N 1 1 268.316 2.567 20 30 CFEDMO C#CCC1(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000788446505 629068612 /nfs/dbraw/zinc/06/86/12/629068612.db2.gz BJRXRKJSCIFPGS-HZPDHXFCSA-N 1 1 290.451 2.901 20 30 CFEDMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=NN[C@H]2CCOC2)C3)cc1 ZINC000788452100 629069090 /nfs/dbraw/zinc/06/90/90/629069090.db2.gz JGDYUEDIDPUNGT-RYQLBKOJSA-N 1 1 299.418 2.548 20 30 CFEDMO C#CCC1(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)CCCCC1 ZINC000788453797 629069320 /nfs/dbraw/zinc/06/93/20/629069320.db2.gz FFNRVDBRIWUGNI-HOTGVXAUSA-N 1 1 290.451 2.901 20 30 CFEDMO C#CCC1(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)CCCCC1 ZINC000788453801 629069356 /nfs/dbraw/zinc/06/93/56/629069356.db2.gz FFNRVDBRIWUGNI-JKSUJKDBSA-N 1 1 290.451 2.901 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000788846160 629104605 /nfs/dbraw/zinc/10/46/05/629104605.db2.gz GYNUVHYUFTXQQB-LJQANCHMSA-N 1 1 277.367 2.760 20 30 CFEDMO CC(=[NH+]NCCc1ccccn1)c1ccc(N)cc1Cl ZINC000789125216 629128098 /nfs/dbraw/zinc/12/80/98/629128098.db2.gz UHPFLICZYXHSHJ-UHFFFAOYSA-N 1 1 288.782 2.874 20 30 CFEDMO CCCCCCCCC[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000789354446 629150306 /nfs/dbraw/zinc/15/03/06/629150306.db2.gz IUANECLHVPCMFI-INIZCTEOSA-N 1 1 266.429 2.949 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CCCCCO)cc1 ZINC000789763604 629185989 /nfs/dbraw/zinc/18/59/89/629185989.db2.gz MJHXKGSVDQIOSZ-CQSZACIVSA-N 1 1 276.380 2.572 20 30 CFEDMO CC[C@H](C)NN=C1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000790190879 629218235 /nfs/dbraw/zinc/21/82/35/629218235.db2.gz RVEWXIREVDHXLT-KGLIPLIRSA-N 1 1 274.412 2.668 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1nccn1C ZINC000790302279 629228212 /nfs/dbraw/zinc/22/82/12/629228212.db2.gz LWTHZYDVROPMMW-CQSZACIVSA-N 1 1 297.406 2.730 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000852318992 634720039 /nfs/dbraw/zinc/72/00/39/634720039.db2.gz DQQHLZMJMKJVSX-IAQYHMDHSA-N 1 1 280.318 2.624 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](C[C@@H](O)c2cc(F)ccc2F)C1 ZINC000852318992 634720042 /nfs/dbraw/zinc/72/00/42/634720042.db2.gz DQQHLZMJMKJVSX-IAQYHMDHSA-N 1 1 280.318 2.624 20 30 CFEDMO Cc1c(C[N@H+](C)Cc2ccc(O[C@@H](C)C#N)cc2)cnn1C ZINC000790937067 629272208 /nfs/dbraw/zinc/27/22/08/629272208.db2.gz FHUBUMKPBHKPMN-ZDUSSCGKSA-N 1 1 298.390 2.651 20 30 CFEDMO C#C[C@H](CCC)NC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000791016914 629280917 /nfs/dbraw/zinc/28/09/17/629280917.db2.gz HZMIRJNMIDORIG-LSDHHAIUSA-N 1 1 293.455 2.598 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328526 634723175 /nfs/dbraw/zinc/72/31/75/634723175.db2.gz HAPATNUFZBLRTR-MRXNPFEDSA-N 1 1 255.365 2.905 20 30 CFEDMO C=CCCC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852328526 634723181 /nfs/dbraw/zinc/72/31/81/634723181.db2.gz HAPATNUFZBLRTR-MRXNPFEDSA-N 1 1 255.365 2.905 20 30 CFEDMO CC[C@H](C)C[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330588 634723536 /nfs/dbraw/zinc/72/35/36/634723536.db2.gz RHVQHRISJBPJHR-HOCLYGCPSA-N 1 1 257.381 2.985 20 30 CFEDMO CC[C@H](C)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852330588 634723540 /nfs/dbraw/zinc/72/35/40/634723540.db2.gz RHVQHRISJBPJHR-HOCLYGCPSA-N 1 1 257.381 2.985 20 30 CFEDMO CCOC1CC(C[N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)C1 ZINC000852331875 634724051 /nfs/dbraw/zinc/72/40/51/634724051.db2.gz DIGQNNGFCRNEJK-HTWSVDAQSA-N 1 1 299.418 2.754 20 30 CFEDMO CCOC1CC(C[N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)C1 ZINC000852331875 634724055 /nfs/dbraw/zinc/72/40/55/634724055.db2.gz DIGQNNGFCRNEJK-HTWSVDAQSA-N 1 1 299.418 2.754 20 30 CFEDMO C#C[C@@H](CCC)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000791743240 629351389 /nfs/dbraw/zinc/35/13/89/629351389.db2.gz OKHZTTUZTPHTSO-ROUUACIJSA-N 1 1 298.430 2.817 20 30 CFEDMO C#C[C@@H](CCC)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000791744967 629351867 /nfs/dbraw/zinc/35/18/67/629351867.db2.gz JGDXJPVODMCGSC-DLBZAZTESA-N 1 1 284.403 2.569 20 30 CFEDMO C=CC[N@H+](CC[C@H](O)c1ccccc1)[C@@H](C)COC ZINC000852356895 634730831 /nfs/dbraw/zinc/73/08/31/634730831.db2.gz RDIWLLBDMDBHIF-HOCLYGCPSA-N 1 1 263.381 2.633 20 30 CFEDMO C=CC[N@@H+](Cc1cccc2nsnc21)[C@@H](C)COC ZINC000852358617 634732388 /nfs/dbraw/zinc/73/23/88/634732388.db2.gz VZMKUIIUYLZWKX-NSHDSACASA-N 1 1 277.393 2.714 20 30 CFEDMO C=CC[N@@H+](Cc1cccc(Br)n1)[C@@H](C)COC ZINC000852357287 634732477 /nfs/dbraw/zinc/73/24/77/634732477.db2.gz ZZIGGALTRSVNIO-NSHDSACASA-N 1 1 299.212 2.867 20 30 CFEDMO CCCCCCCCC[N@@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000792299142 629418798 /nfs/dbraw/zinc/41/87/98/629418798.db2.gz MVWRHMFIUCWGRU-LSDHHAIUSA-N 1 1 285.428 2.735 20 30 CFEDMO CCCCCCCCC[N@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000792299142 629418799 /nfs/dbraw/zinc/41/87/99/629418799.db2.gz MVWRHMFIUCWGRU-LSDHHAIUSA-N 1 1 285.428 2.735 20 30 CFEDMO C#C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000852392493 634737099 /nfs/dbraw/zinc/73/70/99/634737099.db2.gz MKJWTWNLLKGPIU-HOTGVXAUSA-N 1 1 299.418 2.533 20 30 CFEDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000852422919 634742423 /nfs/dbraw/zinc/74/24/23/634742423.db2.gz NFONFCQKWSKESY-YOEHRIQHSA-N 1 1 288.391 2.572 20 30 CFEDMO C#CCOCC[N@H+]1CC2(CCCC2)[C@H]1c1ccco1 ZINC000852426297 634744343 /nfs/dbraw/zinc/74/43/43/634744343.db2.gz JPZJHZPQXJCVOW-OAHLLOKOSA-N 1 1 259.349 2.847 20 30 CFEDMO CC[N@@H+](CC1CCC1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793514725 629558283 /nfs/dbraw/zinc/55/82/83/629558283.db2.gz GUWDPMMSBCZOOX-UHFFFAOYSA-N 1 1 299.418 2.678 20 30 CFEDMO C=CCCCCC[C@H](C)[NH2+]C[C@H](C)N1CCN(C)CC1 ZINC000793522453 629561004 /nfs/dbraw/zinc/56/10/04/629561004.db2.gz ADJXUOHNJDDSAN-IRXDYDNUSA-N 1 1 281.488 2.737 20 30 CFEDMO C#CC[N@H+](CC)Cc1cccc(I)c1 ZINC000793585528 629575123 /nfs/dbraw/zinc/57/51/23/629575123.db2.gz VRHGDNXJHGETNM-UHFFFAOYSA-N 1 1 299.155 2.746 20 30 CFEDMO C[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H]1CCO ZINC000852455167 634749516 /nfs/dbraw/zinc/74/95/16/634749516.db2.gz FBAKTRPXYFPLBB-RHSMWYFYSA-N 1 1 288.391 2.572 20 30 CFEDMO COCCCNN=C(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794542742 629658580 /nfs/dbraw/zinc/65/85/80/629658580.db2.gz XQGVJEJVDLCNHU-KRWDZBQOSA-N 1 1 289.423 2.511 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000794807767 629688611 /nfs/dbraw/zinc/68/86/11/629688611.db2.gz PHFNPZKOAGXJQI-HNNXBMFYSA-N 1 1 279.767 2.556 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000794807767 629688615 /nfs/dbraw/zinc/68/86/15/629688615.db2.gz PHFNPZKOAGXJQI-HNNXBMFYSA-N 1 1 279.767 2.556 20 30 CFEDMO Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cc(C#N)ccc1F ZINC000794817766 629690440 /nfs/dbraw/zinc/69/04/40/629690440.db2.gz QGUYRZFJCRKJQZ-HNNXBMFYSA-N 1 1 284.338 2.598 20 30 CFEDMO COCCN(C)N=C1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000794974816 629713607 /nfs/dbraw/zinc/71/36/07/629713607.db2.gz QNGGFJVTKGUOOM-HNNXBMFYSA-N 1 1 289.423 2.605 20 30 CFEDMO C#CC[N@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000795401806 629772225 /nfs/dbraw/zinc/77/22/25/629772225.db2.gz JFOVDYFYUXKKIY-LLVKDONJSA-N 1 1 266.747 2.623 20 30 CFEDMO C#CC[N@@H+]1CCN(c2ccc(Cl)c(F)c2)C[C@H]1C ZINC000795401806 629772228 /nfs/dbraw/zinc/77/22/28/629772228.db2.gz JFOVDYFYUXKKIY-LLVKDONJSA-N 1 1 266.747 2.623 20 30 CFEDMO Cc1cc(C#N)ccc1C(=O)OCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000835600552 629869838 /nfs/dbraw/zinc/86/98/38/629869838.db2.gz WNBQKTLKFYRRBW-MQVJKMGUSA-N 1 1 298.386 2.896 20 30 CFEDMO COc1ccc([C@H]2CCC[N@H+]2CCO[C@@H](C)C#N)cc1F ZINC000852521384 634770492 /nfs/dbraw/zinc/77/04/92/634770492.db2.gz OKPVMXQPUHFGIY-SWLSCSKDSA-N 1 1 292.354 2.900 20 30 CFEDMO C#CCCC[N@@H+]1CCCC[C@@H]1COC(=O)NCCCC ZINC000796161781 629884969 /nfs/dbraw/zinc/88/49/69/629884969.db2.gz CWJPEJVUDVEMCM-OAHLLOKOSA-N 1 1 280.412 2.781 20 30 CFEDMO COc1cccc([C@]2(C)CC[N@@H+](CCO[C@@H](C)C#N)C2)c1 ZINC000852535456 634773379 /nfs/dbraw/zinc/77/33/79/634773379.db2.gz DNWPBODKJAHMRZ-WMLDXEAASA-N 1 1 288.391 2.587 20 30 CFEDMO C=C(C)C[N@H+](CCC1OCCO1)Cc1cnn(C(C)C)c1 ZINC000796453931 629919766 /nfs/dbraw/zinc/91/97/66/629919766.db2.gz OPHDMIXGVHPNML-UHFFFAOYSA-N 1 1 293.411 2.605 20 30 CFEDMO C#CC[C@H]([NH2+]Cc1ccnc(C)n1)c1ccccc1 ZINC000796451758 629919911 /nfs/dbraw/zinc/91/99/11/629919911.db2.gz YYOVLJCAGQPABI-INIZCTEOSA-N 1 1 251.333 2.639 20 30 CFEDMO COc1cc(C#N)ccc1C[NH+]1CCC(F)(F)CC1 ZINC000796537051 629931962 /nfs/dbraw/zinc/93/19/62/629931962.db2.gz GIIBUODRXSRWQY-UHFFFAOYSA-N 1 1 266.291 2.798 20 30 CFEDMO CCCCCCC[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000796554372 629934949 /nfs/dbraw/zinc/93/49/49/629934949.db2.gz IACYJERSYIWHJA-HUUCEWRRSA-N 1 1 255.402 2.837 20 30 CFEDMO C#CC[N@H+](CCCSCCOC)Cc1ccccc1 ZINC000796631932 629943008 /nfs/dbraw/zinc/94/30/08/629943008.db2.gz KKRGSNQSENFILB-UHFFFAOYSA-N 1 1 277.433 2.892 20 30 CFEDMO C#CCN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000796632585 629943046 /nfs/dbraw/zinc/94/30/46/629943046.db2.gz MSCKWXKPPDFXLC-KRWDZBQOSA-N 1 1 256.393 2.606 20 30 CFEDMO C#CC[N@H+](Cc1ccccc1)[C@H]1CCCN(C(C)C)C1=O ZINC000796641226 629944515 /nfs/dbraw/zinc/94/45/15/629944515.db2.gz NCJFBVWKFFEZIX-KRWDZBQOSA-N 1 1 284.403 2.521 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(C)C)C1=O ZINC000796641226 629944518 /nfs/dbraw/zinc/94/45/18/629944518.db2.gz NCJFBVWKFFEZIX-KRWDZBQOSA-N 1 1 284.403 2.521 20 30 CFEDMO C=CC[N@H+](C[C@H](O)P(=O)(OCC)OCC)C(C)(C)C ZINC000852554488 634777850 /nfs/dbraw/zinc/77/78/50/634777850.db2.gz ONQAMCLHKJAUJP-GFCCVEGCSA-N 1 1 293.344 2.857 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc(C(C)C)oc1C ZINC000796990525 630000563 /nfs/dbraw/zinc/00/05/63/630000563.db2.gz XGABPWJCBUWZFH-AWEZNQCLSA-N 1 1 289.375 2.966 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc(C(C)C)oc1C ZINC000796990525 630000565 /nfs/dbraw/zinc/00/05/65/630000565.db2.gz XGABPWJCBUWZFH-AWEZNQCLSA-N 1 1 289.375 2.966 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C(C1CCC1)C1CCC1 ZINC000796988628 630000672 /nfs/dbraw/zinc/00/06/72/630000672.db2.gz LCJMFPKWMJXYJF-INIZCTEOSA-N 1 1 289.419 2.844 20 30 CFEDMO Cc1cc(C[NH2+]Cc2ccc(C#N)cn2)cc(Cl)n1 ZINC000797603578 630087855 /nfs/dbraw/zinc/08/78/55/630087855.db2.gz QFMJGCKVNGNRSM-UHFFFAOYSA-N 1 1 272.739 2.600 20 30 CFEDMO C#C[C@@H](NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000798513567 630198504 /nfs/dbraw/zinc/19/85/04/630198504.db2.gz GJZVORCQISFCGT-JKSUJKDBSA-N 1 1 293.455 2.598 20 30 CFEDMO CC(C)[C@H](C(=O)[C@@H](C#N)c1ccc2ccccc2n1)[NH+](C)C ZINC000798814304 630240599 /nfs/dbraw/zinc/24/05/99/630240599.db2.gz KCFKKBMPUKOUIH-WMLDXEAASA-N 1 1 295.386 2.997 20 30 CFEDMO C#C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000799043696 630268906 /nfs/dbraw/zinc/26/89/06/630268906.db2.gz BKIOROCSDMIXEQ-ZWKOTPCHSA-N 1 1 298.430 2.673 20 30 CFEDMO N#CC1(CCCO[NH+]=C(N)C2CCCC2)CCOCC1 ZINC000799174114 630283232 /nfs/dbraw/zinc/28/32/32/630283232.db2.gz AOUKEZRZBQUJEZ-UHFFFAOYSA-N 1 1 279.384 2.776 20 30 CFEDMO CC(C)CC(N)=[NH+]OCCCC1(C#N)CCOCC1 ZINC000799175060 630283272 /nfs/dbraw/zinc/28/32/72/630283272.db2.gz RTKONHRBUUSQFG-UHFFFAOYSA-N 1 1 267.373 2.632 20 30 CFEDMO N#Cc1ccccc1OCC[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799196325 630287961 /nfs/dbraw/zinc/28/79/61/630287961.db2.gz MUJUOCASZNFZSG-MRXNPFEDSA-N 1 1 293.370 2.822 20 30 CFEDMO O=C1C=C([NH2+]Nc2cccc(Cl)c2)[C@H]2CCCCN12 ZINC000799465798 630311126 /nfs/dbraw/zinc/31/11/26/630311126.db2.gz PSZAMXRMWXRZII-CYBMUJFWSA-N 1 1 277.755 2.893 20 30 CFEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)[C@@H](C)C1 ZINC000799735988 630342214 /nfs/dbraw/zinc/34/22/14/630342214.db2.gz FHDVNBILLWADFL-JJRVBVJISA-N 1 1 288.391 2.977 20 30 CFEDMO C[C@]1(C#N)CC[N@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000852685729 634805727 /nfs/dbraw/zinc/80/57/27/634805727.db2.gz CPMWQXTZODKQNL-CZUORRHYSA-N 1 1 270.332 2.702 20 30 CFEDMO C[C@]1(C#N)CC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)C1 ZINC000852685729 634805733 /nfs/dbraw/zinc/80/57/33/634805733.db2.gz CPMWQXTZODKQNL-CZUORRHYSA-N 1 1 270.332 2.702 20 30 CFEDMO C#CCNC(=O)C[N@@H+](C(C)C)[C@@H](CC)c1ccccc1 ZINC000852693795 634809013 /nfs/dbraw/zinc/80/90/13/634809013.db2.gz LMDDKHUMVDFYEA-INIZCTEOSA-N 1 1 272.392 2.598 20 30 CFEDMO C#CCCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000800501163 630393335 /nfs/dbraw/zinc/39/33/35/630393335.db2.gz YPNRXJGTDWUUTL-HNNXBMFYSA-N 1 1 272.392 2.551 20 30 CFEDMO C#CC[N@H+](Cc1ccc(OC)cc1OC)[C@@H](C)C1CC1 ZINC000801588259 630460631 /nfs/dbraw/zinc/46/06/31/630460631.db2.gz JOTYAGFVQMPPRE-ZDUSSCGKSA-N 1 1 273.376 2.938 20 30 CFEDMO C=CC[N@H+](CCO[C@@H](C)C#N)Cc1cccs1 ZINC000801910701 630483960 /nfs/dbraw/zinc/48/39/60/630483960.db2.gz VRSKXRQQLCIWQO-LBPRGKRZSA-N 1 1 250.367 2.665 20 30 CFEDMO C=CCN1CCN(C[N@H+](CC)C2CCCCC2)C1=O ZINC000839947637 630485091 /nfs/dbraw/zinc/48/50/91/630485091.db2.gz AJKDRDCWMUJZNO-UHFFFAOYSA-N 1 1 265.401 2.522 20 30 CFEDMO C=CC[N@H+](CCO[C@H](C)C#N)Cc1ccc(OC)cc1 ZINC000801913091 630485905 /nfs/dbraw/zinc/48/59/05/630485905.db2.gz PGMPQHLQEXLSNZ-CQSZACIVSA-N 1 1 274.364 2.612 20 30 CFEDMO C[C@H](C#N)OCC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000801913368 630485978 /nfs/dbraw/zinc/48/59/78/630485978.db2.gz UIQQFAKIPSQRGP-GHMZBOCLSA-N 1 1 268.307 2.886 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000801913368 630485981 /nfs/dbraw/zinc/48/59/81/630485981.db2.gz UIQQFAKIPSQRGP-GHMZBOCLSA-N 1 1 268.307 2.886 20 30 CFEDMO COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)CCO[C@H](C)C#N ZINC000801913501 630486172 /nfs/dbraw/zinc/48/61/72/630486172.db2.gz FUMYXQXCHHJWGR-CXAGYDPISA-N 1 1 288.391 2.933 20 30 CFEDMO C=CC[N@@H+](CCO[C@H](C)C#N)Cc1ccccc1F ZINC000801913623 630486226 /nfs/dbraw/zinc/48/62/26/630486226.db2.gz YVBGLKAYQMKWCY-CYBMUJFWSA-N 1 1 262.328 2.742 20 30 CFEDMO C=CC[N@H+](CCO[C@H](C)C#N)Cc1ccccc1F ZINC000801913623 630486228 /nfs/dbraw/zinc/48/62/28/630486228.db2.gz YVBGLKAYQMKWCY-CYBMUJFWSA-N 1 1 262.328 2.742 20 30 CFEDMO CC[C@@H]1c2ccsc2CC[N@@H+]1CCO[C@H](C)C#N ZINC000801915540 630486695 /nfs/dbraw/zinc/48/66/95/630486695.db2.gz RRBYLNLZWOMVRV-DGCLKSJQSA-N 1 1 264.394 2.986 20 30 CFEDMO C[C@H](C#N)OCCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000801922288 630488703 /nfs/dbraw/zinc/48/87/03/630488703.db2.gz VESOSOPBZKKGOR-BBWFWOEESA-N 1 1 293.455 2.501 20 30 CFEDMO C#CC[N@@H+](CC)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801923991 630489500 /nfs/dbraw/zinc/48/95/00/630489500.db2.gz HTGUXBANTRYBJA-OAHLLOKOSA-N 1 1 294.439 2.979 20 30 CFEDMO CC[C@H]1CN(C)c2ccccc2C[N@H+]1CCO[C@H](C)C#N ZINC000801926436 630489641 /nfs/dbraw/zinc/48/96/41/630489641.db2.gz QMNAVXDQGSNEGI-ZBFHGGJFSA-N 1 1 287.407 2.646 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000801930977 630490052 /nfs/dbraw/zinc/49/00/52/630490052.db2.gz KLZAITUGMJNTGT-PVAVHDDUSA-N 1 1 288.391 2.503 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000801935912 630491800 /nfs/dbraw/zinc/49/18/00/630491800.db2.gz NBKDKLOXYDRKID-JTQLQIEISA-N 1 1 270.735 2.840 20 30 CFEDMO CCC1(CC)C[N@@H+](CCO[C@@H](C)C#N)CCS1 ZINC000801941309 630493053 /nfs/dbraw/zinc/49/30/53/630493053.db2.gz LEVOZSNWJHZWFE-LBPRGKRZSA-N 1 1 256.415 2.523 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC000801949553 630494406 /nfs/dbraw/zinc/49/44/06/630494406.db2.gz NEZJLZIVMWCDNE-NSHDSACASA-N 1 1 264.756 2.627 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCc2cc(Cl)ccc2C1 ZINC000801949553 630494408 /nfs/dbraw/zinc/49/44/08/630494408.db2.gz NEZJLZIVMWCDNE-NSHDSACASA-N 1 1 264.756 2.627 20 30 CFEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H](C)[C@H](C)C1=O ZINC000839965209 630528319 /nfs/dbraw/zinc/52/83/19/630528319.db2.gz WMKGFXWPVHBTBD-GJZGRUSLSA-N 1 1 299.418 2.842 20 30 CFEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H](C)[C@H](C)C1=O ZINC000839965209 630528322 /nfs/dbraw/zinc/52/83/22/630528322.db2.gz WMKGFXWPVHBTBD-GJZGRUSLSA-N 1 1 299.418 2.842 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)CN1C[C@H]2CCC[C@H]2C1=O ZINC000839976780 630538140 /nfs/dbraw/zinc/53/81/40/630538140.db2.gz OYIQXJSCNZVTDQ-QZTJIDSGSA-N 1 1 298.430 2.933 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)CN1C[C@H]2CCC[C@H]2C1=O ZINC000839976780 630538143 /nfs/dbraw/zinc/53/81/43/630538143.db2.gz OYIQXJSCNZVTDQ-QZTJIDSGSA-N 1 1 298.430 2.933 20 30 CFEDMO CC(C)CCC(=NNCCC[NH+]1CCOCC1)C1CC1 ZINC000802713310 630540348 /nfs/dbraw/zinc/54/03/48/630540348.db2.gz IFKOWBWJZZHQAG-UHFFFAOYSA-N 1 1 281.444 2.501 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1ccc(N(C)CC)cc1 ZINC000852748830 634823661 /nfs/dbraw/zinc/82/36/61/634823661.db2.gz HWJCGXFFFPMXHS-UHFFFAOYSA-N 1 1 274.408 2.614 20 30 CFEDMO C=CCN1CCN(C[N@H+](C)C[C@@H](C)c2ccccc2)C1=O ZINC000839988589 630579523 /nfs/dbraw/zinc/57/95/23/630579523.db2.gz PJPDHRUEQVNVIK-OAHLLOKOSA-N 1 1 287.407 2.603 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1ccc2ncccc2c1 ZINC000852748911 634823809 /nfs/dbraw/zinc/82/38/09/634823809.db2.gz KULDNPXMCBJKGE-UHFFFAOYSA-N 1 1 268.360 2.707 20 30 CFEDMO C#CCC[N@H+](CCCc1cccc(F)c1)CCOC ZINC000852750740 634824962 /nfs/dbraw/zinc/82/49/62/634824962.db2.gz DRQTWPKOZGXQIS-UHFFFAOYSA-N 1 1 263.356 2.730 20 30 CFEDMO C#CCC[N@@H+](CCOC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000852752121 634825405 /nfs/dbraw/zinc/82/54/05/634825405.db2.gz UACHGMQDLIFWJP-UHFFFAOYSA-N 1 1 296.754 2.720 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000852752121 634825412 /nfs/dbraw/zinc/82/54/12/634825412.db2.gz UACHGMQDLIFWJP-UHFFFAOYSA-N 1 1 296.754 2.720 20 30 CFEDMO C=CC[N@@H+](CC1CCCCC1)CN1CC[C@@H](C)C1=O ZINC000839997967 630602207 /nfs/dbraw/zinc/60/22/07/630602207.db2.gz XQMDJAREDITTAR-CQSZACIVSA-N 1 1 264.413 2.881 20 30 CFEDMO C#CCC[N@H+](CCCOc1ccccc1C)CCOC ZINC000852751899 634825599 /nfs/dbraw/zinc/82/55/99/634825599.db2.gz NZTGUVJGAGMBDX-UHFFFAOYSA-N 1 1 275.392 2.736 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1cc(-c2ccccc2)no1 ZINC000852751637 634825781 /nfs/dbraw/zinc/82/57/81/634825781.db2.gz JFKXMRYISOQOBH-UHFFFAOYSA-N 1 1 284.359 2.813 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)OCc1ccc(C#N)cc1 ZINC000803856532 630648277 /nfs/dbraw/zinc/64/82/77/630648277.db2.gz QGOYRWLBEUUKOU-MRXNPFEDSA-N 1 1 286.375 2.866 20 30 CFEDMO C=CCN1CCN(C[N@H+]2C[C@H](C)[C@@H]2c2ccccc2)C1=O ZINC000840017684 630655449 /nfs/dbraw/zinc/65/54/49/630655449.db2.gz ZXAXLVWHJVEJKE-GOEBONIOSA-N 1 1 285.391 2.561 20 30 CFEDMO C=CCN1CCN(C[N@@H+]2C[C@H](C)[C@@H]2c2ccccc2)C1=O ZINC000840017684 630655453 /nfs/dbraw/zinc/65/54/53/630655453.db2.gz ZXAXLVWHJVEJKE-GOEBONIOSA-N 1 1 285.391 2.561 20 30 CFEDMO C#CCC[N@H+](CCOC)CCC(=O)c1ccc(C)cc1 ZINC000852748881 634823363 /nfs/dbraw/zinc/82/33/63/634823363.db2.gz JTJJUIRJZDOHAR-UHFFFAOYSA-N 1 1 273.376 2.540 20 30 CFEDMO C#C[C@H](NC(=O)C[N@H+](C)CCCCCC)C(C)(C)C ZINC000807877979 630916679 /nfs/dbraw/zinc/91/66/79/630916679.db2.gz CKYFSJQOGHUMFR-AWEZNQCLSA-N 1 1 266.429 2.663 20 30 CFEDMO C#C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)C(C)(C)C ZINC000807882741 630919192 /nfs/dbraw/zinc/91/91/92/630919192.db2.gz ZAUYWVLLZLWXLF-SJORKVTESA-N 1 1 298.430 2.815 20 30 CFEDMO C[C@H]1C[N@H+](Cc2ccccc2)CC1=NN[C@H]1CCSC1 ZINC000808001431 630937421 /nfs/dbraw/zinc/93/74/21/630937421.db2.gz KNBGANPIPQSQHK-ZFWWWQNUSA-N 1 1 289.448 2.589 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NN[C@H]1CCSC1 ZINC000808001431 630937423 /nfs/dbraw/zinc/93/74/23/630937423.db2.gz KNBGANPIPQSQHK-ZFWWWQNUSA-N 1 1 289.448 2.589 20 30 CFEDMO C[C@@H]1CC(=NN[C@H]2CCSC2)C[N@@H+]1Cc1ccccc1 ZINC000808003855 630939244 /nfs/dbraw/zinc/93/92/44/630939244.db2.gz XFHLXOHLUHGJIC-HIFRSBDPSA-N 1 1 289.448 2.732 20 30 CFEDMO C[C@@H]1CC(=NN[C@H]2CCSC2)C[N@H+]1Cc1ccccc1 ZINC000808003855 630939248 /nfs/dbraw/zinc/93/92/48/630939248.db2.gz XFHLXOHLUHGJIC-HIFRSBDPSA-N 1 1 289.448 2.732 20 30 CFEDMO C=CC[N@H+](CN1CCN(c2ccccc2)C1=O)C(C)C ZINC000808142425 630957572 /nfs/dbraw/zinc/95/75/72/630957572.db2.gz RNTRRNSEGCAVRK-UHFFFAOYSA-N 1 1 273.380 2.783 20 30 CFEDMO C=CC[N@@H+](CN1CCN(c2ccccc2)C1=O)C(C)C ZINC000808142425 630957574 /nfs/dbraw/zinc/95/75/74/630957574.db2.gz RNTRRNSEGCAVRK-UHFFFAOYSA-N 1 1 273.380 2.783 20 30 CFEDMO CCc1ccc(C#CC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000837189009 630971753 /nfs/dbraw/zinc/97/17/53/630971753.db2.gz GVCAMJPYXJHFFV-SFHVURJKSA-N 1 1 298.430 2.542 20 30 CFEDMO C#C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1CC)C(C)(C)C ZINC000808271372 630973873 /nfs/dbraw/zinc/97/38/73/630973873.db2.gz RGZYFRISPBOSGY-CABCVRRESA-N 1 1 293.455 2.598 20 30 CFEDMO C#C[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1CC)C(C)(C)C ZINC000808271374 630974132 /nfs/dbraw/zinc/97/41/32/630974132.db2.gz RGZYFRISPBOSGY-HUUCEWRRSA-N 1 1 293.455 2.598 20 30 CFEDMO CCCC[C@@H](ON=C(C)C)C(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC000855360189 635517194 /nfs/dbraw/zinc/51/71/94/635517194.db2.gz IVUWDJWVCGGZDH-LSDHHAIUSA-N 1 1 297.443 2.510 20 30 CFEDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000837419048 631024355 /nfs/dbraw/zinc/02/43/55/631024355.db2.gz IOXWAWHSIKZDMA-RDJZCZTQSA-N 1 1 288.435 2.513 20 30 CFEDMO CC(C)(C)C#CC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000837417590 631024379 /nfs/dbraw/zinc/02/43/79/631024379.db2.gz AADPOJIULDGQFT-KRWDZBQOSA-N 1 1 298.430 2.817 20 30 CFEDMO CC(C)(C)C#CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000837489712 631046032 /nfs/dbraw/zinc/04/60/32/631046032.db2.gz RRYJAXLHGSJXFH-HOCLYGCPSA-N 1 1 288.435 2.511 20 30 CFEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000808778132 631046776 /nfs/dbraw/zinc/04/67/76/631046776.db2.gz NLMRKZGUBVVIIC-SJORKVTESA-N 1 1 298.386 2.894 20 30 CFEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000808778132 631046782 /nfs/dbraw/zinc/04/67/82/631046782.db2.gz NLMRKZGUBVVIIC-SJORKVTESA-N 1 1 298.386 2.894 20 30 CFEDMO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C#CC1CC1 ZINC000837506559 631050764 /nfs/dbraw/zinc/05/07/64/631050764.db2.gz AQRNMMVYFPCYEQ-HOTGVXAUSA-N 1 1 296.414 2.521 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C#CC1CC1 ZINC000837506559 631050769 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1 1 278.359 2.721 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@@H](c2ccccn2)CC1=O ZINC000853598467 635046067 /nfs/dbraw/zinc/04/60/67/635046067.db2.gz RPGHXBJAXLUFTI-HRCADAONSA-N 1 1 297.402 2.538 20 30 CFEDMO CC[N@H+]1CCCN(c2snc(Cl)c2C#N)[C@H](C)C1 ZINC000853686966 635075008 /nfs/dbraw/zinc/07/50/08/635075008.db2.gz ONEPFLAYECQHDD-SECBINFHSA-N 1 1 284.816 2.589 20 30 CFEDMO C=CC[C@H]1CCCN(c2nc(N3CCCC3)cc[nH+]2)C1 ZINC000853801839 635112166 /nfs/dbraw/zinc/11/21/66/635112166.db2.gz KQYPMJZZQYTESK-AWEZNQCLSA-N 1 1 272.396 2.869 20 30 CFEDMO C#C[C@](C)(CC)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000854701542 635373949 /nfs/dbraw/zinc/37/39/49/635373949.db2.gz CUQUPTAEEUYEPI-MRXNPFEDSA-N 1 1 264.413 2.559 20 30 CFEDMO CC(C)C#CC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000854818460 635400516 /nfs/dbraw/zinc/40/05/16/635400516.db2.gz MOHKNXSQGLYLCP-UHFFFAOYSA-N 1 1 298.430 2.817 20 30 CFEDMO CCc1ccc(C#CC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000855162981 635473903 /nfs/dbraw/zinc/47/39/03/635473903.db2.gz QLYAMOKKUYRSQU-QGZVFWFLSA-N 1 1 298.430 2.590 20 30 CFEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@H](C)CC1=O ZINC000113242890 635510280 /nfs/dbraw/zinc/51/02/80/635510280.db2.gz PRFHYMOIIGTWQC-CQSZACIVSA-N 1 1 285.391 2.595 20 30 CFEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C[C@H](C)CC1=O ZINC000113242890 635510289 /nfs/dbraw/zinc/51/02/89/635510289.db2.gz PRFHYMOIIGTWQC-CQSZACIVSA-N 1 1 285.391 2.595 20 30 CFEDMO CCCCCCCC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1 ZINC000855362360 635518762 /nfs/dbraw/zinc/51/87/62/635518762.db2.gz MQGRIVNNCSJMSK-CQSZACIVSA-N 1 1 254.418 2.900 20 30 CFEDMO C#CCCOc1ccc(CNC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000113313862 635532095 /nfs/dbraw/zinc/53/20/95/635532095.db2.gz IVFCNXUEKNBGTM-KRWDZBQOSA-N 1 1 286.419 2.663 20 30 CFEDMO C#CCCOc1ccc(CNC[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000113313862 635532098 /nfs/dbraw/zinc/53/20/98/635532098.db2.gz IVFCNXUEKNBGTM-KRWDZBQOSA-N 1 1 286.419 2.663 20 30 CFEDMO C#CCOc1ccc(CN[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000113320647 635551978 /nfs/dbraw/zinc/55/19/78/635551978.db2.gz IQPJGUQMKBOCPR-INIZCTEOSA-N 1 1 286.419 2.663 20 30 CFEDMO C#CCCCCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000855809463 635659041 /nfs/dbraw/zinc/65/90/41/635659041.db2.gz FWBSTJBBMQGUPB-OAHLLOKOSA-N 1 1 276.424 2.703 20 30 CFEDMO CC(C)(C)C#CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000855811393 635659132 /nfs/dbraw/zinc/65/91/32/635659132.db2.gz MUAINEGACSPJKY-CQSZACIVSA-N 1 1 276.424 2.559 20 30 CFEDMO Cc1cccc(-c2noc(CO[NH+]=C(N)CC(C)C)n2)c1 ZINC000114186063 635799271 /nfs/dbraw/zinc/79/92/71/635799271.db2.gz GVNJODAOAVTONB-UHFFFAOYSA-N 1 1 288.351 2.880 20 30 CFEDMO C#CC[C@@H]([NH2+]Cc1cn(C)nc1Cl)c1ccccc1 ZINC000856775749 635856903 /nfs/dbraw/zinc/85/69/03/635856903.db2.gz SNVBONBVRWGSAC-CQSZACIVSA-N 1 1 273.767 2.928 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1ccnn1CCc1ccccc1 ZINC000857039504 635914727 /nfs/dbraw/zinc/91/47/27/635914727.db2.gz FOUUNUUOTRMLMW-HNNXBMFYSA-N 1 1 267.376 2.579 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1ccnn1CCc1ccccc1 ZINC000857039504 635914730 /nfs/dbraw/zinc/91/47/30/635914730.db2.gz FOUUNUUOTRMLMW-HNNXBMFYSA-N 1 1 267.376 2.579 20 30 CFEDMO C#C[C@@H](C)N(C)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857195481 635944096 /nfs/dbraw/zinc/94/40/96/635944096.db2.gz WRNNLWAJESSFFB-RHSMWYFYSA-N 1 1 284.403 2.590 20 30 CFEDMO CC(C)[N@@H+]1CC(N=Nc2nc3cccnc3s2)[C@H](C)C1 ZINC000857218810 635948970 /nfs/dbraw/zinc/94/89/70/635948970.db2.gz QZOUUTLUJCWWDY-SNVBAGLBSA-N 1 1 289.408 2.819 20 30 CFEDMO N#CCc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000857873570 636044507 /nfs/dbraw/zinc/04/45/07/636044507.db2.gz ZPTNFXRMHQJSDH-HNNXBMFYSA-N 1 1 266.348 2.643 20 30 CFEDMO CCCCCCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000858109803 636128807 /nfs/dbraw/zinc/12/88/07/636128807.db2.gz AJBZGTFLUSPIGL-HUUCEWRRSA-N 1 1 281.444 2.883 20 30 CFEDMO CCCCCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000858111243 636129443 /nfs/dbraw/zinc/12/94/43/636129443.db2.gz YESCRJPTNOQBMQ-ZIAGYGMSSA-N 1 1 269.433 2.739 20 30 CFEDMO C#Cc1cccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000858174628 636148333 /nfs/dbraw/zinc/14/83/33/636148333.db2.gz VHDIDRFMEQRBFN-MRXNPFEDSA-N 1 1 256.393 2.630 20 30 CFEDMO C#CC[C@@H](COC)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000858335067 636195875 /nfs/dbraw/zinc/19/58/75/636195875.db2.gz LQKJTCZLXFQZTD-AWEZNQCLSA-N 1 1 286.400 2.938 20 30 CFEDMO C#CCCCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000858427278 636235648 /nfs/dbraw/zinc/23/56/48/636235648.db2.gz BHZMBYCXBXJPLV-UHFFFAOYSA-N 1 1 278.359 2.822 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@@](O)(c3ccccc3)C2)C1 ZINC000859587898 636611203 /nfs/dbraw/zinc/61/12/03/636611203.db2.gz BZKFODJSQOOLDH-OIISXLGYSA-N 1 1 270.376 2.662 20 30 CFEDMO COc1ccc([C@@H]2CC[N@@H+](CCO[C@H](C)C#N)C2)cc1F ZINC000860104233 636788745 /nfs/dbraw/zinc/78/87/45/636788745.db2.gz KTVWZIXPWMVWFG-TZMCWYRMSA-N 1 1 292.354 2.552 20 30 CFEDMO N#Cc1ccc(CO[NH+]=C(N)C2CCCCC2)cc1 ZINC000049066113 650287220 /nfs/dbraw/zinc/28/72/20/650287220.db2.gz XJYLFTSJCZKSRC-UHFFFAOYSA-N 1 1 257.337 2.927 20 30 CFEDMO CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000862243939 637297342 /nfs/dbraw/zinc/29/73/42/637297342.db2.gz TXQIQLCYTUSRKE-INMHGKMJSA-N 1 1 275.440 2.875 20 30 CFEDMO CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCN(C2CC2)[C@@H](C#N)C1 ZINC000862243939 637297348 /nfs/dbraw/zinc/29/73/48/637297348.db2.gz TXQIQLCYTUSRKE-INMHGKMJSA-N 1 1 275.440 2.875 20 30 CFEDMO CCCCCCCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000862355232 637329186 /nfs/dbraw/zinc/32/91/86/637329186.db2.gz HCYJXSISGAGETM-CQSZACIVSA-N 1 1 277.412 2.841 20 30 CFEDMO C#Cc1cccc(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000862391975 637352371 /nfs/dbraw/zinc/35/23/71/637352371.db2.gz YGWBWTMPSFDCOG-UHFFFAOYSA-N 1 1 252.317 2.823 20 30 CFEDMO C#CCC[N@@H+](CCOC)Cc1cc(F)c(N(C)C)cc1F ZINC000862418618 637370978 /nfs/dbraw/zinc/37/09/78/637370978.db2.gz QBFACQKLNSNXGM-UHFFFAOYSA-N 1 1 296.361 2.503 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1cc(F)c(N(C)C)cc1F ZINC000862418618 637370983 /nfs/dbraw/zinc/37/09/83/637370983.db2.gz QBFACQKLNSNXGM-UHFFFAOYSA-N 1 1 296.361 2.503 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2ncc(C3OCCO3)s2)C1 ZINC000862440008 637378310 /nfs/dbraw/zinc/37/83/10/637378310.db2.gz DEACATKEPLVGEQ-NSHDSACASA-N 1 1 280.393 2.587 20 30 CFEDMO C=CC[C@H]1CC[N@@H+](Cc2ncc(C3OCCO3)s2)C1 ZINC000862440008 637378313 /nfs/dbraw/zinc/37/83/13/637378313.db2.gz DEACATKEPLVGEQ-NSHDSACASA-N 1 1 280.393 2.587 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](CC(C)(C)CC(=O)OCC)C1 ZINC000862441776 637379871 /nfs/dbraw/zinc/37/98/71/637379871.db2.gz VZUJFRHNFWTUJC-CYBMUJFWSA-N 1 1 253.386 2.864 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(OCCOC)c2)C1 ZINC000862443086 637382105 /nfs/dbraw/zinc/38/21/05/637382105.db2.gz KVZUNNURMIFIAS-HNNXBMFYSA-N 1 1 273.376 2.557 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000862442324 637382191 /nfs/dbraw/zinc/38/21/91/637382191.db2.gz BSZVFVNQMWBCHX-CYBMUJFWSA-N 1 1 289.375 2.558 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000862444758 637385839 /nfs/dbraw/zinc/38/58/39/637385839.db2.gz GSNFEZFNRHQDFR-LBPRGKRZSA-N 1 1 273.767 2.833 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000862444764 637385945 /nfs/dbraw/zinc/38/59/45/637385945.db2.gz GTOHKHIPQUWOEU-ZIAGYGMSSA-N 1 1 285.387 2.864 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000862447052 637386956 /nfs/dbraw/zinc/38/69/56/637386956.db2.gz HNSMAZGITNAZAM-HNNXBMFYSA-N 1 1 295.386 2.726 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2c(C)nn(CCC)c2C)C1 ZINC000862445414 637387750 /nfs/dbraw/zinc/38/77/50/637387750.db2.gz SPTWQFGPAMTOBC-HNNXBMFYSA-N 1 1 259.397 2.755 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(C)c(Br)cn2)C1 ZINC000862447558 637388146 /nfs/dbraw/zinc/38/81/46/637388146.db2.gz OAUXUCWGFRWSPY-LBPRGKRZSA-N 1 1 293.208 2.998 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000862448078 637389704 /nfs/dbraw/zinc/38/97/04/637389704.db2.gz WOEAZJXGKCNLNM-OAHLLOKOSA-N 1 1 256.393 2.906 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@](O)(c3ccccc3)C2)o1 ZINC000862483409 637398776 /nfs/dbraw/zinc/39/87/76/637398776.db2.gz SWLHOCCAVTVPJB-QGZVFWFLSA-N 1 1 282.343 2.635 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC000862529629 637409300 /nfs/dbraw/zinc/40/93/00/637409300.db2.gz WTDWCYLKPLPGKL-PKOBYXMFSA-N 1 1 299.414 2.683 20 30 CFEDMO C#CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000862563080 637430280 /nfs/dbraw/zinc/43/02/80/637430280.db2.gz IMOCIIHXGLFDSI-FUHWJXTLSA-N 1 1 296.414 2.523 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC)CCc1ccccc1 ZINC000862687129 637464164 /nfs/dbraw/zinc/46/41/64/637464164.db2.gz CRIKPFUZWQUKHF-ROUUACIJSA-N 1 1 298.430 2.612 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC)CCc1ccccc1 ZINC000862687129 637464171 /nfs/dbraw/zinc/46/41/71/637464171.db2.gz CRIKPFUZWQUKHF-ROUUACIJSA-N 1 1 298.430 2.612 20 30 CFEDMO C[N@H+]1CCC(N=Nc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000863064397 637547576 /nfs/dbraw/zinc/54/75/76/637547576.db2.gz IRQJLGGTUSXHOM-UHFFFAOYSA-N 1 1 276.340 2.867 20 30 CFEDMO CC[C@@H]1CC(=O)N(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)C1 ZINC000119252090 637550705 /nfs/dbraw/zinc/55/07/05/637550705.db2.gz LQMOQLYKIUWXCZ-OAHLLOKOSA-N 1 1 299.418 2.985 20 30 CFEDMO CC[C@@H]1CC(=O)N(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)C1 ZINC000119252090 637550712 /nfs/dbraw/zinc/55/07/12/637550712.db2.gz LQMOQLYKIUWXCZ-OAHLLOKOSA-N 1 1 299.418 2.985 20 30 CFEDMO CCCCN[NH+]=Cc1ccc(F)c(F)c1N(C)C ZINC000863080109 637551824 /nfs/dbraw/zinc/55/18/24/637551824.db2.gz NPGGAAZOGCWDPT-UHFFFAOYSA-N 1 1 255.312 2.754 20 30 CFEDMO Cc1nc(Cl)cc(N=NC2CC[N@H+](C)C(C)(C)C2)n1 ZINC000863095066 637553409 /nfs/dbraw/zinc/55/34/09/637553409.db2.gz FIMNYRZXLCPFSG-UHFFFAOYSA-N 1 1 281.791 2.711 20 30 CFEDMO C[N@H+]1CCC(=NNCc2ccc(C#N)cc2)CC1(C)C ZINC000863103287 637554499 /nfs/dbraw/zinc/55/44/99/637554499.db2.gz SQXJVNRHZJKRHN-UHFFFAOYSA-N 1 1 270.380 2.508 20 30 CFEDMO CC[C@@H](C)N[NH+]=Cc1cc(F)c(N(C)C)cc1F ZINC000863107156 637556838 /nfs/dbraw/zinc/55/68/38/637556838.db2.gz GAUFXSXVPDPCHL-SECBINFHSA-N 1 1 255.312 2.753 20 30 CFEDMO CN(C)c1cc(F)c(C=[NH+]NC[C@@H]2CCSC2)cc1F ZINC000863111648 637559666 /nfs/dbraw/zinc/55/96/66/637559666.db2.gz FIFCOSBILGLLBU-JTQLQIEISA-N 1 1 299.390 2.707 20 30 CFEDMO S=c1[nH]c2ccccc2nc1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000863129463 637566835 /nfs/dbraw/zinc/56/68/35/637566835.db2.gz VIHTUNGECFESBY-CYBMUJFWSA-N 1 1 299.403 2.928 20 30 CFEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1nc2ccccc2[nH]c1=S ZINC000863128672 637567119 /nfs/dbraw/zinc/56/71/19/637567119.db2.gz OOXSNOMWEFFVSK-SECBINFHSA-N 1 1 287.392 2.642 20 30 CFEDMO C/C=C\C[C@@H]1CCC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000863340634 637631762 /nfs/dbraw/zinc/63/17/62/637631762.db2.gz MGYLUKCNSTTXOC-ABCZVMIZSA-N 1 1 285.391 2.664 20 30 CFEDMO C/C=C\C[C@@H]1CCC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000863340634 637631768 /nfs/dbraw/zinc/63/17/68/637631768.db2.gz MGYLUKCNSTTXOC-ABCZVMIZSA-N 1 1 285.391 2.664 20 30 CFEDMO C=CCCCCC[C@H](C)[NH2+]CC1(N)CCOCC1 ZINC000863542090 637690090 /nfs/dbraw/zinc/69/00/90/637690090.db2.gz RRHDRCBFBYAGNK-AWEZNQCLSA-N 1 1 254.418 2.609 20 30 CFEDMO COc1cccc(O)c1/C=N\C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000864346609 637947186 /nfs/dbraw/zinc/94/71/86/637947186.db2.gz XUNFVTMFZMUUSI-HIXWQLQUSA-N 1 1 288.391 2.837 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)CC2(C)CCCCC2)CC1 ZINC000120092335 638014225 /nfs/dbraw/zinc/01/42/25/638014225.db2.gz YBXVZIFNRZTNJF-UHFFFAOYSA-N 1 1 276.424 2.514 20 30 CFEDMO CCc1[nH+]c(C)cn1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000865394316 638306022 /nfs/dbraw/zinc/30/60/22/638306022.db2.gz CBWDTPMNCQVSKZ-UHFFFAOYSA-N 1 1 270.292 2.582 20 30 CFEDMO C=CCOCC[NH2+]Cc1c(Cl)cncc1Cl ZINC000865524669 638395306 /nfs/dbraw/zinc/39/53/06/638395306.db2.gz MFHIYGVHYRZHJQ-UHFFFAOYSA-N 1 1 261.152 2.681 20 30 CFEDMO NC(=[NH+]OCc1nnc(-c2ccccc2)o1)C1CCCC1 ZINC000077375729 650419772 /nfs/dbraw/zinc/41/97/72/650419772.db2.gz HNHQCRJJNMHAPZ-UHFFFAOYSA-N 1 1 286.335 2.716 20 30 CFEDMO CCC(CC)C[N@@H+](CCC#N)CC[C@H]1CCOC1=O ZINC000120731401 638569679 /nfs/dbraw/zinc/56/96/79/638569679.db2.gz UIDKKYICPVCJIJ-AWEZNQCLSA-N 1 1 266.385 2.591 20 30 CFEDMO CC[N@H+]1CCN(c2cc(C(F)(F)F)cc(C#N)n2)[C@@H](C)C1 ZINC000865797944 638578564 /nfs/dbraw/zinc/57/85/64/638578564.db2.gz PRMCVCBTGOOZJF-JTQLQIEISA-N 1 1 298.312 2.502 20 30 CFEDMO CC(C)[N@@H+](C)C[C@H](C)Nc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865815822 638590000 /nfs/dbraw/zinc/59/00/00/638590000.db2.gz NNJKDFXGTPRBFP-JTQLQIEISA-N 1 1 294.330 2.746 20 30 CFEDMO N#Cc1ccc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)nn1 ZINC000866191966 638766424 /nfs/dbraw/zinc/76/64/24/638766424.db2.gz BNHIJUUAVYEQND-HNNXBMFYSA-N 1 1 285.395 2.557 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ccc(C#N)cn1 ZINC000866194080 638767276 /nfs/dbraw/zinc/76/72/76/638767276.db2.gz GPIIXSPBVYBARZ-HNNXBMFYSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ccc(C#N)cn1 ZINC000866194080 638767277 /nfs/dbraw/zinc/76/72/77/638767277.db2.gz GPIIXSPBVYBARZ-HNNXBMFYSA-N 1 1 264.332 2.552 20 30 CFEDMO Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(C#N)c1[O-] ZINC000866238371 638777392 /nfs/dbraw/zinc/77/73/92/638777392.db2.gz MJUYZVBPSMLAAW-LBPRGKRZSA-N 1 1 284.363 2.510 20 30 CFEDMO C[C@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cccc(C#N)c1O ZINC000866280830 638788316 /nfs/dbraw/zinc/78/83/16/638788316.db2.gz CZVBHVBRGHMXMJ-GOPGUHFVSA-N 1 1 294.354 2.573 20 30 CFEDMO Cc1ccncc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866367366 638806022 /nfs/dbraw/zinc/80/60/22/638806022.db2.gz IZCZKEJWGFKVOC-GFCCVEGCSA-N 1 1 267.332 2.818 20 30 CFEDMO Cc1ccc(C[N@@H+]2CCOc3cc(N)ccc3C2)cc1C#N ZINC000866686297 638865611 /nfs/dbraw/zinc/86/56/11/638865611.db2.gz FMUWHJVZKPTBRW-UHFFFAOYSA-N 1 1 293.370 2.844 20 30 CFEDMO Cc1ccc(C[N@H+]2CCOc3cc(N)ccc3C2)cc1C#N ZINC000866686297 638865613 /nfs/dbraw/zinc/86/56/13/638865613.db2.gz FMUWHJVZKPTBRW-UHFFFAOYSA-N 1 1 293.370 2.844 20 30 CFEDMO N#CCCCC[N@H+]1CCOC[C@H]1C[C@@H](O)c1cccs1 ZINC000121867165 638900608 /nfs/dbraw/zinc/90/06/08/638900608.db2.gz 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COc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C#N ZINC000124997179 642379281 /nfs/dbraw/zinc/37/92/81/642379281.db2.gz XWZICCXKDABLOW-UHFFFAOYSA-N 1 1 297.314 2.765 20 30 CFEDMO C#CCC1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)CCCCC1 ZINC000874830787 642513339 /nfs/dbraw/zinc/51/33/39/642513339.db2.gz UENBOGJHJWBDLU-HOTGVXAUSA-N 1 1 288.435 2.655 20 30 CFEDMO C=C[C@H](C)ONC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000875699910 642670418 /nfs/dbraw/zinc/67/04/18/642670418.db2.gz BVDKBPSMSSVLKC-ZFWWWQNUSA-N 1 1 295.427 2.589 20 30 CFEDMO NC(=[NH+]OCc1ccc(F)cc1F)C1CCCC1 ZINC000084914978 650785621 /nfs/dbraw/zinc/78/56/21/650785621.db2.gz VMTSPTOKVRNAND-UHFFFAOYSA-N 1 1 254.280 2.944 20 30 CFEDMO C#CCCCCCC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000876556277 642920381 /nfs/dbraw/zinc/92/03/81/642920381.db2.gz KSCBBIPNKUSFKE-UHFFFAOYSA-N 1 1 276.346 2.750 20 30 CFEDMO C#CCCCCCC[N@H+]1CCCN(C[C@H]2CCCO2)CC1 ZINC000876568379 642927590 /nfs/dbraw/zinc/92/75/90/642927590.db2.gz LNWHLAJBWHIMCX-GOSISDBHSA-N 1 1 292.467 2.757 20 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C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN(C(=O)CCCF)C1 ZINC001120411618 778879684 /nfs/dbraw/zinc/87/96/84/778879684.db2.gz AYSRRVXLKQTZJV-LSDHHAIUSA-N 1 1 282.403 2.625 20 30 CFEDMO CCCCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H](C)C#N ZINC001098983711 778881745 /nfs/dbraw/zinc/88/17/45/778881745.db2.gz SQZUYMCOJYXTNT-GJZGRUSLSA-N 1 1 293.455 2.943 20 30 CFEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C1CC1 ZINC001099007354 778899945 /nfs/dbraw/zinc/89/99/45/778899945.db2.gz CAMKQUDFYCSUKX-GOEBONIOSA-N 1 1 290.451 2.663 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(OCC)c(C)c2)C1 ZINC001232307495 778921992 /nfs/dbraw/zinc/92/19/92/778921992.db2.gz ZRFJRURFQNLWOZ-AWEZNQCLSA-N 1 1 258.365 2.634 20 30 CFEDMO C=C(C)CCC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC001120665121 778950012 /nfs/dbraw/zinc/95/00/12/778950012.db2.gz OSMLPWZPPWWARS-HNNXBMFYSA-N 1 1 286.419 2.906 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccccc2F)[C@H]1C ZINC001088929155 778950831 /nfs/dbraw/zinc/95/08/31/778950831.db2.gz LRLHVNZHWYEGMB-IOASZLSFSA-N 1 1 290.382 2.694 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)C1 ZINC001030658829 778958727 /nfs/dbraw/zinc/95/87/27/778958727.db2.gz PQVOIHWIFOKMEQ-MSOLQXFVSA-N 1 1 298.430 2.947 20 30 CFEDMO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC001120698006 778960695 /nfs/dbraw/zinc/96/06/95/778960695.db2.gz CUCZWXISCVLMBH-ZIAGYGMSSA-N 1 1 252.402 2.674 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1C ZINC001088970677 778963461 /nfs/dbraw/zinc/96/34/61/778963461.db2.gz KLEHLHZYTKHSHT-NFAWXSAZSA-N 1 1 264.413 2.578 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc(CC)c(CC)o2)[C@H]1C ZINC001088984216 778967013 /nfs/dbraw/zinc/96/70/13/778967013.db2.gz NRFDVJVYIZHCNF-OCCSQVGLSA-N 1 1 290.407 2.783 20 30 CFEDMO C#CC[N@@H+](C)Cc1cc(F)c(F)c(Br)c1 ZINC001236860099 778967933 /nfs/dbraw/zinc/96/79/33/778967933.db2.gz OGMDAWQXRQTYHR-UHFFFAOYSA-N 1 1 274.108 2.792 20 30 CFEDMO C#CC[N@H+](C)Cc1cc(F)c(F)c(Br)c1 ZINC001236860099 778967943 /nfs/dbraw/zinc/96/79/43/778967943.db2.gz OGMDAWQXRQTYHR-UHFFFAOYSA-N 1 1 274.108 2.792 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ncccc2Cl)[C@H]1C ZINC001088993087 778968511 /nfs/dbraw/zinc/96/85/11/778968511.db2.gz ORSLTXRMYONVMD-YPMHNXCESA-N 1 1 293.798 2.504 20 30 CFEDMO CCCC[N@H+](CCC#N)Cc1cccc(-n2cncn2)c1 ZINC001236883100 778972178 /nfs/dbraw/zinc/97/21/78/778972178.db2.gz AQRWBKVXYSNMRO-UHFFFAOYSA-N 1 1 283.379 2.783 20 30 CFEDMO CCCC[N@@H+](CCC#N)Cc1cccc(-n2cncn2)c1 ZINC001236883100 778972180 /nfs/dbraw/zinc/97/21/80/778972180.db2.gz AQRWBKVXYSNMRO-UHFFFAOYSA-N 1 1 283.379 2.783 20 30 CFEDMO C[C@@H]1[C@@H](NC(=O)C(C)(C)C)CC[N@@H+]1Cc1ccccc1C#N ZINC001088997249 778972336 /nfs/dbraw/zinc/97/23/36/778972336.db2.gz INTQFNPOVRQLJK-CJNGLKHVSA-N 1 1 299.418 2.683 20 30 CFEDMO C[C@@H]1[C@@H](NC(=O)C(C)(C)C)CC[N@H+]1Cc1ccccc1C#N ZINC001088997249 778972339 /nfs/dbraw/zinc/97/23/39/778972339.db2.gz INTQFNPOVRQLJK-CJNGLKHVSA-N 1 1 299.418 2.683 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2F)[C@H]1C ZINC001089017248 778974271 /nfs/dbraw/zinc/97/42/71/778974271.db2.gz VDLRJJLEOUWQGP-CJNGLKHVSA-N 1 1 290.382 2.523 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)CCCC3)[C@H]1C ZINC001089021285 778975337 /nfs/dbraw/zinc/97/53/37/778975337.db2.gz FNCVXDWOFTVDCI-KDOFPFPSSA-N 1 1 298.430 2.944 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2CCC=CCC2)[C@H]1C ZINC001089045606 778981088 /nfs/dbraw/zinc/98/10/88/778981088.db2.gz ZAVYYXWKKABMPX-ZBFHGGJFSA-N 1 1 276.424 2.888 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CC2CCC(C)(C)CC2)[C@H]1C ZINC001089087127 778993191 /nfs/dbraw/zinc/99/31/91/778993191.db2.gz RVUGQMQDTSEGPK-ZBFHGGJFSA-N 1 1 290.451 2.805 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)C1 ZINC001030724260 779000572 /nfs/dbraw/zinc/00/05/72/779000572.db2.gz YODRQCANTUZVGR-CWRNSKLLSA-N 1 1 276.424 2.579 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)[C@@H]2CCCC[C@H]2C2CC2)C1 ZINC001030736505 779004637 /nfs/dbraw/zinc/00/46/37/779004637.db2.gz WHVXCNYSXVZDBS-JKSUJKDBSA-N 1 1 276.424 2.579 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)Cc2ccc(C3CCC3)cc2)C1 ZINC001030754401 779010594 /nfs/dbraw/zinc/01/05/94/779010594.db2.gz WLTBDDABOHHQFE-UHFFFAOYSA-N 1 1 298.430 2.873 20 30 CFEDMO C#CC[NH+](CC#C)Cc1cccc(OC(C)(C)C)c1 ZINC001237104401 779011637 /nfs/dbraw/zinc/01/16/37/779011637.db2.gz HIGPUIUFZYCQEK-UHFFFAOYSA-N 1 1 255.361 2.932 20 30 CFEDMO CCCCCCC[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@H](C1)O2 ZINC001272293374 779019006 /nfs/dbraw/zinc/01/90/06/779019006.db2.gz BBGMIPCQYQDRLN-OAGGEKHMSA-N 1 1 296.455 2.524 20 30 CFEDMO CCCCCCC[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@H](C1)O2 ZINC001272293374 779019013 /nfs/dbraw/zinc/01/90/13/779019013.db2.gz BBGMIPCQYQDRLN-OAGGEKHMSA-N 1 1 296.455 2.524 20 30 CFEDMO N#C[C@@H]1CCC[N@@H+](Cc2sc(=O)[nH]c2Cl)CC1 ZINC001237164319 779034488 /nfs/dbraw/zinc/03/44/88/779034488.db2.gz IBHWADYGJNPWDM-MRVPVSSYSA-N 1 1 271.773 2.628 20 30 CFEDMO N#C[C@@H]1CCC[N@H+](Cc2sc(=O)[nH]c2Cl)CC1 ZINC001237164319 779034495 /nfs/dbraw/zinc/03/44/95/779034495.db2.gz IBHWADYGJNPWDM-MRVPVSSYSA-N 1 1 271.773 2.628 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCNC3=CCCC[C@@H]32)cc1 ZINC001237226528 779055248 /nfs/dbraw/zinc/05/52/48/779055248.db2.gz XNUFDPGGTKWAMP-SFHVURJKSA-N 1 1 282.387 2.540 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCNC3=CCCC[C@@H]32)cc1 ZINC001237226528 779055251 /nfs/dbraw/zinc/05/52/51/779055251.db2.gz XNUFDPGGTKWAMP-SFHVURJKSA-N 1 1 282.387 2.540 20 30 CFEDMO C[N@H+]1CC[C@H](Oc2cc(C#N)cc(C(F)(F)F)c2)C1 ZINC001233658632 779065725 /nfs/dbraw/zinc/06/57/25/779065725.db2.gz OOLAQGRUBVFKQE-NSHDSACASA-N 1 1 270.254 2.660 20 30 CFEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C)c2)C1 ZINC001046116166 779071932 /nfs/dbraw/zinc/07/19/32/779071932.db2.gz RCKLOBVWBVVNOW-KRWDZBQOSA-N 1 1 272.392 2.765 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)SC ZINC001233732384 779077701 /nfs/dbraw/zinc/07/77/01/779077701.db2.gz QRESQYFWVFZSNS-UONOGXRCSA-N 1 1 284.469 2.627 20 30 CFEDMO C=CCN1CC[C@]2(CCC[N@H+](CC(C)C)CC2)C1=O ZINC001272411122 779080415 /nfs/dbraw/zinc/08/04/15/779080415.db2.gz NJYADCOHTBKZBV-MRXNPFEDSA-N 1 1 264.413 2.533 20 30 CFEDMO C=CCCC(=O)N[C@@H](C)C[C@@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC001089251476 779082199 /nfs/dbraw/zinc/08/21/99/779082199.db2.gz WAEXANHNJSNXCS-NEPJUHHUSA-N 1 1 290.411 2.755 20 30 CFEDMO C=C(C)CN1CC[C@@]2(CC[N@H+](CC(CC)CC)C2)C1=O ZINC001272423483 779092699 /nfs/dbraw/zinc/09/26/99/779092699.db2.gz GWAHNGRXSOSNJP-QGZVFWFLSA-N 1 1 278.440 2.923 20 30 CFEDMO C#CCN1CC[C@]2(CC[N@H+](C[C@H](CC)CCCC)C2)C1=O ZINC001272428495 779093413 /nfs/dbraw/zinc/09/34/13/779093413.db2.gz GCXMJAPTVFBXPW-AEFFLSMTSA-N 1 1 290.451 2.760 20 30 CFEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CCC(C)C)C1=O ZINC001272453820 779104882 /nfs/dbraw/zinc/10/48/82/779104882.db2.gz PCFXUEPDEAPLOW-INIZCTEOSA-N 1 1 264.413 2.676 20 30 CFEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CCCSC ZINC001272464770 779111288 /nfs/dbraw/zinc/11/12/88/779111288.db2.gz XYMNXNVNUHIGGM-MRXNPFEDSA-N 1 1 296.480 2.773 20 30 CFEDMO C[C@H]1CC[C@H](CO)C[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237464202 779113815 /nfs/dbraw/zinc/11/38/15/779113815.db2.gz CVHCLZCZTSDMIS-ZFWWWQNUSA-N 1 1 297.402 2.643 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)CCC[C@@H]1O ZINC001237464095 779113875 /nfs/dbraw/zinc/11/38/75/779113875.db2.gz CCSAVJJIQSJJEA-UGSOOPFHSA-N 1 1 297.402 2.643 20 30 CFEDMO CC[N@@H+](CCOC)Cc1cn(C)c2ccc(C#N)cc12 ZINC001237463972 779114179 /nfs/dbraw/zinc/11/41/79/779114179.db2.gz CARMWQHPGYPCOM-UHFFFAOYSA-N 1 1 271.364 2.518 20 30 CFEDMO C[C@@H]1C[C@@H](F)C[N@H+]1Cc1cn(C)c2ccc(C#N)cc12 ZINC001237463532 779114353 /nfs/dbraw/zinc/11/43/53/779114353.db2.gz AVACPAQSCPUXNQ-BXUZGUMPSA-N 1 1 271.339 2.982 20 30 CFEDMO Cn1cc(C[N@@H+]2CCC[C@@H](F)C2)c2cc(C#N)ccc21 ZINC001237467680 779114621 /nfs/dbraw/zinc/11/46/21/779114621.db2.gz DYEXHPKFDCRXDC-CQSZACIVSA-N 1 1 271.339 2.984 20 30 CFEDMO Cn1cc(C[N@H+]2CCC[C@@H](F)C2)c2cc(C#N)ccc21 ZINC001237467680 779114625 /nfs/dbraw/zinc/11/46/25/779114625.db2.gz DYEXHPKFDCRXDC-CQSZACIVSA-N 1 1 271.339 2.984 20 30 CFEDMO Cn1cc(C[N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c2cc(C#N)ccc21 ZINC001237469389 779115065 /nfs/dbraw/zinc/11/50/65/779115065.db2.gz UTUBVTUNAODIDH-NOLJZWGESA-N 1 1 283.350 2.840 20 30 CFEDMO CCCCC[N@H+]1CCC[C@]12CCN(CCCC#N)C2=O ZINC001272470843 779116803 /nfs/dbraw/zinc/11/68/03/779116803.db2.gz LXAFCKOEGQRDJU-MRXNPFEDSA-N 1 1 277.412 2.547 20 30 CFEDMO C#CC[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)C1CCCC1 ZINC000176385373 779119588 /nfs/dbraw/zinc/11/95/88/779119588.db2.gz HYXZFSKKCXMWTK-UHFFFAOYSA-N 1 1 292.329 2.781 20 30 CFEDMO C#CC[N@H+](CC(=O)Nc1cc(F)cc(F)c1)C1CCCC1 ZINC000176385373 779119589 /nfs/dbraw/zinc/11/95/89/779119589.db2.gz HYXZFSKKCXMWTK-UHFFFAOYSA-N 1 1 292.329 2.781 20 30 CFEDMO COc1c(C)cccc1C[N@@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001237504219 779122252 /nfs/dbraw/zinc/12/22/52/779122252.db2.gz VPXDYRCLOJCYFU-CQSZACIVSA-N 1 1 289.400 2.778 20 30 CFEDMO COc1c(C)cccc1C[N@H+]1CC[C@H]2SC(=O)C=C2C1 ZINC001237504219 779122254 /nfs/dbraw/zinc/12/22/54/779122254.db2.gz VPXDYRCLOJCYFU-CQSZACIVSA-N 1 1 289.400 2.778 20 30 CFEDMO C=CCN1CC[C@]2(CCC[N@@H+]2CCCCCC)C1=O ZINC001272478061 779123203 /nfs/dbraw/zinc/12/32/03/779123203.db2.gz ZCKUVZKCGYHLJK-MRXNPFEDSA-N 1 1 264.413 2.820 20 30 CFEDMO C[C@]1(O)CCCC[N@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237525573 779127021 /nfs/dbraw/zinc/12/70/21/779127021.db2.gz SJGHKSISYCQJSC-HNNXBMFYSA-N 1 1 280.318 2.573 20 30 CFEDMO C[C@]1(O)CCCC[N@@H+](Cc2cc(C#N)c(F)cc2F)C1 ZINC001237525573 779127024 /nfs/dbraw/zinc/12/70/24/779127024.db2.gz SJGHKSISYCQJSC-HNNXBMFYSA-N 1 1 280.318 2.573 20 30 CFEDMO C[C@H]1C[C@H]2C[N@H+](Cc3cc(C#N)c(F)cc3F)CC[C@H]2O1 ZINC001237527494 779127167 /nfs/dbraw/zinc/12/71/67/779127167.db2.gz LFLZYEWMRHPMGR-YNZJMPHRSA-N 1 1 292.329 2.836 20 30 CFEDMO C[C@H]1C[C@H]2C[N@@H+](Cc3cc(C#N)c(F)cc3F)CC[C@H]2O1 ZINC001237527494 779127171 /nfs/dbraw/zinc/12/71/71/779127171.db2.gz LFLZYEWMRHPMGR-YNZJMPHRSA-N 1 1 292.329 2.836 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC(C)(C)C2)C1 ZINC001046292737 779134797 /nfs/dbraw/zinc/13/47/97/779134797.db2.gz XQPKIGWWMGGVRQ-MRXNPFEDSA-N 1 1 264.413 2.579 20 30 CFEDMO C#CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CCC(C)(C)C ZINC001272492837 779140773 /nfs/dbraw/zinc/14/07/73/779140773.db2.gz UVHQELLCSMSEQZ-QGZVFWFLSA-N 1 1 276.424 2.513 20 30 CFEDMO CC[C@@H]1CCC[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237607891 779141559 /nfs/dbraw/zinc/14/15/59/779141559.db2.gz AHXVXQVJUJVOMO-CQSZACIVSA-N 1 1 254.337 2.580 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(F)F)CC(C)(C)C1 ZINC001089298736 779145027 /nfs/dbraw/zinc/14/50/27/779145027.db2.gz MRSLHDHCJNNUGT-GFCCVEGCSA-N 1 1 288.382 2.825 20 30 CFEDMO C=Cc1ccc(C(=O)NC2C[NH+](CCC(=C)C)C2)cc1 ZINC001030994443 779163083 /nfs/dbraw/zinc/16/30/83/779163083.db2.gz FFJZNQFZNZBGRW-UHFFFAOYSA-N 1 1 270.376 2.710 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC2(F)F)C1 ZINC001046409688 779173402 /nfs/dbraw/zinc/17/34/02/779173402.db2.gz XVPJLPYEKGVTTE-TZMCWYRMSA-N 1 1 286.366 2.579 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccco2)CC(C)(C)C1 ZINC001089301941 779173553 /nfs/dbraw/zinc/17/35/53/779173553.db2.gz WDASQPUUSVUAEL-CYBMUJFWSA-N 1 1 276.380 2.686 20 30 CFEDMO CO[C@@H](C)C1C[NH+](Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237754425 779175476 /nfs/dbraw/zinc/17/54/76/779175476.db2.gz LCVCTWZSKCZZOK-JTQLQIEISA-N 1 1 264.756 2.678 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001031026050 779179104 /nfs/dbraw/zinc/17/91/04/779179104.db2.gz MMFBVLAUIBZLQE-OAHLLOKOSA-N 1 1 286.419 2.865 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001031051749 779200024 /nfs/dbraw/zinc/20/00/24/779200024.db2.gz PJTYQRFVBMAKGP-GUYCJALGSA-N 1 1 278.440 2.825 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H](C)c2ccccc2F)C1 ZINC001031119352 779230214 /nfs/dbraw/zinc/23/02/14/779230214.db2.gz MOISLNNIDZHCAP-CYBMUJFWSA-N 1 1 290.382 2.696 20 30 CFEDMO N#Cc1ccc(C[NH+]2CC3(C2)CCCOC3)c(Cl)c1 ZINC001238082556 779249742 /nfs/dbraw/zinc/24/97/42/779249742.db2.gz KCRDGSAYTJJZEQ-UHFFFAOYSA-N 1 1 276.767 2.824 20 30 CFEDMO COC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)c(C#N)c1 ZINC001238189628 779275087 /nfs/dbraw/zinc/27/50/87/779275087.db2.gz ULJWHVZHCONRTG-ZDUSSCGKSA-N 1 1 264.756 2.822 20 30 CFEDMO C=C(C)CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC001272594539 779287979 /nfs/dbraw/zinc/28/79/79/779287979.db2.gz ROXZOBXDPCFCNI-SFHVURJKSA-N 1 1 284.403 2.687 20 30 CFEDMO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)CCCC ZINC001281933354 779288553 /nfs/dbraw/zinc/28/85/53/779288553.db2.gz RJJQMNXKMOKNPH-HOTGVXAUSA-N 1 1 278.440 2.759 20 30 CFEDMO C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)CC ZINC001281933744 779289392 /nfs/dbraw/zinc/28/93/92/779289392.db2.gz UMGGJDMHMHQSQC-GJZGRUSLSA-N 1 1 266.429 2.922 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2cccc(C(C)C)c2)C1 ZINC001031200022 779299579 /nfs/dbraw/zinc/29/95/79/779299579.db2.gz PYYYLMUVLJFZTF-UHFFFAOYSA-N 1 1 272.392 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296.773 2.917 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cc(CC(C)C)c[nH]2)C1 ZINC001031268970 779379106 /nfs/dbraw/zinc/37/91/06/779379106.db2.gz ZJAPRGSUBDUDQK-UHFFFAOYSA-N 1 1 289.423 2.593 20 30 CFEDMO CCc1cc(C[N@H+]2CCCC[C@](O)(CF)C2)ccc1C#N ZINC001238765614 779383849 /nfs/dbraw/zinc/38/38/49/779383849.db2.gz GCDVFTGKFSISEW-KRWDZBQOSA-N 1 1 290.382 2.807 20 30 CFEDMO CCc1cc(C[N@@H+]2CCOCC23CCC3)ccc1C#N ZINC001238778993 779390879 /nfs/dbraw/zinc/39/08/79/779390879.db2.gz RYOYPAACTYKJKE-UHFFFAOYSA-N 1 1 270.376 2.876 20 30 CFEDMO CCc1cc(C[N@H+]2CCOCC23CCC3)ccc1C#N ZINC001238778993 779390886 /nfs/dbraw/zinc/39/08/86/779390886.db2.gz RYOYPAACTYKJKE-UHFFFAOYSA-N 1 1 270.376 2.876 20 30 CFEDMO CCc1cc(C[N@H+]2CCC[C@H](C(C)=O)C2)ccc1C#N ZINC001238777863 779391468 /nfs/dbraw/zinc/39/14/68/779391468.db2.gz JOSMOAWEMHTFAS-KRWDZBQOSA-N 1 1 270.376 2.922 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2cccc(Cl)c2Cl)C1 ZINC001031303409 779399136 /nfs/dbraw/zinc/39/91/36/779399136.db2.gz WNDCTASBLGCSCG-UHFFFAOYSA-N 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ZINC001031463971 779465159 /nfs/dbraw/zinc/46/51/59/779465159.db2.gz DFQQYNHMJUYIML-IBGZPJMESA-N 1 1 298.430 2.657 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)CC(C)(C)C1 ZINC001089441422 779471055 /nfs/dbraw/zinc/47/10/55/779471055.db2.gz ZIJGHHXNRFXLMT-IIDMSEBBSA-N 1 1 290.451 2.969 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCCC2)CC(C)(C)C1 ZINC001089455867 779481320 /nfs/dbraw/zinc/48/13/20/779481320.db2.gz AIUIPRAIMWBXFP-HNNXBMFYSA-N 1 1 290.451 2.807 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C)co2)CC(C)(C)C1 ZINC001089468540 779490470 /nfs/dbraw/zinc/49/04/70/779490470.db2.gz ZIRNRRFFJOMHET-CQSZACIVSA-N 1 1 290.407 2.994 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2CC3(CC3)C2)CC(C)(C)C1 ZINC001089485968 779494926 /nfs/dbraw/zinc/49/49/26/779494926.db2.gz RQQMZMCMQGTALE-OAHLLOKOSA-N 1 1 290.451 2.969 20 30 CFEDMO C=C[C@@H](C(=O)N(CC)[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001123923387 779503121 /nfs/dbraw/zinc/50/31/21/779503121.db2.gz BOPJSOJHKYAUNS-HZPDHXFCSA-N 1 1 272.392 2.509 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1ccccc1CNC(=O)c1cc[nH]c1 ZINC001272669692 779508696 /nfs/dbraw/zinc/50/86/96/779508696.db2.gz GEZONBAANVGLJN-UHFFFAOYSA-N 1 1 297.402 2.953 20 30 CFEDMO CCCCCCCCOC(=O)N[C@H]1C[NH2+]CC1(F)F ZINC001239325673 779515837 /nfs/dbraw/zinc/51/58/37/779515837.db2.gz ZMKKBCCCABCUTJ-NSHDSACASA-N 1 1 278.343 2.680 20 30 CFEDMO COc1[nH+]ccc(N)c1Nc1ccc(C2(C#N)CC2)cc1 ZINC001212249855 779522108 /nfs/dbraw/zinc/52/21/08/779522108.db2.gz QPGCTYUGKJKKFE-UHFFFAOYSA-N 1 1 280.331 2.971 20 30 CFEDMO C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(C)=O ZINC001089599256 779538604 /nfs/dbraw/zinc/53/86/04/779538604.db2.gz UMVCRYOOCKYPGT-CQSZACIVSA-N 1 1 252.402 2.579 20 30 CFEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccs1 ZINC001089603752 779541704 /nfs/dbraw/zinc/54/17/04/779541704.db2.gz VJEBVIKNWDMPLJ-ZDUSSCGKSA-N 1 1 290.432 2.602 20 30 CFEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cccs1 ZINC001089603752 779541714 /nfs/dbraw/zinc/54/17/14/779541714.db2.gz VJEBVIKNWDMPLJ-ZDUSSCGKSA-N 1 1 290.432 2.602 20 30 CFEDMO C#CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001089605954 779541967 /nfs/dbraw/zinc/54/19/67/779541967.db2.gz RSPALPMHQGXFAL-CVEARBPZSA-N 1 1 288.435 2.583 20 30 CFEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001089605956 779543069 /nfs/dbraw/zinc/54/30/69/779543069.db2.gz RSPALPMHQGXFAL-HZPDHXFCSA-N 1 1 288.435 2.583 20 30 CFEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001089702028 779573001 /nfs/dbraw/zinc/57/30/01/779573001.db2.gz SZCAHFQJKQLNGX-KGLIPLIRSA-N 1 1 276.424 2.579 20 30 CFEDMO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C=C(C)C ZINC001089762004 779586698 /nfs/dbraw/zinc/58/66/98/779586698.db2.gz CFYIFXSIFOZMPN-HZMVEIRTSA-N 1 1 288.435 2.698 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2CCC2)C1 ZINC001089750166 779586902 /nfs/dbraw/zinc/58/69/02/779586902.db2.gz HYRPKMHRZXRSAV-QAETUUGQSA-N 1 1 288.435 2.531 20 30 CFEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(CC)CC ZINC001089772979 779590159 /nfs/dbraw/zinc/59/01/59/779590159.db2.gz LQVDBXVTHGMXMD-HZMVEIRTSA-N 1 1 290.451 2.777 20 30 CFEDMO C=C(C)CC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)C ZINC001089775067 779590550 /nfs/dbraw/zinc/59/05/50/779590550.db2.gz DKJCMTREKOTCAR-YVSFHVDLSA-N 1 1 290.451 2.777 20 30 CFEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC1CC1 ZINC001089789371 779601011 /nfs/dbraw/zinc/60/10/11/779601011.db2.gz VWAGNYDCRPROAI-HZMVEIRTSA-N 1 1 288.435 2.531 20 30 CFEDMO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C2(C)CC2)C1 ZINC001089814307 779622663 /nfs/dbraw/zinc/62/26/63/779622663.db2.gz FEEYWRFPQJBLET-VGWMRTNUSA-N 1 1 288.435 2.531 20 30 CFEDMO COc1cc(C)c(C[N@H+]2CCC[C@H](C#N)CC2)c(O)c1 ZINC001236812013 779642072 /nfs/dbraw/zinc/64/20/72/779642072.db2.gz XVBRMOGMJHLIDY-ZDUSSCGKSA-N 1 1 274.364 2.835 20 30 CFEDMO C=CCCCCC[N@H+]1CCC[C@@]12CCN(CC=C)C2=O ZINC001272700533 779659353 /nfs/dbraw/zinc/65/93/53/779659353.db2.gz YRGFMICTNXARAF-KRWDZBQOSA-N 1 1 276.424 2.986 20 30 CFEDMO CC#CC[NH+]1CC(CNC(=O)c2ccccc2C2CCC2)C1 ZINC001032157983 779749507 /nfs/dbraw/zinc/74/95/07/779749507.db2.gz IRPFCOLFDOFEBU-UHFFFAOYSA-N 1 1 296.414 2.639 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)C(C)(C)F)CCC[C@@H]12 ZINC001107255912 779823504 /nfs/dbraw/zinc/82/35/04/779823504.db2.gz BHHIHTWMONGQQG-CZUORRHYSA-N 1 1 282.403 2.671 20 30 CFEDMO C=CCC[N@H+]1CC[C@@]2(CNC(=O)CC3CC3)CCC[C@@H]12 ZINC001107258438 779824234 /nfs/dbraw/zinc/82/42/34/779824234.db2.gz KDHAJUHHFKETRM-NVXWUHKLSA-N 1 1 276.424 2.723 20 30 CFEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)C(CC)CC)CCC[C@@H]12 ZINC001107294158 779831317 /nfs/dbraw/zinc/83/13/17/779831317.db2.gz RLMAYDNJABDGHP-SJLPKXTDSA-N 1 1 290.451 2.807 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](C)C3CC3)CCC[C@@H]12 ZINC001107353836 779836945 /nfs/dbraw/zinc/83/69/45/779836945.db2.gz KRLCWXVUIKGFIS-YXJHDRRASA-N 1 1 290.451 2.969 20 30 CFEDMO C#CCC[N@H+]1CC[C@@]2(CNC(=O)C(F)=C(C)C)CCC[C@@H]12 ZINC001107363539 779837116 /nfs/dbraw/zinc/83/71/16/779837116.db2.gz FYYOMBMRZVSMAI-RHSMWYFYSA-N 1 1 292.398 2.634 20 30 CFEDMO CC#CCCCC(=O)NC[C@]12CCC[C@H]1[N@@H+](CCC)CC2 ZINC001107511860 779851985 /nfs/dbraw/zinc/85/19/85/779851985.db2.gz WYRAJVBKNCOCPB-SJLPKXTDSA-N 1 1 290.451 2.951 20 30 CFEDMO C=CC(C)(C)C(=O)NC[C@]12CCC[C@H]1[N@@H+](CC)CC2 ZINC001107502206 779852354 /nfs/dbraw/zinc/85/23/54/779852354.db2.gz CAZHROCBDJHSKW-CZUORRHYSA-N 1 1 264.413 2.579 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(CNC(=O)[C@@H](F)CC)CCC[C@@H]12 ZINC001107506788 779853863 /nfs/dbraw/zinc/85/38/63/779853863.db2.gz NIBYMFBCWQTWIK-SQWLQELKSA-N 1 1 282.403 2.671 20 30 CFEDMO C=CC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)c2cc(C)cs2)C1 ZINC001098825441 779864872 /nfs/dbraw/zinc/86/48/72/779864872.db2.gz BLWBPCQLYZZHJK-BBRMVZONSA-N 1 1 290.432 2.827 20 30 CFEDMO C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc(F)cc3)C2)C1 ZINC001041015800 779880815 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CC[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(C#N)cc1 ZINC000562592734 290058170 /nfs/dbraw/zinc/05/81/70/290058170.db2.gz VEDVIWSWDLUWHD-XJKSGUPXSA-N 1 1 259.397 2.939 20 30 CFEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1Nc1nc(C#N)c(Cl)s1 ZINC000596160216 349812590 /nfs/dbraw/zinc/81/25/90/349812590.db2.gz BDIIMIDZUXXGPP-XCBNKYQSSA-N 1 1 282.800 2.563 20 30 CFEDMO C[N@H+]1CCC[C@H]2CN(c3nc(C#N)c(Cl)s3)CC[C@@H]21 ZINC000596168522 349815656 /nfs/dbraw/zinc/81/56/56/349815656.db2.gz OBTIJAXUDNDHGP-ONGXEEELSA-N 1 1 296.827 2.589 20 30 CFEDMO Cn1cc(CC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cn1 ZINC000072898137 346947833 /nfs/dbraw/zinc/94/78/33/346947833.db2.gz KPOZNOHRCIIZTJ-ZWKOTPCHSA-N 1 1 294.402 2.734 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@H](C)c1csc(C(C)C)n1 ZINC000295037859 199313985 /nfs/dbraw/zinc/31/39/85/199313985.db2.gz PFBHNTAMKHXFQM-CYBMUJFWSA-N 1 1 279.453 2.872 20 30 CFEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1 ZINC000127955265 187343792 /nfs/dbraw/zinc/34/37/92/187343792.db2.gz 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347007282 /nfs/dbraw/zinc/00/72/82/347007282.db2.gz DJVJENHRQCKIPS-HOTGVXAUSA-N 1 1 258.365 2.684 20 30 CFEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000074286984 347007492 /nfs/dbraw/zinc/00/74/92/347007492.db2.gz DJVJENHRQCKIPS-HZPDHXFCSA-N 1 1 258.365 2.684 20 30 CFEDMO CCCCC(N)=[NH+]OCC(=O)Nc1ccccc1CC ZINC000049066177 260203715 /nfs/dbraw/zinc/20/37/15/260203715.db2.gz WEZKQVXVDRCZOL-UHFFFAOYSA-N 1 1 277.368 2.667 20 30 CFEDMO CC(C)c1[nH+]ccn1CCC(=O)N(CC#N)C1CCCC1 ZINC000074680199 347026725 /nfs/dbraw/zinc/02/67/25/347026725.db2.gz FPHVCSYWCKPZKP-UHFFFAOYSA-N 1 1 288.395 2.691 20 30 CFEDMO Cc1cc(N[C@H]2CC[N@H+](C3CCCCC3)C2)c(C#N)cn1 ZINC000596480590 349915360 /nfs/dbraw/zinc/91/53/60/349915360.db2.gz SNEGIGQPLAYICQ-HNNXBMFYSA-N 1 1 284.407 2.503 20 30 CFEDMO C[N@@H+]1CC=C(CNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 ZINC000329969331 530047286 /nfs/dbraw/zinc/04/72/86/530047286.db2.gz ULWIASJFUSHIMN-UHFFFAOYSA-N 1 1 295.386 2.808 20 30 CFEDMO C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000352181201 530056517 /nfs/dbraw/zinc/05/65/17/530056517.db2.gz ZYFHNHWDBKMHIC-JKSUJKDBSA-N 1 1 285.391 2.632 20 30 CFEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C#N)CCCCC1 ZINC000408089207 260224298 /nfs/dbraw/zinc/22/42/98/260224298.db2.gz ISTQFGPZHQBECD-UONOGXRCSA-N 1 1 277.412 2.592 20 30 CFEDMO C#CCC[NH+]1CCN([C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000127292401 187294570 /nfs/dbraw/zinc/29/45/70/187294570.db2.gz FRMMAXONPWOIDR-CQSZACIVSA-N 1 1 289.423 2.674 20 30 CFEDMO CCCCC(N)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000063460146 260239657 /nfs/dbraw/zinc/23/96/57/260239657.db2.gz SWEFJURJJXCSPO-UHFFFAOYSA-N 1 1 251.286 2.574 20 30 CFEDMO C#Cc1cccc(N(C)CCCn2cc[nH+]c2C)c1 ZINC000127337910 187297681 /nfs/dbraw/zinc/29/76/81/187297681.db2.gz AFCSXOMICNNKSG-UHFFFAOYSA-N 1 1 253.349 2.699 20 30 CFEDMO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)Nc2sccc2C#N)C1 ZINC000007811997 232172104 /nfs/dbraw/zinc/17/21/04/232172104.db2.gz KRUCPNGHPGUYAP-GHMZBOCLSA-N 1 1 277.393 2.536 20 30 CFEDMO CCC[N@H+]1CC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C#N)C1 ZINC000596517277 349927903 /nfs/dbraw/zinc/92/79/03/349927903.db2.gz LEYVZBQQMYROEP-ZDUSSCGKSA-N 1 1 288.351 2.671 20 30 CFEDMO C#CCOc1ccc(C[N@H+](C)[C@H](CO)c2ccccc2)cc1 ZINC000295113579 199351398 /nfs/dbraw/zinc/35/13/98/199351398.db2.gz VJGGYZIAQBQXTM-LJQANCHMSA-N 1 1 295.382 2.864 20 30 CFEDMO C[C@H]1CCC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C1 ZINC000075616440 347087631 /nfs/dbraw/zinc/08/76/31/347087631.db2.gz JDAPWTURKHASFI-LBPRGKRZSA-N 1 1 282.347 2.840 20 30 CFEDMO C[C@H]([N@@H+](C)CC(=O)Nc1ccc(C#N)cc1)C1(C)CC1 ZINC000177245332 232355349 /nfs/dbraw/zinc/35/53/49/232355349.db2.gz TYRFYVPHVGLGMG-LBPRGKRZSA-N 1 1 271.364 2.617 20 30 CFEDMO Cc1cc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)ccc1C#N ZINC000335205421 539523037 /nfs/dbraw/zinc/52/30/37/539523037.db2.gz MSECJBIAOBEOON-KRWDZBQOSA-N 1 1 294.402 2.980 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000042247661 346362724 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/nfs/dbraw/zinc/13/39/88/349133988.db2.gz LFIUUTOMUZHPDX-SFHVURJKSA-N 1 1 296.370 2.699 20 30 CFEDMO CC(C)CC[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000592997616 349182888 /nfs/dbraw/zinc/18/28/88/349182888.db2.gz FBKSNROWCGUTLW-UHFFFAOYSA-N 1 1 261.325 2.944 20 30 CFEDMO CC(C)N(Cc1ccc(C#N)cc1)C[C@H]1CCC[N@H+]1C ZINC000593004701 349185591 /nfs/dbraw/zinc/18/55/91/349185591.db2.gz VVGAJXNCIYGBSB-QGZVFWFLSA-N 1 1 271.408 2.863 20 30 CFEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C ZINC000593004701 349185595 /nfs/dbraw/zinc/18/55/95/349185595.db2.gz VVGAJXNCIYGBSB-QGZVFWFLSA-N 1 1 271.408 2.863 20 30 CFEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C ZINC000593004701 349185599 /nfs/dbraw/zinc/18/55/99/349185599.db2.gz VVGAJXNCIYGBSB-QGZVFWFLSA-N 1 1 271.408 2.863 20 30 CFEDMO C[C@@H]([NH2+]Cc1cc2n(n1)CCC2)c1cccc(C#N)c1 ZINC000593021883 349188794 /nfs/dbraw/zinc/18/87/94/349188794.db2.gz ZJHXEZISFOTGKV-GFCCVEGCSA-N 1 1 266.348 2.552 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000593024974 349189984 /nfs/dbraw/zinc/18/99/84/349189984.db2.gz MHAUZIFILIOXPG-TZMCWYRMSA-N 1 1 271.320 2.841 20 30 CFEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)c1cccc(C#N)c1 ZINC000592753680 349164417 /nfs/dbraw/zinc/16/44/17/349164417.db2.gz PDQYXTCAZLOIDA-ZDUSSCGKSA-N 1 1 296.374 2.931 20 30 CFEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N(CCC#N)C(C)C ZINC000592755837 349165040 /nfs/dbraw/zinc/16/50/40/349165040.db2.gz BCKSNMSOEGRPFB-CYBMUJFWSA-N 1 1 276.384 2.547 20 30 CFEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CCC#N)CC1CC1 ZINC000592761736 349165207 /nfs/dbraw/zinc/16/52/07/349165207.db2.gz KDIRKHSNKGLEOA-ZDUSSCGKSA-N 1 1 288.395 2.549 20 30 CFEDMO CC(C)(C)OC(=O)C[C@@H]1CCCC[N@H+]1CCOCCC#N ZINC000593095494 349207989 /nfs/dbraw/zinc/20/79/89/349207989.db2.gz NKOUOELRPXNGMI-AWEZNQCLSA-N 1 1 296.411 2.503 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593114963 349212493 /nfs/dbraw/zinc/21/24/93/349212493.db2.gz BHXKGQAXUIEEET-ZIAGYGMSSA-N 1 1 280.412 2.585 20 30 CFEDMO N#Cc1ccc(F)c(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000593116712 349213713 /nfs/dbraw/zinc/21/37/13/349213713.db2.gz NYUKJWBDJONAPF-ZDUSSCGKSA-N 1 1 266.266 2.928 20 30 CFEDMO CC[N@@H+](CCCNC(=O)CC1(C#N)CC1)C1CCCCC1 ZINC000593253607 349235679 /nfs/dbraw/zinc/23/56/79/349235679.db2.gz USFAQXJTYIDOSJ-UHFFFAOYSA-N 1 1 291.439 2.841 20 30 CFEDMO CC[C@H]1COC(C)(C)C[N@@H+]1Cc1ccc(C#N)cc1OC ZINC000593057676 349196941 /nfs/dbraw/zinc/19/69/41/349196941.db2.gz GWKMYLDXENPRLL-HNNXBMFYSA-N 1 1 288.391 2.956 20 30 CFEDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(C#N)cc1OC ZINC000593057676 349196946 /nfs/dbraw/zinc/19/69/46/349196946.db2.gz GWKMYLDXENPRLL-HNNXBMFYSA-N 1 1 288.391 2.956 20 30 CFEDMO CC[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)[C@H](C)CO1 ZINC000593063773 349199515 /nfs/dbraw/zinc/19/95/15/349199515.db2.gz WQNBVZYMPKYHGH-CABCVRRESA-N 1 1 280.412 2.586 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593077435 349203212 /nfs/dbraw/zinc/20/32/12/349203212.db2.gz QAZOTSKGLAQHPD-NSHDSACASA-N 1 1 253.296 2.551 20 30 CFEDMO C[C@H]1C[N@H+](CCOc2ccccc2C#N)C2(CCC2)CO1 ZINC000593091628 349206568 /nfs/dbraw/zinc/20/65/68/349206568.db2.gz JBLUHDXKBXNBFA-AWEZNQCLSA-N 1 1 286.375 2.580 20 30 CFEDMO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)C2(CCC2)CO1 ZINC000593091628 349206573 /nfs/dbraw/zinc/20/65/73/349206573.db2.gz JBLUHDXKBXNBFA-AWEZNQCLSA-N 1 1 286.375 2.580 20 30 CFEDMO CC[C@@H](C#N)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000593385600 349257494 /nfs/dbraw/zinc/25/74/94/349257494.db2.gz BLRCGPNUBZACTN-FZMZJTMJSA-N 1 1 293.798 2.609 20 30 CFEDMO CC(C)C[N@@H+](C)CCCNc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000593479384 349278760 /nfs/dbraw/zinc/27/87/60/349278760.db2.gz CIVKNAWHQRQQPH-UHFFFAOYSA-N 1 1 290.367 2.856 20 30 CFEDMO CC[C@@H](C#N)C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000593786256 349327208 /nfs/dbraw/zinc/32/72/08/349327208.db2.gz LMBHPEQMLRPIDT-AWEZNQCLSA-N 1 1 279.428 2.697 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCCc3sccc3C2)nc1 ZINC000593957477 349339960 /nfs/dbraw/zinc/33/99/60/349339960.db2.gz AWNWPNUAUDPHQO-UHFFFAOYSA-N 1 1 269.373 2.963 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCCc3sccc3C2)nc1 ZINC000593957477 349339961 /nfs/dbraw/zinc/33/99/61/349339961.db2.gz AWNWPNUAUDPHQO-UHFFFAOYSA-N 1 1 269.373 2.963 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CCCC[C@H](SCC)C2)nn1 ZINC000593957787 349340242 /nfs/dbraw/zinc/34/02/42/349340242.db2.gz JFULNTJZYOERFO-HNNXBMFYSA-N 1 1 294.468 2.962 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccc(O)cc2)nc1 ZINC000593961920 349340889 /nfs/dbraw/zinc/34/08/89/349340889.db2.gz PXJXHNSIKVDSTD-KRWDZBQOSA-N 1 1 279.343 2.996 20 30 CFEDMO COc1ccc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)nn1 ZINC000594033127 349358064 /nfs/dbraw/zinc/35/80/64/349358064.db2.gz ILNHZDQNHRDCTC-UHFFFAOYSA-N 1 1 294.358 2.526 20 30 CFEDMO C[N@H+](CCc1noc2ccccc21)CC(C)(C)C#N ZINC000593993154 349347927 /nfs/dbraw/zinc/34/79/27/349347927.db2.gz KRTZYSXFMNKZGW-UHFFFAOYSA-N 1 1 257.337 2.852 20 30 CFEDMO C[N@@H+](CCc1noc2ccccc21)CC(C)(C)C#N ZINC000593993154 349347929 /nfs/dbraw/zinc/34/79/29/349347929.db2.gz KRTZYSXFMNKZGW-UHFFFAOYSA-N 1 1 257.337 2.852 20 30 CFEDMO CN1C[C@@H]([N@@H+](C)Cc2ccc(C(C)(C)C#N)cc2)CCC1=O ZINC000593995519 349348410 /nfs/dbraw/zinc/34/84/10/349348410.db2.gz VUDGUUDBJMNCGR-INIZCTEOSA-N 1 1 299.418 2.540 20 30 CFEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CCCCC[C@@H]1CO ZINC000594016961 349354462 /nfs/dbraw/zinc/35/44/62/349354462.db2.gz NYXWTMGFYNNBAT-OAHLLOKOSA-N 1 1 278.783 2.949 20 30 CFEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CCCCC[C@@H]1CO ZINC000594016961 349354465 /nfs/dbraw/zinc/35/44/65/349354465.db2.gz NYXWTMGFYNNBAT-OAHLLOKOSA-N 1 1 278.783 2.949 20 30 CFEDMO CCN(C)c1ccc(C[NH2+]CC2(C#N)CCCC2)cn1 ZINC000593654554 349305198 /nfs/dbraw/zinc/30/51/98/349305198.db2.gz HVYSROCJCSOYST-UHFFFAOYSA-N 1 1 272.396 2.711 20 30 CFEDMO CCOc1cc(C[NH2+]CC2(C#N)CCCC2)ccc1O ZINC000593654973 349306198 /nfs/dbraw/zinc/30/61/98/349306198.db2.gz SYIGUYQVZZAXOA-UHFFFAOYSA-N 1 1 274.364 2.964 20 30 CFEDMO C[N@H+]1CCN(Cc2ccc(C#N)o2)[C@H](Cc2ccccc2)C1 ZINC000593679066 349308468 /nfs/dbraw/zinc/30/84/68/349308468.db2.gz HNXDPBXNUNRKTB-MRXNPFEDSA-N 1 1 295.386 2.510 20 30 CFEDMO Cc1occc1C[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000414369380 233239559 /nfs/dbraw/zinc/23/95/59/233239559.db2.gz IZHIONKTJVKXCN-UHFFFAOYSA-N 1 1 295.386 2.778 20 30 CFEDMO CC[C@@H](CC#N)NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000594339812 349408972 /nfs/dbraw/zinc/40/89/72/349408972.db2.gz BOTRBYUNCYRENK-UONOGXRCSA-N 1 1 293.798 2.751 20 30 CFEDMO C[N@@H+](CCCNC(=O)CCCCC#N)C1CCCCC1 ZINC000594221842 349395808 /nfs/dbraw/zinc/39/58/08/349395808.db2.gz FOEHYTUUMJAINI-UHFFFAOYSA-N 1 1 279.428 2.841 20 30 CFEDMO CC(C)C[C@@H](C#N)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000594286526 349404442 /nfs/dbraw/zinc/40/44/42/349404442.db2.gz PKCMKQSGTGYTHQ-IRXDYDNUSA-N 1 1 299.418 2.563 20 30 CFEDMO CC[C@H](C#N)N(C)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000594085194 349370841 /nfs/dbraw/zinc/37/08/41/349370841.db2.gz JAFPGLSSABSSOK-KGLIPLIRSA-N 1 1 293.798 2.703 20 30 CFEDMO C[C@H](CC[NH+](C)C)NCc1ccc(C(C)(C)C#N)cc1 ZINC000594496668 349429991 /nfs/dbraw/zinc/42/99/91/349429991.db2.gz QXEREDKUGFRSDJ-CQSZACIVSA-N 1 1 273.424 2.918 20 30 CFEDMO C[C@H](CCN(C)C)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594496668 349429995 /nfs/dbraw/zinc/42/99/95/349429995.db2.gz QXEREDKUGFRSDJ-CQSZACIVSA-N 1 1 273.424 2.918 20 30 CFEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCn2ccnc21 ZINC000594498883 349431315 /nfs/dbraw/zinc/43/13/15/349431315.db2.gz CARGVZHIDQEKFS-JKSUJKDBSA-N 1 1 278.359 2.867 20 30 CFEDMO CCCC[N@@H+](CCO)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596976854 350010481 /nfs/dbraw/zinc/01/04/81/350010481.db2.gz BDGUGMYJZYCLJU-UHFFFAOYSA-N 1 1 272.392 2.836 20 30 CFEDMO CC[C@@H]1COCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000596991940 350012392 /nfs/dbraw/zinc/01/23/92/350012392.db2.gz OYOIKJDUIVZCMV-MRXNPFEDSA-N 1 1 270.376 2.853 20 30 CFEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCC[C@@H]1O ZINC000597026503 350018012 /nfs/dbraw/zinc/01/80/12/350018012.db2.gz JDDFBEVTNOZSSI-WBVHZDCISA-N 1 1 284.403 2.835 20 30 CFEDMO C[N@@H+](Cc1cccc(OCCCC#N)c1)C1(CO)CCC1 ZINC000597252859 350073692 /nfs/dbraw/zinc/07/36/92/350073692.db2.gz AMJOAHWJVHFVTI-UHFFFAOYSA-N 1 1 288.391 2.716 20 30 CFEDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC1(C#N)CCCCC1 ZINC000597291123 350079837 /nfs/dbraw/zinc/07/98/37/350079837.db2.gz BMFHOKXWEBFJQR-GJZGRUSLSA-N 1 1 291.439 2.649 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1cnn2c1CCC2 ZINC000597161915 350042561 /nfs/dbraw/zinc/04/25/61/350042561.db2.gz SQBIAFUFTVCHEH-ZDUSSCGKSA-N 1 1 280.375 2.894 20 30 CFEDMO CN(Cc1cnc[nH]1)Cc1cccc(OCCCC#N)c1 ZINC000597171516 350043068 /nfs/dbraw/zinc/04/30/68/350043068.db2.gz TZTGVQZYOMVNEP-UHFFFAOYSA-N 1 1 284.363 2.724 20 30 CFEDMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1 ZINC000597173590 350043782 /nfs/dbraw/zinc/04/37/82/350043782.db2.gz KQWJVPNOLSOWIP-AWEZNQCLSA-N 1 1 271.364 2.771 20 30 CFEDMO COc1cc2c(cc1C[N@@H+]1CCC[C@H](CC#N)C1)OCO2 ZINC000597177021 350045345 /nfs/dbraw/zinc/04/53/45/350045345.db2.gz LREZSCMOKDTJPT-GFCCVEGCSA-N 1 1 288.347 2.550 20 30 CFEDMO COc1cc2c(cc1C[N@H+]1CCC[C@H](CC#N)C1)OCO2 ZINC000597177021 350045346 /nfs/dbraw/zinc/04/53/46/350045346.db2.gz LREZSCMOKDTJPT-GFCCVEGCSA-N 1 1 288.347 2.550 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000597178163 350045477 /nfs/dbraw/zinc/04/54/77/350045477.db2.gz VZWMFYSSECENEN-OAHLLOKOSA-N 1 1 280.375 2.998 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccccc2)C1 ZINC000597178163 350045479 /nfs/dbraw/zinc/04/54/79/350045479.db2.gz VZWMFYSSECENEN-OAHLLOKOSA-N 1 1 280.375 2.998 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](Cc2cc3cnccc3o2)C1 ZINC000597177517 350045513 /nfs/dbraw/zinc/04/55/13/350045513.db2.gz NYGQJLPHTWTUTH-GFCCVEGCSA-N 1 1 255.321 2.953 20 30 CFEDMO COCCOc1ccccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597177600 350045648 /nfs/dbraw/zinc/04/56/48/350045648.db2.gz QDDPYQRICFHLRJ-HNNXBMFYSA-N 1 1 288.391 2.837 20 30 CFEDMO 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350479089 /nfs/dbraw/zinc/47/90/89/350479089.db2.gz OCKYXPPXJMZNNN-UHFFFAOYSA-N 1 1 276.380 2.550 20 30 CFEDMO COc1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)ccn1 ZINC000599677868 350479488 /nfs/dbraw/zinc/47/94/88/350479488.db2.gz QHTGYJLJOLIJGA-UHFFFAOYSA-N 1 1 293.370 2.715 20 30 CFEDMO COc1cc(C[N@H+]2CCc3c(CC#N)cccc3C2)ccn1 ZINC000599677868 350479494 /nfs/dbraw/zinc/47/94/94/350479494.db2.gz QHTGYJLJOLIJGA-UHFFFAOYSA-N 1 1 293.370 2.715 20 30 CFEDMO CC[C@@H](C[N@H+]1CCc2c(CC#N)cccc2C1)OC ZINC000599679185 350480884 /nfs/dbraw/zinc/48/08/84/350480884.db2.gz XAYIQIMZSFJYFR-HNNXBMFYSA-N 1 1 258.365 2.536 20 30 CFEDMO Cc1cc(C)n(CC[N@H+]2CCc3c(CC#N)cccc3C2)n1 ZINC000599679731 350481127 /nfs/dbraw/zinc/48/11/27/350481127.db2.gz XNUPKWRVHYLIMF-UHFFFAOYSA-N 1 1 294.402 2.624 20 30 CFEDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000599692439 350483888 /nfs/dbraw/zinc/48/38/88/350483888.db2.gz WVDAGNIDKJFVIU-YWVIFJGQSA-N 1 1 286.375 2.720 20 30 CFEDMO COC(=O)C1C[C@@H](C)[NH+](Cc2ccccc2C#N)[C@H](C)C1 ZINC000599706526 350486893 /nfs/dbraw/zinc/48/68/93/350486893.db2.gz LLBIWSVPUKZFSH-CHWSQXEVSA-N 1 1 286.375 2.720 20 30 CFEDMO C[N@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCCOC1 ZINC000107064492 186159117 /nfs/dbraw/zinc/15/91/17/186159117.db2.gz IHJMMJREAKMRST-ZDUSSCGKSA-N 1 1 262.328 2.556 20 30 CFEDMO C=CCC[C@H]([NH2+]C[C@]1(C)CCCS1)C(=O)OCC ZINC000600167757 350527538 /nfs/dbraw/zinc/52/75/38/350527538.db2.gz CQRNFRLOPRJYLE-JSGCOSHPSA-N 1 1 271.426 2.760 20 30 CFEDMO N#Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000107829934 186193782 /nfs/dbraw/zinc/19/37/82/186193782.db2.gz GZWWFVQWAWNZNG-CHWSQXEVSA-N 1 1 286.335 2.505 20 30 CFEDMO COCC(C)(C)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600212231 350540877 /nfs/dbraw/zinc/54/08/77/350540877.db2.gz AFPZBYYFWVWCOW-UHFFFAOYSA-N 1 1 272.392 2.783 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)Cc1ccnn1C ZINC000092505688 180398389 /nfs/dbraw/zinc/39/83/89/180398389.db2.gz GWDMMKCFIGPRGR-UHFFFAOYSA-N 1 1 255.365 2.651 20 30 CFEDMO COc1cc(C[NH2+]CC2(C#N)CC2)ccc1Cl ZINC000600153830 350523616 /nfs/dbraw/zinc/52/36/16/350523616.db2.gz QOMPAOIMGMZQRU-UHFFFAOYSA-N 1 1 250.729 2.742 20 30 CFEDMO CCOC(=O)c1[nH]c(C)c(C[NH2+]CC2(C#N)CCC2)c1C ZINC000600164396 350525888 /nfs/dbraw/zinc/52/58/88/350525888.db2.gz DLJKCTUCWQUVGF-UHFFFAOYSA-N 1 1 289.379 2.592 20 30 CFEDMO C#CCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271378312 191106877 /nfs/dbraw/zinc/10/68/77/191106877.db2.gz NIQCLUAFMREWSG-QGZVFWFLSA-N 1 1 284.403 2.571 20 30 CFEDMO CCc1nn(C)cc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600213312 350541241 /nfs/dbraw/zinc/54/12/41/350541241.db2.gz SQCGMLGPXCTIBG-UHFFFAOYSA-N 1 1 294.402 2.607 20 30 CFEDMO CCc1nn(C)cc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600213312 350541242 /nfs/dbraw/zinc/54/12/42/350541242.db2.gz SQCGMLGPXCTIBG-UHFFFAOYSA-N 1 1 294.402 2.607 20 30 CFEDMO C=Cn1cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)cn1 ZINC000600213594 350541701 /nfs/dbraw/zinc/54/17/01/350541701.db2.gz 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/nfs/dbraw/zinc/67/44/19/350674419.db2.gz SAHVRLINIRUBPK-SWLSCSKDSA-N 1 1 299.422 2.535 20 30 CFEDMO N#Cc1cnc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2sccc21 ZINC000601104782 350668955 /nfs/dbraw/zinc/66/89/55/350668955.db2.gz GRKXUSLIPOFTDX-STQMWFEESA-N 1 1 298.415 2.629 20 30 CFEDMO N#Cc1cnc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c2sccc21 ZINC000601104588 350669315 /nfs/dbraw/zinc/66/93/15/350669315.db2.gz AYHXBKMXFHHHQH-KGLIPLIRSA-N 1 1 298.415 2.629 20 30 CFEDMO CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2CC#N)C1 ZINC000601259475 350711006 /nfs/dbraw/zinc/71/10/06/350711006.db2.gz WJWDCFUUUXCHOB-OAHLLOKOSA-N 1 1 299.418 2.557 20 30 CFEDMO COc1cncc(C[NH2+]CC2(C#N)CCCCC2)c1C ZINC000601132302 350677308 /nfs/dbraw/zinc/67/73/08/350677308.db2.gz DONCXQFIWUNRRC-UHFFFAOYSA-N 1 1 273.380 2.962 20 30 CFEDMO CC[C@H]1C[N@@H+](C)CCN1c1ncc(C#N)c2ccsc21 ZINC000601169245 350687342 /nfs/dbraw/zinc/68/73/42/350687342.db2.gz KKOWMEFYOVIZBV-LBPRGKRZSA-N 1 1 286.404 2.698 20 30 CFEDMO CC[C@H]1C[N@@H+](C)CCCN1c1ccc(Cl)c(C#N)n1 ZINC000601192053 350692789 /nfs/dbraw/zinc/69/27/89/350692789.db2.gz PXCKIMDUBJIVIS-NSHDSACASA-N 1 1 278.787 2.527 20 30 CFEDMO CC[C@@H]1[C@@H](C(=O)NC(C)(C)c2cccc(C#N)c2)CC[N@H+]1C ZINC000601663393 350755457 /nfs/dbraw/zinc/75/54/57/350755457.db2.gz CNAFGNQQIMXMMU-JKSUJKDBSA-N 1 1 299.418 2.640 20 30 CFEDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC12CCC2 ZINC000601960031 350819687 /nfs/dbraw/zinc/81/96/87/350819687.db2.gz VIRNDGPTKQDFMB-KBPBESRZSA-N 1 1 262.397 2.552 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CCCC#N ZINC000601707396 350766188 /nfs/dbraw/zinc/76/61/88/350766188.db2.gz YTMQLCSHFSKZRS-WBVHZDCISA-N 1 1 299.418 2.565 20 30 CFEDMO C=CC[N@@H+](CCn1ccccc1=O)CC1CCCCC1 ZINC000601755480 350772805 /nfs/dbraw/zinc/77/28/05/350772805.db2.gz HOUMPRJHDRHVRQ-UHFFFAOYSA-N 1 1 274.408 2.917 20 30 CFEDMO CC(C)(C#N)c1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000601974519 350822274 /nfs/dbraw/zinc/82/22/74/350822274.db2.gz JXOMJVXWSLZOBZ-GASCZTMLSA-N 1 1 270.376 2.566 20 30 CFEDMO C[NH+]1CCC(C)(CNCc2cccc(F)c2C#N)CC1 ZINC000602014452 350831626 /nfs/dbraw/zinc/83/16/26/350831626.db2.gz DLYWNBGWNSSGHT-UHFFFAOYSA-N 1 1 275.371 2.519 20 30 CFEDMO N#Cc1c(F)cccc1CNC[C@H]1CC[N@H+]1C1CCCC1 ZINC000602016590 350832497 /nfs/dbraw/zinc/83/24/97/350832497.db2.gz HHNMYBODVISGMV-OAHLLOKOSA-N 1 1 287.382 2.804 20 30 CFEDMO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1cccc(C#N)c1 ZINC000602022873 350834763 /nfs/dbraw/zinc/83/47/63/350834763.db2.gz WNLWWKHNOFMEGV-CJNGLKHVSA-N 1 1 271.408 2.987 20 30 CFEDMO C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)c1cccc(C#N)c1 ZINC000602110849 350841758 /nfs/dbraw/zinc/84/17/58/350841758.db2.gz XNFMBBIPIASODD-CYBMUJFWSA-N 1 1 287.407 2.713 20 30 CFEDMO C[N@@H+](CCNCc1cccc(F)c1C#N)C1CCCC1 ZINC000602004413 350828369 /nfs/dbraw/zinc/82/83/69/350828369.db2.gz VDEPPJKTDIEDJA-UHFFFAOYSA-N 1 1 275.371 2.661 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000602478412 350899974 /nfs/dbraw/zinc/89/99/74/350899974.db2.gz XULYZNFKVAMWLW-HUUCEWRRSA-N 1 1 250.386 2.819 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2cccc(C#N)n2)CC12CCC2 ZINC000602595035 350939546 /nfs/dbraw/zinc/93/95/46/350939546.db2.gz FXTOTVCERMEMHQ-ZDUSSCGKSA-N 1 1 255.365 2.965 20 30 CFEDMO C[N@@H+](CCCNCc1cccc(C#N)n1)Cc1ccccc1 ZINC000602510899 350910267 /nfs/dbraw/zinc/91/02/67/350910267.db2.gz GWFWBWJXELTBJH-UHFFFAOYSA-N 1 1 294.402 2.565 20 30 CFEDMO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCN1CCCCC1 ZINC000602510220 350910588 /nfs/dbraw/zinc/91/05/88/350910588.db2.gz FGBYYPJAARJQDQ-MRXNPFEDSA-N 1 1 293.455 2.551 20 30 CFEDMO CC[NH+](CC)[C@H](CNCc1cccc(C#N)n1)c1ccco1 ZINC000602525834 350915042 /nfs/dbraw/zinc/91/50/42/350915042.db2.gz SNMGLPKAWGJDGF-MRXNPFEDSA-N 1 1 298.390 2.719 20 30 CFEDMO N#Cc1cccc(C[NH2+][C@@H]2CCOc3ccc(F)cc32)n1 ZINC000602540542 350918456 /nfs/dbraw/zinc/91/84/56/350918456.db2.gz PBAYLPXIUFTGNV-OAHLLOKOSA-N 1 1 283.306 2.706 20 30 CFEDMO CCOCCCN1CC[C@H]([NH2+]C[C@H](C)CCC#N)[C@H](C)C1 ZINC000602547389 350920427 /nfs/dbraw/zinc/92/04/27/350920427.db2.gz XXVHHWHMOMVIJY-ZACQAIPSSA-N 1 1 295.471 2.653 20 30 CFEDMO C[C@H](C[N@H+](C)Cc1ccccc1)NCc1cccc(C#N)n1 ZINC000602581939 350933651 /nfs/dbraw/zinc/93/36/51/350933651.db2.gz LFNRXBAVVOYURL-OAHLLOKOSA-N 1 1 294.402 2.563 20 30 CFEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)NCc1cccc(C#N)n1 ZINC000602581939 350933655 /nfs/dbraw/zinc/93/36/55/350933655.db2.gz LFNRXBAVVOYURL-OAHLLOKOSA-N 1 1 294.402 2.563 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2ccccn2)n1 ZINC000602440743 350883338 /nfs/dbraw/zinc/88/33/38/350883338.db2.gz AULWIRCERQPMFL-INIZCTEOSA-N 1 1 264.332 2.685 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2ccccn2)n1 ZINC000602440743 350883342 /nfs/dbraw/zinc/88/33/42/350883342.db2.gz AULWIRCERQPMFL-INIZCTEOSA-N 1 1 264.332 2.685 20 30 CFEDMO CC[NH+](CC)CC1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602441783 350884858 /nfs/dbraw/zinc/88/48/58/350884858.db2.gz WCWSWZCDXLGPDS-UHFFFAOYSA-N 1 1 286.423 2.507 20 30 CFEDMO COC(=O)CC[N@H+](Cc1ccccc1)C[C@H](C)CCC#N ZINC000602443375 350885399 /nfs/dbraw/zinc/88/53/99/350885399.db2.gz SWEINVBIWARCQJ-OAHLLOKOSA-N 1 1 288.391 2.992 20 30 CFEDMO CCCN1CCC([N@H+](C)C[C@H](C)CCC#N)CC1 ZINC000602448554 350887266 /nfs/dbraw/zinc/88/72/66/350887266.db2.gz LZDABGHNMJSXOT-CQSZACIVSA-N 1 1 251.418 2.732 20 30 CFEDMO CCCN1CCC([N@@H+](C)C[C@H](C)CCC#N)CC1 ZINC000602448554 350887268 /nfs/dbraw/zinc/88/72/68/350887268.db2.gz LZDABGHNMJSXOT-CQSZACIVSA-N 1 1 251.418 2.732 20 30 CFEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602456822 350888859 /nfs/dbraw/zinc/88/88/59/350888859.db2.gz YXDNUNMGOKCOBK-HUUCEWRRSA-N 1 1 279.428 2.555 20 30 CFEDMO CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602456820 350888897 /nfs/dbraw/zinc/88/88/97/350888897.db2.gz YXDNUNMGOKCOBK-CABCVRRESA-N 1 1 279.428 2.555 20 30 CFEDMO N#Cc1cccc(C[NH+]2CCC(OC3CCCC3)CC2)n1 ZINC000602455108 350889630 /nfs/dbraw/zinc/88/96/30/350889630.db2.gz VCOUYWKFRXEINT-UHFFFAOYSA-N 1 1 285.391 2.877 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1nccn1CC(F)(F)F ZINC000602460505 350890504 /nfs/dbraw/zinc/89/05/04/350890504.db2.gz UBJZMZFNFIWVKP-LLVKDONJSA-N 1 1 288.317 2.817 20 30 CFEDMO COC(=O)[C@@H](c1ccccc1)[N@H+](C)C[C@@H](C)CCC#N ZINC000602470277 350893479 /nfs/dbraw/zinc/89/34/79/350893479.db2.gz YGHQTLSNDOHTJN-DZGCQCFKSA-N 1 1 274.364 2.772 20 30 CFEDMO COC(=O)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H](C)CCC#N ZINC000602470277 350893480 /nfs/dbraw/zinc/89/34/80/350893480.db2.gz YGHQTLSNDOHTJN-DZGCQCFKSA-N 1 1 274.364 2.772 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000602642069 350957880 /nfs/dbraw/zinc/95/78/80/350957880.db2.gz HPZSEXOUGJAUBE-FXUDXRNXSA-N 1 1 280.412 2.585 20 30 CFEDMO CC(C)C[C@]1(CO)CCC[N@H+]1C[C@H](C)CCC#N ZINC000602640853 350958041 /nfs/dbraw/zinc/95/80/41/350958041.db2.gz DUPSITCVUFQEQB-CABCVRRESA-N 1 1 252.402 2.799 20 30 CFEDMO COc1cc2c(cc1OC)[C@@H]([NH2+]CC1(C#N)CC1)CC2 ZINC000602642030 350958314 /nfs/dbraw/zinc/95/83/14/350958314.db2.gz HAGMHZHHLFQKEV-ZDUSSCGKSA-N 1 1 272.348 2.584 20 30 CFEDMO Cc1noc([C@H]2CCCC[N@@H+]2C[C@@H](C)CCC#N)n1 ZINC000602652745 350961615 /nfs/dbraw/zinc/96/16/15/350961615.db2.gz FPSKRYJUXYHGCJ-WCQYABFASA-N 1 1 262.357 2.845 20 30 CFEDMO Cc1ccc(C[N@@H+](CCN(C)C)C[C@H](C)CCC#N)o1 ZINC000602658411 350964435 /nfs/dbraw/zinc/96/44/35/350964435.db2.gz WKUYQSFGYMPYOU-CQSZACIVSA-N 1 1 277.412 2.892 20 30 CFEDMO Cc1ccc(C[N@H+](CCN(C)C)C[C@H](C)CCC#N)o1 ZINC000602658411 350964439 /nfs/dbraw/zinc/96/44/39/350964439.db2.gz WKUYQSFGYMPYOU-CQSZACIVSA-N 1 1 277.412 2.892 20 30 CFEDMO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602663933 350966769 /nfs/dbraw/zinc/96/67/69/350966769.db2.gz KZSJBNOGXMPDQR-ZBEGNZNMSA-N 1 1 265.316 2.565 20 30 CFEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc(F)c2C#N)C1 ZINC000602666735 350967697 /nfs/dbraw/zinc/96/76/97/350967697.db2.gz OOFALHFTTKTZIA-RHSMWYFYSA-N 1 1 287.382 2.613 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000602665790 350967961 /nfs/dbraw/zinc/96/79/61/350967961.db2.gz 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/nfs/dbraw/zinc/00/91/33/351009133.db2.gz KTSPAXLMJHUTEZ-CQSZACIVSA-N 1 1 251.418 2.732 20 30 CFEDMO COc1cc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)on1 ZINC000602713061 350994576 /nfs/dbraw/zinc/99/45/76/350994576.db2.gz IDYMHQSHFYKLSR-UHFFFAOYSA-N 1 1 285.347 2.774 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCOc2ccc(O)cc2C1 ZINC000602717479 350998174 /nfs/dbraw/zinc/99/81/74/350998174.db2.gz GNKDPNFCXHXJBE-GFCCVEGCSA-N 1 1 260.337 2.526 20 30 CFEDMO N#CCCC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000602604418 350942322 /nfs/dbraw/zinc/94/23/22/350942322.db2.gz NPLLRMPQIQTUAS-UHFFFAOYSA-N 1 1 294.152 2.984 20 30 CFEDMO CC(C)([NH2+]Cc1cccc(C#N)n1)c1ccc([N+](=O)[O-])cc1 ZINC000602614461 350947278 /nfs/dbraw/zinc/94/72/78/350947278.db2.gz ZNPTVXJIFCDNPO-UHFFFAOYSA-N 1 1 296.330 2.886 20 30 CFEDMO CCC1(CC)C[N@@H+](C[C@H](C)CCC#N)CC[S@]1=O ZINC000602619513 350949231 /nfs/dbraw/zinc/94/92/31/350949231.db2.gz OMTVCMWSLZSNEK-FZKQIMNGSA-N 1 1 270.442 2.549 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000602620942 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351063388 /nfs/dbraw/zinc/06/33/88/351063388.db2.gz OIUSWKVGKIXXNY-KRWDZBQOSA-N 1 1 298.434 2.617 20 30 CFEDMO C[N@@H+]1CCC[C@H]1CCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907582 351063391 /nfs/dbraw/zinc/06/33/91/351063391.db2.gz OIUSWKVGKIXXNY-KRWDZBQOSA-N 1 1 298.434 2.617 20 30 CFEDMO C[N@H+]1CCC[C@H]1CCN1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907582 351063393 /nfs/dbraw/zinc/06/33/93/351063393.db2.gz OIUSWKVGKIXXNY-KRWDZBQOSA-N 1 1 298.434 2.617 20 30 CFEDMO CC[C@]1(O)CCC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000602741886 351011153 /nfs/dbraw/zinc/01/11/53/351011153.db2.gz XGTGLESUUYLJBA-INIZCTEOSA-N 1 1 258.365 2.604 20 30 CFEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@H]1CN2CCC1CC2 ZINC000602746626 351012572 /nfs/dbraw/zinc/01/25/72/351012572.db2.gz HGWHUPASCZWKMT-SFHVURJKSA-N 1 1 295.430 2.768 20 30 CFEDMO CN(Cc1ccc(C2(C#N)CC2)cc1)[C@H]1C[NH+]2CCC1CC2 ZINC000602746626 351012576 /nfs/dbraw/zinc/01/25/76/351012576.db2.gz HGWHUPASCZWKMT-SFHVURJKSA-N 1 1 295.430 2.768 20 30 CFEDMO 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CFEDMO COc1ccc(C[N@@H+](CCC#N)[C@H](C)CCCO)cc1 ZINC000602966470 351073442 /nfs/dbraw/zinc/07/34/42/351073442.db2.gz GQGMZMGGODWXIJ-CQSZACIVSA-N 1 1 276.380 2.572 20 30 CFEDMO COC(=O)c1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602973665 351074582 /nfs/dbraw/zinc/07/45/82/351074582.db2.gz CUPXUTCYAWVBGS-LSDHHAIUSA-N 1 1 272.348 2.597 20 30 CFEDMO COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)cc1 ZINC000602973665 351074584 /nfs/dbraw/zinc/07/45/84/351074584.db2.gz CUPXUTCYAWVBGS-LSDHHAIUSA-N 1 1 272.348 2.597 20 30 CFEDMO COc1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1F ZINC000602975759 351076322 /nfs/dbraw/zinc/07/63/22/351076322.db2.gz GWERGXOJGVOHPC-TZMCWYRMSA-N 1 1 262.328 2.958 20 30 CFEDMO COc1ccc(C[N@@H+](C)[C@@H]2CCC[C@@H]2C#N)cc1F ZINC000602975759 351076324 /nfs/dbraw/zinc/07/63/24/351076324.db2.gz GWERGXOJGVOHPC-TZMCWYRMSA-N 1 1 262.328 2.958 20 30 CFEDMO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602977435 351077529 /nfs/dbraw/zinc/07/75/29/351077529.db2.gz 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ZINC000449782607 242158848 /nfs/dbraw/zinc/15/88/48/242158848.db2.gz LDWGWLJNGNFNBE-CVEARBPZSA-N 1 1 270.376 2.724 20 30 CFEDMO CC(C)[N@H+]1C[C@H](C)[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450376763 242385445 /nfs/dbraw/zinc/38/54/45/242385445.db2.gz HNOKMOQXOQAIMM-SMDDNHRTSA-N 1 1 288.351 2.607 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](CCCO)C1 ZINC000452122220 243051897 /nfs/dbraw/zinc/05/18/97/243051897.db2.gz OKXUBANHUPINES-KBPBESRZSA-N 1 1 258.365 2.714 20 30 CFEDMO C=CC[N@@H+](CCCCS(C)(=O)=O)CCc1ccccc1 ZINC000161699547 541742533 /nfs/dbraw/zinc/74/25/33/541742533.db2.gz MJKAZGLVZZFTGQ-UHFFFAOYSA-N 1 1 295.448 2.542 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000276208260 193243501 /nfs/dbraw/zinc/24/35/01/193243501.db2.gz WBQVCHIVCVEBGP-WFASDCNBSA-N 1 1 263.385 2.546 20 30 CFEDMO C#CCC1(C(=O)NCCCn2cc[nH+]c2C)CCCCC1 ZINC000276290095 193274546 /nfs/dbraw/zinc/27/45/46/193274546.db2.gz MOCSEANGWGOXNS-UHFFFAOYSA-N 1 1 287.407 2.672 20 30 CFEDMO C=CCC[N@H+](C)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000276341140 193293048 /nfs/dbraw/zinc/29/30/48/193293048.db2.gz CIUQYBKGSIIXTQ-SJLPKXTDSA-N 1 1 289.419 2.949 20 30 CFEDMO C=CCC[N@H+](C)CCC(=O)Nc1cccc(OC)c1 ZINC000276353524 193297432 /nfs/dbraw/zinc/29/74/32/193297432.db2.gz DQZKWXOINAWUGQ-UHFFFAOYSA-N 1 1 262.353 2.532 20 30 CFEDMO C=CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000276434697 193329897 /nfs/dbraw/zinc/32/98/97/193329897.db2.gz NZYFZDXJHQSVPF-LBPRGKRZSA-N 1 1 274.364 2.724 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C(C)=O ZINC000276434697 193329898 /nfs/dbraw/zinc/32/98/98/193329898.db2.gz NZYFZDXJHQSVPF-LBPRGKRZSA-N 1 1 274.364 2.724 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000276472644 193344970 /nfs/dbraw/zinc/34/49/70/193344970.db2.gz RTDFTCVDMYFJBW-UHFFFAOYSA-N 1 1 270.735 2.926 20 30 CFEDMO C[C@H](CO)[N@@H+](CCOc1cccc(C#N)c1)C1CCCC1 ZINC000276482226 193349881 /nfs/dbraw/zinc/34/98/81/193349881.db2.gz SGUMRXJWKRVDBB-CQSZACIVSA-N 1 1 288.391 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DYIIVNQCDYVOEI-UONOGXRCSA-N 1 1 298.308 2.693 20 30 CFEDMO CC(C)[N@@H+](C)CCNc1ccc(Cl)cc1C#N ZINC000054128161 373500350 /nfs/dbraw/zinc/50/03/50/373500350.db2.gz IMZZSQYJXYJEEV-UHFFFAOYSA-N 1 1 251.761 2.964 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(C#N)c(C)n2)C[C@H]1C ZINC000488114467 245814476 /nfs/dbraw/zinc/81/44/76/245814476.db2.gz LHGGOAOCBYDIJL-IUODEOHRSA-N 1 1 272.396 2.571 20 30 CFEDMO CCOC(=O)CC[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000055059361 373537457 /nfs/dbraw/zinc/53/74/57/373537457.db2.gz KPUUXYPQPHLDHY-CYBMUJFWSA-N 1 1 274.364 2.894 20 30 CFEDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc(F)cc1C#N ZINC000451728226 383693384 /nfs/dbraw/zinc/69/33/84/383693384.db2.gz FBDOWQRELKOCOB-INIZCTEOSA-N 1 1 275.371 2.613 20 30 CFEDMO C[C@@H](CO)[N@H+](Cc1ccc(C#N)s1)CC1CCC1 ZINC000289550116 197398892 /nfs/dbraw/zinc/39/88/92/197398892.db2.gz RBMKYVWKZOKBIR-NSHDSACASA-N 1 1 264.394 2.603 20 30 CFEDMO CCC[N@@H+](CCn1cccn1)Cc1ccc(C#N)cc1 ZINC000064141767 373818807 /nfs/dbraw/zinc/81/88/07/373818807.db2.gz GMZIAQJOWBEMTI-UHFFFAOYSA-N 1 1 268.364 2.667 20 30 CFEDMO C=CC[N@H+](CCOCC)Cc1cccc([N+](=O)[O-])c1 ZINC000063381211 373802271 /nfs/dbraw/zinc/80/22/71/373802271.db2.gz LMZUYISLGOCASN-UHFFFAOYSA-N 1 1 264.325 2.619 20 30 CFEDMO Cc1ncsc1C[N@@H+](C)CCOc1cccc(C#N)c1 ZINC000066563721 373939165 /nfs/dbraw/zinc/93/91/65/373939165.db2.gz LCAKFJHKPOBWBF-UHFFFAOYSA-N 1 1 287.388 2.834 20 30 CFEDMO CCC(=O)CCC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000289535464 197393134 /nfs/dbraw/zinc/39/31/34/197393134.db2.gz GUSYUUNWYQSEEE-UHFFFAOYSA-N 1 1 299.418 2.830 20 30 CFEDMO CN(Cc1ccc(C#N)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289511486 197384553 /nfs/dbraw/zinc/38/45/53/197384553.db2.gz GUDFCSUCTRKLAW-FUNVUKJBSA-N 1 1 275.421 2.677 20 30 CFEDMO C#CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000071015459 374210195 /nfs/dbraw/zinc/21/01/95/374210195.db2.gz UQWWRSCNMCFBHV-UHFFFAOYSA-N 1 1 298.308 2.988 20 30 CFEDMO C#CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)C(C)C ZINC000071015459 374210201 /nfs/dbraw/zinc/21/02/01/374210201.db2.gz UQWWRSCNMCFBHV-UHFFFAOYSA-N 1 1 298.308 2.988 20 30 CFEDMO COCC#CC[N@@H+](C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000677818212 541909894 /nfs/dbraw/zinc/90/98/94/541909894.db2.gz HNXLQDJFJZEPSN-QZTJIDSGSA-N 1 1 287.403 2.736 20 30 CFEDMO C=CCN(CC=C)C(=O)C[NH2+][C@](C)(CC)c1nccs1 ZINC000072684384 374278241 /nfs/dbraw/zinc/27/82/41/374278241.db2.gz RIIQFEAORMCHJG-OAHLLOKOSA-N 1 1 293.436 2.559 20 30 CFEDMO COCC#CC[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000677818531 541910344 /nfs/dbraw/zinc/91/03/44/541910344.db2.gz QVPJWJXXLQTCPN-KRWDZBQOSA-N 1 1 257.377 2.733 20 30 CFEDMO CC1(C)CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000072827081 374289848 /nfs/dbraw/zinc/28/98/48/374289848.db2.gz WFIYBJDEWOVAAI-UHFFFAOYSA-N 1 1 291.782 2.882 20 30 CFEDMO CC1(C)CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC000072827081 374289856 /nfs/dbraw/zinc/28/98/56/374289856.db2.gz WFIYBJDEWOVAAI-UHFFFAOYSA-N 1 1 291.782 2.882 20 30 CFEDMO 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WKIOCDVUSBIRQP-UHFFFAOYSA-N 1 1 284.338 2.747 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC#N)cc1 ZINC000123903796 376994385 /nfs/dbraw/zinc/99/43/85/376994385.db2.gz SLOLRNGGGRMMTM-HNNXBMFYSA-N 1 1 271.364 2.566 20 30 CFEDMO CCCCCCC[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000124954705 377103349 /nfs/dbraw/zinc/10/33/49/377103349.db2.gz DOJFMYYEZUQOAU-HUUCEWRRSA-N 1 1 266.429 2.947 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CCO[C@@H](CC)C1 ZINC000125556760 377170955 /nfs/dbraw/zinc/17/09/55/377170955.db2.gz XMXWIXJPBZQXOK-HNNXBMFYSA-N 1 1 261.365 2.862 20 30 CFEDMO C=CCOc1ccccc1C[N@H+]1CCO[C@@H](CC)C1 ZINC000125556760 377170964 /nfs/dbraw/zinc/17/09/64/377170964.db2.gz XMXWIXJPBZQXOK-HNNXBMFYSA-N 1 1 261.365 2.862 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cn2cccnc2n1 ZINC000126242008 377220316 /nfs/dbraw/zinc/22/03/16/377220316.db2.gz GZZKDZQMJRIPDQ-UHFFFAOYSA-N 1 1 292.386 2.960 20 30 CFEDMO C=C(C)COCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000128047507 377315457 /nfs/dbraw/zinc/31/54/57/377315457.db2.gz MCONNLGZDRUTRV-OAHLLOKOSA-N 1 1 271.364 2.681 20 30 CFEDMO Cc1cccc(NC(=O)[C@@H](C)O[NH+]=C(N)C(C)C)c1C ZINC000128416572 377333887 /nfs/dbraw/zinc/33/38/87/377333887.db2.gz HFIMLUYEQCENGA-GFCCVEGCSA-N 1 1 277.368 2.575 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](OCCC)CC1 ZINC000128416558 377334081 /nfs/dbraw/zinc/33/40/81/377334081.db2.gz RNJYYKIBOIWDLF-HUUCEWRRSA-N 1 1 255.402 2.595 20 30 CFEDMO CCN(CC)[C@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000127416166 377279959 /nfs/dbraw/zinc/27/99/59/377279959.db2.gz SNIZODJTDGCTED-AWEZNQCLSA-N 1 1 251.418 2.732 20 30 CFEDMO CCN(CC)[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000127416166 377279965 /nfs/dbraw/zinc/27/99/65/377279965.db2.gz SNIZODJTDGCTED-AWEZNQCLSA-N 1 1 251.418 2.732 20 30 CFEDMO C=CC[C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000127443232 377281634 /nfs/dbraw/zinc/28/16/34/377281634.db2.gz CMRFVODSUBSALD-SQWLQELKSA-N 1 1 291.439 2.609 20 30 CFEDMO CCC(C#N)(CC)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000529526985 383720539 /nfs/dbraw/zinc/72/05/39/383720539.db2.gz OSVZGKJDXCFKMO-MRXNPFEDSA-N 1 1 299.418 2.707 20 30 CFEDMO CCC(C#N)(CC)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000529526985 383720543 /nfs/dbraw/zinc/72/05/43/383720543.db2.gz OSVZGKJDXCFKMO-MRXNPFEDSA-N 1 1 299.418 2.707 20 30 CFEDMO C[C@H](CC#N)[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000129546091 377442572 /nfs/dbraw/zinc/44/25/72/377442572.db2.gz AWWCUAFMWSAFNA-CYBMUJFWSA-N 1 1 254.337 2.606 20 30 CFEDMO C[C@H](CC#N)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000129546091 377442581 /nfs/dbraw/zinc/44/25/81/377442581.db2.gz AWWCUAFMWSAFNA-CYBMUJFWSA-N 1 1 254.337 2.606 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000679327331 542168276 /nfs/dbraw/zinc/16/82/76/542168276.db2.gz HYILFCCDGVKWCT-AWEZNQCLSA-N 1 1 253.773 2.751 20 30 CFEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000130308532 377537198 /nfs/dbraw/zinc/53/71/98/377537198.db2.gz CSAAQFYOVXMKJO-IAGOWNOFSA-N 1 1 275.367 2.803 20 30 CFEDMO Cc1nccn1CCC[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000130441115 377559206 /nfs/dbraw/zinc/55/92/06/377559206.db2.gz KZKSLBPDMVRELD-UHFFFAOYSA-N 1 1 286.354 2.724 20 30 CFEDMO Cc1ccc(O)c(C[N@@H+](C)Cc2cccc(C#N)c2)n1 ZINC000130752613 377605643 /nfs/dbraw/zinc/60/56/43/377605643.db2.gz PAWQCBVBPSBSCP-UHFFFAOYSA-N 1 1 267.332 2.599 20 30 CFEDMO C=CCOCCNC1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000679578822 542211205 /nfs/dbraw/zinc/21/12/05/542211205.db2.gz ZPPCQQXHBZQVAY-DOTOQJQBSA-N 1 1 280.456 2.822 20 30 CFEDMO C=CCC(C)(C)CNC(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000432088926 383721781 /nfs/dbraw/zinc/72/17/81/383721781.db2.gz MDGSZALLUIFJTB-CQSZACIVSA-N 1 1 281.444 2.620 20 30 CFEDMO C=CCN(Cc1ccccc1)C(=O)C[N@H+](CC)C1CC1 ZINC000130959577 377638172 /nfs/dbraw/zinc/63/81/72/377638172.db2.gz AYCCFNIDINRXIR-UHFFFAOYSA-N 1 1 272.392 2.686 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)ccc1F ZINC000131727141 377752025 /nfs/dbraw/zinc/75/20/25/377752025.db2.gz DTLUAVARYQOTBO-MRXNPFEDSA-N 1 1 297.333 2.746 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)ccc1F ZINC000131727141 377752031 /nfs/dbraw/zinc/75/20/31/377752031.db2.gz DTLUAVARYQOTBO-MRXNPFEDSA-N 1 1 297.333 2.746 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+](C)[C@H](C)Cc1ccccc1OC ZINC000131793704 377761029 /nfs/dbraw/zinc/76/10/29/377761029.db2.gz BXSINRWWHGEJFJ-GDBMZVCRSA-N 1 1 277.408 2.885 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](CC)CCCC ZINC000132663638 377862949 /nfs/dbraw/zinc/86/29/49/377862949.db2.gz NRKHPSZUKWXMJT-CQSZACIVSA-N 1 1 254.418 2.922 20 30 CFEDMO C[N@@H+](CCC#N)CCCc1nc(-c2cccs2)no1 ZINC000133298319 377919852 /nfs/dbraw/zinc/91/98/52/377919852.db2.gz VLDZNAOVXHQPHJ-UHFFFAOYSA-N 1 1 276.365 2.576 20 30 CFEDMO C[N@H+](CCC#N)CCCc1nc(-c2cccs2)no1 ZINC000133298319 377919854 /nfs/dbraw/zinc/91/98/54/377919854.db2.gz VLDZNAOVXHQPHJ-UHFFFAOYSA-N 1 1 276.365 2.576 20 30 CFEDMO C=CCCC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000133179814 377912202 /nfs/dbraw/zinc/91/22/02/377912202.db2.gz HOCZXACXSYRGMU-UHFFFAOYSA-N 1 1 274.408 2.979 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@@H+](CC)Cc1ccccc1C ZINC000133994388 377973976 /nfs/dbraw/zinc/97/39/76/377973976.db2.gz BJDBHOYIPPIRMX-CQSZACIVSA-N 1 1 260.381 2.508 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000134619977 378037868 /nfs/dbraw/zinc/03/78/68/378037868.db2.gz DEAQCVGXBKTDOO-RYUDHWBXSA-N 1 1 254.374 2.550 20 30 CFEDMO C=C(Cl)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134922766 378063312 /nfs/dbraw/zinc/06/33/12/378063312.db2.gz VMOHTOQKMRRLDG-OCCSQVGLSA-N 1 1 254.805 2.688 20 30 CFEDMO C=CCCC[N@H+](C)CCC(=O)N(C)c1ccccc1 ZINC000135089574 378080874 /nfs/dbraw/zinc/08/08/74/378080874.db2.gz CGFREECENIRSMQ-UHFFFAOYSA-N 1 1 260.381 2.938 20 30 CFEDMO CC[C@H](O)C[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000134490548 378021909 /nfs/dbraw/zinc/02/19/09/378021909.db2.gz IAFVSKGRNOMAMP-INIZCTEOSA-N 1 1 260.381 2.953 20 30 CFEDMO C[N@@H+](CCC1CC1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000135301665 378113595 /nfs/dbraw/zinc/11/35/95/378113595.db2.gz CDXHOTQDSBFCNT-UHFFFAOYSA-N 1 1 282.347 2.840 20 30 CFEDMO CSC[C@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1 ZINC000135459326 378135190 /nfs/dbraw/zinc/13/51/90/378135190.db2.gz BVRUZTBYZFQUDA-CQSZACIVSA-N 1 1 276.405 2.764 20 30 CFEDMO COc1ccc(C[N@H+]2CCSC(C)(C)C2)cc1C#N ZINC000135136681 378088047 /nfs/dbraw/zinc/08/80/47/378088047.db2.gz AIPGJRZRICGHLR-UHFFFAOYSA-N 1 1 276.405 2.894 20 30 CFEDMO COCCC[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000135147960 378091273 /nfs/dbraw/zinc/09/12/73/378091273.db2.gz HQKXNFSZFCTMRG-UHFFFAOYSA-N 1 1 260.381 2.956 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[NH+]1CCN(C2CC2)CC1 ZINC000135152130 378092277 /nfs/dbraw/zinc/09/22/77/378092277.db2.gz OXIRXEMQAUWBRV-UHFFFAOYSA-N 1 1 283.419 2.768 20 30 CFEDMO C[NH+](C)C[C@@H]1CCN(Cc2ccccc2C(C)(C)C#N)C1 ZINC000135227978 378101238 /nfs/dbraw/zinc/10/12/38/378101238.db2.gz BHFVBLQORRZVSV-HNNXBMFYSA-N 1 1 285.435 2.871 20 30 CFEDMO C[N@@H+](CCC1CC1)CC(=O)N(CCC#N)c1ccccc1 ZINC000135275666 378108964 /nfs/dbraw/zinc/10/89/64/378108964.db2.gz FYHIZHZRQBOACA-UHFFFAOYSA-N 1 1 285.391 2.665 20 30 CFEDMO Cc1nccn1CCC[N@H+](C)Cc1cc(C#N)ccc1F ZINC000136310623 378194023 /nfs/dbraw/zinc/19/40/23/378194023.db2.gz FVFHAXIGGJLYMR-UHFFFAOYSA-N 1 1 286.354 2.724 20 30 CFEDMO CC(C)[C@H](CNCc1ccc(C#N)s1)[NH+]1CCCC1 ZINC000135677605 378156966 /nfs/dbraw/zinc/15/69/66/378156966.db2.gz RBECJTSKRGJXLE-HNNXBMFYSA-N 1 1 277.437 2.830 20 30 CFEDMO COC(=O)c1cc(C[NH+]2CCC(C#N)CC2)c(C)s1 ZINC000150849215 378275224 /nfs/dbraw/zinc/27/52/24/378275224.db2.gz OJDXATWYEQEQRF-UHFFFAOYSA-N 1 1 278.377 2.579 20 30 CFEDMO N#Cc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000146155496 378250543 /nfs/dbraw/zinc/25/05/43/378250543.db2.gz DXDSHKSZSBJMOY-GASCZTMLSA-N 1 1 256.349 2.669 20 30 CFEDMO C[C@@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000148078469 378255148 /nfs/dbraw/zinc/25/51/48/378255148.db2.gz CUDDOGQQVBTQJA-AEGPPILISA-N 1 1 283.375 2.617 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1cc(Br)cn1C ZINC000151557060 378336318 /nfs/dbraw/zinc/33/63/18/378336318.db2.gz FABJYGFVSFMWKR-UHFFFAOYSA-N 1 1 257.175 2.796 20 30 CFEDMO Cc1c(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cnn1C(C)C ZINC000329347385 378455821 /nfs/dbraw/zinc/45/58/21/378455821.db2.gz RTDOIISNHSTWLO-LBPRGKRZSA-N 1 1 290.411 2.727 20 30 CFEDMO Cc1cc(NC(=O)[C@H]2CCC(=O)NC2)cn2cc[nH+]c12 ZINC000329408615 378461171 /nfs/dbraw/zinc/46/11/71/378461171.db2.gz ZYVTUKORSQHSCZ-JTQLQIEISA-N 1 1 272.308 2.597 20 30 CFEDMO CCC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000329617571 378471096 /nfs/dbraw/zinc/47/10/96/378471096.db2.gz QELCYWDFEDWCLJ-CHWSQXEVSA-N 1 1 290.411 2.693 20 30 CFEDMO C=CCC(F)(F)c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000328846270 378431957 /nfs/dbraw/zinc/43/19/57/378431957.db2.gz RXLRKCPWXPOZJK-MFKMUULPSA-N 1 1 299.321 2.663 20 30 CFEDMO C=CCC(F)(F)c1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000328846270 378431963 /nfs/dbraw/zinc/43/19/63/378431963.db2.gz RXLRKCPWXPOZJK-MFKMUULPSA-N 1 1 299.321 2.663 20 30 CFEDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@H]2CCCC(=O)N2)C1 ZINC000329682089 378480701 /nfs/dbraw/zinc/48/07/01/378480701.db2.gz YOHPATODFFXCJQ-UPJWGTAASA-N 1 1 281.400 2.571 20 30 CFEDMO Cc1nc(N[C@H]2CCc3[nH+]c[nH]c3C2)c(Cl)cc1C#N ZINC000329742436 378491502 /nfs/dbraw/zinc/49/15/02/378491502.db2.gz PLRVHVMRJNCDFN-JTQLQIEISA-N 1 1 287.754 2.608 20 30 CFEDMO Cc1nc(N[C@H]2CCc3[nH]c[nH+]c3C2)c(Cl)cc1C#N ZINC000329742436 378491510 /nfs/dbraw/zinc/49/15/10/378491510.db2.gz PLRVHVMRJNCDFN-JTQLQIEISA-N 1 1 287.754 2.608 20 30 CFEDMO C[N@H+]1CCC[C@H]1C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000329779199 378495285 /nfs/dbraw/zinc/49/52/85/378495285.db2.gz LSMPEGTVGHAJNV-HNNXBMFYSA-N 1 1 298.390 2.922 20 30 CFEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2csc(=O)[nH]2)C1 ZINC000329897015 378511107 /nfs/dbraw/zinc/51/11/07/378511107.db2.gz CVHXROIZSPRBSQ-NSHDSACASA-N 1 1 297.424 2.521 20 30 CFEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3CCC34CCC4)o2)c1 ZINC000329903224 378511711 /nfs/dbraw/zinc/51/17/11/378511711.db2.gz IEEJQVPMUIODAJ-UHFFFAOYSA-N 1 1 280.331 2.737 20 30 CFEDMO N#Cc1cccc(-c2nnc(C[N@H+]3CCC34CCC4)o2)c1 ZINC000329903224 378511716 /nfs/dbraw/zinc/51/17/16/378511716.db2.gz IEEJQVPMUIODAJ-UHFFFAOYSA-N 1 1 280.331 2.737 20 30 CFEDMO C[N@@H+]1CCC[C@H]1C(=O)Nc1nccn1-c1ccccc1 ZINC000329963592 378518925 /nfs/dbraw/zinc/51/89/25/378518925.db2.gz PZPQODGZMOXFLP-ZDUSSCGKSA-N 1 1 270.336 2.555 20 30 CFEDMO C[N@H+]1CCC[C@H]1C(=O)Nc1nccn1-c1ccccc1 ZINC000329963592 378518928 /nfs/dbraw/zinc/51/89/28/378518928.db2.gz PZPQODGZMOXFLP-ZDUSSCGKSA-N 1 1 270.336 2.555 20 30 CFEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cnc(C)cn1 ZINC000330430050 378553436 /nfs/dbraw/zinc/55/34/36/378553436.db2.gz HWXATAATHSZEPG-CQSZACIVSA-N 1 1 290.411 2.744 20 30 CFEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000330461881 378561898 /nfs/dbraw/zinc/56/18/98/378561898.db2.gz SFIVWVSYJGSEDP-AWEZNQCLSA-N 1 1 257.337 2.838 20 30 CFEDMO N#Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CC(N)=O 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/nfs/dbraw/zinc/51/42/95/382514295.db2.gz QTGSGEHSVJJBSE-HIFRSBDPSA-N 1 1 261.365 2.597 20 30 CFEDMO Cc1cc(C[NH+]2CCN(c3ccc(C#N)cn3)CC2)cs1 ZINC000294575767 382517244 /nfs/dbraw/zinc/51/72/44/382517244.db2.gz PLDVAXUHUBHHSO-UHFFFAOYSA-N 1 1 298.415 2.645 20 30 CFEDMO CC(C)c1ccc(C[N@H+](C)CC(=O)NC2(C#N)CCC2)cc1 ZINC000346864326 382550430 /nfs/dbraw/zinc/55/04/30/382550430.db2.gz HOCGHAYZQZHWHS-UHFFFAOYSA-N 1 1 299.418 2.804 20 30 CFEDMO CC(C)c1ccc(C[N@@H+](C)CC(=O)NC2(C#N)CCC2)cc1 ZINC000346864326 382550434 /nfs/dbraw/zinc/55/04/34/382550434.db2.gz HOCGHAYZQZHWHS-UHFFFAOYSA-N 1 1 299.418 2.804 20 30 CFEDMO CO[C@H]1C[N@H+]([C@@H](C)c2ccc(C#N)cc2)CC[C@H]1C ZINC000189259025 382576747 /nfs/dbraw/zinc/57/67/47/382576747.db2.gz GIQVTILMSNIAHM-WWGRRREGSA-N 1 1 258.365 2.976 20 30 CFEDMO CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353564103 382559859 /nfs/dbraw/zinc/55/98/59/382559859.db2.gz HSOIGCCDLGZIOK-SUMWQHHRSA-N 1 1 271.408 2.864 20 30 CFEDMO CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CCc2ccc(C#N)cc21 ZINC000353564103 382559863 /nfs/dbraw/zinc/55/98/63/382559863.db2.gz HSOIGCCDLGZIOK-SUMWQHHRSA-N 1 1 271.408 2.864 20 30 CFEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@@H+]1CCOC[C@@H](C)C1 ZINC000328665890 382561465 /nfs/dbraw/zinc/56/14/65/382561465.db2.gz CNVQBOJRHCSUSP-KBPBESRZSA-N 1 1 293.411 2.526 20 30 CFEDMO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCOC[C@@H](C)C1 ZINC000328665890 382561471 /nfs/dbraw/zinc/56/14/71/382561471.db2.gz CNVQBOJRHCSUSP-KBPBESRZSA-N 1 1 293.411 2.526 20 30 CFEDMO Cc1nsc(N[C@@H]2CC[N@H+](C3CCCC3)C2)c1C#N ZINC000367286426 382562491 /nfs/dbraw/zinc/56/24/91/382562491.db2.gz KRZBXPFQWQYMPH-LLVKDONJSA-N 1 1 276.409 2.752 20 30 CFEDMO C[C@@H]1Cc2[nH+]cn(C[C@H](O)c3ccc(C#N)cc3)c2C[C@H]1C ZINC000295092060 382573891 /nfs/dbraw/zinc/57/38/91/382573891.db2.gz FLYAPTVTMGBKHC-VFVRVIDISA-N 1 1 295.386 2.859 20 30 CFEDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cn2ccccc2c1C#N ZINC000319286757 382534377 /nfs/dbraw/zinc/53/43/77/382534377.db2.gz HAQOMYZSIMSYHL-GDBMZVCRSA-N 1 1 297.402 2.936 20 30 CFEDMO CCOC(=O)CC(C)(C)CC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000346961278 382587306 /nfs/dbraw/zinc/58/73/06/382587306.db2.gz FVRXABOESPQLRG-CYBMUJFWSA-N 1 1 280.412 2.980 20 30 CFEDMO C=CC(C)(C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000295222511 382590655 /nfs/dbraw/zinc/59/06/55/382590655.db2.gz YGRBVQYYCXTROV-HOCLYGCPSA-N 1 1 286.419 2.978 20 30 CFEDMO C=CC(C)(C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000295222510 382591067 /nfs/dbraw/zinc/59/10/67/382591067.db2.gz YGRBVQYYCXTROV-GOEBONIOSA-N 1 1 286.419 2.978 20 30 CFEDMO CC(C)C[C@H](C)[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000295266540 382603345 /nfs/dbraw/zinc/60/33/45/382603345.db2.gz YRMKRGVEXRLMLY-DZGCQCFKSA-N 1 1 273.380 2.841 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)s2)C[C@H]1C ZINC000353748874 382624004 /nfs/dbraw/zinc/62/40/04/382624004.db2.gz SLUNNFREJKZMLT-CHWSQXEVSA-N 1 1 277.437 2.924 20 30 CFEDMO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000189643201 382631845 /nfs/dbraw/zinc/63/18/45/382631845.db2.gz FBFFUHJVYJZNAN-OAHLLOKOSA-N 1 1 278.783 2.949 20 30 CFEDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000189643201 382631846 /nfs/dbraw/zinc/63/18/46/382631846.db2.gz FBFFUHJVYJZNAN-OAHLLOKOSA-N 1 1 278.783 2.949 20 30 CFEDMO C[NH+](C)CC(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000189270865 382579228 /nfs/dbraw/zinc/57/92/28/382579228.db2.gz GFPFQRMSTVVSKI-UHFFFAOYSA-N 1 1 295.342 2.851 20 30 CFEDMO Cc1cncc(C[N@@H+](C)Cc2ccc(C#N)cc2)c1 ZINC000189760666 382639947 /nfs/dbraw/zinc/63/99/47/382639947.db2.gz BMIHWFARNMGFRV-UHFFFAOYSA-N 1 1 251.333 2.894 20 30 CFEDMO C[C@@H]1CC[C@@H](C[N@H+]2CCCN(c3ccccc3C#N)CC2)O1 ZINC000190380858 382664940 /nfs/dbraw/zinc/66/49/40/382664940.db2.gz ZMKSJEUWYIXGEH-WBVHZDCISA-N 1 1 299.418 2.638 20 30 CFEDMO C[C@H]1CSCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000190472171 382670144 /nfs/dbraw/zinc/67/01/44/382670144.db2.gz VKURSZMUEOSLJR-CYBMUJFWSA-N 1 1 276.405 2.622 20 30 CFEDMO C=CCC1(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CCC1 ZINC000190575202 382673663 /nfs/dbraw/zinc/67/36/63/382673663.db2.gz CCQVYMGPMPVGNL-ZDUSSCGKSA-N 1 1 276.380 2.745 20 30 CFEDMO C=CC[N@@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000191124522 382692294 /nfs/dbraw/zinc/69/22/94/382692294.db2.gz LOEYTADUHKXLEJ-HNNXBMFYSA-N 1 1 290.407 2.765 20 30 CFEDMO C=CC[N@H+](CCOC)[C@@H](C)C(=O)Nc1ccc(C)c(C)c1 ZINC000191124522 382692295 /nfs/dbraw/zinc/69/22/95/382692295.db2.gz LOEYTADUHKXLEJ-HNNXBMFYSA-N 1 1 290.407 2.765 20 30 CFEDMO CC(C)N(C)c1ccc(C[NH+]2CCC(C#N)CC2)cn1 ZINC000191289134 382697786 /nfs/dbraw/zinc/69/77/86/382697786.db2.gz IVDMKFOKKUFXEG-UHFFFAOYSA-N 1 1 272.396 2.662 20 30 CFEDMO C=CCC1(C(=O)NCC[N@H+](C)C2CCCC2)CCC1 ZINC000191291191 382697823 /nfs/dbraw/zinc/69/78/23/382697823.db2.gz KGONAAIOOGYWLY-UHFFFAOYSA-N 1 1 264.413 2.723 20 30 CFEDMO Cn1cc(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)cc1C#N ZINC000191406841 382699913 /nfs/dbraw/zinc/69/99/13/382699913.db2.gz WQOSAAVGWGDCGF-GJZGRUSLSA-N 1 1 275.421 2.757 20 30 CFEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C12CCC2 ZINC000191446942 382700533 /nfs/dbraw/zinc/70/05/33/382700533.db2.gz OATHNKFSMXKQES-HZPDHXFCSA-N 1 1 287.407 2.676 20 30 CFEDMO Cn1cc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)cc1C#N ZINC000191457935 382700659 /nfs/dbraw/zinc/70/06/59/382700659.db2.gz PHVHXLLSDQJXCF-UHFFFAOYSA-N 1 1 293.292 2.946 20 30 CFEDMO Cn1cc(C[N@@H+](C)Cc2cc(F)c(F)c(F)c2)cc1C#N ZINC000191457935 382700660 /nfs/dbraw/zinc/70/06/60/382700660.db2.gz PHVHXLLSDQJXCF-UHFFFAOYSA-N 1 1 293.292 2.946 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](CC1CCC1)C(C)C ZINC000193214115 382717047 /nfs/dbraw/zinc/71/70/47/382717047.db2.gz IMKHIJSSMIGMAA-CQSZACIVSA-N 1 1 279.428 2.505 20 30 CFEDMO C=CCCCCC[N@H+](CCC)[C@H]1CCS(=O)(=O)C1 ZINC000193308313 382718483 /nfs/dbraw/zinc/71/84/83/382718483.db2.gz HWDJSQJYMGEWRO-AWEZNQCLSA-N 1 1 273.442 2.632 20 30 CFEDMO C=CCCCCC[N@@H+]1CCN(c2nccnc2C#N)C[C@H]1C ZINC000193387012 382719372 /nfs/dbraw/zinc/71/93/72/382719372.db2.gz RWLLDYZJDHUXOC-OAHLLOKOSA-N 1 1 299.422 2.605 20 30 CFEDMO N#Cc1ccccc1N1CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC000193736761 382724001 /nfs/dbraw/zinc/72/40/01/382724001.db2.gz XEBAACVJKCFNJD-KRWDZBQOSA-N 1 1 297.402 2.763 20 30 CFEDMO CC(C)n1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)nn1 ZINC000336842980 382732818 /nfs/dbraw/zinc/73/28/18/382732818.db2.gz VVMPMDZMMHFKEL-LBPRGKRZSA-N 1 1 269.352 2.581 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2ccc(C)cc2)C1=O ZINC000337123746 382763580 /nfs/dbraw/zinc/76/35/80/382763580.db2.gz CDSSPJCBIWCABQ-IRXDYDNUSA-N 1 1 284.403 2.919 20 30 CFEDMO C[N@@H+](CCCC1(C#N)CCOCC1)Cc1ccoc1 ZINC000337124275 382763621 /nfs/dbraw/zinc/76/36/21/382763621.db2.gz DBHCXMMNRFFOOF-UHFFFAOYSA-N 1 1 262.353 2.812 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C2CC2)C2CCC(C)CC2)C1=O ZINC000337126065 382763970 /nfs/dbraw/zinc/76/39/70/382763970.db2.gz FPORGSKVOAKELX-XUJLQICISA-N 1 1 276.424 2.816 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+](C)[C@@H](C)c2ccc(C)cc2)C1=O ZINC000337125124 382764309 /nfs/dbraw/zinc/76/43/09/382764309.db2.gz DUXVTGDMLVGAFD-GOEBONIOSA-N 1 1 272.392 2.775 20 30 CFEDMO C[N@@H+](CCCC1(C#N)CCOCC1)CCC(F)(F)F ZINC000337130340 382765099 /nfs/dbraw/zinc/76/50/99/382765099.db2.gz IZVGMWCSYJZXEX-UHFFFAOYSA-N 1 1 278.318 2.971 20 30 CFEDMO N#CC1(CCC[N@@H+](C[C@H]2CCOC2)C2CC2)CCOCC1 ZINC000337143831 382767483 /nfs/dbraw/zinc/76/74/83/382767483.db2.gz ZAMRKYRUJCCPAA-OAHLLOKOSA-N 1 1 292.423 2.588 20 30 CFEDMO CC[N@@H+](CCCC1(C#N)CCOCC1)C[C@@H](C)C#N ZINC000337148084 382768075 /nfs/dbraw/zinc/76/80/75/382768075.db2.gz ZTMCBWTZJBOWJX-AWEZNQCLSA-N 1 1 263.385 2.569 20 30 CFEDMO CC(C)CO[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337166685 382770426 /nfs/dbraw/zinc/77/04/26/382770426.db2.gz ZZHBVFHCGUNXIJ-INIZCTEOSA-N 1 1 294.439 2.834 20 30 CFEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337171704 382771074 /nfs/dbraw/zinc/77/10/74/382771074.db2.gz FZOQIATYHCTLIC-JKSUJKDBSA-N 1 1 294.439 2.712 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCCC[C@@H]2CC)C1=O ZINC000337183387 382772762 /nfs/dbraw/zinc/77/27/62/382772762.db2.gz BTXKGMIFFJOEFO-KKUMJFAQSA-N 1 1 264.413 2.674 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](Cc3ccccc3)C2)C1=O ZINC000337188045 382773171 /nfs/dbraw/zinc/77/31/71/382773171.db2.gz PZIZIOWDMQUAFW-ZWKOTPCHSA-N 1 1 298.430 2.728 20 30 CFEDMO N#CC1(CCC[N@H+]2CCC=C(F)C2)CCOCC1 ZINC000337193287 382774205 /nfs/dbraw/zinc/77/42/05/382774205.db2.gz VFXGZVYPOOVMTR-UHFFFAOYSA-N 1 1 252.333 2.646 20 30 CFEDMO N#CC1(CCC[N@@H+]2CCC=C(F)C2)CCOCC1 ZINC000337193287 382774206 /nfs/dbraw/zinc/77/42/06/382774206.db2.gz VFXGZVYPOOVMTR-UHFFFAOYSA-N 1 1 252.333 2.646 20 30 CFEDMO CCC[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)CCO1 ZINC000337197152 382774568 /nfs/dbraw/zinc/77/45/68/382774568.db2.gz YGFZTYIANIKABK-HNNXBMFYSA-N 1 1 280.412 2.588 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](CC)[C@H]2CCCC[C@@H]2C)C1=O ZINC000337200479 382775383 /nfs/dbraw/zinc/77/53/83/382775383.db2.gz FEHDIBQZWKLXNT-KKUMJFAQSA-N 1 1 264.413 2.674 20 30 CFEDMO N#CC1(CCC[N@H+]2CC[C@H]3CCC[C@@H]32)CCOCC1 ZINC000337207001 382777269 /nfs/dbraw/zinc/77/72/69/382777269.db2.gz NPLVBJCEONTYKJ-CABCVRRESA-N 1 1 262.397 2.961 20 30 CFEDMO CCC[C@]1(CO)CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337229680 382781193 /nfs/dbraw/zinc/78/11/93/382781193.db2.gz HTGLDDWAEXYPOW-QGZVFWFLSA-N 1 1 294.439 2.714 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C)CCCC2CCCC2)C1=O ZINC000337231768 382781716 /nfs/dbraw/zinc/78/17/16/382781716.db2.gz UWBZNJWWHHXHCV-HNNXBMFYSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C)C1=O ZINC000337238016 382782842 /nfs/dbraw/zinc/78/28/42/382782842.db2.gz YYQBEFIDPSHUEK-OAHLLOKOSA-N 1 1 292.810 2.867 20 30 CFEDMO CC[C@H](C)[N@@H+](C)CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000217365801 382786525 /nfs/dbraw/zinc/78/65/25/382786525.db2.gz IZRSKNCCGOYGPQ-NSHDSACASA-N 1 1 276.340 2.609 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](c3ccc(C)cc3)C[C@@H]2C)C1=O ZINC000337254154 382786871 /nfs/dbraw/zinc/78/68/71/382786871.db2.gz SIECSAWHMHEASI-SZMVWBNQSA-N 1 1 298.430 2.960 20 30 CFEDMO CO[C@]1(C)CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337257605 382787533 /nfs/dbraw/zinc/78/75/33/382787533.db2.gz UNOFYHCCRJMUFV-OAHLLOKOSA-N 1 1 280.412 2.588 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000337391439 382814690 /nfs/dbraw/zinc/81/46/90/382814690.db2.gz HMQIXZOTDYIIDW-ZIAGYGMSSA-N 1 1 273.442 2.630 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000493914588 382906502 /nfs/dbraw/zinc/90/65/02/382906502.db2.gz NHZRRCUJARHNEN-QWHCGFSZSA-N 1 1 268.401 2.798 20 30 CFEDMO CO[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000230265380 382858190 /nfs/dbraw/zinc/85/81/90/382858190.db2.gz KXFLPPFIJJUFCV-OAHLLOKOSA-N 1 1 262.328 2.698 20 30 CFEDMO C#CCCC[N@@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000494043379 382909594 /nfs/dbraw/zinc/90/95/94/382909594.db2.gz FQOGMYSIAOWRHP-OAHLLOKOSA-N 1 1 294.439 2.979 20 30 CFEDMO CCC[N@@H+](Cc1ccc(C#N)c(OC)c1)C1CC[NH2+]CC1 ZINC000233074583 382870988 /nfs/dbraw/zinc/87/09/88/382870988.db2.gz LGBJSEZYBNIKFU-UHFFFAOYSA-N 1 1 287.407 2.531 20 30 CFEDMO CCCN(Cc1ccc(C#N)c(OC)c1)C1CC[NH2+]CC1 ZINC000233074583 382870990 /nfs/dbraw/zinc/87/09/90/382870990.db2.gz LGBJSEZYBNIKFU-UHFFFAOYSA-N 1 1 287.407 2.531 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C#N)c2C)[C@H](C)C1 ZINC000337949652 382876838 /nfs/dbraw/zinc/87/68/38/382876838.db2.gz NISNTCQWAWVXBL-DYVFJYSZSA-N 1 1 299.418 2.669 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C#N)c2C)[C@@H](C)C1 ZINC000337949656 382876872 /nfs/dbraw/zinc/87/68/72/382876872.db2.gz NISNTCQWAWVXBL-SUMWQHHRSA-N 1 1 299.418 2.669 20 30 CFEDMO COc1cc(C[NH2+][C@H](C)c2ccncc2F)ccc1C#N ZINC000337949456 382877024 /nfs/dbraw/zinc/87/70/24/382877024.db2.gz LUHWUUDHCNPJKR-LLVKDONJSA-N 1 1 285.322 2.952 20 30 CFEDMO CC[C@H](C)[C@@H]1CN(CCCC#N)CC[N@H+]1CCCC#N ZINC000337981578 382887152 /nfs/dbraw/zinc/88/71/52/382887152.db2.gz SRCAUDKIFOUFOH-HOTGVXAUSA-N 1 1 276.428 2.626 20 30 CFEDMO CC[C@H](C)[C@@H]1C[N@@H+](CCCC#N)CCN1CCCC#N ZINC000337981578 382887158 /nfs/dbraw/zinc/88/71/58/382887158.db2.gz SRCAUDKIFOUFOH-HOTGVXAUSA-N 1 1 276.428 2.626 20 30 CFEDMO C=CCOCCC[N@@H+]1CC(C)(C)O[C@@H]2CCC[C@H]21 ZINC000440940541 382890355 /nfs/dbraw/zinc/89/03/55/382890355.db2.gz HCCHPFGEFSHAHW-ZIAGYGMSSA-N 1 1 253.386 2.611 20 30 CFEDMO Cn1cc(C[N@H+]2CCC[C@H]2c2ccccn2)cc1C#N ZINC000578108028 382892126 /nfs/dbraw/zinc/89/21/26/382892126.db2.gz XRQYUMIEDHENCN-INIZCTEOSA-N 1 1 266.348 2.629 20 30 CFEDMO Cc1c(C#N)cccc1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000338162895 382938566 /nfs/dbraw/zinc/93/85/66/382938566.db2.gz DKYHMVJGZVJSCV-UHFFFAOYSA-N 1 1 299.418 2.861 20 30 CFEDMO C[C@@H](CCN(C)C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000237551366 382964235 /nfs/dbraw/zinc/96/42/35/382964235.db2.gz CXNIDCGAABNCOT-HNNXBMFYSA-N 1 1 289.423 2.799 20 30 CFEDMO N#CCC1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000541020595 382964511 /nfs/dbraw/zinc/96/45/11/382964511.db2.gz JPIPFFMEQYHLTR-UHFFFAOYSA-N 1 1 293.317 2.529 20 30 CFEDMO N#C[C@@H]1CC[C@@H](NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000442774685 382954158 /nfs/dbraw/zinc/95/41/58/382954158.db2.gz FELJLAIGSKTUTI-NVXWUHKLSA-N 1 1 275.440 2.923 20 30 CFEDMO COCCOc1cccc(C[N@H+](CCC#N)C(C)C)c1 ZINC000535795834 382954777 /nfs/dbraw/zinc/95/47/77/382954777.db2.gz MBMHHNQLRCBMTL-UHFFFAOYSA-N 1 1 276.380 2.836 20 30 CFEDMO COCCOc1cccc(C[N@@H+](CCC#N)C(C)C)c1 ZINC000535795834 382954780 /nfs/dbraw/zinc/95/47/80/382954780.db2.gz MBMHHNQLRCBMTL-UHFFFAOYSA-N 1 1 276.380 2.836 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495068337 382957963 /nfs/dbraw/zinc/95/79/63/382957963.db2.gz RIZSSIIUXGZODC-NWDGAFQWSA-N 1 1 288.819 2.974 20 30 CFEDMO CC[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000578840537 382958910 /nfs/dbraw/zinc/95/89/10/382958910.db2.gz HWSAYGPWWFUISO-PBHICJAKSA-N 1 1 271.408 2.941 20 30 CFEDMO CC[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000578840537 382958913 /nfs/dbraw/zinc/95/89/13/382958913.db2.gz 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CC[C@@H](F)C[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000440703022 384126990 /nfs/dbraw/zinc/12/69/90/384126990.db2.gz GIXJIZIENOAFCX-QGZVFWFLSA-N 1 1 289.398 2.814 20 30 CFEDMO CC[C@@H](F)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000440703022 384126995 /nfs/dbraw/zinc/12/69/95/384126995.db2.gz GIXJIZIENOAFCX-QGZVFWFLSA-N 1 1 289.398 2.814 20 30 CFEDMO CC[C@@H](F)CN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000440703022 384127006 /nfs/dbraw/zinc/12/70/06/384127006.db2.gz GIXJIZIENOAFCX-QGZVFWFLSA-N 1 1 289.398 2.814 20 30 CFEDMO CC[C@H](F)C[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000440704340 384128065 /nfs/dbraw/zinc/12/80/65/384128065.db2.gz VBFRBWKOPNPXKH-HNNXBMFYSA-N 1 1 275.371 2.818 20 30 CFEDMO C=CCCC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000637623431 384140197 /nfs/dbraw/zinc/14/01/97/384140197.db2.gz CCLLAKMVDMMVEE-OAHLLOKOSA-N 1 1 293.455 2.857 20 30 CFEDMO C=CCCC(C)(C)CNC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000637623430 384140314 /nfs/dbraw/zinc/14/03/14/384140314.db2.gz CCLLAKMVDMMVEE-HNNXBMFYSA-N 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WGVRYIPRKDHCNC-MRXNPFEDSA-N 1 1 298.390 2.697 20 30 CFEDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000267420064 384386081 /nfs/dbraw/zinc/38/60/81/384386081.db2.gz KEPRIPPGMXJNPZ-OAHLLOKOSA-N 1 1 286.375 2.722 20 30 CFEDMO C#CC[NH+]1CCC(c2nc(Cc3ccccc3F)no2)CC1 ZINC000277864369 384427999 /nfs/dbraw/zinc/42/79/99/384427999.db2.gz JZVYCLUOKLFOHK-UHFFFAOYSA-N 1 1 299.349 2.612 20 30 CFEDMO C=CC[C@H]1[N@@H+](CC(=O)Nc2nncs2)CCCC1(C)C ZINC000277937648 384443963 /nfs/dbraw/zinc/44/39/63/384443963.db2.gz ZEVFLPRNNHEEIE-LLVKDONJSA-N 1 1 294.424 2.543 20 30 CFEDMO C=CC[C@H]1[N@H+](CC(=O)Nc2nncs2)CCCC1(C)C ZINC000277937648 384443969 /nfs/dbraw/zinc/44/39/69/384443969.db2.gz ZEVFLPRNNHEEIE-LLVKDONJSA-N 1 1 294.424 2.543 20 30 CFEDMO CCc1nnc(N[C@@H]2CC[N@H+]3CCCC[C@H]23)c(C#N)c1CC ZINC000268196813 384561000 /nfs/dbraw/zinc/56/10/00/384561000.db2.gz XTZSKRZIURHRIQ-HZPDHXFCSA-N 1 1 299.422 2.512 20 30 CFEDMO C=CCC(CC=C)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000268128459 384539028 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ZINC000378164836 329042059 /nfs/dbraw/zinc/04/20/59/329042059.db2.gz UVXSPHVBTPYXIA-LRDDRELGSA-N 1 1 296.374 2.868 20 30 CFEDMO C#CCC[N@@H+]1CC=C(c2ccc(OC)c(OC)c2)CC1 ZINC000378369756 329047676 /nfs/dbraw/zinc/04/76/76/329047676.db2.gz ZUKHAGFTGMGAQM-UHFFFAOYSA-N 1 1 271.360 2.816 20 30 CFEDMO N#CCSCCC[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000378397242 329048821 /nfs/dbraw/zinc/04/88/21/329048821.db2.gz QELFCCZQVYIBBO-HUUCEWRRSA-N 1 1 282.453 2.772 20 30 CFEDMO C=CC1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000171952985 329082625 /nfs/dbraw/zinc/08/26/25/329082625.db2.gz UZIKJLMXZBQWDA-UHFFFAOYSA-N 1 1 259.309 2.728 20 30 CFEDMO C=C(C)CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584359500 329104036 /nfs/dbraw/zinc/10/40/36/329104036.db2.gz DWJBJJHTTNJJAL-CYBMUJFWSA-N 1 1 266.772 2.635 20 30 CFEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H]1CC ZINC000429270380 329195902 /nfs/dbraw/zinc/19/59/02/329195902.db2.gz FZFLPDKBUDRYBE-HOTGVXAUSA-N 1 1 275.392 2.639 20 30 CFEDMO C=CCOc1cccc(C[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000179396400 329207013 /nfs/dbraw/zinc/20/70/13/329207013.db2.gz VKCZNFZRZKQGOT-AWEZNQCLSA-N 1 1 261.365 2.862 20 30 CFEDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000179965940 329213970 /nfs/dbraw/zinc/21/39/70/329213970.db2.gz WIXDMRJKQWWDPO-CYBMUJFWSA-N 1 1 280.412 2.980 20 30 CFEDMO C#CCCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000179987103 329214355 /nfs/dbraw/zinc/21/43/55/329214355.db2.gz PGVZLYLWAMEHMR-DOTOQJQBSA-N 1 1 288.435 2.655 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000181245033 329227672 /nfs/dbraw/zinc/22/76/72/329227672.db2.gz BBHFFCXJJRCZQN-CYBMUJFWSA-N 1 1 278.371 2.681 20 30 CFEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000181262300 329228443 /nfs/dbraw/zinc/22/84/43/329228443.db2.gz YLSGQVPLRSLAQL-GFCCVEGCSA-N 1 1 292.379 2.539 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000181262300 329228445 /nfs/dbraw/zinc/22/84/45/329228445.db2.gz YLSGQVPLRSLAQL-GFCCVEGCSA-N 1 1 292.379 2.539 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000181272556 329228917 /nfs/dbraw/zinc/22/89/17/329228917.db2.gz ZCHYHNDPMNTBCF-MOKVOYLWSA-N 1 1 252.402 2.578 20 30 CFEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000181285192 329229587 /nfs/dbraw/zinc/22/95/87/329229587.db2.gz SATPXSKSCNNXSG-LBPRGKRZSA-N 1 1 264.344 2.969 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000181285192 329229588 /nfs/dbraw/zinc/22/95/88/329229588.db2.gz SATPXSKSCNNXSG-LBPRGKRZSA-N 1 1 264.344 2.969 20 30 CFEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000181287722 329229706 /nfs/dbraw/zinc/22/97/06/329229706.db2.gz BPMKGRAHBKOPES-UHFFFAOYSA-N 1 1 270.735 2.926 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)Nc1cc(Cl)ccc1F ZINC000181287722 329229708 /nfs/dbraw/zinc/22/97/08/329229708.db2.gz BPMKGRAHBKOPES-UHFFFAOYSA-N 1 1 270.735 2.926 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000181295175 329230146 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CC[N@@H+](CCNc1nc2c(cc1C#N)CCC2)C(C)C ZINC000338718941 521085475 /nfs/dbraw/zinc/08/54/75/521085475.db2.gz AZKZXAXMRWUQTP-UHFFFAOYSA-N 1 1 272.396 2.584 20 30 CFEDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(F)cc2C#N)C1 ZINC000081516302 521493846 /nfs/dbraw/zinc/49/38/46/521493846.db2.gz ZMDZZKGGKZJQKG-AWEZNQCLSA-N 1 1 289.398 2.861 20 30 CFEDMO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245414269 521713341 /nfs/dbraw/zinc/71/33/41/521713341.db2.gz CDSJWBQLWILIMT-WMLDXEAASA-N 1 1 271.408 2.720 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245414269 521713344 /nfs/dbraw/zinc/71/33/44/521713344.db2.gz CDSJWBQLWILIMT-WMLDXEAASA-N 1 1 271.408 2.720 20 30 CFEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245414269 521713345 /nfs/dbraw/zinc/71/33/45/521713345.db2.gz CDSJWBQLWILIMT-WMLDXEAASA-N 1 1 271.408 2.720 20 30 CFEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000245414269 521713347 /nfs/dbraw/zinc/71/33/47/521713347.db2.gz 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COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)cn1 ZINC000156402472 523744982 /nfs/dbraw/zinc/74/49/82/523744982.db2.gz PDNXTUCWSYOMGX-UHFFFAOYSA-N 1 1 295.386 2.910 20 30 CFEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(C)cn1 ZINC000156402472 523744989 /nfs/dbraw/zinc/74/49/89/523744989.db2.gz PDNXTUCWSYOMGX-UHFFFAOYSA-N 1 1 295.386 2.910 20 30 CFEDMO COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000163663081 523950829 /nfs/dbraw/zinc/95/08/29/523950829.db2.gz LEYUSINOYAGLFN-ZDUSSCGKSA-N 1 1 292.766 2.597 20 30 CFEDMO COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000163663081 523950832 /nfs/dbraw/zinc/95/08/32/523950832.db2.gz LEYUSINOYAGLFN-ZDUSSCGKSA-N 1 1 292.766 2.597 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)Cc1cccc(C#N)c1 ZINC000339245421 524098154 /nfs/dbraw/zinc/09/81/54/524098154.db2.gz HXGIOCDEZFBLKF-OAHLLOKOSA-N 1 1 299.418 2.781 20 30 CFEDMO N#Cc1ccc(F)c(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)c1 ZINC000330242504 534784000 /nfs/dbraw/zinc/78/40/00/534784000.db2.gz WLQVCKZEEXEAKS-OAHLLOKOSA-N 1 1 287.338 2.781 20 30 CFEDMO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1)C[NH+]1CCCC1 ZINC000062077865 524495981 /nfs/dbraw/zinc/49/59/81/524495981.db2.gz FMXCQFOLRUQTJS-CABCVRRESA-N 1 1 271.408 2.941 20 30 CFEDMO C[C@H]1C[N@H+](CCOc2ccccc2C#N)CC[C@@H]1C ZINC000161847433 524599754 /nfs/dbraw/zinc/59/97/54/524599754.db2.gz OPKFLJJDARTIRC-KBPBESRZSA-N 1 1 258.365 2.915 20 30 CFEDMO Cc1cccc(NCCOc2ccc(C#N)cc2)[nH+]1 ZINC000157725669 524676919 /nfs/dbraw/zinc/67/69/19/524676919.db2.gz UAAQVVVKUYAVKC-UHFFFAOYSA-N 1 1 253.305 2.753 20 30 CFEDMO Cc1cc(C[N@H+]2CC[C@@H](n3cccn3)C2)ccc1C#N ZINC000334839147 524705419 /nfs/dbraw/zinc/70/54/19/524705419.db2.gz LBTQHXIEYKXBCQ-MRXNPFEDSA-N 1 1 266.348 2.510 20 30 CFEDMO C[C@H]1COCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000336160466 524708021 /nfs/dbraw/zinc/70/80/21/524708021.db2.gz PHWAKMCBYXIFTF-LLVKDONJSA-N 1 1 264.756 2.680 20 30 CFEDMO C[C@H]1COCC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000336160466 524708029 /nfs/dbraw/zinc/70/80/29/524708029.db2.gz PHWAKMCBYXIFTF-LLVKDONJSA-N 1 1 264.756 2.680 20 30 CFEDMO C[C@H]1C[C@H](N(C)Cc2cccc(F)c2C#N)CC[N@H+]1C ZINC000335682145 524902622 /nfs/dbraw/zinc/90/26/22/524902622.db2.gz JAAQLFRWYPSTKX-GXTWGEPZSA-N 1 1 275.371 2.612 20 30 CFEDMO C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1ccc(C#N)cc1 ZINC000361830390 524971684 /nfs/dbraw/zinc/97/16/84/524971684.db2.gz MDXXVDLRRZGQEN-FHLIZLRMSA-N 1 1 299.418 2.860 20 30 CFEDMO C=CC[NH+](CC=C)CC(=O)N[C@@H](C)c1cccs1 ZINC000248376361 534828592 /nfs/dbraw/zinc/82/85/92/534828592.db2.gz CIXKKUNHXKMOAQ-LBPRGKRZSA-N 1 1 264.394 2.599 20 30 CFEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1F)c1cccnc1 ZINC000228571232 525453162 /nfs/dbraw/zinc/45/31/62/525453162.db2.gz CKTOHMBZJQGKJR-NSHDSACASA-N 1 1 255.296 2.943 20 30 CFEDMO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(C#N)c1 ZINC000237197125 525461504 /nfs/dbraw/zinc/46/15/04/525461504.db2.gz CIMDHGFUPPLTKB-UHFFFAOYSA-N 1 1 297.314 2.765 20 30 CFEDMO C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191399850 525526838 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Cc1cc(C#N)cc(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000335001492 526182047 /nfs/dbraw/zinc/18/20/47/526182047.db2.gz DNEZBDWTTPMKDJ-MRXNPFEDSA-N 1 1 298.390 2.569 20 30 CFEDMO C[C@H]1CCCC[N@@H+]1CCNCc1cccc(C#N)c1 ZINC000067672253 526250625 /nfs/dbraw/zinc/25/06/25/526250625.db2.gz ZOZHRSDFIDNABP-AWEZNQCLSA-N 1 1 257.381 2.522 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCNCc1cccc(C#N)c1 ZINC000067672253 526250629 /nfs/dbraw/zinc/25/06/29/526250629.db2.gz ZOZHRSDFIDNABP-AWEZNQCLSA-N 1 1 257.381 2.522 20 30 CFEDMO CC#CCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000458364661 526347629 /nfs/dbraw/zinc/34/76/29/526347629.db2.gz ATJIJYBIUWOLSR-OAHLLOKOSA-N 1 1 293.455 2.552 20 30 CFEDMO C=C(C)C(C)(C)c1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000333459024 526436507 /nfs/dbraw/zinc/43/65/07/526436507.db2.gz GCSVAJCZKARJCR-BLLLJJGKSA-N 1 1 291.395 2.849 20 30 CFEDMO C=C(C)C(C)(C)c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000333459024 526436513 /nfs/dbraw/zinc/43/65/13/526436513.db2.gz 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CC(C)CCC(N)=[NH+]OCC(=O)N([C@H](C)C1CC1)C1CC1 ZINC000177480216 618432715 /nfs/dbraw/zinc/43/27/15/618432715.db2.gz OSHJGXNSYXAJSA-GFCCVEGCSA-N 1 1 295.427 2.501 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1c1ccco1 ZINC001024670402 618438001 /nfs/dbraw/zinc/43/80/01/618438001.db2.gz PIXQJZBBJRBGEP-RRFJBIMHSA-N 1 1 288.391 2.540 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)cc(F)c1 ZINC001024671945 618438119 /nfs/dbraw/zinc/43/81/19/618438119.db2.gz OKSCSPGHXUXOGP-MRXNPFEDSA-N 1 1 290.382 2.904 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001024683319 618440284 /nfs/dbraw/zinc/44/02/84/618440284.db2.gz OXWJHIHMKXCCKT-HUUCEWRRSA-N 1 1 276.424 2.723 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001024683317 618440690 /nfs/dbraw/zinc/44/06/90/618440690.db2.gz OXWJHIHMKXCCKT-CABCVRRESA-N 1 1 276.424 2.723 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC12CCC2 ZINC001024683320 618440825 /nfs/dbraw/zinc/44/08/25/618440825.db2.gz 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618466881 /nfs/dbraw/zinc/46/68/81/618466881.db2.gz XNMAKXXSVCOPSB-JTQLQIEISA-N 1 1 263.772 2.786 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895203765 618466883 /nfs/dbraw/zinc/46/68/83/618466883.db2.gz XNMAKXXSVCOPSB-JTQLQIEISA-N 1 1 263.772 2.786 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](Nc2ccc(C(F)(F)F)nc2)C1 ZINC000895203250 618467348 /nfs/dbraw/zinc/46/73/48/618467348.db2.gz WBGUVVBJPBVYIX-GFCCVEGCSA-N 1 1 283.297 2.610 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001024785840 618469583 /nfs/dbraw/zinc/46/95/83/618469583.db2.gz RIFSGGUTKVCDBS-KRWDZBQOSA-N 1 1 298.430 2.911 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C2CC2)cn1 ZINC001024782536 618469682 /nfs/dbraw/zinc/46/96/82/618469682.db2.gz JNGQHSMJOZWEFG-INIZCTEOSA-N 1 1 299.418 2.729 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2[nH]cc(C(=O)OC)c2C2CC2)C1 ZINC000895207000 618472031 /nfs/dbraw/zinc/47/20/31/618472031.db2.gz ZALGVSWYDFCIIF-LBPRGKRZSA-N 1 1 286.375 2.524 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)cc(C)cc1C ZINC001024791182 618473068 /nfs/dbraw/zinc/47/30/68/618473068.db2.gz WFNQANDAYZMQMK-QGZVFWFLSA-N 1 1 298.430 2.829 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CCC=CCC1 ZINC001024804308 618475125 /nfs/dbraw/zinc/47/51/25/618475125.db2.gz CPSRWBFLGZJCAG-KRWDZBQOSA-N 1 1 288.435 2.727 20 30 CFEDMO C=CCCCN(CC)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000895320740 618531976 /nfs/dbraw/zinc/53/19/76/618531976.db2.gz PGYRLIVUZXINTO-OAHLLOKOSA-N 1 1 281.444 2.716 20 30 CFEDMO C#CC1(O)CC[NH+](Cc2cscc2C(F)(F)F)CC1 ZINC000895385017 618561935 /nfs/dbraw/zinc/56/19/35/618561935.db2.gz XXDMTRHKGJOGSZ-UHFFFAOYSA-N 1 1 289.322 2.727 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895389691 618563311 /nfs/dbraw/zinc/56/33/11/618563311.db2.gz GHBKCSLFMOMGPW-JTQLQIEISA-N 1 1 251.276 2.516 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000895389691 618563313 /nfs/dbraw/zinc/56/33/13/618563313.db2.gz GHBKCSLFMOMGPW-JTQLQIEISA-N 1 1 251.276 2.516 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2c3ccccc3[nH]c2C(=O)OC)C1 ZINC000895391232 618563844 /nfs/dbraw/zinc/56/38/44/618563844.db2.gz VLTNWJRQJSRKJB-ZDUSSCGKSA-N 1 1 296.370 2.800 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[NH2+]CC1(N(C)C)CC1 ZINC000841889542 618565851 /nfs/dbraw/zinc/56/58/51/618565851.db2.gz CFFYQXRNVKCQAE-UHFFFAOYSA-N 1 1 292.810 2.536 20 30 CFEDMO Cc1ccnc(N)c1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000895413442 618572714 /nfs/dbraw/zinc/57/27/14/618572714.db2.gz DCOJYZJLPRYYPM-UHFFFAOYSA-N 1 1 292.386 2.597 20 30 CFEDMO Cc1ccnc(N)c1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000895413442 618572715 /nfs/dbraw/zinc/57/27/15/618572715.db2.gz DCOJYZJLPRYYPM-UHFFFAOYSA-N 1 1 292.386 2.597 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)C[C@H](C)O1 ZINC000895403582 618574710 /nfs/dbraw/zinc/57/47/10/618574710.db2.gz NFAPTVRVXXZFMI-MNOVXSKESA-N 1 1 250.367 2.619 20 30 CFEDMO COc1ccc(CO[NH+]=C(N)CCC(C)C)cc1[N+](=O)[O-] ZINC000066374290 618609642 /nfs/dbraw/zinc/60/96/42/618609642.db2.gz BUWDEMIGPMJICT-UHFFFAOYSA-N 1 1 295.339 2.828 20 30 CFEDMO C#C[C@H](CC)[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000229878526 618647054 /nfs/dbraw/zinc/64/70/54/618647054.db2.gz AQCBFACHPNZXJI-SNVBAGLBSA-N 1 1 296.164 2.679 20 30 CFEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](C)C1 ZINC001017862578 618674955 /nfs/dbraw/zinc/67/49/55/618674955.db2.gz GAUCCJFIJQXPBB-QXSJWSMHSA-N 1 1 276.424 2.674 20 30 CFEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H](C)C1 ZINC001017862578 618674957 /nfs/dbraw/zinc/67/49/57/618674957.db2.gz GAUCCJFIJQXPBB-QXSJWSMHSA-N 1 1 276.424 2.674 20 30 CFEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(C)C ZINC001018123373 618685813 /nfs/dbraw/zinc/68/58/13/618685813.db2.gz MGHFJPOLOHTYAY-QXSJWSMHSA-N 1 1 276.424 2.530 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1C[C@@H]1C(C)C ZINC001018123373 618685817 /nfs/dbraw/zinc/68/58/17/618685817.db2.gz MGHFJPOLOHTYAY-QXSJWSMHSA-N 1 1 276.424 2.530 20 30 CFEDMO C[C@@H]1CSCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000070219852 625285507 /nfs/dbraw/zinc/28/55/07/625285507.db2.gz FNZCQRUYAXAKET-CYBMUJFWSA-N 1 1 276.405 2.764 20 30 CFEDMO C[N@H+]1CC[C@@]2(CCN(c3ccc(C#N)cc3Cl)C2)C1 ZINC000311738269 618721323 /nfs/dbraw/zinc/72/13/23/618721323.db2.gz ZYGPQHIQEHIRIP-OAHLLOKOSA-N 1 1 275.783 2.744 20 30 CFEDMO CCCCC(N)=[NH+]OCc1c(F)cccc1[N+](=O)[O-] ZINC000171611362 618733674 /nfs/dbraw/zinc/73/36/74/618733674.db2.gz MWNXYLRDESHHJG-UHFFFAOYSA-N 1 1 269.276 2.713 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]CCN1CCCCCC1 ZINC000040433246 618780966 /nfs/dbraw/zinc/78/09/66/618780966.db2.gz BDCUGHUOQIOZIR-UHFFFAOYSA-N 1 1 286.419 2.664 20 30 CFEDMO C[C@@H]([NH2+]Cc1nccn1C1CC1)c1cccc(C#N)c1 ZINC000893078616 618823106 /nfs/dbraw/zinc/82/31/06/618823106.db2.gz VLLVWDCHAJKIFJ-GFCCVEGCSA-N 1 1 266.348 2.940 20 30 CFEDMO COc1nccc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1F ZINC000893079031 618823760 /nfs/dbraw/zinc/82/37/60/618823760.db2.gz XUWKHRMMSGIGBN-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C)s2)C1 ZINC001006588732 618848968 /nfs/dbraw/zinc/84/89/68/618848968.db2.gz YQRYTHGMSXXCFA-ZDUSSCGKSA-N 1 1 278.421 2.827 20 30 CFEDMO C#Cc1cncc(-c2noc([C@@H]3CCC[N@@H+]3C(C)C)n2)c1 ZINC000924095366 618852943 /nfs/dbraw/zinc/85/29/43/618852943.db2.gz HCDNRRDJPSNUDW-AWEZNQCLSA-N 1 1 282.347 2.658 20 30 CFEDMO CC(C)C[N@H+]1CCC[C@H](CNCC#Cc2ccccc2)C1 ZINC000893201037 618880469 /nfs/dbraw/zinc/88/04/69/618880469.db2.gz STLHOALPRZJVPG-LJQANCHMSA-N 1 1 284.447 2.996 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001008075505 618912810 /nfs/dbraw/zinc/91/28/10/618912810.db2.gz FMOGDNGBZQSBBD-CYBMUJFWSA-N 1 1 291.395 2.568 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C2CCC2)C1 ZINC001008082978 618913095 /nfs/dbraw/zinc/91/30/95/618913095.db2.gz MGJSKVLUUXRBRC-OAHLLOKOSA-N 1 1 278.440 2.969 20 30 CFEDMO COc1ccc(OCCO[NH+]=C(N)C2CCCC2)cc1 ZINC000194253403 618933738 /nfs/dbraw/zinc/93/37/38/618933738.db2.gz SDMSBGSLLLIJTN-UHFFFAOYSA-N 1 1 278.352 2.553 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(F)c2Cl)C1 ZINC001008655784 618957027 /nfs/dbraw/zinc/95/70/27/618957027.db2.gz ATIHXUXHALWQTP-LLVKDONJSA-N 1 1 296.773 2.859 20 30 CFEDMO C#CCC[N@H+]1CCC[C@@H](c2c[nH]c3ncccc23)C1 ZINC000931371183 618957526 /nfs/dbraw/zinc/95/75/26/618957526.db2.gz VQXGSFSWLFYSQK-CYBMUJFWSA-N 1 1 253.349 2.766 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001009274147 618986685 /nfs/dbraw/zinc/98/66/85/618986685.db2.gz NBXQBOMJBKWIBS-BZUAXINKSA-N 1 1 278.440 2.969 20 30 CFEDMO CCc1ncc(C[N@@H+](C)CCc2cccc(C#N)c2)o1 ZINC000931511115 619016871 /nfs/dbraw/zinc/01/68/71/619016871.db2.gz XXTNCURDUXXLJX-UHFFFAOYSA-N 1 1 269.348 2.783 20 30 CFEDMO Cc1cc(C#N)ccc1N1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000893531009 619039879 /nfs/dbraw/zinc/03/98/79/619039879.db2.gz GIJBXAMRAPENSF-HNNXBMFYSA-N 1 1 280.375 2.984 20 30 CFEDMO CC1([C@H]2CCC[N@@H+](Cc3csc(C#N)c3)C2)OCCO1 ZINC000893536297 619042377 /nfs/dbraw/zinc/04/23/77/619042377.db2.gz TYHBCBXVCRHXDF-ZDUSSCGKSA-N 1 1 292.404 2.595 20 30 CFEDMO C[N@@H+](CCc1ccccn1)Cc1csc(C#N)c1 ZINC000893541323 619049980 /nfs/dbraw/zinc/04/99/80/619049980.db2.gz WIJYVPOQXLLJTQ-UHFFFAOYSA-N 1 1 257.362 2.689 20 30 CFEDMO CCCCCCCC[N@H+]1CC[C@@](CO)(COC)C1 ZINC000832394186 625314298 /nfs/dbraw/zinc/31/42/98/625314298.db2.gz DCSSKNXIEYHWKK-OAHLLOKOSA-N 1 1 257.418 2.678 20 30 CFEDMO C=CC[N@H+](Cc1ccc(OC)c(OC)c1O)C1CC1 ZINC000893560299 619071714 /nfs/dbraw/zinc/07/17/14/619071714.db2.gz ZCJYTQJDXVJIFM-UHFFFAOYSA-N 1 1 263.337 2.560 20 30 CFEDMO C[C@H](c1ccccc1)[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981125308 619116814 /nfs/dbraw/zinc/11/68/14/619116814.db2.gz DBCDUSHFGABEJE-MRXNPFEDSA-N 1 1 296.414 2.695 20 30 CFEDMO Cc1cc(F)c(C#N)c(N[C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000893914526 619242882 /nfs/dbraw/zinc/24/28/82/619242882.db2.gz NXZUJYNPECPDDB-JTQLQIEISA-N 1 1 270.311 2.698 20 30 CFEDMO Cc1cc(F)c(C#N)c(N[C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000893914526 619242884 /nfs/dbraw/zinc/24/28/84/619242884.db2.gz NXZUJYNPECPDDB-JTQLQIEISA-N 1 1 270.311 2.698 20 30 CFEDMO C#Cc1cccc(NC(=S)NCC[N@H+](CC)C(C)C)c1 ZINC000726493536 619249185 /nfs/dbraw/zinc/24/91/85/619249185.db2.gz GGPFNPIUOLFOPA-UHFFFAOYSA-N 1 1 289.448 2.685 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2CCCO[C@@H](C)C2)c1O ZINC000178891835 619270487 /nfs/dbraw/zinc/27/04/87/619270487.db2.gz PERBLSIFJRFESP-ZDUSSCGKSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CCc1cc(C[N@H+]2CCCO[C@@H](C)C2)c(O)c(OC)c1 ZINC000178891812 619270540 /nfs/dbraw/zinc/27/05/40/619270540.db2.gz GHICLQCQWKLQCI-ZDUSSCGKSA-N 1 1 291.391 2.740 20 30 CFEDMO C=C(Br)C[NH2+]Cc1cnc2onc(C)c2c1 ZINC000894241444 619277168 /nfs/dbraw/zinc/27/71/68/619277168.db2.gz IOWWCVIYKIUXJN-UHFFFAOYSA-N 1 1 282.141 2.529 20 30 CFEDMO C#CC[C@@H]1CCCN(c2[nH+]cnc3[nH]cc(CC)c32)C1 ZINC000894350858 619345433 /nfs/dbraw/zinc/34/54/33/619345433.db2.gz YVVUPAXSBQVAQS-GFCCVEGCSA-N 1 1 268.364 2.760 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(CCCCC(C)(C)C#N)CC[C@@H]21 ZINC000879583246 619354965 /nfs/dbraw/zinc/35/49/65/619354965.db2.gz XAGUKHNDRJGZLB-GJZGRUSLSA-N 1 1 263.429 2.732 20 30 CFEDMO C#C[C@H](C)[NH2+]Cc1nc(-c2cccc(OC)c2)cs1 ZINC000894384771 619361895 /nfs/dbraw/zinc/36/18/95/619361895.db2.gz VGIMWHNOFKEXFM-NSHDSACASA-N 1 1 272.373 2.930 20 30 CFEDMO C#C[C@H](NC1CC[NH+](CCC(C)C)CC1)C(C)C ZINC000894387907 619363601 /nfs/dbraw/zinc/36/36/01/619363601.db2.gz XUPAOZNIPMFBAM-INIZCTEOSA-N 1 1 250.430 2.744 20 30 CFEDMO C#C[C@H]([NH2+]C1CCN(CCC(C)C)CC1)C(C)C ZINC000894387907 619363603 /nfs/dbraw/zinc/36/36/03/619363603.db2.gz XUPAOZNIPMFBAM-INIZCTEOSA-N 1 1 250.430 2.744 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC000894469034 619393452 /nfs/dbraw/zinc/39/34/52/619393452.db2.gz IHUZGXCPFBNKKC-NSHDSACASA-N 1 1 277.368 2.707 20 30 CFEDMO CCn1cc(C[NH2+]CCC#N)c(-c2ccccc2)n1 ZINC000894579185 619423367 /nfs/dbraw/zinc/42/33/67/619423367.db2.gz HWOFNBHWRLAOPD-UHFFFAOYSA-N 1 1 254.337 2.573 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC000880232252 619429283 /nfs/dbraw/zinc/42/92/83/619429283.db2.gz JRNYHJPSUOCFMX-NSHDSACASA-N 1 1 250.292 2.879 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC000880232252 619429286 /nfs/dbraw/zinc/42/92/86/619429286.db2.gz JRNYHJPSUOCFMX-NSHDSACASA-N 1 1 250.292 2.879 20 30 CFEDMO C[N@@H+](Cc1csc(C#N)c1)[C@@H](CO)CC(C)(C)C ZINC000894746485 619454688 /nfs/dbraw/zinc/45/46/88/619454688.db2.gz YUHBSXJXWDOAKB-GFCCVEGCSA-N 1 1 266.410 2.849 20 30 CFEDMO Cc1cc(C#N)nc(NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000894769903 619459316 /nfs/dbraw/zinc/45/93/16/619459316.db2.gz XWWBIGPELRDJOJ-HNNXBMFYSA-N 1 1 270.380 2.691 20 30 CFEDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2csc(C#N)c2)C1 ZINC000894795440 619468140 /nfs/dbraw/zinc/46/81/40/619468140.db2.gz ZACAEGBBWANDJS-ZDUSSCGKSA-N 1 1 263.410 2.534 20 30 CFEDMO NC(=[NH+]OCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000049066088 619509225 /nfs/dbraw/zinc/50/92/25/619509225.db2.gz SFJATOCUCRXRQQ-UHFFFAOYSA-N 1 1 277.324 2.964 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C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cccc(C)n3)CCC[C@@H]12 ZINC000989963678 620405920 /nfs/dbraw/zinc/40/59/20/620405920.db2.gz OGXIKDCWJSKQIN-AEFFLSMTSA-N 1 1 299.418 2.693 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cccc(C)n3)CCC[C@H]12 ZINC000989962207 620405948 /nfs/dbraw/zinc/40/59/48/620405948.db2.gz AANCSWGQLIWGCG-FUHWJXTLSA-N 1 1 299.418 2.693 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@]2(NC(=O)C(C)C)CCC[C@H]12 ZINC000989957793 620406798 /nfs/dbraw/zinc/40/67/98/620406798.db2.gz LRRYHPZHFVYPJM-HOCLYGCPSA-N 1 1 264.413 2.722 20 30 CFEDMO C#CC[N@H+]1CC[C@]2(NC(=O)C3CCCCCC3)CCC[C@@H]12 ZINC000990030135 620407926 /nfs/dbraw/zinc/40/79/26/620407926.db2.gz ISKSGHBHLTYLMO-SJLPKXTDSA-N 1 1 288.435 2.703 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)CC3CCC3)CCC[C@@H]12 ZINC000990080745 620408138 /nfs/dbraw/zinc/40/81/38/620408138.db2.gz IACKABMZFARFPZ-NVXWUHKLSA-N 1 1 276.424 2.866 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cnccc3C)CCC[C@H]12 ZINC000990121573 620409691 /nfs/dbraw/zinc/40/96/91/620409691.db2.gz PVINBJUYANGAHR-FUHWJXTLSA-N 1 1 299.418 2.693 20 30 CFEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3ncccc3C)CCC[C@H]12 ZINC000990162884 620410904 /nfs/dbraw/zinc/41/09/04/620410904.db2.gz PSWZBABJBVPTOO-YJBOKZPZSA-N 1 1 299.418 2.693 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3CC(F)(F)C3)CCC[C@@H]12 ZINC000990178371 620411176 /nfs/dbraw/zinc/41/11/76/620411176.db2.gz XLEDTZCCWUIYCC-HIFRSBDPSA-N 1 1 298.377 2.721 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(F)c2C)C1 ZINC001014522629 620413243 /nfs/dbraw/zinc/41/32/43/620413243.db2.gz LQTHPGSNHADKRR-ZDUSSCGKSA-N 1 1 276.355 2.514 20 30 CFEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)C3=CCCCCC3)CCC[C@H]12 ZINC000990414160 620419085 /nfs/dbraw/zinc/41/90/85/620419085.db2.gz DSDVKBBOZGSEFJ-WMZOPIPTSA-N 1 1 286.419 2.623 20 30 CFEDMO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCc1cc(F)ccc1C#N ZINC000923887921 620428185 /nfs/dbraw/zinc/42/81/85/620428185.db2.gz AAGMUIWUBLRWQB-HNNXBMFYSA-N 1 1 290.338 2.613 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCc1cc(F)ccc1C#N ZINC000923887921 620428187 /nfs/dbraw/zinc/42/81/87/620428187.db2.gz AAGMUIWUBLRWQB-HNNXBMFYSA-N 1 1 290.338 2.613 20 30 CFEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCc1cc(F)ccc1C#N ZINC000923887925 620428311 /nfs/dbraw/zinc/42/83/11/620428311.db2.gz AAGMUIWUBLRWQB-OAHLLOKOSA-N 1 1 290.338 2.613 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCc1cc(F)ccc1C#N ZINC000923887925 620428317 /nfs/dbraw/zinc/42/83/17/620428317.db2.gz AAGMUIWUBLRWQB-OAHLLOKOSA-N 1 1 290.338 2.613 20 30 CFEDMO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cn2c(n1)CCCC2 ZINC000924639201 620428949 /nfs/dbraw/zinc/42/89/49/620428949.db2.gz KFIAVQVGMHGHFS-ZDUSSCGKSA-N 1 1 280.375 2.942 20 30 CFEDMO C=CCN(CC=C)[C@@H](C[NH2+][C@H](C)c1cn(C)cn1)C(C)C ZINC000924641482 620430305 /nfs/dbraw/zinc/43/03/05/620430305.db2.gz AXVUQFOLXAMGMH-WBVHZDCISA-N 1 1 290.455 2.769 20 30 CFEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)O[C@H](C#N)C1CCCCC1 ZINC000923890770 620443218 /nfs/dbraw/zinc/44/32/18/620443218.db2.gz UHTOETUUHCNJIJ-HUUCEWRRSA-N 1 1 278.396 2.875 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)O[C@H](C#N)C1CCCCC1 ZINC000923890770 620443220 /nfs/dbraw/zinc/44/32/20/620443220.db2.gz UHTOETUUHCNJIJ-HUUCEWRRSA-N 1 1 278.396 2.875 20 30 CFEDMO C=CCn1ncc2ccc(N[C@H]3C[N@H+](C)C[C@@H]3C)cc21 ZINC000927066177 620448143 /nfs/dbraw/zinc/44/81/43/620448143.db2.gz DFWPZHXZXYHHPT-WFASDCNBSA-N 1 1 270.380 2.584 20 30 CFEDMO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCc1cc(C#N)ccc1F ZINC000923895167 620448852 /nfs/dbraw/zinc/44/88/52/620448852.db2.gz WOMFOLKUFQRZLK-OAHLLOKOSA-N 1 1 290.338 2.613 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCc1cc(C#N)ccc1F ZINC000923895167 620448855 /nfs/dbraw/zinc/44/88/55/620448855.db2.gz WOMFOLKUFQRZLK-OAHLLOKOSA-N 1 1 290.338 2.613 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+]1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000898468758 620467989 /nfs/dbraw/zinc/46/79/89/620467989.db2.gz BCQSIZABCAYLHR-UPJWGTAASA-N 1 1 291.361 2.883 20 30 CFEDMO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000899156824 620526482 /nfs/dbraw/zinc/52/64/82/620526482.db2.gz YVZGNJRFOBCBFM-ZDUSSCGKSA-N 1 1 275.327 2.509 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)Nc1cc(F)cc(C#N)c1 ZINC000899156824 620526484 /nfs/dbraw/zinc/52/64/84/620526484.db2.gz YVZGNJRFOBCBFM-ZDUSSCGKSA-N 1 1 275.327 2.509 20 30 CFEDMO C=CC[C@H]1[N@@H+](Cc2cn(CC)nn2)CCCC1(C)C ZINC000899266983 620537896 /nfs/dbraw/zinc/53/78/96/620537896.db2.gz IALXFCLDNKHERJ-CQSZACIVSA-N 1 1 262.401 2.865 20 30 CFEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H]2C2CCCC2)CCC1 ZINC000899912115 620612395 /nfs/dbraw/zinc/61/23/95/620612395.db2.gz BIESGRCSMPKDON-HUUCEWRRSA-N 1 1 262.397 2.696 20 30 CFEDMO C=CCCCCC[N@H+](C)CN1C[C@H]([C@@H]2CCCO2)CC1=O ZINC000902155848 620988749 /nfs/dbraw/zinc/98/87/49/620988749.db2.gz BYIOAQLNRXNYFD-CVEARBPZSA-N 1 1 294.439 2.650 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CO[NH+]=C(N)CC1CC1 ZINC000902274294 621021221 /nfs/dbraw/zinc/02/12/21/621021221.db2.gz QBXNAJKTEFBPGR-UHFFFAOYSA-N 1 1 257.337 2.974 20 30 CFEDMO CC1(C)C[NH2+]CC[C@@H](NCc2ccc(C#N)c(F)c2)C1 ZINC000902389473 621062159 /nfs/dbraw/zinc/06/21/59/621062159.db2.gz YEMZHMWIULRWIQ-CQSZACIVSA-N 1 1 275.371 2.565 20 30 CFEDMO CCn1cnc(C[NH2+]Cc2ccc(SC)c(C#N)c2)c1 ZINC000902646648 621142794 /nfs/dbraw/zinc/14/27/94/621142794.db2.gz RIRVWMFXMUXYKD-UHFFFAOYSA-N 1 1 286.404 2.786 20 30 CFEDMO Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902804084 621174540 /nfs/dbraw/zinc/17/45/40/621174540.db2.gz MUOVXGZPLYZCIR-NXEZZACHSA-N 1 1 270.336 2.970 20 30 CFEDMO CC[C@@H](NCC[N@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902786556 621175927 /nfs/dbraw/zinc/17/59/27/621175927.db2.gz PKRFJWAMRYNBOH-MRXNPFEDSA-N 1 1 259.397 2.939 20 30 CFEDMO CC[C@@H](NCC[N@@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902786556 621175931 /nfs/dbraw/zinc/17/59/31/621175931.db2.gz PKRFJWAMRYNBOH-MRXNPFEDSA-N 1 1 259.397 2.939 20 30 CFEDMO CC[C@@H]([NH2+]Cc1nccn1C)c1cccc(C#N)c1 ZINC000902789696 621177094 /nfs/dbraw/zinc/17/70/94/621177094.db2.gz MGWWKHFUPZWEDO-CQSZACIVSA-N 1 1 254.337 2.533 20 30 CFEDMO C=CCC[C@@H]([NH2+]CCc1n[nH]c(C)n1)[C@@]1(C)CCCCO1 ZINC000902944910 621207329 /nfs/dbraw/zinc/20/73/29/621207329.db2.gz NSCVDVPQEVLMBC-GDBMZVCRSA-N 1 1 292.427 2.539 20 30 CFEDMO C=CCC[C@@H]([NH2+]CCc1nnc(C)[nH]1)[C@@]1(C)CCCCO1 ZINC000902944910 621207333 /nfs/dbraw/zinc/20/73/33/621207333.db2.gz NSCVDVPQEVLMBC-GDBMZVCRSA-N 1 1 292.427 2.539 20 30 CFEDMO CC[C@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1cccc(C#N)c1 ZINC000902969356 621211654 /nfs/dbraw/zinc/21/16/54/621211654.db2.gz DMAWDCBHMBWKDV-NHYWBVRUSA-N 1 1 296.378 2.682 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(C(F)(F)F)cn1)[C@H]1CCCO1 ZINC000902958902 621214309 /nfs/dbraw/zinc/21/43/09/621214309.db2.gz WSQWUVLGVOAOCL-VHRBIJSZSA-N 1 1 298.308 2.932 20 30 CFEDMO CC[C@@H](NC[C@@H](C)C[NH+](C)C)c1cccc(C#N)c1 ZINC000902998725 621224364 /nfs/dbraw/zinc/22/43/64/621224364.db2.gz HOWWYIZXDPUIJM-CZUORRHYSA-N 1 1 259.397 2.797 20 30 CFEDMO C#Cc1cccc(C[NH2+][C@H](C)c2cn(CCC)nn2)c1 ZINC000903013960 621229857 /nfs/dbraw/zinc/22/98/57/621229857.db2.gz KJGJJKJKYUFRAA-CYBMUJFWSA-N 1 1 268.364 2.520 20 30 CFEDMO Cc1cc2ncc([C@@H](C)[NH2+]CC3(C#N)CCC3)c(C)n2n1 ZINC000903031568 621230249 /nfs/dbraw/zinc/23/02/49/621230249.db2.gz MBIPVSLUOVRWFF-GFCCVEGCSA-N 1 1 283.379 2.691 20 30 CFEDMO C[C@H](O)[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccc1 ZINC000903058114 621236733 /nfs/dbraw/zinc/23/67/33/621236733.db2.gz DSOQEOSFKTWQNA-DCGLDWPTSA-N 1 1 281.359 2.726 20 30 CFEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1cccc(N2CCOC2=O)c1 ZINC000903099809 621252558 /nfs/dbraw/zinc/25/25/58/621252558.db2.gz AUIBBYBPNLQMSO-LBPRGKRZSA-N 1 1 287.363 2.844 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000801955982 621268487 /nfs/dbraw/zinc/26/84/87/621268487.db2.gz YKBIVHOFSGGFRC-VXGBXAGGSA-N 1 1 290.329 2.970 20 30 CFEDMO C[C@@H]([NH3+])C1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000903422637 621378969 /nfs/dbraw/zinc/37/89/69/621378969.db2.gz HCISNBBYOXBHDR-LLVKDONJSA-N 1 1 277.799 2.771 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN(C)CC(C)(C)C[NH3+] ZINC000903425060 621379637 /nfs/dbraw/zinc/37/96/37/621379637.db2.gz QGFBMHCOLUPFQW-UHFFFAOYSA-N 1 1 259.397 2.592 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1CCC[C@@H](C)[C@H]1CN ZINC000903424839 621379917 /nfs/dbraw/zinc/37/99/17/621379917.db2.gz IOBOREFVCVMEGC-SJKOYZFVSA-N 1 1 271.408 2.734 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](C)[C@H]1CN ZINC000903424839 621379920 /nfs/dbraw/zinc/37/99/20/621379920.db2.gz IOBOREFVCVMEGC-SJKOYZFVSA-N 1 1 271.408 2.734 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)C[C@H]1CC[NH3+] ZINC000903498959 621394008 /nfs/dbraw/zinc/39/40/08/621394008.db2.gz OYHRIJHIHRLGCF-BXUZGUMPSA-N 1 1 277.799 2.628 20 30 CFEDMO N#CC1(CCCC[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000903770279 621438026 /nfs/dbraw/zinc/43/80/26/621438026.db2.gz WHXUXVUJDGQNLW-ZBFHGGJFSA-N 1 1 261.413 2.664 20 30 CFEDMO N#CC1(CCCC[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000903770279 621438029 /nfs/dbraw/zinc/43/80/29/621438029.db2.gz WHXUXVUJDGQNLW-ZBFHGGJFSA-N 1 1 261.413 2.664 20 30 CFEDMO N#CC1(CCCC[N@@H+]2CC[C@H]3CC[C@@]32CN)CCC1 ZINC000903863161 621459109 /nfs/dbraw/zinc/45/91/09/621459109.db2.gz JPHZQFFEWDCMFD-GDBMZVCRSA-N 1 1 261.413 2.664 20 30 CFEDMO N#CC1(CCCCN2CC[C@H]3CC[C@@]32C[NH3+])CCC1 ZINC000903863161 621459112 /nfs/dbraw/zinc/45/91/12/621459112.db2.gz JPHZQFFEWDCMFD-GDBMZVCRSA-N 1 1 261.413 2.664 20 30 CFEDMO CC[C@@H]1[C@@H](C(=O)N(O)Cc2ccccc2Cl)CC[N@H+]1C ZINC000904193623 621547397 /nfs/dbraw/zinc/54/73/97/621547397.db2.gz RHTCBAHQZJFABQ-GXTWGEPZSA-N 1 1 296.798 2.788 20 30 CFEDMO C[N@H+]1CC[C@@H](CC(=O)N(O)CCCCc2ccccc2)C1 ZINC000904196276 621547723 /nfs/dbraw/zinc/54/77/23/621547723.db2.gz SFCLTAAXSFXEGD-INIZCTEOSA-N 1 1 290.407 2.569 20 30 CFEDMO CCCCCCN(O)C(=O)CCCn1cc[nH+]c1C ZINC000904206046 621551195 /nfs/dbraw/zinc/55/11/95/621551195.db2.gz ZLUOIHMFXCMEJB-UHFFFAOYSA-N 1 1 267.373 2.770 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(OCC)nc2)no1 ZINC000904566167 621611496 /nfs/dbraw/zinc/61/14/96/621611496.db2.gz QIDOZSNTOJRXDG-GFCCVEGCSA-N 1 1 288.351 2.886 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2c3ccccc3nn2C)no1 ZINC000904708590 621627679 /nfs/dbraw/zinc/62/76/79/621627679.db2.gz QEBVFQQSADNQCE-GFCCVEGCSA-N 1 1 297.362 2.979 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)Nc2cccc(C#N)c2)C1 ZINC000905078799 621690234 /nfs/dbraw/zinc/69/02/34/621690234.db2.gz WBUGJJQPTSLLSI-AWEZNQCLSA-N 1 1 271.364 2.619 20 30 CFEDMO CC(C)[N@@H+](C)CCNc1nc2ccccc2cc1C#N ZINC000071385911 625510426 /nfs/dbraw/zinc/51/04/26/625510426.db2.gz ANNAQQKVGJVMKI-UHFFFAOYSA-N 1 1 268.364 2.859 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000905701854 621824628 /nfs/dbraw/zinc/82/46/28/621824628.db2.gz KBNHLEVKOOJTTD-SWLSCSKDSA-N 1 1 254.337 2.566 20 30 CFEDMO C=CC[C@H]([NH2+]C[C@H]1CCCO[C@@H]1C(C)(C)C)C(=O)OC ZINC000905763793 621855092 /nfs/dbraw/zinc/85/50/92/621855092.db2.gz ZVMHXHOTQIXRKO-RDBSUJKOSA-N 1 1 283.412 2.535 20 30 CFEDMO C=CC[C@@H]([NH2+]C[C@@H]1CCCC(F)(F)C1)C(=O)OC ZINC000905767295 621856720 /nfs/dbraw/zinc/85/67/20/621856720.db2.gz KREYTUVLRLDBHN-GHMZBOCLSA-N 1 1 261.312 2.519 20 30 CFEDMO C=CC[C@H]([NH2+]C[C@@H]1CCCCC(F)(F)C1)C(=O)OC ZINC000905767968 621857893 /nfs/dbraw/zinc/85/78/93/621857893.db2.gz RHMMMCAXJFKQRX-NEPJUHHUSA-N 1 1 275.339 2.909 20 30 CFEDMO CC[C@@](O)(C[N@@H+](C)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000905903591 621893847 /nfs/dbraw/zinc/89/38/47/621893847.db2.gz HYAPWFDAQDYAED-CYBMUJFWSA-N 1 1 286.297 2.693 20 30 CFEDMO CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@@H]1C1CC1 ZINC000905960098 621912620 /nfs/dbraw/zinc/91/26/20/621912620.db2.gz WYLKSWBSAMOOJD-ZIAGYGMSSA-N 1 1 262.397 2.552 20 30 CFEDMO C=CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC000906033359 621920269 /nfs/dbraw/zinc/92/02/69/621920269.db2.gz CPRHEMAUHJGGSE-ZDUSSCGKSA-N 1 1 252.402 2.672 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000906077710 621929497 /nfs/dbraw/zinc/92/94/97/621929497.db2.gz 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ZINC000833037272 625544245 /nfs/dbraw/zinc/54/42/45/625544245.db2.gz USNREAXJSDAJIS-KDOFPFPSSA-N 1 1 296.414 2.839 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cccc(C2CC2)c1 ZINC000833037272 625544254 /nfs/dbraw/zinc/54/42/54/625544254.db2.gz USNREAXJSDAJIS-KDOFPFPSSA-N 1 1 296.414 2.839 20 30 CFEDMO CC1(C)CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)[C@H]1C#N ZINC000907761880 622160372 /nfs/dbraw/zinc/16/03/72/622160372.db2.gz HVYIWZGHJLKKHA-ILXRZTDVSA-N 1 1 289.423 2.544 20 30 CFEDMO C[N@H+]1CCN(C(=O)CCCCCC#N)CC12CCCCC2 ZINC000908572013 622247604 /nfs/dbraw/zinc/24/76/04/622247604.db2.gz QXQUXDVWBSMFNA-UHFFFAOYSA-N 1 1 291.439 2.937 20 30 CFEDMO C[N@@H+]1CCCC[C@@H]1C(=O)OCCCCC1(C#N)CCC1 ZINC000909019851 622301853 /nfs/dbraw/zinc/30/18/53/622301853.db2.gz KBJCZDFPKBPDCZ-CQSZACIVSA-N 1 1 278.396 2.878 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1C(=O)OCCCCC1(C#N)CCC1 ZINC000909019851 622301855 /nfs/dbraw/zinc/30/18/55/622301855.db2.gz KBJCZDFPKBPDCZ-CQSZACIVSA-N 1 1 278.396 2.878 20 30 CFEDMO CC[N@H+]1CCCN(C(=O)c2cc(C)c(C#N)c(C)c2)[C@@H](C)C1 ZINC000910271016 622422311 /nfs/dbraw/zinc/42/23/11/622422311.db2.gz UCMXIWKHOXCYOA-HNNXBMFYSA-N 1 1 299.418 2.731 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)N2CCc3cc(C#N)ccc32)C1 ZINC000910482959 622450809 /nfs/dbraw/zinc/45/08/09/622450809.db2.gz ZUNZNDJVNVVUID-INIZCTEOSA-N 1 1 297.402 2.569 20 30 CFEDMO CC[N@@H+]1[C@H](C)CN(C(=O)/C=C\c2ccccc2C#N)C[C@@H]1C ZINC000912027428 622608648 /nfs/dbraw/zinc/60/86/48/622608648.db2.gz QKQJMRWPYDGRNL-MHSLGGLXSA-N 1 1 297.402 2.513 20 30 CFEDMO C=CC1(CC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CCCCC1 ZINC000820273511 622639976 /nfs/dbraw/zinc/63/99/76/622639976.db2.gz VXMNCIZQQBFYES-CABCVRRESA-N 1 1 276.424 2.676 20 30 CFEDMO Cc1ccc(C(=O)/C=C\c2c[nH+]c(N(C)C)n2C)cc1 ZINC000821021516 622824377 /nfs/dbraw/zinc/82/43/77/622824377.db2.gz GVEKRGVAMUQJDG-KTKRTIGZSA-N 1 1 269.348 2.691 20 30 CFEDMO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000913105515 622834707 /nfs/dbraw/zinc/83/47/07/622834707.db2.gz ZFFZOIWXFWCTNY-DOTOQJQBSA-N 1 1 286.419 2.979 20 30 CFEDMO CCCCC(N)=[NH+]OCC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000151313716 622888158 /nfs/dbraw/zinc/88/81/58/622888158.db2.gz KHPYXDRBTNWTIL-CHWSQXEVSA-N 1 1 283.416 2.503 20 30 CFEDMO CO[C@@H]1CC[C@H]([N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000821369976 622906676 /nfs/dbraw/zinc/90/66/76/622906676.db2.gz ZBUQISDIOUFFOX-DLBZAZTESA-N 1 1 299.418 2.638 20 30 CFEDMO C=CCc1cc(C[N@H+]2C[C@H](C)OC[C@H]2C)c(O)c(OC)c1 ZINC000163954124 622932202 /nfs/dbraw/zinc/93/22/02/622932202.db2.gz FYURKUPDGKSUEE-OLZOCXBDSA-N 1 1 291.391 2.739 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3(F)CCCC3)CCC[C@@H]12 ZINC000991502444 622949289 /nfs/dbraw/zinc/94/92/89/622949289.db2.gz KRHSHAVVJVBDPK-RHSMWYFYSA-N 1 1 294.414 2.958 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H](C)[C@@H]2C)c1O ZINC000164514979 622958513 /nfs/dbraw/zinc/95/85/13/622958513.db2.gz NDHHNSJORWCYMX-STQMWFEESA-N 1 1 291.391 2.739 20 30 CFEDMO Cc1c(O)ccc2c(C[NH+]3CCC(C#N)CC3)cc(=O)oc12 ZINC000057907093 623018606 /nfs/dbraw/zinc/01/86/06/623018606.db2.gz BNSJTWBWZQJRAL-UHFFFAOYSA-N 1 1 298.342 2.543 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)Cc3ccc(C)cc3)CCC[C@@H]12 ZINC000991676119 623079163 /nfs/dbraw/zinc/07/91/63/623079163.db2.gz BQPGYDCRMVSBSH-IEBWSBKVSA-N 1 1 298.430 2.837 20 30 CFEDMO C=C(C)COCC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000168844078 623107523 /nfs/dbraw/zinc/10/75/23/623107523.db2.gz GIJZTUJHWCCPMK-NSHDSACASA-N 1 1 253.317 2.775 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000822520787 623121039 /nfs/dbraw/zinc/12/10/39/623121039.db2.gz PFYSJBDTYBHAQF-UWWQBHOKSA-N 1 1 299.418 2.503 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000822520787 623121042 /nfs/dbraw/zinc/12/10/42/623121042.db2.gz PFYSJBDTYBHAQF-UWWQBHOKSA-N 1 1 299.418 2.503 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000822520787 623121044 /nfs/dbraw/zinc/12/10/44/623121044.db2.gz PFYSJBDTYBHAQF-UWWQBHOKSA-N 1 1 299.418 2.503 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3C(C)(C)C)CCC[C@@H]12 ZINC000991785895 623139957 /nfs/dbraw/zinc/13/99/57/623139957.db2.gz RQTCDJRMPXXPBQ-ATNYBXOESA-N 1 1 290.451 2.968 20 30 CFEDMO Cc1ccc(C)c(Cc2noc([C@H]([NH3+])CCCC#N)n2)c1 ZINC000822700400 623155053 /nfs/dbraw/zinc/15/50/53/623155053.db2.gz DQLPPLSSRMRRHL-CQSZACIVSA-N 1 1 284.363 2.971 20 30 CFEDMO Cc1cc(F)cc(-c2noc([C@@H]([NH3+])CCCC#N)n2)c1 ZINC000822711416 623157681 /nfs/dbraw/zinc/15/76/81/623157681.db2.gz GJHHNRBGXPGHFB-LBPRGKRZSA-N 1 1 274.299 2.878 20 30 CFEDMO COCc1cccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)c1 ZINC000822740318 623165071 /nfs/dbraw/zinc/16/50/71/623165071.db2.gz OUQUJUODVFBINE-ZDUSSCGKSA-N 1 1 286.335 2.577 20 30 CFEDMO C=CC1(CC(=O)N[C@H]2CC[N@H+](CC)C2)CCCCC1 ZINC000822787250 623174419 /nfs/dbraw/zinc/17/44/19/623174419.db2.gz FWTLHPTWCZTWGX-AWEZNQCLSA-N 1 1 264.413 2.723 20 30 CFEDMO C[C@H](c1noc([C@@H]([NH3+])CCCC#N)n1)C(C)(C)C ZINC000822827882 623182791 /nfs/dbraw/zinc/18/27/91/623182791.db2.gz SPODANXIATUMNK-ZJUUUORDSA-N 1 1 250.346 2.913 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cncc(CC)c3)CCC[C@H]12 ZINC000991858487 623186227 /nfs/dbraw/zinc/18/62/27/623186227.db2.gz GODCWUCGYWXSMT-FUHWJXTLSA-N 1 1 299.418 2.557 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2nccs2)cc1 ZINC000171563180 623229434 /nfs/dbraw/zinc/22/94/34/623229434.db2.gz VVOAJLPVEKFDKC-LLVKDONJSA-N 1 1 273.361 2.724 20 30 CFEDMO CSc1cccnc1-c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000823094685 623234370 /nfs/dbraw/zinc/23/43/70/623234370.db2.gz TYDPZPSCQKAMHU-SECBINFHSA-N 1 1 289.364 2.547 20 30 CFEDMO CC[NH+](CC)[C@H](C(=O)OCCCC#N)c1ccccc1 ZINC000171810201 623243822 /nfs/dbraw/zinc/24/38/22/623243822.db2.gz GURKXSAPHVZNCB-HNNXBMFYSA-N 1 1 274.364 2.916 20 30 CFEDMO C=C(C)COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000171881961 623246801 /nfs/dbraw/zinc/24/68/01/623246801.db2.gz GSDYGSHINNFMPM-OAHLLOKOSA-N 1 1 259.349 2.770 20 30 CFEDMO C=C(C)COC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000171881961 623246807 /nfs/dbraw/zinc/24/68/07/623246807.db2.gz GSDYGSHINNFMPM-OAHLLOKOSA-N 1 1 259.349 2.770 20 30 CFEDMO Cc1nnc(-c2cccc(C#N)c2)n1C[N@H+](C)C1CCCC1 ZINC000172606912 623294996 /nfs/dbraw/zinc/29/49/96/623294996.db2.gz NHXKMRKKUVQWAM-UHFFFAOYSA-N 1 1 295.390 2.957 20 30 CFEDMO C[N@@H+](CCC(C)(C)C#N)C[C@@](C)(O)c1ccccc1 ZINC000823605434 623359102 /nfs/dbraw/zinc/35/91/02/623359102.db2.gz KMQRNHMRKPVMSV-MRXNPFEDSA-N 1 1 260.381 2.766 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000823617810 623363323 /nfs/dbraw/zinc/36/33/23/623363323.db2.gz NJYLNLKEJQWCMO-DOMZBBRYSA-N 1 1 284.359 2.647 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)c(C)cn3)CCC[C@@H]12 ZINC000991977902 623435360 /nfs/dbraw/zinc/43/53/60/623435360.db2.gz VTBABBUFSULYSG-AEFFLSMTSA-N 1 1 299.418 2.611 20 30 CFEDMO C#Cc1ccc(C(=O)N[C@@]23CCC[C@H]2[N@@H+](C(C)C)CC3)cc1 ZINC000992097768 623454543 /nfs/dbraw/zinc/45/45/43/623454543.db2.gz DNKQCEZMQAXAHT-IEBWSBKVSA-N 1 1 296.414 2.803 20 30 CFEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCCC3(C)C)CCC[C@H]12 ZINC000992116956 623458814 /nfs/dbraw/zinc/45/88/14/623458814.db2.gz HZPJWQIITAGYRE-RLFYNMQTSA-N 1 1 288.435 2.559 20 30 CFEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cocc3C)CCC[C@@H]12 ZINC000992120184 623460217 /nfs/dbraw/zinc/46/02/17/623460217.db2.gz PYBJMXLWQQOYRF-WBVHZDCISA-N 1 1 288.391 2.891 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cc[nH]c3C3CC3)CCC[C@H]12 ZINC000992128099 623463044 /nfs/dbraw/zinc/46/30/44/623463044.db2.gz WOIAHKFHXQPFIP-MAUKXSAKSA-N 1 1 299.418 2.805 20 30 CFEDMO CC(C)C#CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000824267857 623479812 /nfs/dbraw/zinc/47/98/12/623479812.db2.gz JHEAXMZOCNIOCN-SFHVURJKSA-N 1 1 298.430 2.817 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@@H]12 ZINC000992239921 623496469 /nfs/dbraw/zinc/49/64/69/623496469.db2.gz KPTPELAZSUVMAU-ANQUJSFKSA-N 1 1 276.424 2.722 20 30 CFEDMO COC[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000929636444 623497976 /nfs/dbraw/zinc/49/79/76/623497976.db2.gz WAVGSZXXMSHYGU-YMAMQOFZSA-N 1 1 250.386 2.675 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)Cc3ccco3)CCC[C@@H]12 ZINC000992357020 623524027 /nfs/dbraw/zinc/52/40/27/623524027.db2.gz CRAYJWVSDQGGCN-NVXWUHKLSA-N 1 1 288.391 2.511 20 30 CFEDMO COC(=O)C1(C#N)CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000824871052 623582023 /nfs/dbraw/zinc/58/20/23/623582023.db2.gz AHISPUZFTKMIGZ-UHFFFAOYSA-N 1 1 298.342 2.712 20 30 CFEDMO C#CC[N@H+]1CC[C@@]2(NC(=O)c3ccc(C)cc3C)CCC[C@@H]12 ZINC000992487789 623614804 /nfs/dbraw/zinc/61/48/04/623614804.db2.gz ISDIXJZLDPCJMG-MJGOQNOKSA-N 1 1 296.414 2.663 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)C2CC3(C2)CCCCC3)CC1 ZINC000825077810 623623532 /nfs/dbraw/zinc/62/35/32/623623532.db2.gz IPROXUJZNOBDEJ-UHFFFAOYSA-N 1 1 288.435 2.514 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000829809794 623665565 /nfs/dbraw/zinc/66/55/65/623665565.db2.gz HUCYMTLHWJVEOY-CQSZACIVSA-N 1 1 265.397 2.844 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](COC)CC2)cc1 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CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(Br)ccc1OC ZINC000769975951 627494201 /nfs/dbraw/zinc/49/42/01/627494201.db2.gz PWXTYVDYZDYKFC-JTQLQIEISA-N 1 1 282.181 2.911 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1cc(Br)ccc1OC ZINC000769975951 627494202 /nfs/dbraw/zinc/49/42/02/627494202.db2.gz PWXTYVDYZDYKFC-JTQLQIEISA-N 1 1 282.181 2.911 20 30 CFEDMO C=C(Cl)C[N@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000770044668 627498383 /nfs/dbraw/zinc/49/83/83/627498383.db2.gz RQSCQYIFVGWLGL-AWEZNQCLSA-N 1 1 283.799 2.889 20 30 CFEDMO COC(C)(C)C[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000770316864 627512990 /nfs/dbraw/zinc/51/29/90/627512990.db2.gz FVXLINXELZPFHJ-ZDUSSCGKSA-N 1 1 276.380 2.834 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000770335798 627514248 /nfs/dbraw/zinc/51/42/48/627514248.db2.gz DJYYKTYMTRXICD-SJORKVTESA-N 1 1 296.414 2.623 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC000770335798 627514253 /nfs/dbraw/zinc/51/42/53/627514253.db2.gz 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/nfs/dbraw/zinc/58/67/42/634586742.db2.gz CXUQNCRFMUMILA-DVQDXYAYSA-N 1 1 255.361 2.814 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2cc(C#N)ccc2F)c(F)c1 ZINC000772922460 627758935 /nfs/dbraw/zinc/75/89/35/627758935.db2.gz ZZCISGUPJONBOV-UHFFFAOYSA-N 1 1 283.281 2.998 20 30 CFEDMO O=[N+]([O-])c1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCC2 ZINC000773079653 627779933 /nfs/dbraw/zinc/77/99/33/627779933.db2.gz OLIJCNFEZIJGQG-UHFFFAOYSA-N 1 1 282.303 2.564 20 30 CFEDMO CCC(=NNc1cc[nH+]cc1)c1ccc(C#N)cc1 ZINC000773080209 627780432 /nfs/dbraw/zinc/78/04/32/627780432.db2.gz QKLAJBILVCGNSN-UHFFFAOYSA-N 1 1 250.305 2.601 20 30 CFEDMO C[N@@H+]1CCCC[C@@H]1C(=O)OCC#Cc1cccc(Cl)c1 ZINC000773170340 627791605 /nfs/dbraw/zinc/79/16/05/627791605.db2.gz KYNSRSGRSFVBBL-OAHLLOKOSA-N 1 1 291.778 2.719 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1C(=O)OCC#Cc1cccc(Cl)c1 ZINC000773170340 627791608 /nfs/dbraw/zinc/79/16/08/627791608.db2.gz KYNSRSGRSFVBBL-OAHLLOKOSA-N 1 1 291.778 2.719 20 30 CFEDMO C=C(CC)CO[NH+]=C(N)[C@H](C)CN(C)C(=O)OC(C)(C)C 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C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@@H](C)CC(C)(C)C ZINC000774063865 627883459 /nfs/dbraw/zinc/88/34/59/627883459.db2.gz TVMUOBHBVIRXMZ-UONOGXRCSA-N 1 1 265.397 2.700 20 30 CFEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000774609931 627941661 /nfs/dbraw/zinc/94/16/61/627941661.db2.gz ZLIXGXMSKYYYPH-KBPBESRZSA-N 1 1 253.386 2.816 20 30 CFEDMO C=CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000774887193 627977245 /nfs/dbraw/zinc/97/72/45/627977245.db2.gz PJMDWYFUJPRMCK-UHFFFAOYSA-N 1 1 292.335 2.707 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1OC ZINC000775184070 627998705 /nfs/dbraw/zinc/99/87/05/627998705.db2.gz UWDTXKRHYMORHN-SNVBAGLBSA-N 1 1 282.181 2.911 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cccc(Br)c1OC ZINC000775184070 627998707 /nfs/dbraw/zinc/99/87/07/627998707.db2.gz UWDTXKRHYMORHN-SNVBAGLBSA-N 1 1 282.181 2.911 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cccc(Cl)c1F)[C@@H]1CCCO1 ZINC000775340278 628011480 /nfs/dbraw/zinc/01/14/80/628011480.db2.gz GMEAEFCKCOTCRS-STQMWFEESA-N 1 1 267.731 2.750 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000775341222 628012359 /nfs/dbraw/zinc/01/23/59/628012359.db2.gz KSUUBDLMYJZRLG-OCCSQVGLSA-N 1 1 294.738 2.519 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccccc1Br)[C@H]1CCCO1 ZINC000775344817 628013167 /nfs/dbraw/zinc/01/31/67/628013167.db2.gz KEHUGRHQRXERLY-UONOGXRCSA-N 1 1 294.192 2.720 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc2ccccc2o1)[C@@H]1CCCO1 ZINC000775348102 628014059 /nfs/dbraw/zinc/01/40/59/628014059.db2.gz ITBORQZPABWOAB-ZBFHGGJFSA-N 1 1 255.317 2.703 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cnc(CC(C)C)s1)[C@H]1CCCO1 ZINC000775352601 628014993 /nfs/dbraw/zinc/01/49/93/628014993.db2.gz XWEFROOQYKPZOK-ZIAGYGMSSA-N 1 1 278.421 2.612 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cnc(CC(C)C)s1)[C@H]1CCCO1 ZINC000775352600 628015139 /nfs/dbraw/zinc/01/51/39/628015139.db2.gz XWEFROOQYKPZOK-UONOGXRCSA-N 1 1 278.421 2.612 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)[C@@H]1CCCO1 ZINC000775571738 628039628 /nfs/dbraw/zinc/03/96/28/628039628.db2.gz KTBKVGCHWILMSZ-IIMNLJJBSA-N 1 1 281.302 2.502 20 30 CFEDMO C#C[C@H]([NH2+][C@@H]1CCc2c1c(F)ccc2F)[C@@H]1CCCO1 ZINC000775572907 628040756 /nfs/dbraw/zinc/04/07/56/628040756.db2.gz UXMMABCJQKTIHV-ZNMIVQPWSA-N 1 1 277.314 2.723 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1cc(F)c(F)c(F)c1)[C@@H]1CCCO1 ZINC000775573022 628040822 /nfs/dbraw/zinc/04/08/22/628040822.db2.gz FLYZUMNWTIABTA-HERUPUMHSA-N 1 1 283.293 2.935 20 30 CFEDMO COC(=O)c1ccccc1CC[N@@H+](CCC#N)CC(C)C ZINC000775605169 628045506 /nfs/dbraw/zinc/04/55/06/628045506.db2.gz XURKLHBCGRFXJT-UHFFFAOYSA-N 1 1 288.391 2.887 20 30 CFEDMO COc1ccc(O)c(C[N@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000775731793 628060093 /nfs/dbraw/zinc/06/00/93/628060093.db2.gz KUVFJRMLRGSISH-LLVKDONJSA-N 1 1 260.337 2.525 20 30 CFEDMO COc1ccc(O)c(C[N@@H+](C[C@H](C)C#N)C2CC2)c1 ZINC000775731793 628060098 /nfs/dbraw/zinc/06/00/98/628060098.db2.gz KUVFJRMLRGSISH-LLVKDONJSA-N 1 1 260.337 2.525 20 30 CFEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCC[C@H](C)C1 ZINC000775734597 628060254 /nfs/dbraw/zinc/06/02/54/628060254.db2.gz ZOOXIQRWHZHHIA-XJKSGUPXSA-N 1 1 286.375 2.894 20 30 CFEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCC[C@H](C)C1 ZINC000775734597 628060256 /nfs/dbraw/zinc/06/02/56/628060256.db2.gz ZOOXIQRWHZHHIA-XJKSGUPXSA-N 1 1 286.375 2.894 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(-c2ccccc2)no1)[C@@H]1CCCO1 ZINC000775792490 628068956 /nfs/dbraw/zinc/06/89/56/628068956.db2.gz HIHBBTHJDSZWHI-WBVHZDCISA-N 1 1 282.343 2.612 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000775792990 628069120 /nfs/dbraw/zinc/06/91/20/628069120.db2.gz BZIDSCLNOXLCKN-JSGCOSHPSA-N 1 1 294.738 2.519 20 30 CFEDMO C#CC[N@@H+](CC)Cc1cccc(Br)c1OC ZINC000775912161 628083337 /nfs/dbraw/zinc/08/33/37/628083337.db2.gz YBXBYFAQNGRWBW-UHFFFAOYSA-N 1 1 282.181 2.913 20 30 CFEDMO C#CC[N@H+](CC)Cc1cccc(Br)c1OC ZINC000775912161 628083341 /nfs/dbraw/zinc/08/33/41/628083341.db2.gz YBXBYFAQNGRWBW-UHFFFAOYSA-N 1 1 282.181 2.913 20 30 CFEDMO C[C@@H](CC#N)NN=C1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000776187424 628113519 /nfs/dbraw/zinc/11/35/19/628113519.db2.gz HKVHSWQWHKJUKP-GJZGRUSLSA-N 1 1 284.407 2.776 20 30 CFEDMO C[C@@H](CC#N)NN=C1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000776187424 628113531 /nfs/dbraw/zinc/11/35/31/628113531.db2.gz HKVHSWQWHKJUKP-GJZGRUSLSA-N 1 1 284.407 2.776 20 30 CFEDMO C=CCCC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585307 628161629 /nfs/dbraw/zinc/16/16/29/628161629.db2.gz UUBNSENPMVAKPV-CQSZACIVSA-N 1 1 264.325 2.526 20 30 CFEDMO C#CCC[NH+]1CCN([C@@H](C)c2ccccc2C)CC1 ZINC000776593778 628162794 /nfs/dbraw/zinc/16/27/94/628162794.db2.gz ZPUNAPCAUZZGPB-INIZCTEOSA-N 1 1 256.393 2.697 20 30 CFEDMO C#CC[N@H+](CCO[C@H]1CC1(F)F)Cc1ccccc1 ZINC000852045376 634635425 /nfs/dbraw/zinc/63/54/25/634635425.db2.gz LKLINFAGXBBREE-AWEZNQCLSA-N 1 1 265.303 2.546 20 30 CFEDMO C=CCC[N@@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000778292675 628295421 /nfs/dbraw/zinc/29/54/21/628295421.db2.gz SZYJZIZYIUAHCK-BETUJISGSA-N 1 1 268.401 2.892 20 30 CFEDMO C=CC[N@H+](CN1CC2(CCCC2)OC1=O)C(C)C ZINC000778569164 628317035 /nfs/dbraw/zinc/31/70/35/628317035.db2.gz XXPLVCDHHLFOAU-UHFFFAOYSA-N 1 1 252.358 2.605 20 30 CFEDMO C=CC[N@@H+](CN1CC2(CCCC2)OC1=O)C(C)C ZINC000778569164 628317038 /nfs/dbraw/zinc/31/70/38/628317038.db2.gz XXPLVCDHHLFOAU-UHFFFAOYSA-N 1 1 252.358 2.605 20 30 CFEDMO C=C(C)C[N@@H+](CC)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000779473637 628384846 /nfs/dbraw/zinc/38/48/46/628384846.db2.gz HSNFMNIDUKOOSH-UHFFFAOYSA-N 1 1 268.401 2.751 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1csc(CC(=O)OC(C)C)n1 ZINC000852099336 634652873 /nfs/dbraw/zinc/65/28/73/634652873.db2.gz KAOMLVLVPFZHGQ-HNNXBMFYSA-N 1 1 294.420 2.529 20 30 CFEDMO Brc1cc(C=NNc2cc[nH+]cc2)cs1 ZINC000779806791 628408160 /nfs/dbraw/zinc/40/81/60/628408160.db2.gz HQOFVJJKQORQPT-UHFFFAOYSA-N 1 1 282.166 2.774 20 30 CFEDMO CC(C)Oc1ccccc1C=NNc1cc[nH+]cc1 ZINC000779808985 628408577 /nfs/dbraw/zinc/40/85/77/628408577.db2.gz CJXDNMIQOTXINT-UHFFFAOYSA-N 1 1 255.321 2.737 20 30 CFEDMO C(=[NH+][N-]c1cc[nH+]cc1)c1ccccc1N1CCCCC1 ZINC000779808568 628408843 /nfs/dbraw/zinc/40/88/43/628408843.db2.gz CNMVTDOYGKFHIG-UHFFFAOYSA-N 1 1 280.375 2.940 20 30 CFEDMO Cc1ccc(-c2nc(C=NNc3cc[nH+]cc3)co2)cc1 ZINC000779810145 628409157 /nfs/dbraw/zinc/40/91/57/628409157.db2.gz WSYHYUPAKIWPAG-UHFFFAOYSA-N 1 1 278.315 2.913 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1cccc(OC(F)F)c1 ZINC000779809839 628409253 /nfs/dbraw/zinc/40/92/53/628409253.db2.gz VUYPKERRZPSWEL-UHFFFAOYSA-N 1 1 277.274 2.941 20 30 CFEDMO CC(C)(C)c1ncc(C=NNc2cc[nH+]cc2)s1 ZINC000779809582 628409275 /nfs/dbraw/zinc/40/92/75/628409275.db2.gz ZEERKHIREFXMAL-UHFFFAOYSA-N 1 1 260.366 2.704 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1nc2c(s1)CCCC2 ZINC000779810039 628409360 /nfs/dbraw/zinc/40/93/60/628409360.db2.gz YEXORNSBJPCHBP-UHFFFAOYSA-N 1 1 272.377 2.675 20 30 CFEDMO Fc1cc(C=NNc2cc[nH+]cc2)ccc1Br ZINC000779811272 628409797 /nfs/dbraw/zinc/40/97/97/628409797.db2.gz OGOFOIZQMYNAPM-UHFFFAOYSA-N 1 1 294.127 2.851 20 30 CFEDMO N#CCCCOc1cccc(C=NNc2cc[nH+]cc2)c1 ZINC000779812125 628409896 /nfs/dbraw/zinc/40/98/96/628409896.db2.gz ZFLMTPDTJPYCGI-UHFFFAOYSA-N 1 1 280.331 2.632 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1nccn1Cc1ccccc1 ZINC000852100728 634654961 /nfs/dbraw/zinc/65/49/61/634654961.db2.gz ZZVGRHZBMLFTKA-KRWDZBQOSA-N 1 1 267.376 2.823 20 30 CFEDMO CC1(C#N)CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000780333661 628456040 /nfs/dbraw/zinc/45/60/40/628456040.db2.gz QELABINTUKLXJM-UHFFFAOYSA-N 1 1 272.377 2.817 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000852101659 634656810 /nfs/dbraw/zinc/65/68/10/634656810.db2.gz GDZLDDBNTWDRGV-AWEZNQCLSA-N 1 1 273.292 2.628 20 30 CFEDMO CC(C)c1ncc(C[NH2+]Cc2ccc(C#N)cn2)s1 ZINC000780554038 628474716 /nfs/dbraw/zinc/47/47/16/628474716.db2.gz IETLMJJCORLURO-UHFFFAOYSA-N 1 1 272.377 2.823 20 30 CFEDMO C#CCCCCCC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000780631517 628483259 /nfs/dbraw/zinc/48/32/59/628483259.db2.gz BFGQFTZYKGRGJT-MRXNPFEDSA-N 1 1 278.440 2.664 20 30 CFEDMO C=C(C)CNC(=S)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781113491 628522520 /nfs/dbraw/zinc/52/25/20/628522520.db2.gz DJBZZZPDJYLSPN-UONOGXRCSA-N 1 1 295.496 2.680 20 30 CFEDMO C#CC[N@H+](Cc1ccc(F)cc1)Cc1ccnc(N(C)C)c1 ZINC000782176635 628609877 /nfs/dbraw/zinc/60/98/77/628609877.db2.gz XDKLUXDAIHEZCC-UHFFFAOYSA-N 1 1 297.377 2.922 20 30 CFEDMO C#CC[N@@H+](Cc1ccc(F)cc1)Cc1ccnc(N(C)C)c1 ZINC000782176635 628609880 /nfs/dbraw/zinc/60/98/80/628609880.db2.gz XDKLUXDAIHEZCC-UHFFFAOYSA-N 1 1 297.377 2.922 20 30 CFEDMO C=CC[N@H+](Cc1nc(N)c2ccccc2n1)C(C)C ZINC000782908077 628663064 /nfs/dbraw/zinc/66/30/64/628663064.db2.gz PILPVQIYCRBXEC-UHFFFAOYSA-N 1 1 256.353 2.608 20 30 CFEDMO C=CC[N@@H+](Cc1nc(N)c2ccccc2n1)C(C)C ZINC000782908077 628663067 /nfs/dbraw/zinc/66/30/67/628663067.db2.gz PILPVQIYCRBXEC-UHFFFAOYSA-N 1 1 256.353 2.608 20 30 CFEDMO C=CCCCOC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810604397 628683880 /nfs/dbraw/zinc/68/38/80/628683880.db2.gz QZEHZJDNSMWIHN-AWEZNQCLSA-N 1 1 257.349 2.708 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1O ZINC000783300095 628698736 /nfs/dbraw/zinc/69/87/36/628698736.db2.gz IDQSUSYDHMEBSA-SNVBAGLBSA-N 1 1 271.295 2.649 20 30 CFEDMO CCCCCCO[NH+]=C(N)c1ccc(OC)cc1 ZINC000783552469 628719519 /nfs/dbraw/zinc/71/95/19/628719519.db2.gz GIGGBUQJEHPDJD-UHFFFAOYSA-N 1 1 250.342 2.912 20 30 CFEDMO C=CC[N@H+](CN1C[C@H](c2ccccc2F)CC1=O)C(C)C ZINC000783971781 628758611 /nfs/dbraw/zinc/75/86/11/628758611.db2.gz BWKDNNRUGWVPKV-CQSZACIVSA-N 1 1 290.382 2.996 20 30 CFEDMO C=CC[N@@H+](CN1C[C@H](c2ccccc2F)CC1=O)C(C)C ZINC000783971781 628758616 /nfs/dbraw/zinc/75/86/16/628758616.db2.gz BWKDNNRUGWVPKV-CQSZACIVSA-N 1 1 290.382 2.996 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000784670048 628835632 /nfs/dbraw/zinc/83/56/32/628835632.db2.gz LETNVMYUCBLHGU-FVQBIDKESA-N 1 1 288.391 2.713 20 30 CFEDMO C=C(CC)C[N@@H+]1CCCC[C@@H]1COC(=O)NCCC ZINC000805775672 628876774 /nfs/dbraw/zinc/87/67/74/628876774.db2.gz HTOVVYLMYRTODS-CQSZACIVSA-N 1 1 268.401 2.943 20 30 CFEDMO Cc1cc(COC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1C#N ZINC000785725514 628908064 /nfs/dbraw/zinc/90/80/64/628908064.db2.gz AJAQMWFRWUUEJJ-OKILXGFUSA-N 1 1 286.375 2.783 20 30 CFEDMO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCc1cc(C#N)ccc1F ZINC000785739287 628909911 /nfs/dbraw/zinc/90/99/11/628909911.db2.gz XKMRVJOKFJUFPG-RYUDHWBXSA-N 1 1 290.338 2.613 20 30 CFEDMO C#CC[C@H]([NH2+]Cc1cccnc1OC)c1ccccc1 ZINC000785785169 628913858 /nfs/dbraw/zinc/91/38/58/628913858.db2.gz FGYPMSNNWDRXHV-INIZCTEOSA-N 1 1 266.344 2.944 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785998004 628929092 /nfs/dbraw/zinc/92/90/92/628929092.db2.gz UKQQUYHORNUOSA-HIFRSBDPSA-N 1 1 276.336 2.669 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000785998006 628929110 /nfs/dbraw/zinc/92/91/10/628929110.db2.gz UKQQUYHORNUOSA-ZFWWWQNUSA-N 1 1 276.336 2.669 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000785999074 628929561 /nfs/dbraw/zinc/92/95/61/628929561.db2.gz QEJCHMJOJQTBJY-ZFWWWQNUSA-N 1 1 276.336 2.669 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000785999068 628929702 /nfs/dbraw/zinc/92/97/02/628929702.db2.gz QEJCHMJOJQTBJY-DZGCQCFKSA-N 1 1 276.336 2.669 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@@](C)(C2CCCC2)CC1=O ZINC000786100865 628937032 /nfs/dbraw/zinc/93/70/32/628937032.db2.gz FSQWHQALBOBOLG-INIZCTEOSA-N 1 1 264.413 2.881 20 30 CFEDMO CC1(C)C[C@@H](NCCC#N)C[N@H+]1Cc1ccccc1 ZINC000787300215 629005602 /nfs/dbraw/zinc/00/56/02/629005602.db2.gz JKJUJUDJPAIASY-OAHLLOKOSA-N 1 1 257.381 2.543 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000787311082 629005956 /nfs/dbraw/zinc/00/59/56/629005956.db2.gz RCNYMCHQYCMPIO-ZDUSSCGKSA-N 1 1 277.364 2.950 20 30 CFEDMO COC(=O)c1occc1C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000787333261 629008031 /nfs/dbraw/zinc/00/80/31/629008031.db2.gz SSGMKYRDWPDGFM-HNNXBMFYSA-N 1 1 296.326 2.715 20 30 CFEDMO C#Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000787771668 629033812 /nfs/dbraw/zinc/03/38/12/629033812.db2.gz SKWJUQQRGPSKCH-PBHICJAKSA-N 1 1 256.393 2.582 20 30 CFEDMO C#Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000787771668 629033813 /nfs/dbraw/zinc/03/38/13/629033813.db2.gz SKWJUQQRGPSKCH-PBHICJAKSA-N 1 1 256.393 2.582 20 30 CFEDMO C#Cc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000787771668 629033817 /nfs/dbraw/zinc/03/38/17/629033817.db2.gz SKWJUQQRGPSKCH-PBHICJAKSA-N 1 1 256.393 2.582 20 30 CFEDMO C#Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000787771668 629033819 /nfs/dbraw/zinc/03/38/19/629033819.db2.gz SKWJUQQRGPSKCH-PBHICJAKSA-N 1 1 256.393 2.582 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@@H+]([C@@H]2CCCCC2=NN[C@H]2CCOC2)C1 ZINC000788444646 629067673 /nfs/dbraw/zinc/06/76/73/629067673.db2.gz CKMZTUDXTXURTO-QSJFSLAZSA-N 1 1 293.455 2.641 20 30 CFEDMO COc1cc(N=NC2CC[N@H+]3CCC[C@H]23)ccc1Cl ZINC000788467235 629072012 /nfs/dbraw/zinc/07/20/12/629072012.db2.gz HFXJAQXSBFLFIN-CYBMUJFWSA-N 1 1 279.771 2.985 20 30 CFEDMO C=CC[C@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788816597 629102314 /nfs/dbraw/zinc/10/23/14/629102314.db2.gz UHCHVOCSNWTLPR-NXEZZACHSA-N 1 1 289.297 2.999 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000788846158 629104594 /nfs/dbraw/zinc/10/45/94/629104594.db2.gz GYNUVHYUFTXQQB-IBGZPJMESA-N 1 1 277.367 2.760 20 30 CFEDMO C#CCCC[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000852306469 634716963 /nfs/dbraw/zinc/71/69/63/634716963.db2.gz HFBBZPJYXFZTNW-UHFFFAOYSA-N 1 1 268.401 2.635 20 30 CFEDMO CC[C@@H](C)NN=C1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000790190881 629218130 /nfs/dbraw/zinc/21/81/30/629218130.db2.gz RVEWXIREVDHXLT-UONOGXRCSA-N 1 1 274.412 2.668 20 30 CFEDMO Cn1cc[nH+]c1[N-][NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000790300384 629227906 /nfs/dbraw/zinc/22/79/06/629227906.db2.gz WKUYPUSOFATWJL-UHFFFAOYSA-N 1 1 283.379 2.856 20 30 CFEDMO Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852319226 634719564 /nfs/dbraw/zinc/71/95/64/634719564.db2.gz ICSNHZOTCHEWAS-BBRMVZONSA-N 1 1 276.355 2.793 20 30 CFEDMO C[N@H+]1CCCC(C)(C)[C@H]1C/N=C/c1cccc(O)c1O ZINC000790598551 629251434 /nfs/dbraw/zinc/25/14/34/629251434.db2.gz OKPVMONFFDOGPN-NGWPFTMJSA-N 1 1 276.380 2.637 20 30 CFEDMO C#CCC[N@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000852317576 634720140 /nfs/dbraw/zinc/72/01/40/634720140.db2.gz JSXOFHNXWMTXDH-INIZCTEOSA-N 1 1 285.387 2.951 20 30 CFEDMO COCCCCC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328490 634722122 /nfs/dbraw/zinc/72/21/22/634722122.db2.gz GLPNUVOPZIGSDT-KRWDZBQOSA-N 1 1 287.407 2.755 20 30 CFEDMO COCCCCC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328490 634722125 /nfs/dbraw/zinc/72/21/25/634722125.db2.gz GLPNUVOPZIGSDT-KRWDZBQOSA-N 1 1 287.407 2.755 20 30 CFEDMO C#C[C@H](CCC)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000791031469 629282842 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ZINC000791649165 629342282 /nfs/dbraw/zinc/34/22/82/629342282.db2.gz XDTUKYFMQPUCOC-KRWDZBQOSA-N 1 1 285.387 2.998 20 30 CFEDMO CC#CCC[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC000791649165 629342289 /nfs/dbraw/zinc/34/22/89/629342289.db2.gz XDTUKYFMQPUCOC-KRWDZBQOSA-N 1 1 285.387 2.998 20 30 CFEDMO C#C[C@@H](CCC)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000791743874 629351663 /nfs/dbraw/zinc/35/16/63/629351663.db2.gz UMMJRGDZAIWXSL-HOTGVXAUSA-N 1 1 272.392 2.598 20 30 CFEDMO C=CC[N@@H+](Cc1ccnc(Br)c1)[C@H](C)COC ZINC000852356312 634730851 /nfs/dbraw/zinc/73/08/51/634730851.db2.gz ASAJEVRWJYPLNX-LLVKDONJSA-N 1 1 299.212 2.867 20 30 CFEDMO C=CC[N@@H+](C[C@@H](O)c1ccc(F)cc1C)[C@H](C)COC ZINC000852358137 634732330 /nfs/dbraw/zinc/73/23/30/634732330.db2.gz NOCAPJGPXNOSSH-CZUORRHYSA-N 1 1 281.371 2.690 20 30 CFEDMO C=CC[N@@H+](Cc1cccc(Cl)n1)[C@H](C)COC ZINC000852358089 634732787 /nfs/dbraw/zinc/73/27/87/634732787.db2.gz MBTXEGDOBWNUSA-LLVKDONJSA-N 1 1 254.761 2.758 20 30 CFEDMO 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CCCCCCCCC[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000800466698 630389084 /nfs/dbraw/zinc/38/90/84/630389084.db2.gz FLTQLPGZEVFEGD-AWEZNQCLSA-N 1 1 275.458 2.856 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000852712271 634811359 /nfs/dbraw/zinc/81/13/59/634811359.db2.gz MVIRHELHAFLLCN-DZGCQCFKSA-N 1 1 250.386 2.960 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000852724618 634814619 /nfs/dbraw/zinc/81/46/19/634814619.db2.gz ITJUGWYVWWYSSJ-ZFWWWQNUSA-N 1 1 258.365 2.577 20 30 CFEDMO Cc1nc(C)c([C@H](C)[N@H+](C)CCO[C@H](C)C#N)s1 ZINC000801919003 630483736 /nfs/dbraw/zinc/48/37/36/630483736.db2.gz FPLRLGDMTJASGP-KOLCDFICSA-N 1 1 267.398 2.681 20 30 CFEDMO CCC[N@@H+](CCO[C@H](C)C#N)Cc1ccc(F)cc1 ZINC000801914581 630483939 /nfs/dbraw/zinc/48/39/39/630483939.db2.gz XIEYTMQEQABTLC-CYBMUJFWSA-N 1 1 264.344 2.966 20 30 CFEDMO CC(C)C[N@@H+](CCO[C@H](C)C#N)Cc1ccc(C#N)cc1 ZINC000801915122 630486647 /nfs/dbraw/zinc/48/66/47/630486647.db2.gz JOSYERGGOKPBOZ-OAHLLOKOSA-N 1 1 285.391 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C[C@H](C#N)OCC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000801950906 630494187 /nfs/dbraw/zinc/49/41/87/630494187.db2.gz PYNTUQQMWBLNOC-SNVBAGLBSA-N 1 1 270.735 2.840 20 30 CFEDMO C=CC[C@H]1[N@@H+](CCO[C@H](C)C#N)CCCC1(C)C ZINC000801949400 630494460 /nfs/dbraw/zinc/49/44/60/630494460.db2.gz DIDVLEPWABUAIO-ZIAGYGMSSA-N 1 1 250.386 2.982 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](C)Cc1ccc(F)c(Cl)c1 ZINC000801951596 630494558 /nfs/dbraw/zinc/49/45/58/630494558.db2.gz XFIMQYCIXBQKLB-JTQLQIEISA-N 1 1 270.735 2.840 20 30 CFEDMO COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCO[C@H](C)C#N ZINC000801952306 630495154 /nfs/dbraw/zinc/49/51/54/630495154.db2.gz SENSCRAXPGWQQS-IUODEOHRSA-N 1 1 296.798 2.888 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000801952699 630495332 /nfs/dbraw/zinc/49/53/32/630495332.db2.gz BVXHNDOZJKGXEH-IVSAIRAKSA-N 1 1 292.423 2.585 20 30 CFEDMO C#CCNC(=O)C[N@@H+](Cc1cccs1)C(C)(C)CCC ZINC000801997238 630497528 /nfs/dbraw/zinc/49/75/28/630497528.db2.gz 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/nfs/dbraw/zinc/58/60/26/630586026.db2.gz TVGAFTJJUXVGJP-UHFFFAOYSA-N 1 1 276.424 2.584 20 30 CFEDMO C=C(Br)COC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000803858950 630649161 /nfs/dbraw/zinc/64/91/61/630649161.db2.gz VFHLGKMMXCWTLX-LLVKDONJSA-N 1 1 290.201 2.703 20 30 CFEDMO C[C@H]1CCC[N@H+]1CCNc1nc(Cl)c(C#N)s1 ZINC000804522083 630689293 /nfs/dbraw/zinc/68/92/93/630689293.db2.gz OKVSVZSEXLMFST-QMMMGPOBSA-N 1 1 270.789 2.564 20 30 CFEDMO C=CCN1CCN(C[N@@H+]2CCC=C(c3ccccc3)C2)C1=O ZINC000840065005 630816863 /nfs/dbraw/zinc/81/68/63/630816863.db2.gz HNZXLFKSSUJCMZ-UHFFFAOYSA-N 1 1 297.402 2.657 20 30 CFEDMO C=CCN1CCN(C[N@H+]2CCC=C(c3ccccc3)C2)C1=O ZINC000840065005 630816870 /nfs/dbraw/zinc/81/68/70/630816870.db2.gz HNZXLFKSSUJCMZ-UHFFFAOYSA-N 1 1 297.402 2.657 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)N1CCC[C@H]1[C@@H](C)CCC ZINC000836488758 630832662 /nfs/dbraw/zinc/83/26/62/630832662.db2.gz NHOBKVSJZDFNBI-HOTGVXAUSA-N 1 1 293.455 2.552 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2ccc(C)cc21 ZINC000807898046 630920933 /nfs/dbraw/zinc/92/09/33/630920933.db2.gz OVPCRYCTDDMLIJ-ROUUACIJSA-N 1 1 296.414 2.586 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCc2ccc(C)cc21 ZINC000807898046 630920937 /nfs/dbraw/zinc/92/09/37/630920937.db2.gz OVPCRYCTDDMLIJ-ROUUACIJSA-N 1 1 296.414 2.586 20 30 CFEDMO Cc1cc([N+](=O)[O-])ccc1N=NC1CC[N@H+]2CCC[C@H]12 ZINC000807990318 630932460 /nfs/dbraw/zinc/93/24/60/630932460.db2.gz XPEKQESXCYSEBR-CQSZACIVSA-N 1 1 274.324 2.539 20 30 CFEDMO C=C(CNc1nc(N(C)C)cc[nH+]1)c1ccccc1 ZINC000808073234 630947386 /nfs/dbraw/zinc/94/73/86/630947386.db2.gz HEIBGYNOAUFHEB-UHFFFAOYSA-N 1 1 254.337 2.668 20 30 CFEDMO C#C[C@@H](NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)C(C)(C)C ZINC000808316016 630979276 /nfs/dbraw/zinc/97/92/76/630979276.db2.gz DOYOBZGXJYJMTK-HZPDHXFCSA-N 1 1 299.418 2.520 20 30 CFEDMO C#C[C@@H](NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)C(C)(C)C ZINC000808316016 630979277 /nfs/dbraw/zinc/97/92/77/630979277.db2.gz DOYOBZGXJYJMTK-HZPDHXFCSA-N 1 1 299.418 2.520 20 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/nfs/dbraw/zinc/05/00/87/631050087.db2.gz AQRNMMVYFPCYEQ-CVEARBPZSA-N 1 1 296.414 2.521 20 30 CFEDMO C[C@@H]1CN(C(=O)C#CC2CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000837506558 631050094 /nfs/dbraw/zinc/05/00/94/631050094.db2.gz AQRNMMVYFPCYEQ-CVEARBPZSA-N 1 1 296.414 2.521 20 30 CFEDMO C=CCOCCCC(=O)OC[C@H]1CCCC[N@@H+]1C(C)C ZINC000837552052 631063570 /nfs/dbraw/zinc/06/35/70/631063570.db2.gz NCIJFPCBDDFBLD-OAHLLOKOSA-N 1 1 283.412 2.775 20 30 CFEDMO C=CCCCCCCCNC(=O)Cn1cc[nH+]c1C ZINC000837657434 631099778 /nfs/dbraw/zinc/09/97/78/631099778.db2.gz OHBKMKJZNKRKCU-UHFFFAOYSA-N 1 1 263.385 2.834 20 30 CFEDMO C=C(C)[C@H]1OCC[C@H]1C(=O)OC[C@H]1CCCC[N@@H+]1C(C)C ZINC000837677086 631105052 /nfs/dbraw/zinc/10/50/52/631105052.db2.gz PRSQKIIDOASKKP-BZUAXINKSA-N 1 1 295.423 2.774 20 30 CFEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc(C(=O)NC)cc2)cc1 ZINC000809541608 631229667 /nfs/dbraw/zinc/22/96/67/631229667.db2.gz VCLAMHMJINKCQH-UHFFFAOYSA-N 1 1 292.382 2.660 20 30 CFEDMO C#Cc1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000809537604 631230386 /nfs/dbraw/zinc/23/03/86/631230386.db2.gz PNCIZNPFFJLCOF-UHFFFAOYSA-N 1 1 265.356 2.662 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000809576348 631239009 /nfs/dbraw/zinc/23/90/09/631239009.db2.gz TZVFNCVUCNJDSN-SFHVURJKSA-N 1 1 296.414 2.502 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)OC(C)C)cc1 ZINC000809579898 631239928 /nfs/dbraw/zinc/23/99/28/631239928.db2.gz IFXPIMGGLIZGRT-INIZCTEOSA-N 1 1 271.360 2.584 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OC(C)C)cc1 ZINC000809579898 631239929 /nfs/dbraw/zinc/23/99/29/631239929.db2.gz IFXPIMGGLIZGRT-INIZCTEOSA-N 1 1 271.360 2.584 20 30 CFEDMO C#Cc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)cc1 ZINC000809634400 631252669 /nfs/dbraw/zinc/25/26/69/631252669.db2.gz BDSBMUZOACJHME-IAGOWNOFSA-N 1 1 257.377 2.651 20 30 CFEDMO C#Cc1ccc(C[N@H+](C)C2CCC(NC(C)=O)CC2)cc1 ZINC000809638883 631253730 /nfs/dbraw/zinc/25/37/30/631253730.db2.gz OJYCXJIJBSSRKE-UHFFFAOYSA-N 1 1 284.403 2.547 20 30 CFEDMO C#Cc1ccc(C[N@@H+]([C@H](C)C(=O)OC)C2CCC2)cc1 ZINC000809652046 631255465 /nfs/dbraw/zinc/25/54/65/631255465.db2.gz QFCIVXDVBOTMBO-CYBMUJFWSA-N 1 1 271.360 2.584 20 30 CFEDMO C#Cc1ccc(C[N@H+]([C@H](C)C(=O)OC)C2CCC2)cc1 ZINC000809652046 631255469 /nfs/dbraw/zinc/25/54/69/631255469.db2.gz QFCIVXDVBOTMBO-CYBMUJFWSA-N 1 1 271.360 2.584 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)cc1 ZINC000809650629 631255516 /nfs/dbraw/zinc/25/55/16/631255516.db2.gz GWEIGFGYTMPUOK-ZQIUZPCESA-N 1 1 257.377 2.649 20 30 CFEDMO C#Cc1ccc(C[N@@H+](C)CC2(N(C)C)CCC2)cc1 ZINC000809650156 631255771 /nfs/dbraw/zinc/25/57/71/631255771.db2.gz PKYPZSZWILQELV-UHFFFAOYSA-N 1 1 256.393 2.584 20 30 CFEDMO C#Cc1ccc(C[N@H+](C)CC2(N(C)C)CCC2)cc1 ZINC000809650156 631255777 /nfs/dbraw/zinc/25/57/77/631255777.db2.gz PKYPZSZWILQELV-UHFFFAOYSA-N 1 1 256.393 2.584 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@H]2CCCOC2)cc1 ZINC000809693231 631265799 /nfs/dbraw/zinc/26/57/99/631265799.db2.gz QVDVZLWXGKFOMG-ZFWWWQNUSA-N 1 1 274.364 2.588 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)CCCn2ccnc2)cc1 ZINC000809753523 631281576 /nfs/dbraw/zinc/28/15/76/631281576.db2.gz VIXYECLBSVMABX-HNNXBMFYSA-N 1 1 298.390 2.696 20 30 CFEDMO C#CCOc1ccc(C[N@H+](CCC)CCCN(C)C)cc1 ZINC000809757395 631282734 /nfs/dbraw/zinc/28/27/34/631282734.db2.gz RTLFWTCBQDMATH-UHFFFAOYSA-N 1 1 288.435 2.862 20 30 CFEDMO C#CCOc1ccc(C[N@@H+](CCC)CCCN(C)C)cc1 ZINC000809757395 631282740 /nfs/dbraw/zinc/28/27/40/631282740.db2.gz RTLFWTCBQDMATH-UHFFFAOYSA-N 1 1 288.435 2.862 20 30 CFEDMO C#CCOc1ccc(CN(CCC)CCC[NH+](C)C)cc1 ZINC000809757395 631282744 /nfs/dbraw/zinc/28/27/44/631282744.db2.gz RTLFWTCBQDMATH-UHFFFAOYSA-N 1 1 288.435 2.862 20 30 CFEDMO C#CCOc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000809766812 631285210 /nfs/dbraw/zinc/28/52/10/631285210.db2.gz BCXJJFCNQNPJGL-IEBWSBKVSA-N 1 1 298.430 2.615 20 30 CFEDMO C#CCOc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000809766812 631285211 /nfs/dbraw/zinc/28/52/11/631285211.db2.gz BCXJJFCNQNPJGL-IEBWSBKVSA-N 1 1 298.430 2.615 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CCOCCNC(=O)OC(C)(C)C ZINC000809996315 631310418 /nfs/dbraw/zinc/31/04/18/631310418.db2.gz XIXGTSOEHDLEKA-CQSZACIVSA-N 1 1 298.427 2.568 20 30 CFEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2[nH]ncc2C)c1 ZINC000810144969 631333062 /nfs/dbraw/zinc/33/30/62/631333062.db2.gz NMTYCKYQLZKPBQ-CQSZACIVSA-N 1 1 284.363 2.689 20 30 CFEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2n[nH]cc2C)c1 ZINC000810144969 631333066 /nfs/dbraw/zinc/33/30/66/631333066.db2.gz NMTYCKYQLZKPBQ-CQSZACIVSA-N 1 1 284.363 2.689 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000810152881 631335781 /nfs/dbraw/zinc/33/57/81/631335781.db2.gz FXRPUGZMDZKCFO-KBPBESRZSA-N 1 1 299.292 2.681 20 30 CFEDMO CC(C)[N@@H+](C)C[C@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000810162903 631337211 /nfs/dbraw/zinc/33/72/11/631337211.db2.gz FSLDCLKETITBEB-LSDHHAIUSA-N 1 1 289.423 2.796 20 30 CFEDMO CC(C)[N@H+](C)C[C@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000810162903 631337216 /nfs/dbraw/zinc/33/72/16/631337216.db2.gz FSLDCLKETITBEB-LSDHHAIUSA-N 1 1 289.423 2.796 20 30 CFEDMO C#CCCOc1ccc(CN[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000810163494 631337983 /nfs/dbraw/zinc/33/79/83/631337983.db2.gz WFZSELHNASSNIT-INIZCTEOSA-N 1 1 288.435 2.907 20 30 CFEDMO C#CCCOc1ccc(CN[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000810163494 631337992 /nfs/dbraw/zinc/33/79/92/631337992.db2.gz WFZSELHNASSNIT-INIZCTEOSA-N 1 1 288.435 2.907 20 30 CFEDMO CCCCCCCCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000104188496 631344052 /nfs/dbraw/zinc/34/40/52/631344052.db2.gz CWPIWTUJUFQAQN-AWEZNQCLSA-N 1 1 254.418 2.805 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)CCc1ccc(C)s1 ZINC000810572782 631394197 /nfs/dbraw/zinc/39/41/97/631394197.db2.gz GTUOPWJKQRMSRD-AWEZNQCLSA-N 1 1 291.416 2.630 20 30 CFEDMO Cc1[nH+]ccn1C[C@@H](C)OC(=O)c1cccc(CC#N)c1 ZINC000810614431 631404873 /nfs/dbraw/zinc/40/48/73/631404873.db2.gz DIUKEUDIXLGHPR-GFCCVEGCSA-N 1 1 283.331 2.503 20 30 CFEDMO c1nc(N=NC2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n[nH]1 ZINC000841637515 631440527 /nfs/dbraw/zinc/44/05/27/631440527.db2.gz IEELCXCGEDAZBU-OAHLLOKOSA-N 1 1 296.378 2.572 20 30 CFEDMO N#CC1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCC1 ZINC000841897609 631490418 /nfs/dbraw/zinc/49/04/18/631490418.db2.gz GAJFSNXUYFLVOF-UHFFFAOYSA-N 1 1 268.719 2.968 20 30 CFEDMO C[C@@H]1C[C@@H](NCC2(C#N)CCC2)C[N@H+]1Cc1ccccc1 ZINC000841898313 631491377 /nfs/dbraw/zinc/49/13/77/631491377.db2.gz MQLWYOGKKNDXME-NVXWUHKLSA-N 1 1 283.419 2.933 20 30 CFEDMO C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CN1Cc1ccccc1 ZINC000841898313 631491380 /nfs/dbraw/zinc/49/13/80/631491380.db2.gz MQLWYOGKKNDXME-NVXWUHKLSA-N 1 1 283.419 2.933 20 30 CFEDMO COc1ccc(C(N)=[NH+]OC[C@H]2CCC(F)(F)C2)cc1 ZINC000842020448 631502497 /nfs/dbraw/zinc/50/24/97/631502497.db2.gz BBBKUPDXGNGUIU-JTQLQIEISA-N 1 1 284.306 2.768 20 30 CFEDMO CN(C)c1cc[nH+]c(N[C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000842050792 631513081 /nfs/dbraw/zinc/51/30/81/631513081.db2.gz 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C#CC[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccnc2)C1 ZINC000843423759 631952394 /nfs/dbraw/zinc/95/23/94/631952394.db2.gz JJSOIEHYGILNRZ-HNNXBMFYSA-N 1 1 294.402 2.717 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)C1 ZINC000843424686 631953090 /nfs/dbraw/zinc/95/30/90/631953090.db2.gz YXQFYPCKSLZSRG-HNNXBMFYSA-N 1 1 296.414 2.814 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2cc(F)ncc2F)C1 ZINC000843424058 631953392 /nfs/dbraw/zinc/95/33/92/631953392.db2.gz UKINRNMEGDXXNE-NSHDSACASA-N 1 1 250.292 2.595 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(F)ncc2F)C1 ZINC000843424058 631953394 /nfs/dbraw/zinc/95/33/94/631953394.db2.gz UKINRNMEGDXXNE-NSHDSACASA-N 1 1 250.292 2.595 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000843424218 631953746 /nfs/dbraw/zinc/95/37/46/631953746.db2.gz WEBXUNVYZCRKMI-CQSZACIVSA-N 1 1 254.377 2.806 20 30 CFEDMO C#CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000843999466 632091986 /nfs/dbraw/zinc/09/19/86/632091986.db2.gz OULRLUBHIJNEPM-DOTOQJQBSA-N 1 1 288.435 2.655 20 30 CFEDMO C[N@H+](Cc1ccc(C(=O)N2CCCC2)cc1)CC(C)(C)C#N ZINC000814670121 632105640 /nfs/dbraw/zinc/10/56/40/632105640.db2.gz MRBAEUYLCKKHMK-UHFFFAOYSA-N 1 1 299.418 2.904 20 30 CFEDMO C[N@@H+](Cc1ccc(C(=O)N2CCCC2)cc1)CC(C)(C)C#N ZINC000814670121 632105641 /nfs/dbraw/zinc/10/56/41/632105641.db2.gz MRBAEUYLCKKHMK-UHFFFAOYSA-N 1 1 299.418 2.904 20 30 CFEDMO C=CCC(F)(F)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000814789059 632124218 /nfs/dbraw/zinc/12/42/18/632124218.db2.gz VJSNNQYZNWBCPJ-LBPRGKRZSA-N 1 1 274.355 2.579 20 30 CFEDMO C=C(Br)C[NH2+]Cc1ccc(OC)c(F)c1 ZINC000105453548 632135344 /nfs/dbraw/zinc/13/53/44/632135344.db2.gz QCSSYFVSSBZUSM-UHFFFAOYSA-N 1 1 274.133 2.833 20 30 CFEDMO Cc1cc(C)c(N[NH+]=Cc2cnc(N(C)C)nc2)c(C)c1 ZINC000814860312 632140702 /nfs/dbraw/zinc/14/07/02/632140702.db2.gz ORMXOFBEFHALRT-UHFFFAOYSA-N 1 1 283.379 2.914 20 30 CFEDMO COCC(=NNc1cc[nH+]cc1)c1cccc(Cl)c1F ZINC000814900405 632154874 /nfs/dbraw/zinc/15/48/74/632154874.db2.gz RNGYXHUGHFSOLL-UHFFFAOYSA-N 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ZINC000815101203 632202253 /nfs/dbraw/zinc/20/22/53/632202253.db2.gz QNCFKHHWNXHOSA-FRRDWIJNSA-N 1 1 288.382 2.680 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)[C@@H]1C ZINC000815163041 632221374 /nfs/dbraw/zinc/22/13/74/632221374.db2.gz GXTFBIQJYOZVHX-CHWSQXEVSA-N 1 1 280.375 2.799 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000844468776 632223398 /nfs/dbraw/zinc/22/33/98/632223398.db2.gz MMRFTZGFQFGQQN-CHWSQXEVSA-N 1 1 276.355 2.716 20 30 CFEDMO C#CCCCCCC(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000844642027 632272506 /nfs/dbraw/zinc/27/25/06/632272506.db2.gz GOGNDHBLKXOXTJ-ILXRZTDVSA-N 1 1 264.413 2.510 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@H](CC)c1cc(F)ccc1F ZINC000815652746 632307211 /nfs/dbraw/zinc/30/72/11/632307211.db2.gz QBQVMJOCQPPDMB-MRXNPFEDSA-N 1 1 280.362 2.961 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@H](CC)c1cc(F)ccc1F ZINC000815652746 632307215 /nfs/dbraw/zinc/30/72/15/632307215.db2.gz QBQVMJOCQPPDMB-MRXNPFEDSA-N 1 1 280.362 2.961 20 30 CFEDMO C=CCC(F)(F)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000815706789 632312894 /nfs/dbraw/zinc/31/28/94/632312894.db2.gz YDKSMJIICVPLAU-LBPRGKRZSA-N 1 1 274.355 2.531 20 30 CFEDMO C#CCCCNC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000845011412 632356813 /nfs/dbraw/zinc/35/68/13/632356813.db2.gz FHQIHVVUIUOJST-UHFFFAOYSA-N 1 1 293.455 2.744 20 30 CFEDMO C#Cc1ccc(C[N@@H+](C)C[C@H](O)Cc2ccccc2)cc1 ZINC000816624660 632497176 /nfs/dbraw/zinc/49/71/76/632497176.db2.gz CGAGYULKUILXRH-LJQANCHMSA-N 1 1 279.383 2.703 20 30 CFEDMO CC[C@H]1C[N@@H+](C)CCN1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000816660647 632505894 /nfs/dbraw/zinc/50/58/94/632505894.db2.gz LFYJIFBMBLYYCG-HOCLYGCPSA-N 1 1 287.407 2.503 20 30 CFEDMO CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000816660647 632505900 /nfs/dbraw/zinc/50/59/00/632505900.db2.gz LFYJIFBMBLYYCG-HOCLYGCPSA-N 1 1 287.407 2.503 20 30 CFEDMO CC[C@H]1CN(C)CC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000816660647 632505905 /nfs/dbraw/zinc/50/59/05/632505905.db2.gz LFYJIFBMBLYYCG-HOCLYGCPSA-N 1 1 287.407 2.503 20 30 CFEDMO CCCCCCCCC[N@H+]1CC[C@H](NC(C)=O)C1 ZINC000817280373 632592347 /nfs/dbraw/zinc/59/23/47/632592347.db2.gz DKPPUHXGFDIOSA-HNNXBMFYSA-N 1 1 254.418 2.947 20 30 CFEDMO CSC1(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)CCC1 ZINC000846007522 632611741 /nfs/dbraw/zinc/61/17/41/632611741.db2.gz PBJNARRKCJGKRU-HNNXBMFYSA-N 1 1 290.432 2.809 20 30 CFEDMO CCC[C@H](C)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006938 632612469 /nfs/dbraw/zinc/61/24/69/632612469.db2.gz LTJVVPYOUMAKHB-XJKSGUPXSA-N 1 1 260.381 2.960 20 30 CFEDMO C#CCOc1ccc(C[N@H+](CC)[C@@H]2CCCOC2)cc1 ZINC000846052074 632624365 /nfs/dbraw/zinc/62/43/65/632624365.db2.gz KDWQGTOXVYGNIT-MRXNPFEDSA-N 1 1 273.376 2.700 20 30 CFEDMO CC#CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000846344861 632693590 /nfs/dbraw/zinc/69/35/90/632693590.db2.gz DEIFTWQQEADVCP-HRCADAONSA-N 1 1 284.403 2.520 20 30 CFEDMO N#CCOc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000817918232 632733274 /nfs/dbraw/zinc/73/32/74/632733274.db2.gz KFIQFTIEILZWFI-RCCFBDPRSA-N 1 1 299.418 2.599 20 30 CFEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CN)CCCC)cc1 ZINC000817962158 632761466 /nfs/dbraw/zinc/76/14/66/632761466.db2.gz GQBXKOMGJKCBAB-GDBMZVCRSA-N 1 1 274.408 2.867 20 30 CFEDMO C[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(OCC#N)cc1 ZINC000817966935 632766864 /nfs/dbraw/zinc/76/68/64/632766864.db2.gz ZQESTINYTSTBPZ-RHSMWYFYSA-N 1 1 287.407 2.629 20 30 CFEDMO CC[N@@H+](C)C[C@@H]1CCN(c2ccc(C#N)cc2C)C1 ZINC000846751852 632785034 /nfs/dbraw/zinc/78/50/34/632785034.db2.gz OJXORKPADHEWOT-HNNXBMFYSA-N 1 1 257.381 2.645 20 30 CFEDMO Cc1cc(C#N)ccc1N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000846755434 632787288 /nfs/dbraw/zinc/78/72/88/632787288.db2.gz MVPUYKHRJUJUOW-WBVHZDCISA-N 1 1 269.392 2.787 20 30 CFEDMO Oc1ccccc1/C=N/[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000846757110 632787674 /nfs/dbraw/zinc/78/76/74/632787674.db2.gz SNPUWRXGDBICIS-DYNPQAPLSA-N 1 1 258.365 2.828 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H](C)c2cc(Cl)ccc2O)nn1 ZINC000818347516 632836038 /nfs/dbraw/zinc/83/60/38/632836038.db2.gz SBNFOJDGYMKRLB-SNVBAGLBSA-N 1 1 292.770 2.674 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc(F)cc2C)nn1 ZINC000818347395 632836209 /nfs/dbraw/zinc/83/62/09/632836209.db2.gz QNXWBOCJQNHBCW-GFCCVEGCSA-N 1 1 274.343 2.762 20 30 CFEDMO C[C@]12CC[N@H+](Cc3ccc(C#N)cn3)C[C@H]1C2(Cl)Cl ZINC000846896253 632836928 /nfs/dbraw/zinc/83/69/28/632836928.db2.gz VFKUUTXESBBGHV-OLZOCXBDSA-N 1 1 296.201 2.969 20 30 CFEDMO C[C@]12CC[N@@H+](Cc3ccc(C#N)cn3)C[C@H]1C2(Cl)Cl ZINC000846896253 632836935 /nfs/dbraw/zinc/83/69/35/632836935.db2.gz VFKUUTXESBBGHV-OLZOCXBDSA-N 1 1 296.201 2.969 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cccc(F)c2)no1 ZINC000818381038 632839157 /nfs/dbraw/zinc/83/91/57/632839157.db2.gz MITOOLNEINANRT-LLVKDONJSA-N 1 1 260.272 2.569 20 30 CFEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000846913288 632843896 /nfs/dbraw/zinc/84/38/96/632843896.db2.gz RUFLFZXYBXBQGE-KBXCAEBGSA-N 1 1 295.386 2.897 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1ccnc(Br)c1 ZINC000846979476 632866876 /nfs/dbraw/zinc/86/68/76/632866876.db2.gz BDWAIIOKFMLRSD-SNVBAGLBSA-N 1 1 268.158 2.626 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1cc(=O)oc2cc(C)ccc12 ZINC000846991289 632871253 /nfs/dbraw/zinc/87/12/53/632871253.db2.gz HIECSFPEMFLYCB-CYBMUJFWSA-N 1 1 270.332 2.883 20 30 CFEDMO C#C[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(C)C ZINC000847015001 632881556 /nfs/dbraw/zinc/88/15/56/632881556.db2.gz PNDVLUFLIZVUQA-HUUCEWRRSA-N 1 1 292.810 2.717 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000847020026 632883715 /nfs/dbraw/zinc/88/37/15/632883715.db2.gz VGNCPSRRFPQVTJ-LLVKDONJSA-N 1 1 268.282 2.946 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cncc(C(F)(F)F)c2)C1 ZINC000847020026 632883725 /nfs/dbraw/zinc/88/37/25/632883725.db2.gz VGNCPSRRFPQVTJ-LLVKDONJSA-N 1 1 268.282 2.946 20 30 CFEDMO C#C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000847020957 632885065 /nfs/dbraw/zinc/88/50/65/632885065.db2.gz GXLDQXKZUWEWCR-XHDPSFHLSA-N 1 1 281.758 2.858 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000847023430 632889501 /nfs/dbraw/zinc/88/95/01/632889501.db2.gz BZFXLKOIJMVVLY-NSHDSACASA-N 1 1 285.303 2.581 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000847023430 632889506 /nfs/dbraw/zinc/88/95/06/632889506.db2.gz BZFXLKOIJMVVLY-NSHDSACASA-N 1 1 285.303 2.581 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000847023782 632889862 /nfs/dbraw/zinc/88/98/62/632889862.db2.gz FPAVGCURVXKFKD-OAHLLOKOSA-N 1 1 268.360 2.672 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000847024714 632890188 /nfs/dbraw/zinc/89/01/88/632890188.db2.gz KRYNPJCTVJVRFE-CQSZACIVSA-N 1 1 281.359 2.624 20 30 CFEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)c2nc(CCCC)no2)C1 ZINC000847025852 632893244 /nfs/dbraw/zinc/89/32/44/632893244.db2.gz WWIJQKZYNQZJEW-OLZOCXBDSA-N 1 1 261.369 2.818 20 30 CFEDMO C#C[C@H]1CCC[N@H+]([C@H](C)c2nc(CCCC)no2)C1 ZINC000847025852 632893251 /nfs/dbraw/zinc/89/32/51/632893251.db2.gz WWIJQKZYNQZJEW-OLZOCXBDSA-N 1 1 261.369 2.818 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000847029640 632894226 /nfs/dbraw/zinc/89/42/26/632894226.db2.gz MZJAKTRXSPIFCU-ZDUSSCGKSA-N 1 1 267.332 2.582 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3)no2)C1 ZINC000847029640 632894230 /nfs/dbraw/zinc/89/42/30/632894230.db2.gz MZJAKTRXSPIFCU-ZDUSSCGKSA-N 1 1 267.332 2.582 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000847030615 632894423 /nfs/dbraw/zinc/89/44/23/632894423.db2.gz QLZFOQWJDJOGKJ-CVEARBPZSA-N 1 1 296.414 2.700 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000847030615 632894431 /nfs/dbraw/zinc/89/44/31/632894431.db2.gz QLZFOQWJDJOGKJ-CVEARBPZSA-N 1 1 296.414 2.700 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000847031284 632896213 /nfs/dbraw/zinc/89/62/13/632896213.db2.gz TUECXSNLJSFFKB-LBPRGKRZSA-N 1 1 291.778 2.956 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000847031284 632896219 /nfs/dbraw/zinc/89/62/19/632896219.db2.gz TUECXSNLJSFFKB-LBPRGKRZSA-N 1 1 291.778 2.956 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CC(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000847031836 632896326 /nfs/dbraw/zinc/89/63/26/632896326.db2.gz VBSSMIBGPOLBSK-KRWDZBQOSA-N 1 1 298.430 2.769 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2nnc(-c3cc(C)oc3C)o2)C1 ZINC000847031762 632896615 /nfs/dbraw/zinc/89/66/15/632896615.db2.gz URNORCMEAVKWCZ-CYBMUJFWSA-N 1 1 285.347 2.792 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2nnc(-c3cc(C)oc3C)o2)C1 ZINC000847031762 632896621 /nfs/dbraw/zinc/89/66/21/632896621.db2.gz URNORCMEAVKWCZ-CYBMUJFWSA-N 1 1 285.347 2.792 20 30 CFEDMO C#Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000847112189 632925998 /nfs/dbraw/zinc/92/59/98/632925998.db2.gz RWEVWHGZRNRDPA-SJORKVTESA-N 1 1 297.402 2.806 20 30 CFEDMO C#CCCCCCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847256507 632963849 /nfs/dbraw/zinc/96/38/49/632963849.db2.gz QERNCTYYJVVXGN-HOTGVXAUSA-N 1 1 276.424 2.703 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)CCC2CCCCCC2)CC1 ZINC000847415628 632985221 /nfs/dbraw/zinc/98/52/21/632985221.db2.gz BEPFHAVKJYSATI-UHFFFAOYSA-N 1 1 290.451 2.905 20 30 CFEDMO C=C(Cl)CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000847509268 632994009 /nfs/dbraw/zinc/99/40/09/632994009.db2.gz DFNMIPWMXQUSLM-GFCCVEGCSA-N 1 1 287.190 2.811 20 30 CFEDMO N#CCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000819266261 633044913 /nfs/dbraw/zinc/04/49/13/633044913.db2.gz AQGCAOPDDAAHKU-LLVKDONJSA-N 1 1 259.136 2.530 20 30 CFEDMO c1[nH]nc2ccc(N=NC3CCC[N@@H+]4CCCC[C@H]34)cc12 ZINC000848408679 633251098 /nfs/dbraw/zinc/25/10/98/633251098.db2.gz VUJVQPUWNKQPSR-MRXNPFEDSA-N 1 1 283.379 2.979 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](CN2C(=O)[C@H](C)[C@H]2c2ccccc2)C1 ZINC000848493505 633265730 /nfs/dbraw/zinc/26/57/30/633265730.db2.gz NOUAYCKIDGOMSK-INMHGKMJSA-N 1 1 282.387 2.509 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CN2C(=O)[C@H](C)[C@H]2c2ccccc2)C1 ZINC000848493505 633265734 /nfs/dbraw/zinc/26/57/34/633265734.db2.gz NOUAYCKIDGOMSK-INMHGKMJSA-N 1 1 282.387 2.509 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cn2ccc(-c3cccs3)n2)C1 ZINC000848493233 633266495 /nfs/dbraw/zinc/26/64/95/633266495.db2.gz KOKLTBYCONUCGK-ZDUSSCGKSA-N 1 1 271.389 2.914 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cn2ccc(-c3cccs3)n2)C1 ZINC000848493233 633266496 /nfs/dbraw/zinc/26/64/96/633266496.db2.gz KOKLTBYCONUCGK-ZDUSSCGKSA-N 1 1 271.389 2.914 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](CN2C[C@@H](CC(C)(C)C)CC2=O)C1 ZINC000848494482 633266821 /nfs/dbraw/zinc/26/68/21/633266821.db2.gz QMYHZAKUFNPBMD-LSDHHAIUSA-N 1 1 276.424 2.574 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CN2C[C@@H](CC(C)(C)C)CC2=O)C1 ZINC000848494482 633266824 /nfs/dbraw/zinc/26/68/24/633266824.db2.gz QMYHZAKUFNPBMD-LSDHHAIUSA-N 1 1 276.424 2.574 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000848494596 633266907 /nfs/dbraw/zinc/26/69/07/633266907.db2.gz YDAOLPCDYRLHGJ-ZDUSSCGKSA-N 1 1 266.344 2.786 20 30 CFEDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1cc(Cl)ccc1OCC#N ZINC000848519591 633273732 /nfs/dbraw/zinc/27/37/32/633273732.db2.gz OPNWIAADWCQTQG-JOYOIKCWSA-N 1 1 293.754 2.897 20 30 CFEDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1cc(Cl)ccc1OCC#N ZINC000848519592 633273845 /nfs/dbraw/zinc/27/38/45/633273845.db2.gz OPNWIAADWCQTQG-SKDRFNHKSA-N 1 1 293.754 2.897 20 30 CFEDMO Cn1ccc(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)n1 ZINC000848544572 633284580 /nfs/dbraw/zinc/28/45/80/633284580.db2.gz NIXNEDQJXVUJPS-UHFFFAOYSA-N 1 1 268.364 2.511 20 30 CFEDMO N#CCCCC[C@H]([NH3+])c1nc(Cc2ccccc2F)no1 ZINC000848617772 633298601 /nfs/dbraw/zinc/29/86/01/633298601.db2.gz MWWXDPZTKIFPBZ-ZDUSSCGKSA-N 1 1 288.326 2.883 20 30 CFEDMO Cc1ccc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)cn1 ZINC000848622008 633299995 /nfs/dbraw/zinc/29/99/95/633299995.db2.gz QSIYYDYGKGHICA-LBPRGKRZSA-N 1 1 271.324 2.524 20 30 CFEDMO Cc1cncc(-c2noc([C@@H]([NH3+])CCCCC#N)n2)c1 ZINC000848622610 633300779 /nfs/dbraw/zinc/30/07/79/633300779.db2.gz ZADJNCIPSPOHEM-LBPRGKRZSA-N 1 1 271.324 2.524 20 30 CFEDMO CC(C)OCCCc1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848623662 633301381 /nfs/dbraw/zinc/30/13/81/633301381.db2.gz LHINVQJQJRLQMZ-LBPRGKRZSA-N 1 1 280.372 2.511 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000848923047 633404552 /nfs/dbraw/zinc/40/45/52/633404552.db2.gz CZPSJKZQVNVAJX-AWEZNQCLSA-N 1 1 295.386 2.931 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cccc(OCCOC)c2)C1 ZINC000848922998 633404566 /nfs/dbraw/zinc/40/45/66/633404566.db2.gz BIWQJMMNBXQFJB-OAHLLOKOSA-N 1 1 273.376 2.557 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCC)c2)C1 ZINC000848923311 633405930 /nfs/dbraw/zinc/40/59/30/633405930.db2.gz IQZRDMLVOZTNFY-CQSZACIVSA-N 1 1 273.376 2.939 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000848924154 633406061 /nfs/dbraw/zinc/40/60/61/633406061.db2.gz VVYFHEYZEKDZIU-MRXNPFEDSA-N 1 1 281.403 2.882 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(OC)cc2OC)C1 ZINC000848924223 633407261 /nfs/dbraw/zinc/40/72/61/633407261.db2.gz XVKOQRPLIGSTFG-ZDUSSCGKSA-N 1 1 259.349 2.549 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2c(C)cc(OC)nc2C)C1 ZINC000848924396 633407463 /nfs/dbraw/zinc/40/74/63/633407463.db2.gz RIZRFNOBBUAVFT-AWEZNQCLSA-N 1 1 258.365 2.552 20 30 CFEDMO Cc1[nH+]cc(CNc2ccccc2O[C@@H](C)C#N)n1C ZINC000850241131 633907843 /nfs/dbraw/zinc/90/78/43/633907843.db2.gz UIAUQCWKCHZMMH-NSHDSACASA-N 1 1 270.336 2.632 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001014378846 651185730 /nfs/dbraw/zinc/18/57/30/651185730.db2.gz UZLLHPPSSINTFR-OAHLLOKOSA-N 1 1 262.397 2.644 20 30 CFEDMO C=CCOCCC[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000850378278 633965717 /nfs/dbraw/zinc/96/57/17/633965717.db2.gz WLVNORJNLNVPNL-UHFFFAOYSA-N 1 1 273.735 2.867 20 30 CFEDMO C#Cc1ccc(CNC(C)(C)C[N@H+](C)CCC)cc1 ZINC000850409771 633979175 /nfs/dbraw/zinc/97/91/75/633979175.db2.gz FVZUMQFIWSIEEB-UHFFFAOYSA-N 1 1 258.409 2.878 20 30 CFEDMO C#Cc1ccc(C[NH2+]C(C)(C)CN(C)CCC)cc1 ZINC000850409771 633979177 /nfs/dbraw/zinc/97/91/77/633979177.db2.gz FVZUMQFIWSIEEB-UHFFFAOYSA-N 1 1 258.409 2.878 20 30 CFEDMO C=C[C@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000850572522 634057520 /nfs/dbraw/zinc/05/75/20/634057520.db2.gz LFCZQNMPKILQMK-HTQZYQBOSA-N 1 1 276.163 2.897 20 30 CFEDMO C[N@@H+](CCOc1cccc(C#N)c1)Cc1ccccc1O ZINC000109769096 634233141 /nfs/dbraw/zinc/23/31/41/634233141.db2.gz BKSZRJKBHMJFQT-UHFFFAOYSA-N 1 1 282.343 2.775 20 30 CFEDMO C=CC(C)(C)CCOC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000851300556 634311681 /nfs/dbraw/zinc/31/16/81/634311681.db2.gz VOGZMIDOAVPXHT-GFCCVEGCSA-N 1 1 271.426 2.569 20 30 CFEDMO C=CC(C)(C)CCOC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000851300556 634311685 /nfs/dbraw/zinc/31/16/85/634311685.db2.gz VOGZMIDOAVPXHT-GFCCVEGCSA-N 1 1 271.426 2.569 20 30 CFEDMO C=C[C@H](OC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccccc1 ZINC000851452514 634368897 /nfs/dbraw/zinc/36/88/97/634368897.db2.gz UEVOCNNQTWSTDF-GJZGRUSLSA-N 1 1 291.416 2.894 20 30 CFEDMO C=C[C@H](OC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccccc1 ZINC000851452514 634368904 /nfs/dbraw/zinc/36/89/04/634368904.db2.gz UEVOCNNQTWSTDF-GJZGRUSLSA-N 1 1 291.416 2.894 20 30 CFEDMO C#Cc1cccnc1NCCC[N@H+]1CCc2ccccc2C1 ZINC000853150919 634920455 /nfs/dbraw/zinc/92/04/55/634920455.db2.gz KYMKKXSZXNCUMH-UHFFFAOYSA-N 1 1 291.398 2.923 20 30 CFEDMO C#CCCCOc1cccnc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000853182995 634926773 /nfs/dbraw/zinc/92/67/73/634926773.db2.gz FTWFOVSCSYFWPL-CVEARBPZSA-N 1 1 299.418 2.913 20 30 CFEDMO C#Cc1cccnc1N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000853192495 634929684 /nfs/dbraw/zinc/92/96/84/634929684.db2.gz BXRVGXPRILWCIG-HLLBOEOZSA-N 1 1 283.419 2.905 20 30 CFEDMO N#Cc1ncc(C(F)(F)F)cc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000853231022 634947219 /nfs/dbraw/zinc/94/72/19/634947219.db2.gz CSGLKFRHOYIGCT-SNVBAGLBSA-N 1 1 296.296 2.621 20 30 CFEDMO C[C@@H]1CC(N=Nc2cc(F)cc(Cl)c2)C[N@H+]1C ZINC000853397096 634993987 /nfs/dbraw/zinc/99/39/87/634993987.db2.gz WDZGIPZMDBMFFS-MRVPVSSYSA-N 1 1 255.724 2.971 20 30 CFEDMO Cc1ccc(N[NH2+]C2=CC(=O)N3CCCC[C@@H]23)cc1F ZINC000853438447 634999753 /nfs/dbraw/zinc/99/97/53/634999753.db2.gz BOUSJCITBTYPRG-AWEZNQCLSA-N 1 1 275.327 2.687 20 30 CFEDMO c1ccc(C[NH+]2CCC(=NOCC3CCC3)CC2)nc1 ZINC000853439971 635000615 /nfs/dbraw/zinc/00/06/15/635000615.db2.gz RSLKWNFDIPJESA-UHFFFAOYSA-N 1 1 273.380 2.850 20 30 CFEDMO CCC1(CC)CCC[N@H+](Cn2cccc(C#N)c2=O)C1 ZINC000853563145 635036545 /nfs/dbraw/zinc/03/65/45/635036545.db2.gz LYQYLLDJPPOTAO-UHFFFAOYSA-N 1 1 273.380 2.580 20 30 CFEDMO CCC1(CC)CCC[N@@H+](Cn2cccc(C#N)c2=O)C1 ZINC000853563145 635036548 /nfs/dbraw/zinc/03/65/48/635036548.db2.gz LYQYLLDJPPOTAO-UHFFFAOYSA-N 1 1 273.380 2.580 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)C[C@@](C)(C(C)C)C1=O ZINC000853598861 635046119 /nfs/dbraw/zinc/04/61/19/635046119.db2.gz XLEJINOQEHEQBI-VBQJREDUSA-N 1 1 290.407 2.548 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc2c(cc1O)OCO2 ZINC000853598512 635046239 /nfs/dbraw/zinc/04/62/39/635046239.db2.gz BVQOIVDCSQMYCQ-BETUJISGSA-N 1 1 273.332 2.804 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000853598042 635046536 /nfs/dbraw/zinc/04/65/36/635046536.db2.gz IIOAWJMTXGAJDH-QLFBSQMISA-N 1 1 274.408 2.774 20 30 CFEDMO CC(C)[N@H+]1CCCC[C@H]1CON=Cc1ccc([N+](=O)[O-])o1 ZINC000853643203 635057784 /nfs/dbraw/zinc/05/77/84/635057784.db2.gz YXFVLTWDHBRSJK-LBPRGKRZSA-N 1 1 295.339 2.801 20 30 CFEDMO CC(C)[N@H+]1CCCC[C@@H]1CON=C(N)c1cccs1 ZINC000853645626 635058835 /nfs/dbraw/zinc/05/88/35/635058835.db2.gz CFHZZJBIYUNVFB-GFCCVEGCSA-N 1 1 281.425 2.648 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(C#N)ccc1F ZINC000854493822 635316363 /nfs/dbraw/zinc/31/63/63/635316363.db2.gz IMFTUEIKGFGYAN-LBPRGKRZSA-N 1 1 291.370 2.548 20 30 CFEDMO COC[C@H]1CCC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000112986258 635455295 /nfs/dbraw/zinc/45/52/95/635455295.db2.gz WRILILVXMFHWFL-INIZCTEOSA-N 1 1 288.391 2.686 20 30 CFEDMO Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1C#N ZINC000855161403 635471891 /nfs/dbraw/zinc/47/18/91/635471891.db2.gz PROWQZMKCFAFKU-CQSZACIVSA-N 1 1 299.418 2.717 20 30 CFEDMO C#CCCOc1ccc(CNC[C@H]2CCC[N@H+]2CC)cc1 ZINC000113313860 635531666 /nfs/dbraw/zinc/53/16/66/635531666.db2.gz IVFCNXUEKNBGTM-QGZVFWFLSA-N 1 1 286.419 2.663 20 30 CFEDMO C#CCCOc1ccc(CNC[C@H]2CCC[N@@H+]2CC)cc1 ZINC000113313860 635531670 /nfs/dbraw/zinc/53/16/70/635531670.db2.gz IVFCNXUEKNBGTM-QGZVFWFLSA-N 1 1 286.419 2.663 20 30 CFEDMO C#CCOc1ccc(CNCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000113322141 635551950 /nfs/dbraw/zinc/55/19/50/635551950.db2.gz DCDKARCFEDWSAL-INIZCTEOSA-N 1 1 286.419 2.663 20 30 CFEDMO C#CCOc1ccc(CNCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000113322141 635551955 /nfs/dbraw/zinc/55/19/55/635551955.db2.gz DCDKARCFEDWSAL-INIZCTEOSA-N 1 1 286.419 2.663 20 30 CFEDMO C#CCOc1ccc(CNCC[NH+]2CCC(C)CC2)cc1 ZINC000113321934 635552478 /nfs/dbraw/zinc/55/24/78/635552478.db2.gz LAZLMHLAADJWGR-UHFFFAOYSA-N 1 1 286.419 2.520 20 30 CFEDMO CCc1ccc(C#CC(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000855487548 635564028 /nfs/dbraw/zinc/56/40/28/635564028.db2.gz WWHFSJMRXKFUHP-GOSISDBHSA-N 1 1 298.430 2.543 20 30 CFEDMO C#CCCCC(=O)N1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000855732215 635630779 /nfs/dbraw/zinc/63/07/79/635630779.db2.gz JMKAISNVEBIXHD-GOSISDBHSA-N 1 1 298.430 2.565 20 30 CFEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000855809462 635659758 /nfs/dbraw/zinc/65/97/58/635659758.db2.gz FWBSTJBBMQGUPB-HNNXBMFYSA-N 1 1 276.424 2.703 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)/C=C(\C)c1cccs1 ZINC000857011637 635904255 /nfs/dbraw/zinc/90/42/55/635904255.db2.gz WUBSELIZNHNBAF-CMPYXILNSA-N 1 1 289.400 2.792 20 30 CFEDMO C=C(Cl)CNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857131470 635933088 /nfs/dbraw/zinc/93/30/88/635933088.db2.gz ZTBMSBMRCXPOCD-OAHLLOKOSA-N 1 1 292.810 2.978 20 30 CFEDMO CCN(CCC#N)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857145628 635935897 /nfs/dbraw/zinc/93/58/97/635935897.db2.gz HPCCZPKYQNKBNY-QGZVFWFLSA-N 1 1 299.418 2.872 20 30 CFEDMO C#C[C@H](C)N(C)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857195483 635944162 /nfs/dbraw/zinc/94/41/62/635944162.db2.gz WRNNLWAJESSFFB-YOEHRIQHSA-N 1 1 284.403 2.590 20 30 CFEDMO C#C[C@H](CC)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857192050 635944342 /nfs/dbraw/zinc/94/43/42/635944342.db2.gz ZARCTOKNXQQLDQ-IAGOWNOFSA-N 1 1 284.403 2.637 20 30 CFEDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)nc1 ZINC000858011072 636113959 /nfs/dbraw/zinc/11/39/59/636113959.db2.gz JSAIKBXQGBNYDQ-QGZVFWFLSA-N 1 1 293.370 2.915 20 30 CFEDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)nc1 ZINC000858011628 636114313 /nfs/dbraw/zinc/11/43/13/636114313.db2.gz QDTKKOKHMFBTKN-QGZVFWFLSA-N 1 1 293.370 2.915 20 30 CFEDMO C=CC[N@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858013734 636115472 /nfs/dbraw/zinc/11/54/72/636115472.db2.gz KVGPOTLJEKNKFE-OAHLLOKOSA-N 1 1 258.365 2.988 20 30 CFEDMO Cc1ccc(O[C@H]2CC[N@@H+](CCCCC#N)C2)nc1 ZINC000858035734 636116079 /nfs/dbraw/zinc/11/60/79/636116079.db2.gz BOUXIMHTSKNAIL-AWEZNQCLSA-N 1 1 259.353 2.537 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858040258 636117545 /nfs/dbraw/zinc/11/75/45/636117545.db2.gz CQNRSHIIBGQBEC-GJZGRUSLSA-N 1 1 258.365 2.645 20 30 CFEDMO C#Cc1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000858285130 636175845 /nfs/dbraw/zinc/17/58/45/636175845.db2.gz GYWDABCGMPIKOH-GOSISDBHSA-N 1 1 268.404 2.774 20 30 CFEDMO C#Cc1ccc(CNC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000858285130 636175848 /nfs/dbraw/zinc/17/58/48/636175848.db2.gz GYWDABCGMPIKOH-GOSISDBHSA-N 1 1 268.404 2.774 20 30 CFEDMO C#CCCOC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000858914837 636381673 /nfs/dbraw/zinc/38/16/73/636381673.db2.gz CPMQBPXKNQHTDR-GDBMZVCRSA-N 1 1 286.375 2.571 20 30 CFEDMO COCC[N@@H+](CCCOc1ccc(C#N)cc1)CC(C)C ZINC000048068952 650254335 /nfs/dbraw/zinc/25/43/35/650254335.db2.gz XWVXCYYBHKBTMX-UHFFFAOYSA-N 1 1 290.407 2.932 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000859444610 636564614 /nfs/dbraw/zinc/56/46/14/636564614.db2.gz UWBCLHLRGNHOKY-IAQYHMDHSA-N 1 1 267.319 2.896 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000859444220 636564637 /nfs/dbraw/zinc/56/46/37/636564637.db2.gz HDGJLECGRRRXGH-RISCZKNCSA-N 1 1 267.319 2.896 20 30 CFEDMO C=CC[C@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000859446335 636565894 /nfs/dbraw/zinc/56/58/94/636565894.db2.gz XPQKTJZMOBNMGX-WFASDCNBSA-N 1 1 276.336 2.526 20 30 CFEDMO C=CC[C@H]1CC[N@@H+](CC(=O)Nc2cccnc2Cl)C1 ZINC000859445009 636565941 /nfs/dbraw/zinc/56/59/41/636565941.db2.gz IOBAKHOLMJREOE-NSHDSACASA-N 1 1 279.771 2.572 20 30 CFEDMO C=CC[C@H]1CC[N@H+](CC(=O)Nc2cccnc2Cl)C1 ZINC000859445009 636565943 /nfs/dbraw/zinc/56/59/43/636565943.db2.gz IOBAKHOLMJREOE-NSHDSACASA-N 1 1 279.771 2.572 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](CC2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000859445334 636566547 /nfs/dbraw/zinc/56/65/47/636566547.db2.gz GPKJJIQWLRZLNH-CYBMUJFWSA-N 1 1 280.412 2.751 20 30 CFEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)CC1(C)COC1 ZINC000859565474 636603065 /nfs/dbraw/zinc/60/30/65/636603065.db2.gz KTATZVKAMRFPDE-UHFFFAOYSA-N 1 1 294.782 2.711 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCC[C@](O)(c3ccccc3)C2)C1 ZINC000859587888 636611498 /nfs/dbraw/zinc/61/14/98/636611498.db2.gz BZKFODJSQOOLDH-DJIMGWMZSA-N 1 1 270.376 2.662 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)C1=O ZINC000859928605 636743715 /nfs/dbraw/zinc/74/37/15/636743715.db2.gz MGTMYUJRNFMVJP-WNRNVDISSA-N 1 1 296.414 2.509 20 30 CFEDMO CC(C)C(=O)CC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000860108497 636790466 /nfs/dbraw/zinc/79/04/66/636790466.db2.gz CNXLRAFHHKHCMO-UHFFFAOYSA-N 1 1 270.376 2.726 20 30 CFEDMO NC(=[NH+]OCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000049066114 650287130 /nfs/dbraw/zinc/28/71/30/650287130.db2.gz CPGZHEPIDWPFHF-UHFFFAOYSA-N 1 1 277.324 2.964 20 30 CFEDMO C=CC[C@H]1CCCC[C@H]1OC(=O)Cn1c[nH+]cc1C ZINC000860870288 636996966 /nfs/dbraw/zinc/99/69/66/636996966.db2.gz NTWDAGAKJNWZAK-UONOGXRCSA-N 1 1 262.353 2.870 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CC(N)=NOCc1ccc(F)c(F)c1 ZINC000117868784 637028970 /nfs/dbraw/zinc/02/89/70/637028970.db2.gz AXMGGTQXJUHBCK-NSHDSACASA-N 1 1 297.349 2.628 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)CC(C1CCC1)C1CCC1 ZINC000861838579 637243481 /nfs/dbraw/zinc/24/34/81/637243481.db2.gz JHRINCSSGYPBTA-UHFFFAOYSA-N 1 1 290.451 2.664 20 30 CFEDMO C=CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000862170273 637282779 /nfs/dbraw/zinc/28/27/79/637282779.db2.gz LFYPSMYVKFMMIY-QGZVFWFLSA-N 1 1 298.430 2.981 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(C)c(Br)cn1 ZINC000862349297 637325373 /nfs/dbraw/zinc/32/53/73/637325373.db2.gz WSOJGFVHUNGQMJ-SNVBAGLBSA-N 1 1 267.170 2.606 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(C)c(Br)cn1 ZINC000862349297 637325381 /nfs/dbraw/zinc/32/53/81/637325381.db2.gz WSOJGFVHUNGQMJ-SNVBAGLBSA-N 1 1 267.170 2.606 20 30 CFEDMO CCCCCCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000862355681 637329984 /nfs/dbraw/zinc/32/99/84/637329984.db2.gz MYFWVHHMJXJBCL-UHFFFAOYSA-N 1 1 286.379 2.968 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC[C@H](C)C2(C)C)C1 ZINC001015796995 651214068 /nfs/dbraw/zinc/21/40/68/651214068.db2.gz VNMYPEGECMSWMN-ZQIUZPCESA-N 1 1 278.440 2.825 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](Cc2ncc(C3OCCO3)s2)C1 ZINC000862440007 637379283 /nfs/dbraw/zinc/37/92/83/637379283.db2.gz DEACATKEPLVGEQ-LLVKDONJSA-N 1 1 280.393 2.587 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+](Cc2ncc(C3OCCO3)s2)C1 ZINC000862440007 637379293 /nfs/dbraw/zinc/37/92/93/637379293.db2.gz DEACATKEPLVGEQ-LLVKDONJSA-N 1 1 280.393 2.587 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C)o2)C1 ZINC000862442977 637381922 /nfs/dbraw/zinc/38/19/22/637381922.db2.gz JXBRQXDSXLHQGM-ZDUSSCGKSA-N 1 1 269.348 2.823 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(OCC)c2O)C1 ZINC000862444162 637383547 /nfs/dbraw/zinc/38/35/47/637383547.db2.gz YSUKHIFEVXTBNB-ZDUSSCGKSA-N 1 1 259.349 2.636 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000862443659 637384130 /nfs/dbraw/zinc/38/41/30/637384130.db2.gz RRMMYKZOEHWVJF-LBPRGKRZSA-N 1 1 291.778 2.956 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000862444427 637384646 /nfs/dbraw/zinc/38/46/46/637384646.db2.gz AABPQNXDQQPCAR-HNNXBMFYSA-N 1 1 265.360 2.718 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCC)cc2O)C1 ZINC000862445032 637385343 /nfs/dbraw/zinc/38/53/43/637385343.db2.gz KACRXTIWZSXHQJ-CYBMUJFWSA-N 1 1 259.349 2.636 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccnn2-c2ccccc2OC)C1 ZINC000862447328 637387209 /nfs/dbraw/zinc/38/72/09/637387209.db2.gz LQEIBQNJQURZDC-OAHLLOKOSA-N 1 1 295.386 2.726 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000862446569 637387801 /nfs/dbraw/zinc/38/78/01/637387801.db2.gz ARLDFBXZVGPZGE-LLVKDONJSA-N 1 1 294.192 3.000 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cncc(Br)c2C)C1 ZINC000862447584 637388193 /nfs/dbraw/zinc/38/81/93/637388193.db2.gz ORBWUZLKPOIUJM-GFCCVEGCSA-N 1 1 293.208 2.998 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2c(C)[nH]c(C(=O)OCC)c2C)C1 ZINC000862447912 637389113 /nfs/dbraw/zinc/38/91/13/637389113.db2.gz SELIRUHULZWQKS-CQSZACIVSA-N 1 1 288.391 2.653 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCc3c(O)cccc3C2)cc1 ZINC000862530068 637409501 /nfs/dbraw/zinc/40/95/01/637409501.db2.gz URARHBJPQBJYKJ-UHFFFAOYSA-N 1 1 293.366 2.963 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCc3c(O)cccc3C2)cc1 ZINC000862530068 637409507 /nfs/dbraw/zinc/40/95/07/637409507.db2.gz URARHBJPQBJYKJ-UHFFFAOYSA-N 1 1 293.366 2.963 20 30 CFEDMO CN(C)c1c(C=[NH+]N[C@@H]2CCOC2(C)C)ccc(F)c1F ZINC000863117817 637562778 /nfs/dbraw/zinc/56/27/78/637562778.db2.gz DHZRQWYXLKIKIF-GFCCVEGCSA-N 1 1 297.349 2.522 20 30 CFEDMO Cc1cccc(NN=Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000863161219 637575089 /nfs/dbraw/zinc/57/50/89/637575089.db2.gz ANQFMPAYDQIWSM-UHFFFAOYSA-N 1 1 298.390 2.776 20 30 CFEDMO C[C@@H]1C(=Nn2cccn2)CCC[N@@H+]1Cc1ccccc1 ZINC000863163775 637576104 /nfs/dbraw/zinc/57/61/04/637576104.db2.gz OVXZNPTWMGPPSZ-CQSZACIVSA-N 1 1 268.364 2.772 20 30 CFEDMO CC(C)[C@H](C=[NH+]n1cccn1)CNC(=O)OC(C)(C)C ZINC000863163848 637576160 /nfs/dbraw/zinc/57/61/60/637576160.db2.gz QUDKYBDAMJXHGN-LBPRGKRZSA-N 1 1 280.372 2.514 20 30 CFEDMO CC[N@H+]1CCC[C@H]1Cn1c(C)cc(C=Nn2cccn2)c1C ZINC000863166055 637577297 /nfs/dbraw/zinc/57/72/97/637577297.db2.gz QUHZRAOCJUBRSM-KRWDZBQOSA-N 1 1 299.422 2.668 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1Cc2c(cccc2OC)C1=O ZINC000863269766 637612790 /nfs/dbraw/zinc/61/27/90/637612790.db2.gz JHZHFDLCMMHLAK-OKILXGFUSA-N 1 1 298.386 2.792 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1Cc2c(cccc2OC)C1=O ZINC000863269766 637612794 /nfs/dbraw/zinc/61/27/94/637612794.db2.gz JHZHFDLCMMHLAK-OKILXGFUSA-N 1 1 298.386 2.792 20 30 CFEDMO CCCCCCC[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119531604 637703377 /nfs/dbraw/zinc/70/33/77/637703377.db2.gz AUJICTOPHOMCGN-HNNXBMFYSA-N 1 1 264.417 2.961 20 30 CFEDMO C#C[C@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC000863917977 637811188 /nfs/dbraw/zinc/81/11/88/637811188.db2.gz DIXKVUGVEXKMET-HNNXBMFYSA-N 1 1 290.794 2.615 20 30 CFEDMO NC(CCCc1ccccc1)=[NH+]OCC[C@H]1CCCO1 ZINC000189264393 650370602 /nfs/dbraw/zinc/37/06/02/650370602.db2.gz JBJXDLQPLBAXFY-OAHLLOKOSA-N 1 1 276.380 2.867 20 30 CFEDMO C=CC[N@@H+](CC[C@@H]1CCOC1=O)Cc1cccs1 ZINC000120036785 637960378 /nfs/dbraw/zinc/96/03/78/637960378.db2.gz ZLEIWERMKBHQMW-GFCCVEGCSA-N 1 1 265.378 2.689 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)s1)Cc1ccccc1O ZINC000120064174 637989445 /nfs/dbraw/zinc/98/94/45/637989445.db2.gz RTQPKZYCCHHQHV-UHFFFAOYSA-N 1 1 258.346 2.957 20 30 CFEDMO C=C[C@@H](C)[NH2+]Cc1nccc(C)c1Br ZINC000865489573 638374266 /nfs/dbraw/zinc/37/42/66/638374266.db2.gz FANQJKWCNYOABW-SECBINFHSA-N 1 1 255.159 2.817 20 30 CFEDMO CC[N@@H+](CCNc1cc(C(F)(F)F)cc(C#N)n1)C1CC1 ZINC000865499915 638380921 /nfs/dbraw/zinc/38/09/21/638380921.db2.gz RXMGXGRWFFDIAG-UHFFFAOYSA-N 1 1 298.312 2.868 20 30 CFEDMO C[N@H+]1CC[C@@H](CNc2c(Br)cccc2C#N)C1 ZINC000865505051 638383557 /nfs/dbraw/zinc/38/35/57/638383557.db2.gz AOMROYMVZYKHBD-JTQLQIEISA-N 1 1 294.196 2.684 20 30 CFEDMO CCCn1cc(C[NH2+][C@H]2CCCc3cc(C#N)ccc32)nn1 ZINC000865606212 638455832 /nfs/dbraw/zinc/45/58/32/638455832.db2.gz SZWAEKPKGOJLOI-KRWDZBQOSA-N 1 1 295.390 2.727 20 30 CFEDMO Cc1ccc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)o1 ZINC000865724010 638537025 /nfs/dbraw/zinc/53/70/25/638537025.db2.gz ZVADFKVHSDYNDY-UHFFFAOYSA-N 1 1 269.348 2.816 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1cccnc1C#N ZINC000866195236 638767893 /nfs/dbraw/zinc/76/78/93/638767893.db2.gz PTFHSXBSEFLACS-INIZCTEOSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1cccnc1C#N ZINC000866195236 638767896 /nfs/dbraw/zinc/76/78/96/638767896.db2.gz PTFHSXBSEFLACS-INIZCTEOSA-N 1 1 264.332 2.552 20 30 CFEDMO Cc1ccnc(NC[C@@H]2c3ccccc3C[N@H+]2C)c1C#N ZINC000866195284 638767959 /nfs/dbraw/zinc/76/79/59/638767959.db2.gz QUYDZWGSKBEOMI-MRXNPFEDSA-N 1 1 278.359 2.860 20 30 CFEDMO Cc1ccnc(NC[C@@H]2c3ccccc3C[N@@H+]2C)c1C#N ZINC000866195284 638767961 /nfs/dbraw/zinc/76/79/61/638767961.db2.gz QUYDZWGSKBEOMI-MRXNPFEDSA-N 1 1 278.359 2.860 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3cccc(Cl)c3C#N)CC[C@H]21 ZINC000866205144 638770118 /nfs/dbraw/zinc/77/01/18/638770118.db2.gz AVHNBAZDVYVBHT-SMDDNHRTSA-N 1 1 275.783 2.742 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3nc4ccccc4cc3C#N)CC[C@@H]21 ZINC000866204638 638770150 /nfs/dbraw/zinc/77/01/50/638770150.db2.gz FKXVSLKYJSZCAW-PBHICJAKSA-N 1 1 292.386 2.637 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3ncc(C#N)c4ccsc43)CC[C@@H]21 ZINC000866208686 638770923 /nfs/dbraw/zinc/77/09/23/638770923.db2.gz KRSWPYGYMWUSNF-RISCZKNCSA-N 1 1 298.415 2.698 20 30 CFEDMO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cccc(C#N)c1O ZINC000866227601 638774468 /nfs/dbraw/zinc/77/44/68/638774468.db2.gz AALCBCIRAWGEPZ-IAQYHMDHSA-N 1 1 296.374 2.726 20 30 CFEDMO Cc1cccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)n1 ZINC000866237181 638776976 /nfs/dbraw/zinc/77/69/76/638776976.db2.gz BLVPGXFSDGVSQW-GFCCVEGCSA-N 1 1 267.332 2.818 20 30 CFEDMO CCC[N@@H+](CC)CCNC(=O)c1ccc2c(C#N)c[nH]c2c1 ZINC000866301596 638792087 /nfs/dbraw/zinc/79/20/87/638792087.db2.gz PHHAOZZQSUOUFQ-UHFFFAOYSA-N 1 1 298.390 2.501 20 30 CFEDMO C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cccc(C#N)c1O ZINC000866632798 638858071 /nfs/dbraw/zinc/85/80/71/638858071.db2.gz BSEAPZOWGXBHLT-RISCZKNCSA-N 1 1 282.347 2.646 20 30 CFEDMO N#CCc1ccsc1C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000867962669 638909126 /nfs/dbraw/zinc/90/91/26/638909126.db2.gz FJRLHVSKOBXWAQ-UHFFFAOYSA-N 1 1 297.383 2.564 20 30 CFEDMO Cc1cc(C)c(COC(=O)C2(C#N)CCC2)c(C)[nH+]1 ZINC000869406897 639214345 /nfs/dbraw/zinc/21/43/45/639214345.db2.gz IECNCLMWVPIUQU-UHFFFAOYSA-N 1 1 258.321 2.744 20 30 CFEDMO C#CCCCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000869801698 639408201 /nfs/dbraw/zinc/40/82/01/639408201.db2.gz XIFZDXOZMKGRHK-AEFFLSMTSA-N 1 1 298.430 2.674 20 30 CFEDMO N#Cc1cc(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)co1 ZINC000870007136 639495482 /nfs/dbraw/zinc/49/54/82/639495482.db2.gz JEEJWUNKTLYDMO-OAHLLOKOSA-N 1 1 296.326 2.583 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000870124178 639523324 /nfs/dbraw/zinc/52/33/24/639523324.db2.gz UFRJYKFLFIHHGN-YJBOKZPZSA-N 1 1 299.418 2.832 20 30 CFEDMO N#CCSCC(=O)OC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000870732974 639797866 /nfs/dbraw/zinc/79/78/66/639797866.db2.gz LSERRURVBRLDNV-AWEZNQCLSA-N 1 1 296.436 2.583 20 30 CFEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192035910 650536112 /nfs/dbraw/zinc/53/61/12/650536112.db2.gz XYIOAKNADWJJEN-CYBMUJFWSA-N 1 1 278.396 2.734 20 30 CFEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192035910 650536117 /nfs/dbraw/zinc/53/61/17/650536117.db2.gz XYIOAKNADWJJEN-CYBMUJFWSA-N 1 1 278.396 2.734 20 30 CFEDMO C#CCCCC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000192118692 650541023 /nfs/dbraw/zinc/54/10/23/650541023.db2.gz CHFMEBIJVHKQNO-QGZVFWFLSA-N 1 1 290.451 2.951 20 30 CFEDMO C=CCC1(C(=O)OC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCC1 ZINC000192233037 650551268 /nfs/dbraw/zinc/55/12/68/650551268.db2.gz XUOGTURHKTXEPG-HNNXBMFYSA-N 1 1 295.423 2.633 20 30 CFEDMO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073299 641188127 /nfs/dbraw/zinc/18/81/27/641188127.db2.gz WXKIMJCOWUWIKF-SNVBAGLBSA-N 1 1 299.378 2.540 20 30 CFEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+](C)CC2CC2)cc1 ZINC000080048827 650640562 /nfs/dbraw/zinc/64/05/62/650640562.db2.gz OKFZRXFOYTXEFN-HNNXBMFYSA-N 1 1 299.418 2.972 20 30 CFEDMO Cc1ccc(SCCCN2CC[NH+](C)CC2)c(C#N)c1 ZINC000871687300 641404684 /nfs/dbraw/zinc/40/46/84/641404684.db2.gz XHMCVICGZTWTIT-UHFFFAOYSA-N 1 1 289.448 2.596 20 30 CFEDMO CC(C)[N@@H+](C)C[C@H](O)COc1c(C#N)ccc2ccccc21 ZINC000871994470 641545218 /nfs/dbraw/zinc/54/52/18/641545218.db2.gz UMBURTCXPVLLHL-INIZCTEOSA-N 1 1 298.386 2.791 20 30 CFEDMO N#Cc1csc(C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)n1 ZINC000872259329 641722416 /nfs/dbraw/zinc/72/24/16/641722416.db2.gz SIFAOCDXFDORTJ-CQSZACIVSA-N 1 1 291.420 2.938 20 30 CFEDMO N#Cc1csc(C[N@H+]2CCC[C@@H](OC3CCC3)CC2)n1 ZINC000872259329 641722422 /nfs/dbraw/zinc/72/24/22/641722422.db2.gz SIFAOCDXFDORTJ-CQSZACIVSA-N 1 1 291.420 2.938 20 30 CFEDMO C#CCCCCC[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872319137 641755461 /nfs/dbraw/zinc/75/54/61/641755461.db2.gz HGGYSLIPVBJTHO-UHFFFAOYSA-N 1 1 257.381 2.527 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C=[NH+]O[C@H]1CCCCO1 ZINC000872360192 641768572 /nfs/dbraw/zinc/76/85/72/641768572.db2.gz DGXVGNUHLOPRPW-HNNXBMFYSA-N 1 1 273.336 2.501 20 30 CFEDMO CC(C)[N@@H+]1CC(N=Nc2nc3ccncc3s2)[C@H](C)C1 ZINC000872412907 641800638 /nfs/dbraw/zinc/80/06/38/641800638.db2.gz OERGEETXLVSLQQ-SNVBAGLBSA-N 1 1 289.408 2.819 20 30 CFEDMO CSc1nnc(SC)n1[NH+]=CC1(SC)CCC1 ZINC000872417659 641803366 /nfs/dbraw/zinc/80/33/66/641803366.db2.gz JCYDISXTMQYMEQ-UHFFFAOYSA-N 1 1 288.467 2.842 20 30 CFEDMO CCC[C@@H](C)C=[NH+]n1c(SC)nnc1SC ZINC000872417696 641803447 /nfs/dbraw/zinc/80/34/47/641803447.db2.gz KUHPNWHXFZTJSC-MRVPVSSYSA-N 1 1 258.416 2.992 20 30 CFEDMO C=CC[C@H]1CCC[N@@H+](CN2C[C@@H]3CCCCN3C2=O)C1 ZINC000872624314 641878850 /nfs/dbraw/zinc/87/88/50/641878850.db2.gz LLGNSXBXLGCIGG-GJZGRUSLSA-N 1 1 277.412 2.522 20 30 CFEDMO C=CC[C@@H]1CCC[N@@H+](CN2C[C@@H]3CCCCN3C2=O)C1 ZINC000872624313 641878927 /nfs/dbraw/zinc/87/89/27/641878927.db2.gz LLGNSXBXLGCIGG-CABCVRRESA-N 1 1 277.412 2.522 20 30 CFEDMO CC[C@@]1(C)CC(=O)N(C[N@H+](C)CCc2cccc(C#N)c2)C1 ZINC000872705730 641905448 /nfs/dbraw/zinc/90/54/48/641905448.db2.gz XKXZMECAIKKTGP-SFHVURJKSA-N 1 1 299.418 2.639 20 30 CFEDMO CC[C@@]1(C)CC(=O)N(C[N@@H+](C)CCc2cccc(C#N)c2)C1 ZINC000872705730 641905451 /nfs/dbraw/zinc/90/54/51/641905451.db2.gz XKXZMECAIKKTGP-SFHVURJKSA-N 1 1 299.418 2.639 20 30 CFEDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1cc(C#N)nc2ccccc21 ZINC000872778456 641932226 /nfs/dbraw/zinc/93/22/26/641932226.db2.gz AMDCXYMJAIERLQ-DLBZAZTESA-N 1 1 292.386 2.779 20 30 CFEDMO C[N@H+]1CCC[C@@H]2[C@@H]1CCN2c1nc(C(C)(C)C)ccc1C#N ZINC000872780988 641935020 /nfs/dbraw/zinc/93/50/20/641935020.db2.gz OWOPUZYHZZVGAD-LSDHHAIUSA-N 1 1 298.434 2.924 20 30 CFEDMO C[C@H](NC[C@H]1Cc2ccccc2C[NH2+]1)c1cccc(C#N)c1 ZINC000873294248 642125470 /nfs/dbraw/zinc/12/54/70/642125470.db2.gz QYODXGSFDQPHGB-IFXJQAMLSA-N 1 1 291.398 2.923 20 30 CFEDMO C[C@H](NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(C#N)cc1 ZINC000873294457 642125488 /nfs/dbraw/zinc/12/54/88/642125488.db2.gz SUFMCFDIPVNRAH-LIRRHRJNSA-N 1 1 291.398 2.923 20 30 CFEDMO C=C(Br)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000125152002 642470696 /nfs/dbraw/zinc/47/06/96/642470696.db2.gz TXVUTWOGWVAUPT-SECBINFHSA-N 1 1 284.153 2.975 20 30 CFEDMO C#C[C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000874864111 642535653 /nfs/dbraw/zinc/53/56/53/642535653.db2.gz TWWVIMJMLIDABV-DJIMGWMZSA-N 1 1 284.403 2.598 20 30 CFEDMO CC(C)C[N@H+](CCC#N)Cc1cc(C#N)ccc1N(C)C ZINC000876529052 642906020 /nfs/dbraw/zinc/90/60/20/642906020.db2.gz DEZKTOBWOCDNBA-UHFFFAOYSA-N 1 1 284.407 2.996 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)Cc1cc(C#N)ccc1N(C)C ZINC000876529052 642906025 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233039887 /nfs/dbraw/zinc/03/98/87/233039887.db2.gz IFVYUOHMOMOWCY-WCQYABFASA-N 1 1 288.351 2.670 20 30 CFEDMO CC1(C)C[N@@H+](Cc2ccc(CC#N)cc2)CCCO1 ZINC000399057568 348568802 /nfs/dbraw/zinc/56/88/02/348568802.db2.gz XVXQSDZOEBWFLI-UHFFFAOYSA-N 1 1 258.365 2.754 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000451751664 348622506 /nfs/dbraw/zinc/62/25/06/348622506.db2.gz CHWDOJJJZUSVBK-CXAGYDPISA-N 1 1 257.443 2.964 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000491553543 348628545 /nfs/dbraw/zinc/62/85/45/348628545.db2.gz ARYIWBQGHTZHPJ-NSHDSACASA-N 1 1 279.405 2.879 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1SC ZINC000491553543 348628548 /nfs/dbraw/zinc/62/85/48/348628548.db2.gz ARYIWBQGHTZHPJ-NSHDSACASA-N 1 1 279.405 2.879 20 30 CFEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000584781381 348715632 /nfs/dbraw/zinc/71/56/32/348715632.db2.gz MHVDPPXOGKCABZ-IVMMDQJWSA-N 1 1 295.390 2.754 20 30 CFEDMO CCc1ccc([C@H](C#N)NC(=O)C[N@H+]2CCC(C)(C)C2)cc1 ZINC000584790469 348716595 /nfs/dbraw/zinc/71/65/95/348716595.db2.gz PMCNCTCPHKVCEF-INIZCTEOSA-N 1 1 299.418 2.662 20 30 CFEDMO C=CCCCN(C)C(=O)N[C@H](C)C[N@H+](C)CCCC ZINC000582155118 348674901 /nfs/dbraw/zinc/67/49/01/348674901.db2.gz JXZJNHGUWZHHGK-CQSZACIVSA-N 1 1 269.433 2.714 20 30 CFEDMO Cc1[nH+]ccn1CCCNC(=O)CC1(C#N)CCCCC1 ZINC000596874518 350000395 /nfs/dbraw/zinc/00/03/95/350000395.db2.gz NFSBGPIZNYVDRK-UHFFFAOYSA-N 1 1 288.395 2.562 20 30 CFEDMO Cc1c(Cl)cnc(N[C@@H]2CCc3c[nH+]cn3C2)c1C#N ZINC000588067700 348770055 /nfs/dbraw/zinc/77/00/55/348770055.db2.gz JXTJZLSHVOJVLS-SNVBAGLBSA-N 1 1 287.754 2.539 20 30 CFEDMO C[C@@H](CNC(=O)CCCCCC#N)[N@H+]1CCCC[C@@H]1C ZINC000588150465 348773216 /nfs/dbraw/zinc/77/32/16/348773216.db2.gz VQLQZDLGRVCLKZ-GJZGRUSLSA-N 1 1 279.428 2.840 20 30 CFEDMO N#CCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000588147462 348773552 /nfs/dbraw/zinc/77/35/52/348773552.db2.gz NTIXTWZZUNZGCF-QGZVFWFLSA-N 1 1 299.418 2.851 20 30 CFEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)CCCCCC#N)C1 ZINC000588634641 348788500 /nfs/dbraw/zinc/78/85/00/348788500.db2.gz QELODEHKPHXGLP-INIZCTEOSA-N 1 1 291.439 2.651 20 30 CFEDMO C[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1cccc(C#N)c1 ZINC000588628988 348788721 /nfs/dbraw/zinc/78/87/21/348788721.db2.gz TUSPINPQOZPYKB-WMLDXEAASA-N 1 1 299.418 3.000 20 30 CFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCCCC#N ZINC000588637050 348788986 /nfs/dbraw/zinc/78/89/86/348788986.db2.gz NOWFPMKYIDICRR-CABCVRRESA-N 1 1 277.412 2.546 20 30 CFEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)CCCCCC#N)C1 ZINC000588644287 348789604 /nfs/dbraw/zinc/78/96/04/348789604.db2.gz NUGOJGLCZVYQDT-HNNXBMFYSA-N 1 1 279.428 2.555 20 30 CFEDMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CCCCCC#N)C1 ZINC000588655636 348790479 /nfs/dbraw/zinc/79/04/79/348790479.db2.gz RXTUADHSHUDDBH-INIZCTEOSA-N 1 1 293.455 2.945 20 30 CFEDMO CN(CCC#N)C(=O)CC[N@@H+](C)C(C)(C)c1ccccc1 ZINC000585754403 348742871 /nfs/dbraw/zinc/74/28/71/348742871.db2.gz 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C[C@H]1c2ccc(F)cc2CC[N@@H+]1CCOCCC#N ZINC000590161277 348880697 /nfs/dbraw/zinc/88/06/97/348880697.db2.gz ZMSYCYIVHABDEA-LBPRGKRZSA-N 1 1 262.328 2.675 20 30 CFEDMO Cc1nc(C(C)C)ccc1C[NH+]1CCN(CCC#N)CC1 ZINC000590168891 348882009 /nfs/dbraw/zinc/88/20/09/348882009.db2.gz UXUAEFHZVXZKBC-UHFFFAOYSA-N 1 1 286.423 2.545 20 30 CFEDMO Cc1cc(C#N)ccc1CN1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000590744831 348940956 /nfs/dbraw/zinc/94/09/56/348940956.db2.gz QODPTGUUWQZALQ-AWEZNQCLSA-N 1 1 283.419 2.783 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000590744831 348940959 /nfs/dbraw/zinc/94/09/59/348940959.db2.gz QODPTGUUWQZALQ-AWEZNQCLSA-N 1 1 283.419 2.783 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000590744831 348940962 /nfs/dbraw/zinc/94/09/62/348940962.db2.gz QODPTGUUWQZALQ-AWEZNQCLSA-N 1 1 283.419 2.783 20 30 CFEDMO C[C@]12C[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000590765078 348944606 /nfs/dbraw/zinc/94/46/06/348944606.db2.gz 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FVOVNMMJIWYNIS-LSDHHAIUSA-N 1 1 262.328 2.627 20 30 CFEDMO CC(C)Cc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592152153 349092535 /nfs/dbraw/zinc/09/25/35/349092535.db2.gz VBIBKHSXSMOKRC-QGZVFWFLSA-N 1 1 272.392 2.736 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CC[C@H](C(=O)NCc2ccccc2)C1 ZINC000592154007 349092676 /nfs/dbraw/zinc/09/26/76/349092676.db2.gz FSEIGPKRNAMYDD-INIZCTEOSA-N 1 1 299.418 2.565 20 30 CFEDMO C[C@@H]1CC2(C[N@H+]1CCC(C)(C)C#N)CCOCC2 ZINC000592184389 349096366 /nfs/dbraw/zinc/09/63/66/349096366.db2.gz PIBNJSHEYUFWQO-CYBMUJFWSA-N 1 1 250.386 2.817 20 30 CFEDMO CC[N@@H+](CCSC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000592198905 349098127 /nfs/dbraw/zinc/09/81/27/349098127.db2.gz LXTOAKTZKCKZJJ-LBPRGKRZSA-N 1 1 291.420 2.570 20 30 CFEDMO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C)o1)C[C@@H](C)C#N ZINC000592498033 349127691 /nfs/dbraw/zinc/12/76/91/349127691.db2.gz JPZQJACIQGBOKE-LBPRGKRZSA-N 1 1 286.379 2.970 20 30 CFEDMO CC[N@H+](Cc1cn(C)nc1-c1ccc(C)o1)C[C@@H](C)C#N ZINC000592498033 349127695 /nfs/dbraw/zinc/12/76/95/349127695.db2.gz JPZQJACIQGBOKE-LBPRGKRZSA-N 1 1 286.379 2.970 20 30 CFEDMO CCC[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCN(C)C1 ZINC000592520121 349131473 /nfs/dbraw/zinc/13/14/73/349131473.db2.gz FUXJEHVNKGNNGL-OAHLLOKOSA-N 1 1 275.371 2.613 20 30 CFEDMO CCCN(Cc1ccc(C#N)c(F)c1)[C@@H]1CC[N@H+](C)C1 ZINC000592520121 349131480 /nfs/dbraw/zinc/13/14/80/349131480.db2.gz FUXJEHVNKGNNGL-OAHLLOKOSA-N 1 1 275.371 2.613 20 30 CFEDMO CCCN(Cc1ccc(C#N)c(F)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000592520121 349131484 /nfs/dbraw/zinc/13/14/84/349131484.db2.gz FUXJEHVNKGNNGL-OAHLLOKOSA-N 1 1 275.371 2.613 20 30 CFEDMO CCC[C@@H](C[N@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592522233 349132447 /nfs/dbraw/zinc/13/24/47/349132447.db2.gz JPXXVLSASSICEY-DLBZAZTESA-N 1 1 272.392 2.921 20 30 CFEDMO C[C@H](CCc1ccccc1)C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523304 349134029 /nfs/dbraw/zinc/13/40/29/349134029.db2.gz YAXLUGXBAAKWCQ-WBVHZDCISA-N 1 1 272.392 2.606 20 30 CFEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCN1C ZINC000592998848 349183713 /nfs/dbraw/zinc/18/37/13/349183713.db2.gz FXJKJTHZFRJUIL-QGZVFWFLSA-N 1 1 271.408 2.864 20 30 CFEDMO CCCN(Cc1ccc(C#N)cc1)C[C@H]1CCC[N@@H+]1C ZINC000592998848 349183715 /nfs/dbraw/zinc/18/37/15/349183715.db2.gz FXJKJTHZFRJUIL-QGZVFWFLSA-N 1 1 271.408 2.864 20 30 CFEDMO CCCN(Cc1ccc(C#N)cc1)C[C@H]1CCC[N@H+]1C ZINC000592998848 349183719 /nfs/dbraw/zinc/18/37/19/349183719.db2.gz FXJKJTHZFRJUIL-QGZVFWFLSA-N 1 1 271.408 2.864 20 30 CFEDMO Cc1cncc(CC[N@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)n1 ZINC000593030206 349190518 /nfs/dbraw/zinc/19/05/18/349190518.db2.gz KZDZPFHTFDYEPO-AEFFLSMTSA-N 1 1 292.386 2.567 20 30 CFEDMO Cc1cncc(CC[N@@H+]2C[C@@H](c3ccccc3)[C@H](C#N)C2)n1 ZINC000593030206 349190522 /nfs/dbraw/zinc/19/05/22/349190522.db2.gz KZDZPFHTFDYEPO-AEFFLSMTSA-N 1 1 292.386 2.567 20 30 CFEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C[C@H](C)C#N)C1CC1 ZINC000592780522 349165796 /nfs/dbraw/zinc/16/57/96/349165796.db2.gz ZXNYZMFIMCLUGE-OLZOCXBDSA-N 1 1 288.395 2.547 20 30 CFEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000592787546 349166472 /nfs/dbraw/zinc/16/64/72/349166472.db2.gz PQFROCLKOPUVTD-BBRMVZONSA-N 1 1 288.395 2.549 20 30 CFEDMO CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@](C)(C#N)C1 ZINC000592787552 349166780 /nfs/dbraw/zinc/16/67/80/349166780.db2.gz PQFROCLKOPUVTD-XJKSGUPXSA-N 1 1 288.395 2.549 20 30 CFEDMO C[C@@H]1[C@H](C(=O)N[C@@H](CCCC#N)c2ccccc2)CC[N@H+]1C ZINC000592800581 349167117 /nfs/dbraw/zinc/16/71/17/349167117.db2.gz IFWBZVWIKBQIEQ-OIISXLGYSA-N 1 1 299.418 2.878 20 30 CFEDMO CC(C)N(C(=O)[C@H](C)C#N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592870022 349173601 /nfs/dbraw/zinc/17/36/01/349173601.db2.gz BTUCBHHZFACIHY-NVXWUHKLSA-N 1 1 299.418 2.658 20 30 CFEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@@H+]1CCC12CCCC2 ZINC000593038019 349191676 /nfs/dbraw/zinc/19/16/76/349191676.db2.gz HBVWEMSNEVFHGF-UHFFFAOYSA-N 1 1 271.320 2.985 20 30 CFEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1CCC12CCCC2 ZINC000593038019 349191679 /nfs/dbraw/zinc/19/16/79/349191679.db2.gz HBVWEMSNEVFHGF-UHFFFAOYSA-N 1 1 271.320 2.985 20 30 CFEDMO COc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1C#N ZINC000593118810 349214334 /nfs/dbraw/zinc/21/43/34/349214334.db2.gz SLDXMHKXUZSRNO-AWEZNQCLSA-N 1 1 278.302 2.798 20 30 CFEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593119340 349215186 /nfs/dbraw/zinc/21/51/86/349215186.db2.gz VZXGZFIGURYFBN-CYBMUJFWSA-N 1 1 266.266 2.928 20 30 CFEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593119340 349215189 /nfs/dbraw/zinc/21/51/89/349215189.db2.gz VZXGZFIGURYFBN-CYBMUJFWSA-N 1 1 266.266 2.928 20 30 CFEDMO Cc1[nH+]ccn1CCCCN1Cc2cccc(C#N)c2C1 ZINC000593126615 349216966 /nfs/dbraw/zinc/21/69/66/349216966.db2.gz LDGHQEDFCRMCJQ-UHFFFAOYSA-N 1 1 280.375 2.859 20 30 CFEDMO CC[N@@H+](CCCNC(=O)C1(C#N)CCC1)C1CCCCC1 ZINC000593252409 349235651 /nfs/dbraw/zinc/23/56/51/349235651.db2.gz ZESIASITGKOCFT-UHFFFAOYSA-N 1 1 291.439 2.841 20 30 CFEDMO CC[C@@H]1COC(C)(C)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000593058111 349197438 /nfs/dbraw/zinc/19/74/38/349197438.db2.gz JMCVTLDZLPBVSJ-OAHLLOKOSA-N 1 1 294.439 2.976 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000593091856 349206860 /nfs/dbraw/zinc/20/68/60/349206860.db2.gz NEWQWVHEXBOMGN-GJZGRUSLSA-N 1 1 297.439 2.900 20 30 CFEDMO CC(C)C[N@@H+](C)CCCNCc1ccc(C#N)cc1 ZINC000593645309 349302933 /nfs/dbraw/zinc/30/29/33/349302933.db2.gz HOMBTLUVVTZNFA-UHFFFAOYSA-N 1 1 259.397 2.626 20 30 CFEDMO CC[C@H](C#N)C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000593604208 349297272 /nfs/dbraw/zinc/29/72/72/349297272.db2.gz ISAOLYNTVDXUTQ-IAGOWNOFSA-N 1 1 299.418 2.659 20 30 CFEDMO CC[C@@H](C#N)C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000593604209 349297284 /nfs/dbraw/zinc/29/72/84/349297284.db2.gz ISAOLYNTVDXUTQ-IRXDYDNUSA-N 1 1 299.418 2.659 20 30 CFEDMO CC[C@H](C#N)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000593602520 349297396 /nfs/dbraw/zinc/29/73/96/349297396.db2.gz VKBDMVHWWOACMR-IAGOWNOFSA-N 1 1 299.418 2.659 20 30 CFEDMO CC[C@H](C#N)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000593602520 349297398 /nfs/dbraw/zinc/29/73/98/349297398.db2.gz VKBDMVHWWOACMR-IAGOWNOFSA-N 1 1 299.418 2.659 20 30 CFEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC(C)C)C(=O)OC)C1 ZINC000593615599 349299723 /nfs/dbraw/zinc/29/97/23/349299723.db2.gz BTYAFLUKADKXQY-HZSPNIEDSA-N 1 1 253.386 2.909 20 30 CFEDMO CC[N@@H+](CCCNC(=O)NCCCC#N)C1CCCCC1 ZINC000593390308 349258904 /nfs/dbraw/zinc/25/89/04/349258904.db2.gz BEIFMUSDPBDPFY-UHFFFAOYSA-N 1 1 294.443 2.634 20 30 CFEDMO CC(C)C[N@@H+](C)CCCNC(=O)NCC(C)(C)CCC#N ZINC000593405291 349261257 /nfs/dbraw/zinc/26/12/57/349261257.db2.gz LDWVEFXAMKZDAG-UHFFFAOYSA-N 1 1 296.459 2.593 20 30 CFEDMO N#Cc1ccc(C2([NH2+]Cc3ccno3)CCC2)cc1 ZINC000594032032 349357231 /nfs/dbraw/zinc/35/72/31/349357231.db2.gz AQFKHCCJFCWJRC-UHFFFAOYSA-N 1 1 253.305 2.715 20 30 CFEDMO N#CCCCC[C@H]([NH3+])c1nc(Cc2ccccc2)no1 ZINC000593943756 349337215 /nfs/dbraw/zinc/33/72/15/349337215.db2.gz NRRHQDHFQAQRRB-ZDUSSCGKSA-N 1 1 270.336 2.744 20 30 CFEDMO CN(C)c1cc[nH+]c(NCc2ccc(C(C)(C)C#N)cc2)n1 ZINC000593945326 349338135 /nfs/dbraw/zinc/33/81/35/349338135.db2.gz VFGWSSADDMYOHY-UHFFFAOYSA-N 1 1 295.390 2.956 20 30 CFEDMO CC(C)C[N@@H+](CC[C@H]1CCNC1=O)Cc1ccc(C#N)cc1 ZINC000593951501 349338622 /nfs/dbraw/zinc/33/86/22/349338622.db2.gz BLXFRGSSJWAZEE-QGZVFWFLSA-N 1 1 299.418 2.542 20 30 CFEDMO COc1ccc(OC)c(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593649427 349303670 /nfs/dbraw/zinc/30/36/70/349303670.db2.gz CNBTYYHDSYTNGX-UHFFFAOYSA-N 1 1 274.364 2.877 20 30 CFEDMO COc1cc(C[NH2+]CC2(C#N)CCCC2)cc2c1OCO2 ZINC000593649355 349304000 /nfs/dbraw/zinc/30/40/00/349304000.db2.gz AYIDDYOHBJBUJE-UHFFFAOYSA-N 1 1 288.347 2.597 20 30 CFEDMO CC(C)Cn1nccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593654517 349305235 /nfs/dbraw/zinc/30/52/35/349305235.db2.gz ZWYAGOQVMAIBEF-UHFFFAOYSA-N 1 1 260.385 2.713 20 30 CFEDMO CC[C@@H](C#N)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000593676629 349308376 /nfs/dbraw/zinc/30/83/76/349308376.db2.gz MOJHYUHLXJTJGY-JTQLQIEISA-N 1 1 279.771 2.890 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)s1 ZINC000593696888 349311621 /nfs/dbraw/zinc/31/16/21/349311621.db2.gz IHDOLTJKVSRXEO-NSHDSACASA-N 1 1 254.305 2.851 20 30 CFEDMO CN(CC[N@@H+](C)C1CCCCC1)C(=O)CCCCC#N ZINC000594255919 349400717 /nfs/dbraw/zinc/40/07/17/349400717.db2.gz PYNBFOLRVIALJZ-UHFFFAOYSA-N 1 1 279.428 2.793 20 30 CFEDMO CC[C@H](C#N)N(C)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000594083887 349370580 /nfs/dbraw/zinc/37/05/80/349370580.db2.gz LKYYJMCDCFKGEY-ZIAGYGMSSA-N 1 1 293.798 2.703 20 30 CFEDMO C[N@H+]1CC[C@@H](NC(=O)CCCCC#N)[C@@H]1c1ccccc1 ZINC000594333151 349408469 /nfs/dbraw/zinc/40/84/69/349408469.db2.gz WFKCZXQSZPMUEB-WBVHZDCISA-N 1 1 285.391 2.632 20 30 CFEDMO Cc1cc(NC(=O)N2CCC[C@@H](CC#N)C2)cn2cc[nH+]c12 ZINC000596923637 350006495 /nfs/dbraw/zinc/00/64/95/350006495.db2.gz OMFJWWBQUNIPIT-ZDUSSCGKSA-N 1 1 297.362 2.800 20 30 CFEDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CC1 ZINC000597116388 350031764 /nfs/dbraw/zinc/03/17/64/350031764.db2.gz PEHVBGUTCBQYIB-KRWDZBQOSA-N 1 1 284.403 2.979 20 30 CFEDMO C[N@H+](Cc1ccnn1CC1CC1)Cc1cccc(C#N)c1 ZINC000596979016 350011703 /nfs/dbraw/zinc/01/17/03/350011703.db2.gz DRALBZPRSAFVPA-UHFFFAOYSA-N 1 1 280.375 2.797 20 30 CFEDMO C[N@@H+](Cc1ccnn1CC1CC1)Cc1cccc(C#N)c1 ZINC000596979016 350011706 /nfs/dbraw/zinc/01/17/06/350011706.db2.gz DRALBZPRSAFVPA-UHFFFAOYSA-N 1 1 280.375 2.797 20 30 CFEDMO CN(Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000596996250 350014292 /nfs/dbraw/zinc/01/42/92/350014292.db2.gz PDXBVDGBAZEPQO-GOSISDBHSA-N 1 1 295.430 2.910 20 30 CFEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000596996250 350014295 /nfs/dbraw/zinc/01/42/95/350014295.db2.gz PDXBVDGBAZEPQO-GOSISDBHSA-N 1 1 295.430 2.910 20 30 CFEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)[C@@H]1CCN(C2CC2)C1 ZINC000596996250 350014299 /nfs/dbraw/zinc/01/42/99/350014299.db2.gz PDXBVDGBAZEPQO-GOSISDBHSA-N 1 1 295.430 2.910 20 30 CFEDMO CC(C)CCN(CCC#N)Cc1c[nH+]c2n1CCC2 ZINC000596995838 350014601 /nfs/dbraw/zinc/01/46/01/350014601.db2.gz LZPBBHMYVHBQDC-UHFFFAOYSA-N 1 1 260.385 2.591 20 30 CFEDMO C[C@@H]1COCCC[N@H+]1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597007268 350015309 /nfs/dbraw/zinc/01/53/09/350015309.db2.gz BNRJSHMOXRVIFF-CQSZACIVSA-N 1 1 270.376 2.853 20 30 CFEDMO N#CC1(c2ccc(C[N@H+]3CCOCC4(CC4)C3)cc2)CC1 ZINC000597081969 350026350 /nfs/dbraw/zinc/02/63/50/350026350.db2.gz KEUJHIVEHSVZDL-UHFFFAOYSA-N 1 1 282.387 2.854 20 30 CFEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc(C2(C#N)CC2)cc1 ZINC000597090005 350029236 /nfs/dbraw/zinc/02/92/36/350029236.db2.gz ZNBQIJGXKBHPKM-HUUCEWRRSA-N 1 1 283.419 2.766 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)CN1C ZINC000597090005 350029238 /nfs/dbraw/zinc/02/92/38/350029238.db2.gz ZNBQIJGXKBHPKM-HUUCEWRRSA-N 1 1 283.419 2.766 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@H](C)CN1C ZINC000597090005 350029240 /nfs/dbraw/zinc/02/92/40/350029240.db2.gz ZNBQIJGXKBHPKM-HUUCEWRRSA-N 1 1 283.419 2.766 20 30 CFEDMO C[N@H+](Cc1cnc2ccc(C#N)cn12)C[C@H]1CC1(C)C ZINC000597253480 350073156 /nfs/dbraw/zinc/07/31/56/350073156.db2.gz BMRSPNPSGDYSPY-CYBMUJFWSA-N 1 1 268.364 2.684 20 30 CFEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597130969 350035542 /nfs/dbraw/zinc/03/55/42/350035542.db2.gz UGZVMWCBLYRICF-IYBDPMFKSA-N 1 1 270.376 2.851 20 30 CFEDMO C[N@@H+](Cc1ccc(C2(C#N)CC2)cc1)CC(C)(C)CO ZINC000597135550 350036265 /nfs/dbraw/zinc/03/62/65/350036265.db2.gz GIGXUGHUAPXZAP-UHFFFAOYSA-N 1 1 272.392 2.692 20 30 CFEDMO CCOC1(C)C[NH+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597146675 350038678 /nfs/dbraw/zinc/03/86/78/350038678.db2.gz NTEYXUVNJRPISM-UHFFFAOYSA-N 1 1 270.376 2.853 20 30 CFEDMO C[N@@H+](CCNC(=O)CC1(C#N)CCCCC1)C1CCCC1 ZINC000597161496 350042692 /nfs/dbraw/zinc/04/26/92/350042692.db2.gz LRIJVQOXOSSBEF-UHFFFAOYSA-N 1 1 291.439 2.841 20 30 CFEDMO COc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc2c1OCO2 ZINC000597172508 350043755 /nfs/dbraw/zinc/04/37/55/350043755.db2.gz BQYAPERTICAVAY-LBPRGKRZSA-N 1 1 288.347 2.550 20 30 CFEDMO COc1cc(C[N@H+]2CCC[C@@H](CC#N)C2)cc2c1OCO2 ZINC000597172508 350043758 /nfs/dbraw/zinc/04/37/58/350043758.db2.gz BQYAPERTICAVAY-LBPRGKRZSA-N 1 1 288.347 2.550 20 30 CFEDMO Cn1ncc(C2CCC2)c1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597176712 350044448 /nfs/dbraw/zinc/04/44/48/350044448.db2.gz JKAFGVGTTZNGSW-CYBMUJFWSA-N 1 1 272.396 2.813 20 30 CFEDMO Cn1ncc(C2CCC2)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000597176713 350044479 /nfs/dbraw/zinc/04/44/79/350044479.db2.gz JKAFGVGTTZNGSW-ZDUSSCGKSA-N 1 1 272.396 2.813 20 30 CFEDMO CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H](CC#N)C1 ZINC000597176139 350044707 /nfs/dbraw/zinc/04/47/07/350044707.db2.gz FTIAVONGBMLQDZ-CQSZACIVSA-N 1 1 271.364 2.771 20 30 CFEDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC000597178114 350045378 /nfs/dbraw/zinc/04/53/78/350045378.db2.gz VSYCYXKEWTUFAN-AWEZNQCLSA-N 1 1 272.396 2.663 20 30 CFEDMO N#CCC1C[NH+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000597203519 350054103 /nfs/dbraw/zinc/05/41/03/350054103.db2.gz JELMEORPQMNQQS-UHFFFAOYSA-N 1 1 261.712 2.827 20 30 CFEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(CC#N)C1 ZINC000597202903 350054120 /nfs/dbraw/zinc/05/41/20/350054120.db2.gz FHAYWWUCXZHECQ-KPKJPENVSA-N 1 1 271.320 2.844 20 30 CFEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C)CC#N)C1 ZINC000597205817 350055311 /nfs/dbraw/zinc/05/53/11/350055311.db2.gz KAEDWFQDNAWBRF-UONOGXRCSA-N 1 1 279.428 2.553 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)o1 ZINC000597225074 350062607 /nfs/dbraw/zinc/06/26/07/350062607.db2.gz NAVRECNMLFPHOF-CZUORRHYSA-N 1 1 274.364 2.932 20 30 CFEDMO C[C@@]1(C#N)CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000597233028 350066622 /nfs/dbraw/zinc/06/66/22/350066622.db2.gz ZLPRMTJLQQRWTJ-KRWDZBQOSA-N 1 1 270.376 2.790 20 30 CFEDMO C[C@@H](CC#N)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000597539448 350109947 /nfs/dbraw/zinc/10/99/47/350109947.db2.gz SGQUNNFXVJVVKN-YJBOKZPZSA-N 1 1 299.418 2.707 20 30 CFEDMO C[C@@H](Cc1cnc[nH]1)C(=O)NC(C)(C)c1cccc(C#N)c1 ZINC000597944650 350159897 /nfs/dbraw/zinc/15/98/97/350159897.db2.gz CUWFPWVNVZJBGU-LBPRGKRZSA-N 1 1 296.374 2.511 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)c2snc(Cl)c2C#N)[C@@H](C)C1 ZINC000271277628 191045743 /nfs/dbraw/zinc/04/57/43/191045743.db2.gz FRLGXIDUWZQULT-GXSJLCMTSA-N 1 1 298.843 2.835 20 30 CFEDMO C=CCCC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000091630662 180210172 /nfs/dbraw/zinc/21/01/72/180210172.db2.gz BMBCAQUOTYIBKV-CYBMUJFWSA-N 1 1 260.385 2.759 20 30 CFEDMO N#CCCCCCC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000598508556 350278509 /nfs/dbraw/zinc/27/85/09/350278509.db2.gz CRDWNWJXEUPFDX-QGZVFWFLSA-N 1 1 299.418 2.851 20 30 CFEDMO C[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1CO ZINC000598645514 350300766 /nfs/dbraw/zinc/30/07/66/350300766.db2.gz FUHCEYUTFDKEJY-ZIAGYGMSSA-N 1 1 252.402 2.657 20 30 CFEDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000598647953 350301491 /nfs/dbraw/zinc/30/14/91/350301491.db2.gz NJKFARWIHVBZKE-HNNXBMFYSA-N 1 1 258.365 2.541 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1(C#N)CCCCC1 ZINC000598772761 350327067 /nfs/dbraw/zinc/32/70/67/350327067.db2.gz FQQPUFSSIHEXGW-OAHLLOKOSA-N 1 1 291.439 2.841 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C[C@@H]1CO ZINC000598676808 350308085 /nfs/dbraw/zinc/30/80/85/350308085.db2.gz LCNHMMUSNNXARI-GOEBONIOSA-N 1 1 284.403 2.692 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000598585739 350285998 /nfs/dbraw/zinc/28/59/98/350285998.db2.gz KMEKPMGRMBWIEA-HUUCEWRRSA-N 1 1 264.413 2.942 20 30 CFEDMO CC(C)[N@H+](Cc1ccco1)C[C@@H](O)CC(C)(C)C#N ZINC000598587315 350286502 /nfs/dbraw/zinc/28/65/02/350286502.db2.gz PMDOFRUJUAPYNN-ZDUSSCGKSA-N 1 1 264.369 2.791 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598587717 350287325 /nfs/dbraw/zinc/28/73/25/350287325.db2.gz UEKDHPZBYKJAOZ-MRXNPFEDSA-N 1 1 272.392 2.975 20 30 CFEDMO CCC[C@@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598592043 350288375 /nfs/dbraw/zinc/28/83/75/350288375.db2.gz CWTNHXNOBCLCBH-ZIAGYGMSSA-N 1 1 252.402 2.799 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000598592275 350288488 /nfs/dbraw/zinc/28/84/88/350288488.db2.gz IQYAPEWFVUJNGE-IAGOWNOFSA-N 1 1 286.419 2.852 20 30 CFEDMO C[C@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)CC12CCC2 ZINC000598598550 350289798 /nfs/dbraw/zinc/28/97/98/350289798.db2.gz AZQYQJUSPRXXJJ-UONOGXRCSA-N 1 1 264.413 2.799 20 30 CFEDMO C[C@@H]1C[C@H](C)CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598598102 350289896 /nfs/dbraw/zinc/28/98/96/350289896.db2.gz ZTJWQHQAEUNGEW-MGPQQGTHSA-N 1 1 252.402 2.655 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccncc1 ZINC000598598143 350289971 /nfs/dbraw/zinc/28/99/71/350289971.db2.gz ATIKVFQXPGIBAG-LSDHHAIUSA-N 1 1 273.380 2.519 20 30 CFEDMO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598596780 350290082 /nfs/dbraw/zinc/29/00/82/350290082.db2.gz TVKYKBJWBBFULM-QPSCCSFWSA-N 1 1 264.413 2.940 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000598597082 350290289 /nfs/dbraw/zinc/29/02/89/350290289.db2.gz VUJOGGUPDNJJCL-JKSUJKDBSA-N 1 1 294.439 2.711 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000598606616 350292816 /nfs/dbraw/zinc/29/28/16/350292816.db2.gz IJOMOQMQBZRLCF-CQSZACIVSA-N 1 1 294.439 2.711 20 30 CFEDMO C[C@@H]1[C@H](C(F)(F)F)CC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598613179 350293737 /nfs/dbraw/zinc/29/37/37/350293737.db2.gz HFGJXLFNIMNAQR-OUAUKWLOSA-N 1 1 278.318 2.560 20 30 CFEDMO C[C@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)Cc2ccccc2O1 ZINC000598618948 350294980 /nfs/dbraw/zinc/29/49/80/350294980.db2.gz SPDVKXDDEWISKR-ZFWWWQNUSA-N 1 1 288.391 2.570 20 30 CFEDMO CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CC(C)(C)C1 ZINC000598620403 350295266 /nfs/dbraw/zinc/29/52/66/350295266.db2.gz DLCWUJHNODKZQN-CYBMUJFWSA-N 1 1 252.402 2.798 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000598620453 350295413 /nfs/dbraw/zinc/29/54/13/350295413.db2.gz AGJSBCCOVRSVDS-NEPJUHHUSA-N 1 1 292.345 2.952 20 30 CFEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCc2ccccc21 ZINC000598622849 350295520 /nfs/dbraw/zinc/29/55/20/350295520.db2.gz OBFYKQDUTJOYBH-ZBFHGGJFSA-N 1 1 286.419 2.949 20 30 CFEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CC2(CCCCC2)O1 ZINC000598622418 350295527 /nfs/dbraw/zinc/29/55/27/350295527.db2.gz JVYVPEMABVQYAR-CABCVRRESA-N 1 1 294.439 2.711 20 30 CFEDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(C#N)o2)C12CCC2 ZINC000092040956 180311370 /nfs/dbraw/zinc/31/13/70/180311370.db2.gz NSSAIJYQMXPSER-LSDHHAIUSA-N 1 1 274.364 2.931 20 30 CFEDMO N#CCCCCNc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000599041945 350363642 /nfs/dbraw/zinc/36/36/42/350363642.db2.gz ZVLVANUXQJMPNL-UHFFFAOYSA-N 1 1 293.374 2.524 20 30 CFEDMO C[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000599071783 350371054 /nfs/dbraw/zinc/37/10/54/350371054.db2.gz SWIKSMHOZHEHNP-GDBMZVCRSA-N 1 1 271.408 2.941 20 30 CFEDMO C[C@@H](NC[C@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000599071783 350371057 /nfs/dbraw/zinc/37/10/57/350371057.db2.gz SWIKSMHOZHEHNP-GDBMZVCRSA-N 1 1 271.408 2.941 20 30 CFEDMO CCC(C#N)(CC)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000599081889 350372296 /nfs/dbraw/zinc/37/22/96/350372296.db2.gz VWBNHKKLOYMPHV-GASCZTMLSA-N 1 1 293.455 2.801 20 30 CFEDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599278065 350405431 /nfs/dbraw/zinc/40/54/31/350405431.db2.gz WKOCXWQKOBVCHM-INIZCTEOSA-N 1 1 299.418 2.605 20 30 CFEDMO C[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599267332 350402714 /nfs/dbraw/zinc/40/27/14/350402714.db2.gz VORKYHNWLMOQBO-PMPSAXMXSA-N 1 1 294.439 2.568 20 30 CFEDMO CCC(CC)C[N@@H+](CC)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599266186 350403292 /nfs/dbraw/zinc/40/32/92/350403292.db2.gz ZZHPWOVZOZXNBU-INIZCTEOSA-N 1 1 296.455 2.816 20 30 CFEDMO Cc1ccc(C[N@@H+](C)C[C@@H](O)Cc2ccccc2)cc1C#N ZINC000599426833 350434680 /nfs/dbraw/zinc/43/46/80/350434680.db2.gz RTZFMXUCBGVFQV-IBGZPJMESA-N 1 1 294.398 2.902 20 30 CFEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1C#N ZINC000599433413 350436572 /nfs/dbraw/zinc/43/65/72/350436572.db2.gz FRNQXXCJNBFYEW-KURKYZTESA-N 1 1 284.403 2.992 20 30 CFEDMO Cc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1C#N ZINC000599434501 350437777 /nfs/dbraw/zinc/43/77/77/350437777.db2.gz BRAJJOVIBAYBRG-QGZVFWFLSA-N 1 1 270.376 2.869 20 30 CFEDMO Cc1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cc1C#N ZINC000599438141 350438135 /nfs/dbraw/zinc/43/81/35/350438135.db2.gz NEODMLGIZXXWNQ-QGZVFWFLSA-N 1 1 270.376 2.868 20 30 CFEDMO Cc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cc1C#N ZINC000599438141 350438141 /nfs/dbraw/zinc/43/81/41/350438141.db2.gz NEODMLGIZXXWNQ-QGZVFWFLSA-N 1 1 270.376 2.868 20 30 CFEDMO Cc1ccc(C[N@@H+](CCO)CCc2ccccc2)cc1C#N ZINC000599292193 350407183 /nfs/dbraw/zinc/40/71/83/350407183.db2.gz GBPRKBFKUPWIPI-UHFFFAOYSA-N 1 1 294.398 2.904 20 30 CFEDMO CC(C)(C)[C@@H]1CCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599285378 350407309 /nfs/dbraw/zinc/40/73/09/350407309.db2.gz QZUBJFREGJPMRQ-GJZGRUSLSA-N 1 1 294.439 2.568 20 30 CFEDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599293143 350408088 /nfs/dbraw/zinc/40/80/88/350408088.db2.gz OMFGLVZVMBFHSX-OAHLLOKOSA-N 1 1 258.365 2.725 20 30 CFEDMO CC(C)[C@@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000599294305 350408284 /nfs/dbraw/zinc/40/82/84/350408284.db2.gz FUSLXTIVHGGALV-HOTGVXAUSA-N 1 1 294.439 2.568 20 30 CFEDMO Cc1ccc(C[N@@H+](CCO)CC(C)(C)C)cc1C#N ZINC000599296353 350408321 /nfs/dbraw/zinc/40/83/21/350408321.db2.gz PTPSOHXHAXJZBS-UHFFFAOYSA-N 1 1 260.381 2.707 20 30 CFEDMO Cc1ccc(C[N@H+]2CCCOC(C)(C)C2)cc1C#N ZINC000599295161 350408427 /nfs/dbraw/zinc/40/84/27/350408427.db2.gz YIBZGVACPXEWFY-UHFFFAOYSA-N 1 1 258.365 2.868 20 30 CFEDMO C=CCCCCC[N@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000599297491 350409425 /nfs/dbraw/zinc/40/94/25/350409425.db2.gz IVMKBFQFJVGWPS-MRXNPFEDSA-N 1 1 294.439 2.736 20 30 CFEDMO Cc1ccc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1C#N ZINC000599303923 350410360 /nfs/dbraw/zinc/41/03/60/350410360.db2.gz HUZSIGSSUQDERG-INIZCTEOSA-N 1 1 294.402 2.665 20 30 CFEDMO CCC[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599310703 350412469 /nfs/dbraw/zinc/41/24/69/350412469.db2.gz AMMJINBSMZFPCN-CVEARBPZSA-N 1 1 294.439 2.570 20 30 CFEDMO Cc1ccc(C[N@@H+](C)CCc2nccs2)cc1C#N ZINC000599336777 350417050 /nfs/dbraw/zinc/41/70/50/350417050.db2.gz QRHLHMWIYZPFHM-UHFFFAOYSA-N 1 1 271.389 2.998 20 30 CFEDMO CCC[C@@H](C)CCC[N@@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000599342158 350418854 /nfs/dbraw/zinc/41/88/54/350418854.db2.gz IUJMHFZIUIBVGA-CYBMUJFWSA-N 1 1 291.443 2.775 20 30 CFEDMO Cc1ccc(C[N@@H+]2CCOC3(CCC3)C2)cc1C#N ZINC000599354951 350421061 /nfs/dbraw/zinc/42/10/61/350421061.db2.gz ZGKYIPQVUTVKOD-UHFFFAOYSA-N 1 1 256.349 2.622 20 30 CFEDMO Cc1ccc(C[N@H+]2CCOC3(CCC3)C2)cc1C#N ZINC000599354951 350421065 /nfs/dbraw/zinc/42/10/65/350421065.db2.gz ZGKYIPQVUTVKOD-UHFFFAOYSA-N 1 1 256.349 2.622 20 30 CFEDMO Cc1ccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1C#N ZINC000599382717 350427537 /nfs/dbraw/zinc/42/75/37/350427537.db2.gz ULZMAZVUUURTOD-MELADBBJSA-N 1 1 258.365 2.864 20 30 CFEDMO Cc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1C#N ZINC000599382717 350427541 /nfs/dbraw/zinc/42/75/41/350427541.db2.gz ULZMAZVUUURTOD-MELADBBJSA-N 1 1 258.365 2.864 20 30 CFEDMO COC(=O)[C@@H](C)[N@H+](Cc1ccc(C)c(C#N)c1)C1CCC1 ZINC000599390608 350429994 /nfs/dbraw/zinc/42/99/94/350429994.db2.gz KTBPKUGMOJVOBU-CYBMUJFWSA-N 1 1 286.375 2.783 20 30 CFEDMO COC(=O)[C@@H](C)[N@@H+](Cc1ccc(C)c(C#N)c1)C1CCC1 ZINC000599390608 350429996 /nfs/dbraw/zinc/42/99/96/350429996.db2.gz KTBPKUGMOJVOBU-CYBMUJFWSA-N 1 1 286.375 2.783 20 30 CFEDMO C=CC[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000599526227 350450209 /nfs/dbraw/zinc/45/02/09/350450209.db2.gz HYYQJBSYNQRIPB-HNNXBMFYSA-N 1 1 256.349 2.835 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000599526155 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271.408 2.941 20 30 CFEDMO C[C@H](NCC[N@H+]1CCC[C@H](C)C1)c1ccc(C#N)cc1 ZINC000180152598 380625883 /nfs/dbraw/zinc/62/58/83/380625883.db2.gz HTZUSAGGYBTMDG-GJZGRUSLSA-N 1 1 271.408 2.941 20 30 CFEDMO COC(=O)c1oc([C@H](C)[NH+]2CCC(C#N)CC2)cc1C ZINC000180593568 380679569 /nfs/dbraw/zinc/67/95/69/380679569.db2.gz OMLWEVZJKNTUSU-NSHDSACASA-N 1 1 276.336 2.671 20 30 CFEDMO N#Cc1ccc(C[NH2+]CCc2ccc3cn[nH]c3c2)cc1 ZINC000341253763 380867273 /nfs/dbraw/zinc/86/72/73/380867273.db2.gz MGRXSEDPIMVRLI-UHFFFAOYSA-N 1 1 276.343 2.767 20 30 CFEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccccc1C#N ZINC000347012220 380876354 /nfs/dbraw/zinc/87/63/54/380876354.db2.gz VLHMZSUKWMFRBN-DVOMOZLQSA-N 1 1 258.365 2.540 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)N(C)CC1CCCCC1 ZINC000346981346 380844960 /nfs/dbraw/zinc/84/49/60/380844960.db2.gz FMSXFWSGAVNELK-UHFFFAOYSA-N 1 1 266.429 2.923 20 30 CFEDMO C[C@@H](CNc1cc(C#N)ccn1)[N@@H+](C)Cc1ccccc1 ZINC000287496161 380846458 /nfs/dbraw/zinc/84/64/58/380846458.db2.gz 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Cc1cc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)ccc1C#N ZINC000347121497 380953572 /nfs/dbraw/zinc/95/35/72/380953572.db2.gz GBUYAXSEFFOQEZ-SFHVURJKSA-N 1 1 293.370 2.915 20 30 CFEDMO Cc1cc[nH+]c(N2CCO[C@H](c3cccc(C#N)c3)C2)c1 ZINC000341358121 380962887 /nfs/dbraw/zinc/96/28/87/380962887.db2.gz DQVWUORCRMLTSX-INIZCTEOSA-N 1 1 279.343 2.840 20 30 CFEDMO Cc1cc(C[C@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)n[nH]1 ZINC000182032615 380969052 /nfs/dbraw/zinc/96/90/52/380969052.db2.gz RIBCMDXAPKAPEP-GXTWGEPZSA-N 1 1 298.390 2.902 20 30 CFEDMO C=C(CC)C[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000358624876 380976679 /nfs/dbraw/zinc/97/66/79/380976679.db2.gz IVKPFTZYJMSLPJ-UHFFFAOYSA-N 1 1 250.317 2.662 20 30 CFEDMO C=C(CC)C[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000358624876 380976686 /nfs/dbraw/zinc/97/66/86/380976686.db2.gz IVKPFTZYJMSLPJ-UHFFFAOYSA-N 1 1 250.317 2.662 20 30 CFEDMO C=CCC[C@H](C)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295565460 380944599 /nfs/dbraw/zinc/94/45/99/380944599.db2.gz LCPUBTQTMFMAIZ-SOUVJXGZSA-N 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C=C(CC)C[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000361997702 381878157 /nfs/dbraw/zinc/87/81/57/381878157.db2.gz ZEBAQQNOQXCMKI-MRXNPFEDSA-N 1 1 261.365 2.732 20 30 CFEDMO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C2CC2)C1 ZINC000372861066 381881143 /nfs/dbraw/zinc/88/11/43/381881143.db2.gz VMDBIGJLMLHPLC-OAHLLOKOSA-N 1 1 283.375 2.619 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@H](CC)c2ccccc2)C1=O ZINC000343628730 381853734 /nfs/dbraw/zinc/85/37/34/381853734.db2.gz WWPFXERPYKKPIR-DOTOQJQBSA-N 1 1 286.419 2.899 20 30 CFEDMO C=CC[N@@H+](CCc1ccco1)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000299182782 381854947 /nfs/dbraw/zinc/85/49/47/381854947.db2.gz ZLYSWJIHVLEGIQ-ZDUSSCGKSA-N 1 1 287.363 2.875 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000299182782 381854950 /nfs/dbraw/zinc/85/49/50/381854950.db2.gz ZLYSWJIHVLEGIQ-ZDUSSCGKSA-N 1 1 287.363 2.875 20 30 CFEDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343644710 381865970 /nfs/dbraw/zinc/86/59/70/381865970.db2.gz DAPHILIHEOGXBG-CYBMUJFWSA-N 1 1 274.364 2.526 20 30 CFEDMO CC[N@H+](CCC#N)Cc1ccc(-n2ccnc2)cc1C ZINC000361830899 381866195 /nfs/dbraw/zinc/86/61/95/381866195.db2.gz SWNANMYTHMSDOE-UHFFFAOYSA-N 1 1 268.364 2.916 20 30 CFEDMO CC[N@@H+](CCC#N)Cc1ccc(-n2ccnc2)cc1C ZINC000361830899 381866203 /nfs/dbraw/zinc/86/62/03/381866203.db2.gz SWNANMYTHMSDOE-UHFFFAOYSA-N 1 1 268.364 2.916 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)CC#Cc2ccccc2)C[C@H]1C ZINC000361837022 381866234 /nfs/dbraw/zinc/86/62/34/381866234.db2.gz JFIBJMCZWPYWHF-SJLPKXTDSA-N 1 1 270.420 2.843 20 30 CFEDMO C#CCNC(=O)CC[N@@H+]1CC[C@@H](C)C[C@H]1c1ccc(C)o1 ZINC000292863310 381870867 /nfs/dbraw/zinc/87/08/67/381870867.db2.gz RSFPARPSEQMQNQ-HIFRSBDPSA-N 1 1 288.391 2.501 20 30 CFEDMO C[N@H+]1CCN(c2ccc(C#N)cc2)C[C@@H]1Cc1ccccc1 ZINC000343659515 381873451 /nfs/dbraw/zinc/87/34/51/381873451.db2.gz AWDGFBQVSNJZHX-IBGZPJMESA-N 1 1 291.398 2.921 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(CC#N)cc2)C[C@@H]1C ZINC000343704008 381897950 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C=CC[C@H](CC)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000343765619 381931018 /nfs/dbraw/zinc/93/10/18/381931018.db2.gz CXVVQGBBPDFTHR-DZGCQCFKSA-N 1 1 264.413 2.864 20 30 CFEDMO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCC12CCC2 ZINC000373095475 381926867 /nfs/dbraw/zinc/92/68/67/381926867.db2.gz RGLIXQYLQZYONX-UHFFFAOYSA-N 1 1 289.404 2.967 20 30 CFEDMO COc1ccc(C[N@H+]2CCCO[C@H](C(C)C)C2)cc1C#N ZINC000293029429 381956649 /nfs/dbraw/zinc/95/66/49/381956649.db2.gz GDDBNCPHXVUIGC-KRWDZBQOSA-N 1 1 288.391 2.814 20 30 CFEDMO Cc1oc(NC(=O)C[N@H+](C)[C@@H](C)C2CCC2)c(C#N)c1C ZINC000357018686 381966978 /nfs/dbraw/zinc/96/69/78/381966978.db2.gz AVVIVUPWTLIZAA-NSHDSACASA-N 1 1 289.379 2.827 20 30 CFEDMO C[N@H+](Cc1ccc(CC#N)cc1)C[C@H]1CCCC[C@H]1O ZINC000343776264 381936639 /nfs/dbraw/zinc/93/66/39/381936639.db2.gz DAWBXEQZFKXKOA-IAGOWNOFSA-N 1 1 272.392 2.736 20 30 CFEDMO COC(=O)[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC12CCC2 ZINC000373184639 381942736 /nfs/dbraw/zinc/94/27/36/381942736.db2.gz XBMZJWZMAPDAKC-CYBMUJFWSA-N 1 1 278.396 2.591 20 30 CFEDMO Cc1cc(N(C)CCC[N@@H+](C)Cc2ccco2)cc(C#N)n1 ZINC000343802853 381951798 /nfs/dbraw/zinc/95/17/98/381951798.db2.gz FGRLHEBSCNMUIY-UHFFFAOYSA-N 1 1 298.390 2.813 20 30 CFEDMO N#CC1(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000362295543 381995305 /nfs/dbraw/zinc/99/53/05/381995305.db2.gz MRSFDHOAKPIHMU-UONOGXRCSA-N 1 1 278.302 2.688 20 30 CFEDMO C#CC[C@@H]([NH2+]Cc1cc(C)ncn1)c1ccccc1 ZINC000293120269 381996494 /nfs/dbraw/zinc/99/64/94/381996494.db2.gz KKIWCTWHBQDWJZ-MRXNPFEDSA-N 1 1 251.333 2.639 20 30 CFEDMO CCOC(=O)CC(C)(C)[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000343873145 381996827 /nfs/dbraw/zinc/99/68/27/381996827.db2.gz HDAUZSBYVLMKJA-UHFFFAOYSA-N 1 1 291.366 2.841 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)N(C)CC[N@@H+](C)C1CC1 ZINC000186758615 382003917 /nfs/dbraw/zinc/00/39/17/382003917.db2.gz BAYOFCGTGNUSDR-ZDUSSCGKSA-N 1 1 257.381 2.645 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCN(C)C1CC1 ZINC000186758615 382003926 /nfs/dbraw/zinc/00/39/26/382003926.db2.gz 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FSNJDVSOZCWOKI-MRXNPFEDSA-N 1 1 276.355 2.682 20 30 CFEDMO CCC[C@@]1(C)CCC[N@H+]([C@@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000346286470 393925701 /nfs/dbraw/zinc/92/57/01/393925701.db2.gz VAHMLPMJNDLRES-HOCLYGCPSA-N 1 1 291.439 2.840 20 30 CFEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2ccccc2C#N)C[C@@H](C)C1 ZINC000428992176 393931807 /nfs/dbraw/zinc/93/18/07/393931807.db2.gz AIHLZNFAHHYTSY-RKVPGOIHSA-N 1 1 283.419 2.720 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000347484078 393941396 /nfs/dbraw/zinc/94/13/96/393941396.db2.gz MTBYFAVOQZKBDO-CQSZACIVSA-N 1 1 266.429 2.827 20 30 CFEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000121052339 393946784 /nfs/dbraw/zinc/94/67/84/393946784.db2.gz BPAWFYSZMXVOCE-SOUVJXGZSA-N 1 1 266.429 2.777 20 30 CFEDMO C=CCOCCC[NH2+]C1(c2noc(C3CC3)n2)CCCC1 ZINC000348028069 393946969 /nfs/dbraw/zinc/94/69/69/393946969.db2.gz CGQQOXGDDQZGNI-UHFFFAOYSA-N 1 1 291.395 2.899 20 30 CFEDMO C=CCCC[N@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000121078245 393947758 /nfs/dbraw/zinc/94/77/58/393947758.db2.gz YZHPEMCTJDDBSX-UHFFFAOYSA-N 1 1 258.325 2.530 20 30 CFEDMO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121140572 393949448 /nfs/dbraw/zinc/94/94/48/393949448.db2.gz WPEDITYMKDYJFJ-CQSZACIVSA-N 1 1 262.353 2.983 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](c2ccco2)C1 ZINC000121140572 393949451 /nfs/dbraw/zinc/94/94/51/393949451.db2.gz WPEDITYMKDYJFJ-CQSZACIVSA-N 1 1 262.353 2.983 20 30 CFEDMO OCC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccco1 ZINC000346198094 393922575 /nfs/dbraw/zinc/92/25/75/393922575.db2.gz PUDSKMZVMWVRJW-OAHLLOKOSA-N 1 1 289.762 2.998 20 30 CFEDMO C[C@@H]1[C@H](C)C[N@@H+](Cc2cnc3ccc(C#N)cn23)[C@H]1C ZINC000418135241 394017764 /nfs/dbraw/zinc/01/77/64/394017764.db2.gz QVRLVNFQVWAYEG-UPJWGTAASA-N 1 1 268.364 2.682 20 30 CFEDMO COc1ccc(C[NH+]2CCC(F)(C#N)CC2)cc1C ZINC000348702116 393956561 /nfs/dbraw/zinc/95/65/61/393956561.db2.gz DQXIMPABIFFCOW-UHFFFAOYSA-N 1 1 262.328 2.831 20 30 CFEDMO C[C@H](C#N)CN(C)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000348751099 393958173 /nfs/dbraw/zinc/95/81/73/393958173.db2.gz DJHFCBIJMAIEHX-RISCZKNCSA-N 1 1 293.798 2.561 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000348868127 393959749 /nfs/dbraw/zinc/95/97/49/393959749.db2.gz JRNKUQLMYMVWJT-LLVKDONJSA-N 1 1 260.328 2.877 20 30 CFEDMO C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2cc(C#N)cs2)C[C@@H](C)C1 ZINC000430133297 393960986 /nfs/dbraw/zinc/96/09/86/393960986.db2.gz YQPBPMMJWLRLOD-IOASZLSFSA-N 1 1 289.448 2.782 20 30 CFEDMO C=CCOc1ccccc1C[N@H+]1CCC[C@](F)(CO)C1 ZINC000349044758 393962132 /nfs/dbraw/zinc/96/21/32/393962132.db2.gz XXALXZNPBBFTBP-MRXNPFEDSA-N 1 1 279.355 2.548 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@](F)(CO)C1 ZINC000349044758 393962135 /nfs/dbraw/zinc/96/21/35/393962135.db2.gz XXALXZNPBBFTBP-MRXNPFEDSA-N 1 1 279.355 2.548 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)c2ccc(Cl)c(C#N)n2)C[C@@H]1C ZINC000486926317 393971565 /nfs/dbraw/zinc/97/15/65/393971565.db2.gz IMPJHTOEZBKABK-NWDGAFQWSA-N 1 1 292.814 2.916 20 30 CFEDMO CC(C)[N@H+]1CCCN(c2ncc(C#N)cc2Cl)CC1 ZINC000265171421 393973150 /nfs/dbraw/zinc/97/31/50/393973150.db2.gz YPFYGWOGPRXGRR-UHFFFAOYSA-N 1 1 278.787 2.527 20 30 CFEDMO COc1cc(C#N)ccc1C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430264486 393975325 /nfs/dbraw/zinc/97/53/25/393975325.db2.gz RHELUSYKFBVMSZ-LBPRGKRZSA-N 1 1 256.349 2.965 20 30 CFEDMO COc1ccc(C[N@@H+]2CC(C)=C[C@H](C)C2)cc1C#N ZINC000430267057 393975783 /nfs/dbraw/zinc/97/57/83/393975783.db2.gz ZSERWVISLIYIGM-LBPRGKRZSA-N 1 1 256.349 2.965 20 30 CFEDMO C=CCCC[N@@H+]1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000350476216 393977218 /nfs/dbraw/zinc/97/72/18/393977218.db2.gz JLIXFNPLRCIZEM-GJZGRUSLSA-N 1 1 252.402 2.674 20 30 CFEDMO CC(C)[C@H]1CN(c2c(F)cc(C#N)cc2F)CC[N@@H+]1C ZINC000487083475 393983713 /nfs/dbraw/zinc/98/37/13/393983713.db2.gz HKAHVMIXLFKJKT-CQSZACIVSA-N 1 1 279.334 2.613 20 30 CFEDMO CC(C)[C@H]1CN(c2c(F)cc(C#N)cc2F)CC[N@H+]1C ZINC000487083475 393983717 /nfs/dbraw/zinc/98/37/17/393983717.db2.gz HKAHVMIXLFKJKT-CQSZACIVSA-N 1 1 279.334 2.613 20 30 CFEDMO N#CCC[N@H+](CCC1CCCCC1)CCN1CCOCC1 ZINC000351322931 393991552 /nfs/dbraw/zinc/99/15/52/393991552.db2.gz DFALQXMBGNJMRS-UHFFFAOYSA-N 1 1 293.455 2.505 20 30 CFEDMO N#CCC[N@@H+](CCC1CCCCC1)CCN1CCOCC1 ZINC000351322931 393991554 /nfs/dbraw/zinc/99/15/54/393991554.db2.gz DFALQXMBGNJMRS-UHFFFAOYSA-N 1 1 293.455 2.505 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352037469 394010319 /nfs/dbraw/zinc/01/03/19/394010319.db2.gz VPZXTBBPUXBYOO-CHWSQXEVSA-N 1 1 288.382 2.777 20 30 CFEDMO C=C(C)CC[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000352399776 394013752 /nfs/dbraw/zinc/01/37/52/394013752.db2.gz BGRLCQBZBRNDSD-KKUMJFAQSA-N 1 1 253.386 2.611 20 30 CFEDMO C=CCN(C)C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000490933876 394045080 /nfs/dbraw/zinc/04/50/80/394045080.db2.gz FJJZVHGKGROKKO-UHFFFAOYSA-N 1 1 272.392 2.929 20 30 CFEDMO C#CC[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)C1CCCC1 ZINC000491251950 394046795 /nfs/dbraw/zinc/04/67/95/394046795.db2.gz DIVLADYATHYEDF-UHFFFAOYSA-N 1 1 271.286 2.806 20 30 CFEDMO C#CC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)C1CCCC1 ZINC000491251950 394046796 /nfs/dbraw/zinc/04/67/96/394046796.db2.gz DIVLADYATHYEDF-UHFFFAOYSA-N 1 1 271.286 2.806 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000491394061 394049222 /nfs/dbraw/zinc/04/92/22/394049222.db2.gz KTLXWSXXVZROJF-VIFPVBQESA-N 1 1 292.726 2.509 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000491394061 394049225 /nfs/dbraw/zinc/04/92/25/394049225.db2.gz KTLXWSXXVZROJF-VIFPVBQESA-N 1 1 292.726 2.509 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000491392543 394049303 /nfs/dbraw/zinc/04/93/03/394049303.db2.gz CREPVVYRAPVRJF-AWEZNQCLSA-N 1 1 298.386 2.608 20 30 CFEDMO C#CCN(C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000491425795 394051001 /nfs/dbraw/zinc/05/10/01/394051001.db2.gz CMTNFQVLDIWWGM-OAHLLOKOSA-N 1 1 299.418 2.585 20 30 CFEDMO C#C[C@H](C)[N@H+](C)CCCCOc1c(OC)cccc1OC ZINC000491546800 394052611 /nfs/dbraw/zinc/05/26/11/394052611.db2.gz XPBJDBJURFTEKI-AWEZNQCLSA-N 1 1 291.391 2.816 20 30 CFEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278748601 394062691 /nfs/dbraw/zinc/06/26/91/394062691.db2.gz LZMRZJJJYHIMOQ-GXTWGEPZSA-N 1 1 298.308 2.866 20 30 CFEDMO CC#CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000278920280 394064337 /nfs/dbraw/zinc/06/43/37/394064337.db2.gz RUBLLVCLAINUKP-HNNXBMFYSA-N 1 1 284.403 2.558 20 30 CFEDMO C[C@H](CNC(=O)c1cc(C#N)cs1)[N@H+]1CCCC[C@@H]1C ZINC000437674829 394067909 /nfs/dbraw/zinc/06/79/09/394067909.db2.gz OSZWAQLMWJSOGH-NWDGAFQWSA-N 1 1 291.420 2.612 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000492797323 394076659 /nfs/dbraw/zinc/07/66/59/394076659.db2.gz YEHGJCLKOMGGNK-ZDUSSCGKSA-N 1 1 299.374 2.694 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H]1CCOC1 ZINC000437804760 394077050 /nfs/dbraw/zinc/07/70/50/394077050.db2.gz VVLSDTXVBJMFPU-GFCCVEGCSA-N 1 1 296.317 2.628 20 30 CFEDMO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000357560533 394090299 /nfs/dbraw/zinc/09/02/99/394090299.db2.gz SMBVVSJSSXIRCI-NSHDSACASA-N 1 1 276.340 2.607 20 30 CFEDMO C[N@@H+](CCCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000492967948 394111651 /nfs/dbraw/zinc/11/16/51/394111651.db2.gz FMIICKHFXXPQJH-UHFFFAOYSA-N 1 1 281.400 2.621 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1Cl)c1cn[nH]c1 ZINC000439450756 394115791 /nfs/dbraw/zinc/11/57/91/394115791.db2.gz WVXBAIHBBOUSCQ-VIFPVBQESA-N 1 1 260.728 2.786 20 30 CFEDMO C=CCN1CC[C@H]([N@H+]2CC=C(c3cccc(C)c3)CC2)C1=O ZINC000282078931 394121007 /nfs/dbraw/zinc/12/10/07/394121007.db2.gz UGYMUKPTCDLHLM-SFHVURJKSA-N 1 1 296.414 2.871 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@H]2c2ccc(F)cc2)C1=O ZINC000282101643 394121826 /nfs/dbraw/zinc/12/18/26/394121826.db2.gz WDHULNAEOFGIBI-HOTGVXAUSA-N 1 1 288.366 2.750 20 30 CFEDMO C=CCOc1cccc(CNC2(C[NH+](C)C)CCC2)c1 ZINC000282225778 394122418 /nfs/dbraw/zinc/12/24/18/394122418.db2.gz MZZXYIDJQXKFBU-UHFFFAOYSA-N 1 1 274.408 2.825 20 30 CFEDMO C=CCCCC(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000359068529 394122758 /nfs/dbraw/zinc/12/27/58/394122758.db2.gz LGEKCSJBCXHYKW-OAHLLOKOSA-N 1 1 290.407 2.770 20 30 CFEDMO C=CCCCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000359078073 394122793 /nfs/dbraw/zinc/12/27/93/394122793.db2.gz CCBYCWKFQGQPQJ-AWEZNQCLSA-N 1 1 266.429 2.969 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2OC)C[C@H](CC)O1 ZINC000420953183 394137099 /nfs/dbraw/zinc/13/70/99/394137099.db2.gz ITZOVJBZVJBZQT-IYBDPMFKSA-N 1 1 288.391 2.956 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2OC)C[C@H](CC)O1 ZINC000420953183 394137101 /nfs/dbraw/zinc/13/71/01/394137101.db2.gz ITZOVJBZVJBZQT-IYBDPMFKSA-N 1 1 288.391 2.956 20 30 CFEDMO C=CCNC(=O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000285532610 394144204 /nfs/dbraw/zinc/14/42/04/394144204.db2.gz SNKRUXKVOUKEDP-BBWFWOEESA-N 1 1 284.403 2.557 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1(C#N)CC1 ZINC000360338637 394148966 /nfs/dbraw/zinc/14/89/66/394148966.db2.gz QTUFWHSVOIOEGP-WBVHZDCISA-N 1 1 283.419 2.790 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1(C#N)CC1 ZINC000360338636 394149458 /nfs/dbraw/zinc/14/94/58/394149458.db2.gz QTUFWHSVOIOEGP-RDJZCZTQSA-N 1 1 283.419 2.790 20 30 CFEDMO CC#CCC[N@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000360448787 394152151 /nfs/dbraw/zinc/15/21/51/394152151.db2.gz QCCZGAWZLDUKAM-INIZCTEOSA-N 1 1 256.393 2.606 20 30 CFEDMO CC#CCCN1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360448787 394152154 /nfs/dbraw/zinc/15/21/54/394152154.db2.gz QCCZGAWZLDUKAM-INIZCTEOSA-N 1 1 256.393 2.606 20 30 CFEDMO CC#CCCN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360448787 394152157 /nfs/dbraw/zinc/15/21/57/394152157.db2.gz QCCZGAWZLDUKAM-INIZCTEOSA-N 1 1 256.393 2.606 20 30 CFEDMO COc1ccc(C[N@H+]2CCC[C@H](CCO)CC2)cc1C#N ZINC000421017486 394158814 /nfs/dbraw/zinc/15/88/14/394158814.db2.gz NIJXIIYYJXCIFN-AWEZNQCLSA-N 1 1 288.391 2.551 20 30 CFEDMO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000360754584 394158992 /nfs/dbraw/zinc/15/89/92/394158992.db2.gz MXELFCXWRLOFKD-SNUQEOBHSA-N 1 1 270.442 2.548 20 30 CFEDMO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1CCCCC(C)(C)C#N ZINC000360754584 394158999 /nfs/dbraw/zinc/15/89/99/394158999.db2.gz MXELFCXWRLOFKD-SNUQEOBHSA-N 1 1 270.442 2.548 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000360851431 394160380 /nfs/dbraw/zinc/16/03/80/394160380.db2.gz QRRAPTJPPXUVAL-OAHLLOKOSA-N 1 1 291.439 2.793 20 30 CFEDMO C=CC[C@@H](CO)[NH2+][C@H](CC)c1ccc(F)cc1O ZINC000285977002 394174546 /nfs/dbraw/zinc/17/45/46/394174546.db2.gz GJCSZZVZHVSUJE-WCQYABFASA-N 1 1 253.317 2.509 20 30 CFEDMO CC[C@@H](C)[N@H+](CC#Cc1cccc(Cl)c1)CCO ZINC000286723800 394199279 /nfs/dbraw/zinc/19/92/79/394199279.db2.gz BFKBCJQLKIXJKJ-CYBMUJFWSA-N 1 1 265.784 2.784 20 30 CFEDMO CC(C)[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000134980013 394207594 /nfs/dbraw/zinc/20/75/94/394207594.db2.gz WBENEBDEEVXASJ-OAHLLOKOSA-N 1 1 285.391 2.865 20 30 CFEDMO COc1ccc(C[N@@H+](C)Cc2cccn2C)cc1C#N ZINC000135152267 394212049 /nfs/dbraw/zinc/21/20/49/394212049.db2.gz CCVMMPQNNIJNPL-UHFFFAOYSA-N 1 1 269.348 2.537 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000289660295 394220828 /nfs/dbraw/zinc/22/08/28/394220828.db2.gz YMPVRRXTBBUNNR-SJORKVTESA-N 1 1 255.361 2.811 20 30 CFEDMO CC1(C)CCC[N@H+]1CCNC(=O)/C=C\c1cccc(C#N)c1 ZINC000493493336 394258658 /nfs/dbraw/zinc/25/86/58/394258658.db2.gz ZINONSQPQRKFEA-FPLPWBNLSA-N 1 1 297.402 2.562 20 30 CFEDMO C=CC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366563496 394245100 /nfs/dbraw/zinc/24/51/00/394245100.db2.gz XXEWSMYUAQOWEV-OLZOCXBDSA-N 1 1 266.385 2.504 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366563495 394245213 /nfs/dbraw/zinc/24/52/13/394245213.db2.gz XXEWSMYUAQOWEV-CHWSQXEVSA-N 1 1 266.385 2.504 20 30 CFEDMO CCC[C@@]1(CO)CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000367370469 394254559 /nfs/dbraw/zinc/25/45/59/394254559.db2.gz LMACRWSOUITMBQ-QGZVFWFLSA-N 1 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YIQUPMVNXPGOGN-CMDGGOBGSA-N 1 1 297.402 2.562 20 30 CFEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1C(C)(C)CC ZINC000156679486 394337426 /nfs/dbraw/zinc/33/74/26/394337426.db2.gz SIRSCRSRXQYPBH-LSDHHAIUSA-N 1 1 293.455 2.895 20 30 CFEDMO C[N@H+](CCc1nccs1)Cc1ccccc1C#N ZINC000157791349 394350156 /nfs/dbraw/zinc/35/01/56/394350156.db2.gz WWKJTWDPQTVLJJ-UHFFFAOYSA-N 1 1 257.362 2.689 20 30 CFEDMO C[N@@H+](CCc1nccs1)Cc1ccccc1C#N ZINC000157791349 394350159 /nfs/dbraw/zinc/35/01/59/394350159.db2.gz WWKJTWDPQTVLJJ-UHFFFAOYSA-N 1 1 257.362 2.689 20 30 CFEDMO COc1cccnc1C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000453373315 394391946 /nfs/dbraw/zinc/39/19/46/394391946.db2.gz RZINJVGRPKUSOO-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO C=CC[N@@H+](CCOCC1CC1)Cc1cccc(C#N)c1 ZINC000159750011 394365769 /nfs/dbraw/zinc/36/57/69/394365769.db2.gz ZVVNHSSLTGFIGI-UHFFFAOYSA-N 1 1 270.376 2.973 20 30 CFEDMO COC[C@]1(C)CC[N@H+](Cc2ccc(F)cc2C#N)C1 ZINC000451201542 394368665 /nfs/dbraw/zinc/36/86/65/394368665.db2.gz 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/nfs/dbraw/zinc/37/70/14/394377014.db2.gz JNPIJIIPZFZJIH-UHFFFAOYSA-N 1 1 279.365 2.673 20 30 CFEDMO N#CCCCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174624615 394379196 /nfs/dbraw/zinc/37/91/96/394379196.db2.gz BKJXPPMNSDRVLQ-KRWDZBQOSA-N 1 1 299.418 2.851 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CCCC(C)(C)C#N)c1 ZINC000174823558 394380035 /nfs/dbraw/zinc/38/00/35/394380035.db2.gz PGLQUOFYULJIHJ-UHFFFAOYSA-N 1 1 297.402 2.868 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C[C@H]1C ZINC000520588789 394380936 /nfs/dbraw/zinc/38/09/36/394380936.db2.gz YDJDLRRATVTYBV-VXGBXAGGSA-N 1 1 273.336 2.944 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000685055697 542891187 /nfs/dbraw/zinc/89/11/87/542891187.db2.gz JMMHJTPMGYPIFP-YJBOKZPZSA-N 1 1 289.394 2.855 20 30 CFEDMO N#Cc1nc(NC[C@@H]2CC[N@@H+]2C2CCCC2)sc1Cl ZINC000528207326 394402612 /nfs/dbraw/zinc/40/26/12/394402612.db2.gz CDHSHQIOAUAZQK-JTQLQIEISA-N 1 1 296.827 2.519 20 30 CFEDMO N#Cc1nc(NC[C@@H]2CC[N@H+]2C2CCCC2)sc1Cl ZINC000528207326 394402613 /nfs/dbraw/zinc/40/26/13/394402613.db2.gz CDHSHQIOAUAZQK-JTQLQIEISA-N 1 1 296.827 2.519 20 30 CFEDMO CC[C@@H]1CCC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000535964914 394550693 /nfs/dbraw/zinc/55/06/93/394550693.db2.gz USZLRCUQFOATKA-CYBMUJFWSA-N 1 1 272.348 2.719 20 30 CFEDMO COC(=O)c1cccc(C[N@H+]2CCC[C@H]2C(C)C)c1C#N ZINC000535979681 394550757 /nfs/dbraw/zinc/55/07/57/394550757.db2.gz BCFLFOXGTXDLDX-INIZCTEOSA-N 1 1 286.375 2.965 20 30 CFEDMO C[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000543763029 394742744 /nfs/dbraw/zinc/74/27/44/394742744.db2.gz XRKYLXCDUJGROT-CHWSQXEVSA-N 1 1 275.371 2.690 20 30 CFEDMO C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(C#N)cc1F ZINC000543763029 394742745 /nfs/dbraw/zinc/74/27/45/394742745.db2.gz XRKYLXCDUJGROT-CHWSQXEVSA-N 1 1 275.371 2.690 20 30 CFEDMO CC(=O)c1ccc(C#N)c(NC[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000541577448 394676929 /nfs/dbraw/zinc/67/69/29/394676929.db2.gz BGWNJCUUUHWLNQ-AWEZNQCLSA-N 1 1 285.391 2.903 20 30 CFEDMO CC[C@@H]1CCC[N@H+]1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000556086900 394990225 /nfs/dbraw/zinc/99/02/25/394990225.db2.gz OMNNCVVCXCMWCS-NVXWUHKLSA-N 1 1 297.402 2.928 20 30 CFEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000556885358 395023048 /nfs/dbraw/zinc/02/30/48/395023048.db2.gz XBDKBLYKJHIPQU-KBPBESRZSA-N 1 1 264.394 2.745 20 30 CFEDMO N#Cc1cccc(OCCC[N@@H+]2CC[C@H](OC(F)F)C2)c1 ZINC000555070435 394964515 /nfs/dbraw/zinc/96/45/15/394964515.db2.gz DCKZHMSGCBHJSG-AWEZNQCLSA-N 1 1 296.317 2.641 20 30 CFEDMO CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000558655656 395068868 /nfs/dbraw/zinc/06/88/68/395068868.db2.gz DHNHJKHKPCAEQU-CABCVRRESA-N 1 1 299.418 2.810 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000649316937 395471886 /nfs/dbraw/zinc/47/18/86/395471886.db2.gz AYCXVXSZDCHJFD-LSDHHAIUSA-N 1 1 263.406 2.714 20 30 CFEDMO C=C[C@@H](CC(=O)N1CC[NH2+]C[C@](C)(F)C1)c1ccccc1 ZINC000649364519 395478468 /nfs/dbraw/zinc/47/84/68/395478468.db2.gz ZMPVAJFWJAEVPQ-YOEHRIQHSA-N 1 1 290.382 2.506 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648021975 395482579 /nfs/dbraw/zinc/48/25/79/395482579.db2.gz UJOZUKVXZOGLPO-UHFFFAOYSA-N 1 1 259.353 2.996 20 30 CFEDMO C=CCC[N@H+](C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648028160 395485300 /nfs/dbraw/zinc/48/53/00/395485300.db2.gz VSPZONREFIFQPG-UHFFFAOYSA-N 1 1 259.353 2.996 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000649699190 395554652 /nfs/dbraw/zinc/55/46/52/395554652.db2.gz KTCMGOCPWUISEU-CVEARBPZSA-N 1 1 296.455 2.689 20 30 CFEDMO C=CCCN1CCO[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000649750623 395565477 /nfs/dbraw/zinc/56/54/77/395565477.db2.gz SWJODSJAIFJCPN-ROUUACIJSA-N 1 1 286.419 2.538 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1cccc2cnccc21 ZINC000191762150 543080535 /nfs/dbraw/zinc/08/05/35/543080535.db2.gz QYXZABJOGKVPRR-UHFFFAOYSA-N 1 1 256.349 2.869 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000372345093 397536371 /nfs/dbraw/zinc/53/63/71/397536371.db2.gz HCJZRQYQQKMTJZ-CZUORRHYSA-N 1 1 298.386 2.625 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000372345093 397536376 /nfs/dbraw/zinc/53/63/76/397536376.db2.gz HCJZRQYQQKMTJZ-CZUORRHYSA-N 1 1 298.386 2.625 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000135085771 397604293 /nfs/dbraw/zinc/60/42/93/397604293.db2.gz GLQXOYXHEFJTPW-GOEBONIOSA-N 1 1 266.429 2.779 20 30 CFEDMO C=CCOCCC[N@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000348027736 397657761 /nfs/dbraw/zinc/65/77/61/397657761.db2.gz GDNTWNLECAVFIF-UKRRQHHQSA-N 1 1 255.402 2.715 20 30 CFEDMO CCC[N@@H+](CC)CCNc1nc(Cl)c(C#N)s1 ZINC000220246821 397621296 /nfs/dbraw/zinc/62/12/96/397621296.db2.gz KUMZXAYTAMXTGV-UHFFFAOYSA-N 1 1 272.805 2.812 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000650201842 397727609 /nfs/dbraw/zinc/72/76/09/397727609.db2.gz 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/nfs/dbraw/zinc/16/64/71/154166471.db2.gz CKEONMVQCCWZNJ-CHWSQXEVSA-N 1 1 277.437 2.972 20 30 CFEDMO C[C@H](CNCc1ccc(C#N)s1)[N@H+]1CCCC[C@H]1C ZINC000343281402 154166472 /nfs/dbraw/zinc/16/64/72/154166472.db2.gz CKEONMVQCCWZNJ-CHWSQXEVSA-N 1 1 277.437 2.972 20 30 CFEDMO CC[C@@H](CO)[N@@H+](C)Cc1ccc(Br)cc1C#N ZINC000345824871 154275700 /nfs/dbraw/zinc/27/57/00/154275700.db2.gz DETDWGAICRULER-ZDUSSCGKSA-N 1 1 297.196 2.523 20 30 CFEDMO Cc1cc(NC(=O)c2cccc(C#N)c2)cn2cc[nH+]c12 ZINC000355477930 155018155 /nfs/dbraw/zinc/01/81/55/155018155.db2.gz BLMCQCDHFYWPHP-UHFFFAOYSA-N 1 1 276.299 2.767 20 30 CFEDMO C=CC[C@H]1[N@@H+](C[C@H](COC)OC)CCCC1(C)C ZINC000660422629 413306144 /nfs/dbraw/zinc/30/61/44/413306144.db2.gz GKUDRZSOJQXMJY-ZIAGYGMSSA-N 1 1 255.402 2.715 20 30 CFEDMO C=CC[C@H]1[N@H+](C[C@H](O)CN(C)C(C)C)CCCC1(C)C ZINC000660423582 413306629 /nfs/dbraw/zinc/30/66/29/413306629.db2.gz SJYZVIJCWWYHFA-HZPDHXFCSA-N 1 1 282.472 2.754 20 30 CFEDMO C=CC[C@H]1[N@@H+](C[C@H](O)CN(C)C(C)C)CCCC1(C)C 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JGVTWYBJEGJUTR-CABCVRRESA-N 1 1 279.428 2.609 20 30 CFEDMO CCCCC(N)=[NH+]OCc1ccc(OC)c(C#N)c1 ZINC000153131719 261073516 /nfs/dbraw/zinc/07/35/16/261073516.db2.gz YXGOIDQWQIXRDY-UHFFFAOYSA-N 1 1 261.325 2.546 20 30 CFEDMO CC[N@@H+](CC(=O)N[C@H](CCC#N)c1ccccc1)C1CC1 ZINC000154188653 261088420 /nfs/dbraw/zinc/08/84/20/261088420.db2.gz VJQLDXMEQXFWQA-MRXNPFEDSA-N 1 1 285.391 2.632 20 30 CFEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H]1CCCOC1 ZINC000490831031 261220143 /nfs/dbraw/zinc/22/01/43/261220143.db2.gz PXAMTFDGWDVKEF-OAHLLOKOSA-N 1 1 261.340 2.688 20 30 CFEDMO C=CCOc1ccccc1CNCC[N@H+](CC)C1CC1 ZINC000101932263 261253234 /nfs/dbraw/zinc/25/32/34/261253234.db2.gz VYSWBDHYOHCLBW-UHFFFAOYSA-N 1 1 274.408 2.825 20 30 CFEDMO C=CCOc1ccccc1C[NH2+]CCN(CC)C1CC1 ZINC000101932263 261253237 /nfs/dbraw/zinc/25/32/37/261253237.db2.gz VYSWBDHYOHCLBW-UHFFFAOYSA-N 1 1 274.408 2.825 20 30 CFEDMO C#CC[N@@H+](Cc1cn(-c2ccncc2)nc1C)C1CCCC1 ZINC000490933900 261253263 /nfs/dbraw/zinc/25/32/63/261253263.db2.gz GTMFYRQJLOOAGQ-UHFFFAOYSA-N 1 1 294.402 2.954 20 30 CFEDMO C#CC[N@H+](Cc1cn(-c2ccncc2)nc1C)C1CCCC1 ZINC000490933900 261253266 /nfs/dbraw/zinc/25/32/66/261253266.db2.gz GTMFYRQJLOOAGQ-UHFFFAOYSA-N 1 1 294.402 2.954 20 30 CFEDMO N#C[C@@H]1CCC[C@@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000361465050 261281229 /nfs/dbraw/zinc/28/12/29/261281229.db2.gz TXGKUVORNJWBQU-RBSFLKMASA-N 1 1 261.413 2.675 20 30 CFEDMO N#C[C@@H]1CCC[C@@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000361465050 261281230 /nfs/dbraw/zinc/28/12/30/261281230.db2.gz TXGKUVORNJWBQU-RBSFLKMASA-N 1 1 261.413 2.675 20 30 CFEDMO CC(C)(C)c1ccc(C[NH+]2CCN(CC#N)CC2)cc1 ZINC000103882452 261287980 /nfs/dbraw/zinc/28/79/80/261287980.db2.gz POJNKYQJIDEEMY-UHFFFAOYSA-N 1 1 271.408 2.625 20 30 CFEDMO C=CC[NH+](CC=C)Cc1cc(C(=O)OC)oc1CC ZINC000177174329 261339040 /nfs/dbraw/zinc/33/90/40/261339040.db2.gz MBZIBSYVNLGKPI-UHFFFAOYSA-N 1 1 263.337 2.803 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH+]1CCC([C@@H]2CCCOC2)CC1 ZINC000371637422 262002799 /nfs/dbraw/zinc/00/27/99/262002799.db2.gz IVJFHKKYIKODKD-GOEBONIOSA-N 1 1 275.396 2.569 20 30 CFEDMO C[C@H]1C[N@@H+](CCCC(C)(C)C#N)CC2(CCOCC2)O1 ZINC000363931695 262039440 /nfs/dbraw/zinc/03/94/40/262039440.db2.gz DKANXWIVTCNDQK-AWEZNQCLSA-N 1 1 280.412 2.586 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000118849904 262121248 /nfs/dbraw/zinc/12/12/48/262121248.db2.gz WIKRTWXAXNETCM-AESZEHBQSA-N 1 1 291.439 2.694 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)C[C@H]1CO ZINC000190907678 262186698 /nfs/dbraw/zinc/18/66/98/262186698.db2.gz ZPYZFRRJAIFQRG-HIFRSBDPSA-N 1 1 272.392 2.548 20 30 CFEDMO CC#CCC[N@H+]1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000364539093 262253922 /nfs/dbraw/zinc/25/39/22/262253922.db2.gz VUMPIGXFGZCXEX-OAHLLOKOSA-N 1 1 253.349 2.697 20 30 CFEDMO CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)N(CC)CCC#N)C1CC1 ZINC000111226850 262257967 /nfs/dbraw/zinc/25/79/67/262257967.db2.gz YGNPAWDWKAOKEB-ZIAGYGMSSA-N 1 1 279.428 2.648 20 30 CFEDMO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2nc(C)c(C)s2)CC1 ZINC000111258535 262258690 /nfs/dbraw/zinc/25/86/90/262258690.db2.gz HARRKTUGDBOGCR-NSHDSACASA-N 1 1 293.436 2.985 20 30 CFEDMO CC(C)[C@H](CC[N@H+](C)CCC#N)NC(=O)OC(C)(C)C ZINC000493100728 262261460 /nfs/dbraw/zinc/26/14/60/262261460.db2.gz YZOHIVMBXDCBGU-ZDUSSCGKSA-N 1 1 283.416 2.771 20 30 CFEDMO CC(C)[C@H](CC[N@@H+](C)CCC#N)NC(=O)OC(C)(C)C ZINC000493100728 262261462 /nfs/dbraw/zinc/26/14/62/262261462.db2.gz YZOHIVMBXDCBGU-ZDUSSCGKSA-N 1 1 283.416 2.771 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N1CCC[C@H]1c1ccsc1 ZINC000364942119 262265341 /nfs/dbraw/zinc/26/53/41/262265341.db2.gz HZGLEOMCHLLBAV-AWEZNQCLSA-N 1 1 278.421 2.920 20 30 CFEDMO C=CCOCCC[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000495516335 262277965 /nfs/dbraw/zinc/27/79/65/262277965.db2.gz ZBGUMQQLEIUBBA-CQSZACIVSA-N 1 1 298.427 2.520 20 30 CFEDMO COC(=O)[C@H]1C[N@@H+](CCCCC(C)(C)C#N)CC1(C)C ZINC000365198651 262283182 /nfs/dbraw/zinc/28/31/82/262283182.db2.gz RIYVMKNWJUDTAZ-CYBMUJFWSA-N 1 1 280.412 2.837 20 30 CFEDMO C[C@H](C#N)C[N@H+](Cc1cccc2c[nH]nc21)C1CC1 ZINC000354035112 262351312 /nfs/dbraw/zinc/35/13/12/262351312.db2.gz VZUYOGMVHOBHRG-LLVKDONJSA-N 1 1 254.337 2.687 20 30 CFEDMO C[C@H](C#N)C[N@@H+](Cc1cccc2c[nH]nc21)C1CC1 ZINC000354035112 262351314 /nfs/dbraw/zinc/35/13/14/262351314.db2.gz VZUYOGMVHOBHRG-LLVKDONJSA-N 1 1 254.337 2.687 20 30 CFEDMO C#CC[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000365205771 262351352 /nfs/dbraw/zinc/35/13/52/262351352.db2.gz DIJWQBQXWASZBQ-LBPRGKRZSA-N 1 1 280.165 2.838 20 30 CFEDMO C[N@H+]1CC[C@@H]2CCN(CCCCC(C)(C)C#N)C[C@H]21 ZINC000365235720 262353549 /nfs/dbraw/zinc/35/35/49/262353549.db2.gz RMOZCLXBHSANPK-HUUCEWRRSA-N 1 1 263.429 2.732 20 30 CFEDMO CC(C)(C)OC(=O)N1CC[C@@H]2CC[N@@H+](CCCC#N)C[C@@H]21 ZINC000365408444 262364354 /nfs/dbraw/zinc/36/43/54/262364354.db2.gz HUUWGQRWKLLAOV-KBPBESRZSA-N 1 1 293.411 2.621 20 30 CFEDMO C[C@@H]1CC[S@](=O)CC[N@H+]1CCCCC(C)(C)C#N ZINC000365600361 262372886 /nfs/dbraw/zinc/37/28/86/262372886.db2.gz OVVLUAQMIFLYEW-ACJLOTCBSA-N 1 1 270.442 2.549 20 30 CFEDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCCCC(C)(C)C#N)[C@H]2C1 ZINC000365631303 262376793 /nfs/dbraw/zinc/37/67/93/262376793.db2.gz WLLSMOKMQLQWPY-OWCLPIDISA-N 1 1 294.439 2.975 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000336692443 262380314 /nfs/dbraw/zinc/38/03/14/262380314.db2.gz BSJUOTAZEBHPHR-KBPBESRZSA-N 1 1 250.386 2.675 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000336693532 262380643 /nfs/dbraw/zinc/38/06/43/262380643.db2.gz BSJUOTAZEBHPHR-ZIAGYGMSSA-N 1 1 250.386 2.675 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336700165 262381169 /nfs/dbraw/zinc/38/11/69/262381169.db2.gz FNDHHMLXRSGFBC-KGLIPLIRSA-N 1 1 250.386 2.817 20 30 CFEDMO C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCCSCC#N ZINC000336791008 262393501 /nfs/dbraw/zinc/39/35/01/262393501.db2.gz YZFBCCBVFHBWKB-ZIAGYGMSSA-N 1 1 270.442 2.649 20 30 CFEDMO C[C@H]1CCC[C@H](CO)[N@H+]1CCCCC(C)(C)C#N ZINC000336784478 262394704 /nfs/dbraw/zinc/39/47/04/262394704.db2.gz QHRCPXJDZKICJT-UONOGXRCSA-N 1 1 252.402 2.942 20 30 CFEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCO1 ZINC000336820254 262397258 /nfs/dbraw/zinc/39/72/58/262397258.db2.gz CGZUGVXAFYEYPX-BBWFWOEESA-N 1 1 270.376 2.937 20 30 CFEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H]1CCCO1 ZINC000336820254 262397261 /nfs/dbraw/zinc/39/72/61/262397261.db2.gz CGZUGVXAFYEYPX-BBWFWOEESA-N 1 1 270.376 2.937 20 30 CFEDMO COc1c(C)c[nH+]c(CN(C[C@H](C)C#N)C2CC2)c1C ZINC000336823320 262397708 /nfs/dbraw/zinc/39/77/08/262397708.db2.gz OYRBCBJVRKBWOW-LLVKDONJSA-N 1 1 273.380 2.831 20 30 CFEDMO CC[C@@H]1CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337133022 262424855 /nfs/dbraw/zinc/42/48/55/262424855.db2.gz KQPHWRBQEOAMON-CQSZACIVSA-N 1 1 250.386 2.961 20 30 CFEDMO CCc1c(C)[nH+]c2ccccc2c1N1CCO[C@H](C#N)C1 ZINC000272251958 263002916 /nfs/dbraw/zinc/00/29/16/263002916.db2.gz SUJKGVXUHGBBDV-CYBMUJFWSA-N 1 1 281.359 2.834 20 30 CFEDMO CC(C)(C)n1cc(C[NH+]2CCC(C)(C#N)CC2)cn1 ZINC000272471612 263005049 /nfs/dbraw/zinc/00/50/49/263005049.db2.gz AMXLOYNJRPJBJJ-UHFFFAOYSA-N 1 1 260.385 2.764 20 30 CFEDMO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272487041 263005218 /nfs/dbraw/zinc/00/52/18/263005218.db2.gz BUHRPYIXQQPAFW-JKSUJKDBSA-N 1 1 283.375 2.831 20 30 CFEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272487041 263005219 /nfs/dbraw/zinc/00/52/19/263005219.db2.gz BUHRPYIXQQPAFW-JKSUJKDBSA-N 1 1 283.375 2.831 20 30 CFEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@H]1CCCC[C@H]1O ZINC000272498260 263005463 /nfs/dbraw/zinc/00/54/63/263005463.db2.gz INSKFPBMQMFIPW-NVXWUHKLSA-N 1 1 288.391 2.572 20 30 CFEDMO Cc1ccc2ncc(C[NH+]3CCC(C)(C#N)CC3)n2c1 ZINC000272584466 263007472 /nfs/dbraw/zinc/00/74/72/263007472.db2.gz YWUNZAJDFGUAOX-UHFFFAOYSA-N 1 1 268.364 2.768 20 30 CFEDMO Cc1c(-c2cc(C[NH+]3CCC(C)(C#N)CC3)on2)cnn1C ZINC000274428511 263024119 /nfs/dbraw/zinc/02/41/19/263024119.db2.gz GFXBWOAEBVKURU-UHFFFAOYSA-N 1 1 299.378 2.509 20 30 CFEDMO C[C@H](CCC#N)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000276332858 263036464 /nfs/dbraw/zinc/03/64/64/263036464.db2.gz RGGCLVPZBCZLSV-CYBMUJFWSA-N 1 1 286.354 2.512 20 30 CFEDMO Cc1cccc(C[NH+]2CCN(C(=O)CC(C)(C)C#N)CC2)c1 ZINC000278158858 263045670 /nfs/dbraw/zinc/04/56/70/263045670.db2.gz ADCWEKJJKODDSU-UHFFFAOYSA-N 1 1 299.418 2.579 20 30 CFEDMO CN(C)c1cccc(C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)c1 ZINC000278521719 263048702 /nfs/dbraw/zinc/04/87/02/263048702.db2.gz CPIHGNZWICVJNZ-XJKSGUPXSA-N 1 1 257.381 2.877 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([NH+]2CCN(c3cc(F)ccc3F)CC2)C1 ZINC000278649222 263049344 /nfs/dbraw/zinc/04/93/44/263049344.db2.gz PQRAHWPDMRQOLP-TZMCWYRMSA-N 1 1 291.345 2.779 20 30 CFEDMO Cc1ccccc1C[NH+]1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000279183373 263053574 /nfs/dbraw/zinc/05/35/74/263053574.db2.gz DEMFJWOESAWYHQ-UHFFFAOYSA-N 1 1 299.418 2.579 20 30 CFEDMO C[C@H](CNC(=O)c1ccc(CC#N)cc1)[N@H+]1CCCC[C@@H]1C ZINC000340066740 263065620 /nfs/dbraw/zinc/06/56/20/263065620.db2.gz INVLMDZFNGGNKY-LSDHHAIUSA-N 1 1 299.418 2.745 20 30 CFEDMO C#CCN(CC#N)C(=O)c1ccc(C[N@H+](CC)CCC)cc1 ZINC000281585161 263070640 /nfs/dbraw/zinc/07/06/40/263070640.db2.gz SWLDESAXOKMKMM-UHFFFAOYSA-N 1 1 297.402 2.517 20 30 CFEDMO Cc1ncc(C[N@@H+](C)CCCC2(C#N)CCOCC2)s1 ZINC000281994569 263073500 /nfs/dbraw/zinc/07/35/00/263073500.db2.gz NBJBFDILUBAXOE-UHFFFAOYSA-N 1 1 293.436 2.984 20 30 CFEDMO CC(C)(C)c1ncc(C[NH+]2CCC(C)(C#N)CC2)cn1 ZINC000284302844 263086353 /nfs/dbraw/zinc/08/63/53/263086353.db2.gz IXRGPNSYLXJWOO-UHFFFAOYSA-N 1 1 272.396 2.900 20 30 CFEDMO CN1CC[N@H+]([C@H]2CC[C@H](C#N)C2)Cc2ccccc21 ZINC000284323178 263086458 /nfs/dbraw/zinc/08/64/58/263086458.db2.gz PVCZPLPFQQJVIW-ZFWWWQNUSA-N 1 1 255.365 2.631 20 30 CFEDMO CC(C)(C#N)CC[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285412669 263092749 /nfs/dbraw/zinc/09/27/49/263092749.db2.gz FYTLKLCVCBWYRK-UHFFFAOYSA-N 1 1 260.337 2.526 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCOc2cc(O)ccc2C1 ZINC000285412669 263092750 /nfs/dbraw/zinc/09/27/50/263092750.db2.gz FYTLKLCVCBWYRK-UHFFFAOYSA-N 1 1 260.337 2.526 20 30 CFEDMO CN(CCC[N@@H+](C)CCC(C)(C)C#N)Cc1ccco1 ZINC000285507389 263093924 /nfs/dbraw/zinc/09/39/24/263093924.db2.gz DBKKXGTZCVCKMV-UHFFFAOYSA-N 1 1 277.412 2.973 20 30 CFEDMO CO[C@@H](C)C[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000285740333 263095400 /nfs/dbraw/zinc/09/54/00/263095400.db2.gz QJFAHSPIBBFGFP-ZDUSSCGKSA-N 1 1 260.381 2.954 20 30 CFEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000286213471 263097738 /nfs/dbraw/zinc/09/77/38/263097738.db2.gz QPTWHXFEONPRMZ-INIZCTEOSA-N 1 1 282.347 2.649 20 30 CFEDMO N#CCOc1ccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000286213471 263097739 /nfs/dbraw/zinc/09/77/39/263097739.db2.gz QPTWHXFEONPRMZ-INIZCTEOSA-N 1 1 282.347 2.649 20 30 CFEDMO CO[C@H](C)C[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000289199563 263108136 /nfs/dbraw/zinc/10/81/36/263108136.db2.gz BIEQDQOHQJVCJO-CQSZACIVSA-N 1 1 275.396 2.503 20 30 CFEDMO Cc1c[nH+]ccc1OC1CCN(C[C@H](C#N)CCC#N)CC1 ZINC000289474180 263110421 /nfs/dbraw/zinc/11/04/21/263110421.db2.gz XIDKPXDBSZWUCR-HNNXBMFYSA-N 1 1 298.390 2.677 20 30 CFEDMO C[N@@H+]1CC[C@@H](NCCCC#N)C[C@@H]1c1ccccc1 ZINC000340361252 263119110 /nfs/dbraw/zinc/11/91/10/263119110.db2.gz NPEHYOLIUQFTDC-HZPDHXFCSA-N 1 1 257.381 2.715 20 30 CFEDMO C[N@H+]1CC[C@@H](NCCCC#N)C[C@@H]1c1ccccc1 ZINC000340361252 263119111 /nfs/dbraw/zinc/11/91/11/263119111.db2.gz NPEHYOLIUQFTDC-HZPDHXFCSA-N 1 1 257.381 2.715 20 30 CFEDMO CC[N@H+](Cc1ccc(N(C)CCC#N)cc1)C[C@H](C)OC ZINC000291154055 263120605 /nfs/dbraw/zinc/12/06/05/263120605.db2.gz ZWCLFYOXNYQEFG-HNNXBMFYSA-N 1 1 289.423 2.893 20 30 CFEDMO C[C@@H](NC(=O)CCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000291891524 263126313 /nfs/dbraw/zinc/12/63/13/263126313.db2.gz KCWVUGWCJBTJBG-WBVHZDCISA-N 1 1 299.418 2.707 20 30 CFEDMO C[C@H](NC(=O)CCCC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000291891517 263126362 /nfs/dbraw/zinc/12/63/62/263126362.db2.gz KCWVUGWCJBTJBG-RDJZCZTQSA-N 1 1 299.418 2.707 20 30 CFEDMO 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C[N@H+]1CC[C@@H]2CCN(c3c(Cl)cccc3C#N)C[C@@H]21 ZINC000375036766 277146481 /nfs/dbraw/zinc/14/64/81/277146481.db2.gz HOGIXXVRIRTHKD-RISCZKNCSA-N 1 1 275.783 2.742 20 30 CFEDMO C[N@H+]1CC[C@@H]2CCN(c3c(C#N)cnc4ccccc43)C[C@H]21 ZINC000378459869 277146575 /nfs/dbraw/zinc/14/65/75/277146575.db2.gz UOSMZKOJTJHZBV-CXAGYDPISA-N 1 1 292.386 2.637 20 30 CFEDMO C[N@H+]1CC[C@]2(CCN(CC#Cc3ccc(Cl)cc3)C2)C1 ZINC000292098029 277185564 /nfs/dbraw/zinc/18/55/64/277185564.db2.gz HORIVPPFCUHHPJ-KRWDZBQOSA-N 1 1 288.822 2.719 20 30 CFEDMO C[N@H+]1CC[C@]2(CCN(CC#Cc3ccccc3Cl)C2)C1 ZINC000335887812 277185607 /nfs/dbraw/zinc/18/56/07/277185607.db2.gz NABUBMDIHQQEPC-KRWDZBQOSA-N 1 1 288.822 2.719 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000367255970 277367501 /nfs/dbraw/zinc/36/75/01/277367501.db2.gz QXKDRJVECDZCRZ-JKSUJKDBSA-N 1 1 286.375 2.710 20 30 CFEDMO C[C@H](C1CC1)[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000268719218 278160558 /nfs/dbraw/zinc/16/05/58/278160558.db2.gz VKVSRNUNIVJXJP-SJKOYZFVSA-N 1 1 270.376 2.855 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000336552871 278257475 /nfs/dbraw/zinc/25/74/75/278257475.db2.gz ICLUFVBZZYTUHA-HNNXBMFYSA-N 1 1 250.386 2.819 20 30 CFEDMO C[C@@H](NC[C@@H](C)[N@H+](C)C1CC1)c1ccc(C#N)cc1 ZINC000181706265 278349323 /nfs/dbraw/zinc/34/93/23/278349323.db2.gz IHGAVIMMUYJVNG-CHWSQXEVSA-N 1 1 257.381 2.692 20 30 CFEDMO C[C@@H](NC[C@@H](C)[N@@H+](C)C1CC1)c1ccc(C#N)cc1 ZINC000181706265 278349324 /nfs/dbraw/zinc/34/93/24/278349324.db2.gz IHGAVIMMUYJVNG-CHWSQXEVSA-N 1 1 257.381 2.692 20 30 CFEDMO C[C@@H]([NH2+]Cc1ncccc1N(C)C)c1ccc(C#N)cc1 ZINC000289964446 278359863 /nfs/dbraw/zinc/35/98/63/278359863.db2.gz XCVSDECWOVZEAF-CYBMUJFWSA-N 1 1 280.375 2.870 20 30 CFEDMO CC[C@H](N[C@H]1CC[NH2+]C[C@H]1C)c1ccc(C#N)cc1 ZINC000423400833 288090408 /nfs/dbraw/zinc/09/04/08/288090408.db2.gz QKSPBLCOPKDPKE-KCXAZCMYSA-N 1 1 257.381 2.597 20 30 CFEDMO C[C@H](CO)[N@@H+](CC#Cc1ccc(F)cc1)C1CCCC1 ZINC000279196938 279356876 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C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)C(C)(C)C ZINC000563082261 290101835 /nfs/dbraw/zinc/10/18/35/290101835.db2.gz XUJDYTZPVGAGPZ-UHFFFAOYSA-N 1 1 270.336 2.839 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(CO)o1 ZINC000563806695 290175246 /nfs/dbraw/zinc/17/52/46/290175246.db2.gz FEPMXOZRWONBNP-GFCCVEGCSA-N 1 1 270.332 2.837 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000564366927 290206109 /nfs/dbraw/zinc/20/61/09/290206109.db2.gz FEFDODTYKJJYRV-LBPRGKRZSA-N 1 1 290.367 2.999 20 30 CFEDMO N#Cc1c2c(cnc1NC[C@H]1CCCn3cc[nH+]c31)CCC2 ZINC000566135737 290351629 /nfs/dbraw/zinc/35/16/29/290351629.db2.gz XCEWYQNTPTUIRB-CYBMUJFWSA-N 1 1 293.374 2.628 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occc1C ZINC001085484744 782077008 /nfs/dbraw/zinc/07/70/08/782077008.db2.gz KJOIXGFDFMLHCI-CQSZACIVSA-N 1 1 276.380 2.701 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C)nc1 ZINC001085487544 782080311 /nfs/dbraw/zinc/08/03/11/782080311.db2.gz BVAMKLROUZOKKD-MRXNPFEDSA-N 1 1 287.407 2.503 20 30 CFEDMO N#CCC[NH2+][C@@H]1C[C@H]1c1ccc(Br)s1 ZINC000570955270 327922321 /nfs/dbraw/zinc/92/23/21/327922321.db2.gz DCQTXPMGLJOOCF-HTQZYQBOSA-N 1 1 271.183 2.870 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ncc(Br)cn1 ZINC000339233207 328002696 /nfs/dbraw/zinc/00/26/96/328002696.db2.gz QKWYKFXKKIPNGU-IQJOONFLSA-N 1 1 295.184 2.582 20 30 CFEDMO CC[C@H](CC#N)NC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000339352628 328008500 /nfs/dbraw/zinc/00/85/00/328008500.db2.gz PKMNLQXEBFVYEV-CVEARBPZSA-N 1 1 287.407 2.705 20 30 CFEDMO Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(CCC#N)CC2)n1 ZINC000563532428 328072083 /nfs/dbraw/zinc/07/20/83/328072083.db2.gz DVGADAUPPXIOQA-GFCCVEGCSA-N 1 1 274.368 2.567 20 30 CFEDMO CC(C)[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1CCC(=O)N1 ZINC000412069055 328102917 /nfs/dbraw/zinc/10/29/17/328102917.db2.gz GIUKBWIGELRQAV-AWEZNQCLSA-N 1 1 279.428 2.695 20 30 CFEDMO C=CCCCCCNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000571414410 328119873 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/nfs/dbraw/zinc/23/38/28/328233828.db2.gz NHKLITIMUPLJPP-OAHLLOKOSA-N 1 1 292.423 2.592 20 30 CFEDMO CO[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)[C@H](C)C1 ZINC000281630725 328240755 /nfs/dbraw/zinc/24/07/55/328240755.db2.gz IFUUIBPEALJTNI-CJNGLKHVSA-N 1 1 274.364 2.588 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000181328700 329231676 /nfs/dbraw/zinc/23/16/76/329231676.db2.gz DHYIKKDJCBTDGV-OAHLLOKOSA-N 1 1 274.408 2.850 20 30 CFEDMO CCC(CC)C[N@@H+](CCC#N)CCc1ccnn1C ZINC000284284726 328245644 /nfs/dbraw/zinc/24/56/44/328245644.db2.gz FQYSUZOQCQWJQU-UHFFFAOYSA-N 1 1 262.401 2.614 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1F)C[C@@H](O)C(C)C ZINC000340275210 328252800 /nfs/dbraw/zinc/25/28/00/328252800.db2.gz AWGXSDWDDQBCCT-OAHLLOKOSA-N 1 1 251.345 2.831 20 30 CFEDMO Cc1ccncc1CCC[N@@H+](CCC#N)CC1CC1 ZINC000289248597 328254299 /nfs/dbraw/zinc/25/42/99/328254299.db2.gz CDURGRXCRWMUME-UHFFFAOYSA-N 1 1 257.381 2.948 20 30 CFEDMO C[N@@H+](Cc1ccccc1N1CCOCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000293417434 328275816 /nfs/dbraw/zinc/27/58/16/328275816.db2.gz IMSOREZPUVCBIB-DOTOQJQBSA-N 1 1 299.418 2.647 20 30 CFEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@@H]2C)cc1 ZINC000293523673 328276388 /nfs/dbraw/zinc/27/63/88/328276388.db2.gz WFTFYHSROZXTCG-JYJNAYRXSA-N 1 1 299.418 2.970 20 30 CFEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@H](C)[C@@H]2C)cc1 ZINC000293523673 328276390 /nfs/dbraw/zinc/27/63/90/328276390.db2.gz WFTFYHSROZXTCG-JYJNAYRXSA-N 1 1 299.418 2.970 20 30 CFEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccncc2F)CC1 ZINC000340478355 328282441 /nfs/dbraw/zinc/28/24/41/328282441.db2.gz JGUIQIVDSKXSPB-GFCCVEGCSA-N 1 1 263.360 2.522 20 30 CFEDMO CCOC(=O)c1cc(C[NH+]2CCC(C)(C#N)CC2)[nH]c1C ZINC000295565014 328285963 /nfs/dbraw/zinc/28/59/63/328285963.db2.gz ZMFVDDYOXUZWAE-UHFFFAOYSA-N 1 1 289.379 2.626 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001085536891 782093199 /nfs/dbraw/zinc/09/31/99/782093199.db2.gz LRBXZXWIGIHIAB-ZDUSSCGKSA-N 1 1 278.440 2.777 20 30 CFEDMO Cc1noc(C)c1CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000164638159 322383480 /nfs/dbraw/zinc/38/34/80/322383480.db2.gz PBJBSFQFDHHEPN-UHFFFAOYSA-N 1 1 269.348 2.838 20 30 CFEDMO COc1cc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)ccc1C#N ZINC000571273247 322577257 /nfs/dbraw/zinc/57/72/57/322577257.db2.gz LZZKIRADLYWMLR-FZMZJTMJSA-N 1 1 282.347 2.559 20 30 CFEDMO CC(C)CN(C(=O)[C@@H](C)[NH+]1CC(C)C1)c1ccc(C#N)cc1 ZINC000572854146 322634966 /nfs/dbraw/zinc/63/49/66/322634966.db2.gz YPVPEPZGWVSNIY-OAHLLOKOSA-N 1 1 299.418 2.887 20 30 CFEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)NCc1cccc(OC)c1 ZINC000121139841 328364978 /nfs/dbraw/zinc/36/49/78/328364978.db2.gz XLAVCJBUTUMDHL-AWEZNQCLSA-N 1 1 290.407 2.598 20 30 CFEDMO Cc1cc(C)c(NC(=O)C[NH2+]Cc2ccc(C#N)o2)c(C)c1 ZINC000174239507 323645755 /nfs/dbraw/zinc/64/57/55/323645755.db2.gz YFEPJTLGSDKZPH-UHFFFAOYSA-N 1 1 297.358 2.805 20 30 CFEDMO C[C@H]1CSCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192035209 324057130 /nfs/dbraw/zinc/05/71/30/324057130.db2.gz 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272.392 2.931 20 30 CFEDMO C[N@@H+](Cc1cccc(C#N)c1F)[C@@H](CO)C(C)(C)C ZINC000340875777 523296421 /nfs/dbraw/zinc/29/64/21/523296421.db2.gz GJBKLGBUZUKCMN-ZDUSSCGKSA-N 1 1 264.344 2.536 20 30 CFEDMO C[N@H+](Cc1cccc(C#N)c1F)C[C@@H]1CCCOC1 ZINC000223538132 523296596 /nfs/dbraw/zinc/29/65/96/523296596.db2.gz ZQXZUWCVNCSHKR-LBPRGKRZSA-N 1 1 262.328 2.556 20 30 CFEDMO CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000234093236 523351138 /nfs/dbraw/zinc/35/11/38/523351138.db2.gz NCUAWEIHBLLRIZ-DOMZBBRYSA-N 1 1 274.364 2.566 20 30 CFEDMO CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(C#N)c(OC)c1 ZINC000234093236 523351144 /nfs/dbraw/zinc/35/11/44/523351144.db2.gz NCUAWEIHBLLRIZ-DOMZBBRYSA-N 1 1 274.364 2.566 20 30 CFEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000336401799 523688831 /nfs/dbraw/zinc/68/88/31/523688831.db2.gz REAHQVLRPJIWKW-SMDDNHRTSA-N 1 1 262.328 2.697 20 30 CFEDMO CC[C@H](C)C[N@@H+](CC)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000223322642 523879668 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C=CC[N@H+](Cc1ccc(OC)cc1)Cc1ccnc(C)n1 ZINC000350550573 526340906 /nfs/dbraw/zinc/34/09/06/526340906.db2.gz AWXWXOGTGFYXNJ-UHFFFAOYSA-N 1 1 283.375 2.982 20 30 CFEDMO C=CC[N@@H+](Cc1nnc(C)n1C)CC1CCCCC1 ZINC000112202254 526382759 /nfs/dbraw/zinc/38/27/59/526382759.db2.gz DGCCPZGIXNJDRJ-UHFFFAOYSA-N 1 1 262.401 2.692 20 30 CFEDMO C=CC[N@H+](Cc1nnc(C)n1C)CC1CCCCC1 ZINC000112202254 526382762 /nfs/dbraw/zinc/38/27/62/526382762.db2.gz DGCCPZGIXNJDRJ-UHFFFAOYSA-N 1 1 262.401 2.692 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC)[C@@H]1CCOC(C)(C)C1 ZINC000351933933 526519467 /nfs/dbraw/zinc/51/94/67/526519467.db2.gz FXNMOKSUMUACFJ-OAHLLOKOSA-N 1 1 296.455 2.691 20 30 CFEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000335160139 526523844 /nfs/dbraw/zinc/52/38/44/526523844.db2.gz QPJIWJKJMRSEPQ-INIZCTEOSA-N 1 1 274.339 2.700 20 30 CFEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000335160139 526523848 /nfs/dbraw/zinc/52/38/48/526523848.db2.gz QPJIWJKJMRSEPQ-INIZCTEOSA-N 1 1 274.339 2.700 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000111235244 526535885 /nfs/dbraw/zinc/53/58/85/526535885.db2.gz KZJCXDQEOKFVOG-CQSZACIVSA-N 1 1 290.407 2.637 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000074233330 526612573 /nfs/dbraw/zinc/61/25/73/526612573.db2.gz CKVHBSBDCVOJDS-UHFFFAOYSA-N 1 1 297.324 2.628 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)cc1 ZINC000074233330 526612581 /nfs/dbraw/zinc/61/25/81/526612581.db2.gz CKVHBSBDCVOJDS-UHFFFAOYSA-N 1 1 297.324 2.628 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)CC23CCC3)cc1F ZINC000334970483 526616510 /nfs/dbraw/zinc/61/65/10/526616510.db2.gz YTVAGUFKFCKGAO-CQSZACIVSA-N 1 1 274.339 2.577 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1F ZINC000192079002 526616953 /nfs/dbraw/zinc/61/69/53/526616953.db2.gz JZUMLRWQURVAOC-GDBMZVCRSA-N 1 1 274.339 2.698 20 30 CFEDMO N#Cc1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)c(C(F)(F)F)c1 ZINC000336400591 526619403 /nfs/dbraw/zinc/61/94/03/526619403.db2.gz GOTGFLMNUIRWQW-ZDUSSCGKSA-N 1 1 296.292 2.534 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c(C(F)(F)F)c1 ZINC000336400591 526619408 /nfs/dbraw/zinc/61/94/08/526619408.db2.gz GOTGFLMNUIRWQW-ZDUSSCGKSA-N 1 1 296.292 2.534 20 30 CFEDMO C=C(C)CNC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000355946884 526620303 /nfs/dbraw/zinc/62/03/03/526620303.db2.gz YTEBTSFHHWCOAY-OAHLLOKOSA-N 1 1 260.381 2.589 20 30 CFEDMO C=C(C)CNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000347463874 526620914 /nfs/dbraw/zinc/62/09/14/526620914.db2.gz OGAGCJYWODCBSP-MNOVXSKESA-N 1 1 292.345 2.588 20 30 CFEDMO N#Cc1cccc(C[NH+]2CCN(c3cccs3)CC2)c1 ZINC000177056385 526703924 /nfs/dbraw/zinc/70/39/24/526703924.db2.gz VDKLXFBRZPVUSJ-UHFFFAOYSA-N 1 1 283.400 2.942 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCc3ccc(O)cc3C2)c1 ZINC000336436124 526704749 /nfs/dbraw/zinc/70/47/49/526704749.db2.gz ZNVCFGQJGVHUJR-UHFFFAOYSA-N 1 1 264.328 2.822 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCc3ccc(O)cc3C2)c1 ZINC000336436124 526704755 /nfs/dbraw/zinc/70/47/55/526704755.db2.gz ZNVCFGQJGVHUJR-UHFFFAOYSA-N 1 1 264.328 2.822 20 30 CFEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000087770982 526716439 /nfs/dbraw/zinc/71/64/39/526716439.db2.gz GVHFESGLGZZJEO-HOCLYGCPSA-N 1 1 283.375 2.761 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000336351892 526734900 /nfs/dbraw/zinc/73/49/00/526734900.db2.gz VJTRQRWVFWZLBS-KRWDZBQOSA-N 1 1 270.376 2.949 20 30 CFEDMO C=CCOCCC[N@H+](C)CCc1ccccc1OC ZINC000348047841 526746739 /nfs/dbraw/zinc/74/67/39/526746739.db2.gz LPDDXYVJJSTJKG-UHFFFAOYSA-N 1 1 263.381 2.762 20 30 CFEDMO C=C(C)[C@@H](CC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)OCC ZINC000344628665 526748833 /nfs/dbraw/zinc/74/88/33/526748833.db2.gz AJPUXKDYSRMZND-HUUCEWRRSA-N 1 1 296.455 2.594 20 30 CFEDMO C=CCOCCC[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000348057857 526752952 /nfs/dbraw/zinc/75/29/52/526752952.db2.gz UGPGPHCOPGWUEY-AWEZNQCLSA-N 1 1 283.412 2.775 20 30 CFEDMO N#Cc1csc(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000334785878 526781633 /nfs/dbraw/zinc/78/16/33/526781633.db2.gz GMQDZMAEKYTQBC-JKSUJKDBSA-N 1 1 290.432 2.993 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CCSC[C@H]2CCO)cc1 ZINC000355080833 526872293 /nfs/dbraw/zinc/87/22/93/526872293.db2.gz DWYZXMWHYDTACP-OAHLLOKOSA-N 1 1 293.432 2.551 20 30 CFEDMO CC(C)(C)c1ncc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cn1 ZINC000330273622 526882796 /nfs/dbraw/zinc/88/27/96/526882796.db2.gz ZLXZJNWFQUGOIH-ZDUSSCGKSA-N 1 1 288.395 2.989 20 30 CFEDMO CC(C)(C)c1ncc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cn1 ZINC000330273622 526882801 /nfs/dbraw/zinc/88/28/01/526882801.db2.gz ZLXZJNWFQUGOIH-ZDUSSCGKSA-N 1 1 288.395 2.989 20 30 CFEDMO C=CCOc1ccc(C[NH2+]Cc2nc(C#N)cs2)cc1 ZINC000352862196 526887148 /nfs/dbraw/zinc/88/71/48/526887148.db2.gz MXCOFOUPIIMHAR-UHFFFAOYSA-N 1 1 285.372 2.869 20 30 CFEDMO Cc1[nH+]c(CNc2c(C#N)cccc2C#N)c2n1CCCC2 ZINC000365552742 526893985 /nfs/dbraw/zinc/89/39/85/526893985.db2.gz WKWPTYQFUCIQCZ-UHFFFAOYSA-N 1 1 291.358 2.883 20 30 CFEDMO C=CCOc1cccc(CN2CCCC[C@@H]2CC[NH3+])c1 ZINC000352534763 526898964 /nfs/dbraw/zinc/89/89/64/526898964.db2.gz IWJKLQSFJPZCRJ-MRXNPFEDSA-N 1 1 274.408 2.955 20 30 CFEDMO C=CCOc1ccccc1CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353743810 526934033 /nfs/dbraw/zinc/93/40/33/526934033.db2.gz DBTBHIHKILSLMH-SJORKVTESA-N 1 1 286.419 2.920 20 30 CFEDMO C=CCC(C)(C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000352546276 527013401 /nfs/dbraw/zinc/01/34/01/527013401.db2.gz SIPZPUPFBIEQRI-CYBMUJFWSA-N 1 1 252.402 2.579 20 30 CFEDMO C=CCC1(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCC1 ZINC000347315295 527054665 /nfs/dbraw/zinc/05/46/65/527054665.db2.gz PORBDHKVBDJDLM-OAHLLOKOSA-N 1 1 276.424 2.866 20 30 CFEDMO C=CCCCCNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000351694251 527157991 /nfs/dbraw/zinc/15/79/91/527157991.db2.gz RXLNGOSDIWFQJY-OAHLLOKOSA-N 1 1 281.444 2.762 20 30 CFEDMO Cn1cc(C[N@@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1C#N ZINC000191353533 527206366 /nfs/dbraw/zinc/20/63/66/527206366.db2.gz HSMLTVKYPHDGCD-GOSISDBHSA-N 1 1 295.386 2.644 20 30 CFEDMO Cn1cc(C[N@H+]2CCO[C@@](C)(c3ccccc3)C2)cc1C#N ZINC000191353533 527206373 /nfs/dbraw/zinc/20/63/73/527206373.db2.gz HSMLTVKYPHDGCD-GOSISDBHSA-N 1 1 295.386 2.644 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344643665 527523115 /nfs/dbraw/zinc/52/31/15/527523115.db2.gz NAEXVBOIYZSPSM-BBRMVZONSA-N 1 1 266.429 2.825 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000345859568 527607766 /nfs/dbraw/zinc/60/77/66/527607766.db2.gz FICRDZYRABTNGI-INIZCTEOSA-N 1 1 278.440 2.945 20 30 CFEDMO CC(C)CCN(CCC#N)C(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000354815287 527713964 /nfs/dbraw/zinc/71/39/64/527713964.db2.gz UFMVUQBKULSPHL-CABCVRRESA-N 1 1 279.428 2.505 20 30 CFEDMO CC(C)[C@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000442896461 527861336 /nfs/dbraw/zinc/86/13/36/527861336.db2.gz GINRLDUOLPGUEE-CZUORRHYSA-N 1 1 258.365 2.976 20 30 CFEDMO CC(C)[C@H]1C[N@H+]([C@H](C)c2cccc(C#N)c2)CCO1 ZINC000442896461 527861342 /nfs/dbraw/zinc/86/13/42/527861342.db2.gz GINRLDUOLPGUEE-CZUORRHYSA-N 1 1 258.365 2.976 20 30 CFEDMO COC[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)CC1 ZINC000452096650 536524207 /nfs/dbraw/zinc/52/42/07/536524207.db2.gz YJTWBYVEYDEMKV-INIZCTEOSA-N 1 1 288.391 2.686 20 30 CFEDMO CCC[N@H+](Cc1cnc2ccc(C#N)cn12)CC1CC1 ZINC000154694656 528150516 /nfs/dbraw/zinc/15/05/16/528150516.db2.gz WFWQFVYRAVJWFG-UHFFFAOYSA-N 1 1 268.364 2.828 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)c(C)c1 ZINC001085797819 782166276 /nfs/dbraw/zinc/16/62/76/782166276.db2.gz AZRDBMQWGAMABA-CQSZACIVSA-N 1 1 292.810 2.981 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(Cl)c(C)c1 ZINC001085797819 782166280 /nfs/dbraw/zinc/16/62/80/782166280.db2.gz AZRDBMQWGAMABA-CQSZACIVSA-N 1 1 292.810 2.981 20 30 CFEDMO CCCC[N@@H+](CCOC)Cc1cc(C#N)ccc1OC ZINC000161251993 528438265 /nfs/dbraw/zinc/43/82/65/528438265.db2.gz VKBCXCKAQHNKBY-UHFFFAOYSA-N 1 1 276.380 2.815 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occc1CC ZINC001085801365 782167102 /nfs/dbraw/zinc/16/71/02/782167102.db2.gz QMKOFLWBABEBOR-CQSZACIVSA-N 1 1 276.380 2.564 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1occc1CC ZINC001085801365 782167093 /nfs/dbraw/zinc/16/70/93/782167093.db2.gz QMKOFLWBABEBOR-CQSZACIVSA-N 1 1 276.380 2.564 20 30 CFEDMO CCC(CC)C[N@@H+](CC)CC(=O)N(CC)CCC#N ZINC000353336636 528742915 /nfs/dbraw/zinc/74/29/15/528742915.db2.gz MPAMBLGBQRHGHG-UHFFFAOYSA-N 1 1 267.417 2.507 20 30 CFEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1csc(C)n1 ZINC000329809659 529059522 /nfs/dbraw/zinc/05/95/22/529059522.db2.gz QFWJLIHOVZTZLJ-CMPLNLGQSA-N 1 1 296.440 2.500 20 30 CFEDMO CC[N@H+]1CCN(CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000352664488 529142747 /nfs/dbraw/zinc/14/27/47/529142747.db2.gz BXUVPRDSTLVBLE-AWEZNQCLSA-N 1 1 251.418 2.732 20 30 CFEDMO CCN1CC[N@H+](CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000352664488 529142748 /nfs/dbraw/zinc/14/27/48/529142748.db2.gz BXUVPRDSTLVBLE-AWEZNQCLSA-N 1 1 251.418 2.732 20 30 CFEDMO CCN1CC[N@@H+](CCCCC(C)(C)C#N)[C@@H](C)C1 ZINC000352664488 529142750 /nfs/dbraw/zinc/14/27/50/529142750.db2.gz BXUVPRDSTLVBLE-AWEZNQCLSA-N 1 1 251.418 2.732 20 30 CFEDMO CCC[N@H+]1CC[C@@H](CNc2cccc(F)c2C#N)C1 ZINC000263763342 534948618 /nfs/dbraw/zinc/94/86/18/534948618.db2.gz VIODNVYKKDSKHY-LBPRGKRZSA-N 1 1 261.344 2.841 20 30 CFEDMO CC[N@H+]1CCC[C@H](CNc2cccc(C#N)c2[N+](=O)[O-])C1 ZINC000450289269 535569433 /nfs/dbraw/zinc/56/94/33/535569433.db2.gz OQHMODOELHDVOK-GFCCVEGCSA-N 1 1 288.351 2.610 20 30 CFEDMO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC(C)(C)C ZINC000459324880 536453043 /nfs/dbraw/zinc/45/30/43/536453043.db2.gz LIAWOUCNGYVZFK-UHFFFAOYSA-N 1 1 261.325 2.944 20 30 CFEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])CC(C)(C)C ZINC000459324880 536453044 /nfs/dbraw/zinc/45/30/44/536453044.db2.gz LIAWOUCNGYVZFK-UHFFFAOYSA-N 1 1 261.325 2.944 20 30 CFEDMO COC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(C#N)c2)CC1 ZINC000449773623 536526529 /nfs/dbraw/zinc/52/65/29/536526529.db2.gz IWQOMOLFHFVVIP-AWEZNQCLSA-N 1 1 288.391 2.815 20 30 CFEDMO COC[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)CC1 ZINC000449770240 536755832 /nfs/dbraw/zinc/75/58/32/536755832.db2.gz CSCADCNHAFPDJC-CQSZACIVSA-N 1 1 258.365 2.807 20 30 CFEDMO COc1cc(C[N@H+]2CCC[C@]3(CCOC3)C2)ccc1C#N ZINC000449686754 536758275 /nfs/dbraw/zinc/75/82/75/536758275.db2.gz ZTBFRYIUIAFMGG-KRWDZBQOSA-N 1 1 286.375 2.569 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@]12C[C@H]1CCCC2 ZINC001085802842 782169772 /nfs/dbraw/zinc/16/97/72/782169772.db2.gz CTQXDOYWVQCNAG-BFYDXBDKSA-N 1 1 276.424 2.676 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@]12C[C@@H]1CCCC2 ZINC001085803134 782170380 /nfs/dbraw/zinc/17/03/80/782170380.db2.gz IVVPSSLESAXATR-UXLLHSPISA-N 1 1 276.424 2.676 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001085829261 782176905 /nfs/dbraw/zinc/17/69/05/782176905.db2.gz SODVLHWXMWSMTD-OWCLPIDISA-N 1 1 278.440 2.777 20 30 CFEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C2CC2)nc1C ZINC001085824358 782176956 /nfs/dbraw/zinc/17/69/56/782176956.db2.gz GXJJUDGIEOOAQI-HNNXBMFYSA-N 1 1 299.418 2.600 20 30 CFEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C2CC2)nc1C ZINC001085824358 782176961 /nfs/dbraw/zinc/17/69/61/782176961.db2.gz GXJJUDGIEOOAQI-HNNXBMFYSA-N 1 1 299.418 2.600 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1Cc2ccccc2C1 ZINC001085837977 782178853 /nfs/dbraw/zinc/17/88/53/782178853.db2.gz XFRAAZKUXWVTAM-SFHVURJKSA-N 1 1 298.430 2.510 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)[nH]c1C ZINC001085846854 782184825 /nfs/dbraw/zinc/18/48/25/782184825.db2.gz STJLXRANVLAMMU-HNNXBMFYSA-N 1 1 289.423 2.744 20 30 CFEDMO C[C@@H]1CC(N=Nc2nc(-c3ccccc3)no2)C[N@H+]1C1CC1 ZINC000753960453 574059400 /nfs/dbraw/zinc/05/94/00/574059400.db2.gz SQDHKTRWLNOFTN-LLVKDONJSA-N 1 1 297.362 2.761 20 30 CFEDMO C[C@@H](O)[C@H]1CCCC[N@H+]1CCCOc1ccc(C#N)cc1 ZINC000730260987 574068483 /nfs/dbraw/zinc/06/84/83/574068483.db2.gz DOUJIMYLJFKWFF-RHSMWYFYSA-N 1 1 288.391 2.562 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCCCCC ZINC000730275418 574069473 /nfs/dbraw/zinc/06/94/73/574069473.db2.gz FACCQDNRQWMULS-INIZCTEOSA-N 1 1 278.440 2.951 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCCCCC ZINC000730275418 574069474 /nfs/dbraw/zinc/06/94/74/574069474.db2.gz FACCQDNRQWMULS-INIZCTEOSA-N 1 1 278.440 2.951 20 30 CFEDMO COc1cccc(N=NC2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000754257793 574084574 /nfs/dbraw/zinc/08/45/74/574084574.db2.gz IYDDMZHLRYONRD-LBPRGKRZSA-N 1 1 261.369 2.823 20 30 CFEDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(F)cc1C#N ZINC000745082140 574100343 /nfs/dbraw/zinc/10/03/43/574100343.db2.gz DQINDTCVQYQRRI-HNNXBMFYSA-N 1 1 290.338 2.615 20 30 CFEDMO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(F)cc1C#N ZINC000745082140 574100344 /nfs/dbraw/zinc/10/03/44/574100344.db2.gz DQINDTCVQYQRRI-HNNXBMFYSA-N 1 1 290.338 2.615 20 30 CFEDMO C=C1CC[NH+](C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000731033199 574108413 /nfs/dbraw/zinc/10/84/13/574108413.db2.gz XAUXMXSHNDZXGI-CQSZACIVSA-N 1 1 253.292 2.650 20 30 CFEDMO C=CC[N@@H+](CC(=O)c1cc(C)n(CCOC)c1C)C(C)C ZINC000754638708 574109847 /nfs/dbraw/zinc/10/98/47/574109847.db2.gz DLLUGPHSOXOGMZ-UHFFFAOYSA-N 1 1 292.423 2.830 20 30 CFEDMO C=CC[N@H+](CC(=O)c1cc(C)n(CCOC)c1C)C(C)C ZINC000754638708 574109849 /nfs/dbraw/zinc/10/98/49/574109849.db2.gz DLLUGPHSOXOGMZ-UHFFFAOYSA-N 1 1 292.423 2.830 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2CCCOC[C@H]2C)c1O ZINC000754739899 574117657 /nfs/dbraw/zinc/11/76/57/574117657.db2.gz GLGGXUMZEMJLJM-CYBMUJFWSA-N 1 1 291.391 2.740 20 30 CFEDMO COc1cc(C)cc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1O ZINC000754748348 574117984 /nfs/dbraw/zinc/11/79/84/574117984.db2.gz JSSFJBGQDVFHAK-LBPRGKRZSA-N 1 1 274.364 2.833 20 30 CFEDMO COc1cc(C)cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1O ZINC000754748348 574117986 /nfs/dbraw/zinc/11/79/86/574117986.db2.gz JSSFJBGQDVFHAK-LBPRGKRZSA-N 1 1 274.364 2.833 20 30 CFEDMO Cc1ccccc1NC(=S)NN=C1CC[N@@H+](C)[C@@H](C)C1 ZINC000741457604 574118307 /nfs/dbraw/zinc/11/83/07/574118307.db2.gz NZJOFRROGLLPPM-LBPRGKRZSA-N 1 1 290.436 2.752 20 30 CFEDMO CCCCCCCCCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC000746151431 574136933 /nfs/dbraw/zinc/13/69/33/574136933.db2.gz IJYBZJCDCMLVGJ-MRXNPFEDSA-N 1 1 298.471 2.916 20 30 CFEDMO CCCCCCCCCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC000746151431 574136936 /nfs/dbraw/zinc/13/69/36/574136936.db2.gz IJYBZJCDCMLVGJ-MRXNPFEDSA-N 1 1 298.471 2.916 20 30 CFEDMO C#CCNC(=O)C[N@H+](CCCC)[C@H](C)c1ccccc1 ZINC000746147646 574136956 /nfs/dbraw/zinc/13/69/56/574136956.db2.gz NYPMCEDNYVGZEA-OAHLLOKOSA-N 1 1 272.392 2.599 20 30 CFEDMO C#CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CCCCC1 ZINC000746178882 574138888 /nfs/dbraw/zinc/13/88/88/574138888.db2.gz UVPVAVXGMVQBJI-GASCZTMLSA-N 1 1 276.424 2.654 20 30 CFEDMO CC1(C)[C@@H]2C[N@H+](Cn3ccc(-c4ccc(C#N)cc4)n3)C[C@@H]21 ZINC000742166720 574143193 /nfs/dbraw/zinc/14/31/93/574143193.db2.gz PHDVXPQBDOTGGL-IYBDPMFKSA-N 1 1 292.386 2.967 20 30 CFEDMO CCCCCCCC(=O)N1CC[NH+](CCOC(C)C)CC1 ZINC000746351995 574146413 /nfs/dbraw/zinc/14/64/13/574146413.db2.gz 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CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001024635224 618427606 /nfs/dbraw/zinc/42/76/06/618427606.db2.gz CGJNFCAXMJDMRZ-JFIYKMOQSA-N 1 1 288.435 2.561 20 30 CFEDMO CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1occc1Cl ZINC001024636430 618428834 /nfs/dbraw/zinc/42/88/34/618428834.db2.gz RUQAZDLIRNGWNC-LBPRGKRZSA-N 1 1 294.782 2.541 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1occc1Cl ZINC001024636430 618428837 /nfs/dbraw/zinc/42/88/37/618428837.db2.gz RUQAZDLIRNGWNC-LBPRGKRZSA-N 1 1 294.782 2.541 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CCC ZINC001024640699 618429575 /nfs/dbraw/zinc/42/95/75/618429575.db2.gz BPEWRSCPAAFHQS-BZUAXINKSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@]12C[C@H]1CCCC2 ZINC001024645068 618432015 /nfs/dbraw/zinc/43/20/15/618432015.db2.gz CZSKUYRBIDJSHG-BFYDXBDKSA-N 1 1 276.424 2.723 20 30 CFEDMO CCCCCCC[C@H](C)[NH2+][C@H](C)c1n[nH]c(=O)n1C ZINC000895175177 618432592 /nfs/dbraw/zinc/43/25/92/618432592.db2.gz ICODKNDHLIAPME-NWDGAFQWSA-N 1 1 268.405 2.920 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001024664674 618437346 /nfs/dbraw/zinc/43/73/46/618437346.db2.gz WEDXSXMEOJHSAR-RBSFLKMASA-N 1 1 264.413 2.579 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001024681322 618442233 /nfs/dbraw/zinc/44/22/33/618442233.db2.gz OAVGDQZPXBBTLO-LSDHHAIUSA-N 1 1 276.424 2.723 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001024706573 618449717 /nfs/dbraw/zinc/44/97/17/618449717.db2.gz CMGDBYYCGGUCMX-IXDOHACOSA-N 1 1 290.451 2.969 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)c1nocc1C ZINC001024746650 618459283 /nfs/dbraw/zinc/45/92/83/618459283.db2.gz HOCOPUARTFUBIE-CQSZACIVSA-N 1 1 291.395 2.534 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)c(CC)o1 ZINC001024758418 618464357 /nfs/dbraw/zinc/46/43/57/618464357.db2.gz QHSHIVWAEGQPCG-CQSZACIVSA-N 1 1 290.407 2.921 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1sccc1OC ZINC001024770959 618466028 /nfs/dbraw/zinc/46/60/28/618466028.db2.gz AITWCLRBOWKWJH-LBPRGKRZSA-N 1 1 294.420 2.527 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1sccc1OC ZINC001024770959 618466033 /nfs/dbraw/zinc/46/60/33/618466033.db2.gz AITWCLRBOWKWJH-LBPRGKRZSA-N 1 1 294.420 2.527 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001024785841 618469011 /nfs/dbraw/zinc/46/90/11/618469011.db2.gz RIFSGGUTKVCDBS-QGZVFWFLSA-N 1 1 298.430 2.911 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001024785718 618469029 /nfs/dbraw/zinc/46/90/29/618469029.db2.gz NZVWBYQUCWKXEK-KRWDZBQOSA-N 1 1 298.430 2.911 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(F)cc(F)c1 ZINC001024793563 618470563 /nfs/dbraw/zinc/47/05/63/618470563.db2.gz ZRXGRFFXBQDZTR-HNNXBMFYSA-N 1 1 294.345 2.735 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1sc(C)nc1C ZINC001024793186 618470674 /nfs/dbraw/zinc/47/06/74/618470674.db2.gz SAWBSOYXJDEOQD-ZDUSSCGKSA-N 1 1 293.436 2.530 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1sc(C)nc1C ZINC001024793186 618470675 /nfs/dbraw/zinc/47/06/75/618470675.db2.gz SAWBSOYXJDEOQD-ZDUSSCGKSA-N 1 1 293.436 2.530 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001024793134 618470696 /nfs/dbraw/zinc/47/06/96/618470696.db2.gz RLUNYFMHTGBNLD-HNNXBMFYSA-N 1 1 297.402 2.938 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1scnc1Cl ZINC001024804536 618475140 /nfs/dbraw/zinc/47/51/40/618475140.db2.gz UVNXGRJHOMSEMJ-SNVBAGLBSA-N 1 1 299.827 2.567 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1scnc1Cl ZINC001024804536 618475142 /nfs/dbraw/zinc/47/51/42/618475142.db2.gz UVNXGRJHOMSEMJ-SNVBAGLBSA-N 1 1 299.827 2.567 20 30 CFEDMO C#Cc1cccc(NC(=S)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000726465219 618480438 /nfs/dbraw/zinc/48/04/38/618480438.db2.gz FZYNMJGYGSHZRD-JKSUJKDBSA-N 1 1 299.443 2.581 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](Cc2cnc3onc(C)c3c2)C1 ZINC000895390754 618563836 /nfs/dbraw/zinc/56/38/36/618563836.db2.gz XRYIAHFJAFMRLS-GFCCVEGCSA-N 1 1 257.337 2.929 20 30 CFEDMO C#CCCOc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)cc1 ZINC000895437442 618585453 /nfs/dbraw/zinc/58/54/53/618585453.db2.gz LIRSUIOVWBSPIB-QZTJIDSGSA-N 1 1 287.403 2.824 20 30 CFEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(=O)OC ZINC000895442595 618589036 /nfs/dbraw/zinc/58/90/36/618589036.db2.gz CYDJXJCHFNABQN-CABCVRRESA-N 1 1 295.423 2.966 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c1 ZINC000310693353 618606729 /nfs/dbraw/zinc/60/67/29/618606729.db2.gz YLMISGSTLXHRCZ-LBPRGKRZSA-N 1 1 254.255 2.942 20 30 CFEDMO CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1cccc(C#N)c1[O-] ZINC000924568815 618613199 /nfs/dbraw/zinc/61/31/99/618613199.db2.gz DAYKFELWMCZZLF-INIZCTEOSA-N 1 1 287.407 2.789 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000310764530 618636546 /nfs/dbraw/zinc/63/65/46/618636546.db2.gz MJONRVLOKFPKGD-LBPRGKRZSA-N 1 1 254.255 2.942 20 30 CFEDMO Cc1cc(C#N)nc(N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000892693053 618713537 /nfs/dbraw/zinc/71/35/37/618713537.db2.gz ANOAQAHQLCUHQC-OAHLLOKOSA-N 1 1 272.396 2.572 20 30 CFEDMO C=CCCCN(CC)C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000892695181 618715431 /nfs/dbraw/zinc/71/54/31/618715431.db2.gz HXAFJHGQBZKNJM-CQSZACIVSA-N 1 1 269.433 2.714 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000892808915 618749371 /nfs/dbraw/zinc/74/93/71/618749371.db2.gz FGTJCLNUFANLTO-HZPDHXFCSA-N 1 1 297.402 2.532 20 30 CFEDMO C[C@@H]1C[C@@H](Nc2cc(C#N)sc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000892876010 618761874 /nfs/dbraw/zinc/76/18/74/618761874.db2.gz MQUDSOKWUYPYHJ-RKDXNWHRSA-N 1 1 292.364 2.565 20 30 CFEDMO C#CCC[N@@H+](CCOC)Cc1ccsc1Cl ZINC000852750496 618779991 /nfs/dbraw/zinc/77/99/91/618779991.db2.gz WQNVUKHDSJDKMU-UHFFFAOYSA-N 1 1 257.786 2.873 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1ccsc1Cl ZINC000852750496 618779994 /nfs/dbraw/zinc/77/99/94/618779994.db2.gz WQNVUKHDSJDKMU-UHFFFAOYSA-N 1 1 257.786 2.873 20 30 CFEDMO C[C@H]1CC(N=Nc2ccc(Cl)cn2)CC[N@H+]1C ZINC000853438078 618842025 /nfs/dbraw/zinc/84/20/25/618842025.db2.gz ZEBVWNJIMSKSHF-VIFPVBQESA-N 1 1 252.749 2.617 20 30 CFEDMO CCc1noc(CC)c1C[NH2+]CC#Cc1ccccc1 ZINC000893167557 618859050 /nfs/dbraw/zinc/85/90/50/618859050.db2.gz GLXCPVCCDXRESO-UHFFFAOYSA-N 1 1 268.360 2.941 20 30 CFEDMO C=CCC[N@H+]1CCC[C@H](NC(=O)CC2CCCC2)C1 ZINC001006621685 618914989 /nfs/dbraw/zinc/91/49/89/618914989.db2.gz IZIPWHOENBDUIC-HNNXBMFYSA-N 1 1 264.413 2.723 20 30 CFEDMO C#CCCC[NH2+]Cc1cc(C)cc(Br)c1O ZINC000309929469 618926962 /nfs/dbraw/zinc/92/69/62/618926962.db2.gz XFBVBAPMUDWFII-UHFFFAOYSA-N 1 1 282.181 2.966 20 30 CFEDMO C[C@H](C#N)OCC[NH2+][C@@H](C(F)F)C1CCCCC1 ZINC000856822350 618934761 /nfs/dbraw/zinc/93/47/61/618934761.db2.gz JTDHWCFRPTUHEU-ZYHUDNBSSA-N 1 1 260.328 2.719 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931314038 618940550 /nfs/dbraw/zinc/94/05/50/618940550.db2.gz ITDZQWFZKONITO-OLMNPRSZSA-N 1 1 283.419 2.893 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931314038 618940551 /nfs/dbraw/zinc/94/05/51/618940551.db2.gz ITDZQWFZKONITO-OLMNPRSZSA-N 1 1 283.419 2.893 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931314038 618940552 /nfs/dbraw/zinc/94/05/52/618940552.db2.gz ITDZQWFZKONITO-OLMNPRSZSA-N 1 1 283.419 2.893 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001006669976 618950724 /nfs/dbraw/zinc/95/07/24/618950724.db2.gz WRGYIDPNXCJINJ-CQSZACIVSA-N 1 1 276.380 2.748 20 30 CFEDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](CC2CCC(C#N)CC2)[C@@H](C)C1 ZINC000931338413 618951645 /nfs/dbraw/zinc/95/16/45/618951645.db2.gz QQLLRAZWEHKEFX-OAADTKLRSA-N 1 1 292.423 2.978 20 30 CFEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C=C)cc2)C1 ZINC001008622060 618953925 /nfs/dbraw/zinc/95/39/25/618953925.db2.gz OTHFJLZWVYKGPS-MRXNPFEDSA-N 1 1 270.376 2.710 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)c1nnc2n1CCC2 ZINC000893397257 618964359 /nfs/dbraw/zinc/96/43/59/618964359.db2.gz PYHPGXCACQNIDH-CYBMUJFWSA-N 1 1 295.390 2.564 20 30 CFEDMO C[C@H]1CCCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000070409592 625313030 /nfs/dbraw/zinc/31/30/30/625313030.db2.gz LIXCQNPJRBIKFK-BBRMVZONSA-N 1 1 258.365 2.856 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777737269 618987461 /nfs/dbraw/zinc/98/74/61/618987461.db2.gz VSOSGQZCMHDBAB-XJKSGUPXSA-N 1 1 261.340 2.521 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001009684840 619013320 /nfs/dbraw/zinc/01/33/20/619013320.db2.gz SJXUEWZPJXTNRO-INIZCTEOSA-N 1 1 298.430 2.946 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000893479973 619014207 /nfs/dbraw/zinc/01/42/07/619014207.db2.gz GCMTVMRZIRKTPP-HNNXBMFYSA-N 1 1 299.418 2.635 20 30 CFEDMO C[C@H]([C@H](C)/N=C/c1cc(Cl)ccc1O)[NH+]1CCOCC1 ZINC000105356531 619090319 /nfs/dbraw/zinc/09/03/19/619090319.db2.gz BCFVARSEJWVUCK-VUUKMUNDSA-N 1 1 296.798 2.574 20 30 CFEDMO C#CCOc1ccc(CNC[C@H]2CCCC[N@H+]2CC)cc1 ZINC000236821869 619121878 /nfs/dbraw/zinc/12/18/78/619121878.db2.gz SKMXTUALKXPFPD-QGZVFWFLSA-N 1 1 286.419 2.663 20 30 CFEDMO C#CCOc1ccc(CNC[C@H]2CCCC[N@@H+]2CC)cc1 ZINC000236821869 619121880 /nfs/dbraw/zinc/12/18/80/619121880.db2.gz SKMXTUALKXPFPD-QGZVFWFLSA-N 1 1 286.419 2.663 20 30 CFEDMO C#CCCCCCC[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931932706 619161828 /nfs/dbraw/zinc/16/18/28/619161828.db2.gz BPXQQOLWQATSJM-AWEZNQCLSA-N 1 1 261.369 2.751 20 30 CFEDMO C=CC(C)(C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000893878087 619234155 /nfs/dbraw/zinc/23/41/55/619234155.db2.gz NWXBGZFJLYQFTO-HUUCEWRRSA-N 1 1 287.407 2.696 20 30 CFEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000878661345 619281896 /nfs/dbraw/zinc/28/18/96/619281896.db2.gz BVKMWVCUJCNHPI-QWHCGFSZSA-N 1 1 252.402 2.565 20 30 CFEDMO C#CCOc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC000108291172 619283325 /nfs/dbraw/zinc/28/33/25/619283325.db2.gz YTKJQCIFGGPPMG-MRXNPFEDSA-N 1 1 286.375 2.512 20 30 CFEDMO C[C@@H](C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)C(C)(C)C ZINC000878771615 619296042 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/nfs/dbraw/zinc/13/96/93/621139693.db2.gz XMSQLRMGXDKICJ-ZFWWWQNUSA-N 1 1 276.355 2.619 20 30 CFEDMO CC(C)C[C@@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)N(C)C ZINC000902740309 621156329 /nfs/dbraw/zinc/15/63/29/621156329.db2.gz RKZYXECHRALTLD-ZFWWWQNUSA-N 1 1 274.412 2.580 20 30 CFEDMO C=CCC[C@@H]([NH2+]CCCN(C)C)[C@@]1(C)CCCCO1 ZINC000902720359 621156683 /nfs/dbraw/zinc/15/66/83/621156683.db2.gz IIDFKGFXVOQBBM-HZPDHXFCSA-N 1 1 268.445 2.822 20 30 CFEDMO C[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccccn1 ZINC000902721164 621156933 /nfs/dbraw/zinc/15/69/33/621156933.db2.gz VGICSFVAHHPSQF-VXGBXAGGSA-N 1 1 252.321 2.760 20 30 CFEDMO CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(C#N)c1 ZINC000902752070 621164679 /nfs/dbraw/zinc/16/46/79/621164679.db2.gz GCSXEQKDRVOOAR-DOTOQJQBSA-N 1 1 271.408 2.941 20 30 CFEDMO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1cc(C#N)ccn1 ZINC000902759344 621166800 /nfs/dbraw/zinc/16/68/00/621166800.db2.gz UXKZBPUWUYYAOI-NSHDSACASA-N 1 1 281.315 2.533 20 30 CFEDMO Cc1ncsc1C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902794268 621178226 /nfs/dbraw/zinc/17/82/26/621178226.db2.gz USENJLDUEDRJOI-VIFPVBQESA-N 1 1 258.350 2.569 20 30 CFEDMO CCC1(CC(N)=[NH+]OCc2ccc(F)cc2C#N)COC1 ZINC000902874469 621194543 /nfs/dbraw/zinc/19/45/43/621194543.db2.gz HICPRIGNPTXVCD-UHFFFAOYSA-N 1 1 291.326 2.513 20 30 CFEDMO CC(=NOCCCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000902856854 621195806 /nfs/dbraw/zinc/19/58/06/621195806.db2.gz UEOUQOZNQDWTFF-UHFFFAOYSA-N 1 1 275.327 2.933 20 30 CFEDMO COC(=O)c1csc([C@@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000903035675 621230674 /nfs/dbraw/zinc/23/06/74/621230674.db2.gz SIWDWQPSZSSYSM-SNVBAGLBSA-N 1 1 278.377 2.879 20 30 CFEDMO CCCn1cc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)nn1 ZINC000903035392 621230875 /nfs/dbraw/zinc/23/08/75/621230875.db2.gz NYPBARBGTOHQPE-CYBMUJFWSA-N 1 1 283.379 2.605 20 30 CFEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1cnn(-c2ccccc2)c1 ZINC000903102138 621253158 /nfs/dbraw/zinc/25/31/58/621253158.db2.gz SQUUFIAYJDJXJV-CYBMUJFWSA-N 1 1 266.348 2.827 20 30 CFEDMO COC(=O)c1csc([C@@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000903101567 621253441 /nfs/dbraw/zinc/25/34/41/621253441.db2.gz JAGHFZMQRMZGRA-SECBINFHSA-N 1 1 266.366 2.735 20 30 CFEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(C(F)F)nc1 ZINC000903105627 621254789 /nfs/dbraw/zinc/25/47/89/621254789.db2.gz GHQXDILMIHQPQV-VIFPVBQESA-N 1 1 251.280 2.974 20 30 CFEDMO COc1cccc2c1OCCC[C@H]2[NH2+]CC1(C#N)CC1 ZINC000903105676 621254904 /nfs/dbraw/zinc/25/49/04/621254904.db2.gz HSVWULYFFSXTJC-CYBMUJFWSA-N 1 1 272.348 2.802 20 30 CFEDMO N#CC1(C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000903105581 621255088 /nfs/dbraw/zinc/25/50/88/621255088.db2.gz FEBOZMOALWCAGB-CYBMUJFWSA-N 1 1 260.312 2.933 20 30 CFEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(C(F)F)nc1 ZINC000903105626 621255243 /nfs/dbraw/zinc/25/52/43/621255243.db2.gz GHQXDILMIHQPQV-SECBINFHSA-N 1 1 251.280 2.974 20 30 CFEDMO C[C@H]([NH2+]CC1(C#N)CCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000903108943 621256226 /nfs/dbraw/zinc/25/62/26/621256226.db2.gz IQIQNKMYEAHNSA-LBPRGKRZSA-N 1 1 299.374 2.752 20 30 CFEDMO COc1cc([C@@H](C)[NH2+]CC(C)(C)C#N)cc([N+](=O)[O-])c1 ZINC000903222395 621293333 /nfs/dbraw/zinc/29/33/33/621293333.db2.gz ZNHHVIUDUGXJSW-SNVBAGLBSA-N 1 1 277.324 2.804 20 30 CFEDMO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ncccn2)C2CC2)C1 ZINC000903327763 621339390 /nfs/dbraw/zinc/33/93/90/621339390.db2.gz YLUKBNTUEJXHHJ-MRVWCRGKSA-N 1 1 256.353 2.600 20 30 CFEDMO C[N@@H+](CC1CCC(C#N)CC1)C1(CN)CCCCC1 ZINC000903482340 621392200 /nfs/dbraw/zinc/39/22/00/621392200.db2.gz CZDPJKNICOVGOW-UHFFFAOYSA-N 1 1 263.429 2.910 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@@H]1CN ZINC000903717135 621424403 /nfs/dbraw/zinc/42/44/03/621424403.db2.gz HMEVFQPGOLUYKB-HUUCEWRRSA-N 1 1 263.429 2.910 20 30 CFEDMO C[C@@H]1CCCN(CCCCC2(C#N)CCC2)[C@@H]1C[NH3+] ZINC000903717135 621424407 /nfs/dbraw/zinc/42/44/07/621424407.db2.gz HMEVFQPGOLUYKB-HUUCEWRRSA-N 1 1 263.429 2.910 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCC(=O)N(O)Cc1ccc(F)cc1 ZINC000904173083 621541769 /nfs/dbraw/zinc/54/17/69/621541769.db2.gz GIRDXDULPACKTP-HNNXBMFYSA-N 1 1 294.370 2.808 20 30 CFEDMO CCCCCCN(O)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000904206792 621543880 /nfs/dbraw/zinc/54/38/80/621543880.db2.gz IGUHGMKALIRPIQ-ZDUSSCGKSA-N 1 1 279.384 2.552 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc([C@H]2CCO[C@H](C)C2)no1 ZINC000904626478 621617272 /nfs/dbraw/zinc/61/72/72/621617272.db2.gz RFCZKTVFTFEDHD-WOPDTQHZSA-N 1 1 265.357 2.708 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H]2CCOC[C@@H]2C)no1 ZINC000904711111 621628334 /nfs/dbraw/zinc/62/83/34/621628334.db2.gz GJPBKLRWXBDFQS-TUAOUCFPSA-N 1 1 265.357 2.566 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(C2(COC)CCCC2)no1 ZINC000904731803 621632882 /nfs/dbraw/zinc/63/28/82/621632882.db2.gz JUEWHLHNBZJBBC-LBPRGKRZSA-N 1 1 279.384 2.884 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2c(C)noc2C)no1 ZINC000904733348 621633498 /nfs/dbraw/zinc/63/34/98/621633498.db2.gz HGFJCNVNPBHFSC-SNVBAGLBSA-N 1 1 262.313 2.698 20 30 CFEDMO Cc1cc(OC(=O)[C@@H]2CCC[N@H+]2C(C)C)ccc1C#N ZINC000904901953 621669973 /nfs/dbraw/zinc/66/99/73/621669973.db2.gz JZAXWXZCLGERTC-HNNXBMFYSA-N 1 1 272.348 2.645 20 30 CFEDMO Cc1cc(OC(=O)[C@@H]2CCC[N@@H+]2C(C)C)ccc1C#N ZINC000904901953 621669974 /nfs/dbraw/zinc/66/99/74/621669974.db2.gz JZAXWXZCLGERTC-HNNXBMFYSA-N 1 1 272.348 2.645 20 30 CFEDMO C[N@H+]1CC[C@H]1C/N=C/c1c(O)ccc2ccccc21 ZINC000905001902 621680121 /nfs/dbraw/zinc/68/01/21/621680121.db2.gz CWKBKOLQVRLHDK-HNEYUBDGSA-N 1 1 254.333 2.668 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000905668338 621814408 /nfs/dbraw/zinc/81/44/08/621814408.db2.gz IFKZVZXPXNRNEQ-CQSZACIVSA-N 1 1 275.327 2.509 20 30 CFEDMO N#C[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000905721400 621833043 /nfs/dbraw/zinc/83/30/43/621833043.db2.gz QTDBCISUBWLAHG-LBPRGKRZSA-N 1 1 267.332 2.676 20 30 CFEDMO C=CC[C@@H]([NH2+]CCC[C@H]1CC1(Cl)Cl)C(=O)OC ZINC000905776778 621845070 /nfs/dbraw/zinc/84/50/70/621845070.db2.gz BSBXKAOHRHEPHN-VHSXEESVSA-N 1 1 280.195 2.668 20 30 CFEDMO C=CC[C@H]([NH2+]C1CCC(OC(C)(C)C)CC1)C(=O)OC ZINC000905778827 621845937 /nfs/dbraw/zinc/84/59/37/621845937.db2.gz TXVWJIKCVHIDPP-RUXDESIVSA-N 1 1 283.412 2.820 20 30 CFEDMO C=CC[C@@H]([NH2+]CC[C@H]1CCCC1(F)F)C(=O)OC ZINC000905782186 621847550 /nfs/dbraw/zinc/84/75/50/621847550.db2.gz ZBMIMICYRVRMRG-GHMZBOCLSA-N 1 1 261.312 2.519 20 30 CFEDMO C=CC[C@@H]([NH2+]CC(C)(C)CC(F)(F)F)C(=O)OC ZINC000905774218 621862468 /nfs/dbraw/zinc/86/24/68/621862468.db2.gz NLQARWACAVCRLI-SECBINFHSA-N 1 1 267.291 2.672 20 30 CFEDMO CC[NH+](CC)Cc1cn(Cc2c(C)cc(C#N)cc2C)nn1 ZINC000905828195 621879106 /nfs/dbraw/zinc/87/91/06/621879106.db2.gz SBTXEWDCJNMMCR-UHFFFAOYSA-N 1 1 297.406 2.657 20 30 CFEDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC1(C)C ZINC000905959274 621912375 /nfs/dbraw/zinc/91/23/75/621912375.db2.gz SCJJLPXFZGLFLU-KBPBESRZSA-N 1 1 264.413 2.798 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000905980092 621913625 /nfs/dbraw/zinc/91/36/25/621913625.db2.gz ZICNFCSEEWQPFS-KRWDZBQOSA-N 1 1 299.418 2.639 20 30 CFEDMO Cc1cc(C(=O)NCCC[N@H+](C)C(C)C)cc(C)c1C#N ZINC000906100659 621930787 /nfs/dbraw/zinc/93/07/87/621930787.db2.gz DQZAPHRMCVSNOM-UHFFFAOYSA-N 1 1 287.407 2.635 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(-c2cnco2)cc1 ZINC000906496596 621993355 /nfs/dbraw/zinc/99/33/55/621993355.db2.gz UZWQWPVVILKRNV-CQSZACIVSA-N 1 1 280.331 2.875 20 30 CFEDMO CC[C@H](C)[N@@H+](C)CCNC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000906523662 621997205 /nfs/dbraw/zinc/99/72/05/621997205.db2.gz JRUCTXSZSMJDMH-GIOUXUJVSA-N 1 1 291.439 2.553 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000906547749 622003335 /nfs/dbraw/zinc/00/33/35/622003335.db2.gz HCXHCUMCEPDDRK-GFCCVEGCSA-N 1 1 289.354 2.758 20 30 CFEDMO C#CCCCCCC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000832949954 625540750 /nfs/dbraw/zinc/54/07/50/625540750.db2.gz RVBBCEFEVDVWGV-OAHLLOKOSA-N 1 1 276.424 2.513 20 30 CFEDMO C=C[C@@H]1CCCCN1C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000907809425 622166650 /nfs/dbraw/zinc/16/66/50/622166650.db2.gz YYJSBHQBZULPRQ-QLFBSQMISA-N 1 1 262.397 2.570 20 30 CFEDMO Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc(C)c1C#N ZINC000908260899 622209311 /nfs/dbraw/zinc/20/93/11/622209311.db2.gz FBLSHWQZNKAUOG-AWEZNQCLSA-N 1 1 287.407 2.634 20 30 CFEDMO Cc1[nH+]ccn1CCOC(=O)c1c(C)cc(C#N)cc1C ZINC000909801120 622352307 /nfs/dbraw/zinc/35/23/07/622352307.db2.gz DBPRZYBHBTZZGE-UHFFFAOYSA-N 1 1 283.331 2.537 20 30 CFEDMO CC[N@H+]1CCCN(C(=O)/C=C\c2ccccc2C#N)[C@H](C)C1 ZINC000910292374 622429988 /nfs/dbraw/zinc/42/99/88/622429988.db2.gz DTIXBKINZLUSBN-FJVVXJACSA-N 1 1 297.402 2.514 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC3(F)F)CCC[C@H]12 ZINC000991299492 622504633 /nfs/dbraw/zinc/50/46/33/622504633.db2.gz LQVRTPOGXGAZGB-VNHYZAJKSA-N 1 1 298.377 2.721 20 30 CFEDMO N#CC1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCCCC1 ZINC000912528994 622740960 /nfs/dbraw/zinc/74/09/60/622740960.db2.gz VUXSXRLAZIBUIR-HUUCEWRRSA-N 1 1 289.423 2.594 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000913430756 622901625 /nfs/dbraw/zinc/90/16/25/622901625.db2.gz FXOFNQQEDUCSNL-CYBMUJFWSA-N 1 1 289.354 2.758 20 30 CFEDMO C=C(Cl)CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000054992909 622930857 /nfs/dbraw/zinc/93/08/57/622930857.db2.gz XYBFGZFQJOUJDY-UHFFFAOYSA-N 1 1 264.800 2.947 20 30 CFEDMO C=CCc1cc(C[N@H+](C)CCCOC)c(O)c(OC)c1 ZINC000164215191 622942424 /nfs/dbraw/zinc/94/24/24/622942424.db2.gz AUCYOWIQVHUSJH-UHFFFAOYSA-N 1 1 279.380 2.598 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C3(F)CCCC3)CCC[C@@H]12 ZINC000991498860 622946092 /nfs/dbraw/zinc/94/60/92/622946092.db2.gz CEUVKHHZEKEMSW-CZUORRHYSA-N 1 1 280.387 2.568 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+](C)C[C@H]2CCCO2)c1O ZINC000164355870 622950357 /nfs/dbraw/zinc/95/03/57/622950357.db2.gz HSMRDTAASOUDNW-OAHLLOKOSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)C3(F)CCCC3)CCC[C@@H]12 ZINC000991505400 622951035 /nfs/dbraw/zinc/95/10/35/622951035.db2.gz SLGCBGUQXNMENS-RHSMWYFYSA-N 1 1 294.414 2.958 20 30 CFEDMO Cc1ccccc1C[N@@H+]1CCCN(C(=O)C#CC(C)C)CC1 ZINC000821822142 622984462 /nfs/dbraw/zinc/98/44/62/622984462.db2.gz LVNAMFLGSZLEPN-UHFFFAOYSA-N 1 1 298.430 2.689 20 30 CFEDMO CC(C)(CNCc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000057567031 623004694 /nfs/dbraw/zinc/00/46/94/623004694.db2.gz ACUAEQQYAFTXRQ-UHFFFAOYSA-N 1 1 271.408 2.912 20 30 CFEDMO CCCCCCCCC[N@@H+]1CCO[C@H](C(=O)OC)C1 ZINC000157201846 623013176 /nfs/dbraw/zinc/01/31/76/623013176.db2.gz ZHIGQPMLTMKVQT-AWEZNQCLSA-N 1 1 271.401 2.611 20 30 CFEDMO CCCCCCCCC[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000157201846 623013181 /nfs/dbraw/zinc/01/31/81/623013181.db2.gz ZHIGQPMLTMKVQT-AWEZNQCLSA-N 1 1 271.401 2.611 20 30 CFEDMO CCCCCCC[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000157658020 623044053 /nfs/dbraw/zinc/04/40/53/623044053.db2.gz RQDNSXBDDBZDDQ-OAHLLOKOSA-N 1 1 254.418 2.805 20 30 CFEDMO C#CC[N@H+](CCC(=O)OC(C)C)Cc1ccc(F)cc1 ZINC000157834988 623071055 /nfs/dbraw/zinc/07/10/55/623071055.db2.gz GIGYAJJLYHPRKC-UHFFFAOYSA-N 1 1 277.339 2.603 20 30 CFEDMO CCCCCCC[N@@H+](C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000158058629 623088207 /nfs/dbraw/zinc/08/82/07/623088207.db2.gz KQALRGJJBMAJQB-CQSZACIVSA-N 1 1 273.442 2.608 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000595616665 623105473 /nfs/dbraw/zinc/10/54/73/623105473.db2.gz SHKRCQNIOJZKOH-AWEZNQCLSA-N 1 1 296.374 2.513 20 30 CFEDMO COc1ccc(CO[NH+]=C(N)C2CCCC2)cc1F ZINC000060741931 623151132 /nfs/dbraw/zinc/15/11/32/623151132.db2.gz AZWSHRMSOABLQS-UHFFFAOYSA-N 1 1 266.316 2.813 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc([C@H]2CCOc3ccccc32)no1 ZINC000822802933 623177568 /nfs/dbraw/zinc/17/75/68/623177568.db2.gz DRABWTLLKLYDAM-STQMWFEESA-N 1 1 298.346 2.678 20 30 CFEDMO C[C@@H](c1noc([C@H]([NH3+])CCCC#N)n1)C(C)(C)C ZINC000822827881 623182724 /nfs/dbraw/zinc/18/27/24/623182724.db2.gz SPODANXIATUMNK-VHSXEESVSA-N 1 1 250.346 2.913 20 30 CFEDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](CCCCC#N)C1 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1 1 276.355 2.732 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000777439204 628226005 /nfs/dbraw/zinc/22/60/05/628226005.db2.gz WTVUWELQAMYVFP-GOSISDBHSA-N 1 1 296.345 2.791 20 30 CFEDMO COC[C@H](C)NN=C1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000777902508 628263589 /nfs/dbraw/zinc/26/35/89/628263589.db2.gz KCLIFEBOINSZEZ-GJZGRUSLSA-N 1 1 289.423 2.509 20 30 CFEDMO COC[C@H](C)NN=C1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000777902508 628263592 /nfs/dbraw/zinc/26/35/92/628263592.db2.gz KCLIFEBOINSZEZ-GJZGRUSLSA-N 1 1 289.423 2.509 20 30 CFEDMO C=C(C)C[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777961301 628268126 /nfs/dbraw/zinc/26/81/26/628268126.db2.gz XWJJEULNRSIBGG-UHFFFAOYSA-N 1 1 286.335 2.924 20 30 CFEDMO C=C(C)C[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777961301 628268128 /nfs/dbraw/zinc/26/81/28/628268128.db2.gz XWJJEULNRSIBGG-UHFFFAOYSA-N 1 1 286.335 2.924 20 30 CFEDMO C=C(C)C[N@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000777962496 628268226 /nfs/dbraw/zinc/26/82/26/628268226.db2.gz CNATVGGOYORVRY-UHFFFAOYSA-N 1 1 266.348 2.887 20 30 CFEDMO C=C(C)C[N@@H+](C)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000777962496 628268230 /nfs/dbraw/zinc/26/82/30/628268230.db2.gz CNATVGGOYORVRY-UHFFFAOYSA-N 1 1 266.348 2.887 20 30 CFEDMO CCCCCCCC[N@H+]1CC[C@H](OC)C[C@@H]1C(=O)OC ZINC000778232193 628290638 /nfs/dbraw/zinc/29/06/38/628290638.db2.gz GJHLGADZTCWIJR-LSDHHAIUSA-N 1 1 285.428 2.999 20 30 CFEDMO C#CCOCC[N@@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000852087299 634647040 /nfs/dbraw/zinc/64/70/40/634647040.db2.gz YMAHOUMVYLJHKS-KRWDZBQOSA-N 1 1 257.377 2.688 20 30 CFEDMO CC[C@@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000778389574 628303593 /nfs/dbraw/zinc/30/35/93/628303593.db2.gz ZQFDNNKMOWAILU-OAHLLOKOSA-N 1 1 294.782 2.589 20 30 CFEDMO C[N@H+]1CCC[C@@]2(CCN([C@@H](C#N)c3ccccc3)C2)C1 ZINC000852092302 634648468 /nfs/dbraw/zinc/64/84/68/634648468.db2.gz SSZLOHVFQJFWDM-DLBZAZTESA-N 1 1 269.392 2.669 20 30 CFEDMO Cc1[nH+]ccn1CCCCOC(=O)c1sccc1C#N ZINC000778790142 628332343 /nfs/dbraw/zinc/33/23/43/628332343.db2.gz AHQCRYKFCHSWJN-UHFFFAOYSA-N 1 1 289.360 2.762 20 30 CFEDMO C#CCOCC[N@H+]1[C@H](C)C[C@H](c2ccccc2)[C@@H]1C ZINC000852096421 634650392 /nfs/dbraw/zinc/65/03/92/634650392.db2.gz BKDAMAJZJBHDHK-VYDXJSESSA-N 1 1 257.377 2.903 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@H](O)[C@@H](CC)C1 ZINC000779168236 628357740 /nfs/dbraw/zinc/35/77/40/628357740.db2.gz MRRJTPBLSPDCAO-WFASDCNBSA-N 1 1 293.794 2.555 20 30 CFEDMO C#CCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779742222 628398770 /nfs/dbraw/zinc/39/87/70/628398770.db2.gz MEYJKAIHISYDHA-GOSISDBHSA-N 1 1 298.430 2.961 20 30 CFEDMO COCCON=C(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779774532 628402090 /nfs/dbraw/zinc/40/20/90/628402090.db2.gz HQXGSMJTYPUJSF-INIZCTEOSA-N 1 1 276.380 2.547 20 30 CFEDMO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc2c3c(cccc31)CC2 ZINC000779794668 628407232 /nfs/dbraw/zinc/40/72/32/628407232.db2.gz KPFHVFMLXFKVFM-NSHDSACASA-N 1 1 292.386 2.600 20 30 CFEDMO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cc2cc(Cl)ccc2o1 ZINC000779797200 628407418 /nfs/dbraw/zinc/40/74/18/628407418.db2.gz BSPORVRUNOZGMO-MRVPVSSYSA-N 1 1 290.754 2.748 20 30 CFEDMO O=[N+]([O-])c1cc(C=NNc2cc[nH+]cc2)ccc1Cl ZINC000779808531 628408580 /nfs/dbraw/zinc/40/85/80/628408580.db2.gz BIOMBHMJLYFANL-UHFFFAOYSA-N 1 1 276.683 2.511 20 30 CFEDMO CC(=[NH+][N-]c1cc[nH+]cc1)c1ccc(N2CCCC2)cc1O ZINC000779809091 628408707 /nfs/dbraw/zinc/40/87/07/628408707.db2.gz LCCJMIDUVJOXQW-UHFFFAOYSA-N 1 1 296.374 2.645 20 30 CFEDMO Clc1cccc(-c2n[nH]cc2C=NNc2cc[nH+]cc2)c1 ZINC000779808036 628408863 /nfs/dbraw/zinc/40/88/63/628408863.db2.gz BDMDHUGVBUIDJS-UHFFFAOYSA-N 1 1 297.749 2.993 20 30 CFEDMO Cc1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCCO2 ZINC000779809600 628409080 /nfs/dbraw/zinc/40/90/80/628409080.db2.gz QEUPFYPHMSMRAX-UHFFFAOYSA-N 1 1 267.332 2.801 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1cnc2ccsc2c1 ZINC000779810717 628409409 /nfs/dbraw/zinc/40/94/09/628409409.db2.gz IMTRQOKGBQZVOP-UHFFFAOYSA-N 1 1 268.345 2.949 20 30 CFEDMO C#CCCCCCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000779965187 628421169 /nfs/dbraw/zinc/42/11/69/628421169.db2.gz ULEQVDPIYSQGSE-GJZGRUSLSA-N 1 1 264.413 2.511 20 30 CFEDMO CCCCC[C@@H](C)NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000780333656 628455724 /nfs/dbraw/zinc/45/57/24/628455724.db2.gz PYSYDYVUTNYTCM-CQSZACIVSA-N 1 1 279.428 2.697 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2cnc3ccccc3c2)nc1 ZINC000780556253 628476280 /nfs/dbraw/zinc/47/62/80/628476280.db2.gz VPISMBRFRRNRGA-UHFFFAOYSA-N 1 1 274.327 2.791 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000852103858 634658627 /nfs/dbraw/zinc/65/86/27/634658627.db2.gz TZQZNYPHICLVSS-AWEZNQCLSA-N 1 1 280.299 2.634 20 30 CFEDMO C#CCCCCCC(=O)N(C)CCCn1cc[nH+]c1C ZINC000780662430 628486535 /nfs/dbraw/zinc/48/65/35/628486535.db2.gz QLXANEMEDQEPBZ-UHFFFAOYSA-N 1 1 275.396 2.624 20 30 CFEDMO C#CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000781345706 628541376 /nfs/dbraw/zinc/54/13/76/628541376.db2.gz VXJJMLGHIKXGAA-CQSZACIVSA-N 1 1 285.309 2.825 20 30 CFEDMO C#CCCC[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000781345705 628541487 /nfs/dbraw/zinc/54/14/87/628541487.db2.gz VXJJMLGHIKXGAA-AWEZNQCLSA-N 1 1 285.309 2.825 20 30 CFEDMO CC#CCCOC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000782147089 628607908 /nfs/dbraw/zinc/60/79/08/628607908.db2.gz NBFGNSBFTGSAGU-INIZCTEOSA-N 1 1 271.360 2.608 20 30 CFEDMO CC#CCCOC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000782147089 628607912 /nfs/dbraw/zinc/60/79/12/628607912.db2.gz NBFGNSBFTGSAGU-INIZCTEOSA-N 1 1 271.360 2.608 20 30 CFEDMO C[C@@H](C1CC1)[N@H+]1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000782189929 628612390 /nfs/dbraw/zinc/61/23/90/628612390.db2.gz KGAQMSXCKNAACP-BLLLJJGKSA-N 1 1 256.349 2.730 20 30 CFEDMO C(=NNc1cc[nH+]cc1)c1cnc(-c2ccco2)s1 ZINC000782268418 628621931 /nfs/dbraw/zinc/62/19/31/628621931.db2.gz QLFIABUZMWSDOZ-UHFFFAOYSA-N 1 1 270.317 2.666 20 30 CFEDMO C#CCOCC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC000852147278 634670895 /nfs/dbraw/zinc/67/08/95/634670895.db2.gz AABCMUORBMVVHO-OAHLLOKOSA-N 1 1 265.303 2.752 20 30 CFEDMO C=C[C@](C)(CCOC)C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000782442449 628638562 /nfs/dbraw/zinc/63/85/62/628638562.db2.gz LVYZCGGKANWKHB-GDBMZVCRSA-N 1 1 283.412 2.633 20 30 CFEDMO CSc1ccccc1CC(C)=NN1CC[NH+](C)CC1 ZINC000782894416 628661963 /nfs/dbraw/zinc/66/19/63/628661963.db2.gz VGAWTAAELBZDHG-UHFFFAOYSA-N 1 1 277.437 2.574 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(C#N)c(F)c1 ZINC000783301686 628698968 /nfs/dbraw/zinc/69/89/68/628698968.db2.gz ZUYWPLUUQJYSTL-NSHDSACASA-N 1 1 280.306 2.815 20 30 CFEDMO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)c1 ZINC000783301310 628698987 /nfs/dbraw/zinc/69/89/87/628698987.db2.gz VPRZSLUGTUEWBQ-GFCCVEGCSA-N 1 1 252.321 2.508 20 30 CFEDMO Cn1cc(C=NNc2cc[nH+]cc2)c(C2CCCCC2)n1 ZINC000783867750 628751964 /nfs/dbraw/zinc/75/19/64/628751964.db2.gz UJQXRXOHAYGECZ-UHFFFAOYSA-N 1 1 283.379 2.731 20 30 CFEDMO CCCC[C@@H](ON=C(C)C)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000783919487 628755580 /nfs/dbraw/zinc/75/55/80/628755580.db2.gz YONOQEFQNRZYAZ-HUUCEWRRSA-N 1 1 297.443 2.558 20 30 CFEDMO Cc1ccc(OCC[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000784442308 628817156 /nfs/dbraw/zinc/81/71/56/628817156.db2.gz JIALVLQNPZLFNQ-INIZCTEOSA-N 1 1 258.365 3.000 20 30 CFEDMO Cc1ccc(OCC[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000784442308 628817158 /nfs/dbraw/zinc/81/71/58/628817158.db2.gz JIALVLQNPZLFNQ-INIZCTEOSA-N 1 1 258.365 3.000 20 30 CFEDMO Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000784449141 628817615 /nfs/dbraw/zinc/81/76/15/628817615.db2.gz CFAVEMUIHSYPIG-JKSUJKDBSA-N 1 1 258.365 2.654 20 30 CFEDMO Cc1ccc([C@@H](O)C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000784449141 628817616 /nfs/dbraw/zinc/81/76/16/628817616.db2.gz CFAVEMUIHSYPIG-JKSUJKDBSA-N 1 1 258.365 2.654 20 30 CFEDMO C=C(CC)C[N@@H+]1CCCC[C@H]1COC(=O)N(C)CC ZINC000805763226 628828576 /nfs/dbraw/zinc/82/85/76/628828576.db2.gz RNGNXEMJYVNJCC-AWEZNQCLSA-N 1 1 268.401 2.895 20 30 CFEDMO COC(CC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1)OC ZINC000852191004 634683654 /nfs/dbraw/zinc/68/36/54/634683654.db2.gz AGWTWFUFQDFONY-LBPRGKRZSA-N 1 1 262.353 2.560 20 30 CFEDMO C#C[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000852216326 634692716 /nfs/dbraw/zinc/69/27/16/634692716.db2.gz ZOJFTGIKPAMQBS-JKSUJKDBSA-N 1 1 290.451 2.616 20 30 CFEDMO C=C[C@@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC000785855849 628917155 /nfs/dbraw/zinc/91/71/55/628917155.db2.gz DIFPORJNDRMJML-CQSZACIVSA-N 1 1 261.369 2.539 20 30 CFEDMO C=C[C@H]1CCCCN1C(=O)CCCn1cc[nH+]c1C ZINC000785855848 628917265 /nfs/dbraw/zinc/91/72/65/628917265.db2.gz DIFPORJNDRMJML-AWEZNQCLSA-N 1 1 261.369 2.539 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc1 ZINC000785989615 628928564 /nfs/dbraw/zinc/92/85/64/628928564.db2.gz VUUJXMMQDIUMCU-RLFYNMQTSA-N 1 1 287.403 2.680 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1Cc1c(C)nn(C)c1Cl ZINC000785997433 628929341 /nfs/dbraw/zinc/92/93/41/628929341.db2.gz OHAOLGYRSSPGCD-NSHDSACASA-N 1 1 253.777 2.922 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1c(C)nn(C)c1Cl ZINC000785997433 628929342 /nfs/dbraw/zinc/92/93/42/628929342.db2.gz OHAOLGYRSSPGCD-NSHDSACASA-N 1 1 253.777 2.922 20 30 CFEDMO C=CCC[N@H+](C)CN1CC[C@@](C)(Cc2ccccc2)C1=O ZINC000786101721 628936890 /nfs/dbraw/zinc/93/68/90/628936890.db2.gz ODZFIUZPBFJKDW-SFHVURJKSA-N 1 1 286.419 2.933 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@](C)(c2ccccc2)CC1=O ZINC000786101464 628936999 /nfs/dbraw/zinc/93/69/99/628936999.db2.gz KXOQBIKBFUETHS-QGZVFWFLSA-N 1 1 272.392 2.642 20 30 CFEDMO C=CCC[N@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000786101454 628937192 /nfs/dbraw/zinc/93/71/92/628937192.db2.gz GDLBZAJMCFIXBJ-UHFFFAOYSA-N 1 1 274.324 2.718 20 30 CFEDMO C=CCC[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000786102235 628937297 /nfs/dbraw/zinc/93/72/97/628937297.db2.gz UHFOZKNFYOVANN-UHFFFAOYSA-N 1 1 286.335 2.924 20 30 CFEDMO C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000786447727 628957448 /nfs/dbraw/zinc/95/74/48/628957448.db2.gz XZNGETHSMIWWNT-ZDUSSCGKSA-N 1 1 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CN(C(=O)C#CC1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000837448379 631033058 /nfs/dbraw/zinc/03/30/58/631033058.db2.gz XTEKVNGQAUIAKY-GOSISDBHSA-N 1 1 296.414 2.523 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C(=O)C#CC1CC1 ZINC000837449689 631033219 /nfs/dbraw/zinc/03/32/19/631033219.db2.gz WYUFGGGBHLVAKW-INIZCTEOSA-N 1 1 296.414 2.523 20 30 CFEDMO C[C@H]1C[C@@H](NC(=O)C#CC(C)(C)C)C[N@H+]1Cc1ccccc1 ZINC000837464853 631038137 /nfs/dbraw/zinc/03/81/37/631038137.db2.gz LMKFXLFITFCFJI-DOTOQJQBSA-N 1 1 298.430 2.815 20 30 CFEDMO CN(C(=O)C#CC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000837472258 631040460 /nfs/dbraw/zinc/04/04/60/631040460.db2.gz KJVHXJWKRDURQA-QGZVFWFLSA-N 1 1 298.430 2.769 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000808791480 631049315 /nfs/dbraw/zinc/04/93/15/631049315.db2.gz ZQWFWBYRPRBZEE-CYBMUJFWSA-N 1 1 274.364 2.588 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)/N=C/c1c(O)cccc1OC ZINC000809144113 631088577 /nfs/dbraw/zinc/08/85/77/631088577.db2.gz DGTTVWHFBKLJOD-HNEYUBDGSA-N 1 1 278.396 2.940 20 30 CFEDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1ccc(C#N)o1 ZINC000837740132 631120205 /nfs/dbraw/zinc/12/02/05/631120205.db2.gz IPVCERIXTWTEPJ-LBPRGKRZSA-N 1 1 276.336 2.571 20 30 CFEDMO C[C@H]1c2ccccc2C(=O)/C1=C/c1c[nH+]c(N(C)C)n1C ZINC000840719246 631176319 /nfs/dbraw/zinc/17/63/19/631176319.db2.gz GQXORKKRAJICMQ-ZRRZQRFHSA-N 1 1 281.359 2.870 20 30 CFEDMO C#Cc1ccc(C[N@H+](C)C2CCN(CC)CC2)cc1 ZINC000809544096 631231368 /nfs/dbraw/zinc/23/13/68/631231368.db2.gz YCFUSHBEWNTJIN-UHFFFAOYSA-N 1 1 256.393 2.584 20 30 CFEDMO C#Cc1ccc(CN(C)C2CC[NH+](CC)CC2)cc1 ZINC000809544096 631231375 /nfs/dbraw/zinc/23/13/75/631231375.db2.gz YCFUSHBEWNTJIN-UHFFFAOYSA-N 1 1 256.393 2.584 20 30 CFEDMO N#CC[C@@H](O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000809572638 631237136 /nfs/dbraw/zinc/23/71/36/631237136.db2.gz PXEXJBMZDMVLIV-CYBMUJFWSA-N 1 1 298.308 2.944 20 30 CFEDMO C[N@H+](Cc1ccc2ccccc2c1)C[C@H](O)CC#N ZINC000809572976 631237291 /nfs/dbraw/zinc/23/72/91/631237291.db2.gz VHTJVNMNHJPSIS-MRXNPFEDSA-N 1 1 254.333 2.546 20 30 CFEDMO C=CCCC[N@H+](C)Cc1cnc(C2OCCO2)s1 ZINC000809580009 631240133 /nfs/dbraw/zinc/24/01/33/631240133.db2.gz JJBQZAMQBLNMNN-UHFFFAOYSA-N 1 1 268.382 2.587 20 30 CFEDMO C#Cc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000809634401 631252998 /nfs/dbraw/zinc/25/29/98/631252998.db2.gz BDSBMUZOACJHME-IRXDYDNUSA-N 1 1 257.377 2.651 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1Cc1cnc([C@@H](C)O)s1 ZINC000809656467 631256680 /nfs/dbraw/zinc/25/66/80/631256680.db2.gz WQQWRPMBKZJAND-GHMZBOCLSA-N 1 1 252.383 2.737 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc([C@@H](C)O)s1 ZINC000809656467 631256684 /nfs/dbraw/zinc/25/66/84/631256684.db2.gz WQQWRPMBKZJAND-GHMZBOCLSA-N 1 1 252.383 2.737 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCC(=O)NC)cc1 ZINC000809713750 631269114 /nfs/dbraw/zinc/26/91/14/631269114.db2.gz LCUROQYSAOTLJS-QGZVFWFLSA-N 1 1 284.403 2.549 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C ZINC000809781567 631287834 /nfs/dbraw/zinc/28/78/34/631287834.db2.gz WLOJUPAXNAXDMQ-GOSISDBHSA-N 1 1 299.462 2.576 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810033545 631317938 /nfs/dbraw/zinc/31/79/38/631317938.db2.gz FTSISASWZFERTO-OAHLLOKOSA-N 1 1 278.396 2.533 20 30 CFEDMO Cc1cc(C[NH2+]Cc2nc(C#N)cs2)c(C)s1 ZINC000810146762 631334503 /nfs/dbraw/zinc/33/45/03/631334503.db2.gz WMAVLRRZCROMQZ-UHFFFAOYSA-N 1 1 263.391 2.983 20 30 CFEDMO C[C@H]1CCC[N@@H+]1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000810220564 631346708 /nfs/dbraw/zinc/34/67/08/631346708.db2.gz ZWXIRKPDIQEEAW-SUMWQHHRSA-N 1 1 269.392 2.619 20 30 CFEDMO C[C@H]1CCC[N@H+]1CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000810220564 631346710 /nfs/dbraw/zinc/34/67/10/631346710.db2.gz ZWXIRKPDIQEEAW-SUMWQHHRSA-N 1 1 269.392 2.619 20 30 CFEDMO C#CCN(C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C1CCCC1 ZINC000810518677 631380155 /nfs/dbraw/zinc/38/01/55/631380155.db2.gz NQRAWJJYTBIIAD-KRWDZBQOSA-N 1 1 294.414 2.603 20 30 CFEDMO C=C(C)CCOC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810600308 631399554 /nfs/dbraw/zinc/39/95/54/631399554.db2.gz ZJBUGWIASIZQSG-AWEZNQCLSA-N 1 1 257.349 2.708 20 30 CFEDMO C[N@@H+](Cn1cccc(C#N)c1=O)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000841688756 631450874 /nfs/dbraw/zinc/45/08/74/631450874.db2.gz GRSJDBCONUYXNN-LSDHHAIUSA-N 1 1 287.407 2.824 20 30 CFEDMO C#CCCCCCC(=O)O[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000810836015 631451451 /nfs/dbraw/zinc/45/14/51/631451451.db2.gz BQXSXDPBYSPMBG-CABCVRRESA-N 1 1 263.381 2.740 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+](C)CCCCOC)c1O ZINC000841690324 631453071 /nfs/dbraw/zinc/45/30/71/631453071.db2.gz IVUFVOKOACITGS-UHFFFAOYSA-N 1 1 293.407 2.988 20 30 CFEDMO C=CCC(CC=C)C(=O)O[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000810838324 631453070 /nfs/dbraw/zinc/45/30/70/631453070.db2.gz OINRQRPLISCCOF-GJZGRUSLSA-N 1 1 263.381 2.925 20 30 CFEDMO CCn1nc(C)c(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)n1 ZINC000841894757 631490140 /nfs/dbraw/zinc/49/01/40/631490140.db2.gz TZCODPCVVYUUAJ-MRXNPFEDSA-N 1 1 295.390 2.645 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCCN(C/C=C\Cl)CC2)cc1 ZINC000842213630 631567278 /nfs/dbraw/zinc/56/72/78/631567278.db2.gz JTTKAZGOQPVODP-XFSBKJJWSA-N 1 1 289.810 2.818 20 30 CFEDMO C#Cc1ccc(CN[C@H](C)C[N@@H+](C)CCCC)cc1 ZINC000811511807 631574641 /nfs/dbraw/zinc/57/46/41/631574641.db2.gz VDHDDZDJZHYTPG-OAHLLOKOSA-N 1 1 258.409 2.878 20 30 CFEDMO C#Cc1ccc(CN[C@H](C)C[N@H+](C)CCCC)cc1 ZINC000811511807 631574647 /nfs/dbraw/zinc/57/46/47/631574647.db2.gz VDHDDZDJZHYTPG-OAHLLOKOSA-N 1 1 258.409 2.878 20 30 CFEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C)c(C#N)c1 ZINC000811601545 631586326 /nfs/dbraw/zinc/58/63/26/631586326.db2.gz VJEHCQJNBGXCCT-CQSZACIVSA-N 1 1 287.407 2.717 20 30 CFEDMO C[C@H](COc1ccccc1)NN=C1C[N@@H+](C2CC2)C[C@@H]1C ZINC000811664866 631600487 /nfs/dbraw/zinc/60/04/87/631600487.db2.gz IZLWNWHWRKWCER-UONOGXRCSA-N 1 1 287.407 2.514 20 30 CFEDMO C[C@H](COc1ccccc1)NN=C1C[N@H+](C2CC2)C[C@@H]1C ZINC000811664866 631600490 /nfs/dbraw/zinc/60/04/90/631600490.db2.gz 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/nfs/dbraw/zinc/87/48/75/632874875.db2.gz RIFSMDVQFZLKLI-JCYILVPMSA-N 1 1 292.467 2.910 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc2cc(C)c(C)cc2o1 ZINC000818595959 632876202 /nfs/dbraw/zinc/87/62/02/632876202.db2.gz WJKJJCOXJQWCKL-UHFFFAOYSA-N 1 1 298.386 2.735 20 30 CFEDMO C#C[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C(C)C ZINC000847015003 632880817 /nfs/dbraw/zinc/88/08/17/632880817.db2.gz PNDVLUFLIZVUQA-LSDHHAIUSA-N 1 1 292.810 2.717 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000847017763 632882015 /nfs/dbraw/zinc/88/20/15/632882015.db2.gz DKJUJCXZVFWODN-CZUORRHYSA-N 1 1 277.795 2.589 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000847017305 632882112 /nfs/dbraw/zinc/88/21/12/632882112.db2.gz BPJYAYATWTVDDE-NSHDSACASA-N 1 1 268.282 2.946 20 30 CFEDMO C#C[C@@H]1CCC[N@H+]([C@H]2CCN(Cc3ccccc3)C2)C1 ZINC000847018876 632884120 /nfs/dbraw/zinc/88/41/20/632884120.db2.gz NGWXSVSSLSAOQX-AEFFLSMTSA-N 1 1 268.404 2.606 20 30 CFEDMO C#C[C@@H]1CCCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000847018876 632884124 /nfs/dbraw/zinc/88/41/24/632884124.db2.gz NGWXSVSSLSAOQX-AEFFLSMTSA-N 1 1 268.404 2.606 20 30 CFEDMO C#C[C@@H]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000847018876 632884127 /nfs/dbraw/zinc/88/41/27/632884127.db2.gz NGWXSVSSLSAOQX-AEFFLSMTSA-N 1 1 268.404 2.606 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000847020544 632885756 /nfs/dbraw/zinc/88/57/56/632885756.db2.gz ZRHYTFOKLFOJGC-LBPRGKRZSA-N 1 1 285.322 2.721 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3F)no2)C1 ZINC000847020544 632885764 /nfs/dbraw/zinc/88/57/64/632885764.db2.gz ZRHYTFOKLFOJGC-LBPRGKRZSA-N 1 1 285.322 2.721 20 30 CFEDMO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000847022006 632887761 /nfs/dbraw/zinc/88/77/61/632887761.db2.gz DUPSRMVKWRWLEC-CVEARBPZSA-N 1 1 284.403 2.976 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000847022923 632888476 /nfs/dbraw/zinc/88/84/76/632888476.db2.gz KANYZNDHDSTMJG-HNNXBMFYSA-N 1 1 265.360 2.718 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000847023031 632889725 /nfs/dbraw/zinc/88/97/25/632889725.db2.gz AJQPIPURHNUAKD-CYBMUJFWSA-N 1 1 290.794 2.932 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000847023031 632889730 /nfs/dbraw/zinc/88/97/30/632889730.db2.gz AJQPIPURHNUAKD-CYBMUJFWSA-N 1 1 290.794 2.932 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000847025111 632890658 /nfs/dbraw/zinc/89/06/58/632890658.db2.gz MWHTZYRJLSLBHL-ZDUSSCGKSA-N 1 1 290.794 2.932 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000847025111 632890665 /nfs/dbraw/zinc/89/06/65/632890665.db2.gz MWHTZYRJLSLBHL-ZDUSSCGKSA-N 1 1 290.794 2.932 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000847024783 632890757 /nfs/dbraw/zinc/89/07/57/632890757.db2.gz SMHOAHUKLYPYJM-OAHLLOKOSA-N 1 1 265.360 2.718 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccccc3)n2)C1 ZINC000847024783 632890762 /nfs/dbraw/zinc/89/07/62/632890762.db2.gz SMHOAHUKLYPYJM-OAHLLOKOSA-N 1 1 265.360 2.718 20 30 CFEDMO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCCc3ccccc32)C1 ZINC000847025542 632890772 /nfs/dbraw/zinc/89/07/72/632890772.db2.gz CHLHILPRQMCIKO-CVEARBPZSA-N 1 1 296.414 2.700 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3C)no2)C1 ZINC000847026779 632891868 /nfs/dbraw/zinc/89/18/68/632891868.db2.gz HBJWOAYTVGMHDM-AWEZNQCLSA-N 1 1 281.359 2.890 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2nc(-c3ccccc3C)no2)C1 ZINC000847026779 632891877 /nfs/dbraw/zinc/89/18/77/632891877.db2.gz HBJWOAYTVGMHDM-AWEZNQCLSA-N 1 1 281.359 2.890 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000847026806 632892075 /nfs/dbraw/zinc/89/20/75/632892075.db2.gz HIDVFAJPHXDPRQ-CYBMUJFWSA-N 1 1 297.358 2.590 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000847026806 632892085 /nfs/dbraw/zinc/89/20/85/632892085.db2.gz HIDVFAJPHXDPRQ-CYBMUJFWSA-N 1 1 297.358 2.590 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000847026808 632892497 /nfs/dbraw/zinc/89/24/97/632892497.db2.gz HIDVFAJPHXDPRQ-ZDUSSCGKSA-N 1 1 297.358 2.590 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000847026808 632892503 /nfs/dbraw/zinc/89/25/03/632892503.db2.gz HIDVFAJPHXDPRQ-ZDUSSCGKSA-N 1 1 297.358 2.590 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(SC)cc2)C1 ZINC000847028529 632893632 /nfs/dbraw/zinc/89/36/32/632893632.db2.gz HKZIDKVLPONOBI-ZDUSSCGKSA-N 1 1 288.416 2.692 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(SC)cc2)C1 ZINC000847028529 632893638 /nfs/dbraw/zinc/89/36/38/632893638.db2.gz HKZIDKVLPONOBI-ZDUSSCGKSA-N 1 1 288.416 2.692 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000847030735 632893772 /nfs/dbraw/zinc/89/37/72/632893772.db2.gz RSAHIUOBKKBTAH-IAGOWNOFSA-N 1 1 298.430 2.826 20 30 CFEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(CC)C2CCCCC2)C1 ZINC000847030262 632894205 /nfs/dbraw/zinc/89/42/05/632894205.db2.gz PSLVZUJGJQMKKE-HZPDHXFCSA-N 1 1 290.451 2.901 20 30 CFEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000847029905 632894679 /nfs/dbraw/zinc/89/46/79/632894679.db2.gz OECFFJRLTQZODI-JKSUJKDBSA-N 1 1 284.403 2.976 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(SC)c2)C1 ZINC000847034984 632898302 /nfs/dbraw/zinc/89/83/02/632898302.db2.gz XXRAWZXLINJDHW-CYBMUJFWSA-N 1 1 288.416 2.692 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(SC)c2)C1 ZINC000847034984 632898310 /nfs/dbraw/zinc/89/83/10/632898310.db2.gz XXRAWZXLINJDHW-CYBMUJFWSA-N 1 1 288.416 2.692 20 30 CFEDMO Cc1cnc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)cn1 ZINC000847053837 632904582 /nfs/dbraw/zinc/90/45/82/632904582.db2.gz OZOJMPVADJXUIS-UHFFFAOYSA-N 1 1 278.359 2.826 20 30 CFEDMO CCOc1cncc(C[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000856771265 635854114 /nfs/dbraw/zinc/85/41/14/635854114.db2.gz BENZTXRULLGYEJ-UHFFFAOYSA-N 1 1 285.322 2.781 20 30 CFEDMO CCCCCCCC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000818971271 632918079 /nfs/dbraw/zinc/91/80/79/632918079.db2.gz MPUJHDNMBLODHM-CQSZACIVSA-N 1 1 254.418 2.900 20 30 CFEDMO CCN(C)c1ccccc1C[NH2+]C[C@@H](C#N)CCC#N ZINC000819032078 632934726 /nfs/dbraw/zinc/93/47/26/632934726.db2.gz DGVNAHJTHAKJMB-CQSZACIVSA-N 1 1 270.380 2.676 20 30 CFEDMO C=CCN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000847438067 632987724 /nfs/dbraw/zinc/98/77/24/632987724.db2.gz CRPMJTLBZQQJKF-KRWDZBQOSA-N 1 1 286.419 2.932 20 30 CFEDMO CC(C)(C#N)C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000819220130 633023899 /nfs/dbraw/zinc/02/38/99/633023899.db2.gz YHVUTMMURLSNNP-GFCCVEGCSA-N 1 1 270.735 2.652 20 30 CFEDMO N#CCC[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000819270069 633046143 /nfs/dbraw/zinc/04/61/43/633046143.db2.gz SJFVXXHWTNQRMU-UHFFFAOYSA-N 1 1 285.269 2.537 20 30 CFEDMO N#CC1(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000819280928 633052734 /nfs/dbraw/zinc/05/27/34/633052734.db2.gz POBSOVINTRSIEK-GFCCVEGCSA-N 1 1 284.281 2.632 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](Cc2cn(C)nc2Cl)C1 ZINC000857049620 635918309 /nfs/dbraw/zinc/91/83/09/635918309.db2.gz NGMUARBVDBKNNN-LLVKDONJSA-N 1 1 253.777 2.862 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)cc1 ZINC000857060648 635920911 /nfs/dbraw/zinc/92/09/11/635920911.db2.gz COBFYSOVHNTNFZ-WBVHZDCISA-N 1 1 287.403 2.539 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)cc1 ZINC000857060647 635921384 /nfs/dbraw/zinc/92/13/84/635921384.db2.gz COBFYSOVHNTNFZ-RDJZCZTQSA-N 1 1 287.403 2.539 20 30 CFEDMO Fc1cnc(N=NC2CCC[N@H+]3CCCC[C@@H]23)c(F)c1 ZINC000848412346 633252274 /nfs/dbraw/zinc/25/22/74/633252274.db2.gz OEDBIAXJGFOKHR-ZDUSSCGKSA-N 1 1 280.322 2.776 20 30 CFEDMO Fc1ccccc1CNN=C1CCC[N@H+]2CCCC[C@@H]12 ZINC000848411635 633252700 /nfs/dbraw/zinc/25/27/00/633252700.db2.gz ARCCUQZZUKOQFE-INIZCTEOSA-N 1 1 275.371 2.920 20 30 CFEDMO Fc1cccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000848412129 633252850 /nfs/dbraw/zinc/25/28/50/633252850.db2.gz XVFVJZZGCXUFFQ-LBPRGKRZSA-N 1 1 262.332 2.637 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](CN2C[C@H](CC(C)(C)C)OC2=O)C1 ZINC000848492909 633265705 /nfs/dbraw/zinc/26/57/05/633265705.db2.gz DFLOFAMPQRNRJR-KGLIPLIRSA-N 1 1 278.396 2.546 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CN2C[C@H](CC(C)(C)C)OC2=O)C1 ZINC000848492909 633265707 /nfs/dbraw/zinc/26/57/07/633265707.db2.gz DFLOFAMPQRNRJR-KGLIPLIRSA-N 1 1 278.396 2.546 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](CN2C[C@@H](CC(C)(C)C)CC2=O)C1 ZINC000848494479 633267263 /nfs/dbraw/zinc/26/72/63/633267263.db2.gz QMYHZAKUFNPBMD-HUUCEWRRSA-N 1 1 276.424 2.574 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CN2C[C@@H](CC(C)(C)C)CC2=O)C1 ZINC000848494479 633267267 /nfs/dbraw/zinc/26/72/67/633267267.db2.gz QMYHZAKUFNPBMD-HUUCEWRRSA-N 1 1 276.424 2.574 20 30 CFEDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccc(C#N)cc1Cl ZINC000848516708 633271030 /nfs/dbraw/zinc/27/10/30/633271030.db2.gz BDVHAOWUQAFPSW-KWQFWETISA-N 1 1 263.728 2.866 20 30 CFEDMO C#CCOc1ccccc1C[NH2+][C@@H]1CCCn2ccnc21 ZINC000848533729 633279714 /nfs/dbraw/zinc/27/97/14/633279714.db2.gz JYWZBBRYQCJQAY-OAHLLOKOSA-N 1 1 281.359 2.520 20 30 CFEDMO Cc1cc(-c2noc([C@H]([NH3+])CCCCC#N)n2)ccc1O ZINC000848626145 633302351 /nfs/dbraw/zinc/30/23/51/633302351.db2.gz CRSYPWIXJJUVPF-GFCCVEGCSA-N 1 1 286.335 2.834 20 30 CFEDMO N#CCCCC[C@@H]([NH3+])c1nc(CCC2CCOCC2)no1 ZINC000848629900 633302711 /nfs/dbraw/zinc/30/27/11/633302711.db2.gz GZRNHVVSLWEJAO-CYBMUJFWSA-N 1 1 292.383 2.513 20 30 CFEDMO C=CCCC[N@H+](C)Cc1ccc(/C=C/C(=O)OC)o1 ZINC000848887838 633362592 /nfs/dbraw/zinc/36/25/92/633362592.db2.gz GFQOEZJKAJWDBO-MDZDMXLPSA-N 1 1 263.337 2.864 20 30 CFEDMO C#CC[N@H+](Cc1ccc(/C=C/C(=O)OC)o1)C1CCCC1 ZINC000848890006 633364999 /nfs/dbraw/zinc/36/49/99/633364999.db2.gz PXYIWUQACHGNBJ-ZHACJKMWSA-N 1 1 287.359 2.844 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cc(OC)cc3c2O[C@@H](C)C3)C1 ZINC000848923179 633405011 /nfs/dbraw/zinc/40/50/11/633405011.db2.gz ALWQWVKVEPWRHW-KBPBESRZSA-N 1 1 285.387 2.864 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000848924096 633406120 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ZINC000117873256 637029554 /nfs/dbraw/zinc/02/95/54/637029554.db2.gz SCKXEEJBWSPCQI-UHFFFAOYSA-N 1 1 256.353 2.665 20 30 CFEDMO CC[C@@H]1CCCC[C@H]1C[N@@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000862243938 637297051 /nfs/dbraw/zinc/29/70/51/637297051.db2.gz TXQIQLCYTUSRKE-HLLBOEOZSA-N 1 1 275.440 2.875 20 30 CFEDMO CC[C@@H]1CCCC[C@H]1C[N@H+]1CCN(C2CC2)[C@H](C#N)C1 ZINC000862243938 637297055 /nfs/dbraw/zinc/29/70/55/637297055.db2.gz TXQIQLCYTUSRKE-HLLBOEOZSA-N 1 1 275.440 2.875 20 30 CFEDMO C#CC[N@@H+](Cc1ccc(F)c(F)c1N(C)C)C1CC1 ZINC000862325371 637321024 /nfs/dbraw/zinc/32/10/24/637321024.db2.gz AVPOGPJDHMPJNM-UHFFFAOYSA-N 1 1 264.319 2.628 20 30 CFEDMO C#CC[N@H+](Cc1ccc(F)c(F)c1N(C)C)C1CC1 ZINC000862325371 637321031 /nfs/dbraw/zinc/32/10/31/637321031.db2.gz AVPOGPJDHMPJNM-UHFFFAOYSA-N 1 1 264.319 2.628 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(OCC)c(OC)cc1F ZINC000862348978 637326171 /nfs/dbraw/zinc/32/61/71/637326171.db2.gz LUFDCQMCHYDTHV-LLVKDONJSA-N 1 1 265.328 2.687 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(OCC)c(OC)cc1F ZINC000862348978 637326176 /nfs/dbraw/zinc/32/61/76/637326176.db2.gz LUFDCQMCHYDTHV-LLVKDONJSA-N 1 1 265.328 2.687 20 30 CFEDMO CCCCCCCNC(=O)[C@H](C)[NH+]1CCSCC1 ZINC000862357848 637331406 /nfs/dbraw/zinc/33/14/06/637331406.db2.gz JQSUCKSQWXEOQA-ZDUSSCGKSA-N 1 1 272.458 2.510 20 30 CFEDMO C#CCOc1ccc(C[NH2+]Cc2oc(C)nc2C)cc1 ZINC000862387001 637349003 /nfs/dbraw/zinc/34/90/03/637349003.db2.gz DRVQUQGGTJJMTK-UHFFFAOYSA-N 1 1 270.332 2.593 20 30 CFEDMO C=CC(C)(C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000862394246 637354037 /nfs/dbraw/zinc/35/40/37/637354037.db2.gz FXDWTEXSVHLGNS-MRXNPFEDSA-N 1 1 284.419 2.917 20 30 CFEDMO Cc1c(F)nccc1C[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000862401492 637359969 /nfs/dbraw/zinc/35/99/69/637359969.db2.gz POSIYDRXRGRVJH-INIZCTEOSA-N 1 1 299.349 2.566 20 30 CFEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@]1(C)CCCS1 ZINC000862402110 637360002 /nfs/dbraw/zinc/36/00/02/637360002.db2.gz ZBVCYKMFESKLSA-CVEARBPZSA-N 1 1 290.432 2.809 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000862441500 637380930 /nfs/dbraw/zinc/38/09/30/637380930.db2.gz RXEKEXJLOCLFJJ-QGZVFWFLSA-N 1 1 299.462 2.836 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000862441500 637380934 /nfs/dbraw/zinc/38/09/34/637380934.db2.gz RXEKEXJLOCLFJJ-QGZVFWFLSA-N 1 1 299.462 2.836 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000862443651 637383116 /nfs/dbraw/zinc/38/31/16/637383116.db2.gz RQCZYVXUBZKLNR-OAHLLOKOSA-N 1 1 265.360 2.718 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000862443230 637383297 /nfs/dbraw/zinc/38/32/97/637383297.db2.gz MFRGPVHGIGRUMW-SNVBAGLBSA-N 1 1 250.323 2.502 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000862444649 637385277 /nfs/dbraw/zinc/38/52/77/637385277.db2.gz FAIXVGFMJPPNNP-OAHLLOKOSA-N 1 1 265.360 2.718 20 30 CFEDMO C#CCCOc1ccc(C[N@H+]2CC[C@H](CC#C)C2)cc1 ZINC000862444542 637385565 /nfs/dbraw/zinc/38/55/65/637385565.db2.gz BQOYNGQTQQAAKQ-INIZCTEOSA-N 1 1 267.372 2.934 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2ncc(CSC)s2)C1 ZINC000862446538 637387605 /nfs/dbraw/zinc/38/76/05/637387605.db2.gz ADQGKCVBNMWTPH-LLVKDONJSA-N 1 1 266.435 2.851 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ncc(CSC)s2)C1 ZINC000862446538 637387606 /nfs/dbraw/zinc/38/76/06/637387606.db2.gz ADQGKCVBNMWTPH-LLVKDONJSA-N 1 1 266.435 2.851 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000862447742 637387978 /nfs/dbraw/zinc/38/79/78/637387978.db2.gz PSPZPMFIIIVGCG-LBPRGKRZSA-N 1 1 255.321 2.515 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2c(C3CCC3)cnn2C)C1 ZINC000862447769 637388525 /nfs/dbraw/zinc/38/85/25/637388525.db2.gz QOAIEVFKUBAMSW-ZDUSSCGKSA-N 1 1 257.381 2.533 20 30 CFEDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000862539557 637414045 /nfs/dbraw/zinc/41/40/45/637414045.db2.gz OSJMLLUCGAOLFG-CQSZACIVSA-N 1 1 290.407 2.960 20 30 CFEDMO O=C(C#Cc1ccccc1)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000862629123 637454373 /nfs/dbraw/zinc/45/43/73/637454373.db2.gz MWTAYKUXMZIKNX-GOSISDBHSA-N 1 1 296.414 2.561 20 30 CFEDMO CCC(CCc1ccccc1)=NN1CC[NH+](C)CC1 ZINC000863064807 637547858 /nfs/dbraw/zinc/54/78/58/637547858.db2.gz RZDMOOROGQCSRS-UHFFFAOYSA-N 1 1 259.397 2.633 20 30 CFEDMO CN(C)c1cc(F)c(C=[NH+]NC[C@H]2CCSC2)cc1F ZINC000863111649 637559399 /nfs/dbraw/zinc/55/93/99/637559399.db2.gz FIFCOSBILGLLBU-SNVBAGLBSA-N 1 1 299.390 2.707 20 30 CFEDMO CC(C)[C@@H](C=[NH+]n1cccn1)CNC(=O)OC(C)(C)C ZINC000863163847 637576874 /nfs/dbraw/zinc/57/68/74/637576874.db2.gz QUDKYBDAMJXHGN-GFCCVEGCSA-N 1 1 280.372 2.514 20 30 CFEDMO C=CCC[N@@H+](C)CN1C[C@@H](c2ccccc2)OC1=O ZINC000863263960 637608737 /nfs/dbraw/zinc/60/87/37/637608737.db2.gz AHIUZTLJTDPKPK-AWEZNQCLSA-N 1 1 260.337 2.645 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@@H](c2ccccc2)OC1=O ZINC000863263960 637608739 /nfs/dbraw/zinc/60/87/39/637608739.db2.gz AHIUZTLJTDPKPK-AWEZNQCLSA-N 1 1 260.337 2.645 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)cc1 ZINC000119516247 637683955 /nfs/dbraw/zinc/68/39/55/637683955.db2.gz XWSLWEIXHDBWDX-UONOGXRCSA-N 1 1 288.391 2.977 20 30 CFEDMO C#CCCCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000119901600 637908262 /nfs/dbraw/zinc/90/82/62/637908262.db2.gz GNROULZIGMPVRR-HNNXBMFYSA-N 1 1 293.455 2.600 20 30 CFEDMO COc1cccc(/C=N\C[C@H]2CC[N@H+]2C2CCCC2)c1O ZINC000864345781 637946659 /nfs/dbraw/zinc/94/66/59/637946659.db2.gz FYCDTDKDWXXUAK-JQFNYASXSA-N 1 1 288.391 2.837 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CCC(C)C)c1 ZINC000076748932 650401266 /nfs/dbraw/zinc/40/12/66/650401266.db2.gz ZFXUHJFWBQTALV-UHFFFAOYSA-N 1 1 258.365 2.584 20 30 CFEDMO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)C[C@H](C)C#N ZINC000120490047 638270499 /nfs/dbraw/zinc/27/04/99/638270499.db2.gz WAVZACUHCFZILS-GFCCVEGCSA-N 1 1 263.360 2.873 20 30 CFEDMO CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)C[C@H](C)C#N ZINC000120490047 638270495 /nfs/dbraw/zinc/27/04/95/638270495.db2.gz WAVZACUHCFZILS-GFCCVEGCSA-N 1 1 263.360 2.873 20 30 CFEDMO CC(C)[N@H+]1CC[C@@H](Nc2cc(C(F)(F)F)cc(C#N)n2)C1 ZINC000865471978 638359067 /nfs/dbraw/zinc/35/90/67/638359067.db2.gz UBKYACFRFQLQAO-LLVKDONJSA-N 1 1 298.312 2.867 20 30 CFEDMO COc1cncc(C[NH2+]Cc2cc(C#N)ccc2F)c1C ZINC000865477638 638364688 /nfs/dbraw/zinc/36/46/88/638364688.db2.gz HHKWVCOMUOTWPB-UHFFFAOYSA-N 1 1 285.322 2.699 20 30 CFEDMO C=CCOc1ccc(CNc2cc3n(n2)CC[N@H+](C)C3)cc1 ZINC000865845982 638609016 /nfs/dbraw/zinc/60/90/16/638609016.db2.gz OUOCEJBZCPOGLJ-UHFFFAOYSA-N 1 1 298.390 2.505 20 30 CFEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC[C@@H](C)O1 ZINC000190455819 650434465 /nfs/dbraw/zinc/43/44/65/650434465.db2.gz IAUISQCNSASYRN-CJNGLKHVSA-N 1 1 261.340 2.828 20 30 CFEDMO CCC[N@H+]1CC[C@H](Nc2cc(C(F)(F)F)cc(C#N)n2)C1 ZINC000865949002 638672494 /nfs/dbraw/zinc/67/24/94/638672494.db2.gz JYNGLPQZRGFUTK-NSHDSACASA-N 1 1 298.312 2.868 20 30 CFEDMO C#Cc1cnc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)nc1 ZINC000866192178 638766733 /nfs/dbraw/zinc/76/67/33/638766733.db2.gz DVJZNEQDJVVXAY-INIZCTEOSA-N 1 1 284.407 2.667 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1cnccc1C#N ZINC000866195494 638767769 /nfs/dbraw/zinc/76/77/69/638767769.db2.gz WBBYJHMUSCJDES-MRXNPFEDSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1cnccc1C#N ZINC000866195494 638767771 /nfs/dbraw/zinc/76/77/71/638767771.db2.gz WBBYJHMUSCJDES-MRXNPFEDSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3c(Cl)cccc3C#N)CC[C@@H]21 ZINC000866207549 638770301 /nfs/dbraw/zinc/77/03/01/638770301.db2.gz XHSBTFXBRJLUMF-JSGCOSHPSA-N 1 1 275.783 2.742 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3ccc(C#N)c(Cl)c3)CC[C@@H]21 ZINC000866207484 638770544 /nfs/dbraw/zinc/77/05/44/638770544.db2.gz WXWALMYEASEKKA-WFASDCNBSA-N 1 1 275.783 2.742 20 30 CFEDMO CCn1nc(C)c(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1C ZINC000866257016 638781564 /nfs/dbraw/zinc/78/15/64/638781564.db2.gz QYVNJHAWUZWCAU-LLVKDONJSA-N 1 1 298.390 2.948 20 30 CFEDMO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1cccc(C#N)c1O ZINC000866312245 638795297 /nfs/dbraw/zinc/79/52/97/638795297.db2.gz ZRTLSFNPLQLERU-LBPRGKRZSA-N 1 1 296.374 2.576 20 30 CFEDMO N#C[C@@H]1CC[C@H]([NH2+][C@H]2c3ccccc3OC[C@H]2F)C1 ZINC000866341065 638799334 /nfs/dbraw/zinc/79/93/34/638799334.db2.gz KJMCYEUZSLILNZ-OICBVUGWSA-N 1 1 260.312 2.740 20 30 CFEDMO CC[C@@H]1[C@@H](C(=O)Nc2cccc(C#N)c2C)CC[N@H+]1C ZINC000866799265 638876343 /nfs/dbraw/zinc/87/63/43/638876343.db2.gz PLVNMSCVVIAWSB-DZGCQCFKSA-N 1 1 271.364 2.536 20 30 CFEDMO C#CCCOC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000867793965 638898181 /nfs/dbraw/zinc/89/81/81/638898181.db2.gz MVPAEFNDKXUQTD-OAHLLOKOSA-N 1 1 278.396 2.533 20 30 CFEDMO N#CCCCC[N@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000121867320 638900675 /nfs/dbraw/zinc/90/06/75/638900675.db2.gz UGBAREPTZTVMHO-KGLIPLIRSA-N 1 1 294.420 2.566 20 30 CFEDMO N#CCCCC[N@@H+]1CCOC[C@H]1C[C@H](O)c1cccs1 ZINC000121867320 638900678 /nfs/dbraw/zinc/90/06/78/638900678.db2.gz UGBAREPTZTVMHO-KGLIPLIRSA-N 1 1 294.420 2.566 20 30 CFEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1sccc1CC#N ZINC000868422564 638944306 /nfs/dbraw/zinc/94/43/06/638944306.db2.gz SVKSQCRWIQQVEA-GFCCVEGCSA-N 1 1 293.436 2.664 20 30 CFEDMO C=CCCNC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000868765023 638976699 /nfs/dbraw/zinc/97/66/99/638976699.db2.gz IAHPQLIPUWSZMZ-OAHLLOKOSA-N 1 1 279.428 2.659 20 30 CFEDMO C#CCCCC(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191226974 650485094 /nfs/dbraw/zinc/48/50/94/650485094.db2.gz HWKXPKPKZWZBDI-INIZCTEOSA-N 1 1 271.360 2.608 20 30 CFEDMO CC(C)C#CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000870121942 639521527 /nfs/dbraw/zinc/52/15/27/639521527.db2.gz SQKDVQUBSBGMNP-INIZCTEOSA-N 1 1 284.403 2.551 20 30 CFEDMO Cc1ccc(CON=C(N)C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000078639520 650520613 /nfs/dbraw/zinc/52/06/13/650520613.db2.gz KGJCPPYGDXGGJN-CQSZACIVSA-N 1 1 275.396 2.658 20 30 CFEDMO CCCCCC[N@@H+](C)CC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000870672154 639762942 /nfs/dbraw/zinc/76/29/42/639762942.db2.gz JVZUEHLFDDYPTQ-GJZGRUSLSA-N 1 1 279.428 2.649 20 30 CFEDMO C#CCCCC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000191960656 650531626 /nfs/dbraw/zinc/53/16/26/650531626.db2.gz IAWCJPBGLNYOEG-GASCZTMLSA-N 1 1 278.440 2.663 20 30 CFEDMO C#CCCCC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000192171342 650545003 /nfs/dbraw/zinc/54/50/03/650545003.db2.gz QJHVBYMNBMQGGV-CABCVRRESA-N 1 1 276.424 2.559 20 30 CFEDMO C[C@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1coc(C#N)c1 ZINC000870783113 641063244 /nfs/dbraw/zinc/06/32/44/641063244.db2.gz HWZKGGMHQRDZLX-DGCLKSJQSA-N 1 1 276.336 2.571 20 30 CFEDMO Cc1oc(C#N)cc1C(=O)O[C@@H](C)C[C@@H]1CCCC[N@H+]1C ZINC000870784926 641066723 /nfs/dbraw/zinc/06/67/23/641066723.db2.gz LIGJQUKCSXPIKH-AAEUAGOBSA-N 1 1 290.363 2.879 20 30 CFEDMO CCCc1[nH+]ccn1CC(=O)[C@@H](C#N)c1ccccc1 ZINC000871659990 641387560 /nfs/dbraw/zinc/38/75/60/641387560.db2.gz BFCODHVVWJBYFK-AWEZNQCLSA-N 1 1 267.332 2.712 20 30 CFEDMO CC(=O)[C@@](C#N)(CCn1cc[nH+]c1C)c1ccccc1 ZINC000871664375 641388561 /nfs/dbraw/zinc/38/85/61/641388561.db2.gz VJGMUNVFHIPMIG-INIZCTEOSA-N 1 1 267.332 2.632 20 30 CFEDMO N#Cc1ccc(OCCCO[NH+]=C(N)C2CCC2)cc1 ZINC000871764702 641446735 /nfs/dbraw/zinc/44/67/35/641446735.db2.gz MSBLHEIHCYJDND-UHFFFAOYSA-N 1 1 273.336 2.626 20 30 CFEDMO C=CCOCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872059499 641591900 /nfs/dbraw/zinc/59/19/00/641591900.db2.gz GGOGSCSXLFDBFH-SNVBAGLBSA-N 1 1 268.288 2.587 20 30 CFEDMO C=CCOCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872059498 641592298 /nfs/dbraw/zinc/59/22/98/641592298.db2.gz GGOGSCSXLFDBFH-JTQLQIEISA-N 1 1 268.288 2.587 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cncc(C)c2)no1 ZINC000872172756 641691624 /nfs/dbraw/zinc/69/16/24/641691624.db2.gz GYFGNDFXLALTDY-JTQLQIEISA-N 1 1 264.716 2.582 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ncccc2CC)no1 ZINC000872174049 641693542 /nfs/dbraw/zinc/69/35/42/641693542.db2.gz BZOXQEKITLAQRV-JTQLQIEISA-N 1 1 278.743 2.836 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cccc(SC)n2)no1 ZINC000872184847 641698179 /nfs/dbraw/zinc/69/81/79/641698179.db2.gz YYDSOOPRBCXSJN-MRVPVSSYSA-N 1 1 296.783 2.996 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ncc(C)s2)no1 ZINC000872184159 641698207 /nfs/dbraw/zinc/69/82/07/641698207.db2.gz RXQXQWDZTMJSTA-ZETCQYMHSA-N 1 1 270.745 2.644 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872279001 641735733 /nfs/dbraw/zinc/73/57/33/641735733.db2.gz AVPJGIAIOCBTCO-GOEBONIOSA-N 1 1 267.413 2.737 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872319350 641755634 /nfs/dbraw/zinc/75/56/34/641755634.db2.gz IXMXXRZVDXYKLW-UHFFFAOYSA-N 1 1 292.386 2.714 20 30 CFEDMO C[C@@H]1C(N=Nc2ncc(Cl)cc2Cl)CC[N@H+]1C ZINC000872332591 641758449 /nfs/dbraw/zinc/75/84/49/641758449.db2.gz PTLNBFOWNKMTPB-SSDOTTSWSA-N 1 1 273.167 2.880 20 30 CFEDMO N#Cc1ccc(N=NC2CCC[N@@H+]3CCSC[C@H]23)cc1 ZINC000872342024 641759545 /nfs/dbraw/zinc/75/95/45/641759545.db2.gz MHPTWIQYSLCCGW-OAHLLOKOSA-N 1 1 286.404 2.537 20 30 CFEDMO N#Cc1ccc(N=NC2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000872342024 641759550 /nfs/dbraw/zinc/75/95/50/641759550.db2.gz MHPTWIQYSLCCGW-OAHLLOKOSA-N 1 1 286.404 2.537 20 30 CFEDMO CC[N@H+]1CCC(=NNC[C@H]2CCCC2(F)F)[C@H](C)C1 ZINC000872408146 641797458 /nfs/dbraw/zinc/79/74/58/641797458.db2.gz NKTLIFBQKCVTRZ-VXGBXAGGSA-N 1 1 273.371 2.729 20 30 CFEDMO C[C@@H]1CC(=NNCc2ccc3ccccc3n2)CC[N@H+]1C ZINC000872408734 641798414 /nfs/dbraw/zinc/79/84/14/641798414.db2.gz IBKSUILBUQBZOA-CYBMUJFWSA-N 1 1 282.391 2.795 20 30 CFEDMO C[N@H+]1CCCC(=NNCc2ccc3ccccc3n2)CC1 ZINC000872410536 641798921 /nfs/dbraw/zinc/79/89/21/641798921.db2.gz ZEDNDVGAEJMEKO-UHFFFAOYSA-N 1 1 282.391 2.796 20 30 CFEDMO C=CC[N@H+](CN1C[C@@](C)(c2ccccc2F)C1=O)C(C)C ZINC000872565352 641857236 /nfs/dbraw/zinc/85/72/36/641857236.db2.gz BAQSIFKHFVUSKY-KRWDZBQOSA-N 1 1 290.382 2.780 20 30 CFEDMO C=CC[N@@H+](CN1C[C@@](C)(c2ccccc2F)C1=O)C(C)C ZINC000872565352 641857240 /nfs/dbraw/zinc/85/72/40/641857240.db2.gz BAQSIFKHFVUSKY-KRWDZBQOSA-N 1 1 290.382 2.780 20 30 CFEDMO COc1cc(C[N@@H+](C)[C@H]2CCC[C@H]2C#N)c(O)cc1C ZINC000872685429 641896132 /nfs/dbraw/zinc/89/61/32/641896132.db2.gz ZEGSEEIJGICQHF-JSGCOSHPSA-N 1 1 274.364 2.833 20 30 CFEDMO C[N@H+]1CCC[C@@H]2[C@H]1CCN2c1cc(C#N)nc2ccccc21 ZINC000872778458 641932237 /nfs/dbraw/zinc/93/22/37/641932237.db2.gz AMDCXYMJAIERLQ-IAGOWNOFSA-N 1 1 292.386 2.779 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)NCCCn1cc[nH+]c1C ZINC000872837384 641948654 /nfs/dbraw/zinc/94/86/54/641948654.db2.gz GFVCIBOVOMFOTF-UHFFFAOYSA-N 1 1 292.427 2.873 20 30 CFEDMO CCCCCCCCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000194708251 650725363 /nfs/dbraw/zinc/72/53/63/650725363.db2.gz JVIKVHHZSWCETQ-CQSZACIVSA-N 1 1 254.418 2.947 20 30 CFEDMO C#CCOc1cccc(NC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000874445696 642387103 /nfs/dbraw/zinc/38/71/03/642387103.db2.gz HFKKVIYOGJIBQZ-UHFFFAOYSA-N 1 1 297.358 2.657 20 30 CFEDMO Cc1cc(F)c(C#N)cc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000874900569 642545861 /nfs/dbraw/zinc/54/58/61/642545861.db2.gz MVKMKLQRRBRBGM-TXEJJXNPSA-N 1 1 289.354 2.817 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C#N)c(F)cc1C 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CC[N@H+](Cc1cc(C#N)ccc1N(C)C)C[C@@H]1CCCO1 ZINC000876633062 642951612 /nfs/dbraw/zinc/95/16/12/642951612.db2.gz LYDJQZZCAUJLPB-INIZCTEOSA-N 1 1 287.407 2.625 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cn(CCC)nn1 ZINC000876639329 642954147 /nfs/dbraw/zinc/95/41/47/642954147.db2.gz OBKGOZMFLJULMH-UHFFFAOYSA-N 1 1 284.407 2.919 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)Cc1cn(CCC)nn1 ZINC000876639329 642954152 /nfs/dbraw/zinc/95/41/52/642954152.db2.gz OBKGOZMFLJULMH-UHFFFAOYSA-N 1 1 284.407 2.919 20 30 CFEDMO CN(C)c1ccc(F)cc1C[NH+]1CCC(C#N)CC1 ZINC000876652905 642959174 /nfs/dbraw/zinc/95/91/74/642959174.db2.gz IFLVSBHYCDYEBE-UHFFFAOYSA-N 1 1 261.344 2.627 20 30 CFEDMO CCOC[C@@H]1CCC[N@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876738274 642988048 /nfs/dbraw/zinc/98/80/48/642988048.db2.gz AEUVSJFLUSPBBY-GFCCVEGCSA-N 1 1 293.798 2.855 20 30 CFEDMO CCOC[C@@H]1CCC[N@@H+](Cc2cc(C#N)cnc2Cl)C1 ZINC000876738274 642988052 /nfs/dbraw/zinc/98/80/52/642988052.db2.gz AEUVSJFLUSPBBY-GFCCVEGCSA-N 1 1 293.798 2.855 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000876754772 642995608 /nfs/dbraw/zinc/99/56/08/642995608.db2.gz PRVPFQIUDZVBQX-CYBMUJFWSA-N 1 1 283.416 2.773 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)CCCNC(=O)OC(C)(C)C ZINC000876754773 642996083 /nfs/dbraw/zinc/99/60/83/642996083.db2.gz PRVPFQIUDZVBQX-ZDUSSCGKSA-N 1 1 283.416 2.773 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H]2CCCOC2)cc1 ZINC000245720738 650831358 /nfs/dbraw/zinc/83/13/58/650831358.db2.gz HXQKAGVPFSVGIH-GOEBONIOSA-N 1 1 288.391 2.836 20 30 CFEDMO COc1cnc(F)c(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c1 ZINC000877483235 643298990 /nfs/dbraw/zinc/29/89/90/643298990.db2.gz QIRZHPAMVWAGQA-INIZCTEOSA-N 1 1 297.333 2.878 20 30 CFEDMO C#CCn1ccc(C[N@H+](CC)CC2(C)CCCC2)n1 ZINC000877484896 643300001 /nfs/dbraw/zinc/30/00/01/643300001.db2.gz RZUDAPLCSNVHMS-UHFFFAOYSA-N 1 1 259.397 2.919 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000877503756 643314337 /nfs/dbraw/zinc/31/43/37/643314337.db2.gz WAPLONUPGVECLZ-AEFFLSMTSA-N 1 1 286.419 2.952 20 30 CFEDMO C[C@@H](CO)[N@H+](Cc1cc(C#N)cnc1Cl)CC1CCC1 ZINC000877505295 643315496 /nfs/dbraw/zinc/31/54/96/643315496.db2.gz BZMVGCWQYKBGQU-NSHDSACASA-N 1 1 293.798 2.590 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000877507518 643317503 /nfs/dbraw/zinc/31/75/03/643317503.db2.gz OWOCYDIEJKHCNO-MSOLQXFVSA-N 1 1 299.418 2.768 20 30 CFEDMO C#C[C@@H](C)[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000877513806 643319508 /nfs/dbraw/zinc/31/95/08/643319508.db2.gz CSYXXQXYMFTHOI-MRVPVSSYSA-N 1 1 279.137 2.702 20 30 CFEDMO C#C[C@H](C)N[C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877513512 643320156 /nfs/dbraw/zinc/32/01/56/643320156.db2.gz AKJLAVQBRNTZFR-ZVZYQTTQSA-N 1 1 268.404 2.966 20 30 CFEDMO C#C[C@H](C)N[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000877513512 643320159 /nfs/dbraw/zinc/32/01/59/643320159.db2.gz AKJLAVQBRNTZFR-ZVZYQTTQSA-N 1 1 268.404 2.966 20 30 CFEDMO CC(C)NC(=O)OC[C@@H]1CCCC[N@H+]1C[C@H](C)CCC#N ZINC000877523206 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C#CCCCCCC[NH2+]C(C)(C)CN1CCN(CC)CC1 ZINC000877574743 643372917 /nfs/dbraw/zinc/37/29/17/643372917.db2.gz UDUAYYUBMKMNTL-UHFFFAOYSA-N 1 1 293.499 2.576 20 30 CFEDMO C#CCCCCCC[NH2+]C(C)(C)c1nocc1C(=O)OC ZINC000877599525 643390728 /nfs/dbraw/zinc/39/07/28/643390728.db2.gz BQQVPDZQTBJDOF-UHFFFAOYSA-N 1 1 292.379 2.870 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cc1 ZINC000245792637 650836373 /nfs/dbraw/zinc/83/63/73/650836373.db2.gz WJKHXXZDLNECRQ-MCIONIFRSA-N 1 1 274.364 2.587 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cc1 ZINC000245792637 650836374 /nfs/dbraw/zinc/83/63/74/650836374.db2.gz WJKHXXZDLNECRQ-MCIONIFRSA-N 1 1 274.364 2.587 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC2(C)CCN(C(=O)OCC)CC2)C1 ZINC000877616934 643403636 /nfs/dbraw/zinc/40/36/36/643403636.db2.gz IWRGXRUKAPIGHQ-OAHLLOKOSA-N 1 1 292.423 2.590 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000877623227 643409143 /nfs/dbraw/zinc/40/91/43/643409143.db2.gz 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CFEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879566185 644327443 /nfs/dbraw/zinc/32/74/43/644327443.db2.gz STKOOQRSDRLEPP-HZPDHXFCSA-N 1 1 257.402 2.723 20 30 CFEDMO N#CCC1(C[NH+]2CCN(c3ccc(F)cc3C#N)CC2)CC1 ZINC000879591468 644342353 /nfs/dbraw/zinc/34/23/53/644342353.db2.gz XPCYMMMCBHPQIV-UHFFFAOYSA-N 1 1 298.365 2.513 20 30 CFEDMO C[C@H](CCC#N)[NH+]1CCN(c2ccc(F)cc2F)CC1 ZINC000879597734 644343796 /nfs/dbraw/zinc/34/37/96/644343796.db2.gz RTOPUXJULIISFI-GFCCVEGCSA-N 1 1 279.334 2.779 20 30 CFEDMO CC[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](C)C#N ZINC000091983075 650913751 /nfs/dbraw/zinc/91/37/51/650913751.db2.gz DHXAZBLMRJSOMV-HNNXBMFYSA-N 1 1 287.407 2.505 20 30 CFEDMO CC[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](C)C#N ZINC000091983075 650913754 /nfs/dbraw/zinc/91/37/54/650913754.db2.gz DHXAZBLMRJSOMV-HNNXBMFYSA-N 1 1 287.407 2.505 20 30 CFEDMO C#CCOc1ccc(C[N@H+](CCOC)Cc2ccco2)cc1 ZINC000092562282 650922256 /nfs/dbraw/zinc/92/22/56/650922256.db2.gz VEIAOWKKIKUIQZ-UHFFFAOYSA-N 1 1 299.370 2.940 20 30 CFEDMO C#CCOc1ccc(C[N@@H+](CCOC)Cc2ccco2)cc1 ZINC000092562282 650922259 /nfs/dbraw/zinc/92/22/59/650922259.db2.gz VEIAOWKKIKUIQZ-UHFFFAOYSA-N 1 1 299.370 2.940 20 30 CFEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC1CCCC1 ZINC001017316381 650924826 /nfs/dbraw/zinc/92/48/26/650924826.db2.gz IHYBUCWKKFFLIB-CALCHBBNSA-N 1 1 288.435 2.655 20 30 CFEDMO COC(=O)CC[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000880038857 644511253 /nfs/dbraw/zinc/51/12/53/644511253.db2.gz BEVUCZLLDXMXLK-AWEZNQCLSA-N 1 1 280.412 2.982 20 30 CFEDMO C[N@@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H]1CC[C@H](C#N)C1 ZINC000880079738 644525280 /nfs/dbraw/zinc/52/52/80/644525280.db2.gz JLCHQNZGXSANEG-CWRNSKLLSA-N 1 1 299.374 2.636 20 30 CFEDMO CCC1(CC)CCC[N@H+]1C[C@@H](O)CC1(C#N)CCOCC1 ZINC000880093592 644529789 /nfs/dbraw/zinc/52/97/89/644529789.db2.gz CEDGOYOCLJRLKV-HNNXBMFYSA-N 1 1 294.439 2.712 20 30 CFEDMO CCC1(CC)CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000880096305 644531659 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C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+]1CCC[C@@H](CF)C1 ZINC000880236410 644598560 /nfs/dbraw/zinc/59/85/60/644598560.db2.gz YQYZYFFFKSQSCK-STQMWFEESA-N 1 1 289.354 2.567 20 30 CFEDMO Cc1ccc([C@@H]2CC[N@@H+](CC(=O)NCCC#N)C2(C)C)cc1 ZINC000880290269 644629005 /nfs/dbraw/zinc/62/90/05/644629005.db2.gz XDNOVZUVNHTXPR-INIZCTEOSA-N 1 1 299.418 2.593 20 30 CFEDMO CC(C)(C#N)CCCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880473170 644726493 /nfs/dbraw/zinc/72/64/93/644726493.db2.gz RPIWLRJHZQOSSX-UHFFFAOYSA-N 1 1 263.429 2.877 20 30 CFEDMO CC(C)(C#N)CCC[NH+]1CCC(C)(N2CCC2)CC1 ZINC000880473170 644726498 /nfs/dbraw/zinc/72/64/98/644726498.db2.gz RPIWLRJHZQOSSX-UHFFFAOYSA-N 1 1 263.429 2.877 20 30 CFEDMO C#CCC1(O)CC[NH+]([C@H](C)c2ccc(F)cc2F)CC1 ZINC000880479162 644730251 /nfs/dbraw/zinc/73/02/51/644730251.db2.gz LGUQIOHYGXRHAD-GFCCVEGCSA-N 1 1 279.330 2.876 20 30 CFEDMO C#CCC1(O)CC[NH+](Cc2ccn(C(CC)CC)n2)CC1 ZINC000880480778 644730797 /nfs/dbraw/zinc/73/07/97/644730797.db2.gz GDKFNLPLRWSKPJ-UHFFFAOYSA-N 1 1 289.423 2.594 20 30 CFEDMO COc1ccc(C[N@@H+](CCO)CCCC(C)(C)C#N)cc1 ZINC000880571124 644770959 /nfs/dbraw/zinc/77/09/59/644770959.db2.gz LXBCEJIBPHCFAL-UHFFFAOYSA-N 1 1 290.407 2.819 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCc2ncncc2C1 ZINC000880593994 644781440 /nfs/dbraw/zinc/78/14/40/644781440.db2.gz AVJCEBSETXYEJJ-UHFFFAOYSA-N 1 1 292.386 2.836 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCc2ncncc2C1 ZINC000880593994 644781446 /nfs/dbraw/zinc/78/14/46/644781446.db2.gz AVJCEBSETXYEJJ-UHFFFAOYSA-N 1 1 292.386 2.836 20 30 CFEDMO CC(C)C(N)=[NH+]O[C@@H](C)c1nnc(-c2ccccc2)o1 ZINC000128587002 644817251 /nfs/dbraw/zinc/81/72/51/644817251.db2.gz KYXMZLVFMXYQFG-JTQLQIEISA-N 1 1 274.324 2.742 20 30 CFEDMO Cc1ccc(NCC[N@@H+]2CCc3sccc3C2)c(C#N)n1 ZINC000881836714 645138222 /nfs/dbraw/zinc/13/82/22/645138222.db2.gz BQJZFUSPVTXAPQ-UHFFFAOYSA-N 1 1 298.415 2.793 20 30 CFEDMO Cc1ccc(NCC[N@H+]2CCc3sccc3C2)c(C#N)n1 ZINC000881836714 645138224 /nfs/dbraw/zinc/13/82/24/645138224.db2.gz BQJZFUSPVTXAPQ-UHFFFAOYSA-N 1 1 298.415 2.793 20 30 CFEDMO C#CC[N@@H+](Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000303226489 650990510 /nfs/dbraw/zinc/99/05/10/650990510.db2.gz WKVUNIGWHDYNTK-UHFFFAOYSA-N 1 1 255.361 2.999 20 30 CFEDMO Cc1nc(C#N)cc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000882171882 645229045 /nfs/dbraw/zinc/22/90/45/645229045.db2.gz NEBLOYIXQKNKCB-TZMCWYRMSA-N 1 1 299.422 2.722 20 30 CFEDMO Cc1ccc(N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c(C#N)n1 ZINC000882395145 645298645 /nfs/dbraw/zinc/29/86/45/645298645.db2.gz QJFVBMHWQKYTLB-CYBMUJFWSA-N 1 1 284.407 2.572 20 30 CFEDMO CCCCNC(=[NH2+])NC[C@@H](c1ccccc1)N1CCCC1 ZINC000303775039 651001684 /nfs/dbraw/zinc/00/16/84/651001684.db2.gz GNFIEUGBHRLTKC-INIZCTEOSA-N 1 1 288.439 2.528 20 30 CFEDMO CCC(CC)[C@@H](CNC(=[NH2+])NC1CCCCC1)N(C)C ZINC000303784000 651002115 /nfs/dbraw/zinc/00/21/15/651002115.db2.gz OUSIXUASFBZSGD-OAHLLOKOSA-N 1 1 282.476 2.590 20 30 CFEDMO C=CCC[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC)c1ccccc1 ZINC000882492411 645343250 /nfs/dbraw/zinc/34/32/50/645343250.db2.gz RNLBHQKUUTZCGS-IAGOWNOFSA-N 1 1 286.419 2.947 20 30 CFEDMO C=CCC[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC)c1ccccc1 ZINC000882492410 645343604 /nfs/dbraw/zinc/34/36/04/645343604.db2.gz RNLBHQKUUTZCGS-DLBZAZTESA-N 1 1 286.419 2.947 20 30 CFEDMO C=CC[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC)c1ccccc1 ZINC000882493018 645343660 /nfs/dbraw/zinc/34/36/60/645343660.db2.gz WUFGJARTVHDFKT-HOTGVXAUSA-N 1 1 272.392 2.557 20 30 CFEDMO Cc1ccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c(C#N)n1 ZINC000882546710 645364612 /nfs/dbraw/zinc/36/46/12/645364612.db2.gz DMNPHUMDIWPGMO-GDBMZVCRSA-N 1 1 270.380 2.691 20 30 CFEDMO CCc1ccc(NC(=[NH2+])NCCN2CCCC[C@@H]2C)cc1 ZINC000303909654 651008972 /nfs/dbraw/zinc/00/89/72/651008972.db2.gz YJRUZFWSHJYYEJ-AWEZNQCLSA-N 1 1 288.439 2.850 20 30 CFEDMO CCc1cccc(NC(=[NH2+])NCCN(CC)C(C)C)c1 ZINC000303978941 651010142 /nfs/dbraw/zinc/01/01/42/651010142.db2.gz MQINZZUEVSUOJT-UHFFFAOYSA-N 1 1 276.428 2.706 20 30 CFEDMO CCc1ccc(NC(=[NH2+])NCCN(C)[C@@H](C)CC)cc1 ZINC000303988932 651011005 /nfs/dbraw/zinc/01/10/05/651011005.db2.gz WZIQTOHGFJYJDA-ZDUSSCGKSA-N 1 1 276.428 2.706 20 30 CFEDMO CCC(CC)(CNC(NC)=[NH+]C)N[C@@H](C)c1ccccc1 ZINC000304053392 651014003 /nfs/dbraw/zinc/01/40/03/651014003.db2.gz LKOFJBJBKSVTEV-AWEZNQCLSA-N 1 1 290.455 2.691 20 30 CFEDMO CC(C)c1c[nH]c(C[NH2+]Cc2ccc(C#N)cc2)n1 ZINC000882896136 645499271 /nfs/dbraw/zinc/49/92/71/645499271.db2.gz BNUAPTOVCGKBHO-UHFFFAOYSA-N 1 1 254.337 2.695 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCOCC2(C)C)cc1 ZINC000130875944 645585521 /nfs/dbraw/zinc/58/55/21/645585521.db2.gz HTRWJDOMJFBJCZ-ZDUSSCGKSA-N 1 1 274.364 2.588 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCOCC2(C)C)cc1 ZINC000130875944 645585527 /nfs/dbraw/zinc/58/55/27/645585527.db2.gz HTRWJDOMJFBJCZ-ZDUSSCGKSA-N 1 1 274.364 2.588 20 30 CFEDMO N#C[C@@H]1CCC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252826156 651026875 /nfs/dbraw/zinc/02/68/75/651026875.db2.gz GLUKKIDUWKOYMR-UONOGXRCSA-N 1 1 256.349 2.788 20 30 CFEDMO N#C[C@@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000252826156 651026877 /nfs/dbraw/zinc/02/68/77/651026877.db2.gz GLUKKIDUWKOYMR-UONOGXRCSA-N 1 1 256.349 2.788 20 30 CFEDMO C#Cc1ccc(C[NH2+]Cc2nc(C(C)C)c[nH]2)cc1 ZINC000883132540 645618940 /nfs/dbraw/zinc/61/89/40/645618940.db2.gz VBUVVUVQNMLGLU-UHFFFAOYSA-N 1 1 253.349 2.804 20 30 CFEDMO C=CCC[C@@H]([NH2+]Cc1ccc2cncn2c1)[C@H]1CCCO1 ZINC000883229047 645679095 /nfs/dbraw/zinc/67/90/95/645679095.db2.gz ZMKNCSRSNZIXKL-IAGOWNOFSA-N 1 1 285.391 2.938 20 30 CFEDMO N#Cc1ccc([C@@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000305065852 651043999 /nfs/dbraw/zinc/04/39/99/651043999.db2.gz IRJJAPARCFFQTM-BBWFWOEESA-N 1 1 270.376 2.714 20 30 CFEDMO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000883391387 645790166 /nfs/dbraw/zinc/79/01/66/645790166.db2.gz IXHVXIKNOUUNMB-CMPLNLGQSA-N 1 1 253.317 2.509 20 30 CFEDMO C=CCn1ncc2ccc(NC(=O)C[N@H+](C)C(C)C)cc21 ZINC000885577198 646710834 /nfs/dbraw/zinc/71/08/34/646710834.db2.gz 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2.907 20 30 CFEDMO CCN(CCC#N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167995593 777530560 /nfs/dbraw/zinc/53/05/60/777530560.db2.gz KIFRRYWFDOPJSD-XYPWUTKMSA-N 1 1 261.413 2.627 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cc(OC)ccc2OCC)C1 ZINC001232385097 777541220 /nfs/dbraw/zinc/54/12/20/777541220.db2.gz GRJKJYMNLKIQMG-AWEZNQCLSA-N 1 1 273.376 2.939 20 30 CFEDMO C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1ccccc1 ZINC001029242969 777548929 /nfs/dbraw/zinc/54/89/29/777548929.db2.gz PSXRTORQQFHVNZ-NXNVCVFFSA-N 1 1 297.402 2.582 20 30 CFEDMO N#C[C@@H]1CCC[N@@H+](Cc2cn3cc(F)ccc3n2)CC1 ZINC001232417512 777552269 /nfs/dbraw/zinc/55/22/69/777552269.db2.gz SOLSSACELCZKRO-GFCCVEGCSA-N 1 1 272.327 2.599 20 30 CFEDMO N#C[C@@H]1CCC[N@H+](Cc2cn3cc(F)ccc3n2)CC1 ZINC001232417512 777552274 /nfs/dbraw/zinc/55/22/74/777552274.db2.gz SOLSSACELCZKRO-GFCCVEGCSA-N 1 1 272.327 2.599 20 30 CFEDMO CC[N@H+](CCC#N)Cc1c[nH]c2nccc(Cl)c12 ZINC001232458099 777566785 /nfs/dbraw/zinc/56/67/85/777566785.db2.gz XGZJCFVSPGTXFI-UHFFFAOYSA-N 1 1 262.744 2.952 20 30 CFEDMO CC[N@@H+](CCC#N)Cc1c[nH]c2nccc(Cl)c12 ZINC001232458099 777566788 /nfs/dbraw/zinc/56/67/88/777566788.db2.gz XGZJCFVSPGTXFI-UHFFFAOYSA-N 1 1 262.744 2.952 20 30 CFEDMO N#Cc1ccnc(C[N@@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC001232475762 777574378 /nfs/dbraw/zinc/57/43/78/777574378.db2.gz SNAKLEHWLFECPI-MRXNPFEDSA-N 1 1 264.332 2.685 20 30 CFEDMO N#Cc1ccnc(C[N@H+]2CCC[C@@H]2c2cccnc2)c1 ZINC001232475762 777574386 /nfs/dbraw/zinc/57/43/86/777574386.db2.gz SNAKLEHWLFECPI-MRXNPFEDSA-N 1 1 264.332 2.685 20 30 CFEDMO CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1cc(C#N)ccn1 ZINC001232480371 777576421 /nfs/dbraw/zinc/57/64/21/777576421.db2.gz UIUNFMYZLVPEID-UHFFFAOYSA-N 1 1 295.386 2.726 20 30 CFEDMO C[N@H+]1CCC[C@H]1C[C@H]1CCCCN1Cc1cc(C#N)ccn1 ZINC001232480231 777576492 /nfs/dbraw/zinc/57/64/92/777576492.db2.gz PTGNGOFEZWKYGJ-ZWKOTPCHSA-N 1 1 298.434 2.792 20 30 CFEDMO C=CC[NH+]1CCN(Cc2ncc(Cl)cc2Cl)CC1 ZINC001232573135 777598075 /nfs/dbraw/zinc/59/80/75/777598075.db2.gz SUSPTWSCDNPGGC-UHFFFAOYSA-N 1 1 286.206 2.692 20 30 CFEDMO N#C[C@H]1CCC[N@H+](Cc2nc3ccccc3o2)CC1 ZINC001232558634 777603781 /nfs/dbraw/zinc/60/37/81/777603781.db2.gz QIYLNRFXWMMSHK-LBPRGKRZSA-N 1 1 255.321 2.953 20 30 CFEDMO N#C[C@H]1CCC[N@@H+](Cc2nc3ccccc3o2)CC1 ZINC001232558634 777603784 /nfs/dbraw/zinc/60/37/84/777603784.db2.gz QIYLNRFXWMMSHK-LBPRGKRZSA-N 1 1 255.321 2.953 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC(F)(F)F)C1 ZINC001270942387 777610856 /nfs/dbraw/zinc/61/08/56/777610856.db2.gz YTKTVSQYGUOFCW-ZDUSSCGKSA-N 1 1 292.345 2.733 20 30 CFEDMO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)CC[C@H]1O ZINC001232604881 777612679 /nfs/dbraw/zinc/61/26/79/777612679.db2.gz LJGMMOSAODHMLE-XHDPSFHLSA-N 1 1 278.783 2.804 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)CC[C@H]1O ZINC001232604881 777612680 /nfs/dbraw/zinc/61/26/80/777612680.db2.gz LJGMMOSAODHMLE-XHDPSFHLSA-N 1 1 278.783 2.804 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2C#N)CCC[C@H]1O ZINC001232604793 777613679 /nfs/dbraw/zinc/61/36/79/777613679.db2.gz JERUEHNKTZVMPT-IAQYHMDHSA-N 1 1 278.783 2.804 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2C#N)CCC[C@H]1O ZINC001232604793 777613687 /nfs/dbraw/zinc/61/36/87/777613687.db2.gz JERUEHNKTZVMPT-IAQYHMDHSA-N 1 1 278.783 2.804 20 30 CFEDMO COC(=O)CC[N@H+](Cc1ccc(Cl)cc1C#N)C1CC1 ZINC001232608387 777614881 /nfs/dbraw/zinc/61/48/81/777614881.db2.gz HTQPWYJLRTVYBK-UHFFFAOYSA-N 1 1 292.766 2.739 20 30 CFEDMO COC(=O)CC[N@@H+](Cc1ccc(Cl)cc1C#N)C1CC1 ZINC001232608387 777614885 /nfs/dbraw/zinc/61/48/85/777614885.db2.gz HTQPWYJLRTVYBK-UHFFFAOYSA-N 1 1 292.766 2.739 20 30 CFEDMO Cc1[nH+]cc2n1CCN(Cc1ccc(Cl)cc1C#N)C2 ZINC001232606717 777615116 /nfs/dbraw/zinc/61/51/16/777615116.db2.gz YKLCTJOGSBYHNI-UHFFFAOYSA-N 1 1 286.766 2.732 20 30 CFEDMO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2C#N)C[C@@]1(C)O ZINC001232605290 777615192 /nfs/dbraw/zinc/61/51/92/777615192.db2.gz YENORSWJWWQJAL-IAQYHMDHSA-N 1 1 278.783 2.804 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2C#N)C[C@@]1(C)O ZINC001232605290 777615194 /nfs/dbraw/zinc/61/51/94/777615194.db2.gz YENORSWJWWQJAL-IAQYHMDHSA-N 1 1 278.783 2.804 20 30 CFEDMO C=C(C)CCC(=O)NC[C@@]1(C)CCC[N@H+](C[C@@H](C)OC)C1 ZINC001270966473 777616062 /nfs/dbraw/zinc/61/60/62/777616062.db2.gz YQXHEUASSZEICM-NVXWUHKLSA-N 1 1 296.455 2.596 20 30 CFEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)CCCC)[C@H](OC)C1 ZINC001211875856 777618714 /nfs/dbraw/zinc/61/87/14/777618714.db2.gz SJDJQYIIZDIQSK-HZPDHXFCSA-N 1 1 298.471 2.962 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2(CCC)CCC2)C1 ZINC001270982678 777619734 /nfs/dbraw/zinc/61/97/34/777619734.db2.gz KJODZNPVQZBCQX-KRWDZBQOSA-N 1 1 290.451 2.808 20 30 CFEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)C(C)=C2CCCC2)[C@H]1CC ZINC001087537652 777626928 /nfs/dbraw/zinc/62/69/28/777626928.db2.gz NZVDPYIFPVYHNJ-DLBZAZTESA-N 1 1 288.435 2.869 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C)o2)[C@H]1CC ZINC001087545937 777638637 /nfs/dbraw/zinc/63/86/37/777638637.db2.gz IQNDHEIGIMXXNJ-JKSUJKDBSA-N 1 1 290.407 2.676 20 30 CFEDMO C=CCC[NH+]1CC(N(C)C(=O)[C@H](C=C)c2ccccc2)C1 ZINC001277699966 777639751 /nfs/dbraw/zinc/63/97/51/777639751.db2.gz XHUBQUNYWXBAOZ-QGZVFWFLSA-N 1 1 284.403 2.675 20 30 CFEDMO COc1ccccc1CC[N@@H+](C)Cc1cc(C#N)ccc1[O-] ZINC001232679607 777640047 /nfs/dbraw/zinc/64/00/47/777640047.db2.gz OQHXKWHNLOAXFW-UHFFFAOYSA-N 1 1 296.370 2.947 20 30 CFEDMO C[C@H]1c2cccn2CC[N@@H+]1Cc1cc(C#N)ccc1[O-] ZINC001232678920 777640615 /nfs/dbraw/zinc/64/06/15/777640615.db2.gz UWOUFLKVDIGYET-LBPRGKRZSA-N 1 1 267.332 2.642 20 30 CFEDMO C[C@H]1c2cccn2CCN1Cc1cc(C#N)ccc1[O-] ZINC001232678920 777640621 /nfs/dbraw/zinc/64/06/21/777640621.db2.gz UWOUFLKVDIGYET-LBPRGKRZSA-N 1 1 267.332 2.642 20 30 CFEDMO N#Cc1ccc([O-])c(C[N@H+]2CC[C@H](COCC3CC3)C2)c1 ZINC001232679017 777640819 /nfs/dbraw/zinc/64/08/19/777640819.db2.gz YKHURZQDOZCYEF-HNNXBMFYSA-N 1 1 286.375 2.512 20 30 CFEDMO C=C(C)C[N@H+]1CCC(F)(F)[C@H](CNC(=O)CCCC)C1 ZINC001271087064 777646138 /nfs/dbraw/zinc/64/61/38/777646138.db2.gz VSERYXAOJUZAGL-CYBMUJFWSA-N 1 1 288.382 2.826 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001038103030 777646493 /nfs/dbraw/zinc/64/64/93/777646493.db2.gz GPYRHXYQPWGADR-OAHLLOKOSA-N 1 1 264.413 2.723 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2(F)F)[C@H]1CC ZINC001087565571 777658672 /nfs/dbraw/zinc/65/86/72/777658672.db2.gz CJQNITVWBAVOII-RWMBFGLXSA-N 1 1 286.366 2.577 20 30 CFEDMO N#Cc1ccc2c(c1)CC[N@H+](Cc1ccc(CCO)cc1)C2 ZINC001232773710 777661899 /nfs/dbraw/zinc/66/18/99/777661899.db2.gz HDAZFXGHKOSORQ-UHFFFAOYSA-N 1 1 292.382 2.651 20 30 CFEDMO C=CCC1(C(=O)N(C)C2C[NH+](CCC)C2)CCCC1 ZINC001277714623 777666967 /nfs/dbraw/zinc/66/69/67/777666967.db2.gz KOUURARCVUZSQB-UHFFFAOYSA-N 1 1 264.413 2.676 20 30 CFEDMO C=C[C@@H](CO)[NH2+]C1C[C@H](C)N(Cc2ccccc2)[C@@H](C)C1 ZINC001168019260 777672175 /nfs/dbraw/zinc/67/21/75/777672175.db2.gz ICIWLFBSTZTRGK-ZOBUZTSGSA-N 1 1 288.435 2.565 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cocc2C)[C@H]1CC ZINC001087689206 777679033 /nfs/dbraw/zinc/67/90/33/777679033.db2.gz PGSOWMFNUXJSIZ-LSDHHAIUSA-N 1 1 276.380 2.747 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)[C@H]1CC ZINC001087687727 777679786 /nfs/dbraw/zinc/67/97/86/777679786.db2.gz VJPKOTZLKOUHDP-UXLLHSPISA-N 1 1 276.424 2.888 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)[C@H]1CC ZINC001087687728 777679822 /nfs/dbraw/zinc/67/98/22/777679822.db2.gz VJPKOTZLKOUHDP-ZMSDIMECSA-N 1 1 276.424 2.888 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)[C@H]1CC ZINC001087694840 777680420 /nfs/dbraw/zinc/68/04/20/777680420.db2.gz XSIZWOSXVPDELN-LSDHHAIUSA-N 1 1 278.440 2.968 20 30 CFEDMO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCCC3)[C@H]1CC ZINC001087714937 777686268 /nfs/dbraw/zinc/68/62/68/777686268.db2.gz LDBZLKHQDHRJPJ-KYHPRHEASA-N 1 1 288.435 2.559 20 30 CFEDMO COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(C#N)s1)C2 ZINC001232843265 777689971 /nfs/dbraw/zinc/68/99/71/777689971.db2.gz USYRWWWJHSDMEM-DOMZBBRYSA-N 1 1 276.405 2.868 20 30 CFEDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001232846181 777691652 /nfs/dbraw/zinc/69/16/52/777691652.db2.gz BBFVSAIGUAGGSH-LBPRGKRZSA-N 1 1 263.410 2.534 20 30 CFEDMO C#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=C)C)cc1 ZINC001029417204 777694173 /nfs/dbraw/zinc/69/41/73/777694173.db2.gz MRRVXBRUDWJYJL-HDICACEKSA-N 1 1 294.398 2.533 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@H](NC(=O)Cc2ccco2)[C@H]1CC ZINC001087769835 777695823 /nfs/dbraw/zinc/69/58/23/777695823.db2.gz YFOPIOIZROAZFL-UONOGXRCSA-N 1 1 296.798 2.544 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)Cc2ccco2)[C@H]1CC ZINC001087769835 777695826 /nfs/dbraw/zinc/69/58/26/777695826.db2.gz YFOPIOIZROAZFL-UONOGXRCSA-N 1 1 296.798 2.544 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CCCC3)[C@H]1CC ZINC001087785800 777699064 /nfs/dbraw/zinc/69/90/64/777699064.db2.gz WZOXVZMAVJLRFE-QLFBSQMISA-N 1 1 276.424 2.722 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CCCC2)[C@H]1CC ZINC001087791618 777699783 /nfs/dbraw/zinc/69/97/83/777699783.db2.gz QWKVZDONAXZOJK-VNQPRFMTSA-N 1 1 278.440 2.968 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@H]1CC ZINC001087802917 777700318 /nfs/dbraw/zinc/70/03/18/777700318.db2.gz RLTXUKJAYQDPEB-YHUYYLMFSA-N 1 1 278.440 2.968 20 30 CFEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CC ZINC001029422270 777701248 /nfs/dbraw/zinc/70/12/48/777701248.db2.gz ZWJPGGTUAAFFPZ-KFWWJZLASA-N 1 1 278.440 2.920 20 30 CFEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CC ZINC001029422271 777701575 /nfs/dbraw/zinc/70/15/75/777701575.db2.gz ZWJPGGTUAAFFPZ-SOUVJXGZSA-N 1 1 278.440 2.920 20 30 CFEDMO N#Cc1ccc(F)cc1C[NH+]1CCC2(CCCO2)CC1 ZINC001232891372 777710212 /nfs/dbraw/zinc/71/02/12/777710212.db2.gz DWHATKRMFPZTLA-UHFFFAOYSA-N 1 1 274.339 2.842 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C)c2ccccc2C)[C@H]1CC ZINC001087837911 777716451 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290.410 2.684 20 30 CFEDMO C#Cc1cccc(C[N@H+]2CCNC[C@@H]2Cc2ccccc2)c1 ZINC001235848608 778578394 /nfs/dbraw/zinc/57/83/94/778578394.db2.gz AIGSGLFNOGTUPU-FQEVSTJZSA-N 1 1 290.410 2.684 20 30 CFEDMO C#Cc1cccc(C[N@@H+]2CCN[C@H](c3ccccc3)C2)c1 ZINC001235853447 778580315 /nfs/dbraw/zinc/58/03/15/778580315.db2.gz AHIJZDZIDREGTL-IBGZPJMESA-N 1 1 276.383 2.814 20 30 CFEDMO C#Cc1cccc(C[N@H+]2CCN[C@H](c3ccccc3)C2)c1 ZINC001235853447 778580319 /nfs/dbraw/zinc/58/03/19/778580319.db2.gz AHIJZDZIDREGTL-IBGZPJMESA-N 1 1 276.383 2.814 20 30 CFEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CCC(F)(F)CC3)[C@@H]2C1 ZINC001076288768 778581536 /nfs/dbraw/zinc/58/15/36/778581536.db2.gz MVWSYJWLVPKUDB-UONOGXRCSA-N 1 1 298.377 2.531 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCN[C@H](c3ccccc3)C2)cc1 ZINC001235860408 778583270 /nfs/dbraw/zinc/58/32/70/778583270.db2.gz VQEVSNYUVYISSZ-IBGZPJMESA-N 1 1 291.398 2.747 20 30 CFEDMO N#Cc1ccc(CCN2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC001235860408 778583272 /nfs/dbraw/zinc/58/32/72/778583272.db2.gz VQEVSNYUVYISSZ-IBGZPJMESA-N 1 1 291.398 2.747 20 30 CFEDMO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)c3ccccc3)[C@@H]2C1 ZINC001076483518 778591057 /nfs/dbraw/zinc/59/10/57/778591057.db2.gz CUASYOSVIXICAO-HYVNUMGLSA-N 1 1 284.403 2.509 20 30 CFEDMO C=CC[N@H+]1CC[C@H]1CNC(=O)c1ccc2cc(C)ccc2n1 ZINC001038503205 778592434 /nfs/dbraw/zinc/59/24/34/778592434.db2.gz VTMNOCULTXELEN-HNNXBMFYSA-N 1 1 295.386 2.533 20 30 CFEDMO C=CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2cc(C)ccc2n1 ZINC001038503205 778592438 /nfs/dbraw/zinc/59/24/38/778592438.db2.gz VTMNOCULTXELEN-HNNXBMFYSA-N 1 1 295.386 2.533 20 30 CFEDMO C=C(Cl)C[N@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)C3CC3)[C@@H]2C1 ZINC001076612889 778599103 /nfs/dbraw/zinc/59/91/03/778599103.db2.gz QTKLPVMOYNFXRZ-TUKIKUTGSA-N 1 1 296.842 2.708 20 30 CFEDMO C=C(Cl)C[N@@H+]1C[C@@H]2CCN(C(=O)C[C@H](C)C3CC3)[C@@H]2C1 ZINC001076612889 778599107 /nfs/dbraw/zinc/59/91/07/778599107.db2.gz QTKLPVMOYNFXRZ-TUKIKUTGSA-N 1 1 296.842 2.708 20 30 CFEDMO [NH3+]CCC1CN(Cc2ccc(C#Cc3ccccc3)s2)C1 ZINC001235919059 778608985 /nfs/dbraw/zinc/60/89/85/778608985.db2.gz QUEJHAVGZHCPPO-UHFFFAOYSA-N 1 1 296.439 2.929 20 30 CFEDMO C=C(C)COc1ccccc1CN1CCC[C@H]1CC[NH3+] ZINC001235925747 778612951 /nfs/dbraw/zinc/61/29/51/778612951.db2.gz ZGGFYJRUGLSBPN-INIZCTEOSA-N 1 1 274.408 2.955 20 30 CFEDMO CCCC[C@@H]1C[N@H+](CCCc2cccc(C#N)c2)CCN1 ZINC001236135120 778709331 /nfs/dbraw/zinc/70/93/31/778709331.db2.gz OBUPLBUZJXJBCS-GOSISDBHSA-N 1 1 285.435 2.955 20 30 CFEDMO CCCC[C@@H]1C[N@@H+](CCCc2cccc(C#N)c2)CCN1 ZINC001236135120 778709334 /nfs/dbraw/zinc/70/93/34/778709334.db2.gz OBUPLBUZJXJBCS-GOSISDBHSA-N 1 1 285.435 2.955 20 30 CFEDMO C#CCOc1ccc(CN(C[C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC001236598641 778890114 /nfs/dbraw/zinc/89/01/14/778890114.db2.gz MLUTYHUVGCBKLW-KRWDZBQOSA-N 1 1 298.430 2.663 20 30 CFEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C=C1CCC1 ZINC001099016333 778913349 /nfs/dbraw/zinc/91/33/49/778913349.db2.gz KBDIADWETKXHOT-HNNXBMFYSA-N 1 1 276.424 2.890 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc3[nH]ccc32)[C@H]1C ZINC001088875217 778929421 /nfs/dbraw/zinc/92/94/21/778929421.db2.gz XAZQFRSSRYKSCN-DOMZBBRYSA-N 1 1 283.375 2.547 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccc3cc[nH]c3c2)[C@H]1C ZINC001088884400 778935393 /nfs/dbraw/zinc/93/53/93/778935393.db2.gz SELKTCKYNMAQQH-CJNGLKHVSA-N 1 1 297.402 2.937 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](F)c2ccccc2)[C@H]1C ZINC001088886041 778937193 /nfs/dbraw/zinc/93/71/93/778937193.db2.gz AFKMHLDROAYFMK-KBMXLJTQSA-N 1 1 290.382 2.852 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cc3ccccn3c2)[C@H]1C ZINC001088896743 778938933 /nfs/dbraw/zinc/93/89/33/778938933.db2.gz ZZMSEUBPFAQNJN-PBHICJAKSA-N 1 1 297.402 2.708 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC(C)C)C2 ZINC001045910203 778945844 /nfs/dbraw/zinc/94/58/44/778945844.db2.gz RUHRPTJPHCZNOA-GOSISDBHSA-N 1 1 290.451 2.760 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236807410 778946259 /nfs/dbraw/zinc/94/62/59/778946259.db2.gz ORUGQVAXXUTAMH-LLVKDONJSA-N 1 1 279.767 2.899 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236807410 778946261 /nfs/dbraw/zinc/94/62/61/778946261.db2.gz ORUGQVAXXUTAMH-LLVKDONJSA-N 1 1 279.767 2.899 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2O)C1 ZINC001236807410 778946269 /nfs/dbraw/zinc/94/62/69/778946269.db2.gz ORUGQVAXXUTAMH-LLVKDONJSA-N 1 1 279.767 2.899 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(F)CCCCC2)[C@H]1C ZINC001088958275 778960878 /nfs/dbraw/zinc/96/08/78/778960878.db2.gz SUKOKLINMVLIGK-KGLIPLIRSA-N 1 1 282.403 2.814 20 30 CFEDMO CCOc1cncc(C[N@@H+]2CCC[C@H](C#N)CC2)c1 ZINC001236840791 778962372 /nfs/dbraw/zinc/96/23/72/778962372.db2.gz ODRJZQCZQARLQC-ZDUSSCGKSA-N 1 1 259.353 2.606 20 30 CFEDMO CCOc1cncc(C[N@H+]2CCC[C@H](C#N)CC2)c1 ZINC001236840791 778962376 /nfs/dbraw/zinc/96/23/76/778962376.db2.gz ODRJZQCZQARLQC-ZDUSSCGKSA-N 1 1 259.353 2.606 20 30 CFEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2c(C)csc2Cl)[C@H]1C ZINC001089007626 778973360 /nfs/dbraw/zinc/97/33/60/778973360.db2.gz OTPMWOSZJRUQRN-MNOVXSKESA-N 1 1 296.823 2.536 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2c(C)csc2Cl)[C@H]1C ZINC001089007626 778973364 /nfs/dbraw/zinc/97/33/64/778973364.db2.gz OTPMWOSZJRUQRN-MNOVXSKESA-N 1 1 296.823 2.536 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc3ccccc32)[C@H]1C ZINC001089016472 778974340 /nfs/dbraw/zinc/97/43/40/778974340.db2.gz BQBSBLVIEVEONH-KDOFPFPSSA-N 1 1 292.382 2.666 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C)c(C)c2)[C@H]1C ZINC001089018663 778974836 /nfs/dbraw/zinc/97/48/36/778974836.db2.gz UXDFPWGNIAAKIY-WBVHZDCISA-N 1 1 284.403 2.519 20 30 CFEDMO C#CC[N@H+](C)Cc1ccc(-n2ccnc2)c(Cl)c1 ZINC001236914013 778981181 /nfs/dbraw/zinc/98/11/81/778981181.db2.gz KRDCSUGMGAKBMR-UHFFFAOYSA-N 1 1 259.740 2.591 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC=C(C)CC2)[C@H]1C ZINC001089054408 778982633 /nfs/dbraw/zinc/98/26/33/778982633.db2.gz OHJIABFGFXCLTO-HLLBOEOZSA-N 1 1 276.424 2.888 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccc(C#N)s2)CCC[C@]1(C)O ZINC001232844514 778982827 /nfs/dbraw/zinc/98/28/27/778982827.db2.gz RZBRLYWOCNCBGO-RISCZKNCSA-N 1 1 264.394 2.603 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CC(F)(F)CO3)s1 ZINC001232845712 778982914 /nfs/dbraw/zinc/98/29/14/778982914.db2.gz LIMUSZUKLXHFPL-LBPRGKRZSA-N 1 1 284.331 2.620 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CC(F)(F)CO3)s1 ZINC001232845712 778982918 /nfs/dbraw/zinc/98/29/18/778982918.db2.gz LIMUSZUKLXHFPL-LBPRGKRZSA-N 1 1 284.331 2.620 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC(C)C)[C@H]1C ZINC001089068769 778987259 /nfs/dbraw/zinc/98/72/59/778987259.db2.gz UCDDOYCYINTFHK-QAPCUYQASA-N 1 1 298.430 2.711 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2CC(c3ccccc3)C2)[C@H]1C ZINC001089071787 778987674 /nfs/dbraw/zinc/98/76/74/778987674.db2.gz UTCLBASSTQOIBH-LTDKPHRXSA-N 1 1 298.430 2.945 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2cc(C)ccc2C2CC2)C1 ZINC001030735684 779003984 /nfs/dbraw/zinc/00/39/84/779003984.db2.gz BLTWNOUAEIANNG-UHFFFAOYSA-N 1 1 284.403 2.863 20 30 CFEDMO CCOC(=O)Cc1cc[nH+]c(NCCCCC#N)c1C ZINC001168428080 779013139 /nfs/dbraw/zinc/01/31/39/779013139.db2.gz XCWNDLSONFMPLA-UHFFFAOYSA-N 1 1 275.352 2.601 20 30 CFEDMO COc1cccc2c(C[N@@H+]3CC[C@@](C)(C#N)C3)ccnc12 ZINC001237121966 779018037 /nfs/dbraw/zinc/01/80/37/779018037.db2.gz LGMSMAJGGFFKCC-KRWDZBQOSA-N 1 1 281.359 2.979 20 30 CFEDMO COc1cccc2c(C[N@H+]3CC[C@@](C)(C#N)C3)ccnc12 ZINC001237121966 779018044 /nfs/dbraw/zinc/01/80/44/779018044.db2.gz LGMSMAJGGFFKCC-KRWDZBQOSA-N 1 1 281.359 2.979 20 30 CFEDMO CNc1ncccc1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000061947517 779024137 /nfs/dbraw/zinc/02/41/37/779024137.db2.gz AIMYFKGMKGBGCE-UHFFFAOYSA-N 1 1 266.348 2.627 20 30 CFEDMO CNc1ncccc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000061947517 779024152 /nfs/dbraw/zinc/02/41/52/779024152.db2.gz AIMYFKGMKGBGCE-UHFFFAOYSA-N 1 1 266.348 2.627 20 30 CFEDMO C#CC1CC[NH+](Cc2ccc(Cl)nc2OC)CC1 ZINC001237246381 779060094 /nfs/dbraw/zinc/06/00/94/779060094.db2.gz AYEHTFLWEHABSO-UHFFFAOYSA-N 1 1 264.756 2.589 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(F)c(Cl)c2)C1 ZINC001030871333 779069568 /nfs/dbraw/zinc/06/95/68/779069568.db2.gz CRUFSNFJGIRBPT-UHFFFAOYSA-N 1 1 296.773 2.859 20 30 CFEDMO C=CCCC(=O)N[C@H](C)C[C@@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC001089251481 779082154 /nfs/dbraw/zinc/08/21/54/779082154.db2.gz WAEXANHNJSNXCS-VXGBXAGGSA-N 1 1 290.411 2.755 20 30 CFEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2CC(C)C ZINC001272413837 779082518 /nfs/dbraw/zinc/08/25/18/779082518.db2.gz ZLEJAKVLDHMUSP-MRXNPFEDSA-N 1 1 264.413 2.676 20 30 CFEDMO Cc1ccc(C#N)c(NC(=O)[C@@H]2CCC[C@@]23CC[N@H+](C)C3)c1 ZINC001278089143 779085017 /nfs/dbraw/zinc/08/50/17/779085017.db2.gz BGEADPCDIAWFPR-YJBOKZPZSA-N 1 1 297.402 2.927 20 30 CFEDMO C=CCN1CC[C@@]2(CC[N@H+](Cc3ccccc3CC)C2)C1=O ZINC001272421328 779091473 /nfs/dbraw/zinc/09/14/73/779091473.db2.gz JTANKSDAJYPHLG-LJQANCHMSA-N 1 1 298.430 2.859 20 30 CFEDMO C=C(C)CN1CC[C@]2(CC[N@H+](C[C@@H](C)CCC)C2)C1=O ZINC001272429000 779093033 /nfs/dbraw/zinc/09/30/33/779093033.db2.gz JFSYOWOEVJZZMH-RDJZCZTQSA-N 1 1 278.440 2.923 20 30 CFEDMO COc1ccc2c(c1)[nH]nc2C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001237392778 779093627 /nfs/dbraw/zinc/09/36/27/779093627.db2.gz TUQAVRRVKDGJSB-GFCCVEGCSA-N 1 1 284.363 2.697 20 30 CFEDMO COc1ccc2c(c1)[nH]nc2C[N@H+]1CCC[C@H](CC#N)C1 ZINC001237392778 779093630 /nfs/dbraw/zinc/09/36/30/779093630.db2.gz TUQAVRRVKDGJSB-GFCCVEGCSA-N 1 1 284.363 2.697 20 30 CFEDMO CCC[C@H](C)C[N@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001272430359 779095071 /nfs/dbraw/zinc/09/50/71/779095071.db2.gz HGOKVIYOJDCYPI-RDJZCZTQSA-N 1 1 291.439 2.793 20 30 CFEDMO CC[N@H+]1CCCC[C@]12CC(=O)N(Cc1cccc(C#N)c1)C2 ZINC001272437668 779098291 /nfs/dbraw/zinc/09/82/91/779098291.db2.gz LVODGGAGQVLJNF-GOSISDBHSA-N 1 1 297.402 2.535 20 30 CFEDMO C=C1CC(C)(C(=O)NC2C[NH+]([C@@H]3CCc4ccccc43)C2)C1 ZINC001030924825 779105469 /nfs/dbraw/zinc/10/54/69/779105469.db2.gz YRTMDHNUKODRNU-QGZVFWFLSA-N 1 1 296.414 2.831 20 30 CFEDMO C=CCN1CC[C@@]2(CCC[N@H+](CCCC)CC2)C1=O ZINC001272464316 779112468 /nfs/dbraw/zinc/11/24/68/779112468.db2.gz OOTATIIIBGNFTR-INIZCTEOSA-N 1 1 264.413 2.677 20 30 CFEDMO CC[N@@H+](Cc1cn(C)c2ccc(C#N)cc12)CC(C)(C)O ZINC001237473895 779116509 /nfs/dbraw/zinc/11/65/09/779116509.db2.gz YENYJNAOCBTOOC-UHFFFAOYSA-N 1 1 285.391 2.643 20 30 CFEDMO Cn1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c2cc(C#N)ccc21 ZINC001237473891 779116545 /nfs/dbraw/zinc/11/65/45/779116545.db2.gz YEFYHSNIDJUQSA-KDOFPFPSSA-N 1 1 295.386 2.661 20 30 CFEDMO CCCCC[N@H+]1CCCC[C@]12CC(=O)N(CCCC#N)C2 ZINC001272470754 779116488 /nfs/dbraw/zinc/11/64/88/779116488.db2.gz KAHZZMMRGVIEAW-QGZVFWFLSA-N 1 1 291.439 2.937 20 30 CFEDMO CCCCC[N@H+]1CCC[C@@]12CCN(CCCC#N)C2=O ZINC001272470842 779116837 /nfs/dbraw/zinc/11/68/37/779116837.db2.gz LXAFCKOEGQRDJU-INIZCTEOSA-N 1 1 277.412 2.547 20 30 CFEDMO C[NH+](C)Cc1cccc(C(=O)Nc2cc(C#N)ccc2O)c1 ZINC000176400137 779123886 /nfs/dbraw/zinc/12/38/86/779123886.db2.gz NOWQBXIUGDEBGS-UHFFFAOYSA-N 1 1 295.342 2.578 20 30 CFEDMO CCCCCCC[NH+]1CC2(C1)CN(CC(C)C)C(=O)CO2 ZINC001272478560 779124068 /nfs/dbraw/zinc/12/40/68/779124068.db2.gz MSYJBBWRKTXUQN-UHFFFAOYSA-N 1 1 296.455 2.526 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@@]2(CCN(C)C2=O)C1 ZINC001272479167 779124591 /nfs/dbraw/zinc/12/45/91/779124591.db2.gz YSXZRTTULXWIOO-HNNXBMFYSA-N 1 1 252.402 2.511 20 30 CFEDMO C[C@]1(O)CCC[N@H+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237524766 779125860 /nfs/dbraw/zinc/12/58/60/779125860.db2.gz MHUALWIKBUAXDG-HNNXBMFYSA-N 1 1 280.318 2.573 20 30 CFEDMO C[C@]1(O)CCC[N@@H+](Cc2cc(C#N)c(F)cc2F)CC1 ZINC001237524766 779125865 /nfs/dbraw/zinc/12/58/65/779125865.db2.gz MHUALWIKBUAXDG-HNNXBMFYSA-N 1 1 280.318 2.573 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H](C)c2cccs2)C1 ZINC001030942492 779127581 /nfs/dbraw/zinc/12/75/81/779127581.db2.gz KVSIIHFTKDKANT-LBPRGKRZSA-N 1 1 278.421 2.618 20 30 CFEDMO CC(=O)N[C@H]1CC[N@@H+](CC#Cc2ccccc2)CC(C)(C)C1 ZINC001089286181 779132652 /nfs/dbraw/zinc/13/26/52/779132652.db2.gz WYYYZYZPXRDYOI-SFHVURJKSA-N 1 1 298.430 2.665 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2ccc(C(F)F)c(F)c2)C1 ZINC001030948712 779133300 /nfs/dbraw/zinc/13/33/00/779133300.db2.gz OGYBQCRNRDQDBX-UHFFFAOYSA-N 1 1 298.308 2.753 20 30 CFEDMO C[C@@]1(C#N)CC[N@H+]([C@H]2CCc3cc(F)ccc3C2)C1 ZINC001168444170 779136566 /nfs/dbraw/zinc/13/65/66/779136566.db2.gz FYOCAAUVWIZKSR-HOTGVXAUSA-N 1 1 258.340 2.919 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2c(F)c(OC)ccc2OC)C1 ZINC001237583903 779137152 /nfs/dbraw/zinc/13/71/52/779137152.db2.gz FNIVGQLBKSTBDV-GFCCVEGCSA-N 1 1 277.339 2.688 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2c(F)c(OC)ccc2OC)C1 ZINC001237583903 779137155 /nfs/dbraw/zinc/13/71/55/779137155.db2.gz FNIVGQLBKSTBDV-GFCCVEGCSA-N 1 1 277.339 2.688 20 30 CFEDMO CC1(F)CC[NH+](Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237609381 779141598 /nfs/dbraw/zinc/14/15/98/779141598.db2.gz QFYIKZBEQQFRIT-UHFFFAOYSA-N 1 1 272.327 2.530 20 30 CFEDMO CC(C)(C)CC[N@H+]1CC[C@]2(CCN(CCCC#N)C2=O)C1 ZINC001272495554 779142005 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CCC[N@H+]1CC[C@H]2C[C@]21C(=O)Nc1cc(C)ccc1C#N ZINC001278186818 779250618 /nfs/dbraw/zinc/25/06/18/779250618.db2.gz OWFRVRUMTPZITJ-WMLDXEAASA-N 1 1 283.375 2.680 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C(C)C)CC(C)(C)C1 ZINC001089323367 779262917 /nfs/dbraw/zinc/26/29/17/779262917.db2.gz BHISWHDNHDMCBA-AWEZNQCLSA-N 1 1 266.429 2.825 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCCC[C@H]2CC)C1 ZINC001031167191 779267742 /nfs/dbraw/zinc/26/77/42/779267742.db2.gz CPDHHLFLKNNGSD-ZBFHGGJFSA-N 1 1 278.440 2.969 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCC[C@@](F)(CO)CC2)ccc1Cl ZINC001238189622 779273489 /nfs/dbraw/zinc/27/34/89/779273489.db2.gz UJKIRSLICBPMPG-HNNXBMFYSA-N 1 1 296.773 2.898 20 30 CFEDMO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(Cl)c(C#N)c3)C[C@@H]21 ZINC001238199831 779278541 /nfs/dbraw/zinc/27/85/41/779278541.db2.gz ZOXKUKHWUOJLSP-CJNGLKHVSA-N 1 1 289.810 2.738 20 30 CFEDMO C=CCN1CC[C@@]2(CCC[N@H+]2Cc2ccccc2F)C1=O ZINC001272594884 779289327 /nfs/dbraw/zinc/28/93/27/779289327.db2.gz 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2.727 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cc[nH]c2)CC(C)(C)C1 ZINC001089390251 779450182 /nfs/dbraw/zinc/45/01/82/779450182.db2.gz BJIXZRMWYPORAL-HNNXBMFYSA-N 1 1 289.423 2.811 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C2(C)CC2)CC(C)(C)C1 ZINC001089392455 779451131 /nfs/dbraw/zinc/45/11/31/779451131.db2.gz UMRHRBCIYVKRKU-CQSZACIVSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001031458859 779462768 /nfs/dbraw/zinc/46/27/68/779462768.db2.gz NAZNXOHFKAGWMU-CQSZACIVSA-N 1 1 264.413 2.579 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2ccccc2CC(C)C)C1 ZINC001031459238 779464004 /nfs/dbraw/zinc/46/40/04/779464004.db2.gz OGNGCSKYYRPCJB-UHFFFAOYSA-N 1 1 286.419 2.875 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2CCC3)CC(C)(C)C1 ZINC001089441424 779471047 /nfs/dbraw/zinc/47/10/47/779471047.db2.gz ZIJGHHXNRFXLMT-RVKKMQEKSA-N 1 1 290.451 2.969 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CCC2)CC(C)(C)C1 ZINC001089460134 779484609 /nfs/dbraw/zinc/48/46/09/779484609.db2.gz FWIFSARMFPMOAR-CQSZACIVSA-N 1 1 278.440 2.969 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC2(C)C)CC(C)(C)C1 ZINC001089464918 779489552 /nfs/dbraw/zinc/48/95/52/779489552.db2.gz MBECZAMRANYPSI-LSDHHAIUSA-N 1 1 290.451 2.663 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2nccs2)CC(C)(C)C1 ZINC001089528085 779502953 /nfs/dbraw/zinc/50/29/53/779502953.db2.gz FBLGJTHHYUXARE-GFCCVEGCSA-N 1 1 293.436 2.550 20 30 CFEDMO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)CCC1(C)CC1 ZINC001281965328 779533798 /nfs/dbraw/zinc/53/37/98/779533798.db2.gz QYRKRHZOIJWHKA-OAHLLOKOSA-N 1 1 276.424 2.513 20 30 CFEDMO C#CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC=CC1 ZINC001089622077 779547309 /nfs/dbraw/zinc/54/73/09/779547309.db2.gz DNMUKAKMRGWDLW-INIZCTEOSA-N 1 1 288.435 2.583 20 30 CFEDMO CC#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001089628033 779548581 /nfs/dbraw/zinc/54/85/81/779548581.db2.gz FSWOGTVFMVGTMY-HUUCEWRRSA-N 1 1 290.451 2.663 20 30 CFEDMO C=C(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CCC)C1 ZINC001089758592 779585093 /nfs/dbraw/zinc/58/50/93/779585093.db2.gz SNGWSVMOTCCTGG-QAETUUGQSA-N 1 1 290.451 2.922 20 30 CFEDMO C=C(C)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC1CC1 ZINC001089754778 779588354 /nfs/dbraw/zinc/58/83/54/779588354.db2.gz LQBAHFRHDVDIEX-YVSFHVDLSA-N 1 1 288.435 2.531 20 30 CFEDMO C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(C)C ZINC001089775103 779590925 /nfs/dbraw/zinc/59/09/25/779590925.db2.gz DUYQCIZVZJRKBH-XQLPTFJDSA-N 1 1 296.842 2.564 20 30 CFEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)=C(C)C)C1 ZINC001089790719 779601152 /nfs/dbraw/zinc/60/11/52/779601152.db2.gz WJBLNYIOCFNTTB-AJNGGQMLSA-N 1 1 292.398 2.605 20 30 CFEDMO CCCCCCC[N@H+]1C[C@@H](NC(=O)C2(C)CC2)[C@H](OC)C1 ZINC001212306450 779603572 /nfs/dbraw/zinc/60/35/72/779603572.db2.gz HRMJLDDBTJEWBV-HUUCEWRRSA-N 1 1 296.455 2.572 20 30 CFEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2F)no1 ZINC001212325608 779610671 /nfs/dbraw/zinc/61/06/71/779610671.db2.gz XCWVWUCRQKMRSB-LBPRGKRZSA-N 1 1 277.274 2.818 20 30 CFEDMO C#CCCC[C@H]([NH3+])c1nc(-c2cc(Cl)cnc2C)no1 ZINC001212327318 779612309 /nfs/dbraw/zinc/61/23/09/779612309.db2.gz ZNXBJXIXHPZPAZ-LBPRGKRZSA-N 1 1 290.754 2.897 20 30 CFEDMO C#CCN1CC[C@@]2(CCC[N@@H+]2CCCCCCC=C)C1=O ZINC001272703120 779676568 /nfs/dbraw/zinc/67/65/68/779676568.db2.gz ZZUGDDSDIJRJQS-SFHVURJKSA-N 1 1 288.435 2.823 20 30 CFEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ncccc1C ZINC001272715374 779712669 /nfs/dbraw/zinc/71/26/69/779712669.db2.gz IEAZBIUESRQEOO-SFHVURJKSA-N 1 1 299.418 2.533 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)CC[C@H]1O ZINC001238080614 779740550 /nfs/dbraw/zinc/74/05/50/779740550.db2.gz SSIMNUAMEYDOAF-XHDPSFHLSA-N 1 1 278.783 2.804 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC[C@]3(CCCO3)C2)ccc1Cl ZINC001238189566 779762017 /nfs/dbraw/zinc/76/20/17/779762017.db2.gz SBVUIWARHUMGGR-OAHLLOKOSA-N 1 1 276.767 2.967 20 30 CFEDMO 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C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC001034106207 780895070 /nfs/dbraw/zinc/89/50/70/780895070.db2.gz FXDOCROYHZNJBN-CQSZACIVSA-N 1 1 275.396 2.565 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001034143463 780906422 /nfs/dbraw/zinc/90/64/22/780906422.db2.gz XVBYDTHJPDOCOK-MRXNPFEDSA-N 1 1 276.424 2.561 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001034147976 780907303 /nfs/dbraw/zinc/90/73/03/780907303.db2.gz YILWGGDNANHFSQ-GXTWGEPZSA-N 1 1 284.831 2.756 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001034147976 780907304 /nfs/dbraw/zinc/90/73/04/780907304.db2.gz YILWGGDNANHFSQ-GXTWGEPZSA-N 1 1 284.831 2.756 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)Cc2ccc(C)o2)C1 ZINC001034168228 780913978 /nfs/dbraw/zinc/91/39/78/780913978.db2.gz RVGGIAOTGGCEAU-HNNXBMFYSA-N 1 1 290.407 2.677 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001034166483 780914301 /nfs/dbraw/zinc/91/43/01/780914301.db2.gz 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C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001034352376 780954846 /nfs/dbraw/zinc/95/48/46/780954846.db2.gz POHVGYFAZGGMMH-DLBZAZTESA-N 1 1 288.435 2.727 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034352206 780955784 /nfs/dbraw/zinc/95/57/84/780955784.db2.gz WJPZTYNCWJLNFQ-RDJZCZTQSA-N 1 1 276.424 2.890 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC(C)(C)C2)C1 ZINC001034385979 780962134 /nfs/dbraw/zinc/96/21/34/780962134.db2.gz ORJSGCUTHGDDSV-CABCVRRESA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001034408102 780965317 /nfs/dbraw/zinc/96/53/17/780965317.db2.gz HSHPNLDVWZGUGY-OAHLLOKOSA-N 1 1 297.402 2.938 20 30 CFEDMO C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001034406775 780965538 /nfs/dbraw/zinc/96/55/38/780965538.db2.gz SAYCFRSZSVHMGS-BZUAXINKSA-N 1 1 278.440 2.969 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC001034415722 780971509 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CC#CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034498748 780984572 /nfs/dbraw/zinc/98/45/72/780984572.db2.gz NZHNLBYFXMWRGB-ULQDDVLXSA-N 1 1 290.451 2.807 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2oc(CC)cc2C)C1 ZINC001034484801 780986016 /nfs/dbraw/zinc/98/60/16/780986016.db2.gz OJMHJURNZNOYQZ-CQSZACIVSA-N 1 1 290.407 2.921 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)c2ccc(C)c(C)c2)C1 ZINC001034518657 780992406 /nfs/dbraw/zinc/99/24/06/780992406.db2.gz LDGZWDPTHYYVBR-SFHVURJKSA-N 1 1 298.430 2.911 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cccn2CC)C1 ZINC001034537722 780994326 /nfs/dbraw/zinc/99/43/26/780994326.db2.gz KIMIWTPFRLMVCX-HNNXBMFYSA-N 1 1 289.423 2.668 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001034535304 780994331 /nfs/dbraw/zinc/99/43/31/780994331.db2.gz MEAKXZIUEVUZLR-KRWDZBQOSA-N 1 1 288.435 2.727 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](Cc2ccccc2CC(=O)OC)C1 ZINC000703696573 781048658 /nfs/dbraw/zinc/04/86/58/781048658.db2.gz HDOAQLNNRPLVDU-CQSZACIVSA-N 1 1 273.376 2.800 20 30 CFEDMO N#Cc1c2c(cnc1-c1ccc3[nH]cnc3c1)C[NH2+]CCC2 ZINC001241681728 781069767 /nfs/dbraw/zinc/06/97/67/781069767.db2.gz ZLXPATYQMCVNAR-UHFFFAOYSA-N 1 1 289.342 2.532 20 30 CFEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCC ZINC001098854819 781073991 /nfs/dbraw/zinc/07/39/91/781073991.db2.gz BLUHMDUXHZSSBJ-CQSZACIVSA-N 1 1 266.429 2.969 20 30 CFEDMO CC#CC[N@H+]1CCC2(C1)CCN(C(=O)c1ccccc1)CC2 ZINC001035150191 781116109 /nfs/dbraw/zinc/11/61/09/781116109.db2.gz QTHYJIWOBLHXIQ-UHFFFAOYSA-N 1 1 296.414 2.638 20 30 CFEDMO C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C1CCCCC1)CC2 ZINC001035153480 781118346 /nfs/dbraw/zinc/11/83/46/781118346.db2.gz GPVSMMAYQOZBOD-UHFFFAOYSA-N 1 1 288.435 2.514 20 30 CFEDMO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)c1ccc[nH]1)CC2 ZINC001035154313 781118449 /nfs/dbraw/zinc/11/84/49/781118449.db2.gz ODKCNZHHCWNZNQ-UHFFFAOYSA-N 1 1 287.407 2.519 20 30 CFEDMO C=C(C)CC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)C)CC2 ZINC001035163932 781120547 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/nfs/dbraw/zinc/68/68/98/351686898.db2.gz XZBKGUXUPSHCJS-AWEZNQCLSA-N 1 1 276.380 2.661 20 30 CFEDMO COCC[N@@H+](CCC#N)C[C@H](C)c1ccc(OC)cc1 ZINC000611413818 351686901 /nfs/dbraw/zinc/68/69/01/351686901.db2.gz XZBKGUXUPSHCJS-AWEZNQCLSA-N 1 1 276.380 2.661 20 30 CFEDMO Cc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)ncn1 ZINC000611438854 351690172 /nfs/dbraw/zinc/69/01/72/351690172.db2.gz UHLWYUJSHNHGHQ-GFCCVEGCSA-N 1 1 252.321 2.508 20 30 CFEDMO C[N@H+]1CC[C@H]2CCN(c3cc(C#N)nc4ccccc43)[C@@H]2C1 ZINC000611510201 351701877 /nfs/dbraw/zinc/70/18/77/351701877.db2.gz GCXMWBTXUAAVTB-SCLBCKFNSA-N 1 1 292.386 2.637 20 30 CFEDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000611281985 351663410 /nfs/dbraw/zinc/66/34/10/351663410.db2.gz VLOWBMNWSONPKZ-MRXNPFEDSA-N 1 1 266.348 2.931 20 30 CFEDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(C#N)cs1 ZINC000611285857 351664481 /nfs/dbraw/zinc/66/44/81/351664481.db2.gz FKKIBUCRDBLURV-OAHLLOKOSA-N 1 1 286.404 2.999 20 30 CFEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(C#N)cs1 ZINC000611285857 351664486 /nfs/dbraw/zinc/66/44/86/351664486.db2.gz FKKIBUCRDBLURV-OAHLLOKOSA-N 1 1 286.404 2.999 20 30 CFEDMO C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cnccc1C#N ZINC000611370453 351675541 /nfs/dbraw/zinc/67/55/41/351675541.db2.gz JVQABSSACBWSKI-MJBXVCDLSA-N 1 1 272.396 2.732 20 30 CFEDMO C[C@@H]1CC[C@@]2(CC[N@@H+](Cc3ccnc(C#N)c3)C2)C1 ZINC000611696398 351724786 /nfs/dbraw/zinc/72/47/86/351724786.db2.gz ADFXTVHGVOCKBM-CZUORRHYSA-N 1 1 255.365 2.965 20 30 CFEDMO Cc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2F)[nH]n1 ZINC000611587399 351712558 /nfs/dbraw/zinc/71/25/58/351712558.db2.gz BYKNCPWHZBMNQJ-SNVBAGLBSA-N 1 1 258.300 2.580 20 30 CFEDMO C[C@@]1(C#N)CCC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000612165420 351783567 /nfs/dbraw/zinc/78/35/67/351783567.db2.gz LPEQXFCRBXIZBY-KRWDZBQOSA-N 1 1 270.376 2.790 20 30 CFEDMO C[C@@]1(C#N)CCC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000612165420 351783569 /nfs/dbraw/zinc/78/35/69/351783569.db2.gz LPEQXFCRBXIZBY-KRWDZBQOSA-N 1 1 270.376 2.790 20 30 CFEDMO COc1ccc(CC[N@@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612164631 351783593 /nfs/dbraw/zinc/78/35/93/351783593.db2.gz FCNJMTWGEQOODB-MRXNPFEDSA-N 1 1 258.365 2.863 20 30 CFEDMO COc1ccc(CC[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000612164631 351783595 /nfs/dbraw/zinc/78/35/95/351783595.db2.gz FCNJMTWGEQOODB-MRXNPFEDSA-N 1 1 258.365 2.863 20 30 CFEDMO C[N@@H+](CCOC(C)(C)C)Cc1ccc(CC#N)cc1 ZINC000612092337 351773297 /nfs/dbraw/zinc/77/32/97/351773297.db2.gz TXWDGRHLMKGXBT-UHFFFAOYSA-N 1 1 260.381 3.000 20 30 CFEDMO C[C@H](NCc1ccnc(C#N)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000612489178 351826330 /nfs/dbraw/zinc/82/63/30/351826330.db2.gz GPAHQDTUGMVBCA-HOCLYGCPSA-N 1 1 298.434 2.696 20 30 CFEDMO C[C@@H]1C[C@@H](Nc2ccc(F)cc2C#N)C[N@H+]1C1CC1 ZINC000123033481 187067650 /nfs/dbraw/zinc/06/76/50/187067650.db2.gz KGHQRMYLDVKJHP-ZWNOBZJWSA-N 1 1 259.328 2.734 20 30 CFEDMO Cc1nn(-c2ccccc2)cc1C[NH2+]CC(C)(C)C#N ZINC000612588078 351840658 /nfs/dbraw/zinc/84/06/58/351840658.db2.gz OXGDHSDYVODJPX-UHFFFAOYSA-N 1 1 268.364 2.820 20 30 CFEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000122982608 187063965 /nfs/dbraw/zinc/06/39/65/187063965.db2.gz CNWYNFOUQXBLTO-KBPBESRZSA-N 1 1 288.391 2.924 20 30 CFEDMO C[C@@H]1CC[N@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000122990953 187064208 /nfs/dbraw/zinc/06/42/08/187064208.db2.gz TXFFESGINOQMDD-MNOVXSKESA-N 1 1 277.393 2.536 20 30 CFEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2C#N)C[C@@H]1C ZINC000122990953 187064209 /nfs/dbraw/zinc/06/42/09/187064209.db2.gz TXFFESGINOQMDD-MNOVXSKESA-N 1 1 277.393 2.536 20 30 CFEDMO C[C@H]1C[N@@H+](CC(=O)Nc2sccc2C#N)CC[C@@H]1C ZINC000122991189 187064754 /nfs/dbraw/zinc/06/47/54/187064754.db2.gz TXFFESGINOQMDD-QWRGUYRKSA-N 1 1 277.393 2.536 20 30 CFEDMO C[C@H]1C[N@H+](CC(=O)Nc2sccc2C#N)CC[C@@H]1C ZINC000122991189 187064755 /nfs/dbraw/zinc/06/47/55/187064755.db2.gz TXFFESGINOQMDD-QWRGUYRKSA-N 1 1 277.393 2.536 20 30 CFEDMO CCC[N@@H+](CCC1OCCO1)Cc1ccc(C#N)cc1 ZINC000123795859 187109003 /nfs/dbraw/zinc/10/90/03/187109003.db2.gz KYIQFQJOQVIRQX-UHFFFAOYSA-N 1 1 274.364 2.533 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000123833243 187111074 /nfs/dbraw/zinc/11/10/74/187111074.db2.gz CVRMRDSOGOHDML-CJNGLKHVSA-N 1 1 288.391 2.692 20 30 CFEDMO C[C@@H]1C[C@@H](N(C)Cc2cn3ccccc3c2C#N)CC[N@H+]1C ZINC000123849960 187111824 /nfs/dbraw/zinc/11/18/24/187111824.db2.gz STVHHYATZIQVTM-ZBFHGGJFSA-N 1 1 296.418 2.725 20 30 CFEDMO COc1cc(C#N)ccc1OCCn1cc[nH+]c1C(C)C ZINC000123963706 187116604 /nfs/dbraw/zinc/11/66/04/187116604.db2.gz JNADKIXCIHPSQC-UHFFFAOYSA-N 1 1 285.347 2.966 20 30 CFEDMO C[C@@]1(C#N)CCC[N@@H+](CCCC2CCOCC2)C1 ZINC000613620650 351988347 /nfs/dbraw/zinc/98/83/47/351988347.db2.gz CWIAEBJGGYIQOV-HNNXBMFYSA-N 1 1 250.386 2.819 20 30 CFEDMO C=CCC1(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)CCCC1 ZINC000614107074 352046449 /nfs/dbraw/zinc/04/64/49/352046449.db2.gz RCMVCYHMPBDFLU-HUUCEWRRSA-N 1 1 294.414 2.768 20 30 CFEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@H]1CCOC1 ZINC000614169663 352055836 /nfs/dbraw/zinc/05/58/36/352055836.db2.gz JQXXSLCOKLWAKN-OAHLLOKOSA-N 1 1 272.392 2.956 20 30 CFEDMO C[N@H+](Cc1ccc(C(C)(C)C#N)cc1)C[C@@H](O)C1CC1 ZINC000614169691 352055905 /nfs/dbraw/zinc/05/59/05/352055905.db2.gz KYTQEZPSGZEYSE-MRXNPFEDSA-N 1 1 272.392 2.690 20 30 CFEDMO C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614167590 352056317 /nfs/dbraw/zinc/05/63/17/352056317.db2.gz USBNLADMRMHADO-MRXNPFEDSA-N 1 1 285.435 2.871 20 30 CFEDMO C[NH+](C)C[C@H]1CCN(Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000614167590 352056318 /nfs/dbraw/zinc/05/63/18/352056318.db2.gz USBNLADMRMHADO-MRXNPFEDSA-N 1 1 285.435 2.871 20 30 CFEDMO C[N@@H+](CCc1cnccn1)Cc1ccc(C(C)(C)C#N)cc1 ZINC000614176876 352057050 /nfs/dbraw/zinc/05/70/50/352057050.db2.gz RYDZJMWAVWVDAW-UHFFFAOYSA-N 1 1 294.402 2.952 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N1CCC[N@H+](C)C[C@@H]1CC ZINC000614329801 352080063 /nfs/dbraw/zinc/08/00/63/352080063.db2.gz IWJAFRFUXIHGIS-KBPBESRZSA-N 1 1 252.402 2.531 20 30 CFEDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3C)C2)[nH]1 ZINC000614402399 352090109 /nfs/dbraw/zinc/09/01/09/352090109.db2.gz DYVHFOUNKMIIRL-INIZCTEOSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3C)C2)n1 ZINC000614402399 352090113 /nfs/dbraw/zinc/09/01/13/352090113.db2.gz DYVHFOUNKMIIRL-INIZCTEOSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3C)C2)n1 ZINC000614402399 352090114 /nfs/dbraw/zinc/09/01/14/352090114.db2.gz DYVHFOUNKMIIRL-INIZCTEOSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(C#N)cc3C)C2)n[nH]1 ZINC000614402399 352090115 /nfs/dbraw/zinc/09/01/15/352090115.db2.gz DYVHFOUNKMIIRL-INIZCTEOSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(C#N)cc3C)C2)n[nH]1 ZINC000614402399 352090118 /nfs/dbraw/zinc/09/01/18/352090118.db2.gz DYVHFOUNKMIIRL-INIZCTEOSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000614403087 352090268 /nfs/dbraw/zinc/09/02/68/352090268.db2.gz AZYZQNOJPQGEMV-SJORKVTESA-N 1 1 270.376 2.725 20 30 CFEDMO C=CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271463786 191152224 /nfs/dbraw/zinc/15/22/24/191152224.db2.gz QDDPSKAVOMVEPH-UHFFFAOYSA-N 1 1 262.309 2.624 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000615468652 352196976 /nfs/dbraw/zinc/19/69/76/352196976.db2.gz PDAFGWIRYJBZKL-RVSPLBMKSA-N 1 1 272.392 2.848 20 30 CFEDMO Cc1ncc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)s1 ZINC000615092139 352152815 /nfs/dbraw/zinc/15/28/15/352152815.db2.gz BLHGPROEEMOJTD-SECBINFHSA-N 1 1 258.350 2.569 20 30 CFEDMO C[C@@H]1CN(c2cc(C#N)nc3ccccc32)[C@@H](C)C[N@H+]1C ZINC000615496128 352199045 /nfs/dbraw/zinc/19/90/45/352199045.db2.gz FIHPALUUAWHBER-OLZOCXBDSA-N 1 1 280.375 2.635 20 30 CFEDMO C=CCN(C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1ccccc1 ZINC000615002908 352141318 /nfs/dbraw/zinc/14/13/18/352141318.db2.gz STEXYYVNKMSEAR-OAHLLOKOSA-N 1 1 295.386 2.973 20 30 CFEDMO C#CCOc1ccccc1CN[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000271474332 191158158 /nfs/dbraw/zinc/15/81/58/191158158.db2.gz MJWPJEWRDDFNNT-RDJZCZTQSA-N 1 1 286.419 2.519 20 30 CFEDMO C[C@@]1(C#N)CCC[N@@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000616113940 352286091 /nfs/dbraw/zinc/28/60/91/352286091.db2.gz KSGOIAKPFHCYDE-CABCVRRESA-N 1 1 250.386 2.553 20 30 CFEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnc(CC)[nH]2)cc1 ZINC000271491268 191171688 /nfs/dbraw/zinc/17/16/88/191171688.db2.gz LAQICOXJCAAJBZ-OLZOCXBDSA-N 1 1 298.390 2.791 20 30 CFEDMO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000271500503 191175903 /nfs/dbraw/zinc/17/59/03/191175903.db2.gz JBVLCNDWISNNGV-MFKMUULPSA-N 1 1 289.379 2.970 20 30 CFEDMO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000271500503 191175905 /nfs/dbraw/zinc/17/59/05/191175905.db2.gz JBVLCNDWISNNGV-MFKMUULPSA-N 1 1 289.379 2.970 20 30 CFEDMO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000271500500 191176477 /nfs/dbraw/zinc/17/64/77/191176477.db2.gz JBVLCNDWISNNGV-GXFFZTMASA-N 1 1 289.379 2.970 20 30 CFEDMO CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000271500500 191176478 /nfs/dbraw/zinc/17/64/78/191176478.db2.gz JBVLCNDWISNNGV-GXFFZTMASA-N 1 1 289.379 2.970 20 30 CFEDMO Cc1ccnc(C[N@H+](C)Cc2cccc(C#N)c2)c1 ZINC000616745362 352427112 /nfs/dbraw/zinc/42/71/12/352427112.db2.gz ZCKUHFQHYIUZQO-UHFFFAOYSA-N 1 1 251.333 2.894 20 30 CFEDMO Cc1ccnc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000616745362 352427117 /nfs/dbraw/zinc/42/71/17/352427117.db2.gz ZCKUHFQHYIUZQO-UHFFFAOYSA-N 1 1 251.333 2.894 20 30 CFEDMO C=CC[N@H+](CCC(=O)Nc1cccc(OC)c1)C1CC1 ZINC000271545690 191203829 /nfs/dbraw/zinc/20/38/29/191203829.db2.gz ZMCBPHIVDPWMJQ-UHFFFAOYSA-N 1 1 274.364 2.674 20 30 CFEDMO C=C(Cl)C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000271546193 191205016 /nfs/dbraw/zinc/20/50/16/191205016.db2.gz VAQBRRDKABROHO-VIFPVBQESA-N 1 1 291.775 2.632 20 30 CFEDMO COCC[N@@H+](Cc1ccnc(C#N)c1)[C@@H]1CC[C@H](C)C1 ZINC000616873157 352435916 /nfs/dbraw/zinc/43/59/16/352435916.db2.gz VWWASMAVZIHZOH-XJKSGUPXSA-N 1 1 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CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000354119652 381091211 /nfs/dbraw/zinc/09/12/11/381091211.db2.gz JCHNVVCCIMGAKC-MSOLQXFVSA-N 1 1 299.418 2.780 20 30 CFEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)CC1(C)C ZINC000295835989 381105075 /nfs/dbraw/zinc/10/50/75/381105075.db2.gz CXWFJXBRKMFZEK-OAHLLOKOSA-N 1 1 276.355 2.944 20 30 CFEDMO C=C[C@H](CO)[NH2+][C@@H](C)c1ccccc1Br ZINC000289695960 381109315 /nfs/dbraw/zinc/10/93/15/381109315.db2.gz IITGJCUGNFCSRM-VHSXEESVSA-N 1 1 270.170 2.647 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cc1 ZINC000289701229 381110332 /nfs/dbraw/zinc/11/03/32/381110332.db2.gz NODMALMIIQOPLC-YOEHRIQHSA-N 1 1 257.377 2.793 20 30 CFEDMO C=CC[C@H](CC)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000341597858 381113916 /nfs/dbraw/zinc/11/39/16/381113916.db2.gz SOIVIAGVKPNAQB-AVOUXACISA-N 1 1 279.428 2.656 20 30 CFEDMO CCCC[N@@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182594213 381117371 /nfs/dbraw/zinc/11/73/71/381117371.db2.gz DLULIVSJGRIMPN-MRXNPFEDSA-N 1 1 285.391 2.786 20 30 CFEDMO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368801985 381138509 /nfs/dbraw/zinc/13/85/09/381138509.db2.gz IFMGACRQDSWTDH-CABCVRRESA-N 1 1 298.390 2.615 20 30 CFEDMO C#CC[N@@H+](CCCn1ccnc1)[C@H]1CCc2ccccc21 ZINC000182699519 381141105 /nfs/dbraw/zinc/14/11/05/381141105.db2.gz CBHIQIBLJULIKL-SFHVURJKSA-N 1 1 279.387 2.896 20 30 CFEDMO CCCc1ccc([C@@H](C)[N@H+](CCCC#N)CC(N)=O)cc1 ZINC000354217160 381146430 /nfs/dbraw/zinc/14/64/30/381146430.db2.gz LHSSIMILXRXFLB-CQSZACIVSA-N 1 1 287.407 2.791 20 30 CFEDMO CCCc1ccc([C@@H](C)[N@@H+](CCCC#N)CC(N)=O)cc1 ZINC000354217160 381146435 /nfs/dbraw/zinc/14/64/35/381146435.db2.gz LHSSIMILXRXFLB-CQSZACIVSA-N 1 1 287.407 2.791 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2ccc3occc3c2)C1=O ZINC000289789571 381159943 /nfs/dbraw/zinc/15/99/43/381159943.db2.gz RSYDAUZEFAVJDX-OAHLLOKOSA-N 1 1 284.359 2.652 20 30 CFEDMO C=CCC(C)(C)C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000354295829 381188836 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381257443 /nfs/dbraw/zinc/25/74/43/381257443.db2.gz BMZKNFVXHMBOOX-UHFFFAOYSA-N 1 1 277.364 2.636 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000369455923 381261997 /nfs/dbraw/zinc/26/19/97/381261997.db2.gz DVHJRIJAHADENB-CVEARBPZSA-N 1 1 256.349 2.702 20 30 CFEDMO CC(=O)NCC[C@H]1CCC[N@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000347629996 381263266 /nfs/dbraw/zinc/26/32/66/381263266.db2.gz ASOZWCHFMSONFG-RHSMWYFYSA-N 1 1 299.418 2.857 20 30 CFEDMO CC[C@H]([NH2+][C@H](C(N)=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000359041772 381229091 /nfs/dbraw/zinc/22/90/91/381229091.db2.gz YCLJDCSFJXEDFL-IRXDYDNUSA-N 1 1 293.370 2.826 20 30 CFEDMO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000359041771 381229929 /nfs/dbraw/zinc/22/99/29/381229929.db2.gz YCLJDCSFJXEDFL-IAGOWNOFSA-N 1 1 293.370 2.826 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000347578470 381233953 /nfs/dbraw/zinc/23/39/53/381233953.db2.gz HRJNKOCXFODFMH-ZNMIVQPWSA-N 1 1 266.429 2.777 20 30 CFEDMO C[C@@H]1CN(C(=O)Nc2ccc(C#N)cc2)CC[N@H+](C2CC2)C1 ZINC000296185231 381291002 /nfs/dbraw/zinc/29/10/02/381291002.db2.gz GYHSQICBNXFBKD-ZDUSSCGKSA-N 1 1 298.390 2.506 20 30 CFEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C2)c1 ZINC000290081081 381291409 /nfs/dbraw/zinc/29/14/09/381291409.db2.gz YYRYJSAOBVECCG-INIZCTEOSA-N 1 1 266.348 2.510 20 30 CFEDMO C=CC[N@H+](C[C@@H](CC)CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000183638213 381299169 /nfs/dbraw/zinc/29/91/69/381299169.db2.gz IIKBATLFSROXQJ-LSDHHAIUSA-N 1 1 287.469 2.878 20 30 CFEDMO C=CCCCCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000290160876 381323429 /nfs/dbraw/zinc/32/34/29/381323429.db2.gz WTRPXIMWHQAZQK-HNNXBMFYSA-N 1 1 289.423 2.959 20 30 CFEDMO C[C@H](C#N)C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000183824313 381326508 /nfs/dbraw/zinc/32/65/08/381326508.db2.gz YPIRHQIBOICODT-CQSZACIVSA-N 1 1 293.374 2.713 20 30 CFEDMO CC(C)c1ccc(C[NH2+]C[C@@H](C)C#N)cc1[N+](=O)[O-] ZINC000183827936 381326798 /nfs/dbraw/zinc/32/67/98/381326798.db2.gz 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C=CCOCCC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000348039098 381454072 /nfs/dbraw/zinc/45/40/72/381454072.db2.gz ULPVRUDWXJQAQZ-QGZVFWFLSA-N 1 1 273.376 2.711 20 30 CFEDMO C=CCOCCC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000348039290 381454157 /nfs/dbraw/zinc/45/41/57/381454157.db2.gz UIQNIUNSKPZKLR-HUUCEWRRSA-N 1 1 285.453 2.566 20 30 CFEDMO C=CCOCCC[N@@H+](CCc1nccs1)C(C)C ZINC000348037766 381454918 /nfs/dbraw/zinc/45/49/18/381454918.db2.gz BOSBVSMZCMJIBS-UHFFFAOYSA-N 1 1 268.426 2.989 20 30 CFEDMO C=CCOCCC[N@@H+]1CCO[C@@H](c2cccs2)C1 ZINC000348040341 381454929 /nfs/dbraw/zinc/45/49/29/381454929.db2.gz VGDUQONHXPYAFH-CYBMUJFWSA-N 1 1 267.394 2.714 20 30 CFEDMO C=CCOCCC[N@H+]1CCO[C@@H](c2cccs2)C1 ZINC000348040341 381454932 /nfs/dbraw/zinc/45/49/32/381454932.db2.gz VGDUQONHXPYAFH-CYBMUJFWSA-N 1 1 267.394 2.714 20 30 CFEDMO C=CCOCCC[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000348050356 381456116 /nfs/dbraw/zinc/45/61/16/381456116.db2.gz MIXCMDFNWJYTPK-QGZVFWFLSA-N 1 1 275.392 2.825 20 30 CFEDMO C=CCOCCC[NH2+]C1(C(=O)OC)CCC(CC)CC1 ZINC000348049715 381456894 /nfs/dbraw/zinc/45/68/94/381456894.db2.gz JDSVQMZKLZYAMI-UHFFFAOYSA-N 1 1 283.412 2.681 20 30 CFEDMO C=CCOCCC[N@H+](C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000348057803 381457789 /nfs/dbraw/zinc/45/77/89/381457789.db2.gz PPRKQUMMCWZSGX-HUUCEWRRSA-N 1 1 267.413 2.859 20 30 CFEDMO C=CCOCCC[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000348055210 381458568 /nfs/dbraw/zinc/45/85/68/381458568.db2.gz PGYRHMYCBCPMGG-KRWDZBQOSA-N 1 1 286.375 2.524 20 30 CFEDMO C=CCOCCC[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000348055210 381458574 /nfs/dbraw/zinc/45/85/74/381458574.db2.gz PGYRHMYCBCPMGG-KRWDZBQOSA-N 1 1 286.375 2.524 20 30 CFEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2c2cc[nH]n2)cc1 ZINC000348152448 381465812 /nfs/dbraw/zinc/46/58/12/381465812.db2.gz PTOZQZTWKKMILQ-MRXNPFEDSA-N 1 1 266.348 2.813 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N(CC)Cc1cccc(F)c1 ZINC000342727581 381504684 /nfs/dbraw/zinc/50/46/84/381504684.db2.gz VGGGPKFESCDECG-UHFFFAOYSA-N 1 1 278.371 2.682 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1C ZINC000342730434 381505768 /nfs/dbraw/zinc/50/57/68/381505768.db2.gz GUDSPVHKIYNTPB-LBPRGKRZSA-N 1 1 264.344 2.969 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C ZINC000342734056 381508064 /nfs/dbraw/zinc/50/80/64/381508064.db2.gz GNXDRARHXCDFJB-KGLIPLIRSA-N 1 1 272.392 2.861 20 30 CFEDMO C=CCC[N@H+](C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000342737974 381509490 /nfs/dbraw/zinc/50/94/90/381509490.db2.gz MMHFSHCRTGFKKM-UHFFFAOYSA-N 1 1 268.307 2.801 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N(CC(C)C)CC(F)(F)F ZINC000342760076 381521191 /nfs/dbraw/zinc/52/11/91/381521191.db2.gz DCBUSVYHSKUNOW-UHFFFAOYSA-N 1 1 280.334 2.541 20 30 CFEDMO CC[N@H+](CCc1cccc(F)c1F)C[C@H](C)C#N ZINC000342703964 381490161 /nfs/dbraw/zinc/49/01/61/381490161.db2.gz KKFWWYMWRQLGRT-LLVKDONJSA-N 1 1 252.308 2.989 20 30 CFEDMO CC[N@@H+](CCc1cccc(F)c1F)C[C@H](C)C#N ZINC000342703964 381490166 /nfs/dbraw/zinc/49/01/66/381490166.db2.gz KKFWWYMWRQLGRT-LLVKDONJSA-N 1 1 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CC[N@H+](Cc1ccc(C#N)c(OC)c1)C[C@H]1CCCO1 ZINC000233515227 382871755 /nfs/dbraw/zinc/87/17/55/382871755.db2.gz OBAKJVUDHYVPFU-OAHLLOKOSA-N 1 1 274.364 2.568 20 30 CFEDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC[C@@H](C#N)CCC#N)C1 ZINC000577860056 382873379 /nfs/dbraw/zinc/87/33/79/382873379.db2.gz OUHOHLKKSJXULR-HZPDHXFCSA-N 1 1 290.455 2.920 20 30 CFEDMO COc1cc(C[N@@H+](CCO)C2CCCCC2)ccc1C#N ZINC000234944072 382876164 /nfs/dbraw/zinc/87/61/64/382876164.db2.gz VBDMPSWICGYIRZ-UHFFFAOYSA-N 1 1 288.391 2.694 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C#N)c2C)[C@H](C)C1 ZINC000337949649 382877091 /nfs/dbraw/zinc/87/70/91/382877091.db2.gz NISNTCQWAWVXBL-CXAGYDPISA-N 1 1 299.418 2.669 20 30 CFEDMO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@H](c1ccccc1)N(C)C ZINC000578065062 382887129 /nfs/dbraw/zinc/88/71/29/382887129.db2.gz CVBQZFNVIIRXAP-ZMSDIMECSA-N 1 1 284.407 2.711 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)C/C(C)=C/c1ccccc1 ZINC000494268813 382911173 /nfs/dbraw/zinc/91/11/73/382911173.db2.gz 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20 30 CFEDMO C[N@@H+](CC(C)(C)CNC(=O)OC(C)(C)C)CC1(C#N)CC1 ZINC000494608535 382914887 /nfs/dbraw/zinc/91/48/87/382914887.db2.gz SDLLPXITACPYPY-UHFFFAOYSA-N 1 1 295.427 2.773 20 30 CFEDMO CN1CC[NH+](Cc2cccc(N[C@H]3CC[C@@H](C#N)C3)c2)CC1 ZINC000442874412 382962493 /nfs/dbraw/zinc/96/24/93/382962493.db2.gz NBLXXDHDUQIXPC-QAPCUYQASA-N 1 1 298.434 2.538 20 30 CFEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2cc(C#N)ncn2)C1 ZINC000578402090 382917531 /nfs/dbraw/zinc/91/75/31/382917531.db2.gz VTYXKMIPFAETIQ-DZGCQCFKSA-N 1 1 293.374 2.596 20 30 CFEDMO N#C[C@@H]1CC[C@H](Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000442867069 382962649 /nfs/dbraw/zinc/96/26/49/382962649.db2.gz NPTJVKVXJDEMKY-WBVHZDCISA-N 1 1 285.391 2.623 20 30 CFEDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000578519211 382928545 /nfs/dbraw/zinc/92/85/45/382928545.db2.gz SDWLUSPPRLKWEX-SFHVURJKSA-N 1 1 295.386 2.643 20 30 CFEDMO Cc1c(C#N)cccc1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000338141135 382931967 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C=CCCC[N@@H+]1C[C@H]2Oc3c(F)ccc(F)c3O[C@H]2C1 ZINC000425507769 383382822 /nfs/dbraw/zinc/38/28/22/383382822.db2.gz HZJUGYZQCAKGJM-BETUJISGSA-N 1 1 281.302 2.755 20 30 CFEDMO C=CCNC(=O)C[N@H+]1CC(C)(C)C[C@H]1c1ccccc1 ZINC000425534972 383383634 /nfs/dbraw/zinc/38/36/34/383383634.db2.gz BZZQJWAQAQHEAR-HNNXBMFYSA-N 1 1 272.392 2.762 20 30 CFEDMO C=CCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCC ZINC000425539522 383384173 /nfs/dbraw/zinc/38/41/73/383384173.db2.gz MVTUQEAEHVXMNK-MRXNPFEDSA-N 1 1 272.392 2.516 20 30 CFEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000425570697 383386156 /nfs/dbraw/zinc/38/61/56/383386156.db2.gz MRMATLUFAHOYGY-CHWSQXEVSA-N 1 1 252.402 2.530 20 30 CFEDMO C=C(C)C[NH+]1CCC(NCc2ccc3nccnc3c2)CC1 ZINC000634960217 383426724 /nfs/dbraw/zinc/42/67/24/383426724.db2.gz MBDJTSQTTBNAOF-UHFFFAOYSA-N 1 1 296.418 2.760 20 30 CFEDMO CC(C)OCCC[N@H+](C)Cc1cccc(F)c1C#N ZINC000428219098 383428339 /nfs/dbraw/zinc/42/83/39/383428339.db2.gz XIEBXBUYRBHLTI-UHFFFAOYSA-N 1 1 264.344 2.944 20 30 CFEDMO CC(C)OCCC[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428219098 383428342 /nfs/dbraw/zinc/42/83/42/383428342.db2.gz XIEBXBUYRBHLTI-UHFFFAOYSA-N 1 1 264.344 2.944 20 30 CFEDMO CCOC[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428230689 383431293 /nfs/dbraw/zinc/43/12/93/383431293.db2.gz SCFLQBZMRFFNEA-CYBMUJFWSA-N 1 1 276.355 2.946 20 30 CFEDMO CCOC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000428230689 383431299 /nfs/dbraw/zinc/43/12/99/383431299.db2.gz SCFLQBZMRFFNEA-CYBMUJFWSA-N 1 1 276.355 2.946 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccc(F)cc1C ZINC000487970111 383483676 /nfs/dbraw/zinc/48/36/76/383483676.db2.gz JNWLLROAERQOTA-OAHLLOKOSA-N 1 1 251.345 2.893 20 30 CFEDMO N#Cc1cccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1[N+](=O)[O-] ZINC000252854049 383436970 /nfs/dbraw/zinc/43/69/70/383436970.db2.gz KQHAJEYNLBYFLL-STQMWFEESA-N 1 1 286.335 2.505 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000253087352 383442481 /nfs/dbraw/zinc/44/24/81/383442481.db2.gz DBIHCAQGXPKMCT-ZACQAIPSSA-N 1 1 270.376 2.684 20 30 CFEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253094251 383444669 /nfs/dbraw/zinc/44/46/69/383444669.db2.gz NHYWRBQFIFHEIF-ZACQAIPSSA-N 1 1 270.376 2.684 20 30 CFEDMO C[C@]1(CCCO)CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428300443 383446096 /nfs/dbraw/zinc/44/60/96/383446096.db2.gz MIKHWOWENYXYBM-MRXNPFEDSA-N 1 1 276.355 2.824 20 30 CFEDMO N#Cc1c(F)cccc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000428300868 383446792 /nfs/dbraw/zinc/44/67/92/383446792.db2.gz NHAIVSZVMXDEBB-QGZVFWFLSA-N 1 1 284.334 2.911 20 30 CFEDMO C=CCC1(C(=O)N2C[C@@H](C)[N@H+](C)C[C@@H]2C)CCCC1 ZINC000450539673 383452331 /nfs/dbraw/zinc/45/23/31/383452331.db2.gz KSVVUOOKNOEIFY-KGLIPLIRSA-N 1 1 264.413 2.674 20 30 CFEDMO C=CCCCCC[N@H+]1CCC[C@@H]1C(=O)N1CCSCC1 ZINC000487871547 383482411 /nfs/dbraw/zinc/48/24/11/383482411.db2.gz AKJHMVVLWNNCFG-OAHLLOKOSA-N 1 1 296.480 2.773 20 30 CFEDMO Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)cc1 ZINC000527377183 383469449 /nfs/dbraw/zinc/46/94/49/383469449.db2.gz FGPPTDLOFLRZBC-INIZCTEOSA-N 1 1 297.402 2.694 20 30 CFEDMO C=CCN(Cc1cccs1)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000569119018 383469987 /nfs/dbraw/zinc/46/99/87/383469987.db2.gz YEDSFOWFQBCVQR-GFCCVEGCSA-N 1 1 289.404 2.865 20 30 CFEDMO CC(C)C[C@@H](CO)[N@@H+](C)Cc1cccc(F)c1C#N ZINC000428443484 383473974 /nfs/dbraw/zinc/47/39/74/383473974.db2.gz RURURSOZZZKLLS-ZDUSSCGKSA-N 1 1 264.344 2.536 20 30 CFEDMO CC(C)[C@@H]1CN(c2nc3c(cc2C#N)CCCC3)CC[N@H+]1C ZINC000487079764 383476955 /nfs/dbraw/zinc/47/69/55/383476955.db2.gz QTORIXJWSAJIFR-KRWDZBQOSA-N 1 1 298.434 2.608 20 30 CFEDMO CC(C)[N@@H+]1CCCC[C@H]1CN(C[C@@H](C)C#N)C1CC1 ZINC000450608079 383477273 /nfs/dbraw/zinc/47/72/73/383477273.db2.gz BQFLXGZXYCAZQB-HOCLYGCPSA-N 1 1 263.429 2.873 20 30 CFEDMO Cc1c(C#N)c(N(C)CC[N@@H+](C)C2CC2)nc2ccccc12 ZINC000450462350 383419969 /nfs/dbraw/zinc/41/99/69/383419969.db2.gz ZQGXPBWCSCTNSZ-UHFFFAOYSA-N 1 1 294.402 2.945 20 30 CFEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cccc(F)c1C#N ZINC000428484579 383484419 /nfs/dbraw/zinc/48/44/19/383484419.db2.gz SRHXKSYEFGIQCS-HSMVNMDESA-N 1 1 276.355 2.679 20 30 CFEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cccc(F)c1C#N ZINC000428484579 383484423 /nfs/dbraw/zinc/48/44/23/383484423.db2.gz SRHXKSYEFGIQCS-HSMVNMDESA-N 1 1 276.355 2.679 20 30 CFEDMO C[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2sccc2C#N)C1 ZINC000429579567 383549484 /nfs/dbraw/zinc/54/94/84/383549484.db2.gz RCGREUWCXQLGSJ-JQWIXIFHSA-N 1 1 277.393 2.679 20 30 CFEDMO Cc1cc(C[NH2+][C@H](CCO)c2ccco2)ccc1C#N ZINC000488004381 383487790 /nfs/dbraw/zinc/48/77/90/383487790.db2.gz AHYCSMLZBDCSCT-OAHLLOKOSA-N 1 1 270.332 2.673 20 30 CFEDMO CCOC(=O)CC[N@@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000488042647 383491030 /nfs/dbraw/zinc/49/10/30/383491030.db2.gz OTNMHKJYQWRVJZ-UHFFFAOYSA-N 1 1 288.391 2.873 20 30 CFEDMO Cc1cc(CN2CCN(C)c3[nH+]cccc32)ccc1C#N ZINC000488104322 383496924 /nfs/dbraw/zinc/49/69/24/383496924.db2.gz UIWSZMFGRMDDHP-UHFFFAOYSA-N 1 1 278.359 2.718 20 30 CFEDMO CC(C)(CCC#N)CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000340899197 383498322 /nfs/dbraw/zinc/49/83/22/383498322.db2.gz NPSVXPABBYVTNP-UHFFFAOYSA-N 1 1 287.411 2.631 20 30 CFEDMO C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2ccc(CC#N)cc2)C[C@@H](C)C1 ZINC000429009868 383503306 /nfs/dbraw/zinc/50/33/06/383503306.db2.gz POPDCRPFPZRTIJ-GJYPPUQNSA-N 1 1 297.446 2.915 20 30 CFEDMO C[C@H]1C[C@@H]1N1CC[N@H+](Cc2ccc(CC#N)cc2)C[C@@H](C)C1 ZINC000429009868 383503310 /nfs/dbraw/zinc/50/33/10/383503310.db2.gz POPDCRPFPZRTIJ-GJYPPUQNSA-N 1 1 297.446 2.915 20 30 CFEDMO C[C@H]1C[C@@H]1N1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H](C)C1 ZINC000429009868 383503312 /nfs/dbraw/zinc/50/33/12/383503312.db2.gz POPDCRPFPZRTIJ-GJYPPUQNSA-N 1 1 297.446 2.915 20 30 CFEDMO C=CCOCCC[N@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000429025575 383503749 /nfs/dbraw/zinc/50/37/49/383503749.db2.gz BTGXFBPTRQOVPZ-SJORKVTESA-N 1 1 270.376 2.818 20 30 CFEDMO C=CCOCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C#N)C1 ZINC000429025575 383503751 /nfs/dbraw/zinc/50/37/51/383503751.db2.gz BTGXFBPTRQOVPZ-SJORKVTESA-N 1 1 270.376 2.818 20 30 CFEDMO Cc1cc(C[N@H+]2CCOCC3(CCC3)C2)ccc1C#N ZINC000488260925 383509782 /nfs/dbraw/zinc/50/97/82/383509782.db2.gz IVIPGOVFXWFYLL-UHFFFAOYSA-N 1 1 270.376 2.869 20 30 CFEDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1cccc(F)c1C#N ZINC000488291501 383513503 /nfs/dbraw/zinc/51/35/03/383513503.db2.gz YCNHINODWIBNQA-SNVBAGLBSA-N 1 1 259.284 2.568 20 30 CFEDMO CC[C@H]1C[N@@H+](CC)CCN1c1cccc(F)c1C#N ZINC000450835115 383514125 /nfs/dbraw/zinc/51/41/25/383514125.db2.gz WIHBBXHQHPXDFD-LBPRGKRZSA-N 1 1 261.344 2.618 20 30 CFEDMO C=CC[N@@H+](C[C@@H]1C[C@H]1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000488300353 383514519 /nfs/dbraw/zinc/51/45/19/383514519.db2.gz UKQGVWRVQYCAIL-YCPHGPKFSA-N 1 1 297.406 2.867 20 30 CFEDMO Cc1cc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)ccc1C#N ZINC000488329807 383523145 /nfs/dbraw/zinc/52/31/45/383523145.db2.gz PFHPEHOQWVQUNE-IAGOWNOFSA-N 1 1 272.392 2.850 20 30 CFEDMO C=C(C)C[NH+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000429375741 383526109 /nfs/dbraw/zinc/52/61/09/383526109.db2.gz CCSZERPEBDRLFM-CHWSQXEVSA-N 1 1 252.402 2.530 20 30 CFEDMO C=CCC[N@@H+]1[C@H](C)CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000429392385 383527353 /nfs/dbraw/zinc/52/73/53/383527353.db2.gz FTJGVCOFTOQCEL-BETUJISGSA-N 1 1 252.402 2.530 20 30 CFEDMO CCC(C)(C)[C@H]1CCC[N@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000528420438 383527957 /nfs/dbraw/zinc/52/79/57/383527957.db2.gz KIWPHZNTHSQYFF-UONOGXRCSA-N 1 1 264.413 2.942 20 30 CFEDMO C=CCCC[C@H](C)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000429547428 383542108 /nfs/dbraw/zinc/54/21/08/383542108.db2.gz MAWOOVIXTJMIOP-AWEZNQCLSA-N 1 1 266.429 2.969 20 30 CFEDMO C=CCC(C)(C)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000429835398 383572262 /nfs/dbraw/zinc/57/22/62/383572262.db2.gz ARLGQLACCUIRJI-KBPBESRZSA-N 1 1 266.429 2.825 20 30 CFEDMO N#CCC1(C[NH2+]Cc2ccn(-c3ccccc3)n2)CC1 ZINC000430039098 383585881 /nfs/dbraw/zinc/58/58/81/383585881.db2.gz LQMZCIAZCOVYOP-UHFFFAOYSA-N 1 1 266.348 2.656 20 30 CFEDMO COC(=O)[C@@H](C)[N@H+](Cc1ccc(C#N)c(C)c1)C1CCC1 ZINC000489035590 383592168 /nfs/dbraw/zinc/59/21/68/383592168.db2.gz FMZMJDUZFICGCW-CYBMUJFWSA-N 1 1 286.375 2.783 20 30 CFEDMO COC(=O)[C@@H](C)[N@@H+](Cc1ccc(C#N)c(C)c1)C1CCC1 ZINC000489035590 383592170 /nfs/dbraw/zinc/59/21/70/383592170.db2.gz FMZMJDUZFICGCW-CYBMUJFWSA-N 1 1 286.375 2.783 20 30 CFEDMO C=C(C)[C@H]1OCC[C@@H]1CNc1cc[nH+]cc1C(=O)OCC ZINC000280835775 194995439 /nfs/dbraw/zinc/99/54/39/194995439.db2.gz WUWAAQLWNBSJRN-IUODEOHRSA-N 1 1 290.363 2.651 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cncn2)c(F)c1 ZINC000570459511 383606041 /nfs/dbraw/zinc/60/60/41/383606041.db2.gz PICGXPCCPJNQJW-AWEZNQCLSA-N 1 1 286.354 2.947 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)C1 ZINC000429692444 383558648 /nfs/dbraw/zinc/55/86/48/383558648.db2.gz SOAWUFHVQJTOJN-KYJSFNMBSA-N 1 1 282.387 2.853 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@]3(CCc4ccccc43)C2)C1 ZINC000429692444 383558653 /nfs/dbraw/zinc/55/86/53/383558653.db2.gz SOAWUFHVQJTOJN-KYJSFNMBSA-N 1 1 282.387 2.853 20 30 CFEDMO C=CCCCCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000569987069 383559547 /nfs/dbraw/zinc/55/95/47/383559547.db2.gz OMDHUOMIUXXKSA-AWEZNQCLSA-N 1 1 275.396 2.617 20 30 CFEDMO Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CC1(C#N)CC1 ZINC000570026039 383561571 /nfs/dbraw/zinc/56/15/71/383561571.db2.gz PFVDOYMOMBSBEF-UHFFFAOYSA-N 1 1 260.385 2.648 20 30 CFEDMO C[C@@H]1C[C@H]1[N@H+]1CCN(c2cccc(F)c2C#N)C[C@@H](C)C1 ZINC000488719428 383569120 /nfs/dbraw/zinc/56/91/20/383569120.db2.gz YERCDNDOWWPFMB-PBFPGSCMSA-N 1 1 287.382 2.864 20 30 CFEDMO Cc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)on1 ZINC000528786112 383637026 /nfs/dbraw/zinc/63/70/26/383637026.db2.gz VPDYQMUHDSZAQC-UHFFFAOYSA-N 1 1 297.358 2.650 20 30 CFEDMO CCO[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)C[C@H]1C ZINC000451538365 383638747 /nfs/dbraw/zinc/63/87/47/383638747.db2.gz JEEPNRBJKYOXJM-WBMJQRKESA-N 1 1 276.355 2.944 20 30 CFEDMO CCO[C@H]1CC[N@@H+](Cc2cccc(F)c2C#N)C[C@H]1C ZINC000451538365 383638752 /nfs/dbraw/zinc/63/87/52/383638752.db2.gz JEEPNRBJKYOXJM-WBMJQRKESA-N 1 1 276.355 2.944 20 30 CFEDMO CO[C@@H]1CC[N@H+]([C@H](C)c2cccc(C#N)c2)C[C@@H]1C ZINC000451574158 383650013 /nfs/dbraw/zinc/65/00/13/383650013.db2.gz RGOBMEANWJCCSK-WOSRLPQWSA-N 1 1 258.365 2.976 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C)c1 ZINC000489500514 383625261 /nfs/dbraw/zinc/62/52/61/383625261.db2.gz VAKPUYQSMBBLDL-OAHLLOKOSA-N 1 1 258.365 2.974 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(C)c1 ZINC000489500514 383625264 /nfs/dbraw/zinc/62/52/64/383625264.db2.gz VAKPUYQSMBBLDL-OAHLLOKOSA-N 1 1 258.365 2.974 20 30 CFEDMO C=CCOc1ccc(CN2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000570695264 383626455 /nfs/dbraw/zinc/62/64/55/383626455.db2.gz RAWRWMHCYCPTAO-HIFRSBDPSA-N 1 1 260.381 2.563 20 30 CFEDMO CCCC[N@@H+](C)CCNC(=O)Nc1scc(C)c1C#N ZINC000570736146 383630596 /nfs/dbraw/zinc/63/05/96/383630596.db2.gz IEWRAYPUZJEADR-UHFFFAOYSA-N 1 1 294.424 2.782 20 30 CFEDMO C=C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC000635868376 383657769 /nfs/dbraw/zinc/65/77/69/383657769.db2.gz YCHSVHLSVHQGQK-ZDUSSCGKSA-N 1 1 261.369 2.574 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000570797744 383636142 /nfs/dbraw/zinc/63/61/42/383636142.db2.gz FCBLICRRNKIIRT-ZIAGYGMSSA-N 1 1 250.386 2.817 20 30 CFEDMO C[N@H+](CCCC(=O)OC(C)(C)C)CC(C)(C)C#N ZINC000433321500 383760229 /nfs/dbraw/zinc/76/02/29/383760229.db2.gz VKUZIHMRZUVBKB-UHFFFAOYSA-N 1 1 254.374 2.590 20 30 CFEDMO C[N@@H+](CCCC(=O)OC(C)(C)C)CC(C)(C)C#N ZINC000433321500 383760236 /nfs/dbraw/zinc/76/02/36/383760236.db2.gz VKUZIHMRZUVBKB-UHFFFAOYSA-N 1 1 254.374 2.590 20 30 CFEDMO Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433313618 383760271 /nfs/dbraw/zinc/76/02/71/383760271.db2.gz REQNEORZHQDVBE-OAHLLOKOSA-N 1 1 290.407 2.525 20 30 CFEDMO Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)CC(C)(C)C#N)c1 ZINC000433313618 383760279 /nfs/dbraw/zinc/76/02/79/383760279.db2.gz REQNEORZHQDVBE-OAHLLOKOSA-N 1 1 290.407 2.525 20 30 CFEDMO COC(=O)C[N@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000530628047 383779464 /nfs/dbraw/zinc/77/94/64/383779464.db2.gz BEQLDPYEDRHXKC-UHFFFAOYSA-N 1 1 288.391 2.992 20 30 CFEDMO COC(=O)C[N@@H+](CCCC(C)(C)C#N)Cc1ccccc1 ZINC000530628047 383779468 /nfs/dbraw/zinc/77/94/68/383779468.db2.gz BEQLDPYEDRHXKC-UHFFFAOYSA-N 1 1 288.391 2.992 20 30 CFEDMO Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000433313107 383760758 /nfs/dbraw/zinc/76/07/58/383760758.db2.gz OVKJRQCIPAZFEE-HNNXBMFYSA-N 1 1 290.407 2.525 20 30 CFEDMO Cc1cc(C)cc(OC[C@@H](O)C[N@H+](C)CC(C)(C)C#N)c1 ZINC000433313107 383760761 /nfs/dbraw/zinc/76/07/61/383760761.db2.gz OVKJRQCIPAZFEE-HNNXBMFYSA-N 1 1 290.407 2.525 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000572213025 383763054 /nfs/dbraw/zinc/76/30/54/383763054.db2.gz FAURGLZIGFHZJF-GFCCVEGCSA-N 1 1 290.367 2.999 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000530026312 383764052 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CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000178514852 394388685 /nfs/dbraw/zinc/38/86/85/394388685.db2.gz KFZSAJQWXULOBP-MRXNPFEDSA-N 1 1 299.418 2.588 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000178511914 394388863 /nfs/dbraw/zinc/38/88/63/394388863.db2.gz MTYGRKIYKKGPSK-CYBMUJFWSA-N 1 1 258.365 2.708 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2C(C)(C)C#N)CCO1 ZINC000178511914 394388865 /nfs/dbraw/zinc/38/88/65/394388865.db2.gz MTYGRKIYKKGPSK-CYBMUJFWSA-N 1 1 258.365 2.708 20 30 CFEDMO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1C(C)(C)C#N ZINC000178513955 394389150 /nfs/dbraw/zinc/38/91/50/394389150.db2.gz CHDUWSDAVGGXFT-HNNXBMFYSA-N 1 1 286.375 2.625 20 30 CFEDMO COC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000178513955 394389154 /nfs/dbraw/zinc/38/91/54/394389154.db2.gz CHDUWSDAVGGXFT-HNNXBMFYSA-N 1 1 286.375 2.625 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000525954280 542923056 /nfs/dbraw/zinc/92/30/56/542923056.db2.gz 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N#CCC[C@H](C#N)C[NH+]1CCC([C@H]2CCCOC2)CC1 ZINC000371637424 262002846 /nfs/dbraw/zinc/00/28/46/262002846.db2.gz IVJFHKKYIKODKD-ZBFHGGJFSA-N 1 1 275.396 2.569 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000184081434 262007221 /nfs/dbraw/zinc/00/72/21/262007221.db2.gz XZSGUWZNKWQNOL-AWEZNQCLSA-N 1 1 284.363 2.867 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000184087619 262008367 /nfs/dbraw/zinc/00/83/67/262008367.db2.gz TZUFLBMNTQUDGS-AWEZNQCLSA-N 1 1 272.327 2.998 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000184092603 262008788 /nfs/dbraw/zinc/00/87/88/262008788.db2.gz YZEBJEAZWWONPN-INIZCTEOSA-N 1 1 293.374 2.741 20 30 CFEDMO N#CCCN(C(=O)C[N@@H+]1CCCC2(CC2)C1)c1ccccc1 ZINC000186996291 262119838 /nfs/dbraw/zinc/11/98/38/262119838.db2.gz KQMXSQPKOIJTKJ-UHFFFAOYSA-N 1 1 297.402 2.809 20 30 CFEDMO N#CCCN(C(=O)C[N@H+]1CCCC2(CC2)C1)c1ccccc1 ZINC000186996291 262119841 /nfs/dbraw/zinc/11/98/41/262119841.db2.gz KQMXSQPKOIJTKJ-UHFFFAOYSA-N 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/nfs/dbraw/zinc/25/55/05/262255505.db2.gz KVWAYCLEHFXOIE-SJORKVTESA-N 1 1 280.456 2.654 20 30 CFEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CCCC2(CCCCC2)C1 ZINC000111323666 262259687 /nfs/dbraw/zinc/25/96/87/262259687.db2.gz ZUWFAJWWTNOZNI-HNNXBMFYSA-N 1 1 291.439 2.793 20 30 CFEDMO C[C@H](C#N)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000364877003 262263655 /nfs/dbraw/zinc/26/36/55/262263655.db2.gz DQLWSDJRVBOONT-MRXNPFEDSA-N 1 1 283.419 2.887 20 30 CFEDMO C#CCC1(C(=O)N2CCC[N@H+](CCC)CC2)CCCCC1 ZINC000364945317 262265199 /nfs/dbraw/zinc/26/51/99/262265199.db2.gz CJNGUDAKDLOIBR-UHFFFAOYSA-N 1 1 290.451 2.905 20 30 CFEDMO C#CCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000368827225 262266516 /nfs/dbraw/zinc/26/65/16/262266516.db2.gz VGAJAVQKYNQFTA-ZNMIVQPWSA-N 1 1 292.423 2.635 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000121103671 262268539 /nfs/dbraw/zinc/26/85/39/262268539.db2.gz DVSQXJXWNFGUKC-ZDUSSCGKSA-N 1 1 278.371 2.901 20 30 CFEDMO C=CCCO[NH+]=C(N)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496048172 262337896 /nfs/dbraw/zinc/33/78/96/262337896.db2.gz WUZOFNYCHOWUQE-UHFFFAOYSA-N 1 1 297.399 2.708 20 30 CFEDMO C[C@@H](C#N)C[N@H+](Cc1cccc2c[nH]nc21)C1CC1 ZINC000354035113 262351392 /nfs/dbraw/zinc/35/13/92/262351392.db2.gz VZUYOGMVHOBHRG-NSHDSACASA-N 1 1 254.337 2.687 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](Cc1cccc2c[nH]nc21)C1CC1 ZINC000354035113 262351393 /nfs/dbraw/zinc/35/13/93/262351393.db2.gz VZUYOGMVHOBHRG-NSHDSACASA-N 1 1 254.337 2.687 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CCCC12CCOCC2 ZINC000365256841 262355528 /nfs/dbraw/zinc/35/55/28/262355528.db2.gz PCPHCXKTENFUDR-UHFFFAOYSA-N 1 1 255.361 2.683 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000365278427 262357439 /nfs/dbraw/zinc/35/74/39/262357439.db2.gz VYYLIOJCOVOQJC-IBGZPJMESA-N 1 1 276.383 2.998 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC000117875678 262358668 /nfs/dbraw/zinc/35/86/68/262358668.db2.gz DZTXUPJEBSQIOK-CABCVRRESA-N 1 1 266.429 2.969 20 30 CFEDMO CC(C)(C)OC(=O)N1CC[C@@H]2CC[N@@H+](CCCC#N)C[C@H]21 ZINC000365408451 262364275 /nfs/dbraw/zinc/36/42/75/262364275.db2.gz HUUWGQRWKLLAOV-UONOGXRCSA-N 1 1 293.411 2.621 20 30 CFEDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[N@@H+](CCCC#N)C[C@@H]21 ZINC000365408449 262364307 /nfs/dbraw/zinc/36/43/07/262364307.db2.gz HUUWGQRWKLLAOV-KGLIPLIRSA-N 1 1 293.411 2.621 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000365430043 262364942 /nfs/dbraw/zinc/36/49/42/262364942.db2.gz DOTXJCXOEBUORM-MRXNPFEDSA-N 1 1 293.455 2.503 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)CCC(C)(C)C#N)C[C@@H]1C ZINC000336693817 262380136 /nfs/dbraw/zinc/38/01/36/262380136.db2.gz BUSQTSKOZINOAH-KBPBESRZSA-N 1 1 251.418 2.731 20 30 CFEDMO CCN1CC[C@H]([N@H+](C)CCC(C)(C)C#N)C[C@@H]1C ZINC000336693817 262380143 /nfs/dbraw/zinc/38/01/43/262380143.db2.gz BUSQTSKOZINOAH-KBPBESRZSA-N 1 1 251.418 2.731 20 30 CFEDMO CCN1CC[C@H]([N@@H+](C)CCC(C)(C)C#N)C[C@@H]1C ZINC000336693817 262380145 /nfs/dbraw/zinc/38/01/45/262380145.db2.gz BUSQTSKOZINOAH-KBPBESRZSA-N 1 1 251.418 2.731 20 30 CFEDMO C[C@H](O)[C@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000336784797 262394681 /nfs/dbraw/zinc/39/46/81/262394681.db2.gz XOTXBMDYMSISEG-UONOGXRCSA-N 1 1 252.402 2.942 20 30 CFEDMO CS[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@@H]1N(C)C ZINC000336806112 262395660 /nfs/dbraw/zinc/39/56/60/262395660.db2.gz GUGAMTCXWBGXQV-KBPBESRZSA-N 1 1 283.485 2.684 20 30 CFEDMO CS[C@H]1CN(CCCCC(C)(C)C#N)C[C@@H]1[NH+](C)C ZINC000336806112 262395661 /nfs/dbraw/zinc/39/56/61/262395661.db2.gz GUGAMTCXWBGXQV-KBPBESRZSA-N 1 1 283.485 2.684 20 30 CFEDMO C[C@H](O)CCC[N@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336829263 262398615 /nfs/dbraw/zinc/39/86/15/262398615.db2.gz CBNQIMIDDMYQTG-USXIJHARSA-N 1 1 272.392 2.919 20 30 CFEDMO CN(C)c1cccc([C@H]2CCC[N@H+]2CCOCCC#N)c1 ZINC000339006186 262580146 /nfs/dbraw/zinc/58/01/46/262580146.db2.gz WSVZDOXYXSXRSG-QGZVFWFLSA-N 1 1 287.407 2.820 20 30 CFEDMO CCS[C@@H]1CC[C@H]([N@@H+](C)CCOCCC#N)C1 ZINC000339013175 262582788 /nfs/dbraw/zinc/58/27/88/262582788.db2.gz MADZXTCPRFEYFW-QWHCGFSZSA-N 1 1 256.415 2.523 20 30 CFEDMO N#CC1(CC[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CCCCC1 ZINC000411507219 262696486 /nfs/dbraw/zinc/69/64/86/262696486.db2.gz RHHVJOUTGJKHJA-ZNMIVQPWSA-N 1 1 262.397 2.553 20 30 CFEDMO C[C@@H]1CN(C[C@@H](C#N)CCC#N)CC[N@H+]1Cc1ccccc1 ZINC000411978769 262711731 /nfs/dbraw/zinc/71/17/31/262711731.db2.gz BVQPHIDVYIGCQN-SJLPKXTDSA-N 1 1 296.418 2.636 20 30 CFEDMO COC(=O)c1ccc([C@@H](C)[NH+]2CCC(C)(C#N)CC2)o1 ZINC000272572615 263006848 /nfs/dbraw/zinc/00/68/48/263006848.db2.gz NGSRLKNTQLLZNK-LLVKDONJSA-N 1 1 276.336 2.753 20 30 CFEDMO Cc1ccc(N2CC[C@H]([NH+]3CCC(C)(C#N)CC3)C2=O)cc1 ZINC000272577544 263007128 /nfs/dbraw/zinc/00/71/28/263007128.db2.gz NWLKPENOIGZEEB-INIZCTEOSA-N 1 1 297.402 2.726 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000273850540 263019986 /nfs/dbraw/zinc/01/99/86/263019986.db2.gz JSHUJZZFWQIEIL-NSHDSACASA-N 1 1 262.744 2.770 20 30 CFEDMO Cc1nnc([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)s1 ZINC000274220689 263022080 /nfs/dbraw/zinc/02/20/80/263022080.db2.gz PQRRSCXJIDZCPO-GDPRMGEGSA-N 1 1 250.371 2.580 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000276288092 263035548 /nfs/dbraw/zinc/03/55/48/263035548.db2.gz HEFYCFNHYHXMDM-CYBMUJFWSA-N 1 1 291.420 2.588 20 30 CFEDMO CN(C)c1cccc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000278521715 263048735 /nfs/dbraw/zinc/04/87/35/263048735.db2.gz CPIHGNZWICVJNZ-CZUORRHYSA-N 1 1 257.381 2.877 20 30 CFEDMO Cc1ccccc1CN1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000278773740 263050934 /nfs/dbraw/zinc/05/09/34/263050934.db2.gz YYHSVINTPUCRNK-SJLPKXTDSA-N 1 1 283.419 2.805 20 30 CFEDMO C=CCOc1ccc(C[NH2+][C@@H](CN)C2CC2)cc1Cl ZINC000414813026 263053446 /nfs/dbraw/zinc/05/34/46/263053446.db2.gz YCEIYCOYWGZNKD-AWEZNQCLSA-N 1 1 280.799 2.732 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H](C2CC2)O1 ZINC000279267394 263054254 /nfs/dbraw/zinc/05/42/54/263054254.db2.gz IWBHLTAJCRSIED-SUMWQHHRSA-N 1 1 286.375 2.588 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H](C2CC2)O1 ZINC000279267392 263054441 /nfs/dbraw/zinc/05/44/41/263054441.db2.gz IWBHLTAJCRSIED-GUYCJALGSA-N 1 1 286.375 2.588 20 30 CFEDMO CC(C)(C#N)CC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000279367912 263055177 /nfs/dbraw/zinc/05/51/77/263055177.db2.gz WVHUXTKMWJFYBF-UHFFFAOYSA-N 1 1 299.418 2.661 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)c1cccs1 ZINC000280278410 263060206 /nfs/dbraw/zinc/06/02/06/263060206.db2.gz LLFQZKPGLUTDJB-IUODEOHRSA-N 1 1 293.436 2.795 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1cccs1 ZINC000280278410 263060207 /nfs/dbraw/zinc/06/02/07/263060207.db2.gz LLFQZKPGLUTDJB-IUODEOHRSA-N 1 1 293.436 2.795 20 30 CFEDMO CC1=C(C)C[N@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000280486520 263062142 /nfs/dbraw/zinc/06/21/42/263062142.db2.gz ATUDSJMHKKJYTH-UHFFFAOYSA-N 1 1 297.402 2.975 20 30 CFEDMO CC1=C(C)C[N@@H+](CC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000280486520 263062143 /nfs/dbraw/zinc/06/21/43/263062143.db2.gz ATUDSJMHKKJYTH-UHFFFAOYSA-N 1 1 297.402 2.975 20 30 CFEDMO NC(=[NH+]OCc1cncc(F)c1)C1CCCCC1 ZINC000280926855 263065072 /nfs/dbraw/zinc/06/50/72/263065072.db2.gz HVXJXLXXWZWXIL-UHFFFAOYSA-N 1 1 251.305 2.590 20 30 CFEDMO Cc1nnc([C@@H]2CCCC[N@@H+]2CCCC(C)(C)C#N)[nH]1 ZINC000366603177 263069707 /nfs/dbraw/zinc/06/97/07/263069707.db2.gz KRRGMKMZYCVGBC-ZDUSSCGKSA-N 1 1 275.400 2.970 20 30 CFEDMO Cc1nnc([C@@H]2CCCC[N@H+]2CCCC(C)(C)C#N)[nH]1 ZINC000366603177 263069708 /nfs/dbraw/zinc/06/97/08/263069708.db2.gz KRRGMKMZYCVGBC-ZDUSSCGKSA-N 1 1 275.400 2.970 20 30 CFEDMO C[NH+](C)[C@@H](C(=O)NCC1CCC(C#N)CC1)c1ccccc1 ZINC000282222659 263075231 /nfs/dbraw/zinc/07/52/31/263075231.db2.gz IBDMFRLLLBYITE-VMBOVVBDSA-N 1 1 299.418 2.735 20 30 CFEDMO COc1cc(C[N@@H+]2CCO[C@@H](C(C)(C)C)C2)ccc1C#N ZINC000282434562 263076502 /nfs/dbraw/zinc/07/65/02/263076502.db2.gz UCOHWGGYSAVPLL-MRXNPFEDSA-N 1 1 288.391 2.814 20 30 CFEDMO COc1cc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)ccc1C#N ZINC000282434562 263076503 /nfs/dbraw/zinc/07/65/03/263076503.db2.gz UCOHWGGYSAVPLL-MRXNPFEDSA-N 1 1 288.391 2.814 20 30 CFEDMO Cc1cc([C@H](C)[NH2+]Cc2ccc(OCC#N)cc2)no1 ZINC000282831471 263079063 /nfs/dbraw/zinc/07/90/63/263079063.db2.gz SFZMFMQVXNAOLX-LBPRGKRZSA-N 1 1 271.320 2.736 20 30 CFEDMO CC[C@](C)(C#N)C(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000284983669 263088960 /nfs/dbraw/zinc/08/89/60/263088960.db2.gz MFSNJKFJHQLQOZ-GOSISDBHSA-N 1 1 299.418 2.579 20 30 CFEDMO C=CCCC[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340205631 263092789 /nfs/dbraw/zinc/09/27/89/263092789.db2.gz ZZCKWXKOXNNXMU-WDEREUQCSA-N 1 1 251.292 2.730 20 30 CFEDMO C=CCN(C)CC[N@H+](CC)Cc1cccc(COC)c1 ZINC000340204867 263093012 /nfs/dbraw/zinc/09/30/12/263093012.db2.gz VVZKZDGQRSFOOD-UHFFFAOYSA-N 1 1 276.424 2.773 20 30 CFEDMO C=CC[N@@H+](C)CCN(CC)Cc1cccc(COC)c1 ZINC000340204867 263093013 /nfs/dbraw/zinc/09/30/13/263093013.db2.gz VVZKZDGQRSFOOD-UHFFFAOYSA-N 1 1 276.424 2.773 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)Cc1cccc(COC)c1 ZINC000340204867 263093014 /nfs/dbraw/zinc/09/30/14/263093014.db2.gz VVZKZDGQRSFOOD-UHFFFAOYSA-N 1 1 276.424 2.773 20 30 CFEDMO C[N@@H+](CC#Cc1ccccc1Cl)CC1(O)CCC1 ZINC000353493222 263098314 /nfs/dbraw/zinc/09/83/14/263098314.db2.gz WIWJRNNFZSGNKA-UHFFFAOYSA-N 1 1 263.768 2.538 20 30 CFEDMO CC[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@]2(CCCOC2)O1 ZINC000369553561 263101464 /nfs/dbraw/zinc/10/14/64/263101464.db2.gz VFCBPCHSBZDBTN-MOPGFXCFSA-N 1 1 299.414 2.698 20 30 CFEDMO CC[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@]2(CCCOC2)O1 ZINC000369553561 263101465 /nfs/dbraw/zinc/10/14/65/263101465.db2.gz VFCBPCHSBZDBTN-MOPGFXCFSA-N 1 1 299.414 2.698 20 30 CFEDMO CC(C)CCC(N)=[NH+]OCc1cc(Br)no1 ZINC000292126982 263128710 /nfs/dbraw/zinc/12/87/10/263128710.db2.gz SAAFCIXOTOMIMG-UHFFFAOYSA-N 1 1 290.161 2.662 20 30 CFEDMO C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CCOCCC#N ZINC000292777934 263135189 /nfs/dbraw/zinc/13/51/89/263135189.db2.gz KHDKDHWYGKYDTD-HOCLYGCPSA-N 1 1 258.365 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/nfs/dbraw/zinc/36/64/53/267366453.db2.gz XJCFVZAKFGFFMP-UHFFFAOYSA-N 1 1 280.169 2.628 20 30 CFEDMO N#CCSCCCN1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371208531 267372557 /nfs/dbraw/zinc/37/25/57/267372557.db2.gz OYVRKUGXZDORDZ-MRXNPFEDSA-N 1 1 295.496 2.831 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000372155273 267522779 /nfs/dbraw/zinc/52/27/79/267522779.db2.gz JVTOXEDOBRWWHC-KBPBESRZSA-N 1 1 250.386 2.675 20 30 CFEDMO C=CCCC[N@@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000375163325 267837038 /nfs/dbraw/zinc/83/70/38/267837038.db2.gz YDXSWJDJGDWMSK-CQSZACIVSA-N 1 1 264.369 2.849 20 30 CFEDMO C=CCCCCC[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000376052236 267933955 /nfs/dbraw/zinc/93/39/55/267933955.db2.gz FUXIMWOTDWYGEW-GJZGRUSLSA-N 1 1 264.413 2.723 20 30 CFEDMO C=CC[N@H+](CCCF)Cc1cccc([N+](=O)[O-])c1 ZINC000123148022 268002676 /nfs/dbraw/zinc/00/26/76/268002676.db2.gz QKSAVOIJPDLAIP-UHFFFAOYSA-N 1 1 252.289 2.942 20 30 CFEDMO C=C(CNC(=O)N1CCC[N@H+]2CCC[C@@H]2C1)c1ccccc1 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N#Cc1ccc(C[N@H+]2CCCN(CC3(F)CC3)CC2)cc1 ZINC000527509584 268217153 /nfs/dbraw/zinc/21/71/53/268217153.db2.gz AMTSPQQMCYMEHK-UHFFFAOYSA-N 1 1 287.382 2.568 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCCN(CC3(F)CC3)CC2)cc1 ZINC000527509584 268217155 /nfs/dbraw/zinc/21/71/55/268217155.db2.gz AMTSPQQMCYMEHK-UHFFFAOYSA-N 1 1 287.382 2.568 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)nc1 ZINC000519711973 268223558 /nfs/dbraw/zinc/22/35/58/268223558.db2.gz SCHRXYSIQWNDKU-KRWDZBQOSA-N 1 1 279.343 2.607 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCCCC[C@H]2CCO)c1F ZINC000342058517 268247965 /nfs/dbraw/zinc/24/79/65/268247965.db2.gz JWKNDOHKQUVBJU-HNNXBMFYSA-N 1 1 276.355 2.824 20 30 CFEDMO N#Cc1c(Cl)cccc1NCC[N@@H+]1CC=CCC1 ZINC000392832640 270306978 /nfs/dbraw/zinc/30/69/78/270306978.db2.gz GPKGMUGIMAEVSC-UHFFFAOYSA-N 1 1 261.756 2.885 20 30 CFEDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)[nH]1 ZINC000488215600 270342655 /nfs/dbraw/zinc/34/26/55/270342655.db2.gz LGDLPDOCVPLSDU-INIZCTEOSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(C#N)c(C)c3)C2)n1 ZINC000488215600 270342656 /nfs/dbraw/zinc/34/26/56/270342656.db2.gz LGDLPDOCVPLSDU-INIZCTEOSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)n1 ZINC000488215600 270342658 /nfs/dbraw/zinc/34/26/58/270342658.db2.gz LGDLPDOCVPLSDU-INIZCTEOSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(C#N)c(C)c3)C2)n[nH]1 ZINC000488215600 270342660 /nfs/dbraw/zinc/34/26/60/270342660.db2.gz LGDLPDOCVPLSDU-INIZCTEOSA-N 1 1 295.390 2.673 20 30 CFEDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(C#N)c(C)c3)C2)n[nH]1 ZINC000488215600 270342661 /nfs/dbraw/zinc/34/26/61/270342661.db2.gz LGDLPDOCVPLSDU-INIZCTEOSA-N 1 1 295.390 2.673 20 30 CFEDMO CC(C)(C)C1=CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000514603596 270347100 /nfs/dbraw/zinc/34/71/00/270347100.db2.gz RMQUKPFRVXVXKF-UHFFFAOYSA-N 1 1 295.390 2.779 20 30 CFEDMO C[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000249837648 274291969 /nfs/dbraw/zinc/29/19/69/274291969.db2.gz TYRASJHKKQVRNT-PBHICJAKSA-N 1 1 297.402 2.786 20 30 CFEDMO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC#Cc1ccc(Cl)cc1 ZINC000289594768 275020922 /nfs/dbraw/zinc/02/09/22/275020922.db2.gz SKGQWSKSNATOEI-GASCZTMLSA-N 1 1 273.763 2.887 20 30 CFEDMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1ccc(Cl)cc1 ZINC000289594768 275020924 /nfs/dbraw/zinc/02/09/24/275020924.db2.gz SKGQWSKSNATOEI-GASCZTMLSA-N 1 1 273.763 2.887 20 30 CFEDMO O[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000293139957 275053516 /nfs/dbraw/zinc/05/35/16/275053516.db2.gz NKUOJTYNJKRUGI-OAHLLOKOSA-N 1 1 297.320 2.904 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C)n1 ZINC000329163366 276010612 /nfs/dbraw/zinc/01/06/12/276010612.db2.gz GJYBZUOCIKDZAS-ZDUSSCGKSA-N 1 1 276.384 2.590 20 30 CFEDMO CC(=O)Nc1ccn([C@H]2CCN(c3cc(C)cc[nH+]3)C2)n1 ZINC000328612036 276094434 /nfs/dbraw/zinc/09/44/34/276094434.db2.gz NNPRJFWAJBKAIS-ZDUSSCGKSA-N 1 1 285.351 2.646 20 30 CFEDMO CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1 ZINC000248530672 276187810 /nfs/dbraw/zinc/18/78/10/276187810.db2.gz NQBSGOPWRUCPJU-CJNGLKHVSA-N 1 1 257.381 2.693 20 30 CFEDMO CC[N@H+]1CCC[C@H]1CN[C@H](C)c1ccc(C#N)cc1 ZINC000248530672 276187811 /nfs/dbraw/zinc/18/78/11/276187811.db2.gz NQBSGOPWRUCPJU-CJNGLKHVSA-N 1 1 257.381 2.693 20 30 CFEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCCc2ccccc2C1 ZINC000171988793 335087711 /nfs/dbraw/zinc/08/77/11/335087711.db2.gz FOOYWQGMFTWLDS-AWEZNQCLSA-N 1 1 253.349 2.878 20 30 CFEDMO N#CCC[C@@H](C#N)C[N@H+]1CCCc2ccccc2C1 ZINC000171988793 335087712 /nfs/dbraw/zinc/08/77/12/335087712.db2.gz FOOYWQGMFTWLDS-AWEZNQCLSA-N 1 1 253.349 2.878 20 30 CFEDMO C[N@H+]1CC[C@@]2(CCN(c3ccc4cc(C#N)ccc4n3)C2)C1 ZINC000366178339 277160908 /nfs/dbraw/zinc/16/09/08/277160908.db2.gz NKPAVNDZUDXUPU-GOSISDBHSA-N 1 1 292.386 2.638 20 30 CFEDMO COc1cc(C)c(C[NH+]2CCC(F)(C#N)CC2)c(C)n1 ZINC000348709422 277371888 /nfs/dbraw/zinc/37/18/88/277371888.db2.gz BEHQNNUMQCHCFB-UHFFFAOYSA-N 1 1 277.343 2.535 20 30 CFEDMO COc1cccc2c1CC[N@@H+](Cc1ccc(C#N)o1)CC2 ZINC000194571509 278029407 /nfs/dbraw/zinc/02/94/07/278029407.db2.gz FFFCYLZBROXQIY-UHFFFAOYSA-N 1 1 282.343 2.761 20 30 CFEDMO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccn(C)n1 ZINC000334866931 278387157 /nfs/dbraw/zinc/38/71/57/278387157.db2.gz ICAAPOROGQTZGB-BZNIZROVSA-N 1 1 266.348 2.630 20 30 CFEDMO CC[NH+](CC)C[C@H](C)N[C@H]1CCc2ccc(C#N)cc21 ZINC000353422487 279132977 /nfs/dbraw/zinc/13/29/77/279132977.db2.gz BVYDIQRJRILAMT-GUYCJALGSA-N 1 1 271.408 2.865 20 30 CFEDMO CC[N@@H+](CCN1CCCC1=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000193758616 279186971 /nfs/dbraw/zinc/18/69/71/279186971.db2.gz FIGNOAMHBINUEF-AWEZNQCLSA-N 1 1 285.391 2.564 20 30 CFEDMO C[C@H](CCC#N)[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000351496949 279253104 /nfs/dbraw/zinc/25/31/04/279253104.db2.gz YZOBVPCMAIWDKQ-PBHICJAKSA-N 1 1 270.376 2.853 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000351496949 279253107 /nfs/dbraw/zinc/25/31/07/279253107.db2.gz YZOBVPCMAIWDKQ-PBHICJAKSA-N 1 1 270.376 2.853 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344041193 280103819 /nfs/dbraw/zinc/10/38/19/280103819.db2.gz HKVHGVWJSTUEGW-GRDNDAEWSA-N 1 1 293.455 2.797 20 30 CFEDMO Cc1c[nH]nc1C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000334951511 280284300 /nfs/dbraw/zinc/28/43/00/280284300.db2.gz LSEHNSVDJWLIIW-HNNXBMFYSA-N 1 1 266.348 2.757 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1nnc2ccccn21 ZINC000135673756 280776157 /nfs/dbraw/zinc/77/61/57/280776157.db2.gz NOSLLRKRSKNFHJ-JTQLQIEISA-N 1 1 283.360 2.513 20 30 CFEDMO Cc1cccc(N2CCC(Nc3cc(C#N)ccn3)CC2)[nH+]1 ZINC000376222785 281191790 /nfs/dbraw/zinc/19/17/90/281191790.db2.gz RLPKEFIIIFFQHK-UHFFFAOYSA-N 1 1 293.374 2.738 20 30 CFEDMO N#Cc1cccc(NCc2c[nH+]c3n2CCCC3)c1[N+](=O)[O-] ZINC000556214245 281930256 /nfs/dbraw/zinc/93/02/56/281930256.db2.gz LQUHXKIJWBBQMP-UHFFFAOYSA-N 1 1 297.318 2.611 20 30 CFEDMO CC[N@H+]1CCN(c2ccc3cc(C#N)ccc3n2)[C@@H](C)C1 ZINC000561356938 282052567 /nfs/dbraw/zinc/05/25/67/282052567.db2.gz JDFVFRHBUNABTI-ZDUSSCGKSA-N 1 1 280.375 2.637 20 30 CFEDMO C[C@H](O)[C@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000305638818 290008689 /nfs/dbraw/zinc/00/86/89/290008689.db2.gz JCNSIMNWZVPUQU-XEZPLFJOSA-N 1 1 258.365 2.712 20 30 CFEDMO C[C@H](SC[C@@H]1C[N@H+](C)CCO1)c1cccc(C#N)c1 ZINC000563119514 290105864 /nfs/dbraw/zinc/10/58/64/290105864.db2.gz YNRDFQNWZMYVOB-WFASDCNBSA-N 1 1 276.405 2.683 20 30 CFEDMO C[C@H](SC[C@@H]1C[N@@H+](C)CCO1)c1cccc(C#N)c1 ZINC000563119514 290105865 /nfs/dbraw/zinc/10/58/65/290105865.db2.gz YNRDFQNWZMYVOB-WFASDCNBSA-N 1 1 276.405 2.683 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119214417 290218844 /nfs/dbraw/zinc/21/88/44/290218844.db2.gz SYVBWUFEUMDZIO-ZBFHGGJFSA-N 1 1 295.390 2.623 20 30 CFEDMO COc1ccc(C[N@@H+]2CCOC[C@@H]2C2CCC2)cc1C#N ZINC000564797517 290233333 /nfs/dbraw/zinc/23/33/33/290233333.db2.gz SRUFTNIOSBXSJH-MRXNPFEDSA-N 1 1 286.375 2.568 20 30 CFEDMO COc1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)cc1C#N ZINC000564797517 290233337 /nfs/dbraw/zinc/23/33/37/290233337.db2.gz SRUFTNIOSBXSJH-MRXNPFEDSA-N 1 1 286.375 2.568 20 30 CFEDMO Cc1cc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C#N)cn1 ZINC000564877043 290244840 /nfs/dbraw/zinc/24/48/40/290244840.db2.gz KOYJAGXDJOAPQD-LSDHHAIUSA-N 1 1 298.434 2.749 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[NH+]1C[C@H](C)N(C)[C@@H](C)C1 ZINC000339617779 290246544 /nfs/dbraw/zinc/24/65/44/290246544.db2.gz SBFXEWLRCUZWPG-MELADBBJSA-N 1 1 257.381 2.644 20 30 CFEDMO C[C@H]1CCC[C@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)C1 ZINC000564989322 290255248 /nfs/dbraw/zinc/25/52/48/290255248.db2.gz YMGNFJQIYOBBQD-WFASDCNBSA-N 1 1 283.379 2.611 20 30 CFEDMO C[C@@H]1CCC[C@@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)C1 ZINC000564989317 290255331 /nfs/dbraw/zinc/25/53/31/290255331.db2.gz YMGNFJQIYOBBQD-IUODEOHRSA-N 1 1 283.379 2.611 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCSc1cccnc1C#N ZINC000566092893 290347488 /nfs/dbraw/zinc/34/74/88/290347488.db2.gz NQTHLAPLNFGRTF-GFCCVEGCSA-N 1 1 261.394 2.920 20 30 CFEDMO C[C@@H]1CCCC[C@@H]1[N@@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000566243232 290361628 /nfs/dbraw/zinc/36/16/28/290361628.db2.gz SDFNZWGOWUNWPH-DOMZBBRYSA-N 1 1 283.379 2.611 20 30 CFEDMO C[C@H]1CCC(C)(C)[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000452002440 290368245 /nfs/dbraw/zinc/36/82/45/290368245.db2.gz HNNKGAJJPTZSQY-DZGCQCFKSA-N 1 1 288.391 2.561 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000566301994 290368553 /nfs/dbraw/zinc/36/85/53/290368553.db2.gz RGUDDPHSVXGKLO-WDEREUQCSA-N 1 1 259.309 2.697 20 30 CFEDMO Cc1nc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(Cl)cc1C#N ZINC000292495841 293290366 /nfs/dbraw/zinc/29/03/66/293290366.db2.gz FJUSLIQCTSENOY-HZMBPMFUSA-N 1 1 292.814 2.692 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCC1 ZINC001085453281 782057736 /nfs/dbraw/zinc/05/77/36/782057736.db2.gz JDPHAPLBAIYOHO-HNNXBMFYSA-N 1 1 264.413 2.676 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1F ZINC001085456908 782060499 /nfs/dbraw/zinc/06/04/99/782060499.db2.gz WBKAGVKIJUXZBE-ZDUSSCGKSA-N 1 1 276.355 2.548 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCCC1 ZINC001085462861 782061811 /nfs/dbraw/zinc/06/18/11/782061811.db2.gz PJILCTRVMVYOHP-HNNXBMFYSA-N 1 1 264.413 2.676 20 30 CFEDMO COc1ccc(C#N)cc1C[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000347226104 295077076 /nfs/dbraw/zinc/07/70/76/295077076.db2.gz MDQBXSRMGWGKSG-CYBMUJFWSA-N 1 1 288.391 2.692 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1cccc(C(=O)NCC(C)C)c1 ZINC000567747898 327766026 /nfs/dbraw/zinc/76/60/26/327766026.db2.gz CYDAHGKYRZUGNU-INIZCTEOSA-N 1 1 287.407 2.854 20 30 CFEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085508804 782085065 /nfs/dbraw/zinc/08/50/65/782085065.db2.gz JDHZPKPOPPONDA-HNNXBMFYSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CCCCCC1 ZINC001085508804 782085074 /nfs/dbraw/zinc/08/50/74/782085074.db2.gz JDHZPKPOPPONDA-HNNXBMFYSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CCCCCCN1CCO[C@H]2CC[N@H+](CC)C[C@H]21 ZINC000339391658 328009448 /nfs/dbraw/zinc/00/94/48/328009448.db2.gz BYRVJULMMIHZOG-CVEARBPZSA-N 1 1 266.429 2.528 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC(C)(C)O1 ZINC000264572485 328160426 /nfs/dbraw/zinc/16/04/26/328160426.db2.gz SIKDXMPXDOKOPV-CYBMUJFWSA-N 1 1 274.364 2.588 20 30 CFEDMO C[C@H](CC#N)[N@@H+](C)CCCOCCc1ccccc1 ZINC000268267413 328183670 /nfs/dbraw/zinc/18/36/70/328183670.db2.gz BEQNKQRDHRYODL-OAHLLOKOSA-N 1 1 260.381 2.870 20 30 CFEDMO Cc1ccc(NC(=[NH2+])NCC2(N(C)C)CCC2)cc1C ZINC000275772629 328216135 /nfs/dbraw/zinc/21/61/35/328216135.db2.gz YYYMKYNIQVRKNM-UHFFFAOYSA-N 1 1 274.412 2.514 20 30 CFEDMO Cc1cccc(CN2CC[NH+]([C@H](C)CCC#N)CC2)c1 ZINC000276352688 328217826 /nfs/dbraw/zinc/21/78/26/328217826.db2.gz WRHHOJRRWYMKOY-MRXNPFEDSA-N 1 1 271.408 2.805 20 30 CFEDMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)[C@@H]1CC[C@H](C#N)C1 ZINC000278529150 328226366 /nfs/dbraw/zinc/22/63/66/328226366.db2.gz DVNNRWDGSMCUEC-WMLDXEAASA-N 1 1 280.375 2.996 20 30 CFEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](CNc3ccccn3)C2)C1 ZINC000278533990 328226591 /nfs/dbraw/zinc/22/65/91/328226591.db2.gz FMINOWBFMXNBRL-KFWWJZLASA-N 1 1 270.380 2.508 20 30 CFEDMO Cc1ccc(OCC[N@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000278593707 328227825 /nfs/dbraw/zinc/22/78/25/328227825.db2.gz LKFMNFZLMCIANP-CABCVRRESA-N 1 1 258.365 2.998 20 30 CFEDMO C[N@@H+](Cc1ccc2c(c1)OCO2)[C@H]1CC[C@@H](C#N)C1 ZINC000278688246 328229457 /nfs/dbraw/zinc/22/94/57/328229457.db2.gz SAUGVLLFJZWYLL-YPMHNXCESA-N 1 1 258.321 2.539 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000181310020 329230666 /nfs/dbraw/zinc/23/06/66/329230666.db2.gz QSUZUKIVVPXHKE-ZDUSSCGKSA-N 1 1 278.371 2.853 20 30 CFEDMO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](c3ccccc3)C2)C1 ZINC000284446381 328246030 /nfs/dbraw/zinc/24/60/30/328246030.db2.gz ZRZBSKDZMFDLKG-VNQPRFMTSA-N 1 1 256.349 2.752 20 30 CFEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](c3ccccc3)C2)C1 ZINC000284446381 328246031 /nfs/dbraw/zinc/24/60/31/328246031.db2.gz ZRZBSKDZMFDLKG-VNQPRFMTSA-N 1 1 256.349 2.752 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000185076736 329267768 /nfs/dbraw/zinc/26/77/68/329267768.db2.gz CRVFDBCCLYHQII-GJZGRUSLSA-N 1 1 266.429 2.969 20 30 CFEDMO C[N@@H+](CCCCc1ccccc1)CCOCCC#N ZINC000293367892 328275739 /nfs/dbraw/zinc/27/57/39/328275739.db2.gz FOLUWOJKSJWWGH-UHFFFAOYSA-N 1 1 260.381 2.871 20 30 CFEDMO N#C[C@H]1CCC[C@H]([NH2+]Cc2ncc(C(F)(F)F)cn2)C1 ZINC000294998826 328284200 /nfs/dbraw/zinc/28/42/00/328284200.db2.gz LEOAOUHNSWDPBD-ONGXEEELSA-N 1 1 284.285 2.667 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085531870 782090294 /nfs/dbraw/zinc/09/02/94/782090294.db2.gz BPFKMQAMNDKKDR-CAOSSQGBSA-N 1 1 276.424 2.531 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001085535885 782090477 /nfs/dbraw/zinc/09/04/77/782090477.db2.gz RBHAQFFLHAHGKC-WCVJEAGWSA-N 1 1 276.424 2.531 20 30 CFEDMO C=C(C)[C@H](CC(=O)N1CCC[N@H+](C(C)(C)C)CC1)OCC ZINC000534481536 328304183 /nfs/dbraw/zinc/30/41/83/328304183.db2.gz BKZSRSUHBVLPEO-HNNXBMFYSA-N 1 1 296.455 2.691 20 30 CFEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000051731822 322319536 /nfs/dbraw/zinc/31/95/36/322319536.db2.gz ZLNPDUMHDKKHRJ-CHWSQXEVSA-N 1 1 271.364 2.617 20 30 CFEDMO CCOC(=O)C[N@H+](Cc1cccc(C#N)c1)C1CCCC1 ZINC000159776880 322328082 /nfs/dbraw/zinc/32/80/82/322328082.db2.gz FPFBBSDEQSIMIO-UHFFFAOYSA-N 1 1 286.375 2.866 20 30 CFEDMO CCOC(=O)C[N@@H+](Cc1cccc(C#N)c1)C1CCCC1 ZINC000159776880 322328084 /nfs/dbraw/zinc/32/80/84/322328084.db2.gz FPFBBSDEQSIMIO-UHFFFAOYSA-N 1 1 286.375 2.866 20 30 CFEDMO Cc1ccc(C#N)c(N[C@H]2CC[N@@H+](CC3CCCC3)C2)n1 ZINC000161613360 322354453 /nfs/dbraw/zinc/35/44/53/322354453.db2.gz FDGNAHHPEBVLOG-INIZCTEOSA-N 1 1 284.407 2.938 20 30 CFEDMO CCCCc1nnc(NC(=O)C[N@H+](C)C(C)C)s1 ZINC000049398829 328357415 /nfs/dbraw/zinc/35/74/15/328357415.db2.gz HLKHRXGCQDQWRG-UHFFFAOYSA-N 1 1 270.402 2.809 20 30 CFEDMO CCCCc1nnc(NC(=O)C[N@@H+](C)C(C)C)s1 ZINC000049398829 328357416 /nfs/dbraw/zinc/35/74/16/328357416.db2.gz HLKHRXGCQDQWRG-UHFFFAOYSA-N 1 1 270.402 2.809 20 30 CFEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)N(CC)CC(=C)C ZINC000121039170 328364931 /nfs/dbraw/zinc/36/49/31/328364931.db2.gz BOWJUOUIZNZTRQ-CQSZACIVSA-N 1 1 252.402 2.698 20 30 CFEDMO C=CC[N@@H+](Cc1cnc(N)s1)Cc1ccccc1 ZINC000340710550 328399659 /nfs/dbraw/zinc/39/96/59/328399659.db2.gz MJWVBMIFSLDDRK-UHFFFAOYSA-N 1 1 259.378 2.744 20 30 CFEDMO C=CC[N@H+](Cc1cnc(N)s1)Cc1ccccc1 ZINC000340710550 328399660 /nfs/dbraw/zinc/39/96/60/328399660.db2.gz MJWVBMIFSLDDRK-UHFFFAOYSA-N 1 1 259.378 2.744 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC000342064820 328416512 /nfs/dbraw/zinc/41/65/12/328416512.db2.gz YJCFALYQDXEUGE-GFCCVEGCSA-N 1 1 270.336 2.808 20 30 CFEDMO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccccc1C#N ZINC000179096807 323732949 /nfs/dbraw/zinc/73/29/49/323732949.db2.gz RVAIJXOSAKIEJV-UHFFFAOYSA-N 1 1 287.407 2.589 20 30 CFEDMO CO[C@H]1C[N@H+](Cc2ccc(F)cc2C#N)CC[C@H]1C ZINC000189365613 324027522 /nfs/dbraw/zinc/02/75/22/324027522.db2.gz HPJAEMGGTGFPQH-ABAIWWIYSA-N 1 1 262.328 2.554 20 30 CFEDMO CO[C@H]1C[N@@H+](Cc2ccc(F)cc2C#N)CC[C@H]1C ZINC000189365613 324027527 /nfs/dbraw/zinc/02/75/27/324027527.db2.gz HPJAEMGGTGFPQH-ABAIWWIYSA-N 1 1 262.328 2.554 20 30 CFEDMO Cc1[nH+]ccn1Cc1cc(C#N)ccc1Br ZINC000191743107 324053901 /nfs/dbraw/zinc/05/39/01/324053901.db2.gz KQPIJUDVUXJQRE-UHFFFAOYSA-N 1 1 276.137 2.874 20 30 CFEDMO C[C@@H]1C[NH+](CCCC#N)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000112998323 328452432 /nfs/dbraw/zinc/45/24/32/328452432.db2.gz KWPAOFGJKJCPCY-CHWSQXEVSA-N 1 1 281.400 2.620 20 30 CFEDMO C[C@H](O)[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccccc1F ZINC000579116661 324922103 /nfs/dbraw/zinc/92/21/03/324922103.db2.gz AQMPHPPUZZGIGH-BONVTDFDSA-N 1 1 290.363 2.971 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000581706612 325144248 /nfs/dbraw/zinc/14/42/48/325144248.db2.gz LAKCHCHAMPWFQH-LLVKDONJSA-N 1 1 269.270 2.728 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)nc1 ZINC000581706612 325144250 /nfs/dbraw/zinc/14/42/50/325144250.db2.gz LAKCHCHAMPWFQH-LLVKDONJSA-N 1 1 269.270 2.728 20 30 CFEDMO N#Cc1cccc(C[NH2+][C@@H](CN)C2CCCCC2)c1 ZINC000582125614 325179023 /nfs/dbraw/zinc/17/90/23/325179023.db2.gz YTPXZTURMRXNCO-INIZCTEOSA-N 1 1 257.381 2.555 20 30 CFEDMO COC(=O)c1cccc(C[N@H+]2CC(C)(C)C[C@H]2C)c1C#N ZINC000583190270 325267378 /nfs/dbraw/zinc/26/73/78/325267378.db2.gz MZELJYAWCORKPS-GFCCVEGCSA-N 1 1 286.375 2.965 20 30 CFEDMO Cc1cc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1C#N ZINC000583720718 325306219 /nfs/dbraw/zinc/30/62/19/325306219.db2.gz VRTROSUDGLSKAA-MSOLQXFVSA-N 1 1 283.419 2.783 20 30 CFEDMO Cc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1C#N ZINC000583720718 325306221 /nfs/dbraw/zinc/30/62/21/325306221.db2.gz VRTROSUDGLSKAA-MSOLQXFVSA-N 1 1 283.419 2.783 20 30 CFEDMO CCOc1ccccc1OCC[N@H+](CC)C[C@H](C)C#N ZINC000088401856 327024989 /nfs/dbraw/zinc/02/49/89/327024989.db2.gz ZDPMMFFZSKRPMN-CQSZACIVSA-N 1 1 276.380 2.946 20 30 CFEDMO CCOc1ccccc1OCC[N@@H+](CC)C[C@H](C)C#N ZINC000088401856 327024990 /nfs/dbraw/zinc/02/49/90/327024990.db2.gz ZDPMMFFZSKRPMN-CQSZACIVSA-N 1 1 276.380 2.946 20 30 CFEDMO C=CCCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000568950661 327025204 /nfs/dbraw/zinc/02/52/04/327025204.db2.gz AVIHDHRFPDFAIY-BZUAXINKSA-N 1 1 266.429 2.526 20 30 CFEDMO COc1cc(C)cc(C[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000558657151 327112069 /nfs/dbraw/zinc/11/20/69/327112069.db2.gz RIAWNRLRZNXKES-CYBMUJFWSA-N 1 1 257.337 2.537 20 30 CFEDMO C=CCCC[N@H+](C)[C@@H]1CCN(c2ccccc2OC)C1=O ZINC000151589186 327212949 /nfs/dbraw/zinc/21/29/49/327212949.db2.gz ZTHWDQJVUCFYFZ-OAHLLOKOSA-N 1 1 288.391 2.699 20 30 CFEDMO C[C@@H](C(=O)Nc1ccc(CC#N)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101635108 327221129 /nfs/dbraw/zinc/22/11/29/327221129.db2.gz DGSWMEVMJNRPNI-MJBXVCDLSA-N 1 1 285.391 2.952 20 30 CFEDMO CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)N[C@@](C)(C#N)C(C)C)C1CC1 ZINC000104966460 327240113 /nfs/dbraw/zinc/24/01/13/327240113.db2.gz YNENPJHMNGGZQV-VBQJREDUSA-N 1 1 293.455 2.940 20 30 CFEDMO COc1ccc([C@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)cc1 ZINC000112560149 327286707 /nfs/dbraw/zinc/28/67/07/327286707.db2.gz AYNFRECVYSMBOI-HOCLYGCPSA-N 1 1 283.375 2.928 20 30 CFEDMO COc1ccc([C@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)cc1 ZINC000112560149 327286708 /nfs/dbraw/zinc/28/67/08/327286708.db2.gz AYNFRECVYSMBOI-HOCLYGCPSA-N 1 1 283.375 2.928 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000560466077 327311715 /nfs/dbraw/zinc/31/17/15/327311715.db2.gz ROUHSINMKAWICV-CQSZACIVSA-N 1 1 264.369 2.849 20 30 CFEDMO C=CCCCC[N@H+]1CCSC2(CCOCC2)C1 ZINC000578604095 327344439 /nfs/dbraw/zinc/34/44/39/327344439.db2.gz ARUFTAPKQCWZLW-UHFFFAOYSA-N 1 1 255.427 2.941 20 30 CFEDMO C=CCN(Cc1ccccc1)C(=O)C[NH+]1CC(C)(C)C1 ZINC000561216042 327375884 /nfs/dbraw/zinc/37/58/84/327375884.db2.gz RARWQIABRHHLQY-UHFFFAOYSA-N 1 1 272.392 2.543 20 30 CFEDMO C=CCOCCCSCCCn1cc[nH+]c1C ZINC000359127434 328896052 /nfs/dbraw/zinc/89/60/52/328896052.db2.gz XSUUDXAPUJJLDV-UHFFFAOYSA-N 1 1 254.399 2.908 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375276192 329002422 /nfs/dbraw/zinc/00/24/22/329002422.db2.gz FZSHZTKCBJNBDR-KRWDZBQOSA-N 1 1 255.361 2.541 20 30 CFEDMO CC(C)CCN(CCC#N)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000378024349 329037300 /nfs/dbraw/zinc/03/73/00/329037300.db2.gz GVVABXVOADZZFE-CQSZACIVSA-N 1 1 288.395 2.549 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000378160774 329041848 /nfs/dbraw/zinc/04/18/48/329041848.db2.gz NZOACKUURYSFKI-BZSNNMDCSA-N 1 1 289.419 2.902 20 30 CFEDMO C#CCCCCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000378399798 329048939 /nfs/dbraw/zinc/04/89/39/329048939.db2.gz VKJVEXCSGGTYOG-GOSISDBHSA-N 1 1 298.430 2.913 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N1CCC[C@H]1c1cccs1 ZINC000378497879 329053344 /nfs/dbraw/zinc/05/33/44/329053344.db2.gz SBCRSKWRDPTLHZ-ZDUSSCGKSA-N 1 1 278.421 2.920 20 30 CFEDMO Cc1noc(C[C@H]([NH2+]CC2(C#N)CC2)c2ccccc2)n1 ZINC000582582941 329110231 /nfs/dbraw/zinc/11/02/31/329110231.db2.gz PQVBZNJACDBRTL-AWEZNQCLSA-N 1 1 282.347 2.555 20 30 CFEDMO C#CCCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000173366130 329146523 /nfs/dbraw/zinc/14/65/23/329146523.db2.gz SREWCVJFFGQHOV-KRWDZBQOSA-N 1 1 284.403 2.571 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCC(C)(C)C1 ZINC000174259702 329156036 /nfs/dbraw/zinc/15/60/36/329156036.db2.gz RKFYYKPLSYAYSL-ZDUSSCGKSA-N 1 1 252.402 2.531 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000179396652 329205232 /nfs/dbraw/zinc/20/52/32/329205232.db2.gz NDDZCGBGYYELQB-UONOGXRCSA-N 1 1 274.364 2.588 20 30 CFEDMO CC(C)[NH2+]C1CCN(CC(C)(C)CCC#N)CC1 ZINC000179838410 329212691 /nfs/dbraw/zinc/21/26/91/329212691.db2.gz VOQWLJZLSUGLOL-UHFFFAOYSA-N 1 1 251.418 2.779 20 30 CFEDMO C=C(C)C[N@@H+](C)C[C@@H](O)COc1ccccc1Cl ZINC000181246291 329227348 /nfs/dbraw/zinc/22/73/48/329227348.db2.gz HSEROTLRMQZYQX-GFCCVEGCSA-N 1 1 269.772 2.588 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000181253158 329228220 /nfs/dbraw/zinc/22/82/20/329228220.db2.gz DITRWCGTORFIKX-OAHLLOKOSA-N 1 1 274.408 2.932 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000181261799 329228292 /nfs/dbraw/zinc/22/82/92/329228292.db2.gz BSARMPVYSITCPY-HNNXBMFYSA-N 1 1 285.391 2.830 20 30 CFEDMO C=C(C)C[N@@H+](C)Cc1ccc(F)cc1C(=O)OC ZINC000181265663 329228864 /nfs/dbraw/zinc/22/88/64/329228864.db2.gz KRGMJMKJFVLHFK-UHFFFAOYSA-N 1 1 251.301 2.620 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1ccc(F)cc1C(=O)OC ZINC000181265663 329228865 /nfs/dbraw/zinc/22/88/65/329228865.db2.gz KRGMJMKJFVLHFK-UHFFFAOYSA-N 1 1 251.301 2.620 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000181277234 329229050 /nfs/dbraw/zinc/22/90/50/329229050.db2.gz LMUKXHOENYHDRK-AWEZNQCLSA-N 1 1 278.783 2.953 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000181282241 329229078 /nfs/dbraw/zinc/22/90/78/329229078.db2.gz VUEJOKYAKPOCQZ-UONOGXRCSA-N 1 1 252.402 2.674 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000181282223 329229261 /nfs/dbraw/zinc/22/92/61/329229261.db2.gz VUEJOKYAKPOCQZ-KGLIPLIRSA-N 1 1 252.402 2.674 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000181294241 329229984 /nfs/dbraw/zinc/22/99/84/329229984.db2.gz IRFGXZSELYTQQG-UHFFFAOYSA-N 1 1 272.392 2.686 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000181292951 329230060 /nfs/dbraw/zinc/23/00/60/329230060.db2.gz GMOPNOIBSBMQML-UONOGXRCSA-N 1 1 252.402 2.531 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)NC1(c2ccccc2)CCC1 ZINC000181316202 329231145 /nfs/dbraw/zinc/23/11/45/329231145.db2.gz JYLSTVMFNFWMTP-UHFFFAOYSA-N 1 1 272.392 2.690 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000185044278 329264968 /nfs/dbraw/zinc/26/49/68/329264968.db2.gz OUPXQPYHIRIJLK-RRFJBIMHSA-N 1 1 296.455 2.593 20 30 CFEDMO C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(C)(C)C#N)C1CC1 ZINC000185343269 329270832 /nfs/dbraw/zinc/27/08/32/329270832.db2.gz CQOMIQPWUWBOCZ-MRXNPFEDSA-N 1 1 299.418 2.563 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[N@@H+]1CCC[C@]12CCOC2=O ZINC000186664856 329346983 /nfs/dbraw/zinc/34/69/83/329346983.db2.gz WQPWSWFXXWFDBW-GOSISDBHSA-N 1 1 298.386 2.769 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCC[C@]12CCOC2=O ZINC000186664856 329346985 /nfs/dbraw/zinc/34/69/85/329346985.db2.gz WQPWSWFXXWFDBW-GOSISDBHSA-N 1 1 298.386 2.769 20 30 CFEDMO CN(CC#Cc1ccc(Cl)cc1)CC[N@@H+](C)C1CC1 ZINC000186746667 329348249 /nfs/dbraw/zinc/34/82/49/329348249.db2.gz VSWRGNVLOJXDQY-UHFFFAOYSA-N 1 1 276.811 2.718 20 30 CFEDMO C=CCC1(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CCC1 ZINC000189270071 329379066 /nfs/dbraw/zinc/37/90/66/329379066.db2.gz FPWSXFPVIJBGKL-HNNXBMFYSA-N 1 1 278.440 2.827 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000572254671 329961070 /nfs/dbraw/zinc/96/10/70/329961070.db2.gz VQDRFGKBMAPPNJ-WFASDCNBSA-N 1 1 291.370 2.627 20 30 CFEDMO C=CCOc1ccccc1CN[C@H]1CCCC[C@@H]1C[NH3+] ZINC000422906788 330159633 /nfs/dbraw/zinc/15/96/33/330159633.db2.gz KJFMKEXQIQGWTD-ZBFHGGJFSA-N 1 1 274.408 2.859 20 30 CFEDMO C=CCOc1ccccc1CN[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422906782 330159837 /nfs/dbraw/zinc/15/98/37/330159837.db2.gz KJFMKEXQIQGWTD-GDBMZVCRSA-N 1 1 274.408 2.859 20 30 CFEDMO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CC1CCC(C#N)CC1 ZINC000423102727 330170316 /nfs/dbraw/zinc/17/03/16/330170316.db2.gz ORNLXLMOBQATKT-LTDKPHRXSA-N 1 1 285.435 2.864 20 30 CFEDMO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](N)c3ccccc32)C1 ZINC000423153175 330173010 /nfs/dbraw/zinc/17/30/10/330173010.db2.gz GHFGGAOSLZESPQ-GVAFMPQTSA-N 1 1 255.365 2.803 20 30 CFEDMO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H](N)C2CC2)CC1 ZINC000423312576 330189517 /nfs/dbraw/zinc/18/95/17/330189517.db2.gz DNUFXSTYKNLDGH-LXPRWKDFSA-N 1 1 283.419 2.717 20 30 CFEDMO C[C@@H](N)[C@@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423454972 330203363 /nfs/dbraw/zinc/20/33/63/330203363.db2.gz ZUDDJPSDMNRGGS-QBBMROGASA-N 1 1 271.408 2.716 20 30 CFEDMO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@H](C)N ZINC000423454970 330203400 /nfs/dbraw/zinc/20/34/00/330203400.db2.gz ZUDDJPSDMNRGGS-HOBHPSKFSA-N 1 1 271.408 2.716 20 30 CFEDMO C=C(C)CN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000527180996 330230934 /nfs/dbraw/zinc/23/09/34/330230934.db2.gz NUTXMMTTZPPBHT-INIZCTEOSA-N 1 1 272.392 2.543 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H](C)c2cccc(Cl)c2)nn1 ZINC000424138787 330277000 /nfs/dbraw/zinc/27/70/00/330277000.db2.gz MXFUJBWYUYNMFA-NSHDSACASA-N 1 1 276.771 2.968 20 30 CFEDMO C=CCn1cc(C[NH2+]C/C(C)=C/c2ccccc2)nn1 ZINC000424170251 330310814 /nfs/dbraw/zinc/31/08/14/330310814.db2.gz JUDLFPZBCXMUGI-GXDHUFHOSA-N 1 1 268.364 2.657 20 30 CFEDMO CCC(C#N)(CC)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000528303621 330320350 /nfs/dbraw/zinc/32/03/50/330320350.db2.gz HVOKDNRBISAJGT-AWEZNQCLSA-N 1 1 279.428 2.553 20 30 CFEDMO C=C(C)C[N@H+](CC)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528344847 330321150 /nfs/dbraw/zinc/32/11/50/330321150.db2.gz GBFYVSHXPGJPEU-OAHLLOKOSA-N 1 1 264.413 2.818 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H]2CCCc3cc(OC)ccc32)nn1 ZINC000424293613 330335490 /nfs/dbraw/zinc/33/54/90/330335490.db2.gz IWCITJVXVCEZLV-QGZVFWFLSA-N 1 1 298.390 2.640 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc(CCc2ccccc2)no1 ZINC000424338296 330343756 /nfs/dbraw/zinc/34/37/56/330343756.db2.gz NJAXSGFALCYWQZ-ZDUSSCGKSA-N 1 1 270.336 2.548 20 30 CFEDMO CCOC(=O)[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000118825831 330368139 /nfs/dbraw/zinc/36/81/39/330368139.db2.gz LBOKDNXJHRXNMT-ZDUSSCGKSA-N 1 1 266.385 2.734 20 30 CFEDMO CCOC(=O)C[N@@H+](CCCC(C)(C)C#N)C(C)C ZINC000087607103 330373791 /nfs/dbraw/zinc/37/37/91/330373791.db2.gz XCPBTHXSDGYJPZ-UHFFFAOYSA-N 1 1 254.374 2.590 20 30 CFEDMO C=CCC[C@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)C1CC1 ZINC000120986590 330394222 /nfs/dbraw/zinc/39/42/22/330394222.db2.gz WCIXEMQDVSMQSJ-AEFFLSMTSA-N 1 1 293.499 2.594 20 30 CFEDMO C=CCCC[N@H+](C)C[C@H](O)COc1cc(C)ccc1C ZINC000121152733 330397999 /nfs/dbraw/zinc/39/79/99/330397999.db2.gz GGQUPPMVVBMLBR-INIZCTEOSA-N 1 1 277.408 2.941 20 30 CFEDMO C=CC[N@@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000121229191 330398088 /nfs/dbraw/zinc/39/80/88/330398088.db2.gz HLPVKRNEWUAYQP-AWEZNQCLSA-N 1 1 278.783 2.953 20 30 CFEDMO C=CC[N@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000121229191 330398089 /nfs/dbraw/zinc/39/80/89/330398089.db2.gz HLPVKRNEWUAYQP-AWEZNQCLSA-N 1 1 278.783 2.953 20 30 CFEDMO C=C(C)[C@@H]1OCC[C@@H]1CNc1[nH+]c2ccc(F)cc2n1C ZINC000431428623 330584505 /nfs/dbraw/zinc/58/45/05/330584505.db2.gz VMLBMLWVSDRJPK-ABAIWWIYSA-N 1 1 289.354 2.527 20 30 CFEDMO N#C[C@@H]1CC[C@H](Nc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000442874550 330789470 /nfs/dbraw/zinc/78/94/70/330789470.db2.gz QXNDJPVIAYPTCO-PBHICJAKSA-N 1 1 285.391 2.623 20 30 CFEDMO CCCC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OC ZINC000449244484 330909349 /nfs/dbraw/zinc/90/93/49/330909349.db2.gz SUGWVENQIYJCRB-OWYJLGKBSA-N 1 1 266.385 2.780 20 30 CFEDMO C/C=C\C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(=O)OCC ZINC000449281750 330911614 /nfs/dbraw/zinc/91/16/14/330911614.db2.gz DOMWQOMVUZJGKG-CUBLUHMESA-N 1 1 278.396 2.946 20 30 CFEDMO CCCCCC(=O)NC1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450324377 330972653 /nfs/dbraw/zinc/97/26/53/330972653.db2.gz OLBKICLNPNEHRW-UHFFFAOYSA-N 1 1 291.439 2.841 20 30 CFEDMO CC(=O)Nc1cccc([C@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000450668546 330992197 /nfs/dbraw/zinc/99/21/97/330992197.db2.gz NGKZDYMDEXTDNR-LBPRGKRZSA-N 1 1 271.364 2.989 20 30 CFEDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000450668545 330992213 /nfs/dbraw/zinc/99/22/13/330992213.db2.gz NGKZDYMDEXTDNR-GFCCVEGCSA-N 1 1 271.364 2.989 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)OCC)cn1 ZINC000450878168 331004326 /nfs/dbraw/zinc/00/43/26/331004326.db2.gz ITSNENJCFPAIBB-OAHLLOKOSA-N 1 1 274.364 2.799 20 30 CFEDMO N#CC1(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)CCC1 ZINC000450904629 331006141 /nfs/dbraw/zinc/00/61/41/331006141.db2.gz MLEJYKIUQORXBO-RRFJBIMHSA-N 1 1 262.397 2.696 20 30 CFEDMO C=CC(C)(C)C(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000451173724 331018765 /nfs/dbraw/zinc/01/87/65/331018765.db2.gz SZQKQPXINHXGMZ-UHFFFAOYSA-N 1 1 280.334 2.589 20 30 CFEDMO CC[C@H]1[C@H](CO)CC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000451250612 331021959 /nfs/dbraw/zinc/02/19/59/331021959.db2.gz DHXVOOJLPNRGEA-HOCLYGCPSA-N 1 1 277.795 2.784 20 30 CFEDMO C=CCCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000451293302 331023487 /nfs/dbraw/zinc/02/34/87/331023487.db2.gz GWLDPRYUKVDMQM-HNNXBMFYSA-N 1 1 264.413 2.866 20 30 CFEDMO N#CC1(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CCC1 ZINC000451355973 331025425 /nfs/dbraw/zinc/02/54/25/331025425.db2.gz WJVBSEWBNICHFK-KFWWJZLASA-N 1 1 262.397 2.696 20 30 CFEDMO CO[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000451562566 331034481 /nfs/dbraw/zinc/03/44/81/331034481.db2.gz JMJKSRZUJCKSSV-CJNGLKHVSA-N 1 1 258.365 2.609 20 30 CFEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1csc([C@H](C)OC)n1 ZINC000451677780 331038623 /nfs/dbraw/zinc/03/86/23/331038623.db2.gz VOPDQCKWLLZTGB-UHTWSYAYSA-N 1 1 282.409 2.674 20 30 CFEDMO CC[C@@H]1C[N@@H+](CC)CCN1CC#Cc1ccc(F)cc1 ZINC000451743278 331040914 /nfs/dbraw/zinc/04/09/14/331040914.db2.gz TVFORYAMEOAEHL-QGZVFWFLSA-N 1 1 274.383 2.593 20 30 CFEDMO COC[C@H]1CCCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000452035187 331051251 /nfs/dbraw/zinc/05/12/51/331051251.db2.gz GHBJPTPNOLYWSL-MRXNPFEDSA-N 1 1 261.340 2.678 20 30 CFEDMO CC(C)N1CC[C@H]([N@@H+](C)CCCC2(C#N)CCOCC2)C1 ZINC000452121281 331055052 /nfs/dbraw/zinc/05/50/52/331055052.db2.gz SHOCXPTUPWKUGY-INIZCTEOSA-N 1 1 293.455 2.501 20 30 CFEDMO CC(C)[N@@H+]1CC[C@H](N(C)CCCC2(C#N)CCOCC2)C1 ZINC000452121281 331055053 /nfs/dbraw/zinc/05/50/53/331055053.db2.gz SHOCXPTUPWKUGY-INIZCTEOSA-N 1 1 293.455 2.501 20 30 CFEDMO CC(C)[N@H+]1CC[C@H](N(C)CCCC2(C#N)CCOCC2)C1 ZINC000452121281 331055054 /nfs/dbraw/zinc/05/50/54/331055054.db2.gz SHOCXPTUPWKUGY-INIZCTEOSA-N 1 1 293.455 2.501 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452170279 331057036 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C=CCC1(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CCCC1 ZINC000456500119 331194348 /nfs/dbraw/zinc/19/43/48/331194348.db2.gz CMUBZRCGXYMIHR-HNNXBMFYSA-N 1 1 276.424 2.866 20 30 CFEDMO C=CC[C@@H](C(=O)NC1C[NH+](C(C)C)C1)c1ccccc1 ZINC000457726191 331232538 /nfs/dbraw/zinc/23/25/38/331232538.db2.gz RNWGQJZJGIIQDB-MRXNPFEDSA-N 1 1 272.392 2.555 20 30 CFEDMO C=CCCC[C@@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000458623274 331254436 /nfs/dbraw/zinc/25/44/36/331254436.db2.gz QJYGHFUMEIBDKL-WBVHZDCISA-N 1 1 293.455 2.859 20 30 CFEDMO C=CCCC[C@@H](C)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458629144 331254759 /nfs/dbraw/zinc/25/47/59/331254759.db2.gz YJBYXBBSKJGPRM-CABCVRRESA-N 1 1 281.444 2.762 20 30 CFEDMO C=C(C)CCNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458631317 331254868 /nfs/dbraw/zinc/25/48/68/331254868.db2.gz LSZSRWUMHZYPRQ-CABCVRRESA-N 1 1 293.455 2.905 20 30 CFEDMO C=CCC(C)(C)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000458810224 331260725 /nfs/dbraw/zinc/26/07/25/331260725.db2.gz 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ZINC000177256624 333056150 /nfs/dbraw/zinc/05/61/50/333056150.db2.gz JPPBODIKHRLTNT-KRWDZBQOSA-N 1 1 265.360 2.543 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1CN(c2ccccc2)CCO1 ZINC000517387746 333098498 /nfs/dbraw/zinc/09/84/98/333098498.db2.gz NKKDJDIWWLQXKT-SJLPKXTDSA-N 1 1 286.419 2.932 20 30 CFEDMO C=CC(C)(C)CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000517390371 333098613 /nfs/dbraw/zinc/09/86/13/333098613.db2.gz AQDATFVKMNOYQZ-MRXNPFEDSA-N 1 1 286.419 2.837 20 30 CFEDMO C=CCCCC[NH2+][C@H](C(=O)OC)[C@H]1CCC[C@H](OC)C1 ZINC000517572508 333102806 /nfs/dbraw/zinc/10/28/06/333102806.db2.gz MXHBXPPIJMJFBP-KKUMJFAQSA-N 1 1 283.412 2.679 20 30 CFEDMO C#CCOc1ccccc1CNCC[N@H+](C)[C@@H](C)CC ZINC000217373374 333120500 /nfs/dbraw/zinc/12/05/00/333120500.db2.gz IZGIISOCPHPGLC-HNNXBMFYSA-N 1 1 274.408 2.519 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]CCN(C)[C@@H](C)CC ZINC000217373374 333120502 /nfs/dbraw/zinc/12/05/02/333120502.db2.gz IZGIISOCPHPGLC-HNNXBMFYSA-N 1 1 274.408 2.519 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000185554887 333143701 /nfs/dbraw/zinc/14/37/01/333143701.db2.gz JZSAKCOQQKEBJS-LSDHHAIUSA-N 1 1 266.429 2.969 20 30 CFEDMO CN1CC[N@@H+](CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000219400465 333148667 /nfs/dbraw/zinc/14/86/67/333148667.db2.gz CTGUVTQSYYQJOB-MRXNPFEDSA-N 1 1 257.381 2.669 20 30 CFEDMO C[N@@H+]1CCN(CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000219400465 333148668 /nfs/dbraw/zinc/14/86/68/333148668.db2.gz CTGUVTQSYYQJOB-MRXNPFEDSA-N 1 1 257.381 2.669 20 30 CFEDMO C[N@H+]1CCN(CCCCC#N)[C@@H](c2ccccc2)C1 ZINC000219400465 333148669 /nfs/dbraw/zinc/14/86/69/333148669.db2.gz CTGUVTQSYYQJOB-MRXNPFEDSA-N 1 1 257.381 2.669 20 30 CFEDMO CC#CCCCC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000186031075 333153645 /nfs/dbraw/zinc/15/36/45/333153645.db2.gz BPYKYZYBOQHCGL-JKSUJKDBSA-N 1 1 290.451 2.949 20 30 CFEDMO COc1cccc2c1CC[C@H]2[NH2+]C[C@H](C#N)CCC#N ZINC000521862549 333194235 /nfs/dbraw/zinc/19/42/35/333194235.db2.gz CSXSVFJSCVWRGM-SWLSCSKDSA-N 1 1 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CC(C)[N@H+]1CCC[C@H](CN[C@@H](C)c2cc(C#N)ccn2)C1 ZINC000902793913 621178242 /nfs/dbraw/zinc/17/82/42/621178242.db2.gz ORVIGBXWHUVMDO-GOEBONIOSA-N 1 1 286.423 2.724 20 30 CFEDMO COc1ccc(C[NH2+][C@H](C)c2cc(C#N)ccn2)c(F)c1 ZINC000902879236 621197726 /nfs/dbraw/zinc/19/77/26/621197726.db2.gz TZNMNYREMKYFEC-LLVKDONJSA-N 1 1 285.322 2.952 20 30 CFEDMO CC[C@H]([NH2+]Cc1ccn(C)n1)c1cccc(C#N)c1 ZINC000902891955 621201057 /nfs/dbraw/zinc/20/10/57/621201057.db2.gz YIIFXFRWTBGHEB-HNNXBMFYSA-N 1 1 254.337 2.533 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902996076 621223702 /nfs/dbraw/zinc/22/37/02/621223702.db2.gz JJXREEMQHNRCBE-KGLIPLIRSA-N 1 1 274.412 2.724 20 30 CFEDMO N#CC1(C[NH2+][C@H](c2cncc(F)c2)C2CC2)CCC1 ZINC000903033707 621230364 /nfs/dbraw/zinc/23/03/64/621230364.db2.gz XUCQQCMHUYTXSV-AWEZNQCLSA-N 1 1 259.328 2.955 20 30 CFEDMO C[C@@H]([NH2+][C@H]1COCc2ccccc21)c1cc(C#N)ccn1 ZINC000903025247 621234295 /nfs/dbraw/zinc/23/42/95/621234295.db2.gz SCGQEHSDIBRLJQ-PXAZEXFGSA-N 1 1 279.343 2.875 20 30 CFEDMO C[C@@H]([NH2+][C@@H]1COCc2ccccc21)c1cc(C#N)ccn1 ZINC000903025253 621234338 /nfs/dbraw/zinc/23/43/38/621234338.db2.gz SCGQEHSDIBRLJQ-SJKOYZFVSA-N 1 1 279.343 2.875 20 30 CFEDMO N#Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903064291 621238164 /nfs/dbraw/zinc/23/81/64/621238164.db2.gz BEIFMGKSLNOFOI-ZNXRZULTSA-N 1 1 281.403 2.806 20 30 CFEDMO N#Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000903064291 621238165 /nfs/dbraw/zinc/23/81/65/621238165.db2.gz BEIFMGKSLNOFOI-ZNXRZULTSA-N 1 1 281.403 2.806 20 30 CFEDMO N#Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903064291 621238167 /nfs/dbraw/zinc/23/81/67/621238167.db2.gz BEIFMGKSLNOFOI-ZNXRZULTSA-N 1 1 281.403 2.806 20 30 CFEDMO C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1cc(C#N)ccn1 ZINC000903054275 621243356 /nfs/dbraw/zinc/24/33/56/621243356.db2.gz WEZVQGRRSSLZBE-BDJLRTHQSA-N 1 1 279.343 2.997 20 30 CFEDMO C[C@H](NC[C@H]1CC[N@@H+]1C1CCCC1)c1cc(C#N)ccn1 ZINC000903070806 621249957 /nfs/dbraw/zinc/24/99/57/621249957.db2.gz XLFNKOASGFRWFO-XJKSGUPXSA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@H](NC[C@H]1CC[N@H+]1C1CCCC1)c1cc(C#N)ccn1 ZINC000903070806 621249959 /nfs/dbraw/zinc/24/99/59/621249959.db2.gz XLFNKOASGFRWFO-XJKSGUPXSA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@@H]([NH2+]CC(C)(C)C#N)c1ccc2c(c1)CCC(=O)N2 ZINC000903100347 621252543 /nfs/dbraw/zinc/25/25/43/621252543.db2.gz ONUOAWIWVQYLGO-LLVKDONJSA-N 1 1 271.364 2.772 20 30 CFEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc([S@](C)=O)cc1 ZINC000903100729 621253034 /nfs/dbraw/zinc/25/30/34/621253034.db2.gz WINUUDLHDGJVPK-VOJFVSQTSA-N 1 1 264.394 2.624 20 30 CFEDMO COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC(C)(C)C#N)CCC2 ZINC000903102379 621253190 /nfs/dbraw/zinc/25/31/90/621253190.db2.gz XJVOQJCJPVEGEB-OAHLLOKOSA-N 1 1 286.375 2.990 20 30 CFEDMO CC(=O)N1CC[C@H]([NH2+]CC(C)(C)C#N)c2ccccc21 ZINC000903101803 621253259 /nfs/dbraw/zinc/25/32/59/621253259.db2.gz MWEPFVOOPNTARS-AWEZNQCLSA-N 1 1 271.364 2.624 20 30 CFEDMO COC(=O)c1ccc([C@H](C)[NH2+]CC(C)(C)C#N)c(C)c1 ZINC000903102314 621253343 /nfs/dbraw/zinc/25/33/43/621253343.db2.gz WAGUQRCYGVCINL-LBPRGKRZSA-N 1 1 274.364 2.982 20 30 CFEDMO COCCc1nc(C)c([C@@H](C)[NH2+]CC2(C#N)CC2)s1 ZINC000903105920 621255346 /nfs/dbraw/zinc/25/53/46/621255346.db2.gz ITFAJMAWTAECOP-SNVBAGLBSA-N 1 1 279.409 2.595 20 30 CFEDMO C[C@@H]([NH2+]Cc1cc(N(C)C)ccn1)c1cccc(C#N)c1 ZINC000903198377 621282934 /nfs/dbraw/zinc/28/29/34/621282934.db2.gz KAFPIDIVVVEQOW-CYBMUJFWSA-N 1 1 280.375 2.870 20 30 CFEDMO N#CC1CCC(C[N@H+]2CCOc3cc(N)ccc3C2)CC1 ZINC000903477305 621390602 /nfs/dbraw/zinc/39/06/02/621390602.db2.gz XUZXLWANRHRKTF-UHFFFAOYSA-N 1 1 285.391 2.793 20 30 CFEDMO C=CCN(Cc1cccs1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718417 621425725 /nfs/dbraw/zinc/42/57/25/621425725.db2.gz MEMMRSGPAYQAET-HOCLYGCPSA-N 1 1 292.448 2.505 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N(O)Cc1ccc(F)cc1 ZINC000904173084 621541783 /nfs/dbraw/zinc/54/17/83/621541783.db2.gz GIRDXDULPACKTP-OAHLLOKOSA-N 1 1 294.370 2.808 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000832721836 625496773 /nfs/dbraw/zinc/49/67/73/625496773.db2.gz PAGQIPMWILSECN-CYBMUJFWSA-N 1 1 284.469 2.532 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(N(C)C)nc2)no1 ZINC000904566168 621611231 /nfs/dbraw/zinc/61/12/31/621611231.db2.gz FBPSJUZOAYIJFE-LBPRGKRZSA-N 1 1 287.367 2.554 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ncc(C)s2)no1 ZINC000904732171 621633250 /nfs/dbraw/zinc/63/32/50/621633250.db2.gz MILRMTXELXESGT-VIFPVBQESA-N 1 1 264.354 2.858 20 30 CFEDMO C[N@@H+](Cc1cn(CC2(C#N)CCCC2)nn1)C(C)(C)C ZINC000905058026 621694968 /nfs/dbraw/zinc/69/49/68/621694968.db2.gz CXFSNLGJFZBOEP-UHFFFAOYSA-N 1 1 275.400 2.592 20 30 CFEDMO COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H](C#N)CCC#N ZINC000905433791 621770803 /nfs/dbraw/zinc/77/08/03/621770803.db2.gz BSURLCNAWNUXOQ-HIFRSBDPSA-N 1 1 299.374 2.942 20 30 CFEDMO Cc1csc(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1C#N ZINC000905521019 621789339 /nfs/dbraw/zinc/78/93/39/621789339.db2.gz OGKYBBFXHLVRPQ-LBPRGKRZSA-N 1 1 277.393 2.740 20 30 CFEDMO Cc1csc(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1C#N ZINC000905521019 621789342 /nfs/dbraw/zinc/78/93/42/621789342.db2.gz OGKYBBFXHLVRPQ-LBPRGKRZSA-N 1 1 277.393 2.740 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000905701852 621824850 /nfs/dbraw/zinc/82/48/50/621824850.db2.gz KBNHLEVKOOJTTD-DOMZBBRYSA-N 1 1 254.337 2.566 20 30 CFEDMO C=CC[C@H]([NH2+]C[C@@H](C)Cc1ccc(OC)cc1)C(=O)OC ZINC000905764363 621856112 /nfs/dbraw/zinc/85/61/12/621856112.db2.gz XGWDUDJBVYBMEJ-BBRMVZONSA-N 1 1 291.391 2.581 20 30 CFEDMO C=CC[C@H]([NH2+]C[C@H](CC)CC(F)(F)F)C(=O)OC ZINC000905770824 621859655 /nfs/dbraw/zinc/85/96/55/621859655.db2.gz DQAFAGCLWUCVCC-ZJUUUORDSA-N 1 1 267.291 2.672 20 30 CFEDMO C=CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C1CC1)C(=O)OC ZINC000905774115 621862676 /nfs/dbraw/zinc/86/26/76/621862676.db2.gz XWOWJKKURPHCIP-MJBXVCDLSA-N 1 1 251.370 2.520 20 30 CFEDMO CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000905887010 621891336 /nfs/dbraw/zinc/89/13/36/621891336.db2.gz LLYVIKHJMXSSSW-MRXNPFEDSA-N 1 1 299.374 2.572 20 30 CFEDMO CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000905887010 621891339 /nfs/dbraw/zinc/89/13/39/621891339.db2.gz LLYVIKHJMXSSSW-MRXNPFEDSA-N 1 1 299.374 2.572 20 30 CFEDMO CC[C@@](O)(C[N@@H+](C)Cc1cccc(C#N)c1)C(F)(F)F ZINC000905903093 621893957 /nfs/dbraw/zinc/89/39/57/621893957.db2.gz FWQAYUJEHDQECZ-CYBMUJFWSA-N 1 1 286.297 2.693 20 30 CFEDMO CC(C)[C@@H]1[N@@H+](C[C@@H](O)CC2(C#N)CCC2)CC12CCC2 ZINC000905954922 621911810 /nfs/dbraw/zinc/91/18/10/621911810.db2.gz DJHSAMSBQQCBBW-GJZGRUSLSA-N 1 1 276.424 2.942 20 30 CFEDMO CC(C)[C@@H]1[N@@H+](C[C@H](O)CC2(C#N)CCC2)CC1(C)C ZINC000905959278 621912133 /nfs/dbraw/zinc/91/21/33/621912133.db2.gz SCJJLPXFZGLFLU-KGLIPLIRSA-N 1 1 264.413 2.798 20 30 CFEDMO Cc1cc(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc(C)c1C#N ZINC000906241054 621963861 /nfs/dbraw/zinc/96/38/61/621963861.db2.gz SAZZBFPOOUVEHR-HOTGVXAUSA-N 1 1 297.402 2.532 20 30 CFEDMO Cc1cc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc(C)c1C#N ZINC000906765434 622043368 /nfs/dbraw/zinc/04/33/68/622043368.db2.gz HIDFCTAQSKLASF-KRWDZBQOSA-N 1 1 299.418 2.587 20 30 CFEDMO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1cncc(C#N)c1 ZINC000930203383 625535669 /nfs/dbraw/zinc/53/56/69/625535669.db2.gz WPSONAGQEJPIGR-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc(C)c1C#N ZINC000906793896 622048407 /nfs/dbraw/zinc/04/84/07/622048407.db2.gz TXOADOSQPFXMHF-PBHICJAKSA-N 1 1 299.418 2.587 20 30 CFEDMO C#CC[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC000907136344 622090039 /nfs/dbraw/zinc/09/00/39/622090039.db2.gz IGAOCKRLDJUMJO-ROUUACIJSA-N 1 1 298.430 2.989 20 30 CFEDMO Cc1cc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc(C)c1C#N ZINC000907280941 622108606 /nfs/dbraw/zinc/10/86/06/622108606.db2.gz DODGSSIXVFUTII-AWEZNQCLSA-N 1 1 297.402 2.555 20 30 CFEDMO C=CC(C)(C)CC(=O)N[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000907430885 622126071 /nfs/dbraw/zinc/12/60/71/622126071.db2.gz AKSJCZASQTWKHB-CYBMUJFWSA-N 1 1 252.402 2.578 20 30 CFEDMO CC1(C)CCCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)[C@@H]1C#N ZINC000907761882 622160182 /nfs/dbraw/zinc/16/01/82/622160182.db2.gz HVYIWZGHJLKKHA-QLFBSQMISA-N 1 1 289.423 2.544 20 30 CFEDMO C#Cc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000908358843 622220504 /nfs/dbraw/zinc/22/05/04/622220504.db2.gz PXHULNBFDWPHTI-HNNXBMFYSA-N 1 1 296.414 2.614 20 30 CFEDMO C#CCCCCCC(=O)N1CCC[N@H+](CC)C[C@@H]1C ZINC000910284732 622425697 /nfs/dbraw/zinc/42/56/97/622425697.db2.gz SXWLPOFYSJKXOW-HNNXBMFYSA-N 1 1 264.413 2.513 20 30 CFEDMO C[N@H+]1CCN(C(=O)c2ccccc2CC#N)C[C@@H]1C(C)(C)C ZINC000912026163 622607973 /nfs/dbraw/zinc/60/79/73/622607973.db2.gz DSHMHVCKDRMATI-MRXNPFEDSA-N 1 1 299.418 2.555 20 30 CFEDMO C=CC1(CC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CCCCC1 ZINC000820273513 622639319 /nfs/dbraw/zinc/63/93/19/622639319.db2.gz VXMNCIZQQBFYES-HUUCEWRRSA-N 1 1 276.424 2.676 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000820308455 622646297 /nfs/dbraw/zinc/64/62/97/622646297.db2.gz KDTYXJWBVTXWIW-GJZGRUSLSA-N 1 1 278.440 2.922 20 30 CFEDMO C=CCC[C@@H]1CCCN1C(=O)NC[C@H]1CC[N@H+](CCC)C1 ZINC000912254419 622673296 /nfs/dbraw/zinc/67/32/96/622673296.db2.gz VFIULJPCLTYSOU-HZPDHXFCSA-N 1 1 293.455 2.859 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000912707116 622764200 /nfs/dbraw/zinc/76/42/00/622764200.db2.gz JXQCWPCDUWGXHB-CAOSSQGBSA-N 1 1 274.408 2.713 20 30 CFEDMO CN(C)c1[nH+]cc(/C=C\C(=O)c2cccc(F)c2)n1C ZINC000821023240 622823842 /nfs/dbraw/zinc/82/38/42/622823842.db2.gz ZPKZPWSUOXKCFX-FPLPWBNLSA-N 1 1 273.311 2.521 20 30 CFEDMO CC(C)C#CC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000913097336 622835105 /nfs/dbraw/zinc/83/51/05/622835105.db2.gz LPESOPHRUCPSDR-AEFFLSMTSA-N 1 1 298.430 2.673 20 30 CFEDMO C=C(Br)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000821272106 622883068 /nfs/dbraw/zinc/88/30/68/622883068.db2.gz VCHLLILEFXLLPC-GFCCVEGCSA-N 1 1 267.170 2.780 20 30 CFEDMO C=C(Br)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000821272106 622883070 /nfs/dbraw/zinc/88/30/70/622883070.db2.gz VCHLLILEFXLLPC-GFCCVEGCSA-N 1 1 267.170 2.780 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000913430757 622901461 /nfs/dbraw/zinc/90/14/61/622901461.db2.gz FXOFNQQEDUCSNL-ZDUSSCGKSA-N 1 1 289.354 2.758 20 30 CFEDMO C[C@@H](O[NH+]=C(N)C1CCOCC1)c1ncc(C(C)(C)C)o1 ZINC000151370662 622903246 /nfs/dbraw/zinc/90/32/46/622903246.db2.gz VXWQOEVPUGKFKA-SNVBAGLBSA-N 1 1 295.383 2.749 20 30 CFEDMO CCOP(=O)(CCC[N@@H+](C)C[C@@H](C)C#N)OCC ZINC000876616778 622920199 /nfs/dbraw/zinc/92/01/99/622920199.db2.gz ABMYXROPWGJCDL-LBPRGKRZSA-N 1 1 276.317 2.734 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)C3(F)CCCC3)CCC[C@H]12 ZINC000991502447 622949079 /nfs/dbraw/zinc/94/90/79/622949079.db2.gz KRHSHAVVJVBDPK-WMLDXEAASA-N 1 1 294.414 2.958 20 30 CFEDMO C=CCc1cc(C[N@@H+](C)C[C@H]2CCCO2)c(O)c(OC)c1 ZINC000164355592 622950289 /nfs/dbraw/zinc/95/02/89/622950289.db2.gz RITQKZCHPDUXFJ-OAHLLOKOSA-N 1 1 291.391 2.740 20 30 CFEDMO C#CCOc1ccccc1C[NH2+][C@@H](C)CN(CC)CC ZINC000045691697 623013140 /nfs/dbraw/zinc/01/31/40/623013140.db2.gz MXKJVBDWVHPACI-HNNXBMFYSA-N 1 1 274.408 2.519 20 30 CFEDMO C#CCOc1ccccc1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000822095523 623033801 /nfs/dbraw/zinc/03/38/01/623033801.db2.gz SIRAJRCBOPIYQV-UHFFFAOYSA-N 1 1 297.358 2.657 20 30 CFEDMO CC(C)C#CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000822323092 623081637 /nfs/dbraw/zinc/08/16/37/623081637.db2.gz YYFAKTLSXODCEO-UHFFFAOYSA-N 1 1 286.419 2.802 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000822520785 623120919 /nfs/dbraw/zinc/12/09/19/623120919.db2.gz PFYSJBDTYBHAQF-QILLFSRXSA-N 1 1 299.418 2.503 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000822520785 623120921 /nfs/dbraw/zinc/12/09/21/623120921.db2.gz PFYSJBDTYBHAQF-QILLFSRXSA-N 1 1 299.418 2.503 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H]3CN(C)C[C@H]32)cc1 ZINC000822520785 623120925 /nfs/dbraw/zinc/12/09/25/623120925.db2.gz PFYSJBDTYBHAQF-QILLFSRXSA-N 1 1 299.418 2.503 20 30 CFEDMO Cc1ccc(Cc2noc([C@@H]([NH3+])CCCC#N)n2)cc1 ZINC000822701549 623155556 /nfs/dbraw/zinc/15/55/56/623155556.db2.gz RJDYEDSLMJZCMG-ZDUSSCGKSA-N 1 1 270.336 2.663 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc(CC2CCCCC2)no1 ZINC000822761151 623168897 /nfs/dbraw/zinc/16/88/97/623168897.db2.gz ZKTLHHMPZPPAGW-GFCCVEGCSA-N 1 1 262.357 2.886 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc(C2Cc3ccccc3C2)no1 ZINC000822792092 623176036 /nfs/dbraw/zinc/17/60/36/623176036.db2.gz ZHDNHFWFPHPXOI-AWEZNQCLSA-N 1 1 282.347 2.646 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc([C@H]2CCc3ccccc32)no1 ZINC000822803782 623177360 /nfs/dbraw/zinc/17/73/60/623177360.db2.gz RSKIBRMKPRTANL-KBPBESRZSA-N 1 1 282.347 2.841 20 30 CFEDMO C[C@@H](Oc1ccccc1)c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000822812448 623180403 /nfs/dbraw/zinc/18/04/03/623180403.db2.gz DDMRIDNQSLGNIH-YPMHNXCESA-N 1 1 286.335 2.903 20 30 CFEDMO Cc1cc(-c2noc([C@H]([NH3+])CCCC#N)n2)cc2[nH]cnc21 ZINC000822827107 623183181 /nfs/dbraw/zinc/18/31/81/623183181.db2.gz MJMBAXTUILYCTM-LLVKDONJSA-N 1 1 296.334 2.615 20 30 CFEDMO C=CCCCCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000822918205 623203150 /nfs/dbraw/zinc/20/31/50/623203150.db2.gz JKILPANUZWIWOA-CQSZACIVSA-N 1 1 252.402 2.581 20 30 CFEDMO Cc1ccc(-c2noc([C@H]([NH3+])CCCC#N)n2)c(F)c1 ZINC000823006240 623218596 /nfs/dbraw/zinc/21/85/96/623218596.db2.gz DLUCXGMXXKHYLG-GFCCVEGCSA-N 1 1 274.299 2.878 20 30 CFEDMO CSc1cccnc1-c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000823094686 623234216 /nfs/dbraw/zinc/23/42/16/623234216.db2.gz TYDPZPSCQKAMHU-VIFPVBQESA-N 1 1 289.364 2.547 20 30 CFEDMO CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CC1CCC1 ZINC000230316651 623270627 /nfs/dbraw/zinc/27/06/27/623270627.db2.gz JNSNQGUKAWDDBA-INIZCTEOSA-N 1 1 258.365 2.714 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2ccc3c(c2)CCC3)no1 ZINC000823231007 623271460 /nfs/dbraw/zinc/27/14/60/623271460.db2.gz RBSRTRIZHSSQJP-CQSZACIVSA-N 1 1 282.347 2.919 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2F)no1 ZINC000823248322 623275614 /nfs/dbraw/zinc/27/56/14/623275614.db2.gz OLJUNEUXKVLGAI-NSHDSACASA-N 1 1 278.262 2.708 20 30 CFEDMO N#CCCCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000172628326 623295526 /nfs/dbraw/zinc/29/55/26/623295526.db2.gz VEEAWYSFGOGALD-INIZCTEOSA-N 1 1 286.375 2.888 20 30 CFEDMO N#CCCCOC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000172628326 623295533 /nfs/dbraw/zinc/29/55/33/623295533.db2.gz VEEAWYSFGOGALD-INIZCTEOSA-N 1 1 286.375 2.888 20 30 CFEDMO C=C[C@H](CC)CC(=O)N(CCC)[C@@H]1CC[N@@H+](C)C1 ZINC000823499841 623334895 /nfs/dbraw/zinc/33/48/95/623334895.db2.gz NZYBEQCNLMKTEA-ZIAGYGMSSA-N 1 1 252.402 2.531 20 30 CFEDMO CCCCC(N)=[NH+]OCC(=O)N(CC)C1CCCCC1 ZINC000063460184 623353052 /nfs/dbraw/zinc/35/30/52/623353052.db2.gz YQGBZZXGWOFYPI-UHFFFAOYSA-N 1 1 283.416 2.647 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H]1CCOC1=O ZINC000823618462 623363405 /nfs/dbraw/zinc/36/34/05/623363405.db2.gz RGGDGNDLRDMQNE-JSGCOSHPSA-N 1 1 272.348 2.504 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3ncc(C)cc3C)CCC[C@H]12 ZINC000991975844 623434687 /nfs/dbraw/zinc/43/46/87/623434687.db2.gz QBUIDCFIOINNNX-MAUKXSAKSA-N 1 1 299.418 2.611 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@H]3C[C@H]4C[C@H]4C3)CCC[C@@H]12 ZINC000992117043 623459207 /nfs/dbraw/zinc/45/92/07/623459207.db2.gz IKFPNCNPZBALPQ-QYXWGXCQSA-N 1 1 288.435 2.722 20 30 CFEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cocc3C)CCC[C@H]12 ZINC000992120183 623460105 /nfs/dbraw/zinc/46/01/05/623460105.db2.gz PYBJMXLWQQOYRF-RDJZCZTQSA-N 1 1 288.391 2.891 20 30 CFEDMO Cc1[nH+]ccn1CCNc1nc(C)c(C#N)cc1Cl ZINC000311462432 623463898 /nfs/dbraw/zinc/46/38/98/623463898.db2.gz MILRMJIKXMSLIE-UHFFFAOYSA-N 1 1 275.743 2.532 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)co3)CCC[C@H]12 ZINC000992130873 623463908 /nfs/dbraw/zinc/46/39/08/623463908.db2.gz LYFXZVQIUNUINJ-HOCLYGCPSA-N 1 1 274.364 2.501 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+](CCF)CCOC)cc1 ZINC000827054173 623464723 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271.286 2.904 20 30 CFEDMO C(CNN=C1CCCC12CCCCC2)C[NH+]1CCOCC1 ZINC000834975707 625941634 /nfs/dbraw/zinc/94/16/34/625941634.db2.gz DBBQFHRMWVCXRX-UHFFFAOYSA-N 1 1 293.455 2.789 20 30 CFEDMO C[C@H]1C(N=Nc2ccncn2)CCC[N@H+]1Cc1ccccc1 ZINC000835002377 625950932 /nfs/dbraw/zinc/95/09/32/625950932.db2.gz VOIWBSDBCZHRFO-AWEZNQCLSA-N 1 1 295.390 2.929 20 30 CFEDMO CC(C)O[NH+]=Cc1c(Cl)cccc1N1CCOCC1 ZINC000835004263 625952901 /nfs/dbraw/zinc/95/29/01/625952901.db2.gz KTGUJHOKNHEIRY-UHFFFAOYSA-N 1 1 282.771 2.936 20 30 CFEDMO C=CCO[NH+]=Cc1cc2ccccc2nc1N1CCOCC1 ZINC000835015574 625961507 /nfs/dbraw/zinc/96/15/07/625961507.db2.gz KXAMVGYTLQZKBP-UHFFFAOYSA-N 1 1 297.358 2.608 20 30 CFEDMO CC(C)[C@H](C[NH2+]Cc1csc(C#N)c1)N1CCCC1 ZINC000921523456 625973301 /nfs/dbraw/zinc/97/33/01/625973301.db2.gz XTOGIYMITCUXGL-HNNXBMFYSA-N 1 1 277.437 2.830 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCNCc1csc(C#N)c1 ZINC000921532577 625979396 /nfs/dbraw/zinc/97/93/96/625979396.db2.gz LNGALUJMAOPQLS-LBPRGKRZSA-N 1 1 263.410 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ZINC000774503745 627933069 /nfs/dbraw/zinc/93/30/69/627933069.db2.gz UEMQLEISOWMSFV-LBPRGKRZSA-N 1 1 271.426 2.712 20 30 CFEDMO C=CCCC(C)(C)OC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000774503745 627933071 /nfs/dbraw/zinc/93/30/71/627933071.db2.gz UEMQLEISOWMSFV-LBPRGKRZSA-N 1 1 271.426 2.712 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(Br)cc2c1OCC2 ZINC000775182536 627998358 /nfs/dbraw/zinc/99/83/58/627998358.db2.gz BRTPEOLDDRQFCN-SNVBAGLBSA-N 1 1 294.192 2.838 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)cc2c1OCC2 ZINC000775182536 627998360 /nfs/dbraw/zinc/99/83/60/627998360.db2.gz BRTPEOLDDRQFCN-SNVBAGLBSA-N 1 1 294.192 2.838 20 30 CFEDMO C#CCOCC[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000851999488 634621385 /nfs/dbraw/zinc/62/13/85/634621385.db2.gz LZZTZRRVKKTUHT-MRXNPFEDSA-N 1 1 257.377 2.743 20 30 CFEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H](OC)C2CCCC2)n1 ZINC000851996265 634621770 /nfs/dbraw/zinc/62/17/70/634621770.db2.gz LQRRKXGMKAFSRL-QGZVFWFLSA-N 1 1 289.423 2.543 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](OC)C2CCCC2)n1 ZINC000851996265 634621778 /nfs/dbraw/zinc/62/17/78/634621778.db2.gz LQRRKXGMKAFSRL-QGZVFWFLSA-N 1 1 289.423 2.543 20 30 CFEDMO C#CC[C@H]([NH2+]Cc1cn2cccnc2n1)c1ccccc1 ZINC000775397717 628020033 /nfs/dbraw/zinc/02/00/33/628020033.db2.gz AJZAAXBODJIPCI-INIZCTEOSA-N 1 1 276.343 2.584 20 30 CFEDMO C#CC[C@@H]([NH2+]Cc1cccc(OC)n1)c1ccccc1 ZINC000775400761 628021151 /nfs/dbraw/zinc/02/11/51/628021151.db2.gz LQFXJNHVKDTLIQ-MRXNPFEDSA-N 1 1 266.344 2.944 20 30 CFEDMO C#CC[C@@H]([NH2+]Cc1cc(C(=O)OC)co1)c1ccccc1 ZINC000775403322 628021777 /nfs/dbraw/zinc/02/17/77/628021777.db2.gz FSXXOIKXHUTJJG-MRXNPFEDSA-N 1 1 283.327 2.920 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(OC)cc1OC)[C@H]1CCCO1 ZINC000775571156 628038488 /nfs/dbraw/zinc/03/84/88/628038488.db2.gz BCZYZDWYLLOGRT-VBNZEHGJSA-N 1 1 289.375 2.535 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1F)[C@@H]1CCCO1 ZINC000775573085 628040436 /nfs/dbraw/zinc/04/04/36/628040436.db2.gz FWWWBTPMUFHXFE-LKTVYLICSA-N 1 1 265.303 2.796 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)[C@H]1CCCO1 ZINC000775573323 628041439 /nfs/dbraw/zinc/04/14/39/628041439.db2.gz GYOUFPVNCADREG-XFBWCDHKSA-N 1 1 272.323 2.529 20 30 CFEDMO C#CC[N@H+](CC)Cc1cc(Br)cc(C)c1O ZINC000775662937 628051239 /nfs/dbraw/zinc/05/12/39/628051239.db2.gz WYBVRQMUELVRNO-UHFFFAOYSA-N 1 1 282.181 2.918 20 30 CFEDMO CC(C)(C)OC1CC([N@@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000775975491 628089383 /nfs/dbraw/zinc/08/93/83/628089383.db2.gz PDZQKBGJIOXAMJ-PIMMBPRGSA-N 1 1 250.386 2.958 20 30 CFEDMO CC(C)(C)OC1CC([N@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000775975491 628089385 /nfs/dbraw/zinc/08/93/85/628089385.db2.gz PDZQKBGJIOXAMJ-PIMMBPRGSA-N 1 1 250.386 2.958 20 30 CFEDMO C#CCCN1CC[N@@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC000776033327 628096521 /nfs/dbraw/zinc/09/65/21/628096521.db2.gz IENKTVXLCJZMJD-SFHVURJKSA-N 1 1 270.420 2.996 20 30 CFEDMO C#CCC[N@@H+]1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC000776033327 628096523 /nfs/dbraw/zinc/09/65/23/628096523.db2.gz IENKTVXLCJZMJD-SFHVURJKSA-N 1 1 270.420 2.996 20 30 CFEDMO C#CCC[N@H+]1CCN(Cc2ccccc2)[C@@H](CCC)C1 ZINC000776033327 628096527 /nfs/dbraw/zinc/09/65/27/628096527.db2.gz IENKTVXLCJZMJD-SFHVURJKSA-N 1 1 270.420 2.996 20 30 CFEDMO CCCC[N@H+](C)CCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000776159580 628108246 /nfs/dbraw/zinc/10/82/46/628108246.db2.gz XVXCNNNQGNHPOD-HNNXBMFYSA-N 1 1 289.423 2.971 20 30 CFEDMO CCCC[N@@H+](C)CCN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000776159580 628108248 /nfs/dbraw/zinc/10/82/48/628108248.db2.gz XVXCNNNQGNHPOD-HNNXBMFYSA-N 1 1 289.423 2.971 20 30 CFEDMO C[C@H](NC[C@@H](C1CC1)[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000776159337 628108384 /nfs/dbraw/zinc/10/83/84/628108384.db2.gz VLFCRPWPJPUHBS-GUYCJALGSA-N 1 1 287.407 2.580 20 30 CFEDMO C[C@H]([NH2+]Cc1ncccc1F)c1ccc(OCC#N)cc1 ZINC000776167375 628109695 /nfs/dbraw/zinc/10/96/95/628109695.db2.gz BTGILWWICPQZTO-LBPRGKRZSA-N 1 1 285.322 2.974 20 30 CFEDMO C[C@@H]([NH2+]Cc1ncccc1F)c1ccc(OCC#N)cc1 ZINC000776167373 628109997 /nfs/dbraw/zinc/10/99/97/628109997.db2.gz BTGILWWICPQZTO-GFCCVEGCSA-N 1 1 285.322 2.974 20 30 CFEDMO C#CCOc1cc(F)ccc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000777123913 628201665 /nfs/dbraw/zinc/20/16/65/628201665.db2.gz QBUYWELALVFVAJ-TZMCWYRMSA-N 1 1 276.355 2.732 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)(CC)CC1 ZINC000777216931 628207953 /nfs/dbraw/zinc/20/79/53/628207953.db2.gz HQADDNHKLKVYJZ-HNNXBMFYSA-N 1 1 276.424 2.513 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)(CC)CC1 ZINC000777216931 628207957 /nfs/dbraw/zinc/20/79/57/628207957.db2.gz HQADDNHKLKVYJZ-HNNXBMFYSA-N 1 1 276.424 2.513 20 30 CFEDMO C#CC[N@@H+](CC)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000777595878 628239755 /nfs/dbraw/zinc/23/97/55/628239755.db2.gz FIUFTYGBRULDKM-AWEZNQCLSA-N 1 1 294.757 2.540 20 30 CFEDMO C#CC[N@H+](CC)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000777595878 628239757 /nfs/dbraw/zinc/23/97/57/628239757.db2.gz FIUFTYGBRULDKM-AWEZNQCLSA-N 1 1 294.757 2.540 20 30 CFEDMO C=CC[N@@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000778167767 628282172 /nfs/dbraw/zinc/28/21/72/628282172.db2.gz QOYFXNMBZCGHFT-UHFFFAOYSA-N 1 1 254.333 2.896 20 30 CFEDMO C=CC[N@H+](C)CC(=O)Nc1ccc2ccccc2c1 ZINC000778167767 628282175 /nfs/dbraw/zinc/28/21/75/628282175.db2.gz QOYFXNMBZCGHFT-UHFFFAOYSA-N 1 1 254.333 2.896 20 30 CFEDMO C[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1F ZINC000778231887 628290175 /nfs/dbraw/zinc/29/01/75/628290175.db2.gz DGZBYKGMUQBQIY-DOMZBBRYSA-N 1 1 262.328 2.769 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C[C@@H]1F ZINC000778231887 628290177 /nfs/dbraw/zinc/29/01/77/628290177.db2.gz DGZBYKGMUQBQIY-DOMZBBRYSA-N 1 1 262.328 2.769 20 30 CFEDMO CCCCCCCC[N@H+]1CC[C@@H](OC)C[C@H]1C(=O)OC ZINC000778232184 628290507 /nfs/dbraw/zinc/29/05/07/628290507.db2.gz GJHLGADZTCWIJR-CABCVRRESA-N 1 1 285.428 2.999 20 30 CFEDMO N#CCCC[C@H]([NH2+]Cc1cnon1)c1ccccc1 ZINC000852084577 634647508 /nfs/dbraw/zinc/64/75/08/634647508.db2.gz WSIGIOXZPXBCEG-AWEZNQCLSA-N 1 1 256.309 2.594 20 30 CFEDMO CC[C@H](C(=O)[C@@H](C#N)c1nc(C)cs1)[NH+](CC)CC ZINC000778595469 628318757 /nfs/dbraw/zinc/31/87/57/628318757.db2.gz OXZFCGFUOSNYFN-VXGBXAGGSA-N 1 1 279.409 2.748 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)/C(C)=C\c2ccc(C)cc2)CC1 ZINC000778684086 628324552 /nfs/dbraw/zinc/32/45/52/628324552.db2.gz SHLSAUXEPGGRLN-ICFOKQHNSA-N 1 1 296.414 2.566 20 30 CFEDMO C#CCOCC[N@H+](C)Cc1cccc(Br)c1 ZINC000778955190 628341222 /nfs/dbraw/zinc/34/12/22/628341222.db2.gz NPRQKWZJOIOEKE-UHFFFAOYSA-N 1 1 282.181 2.531 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000779166226 628357814 /nfs/dbraw/zinc/35/78/14/628357814.db2.gz VZABQVOUXZTCBG-CHWSQXEVSA-N 1 1 293.794 2.555 20 30 CFEDMO COc1ccc2cc(C(C)=NNC3=[NH+]C[C@@H](C)N3)ccc2c1 ZINC000779792637 628406653 /nfs/dbraw/zinc/40/66/53/628406653.db2.gz OKGSXJUXJHTNCI-LLVKDONJSA-N 1 1 296.374 2.510 20 30 CFEDMO Cc1[nH]c2ccccc2c1C=NNc1cc[nH+]cc1 ZINC000779808589 628408480 /nfs/dbraw/zinc/40/84/80/628408480.db2.gz MMDZWYYGZZZTGD-UHFFFAOYSA-N 1 1 250.305 2.739 20 30 CFEDMO Fc1ccc2[nH]cc(C=NNc3cc[nH+]cc3)c2c1 ZINC000779809357 628408667 /nfs/dbraw/zinc/40/86/67/628408667.db2.gz XCTIKYSBWWGIPK-UHFFFAOYSA-N 1 1 254.268 2.570 20 30 CFEDMO C#CCCCCCC(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000780016085 628426914 /nfs/dbraw/zinc/42/69/14/628426914.db2.gz CMNAMGALPMIZCV-GJZGRUSLSA-N 1 1 264.413 2.511 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccc1F ZINC000780329569 628455131 /nfs/dbraw/zinc/45/51/31/628455131.db2.gz KTRQPNJIVZJPDE-NSHDSACASA-N 1 1 255.296 2.943 20 30 CFEDMO C#CCCCCCC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000780472341 628467073 /nfs/dbraw/zinc/46/70/73/628467073.db2.gz YURIBRBVRFAEPL-UHFFFAOYSA-N 1 1 264.413 2.513 20 30 CFEDMO CCCC[C@@H](ON=C(C)C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000780979875 628509908 /nfs/dbraw/zinc/50/99/08/628509908.db2.gz YMLQSALWZXRFFP-LSDHHAIUSA-N 1 1 297.443 2.558 20 30 CFEDMO CCCC[C@@H](ON=C(C)C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000780979874 628510185 /nfs/dbraw/zinc/51/01/85/628510185.db2.gz YMLQSALWZXRFFP-HUUCEWRRSA-N 1 1 297.443 2.558 20 30 CFEDMO N#CCC1CC[NH+](CN2C(=O)C[C@@H]2c2ccccc2)CC1 ZINC000781571028 628561150 /nfs/dbraw/zinc/56/11/50/628561150.db2.gz FHZBDNMYGJCHJB-MRXNPFEDSA-N 1 1 283.375 2.543 20 30 CFEDMO C#CCOCC[N@@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000852126399 634666804 /nfs/dbraw/zinc/66/68/04/634666804.db2.gz ATMDXEVFKJZDKH-NSHDSACASA-N 1 1 291.782 2.859 20 30 CFEDMO C#CCOCC[N@H+](C)[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000852126399 634666806 /nfs/dbraw/zinc/66/68/06/634666806.db2.gz ATMDXEVFKJZDKH-NSHDSACASA-N 1 1 291.782 2.859 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccc(Cl)cc1F)[C@@H]1CCCO1 ZINC000781917600 628590761 /nfs/dbraw/zinc/59/07/61/628590761.db2.gz MOWZPHVXNXGUSI-KBPBESRZSA-N 1 1 267.731 2.750 20 30 CFEDMO CC(C)[C@H]1C[N@H+](CCCC#N)CCN1C(=O)OC(C)(C)C ZINC000781986503 628594630 /nfs/dbraw/zinc/59/46/30/628594630.db2.gz ZYSBRMYPQWMNHE-CQSZACIVSA-N 1 1 295.427 2.867 20 30 CFEDMO CC(C)[C@H]1C[N@@H+](CCCC#N)CCN1C(=O)OC(C)(C)C ZINC000781986503 628594634 /nfs/dbraw/zinc/59/46/34/628594634.db2.gz ZYSBRMYPQWMNHE-CQSZACIVSA-N 1 1 295.427 2.867 20 30 CFEDMO CCCCCCCC[N@@H+](CCO)C1CCOCC1 ZINC000781979694 628594952 /nfs/dbraw/zinc/59/49/52/628594952.db2.gz BEDLDHVYCBACIN-UHFFFAOYSA-N 1 1 257.418 2.820 20 30 CFEDMO C#CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCC ZINC000782094298 628603712 /nfs/dbraw/zinc/60/37/12/628603712.db2.gz AHHGQWORDUQGCK-AWEZNQCLSA-N 1 1 280.412 2.731 20 30 CFEDMO N#CCOc1cc(F)ccc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000782159355 628608706 /nfs/dbraw/zinc/60/87/06/628608706.db2.gz CCPYACLTRXMYDV-KBPBESRZSA-N 1 1 289.354 2.767 20 30 CFEDMO C=C(Cl)C[NH2+][C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000782353752 628631743 /nfs/dbraw/zinc/63/17/43/628631743.db2.gz VNGOMZTUGQTPAD-INIZCTEOSA-N 1 1 294.826 2.710 20 30 CFEDMO N#Cc1ccc(C[NH2+][C@H]2CCCOc3ccccc32)nc1 ZINC000783294721 628698360 /nfs/dbraw/zinc/69/83/60/628698360.db2.gz URRQIVKPSBNGSE-INIZCTEOSA-N 1 1 279.343 2.957 20 30 CFEDMO NC(=[NH+]OCCC1CCCC1)c1ccc2c(c1)CCO2 ZINC000783558703 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Cc1ccccc1[C@H]1CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000801917316 630487177 /nfs/dbraw/zinc/48/71/77/630487177.db2.gz ZACDZFGRIKJRKI-CABCVRRESA-N 1 1 258.365 2.713 20 30 CFEDMO C=CC[N@H+](CCO[C@@H](C)C#N)CC1CCCCC1 ZINC000801920837 630487910 /nfs/dbraw/zinc/48/79/10/630487910.db2.gz UIQLTXCXILBPKS-AWEZNQCLSA-N 1 1 250.386 2.983 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000801923325 630488370 /nfs/dbraw/zinc/48/83/70/630488370.db2.gz FWTVHVAHHSNHLT-MNAZLIDISA-N 1 1 294.439 2.975 20 30 CFEDMO CC[C@@H](Cc1ccccc1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801923166 630488935 /nfs/dbraw/zinc/48/89/35/630488935.db2.gz ADEGWUSIAFSQFN-HOCLYGCPSA-N 1 1 260.381 2.868 20 30 CFEDMO Cc1ccc2[nH]c3c(c2c1)C[N@H+](CCO[C@@H](C)C#N)CC3 ZINC000801932371 630490655 /nfs/dbraw/zinc/49/06/55/630490655.db2.gz LHCXALYIIRJZIA-ZDUSSCGKSA-N 1 1 283.375 2.763 20 30 CFEDMO Cc1ccc2[nH]c3c(c2c1)C[N@@H+](CCO[C@@H](C)C#N)CC3 ZINC000801932371 630490657 /nfs/dbraw/zinc/49/06/57/630490657.db2.gz 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ZINC000859172001 636485060 /nfs/dbraw/zinc/48/50/60/636485060.db2.gz JRUKVYVHZWQINC-UHFFFAOYSA-N 1 1 294.782 2.521 20 30 CFEDMO C#CCC[NH+]1CCN(Cc2nc3cc(C)ccc3s2)CC1 ZINC000859214076 636506939 /nfs/dbraw/zinc/50/69/39/636506939.db2.gz VDWATNGHKZAUCD-UHFFFAOYSA-N 1 1 299.443 2.746 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](CC(=O)c2c[nH]c3ccc(F)cc32)C1 ZINC000859335628 636545325 /nfs/dbraw/zinc/54/53/25/636545325.db2.gz DAQOVMJHWAPJOR-LBPRGKRZSA-N 1 1 284.334 2.835 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CC(=O)c2c[nH]c3ccc(F)cc32)C1 ZINC000859335628 636545330 /nfs/dbraw/zinc/54/53/30/636545330.db2.gz DAQOVMJHWAPJOR-LBPRGKRZSA-N 1 1 284.334 2.835 20 30 CFEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000859444444 636565183 /nfs/dbraw/zinc/56/51/83/636565183.db2.gz OAUUQFOQVXSMJV-AWEZNQCLSA-N 1 1 256.349 2.987 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2c(Cl)ncnc2N(C)C)C1 ZINC000859445161 636566410 /nfs/dbraw/zinc/56/64/10/636566410.db2.gz CYEGCLTYYLWWFR-NSHDSACASA-N 1 1 280.803 2.594 20 30 CFEDMO C=CC[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000859444746 636566470 /nfs/dbraw/zinc/56/64/70/636566470.db2.gz YTQWHLYPLOQSGT-NHYWBVRUSA-N 1 1 267.319 2.896 20 30 CFEDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(C)c(C#N)c1 ZINC000859568536 636604291 /nfs/dbraw/zinc/60/42/91/636604291.db2.gz ZIQLXEWMLXYHNL-INIZCTEOSA-N 1 1 286.375 2.784 20 30 CFEDMO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(C)c(C#N)c1 ZINC000859568536 636604295 /nfs/dbraw/zinc/60/42/95/636604295.db2.gz ZIQLXEWMLXYHNL-INIZCTEOSA-N 1 1 286.375 2.784 20 30 CFEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000048579549 650271968 /nfs/dbraw/zinc/27/19/68/650271968.db2.gz MBVNOBUVGPWRPC-SNVBAGLBSA-N 1 1 299.201 2.563 20 30 CFEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000048579549 650271972 /nfs/dbraw/zinc/27/19/72/650271972.db2.gz MBVNOBUVGPWRPC-SNVBAGLBSA-N 1 1 299.201 2.563 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000859911122 636740550 /nfs/dbraw/zinc/74/05/50/636740550.db2.gz NNFDEOHSRVNPFN-LLVKDONJSA-N 1 1 298.308 2.992 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCc2cccc(C(F)(F)F)c2C1 ZINC000859911122 636740558 /nfs/dbraw/zinc/74/05/58/636740558.db2.gz NNFDEOHSRVNPFN-LLVKDONJSA-N 1 1 298.308 2.992 20 30 CFEDMO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccns1 ZINC000860059243 636773383 /nfs/dbraw/zinc/77/33/83/636773383.db2.gz XHKSJSUQEHWZII-SNVBAGLBSA-N 1 1 273.361 2.874 20 30 CFEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](F)CC)C2)CC1 ZINC001015660376 651208367 /nfs/dbraw/zinc/20/83/67/651208367.db2.gz YUNMILQHYQQTRH-HUUCEWRRSA-N 1 1 282.403 2.671 20 30 CFEDMO C=CC[C@@H]1CCCC[C@H]1OC(=O)Cn1c[nH+]cc1C ZINC000860870289 636996695 /nfs/dbraw/zinc/99/66/95/636996695.db2.gz NTWDAGAKJNWZAK-ZIAGYGMSSA-N 1 1 262.353 2.870 20 30 CFEDMO C=CC[C@H](C=C)OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000860929013 637022301 /nfs/dbraw/zinc/02/23/01/637022301.db2.gz PCLIPHODDOLJNB-SWLSCSKDSA-N 1 1 269.360 2.873 20 30 CFEDMO C#CCN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CCC ZINC000861271206 637139269 /nfs/dbraw/zinc/13/92/69/637139269.db2.gz PHSKCCCVQUZFDZ-QZTJIDSGSA-N 1 1 298.430 2.626 20 30 CFEDMO CCCCCCCCC(=O)NC1CC([NH+]2CCOCC2)C1 ZINC000862105790 637275393 /nfs/dbraw/zinc/27/53/93/637275393.db2.gz UDXNSGVQIFYGFP-UHFFFAOYSA-N 1 1 296.455 2.716 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)cc3)nn2)C1 ZINC000862399941 637357651 /nfs/dbraw/zinc/35/76/51/637357651.db2.gz IFGZOZPPKVMVQG-CQSZACIVSA-N 1 1 298.365 2.642 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(F)cc3)nn2)C1 ZINC000862399941 637357657 /nfs/dbraw/zinc/35/76/57/637357657.db2.gz IFGZOZPPKVMVQG-CQSZACIVSA-N 1 1 298.365 2.642 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000862443785 637383960 /nfs/dbraw/zinc/38/39/60/637383960.db2.gz UCPIYVQOYWWOPZ-AWEZNQCLSA-N 1 1 267.376 2.901 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000862444545 637385731 /nfs/dbraw/zinc/38/57/31/637385731.db2.gz BSFOPIXSFWITLD-CYBMUJFWSA-N 1 1 271.389 2.779 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc(C(C)(C)C)nc2)C1 ZINC000862446776 637387176 /nfs/dbraw/zinc/38/71/76/637387176.db2.gz DMSSHWDJQDMRLC-CYBMUJFWSA-N 1 1 257.381 2.619 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000862445262 637387641 /nfs/dbraw/zinc/38/76/41/637387641.db2.gz PGZGHCOGAKWODE-CYBMUJFWSA-N 1 1 259.397 2.563 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000862447288 637388100 /nfs/dbraw/zinc/38/81/00/637388100.db2.gz LCYRIDIBMMFOJE-GFCCVEGCSA-N 1 1 291.778 2.972 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2ccnn2CCc2ccccc2)C1 ZINC000862447253 637388164 /nfs/dbraw/zinc/38/81/64/637388164.db2.gz KOLGOCSGGIFVTL-GOSISDBHSA-N 1 1 293.414 2.971 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(O)c(OCC)c2)C1 ZINC000862448145 637388659 /nfs/dbraw/zinc/38/86/59/637388659.db2.gz WXCNJNPPZUIOOG-ZDUSSCGKSA-N 1 1 259.349 2.636 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001015810095 651214813 /nfs/dbraw/zinc/21/48/13/651214813.db2.gz ZWMJYDONCVENKO-LLVKDONJSA-N 1 1 298.839 2.711 20 30 CFEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](CC)CC1=O ZINC000119203728 637531809 /nfs/dbraw/zinc/53/18/09/637531809.db2.gz GBEWDYAIORWMHM-HNNXBMFYSA-N 1 1 299.418 2.986 20 30 CFEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](CC)CC1=O ZINC000119203728 637531820 /nfs/dbraw/zinc/53/18/20/637531820.db2.gz GBEWDYAIORWMHM-HNNXBMFYSA-N 1 1 299.418 2.986 20 30 CFEDMO CC(C)(C)OC(=O)N[C@@H]1CCCCCC1=[NH+]n1cccn1 ZINC000863164540 637577636 /nfs/dbraw/zinc/57/76/36/637577636.db2.gz MUVXLNKWFILANO-GFCCVEGCSA-N 1 1 292.383 2.945 20 30 CFEDMO CC(=[NH+]n1cccn1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000863164774 637577716 /nfs/dbraw/zinc/57/77/16/637577716.db2.gz UZISEGHNIWQTQQ-NSHDSACASA-N 1 1 272.308 2.894 20 30 CFEDMO CCCCCCCCC[N@H+](C)[C@H](C)c1nnnn1C ZINC000188869172 650348642 /nfs/dbraw/zinc/34/86/42/650348642.db2.gz MWJPFEULQPEBFA-CYBMUJFWSA-N 1 1 267.421 2.954 20 30 CFEDMO CCCCCCCCC[N@@H+](C)[C@H](C)c1nnnn1C ZINC000188869172 650348644 /nfs/dbraw/zinc/34/86/44/650348644.db2.gz MWJPFEULQPEBFA-CYBMUJFWSA-N 1 1 267.421 2.954 20 30 CFEDMO C=CCCC[N@@H+](C)CN1Cc2cc(OC)ccc2C1=O ZINC000863261114 637607822 /nfs/dbraw/zinc/60/78/22/637607822.db2.gz XXWPGEGDDJQQAS-UHFFFAOYSA-N 1 1 274.364 2.507 20 30 CFEDMO C=CCCC[N@H+](C)CN1Cc2cc(OC)ccc2C1=O ZINC000863261114 637607824 /nfs/dbraw/zinc/60/78/24/637607824.db2.gz XXWPGEGDDJQQAS-UHFFFAOYSA-N 1 1 274.364 2.507 20 30 CFEDMO CCc1[nH+]c(C)cn1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000865394605 638305774 /nfs/dbraw/zinc/30/57/74/638305774.db2.gz QIVMTKKMARIAQL-UHFFFAOYSA-N 1 1 270.292 2.582 20 30 CFEDMO C[C@@H](CNc1cc(C(F)(F)F)cc(C#N)n1)[N@@H+](C)C1CC1 ZINC000865504179 638383920 /nfs/dbraw/zinc/38/39/20/638383920.db2.gz FEHLLFVDFFTRIK-VIFPVBQESA-N 1 1 298.312 2.867 20 30 CFEDMO CN(c1cc(C(F)(F)F)cc(C#N)n1)[C@@H]1CCC[N@@H+](C)C1 ZINC000865560264 638422785 /nfs/dbraw/zinc/42/27/85/638422785.db2.gz FLCPHIVGBBYKRK-GFCCVEGCSA-N 1 1 298.312 2.502 20 30 CFEDMO C[C@H]1C[C@@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])CC[N@H+]1C ZINC000865559140 638423358 /nfs/dbraw/zinc/42/33/58/638423358.db2.gz XJGOBOFTCVKOSA-ONGXEEELSA-N 1 1 292.314 2.500 20 30 CFEDMO C[C@@H]1[C@H](C)[N@@H+](C)CCN1c1cc(C(F)(F)F)cc(C#N)n1 ZINC000865654336 638491037 /nfs/dbraw/zinc/49/10/37/638491037.db2.gz NKPRZIKRNPWWHH-VHSXEESVSA-N 1 1 298.312 2.501 20 30 CFEDMO N#Cc1cc(C(F)(F)F)cc(NCC[N@@H+]2CC=CCC2)n1 ZINC000865746044 638549697 /nfs/dbraw/zinc/54/96/97/638549697.db2.gz IPQKCCVOBRIHDA-UHFFFAOYSA-N 1 1 296.296 2.646 20 30 CFEDMO C#CC[N@@H+](CC(=O)N1CCCCC1)[C@@H]1CCc2ccccc21 ZINC000077656754 650439193 /nfs/dbraw/zinc/43/91/93/650439193.db2.gz GQRKJGDCBNDWNF-GOSISDBHSA-N 1 1 296.414 2.622 20 30 CFEDMO C#CC[N@H+](CC(=O)N1CCCCC1)[C@@H]1CCc2ccccc21 ZINC000077656754 650439194 /nfs/dbraw/zinc/43/91/94/650439194.db2.gz GQRKJGDCBNDWNF-GOSISDBHSA-N 1 1 296.414 2.622 20 30 CFEDMO N#Cc1nccnc1NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000866192446 638766615 /nfs/dbraw/zinc/76/66/15/638766615.db2.gz KRKAFNXEBMYSBK-CQSZACIVSA-N 1 1 285.395 2.557 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3ccc4cc(C#N)ccc4n3)CC[C@@H]21 ZINC000866205202 638770112 /nfs/dbraw/zinc/77/01/12/638770112.db2.gz KAHOKLKFDMTHOL-RDJZCZTQSA-N 1 1 292.386 2.637 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3ccc(Cl)cc3C#N)CC[C@H]21 ZINC000866206889 638770400 /nfs/dbraw/zinc/77/04/00/638770400.db2.gz UNCCHDPAHZBIKX-SMDDNHRTSA-N 1 1 275.783 2.742 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3ncc(C#N)c4ccsc43)CC[C@@H]21 ZINC000866208685 638770996 /nfs/dbraw/zinc/77/09/96/638770996.db2.gz KRSWPYGYMWUSNF-FZMZJTMJSA-N 1 1 298.415 2.698 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3cc(Cl)ccc3C#N)CC[C@H]21 ZINC000866208245 638771059 /nfs/dbraw/zinc/77/10/59/638771059.db2.gz ZZTAPYNDEYXTOB-TZMCWYRMSA-N 1 1 275.783 2.742 20 30 CFEDMO COc1ncccc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866227552 638774321 /nfs/dbraw/zinc/77/43/21/638774321.db2.gz FCNCVANSSBGTFM-LLVKDONJSA-N 1 1 283.331 2.518 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(C#N)c1[O-] ZINC000866236355 638776636 /nfs/dbraw/zinc/77/66/36/638776636.db2.gz DCXJHYZKGMKDCH-CFVMTHIKSA-N 1 1 285.391 2.541 20 30 CFEDMO Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1[O-] ZINC000866259008 638781982 /nfs/dbraw/zinc/78/19/82/638781982.db2.gz FGYBJLNVFYPVSI-CHWSQXEVSA-N 1 1 298.390 2.756 20 30 CFEDMO C=CCSCC[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866292308 638790565 /nfs/dbraw/zinc/79/05/65/638790565.db2.gz JUWSPSORZQQKNK-JSGCOSHPSA-N 1 1 267.369 2.967 20 30 CFEDMO N#C[C@@H]1CC[C@H]([NH2+][C@H]2c3ccccc3OC[C@@H]2F)C1 ZINC000866341060 638799395 /nfs/dbraw/zinc/79/93/95/638799395.db2.gz KJMCYEUZSLILNZ-MPXAEWJHSA-N 1 1 260.312 2.740 20 30 CFEDMO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2c3ccccc3OC[C@H]2F)C1 ZINC000866379229 638809673 /nfs/dbraw/zinc/80/96/73/638809673.db2.gz KJMCYEUZSLILNZ-FMVNMVDZSA-N 1 1 260.312 2.740 20 30 CFEDMO N#C[C@@H]1CC[C@H]([NH+]2CCN(c3ccc(F)cc3F)CC2)C1 ZINC000866593118 638850888 /nfs/dbraw/zinc/85/08/88/638850888.db2.gz ZLNPASRFUWKWTG-OCCSQVGLSA-N 1 1 291.345 2.779 20 30 CFEDMO C[C@H]([NH2+][C@H]1CCCn2nccc21)c1cccc(C#N)c1O ZINC000866632797 638858130 /nfs/dbraw/zinc/85/81/30/638858130.db2.gz BSEAPZOWGXBHLT-FZMZJTMJSA-N 1 1 282.347 2.646 20 30 CFEDMO C=C[C@H](C)NC(=O)NC[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000868394088 638942533 /nfs/dbraw/zinc/94/25/33/638942533.db2.gz WKQATCNEMCCQHH-DZGCQCFKSA-N 1 1 279.428 2.657 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000868576517 638957973 /nfs/dbraw/zinc/95/79/73/638957973.db2.gz PKQYCSAYBZWBMA-GDBMZVCRSA-N 1 1 287.407 2.827 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000868576517 638957974 /nfs/dbraw/zinc/95/79/74/638957974.db2.gz PKQYCSAYBZWBMA-GDBMZVCRSA-N 1 1 287.407 2.827 20 30 CFEDMO C=CCCC(C)(C)CNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868859131 638986864 /nfs/dbraw/zinc/98/68/64/638986864.db2.gz BJGNFCVIKVTPCY-LSDHHAIUSA-N 1 1 293.455 2.714 20 30 CFEDMO CCCCCCCC[N@@H+](C)C1(CO)CCOCC1 ZINC000190993319 650473277 /nfs/dbraw/zinc/47/32/77/650473277.db2.gz XWZOASYSYGTOPV-UHFFFAOYSA-N 1 1 257.418 2.820 20 30 CFEDMO C=CCCOCC(=O)OCc1c(C)cc(C)[nH+]c1C ZINC000869368773 639198524 /nfs/dbraw/zinc/19/85/24/639198524.db2.gz MQCBNQZVFOYEOB-UHFFFAOYSA-N 1 1 263.337 2.643 20 30 CFEDMO CC(C)C#CC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000869802149 639408716 /nfs/dbraw/zinc/40/87/16/639408716.db2.gz QCQFHBLJBAFKNO-FUHWJXTLSA-N 1 1 298.430 2.530 20 30 CFEDMO C=C(Br)C[N@@H+](C)[C@@H](C)CCSC ZINC000122949874 639519450 /nfs/dbraw/zinc/51/94/50/639519450.db2.gz NVTVNELOKLDCET-VIFPVBQESA-N 1 1 252.221 2.968 20 30 CFEDMO C=C(Br)C[N@H+](C)[C@@H](C)CCSC ZINC000122949874 639519461 /nfs/dbraw/zinc/51/94/61/639519461.db2.gz NVTVNELOKLDCET-VIFPVBQESA-N 1 1 252.221 2.968 20 30 CFEDMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)CCCCC#N)CC1 ZINC000870121348 639521410 /nfs/dbraw/zinc/52/14/10/639521410.db2.gz OOZSWAMSVNUQRZ-INIZCTEOSA-N 1 1 299.418 2.976 20 30 CFEDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000870122209 639521759 /nfs/dbraw/zinc/52/17/59/639521759.db2.gz GXCUPXXWNPDELX-OAHLLOKOSA-N 1 1 299.418 2.832 20 30 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C=CC[N@@H+]1CC[C@H](N(C)C(=O)C2CCC3(CC3)CC2)C1 ZINC001033276130 780638158 /nfs/dbraw/zinc/63/81/58/780638158.db2.gz RQFRWRASIBRQCJ-HNNXBMFYSA-N 1 1 276.424 2.676 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2C2CC2)C1 ZINC001033296306 780643060 /nfs/dbraw/zinc/64/30/60/780643060.db2.gz SPZLUDBMLJDGFZ-MRXNPFEDSA-N 1 1 296.414 2.652 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C3CCC3)CCC2)C1 ZINC001033299952 780644780 /nfs/dbraw/zinc/64/47/80/780644780.db2.gz HDSCTMLDVANRCY-OAHLLOKOSA-N 1 1 276.424 2.676 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccoc2C2CC2)C1 ZINC001033363580 780665465 /nfs/dbraw/zinc/66/54/65/780665465.db2.gz JSNWGCKTEMTOFA-AWEZNQCLSA-N 1 1 288.391 2.879 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc(C)n2)C1 ZINC001033364839 780666154 /nfs/dbraw/zinc/66/61/54/780666154.db2.gz IUCSIJMJPNYPMG-CYBMUJFWSA-N 1 1 293.436 2.564 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)CC2CC(C)(C)C2)C1 ZINC001033355273 780666226 /nfs/dbraw/zinc/66/62/26/780666226.db2.gz 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ZINC001033447538 780685054 /nfs/dbraw/zinc/68/50/54/780685054.db2.gz WZNKZODCPVEFCY-CQSZACIVSA-N 1 1 290.382 2.857 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)ccc2Cl)C1 ZINC001033446827 780685414 /nfs/dbraw/zinc/68/54/14/780685414.db2.gz NJWFIWZSWWDIFF-LBPRGKRZSA-N 1 1 296.773 2.811 20 30 CFEDMO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc(Cl)c2)C1 ZINC001033470801 780690142 /nfs/dbraw/zinc/69/01/42/780690142.db2.gz DHCFLFSMAJHDHI-LBPRGKRZSA-N 1 1 296.823 2.571 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](N(C)C(=O)c2csc(Cl)c2)C1 ZINC001033470801 780690148 /nfs/dbraw/zinc/69/01/48/780690148.db2.gz DHCFLFSMAJHDHI-LBPRGKRZSA-N 1 1 296.823 2.571 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001033487511 780691912 /nfs/dbraw/zinc/69/19/12/780691912.db2.gz HLPLPLAIQNKQIB-CABCVRRESA-N 1 1 290.407 2.800 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033486408 780692292 /nfs/dbraw/zinc/69/22/92/780692292.db2.gz VRKOTUMPBSVJCF-KSZLIROESA-N 1 1 298.430 2.899 20 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ZINC001033604679 780728288 /nfs/dbraw/zinc/72/82/88/780728288.db2.gz DSHIWQYBFFKUFK-HNNXBMFYSA-N 1 1 290.382 2.857 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC001033608469 780728302 /nfs/dbraw/zinc/72/83/02/780728302.db2.gz GDXAIXXZTDKTKC-KRWDZBQOSA-N 1 1 298.430 2.764 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001033677922 780746542 /nfs/dbraw/zinc/74/65/42/780746542.db2.gz FGATXVYLYFUUAF-RDJZCZTQSA-N 1 1 276.424 2.842 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)CC=C(C)CC2)C1 ZINC001033677923 780746978 /nfs/dbraw/zinc/74/69/78/780746978.db2.gz FGATXVYLYFUUAF-WBVHZDCISA-N 1 1 276.424 2.842 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2ccccc2C)C1 ZINC001033677919 780747522 /nfs/dbraw/zinc/74/75/22/780747522.db2.gz FFMCXNMZYAXPNV-SJORKVTESA-N 1 1 298.430 2.655 20 30 CFEDMO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc3cccc(C)c3o2)C1 ZINC001033684977 780749002 /nfs/dbraw/zinc/74/90/02/780749002.db2.gz JWUFVXPYQZLCFS-OAHLLOKOSA-N 1 1 296.370 2.521 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc3cccc(C)c3o2)C1 ZINC001033684977 780749007 /nfs/dbraw/zinc/74/90/07/780749007.db2.gz JWUFVXPYQZLCFS-OAHLLOKOSA-N 1 1 296.370 2.521 20 30 CFEDMO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001033698014 780752049 /nfs/dbraw/zinc/75/20/49/780752049.db2.gz MAIMXABYUMCGDN-WMZOPIPTSA-N 1 1 288.435 2.679 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)CCC(C)=C(C)C2)C1 ZINC001033698014 780752054 /nfs/dbraw/zinc/75/20/54/780752054.db2.gz MAIMXABYUMCGDN-WMZOPIPTSA-N 1 1 288.435 2.679 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC3CCC2CC3)C1 ZINC001033691266 780754790 /nfs/dbraw/zinc/75/47/90/780754790.db2.gz LIINZBJHEUKFEP-BACDZXNISA-N 1 1 290.451 2.922 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](N(C)C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001033708236 780756031 /nfs/dbraw/zinc/75/60/31/780756031.db2.gz WGUVQAHBYGGPPG-AWEZNQCLSA-N 1 1 290.451 2.615 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C2CC(C(C)(C)C)C2)C1 ZINC001033706716 780756190 /nfs/dbraw/zinc/75/61/90/780756190.db2.gz XBQIKXHRBXCBKZ-GPANFISMSA-N 1 1 290.451 2.615 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C2(C)C(C)(C)C2(C)C)C1 ZINC001033716163 780762346 /nfs/dbraw/zinc/76/23/46/780762346.db2.gz TWRYSZKXUQJEKG-AWEZNQCLSA-N 1 1 290.451 2.615 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2cncc(C)c2)C1 ZINC001033781203 780784213 /nfs/dbraw/zinc/78/42/13/780784213.db2.gz PQKSLCOMZIBXKF-INIZCTEOSA-N 1 1 287.407 2.503 20 30 CFEDMO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001033788619 780787159 /nfs/dbraw/zinc/78/71/59/780787159.db2.gz INRJMSWWHRBICO-AWEZNQCLSA-N 1 1 290.451 2.615 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC(C)C2)C1 ZINC001033790672 780790306 /nfs/dbraw/zinc/79/03/06/780790306.db2.gz DLTSSYOBMXURGE-YMAMQOFZSA-N 1 1 264.413 2.531 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC2(C)C)C1 ZINC001033797851 780793390 /nfs/dbraw/zinc/79/33/90/780793390.db2.gz HQXOQHYMOMUNIT-KGLIPLIRSA-N 1 1 264.413 2.531 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)cs2)C1 ZINC001033830660 780800355 /nfs/dbraw/zinc/80/03/55/780800355.db2.gz SFYPUWPVBMZWOS-CYBMUJFWSA-N 1 1 278.421 2.779 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C2C=CC=CC=C2)C1 ZINC001033841697 780803029 /nfs/dbraw/zinc/80/30/29/780803029.db2.gz BXRQUDQPLROMBH-KRWDZBQOSA-N 1 1 286.419 2.784 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC2(F)F)C1 ZINC001033872630 780813731 /nfs/dbraw/zinc/81/37/31/780813731.db2.gz NGZODCFWTOAJGA-STQMWFEESA-N 1 1 286.366 2.531 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2[nH]c(C)cc2C)C1 ZINC001033878002 780813884 /nfs/dbraw/zinc/81/38/84/780813884.db2.gz HGQNTDXUNXYVLN-HNNXBMFYSA-N 1 1 289.423 2.744 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCC23CC3)C1 ZINC001033874515 780815675 /nfs/dbraw/zinc/81/56/75/780815675.db2.gz ZXEYZCCHSBQHQL-JKSUJKDBSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[C@@H]3C[C@@H]3CC2)C1 ZINC001033909747 780824620 /nfs/dbraw/zinc/82/46/20/780824620.db2.gz ZVMLAUSFGPMBFB-YVSFHVDLSA-N 1 1 290.451 2.922 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033927871 780826414 /nfs/dbraw/zinc/82/64/14/780826414.db2.gz UKMBUZRLBNRDAU-HNNXBMFYSA-N 1 1 276.424 2.676 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc3[nH]ccc32)C1 ZINC001033962710 780846200 /nfs/dbraw/zinc/84/62/00/780846200.db2.gz YKLYIOHDHJOUCP-AWEZNQCLSA-N 1 1 297.402 2.890 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001033985058 780847603 /nfs/dbraw/zinc/84/76/03/780847603.db2.gz GNTBPEBSIZOWCQ-YESZJQIVSA-N 1 1 290.451 2.922 20 30 CFEDMO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)c2csc(Cl)c2)C1 ZINC001033981074 780849061 /nfs/dbraw/zinc/84/90/61/780849061.db2.gz OVLWMYXFRLEEFP-GFCCVEGCSA-N 1 1 296.823 2.571 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2csc(Cl)c2)C1 ZINC001033981074 780849062 /nfs/dbraw/zinc/84/90/62/780849062.db2.gz OVLWMYXFRLEEFP-GFCCVEGCSA-N 1 1 296.823 2.571 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2ccnc(C)c2)C1 ZINC001033993399 780850877 /nfs/dbraw/zinc/85/08/77/780850877.db2.gz WFRIVSRPKPXADV-INIZCTEOSA-N 1 1 287.407 2.503 20 30 CFEDMO C#CC[N@H+]1CC[C@H](N(CC)C(=O)c2cccc(Cl)c2)C1 ZINC001034029100 780859435 /nfs/dbraw/zinc/85/94/35/780859435.db2.gz JIFFBGUJKYCCHP-HNNXBMFYSA-N 1 1 290.794 2.510 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccc(Cl)c2)C1 ZINC001034029100 780859440 /nfs/dbraw/zinc/85/94/40/780859440.db2.gz JIFFBGUJKYCCHP-HNNXBMFYSA-N 1 1 290.794 2.510 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)cc(C)c2)C1 ZINC001034026797 780859569 /nfs/dbraw/zinc/85/95/69/780859569.db2.gz VRYYFWWCOIZOMY-GOSISDBHSA-N 1 1 298.430 2.863 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2C)C1 ZINC001034076300 780879124 /nfs/dbraw/zinc/87/91/24/780879124.db2.gz NFYXUCYFLOYHTM-CYBMUJFWSA-N 1 1 278.421 2.827 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccc(Cl)o2)C1 ZINC001034104447 780892791 /nfs/dbraw/zinc/89/27/91/780892791.db2.gz JPSNZJZXHJYFKR-GFCCVEGCSA-N 1 1 294.782 2.541 20 30 CFEDMO CC(C)C(=O)N[C@@H]1CCCC[N@H+](CC#Cc2ccccc2)C1 ZINC001034113016 780897871 /nfs/dbraw/zinc/89/78/71/780897871.db2.gz FEWJGIMHOLLJPA-GOSISDBHSA-N 1 1 298.430 2.665 20 30 CFEDMO CC(C)C(=O)N[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001034113016 780897879 /nfs/dbraw/zinc/89/78/79/780897879.db2.gz FEWJGIMHOLLJPA-GOSISDBHSA-N 1 1 298.430 2.665 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)CC2CCC2)C1 ZINC001034141364 780900508 /nfs/dbraw/zinc/90/05/08/780900508.db2.gz GGKMIZLGDFNIQS-AWEZNQCLSA-N 1 1 284.831 2.900 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)CC2CCC2)C1 ZINC001034141364 780900511 /nfs/dbraw/zinc/90/05/11/780900511.db2.gz GGKMIZLGDFNIQS-AWEZNQCLSA-N 1 1 284.831 2.900 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2cscn2)C1 ZINC001034142598 780901695 /nfs/dbraw/zinc/90/16/95/780901695.db2.gz PZULSWMMELBEDV-CYBMUJFWSA-N 1 1 293.436 2.694 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccsc1C(=O)OC)C(C)(C)C ZINC000702278265 780906294 /nfs/dbraw/zinc/90/62/94/780906294.db2.gz NXHOYDMXEPHVKL-NSHDSACASA-N 1 1 265.378 2.672 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001034152478 780909708 /nfs/dbraw/zinc/90/97/08/780909708.db2.gz VPQMXEDCDDROPR-YMAMQOFZSA-N 1 1 264.413 2.579 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001034168339 780913414 /nfs/dbraw/zinc/91/34/14/780913414.db2.gz TWTSVRQXPMNVPQ-JKSUJKDBSA-N 1 1 289.423 2.596 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001034194518 780921608 /nfs/dbraw/zinc/92/16/08/780921608.db2.gz LIAUMYLVOBEIRD-HNNXBMFYSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2[nH]ccc2C2CC2)C1 ZINC001034238496 780931244 /nfs/dbraw/zinc/93/12/44/780931244.db2.gz IYXZDXUKFCSPQV-CQSZACIVSA-N 1 1 287.407 2.662 20 30 CFEDMO C#CC[N@H+]1CCCC[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001034256449 780932030 /nfs/dbraw/zinc/93/20/30/780932030.db2.gz JOYADXJROZYJSR-LLVKDONJSA-N 1 1 296.823 2.619 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001034256449 780932033 /nfs/dbraw/zinc/93/20/33/780932033.db2.gz JOYADXJROZYJSR-LLVKDONJSA-N 1 1 296.823 2.619 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)C2CCCC2)C1 ZINC001034244329 780932066 /nfs/dbraw/zinc/93/20/66/780932066.db2.gz YBTVELWYROIBLG-INIZCTEOSA-N 1 1 290.451 2.807 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)C2CCC2)C1 ZINC001034268396 780935106 /nfs/dbraw/zinc/93/51/06/780935106.db2.gz JADOWUUBQZVWLD-HOCLYGCPSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034265371 780935325 /nfs/dbraw/zinc/93/53/25/780935325.db2.gz KHSSBVWYZVDCSN-UKRRQHHQSA-N 1 1 264.413 2.579 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)C2CCC2)C1 ZINC001034268397 780935802 /nfs/dbraw/zinc/93/58/02/780935802.db2.gz JADOWUUBQZVWLD-ZBFHGGJFSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001034307954 780943219 /nfs/dbraw/zinc/94/32/19/780943219.db2.gz PPEHKVPEVAOKLK-JTQLQIEISA-N 1 1 299.827 2.567 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001034307954 780943224 /nfs/dbraw/zinc/94/32/24/780943224.db2.gz PPEHKVPEVAOKLK-JTQLQIEISA-N 1 1 299.827 2.567 20 30 CFEDMO N#Cc1ccc(C2=CC[N@@H+](Cc3ccccc3)CC2)nn1 ZINC001241499625 780944470 /nfs/dbraw/zinc/94/44/70/780944470.db2.gz CUIOEZLNBPCGBD-UHFFFAOYSA-N 1 1 276.343 2.638 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CCC2(C)C)C1 ZINC001034353120 780948263 /nfs/dbraw/zinc/94/82/63/780948263.db2.gz VFQLAPCDPJHCPC-LSDHHAIUSA-N 1 1 278.440 2.969 20 30 CFEDMO C#Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](CCC)C2)cc1 ZINC001034345296 780951519 /nfs/dbraw/zinc/95/15/19/780951519.db2.gz QLDIBBCOLFSUHK-KRWDZBQOSA-N 1 1 284.403 2.662 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001034358579 780952098 /nfs/dbraw/zinc/95/20/98/780952098.db2.gz MAVIGSWBOAMPDE-FXUDXRNXSA-N 1 1 276.424 2.579 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cc[nH]c2CCC)C1 ZINC001034361413 780958390 /nfs/dbraw/zinc/95/83/90/780958390.db2.gz ZTWRCSQCRNHVJC-AWEZNQCLSA-N 1 1 289.423 2.738 20 30 CFEDMO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](CC)C2)CC1 ZINC001034382141 780961088 /nfs/dbraw/zinc/96/10/88/780961088.db2.gz PGNMQRZJIZSJCX-HNNXBMFYSA-N 1 1 264.413 2.723 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(Cl)[nH]2)C1 ZINC001034380540 780961667 /nfs/dbraw/zinc/96/16/67/780961667.db2.gz JYHPXXRBZBLRIX-LBPRGKRZSA-N 1 1 295.814 2.829 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2occc2Cl)C1 ZINC001034387936 780962407 /nfs/dbraw/zinc/96/24/07/780962407.db2.gz YFDDLAMQBJYWRV-LBPRGKRZSA-N 1 1 294.782 2.541 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)Cc2occc2C)C1 ZINC001034389218 780964279 /nfs/dbraw/zinc/96/42/79/780964279.db2.gz KNPRNFVDXCQYKN-HNNXBMFYSA-N 1 1 290.407 2.677 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2cccc3cc[nH]c32)C1 ZINC001034408101 780965295 /nfs/dbraw/zinc/96/52/95/780965295.db2.gz HSHPNLDVWZGUGY-HNNXBMFYSA-N 1 1 297.402 2.938 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001034429383 780969817 /nfs/dbraw/zinc/96/98/17/780969817.db2.gz VZBHBCKFRRIMEU-KSZLIROESA-N 1 1 298.430 2.947 20 30 CFEDMO C=Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](CC#CC)C2)cc1 ZINC001034417760 780971211 /nfs/dbraw/zinc/97/12/11/780971211.db2.gz IVSHEYPHXVPYSZ-SFHVURJKSA-N 1 1 296.414 2.937 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2sccc2OC)C1 ZINC001034497767 780983657 /nfs/dbraw/zinc/98/36/57/780983657.db2.gz GPUKFRDILVYYGH-GFCCVEGCSA-N 1 1 294.420 2.527 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001034496300 780983765 /nfs/dbraw/zinc/98/37/65/780983765.db2.gz QQDUVYWOJISHNN-CYBMUJFWSA-N 1 1 252.402 2.579 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H](C)c2ccccc2)C1 ZINC001034494293 780984103 /nfs/dbraw/zinc/98/41/03/780984103.db2.gz VALPEULJAMDBPG-FUHWJXTLSA-N 1 1 298.430 2.784 20 30 CFEDMO C[N@H+]1CCC=C(c2cnc(C#N)c(C(F)(F)F)c2)C1 ZINC001241571313 780987690 /nfs/dbraw/zinc/98/76/90/780987690.db2.gz 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780995210 /nfs/dbraw/zinc/99/52/10/780995210.db2.gz WYYLDURSAXJHFH-CQSZACIVSA-N 1 1 292.448 2.756 20 30 CFEDMO N#Cc1cc(F)cc(-c2cc(-n3ccnc3)cc[nH+]2)c1 ZINC001241655655 781050011 /nfs/dbraw/zinc/05/00/11/781050011.db2.gz XHPZJNVGLAAYDC-UHFFFAOYSA-N 1 1 264.263 2.945 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)c1cc(CCC)c(C)s1 ZINC000704319975 781095083 /nfs/dbraw/zinc/09/50/83/781095083.db2.gz YMKZDCITZDBWQB-UHFFFAOYSA-N 1 1 292.448 2.694 20 30 CFEDMO CCCCCCCC[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000704379998 781099400 /nfs/dbraw/zinc/09/94/00/781099400.db2.gz GZQUCWMHUBDJLK-IYBDPMFKSA-N 1 1 271.445 2.660 20 30 CFEDMO CC#CC[N@H+]1CCC2(C1)CCN(C(=O)CCC1CC1)CC2 ZINC001035168956 781121827 /nfs/dbraw/zinc/12/18/27/781121827.db2.gz RARJJZGFMQEBMR-UHFFFAOYSA-N 1 1 288.435 2.514 20 30 CFEDMO C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)/C(C)=C/C)CC2 ZINC001035172923 781123131 /nfs/dbraw/zinc/12/31/31/781123131.db2.gz STVHZRSIPVIWCL-PJQLUOCWSA-N 1 1 276.424 2.843 20 30 CFEDMO C=CC[N@@H+]1CCC2(C1)CCN(C(=O)c1ncccc1C)CC2 ZINC001035174668 781123419 /nfs/dbraw/zinc/12/34/19/781123419.db2.gz CETVPVVHQHHRET-UHFFFAOYSA-N 1 1 299.418 2.504 20 30 CFEDMO C=CCC[N@H+]1CCC2(C1)CCN(C(=O)/C=C\C1CC1)CC2 ZINC001035173300 781123736 /nfs/dbraw/zinc/12/37/36/781123736.db2.gz ZQGWYWHGXLBBKM-SREVYHEPSA-N 1 1 288.435 2.843 20 30 CFEDMO C=CC[N@H+]1CCC2(C1)CCN(C(=O)Cc1ccccc1)CC2 ZINC001035198581 781126529 /nfs/dbraw/zinc/12/65/29/781126529.db2.gz OKZXUAOLGOWXKB-UHFFFAOYSA-N 1 1 298.430 2.730 20 30 CFEDMO CC#CC[N@H+]1CCC2(C1)CCN(C(=O)CC1(C)CC1)CC2 ZINC001035210299 781131008 /nfs/dbraw/zinc/13/10/08/781131008.db2.gz RAPSEBRRZIBTDE-UHFFFAOYSA-N 1 1 288.435 2.514 20 30 CFEDMO C=CC[N@H+]1CCC2(C1)CCN(C(=O)[C@]13C[C@H]1CCC3)CC2 ZINC001035208275 781131220 /nfs/dbraw/zinc/13/12/20/781131220.db2.gz TUNOSDOHULRQMT-CRAIPNDOSA-N 1 1 288.435 2.677 20 30 CFEDMO C=C(C)C[N@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC13CC3)CC2 ZINC001035232713 781133816 /nfs/dbraw/zinc/13/38/16/781133816.db2.gz FJVNWZWNAROAIY-HNNXBMFYSA-N 1 1 288.435 2.677 20 30 CFEDMO 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JJOQKWALPUWMFS-ARFHVFGLSA-N 1 1 291.439 2.649 20 30 CFEDMO COc1ccc(C[N@H+](C)Cc2ccc(C#N)cn2)cc1OC ZINC000593941283 349336804 /nfs/dbraw/zinc/33/68/04/349336804.db2.gz IOLIKCVQHGRCSH-UHFFFAOYSA-N 1 1 297.358 2.602 20 30 CFEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)cn2)cc1OC ZINC000593941283 349336806 /nfs/dbraw/zinc/33/68/06/349336806.db2.gz IOLIKCVQHGRCSH-UHFFFAOYSA-N 1 1 297.358 2.602 20 30 CFEDMO CC[N@@H+]1CCc2nc(NC(=O)CCCCC#N)sc2C1 ZINC000593942630 349336886 /nfs/dbraw/zinc/33/68/86/349336886.db2.gz VHKMBDVJGQUYRI-UHFFFAOYSA-N 1 1 292.408 2.544 20 30 CFEDMO CC[N@H+]1CCc2nc(NC(=O)CCCCC#N)sc2C1 ZINC000593942630 349336889 /nfs/dbraw/zinc/33/68/89/349336889.db2.gz VHKMBDVJGQUYRI-UHFFFAOYSA-N 1 1 292.408 2.544 20 30 CFEDMO N#CCCCC[C@@H]([NH3+])c1nc(Cc2cccc(F)c2)no1 ZINC000593943155 349337235 /nfs/dbraw/zinc/33/72/35/349337235.db2.gz KELVMMZUQWWYAF-CYBMUJFWSA-N 1 1 288.326 2.883 20 30 CFEDMO Cc1cccc(C[NH+]2CCN(C(=O)CCCCC#N)CC2)c1 ZINC000593948799 349338564 /nfs/dbraw/zinc/33/85/64/349338564.db2.gz QKFMMYIVGZWOAA-UHFFFAOYSA-N 1 1 299.418 2.723 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)nc1 ZINC000593975579 349343172 /nfs/dbraw/zinc/34/31/72/349343172.db2.gz DVGIZBXAZLCOFM-KRWDZBQOSA-N 1 1 297.333 2.746 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)nc1 ZINC000593975579 349343178 /nfs/dbraw/zinc/34/31/78/349343178.db2.gz DVGIZBXAZLCOFM-KRWDZBQOSA-N 1 1 297.333 2.746 20 30 CFEDMO C[N@@H+](CCCC#N)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000594034301 349358557 /nfs/dbraw/zinc/35/85/57/349358557.db2.gz ARZIBCPFSSKSKM-UHFFFAOYSA-N 1 1 268.263 2.744 20 30 CFEDMO Cc1cc(C[N@H+]2CCCCC[C@H]2CO)ccc1C#N ZINC000594017184 349354259 /nfs/dbraw/zinc/35/42/59/349354259.db2.gz TXDZHIIPGLWYKI-INIZCTEOSA-N 1 1 258.365 2.604 20 30 CFEDMO N#CC1(C[NH2+]Cc2cnc(C3CC3)nc2)CCCC1 ZINC000593654574 349304933 /nfs/dbraw/zinc/30/49/33/349304933.db2.gz IOVZKCQEDUJHBL-UHFFFAOYSA-N 1 1 256.353 2.528 20 30 CFEDMO COCCOc1ccccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593653027 349305169 /nfs/dbraw/zinc/30/51/69/349305169.db2.gz XOCPEQYVXZWFQK-UHFFFAOYSA-N 1 1 288.391 2.885 20 30 CFEDMO N#CC1(C[NH2+]Cc2cccc3nccn32)CCCC1 ZINC000593653645 349305214 /nfs/dbraw/zinc/30/52/14/349305214.db2.gz UTGWKMSNWOTPRC-UHFFFAOYSA-N 1 1 254.337 2.508 20 30 CFEDMO C[N@@H+](CCN1CCCCC1)CC(C)(C)CCC#N ZINC000593703402 349313283 /nfs/dbraw/zinc/31/32/83/349313283.db2.gz TYOPCCWKHURLEE-UHFFFAOYSA-N 1 1 251.418 2.734 20 30 CFEDMO CN(CC[NH+]1CCCCC1)CC(C)(C)CCC#N ZINC000593703402 349313285 /nfs/dbraw/zinc/31/32/85/349313285.db2.gz TYOPCCWKHURLEE-UHFFFAOYSA-N 1 1 251.418 2.734 20 30 CFEDMO COCC1(C[N@H+]2Cc3ccc(C#N)cc3C2)CCC1 ZINC000594028653 349356524 /nfs/dbraw/zinc/35/65/24/349356524.db2.gz SBJUIHDRZMFZJY-UHFFFAOYSA-N 1 1 256.349 2.691 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CCCCC#N)C1 ZINC000594258849 349401309 /nfs/dbraw/zinc/40/13/09/349401309.db2.gz SHSTXBQSVIEISO-XHSDSOJGSA-N 1 1 291.439 2.934 20 30 CFEDMO CC(C)C[C@H](C#N)NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 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N#CC1(c2ccc(C[N@H+]3CCC34CCOCC4)cc2)CC1 ZINC000597116748 350031759 /nfs/dbraw/zinc/03/17/59/350031759.db2.gz IXKNGAJKBGKMDY-UHFFFAOYSA-N 1 1 282.387 2.997 20 30 CFEDMO CC(C)[N@H+](CCC#N)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000596987276 350012220 /nfs/dbraw/zinc/01/22/20/350012220.db2.gz KHNQJTKWWJUXMM-KRWDZBQOSA-N 1 1 288.391 2.978 20 30 CFEDMO CC(C)[N@@H+](CCC#N)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000596987276 350012224 /nfs/dbraw/zinc/01/22/24/350012224.db2.gz KHNQJTKWWJUXMM-KRWDZBQOSA-N 1 1 288.391 2.978 20 30 CFEDMO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596984314 350012407 /nfs/dbraw/zinc/01/24/07/350012407.db2.gz MBCRCTNMPLYXEV-UHFFFAOYSA-N 1 1 299.418 2.542 20 30 CFEDMO CCN(CC)C(=O)C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596984314 350012411 /nfs/dbraw/zinc/01/24/11/350012411.db2.gz MBCRCTNMPLYXEV-UHFFFAOYSA-N 1 1 299.418 2.542 20 30 CFEDMO C[C@H](C#N)C[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596992835 350013123 /nfs/dbraw/zinc/01/31/23/350013123.db2.gz UPVYGUKDTQDBGL-CYBMUJFWSA-N 1 1 253.349 2.833 20 30 CFEDMO C[C@H](C#N)C[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596992835 350013127 /nfs/dbraw/zinc/01/31/27/350013127.db2.gz UPVYGUKDTQDBGL-CYBMUJFWSA-N 1 1 253.349 2.833 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCCO1 ZINC000596999288 350014527 /nfs/dbraw/zinc/01/45/27/350014527.db2.gz VAYMKJLUMUQQRF-AWEZNQCLSA-N 1 1 270.376 2.853 20 30 CFEDMO N#CC1(c2ccc(C[N@H+]3CCOC4(CCC4)C3)cc2)CC1 ZINC000597012415 350015857 /nfs/dbraw/zinc/01/58/57/350015857.db2.gz TWIVWGJMERESEI-UHFFFAOYSA-N 1 1 282.387 2.997 20 30 CFEDMO C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000597079885 350025427 /nfs/dbraw/zinc/02/54/27/350025427.db2.gz IVKAXEYEYWTCEV-HOCLYGCPSA-N 1 1 284.403 2.835 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(O[C@H](C)COC)cc1 ZINC000597086192 350028243 /nfs/dbraw/zinc/02/82/43/350028243.db2.gz JGLYTYHTBRKGIS-HIFRSBDPSA-N 1 1 276.380 2.882 20 30 CFEDMO CC#CC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271222708 191012457 /nfs/dbraw/zinc/01/24/57/191012457.db2.gz 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ZINC000597177558 350045612 /nfs/dbraw/zinc/04/56/12/350045612.db2.gz PFGVHOJRSMFVCA-CQSZACIVSA-N 1 1 260.385 2.665 20 30 CFEDMO N#CC1(c2ccc(C[N@@H+]3CCC[C@](O)(C4CC4)C3)cc2)CC1 ZINC000597203992 350055151 /nfs/dbraw/zinc/05/51/51/350055151.db2.gz BOPKRPXTHIBPBQ-LJQANCHMSA-N 1 1 296.414 2.979 20 30 CFEDMO C[C@]12COC[C@H]1C[N@@H+](Cc1ccc(C3(C#N)CC3)cc1)C2 ZINC000597210955 350056774 /nfs/dbraw/zinc/05/67/74/350056774.db2.gz JBAXZOZFXWMGAD-SJORKVTESA-N 1 1 282.387 2.710 20 30 CFEDMO Cn1cc(-c2ccc(C[N@@H+]3CC[C@@](C)(C#N)C3)s2)cn1 ZINC000597229555 350063574 /nfs/dbraw/zinc/06/35/74/350063574.db2.gz CMZXEBNFEISKFA-HNNXBMFYSA-N 1 1 286.404 2.884 20 30 CFEDMO Cn1cc(-c2ccc(C[N@H+]3CC[C@@](C)(C#N)C3)s2)cn1 ZINC000597229555 350063579 /nfs/dbraw/zinc/06/35/79/350063579.db2.gz CMZXEBNFEISKFA-HNNXBMFYSA-N 1 1 286.404 2.884 20 30 CFEDMO COC[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000597231362 350064960 /nfs/dbraw/zinc/06/49/60/350064960.db2.gz LWFUAVHVSMVDME-PBHICJAKSA-N 1 1 288.391 2.836 20 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CC(C)C[C@H]([NH2+]C[C@@H](C)CCC#N)C(=O)OC(C)C ZINC000602634125 350954016 /nfs/dbraw/zinc/95/40/16/350954016.db2.gz MLYDBHCFEJMPLT-KBPBESRZSA-N 1 1 268.401 2.882 20 30 CFEDMO C=C(C)C[C@H]([NH2+]C1CCC2(CCOCC2)CC1)C(=O)OC ZINC000602735360 351007151 /nfs/dbraw/zinc/00/71/51/351007151.db2.gz VWLHSXSRMQRSOT-HNNXBMFYSA-N 1 1 295.423 2.823 20 30 CFEDMO C[C@@H](O)C[N@@H+](CC1(CC#N)CC1)C1CCCCC1 ZINC000602773973 351020357 /nfs/dbraw/zinc/02/03/57/351020357.db2.gz ZQLJYIAYWBGIMK-CYBMUJFWSA-N 1 1 250.386 2.696 20 30 CFEDMO COc1ccccc1CC[N@@H+](C)CC1(CC#N)CC1 ZINC000602773465 351020521 /nfs/dbraw/zinc/02/05/21/351020521.db2.gz UFMMVZOHKGHZNX-UHFFFAOYSA-N 1 1 258.365 2.863 20 30 CFEDMO COCC[N@H+](Cc1ccc(C)o1)CC1(CC#N)CC1 ZINC000602789662 351025824 /nfs/dbraw/zinc/02/58/24/351025824.db2.gz XVVLZKVUZRNXRN-UHFFFAOYSA-N 1 1 262.353 2.730 20 30 CFEDMO COCC[N@@H+](Cc1ccc(C)o1)CC1(CC#N)CC1 ZINC000602789662 351025827 /nfs/dbraw/zinc/02/58/27/351025827.db2.gz XVVLZKVUZRNXRN-UHFFFAOYSA-N 1 1 262.353 2.730 20 30 CFEDMO C[C@H]1COc2ccccc2C[N@H+]1CC1(CC#N)CC1 ZINC000602807204 351032569 /nfs/dbraw/zinc/03/25/69/351032569.db2.gz WAYVLOGZQVMMCT-ZDUSSCGKSA-N 1 1 256.349 2.963 20 30 CFEDMO N#CCC[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000602816372 351036081 /nfs/dbraw/zinc/03/60/81/351036081.db2.gz IHQRHSPACOYWGK-AWEZNQCLSA-N 1 1 268.364 2.662 20 30 CFEDMO CN(C(=O)[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C1)c1ccccc1 ZINC000602828905 351039078 /nfs/dbraw/zinc/03/90/78/351039078.db2.gz SYPCMXJGFSYHHM-OAHLLOKOSA-N 1 1 297.402 2.665 20 30 CFEDMO N#CCC1(C[N@H+]2CCC[C@H](c3ccccn3)C2)CC1 ZINC000602838034 351041258 /nfs/dbraw/zinc/04/12/58/351041258.db2.gz DVSAOTUKQUYSMB-AWEZNQCLSA-N 1 1 255.365 2.955 20 30 CFEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602853173 351045793 /nfs/dbraw/zinc/04/57/93/351045793.db2.gz HXWQKZMASLUQCS-HNNXBMFYSA-N 1 1 278.359 2.728 20 30 CFEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602853173 351045795 /nfs/dbraw/zinc/04/57/95/351045795.db2.gz HXWQKZMASLUQCS-HNNXBMFYSA-N 1 1 278.359 2.728 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853820 351046446 /nfs/dbraw/zinc/04/64/46/351046446.db2.gz MCCDBLBIZPUGDQ-QLFBSQMISA-N 1 1 282.391 2.537 20 30 CFEDMO C[C@@H]1CC[N@@H+](CC2(CC#N)CC2)C[C@H]1C(=O)OC(C)(C)C ZINC000602857423 351047739 /nfs/dbraw/zinc/04/77/39/351047739.db2.gz WQCZNVWAWJRXOH-ZIAGYGMSSA-N 1 1 292.423 2.980 20 30 CFEDMO C[C@H](CC#N)[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000602868630 351053235 /nfs/dbraw/zinc/05/32/35/351053235.db2.gz JXFMZYBKMSKASE-ZYHUDNBSSA-N 1 1 286.297 2.501 20 30 CFEDMO C[C@H](CC#N)[NH2+]CCSc1ccc(F)cc1F ZINC000602871725 351054019 /nfs/dbraw/zinc/05/40/19/351054019.db2.gz VIBJBRPOVNOAJR-SECBINFHSA-N 1 1 256.321 2.949 20 30 CFEDMO C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000602883734 351056852 /nfs/dbraw/zinc/05/68/52/351056852.db2.gz LWUSPNPEYYIZQH-PMPSAXMXSA-N 1 1 299.418 2.878 20 30 CFEDMO C[C@@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC#N)C1)c1ccccc1 ZINC000602883734 351056857 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ZINC000603078304 351101649 /nfs/dbraw/zinc/10/16/49/351101649.db2.gz LYHPXLKQBFJVEQ-UHFFFAOYSA-N 1 1 292.358 2.551 20 30 CFEDMO CN(CCCC[NH+]1CCCCC1)Cc1ccnc(C#N)c1 ZINC000603109706 351105076 /nfs/dbraw/zinc/10/50/76/351105076.db2.gz FEPJXSXMHSRTME-UHFFFAOYSA-N 1 1 286.423 2.651 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)n1cc(C[NH+]2CCCCC2)nn1 ZINC000603237764 351123909 /nfs/dbraw/zinc/12/39/09/351123909.db2.gz XJAWYHLGPUONQQ-AWEZNQCLSA-N 1 1 295.390 2.745 20 30 CFEDMO COC(=O)c1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602974445 351075413 /nfs/dbraw/zinc/07/54/13/351075413.db2.gz OIDDIDAAWOXTMT-LSDHHAIUSA-N 1 1 272.348 2.597 20 30 CFEDMO COC(=O)c1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c1 ZINC000602974445 351075416 /nfs/dbraw/zinc/07/54/16/351075416.db2.gz OIDDIDAAWOXTMT-LSDHHAIUSA-N 1 1 272.348 2.597 20 30 CFEDMO COc1ccc(CC[N@@H+](C)[C@H]2CCC[C@H]2C#N)cc1 ZINC000602975822 351076298 /nfs/dbraw/zinc/07/62/98/351076298.db2.gz HVBAOJNJOMGVAV-HOCLYGCPSA-N 1 1 258.365 2.862 20 30 CFEDMO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1C#N ZINC000602975895 351077225 /nfs/dbraw/zinc/07/72/25/351077225.db2.gz IHJLFEDDNOYBQD-WFASDCNBSA-N 1 1 289.335 2.598 20 30 CFEDMO C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1C#N ZINC000602975895 351077228 /nfs/dbraw/zinc/07/72/28/351077228.db2.gz IHJLFEDDNOYBQD-WFASDCNBSA-N 1 1 289.335 2.598 20 30 CFEDMO CN(C)c1ccccc1C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602978071 351078883 /nfs/dbraw/zinc/07/88/83/351078883.db2.gz LFUBFVCVXNBEPW-BBRMVZONSA-N 1 1 257.381 2.877 20 30 CFEDMO CN(C)c1ccccc1C[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602978071 351078886 /nfs/dbraw/zinc/07/88/86/351078886.db2.gz LFUBFVCVXNBEPW-BBRMVZONSA-N 1 1 257.381 2.877 20 30 CFEDMO C[N@H+](Cc1ccc(CC#N)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602979749 351081095 /nfs/dbraw/zinc/08/10/95/351081095.db2.gz HTPSSCTYTSXCMH-CVEARBPZSA-N 1 1 253.349 2.877 20 30 CFEDMO C[N@@H+](Cc1ccc(CC#N)cc1)[C@H]1CCC[C@@H]1C#N ZINC000602979749 351081099 /nfs/dbraw/zinc/08/10/99/351081099.db2.gz 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/nfs/dbraw/zinc/05/25/48/243052548.db2.gz GTOHANPAOPDWPL-LBPRGKRZSA-N 1 1 278.783 2.806 20 30 CFEDMO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2ccc(C#N)cc2)C[C@H]1C ZINC000249130992 284068666 /nfs/dbraw/zinc/06/86/66/284068666.db2.gz UVKWWHMCBLAOLH-XJKCOSOUSA-N 1 1 286.375 2.750 20 30 CFEDMO COc1ccc(C[NH2+]CC2(C#N)CC2)cc1OC(F)F ZINC000574258406 335004574 /nfs/dbraw/zinc/00/45/74/335004574.db2.gz LFZFCWSUWOSOAA-UHFFFAOYSA-N 1 1 282.290 2.690 20 30 CFEDMO C=CCCC[C@@H](C)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000574336258 335011677 /nfs/dbraw/zinc/01/16/77/335011677.db2.gz BEWCJDKKWPWEME-OAHLLOKOSA-N 1 1 268.445 2.556 20 30 CFEDMO CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@H](C)c1cccc(C#N)c1 ZINC000456390871 244169716 /nfs/dbraw/zinc/16/97/16/244169716.db2.gz WECTYUTWAGRYSN-PBHICJAKSA-N 1 1 299.418 2.604 20 30 CFEDMO C=CCOc1cccc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c1 ZINC000276069410 193203731 /nfs/dbraw/zinc/20/37/31/193203731.db2.gz VZDHVEOPWKUQHJ-MRXNPFEDSA-N 1 1 275.392 2.844 20 30 CFEDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1sccc1C#N ZINC000330762824 203202789 /nfs/dbraw/zinc/20/27/89/203202789.db2.gz OHSHOKIIHRJCJB-CYBMUJFWSA-N 1 1 291.420 2.614 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cnnn1-c1ccccc1 ZINC000676630678 541772990 /nfs/dbraw/zinc/77/29/90/541772990.db2.gz UQVBAZSGOWLHGN-AWEZNQCLSA-N 1 1 268.364 2.808 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1Cc1cnnn1-c1ccccc1 ZINC000676630678 541772991 /nfs/dbraw/zinc/77/29/91/541772991.db2.gz UQVBAZSGOWLHGN-AWEZNQCLSA-N 1 1 268.364 2.808 20 30 CFEDMO OCCC[N@@H+](CC#Cc1ccccc1Cl)C1CC1 ZINC000676714631 541781761 /nfs/dbraw/zinc/78/17/61/541781761.db2.gz BEKRBBOZZQUSEX-UHFFFAOYSA-N 1 1 263.768 2.538 20 30 CFEDMO C=CC[N@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000276202819 193242686 /nfs/dbraw/zinc/24/26/86/193242686.db2.gz KHULXCRBMBGCIB-UHFFFAOYSA-N 1 1 259.328 2.688 20 30 CFEDMO CC[N@@H+](CCc1ccnn1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000276334426 193290301 /nfs/dbraw/zinc/29/03/01/193290301.db2.gz ROXXTVFEPLKWMT-AWEZNQCLSA-N 1 1 282.391 2.917 20 30 CFEDMO C=CCC[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000276358036 193298952 /nfs/dbraw/zinc/29/89/52/193298952.db2.gz FKDZOPNIAYCIPR-UHFFFAOYSA-N 1 1 250.317 2.662 20 30 CFEDMO C=CCC[N@H+](C)Cc1cc(C(=O)OC)ccc1F ZINC000276386853 193310729 /nfs/dbraw/zinc/31/07/29/193310729.db2.gz IVMRNJKGZZXSMK-UHFFFAOYSA-N 1 1 251.301 2.620 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)Nc1ccccc1OCC ZINC000276429948 193327652 /nfs/dbraw/zinc/32/76/52/193327652.db2.gz NJYYCYXAHJEJQF-UHFFFAOYSA-N 1 1 262.353 2.532 20 30 CFEDMO C#CC[N@H+](CC)Cc1nc2ccc(OC)cc2s1 ZINC000490739780 261197699 /nfs/dbraw/zinc/19/76/99/261197699.db2.gz GUSLNTMVVGYPPM-UHFFFAOYSA-N 1 1 260.362 2.760 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N ZINC000276484690 193351340 /nfs/dbraw/zinc/35/13/40/193351340.db2.gz TYXCVQISQQEOAZ-NSHDSACASA-N 1 1 275.352 2.603 20 30 CFEDMO COCC[C@@H]([NH2+]CC#Cc1ccccc1)c1ccco1 ZINC000277019913 193532753 /nfs/dbraw/zinc/53/27/53/193532753.db2.gz QTYIMLCBAWOUJR-MRXNPFEDSA-N 1 1 269.344 2.999 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000677047397 541813596 /nfs/dbraw/zinc/81/35/96/541813596.db2.gz ZEGUFNAEZJOTHG-ZDUSSCGKSA-N 1 1 284.197 2.818 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+](C)Cc1nc2ccccc2s1 ZINC000677047504 541813683 /nfs/dbraw/zinc/81/36/83/541813683.db2.gz CSUUSBVHIOKNSC-GFCCVEGCSA-N 1 1 262.378 2.665 20 30 CFEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000677047504 541813686 /nfs/dbraw/zinc/81/36/86/541813686.db2.gz CSUUSBVHIOKNSC-GFCCVEGCSA-N 1 1 262.378 2.665 20 30 CFEDMO CCn1nncc1C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000459314430 245134567 /nfs/dbraw/zinc/13/45/67/245134567.db2.gz ZLTJEMODQJKNSW-ZDUSSCGKSA-N 1 1 283.379 2.753 20 30 CFEDMO CCn1nncc1C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000459314430 245134572 /nfs/dbraw/zinc/13/45/72/245134572.db2.gz ZLTJEMODQJKNSW-ZDUSSCGKSA-N 1 1 283.379 2.753 20 30 CFEDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)cc1C#N ZINC000459669863 245266536 /nfs/dbraw/zinc/26/65/36/245266536.db2.gz JMPYRNIVJSZEPJ-HZPDHXFCSA-N 1 1 298.386 2.568 20 30 CFEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccn(C)n1 ZINC000459791425 245330048 /nfs/dbraw/zinc/33/00/48/245330048.db2.gz NMIGMNDUVSLQEL-RYUDHWBXSA-N 1 1 254.337 2.704 20 30 CFEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+](C)CC1CCCC1 ZINC000083189420 284293664 /nfs/dbraw/zinc/29/36/64/284293664.db2.gz OJZJKNLXCNASGP-INIZCTEOSA-N 1 1 286.375 2.894 20 30 CFEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1CCCC1 ZINC000083189420 284293667 /nfs/dbraw/zinc/29/36/67/284293667.db2.gz OJZJKNLXCNASGP-INIZCTEOSA-N 1 1 286.375 2.894 20 30 CFEDMO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153295325 284295634 /nfs/dbraw/zinc/29/56/34/284295634.db2.gz GENZHFHWBHHCAF-OAGGEKHMSA-N 1 1 284.359 2.504 20 30 CFEDMO COCC#CC[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000677479538 541865841 /nfs/dbraw/zinc/86/58/41/541865841.db2.gz OPULJDHXMMSSMX-KRWDZBQOSA-N 1 1 255.361 2.788 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+](C)CCCOc1ccccc1C ZINC000677477353 541864740 /nfs/dbraw/zinc/86/47/40/541864740.db2.gz DHNZWPSFZHTHQG-HNNXBMFYSA-N 1 1 263.381 2.633 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCCNCc1ccc(C#N)cc1 ZINC000019913100 372208908 /nfs/dbraw/zinc/20/89/08/372208908.db2.gz NFUZAGMMELWKAP-HNNXBMFYSA-N 1 1 271.408 2.912 20 30 CFEDMO CCCC[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000019846829 372200887 /nfs/dbraw/zinc/20/08/87/372200887.db2.gz CZAHUYZQXUTHTI-UHFFFAOYSA-N 1 1 259.353 2.619 20 30 CFEDMO CCCC[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000023991765 372268081 /nfs/dbraw/zinc/26/80/81/372268081.db2.gz SRJQPIGZAXSJTR-UHFFFAOYSA-N 1 1 291.420 2.973 20 30 CFEDMO CCCC[N@@H+](C)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000023991678 372268532 /nfs/dbraw/zinc/26/85/32/372268532.db2.gz VJEVVFYHSJQPJO-UHFFFAOYSA-N 1 1 279.771 2.882 20 30 CFEDMO CC[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000034674492 372511811 /nfs/dbraw/zinc/51/18/11/372511811.db2.gz LQZJQHZDPHWCMU-HOTGVXAUSA-N 1 1 258.365 2.856 20 30 CFEDMO CC[N@@H+](CCC(=O)Nc1cccc(C#N)c1)CC(C)C ZINC000037111575 372651053 /nfs/dbraw/zinc/65/10/53/372651053.db2.gz HHHYVKSBAYHYEY-UHFFFAOYSA-N 1 1 273.380 2.865 20 30 CFEDMO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000037644418 372681908 /nfs/dbraw/zinc/68/19/08/372681908.db2.gz YANBGHFCZOMOFL-GJZGRUSLSA-N 1 1 287.407 2.581 20 30 CFEDMO CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000037644418 372681913 /nfs/dbraw/zinc/68/19/13/372681913.db2.gz YANBGHFCZOMOFL-GJZGRUSLSA-N 1 1 287.407 2.581 20 30 CFEDMO COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(C#N)cc2)o1 ZINC000037652048 372686473 /nfs/dbraw/zinc/68/64/73/372686473.db2.gz IIGMPZSQVJVTRW-LLVKDONJSA-N 1 1 284.315 2.789 20 30 CFEDMO Cc1ccccc1[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000263741689 383686579 /nfs/dbraw/zinc/68/65/79/383686579.db2.gz RMHLJMVCBDORPB-JKSUJKDBSA-N 1 1 299.418 2.545 20 30 CFEDMO CCCCC[N@@H+](CCC(=O)N(C)CCC#N)C(C)C ZINC000042556932 372933971 /nfs/dbraw/zinc/93/39/71/372933971.db2.gz NWGSHYKJWNQDCB-UHFFFAOYSA-N 1 1 267.417 2.649 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000263755273 383686715 /nfs/dbraw/zinc/68/67/15/383686715.db2.gz TXNZQHKUTRJEGX-MRXNPFEDSA-N 1 1 299.418 2.547 20 30 CFEDMO CC[N@@H+](CC(=O)N1CCCCC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000042741465 372951671 /nfs/dbraw/zinc/95/16/71/372951671.db2.gz CLVATJQWHIWMQR-HNNXBMFYSA-N 1 1 299.418 2.954 20 30 CFEDMO Cc1ccccc1[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000263741676 383687131 /nfs/dbraw/zinc/68/71/31/383687131.db2.gz RMHLJMVCBDORPB-HOTGVXAUSA-N 1 1 299.418 2.545 20 30 CFEDMO CC(C)[N@H+](CC(=O)Nc1cccc(C#N)c1)CC1CC1 ZINC000047861632 373122248 /nfs/dbraw/zinc/12/22/48/373122248.db2.gz JUJCTSAPWSBKEQ-UHFFFAOYSA-N 1 1 271.364 2.617 20 30 CFEDMO C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000051731836 373405958 /nfs/dbraw/zinc/40/59/58/373405958.db2.gz XDZCCTCQXKFYML-CHWSQXEVSA-N 1 1 271.364 2.617 20 30 CFEDMO C[C@@H]1C[C@@H](C)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000051731837 373406317 /nfs/dbraw/zinc/40/63/17/373406317.db2.gz XDZCCTCQXKFYML-QWHCGFSZSA-N 1 1 271.364 2.617 20 30 CFEDMO C=CC[N@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1cccs1 ZINC000677677302 541887789 /nfs/dbraw/zinc/88/77/89/541887789.db2.gz VJZKCCQRADSUAF-ZDUSSCGKSA-N 1 1 299.461 2.561 20 30 CFEDMO C=CC[N@@H+](CC[C@H]1CCS(=O)(=O)C1)Cc1cccs1 ZINC000677677302 541887792 /nfs/dbraw/zinc/88/77/92/541887792.db2.gz VJZKCCQRADSUAF-ZDUSSCGKSA-N 1 1 299.461 2.561 20 30 CFEDMO N#Cc1ccc(N2CC[NH+](Cc3cccc(O)c3)CC2)cc1 ZINC000263913505 383690066 /nfs/dbraw/zinc/69/00/66/383690066.db2.gz NGMFCXFILYFCAN-UHFFFAOYSA-N 1 1 293.370 2.586 20 30 CFEDMO C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000057874107 373616566 /nfs/dbraw/zinc/61/65/66/373616566.db2.gz FVSPURYGQRAOBW-VIFPVBQESA-N 1 1 287.190 2.946 20 30 CFEDMO C[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000063308438 373802563 /nfs/dbraw/zinc/80/25/63/373802563.db2.gz MJBCJKBHTZAGAM-LLVKDONJSA-N 1 1 277.393 2.680 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)CC1 ZINC000063308438 373802574 /nfs/dbraw/zinc/80/25/74/373802574.db2.gz MJBCJKBHTZAGAM-LLVKDONJSA-N 1 1 277.393 2.680 20 30 CFEDMO CC(C)[N@@H+](CCn1cccn1)Cc1ccc(C#N)cc1 ZINC000063750363 373814910 /nfs/dbraw/zinc/81/49/10/373814910.db2.gz RNEMQFOEXCJJAL-UHFFFAOYSA-N 1 1 268.364 2.665 20 30 CFEDMO C=CCCC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000068524181 374032626 /nfs/dbraw/zinc/03/26/26/374032626.db2.gz XPWYMXYKGSWUBO-CQSZACIVSA-N 1 1 264.413 2.866 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)N(CCC)[C@@H]1CC[N@@H+](C)C1 ZINC000645416453 383697531 /nfs/dbraw/zinc/69/75/31/383697531.db2.gz QOEBLUVGRDAYHU-LSDHHAIUSA-N 1 1 281.444 2.857 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000677802781 541907157 /nfs/dbraw/zinc/90/71/57/541907157.db2.gz ZDZFAMQXYOBCFB-QZTJIDSGSA-N 1 1 289.419 2.647 20 30 CFEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC#CCOC)C1(CC)CC ZINC000677818517 541909744 /nfs/dbraw/zinc/90/97/44/541909744.db2.gz ARQSASOYPNSOPR-HUUCEWRRSA-N 1 1 267.413 2.552 20 30 CFEDMO CC[N@@H+](CC#CCOC)[C@H](C)Cc1ccc(OC)cc1 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C[N@H+](Cc1ccc(C#N)cc1)C[C@@H]1Cc2ccccc2O1 ZINC000363874973 156200561 /nfs/dbraw/zinc/20/05/61/156200561.db2.gz KMCAQJCRRCTSHB-KRWDZBQOSA-N 1 1 278.355 2.994 20 30 CFEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]2c2cc[nH]n2)cc1 ZINC000366790423 156239337 /nfs/dbraw/zinc/23/93/37/156239337.db2.gz ARECOSGWXHTQQV-KRWDZBQOSA-N 1 1 296.374 2.887 20 30 CFEDMO Cc1c([C@@H]2CCC[N@@H+]2Cc2ccccc2C#N)cnn1C ZINC000367256525 156304462 /nfs/dbraw/zinc/30/44/62/156304462.db2.gz XWSYFBBDRBKDHW-KRWDZBQOSA-N 1 1 280.375 2.937 20 30 CFEDMO Cc1c([C@@H]2CCC[N@H+]2Cc2ccccc2C#N)cnn1C ZINC000367256525 156304473 /nfs/dbraw/zinc/30/44/73/156304473.db2.gz XWSYFBBDRBKDHW-KRWDZBQOSA-N 1 1 280.375 2.937 20 30 CFEDMO C=CCC1(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCCC1 ZINC000663715530 413336880 /nfs/dbraw/zinc/33/68/80/413336880.db2.gz GQDZTAWRNWJAKS-GJZGRUSLSA-N 1 1 291.439 2.801 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)Cc2cccc(SC)c2)C1=O ZINC000660463340 413336985 /nfs/dbraw/zinc/33/69/85/413336985.db2.gz AZWHSDNLVDVOPH-HNNXBMFYSA-N 1 1 290.432 2.627 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+](C)Cc2cccc(SC)c2)C1=O ZINC000660463341 413337163 /nfs/dbraw/zinc/33/71/63/413337163.db2.gz AZWHSDNLVDVOPH-OAHLLOKOSA-N 1 1 290.432 2.627 20 30 CFEDMO N#Cc1ccc2ncc(C[N@H+]3CCCC4(CCC4)C3)n2c1 ZINC000373486945 157000613 /nfs/dbraw/zinc/00/06/13/157000613.db2.gz UMQPPYYXKDPHTN-UHFFFAOYSA-N 1 1 280.375 2.972 20 30 CFEDMO COc1cc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)ccc1C#N ZINC000374206046 157081645 /nfs/dbraw/zinc/08/16/45/157081645.db2.gz QSQZFJPYLKTRKH-JKSUJKDBSA-N 1 1 286.375 2.568 20 30 CFEDMO COc1cc(C[N@H+]2CCCO[C@H]3CCC[C@@H]32)ccc1C#N ZINC000374203681 157082217 /nfs/dbraw/zinc/08/22/17/157082217.db2.gz FBFACKDDSMSXKJ-HOTGVXAUSA-N 1 1 286.375 2.710 20 30 CFEDMO N#Cc1cccc(C[NH2+][C@H]2COc3cccc(F)c32)c1 ZINC000374673774 157147018 /nfs/dbraw/zinc/14/70/18/157147018.db2.gz BALULMDDVNMIQO-AWEZNQCLSA-N 1 1 268.291 2.921 20 30 CFEDMO N#Cc1cc(C(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)c[nH]1 ZINC000375244630 157210854 /nfs/dbraw/zinc/21/08/54/157210854.db2.gz HLCSJGLWQJIWQC-UHFFFAOYSA-N 1 1 292.342 2.617 20 30 CFEDMO C=C[C@H](C)NC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000651220103 413355164 /nfs/dbraw/zinc/35/51/64/413355164.db2.gz SDEFFQJDLBYIMV-AWEZNQCLSA-N 1 1 281.444 2.905 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](C)C[C@@H](C)C2)nn1 ZINC000653588857 413388589 /nfs/dbraw/zinc/38/85/89/413388589.db2.gz MMWWEKSRKRQHGL-UONOGXRCSA-N 1 1 262.401 2.722 20 30 CFEDMO C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000660571461 413403205 /nfs/dbraw/zinc/40/32/05/413403205.db2.gz OEWDANWNNASHOG-BZUAXINKSA-N 1 1 291.439 2.611 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H](C(C)C)C2)nn1 ZINC000653633199 413415530 /nfs/dbraw/zinc/41/55/30/413415530.db2.gz UTAZOPOOHBVERU-CQSZACIVSA-N 1 1 262.401 2.722 20 30 CFEDMO CCN1CCCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC000344315292 162006390 /nfs/dbraw/zinc/00/63/90/162006390.db2.gz ICYWAMWALFDKLG-HNNXBMFYSA-N 1 1 275.371 2.661 20 30 CFEDMO Cc1ncc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000349914098 163035921 /nfs/dbraw/zinc/03/59/21/163035921.db2.gz LWQTXCIPZVOPLS-UHFFFAOYSA-N 1 1 278.359 2.821 20 30 CFEDMO Cc1ncc(C[N@@H+](Cc2ccc(C#N)cc2)C2CC2)cn1 ZINC000349914098 163035924 /nfs/dbraw/zinc/03/59/24/163035924.db2.gz LWQTXCIPZVOPLS-UHFFFAOYSA-N 1 1 278.359 2.821 20 30 CFEDMO COCCc1cc[nH+]c(NCc2cccc(C#N)c2)c1 ZINC000351571334 163149143 /nfs/dbraw/zinc/14/91/43/163149143.db2.gz XBGGIAUIOLRWEK-UHFFFAOYSA-N 1 1 267.332 2.754 20 30 CFEDMO COCCc1cc[nH+]c(NCc2cc(C#N)cs2)c1 ZINC000351571281 163149634 /nfs/dbraw/zinc/14/96/34/163149634.db2.gz WKISXVATRNDXCG-UHFFFAOYSA-N 1 1 273.361 2.816 20 30 CFEDMO C[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000351600893 163154137 /nfs/dbraw/zinc/15/41/37/163154137.db2.gz ZGLRUPAJGXZAPG-CYBMUJFWSA-N 1 1 288.391 2.968 20 30 CFEDMO C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2cccc(C#N)c2F)C1 ZINC000351633467 163161325 /nfs/dbraw/zinc/16/13/25/163161325.db2.gz ZDQSEDXLBMLSOV-SWLSCSKDSA-N 1 1 276.355 2.680 20 30 CFEDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2ccc(C#N)cc2)C1 ZINC000351652596 163168325 /nfs/dbraw/zinc/16/83/25/163168325.db2.gz SNDBQZSZUXCXAK-BBRMVZONSA-N 1 1 258.365 2.541 20 30 CFEDMO N#Cc1csc(C[NH2+]Cc2cccc3cccnc32)n1 ZINC000352821177 163242515 /nfs/dbraw/zinc/24/25/15/163242515.db2.gz GMYVDQQZUVKJIU-UHFFFAOYSA-N 1 1 280.356 2.853 20 30 CFEDMO N#Cc1ccc(CNCC[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000352839464 163249496 /nfs/dbraw/zinc/24/94/96/163249496.db2.gz KJLKXDHRWFXDCH-UHFFFAOYSA-N 1 1 297.324 2.762 20 30 CFEDMO N#Cc1cccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1F ZINC000352884652 163262743 /nfs/dbraw/zinc/26/27/43/163262743.db2.gz MMRZFBVUUHDBQQ-LBPRGKRZSA-N 1 1 274.339 2.698 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC[C@@H](COC(F)F)C2)ccc1F ZINC000353024562 163289664 /nfs/dbraw/zinc/28/96/64/163289664.db2.gz HNLJPVVGAJPFOL-LLVKDONJSA-N 1 1 284.281 2.758 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000353030734 163290656 /nfs/dbraw/zinc/29/06/56/163290656.db2.gz SWQCENRZCBDPJD-ZDUSSCGKSA-N 1 1 266.291 2.619 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000653711106 413460978 /nfs/dbraw/zinc/46/09/78/413460978.db2.gz RAJNKDARXUEMJH-ZFWWWQNUSA-N 1 1 259.397 2.647 20 30 CFEDMO Cn1cc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1C#N ZINC000284380386 196044195 /nfs/dbraw/zinc/04/41/95/196044195.db2.gz OKYJMDFEMYWTKV-OLZOCXBDSA-N 1 1 298.217 2.912 20 30 CFEDMO CC(C)C[C@H](CNCc1cccc(C#N)c1)[NH+](C)C ZINC000020201253 171065634 /nfs/dbraw/zinc/06/56/34/171065634.db2.gz YUVMTJJOPGBMHZ-MRXNPFEDSA-N 1 1 259.397 2.624 20 30 CFEDMO C#CCCCCC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284753391 196125322 /nfs/dbraw/zinc/12/53/22/196125322.db2.gz RJDGQJPMPIOFLW-SFHVURJKSA-N 1 1 298.430 2.565 20 30 CFEDMO C#CCCCCC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284753391 196125323 /nfs/dbraw/zinc/12/53/23/196125323.db2.gz RJDGQJPMPIOFLW-SFHVURJKSA-N 1 1 298.430 2.565 20 30 CFEDMO N#Cc1c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cn2ccccc12 ZINC000284781275 196130531 /nfs/dbraw/zinc/13/05/31/196130531.db2.gz NJOSTUTWTQPLAN-QZTJIDSGSA-N 1 1 295.386 2.954 20 30 CFEDMO C=CCCn1cc(C[NH2+][C@@H]2c3ccccc3C[C@H]2C)nn1 ZINC000657371276 413512270 /nfs/dbraw/zinc/51/22/70/413512270.db2.gz PRUKJKCDKDPQJL-DYVFJYSZSA-N 1 1 282.391 2.877 20 30 CFEDMO C[C@H](C[NH+]1CCCCC1)NCc1cccc(C#N)c1 ZINC000035258798 172091052 /nfs/dbraw/zinc/09/10/52/172091052.db2.gz PFBNXJOCTXMFAN-CQSZACIVSA-N 1 1 257.381 2.522 20 30 CFEDMO C[C@@H](C[NH+]1CCCCC1)NCc1cccc(C#N)c1 ZINC000035258797 172091418 /nfs/dbraw/zinc/09/14/18/172091418.db2.gz PFBNXJOCTXMFAN-AWEZNQCLSA-N 1 1 257.381 2.522 20 30 CFEDMO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1nnc(C)o1 ZINC000285092242 196195094 /nfs/dbraw/zinc/19/50/94/196195094.db2.gz LHCLFAHFCYXENM-WFASDCNBSA-N 1 1 269.348 2.663 20 30 CFEDMO C#CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1nc(COC)no1 ZINC000285156822 196209211 /nfs/dbraw/zinc/20/92/11/196209211.db2.gz PSOGYQYGPWTTTA-DZGCQCFKSA-N 1 1 299.374 2.501 20 30 CFEDMO C#CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1nc(COC)no1 ZINC000285156842 196209455 /nfs/dbraw/zinc/20/94/55/196209455.db2.gz PSOGYQYGPWTTTA-ZFWWWQNUSA-N 1 1 299.374 2.501 20 30 CFEDMO C=CCc1cccc(F)c1OCCc1c[nH+]cn1C ZINC000664102704 413570557 /nfs/dbraw/zinc/57/05/57/413570557.db2.gz ZHCONEGJPNRPCT-UHFFFAOYSA-N 1 1 260.312 2.909 20 30 CFEDMO COCCc1cc[nH+]c(NCc2ccc(OC)c(C#N)c2)c1 ZINC000285301228 196245787 /nfs/dbraw/zinc/24/57/87/196245787.db2.gz URKHIECGDGFNLR-UHFFFAOYSA-N 1 1 297.358 2.763 20 30 CFEDMO C=C(C)C[NH+]1CCC(NCc2cc3cnccc3o2)CC1 ZINC000651700886 413579761 /nfs/dbraw/zinc/57/97/61/413579761.db2.gz XVUOEVZENUHOKW-UHFFFAOYSA-N 1 1 285.391 2.958 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)c1ccccn1 ZINC000035694808 172363367 /nfs/dbraw/zinc/36/33/67/172363367.db2.gz UEMXIHZRETXSHM-NSHDSACASA-N 1 1 255.296 2.943 20 30 CFEDMO C=CCOCC[NH2+][C@@H](Cc1ccccc1)c1ncco1 ZINC000653912819 413596675 /nfs/dbraw/zinc/59/66/75/413596675.db2.gz NFXNTUQWDIDQJV-HNNXBMFYSA-N 1 1 272.348 2.751 20 30 CFEDMO C=CCCn1cc(C[NH2+][C@@H](CC)CC(F)(F)F)nn1 ZINC000657434900 413602203 /nfs/dbraw/zinc/60/22/03/413602203.db2.gz KLQRJPBXGDOUNI-JTQLQIEISA-N 1 1 276.306 2.675 20 30 CFEDMO C=CCCn1cc(C[NH2+]Cc2ccc(NCCC)cc2)nn1 ZINC000657450800 413621597 /nfs/dbraw/zinc/62/15/97/413621597.db2.gz VVBSLTOAGXJWSR-UHFFFAOYSA-N 1 1 299.422 2.966 20 30 CFEDMO C=CCOCCCNc1[nH+]ccc2c(N)cccc21 ZINC000664389069 413729330 /nfs/dbraw/zinc/72/93/30/413729330.db2.gz VNEOBMXLIZBUMS-UHFFFAOYSA-N 1 1 257.337 2.822 20 30 CFEDMO C=CCOCCCNc1[nH+]c2ccc(F)cc2n1C ZINC000664387426 413729589 /nfs/dbraw/zinc/72/95/89/413729589.db2.gz GIEAGQMBMKJFAU-UHFFFAOYSA-N 1 1 263.316 2.717 20 30 CFEDMO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000285464002 196292721 /nfs/dbraw/zinc/29/27/21/196292721.db2.gz UKCJPMRKHJGSID-OKILXGFUSA-N 1 1 264.756 2.821 20 30 CFEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2C#N)C1 ZINC000285464002 196292723 /nfs/dbraw/zinc/29/27/23/196292723.db2.gz UKCJPMRKHJGSID-OKILXGFUSA-N 1 1 264.756 2.821 20 30 CFEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000285481168 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C[C@@H]([NH2+]CCC(C)(C)C#N)c1c(F)cncc1F ZINC000285513846 328248010 /nfs/dbraw/zinc/24/80/10/328248010.db2.gz DNHIPJJSWFYDFI-SECBINFHSA-N 1 1 253.296 2.950 20 30 CFEDMO C=CC[N@@H+](CCOCCC#N)Cc1ccccc1F ZINC000293417057 328275899 /nfs/dbraw/zinc/27/58/99/328275899.db2.gz ILMPCXZJFZTGKJ-UHFFFAOYSA-N 1 1 262.328 2.744 20 30 CFEDMO C=CC[N@H+](CCOCCC#N)Cc1ccccc1F ZINC000293417057 328275901 /nfs/dbraw/zinc/27/59/01/328275901.db2.gz ILMPCXZJFZTGKJ-UHFFFAOYSA-N 1 1 262.328 2.744 20 30 CFEDMO COc1c(C)cnc(C[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)c1C ZINC000295056326 328284598 /nfs/dbraw/zinc/28/45/98/328284598.db2.gz BKYKZFUTCVTKKI-KGLIPLIRSA-N 1 1 273.380 2.831 20 30 CFEDMO COc1c(C)cnc(C[N@@H+](C)CCCSCC#N)c1C ZINC000295203230 328285344 /nfs/dbraw/zinc/28/53/44/328285344.db2.gz SVAJMXWAMVOIFJ-UHFFFAOYSA-N 1 1 293.436 2.786 20 30 CFEDMO Cc1cc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)cn2cc[nH+]c12 ZINC000296834449 328292313 /nfs/dbraw/zinc/29/23/13/328292313.db2.gz JLHNHLBLAPCDBB-STQMWFEESA-N 1 1 297.362 2.847 20 30 CFEDMO CCCC[N@H+](CCOC)Cc1cc(F)ccc1C#N ZINC000160322975 322336199 /nfs/dbraw/zinc/33/61/99/322336199.db2.gz OPTJUCXYKQVCLB-UHFFFAOYSA-N 1 1 264.344 2.946 20 30 CFEDMO CCCC[N@@H+](CCOC)Cc1cc(F)ccc1C#N ZINC000160322975 322336202 /nfs/dbraw/zinc/33/62/02/322336202.db2.gz OPTJUCXYKQVCLB-UHFFFAOYSA-N 1 1 264.344 2.946 20 30 CFEDMO COCC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(C)o1 ZINC000572056290 322605949 /nfs/dbraw/zinc/60/59/49/322605949.db2.gz WWQSWXXQWBFLLK-OAHLLOKOSA-N 1 1 285.347 2.722 20 30 CFEDMO CC(C)C[N@@H+](C)CC(=O)Nc1ccccc1SCC#N ZINC000049442362 328361033 /nfs/dbraw/zinc/36/10/33/328361033.db2.gz JESGBXSFUBICRS-UHFFFAOYSA-N 1 1 291.420 2.829 20 30 CFEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000121143409 328365220 /nfs/dbraw/zinc/36/52/20/328365220.db2.gz OLARWARKTCNWNG-JTQLQIEISA-N 1 1 275.377 2.741 20 30 CFEDMO C=CC[N@H+](C)[C@@H](C)C(=O)Nc1nc2ccccc2s1 ZINC000121143409 328365221 /nfs/dbraw/zinc/36/52/21/328365221.db2.gz OLARWARKTCNWNG-JTQLQIEISA-N 1 1 275.377 2.741 20 30 CFEDMO C=CCOc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000051187731 328457010 /nfs/dbraw/zinc/45/70/10/328457010.db2.gz CZTGDEXRVJKRCA-KRWDZBQOSA-N 1 1 296.370 2.568 20 30 CFEDMO C[C@H]1C[NH+](CCSc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000580452520 325038478 /nfs/dbraw/zinc/03/84/78/325038478.db2.gz XPULTJOYHSDCLD-STQMWFEESA-N 1 1 276.405 2.760 20 30 CFEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C ZINC000580837058 325068593 /nfs/dbraw/zinc/06/85/93/325068593.db2.gz OMHAZBKNKCMKPI-WDEREUQCSA-N 1 1 291.376 2.792 20 30 CFEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@H]1C ZINC000580837058 325068596 /nfs/dbraw/zinc/06/85/96/325068596.db2.gz OMHAZBKNKCMKPI-WDEREUQCSA-N 1 1 291.376 2.792 20 30 CFEDMO N#Cc1ccc(CNCCC[NH+]2CCC2)c(C(F)(F)F)c1 ZINC000583332724 325279424 /nfs/dbraw/zinc/27/94/24/325279424.db2.gz QSXQLOVKSQCFHI-UHFFFAOYSA-N 1 1 297.324 2.762 20 30 CFEDMO C=CCN(CC=C)C(=O)C[NH2+][C@H](CC)c1nc(C)cs1 ZINC000184374923 328529899 /nfs/dbraw/zinc/52/98/99/328529899.db2.gz CVWFAEWMQQILDO-CYBMUJFWSA-N 1 1 293.436 2.693 20 30 CFEDMO CC(C)[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CC(C)(C)C1 ZINC000583753123 325308380 /nfs/dbraw/zinc/30/83/80/325308380.db2.gz OPOSHXKNDYGLRL-UHFFFAOYSA-N 1 1 297.406 3.000 20 30 CFEDMO C=CCN(Cc1ccccc1F)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000557565102 327013801 /nfs/dbraw/zinc/01/38/01/327013801.db2.gz UDKFNXFGQQAJMI-CQSZACIVSA-N 1 1 290.382 2.682 20 30 CFEDMO C=CCCC[C@H](C)[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000576289541 327027518 /nfs/dbraw/zinc/02/75/18/327027518.db2.gz HWCSGAQJNADCSI-JKSUJKDBSA-N 1 1 266.429 2.528 20 30 CFEDMO C[C@@H](C(=O)Nc1cccc(F)c1)[NH+]1CCC(CC#N)CC1 ZINC000557910279 327035164 /nfs/dbraw/zinc/03/51/64/327035164.db2.gz TURWYYUWJVDYJZ-LBPRGKRZSA-N 1 1 289.354 2.778 20 30 CFEDMO CC#CCC[N@@H+](CCC)CCN1CCCCCC1 ZINC000558174603 327077088 /nfs/dbraw/zinc/07/70/88/327077088.db2.gz RGUNSTRSFJEGDI-UHFFFAOYSA-N 1 1 250.430 2.988 20 30 CFEDMO CC#CCC[N@H+](CCC)CCN1CCCCCC1 ZINC000558174603 327077089 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/nfs/dbraw/zinc/24/94/87/327249487.db2.gz PXMAJYCZINILNN-UHFFFAOYSA-N 1 1 262.378 2.810 20 30 CFEDMO N#CCC[C@H](C#N)C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000112559742 327286608 /nfs/dbraw/zinc/28/66/08/327286608.db2.gz IKSHYINRNZMJDW-CRAIPNDOSA-N 1 1 297.402 2.876 20 30 CFEDMO C=CCCCCCCNC(=O)N1CCC[N@H+](CC)CC1 ZINC000377007349 329009083 /nfs/dbraw/zinc/00/90/83/329009083.db2.gz NRUGUFJXXUROMB-UHFFFAOYSA-N 1 1 281.444 2.860 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCCC[C@H](COC)C2)cc1 ZINC000377621982 329020961 /nfs/dbraw/zinc/02/09/61/329020961.db2.gz ICKKLDQVDQHRKZ-KRWDZBQOSA-N 1 1 257.377 2.916 20 30 CFEDMO C#Cc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1 ZINC000377710073 329026403 /nfs/dbraw/zinc/02/64/03/329026403.db2.gz ZYMKSTLXKWAIPN-JTDSTZFVSA-N 1 1 299.414 2.826 20 30 CFEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377729940 329027222 /nfs/dbraw/zinc/02/72/22/329027222.db2.gz XBIBUUDMDUFMLN-QAPCUYQASA-N 1 1 295.386 2.900 20 30 CFEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000377729940 329027224 /nfs/dbraw/zinc/02/72/24/329027224.db2.gz XBIBUUDMDUFMLN-QAPCUYQASA-N 1 1 295.386 2.900 20 30 CFEDMO CC#CCC[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000377730481 329027608 /nfs/dbraw/zinc/02/76/08/329027608.db2.gz YKGVKQRZUBDMMZ-HUUCEWRRSA-N 1 1 292.423 2.589 20 30 CFEDMO C=CCOc1cccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c1 ZINC000377774222 329028847 /nfs/dbraw/zinc/02/88/47/329028847.db2.gz GPQVBSUSSWHRCC-AWEZNQCLSA-N 1 1 283.375 2.622 20 30 CFEDMO Cn1cc([C@@H]2CC[N@H+](CCC#N)C2)c2ccccc21 ZINC000377947175 329035432 /nfs/dbraw/zinc/03/54/32/329035432.db2.gz RZMAQLAXEJKCJT-CYBMUJFWSA-N 1 1 253.349 2.881 20 30 CFEDMO Cn1cc([C@@H]2CC[N@@H+](CCC#N)C2)c2ccccc21 ZINC000377947175 329035433 /nfs/dbraw/zinc/03/54/33/329035433.db2.gz RZMAQLAXEJKCJT-CYBMUJFWSA-N 1 1 253.349 2.881 20 30 CFEDMO CC(C)[C@@]1(CO)CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000378129363 329040926 /nfs/dbraw/zinc/04/09/26/329040926.db2.gz MDYHQNSAFNFXQI-HNNXBMFYSA-N 1 1 252.402 2.657 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000378162633 329041984 /nfs/dbraw/zinc/04/19/84/329041984.db2.gz XJIXSTYIBFKASH-HZPDHXFCSA-N 1 1 291.439 2.798 20 30 CFEDMO C=CCCC[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000172174974 329082002 /nfs/dbraw/zinc/08/20/02/329082002.db2.gz NHSVATLJDLHWNX-UHFFFAOYSA-N 1 1 272.392 2.801 20 30 CFEDMO CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000173702957 329150839 /nfs/dbraw/zinc/15/08/39/329150839.db2.gz YAKYNGOUGFJFEV-UXLLHSPISA-N 1 1 293.455 2.941 20 30 CFEDMO C=CCNC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000173923153 329151095 /nfs/dbraw/zinc/15/10/95/329151095.db2.gz LCJRJWJYNVKGDN-SWLSCSKDSA-N 1 1 276.355 2.511 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000174848158 329163951 /nfs/dbraw/zinc/16/39/51/329163951.db2.gz ZTVTUCWWRWFQIE-HNNXBMFYSA-N 1 1 263.429 2.877 20 30 CFEDMO CC(C)(C#N)CCCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000174848158 329163952 /nfs/dbraw/zinc/16/39/52/329163952.db2.gz ZTVTUCWWRWFQIE-HNNXBMFYSA-N 1 1 263.429 2.877 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000181252355 329227760 /nfs/dbraw/zinc/22/77/60/329227760.db2.gz WJXDPEIGOFQDSQ-UHFFFAOYSA-N 1 1 282.771 2.795 20 30 CFEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000181252355 329227758 /nfs/dbraw/zinc/22/77/58/329227758.db2.gz WJXDPEIGOFQDSQ-UHFFFAOYSA-N 1 1 282.771 2.795 20 30 CFEDMO C=C(C)C[N@@H+](C)CCC(=O)NCC1CCCCC1 ZINC000181254725 329228240 /nfs/dbraw/zinc/22/82/40/329228240.db2.gz MFWFDZGCVQJQTQ-UHFFFAOYSA-N 1 1 252.402 2.581 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000181292894 329229869 /nfs/dbraw/zinc/22/98/69/329229869.db2.gz GMOPNOIBSBMQML-KGLIPLIRSA-N 1 1 252.402 2.531 20 30 CFEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000181317694 329231007 /nfs/dbraw/zinc/23/10/07/329231007.db2.gz CGLLXMMUOTWJEG-UHFFFAOYSA-N 1 1 291.351 2.740 20 30 CFEDMO C=C(C)C[N@H+](C)CCCS(=O)(=O)c1ccc(C)cc1 ZINC000181324607 329231409 /nfs/dbraw/zinc/23/14/09/329231409.db2.gz SKPQJBXMHYOMAG-UHFFFAOYSA-N 1 1 281.421 2.667 20 30 CFEDMO C=C(C)C[N@@H+](C)CCCS(=O)(=O)c1ccc(C)cc1 ZINC000181324607 329231410 /nfs/dbraw/zinc/23/14/10/329231410.db2.gz SKPQJBXMHYOMAG-UHFFFAOYSA-N 1 1 281.421 2.667 20 30 CFEDMO C[C@H]1CCC[C@@H](CO)[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000181388122 329232575 /nfs/dbraw/zinc/23/25/75/329232575.db2.gz HHHVDLZJTZLDPS-BBRMVZONSA-N 1 1 277.795 2.927 20 30 CFEDMO N#CCSCCC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183354103 329247478 /nfs/dbraw/zinc/24/74/78/329247478.db2.gz PCUUAEGAUGGTAD-OAHLLOKOSA-N 1 1 294.395 2.926 20 30 CFEDMO CCCCN(CCCC)C(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459469487 329257786 /nfs/dbraw/zinc/25/77/86/329257786.db2.gz RLMBFJCRMBEAKB-LSDHHAIUSA-N 1 1 279.428 2.697 20 30 CFEDMO Cc1[nH+]c2c(n1CC(=O)c1ccc(C#N)cc1)CCCC2 ZINC000216711368 329299635 /nfs/dbraw/zinc/29/96/35/329299635.db2.gz FABCPKYCISXZSD-UHFFFAOYSA-N 1 1 279.343 2.825 20 30 CFEDMO CN(CC#Cc1cccc(Cl)c1)CC[N@@H+](C)C1CC1 ZINC000186786006 329348720 /nfs/dbraw/zinc/34/87/20/329348720.db2.gz JBVHVJDTNDICOZ-UHFFFAOYSA-N 1 1 276.811 2.718 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190179354 329392619 /nfs/dbraw/zinc/39/26/19/329392619.db2.gz KCTKVQIFZVBWCY-QWRGUYRKSA-N 1 1 292.345 2.588 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C(F)(F)F)C(C)(C)C1 ZINC000190179354 329392621 /nfs/dbraw/zinc/39/26/21/329392621.db2.gz KCTKVQIFZVBWCY-QWRGUYRKSA-N 1 1 292.345 2.588 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000112560120 329542203 /nfs/dbraw/zinc/54/22/03/329542203.db2.gz XDIKMOMTZXPSCB-AWEZNQCLSA-N 1 1 275.396 2.854 20 30 CFEDMO C=C(C)CCc1noc([C@H]2CCn3cc[nH+]c3C2)n1 ZINC000350326900 329603089 /nfs/dbraw/zinc/60/30/89/329603089.db2.gz GEMOHXZYGOKKGI-NSHDSACASA-N 1 1 258.325 2.505 20 30 CFEDMO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)C1CC1 ZINC000271384228 330079349 /nfs/dbraw/zinc/07/93/49/330079349.db2.gz IVBUUSHRHUFBIA-ZDUSSCGKSA-N 1 1 258.365 2.514 20 30 CFEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1)C1CC1 ZINC000271384228 330079353 /nfs/dbraw/zinc/07/93/53/330079353.db2.gz IVBUUSHRHUFBIA-ZDUSSCGKSA-N 1 1 258.365 2.514 20 30 CFEDMO C=C(C)C[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000272456100 330086104 /nfs/dbraw/zinc/08/61/04/330086104.db2.gz CUJGMSKWXAUFMZ-ZDUSSCGKSA-N 1 1 284.197 2.990 20 30 CFEDMO N#CCC[C@@H](C#N)CN[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000580435279 330133412 /nfs/dbraw/zinc/13/34/12/330133412.db2.gz RNCBKUAYMDMJNZ-ROUUACIJSA-N 1 1 296.418 2.684 20 30 CFEDMO N#CCC[C@@H](C#N)CN[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000580435279 330133414 /nfs/dbraw/zinc/13/34/14/330133414.db2.gz RNCBKUAYMDMJNZ-ROUUACIJSA-N 1 1 296.418 2.684 20 30 CFEDMO C[C@@H](C#N)C[N@H+](C)C[C@H]1CCC2(CCCCC2)O1 ZINC000299936092 330145261 /nfs/dbraw/zinc/14/52/61/330145261.db2.gz KMGMJKOAMORSQM-UONOGXRCSA-N 1 1 250.386 2.960 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](C)C[C@H]1CCC2(CCCCC2)O1 ZINC000299936092 330145262 /nfs/dbraw/zinc/14/52/62/330145262.db2.gz KMGMJKOAMORSQM-UONOGXRCSA-N 1 1 250.386 2.960 20 30 CFEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000423094305 330169467 /nfs/dbraw/zinc/16/94/67/330169467.db2.gz JUMXMBZOAHTLOB-RANZSIQMSA-N 1 1 288.435 2.516 20 30 CFEDMO C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC1CCC(C#N)CC1 ZINC000423102725 330170269 /nfs/dbraw/zinc/17/02/69/330170269.db2.gz ORNLXLMOBQATKT-KUQKPQIMSA-N 1 1 285.435 2.864 20 30 CFEDMO N#C[C@@H]1CCC[C@H](NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000423415634 330197618 /nfs/dbraw/zinc/19/76/18/330197618.db2.gz DYSNKXBGYJEIJV-UKPHBRMFSA-N 1 1 269.392 2.545 20 30 CFEDMO C=C(C)C[NH2+]Cc1ncc(Br)cc1F ZINC000527705048 330275286 /nfs/dbraw/zinc/27/52/86/330275286.db2.gz KKKSJFTZNUSHBU-UHFFFAOYSA-N 1 1 259.122 2.649 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H]2CCCc3ccccc32)nn1 ZINC000424145226 330290272 /nfs/dbraw/zinc/29/02/72/330290272.db2.gz ULWSCMQJJLDVKQ-MRXNPFEDSA-N 1 1 268.364 2.631 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H](C)c2ccc3c(c2)CCC3)nn1 ZINC000424146893 330293952 /nfs/dbraw/zinc/29/39/52/330293952.db2.gz XOGWYPFWXNRXGW-CYBMUJFWSA-N 1 1 282.391 2.804 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(CC)cc2)nn1 ZINC000424293626 330335508 /nfs/dbraw/zinc/33/55/08/330335508.db2.gz IZFMCESAHZFZCR-ZDUSSCGKSA-N 1 1 270.380 2.877 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H]2c3cc(C)ccc3C[C@H]2C)nn1 ZINC000424299749 330336925 /nfs/dbraw/zinc/33/69/25/330336925.db2.gz WHKRESSGGCLPIB-CXAGYDPISA-N 1 1 282.391 2.796 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccccc2F)no1 ZINC000424334332 330343058 /nfs/dbraw/zinc/34/30/58/330343058.db2.gz FTQVFSSEHJPWJY-NSHDSACASA-N 1 1 260.272 2.569 20 30 CFEDMO C=CC(C)(C)C(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000448576507 330682575 /nfs/dbraw/zinc/68/25/75/330682575.db2.gz BDRRVVCIYPSDNG-UHFFFAOYSA-N 1 1 286.419 2.851 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000437974050 330712455 /nfs/dbraw/zinc/71/24/55/330712455.db2.gz KQUPMQSOSRTEQL-LBPRGKRZSA-N 1 1 260.366 2.920 20 30 CFEDMO CCC[C@@H]([NH2+]CC1CCC(C#N)CC1)C(=O)OCC ZINC000442099821 330773983 /nfs/dbraw/zinc/77/39/83/330773983.db2.gz PLCLBESDGIGHDM-JXQTWKCFSA-N 1 1 266.385 2.638 20 30 CFEDMO CC(C)(C)OCc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)no1 ZINC000442833372 330785937 /nfs/dbraw/zinc/78/59/37/330785937.db2.gz HOSCFIMVRPBVPF-NWDGAFQWSA-N 1 1 277.368 2.772 20 30 CFEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1csc(C(C)C)n1 ZINC000449519758 330933260 /nfs/dbraw/zinc/93/32/60/330933260.db2.gz MYUFAABOTXRGKI-NEPJUHHUSA-N 1 1 252.383 2.700 20 30 CFEDMO C=C(CC)C[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000449733417 330946424 /nfs/dbraw/zinc/94/64/24/330946424.db2.gz HVIYPMHNASXYJI-UHFFFAOYSA-N 1 1 256.353 2.632 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1Cc1ccn(CC(F)(F)F)n1 ZINC000450871815 331004053 /nfs/dbraw/zinc/00/40/53/331004053.db2.gz BLLUDECTUGYCNB-LBPRGKRZSA-N 1 1 273.302 2.986 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1ccn(CC(F)(F)F)n1 ZINC000450871815 331004054 /nfs/dbraw/zinc/00/40/54/331004054.db2.gz BLLUDECTUGYCNB-LBPRGKRZSA-N 1 1 273.302 2.986 20 30 CFEDMO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000450894553 331005459 /nfs/dbraw/zinc/00/54/59/331005459.db2.gz GAGCCXVOFZPTHE-NEPJUHHUSA-N 1 1 265.357 2.699 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000450894553 331005460 /nfs/dbraw/zinc/00/54/60/331005460.db2.gz GAGCCXVOFZPTHE-NEPJUHHUSA-N 1 1 265.357 2.699 20 30 CFEDMO CN(C)c1ccccc1C[N@H+](C)CC1(C#N)CCC1 ZINC000451044085 331013289 /nfs/dbraw/zinc/01/32/89/331013289.db2.gz UZDIARQFWAJBJT-UHFFFAOYSA-N 1 1 257.381 2.878 20 30 CFEDMO CN(C)c1ccccc1C[N@@H+](C)CC1(C#N)CCC1 ZINC000451044085 331013290 /nfs/dbraw/zinc/01/32/90/331013290.db2.gz UZDIARQFWAJBJT-UHFFFAOYSA-N 1 1 257.381 2.878 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451124288 331016624 /nfs/dbraw/zinc/01/66/24/331016624.db2.gz XELUHCGUZVHWGG-UKRRQHHQSA-N 1 1 270.392 2.624 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC000451124288 331016625 /nfs/dbraw/zinc/01/66/25/331016625.db2.gz XELUHCGUZVHWGG-UKRRQHHQSA-N 1 1 270.392 2.624 20 30 CFEDMO C=C(CC)C[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000451204938 331020417 /nfs/dbraw/zinc/02/04/17/331020417.db2.gz ADXNAEPGBQYYPS-UHFFFAOYSA-N 1 1 258.365 2.716 20 30 CFEDMO C=CCC[C@H](C)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451214208 331020905 /nfs/dbraw/zinc/02/09/05/331020905.db2.gz HJGXBBOGLYRAGZ-UONOGXRCSA-N 1 1 266.429 2.955 20 30 CFEDMO C[C@@H]1C[N@@H+](CCCC#N)C2(CCCC2)CN1CCCC#N ZINC000451348581 331025224 /nfs/dbraw/zinc/02/52/24/331025224.db2.gz XXQAGCLGLRFYAH-MRXNPFEDSA-N 1 1 288.439 2.913 20 30 CFEDMO C[C@@H]1CN(CCCC#N)C2(CCCC2)C[N@H+]1CCCC#N ZINC000451348581 331025226 /nfs/dbraw/zinc/02/52/26/331025226.db2.gz XXQAGCLGLRFYAH-MRXNPFEDSA-N 1 1 288.439 2.913 20 30 CFEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451350953 331025248 /nfs/dbraw/zinc/02/52/48/331025248.db2.gz HUBYUOVNQKNBMD-XHSDSOJGSA-N 1 1 267.413 2.595 20 30 CFEDMO C=CCCC[N@@H+]1C[C@@H](c2cnn(C)c2)C2(C1)CCOCC2 ZINC000451419233 331028676 /nfs/dbraw/zinc/02/86/76/331028676.db2.gz OCPIFLLYCAMHIB-INIZCTEOSA-N 1 1 289.423 2.582 20 30 CFEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@H]1C ZINC000451542508 331033226 /nfs/dbraw/zinc/03/32/26/331033226.db2.gz NTHKITOATJRXRP-PBHICJAKSA-N 1 1 272.392 3.000 20 30 CFEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nnc(-c2ccccc2)s1 ZINC000451605767 331036264 /nfs/dbraw/zinc/03/62/64/331036264.db2.gz FYMSDOBYIRIDBP-OLZOCXBDSA-N 1 1 287.388 2.638 20 30 CFEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1csc([C@@H](C)OC)n1 ZINC000451677769 331038629 /nfs/dbraw/zinc/03/86/29/331038629.db2.gz VOPDQCKWLLZTGB-RTXFEEFZSA-N 1 1 282.409 2.674 20 30 CFEDMO N#CCSCCC[N@H+]1CCOCC12CCCCC2 ZINC000451816585 331043705 /nfs/dbraw/zinc/04/37/05/331043705.db2.gz PAPWTOMCTRTHAH-UHFFFAOYSA-N 1 1 268.426 2.668 20 30 CFEDMO C=C(CC)C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000452007043 331050235 /nfs/dbraw/zinc/05/02/35/331050235.db2.gz PPCKQFQTBXRTDX-JKSUJKDBSA-N 1 1 273.376 2.841 20 30 CFEDMO C=C(C)CC[N@@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000452008122 331050316 /nfs/dbraw/zinc/05/03/16/331050316.db2.gz SBLJNUHFLRJYSD-HZPDHXFCSA-N 1 1 273.376 2.841 20 30 CFEDMO C[C@H]1CCC(C)(C)[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000452016447 331050516 /nfs/dbraw/zinc/05/05/16/331050516.db2.gz WOVLPXFPQDXXJA-AWEZNQCLSA-N 1 1 291.439 2.934 20 30 CFEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000452067916 331052723 /nfs/dbraw/zinc/05/27/23/331052723.db2.gz AYGPYCFSIULSBM-UONOGXRCSA-N 1 1 279.428 2.505 20 30 CFEDMO CC(C)[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC(C)(C)C1 ZINC000452104987 331054324 /nfs/dbraw/zinc/05/43/24/331054324.db2.gz NAKHUUYEZFGJTJ-QGZVFWFLSA-N 1 1 291.439 2.694 20 30 CFEDMO CC(C)[N@@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC(C)(C)C1 ZINC000452104934 331054383 /nfs/dbraw/zinc/05/43/83/331054383.db2.gz NAKHUUYEZFGJTJ-KRWDZBQOSA-N 1 1 291.439 2.694 20 30 CFEDMO C=CCOCC[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452117864 331054788 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C=C(C)CCNC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000454771123 331153118 /nfs/dbraw/zinc/15/31/18/331153118.db2.gz UVDQKIINNBANFY-OAHLLOKOSA-N 1 1 289.423 2.772 20 30 CFEDMO N#CCc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000455924281 331181293 /nfs/dbraw/zinc/18/12/93/331181293.db2.gz VLERZROHTMFZHL-HOTGVXAUSA-N 1 1 298.390 2.501 20 30 CFEDMO C=CCC(CC=C)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457045265 331210829 /nfs/dbraw/zinc/21/08/29/331210829.db2.gz AJAKEZWWQHAZLK-UHFFFAOYSA-N 1 1 264.413 2.745 20 30 CFEDMO C=CCC(C)(C)C(=O)NCC[N@H+]1CCCC1(C)C ZINC000457066366 331211223 /nfs/dbraw/zinc/21/12/23/331211223.db2.gz YWWZVEMNYFADSS-UHFFFAOYSA-N 1 1 252.402 2.579 20 30 CFEDMO C=C[C@](C)(CC)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457165685 331213596 /nfs/dbraw/zinc/21/35/96/331213596.db2.gz KIPNRQNBTMQBPN-OAHLLOKOSA-N 1 1 252.402 2.579 20 30 CFEDMO C=CC[C@H](C(=O)NC1C[NH+](C(C)C)C1)c1ccccc1 ZINC000457726188 331232483 /nfs/dbraw/zinc/23/24/83/331232483.db2.gz RNWGQJZJGIIQDB-INIZCTEOSA-N 1 1 272.392 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ZINC000975029964 613827729 /nfs/dbraw/zinc/82/77/29/613827729.db2.gz PLTPWVOWQLXHAE-OCCSQVGLSA-N 1 1 292.448 2.864 20 30 CFEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc(C)cc(C)c2)C(C)(C)C1 ZINC000977550566 613828342 /nfs/dbraw/zinc/82/83/42/613828342.db2.gz WYOGBYXFDOBFJP-INIZCTEOSA-N 1 1 286.419 2.930 20 30 CFEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cc(F)ccc2C)C(C)(C)C1 ZINC000974879891 613828680 /nfs/dbraw/zinc/82/86/80/613828680.db2.gz IQWFVDIKSYITTN-HNNXBMFYSA-N 1 1 290.382 2.760 20 30 CFEDMO C=CC[N@H+]1C[C@H](NC(=O)c2ccc(C3CC3)cn2)C(C)(C)C1 ZINC000977555738 613828702 /nfs/dbraw/zinc/82/87/02/613828702.db2.gz WMZGXENVMCEJKS-INIZCTEOSA-N 1 1 299.418 2.585 20 30 CFEDMO C=CC[N@H+]1C[C@H](NC(=O)c2cccc(Cl)c2)C(C)(C)C1 ZINC000977507120 613829131 /nfs/dbraw/zinc/82/91/31/613829131.db2.gz CKCPOMBXXUFRJA-AWEZNQCLSA-N 1 1 292.810 2.966 20 30 CFEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2cccc(C)c2C)C(C)(C)C1 ZINC000977579904 613829284 /nfs/dbraw/zinc/82/92/84/613829284.db2.gz YIWDYOJZGMKULJ-INIZCTEOSA-N 1 1 286.419 2.930 20 30 CFEDMO C=CC[N@@H+]1C[C@H](NC(=O)c2sc(C)cc2C)C(C)(C)C1 ZINC000974621673 613829993 /nfs/dbraw/zinc/82/99/93/613829993.db2.gz BCRBVKOTNNGGRH-ZDUSSCGKSA-N 1 1 292.448 2.991 20 30 CFEDMO C=CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccoc3C)CC[C@@H]2C1 ZINC000946468503 613833068 /nfs/dbraw/zinc/83/30/68/613833068.db2.gz ITDQIMARNXPSHO-GASCZTMLSA-N 1 1 288.391 2.558 20 30 CFEDMO C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)c3occc3C)C[C@@H]2C1 ZINC000979503870 613833820 /nfs/dbraw/zinc/83/38/20/613833820.db2.gz MSAIDGHPGSCKFT-ZNMIVQPWSA-N 1 1 288.391 2.604 20 30 CFEDMO C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)c3ccsc3)C[C@@H]2C1 ZINC000979535804 613834082 /nfs/dbraw/zinc/83/40/82/613834082.db2.gz VYLLGAPEIZXCHC-NWANDNLSSA-N 1 1 290.432 2.764 20 30 CFEDMO C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C)CCCC3)C[C@@H]2C1 ZINC000980149593 613834112 /nfs/dbraw/zinc/83/41/12/613834112.db2.gz LNIQIMRURBORCY-ARFHVFGLSA-N 1 1 290.451 2.969 20 30 CFEDMO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1sccc1C(F)F ZINC000962417628 613844780 /nfs/dbraw/zinc/84/47/80/613844780.db2.gz CWKCQVBWODVSEE-URLYPYJESA-N 1 1 298.358 2.532 20 30 CFEDMO CC(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H](C)C1 ZINC000947071159 613955665 /nfs/dbraw/zinc/95/56/65/613955665.db2.gz QFMWZKGJRJKGMX-PBHICJAKSA-N 1 1 299.418 2.683 20 30 CFEDMO CC(C)C(=O)N[C@H]1C[N@@H+](Cc2cccc(C#N)c2)CC[C@H]1C ZINC000965248148 613959869 /nfs/dbraw/zinc/95/98/69/613959869.db2.gz RWEYVDUPEFCJDU-PBHICJAKSA-N 1 1 299.418 2.541 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H](C)C#N)CC2)C1 ZINC000961349792 614655447 /nfs/dbraw/zinc/65/54/47/614655447.db2.gz UXLUPRLBHZLRDA-GOEBONIOSA-N 1 1 291.439 2.507 20 30 CFEDMO C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000900799443 620716029 /nfs/dbraw/zinc/71/60/29/620716029.db2.gz IOBYSNPPNYMOGX-ZIAGYGMSSA-N 1 1 266.429 2.920 20 30 CFEDMO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)n1 ZINC000926318117 617894454 /nfs/dbraw/zinc/89/44/54/617894454.db2.gz ULQKFQHCKZEIQA-MEDUHNTESA-N 1 1 295.390 2.816 20 30 CFEDMO CSC[C@@H]1CCC[N@H+]1Cc1csc(C#N)c1 ZINC000892137001 617968506 /nfs/dbraw/zinc/96/85/06/617968506.db2.gz QQMRLPSSTDKYLF-NSHDSACASA-N 1 1 252.408 2.947 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC)C1 ZINC001021499236 618030625 /nfs/dbraw/zinc/03/06/25/618030625.db2.gz MZNZZWFIINSRTM-HUUCEWRRSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CC[C@H]1CC[N@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000934461655 618041425 /nfs/dbraw/zinc/04/14/25/618041425.db2.gz OALLGWPZDFIZDZ-NSHDSACASA-N 1 1 280.299 2.893 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000934461655 618041429 /nfs/dbraw/zinc/04/14/29/618041429.db2.gz OALLGWPZDFIZDZ-NSHDSACASA-N 1 1 280.299 2.893 20 30 CFEDMO C#CC[N@@H+](CCOCCC#N)[C@H]1CCCc2ccccc21 ZINC000933421825 617624611 /nfs/dbraw/zinc/62/46/11/617624611.db2.gz XVLUHZPGTMQPGN-SFHVURJKSA-N 1 1 282.387 2.929 20 30 CFEDMO C=CCCCN(CC)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000891501440 617639350 /nfs/dbraw/zinc/63/93/50/617639350.db2.gz LUOQJANEQVCQSV-CQSZACIVSA-N 1 1 293.411 2.880 20 30 CFEDMO C=CC[C@@H]1CCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000890550188 617641268 /nfs/dbraw/zinc/64/12/68/617641268.db2.gz IIOLSDQCMIYNFW-CHWSQXEVSA-N 1 1 261.369 2.574 20 30 CFEDMO C=CC[C@@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000890555360 617648213 /nfs/dbraw/zinc/64/82/13/617648213.db2.gz ISCTVYADYADLHV-HIFRSBDPSA-N 1 1 262.397 2.570 20 30 CFEDMO C[C@H]1C(=NOCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000811647381 617659085 /nfs/dbraw/zinc/65/90/85/617659085.db2.gz JRGKEHTZGHLVFX-NSHDSACASA-N 1 1 268.307 2.919 20 30 CFEDMO Cc1cc(C#N)ccc1C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932351992 617688563 /nfs/dbraw/zinc/68/85/63/617688563.db2.gz CHMNNJFLGCMLFZ-MRXNPFEDSA-N 1 1 278.359 2.898 20 30 CFEDMO CC(C)[N@H+](CCC#N)C[C@H]1C[C@]1(C)Br ZINC000891693948 617714201 /nfs/dbraw/zinc/71/42/01/617714201.db2.gz JNIWAMGORJDGAG-MNOVXSKESA-N 1 1 259.191 2.784 20 30 CFEDMO CC(C)[N@@H+](CCC#N)C[C@H]1C[C@]1(C)Br ZINC000891693948 617714208 /nfs/dbraw/zinc/71/42/08/617714208.db2.gz JNIWAMGORJDGAG-MNOVXSKESA-N 1 1 259.191 2.784 20 30 CFEDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000891754433 617740513 /nfs/dbraw/zinc/74/05/13/617740513.db2.gz NFPDSRFKTUZZPT-ZDUSSCGKSA-N 1 1 286.404 2.733 20 30 CFEDMO C[C@@H]1C[NH+](Cc2csc(C#N)c2)C[C@@H](C)S1 ZINC000891821926 617769877 /nfs/dbraw/zinc/76/98/77/617769877.db2.gz ICDHIUKFYJCUQN-NXEZZACHSA-N 1 1 252.408 2.946 20 30 CFEDMO Cc1cccc(C)c1C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000933764735 617772420 /nfs/dbraw/zinc/77/24/20/617772420.db2.gz XRVKKOHOCVYSNS-OAHLLOKOSA-N 1 1 299.418 2.686 20 30 CFEDMO C#CC[N@H+](Cc1c2c(nn1C)CCC2)C1CCCCC1 ZINC000891825031 617772467 /nfs/dbraw/zinc/77/24/67/617772467.db2.gz XHCSINPRQWGFHX-UHFFFAOYSA-N 1 1 271.408 2.677 20 30 CFEDMO C#CC[N@H+](CCc1nc2ccccc2n1C)C(C)(C)C ZINC000932464230 617776473 /nfs/dbraw/zinc/77/64/73/617776473.db2.gz VXTYGSGEZSSLEU-UHFFFAOYSA-N 1 1 269.392 2.850 20 30 CFEDMO N#CC1CC[NH+](Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000891852925 617786338 /nfs/dbraw/zinc/78/63/38/617786338.db2.gz WQJSDRSJPUTCSD-UHFFFAOYSA-N 1 1 289.326 2.983 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CCCSC[C@@H]2C2CC2)nn1 ZINC000933911866 617815218 /nfs/dbraw/zinc/81/52/18/617815218.db2.gz GGFXNXPQHFMGTK-OAHLLOKOSA-N 1 1 292.452 2.572 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933916357 617817552 /nfs/dbraw/zinc/81/75/52/617817552.db2.gz QNACMAUKNCBBLU-KGLIPLIRSA-N 1 1 255.427 2.531 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CCc2cc(C#N)ccc21)c1cn(C)cn1 ZINC000926315427 617887871 /nfs/dbraw/zinc/88/78/71/617887871.db2.gz JZBMTWXFYHNLBR-XHDPSFHLSA-N 1 1 266.348 2.630 20 30 CFEDMO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)n1 ZINC000926318118 617894321 /nfs/dbraw/zinc/89/43/21/617894321.db2.gz ULQKFQHCKZEIQA-ZBEGNZNMSA-N 1 1 295.390 2.816 20 30 CFEDMO C=CC[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)N2CCOC ZINC000926351678 617955618 /nfs/dbraw/zinc/95/56/18/617955618.db2.gz RSSYSGVIUMXWHM-HNSVSWJLSA-N 1 1 266.429 2.573 20 30 CFEDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2csc(C#N)c2)C1 ZINC000892133159 617967872 /nfs/dbraw/zinc/96/78/72/617967872.db2.gz JFLWHYKSKHGARS-ZDUSSCGKSA-N 1 1 277.437 2.783 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)cs1 ZINC000892147314 617972869 /nfs/dbraw/zinc/97/28/69/617972869.db2.gz VBTWIDNWYBZPTJ-CQSZACIVSA-N 1 1 276.405 2.868 20 30 CFEDMO Cc1c(Cl)ccc(C=NNC2=[NH+]C[C@H](C)N2)c1Cl ZINC000901215296 620766452 /nfs/dbraw/zinc/76/64/52/620766452.db2.gz JANWEXXKWBXUNH-ZETCQYMHSA-N 1 1 285.178 2.573 20 30 CFEDMO CC(C)CO[C@@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892224936 618014211 /nfs/dbraw/zinc/01/42/11/618014211.db2.gz KWAGGSJDVOJSSE-CYBMUJFWSA-N 1 1 264.394 2.867 20 30 CFEDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)C1 ZINC000892224936 618014213 /nfs/dbraw/zinc/01/42/13/618014213.db2.gz KWAGGSJDVOJSSE-CYBMUJFWSA-N 1 1 264.394 2.867 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CCCC2)C1 ZINC001021492793 618027407 /nfs/dbraw/zinc/02/74/07/618027407.db2.gz LKRNSXINKPAVLU-JKSUJKDBSA-N 1 1 276.424 2.676 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CSC)C1 ZINC001021512887 618036618 /nfs/dbraw/zinc/03/66/18/618036618.db2.gz AYHNVZRVPVRCPC-HUUCEWRRSA-N 1 1 296.480 2.629 20 30 CFEDMO C=CC[C@H]1CC[N@H+]1C[C@@H]1CN(c2ccccc2)CCO1 ZINC000934458705 618038245 /nfs/dbraw/zinc/03/82/45/618038245.db2.gz CIDVVAKLLKIIJA-DOTOQJQBSA-N 1 1 272.392 2.542 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+]1C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000934462618 618040851 /nfs/dbraw/zinc/04/08/51/618040851.db2.gz RLQKVJKUQSZOGA-BDAKNGLRSA-N 1 1 273.245 2.585 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(C)C)C1 ZINC001021525714 618042377 /nfs/dbraw/zinc/04/23/77/618042377.db2.gz HLWQGNYKDHOJHX-LSDHHAIUSA-N 1 1 264.413 2.531 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000934462047 618042971 /nfs/dbraw/zinc/04/29/71/618042971.db2.gz QHSIWXXFGXHWAW-KGLIPLIRSA-N 1 1 280.412 2.894 20 30 CFEDMO C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000934468045 618044225 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C[C@H](NCC[N@@H+]1CCC(C)(C)C1)c1cccc(C#N)c1 ZINC000901685882 620893862 /nfs/dbraw/zinc/89/38/62/620893862.db2.gz RKNPAHQHBDYKQW-AWEZNQCLSA-N 1 1 271.408 2.941 20 30 CFEDMO C[C@H](NCC[N@H+]1CCC(C)(C)C1)c1cccc(C#N)c1 ZINC000901685882 620893865 /nfs/dbraw/zinc/89/38/65/620893865.db2.gz RKNPAHQHBDYKQW-AWEZNQCLSA-N 1 1 271.408 2.941 20 30 CFEDMO COCCCO[NH+]=C(N)C12CC3CC(CC(C3)C1)C2 ZINC000183242208 625447553 /nfs/dbraw/zinc/44/75/53/625447553.db2.gz BDFNLHIDTLIHLT-UHFFFAOYSA-N 1 1 266.385 2.528 20 30 CFEDMO CCc1ccc(C=NOCCCc2c[nH+]cn2C)cc1 ZINC000902149731 620987500 /nfs/dbraw/zinc/98/75/00/620987500.db2.gz OCHOUYLCHNSXBV-UHFFFAOYSA-N 1 1 271.364 2.966 20 30 CFEDMO Cc1cc(NCc2cc(C#N)ccc2N(C)C)nc(C)[nH+]1 ZINC000902169032 620992672 /nfs/dbraw/zinc/99/26/72/620992672.db2.gz BVINBKCLJIMWMR-UHFFFAOYSA-N 1 1 281.363 2.643 20 30 CFEDMO C=C(C)C[N@H+](C)CN1CCN(Cc2cccc(F)c2)C1=O ZINC000902214475 620994583 /nfs/dbraw/zinc/99/45/83/620994583.db2.gz VPUIXBSZFMEGIY-UHFFFAOYSA-N 1 1 291.370 2.529 20 30 CFEDMO C=C(C)C[N@@H+](C)CN1CCN(Cc2cccc(F)c2)C1=O ZINC000902214475 620994584 /nfs/dbraw/zinc/99/45/84/620994584.db2.gz VPUIXBSZFMEGIY-UHFFFAOYSA-N 1 1 291.370 2.529 20 30 CFEDMO CC1(C)C[NH2+]CC[C@H](NC2(c3cccc(C#N)c3)CC2)C1 ZINC000902368070 621043234 /nfs/dbraw/zinc/04/32/34/621043234.db2.gz FNPRFLFAITUNAR-INIZCTEOSA-N 1 1 283.419 2.915 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000801912802 621044453 /nfs/dbraw/zinc/04/44/53/621044453.db2.gz DEDQSDFGKDHSSK-ZDUSSCGKSA-N 1 1 262.353 2.953 20 30 CFEDMO C[C@@H](N[C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccc(C#N)cc1 ZINC000902438303 621080111 /nfs/dbraw/zinc/08/01/11/621080111.db2.gz MFCDLVZXAHHVFX-NXOUGTEYSA-N 1 1 277.371 2.834 20 30 CFEDMO C#CC[N@@H+](Cc1cc(C)cc(C)c1O)C1CCN(C)CC1 ZINC000902538768 621113492 /nfs/dbraw/zinc/11/34/92/621113492.db2.gz VMWPHRBCFIKKNN-UHFFFAOYSA-N 1 1 286.419 2.538 20 30 CFEDMO C#CCN(Cc1cc(C)cc(C)c1O)C1CC[NH+](C)CC1 ZINC000902538768 621113496 /nfs/dbraw/zinc/11/34/96/621113496.db2.gz VMWPHRBCFIKKNN-UHFFFAOYSA-N 1 1 286.419 2.538 20 30 CFEDMO C[C@H]1CCN(C[NH+]2CCC(c3ccc(C#N)cc3)CC2)C1=O ZINC000902593852 621126750 /nfs/dbraw/zinc/12/67/50/621126750.db2.gz MZULJKXJWWSJLD-AWEZNQCLSA-N 1 1 297.402 2.564 20 30 CFEDMO C=CCc1cc(C[N@H+](C)[C@H]2CC[C@H]2OC)c(O)c(OC)c1 ZINC000902636021 621140469 /nfs/dbraw/zinc/14/04/69/621140469.db2.gz DGMIBLYIJPSMLM-LSDHHAIUSA-N 1 1 291.391 2.739 20 30 CFEDMO C=CCCC[N@H+](CC)CN1Cc2ccccc2C1=O ZINC000902669936 621148423 /nfs/dbraw/zinc/14/84/23/621148423.db2.gz UYHDPDHMRXDZAH-UHFFFAOYSA-N 1 1 258.365 2.888 20 30 CFEDMO C[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccn1 ZINC000902721163 621156863 /nfs/dbraw/zinc/15/68/63/621156863.db2.gz VGICSFVAHHPSQF-RYUDHWBXSA-N 1 1 252.321 2.760 20 30 CFEDMO CC[C@@H](NCC[NH+](CC)CC)c1cccc(C#N)c1 ZINC000902723132 621157596 /nfs/dbraw/zinc/15/75/96/621157596.db2.gz LXEZWOLMEAJDBT-MRXNPFEDSA-N 1 1 259.397 2.941 20 30 CFEDMO CCn1nc(C)c([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000924784784 621163075 /nfs/dbraw/zinc/16/30/75/621163075.db2.gz IITFTDMUFNRBBL-RYUDHWBXSA-N 1 1 283.379 2.890 20 30 CFEDMO COc1ccc(C[NH2+][C@H](C)c2cc(C#N)ccn2)c(OC)c1 ZINC000902756838 621165718 /nfs/dbraw/zinc/16/57/18/621165718.db2.gz MSPISLZNNYAHPZ-GFCCVEGCSA-N 1 1 297.358 2.821 20 30 CFEDMO CCc1cc(C#N)c(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)s1 ZINC000902773951 621170717 /nfs/dbraw/zinc/17/07/17/621170717.db2.gz OOBAJMWEIQSLBM-CYBMUJFWSA-N 1 1 291.420 2.993 20 30 CFEDMO CCc1cc(C#N)c(NC(=O)[C@H]2CCC[N@H+]2C(C)C)s1 ZINC000902773951 621170718 /nfs/dbraw/zinc/17/07/18/621170718.db2.gz OOBAJMWEIQSLBM-CYBMUJFWSA-N 1 1 291.420 2.993 20 30 CFEDMO CCn1nc(C)c(C[NH2+][C@H](C)c2cc(C#N)ccn2)c1C ZINC000902789412 621177124 /nfs/dbraw/zinc/17/71/24/621177124.db2.gz JURZPGRZFWWADL-GFCCVEGCSA-N 1 1 283.379 2.637 20 30 CFEDMO CCC1(CC(N)=[NH+]O[C@@H](C)c2cccc(C#N)c2)COC1 ZINC000902873234 621194425 /nfs/dbraw/zinc/19/44/25/621194425.db2.gz AKVJRZQHXCDWIP-LBPRGKRZSA-N 1 1 287.363 2.934 20 30 CFEDMO CCC1(CC(N)=[NH+]O[C@H](C)c2ccc(C#N)cc2)COC1 ZINC000902873506 621194608 /nfs/dbraw/zinc/19/46/08/621194608.db2.gz HYFIAZBIRBDQHE-GFCCVEGCSA-N 1 1 287.363 2.934 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)N[C@H](C)c1cc(C#N)ccn1 ZINC000902996078 621223507 /nfs/dbraw/zinc/22/35/07/621223507.db2.gz JJXREEMQHNRCBE-ZIAGYGMSSA-N 1 1 274.412 2.724 20 30 CFEDMO Cc1cc(C[NH2+][C@H](C)c2cc(C#N)ccn2)ccn1 ZINC000903005313 621227910 /nfs/dbraw/zinc/22/79/10/621227910.db2.gz RVKKFUGBZQWSPG-GFCCVEGCSA-N 1 1 252.321 2.508 20 30 CFEDMO C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1cc(C#N)ccn1 ZINC000903049993 621241634 /nfs/dbraw/zinc/24/16/34/621241634.db2.gz NFJOFDLBAGOPBE-MZPVMMEZSA-N 1 1 279.343 2.782 20 30 CFEDMO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000903106068 621255229 /nfs/dbraw/zinc/25/52/29/621255229.db2.gz MDVVSNDAIJBJLY-NSHDSACASA-N 1 1 259.309 2.858 20 30 CFEDMO COc1cc([C@H](C)[NH2+]CC2(C#N)CCCC2)ccn1 ZINC000903108998 621256179 /nfs/dbraw/zinc/25/61/79/621256179.db2.gz KAHMIHXYTZJZEZ-LBPRGKRZSA-N 1 1 259.353 2.825 20 30 CFEDMO COC(=O)c1ccc([C@H](C)[NH2+]CC2(C#N)CC2)c(C)c1 ZINC000903109307 621256835 /nfs/dbraw/zinc/25/68/35/621256835.db2.gz NBDNQBRYYNTEGR-LBPRGKRZSA-N 1 1 272.348 2.736 20 30 CFEDMO C=CCC[C@@H](NC[C@H](O)C[NH+](C)C)c1cccc(Cl)c1 ZINC000903091970 621257536 /nfs/dbraw/zinc/25/75/36/621257536.db2.gz DXGWDFQRFCBNLR-JKSUJKDBSA-N 1 1 296.842 2.859 20 30 CFEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc2c(c1)COC2 ZINC000903264452 621304575 /nfs/dbraw/zinc/30/45/75/621304575.db2.gz UBKAKDNHRFXSAS-SNVBAGLBSA-N 1 1 285.372 2.896 20 30 CFEDMO COc1cccc([C@H](C)[NH2+]Cc2nc(C#N)cs2)c1O ZINC000903265041 621304804 /nfs/dbraw/zinc/30/48/04/621304804.db2.gz XSSPPQJFHMYVPY-VIFPVBQESA-N 1 1 289.360 2.580 20 30 CFEDMO N#CC1CCC(C[N@H+]2CCc3ccccc3[C@H]2CN)CC1 ZINC000903460794 621381103 /nfs/dbraw/zinc/38/11/03/621381103.db2.gz IGHROQJENURVJX-JTTJXQCZSA-N 1 1 283.419 2.874 20 30 CFEDMO N#CC1CCC(CN2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000903460794 621381106 /nfs/dbraw/zinc/38/11/06/621381106.db2.gz IGHROQJENURVJX-JTTJXQCZSA-N 1 1 283.419 2.874 20 30 CFEDMO N#CC1CCC(CN[C@H]2CC[NH2+]C23CCCC3)CC1 ZINC000903481656 621391801 /nfs/dbraw/zinc/39/18/01/621391801.db2.gz IULQTQXQCOTYRP-NRXISQOPSA-N 1 1 261.413 2.581 20 30 CFEDMO C[C@@H]1CC[C@@H](CN)[N@@H+](CC2CCC(C#N)CC2)[C@H]1C ZINC000903482853 621393017 /nfs/dbraw/zinc/39/30/17/621393017.db2.gz VUNOLMLZHCUSBT-HRMROMONSA-N 1 1 263.429 2.764 20 30 CFEDMO N#CC1(CCCC[N@H+]2C[C@H]3CCC[C@@H](C2)N3)CCC1 ZINC000903752078 621433349 /nfs/dbraw/zinc/43/33/49/621433349.db2.gz QVEASMXTJZVPNY-GASCZTMLSA-N 1 1 261.413 2.677 20 30 CFEDMO N#CC1(CCCC[N@@H+]2C[C@H]3CCC[C@@H](C2)N3)CCC1 ZINC000903752078 621433351 /nfs/dbraw/zinc/43/33/51/621433351.db2.gz QVEASMXTJZVPNY-GASCZTMLSA-N 1 1 261.413 2.677 20 30 CFEDMO N#CC1(CCCC[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000903770278 621437744 /nfs/dbraw/zinc/43/77/44/621437744.db2.gz WHXUXVUJDGQNLW-HOCLYGCPSA-N 1 1 261.413 2.664 20 30 CFEDMO N#CC1(CCCC[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000903770278 621437747 /nfs/dbraw/zinc/43/77/47/621437747.db2.gz WHXUXVUJDGQNLW-HOCLYGCPSA-N 1 1 261.413 2.664 20 30 CFEDMO C#CC[NH+]1CCC(c2nc(CCCCSC)no2)CC1 ZINC000903785770 621442035 /nfs/dbraw/zinc/44/20/35/621442035.db2.gz PICSPYIJRYGGJD-UHFFFAOYSA-N 1 1 293.436 2.568 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC000832714280 625490732 /nfs/dbraw/zinc/49/07/32/625490732.db2.gz AFGLNVHOTXVTCR-LBPRGKRZSA-N 1 1 263.385 2.697 20 30 CFEDMO C[C@H](C[C@@H]1CCC[NH2+]1)N[C@@H](C)c1cccc(C#N)c1 ZINC000903949402 621486370 /nfs/dbraw/zinc/48/63/70/621486370.db2.gz AMKSRCSISABNRZ-WWGRRREGSA-N 1 1 257.381 2.739 20 30 CFEDMO C[N@@H+]1CCCC[C@@H]1C(=O)N(O)Cc1ccccc1Cl ZINC000904188680 621545511 /nfs/dbraw/zinc/54/55/11/621545511.db2.gz JKVGOQKSVZHCPA-CYBMUJFWSA-N 1 1 282.771 2.542 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1C(=O)N(O)Cc1ccccc1Cl ZINC000904188680 621545512 /nfs/dbraw/zinc/54/55/12/621545512.db2.gz JKVGOQKSVZHCPA-CYBMUJFWSA-N 1 1 282.771 2.542 20 30 CFEDMO CCn1cnc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1 ZINC000904435514 621595769 /nfs/dbraw/zinc/59/57/69/621595769.db2.gz AJJIFDQCIJXMSO-UHFFFAOYSA-N 1 1 268.364 2.800 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2cn3ccccc3n2)no1 ZINC000904531545 621605091 /nfs/dbraw/zinc/60/50/91/621605091.db2.gz NRAMVRQGRLSXDW-ZDUSSCGKSA-N 1 1 297.362 2.664 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ncccc2C)no1 ZINC000904539846 621606470 /nfs/dbraw/zinc/60/64/70/621606470.db2.gz YKTGYEBVDNPAEI-NSHDSACASA-N 1 1 258.325 2.796 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(CCCOC(C)C)no1 ZINC000904615273 621616220 /nfs/dbraw/zinc/61/62/20/621616220.db2.gz JDSBPDUSXKGZLM-LBPRGKRZSA-N 1 1 267.373 2.783 20 30 CFEDMO C=CCn1cccc1C(=O)N[C@]12CCC[C@@H]1[N@@H+](CC=C)CC2 ZINC000991065488 621803616 /nfs/dbraw/zinc/80/36/16/621803616.db2.gz FNRXDMGGUHVOBV-WMZOPIPTSA-N 1 1 299.418 2.587 20 30 CFEDMO CC(C)(C)c1coc(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)n1 ZINC000905668722 621813642 /nfs/dbraw/zinc/81/36/42/621813642.db2.gz XCKAKCQBRFWOEB-CQSZACIVSA-N 1 1 299.374 2.667 20 30 CFEDMO C=CC[C@H]([NH2+]CCCCc1ccccc1)C(=O)OC ZINC000905747056 621830886 /nfs/dbraw/zinc/83/08/86/621830886.db2.gz HVKOHGUNHNWBLC-HNNXBMFYSA-N 1 1 261.365 2.717 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@H](C)CC2)c1O ZINC000905738413 621840992 /nfs/dbraw/zinc/84/09/92/621840992.db2.gz LFMVMVKAJKPCFF-CYBMUJFWSA-N 1 1 291.391 2.740 20 30 CFEDMO C[N@@H+](Cc1cn(CCc2ccc(C#N)cc2)nn1)C(C)(C)C ZINC000905807962 621869172 /nfs/dbraw/zinc/86/91/72/621869172.db2.gz CTGSOJBKROBTBQ-UHFFFAOYSA-N 1 1 297.406 2.623 20 30 CFEDMO C=CC[C@H]([NH2+]CC1(SC)CCCCC1)C(=O)OC ZINC000905833302 621872865 /nfs/dbraw/zinc/87/28/65/621872865.db2.gz CXZFDROSDWOENN-LBPRGKRZSA-N 1 1 271.426 2.760 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC000905921409 621901223 /nfs/dbraw/zinc/90/12/23/621901223.db2.gz JEMDQDQUHUHLJK-OFQRWUPVSA-N 1 1 278.396 2.875 20 30 CFEDMO C=C[C@H](CC)CC(=O)N1[C@H](C)C[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000905982340 621913606 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Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCn2ccnc21 ZINC000922151593 626218551 /nfs/dbraw/zinc/21/85/51/626218551.db2.gz PSBPHVCELNJZCE-OAHLLOKOSA-N 1 1 266.348 2.606 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(NC(=O)[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC001003194884 626223830 /nfs/dbraw/zinc/22/38/30/626223830.db2.gz AHFVRHWQSOFFJX-NWANDNLSSA-N 1 1 296.842 2.756 20 30 CFEDMO Cc1nccnc1[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000922327969 626271970 /nfs/dbraw/zinc/27/19/70/626271970.db2.gz MDYSGWDYUKVVQH-SNVBAGLBSA-N 1 1 258.350 2.569 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)CC)CC1 ZINC001004308415 626342367 /nfs/dbraw/zinc/34/23/67/626342367.db2.gz BLQWWFODIBSCHJ-AWEZNQCLSA-N 1 1 284.831 2.852 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(F)F)CC1 ZINC001004312409 626344374 /nfs/dbraw/zinc/34/43/74/626344374.db2.gz OGDGKMKPUXRCSL-CYBMUJFWSA-N 1 1 286.366 2.531 20 30 CFEDMO C=CC[N@H+]1CCC[C@H]1C1CCN(C(=O)c2ccncc2)CC1 ZINC001004334074 626354514 /nfs/dbraw/zinc/35/45/14/626354514.db2.gz KRKGSNFCFHKGOE-KRWDZBQOSA-N 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/nfs/dbraw/zinc/38/01/46/626380146.db2.gz OKDBAISLIBQVPP-INIZCTEOSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2(CF)CC2)CC1 ZINC001004538853 626389751 /nfs/dbraw/zinc/38/97/51/626389751.db2.gz BPBYNRDYFZLHJI-OAHLLOKOSA-N 1 1 294.414 2.625 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2(CC)CC2)CC1 ZINC001004541290 626389794 /nfs/dbraw/zinc/38/97/94/626389794.db2.gz XBIAOEVQAYIFOK-INIZCTEOSA-N 1 1 288.435 2.513 20 30 CFEDMO CCCCCCCC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000186960881 626408024 /nfs/dbraw/zinc/40/80/24/626408024.db2.gz UTDDRMJGQPCOPM-OAHLLOKOSA-N 1 1 298.471 2.651 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(N(C)C(=O)c2ccoc2)CC1 ZINC001005110264 626411715 /nfs/dbraw/zinc/41/17/15/626411715.db2.gz FAQYKOPBPCWBFU-UHFFFAOYSA-N 1 1 282.771 2.569 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)C[C@H](O)c1ccccn1 ZINC000851737493 634501266 /nfs/dbraw/zinc/50/12/66/634501266.db2.gz FXKJHMIYYINYNQ-SFHVURJKSA-N 1 1 282.387 2.846 20 30 CFEDMO C#CCOCC[N@H+](CC)Cc1ccc(Cl)cc1 ZINC000851739009 634502018 /nfs/dbraw/zinc/50/20/18/634502018.db2.gz ZTPGDCZGOYPEAA-UHFFFAOYSA-N 1 1 251.757 2.812 20 30 CFEDMO Cc1cc(C[NH2+]Cc2cc(C3CC3)n(C)n2)ccc1C#N ZINC000922952458 626430066 /nfs/dbraw/zinc/43/00/66/626430066.db2.gz CEZUHAMHKMXLMB-UHFFFAOYSA-N 1 1 280.375 2.767 20 30 CFEDMO C=CC[N@H+](CCOC(F)F)Cc1cccc(C#N)c1 ZINC000851738463 634502608 /nfs/dbraw/zinc/50/26/08/634502608.db2.gz HOWPNTKFVOIRJA-UHFFFAOYSA-N 1 1 266.291 2.785 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)CCC(OC)OC ZINC000851738139 634502794 /nfs/dbraw/zinc/50/27/94/634502794.db2.gz WJHNJQDITJKQOV-UHFFFAOYSA-N 1 1 263.381 2.726 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCOC(=O)c1ccsc1C#N ZINC000923566275 626479888 /nfs/dbraw/zinc/47/98/88/626479888.db2.gz OQSXSEWMOFVSFV-NSHDSACASA-N 1 1 278.377 2.651 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC000923594268 626480950 /nfs/dbraw/zinc/48/09/50/626480950.db2.gz IARXHKKSQDTZFR-MRXNPFEDSA-N 1 1 292.382 2.667 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc3ccccc32)C1 ZINC000923594268 626480951 /nfs/dbraw/zinc/48/09/51/626480951.db2.gz IARXHKKSQDTZFR-MRXNPFEDSA-N 1 1 292.382 2.667 20 30 CFEDMO CC1(CCCC[N@H+]2CCC[C@](C)(C#N)C2)OCCO1 ZINC000838928831 626516032 /nfs/dbraw/zinc/51/60/32/626516032.db2.gz BKZMDNAHUUTCBX-CQSZACIVSA-N 1 1 266.385 2.545 20 30 CFEDMO C#CC[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccccc1 ZINC000866998173 626517376 /nfs/dbraw/zinc/51/73/76/626517376.db2.gz IKXOMJSCOPOMLC-YESZJQIVSA-N 1 1 284.403 2.598 20 30 CFEDMO CN(CCC#N)c1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000839193722 626531104 /nfs/dbraw/zinc/53/11/04/626531104.db2.gz WNEYXFBAJVLPHP-HOTGVXAUSA-N 1 1 287.432 2.726 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000839476595 626537597 /nfs/dbraw/zinc/53/75/97/626537597.db2.gz LPHWLNVUPBDOQI-OLZOCXBDSA-N 1 1 281.400 2.525 20 30 CFEDMO N#CC1(CC[N@H+]2CCCC3(C2)OCCO3)CCCCC1 ZINC000839525341 626538110 /nfs/dbraw/zinc/53/81/10/626538110.db2.gz SLXHXTNLYODNJM-UHFFFAOYSA-N 1 1 278.396 2.689 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC)C1 ZINC000757104497 626544968 /nfs/dbraw/zinc/54/49/68/626544968.db2.gz UJAICDLJDJAKMG-KBPBESRZSA-N 1 1 280.412 2.635 20 30 CFEDMO C=C(Cl)C[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000839539225 626546389 /nfs/dbraw/zinc/54/63/89/626546389.db2.gz OMAZOXIFQCOXSR-AWEZNQCLSA-N 1 1 278.783 2.692 20 30 CFEDMO C=C(Cl)C[NH2+][C@@H](CC)c1ccccc1OCC(=O)NC ZINC000839537896 626546401 /nfs/dbraw/zinc/54/64/01/626546401.db2.gz BJZYTZPCZZDDIZ-ZDUSSCGKSA-N 1 1 296.798 2.605 20 30 CFEDMO COc1ccc(C[N@@H+](C)CCO[C@H](C)C#N)cc1Cl ZINC000839661265 626549969 /nfs/dbraw/zinc/54/99/69/626549969.db2.gz LCASBOSCRZBTFB-LLVKDONJSA-N 1 1 282.771 2.709 20 30 CFEDMO C#CC[N@H+](CCC(=O)OCCCC)C1CCCC1 ZINC000757419001 626551358 /nfs/dbraw/zinc/55/13/58/626551358.db2.gz HYLOEWZULZJJLB-UHFFFAOYSA-N 1 1 251.370 2.598 20 30 CFEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000839682099 626552193 /nfs/dbraw/zinc/55/21/93/626552193.db2.gz XTCRQMKXMRPZHL-SJORKVTESA-N 1 1 298.386 2.894 20 30 CFEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000839682099 626552194 /nfs/dbraw/zinc/55/21/94/626552194.db2.gz XTCRQMKXMRPZHL-SJORKVTESA-N 1 1 298.386 2.894 20 30 CFEDMO C#CCCOc1ccc(C[N@H+](C)[C@@H]2CCCOC2)cc1 ZINC000809693096 626553308 /nfs/dbraw/zinc/55/33/08/626553308.db2.gz OBAVGOCEMTXFFS-MRXNPFEDSA-N 1 1 273.376 2.700 20 30 CFEDMO C[C@H]1CC(N=Nc2ncccn2)C[N@H+]1Cc1ccccc1 ZINC000757585546 626556023 /nfs/dbraw/zinc/55/60/23/626556023.db2.gz FFJAZUIZVLJLNX-ZDUSSCGKSA-N 1 1 281.363 2.539 20 30 CFEDMO C[C@H](C=NN1CC[NH+](C)CC1)CC1CCCCC1 ZINC000758069295 626575643 /nfs/dbraw/zinc/57/56/43/626575643.db2.gz KZFLVRLAUWFUDA-AWEZNQCLSA-N 1 1 251.418 2.826 20 30 CFEDMO CC(C)[C@H]1CCC(=NN2CC[NH+](C)CC2)C[C@@H]1C ZINC000758091602 626576147 /nfs/dbraw/zinc/57/61/47/626576147.db2.gz VWHRFTYKXQDEPO-DZGCQCFKSA-N 1 1 251.418 2.682 20 30 CFEDMO C[N@H+]1CCCC(N=Nc2ccnc3ccccc23)CC1 ZINC000758119794 626577534 /nfs/dbraw/zinc/57/75/34/626577534.db2.gz GHHXQRMYOCVNEZ-UHFFFAOYSA-N 1 1 268.364 2.540 20 30 CFEDMO Cc1ccn(C[N@@H+]2CCC[C@@H]2c2cccs2)c(=O)c1C#N ZINC000758179699 626580495 /nfs/dbraw/zinc/58/04/95/626580495.db2.gz WUFOEQWQBSFHIN-CQSZACIVSA-N 1 1 299.399 2.885 20 30 CFEDMO Cc1ccn(C[N@H+]2CCC[C@@H]2c2cccs2)c(=O)c1C#N ZINC000758179699 626580498 /nfs/dbraw/zinc/58/04/98/626580498.db2.gz WUFOEQWQBSFHIN-CQSZACIVSA-N 1 1 299.399 2.885 20 30 CFEDMO C[N@H+](CCCCc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758191131 626581070 /nfs/dbraw/zinc/58/10/70/626581070.db2.gz MZQYFZOEOKNBON-UHFFFAOYSA-N 1 1 295.386 2.632 20 30 CFEDMO C[N@@H+](CCCCc1ccccc1)Cn1cccc(C#N)c1=O ZINC000758191131 626581071 /nfs/dbraw/zinc/58/10/71/626581071.db2.gz MZQYFZOEOKNBON-UHFFFAOYSA-N 1 1 295.386 2.632 20 30 CFEDMO Cc1cccc([C@@H]2CCC[N@@H+]2Cn2cccc(C#N)c2=O)c1 ZINC000758197241 626581856 /nfs/dbraw/zinc/58/18/56/626581856.db2.gz GYOQVFASVVUEKD-KRWDZBQOSA-N 1 1 293.370 2.823 20 30 CFEDMO Cc1cccc([C@@H]2CCC[N@H+]2Cn2cccc(C#N)c2=O)c1 ZINC000758197241 626581858 /nfs/dbraw/zinc/58/18/58/626581858.db2.gz GYOQVFASVVUEKD-KRWDZBQOSA-N 1 1 293.370 2.823 20 30 CFEDMO CC[C@H](c1ccncc1)[N@H+](CC)Cn1cccc(C#N)c1=O ZINC000758222903 626583308 /nfs/dbraw/zinc/58/33/08/626583308.db2.gz IECIIIUWJXEDFE-MRXNPFEDSA-N 1 1 296.374 2.546 20 30 CFEDMO CC[C@H](c1ccncc1)[N@@H+](CC)Cn1cccc(C#N)c1=O ZINC000758222903 626583309 /nfs/dbraw/zinc/58/33/09/626583309.db2.gz IECIIIUWJXEDFE-MRXNPFEDSA-N 1 1 296.374 2.546 20 30 CFEDMO CC[C@H](C)[C@H]1CCCC[N@H+]1Cn1ccc(C)c(C#N)c1=O ZINC000758224310 626583852 /nfs/dbraw/zinc/58/38/52/626583852.db2.gz TVLBVAAMXNBFJF-XJKSGUPXSA-N 1 1 287.407 2.887 20 30 CFEDMO Fc1cccc(CN[NH+]=Cc2ccc(N3CCCC3)nc2)c1 ZINC000758372078 626590148 /nfs/dbraw/zinc/59/01/48/626590148.db2.gz GYDBTFRRNXJNOZ-UHFFFAOYSA-N 1 1 298.365 2.945 20 30 CFEDMO C#CCCCC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000758911869 626617182 /nfs/dbraw/zinc/61/71/82/626617182.db2.gz WUXBLDCRPUIZNA-DLBZAZTESA-N 1 1 298.430 2.911 20 30 CFEDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(F)c(C#N)c1 ZINC000758952137 626620060 /nfs/dbraw/zinc/62/00/60/626620060.db2.gz SOPUQSFKOOQOJC-HNNXBMFYSA-N 1 1 290.338 2.615 20 30 CFEDMO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(F)c(C#N)c1 ZINC000758952137 626620066 /nfs/dbraw/zinc/62/00/66/626620066.db2.gz SOPUQSFKOOQOJC-HNNXBMFYSA-N 1 1 290.338 2.615 20 30 CFEDMO CCCCCCCCCC[N@@H+](C)[C@@H]1CCNC1=O ZINC000759437252 626658857 /nfs/dbraw/zinc/65/88/57/626658857.db2.gz NEBPLQFLUYMMJT-CQSZACIVSA-N 1 1 254.418 2.947 20 30 CFEDMO C#CCOCC[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000851769974 634517694 /nfs/dbraw/zinc/51/76/94/634517694.db2.gz NOYKMAWLWBGPTD-AWEZNQCLSA-N 1 1 263.768 2.779 20 30 CFEDMO CC(C)c1ccc(CC=NN2CC[NH+](C)CC2)cc1 ZINC000760244060 626723442 /nfs/dbraw/zinc/72/34/42/626723442.db2.gz RBYAOOYBEDKQGG-UHFFFAOYSA-N 1 1 259.397 2.586 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+](C)CC(=O)Nc1ccccc1Cl ZINC000760804999 626773704 /nfs/dbraw/zinc/77/37/04/626773704.db2.gz BHLKODRPTZBLHS-GFCCVEGCSA-N 1 1 296.798 2.537 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+](C)CC(=O)Nc1ccccc1Cl ZINC000760804999 626773705 /nfs/dbraw/zinc/77/37/05/626773705.db2.gz BHLKODRPTZBLHS-GFCCVEGCSA-N 1 1 296.798 2.537 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000760845076 626776918 /nfs/dbraw/zinc/77/69/18/626776918.db2.gz XVNDUAKBFPNMDY-KGLIPLIRSA-N 1 1 280.412 2.635 20 30 CFEDMO C#CCOCC[N@@H+]1CCSC[C@@H]1c1ccc(C)cc1 ZINC000851775847 634523048 /nfs/dbraw/zinc/52/30/48/634523048.db2.gz XRKNOXYOALZSEW-MRXNPFEDSA-N 1 1 275.417 2.735 20 30 CFEDMO Cc1nn(C)c(C)c1C[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000851779281 634524235 /nfs/dbraw/zinc/52/42/35/634524235.db2.gz ODZMROOSZVNYKS-UHFFFAOYSA-N 1 1 282.391 2.583 20 30 CFEDMO Cc1ccc(NC(=S)NN=C2C[C@H](C)[N@@H+](C)C2)c(C)c1 ZINC000761794044 626859370 /nfs/dbraw/zinc/85/93/70/626859370.db2.gz RKRMIYLJNXYGCT-LBPRGKRZSA-N 1 1 290.436 2.670 20 30 CFEDMO Cc1ccc(NC(=S)NN=C2C[C@H](C)[N@H+](C)C2)c(C)c1 ZINC000761794044 626859371 /nfs/dbraw/zinc/85/93/71/626859371.db2.gz RKRMIYLJNXYGCT-LBPRGKRZSA-N 1 1 290.436 2.670 20 30 CFEDMO C[C@@H]1CC(=NNCc2ccc(Br)cc2)C[N@@H+]1C ZINC000761811014 626860332 /nfs/dbraw/zinc/86/03/32/626860332.db2.gz DVTHNTAVTFSBNG-SNVBAGLBSA-N 1 1 296.212 2.619 20 30 CFEDMO C[C@@H]1CC(=NNCc2ccc(Br)cc2)C[N@H+]1C ZINC000761811014 626860336 /nfs/dbraw/zinc/86/03/36/626860336.db2.gz DVTHNTAVTFSBNG-SNVBAGLBSA-N 1 1 296.212 2.619 20 30 CFEDMO C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2Cl)C[N@H+]1C ZINC000761811291 626860576 /nfs/dbraw/zinc/86/05/76/626860576.db2.gz YNRMZVVJWSSGOU-QMMMGPOBSA-N 1 1 282.731 2.740 20 30 CFEDMO C#CCOCC[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000851789399 634529672 /nfs/dbraw/zinc/52/96/72/634529672.db2.gz IVYPQBVQIMISES-OAHLLOKOSA-N 1 1 275.417 2.750 20 30 CFEDMO C#CCOCC[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000851786848 634530619 /nfs/dbraw/zinc/53/06/19/634530619.db2.gz GBMZLTVKYVZSHW-XJKSGUPXSA-N 1 1 261.340 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CSXITKIBXNLJBK-WZGPROSRSA-N 1 1 298.430 2.592 20 30 CFEDMO C#C[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCCO1 ZINC000775572767 628040306 /nfs/dbraw/zinc/04/03/06/628040306.db2.gz CSXITKIBXNLJBK-WZGPROSRSA-N 1 1 298.430 2.592 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1cc(OC)ccc1OC)[C@H]1CCCO1 ZINC000775574808 628042564 /nfs/dbraw/zinc/04/25/64/628042564.db2.gz RYYLAKNGXOKGSL-ISTRZQFTSA-N 1 1 289.375 2.535 20 30 CFEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000775609727 628046173 /nfs/dbraw/zinc/04/61/73/628046173.db2.gz UKFHSUFHJOIZLT-OAHLLOKOSA-N 1 1 258.365 2.708 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000775621502 628046717 /nfs/dbraw/zinc/04/67/17/628046717.db2.gz ZUFDBEQTYDOKEQ-AWEZNQCLSA-N 1 1 273.380 2.698 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000775790628 628067961 /nfs/dbraw/zinc/06/79/61/628067961.db2.gz QUHVVRQGRQAXGY-TZMCWYRMSA-N 1 1 294.738 2.519 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccccc1OC(F)F)[C@H]1CCCO1 ZINC000775789195 628068423 /nfs/dbraw/zinc/06/84/23/628068423.db2.gz KZHCGHXGRFLPSD-GXTWGEPZSA-N 1 1 281.302 2.558 20 30 CFEDMO C#CCCC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000775892719 628081185 /nfs/dbraw/zinc/08/11/85/628081185.db2.gz VHTXYRMSJOSWKU-KRWDZBQOSA-N 1 1 255.361 2.921 20 30 CFEDMO CC[C@@H](C[N@@H+](CC)CC(=O)NCCC#N)c1ccccc1 ZINC000775896808 628081316 /nfs/dbraw/zinc/08/13/16/628081316.db2.gz UQCQSBKHOZYAGW-HNNXBMFYSA-N 1 1 287.407 2.532 20 30 CFEDMO C[C@H](NC[C@H](C1CC1)[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000776159338 628108024 /nfs/dbraw/zinc/10/80/24/628108024.db2.gz VLFCRPWPJPUHBS-SUMWQHHRSA-N 1 1 287.407 2.580 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1cccnn1 ZINC000776186943 628113875 /nfs/dbraw/zinc/11/38/75/628113875.db2.gz ZSENAROZRRKCTE-CQSZACIVSA-N 1 1 295.390 2.787 20 30 CFEDMO C[C@H](C(=O)OCCC(C)(C)C#N)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000776385925 628140862 /nfs/dbraw/zinc/14/08/62/628140862.db2.gz IYCRVOYKQDAYJD-FRRDWIJNSA-N 1 1 266.385 2.731 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CCCCCC1 ZINC000776495718 628154270 /nfs/dbraw/zinc/15/42/70/628154270.db2.gz ZVMBOQQFNQNIRG-HNNXBMFYSA-N 1 1 276.424 2.561 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CCCCCC1 ZINC000776495718 628154273 /nfs/dbraw/zinc/15/42/73/628154273.db2.gz ZVMBOQQFNQNIRG-HNNXBMFYSA-N 1 1 276.424 2.561 20 30 CFEDMO C#CCCN1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000776593356 628163034 /nfs/dbraw/zinc/16/30/34/628163034.db2.gz IQJXLKDFPIKTPD-SFHVURJKSA-N 1 1 286.394 2.844 20 30 CFEDMO C#CCCN1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000776594774 628163330 /nfs/dbraw/zinc/16/33/30/628163330.db2.gz TXLCGGUVIREMFE-UHFFFAOYSA-N 1 1 292.423 2.559 20 30 CFEDMO C=C(C)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776606996 628164795 /nfs/dbraw/zinc/16/47/95/628164795.db2.gz QJGCDIKEVKYNQJ-CHWSQXEVSA-N 1 1 268.401 2.892 20 30 CFEDMO C#CC[N@H+](CC[C@H]1COC(C)(C)O1)Cc1ccccc1 ZINC000852044976 634634548 /nfs/dbraw/zinc/63/45/48/634634548.db2.gz JGFQBVAVRPSMLS-INIZCTEOSA-N 1 1 273.376 2.663 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000776798158 628178721 /nfs/dbraw/zinc/17/87/21/628178721.db2.gz HANUESMAAPCOSN-OAHLLOKOSA-N 1 1 266.348 2.927 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000776798158 628178731 /nfs/dbraw/zinc/17/87/31/628178731.db2.gz HANUESMAAPCOSN-OAHLLOKOSA-N 1 1 266.348 2.927 20 30 CFEDMO Cc1[nH+]c(C=NOCCC(F)(F)F)c2ccccn12 ZINC000777461448 628228160 /nfs/dbraw/zinc/22/81/60/628228160.db2.gz XTWSOYASPASWJQ-UHFFFAOYSA-N 1 1 271.242 2.946 20 30 CFEDMO C[C@@H]1CC(N=Nc2cc(Cl)ccn2)CC[N@H+]1C ZINC000777905406 628263833 /nfs/dbraw/zinc/26/38/33/628263833.db2.gz GEEFJYDYCKWUGD-SECBINFHSA-N 1 1 252.749 2.617 20 30 CFEDMO CC(C)[N@@H+]1CC(N=Nc2cc(Cl)ccn2)[C@H](C)C1 ZINC000777905925 628263964 /nfs/dbraw/zinc/26/39/64/628263964.db2.gz CFYZNZSZNXLIHM-SNVBAGLBSA-N 1 1 266.776 2.863 20 30 CFEDMO C[C@@H]1CC(N=Nc2cc(Cl)ccn2)C[N@H+]1C1CC1 ZINC000777906233 628264059 /nfs/dbraw/zinc/26/40/59/628264059.db2.gz GXTCUXMJORVGBB-SECBINFHSA-N 1 1 264.760 2.760 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)c(Br)c1 ZINC000778222470 628289463 /nfs/dbraw/zinc/28/94/63/628289463.db2.gz UYRMHGGTUIOECC-GXFFZTMASA-N 1 1 277.165 2.915 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@H]3C[C@H]32)c(Br)c1 ZINC000778222470 628289466 /nfs/dbraw/zinc/28/94/66/628289466.db2.gz UYRMHGGTUIOECC-GXFFZTMASA-N 1 1 277.165 2.915 20 30 CFEDMO C[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C[C@H]1F ZINC000778231909 628290009 /nfs/dbraw/zinc/29/00/09/628290009.db2.gz DGZBYKGMUQBQIY-SWLSCSKDSA-N 1 1 262.328 2.769 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H]1F ZINC000778231909 628290012 /nfs/dbraw/zinc/29/00/12/628290012.db2.gz DGZBYKGMUQBQIY-SWLSCSKDSA-N 1 1 262.328 2.769 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@@H](C(=O)NCC(F)(F)F)C1 ZINC000778232010 628290503 /nfs/dbraw/zinc/29/05/03/628290503.db2.gz GYNYPHLUSUAEIO-GFCCVEGCSA-N 1 1 294.361 2.957 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000778232018 628290889 /nfs/dbraw/zinc/29/08/89/628290889.db2.gz GYNYPHLUSUAEIO-LBPRGKRZSA-N 1 1 294.361 2.957 20 30 CFEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)cc1 ZINC000778244639 628291890 /nfs/dbraw/zinc/29/18/90/628291890.db2.gz CBWHYWARDLSIKR-GOSISDBHSA-N 1 1 298.386 2.769 20 30 CFEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCC[C@]23CCOC3=O)cc1 ZINC000778244639 628291892 /nfs/dbraw/zinc/29/18/92/628291892.db2.gz CBWHYWARDLSIKR-GOSISDBHSA-N 1 1 298.386 2.769 20 30 CFEDMO CC(C)[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)CCO1 ZINC000778243061 628292066 /nfs/dbraw/zinc/29/20/66/628292066.db2.gz RBJCYGCOHXCBRJ-KRWDZBQOSA-N 1 1 288.391 2.684 20 30 CFEDMO CC(C)(C(=O)OCc1ccc(C#N)cc1F)[NH+]1CCCC1 ZINC000805610436 628313802 /nfs/dbraw/zinc/31/38/02/628313802.db2.gz DJYJLYLUKUATPX-UHFFFAOYSA-N 1 1 290.338 2.615 20 30 CFEDMO CCCCCC[N@H+](C)CC(=O)OCC1(C#N)CCC1 ZINC000778727428 628327787 /nfs/dbraw/zinc/32/77/87/628327787.db2.gz ZIEODVLEHDQDDS-UHFFFAOYSA-N 1 1 266.385 2.736 20 30 CFEDMO CCCCCC[N@@H+](C)CC(=O)OCC1(C#N)CCC1 ZINC000778727428 628327789 /nfs/dbraw/zinc/32/77/89/628327789.db2.gz ZIEODVLEHDQDDS-UHFFFAOYSA-N 1 1 266.385 2.736 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000779148696 628355618 /nfs/dbraw/zinc/35/56/18/628355618.db2.gz JBFMFIJYZHLJTA-ZFWWWQNUSA-N 1 1 261.340 2.879 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000779148696 628355621 /nfs/dbraw/zinc/35/56/21/628355621.db2.gz JBFMFIJYZHLJTA-ZFWWWQNUSA-N 1 1 261.340 2.879 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000779149521 628355830 /nfs/dbraw/zinc/35/58/30/628355830.db2.gz FINBKCUGAGFNKA-KRWDZBQOSA-N 1 1 273.376 2.555 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCO[C@H](C(C)C)C1 ZINC000779149521 628355832 /nfs/dbraw/zinc/35/58/32/628355832.db2.gz FINBKCUGAGFNKA-KRWDZBQOSA-N 1 1 273.376 2.555 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000779166228 628358046 /nfs/dbraw/zinc/35/80/46/628358046.db2.gz VZABQVOUXZTCBG-QWHCGFSZSA-N 1 1 293.794 2.555 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@]23CCOC3=O)cc1 ZINC000779198571 628359575 /nfs/dbraw/zinc/35/95/75/628359575.db2.gz JHRUFVLGJMHFLK-QGZVFWFLSA-N 1 1 287.359 2.533 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CCC[C@]23CCOC3=O)cc1 ZINC000779198571 628359577 /nfs/dbraw/zinc/35/95/77/628359577.db2.gz JHRUFVLGJMHFLK-QGZVFWFLSA-N 1 1 287.359 2.533 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000779199521 628359800 /nfs/dbraw/zinc/35/98/00/628359800.db2.gz CZJRLQXGPDNZQU-DOMZBBRYSA-N 1 1 293.794 2.555 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000779199521 628359803 /nfs/dbraw/zinc/35/98/03/628359803.db2.gz CZJRLQXGPDNZQU-DOMZBBRYSA-N 1 1 293.794 2.555 20 30 CFEDMO C[C@H]1C[NH+]=C(NN=C2CCc3cc(Cl)cc(Cl)c32)N1 ZINC000779792069 628406541 /nfs/dbraw/zinc/40/65/41/628406541.db2.gz ISDHHLQYQQHGRI-ZETCQYMHSA-N 1 1 297.189 2.581 20 30 CFEDMO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cc2cc(C)c(C)cc2o1 ZINC000779794491 628407262 /nfs/dbraw/zinc/40/72/62/628407262.db2.gz JDYBKLPXLCKOAB-LLVKDONJSA-N 1 1 284.363 2.711 20 30 CFEDMO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cccc(Cl)c1Cl ZINC000779797303 628407614 /nfs/dbraw/zinc/40/76/14/628407614.db2.gz DZRZJHHJSXHNJX-SSDOTTSWSA-N 1 1 285.178 2.655 20 30 CFEDMO C[C@@H]1C[NH+]=C(NN=Cc2cc(-c3ccccc3)cs2)N1 ZINC000779801822 628407660 /nfs/dbraw/zinc/40/76/60/628407660.db2.gz YJDYOJLUAUWCFG-LLVKDONJSA-N 1 1 284.388 2.686 20 30 CFEDMO Fc1cccc2c1SCCC2=NNc1cc[nH+]cc1 ZINC000779806627 628407946 /nfs/dbraw/zinc/40/79/46/628407946.db2.gz DHQDKTCENBSYCH-UHFFFAOYSA-N 1 1 273.336 2.955 20 30 CFEDMO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(Cl)cc1Cl ZINC000779803817 628408212 /nfs/dbraw/zinc/40/82/12/628408212.db2.gz XCPOKIQXMJTFSB-SSDOTTSWSA-N 1 1 285.178 2.655 20 30 CFEDMO COc1ccc2oc(C=NNc3cc[nH+]cc3)cc2c1 ZINC000779809054 628408654 /nfs/dbraw/zinc/40/86/54/628408654.db2.gz DJFFIAFVWOVTLM-UHFFFAOYSA-N 1 1 267.288 2.704 20 30 CFEDMO Fc1cccc(N2CCCC2)c1C=[NH+][N-]c1cc[nH+]cc1 ZINC000779808478 628408801 /nfs/dbraw/zinc/40/88/01/628408801.db2.gz ALUSKPCBDSQOOZ-UHFFFAOYSA-N 1 1 284.338 2.689 20 30 CFEDMO c1ccc2c(c1)CCSCC2=NNc1cc[nH+]cc1 ZINC000779810201 628409387 /nfs/dbraw/zinc/40/93/87/628409387.db2.gz ZFOLCWITFZSWTG-UHFFFAOYSA-N 1 1 269.373 2.609 20 30 CFEDMO FC(F)(F)COc1cccc(C=NNc2cc[nH+]cc2)c1 ZINC000779811296 628409792 /nfs/dbraw/zinc/40/97/92/628409792.db2.gz OVTCMQXDYDEPOM-UHFFFAOYSA-N 1 1 295.264 2.891 20 30 CFEDMO CC1(C#N)CC[NH+](Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000779880373 628415797 /nfs/dbraw/zinc/41/57/97/628415797.db2.gz ZNTNPNTVNSJIHV-UHFFFAOYSA-N 1 1 290.317 2.898 20 30 CFEDMO C[NH+]1CCN(N=C2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000780186445 628437435 /nfs/dbraw/zinc/43/74/35/628437435.db2.gz IUFAUOWNRJKQJK-KRWDZBQOSA-N 1 1 271.408 2.732 20 30 CFEDMO C#CCCCCCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000780321966 628454823 /nfs/dbraw/zinc/45/48/23/628454823.db2.gz MKUDNCBWEIMTQM-INIZCTEOSA-N 1 1 278.440 2.951 20 30 CFEDMO C#CCCC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000852109642 634660774 /nfs/dbraw/zinc/66/07/74/634660774.db2.gz DSYGJCBZGWOAKH-UHFFFAOYSA-N 1 1 278.346 2.890 20 30 CFEDMO CON=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000781124047 628523501 /nfs/dbraw/zinc/52/35/01/628523501.db2.gz TZWBJQPUJIBVOM-HUUCEWRRSA-N 1 1 258.365 2.921 20 30 CFEDMO NC(=[NH+]OCC1CCCCC1)c1ccc2c(c1)CCO2 ZINC000781619438 628567220 /nfs/dbraw/zinc/56/72/20/628567220.db2.gz FUBJRXHBLRVTEI-UHFFFAOYSA-N 1 1 274.364 2.839 20 30 CFEDMO CCCCCC[N@@H+](C)CC(=O)N1CCC(CC#N)CC1 ZINC000782054158 628600231 /nfs/dbraw/zinc/60/02/31/628600231.db2.gz FDRXLVUGIFMFIW-UHFFFAOYSA-N 1 1 279.428 2.651 20 30 CFEDMO CCCCCCCCCC[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000782096787 628604235 /nfs/dbraw/zinc/60/42/35/628604235.db2.gz GINRVXZUYBEBEF-HNNXBMFYSA-N 1 1 284.444 2.574 20 30 CFEDMO C[NH+]1CCN(N=CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000782098468 628604342 /nfs/dbraw/zinc/60/43/42/628604342.db2.gz TUMMVOWEGHMHMK-UHFFFAOYSA-N 1 1 273.424 2.760 20 30 CFEDMO N#CCOc1cc(F)ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000782159374 628608698 /nfs/dbraw/zinc/60/86/98/628608698.db2.gz CCPYACLTRXMYDV-UONOGXRCSA-N 1 1 289.354 2.767 20 30 CFEDMO C=CCN(CC1(C[N@H+](CC=C)C(C)C)COC1)C(C)C ZINC000782456238 628639378 /nfs/dbraw/zinc/63/93/78/628639378.db2.gz WZLUYWLMXHRMSH-UHFFFAOYSA-N 1 1 280.456 2.796 20 30 CFEDMO C=CCN(CC1(C[N@@H+](CC=C)C(C)C)COC1)C(C)C ZINC000782456238 628639382 /nfs/dbraw/zinc/63/93/82/628639382.db2.gz WZLUYWLMXHRMSH-UHFFFAOYSA-N 1 1 280.456 2.796 20 30 CFEDMO CC#CCC[N@@H+]1C[C@H]2CCC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000782561080 628645162 /nfs/dbraw/zinc/64/51/62/628645162.db2.gz MKSPBPRUXDNVHR-GASCZTMLSA-N 1 1 292.423 2.874 20 30 CFEDMO C[C@@H]1C[N@@H+](CCCOc2ccc(C#N)cc2)[C@H](C)[C@H](C)O1 ZINC000782626234 628650384 /nfs/dbraw/zinc/65/03/84/628650384.db2.gz ZPGLVTJMYXUHJX-KFWWJZLASA-N 1 1 288.391 2.825 20 30 CFEDMO CC(=[NH+][N-]c1cc[nH+]cc1)c1ccc(N)cc1Cl ZINC000782907864 628663201 /nfs/dbraw/zinc/66/32/01/628663201.db2.gz LFRIKFJOXISIAV-UHFFFAOYSA-N 1 1 260.728 2.575 20 30 CFEDMO CO[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC000783015372 628669252 /nfs/dbraw/zinc/66/92/52/628669252.db2.gz RWFJWNWQBADUFC-HNNXBMFYSA-N 1 1 274.364 2.590 20 30 CFEDMO CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783294422 628698382 /nfs/dbraw/zinc/69/83/82/628698382.db2.gz QEKHBVZGCYYHHY-GFCCVEGCSA-N 1 1 266.348 2.761 20 30 CFEDMO CCC[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccn1 ZINC000783294660 628698499 /nfs/dbraw/zinc/69/84/99/628698499.db2.gz RKEKLPYKQZLNFO-OAHLLOKOSA-N 1 1 266.348 2.979 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)O[C@@H](C)[C@@H]2C)cc1 ZINC000783738937 628740641 /nfs/dbraw/zinc/74/06/41/628740641.db2.gz ZKTQYRQFPYNMFV-QPSCCSFWSA-N 1 1 288.391 2.975 20 30 CFEDMO Cc1c(Cl)cnc(NCC[N@@H+]2CCC[C@@H]2C)c1C#N ZINC000784159486 628786089 /nfs/dbraw/zinc/78/60/89/628786089.db2.gz AJKPPSJJNRFAGW-JTQLQIEISA-N 1 1 278.787 2.811 20 30 CFEDMO Cc1ccccc1[C@@H](O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000784451683 628817670 /nfs/dbraw/zinc/81/76/70/628817670.db2.gz WPOUTUDNGQUTEB-JKSUJKDBSA-N 1 1 258.365 2.654 20 30 CFEDMO Cc1ccccc1[C@@H](O)C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000784451683 628817673 /nfs/dbraw/zinc/81/76/73/628817673.db2.gz WPOUTUDNGQUTEB-JKSUJKDBSA-N 1 1 258.365 2.654 20 30 CFEDMO C=CCCC[N@@H+]1CCCC[C@@H]1COC(=O)N(C)CC ZINC000805761609 628819880 /nfs/dbraw/zinc/81/98/80/628819880.db2.gz BZMMDKRAMJUDJT-CQSZACIVSA-N 1 1 268.401 2.895 20 30 CFEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1COC(=O)N(C)CC ZINC000805763901 628830116 /nfs/dbraw/zinc/83/01/16/628830116.db2.gz YZMCKLKSOQXKAU-CQSZACIVSA-N 1 1 268.401 2.895 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805764061 628830180 /nfs/dbraw/zinc/83/01/80/628830180.db2.gz UXMSRSQWSQTTKB-CYBMUJFWSA-N 1 1 268.401 2.942 20 30 CFEDMO C#CC[C@@H]1CCCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000852206234 634688281 /nfs/dbraw/zinc/68/82/81/634688281.db2.gz FITVZHFNVPZNJB-IXDOHACOSA-N 1 1 262.441 2.700 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](CCN2C[C@H](C)C[C@H](C)C2)C1 ZINC000852206234 634688285 /nfs/dbraw/zinc/68/82/85/634688285.db2.gz FITVZHFNVPZNJB-IXDOHACOSA-N 1 1 262.441 2.700 20 30 CFEDMO 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ZINC000848907629 633393515 /nfs/dbraw/zinc/39/35/15/633393515.db2.gz QFZTUCIEEVOTFJ-UHFFFAOYSA-N 1 1 297.402 2.806 20 30 CFEDMO C#CCn1ccc(C[N@H+](CC)Cc2cccc(CC)c2O)n1 ZINC000848907629 633393522 /nfs/dbraw/zinc/39/35/22/633393522.db2.gz QFZTUCIEEVOTFJ-UHFFFAOYSA-N 1 1 297.402 2.806 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(/C=C/C(=O)OC)o2)C1 ZINC000848919160 633402123 /nfs/dbraw/zinc/40/21/23/633402123.db2.gz GICZNSJDTJMSCX-HBWSCVEGSA-N 1 1 287.359 2.701 20 30 CFEDMO C#CCOc1ccc(C[NH+]2CC3(CC3(F)F)C2)cc1 ZINC000848921945 633403776 /nfs/dbraw/zinc/40/37/76/633403776.db2.gz KGQOWPVFDKLACK-UHFFFAOYSA-N 1 1 263.287 2.540 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000848924054 633405972 /nfs/dbraw/zinc/40/59/72/633405972.db2.gz MPMFALFAMKOJNC-SNVBAGLBSA-N 1 1 253.267 2.949 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)c(F)c2)C1 ZINC000848924054 633405974 /nfs/dbraw/zinc/40/59/74/633405974.db2.gz MPMFALFAMKOJNC-SNVBAGLBSA-N 1 1 253.267 2.949 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000848923559 633406883 /nfs/dbraw/zinc/40/68/83/633406883.db2.gz GNMRBBQTZMTGEI-ZDUSSCGKSA-N 1 1 285.416 2.994 20 30 CFEDMO COc1cccc(O)c1/C=N/C[C@H]1CC[N@H+]1C(C)(C)C ZINC000849171394 633578805 /nfs/dbraw/zinc/57/88/05/633578805.db2.gz VJONNDGCUGWSGQ-PBSOMRJOSA-N 1 1 276.380 2.693 20 30 CFEDMO CCCCCCCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000858114175 636130914 /nfs/dbraw/zinc/13/09/14/636130914.db2.gz ZGDOULMMUOZYAI-HNNXBMFYSA-N 1 1 283.460 2.988 20 30 CFEDMO C=C(Br)C[NH2+]Cc1c(C2CCC2)cnn1C ZINC000850119415 633848138 /nfs/dbraw/zinc/84/81/38/633848138.db2.gz OXRYDLHPISSAEH-UHFFFAOYSA-N 1 1 284.201 2.686 20 30 CFEDMO C#CCOc1ccccc1CNC[C@H]1CC[N@H+]1C(C)(C)C ZINC000850343299 633946612 /nfs/dbraw/zinc/94/66/12/633946612.db2.gz MIYOVEIIJQQQMX-MRXNPFEDSA-N 1 1 286.419 2.661 20 30 CFEDMO C#CCOc1ccccc1CNC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000850343299 633946615 /nfs/dbraw/zinc/94/66/15/633946615.db2.gz MIYOVEIIJQQQMX-MRXNPFEDSA-N 1 1 286.419 2.661 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(N(C)CCC#N)cc1)c1nccn1C ZINC000850410605 633982142 /nfs/dbraw/zinc/98/21/42/633982142.db2.gz QTZJCKUXLDOJAD-AWEZNQCLSA-N 1 1 297.406 2.621 20 30 CFEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ncnc32)cc1 ZINC000850499713 634019622 /nfs/dbraw/zinc/01/96/22/634019622.db2.gz VVIOHJCDVQGZNX-DVOMOZLQSA-N 1 1 296.374 2.647 20 30 CFEDMO C=C[C@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000850573362 634058427 /nfs/dbraw/zinc/05/84/27/634058427.db2.gz YNJQJQOVUCOONJ-RKDXNWHRSA-N 1 1 275.270 2.609 20 30 CFEDMO C#Cc1cccnc1NCCC[N@H+](C)Cc1ccccc1 ZINC000853095208 634902747 /nfs/dbraw/zinc/90/27/47/634902747.db2.gz JLKLDEUTUXSQDG-UHFFFAOYSA-N 1 1 279.387 2.997 20 30 CFEDMO C#Cc1cccnc1NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000853164411 634923768 /nfs/dbraw/zinc/92/37/68/634923768.db2.gz DDOUJKGEWVKTIK-HNNXBMFYSA-N 1 1 271.408 2.987 20 30 CFEDMO C#CCCCOc1cccnc1NC[C@@H]1CCC[N@H+](C)C1 ZINC000853301186 634962644 /nfs/dbraw/zinc/96/26/44/634962644.db2.gz UCQHHQHCKNUAOY-HNNXBMFYSA-N 1 1 287.407 2.628 20 30 CFEDMO C#CCCCOc1cccnc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000853376496 634986110 /nfs/dbraw/zinc/98/61/10/634986110.db2.gz ROGLFDUUGPWXIO-LSDHHAIUSA-N 1 1 287.407 2.768 20 30 CFEDMO C[C@H]1C[N@H+](C2CC2)CC1N=Nc1ccnc(Cl)c1 ZINC000853395293 634992331 /nfs/dbraw/zinc/99/23/31/634992331.db2.gz RWHPIXDGRODEFE-VIFPVBQESA-N 1 1 264.760 2.617 20 30 CFEDMO C[N@H+]1CCCC(N=Nc2ccc(Cl)cn2)CC1 ZINC000853437232 634999278 /nfs/dbraw/zinc/99/92/78/634999278.db2.gz GWKZNFAFXZXCMH-UHFFFAOYSA-N 1 1 252.749 2.619 20 30 CFEDMO C#CCCCOc1cccnc1NCC1=CC[N@@H+](C)CC1 ZINC000853469662 635009072 /nfs/dbraw/zinc/00/90/72/635009072.db2.gz SUMINIZIZNBNAK-UHFFFAOYSA-N 1 1 285.391 2.548 20 30 CFEDMO C#Cc1cccnc1N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000853470131 635009191 /nfs/dbraw/zinc/00/91/91/635009191.db2.gz ZSMOQULMCLZULS-OAHLLOKOSA-N 1 1 279.387 2.995 20 30 CFEDMO C#Cc1cccnc1N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000853480600 635012675 /nfs/dbraw/zinc/01/26/75/635012675.db2.gz MTHADQBBQYIRKL-YJBOKZPZSA-N 1 1 291.398 2.995 20 30 CFEDMO COc1cc(O)c(C[N@H+]2CCC[C@H](CC#N)C2)cc1OC ZINC000853524741 635027166 /nfs/dbraw/zinc/02/71/66/635027166.db2.gz OZJHWHMSTCCCIE-GFCCVEGCSA-N 1 1 290.363 2.535 20 30 CFEDMO C#Cc1cccnc1N(C)CCCc1[nH+]ccn1CCC ZINC000853535117 635030616 /nfs/dbraw/zinc/03/06/16/635030616.db2.gz TUFFAQJWBULFMI-UHFFFAOYSA-N 1 1 282.391 2.738 20 30 CFEDMO C=CC[N@@H+](Cc1cc(OC)c(C)cc1O)[C@@H](C)COC ZINC000853535694 635030729 /nfs/dbraw/zinc/03/07/29/635030729.db2.gz ZPRKNQVARXEZDQ-ZDUSSCGKSA-N 1 1 279.380 2.732 20 30 CFEDMO C=CC[C@H]1CCC[N@@H+](CN2C[C@@H](c3ccccn3)CC2=O)C1 ZINC000853536855 635032182 /nfs/dbraw/zinc/03/21/82/635032182.db2.gz JOPFCJNWJIVGKD-HOTGVXAUSA-N 1 1 299.418 2.643 20 30 CFEDMO C=CC[C@H]1CCC[N@@H+](Cn2cnc(-c3ccccn3)n2)C1 ZINC000853536595 635032200 /nfs/dbraw/zinc/03/22/00/635032200.db2.gz FHUWWPOSCSWFRZ-AWEZNQCLSA-N 1 1 283.379 2.586 20 30 CFEDMO Cc1ccn(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c(=O)c1C#N ZINC000853552991 635034991 /nfs/dbraw/zinc/03/49/91/635034991.db2.gz ABLWXIXEFCJPHN-INIZCTEOSA-N 1 1 299.418 2.888 20 30 CFEDMO Cc1ccn(C[N@H+]2CC[C@H](C3CCCCC3)C2)c(=O)c1C#N ZINC000853552991 635034993 /nfs/dbraw/zinc/03/49/93/635034993.db2.gz ABLWXIXEFCJPHN-INIZCTEOSA-N 1 1 299.418 2.888 20 30 CFEDMO Cc1cc2ncn(C[N@@H+]3CC[C@@](C)(C#N)C3)c2cc1C ZINC000853598746 635045843 /nfs/dbraw/zinc/04/58/43/635045843.db2.gz FHXZOQJWRQUIPI-INIZCTEOSA-N 1 1 268.364 2.846 20 30 CFEDMO Cc1cc2ncn(C[N@H+]3CC[C@@](C)(C#N)C3)c2cc1C ZINC000853598746 635045845 /nfs/dbraw/zinc/04/58/45/635045845.db2.gz FHXZOQJWRQUIPI-INIZCTEOSA-N 1 1 268.364 2.846 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1C[C@@H](c2cccnc2)CC1=O ZINC000853598945 635046217 /nfs/dbraw/zinc/04/62/17/635046217.db2.gz ZCSARRYXLUIKJL-YESZJQIVSA-N 1 1 297.402 2.538 20 30 CFEDMO C=CC[C@@H]1CCCN(c2nc(N3CCCC3)cc[nH+]2)C1 ZINC000853801840 635111948 /nfs/dbraw/zinc/11/19/48/635111948.db2.gz KQYPMJZZQYTESK-CQSZACIVSA-N 1 1 272.396 2.869 20 30 CFEDMO C=CC[N@H+](CC1CCCCC1)Cn1nccc1[N+](=O)[O-] ZINC000112200280 635296471 /nfs/dbraw/zinc/29/64/71/635296471.db2.gz XUZVCLLOFKPTQI-UHFFFAOYSA-N 1 1 278.356 2.817 20 30 CFEDMO C=CC[N@@H+](CC1CCCCC1)Cn1nccc1[N+](=O)[O-] ZINC000112200280 635296477 /nfs/dbraw/zinc/29/64/77/635296477.db2.gz XUZVCLLOFKPTQI-UHFFFAOYSA-N 1 1 278.356 2.817 20 30 CFEDMO C=CC[N@@H+](CCS(=O)(=O)CCC)CC1CCCCC1 ZINC000112210707 635300879 /nfs/dbraw/zinc/30/08/79/635300879.db2.gz IZGKFQAVDZBWKE-UHFFFAOYSA-N 1 1 287.469 2.880 20 30 CFEDMO C=CC[N@H+](CCS(=O)(=O)CCC)CC1CCCCC1 ZINC000112210707 635300887 /nfs/dbraw/zinc/30/08/87/635300887.db2.gz IZGKFQAVDZBWKE-UHFFFAOYSA-N 1 1 287.469 2.880 20 30 CFEDMO C#CCCCCCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000855160988 635471816 /nfs/dbraw/zinc/47/18/16/635471816.db2.gz IKJPHUVDDPRWNF-HNNXBMFYSA-N 1 1 278.440 2.807 20 30 CFEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C)CC1=O ZINC000113240801 635511216 /nfs/dbraw/zinc/51/12/16/635511216.db2.gz QJGAJNOVOZGGBF-AWEZNQCLSA-N 1 1 285.391 2.596 20 30 CFEDMO CCC[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C)CC1=O ZINC000113240801 635511222 /nfs/dbraw/zinc/51/12/22/635511222.db2.gz QJGAJNOVOZGGBF-AWEZNQCLSA-N 1 1 285.391 2.596 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1cc(OC)ncc1Br ZINC000856744980 635845751 /nfs/dbraw/zinc/84/57/51/635845751.db2.gz LXFAFRBFKGHQKB-ZDUSSCGKSA-N 1 1 297.196 2.744 20 30 CFEDMO C#C[C@@H](NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1)C(C)C ZINC000857212766 635948125 /nfs/dbraw/zinc/94/81/25/635948125.db2.gz WOPKLRYEPAVQIE-ZWKOTPCHSA-N 1 1 298.430 2.883 20 30 CFEDMO Clc1cnc(N=NC2CCC[N@H+]3CCCC[C@H]23)nc1 ZINC000857220148 635949742 /nfs/dbraw/zinc/94/97/42/635949742.db2.gz COCKKYLQZHKBBC-GFCCVEGCSA-N 1 1 279.775 2.546 20 30 CFEDMO C#CCOc1ccccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857861169 636038073 /nfs/dbraw/zinc/03/80/73/636038073.db2.gz YNVFQBMWEQORLH-OAHLLOKOSA-N 1 1 281.359 2.589 20 30 CFEDMO C#CCOc1ccccc1C[NH2+][C@@H]1CCCc2c[nH]nc21 ZINC000857861169 636038077 /nfs/dbraw/zinc/03/80/77/636038077.db2.gz 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ZINC000859281068 636529592 /nfs/dbraw/zinc/52/95/92/636529592.db2.gz RDYNACZETANAPI-UHFFFAOYSA-N 1 1 282.746 2.761 20 30 CFEDMO C[N@@H+](CCC1CN(C(=O)OC(C)(C)C)C1)CC(C)(C)C#N ZINC000859316049 636540081 /nfs/dbraw/zinc/54/00/81/636540081.db2.gz VMYSMXJYOFSOAB-UHFFFAOYSA-N 1 1 295.427 2.725 20 30 CFEDMO C[N@H+](CCCCC#N)c1ccc(N2CCOCC2)cc1 ZINC000859381661 636554353 /nfs/dbraw/zinc/55/43/53/636554353.db2.gz CSVYNOVFBKCQAT-UHFFFAOYSA-N 1 1 273.380 2.653 20 30 CFEDMO C[N@@H+](CCCCC#N)c1ccc(N2CCOCC2)cc1 ZINC000859381661 636554358 /nfs/dbraw/zinc/55/43/58/636554358.db2.gz CSVYNOVFBKCQAT-UHFFFAOYSA-N 1 1 273.380 2.653 20 30 CFEDMO C=CC[C@H]1CC[N@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000859444221 636565237 /nfs/dbraw/zinc/56/52/37/636565237.db2.gz HDGJLECGRRRXGH-SMDDNHRTSA-N 1 1 267.319 2.896 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000859444744 636566116 /nfs/dbraw/zinc/56/61/16/636566116.db2.gz YTQWHLYPLOQSGT-ABAIWWIYSA-N 1 1 267.319 2.896 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000859446333 636566513 /nfs/dbraw/zinc/56/65/13/636566513.db2.gz XPQKTJZMOBNMGX-IUODEOHRSA-N 1 1 276.336 2.526 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000859444745 636566669 /nfs/dbraw/zinc/56/66/69/636566669.db2.gz YTQWHLYPLOQSGT-IAQYHMDHSA-N 1 1 267.319 2.896 20 30 CFEDMO C#CC[NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000859846968 636723288 /nfs/dbraw/zinc/72/32/88/636723288.db2.gz ODXVXFPOWVZOEW-ZDUSSCGKSA-N 1 1 271.191 2.819 20 30 CFEDMO COc1cccc2c1C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000859937739 636747763 /nfs/dbraw/zinc/74/77/63/636747763.db2.gz GOABSOFNCHCDBR-QGZVFWFLSA-N 1 1 294.354 2.616 20 30 CFEDMO COc1cccc2c1C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000859937739 636747768 /nfs/dbraw/zinc/74/77/68/636747768.db2.gz GOABSOFNCHCDBR-QGZVFWFLSA-N 1 1 294.354 2.616 20 30 CFEDMO C[C@H](C[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1)NC(=O)OC(C)(C)C ZINC000860097113 636784642 /nfs/dbraw/zinc/78/46/42/636784642.db2.gz QDTBCDMJLQUKFN-JHJVBQTASA-N 1 1 281.400 2.524 20 30 CFEDMO C[C@H](C[N@@H+](C)CCC(C)(C)C#N)NC(=O)OC(C)(C)C ZINC000860096747 636785151 /nfs/dbraw/zinc/78/51/51/636785151.db2.gz MZEVRRZXXYGYPE-GFCCVEGCSA-N 1 1 283.416 2.771 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000081518540 636789708 /nfs/dbraw/zinc/78/97/08/636789708.db2.gz QVJHJEPWZOWWQO-QWHCGFSZSA-N 1 1 268.401 2.798 20 30 CFEDMO CCC(C#N)(CC)C(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000860840409 636986936 /nfs/dbraw/zinc/98/69/36/636986936.db2.gz QTBYKZXWACYJNN-AWEZNQCLSA-N 1 1 280.412 2.980 20 30 CFEDMO N#CC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862237174 637294318 /nfs/dbraw/zinc/29/43/18/637294318.db2.gz WVPNQJDOJFORAO-UHFFFAOYSA-N 1 1 295.180 2.890 20 30 CFEDMO C=C(Br)C[NH2+]Cc1ccnc(F)c1C ZINC000862277335 637308013 /nfs/dbraw/zinc/30/80/13/637308013.db2.gz WLJKWZRKUZSUTP-UHFFFAOYSA-N 1 1 259.122 2.527 20 30 CFEDMO C=CC[N@H+](C)C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C 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C#CC[C@@H]1CC[N@H+](Cc2cc(OC)ccc2OCOC)C1 ZINC000862444619 637386166 /nfs/dbraw/zinc/38/61/66/637386166.db2.gz DGOULOXDGGWQDR-CQSZACIVSA-N 1 1 289.375 2.523 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000862447054 637387688 /nfs/dbraw/zinc/38/76/88/637387688.db2.gz HOFZLORTKHRUOV-GFCCVEGCSA-N 1 1 291.778 2.972 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862448555 637389453 /nfs/dbraw/zinc/38/94/53/637389453.db2.gz ZWPLJKZPQBVARQ-GFCCVEGCSA-N 1 1 278.346 2.876 20 30 CFEDMO C#CC[C@H](COC)NC1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000862548896 637421596 /nfs/dbraw/zinc/42/15/96/637421596.db2.gz PXTWSIGQMYWWKV-CGTJXYLNSA-N 1 1 292.467 2.657 20 30 CFEDMO C#CCC1(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CCCCC1 ZINC000862793036 637495716 /nfs/dbraw/zinc/49/57/16/637495716.db2.gz IFTCUYVYSMHIFU-MRXNPFEDSA-N 1 1 290.451 2.808 20 30 CFEDMO C#CCCCCC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000119096146 637499252 /nfs/dbraw/zinc/49/92/52/637499252.db2.gz CRGAMZBSMJEPEC-CVEARBPZSA-N 1 1 290.451 2.949 20 30 CFEDMO C[C@@H]1CC(=Nn2cccn2)C[N@H+](Cc2ccccc2)C1 ZINC000863164104 637576430 /nfs/dbraw/zinc/57/64/30/637576430.db2.gz AQFNMUYUDKITOF-CQSZACIVSA-N 1 1 268.364 2.629 20 30 CFEDMO COC(=O)CCC[C@@H]1CCCC(=[NH+]n2cccn2)C1 ZINC000863164075 637576902 /nfs/dbraw/zinc/57/69/02/637576902.db2.gz ZIVLVTSUIPYJKJ-LBPRGKRZSA-N 1 1 263.341 2.621 20 30 CFEDMO CC[N@H+]1CCC[C@@H]1Cn1c(C)cc(C=Nn2cccn2)c1C ZINC000863166056 637577509 /nfs/dbraw/zinc/57/75/09/637577509.db2.gz QUHZRAOCJUBRSM-QGZVFWFLSA-N 1 1 299.422 2.668 20 30 CFEDMO N#Cc1cc(O)ccc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC000863723464 637758711 /nfs/dbraw/zinc/75/87/11/637758711.db2.gz YXKWHGDVZTXDMJ-UHFFFAOYSA-N 1 1 294.354 2.763 20 30 CFEDMO C[C@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@H](C2CC2)O1 ZINC000930270655 637766270 /nfs/dbraw/zinc/76/62/70/637766270.db2.gz OWQRXUANJDKIDH-WLIAPVHPSA-N 1 1 262.397 2.816 20 30 CFEDMO C#C[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC000863917978 637811523 /nfs/dbraw/zinc/81/15/23/637811523.db2.gz DIXKVUGVEXKMET-OAHLLOKOSA-N 1 1 290.794 2.615 20 30 CFEDMO Oc1cccc(/C=N/C[C@@H]2CC[N@H+]2C2CCCCC2)c1O ZINC000864345064 637945696 /nfs/dbraw/zinc/94/56/96/637945696.db2.gz NKKHCTGXTJYEOU-LZNAANCOSA-N 1 1 288.391 2.924 20 30 CFEDMO Oc1ccccc1/C=N/C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000864345907 637946928 /nfs/dbraw/zinc/94/69/28/637946928.db2.gz JIAIFPMZYGXSRC-VUVCFOEZSA-N 1 1 258.365 2.828 20 30 CFEDMO CCCC(N)=[NH+]OCc1csc([C@H](C)OCC)n1 ZINC000076697349 650397615 /nfs/dbraw/zinc/39/76/15/650397615.db2.gz IMNZIFYOMCUQKN-VIFPVBQESA-N 1 1 271.386 2.830 20 30 CFEDMO Cc1cccc(NCc2cc(C#N)ccc2N(C)C)[nH+]1 ZINC000865289807 638258569 /nfs/dbraw/zinc/25/85/69/638258569.db2.gz FFKMPPITAFCWBX-UHFFFAOYSA-N 1 1 266.348 2.940 20 30 CFEDMO CCc1[nH+]c(C)cn1Cc1ccc(OCC#N)cc1 ZINC000865392432 638302403 /nfs/dbraw/zinc/30/24/03/638302403.db2.gz GNNMJQRFPYATCO-UHFFFAOYSA-N 1 1 255.321 2.705 20 30 CFEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C)no2)c1 ZINC000865464089 638352750 /nfs/dbraw/zinc/35/27/50/638352750.db2.gz SISGYXBVQCXELS-AWEZNQCLSA-N 1 1 285.347 2.954 20 30 CFEDMO N#Cc1cc(C(F)(F)F)cc(N[C@H]2CC[N@H+](C3CC3)C2)n1 ZINC000865465797 638353499 /nfs/dbraw/zinc/35/34/99/638353499.db2.gz KADHCULMYYDMNY-JTQLQIEISA-N 1 1 296.296 2.621 20 30 CFEDMO N#Cc1cc(C(F)(F)F)cc(N[C@@H]2CC[N@H+](C3CC3)C2)n1 ZINC000865465798 638353718 /nfs/dbraw/zinc/35/37/18/638353718.db2.gz KADHCULMYYDMNY-SNVBAGLBSA-N 1 1 296.296 2.621 20 30 CFEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccnn2CC2CCC2)c1 ZINC000865478056 638364914 /nfs/dbraw/zinc/36/49/14/638364914.db2.gz QOCAQZYYUDICQL-UHFFFAOYSA-N 1 1 298.365 2.984 20 30 CFEDMO Cc1ccnc(C[NH2+]CCCC#N)c1Br ZINC000865525434 638396194 /nfs/dbraw/zinc/39/61/94/638396194.db2.gz BHLJXBJTOVVUMV-UHFFFAOYSA-N 1 1 268.158 2.546 20 30 CFEDMO C=CCn1cc(C[NH2+]Cc2cccc(Cl)c2C)nn1 ZINC000865608243 638456070 /nfs/dbraw/zinc/45/60/70/638456070.db2.gz GMTALICZCFCSMZ-UHFFFAOYSA-N 1 1 276.771 2.716 20 30 CFEDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1cc(F)c(C#N)cc1[N+](=O)[O-] 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C[N@H+]1CC[C@@H]2CN(c3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000866207480 638770480 /nfs/dbraw/zinc/77/04/80/638770480.db2.gz WXWALMYEASEKKA-IUODEOHRSA-N 1 1 275.783 2.742 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cccc(C#N)c1O ZINC000866227706 638774473 /nfs/dbraw/zinc/77/44/73/638774473.db2.gz BQQCYUBJKDABGJ-LBPRGKRZSA-N 1 1 296.374 2.576 20 30 CFEDMO Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1[O-] ZINC000866259009 638782059 /nfs/dbraw/zinc/78/20/59/638782059.db2.gz FGYBJLNVFYPVSI-OLZOCXBDSA-N 1 1 298.390 2.756 20 30 CFEDMO Cc1ccccc1[C@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866278399 638787759 /nfs/dbraw/zinc/78/77/59/638787759.db2.gz YWUUYECKFFUCHH-GUYCJALGSA-N 1 1 296.370 2.957 20 30 CFEDMO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1cccc(C#N)c1O ZINC000866339796 638799356 /nfs/dbraw/zinc/79/93/56/638799356.db2.gz FCMGCJIXNZHMJP-YGRLFVJLSA-N 1 1 288.372 2.710 20 30 CFEDMO C=CC[C@H](CC)NC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000868576519 638957918 /nfs/dbraw/zinc/95/79/18/638957918.db2.gz 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C=CC[N@H+]1C[C@@H](NC(=O)[C@H](CC)CCCCC)[C@H](OC)C1 ZINC001213898066 776525535 /nfs/dbraw/zinc/52/55/35/776525535.db2.gz WADNXMVMXXABFC-BZUAXINKSA-N 1 1 296.455 2.594 20 30 CFEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)CCCCC)[C@H](OC)C1 ZINC001213898066 776525543 /nfs/dbraw/zinc/52/55/43/776525543.db2.gz WADNXMVMXXABFC-BZUAXINKSA-N 1 1 296.455 2.594 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC12CC2 ZINC001027963850 776530481 /nfs/dbraw/zinc/53/04/81/776530481.db2.gz FNJJNOLIQSANTR-CABCVRRESA-N 1 1 276.424 2.723 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC001027972477 776536594 /nfs/dbraw/zinc/53/65/94/776536594.db2.gz BMYREBOXZBGSLK-HNNXBMFYSA-N 1 1 289.423 2.792 20 30 CFEDMO C=CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccnc(C2CC2)c1 ZINC001028001980 776549092 /nfs/dbraw/zinc/54/90/92/776549092.db2.gz BXMSMNDQLWKLAD-INIZCTEOSA-N 1 1 299.418 2.729 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c2ccccc12 ZINC001028005512 776550657 /nfs/dbraw/zinc/55/06/57/776550657.db2.gz 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C=C1CCC(C(=O)N2CC[C@H](C[N@H+](C)C(C)C)C2)CC1 ZINC001029826392 777989937 /nfs/dbraw/zinc/98/99/37/777989937.db2.gz PFWKFGCCLSONQL-OAHLLOKOSA-N 1 1 278.440 2.922 20 30 CFEDMO C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)/C(C)=C/CC)C[C@H]2C1 ZINC001271832993 777995611 /nfs/dbraw/zinc/99/56/11/777995611.db2.gz XRMQOAZRFQBPHL-UQCVJFPESA-N 1 1 276.424 2.699 20 30 CFEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)c3ccoc3C)C[C@H]2C1 ZINC001271832625 777995688 /nfs/dbraw/zinc/99/56/88/777995688.db2.gz UCIVHROMNPFTNW-GASCZTMLSA-N 1 1 288.391 2.558 20 30 CFEDMO C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C3CCC3)C[C@H]2C1 ZINC001271860979 778004695 /nfs/dbraw/zinc/00/46/95/778004695.db2.gz QBSFKMGYOQWHCX-OIISXLGYSA-N 1 1 290.451 2.779 20 30 CFEDMO C=CC[N@H+]1C[C@H]2CN(C(=O)C[C@@H](C)CC(C)C)C[C@H]2C1 ZINC001271887426 778010452 /nfs/dbraw/zinc/01/04/52/778010452.db2.gz IQFYDPQOKPHHLI-HRCADAONSA-N 1 1 278.440 2.635 20 30 CFEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C=C1CCC1 ZINC001233624140 778015655 /nfs/dbraw/zinc/01/56/55/778015655.db2.gz 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CC(C)[N@H+]1CC[C@H](Oc2nc3cc(C#N)ccc3o2)C1 ZINC001234455971 778230322 /nfs/dbraw/zinc/23/03/22/778230322.db2.gz JAHGKCFIMJGXAZ-LBPRGKRZSA-N 1 1 271.320 2.561 20 30 CFEDMO C=C(C)C[N@H+](C)CCN(C)C(=O)c1cccc(C(C)C)n1 ZINC001272055865 778233046 /nfs/dbraw/zinc/23/30/46/778233046.db2.gz ZFIRWSKYBIKCFX-UHFFFAOYSA-N 1 1 289.423 2.785 20 30 CFEDMO C=C(Cl)C(C)(C)C(=O)N(C)C[C@H]1CC[N@@H+]1CC(C)C ZINC001234508551 778239958 /nfs/dbraw/zinc/23/99/58/778239958.db2.gz BQELUSSKSMOECG-CYBMUJFWSA-N 1 1 286.847 2.954 20 30 CFEDMO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC[C@H](C)F ZINC001234537125 778247088 /nfs/dbraw/zinc/24/70/88/778247088.db2.gz KXIROVDVZYVYIF-UONOGXRCSA-N 1 1 284.419 2.870 20 30 CFEDMO C=CCc1cc(OC)c(OC)cc1O[C@@H]1CC[N@@H+](C)C1 ZINC001234552695 778250905 /nfs/dbraw/zinc/25/09/05/778250905.db2.gz KRCYITIIKZFFRX-CYBMUJFWSA-N 1 1 277.364 2.515 20 30 CFEDMO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CC=C(C)C ZINC001234614151 778265352 /nfs/dbraw/zinc/26/53/52/778265352.db2.gz 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CFEDMO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001079975254 781631379 /nfs/dbraw/zinc/63/13/79/781631379.db2.gz MSTBZSXAJBSBBI-UKRRQHHQSA-N 1 1 290.407 2.858 20 30 CFEDMO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(F)ccc2CC)C1 ZINC001080039875 781633540 /nfs/dbraw/zinc/63/35/40/781633540.db2.gz POKYLBBCIUYOIQ-MLGOLLRUSA-N 1 1 290.382 2.624 20 30 CFEDMO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001080205047 781639517 /nfs/dbraw/zinc/63/95/17/781639517.db2.gz NBMCSZMFMSCIAB-UKRRQHHQSA-N 1 1 276.424 2.579 20 30 CFEDMO C=C(Cl)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001080269326 781643699 /nfs/dbraw/zinc/64/36/99/781643699.db2.gz CKXMXSQXTKCLDI-BPLDGKMQSA-N 1 1 296.842 2.922 20 30 CFEDMO C=C(Cl)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001080269326 781643703 /nfs/dbraw/zinc/64/37/03/781643703.db2.gz CKXMXSQXTKCLDI-BPLDGKMQSA-N 1 1 296.842 2.922 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001080362926 781651560 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CFEDMO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001080984101 781689272 /nfs/dbraw/zinc/68/92/72/781689272.db2.gz HYOHCUSIYFCVQF-RDTXWAMCSA-N 1 1 296.414 2.637 20 30 CFEDMO CC#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CCC(C)CC2)C1 ZINC001081020094 781695965 /nfs/dbraw/zinc/69/59/65/781695965.db2.gz QUHCLUNTXJJBDN-GARNVTTQSA-N 1 1 290.451 2.663 20 30 CFEDMO COCC[N@@H+](C)Cc1ccnc(-c2ccccc2C#N)c1 ZINC001242716058 781715648 /nfs/dbraw/zinc/71/56/48/781715648.db2.gz QNTQRKAZMILDLD-UHFFFAOYSA-N 1 1 281.359 2.698 20 30 CFEDMO CCN(CC)c1ncc(C=[NH+]N[C@@H]2CCCSC2)s1 ZINC001119307129 781758730 /nfs/dbraw/zinc/75/87/30/781758730.db2.gz LIZIJZQYXKMQLQ-LLVKDONJSA-N 1 1 298.481 2.808 20 30 CFEDMO CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CCCCC3)[C@@H]2C1 ZINC001084174011 781777634 /nfs/dbraw/zinc/77/76/34/781777634.db2.gz JAMKTDSHMFLFLO-IAGOWNOFSA-N 1 1 288.435 2.513 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)CC)[C@@H]2C1 ZINC001084197976 781780327 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30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3(C)CC=CC3)[C@@H]2C1 ZINC001084632706 781813738 /nfs/dbraw/zinc/81/37/38/781813738.db2.gz INVOJUOXXIGWKQ-HZPDHXFCSA-N 1 1 288.435 2.842 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@]34C[C@@H]3CCCC4)[C@@H]2C1 ZINC001084644386 781814578 /nfs/dbraw/zinc/81/45/78/781814578.db2.gz SFOXVJCKQABCBA-HPFXQQBRSA-N 1 1 288.435 2.676 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CC3)[C@@H]2C1 ZINC001084636797 781814602 /nfs/dbraw/zinc/81/46/02/781814602.db2.gz VSQJTCUWHUJHII-HUUCEWRRSA-N 1 1 276.424 2.676 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@]34C[C@H]3CCCC4)[C@@H]2C1 ZINC001084644389 781816143 /nfs/dbraw/zinc/81/61/43/781816143.db2.gz SFOXVJCKQABCBA-YFHUEUNASA-N 1 1 288.435 2.676 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C(C)(F)F)CC3)[C@@H]2C1 ZINC001084667291 781817461 /nfs/dbraw/zinc/81/74/61/781817461.db2.gz XIXINSFOAUBHEA-CHWSQXEVSA-N 1 1 298.377 2.531 20 30 CFEDMO C#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC(C)(C)C ZINC001098909962 781820551 /nfs/dbraw/zinc/82/05/51/781820551.db2.gz HLOYLACETSSHHU-CQSZACIVSA-N 1 1 278.440 2.663 20 30 CFEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CCCC ZINC001098910718 781825653 /nfs/dbraw/zinc/82/56/53/781825653.db2.gz NUKWCARWWUVVJG-HNNXBMFYSA-N 1 1 278.440 2.807 20 30 CFEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCCC ZINC001098912030 781827323 /nfs/dbraw/zinc/82/73/23/781827323.db2.gz ZRTUKAZBJCPLAZ-OAHLLOKOSA-N 1 1 278.440 2.807 20 30 CFEDMO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(C)cn1 ZINC001273231157 781832284 /nfs/dbraw/zinc/83/22/84/781832284.db2.gz MFEQNLYKFPSQIS-SFHVURJKSA-N 1 1 299.418 2.533 20 30 CFEDMO C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3(CC)CCCCC3)[C@@H]2C1 ZINC001084847713 781846501 /nfs/dbraw/zinc/84/65/01/781846501.db2.gz HWLPCMZLTUYGKT-HZPDHXFCSA-N 1 1 288.435 2.513 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(CC)CCCCC3)[C@@H]2C1 ZINC001084847713 781846508 /nfs/dbraw/zinc/84/65/08/781846508.db2.gz HWLPCMZLTUYGKT-HZPDHXFCSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@]3(C)CC=C(C)CC3)[C@@H]2C1 ZINC001084845688 781847692 /nfs/dbraw/zinc/84/76/92/781847692.db2.gz CLPMZVWWRSXDEG-NUJGCVRESA-N 1 1 288.435 2.842 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)s3)[C@@H]2C1 ZINC001084863984 781849177 /nfs/dbraw/zinc/84/91/77/781849177.db2.gz ATGOIXUUISPVCH-VXGBXAGGSA-N 1 1 294.395 2.610 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)s3)[C@@H]2C1 ZINC001084863984 781849187 /nfs/dbraw/zinc/84/91/87/781849187.db2.gz ATGOIXUUISPVCH-VXGBXAGGSA-N 1 1 294.395 2.610 20 30 CFEDMO CC#CC[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H](C)C(C)(C)C)C[C@@H]21 ZINC001084972114 781871366 /nfs/dbraw/zinc/87/13/66/781871366.db2.gz ORLRLHFLOMSQHP-OAGGEKHMSA-N 1 1 290.451 2.615 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](CC)[C@H]2C1 ZINC001085024411 781882559 /nfs/dbraw/zinc/88/25/59/781882559.db2.gz SOBSEINCBSLBFB-IJEWVQPXSA-N 1 1 264.413 2.531 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC(C)(C)C3)C[C@@H]21 ZINC001085025877 781882665 /nfs/dbraw/zinc/88/26/65/781882665.db2.gz KHHNPDHWSOTASJ-PMPSAXMXSA-N 1 1 290.451 2.922 20 30 CFEDMO CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1[O-] ZINC000822658688 781906622 /nfs/dbraw/zinc/90/66/22/781906622.db2.gz QGOSUIWHDLKOIV-CXAGYDPISA-N 1 1 299.418 2.789 20 30 CFEDMO C=C[C@H](C(=O)N1CC[C@H]2CC[N@H+](CC)[C@H]2C1)c1ccccc1 ZINC001085099392 781911560 /nfs/dbraw/zinc/91/15/60/781911560.db2.gz QKCGATXTICTBGT-SQNIBIBYSA-N 1 1 298.430 2.899 20 30 CFEDMO C=CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)OC ZINC001231147235 781915076 /nfs/dbraw/zinc/91/50/76/781915076.db2.gz ABNATYQQYCLTND-HZPDHXFCSA-N 1 1 296.455 2.691 20 30 CFEDMO C=CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H](C)OC ZINC001231147230 781915317 /nfs/dbraw/zinc/91/53/17/781915317.db2.gz ABNATYQQYCLTND-HOTGVXAUSA-N 1 1 296.455 2.691 20 30 CFEDMO CC(C)(C#N)c1ccc(C[NH2+]Cc2nnc(C3CC3)[nH]2)cc1 ZINC000594510000 349434676 /nfs/dbraw/zinc/43/46/76/349434676.db2.gz ZPMYRTMIFJVCLR-UHFFFAOYSA-N 1 1 295.390 2.773 20 30 CFEDMO N#Cc1ccc(CN[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1F ZINC000594522109 349441041 /nfs/dbraw/zinc/44/10/41/349441041.db2.gz HSEUEVTXNHFHLQ-SJORKVTESA-N 1 1 287.382 2.804 20 30 CFEDMO N#Cc1ccc(CN[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1F ZINC000594522109 349441045 /nfs/dbraw/zinc/44/10/45/349441045.db2.gz HSEUEVTXNHFHLQ-SJORKVTESA-N 1 1 287.382 2.804 20 30 CFEDMO N#CCC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000594583044 349451820 /nfs/dbraw/zinc/45/18/20/349451820.db2.gz RWEJVBSFAAILLE-OAGGEKHMSA-N 1 1 257.381 2.891 20 30 CFEDMO N#Cc1ccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000594599245 349457159 /nfs/dbraw/zinc/45/71/59/349457159.db2.gz IMUPFJBNBAZDCA-HOTGVXAUSA-N 1 1 255.365 2.987 20 30 CFEDMO COc1ccnc(C[NH2+][C@@H](C)c2cccc(C#N)c2)c1F ZINC000594728510 349481916 /nfs/dbraw/zinc/48/19/16/349481916.db2.gz OWDKIZKYUMHLGQ-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO Cc1ncc(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)o1 ZINC000594943171 349521546 /nfs/dbraw/zinc/52/15/46/349521546.db2.gz ACUWZRMNEWAQEC-UHFFFAOYSA-N 1 1 267.332 2.828 20 30 CFEDMO Cc1ccc(C#N)cc1NCc1c[nH+]c2n1CCC2 ZINC000594945956 349523304 /nfs/dbraw/zinc/52/33/04/349523304.db2.gz JZKXIJRZFIORTN-UHFFFAOYSA-N 1 1 252.321 2.622 20 30 CFEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)c2ncnn21 ZINC000594955765 349528104 /nfs/dbraw/zinc/52/81/04/349528104.db2.gz APLAUWHLPGFEFJ-IUODEOHRSA-N 1 1 293.374 2.629 20 30 CFEDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2ncnn21 ZINC000594955828 349528153 /nfs/dbraw/zinc/52/81/53/349528153.db2.gz BHQSIDGTTCOBKW-WFASDCNBSA-N 1 1 295.390 2.875 20 30 CFEDMO CC(C)([NH2+]Cc1cc2n(n1)CCC2)c1cccc(C#N)c1 ZINC000594970574 349536086 /nfs/dbraw/zinc/53/60/86/349536086.db2.gz YOIJKIGUSBNHDW-UHFFFAOYSA-N 1 1 280.375 2.726 20 30 CFEDMO Cc1ccc(O)c(C[NH2+]CC2(C#N)CCCCC2)n1 ZINC000594981258 349537961 /nfs/dbraw/zinc/53/79/61/349537961.db2.gz MNVTZDHXJIPBJQ-UHFFFAOYSA-N 1 1 259.353 2.659 20 30 CFEDMO CCc1ncc(C[NH2+]CC2(C#N)CCCCC2)cn1 ZINC000594981405 349538196 /nfs/dbraw/zinc/53/81/96/349538196.db2.gz OLMFKPARKCJLBN-UHFFFAOYSA-N 1 1 258.369 2.603 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C#N)cc2C)[C@H](C)C1 ZINC000125192278 187174208 /nfs/dbraw/zinc/17/42/08/187174208.db2.gz WCONEAVVFWVZPT-PBHICJAKSA-N 1 1 299.418 2.669 20 30 CFEDMO CCC[N@@H+](C)CC(C)(C)NCc1ccc(C#N)c(OC)c1 ZINC000595001102 349544475 /nfs/dbraw/zinc/54/44/75/349544475.db2.gz QJCHIEWKMYMARU-UHFFFAOYSA-N 1 1 289.423 2.777 20 30 CFEDMO CCCN(C)CC(C)(C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000595001102 349544480 /nfs/dbraw/zinc/54/44/80/349544480.db2.gz QJCHIEWKMYMARU-UHFFFAOYSA-N 1 1 289.423 2.777 20 30 CFEDMO Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1(C#N)CCCCC1 ZINC000595091671 349578206 /nfs/dbraw/zinc/57/82/06/349578206.db2.gz SZYNLDLQHOEVAX-CQSZACIVSA-N 1 1 272.396 2.861 20 30 CFEDMO C[C@H]1CCC[N@@H+](CCCCNC(=O)C2(C#N)CCCC2)C1 ZINC000068127100 346837239 /nfs/dbraw/zinc/83/72/39/346837239.db2.gz ILBNZJLQNOHKJK-HNNXBMFYSA-N 1 1 291.439 2.699 20 30 CFEDMO CC[NH+](CC)C[C@H]1CCN(CCc2ccc(C#N)cc2)C1 ZINC000595330024 349603158 /nfs/dbraw/zinc/60/31/58/349603158.db2.gz GXJAWRWHLGCGAZ-GOSISDBHSA-N 1 1 285.435 2.764 20 30 CFEDMO CC(C)C[N@@H+](Cc1cn(C)cn1)Cc1ccc(C#N)cc1 ZINC000595296793 349594804 /nfs/dbraw/zinc/59/48/04/349594804.db2.gz KTNIZKGCIUTEPE-UHFFFAOYSA-N 1 1 282.391 2.950 20 30 CFEDMO C[C@H]1[N@@H+](CCc2ccc(C#N)cc2)CCOC1(C)C ZINC000595347186 349607354 /nfs/dbraw/zinc/60/73/54/349607354.db2.gz NWXZAWIHCQJNRU-CYBMUJFWSA-N 1 1 258.365 2.600 20 30 CFEDMO CCn1cc([C@H](C)[NH2+]Cc2ccccc2C#N)cn1 ZINC000294970435 199276612 /nfs/dbraw/zinc/27/66/12/199276612.db2.gz XKAAYWAQSTZBCV-LBPRGKRZSA-N 1 1 254.337 2.625 20 30 CFEDMO C[C@@H](CC#N)[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000068612992 346861974 /nfs/dbraw/zinc/86/19/74/346861974.db2.gz USCNYKOZGWOCPD-JTQLQIEISA-N 1 1 272.270 2.976 20 30 CFEDMO C[N@@H+](CCc1ccc(C#N)cc1)C[C@H]1CCCC[C@@H]1O ZINC000595430071 349624297 /nfs/dbraw/zinc/62/42/97/349624297.db2.gz VVTJMWRFJFOEBZ-SJORKVTESA-N 1 1 272.392 2.584 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2OC)CCS1 ZINC000154155841 529396297 /nfs/dbraw/zinc/39/62/97/529396297.db2.gz ICBCBQNUIULOOU-CQSZACIVSA-N 1 1 276.405 2.894 20 30 CFEDMO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1C[C@H](C)CC ZINC001231170904 781920194 /nfs/dbraw/zinc/92/01/94/781920194.db2.gz VNUMETVMZNSLRZ-KGLIPLIRSA-N 1 1 252.402 2.531 20 30 CFEDMO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)[C@@H](C)[C@H](C)O1 ZINC000595447599 349629465 /nfs/dbraw/zinc/62/94/65/349629465.db2.gz IQWRGUDHMWFXLI-RDBSUJKOSA-N 1 1 258.365 2.598 20 30 CFEDMO CC(C)[C@@H]1CN([C@@H](C#N)c2ccccc2)CC[N@H+]1C ZINC000595461802 349634787 /nfs/dbraw/zinc/63/47/87/349634787.db2.gz NXIOLTPSCOUSIB-HOTGVXAUSA-N 1 1 257.381 2.523 20 30 CFEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595459331 349633779 /nfs/dbraw/zinc/63/37/79/349633779.db2.gz NFTQCYJZJJLNMO-JKIFEVAISA-N 1 1 272.392 2.582 20 30 CFEDMO C[C@@H](CO)[N@@H+](CCc1ccc(C#N)cc1)CC1CCC1 ZINC000595466909 349635704 /nfs/dbraw/zinc/63/57/04/349635704.db2.gz PSIWRKCBHPGLGB-AWEZNQCLSA-N 1 1 272.392 2.584 20 30 CFEDMO CC(C)(C)[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595469208 349636572 /nfs/dbraw/zinc/63/65/72/349636572.db2.gz VNKWFXXCENZMJG-INIZCTEOSA-N 1 1 272.392 2.848 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000595482848 349639295 /nfs/dbraw/zinc/63/92/95/349639295.db2.gz KWQRDDCZXKHTKX-UHFFFAOYSA-N 1 1 294.354 2.701 20 30 CFEDMO C[C@@H]1CN([C@H](C#N)c2ccccc2)CC[N@H+](C2CC2)C1 ZINC000595506687 349645562 /nfs/dbraw/zinc/64/55/62/349645562.db2.gz GGEUUMXCOQNQBW-WMLDXEAASA-N 1 1 269.392 2.667 20 30 CFEDMO CC[N@H+]1CCC[C@@H](CNc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000069142590 346883199 /nfs/dbraw/zinc/88/31/99/346883199.db2.gz LKTOASJVCJLLBQ-ZDUSSCGKSA-N 1 1 288.351 2.610 20 30 CFEDMO CC(C)O[C@@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595559147 349659798 /nfs/dbraw/zinc/65/97/98/349659798.db2.gz PZZBQVVSHRPYIG-QGZVFWFLSA-N 1 1 272.392 2.990 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000595535829 349652758 /nfs/dbraw/zinc/65/27/58/349652758.db2.gz QWLHIZQUYCLZQE-RTBURBONSA-N 1 1 292.382 2.909 20 30 CFEDMO N#CCc1ccc(C[N@@H+](C2CC2)C2(CO)CCC2)cc1 ZINC000595534450 349653292 /nfs/dbraw/zinc/65/32/92/349653292.db2.gz UEAPFECIFWJOBF-UHFFFAOYSA-N 1 1 270.376 2.632 20 30 CFEDMO CC[C@@H](C)[N@@H+](CC)C[C@H](O)COc1ccc(CC#N)cc1 ZINC000595600172 349669679 /nfs/dbraw/zinc/66/96/79/349669679.db2.gz NHPYCHQKSFNGMU-ZBFHGGJFSA-N 1 1 290.407 2.613 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@H](CO)Cc1ccccc1 ZINC000595599560 349669779 /nfs/dbraw/zinc/66/97/79/349669779.db2.gz YLOCPWCFZLQQAE-KRWDZBQOSA-N 1 1 298.361 2.733 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000595590706 349666869 /nfs/dbraw/zinc/66/68/69/349666869.db2.gz ASNHINHPYSKRIG-LJQANCHMSA-N 1 1 294.398 2.902 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@@H](CO)Cc1ccccc1 ZINC000595590685 349667203 /nfs/dbraw/zinc/66/72/03/349667203.db2.gz APFVDNPJFLZOPB-QGZVFWFLSA-N 1 1 298.361 2.733 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)c(F)c1)[C@H](CO)Cc1ccccc1 ZINC000595590679 349667211 /nfs/dbraw/zinc/66/72/11/349667211.db2.gz APFVDNPJFLZOPB-KRWDZBQOSA-N 1 1 298.361 2.733 20 30 CFEDMO C[C@@H](C(=O)N1CCc2ccccc21)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610173 349674768 /nfs/dbraw/zinc/67/47/68/349674768.db2.gz SNDIIEFPTPHBNJ-GJZGRUSLSA-N 1 1 297.402 2.590 20 30 CFEDMO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610173 349674770 /nfs/dbraw/zinc/67/47/70/349674770.db2.gz SNDIIEFPTPHBNJ-GJZGRUSLSA-N 1 1 297.402 2.590 20 30 CFEDMO C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595611126 349675108 /nfs/dbraw/zinc/67/51/08/349675108.db2.gz HFILNQBTEKKECY-RDJZCZTQSA-N 1 1 299.418 2.659 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](CCCCCn2cccn2)C1 ZINC000595613806 349675741 /nfs/dbraw/zinc/67/57/41/349675741.db2.gz HXLULKBOVIBDHZ-HNNXBMFYSA-N 1 1 260.385 2.679 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000595611680 349675928 /nfs/dbraw/zinc/67/59/28/349675928.db2.gz MTNQKIDTENJDDE-GFCCVEGCSA-N 1 1 255.321 2.953 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000595611680 349675931 /nfs/dbraw/zinc/67/59/31/349675931.db2.gz MTNQKIDTENJDDE-GFCCVEGCSA-N 1 1 255.321 2.953 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000595613775 349676035 /nfs/dbraw/zinc/67/60/35/349676035.db2.gz HIQLNXCKUVSURS-INIZCTEOSA-N 1 1 291.439 2.699 20 30 CFEDMO Cc1cccc2nc(C[N@@H+]3CCC[C@H](CC#N)C3)cn21 ZINC000595612380 349676088 /nfs/dbraw/zinc/67/60/88/349676088.db2.gz VIUFGXVLHYIPBO-CQSZACIVSA-N 1 1 268.364 2.768 20 30 CFEDMO Cc1cccc2nc(C[N@H+]3CCC[C@H](CC#N)C3)cn21 ZINC000595612380 349676092 /nfs/dbraw/zinc/67/60/92/349676092.db2.gz VIUFGXVLHYIPBO-CQSZACIVSA-N 1 1 268.364 2.768 20 30 CFEDMO Cc1cccn2cc(C[N@@H+]3CCC[C@@H](CC#N)C3)nc12 ZINC000595612559 349676301 /nfs/dbraw/zinc/67/63/01/349676301.db2.gz XZGJGYSNMFLAQX-AWEZNQCLSA-N 1 1 268.364 2.768 20 30 CFEDMO Cc1cccn2cc(C[N@H+]3CCC[C@@H](CC#N)C3)nc12 ZINC000595612559 349676304 /nfs/dbraw/zinc/67/63/04/349676304.db2.gz XZGJGYSNMFLAQX-AWEZNQCLSA-N 1 1 268.364 2.768 20 30 CFEDMO CCOc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)nc1 ZINC000595615687 349677380 /nfs/dbraw/zinc/67/73/80/349677380.db2.gz MOLYOERHECVQSC-CYBMUJFWSA-N 1 1 259.353 2.606 20 30 CFEDMO CCOc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)nc1 ZINC000595615687 349677384 /nfs/dbraw/zinc/67/73/84/349677384.db2.gz MOLYOERHECVQSC-CYBMUJFWSA-N 1 1 259.353 2.606 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000595614325 349677617 /nfs/dbraw/zinc/67/76/17/349677617.db2.gz KGUJHVOLGHJCDZ-AWEZNQCLSA-N 1 1 269.348 2.563 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCO3)C1 ZINC000595617393 349678416 /nfs/dbraw/zinc/67/84/16/349678416.db2.gz ZMRBMZXFQHBCIJ-ZDUSSCGKSA-N 1 1 272.348 2.583 20 30 CFEDMO CCOc1cccc(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595620833 349679695 /nfs/dbraw/zinc/67/96/95/349679695.db2.gz RINHNYZMLFBYFU-ZDUSSCGKSA-N 1 1 259.353 2.606 20 30 CFEDMO CCOc1cccc(C[N@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000595620833 349679699 /nfs/dbraw/zinc/67/96/99/349679699.db2.gz RINHNYZMLFBYFU-ZDUSSCGKSA-N 1 1 259.353 2.606 20 30 CFEDMO Cn1c2ccccc2nc1CC[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595619828 349679823 /nfs/dbraw/zinc/67/98/23/349679823.db2.gz HGEUZXFUAVJUFM-AWEZNQCLSA-N 1 1 282.391 2.741 20 30 CFEDMO COC(=O)c1ccccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595621749 349679853 /nfs/dbraw/zinc/67/98/53/349679853.db2.gz YFJCFICXXKUGNQ-ZDUSSCGKSA-N 1 1 272.348 2.599 20 30 CFEDMO COC(=O)c1ccccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595621749 349679855 /nfs/dbraw/zinc/67/98/55/349679855.db2.gz YFJCFICXXKUGNQ-ZDUSSCGKSA-N 1 1 272.348 2.599 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC000595623342 349680428 /nfs/dbraw/zinc/68/04/28/349680428.db2.gz NLDLVFPLLUGTOT-WMZOPIPTSA-N 1 1 299.418 2.517 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](CCOCC(F)(F)C(F)F)C1 ZINC000595622655 349680864 /nfs/dbraw/zinc/68/08/64/349680864.db2.gz CEQXFIHEZGZVFS-SNVBAGLBSA-N 1 1 282.281 2.529 20 30 CFEDMO N#CC[C@@H]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000595623214 349681080 /nfs/dbraw/zinc/68/10/80/349681080.db2.gz JXCIRQVWLDOKBS-ZWKOTPCHSA-N 1 1 283.419 2.887 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000595623214 349681083 /nfs/dbraw/zinc/68/10/83/349681083.db2.gz JXCIRQVWLDOKBS-ZWKOTPCHSA-N 1 1 283.419 2.887 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C2)C1 ZINC000595623214 349681086 /nfs/dbraw/zinc/68/10/86/349681086.db2.gz JXCIRQVWLDOKBS-ZWKOTPCHSA-N 1 1 283.419 2.887 20 30 CFEDMO CC(C)(C#N)CC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595629124 349682658 /nfs/dbraw/zinc/68/26/58/349682658.db2.gz CREKDEYEOJZRHE-UHFFFAOYSA-N 1 1 288.420 2.682 20 30 CFEDMO C=CC[N@H+](Cc1cc(C(=O)OC)sc1C)[C@H](C)COC ZINC000595648302 349689962 /nfs/dbraw/zinc/68/99/62/349689962.db2.gz SHTXHHAYLNVZAL-LLVKDONJSA-N 1 1 297.420 2.866 20 30 CFEDMO C=CC[N@@H+](Cc1cc(C(=O)OC)sc1C)[C@H](C)COC ZINC000595648302 349689965 /nfs/dbraw/zinc/68/99/65/349689965.db2.gz SHTXHHAYLNVZAL-LLVKDONJSA-N 1 1 297.420 2.866 20 30 CFEDMO C=CC[N@H+](CCC(=O)N(C)C)CC1CCCCC1 ZINC000069859693 346901929 /nfs/dbraw/zinc/90/19/29/346901929.db2.gz QMUHFDUEIFSZIX-UHFFFAOYSA-N 1 1 252.402 2.533 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000595660502 349693877 /nfs/dbraw/zinc/69/38/77/349693877.db2.gz SQLMBDGTVXMAAQ-GFCCVEGCSA-N 1 1 289.404 2.846 20 30 CFEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000595660502 349693880 /nfs/dbraw/zinc/69/38/80/349693880.db2.gz SQLMBDGTVXMAAQ-GFCCVEGCSA-N 1 1 289.404 2.846 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000595678714 349698733 /nfs/dbraw/zinc/69/87/33/349698733.db2.gz UFWVORMZNBRWBR-XJKSGUPXSA-N 1 1 288.391 2.550 20 30 CFEDMO C[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1CCO ZINC000595693043 349703815 /nfs/dbraw/zinc/70/38/15/349703815.db2.gz DBKSOSBEZJECRL-HOTGVXAUSA-N 1 1 294.439 2.570 20 30 CFEDMO C[C@H](CO)[C@@H]1CCCC[N@H+]1Cc1cccc(C#N)c1 ZINC000595670265 349695991 /nfs/dbraw/zinc/69/59/91/349695991.db2.gz ACPDOSSFRCDNGX-CJNGLKHVSA-N 1 1 258.365 2.541 20 30 CFEDMO COc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C)CO)cc1C#N ZINC000595676760 349696742 /nfs/dbraw/zinc/69/67/42/349696742.db2.gz NZTVGPPEXXEPJX-CJNGLKHVSA-N 1 1 288.391 2.550 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000595678696 349697780 /nfs/dbraw/zinc/69/77/80/349697780.db2.gz SXKQNLOJJJMPDS-RHSMWYFYSA-N 1 1 272.392 2.850 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC000595732522 349719889 /nfs/dbraw/zinc/71/98/89/349719889.db2.gz ITEVPZFLBQUSJO-MELADBBJSA-N 1 1 251.370 2.616 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595750379 349722665 /nfs/dbraw/zinc/72/26/65/349722665.db2.gz MFPHODMJHQMHFQ-KRWDZBQOSA-N 1 1 270.376 2.604 20 30 CFEDMO C[N@@H+](CCCOc1cccc(C#N)c1)CC1=CCCOC1 ZINC000595751058 349722729 /nfs/dbraw/zinc/72/27/29/349722729.db2.gz GGYHGXAYWZGUIK-UHFFFAOYSA-N 1 1 286.375 2.606 20 30 CFEDMO 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Cc1ccc([C@@H]2CSCC[N@H+]2CCCC#N)o1 ZINC000076009894 347113458 /nfs/dbraw/zinc/11/34/58/347113458.db2.gz NPLXGIVAHPXIJS-LBPRGKRZSA-N 1 1 250.367 2.982 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc(Cl)c(C#N)n1 ZINC000067367943 346799703 /nfs/dbraw/zinc/79/97/03/346799703.db2.gz ZZOKUQKVEMBXHS-LLVKDONJSA-N 1 1 278.787 2.893 20 30 CFEDMO N#Cc1nccnc1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000067373384 346800419 /nfs/dbraw/zinc/80/04/19/346800419.db2.gz WCZCBVAUUSKPMO-HNNXBMFYSA-N 1 1 299.422 2.805 20 30 CFEDMO CCC(N)=[NH+]OCC(=O)N[C@@H](CC)c1ccc(Cl)cc1 ZINC000067385599 346800751 /nfs/dbraw/zinc/80/07/51/346800751.db2.gz ZRMULFISCIFBGI-LBPRGKRZSA-N 1 1 297.786 2.606 20 30 CFEDMO CC[N@@H+](CCc1ccccc1)C[C@H](C#N)CCC#N ZINC000076512410 347141785 /nfs/dbraw/zinc/14/17/85/347141785.db2.gz XPLUBUYCVPPLRQ-INIZCTEOSA-N 1 1 255.365 2.995 20 30 CFEDMO C=CCCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000076734284 347150364 /nfs/dbraw/zinc/15/03/64/347150364.db2.gz XFIIMNPXJWKQKG-CQSZACIVSA-N 1 1 255.308 2.896 20 30 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284.403 2.854 20 30 CFEDMO CC(C)Oc1ccccc1C[NH+]1CCN(CCC#N)CC1 ZINC000078527633 347259849 /nfs/dbraw/zinc/25/98/49/347259849.db2.gz KBTYRTDKGWBHNO-UHFFFAOYSA-N 1 1 287.407 2.505 20 30 CFEDMO N#CCc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)cc1 ZINC000080496428 347361706 /nfs/dbraw/zinc/36/17/06/347361706.db2.gz AMCFCEPGJWQFPA-HOCLYGCPSA-N 1 1 283.375 2.566 20 30 CFEDMO C=CCNC(=O)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000083422657 347450664 /nfs/dbraw/zinc/45/06/64/347450664.db2.gz CJBZHTCFFKETQK-UHFFFAOYSA-N 1 1 290.794 2.731 20 30 CFEDMO C=CCNC(=O)C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000083422657 347450667 /nfs/dbraw/zinc/45/06/67/347450667.db2.gz CJBZHTCFFKETQK-UHFFFAOYSA-N 1 1 290.794 2.731 20 30 CFEDMO N#Cc1cccc(NC(=O)CC[N@H+]2CCC23CCC3)c1 ZINC000081516033 347423119 /nfs/dbraw/zinc/42/31/19/347423119.db2.gz SGDVDOULUHTBAU-UHFFFAOYSA-N 1 1 269.348 2.515 20 30 CFEDMO C=CCC[C@H]([NH2+]Cc1nnnn1C1CC1)c1ccccc1 ZINC000090172615 347544959 /nfs/dbraw/zinc/54/49/59/347544959.db2.gz 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CC(C)[C@@H]1CCC[N@@H+](CC(=O)N[C@@](C)(C#N)C2CC2)CC1 ZINC000114729843 347775242 /nfs/dbraw/zinc/77/52/42/347775242.db2.gz SJDFDRRUHIEUFR-PBHICJAKSA-N 1 1 291.439 2.553 20 30 CFEDMO COc1cc2c(c(C[NH+]3CCC(C#N)CC3)c1)O[C@H](C)C2 ZINC000123665343 347820642 /nfs/dbraw/zinc/82/06/42/347820642.db2.gz CGHKUJYKHGCLTE-GFCCVEGCSA-N 1 1 286.375 2.754 20 30 CFEDMO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C#N)CC1 ZINC000142042940 347932792 /nfs/dbraw/zinc/93/27/92/347932792.db2.gz XRXYBJZWEKKUES-NSHDSACASA-N 1 1 259.309 2.891 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412040039 232831453 /nfs/dbraw/zinc/83/14/53/232831453.db2.gz ILGLYROIKNORTM-ZFVVBOAOSA-N 1 1 270.376 2.712 20 30 CFEDMO C=C(Br)CNc1cc(CC)[nH+]c(C)n1 ZINC000163795217 348035022 /nfs/dbraw/zinc/03/50/22/348035022.db2.gz LKGAALIRWVHRAD-UHFFFAOYSA-N 1 1 256.147 2.668 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000172909551 348104636 /nfs/dbraw/zinc/10/46/36/348104636.db2.gz 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ZINC000323479711 348438431 /nfs/dbraw/zinc/43/84/31/348438431.db2.gz YVMDQPFKROAPGN-BJMVGYQFSA-N 1 1 258.365 2.952 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)CC2(C#N)CCCCC2)C1 ZINC000596806898 349991791 /nfs/dbraw/zinc/99/17/91/349991791.db2.gz DEFPGSAEXNXVIX-OAHLLOKOSA-N 1 1 291.439 2.699 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000357047275 348504295 /nfs/dbraw/zinc/50/42/95/348504295.db2.gz VHEKEOYHRVRRJZ-HUUCEWRRSA-N 1 1 291.439 2.507 20 30 CFEDMO Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413162554 233026610 /nfs/dbraw/zinc/02/66/10/233026610.db2.gz OQRWYWUXZNLFCI-YPMHNXCESA-N 1 1 288.351 2.670 20 30 CFEDMO CC[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)[C@@H](C)CO1 ZINC000403843637 348587606 /nfs/dbraw/zinc/58/76/06/348587606.db2.gz QBVJCFUAJKFXPW-BBRMVZONSA-N 1 1 258.365 2.752 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2C)[C@@H](C)CO1 ZINC000403881148 348588665 /nfs/dbraw/zinc/58/86/65/348588665.db2.gz TVKDOHYEOWIJDK-XJKSGUPXSA-N 1 1 258.365 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CFEDMO C[C@@H]1CN(CCC#N)[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000404450115 348592259 /nfs/dbraw/zinc/59/22/59/348592259.db2.gz YJVSCBAUUWWQPF-BZUAXINKSA-N 1 1 271.408 2.883 20 30 CFEDMO CC(C)O[C@@H]1CCC[N@@H+](CCOc2cccc(C#N)c2)C1 ZINC000404686074 348594128 /nfs/dbraw/zinc/59/41/28/348594128.db2.gz GKDGHUZQCUQQSE-QGZVFWFLSA-N 1 1 288.391 2.826 20 30 CFEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C[C@H](C)OC ZINC001098966429 781928058 /nfs/dbraw/zinc/92/80/58/781928058.db2.gz MXPWARVGEOYNGW-GJZGRUSLSA-N 1 1 296.455 2.594 20 30 CFEDMO C[C@H](CNC(=O)CCCCCC#N)[N@H+]1CCCC[C@H]1C ZINC000588150466 348773568 /nfs/dbraw/zinc/77/35/68/348773568.db2.gz VQLQZDLGRVCLKZ-HUUCEWRRSA-N 1 1 279.428 2.840 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)CCn1ccccc1=O ZINC000586830650 348757345 /nfs/dbraw/zinc/75/73/45/348757345.db2.gz PDFLZEMILZHONW-UHFFFAOYSA-N 1 1 282.387 2.579 20 30 CFEDMO COCCOCC[N@@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000588981946 348807238 /nfs/dbraw/zinc/80/72/38/348807238.db2.gz 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ZINC000276450098 193336247 /nfs/dbraw/zinc/33/62/47/193336247.db2.gz PNKZKLGMSVVERB-UHFFFAOYSA-N 1 1 262.353 2.532 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000276422793 193324796 /nfs/dbraw/zinc/32/47/96/193324796.db2.gz MUFVMQNZMQTBPA-UHFFFAOYSA-N 1 1 260.381 2.936 20 30 CFEDMO C=CCC[N@@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000276477920 193348106 /nfs/dbraw/zinc/34/81/06/193348106.db2.gz SJUGWMLWQQGTAM-UHFFFAOYSA-N 1 1 275.377 2.743 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)Nc1nc2ccccc2s1 ZINC000276477920 193348107 /nfs/dbraw/zinc/34/81/07/193348107.db2.gz SJUGWMLWQQGTAM-UHFFFAOYSA-N 1 1 275.377 2.743 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000276486542 193350885 /nfs/dbraw/zinc/35/08/85/193350885.db2.gz UHIFZUWIAPSBSC-UHFFFAOYSA-N 1 1 284.306 2.734 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000677048278 541813613 /nfs/dbraw/zinc/81/36/13/541813613.db2.gz TXPYXZCDQGKUBT-NOLJZWGESA-N 1 1 263.356 2.941 20 30 CFEDMO C[N@H+](Cc1cnc(C2CC2)nc1)Cc1cccc(C#N)c1 ZINC000459294311 245123530 /nfs/dbraw/zinc/12/35/30/245123530.db2.gz GQSWDQVVUYVWCP-UHFFFAOYSA-N 1 1 278.359 2.858 20 30 CFEDMO C[N@@H+](Cc1cnc(C2CC2)nc1)Cc1cccc(C#N)c1 ZINC000459294311 245123532 /nfs/dbraw/zinc/12/35/32/245123532.db2.gz GQSWDQVVUYVWCP-UHFFFAOYSA-N 1 1 278.359 2.858 20 30 CFEDMO COCC#CC[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000677133157 541825604 /nfs/dbraw/zinc/82/56/04/541825604.db2.gz KIRDYXFXVGBJNF-ZDUSSCGKSA-N 1 1 265.784 2.853 20 30 CFEDMO COCC#CC[N@H+]1CCC[C@@H]1Cc1ccc(C)cc1 ZINC000677133312 541826241 /nfs/dbraw/zinc/82/62/41/541826241.db2.gz RFVYGJRTYSXOLQ-QGZVFWFLSA-N 1 1 257.377 2.652 20 30 CFEDMO CCOC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1OC ZINC000459698451 245277370 /nfs/dbraw/zinc/27/73/70/245277370.db2.gz CBVODVIROFYZET-MRXNPFEDSA-N 1 1 288.391 2.958 20 30 CFEDMO C[C@H](C[N@@H+](C)Cc1ccccc1C#N)C(=O)OC(C)(C)C ZINC000459782859 245324695 /nfs/dbraw/zinc/32/46/95/245324695.db2.gz YHDWNFMXBBBSRE-CYBMUJFWSA-N 1 1 288.391 2.968 20 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GKQBAMXVEHFSDM-GFCCVEGCSA-N 1 1 250.367 2.815 20 30 CFEDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000157856514 378659739 /nfs/dbraw/zinc/65/97/39/378659739.db2.gz RVSUQALIDPYVNO-HUUCEWRRSA-N 1 1 293.455 2.943 20 30 CFEDMO CC#CCC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000158113706 378664541 /nfs/dbraw/zinc/66/45/41/378664541.db2.gz ZASPPNARWZUSII-KRWDZBQOSA-N 1 1 257.377 2.733 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000331443942 378688885 /nfs/dbraw/zinc/68/88/85/378688885.db2.gz SRGLDBPRUWNFLW-ZQIUZPCESA-N 1 1 291.439 2.551 20 30 CFEDMO C=CCC[C@@H]([NH2+]Cc1nnc(C)n1C)c1ccccc1 ZINC000159958622 378740890 /nfs/dbraw/zinc/74/08/90/378740890.db2.gz LZMYILSZZZYZGP-OAHLLOKOSA-N 1 1 270.380 2.921 20 30 CFEDMO CCOCC[N@H+](CC)Cc1cc(F)ccc1C#N ZINC000160241055 378757973 /nfs/dbraw/zinc/75/79/73/378757973.db2.gz NCDNGSFNIMUNED-UHFFFAOYSA-N 1 1 250.317 2.556 20 30 CFEDMO CCOCC[N@@H+](CC)Cc1cc(F)ccc1C#N ZINC000160241055 378757982 /nfs/dbraw/zinc/75/79/82/378757982.db2.gz NCDNGSFNIMUNED-UHFFFAOYSA-N 1 1 250.317 2.556 20 30 CFEDMO C[C@@H](c1cccc(F)c1)N1CC[NH+](CCCC#N)CC1 ZINC000159483412 378712178 /nfs/dbraw/zinc/71/21/78/378712178.db2.gz ZMQKGQIUCJIZTO-AWEZNQCLSA-N 1 1 275.371 2.808 20 30 CFEDMO C[C@@H](c1cccc(F)c1)[NH+]1CCN(CCCC#N)CC1 ZINC000159483412 378712180 /nfs/dbraw/zinc/71/21/80/378712180.db2.gz ZMQKGQIUCJIZTO-AWEZNQCLSA-N 1 1 275.371 2.808 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)[C@@H]1C ZINC000332185909 378734141 /nfs/dbraw/zinc/73/41/41/378734141.db2.gz WTXKCOKDKNGIRT-VXGBXAGGSA-N 1 1 282.347 2.839 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(C#N)nc1 ZINC000160246768 378759400 /nfs/dbraw/zinc/75/94/00/378759400.db2.gz VATIJROPSZSELQ-KDOFPFPSSA-N 1 1 292.386 2.886 20 30 CFEDMO N#CCc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000333194498 378819004 /nfs/dbraw/zinc/81/90/04/378819004.db2.gz PDQCRUHMNOQPTK-JKSUJKDBSA-N 1 1 298.390 2.501 20 30 CFEDMO C=CCCC1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC000636159100 383732211 /nfs/dbraw/zinc/73/22/11/383732211.db2.gz CNBXUMFFHFGFSJ-HNNXBMFYSA-N 1 1 278.440 2.971 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCCOC1 ZINC000334209050 378928623 /nfs/dbraw/zinc/92/86/23/378928623.db2.gz XPSHQIYTGKBTBW-ZDUSSCGKSA-N 1 1 264.756 2.822 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@H]1CCCOC1 ZINC000334209050 378928628 /nfs/dbraw/zinc/92/86/28/378928628.db2.gz XPSHQIYTGKBTBW-ZDUSSCGKSA-N 1 1 264.756 2.822 20 30 CFEDMO N#Cc1ccn(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000289471196 197363759 /nfs/dbraw/zinc/36/37/59/197363759.db2.gz WYLPIIFPMKNCJK-GOSISDBHSA-N 1 1 295.386 2.651 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000278583952 194055034 /nfs/dbraw/zinc/05/50/34/194055034.db2.gz KLNMHQGDWCPPSY-HNNXBMFYSA-N 1 1 252.321 2.618 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2c2cc[nH]n2)c1 ZINC000278583952 194055037 /nfs/dbraw/zinc/05/50/37/194055037.db2.gz KLNMHQGDWCPPSY-HNNXBMFYSA-N 1 1 252.321 2.618 20 30 CFEDMO Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000163787524 378992055 /nfs/dbraw/zinc/99/20/55/378992055.db2.gz FRZBZRCQENVOES-INIZCTEOSA-N 1 1 299.418 2.717 20 30 CFEDMO Cc1ccc(-c2n[nH]cc2C[NH2+]CC(C)(C)C#N)o1 ZINC000168920745 379101250 /nfs/dbraw/zinc/10/12/50/379101250.db2.gz SZAUZVMVNZTNOL-UHFFFAOYSA-N 1 1 258.325 2.618 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc(C#N)cc1F ZINC000334343589 379126423 /nfs/dbraw/zinc/12/64/23/379126423.db2.gz RFJAGPPJUGNWMB-GXFFZTMASA-N 1 1 284.338 2.629 20 30 CFEDMO Cc1cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)ccc1C#N ZINC000335337772 379117297 /nfs/dbraw/zinc/11/72/97/379117297.db2.gz XQJZULJMKQAWSZ-SJORKVTESA-N 1 1 270.376 2.725 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000335366576 379169675 /nfs/dbraw/zinc/16/96/75/379169675.db2.gz CEOXAGXGKUAOJV-IRXDYDNUSA-N 1 1 270.376 2.949 20 30 CFEDMO CC(C)(C#N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000334372416 379179808 /nfs/dbraw/zinc/17/98/08/379179808.db2.gz YOVQROFNTJLBCO-UHFFFAOYSA-N 1 1 291.439 2.651 20 30 CFEDMO CC[C@]1(O)CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000334374184 379182416 /nfs/dbraw/zinc/18/24/16/379182416.db2.gz CRNAWSXWVGNIEL-AWEZNQCLSA-N 1 1 264.756 2.558 20 30 CFEDMO CS[C@H]1CCCC[N@H+](Cc2nc(C#N)cs2)C1 ZINC000334378759 379192249 /nfs/dbraw/zinc/19/22/49/379192249.db2.gz HKLGLLWHSZJASC-NSHDSACASA-N 1 1 267.423 2.732 20 30 CFEDMO CS[C@H]1CCCC[N@@H+](Cc2nc(C#N)cs2)C1 ZINC000334378759 379192257 /nfs/dbraw/zinc/19/22/57/379192257.db2.gz HKLGLLWHSZJASC-NSHDSACASA-N 1 1 267.423 2.732 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334381301 379195649 /nfs/dbraw/zinc/19/56/49/379195649.db2.gz JJFZHLAYVZHJLL-GOEBONIOSA-N 1 1 264.413 2.533 20 30 CFEDMO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(C)[nH+]c(CC)n1 ZINC000287889945 196963538 /nfs/dbraw/zinc/96/35/38/196963538.db2.gz UWJORVCUBLUEEH-IUODEOHRSA-N 1 1 261.369 2.741 20 30 CFEDMO C=CC[NH+](CC=C)[C@@H](CNCc1cnn(C=C)c1)C(C)C ZINC000278831545 194174974 /nfs/dbraw/zinc/17/49/74/194174974.db2.gz IUSSVSPSIZCSOU-KRWDZBQOSA-N 1 1 288.439 2.772 20 30 CFEDMO C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000171121165 379234517 /nfs/dbraw/zinc/23/45/17/379234517.db2.gz MQULPXUQICFHCO-MEDUHNTESA-N 1 1 297.333 2.575 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000335410241 379241227 /nfs/dbraw/zinc/24/12/27/379241227.db2.gz ZSNUUJCJYJKCNF-CZUORRHYSA-N 1 1 288.416 2.827 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000335410241 379241236 /nfs/dbraw/zinc/24/12/36/379241236.db2.gz ZSNUUJCJYJKCNF-CZUORRHYSA-N 1 1 288.416 2.827 20 30 CFEDMO C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000334416990 379260314 /nfs/dbraw/zinc/26/03/14/379260314.db2.gz XVJJYRJZJDHXEM-CQSZACIVSA-N 1 1 285.391 2.664 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)o1 ZINC000335422631 379268311 /nfs/dbraw/zinc/26/83/11/379268311.db2.gz GPSYTFLAJMVUDR-DOMZBBRYSA-N 1 1 260.337 2.542 20 30 CFEDMO N#C[C@H]1CC[C@H](N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000334450514 379322035 /nfs/dbraw/zinc/32/20/35/379322035.db2.gz RUNCBIMWJXDRSI-HOCLYGCPSA-N 1 1 261.413 2.629 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000334443987 379310781 /nfs/dbraw/zinc/31/07/81/379310781.db2.gz FWQNFGVQUGPOLZ-KRWDZBQOSA-N 1 1 270.376 2.949 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCc2c1cccc2C#N ZINC000335513310 379430133 /nfs/dbraw/zinc/43/01/33/379430133.db2.gz UQCFAILBVWOBMX-CQSZACIVSA-N 1 1 297.402 2.712 20 30 CFEDMO CC[C@@H](C)C[N@@H+](C)CCC(=O)Nc1sccc1C#N ZINC000171948875 379448077 /nfs/dbraw/zinc/44/80/77/379448077.db2.gz WPUAOOKFQPVBBU-LLVKDONJSA-N 1 1 279.409 2.926 20 30 CFEDMO CC1=CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000334615956 379631370 /nfs/dbraw/zinc/63/13/70/379631370.db2.gz KMZMIXXTKIQHOM-AWEZNQCLSA-N 1 1 255.321 2.787 20 30 CFEDMO CC1=CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000334615956 379631375 /nfs/dbraw/zinc/63/13/75/379631375.db2.gz KMZMIXXTKIQHOM-AWEZNQCLSA-N 1 1 255.321 2.787 20 30 CFEDMO CC(C)[C@H]1[N@@H+](Cc2cc(C#N)n(C)c2)CC12CCOCC2 ZINC000335636320 379638362 /nfs/dbraw/zinc/63/83/62/379638362.db2.gz GPYWIOJXKQMLAQ-MRXNPFEDSA-N 1 1 287.407 2.534 20 30 CFEDMO Cc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1C#N ZINC000335674226 379700762 /nfs/dbraw/zinc/70/07/62/379700762.db2.gz XHIIGHPTOWMGOA-PBHICJAKSA-N 1 1 271.408 2.639 20 30 CFEDMO Cc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1C#N ZINC000335674226 379700770 /nfs/dbraw/zinc/70/07/70/379700770.db2.gz XHIIGHPTOWMGOA-PBHICJAKSA-N 1 1 271.408 2.639 20 30 CFEDMO Cc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1C#N ZINC000335674226 379700777 /nfs/dbraw/zinc/70/07/77/379700777.db2.gz XHIIGHPTOWMGOA-PBHICJAKSA-N 1 1 271.408 2.639 20 30 CFEDMO Cc1cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1C#N ZINC000335674226 379700786 /nfs/dbraw/zinc/70/07/86/379700786.db2.gz XHIIGHPTOWMGOA-PBHICJAKSA-N 1 1 271.408 2.639 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2cccc(N3CCCC3=O)c2)o1 ZINC000174269086 379856252 /nfs/dbraw/zinc/85/62/52/379856252.db2.gz ZECQNFQUTFGYND-UHFFFAOYSA-N 1 1 295.342 2.568 20 30 CFEDMO C=C1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000264455445 383741432 /nfs/dbraw/zinc/74/14/32/383741432.db2.gz IZLZQQKPQODGRE-CQSZACIVSA-N 1 1 290.382 2.997 20 30 CFEDMO C=C(C)C(C)(C)C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000335093150 379972252 /nfs/dbraw/zinc/97/22/52/379972252.db2.gz HTSWPKDDQKYOQI-KGLIPLIRSA-N 1 1 264.413 2.674 20 30 CFEDMO C#Cc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000174786119 379939777 /nfs/dbraw/zinc/93/97/77/379939777.db2.gz XJNUQCWTLSZZHA-ALOPSCKCSA-N 1 1 297.402 2.805 20 30 CFEDMO Cc1c[nH]nc1C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000334951517 379947326 /nfs/dbraw/zinc/94/73/26/379947326.db2.gz LSEHNSVDJWLIIW-OAHLLOKOSA-N 1 1 266.348 2.757 20 30 CFEDMO Cc1oc(NC(=O)C[N@H+]2CC(C)(C)C[C@H]2C)c(C#N)c1C ZINC000335196893 379993955 /nfs/dbraw/zinc/99/39/55/379993955.db2.gz VHYDYZSFKYKHKJ-SNVBAGLBSA-N 1 1 289.379 2.827 20 30 CFEDMO Cc1oc(NC(=O)C[N@@H+]2CC(C)(C)C[C@H]2C)c(C#N)c1C ZINC000335196893 379993962 /nfs/dbraw/zinc/99/39/62/379993962.db2.gz VHYDYZSFKYKHKJ-SNVBAGLBSA-N 1 1 289.379 2.827 20 30 CFEDMO Cc1nn(C)cc1C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000335860927 380010410 /nfs/dbraw/zinc/01/04/10/380010410.db2.gz PATDQPNPBSGMBD-UHFFFAOYSA-N 1 1 292.386 2.890 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000175370738 380052883 /nfs/dbraw/zinc/05/28/83/380052883.db2.gz CKGVCAUNEFCYPY-SJCJKPOMSA-N 1 1 251.395 2.993 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1F ZINC000335235061 380055355 /nfs/dbraw/zinc/05/53/55/380055355.db2.gz KLQAFRWZKTUUSS-OAHLLOKOSA-N 1 1 274.339 2.577 20 30 CFEDMO C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(C#N)cc1F ZINC000336002515 380221639 /nfs/dbraw/zinc/22/16/39/380221639.db2.gz IJMRVWRYEGXKIG-ZYHUDNBSSA-N 1 1 284.338 2.629 20 30 CFEDMO Cc1cnn([C@@H]2CC[N@H+](Cc3cccc(C#N)c3F)C2)c1 ZINC000336006669 380227544 /nfs/dbraw/zinc/22/75/44/380227544.db2.gz 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VUSLQHZRRGHZEY-IUKJFTNHSA-N 1 1 286.350 2.553 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000368530021 381055675 /nfs/dbraw/zinc/05/56/75/381055675.db2.gz HUCQTACCKAANQW-YLFCFFPRSA-N 1 1 281.440 2.719 20 30 CFEDMO Cc1cc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc(C#N)n1 ZINC000341526435 381068003 /nfs/dbraw/zinc/06/80/03/381068003.db2.gz MNSFPOLEDWEUMZ-OCCSQVGLSA-N 1 1 272.396 2.794 20 30 CFEDMO C[C@H](CNc1nccc(C#N)c1Cl)[N@H+]1CCCC[C@@H]1C ZINC000341533860 381070104 /nfs/dbraw/zinc/07/01/04/381070104.db2.gz OGPVDVRDLKIEPV-NWDGAFQWSA-N 1 1 292.814 2.703 20 30 CFEDMO C[C@H](C[S@@](C)=O)[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411511236 381032769 /nfs/dbraw/zinc/03/27/69/381032769.db2.gz IHEUGLICJHDVMM-FZKQIMNGSA-N 1 1 270.442 2.549 20 30 CFEDMO C=C(C)C[N@@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182232763 381035068 /nfs/dbraw/zinc/03/50/68/381035068.db2.gz LEVMKKUPSKXRLI-UHFFFAOYSA-N 1 1 250.308 2.521 20 30 CFEDMO C=C(C)C[N@H+]1CCN(CC(F)(F)F)CC1(C)C ZINC000182232763 381035077 /nfs/dbraw/zinc/03/50/77/381035077.db2.gz LEVMKKUPSKXRLI-UHFFFAOYSA-N 1 1 250.308 2.521 20 30 CFEDMO CCCCNC(=O)CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000341476406 381036573 /nfs/dbraw/zinc/03/65/73/381036573.db2.gz CJYKBRCAHYBWJJ-UHFFFAOYSA-N 1 1 299.418 2.829 20 30 CFEDMO CC#CCC[N@@H+]1Cc2ccc(OC)cc2C2(CC2)C1 ZINC000289549263 381038437 /nfs/dbraw/zinc/03/84/37/381038437.db2.gz MZKFTYICFXRZAO-UHFFFAOYSA-N 1 1 255.361 2.956 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+](C)CCC(F)(F)F ZINC000347268885 381039659 /nfs/dbraw/zinc/03/96/59/381039659.db2.gz VBNRDKDAYLTBPV-UHFFFAOYSA-N 1 1 272.270 2.951 20 30 CFEDMO COc1cc(C#N)ccc1C[N@@H+](C)CCC(F)(F)F ZINC000347268885 381039667 /nfs/dbraw/zinc/03/96/67/381039667.db2.gz VBNRDKDAYLTBPV-UHFFFAOYSA-N 1 1 272.270 2.951 20 30 CFEDMO CC[N@@H+](CCOC)Cc1ccc(C#N)cc1OC(F)F ZINC000347339903 381082493 /nfs/dbraw/zinc/08/24/93/381082493.db2.gz NUNINYRXGBTAGY-UHFFFAOYSA-N 1 1 284.306 2.628 20 30 CFEDMO C=C(CC)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000358818672 381104471 /nfs/dbraw/zinc/10/44/71/381104471.db2.gz PDMHWBDZIKVYOI-ZDUSSCGKSA-N 1 1 260.385 2.828 20 30 CFEDMO C=C(CC)C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000358818672 381104478 /nfs/dbraw/zinc/10/44/78/381104478.db2.gz PDMHWBDZIKVYOI-ZDUSSCGKSA-N 1 1 260.385 2.828 20 30 CFEDMO C=C(CC)C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000358818672 381104487 /nfs/dbraw/zinc/10/44/87/381104487.db2.gz PDMHWBDZIKVYOI-ZDUSSCGKSA-N 1 1 260.385 2.828 20 30 CFEDMO COc1ccc(C[N@H+]2CCOCC3(CCC3)C2)cc1C#N ZINC000368834518 381144770 /nfs/dbraw/zinc/14/47/70/381144770.db2.gz MVKBGUPNEQSNLX-UHFFFAOYSA-N 1 1 286.375 2.569 20 30 CFEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)C[C@@H]1C ZINC000354224883 381149007 /nfs/dbraw/zinc/14/90/07/381149007.db2.gz UKCDKJSQDFKPAF-OLZOCXBDSA-N 1 1 274.364 2.676 20 30 CFEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H](C)C[C@H]1C ZINC000354224882 381149496 /nfs/dbraw/zinc/14/94/96/381149496.db2.gz UKCDKJSQDFKPAF-CHWSQXEVSA-N 1 1 274.364 2.676 20 30 CFEDMO Cc1cc(C[NH2+]Cc2ccc(C#N)o2)cc(N2CCCC2)n1 ZINC000289784248 381155117 /nfs/dbraw/zinc/15/51/17/381155117.db2.gz KTRFGIKZIFVFNR-UHFFFAOYSA-N 1 1 296.374 2.745 20 30 CFEDMO C[C@@H]1CC(C)(C)C[N@H+]1[C@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000412050516 381131904 /nfs/dbraw/zinc/13/19/04/381131904.db2.gz YOXOACGNDLPDKR-CJNGLKHVSA-N 1 1 297.402 2.784 20 30 CFEDMO CCOC(=O)C[C@H](C)[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000182664279 381133572 /nfs/dbraw/zinc/13/35/72/381133572.db2.gz DWNARVHRXLVBRK-ZDUSSCGKSA-N 1 1 293.794 2.965 20 30 CFEDMO C=CC[C@H]1N(C(=O)[C@H]2CCC[N@@H+]2C)CCCC1(C)C ZINC000347474306 381174566 /nfs/dbraw/zinc/17/45/66/381174566.db2.gz VRRGIMDTVZITIU-ZIAGYGMSSA-N 1 1 264.413 2.674 20 30 CFEDMO C=CCCCCNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000354287059 381185121 /nfs/dbraw/zinc/18/51/21/381185121.db2.gz STMKUOOLAPGBRJ-OAHLLOKOSA-N 1 1 286.419 2.906 20 30 CFEDMO C=CCCCCNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000354287059 381185127 /nfs/dbraw/zinc/18/51/27/381185127.db2.gz STMKUOOLAPGBRJ-OAHLLOKOSA-N 1 1 286.419 2.906 20 30 CFEDMO C=C[C@H](CO)[NH2+]Cc1ccc(Cl)cc1Br ZINC000289891111 381204903 /nfs/dbraw/zinc/20/49/03/381204903.db2.gz QJMGVEFAKVRBJC-SNVBAGLBSA-N 1 1 290.588 2.739 20 30 CFEDMO C=C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1Br ZINC000289893629 381205383 /nfs/dbraw/zinc/20/53/83/381205383.db2.gz QLXACKKHCUVGSP-SNVBAGLBSA-N 1 1 290.588 2.739 20 30 CFEDMO N#CC1(CCC[N@@H+]2CCCCC[C@H]2CCO)CCOCC1 ZINC000342063891 381208080 /nfs/dbraw/zinc/20/80/80/381208080.db2.gz PHWKWPXMTJRTCE-INIZCTEOSA-N 1 1 294.439 2.714 20 30 CFEDMO COc1cc([C@H](C)[NH2+]Cc2cc(C#N)ccc2F)ccn1 ZINC000347540177 381210212 /nfs/dbraw/zinc/21/02/12/381210212.db2.gz MSMQIMPYJJDSNN-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)c2ncc(C#N)cc2Cl)C[C@H]1C ZINC000354351506 381219401 /nfs/dbraw/zinc/21/94/01/381219401.db2.gz CCVLGHALPHQMGC-DGCLKSJQSA-N 1 1 292.814 2.916 20 30 CFEDMO N#Cc1ccc(F)c(C[N@H+]2CCCO[C@H]3CCC[C@H]32)c1 ZINC000369466125 381266241 /nfs/dbraw/zinc/26/62/41/381266241.db2.gz JEMOEYLLTHYUMW-CVEARBPZSA-N 1 1 274.339 2.841 20 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RQGBEYUEJXFCTM-UHFFFAOYSA-N 1 1 282.391 2.595 20 30 CFEDMO C=CC[C@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000342471101 381349350 /nfs/dbraw/zinc/34/93/50/381349350.db2.gz BBBZFJQLZJZXRH-GJZGRUSLSA-N 1 1 281.444 2.905 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@H](CC)c2nccn2C)cc1 ZINC000296384175 381371554 /nfs/dbraw/zinc/37/15/54/381371554.db2.gz JSLORKUTYJLAMG-MRXNPFEDSA-N 1 1 283.375 2.673 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000354699979 381408595 /nfs/dbraw/zinc/40/85/95/381408595.db2.gz GUXSQPCTOJCFEE-ZBFHGGJFSA-N 1 1 262.397 2.960 20 30 CFEDMO CC(C)COC[C@H]([NH2+]CCCC#N)c1ccco1 ZINC000184179758 381382730 /nfs/dbraw/zinc/38/27/30/381382730.db2.gz KFLFFMCAADWHDZ-ZDUSSCGKSA-N 1 1 250.342 2.887 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000184249475 381393491 /nfs/dbraw/zinc/39/34/91/381393491.db2.gz NUWWSVIYOIMTLI-STQMWFEESA-N 1 1 293.436 2.691 20 30 CFEDMO C[N@H+](Cc1ncc(-c2ccc(C#N)cc2)o1)C[C@@H]1CCOC1 ZINC000370167908 381397956 /nfs/dbraw/zinc/39/79/56/381397956.db2.gz WLWSFYHMVASERG-AWEZNQCLSA-N 1 1 297.358 2.682 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000296452732 381400979 /nfs/dbraw/zinc/40/09/79/381400979.db2.gz MUNDBOUFCVXJRA-RLFYNMQTSA-N 1 1 286.419 2.517 20 30 CFEDMO C#CCOc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000296452732 381400986 /nfs/dbraw/zinc/40/09/86/381400986.db2.gz MUNDBOUFCVXJRA-RLFYNMQTSA-N 1 1 286.419 2.517 20 30 CFEDMO C#CCOc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000296452732 381400995 /nfs/dbraw/zinc/40/09/95/381400995.db2.gz MUNDBOUFCVXJRA-RLFYNMQTSA-N 1 1 286.419 2.517 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000296452732 381401001 /nfs/dbraw/zinc/40/10/01/381401001.db2.gz MUNDBOUFCVXJRA-RLFYNMQTSA-N 1 1 286.419 2.517 20 30 CFEDMO COC[C@@H]1CCCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000342596610 381422622 /nfs/dbraw/zinc/42/26/22/381422622.db2.gz WSOTUXXDUXALQJ-MRXNPFEDSA-N 1 1 258.365 2.807 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(c2cnccc2C#N)C1 ZINC000359468334 381424101 /nfs/dbraw/zinc/42/41/01/381424101.db2.gz UWJMVYZYWIBMAR-IJEWVQPXSA-N 1 1 284.407 2.795 20 30 CFEDMO Cc1nc(C2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)n[nH]1 ZINC000370377621 381437915 /nfs/dbraw/zinc/43/79/15/381437915.db2.gz SZWKSXOOAKSODQ-GFCCVEGCSA-N 1 1 295.390 2.925 20 30 CFEDMO Cc1nnc(C2CC[NH+]([C@H](C)c3ccc(C#N)cc3)CC2)[nH]1 ZINC000370377621 381437921 /nfs/dbraw/zinc/43/79/21/381437921.db2.gz SZWKSXOOAKSODQ-GFCCVEGCSA-N 1 1 295.390 2.925 20 30 CFEDMO Cc1c([C@H](C)[NH2+]Cc2cccc(C#N)c2F)cnn1C ZINC000347991186 381448435 /nfs/dbraw/zinc/44/84/35/381448435.db2.gz BREORNPPWJITNP-JTQLQIEISA-N 1 1 272.327 2.590 20 30 CFEDMO C[C@H](CNc1cccnc1C#N)[N@H+]1CCc2sccc2C1 ZINC000290540336 381471796 /nfs/dbraw/zinc/47/17/96/381471796.db2.gz PFRRIMYWFRZZON-GFCCVEGCSA-N 1 1 298.415 2.873 20 30 CFEDMO C=C(C)C[N@H+](CC(=O)Nc1ccncc1)Cc1ccccc1 ZINC000348235850 381474234 /nfs/dbraw/zinc/47/42/34/381474234.db2.gz UJDGTHJCOQYKLM-UHFFFAOYSA-N 1 1 295.386 2.520 20 30 CFEDMO C=C(C)C[N@@H+](CC(=O)Nc1ccncc1)Cc1ccccc1 ZINC000348235850 381474241 /nfs/dbraw/zinc/47/42/41/381474241.db2.gz UJDGTHJCOQYKLM-UHFFFAOYSA-N 1 1 295.386 2.520 20 30 CFEDMO C=C(C)C[N@@H+](CCCNC(C)=O)Cc1ccccc1 ZINC000348223411 381474706 /nfs/dbraw/zinc/47/47/06/381474706.db2.gz GYBKLUJFUXFGOX-UHFFFAOYSA-N 1 1 260.381 2.591 20 30 CFEDMO N#Cc1ccc(C2=CC[N@H+](C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000359582254 381485313 /nfs/dbraw/zinc/48/53/13/381485313.db2.gz NXMKHTNHGCKHAO-AWEZNQCLSA-N 1 1 296.292 2.571 20 30 CFEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H](O)C(F)(F)F)CC2)cc1 ZINC000359582254 381485317 /nfs/dbraw/zinc/48/53/17/381485317.db2.gz NXMKHTNHGCKHAO-AWEZNQCLSA-N 1 1 296.292 2.571 20 30 CFEDMO C=CCOCCC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000348050306 381455888 /nfs/dbraw/zinc/45/58/88/381455888.db2.gz MBBPKFPGNUCWEH-UHFFFAOYSA-N 1 1 299.418 2.956 20 30 CFEDMO C=CCOCCC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000348050306 381455896 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ZINC000364241103 262189854 /nfs/dbraw/zinc/18/98/54/262189854.db2.gz ZHZNKMVCNPYZBN-UHFFFAOYSA-N 1 1 280.412 2.588 20 30 CFEDMO CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)C(C)(C)C#N)C1 ZINC000364368399 262219465 /nfs/dbraw/zinc/21/94/65/262219465.db2.gz RGYJMDKFZRFNIX-ZDUSSCGKSA-N 1 1 288.395 2.720 20 30 CFEDMO C=CC1CC[NH+](CC(=O)Nc2nc(CC)c(C)s2)CC1 ZINC000111258051 262257995 /nfs/dbraw/zinc/25/79/95/262257995.db2.gz PKUJOCXGERMRCZ-UHFFFAOYSA-N 1 1 293.436 2.850 20 30 CFEDMO C=CC1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000111257296 262258374 /nfs/dbraw/zinc/25/83/74/262258374.db2.gz FVWZZGXGZFKLDW-UHFFFAOYSA-N 1 1 262.328 2.662 20 30 CFEDMO CC[C@H](CC#N)[NH2+]C1CCN(Cc2cccs2)CC1 ZINC000364860397 262263309 /nfs/dbraw/zinc/26/33/09/262263309.db2.gz WXOXWMJBKDKLQN-CYBMUJFWSA-N 1 1 277.437 2.994 20 30 CFEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000364880368 262263786 /nfs/dbraw/zinc/26/37/86/262263786.db2.gz KWKQWZQVURPEGF-AWEZNQCLSA-N 1 1 290.382 2.697 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)N(CC)Cc1ccccc1 ZINC000121096002 262267593 /nfs/dbraw/zinc/26/75/93/262267593.db2.gz SHVGEGAXWGSNBX-UHFFFAOYSA-N 1 1 274.408 2.933 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000354031153 262283275 /nfs/dbraw/zinc/28/32/75/262283275.db2.gz DNQDDBCCFPZSAO-CABCVRRESA-N 1 1 278.440 2.944 20 30 CFEDMO C=CC1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000111632057 262354048 /nfs/dbraw/zinc/35/40/48/262354048.db2.gz FICZOXWKTIHLII-OAHLLOKOSA-N 1 1 298.430 2.858 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000365269444 262356859 /nfs/dbraw/zinc/35/68/59/262356859.db2.gz QTXMDXCXMRRLFM-QGZVFWFLSA-N 1 1 277.371 2.708 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 ZINC000117875675 262358740 /nfs/dbraw/zinc/35/87/40/262358740.db2.gz DZTXUPJEBSQIOK-LSDHHAIUSA-N 1 1 266.429 2.969 20 30 CFEDMO C=CCCC[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000117883112 262359695 /nfs/dbraw/zinc/35/96/95/262359695.db2.gz 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C=CCCC[N@H+](C)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411281762 262686651 /nfs/dbraw/zinc/68/66/51/262686651.db2.gz BDTIXMLCKIXYMN-HNNXBMFYSA-N 1 1 276.355 2.829 20 30 CFEDMO CCc1cnc(N2CC[NH+]([C@H](C)CCC#N)CC2)s1 ZINC000411293576 262687108 /nfs/dbraw/zinc/68/71/08/262687108.db2.gz LPAOPHXVRXAJMB-GFCCVEGCSA-N 1 1 278.425 2.520 20 30 CFEDMO N#CC1(CC[N@@H+]2CCC[C@](F)(CO)C2)CCCCC1 ZINC000411730478 262705284 /nfs/dbraw/zinc/70/52/84/262705284.db2.gz OHVHACISKBUGAO-OAHLLOKOSA-N 1 1 268.376 2.647 20 30 CFEDMO COC[C@@H]1CC[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000269020181 262964386 /nfs/dbraw/zinc/96/43/86/262964386.db2.gz YPXFFKQUQYFZEY-CQSZACIVSA-N 1 1 272.392 2.956 20 30 CFEDMO COC(=O)c1cc(C[NH+]2CCC(C)(C#N)CC2)oc1C ZINC000272558528 263006766 /nfs/dbraw/zinc/00/67/66/263006766.db2.gz LNSHJXBLYVMUSS-UHFFFAOYSA-N 1 1 276.336 2.500 20 30 CFEDMO CC1(C#N)CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000272575663 263007070 /nfs/dbraw/zinc/00/70/70/263007070.db2.gz NOGZRTVDPAJTJN-INIZCTEOSA-N 1 1 297.402 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/nfs/dbraw/zinc/04/87/71/263048771.db2.gz IEFBFCGXZDKXBH-ZIAGYGMSSA-N 1 1 298.365 2.512 20 30 CFEDMO C=CCOc1ccccc1CN1CC[N@H+](C)CC[C@H]1C ZINC000353434493 263049371 /nfs/dbraw/zinc/04/93/71/263049371.db2.gz JJOFWYTWGIWUFP-OAHLLOKOSA-N 1 1 274.408 2.777 20 30 CFEDMO C=CCOc1ccccc1C[N@H+]1CCN(C)CC[C@H]1C ZINC000353434493 263049372 /nfs/dbraw/zinc/04/93/72/263049372.db2.gz JJOFWYTWGIWUFP-OAHLLOKOSA-N 1 1 274.408 2.777 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CCN(C)CC[C@H]1C ZINC000353434493 263049373 /nfs/dbraw/zinc/04/93/73/263049373.db2.gz JJOFWYTWGIWUFP-OAHLLOKOSA-N 1 1 274.408 2.777 20 30 CFEDMO Cc1ccccc1OCC[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000278672341 263049656 /nfs/dbraw/zinc/04/96/56/263049656.db2.gz RBPWDSDRQVGPCS-CABCVRRESA-N 1 1 258.365 2.998 20 30 CFEDMO C=CCOc1ccc(C[NH2+][C@H](CN)C2CC2)cc1Cl ZINC000414813028 263053293 /nfs/dbraw/zinc/05/32/93/263053293.db2.gz YCEIYCOYWGZNKD-CQSZACIVSA-N 1 1 280.799 2.732 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)C[C@H](C2CC2)O1 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CC(C)(C)OC(=O)CC[C@H]1CCCC[N@@H+]1CCC#N ZINC000425475800 264347623 /nfs/dbraw/zinc/34/76/23/264347623.db2.gz LYWZXWOZLYRAMB-CYBMUJFWSA-N 1 1 266.385 2.876 20 30 CFEDMO CC(C)(C)OC(=O)CC[C@H]1CCCC[N@H+]1CCC#N ZINC000425475800 264347625 /nfs/dbraw/zinc/34/76/25/264347625.db2.gz LYWZXWOZLYRAMB-CYBMUJFWSA-N 1 1 266.385 2.876 20 30 CFEDMO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1nnc2ccccn21 ZINC000093492216 265181299 /nfs/dbraw/zinc/18/12/99/265181299.db2.gz LWYJTGOFEHDLHA-SNVBAGLBSA-N 1 1 283.360 2.513 20 30 CFEDMO CC(C)C[C@@H](CNCc1cc(C#N)cs1)[NH+](C)C ZINC000093492300 265184144 /nfs/dbraw/zinc/18/41/44/265184144.db2.gz UGPVREBFNSHRLE-ZDUSSCGKSA-N 1 1 265.426 2.686 20 30 CFEDMO N#CCC[NH2+]C[C@@H](Cc1ccccc1)C(F)(F)F ZINC000514597369 266011931 /nfs/dbraw/zinc/01/19/31/266011931.db2.gz MLCGQGOBLJXKTH-GFCCVEGCSA-N 1 1 256.271 2.911 20 30 CFEDMO C=CCCC1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000356194289 266068726 /nfs/dbraw/zinc/06/87/26/266068726.db2.gz QWNZNGNCYDVBAE-GOOCMWNKSA-N 1 1 276.424 2.864 20 30 CFEDMO C=CCCC1(C(=O)Nc2cc[nH+]c(N(C)C)c2)CC1 ZINC000356304681 266092994 /nfs/dbraw/zinc/09/29/94/266092994.db2.gz ODZANNBOBPJLSK-UHFFFAOYSA-N 1 1 259.353 2.833 20 30 CFEDMO C[C@@H]1[C@H](NC(=O)C[C@H](CC#N)c2ccccc2)CCC[N@H+]1C ZINC000356737080 266166904 /nfs/dbraw/zinc/16/69/04/266166904.db2.gz LJHIWOFQWZWXGA-HYVNUMGLSA-N 1 1 299.418 2.673 20 30 CFEDMO CC[C@@H]1C[C@@H](C[N@@H+](C[C@H](C)C#N)C2CC2)CCO1 ZINC000356976246 266222806 /nfs/dbraw/zinc/22/28/06/266222806.db2.gz CJJUXOTVGGGDHC-VNHYZAJKSA-N 1 1 250.386 2.816 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1CC ZINC000357557157 266323627 /nfs/dbraw/zinc/32/36/27/266323627.db2.gz YPGFYEWNPFIARX-KGLIPLIRSA-N 1 1 252.402 2.674 20 30 CFEDMO C=CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C1CC1 ZINC000357553967 266323899 /nfs/dbraw/zinc/32/38/99/266323899.db2.gz QQOJYSNXRZULMA-UHFFFAOYSA-N 1 1 296.317 2.877 20 30 CFEDMO C=CC[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)C1CC1 ZINC000357553967 266323901 /nfs/dbraw/zinc/32/39/01/266323901.db2.gz QQOJYSNXRZULMA-UHFFFAOYSA-N 1 1 296.317 2.877 20 30 CFEDMO C=CC[N@@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C1CC1 ZINC000357554692 266324041 /nfs/dbraw/zinc/32/40/41/266324041.db2.gz RVXJSSQMPLHFFE-KCQAQPDRSA-N 1 1 264.413 2.578 20 30 CFEDMO C=CC[N@H+](CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C1CC1 ZINC000357554692 266324044 /nfs/dbraw/zinc/32/40/44/266324044.db2.gz RVXJSSQMPLHFFE-KCQAQPDRSA-N 1 1 264.413 2.578 20 30 CFEDMO CC#CC[NH+]1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000357677683 266345055 /nfs/dbraw/zinc/34/50/55/266345055.db2.gz WNRBWBUTHWHDQI-UHFFFAOYSA-N 1 1 280.774 2.620 20 30 CFEDMO CC[C@@H](C)NC(=O)C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000194989084 266359455 /nfs/dbraw/zinc/35/94/55/266359455.db2.gz QSBFILSZUDHPKU-CQSZACIVSA-N 1 1 287.407 2.683 20 30 CFEDMO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@H+](CC)CCC ZINC000357790212 266362842 /nfs/dbraw/zinc/36/28/42/266362842.db2.gz ADLSMXVLCGYJHY-ZDUSSCGKSA-N 1 1 254.418 2.825 20 30 CFEDMO C=C(CC)C[NH+]1CCN(C(=O)c2ccc(CC)cc2)CC1 ZINC000358516178 266472832 /nfs/dbraw/zinc/47/28/32/266472832.db2.gz YOHPAILLFZNRHP-UHFFFAOYSA-N 1 1 286.419 2.973 20 30 CFEDMO CN(C)CCC[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000360824060 266494113 /nfs/dbraw/zinc/49/41/13/266494113.db2.gz YAWIQNCGGNTQSX-KRWDZBQOSA-N 1 1 271.408 2.867 20 30 CFEDMO C[NH+](C)CCCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000360824060 266494116 /nfs/dbraw/zinc/49/41/16/266494116.db2.gz YAWIQNCGGNTQSX-KRWDZBQOSA-N 1 1 271.408 2.867 20 30 CFEDMO COCC[N@@H+](CCCCC#N)C[C@H]1CC=CCC1 ZINC000362243981 266950615 /nfs/dbraw/zinc/95/06/15/266950615.db2.gz HLERZBNEMIJKPR-HNNXBMFYSA-N 1 1 250.386 2.985 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362584877 267011310 /nfs/dbraw/zinc/01/13/10/267011310.db2.gz ZLQMHMVGNKZJFP-ZBFHGGJFSA-N 1 1 267.413 2.859 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362584874 267011450 /nfs/dbraw/zinc/01/14/50/267011450.db2.gz ZLQMHMVGNKZJFP-GDBMZVCRSA-N 1 1 267.413 2.859 20 30 CFEDMO CCC[N@H+](Cc1ccc(C#N)cn1)C[C@H]1CCCCO1 ZINC000519612896 267015622 /nfs/dbraw/zinc/01/56/22/267015622.db2.gz XVPPIZNXMORANY-MRXNPFEDSA-N 1 1 273.380 2.734 20 30 CFEDMO C[C@@H]1CN(c2cnccc2C#N)CC[N@H+]1Cc1ccccc1 ZINC000396370837 267063091 /nfs/dbraw/zinc/06/30/91/267063091.db2.gz DMARPCDXVJMIRZ-OAHLLOKOSA-N 1 1 292.386 2.664 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)CC ZINC000363110485 267075406 /nfs/dbraw/zinc/07/54/06/267075406.db2.gz JMQHBWZJCHVPJE-QWHCGFSZSA-N 1 1 270.804 2.604 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[NH+]1CCC(=Cc2ccccc2)CC1 ZINC000363157539 267077253 /nfs/dbraw/zinc/07/72/53/267077253.db2.gz JDTXKIRPRUTTRL-OAHLLOKOSA-N 1 1 284.403 2.857 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C)n1 ZINC000363233748 267081298 /nfs/dbraw/zinc/08/12/98/267081298.db2.gz AXFFGYKFNMEUBS-AWEZNQCLSA-N 1 1 273.380 2.759 20 30 CFEDMO CC#CC[N@@H+]1CC=C(c2ccc(OC)c(OC)c2)CC1 ZINC000367523313 267096255 /nfs/dbraw/zinc/09/62/55/267096255.db2.gz ATMLWXDFNJXATP-UHFFFAOYSA-N 1 1 271.360 2.816 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000115571548 267099700 /nfs/dbraw/zinc/09/97/00/267099700.db2.gz LXGLSXWBPVBTST-OAHLLOKOSA-N 1 1 258.365 2.690 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCOCC[C@H]2C)cc1 ZINC000367706077 267110719 /nfs/dbraw/zinc/11/07/19/267110719.db2.gz NHENXCGMOHMLJN-OAHLLOKOSA-N 1 1 273.376 2.700 20 30 CFEDMO C#Cc1ccc(C[NH+]2CCN(c3ccc(F)cn3)CC2)cc1 ZINC000367730483 267113593 /nfs/dbraw/zinc/11/35/93/267113593.db2.gz VUJBAFWMDMTKCH-UHFFFAOYSA-N 1 1 295.361 2.524 20 30 CFEDMO COC(=O)[C@]12CCC[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C2 ZINC000367792519 267118239 /nfs/dbraw/zinc/11/82/39/267118239.db2.gz HFWURPVFKSFOHT-CJNGLKHVSA-N 1 1 278.396 2.591 20 30 CFEDMO C=CC[C@H](CC)Nc1cccc(-n2cc[nH+]c2C)n1 ZINC000368171765 267150832 /nfs/dbraw/zinc/15/08/32/267150832.db2.gz USDGHVCTLATLKN-ZDUSSCGKSA-N 1 1 256.353 2.764 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000117877379 267223878 /nfs/dbraw/zinc/22/38/78/267223878.db2.gz DFAUWHSLZQLOMY-AWEZNQCLSA-N 1 1 252.402 2.581 20 30 CFEDMO C=CCN(C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)C1CC1 ZINC000368584076 267189030 /nfs/dbraw/zinc/18/90/30/267189030.db2.gz RXQAIGKTLZGMJV-UHFFFAOYSA-N 1 1 299.418 2.783 20 30 CFEDMO CCCCCCCC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368590919 267190050 /nfs/dbraw/zinc/19/00/50/267190050.db2.gz LNPVYBNBWRYNMX-LSDHHAIUSA-N 1 1 266.429 2.900 20 30 CFEDMO C=CC1CC[NH+]([C@H](C(=O)OC)c2ccccc2)CC1 ZINC000117882299 267224246 /nfs/dbraw/zinc/22/42/46/267224246.db2.gz XYVWOJZLRSYNQG-HNNXBMFYSA-N 1 1 259.349 2.799 20 30 CFEDMO C=CCCC(=O)N1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000369474172 267243699 /nfs/dbraw/zinc/24/36/99/267243699.db2.gz VMABHJCAPLNMMG-UHFFFAOYSA-N 1 1 273.380 2.759 20 30 CFEDMO CC[C@H]1C[N@@H+](CCCCC(C)(C)C#N)C[C@]2(CCOC2)O1 ZINC000369530459 267249601 /nfs/dbraw/zinc/24/96/01/267249601.db2.gz HELJGMUFUFDZFP-RDJZCZTQSA-N 1 1 294.439 2.976 20 30 CFEDMO C=CCCC[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000369553017 267249865 /nfs/dbraw/zinc/24/98/65/267249865.db2.gz SYFHGRAOQPJTBI-HNNXBMFYSA-N 1 1 253.386 2.613 20 30 CFEDMO C=CCCCCCN1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000369675498 267259908 /nfs/dbraw/zinc/25/99/08/267259908.db2.gz GKNJYDZQSHLZLG-MRXNPFEDSA-N 1 1 280.456 2.918 20 30 CFEDMO C=CCCCCC[N@H+]1CCN(C2CCOCC2)C[C@H]1C ZINC000369675498 267259911 /nfs/dbraw/zinc/25/99/11/267259911.db2.gz GKNJYDZQSHLZLG-MRXNPFEDSA-N 1 1 280.456 2.918 20 30 CFEDMO C=CCCCCC[N@@H+]1CCN(C2CCOCC2)C[C@H]1C ZINC000369675498 267259912 /nfs/dbraw/zinc/25/99/12/267259912.db2.gz GKNJYDZQSHLZLG-MRXNPFEDSA-N 1 1 280.456 2.918 20 30 CFEDMO CCn1ncc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n1 ZINC000527924091 267263490 /nfs/dbraw/zinc/26/34/90/267263490.db2.gz OWDYMBMUZHXGIY-QGZVFWFLSA-N 1 1 295.390 2.727 20 30 CFEDMO COC[C@@H]1CCCC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000369948974 267278191 /nfs/dbraw/zinc/27/81/91/267278191.db2.gz SPKDUQFYMDWAGH-MRXNPFEDSA-N 1 1 275.367 2.926 20 30 CFEDMO N#CC1(c2ccccn2)CC[NH+](Cc2cccc(O)c2)CC1 ZINC000370299951 267308081 /nfs/dbraw/zinc/30/80/81/267308081.db2.gz VPMOCCDQPPEFKG-UHFFFAOYSA-N 1 1 293.370 2.845 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cn1)[C@@H]1CCc2ccccc2C1 ZINC000516935400 267314643 /nfs/dbraw/zinc/31/46/43/267314643.db2.gz XCTQUTICXQEKIG-GOSISDBHSA-N 1 1 277.371 2.943 20 30 CFEDMO C#CCCCC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000370623264 267332344 /nfs/dbraw/zinc/33/23/44/267332344.db2.gz WWCPMHWSUADMQM-MRXNPFEDSA-N 1 1 276.424 2.703 20 30 CFEDMO C#CCCCC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000370623263 267332671 /nfs/dbraw/zinc/33/26/71/267332671.db2.gz WWCPMHWSUADMQM-INIZCTEOSA-N 1 1 276.424 2.703 20 30 CFEDMO C#CCOc1ccc([C@H](C)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000370670711 267337794 /nfs/dbraw/zinc/33/77/94/267337794.db2.gz GMOBMLXXFFITFI-CGTJXYLNSA-N 1 1 298.430 2.976 20 30 CFEDMO C#CCOc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000370670711 267337798 /nfs/dbraw/zinc/33/77/98/267337798.db2.gz GMOBMLXXFFITFI-CGTJXYLNSA-N 1 1 298.430 2.976 20 30 CFEDMO CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1(C#N)CCCCC1 ZINC000371057758 267348521 /nfs/dbraw/zinc/34/85/21/267348521.db2.gz XMVMEEQFSNRUPY-LSDHHAIUSA-N 1 1 289.423 2.546 20 30 CFEDMO C=CCc1cc(C[N@H+](C)CCCCOC)cc(OC)c1O ZINC000418132940 267359806 /nfs/dbraw/zinc/35/98/06/267359806.db2.gz JWOZSPVJNCUJSS-UHFFFAOYSA-N 1 1 293.407 2.988 20 30 CFEDMO N#CC1(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)CCC1 ZINC000418142353 267363181 /nfs/dbraw/zinc/36/31/81/267363181.db2.gz MYTLOPXVWQWOIT-UHFFFAOYSA-N 1 1 284.338 2.999 20 30 CFEDMO COc1ccc(C[NH2+]CC2(C#N)CCC2)c(C)c1OC ZINC000418144321 267365580 /nfs/dbraw/zinc/36/55/80/267365580.db2.gz SPYKHJXMSKNCGX-UHFFFAOYSA-N 1 1 274.364 2.796 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCC1(C#N)CCC1 ZINC000418135384 267367745 /nfs/dbraw/zinc/36/77/45/267367745.db2.gz AONDFZSUKTXVQD-WBVHZDCISA-N 1 1 283.419 2.790 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC1(C#N)CCC1 ZINC000418135384 267367749 /nfs/dbraw/zinc/36/77/49/267367749.db2.gz AONDFZSUKTXVQD-WBVHZDCISA-N 1 1 283.419 2.790 20 30 CFEDMO C=CCN(Cc1cc[nH]n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000371371999 267395195 /nfs/dbraw/zinc/39/51/95/267395195.db2.gz DWZRBCJZDALJAS-SFHVURJKSA-N 1 1 296.418 2.672 20 30 CFEDMO C#CCCCC(=O)N1CC[NH2+][C@H](c2ccc(CC)cc2)C1 ZINC000374333828 267781634 /nfs/dbraw/zinc/78/16/34/267781634.db2.gz TZKLEDAUVUXBBL-KRWDZBQOSA-N 1 1 284.403 2.525 20 30 CFEDMO CC(C)[N@@H+]1CC[C@H](NCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000374823679 267816387 /nfs/dbraw/zinc/81/63/87/267816387.db2.gz LOGRGWLJDAUPNU-LSDHHAIUSA-N 1 1 279.334 2.602 20 30 CFEDMO CC(C)[N@H+]1CC[C@H](NCC#N)[C@H]1c1ccc(F)c(F)c1 ZINC000374823679 267816391 /nfs/dbraw/zinc/81/63/91/267816391.db2.gz LOGRGWLJDAUPNU-LSDHHAIUSA-N 1 1 279.334 2.602 20 30 CFEDMO CC(C)[N@@H+]1CCc2nc(CN(C)C[C@H](C)C#N)sc2C1 ZINC000376353798 267964989 /nfs/dbraw/zinc/96/49/89/267964989.db2.gz QVLMSBHUPJYATC-GFCCVEGCSA-N 1 1 292.452 2.501 20 30 CFEDMO C#CCC(CC#C)C(=O)Nc1cccc2c1CC[N@H+](CC)C2 ZINC000376871838 268026494 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ZINC000192116259 270228847 /nfs/dbraw/zinc/22/88/47/270228847.db2.gz YQGFDAZYLRXXMF-SFHVURJKSA-N 1 1 296.345 2.789 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCc3ccccc3[C@@H]2CO)cc1F ZINC000192116259 270228849 /nfs/dbraw/zinc/22/88/49/270228849.db2.gz YQGFDAZYLRXXMF-SFHVURJKSA-N 1 1 296.345 2.789 20 30 CFEDMO N#Cc1ccc(C2([NH2+]Cc3cscn3)CCOCC2)cc1 ZINC000527813484 270537362 /nfs/dbraw/zinc/53/73/62/270537362.db2.gz WNYQEMRZDQRQFT-UHFFFAOYSA-N 1 1 299.399 2.810 20 30 CFEDMO Cc1ccc(N2CCC(C[N@H+](C)C(C)C)CC2)nc1C#N ZINC000530332168 270786055 /nfs/dbraw/zinc/78/60/55/270786055.db2.gz BOPJGHOTOHHZSD-UHFFFAOYSA-N 1 1 286.423 2.818 20 30 CFEDMO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccccc1Br ZINC000289695959 273487457 /nfs/dbraw/zinc/48/74/57/273487457.db2.gz IITGJCUGNFCSRM-UWVGGRQHSA-N 1 1 270.170 2.647 20 30 CFEDMO COCC[N@@H+](C)CC#Cc1ccc(C(F)(F)F)cc1 ZINC000267323148 274022795 /nfs/dbraw/zinc/02/27/95/274022795.db2.gz AKMOCQXHOHCRKS-UHFFFAOYSA-N 1 1 271.282 2.635 20 30 CFEDMO C[C@@H](CCNc1cncc(C#N)n1)[N@@H+](C)Cc1ccccc1 ZINC000401307940 274209908 /nfs/dbraw/zinc/20/99/08/274209908.db2.gz UIRAPBNBSJXMEU-AWEZNQCLSA-N 1 1 295.390 2.671 20 30 CFEDMO C[C@@H](CNCc1ccc(C#N)cc1C(F)(F)F)[NH+](C)C ZINC000352827679 274224881 /nfs/dbraw/zinc/22/48/81/274224881.db2.gz ZICVWBSUQVPEQT-JTQLQIEISA-N 1 1 285.313 2.617 20 30 CFEDMO C#CCCCC(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000192194995 275379139 /nfs/dbraw/zinc/37/91/39/275379139.db2.gz NHRQPIFLDGHTBD-MRXNPFEDSA-N 1 1 282.387 2.801 20 30 CFEDMO C#CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000285437216 275379370 /nfs/dbraw/zinc/37/93/70/275379370.db2.gz CQPWGTNUCGSUSE-SQNIBIBYSA-N 1 1 269.388 2.904 20 30 CFEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000266969504 275381244 /nfs/dbraw/zinc/38/12/44/275381244.db2.gz ZIKHFGQROHNTSC-CQSZACIVSA-N 1 1 258.365 2.586 20 30 CFEDMO C#CC[N@H+](CC)[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000266969504 275381245 /nfs/dbraw/zinc/38/12/45/275381245.db2.gz ZIKHFGQROHNTSC-CQSZACIVSA-N 1 1 258.365 2.586 20 30 CFEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COC(C)C ZINC000097357104 276001787 /nfs/dbraw/zinc/00/17/87/276001787.db2.gz IIIFWKYIKGVORJ-QGZVFWFLSA-N 1 1 290.407 2.556 20 30 CFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CC#Cc1ccccc1 ZINC000192063614 276233929 /nfs/dbraw/zinc/23/39/29/276233929.db2.gz HCXCODVNDDYVNL-MSOLQXFVSA-N 1 1 268.404 2.597 20 30 CFEDMO CC[N@@H+]1C[C@H](C)N(c2nccc(C#N)c2Cl)C[C@H]1C ZINC000342477053 276251341 /nfs/dbraw/zinc/25/13/41/276251341.db2.gz PZYUZMOLCDPTOZ-MNOVXSKESA-N 1 1 278.787 2.526 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(c2nccc(C#N)c2Cl)C[C@H]1C ZINC000342477053 276251343 /nfs/dbraw/zinc/25/13/43/276251343.db2.gz PZYUZMOLCDPTOZ-MNOVXSKESA-N 1 1 278.787 2.526 20 30 CFEDMO CN(c1ncccc1C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268456210 277004767 /nfs/dbraw/zinc/00/47/67/277004767.db2.gz CLISHOMFGUVNFJ-KRWDZBQOSA-N 1 1 292.386 2.664 20 30 CFEDMO C[N@H+]1CCCC12CCN(c1ccc(C#N)cc1F)CC2 ZINC000336179488 277042237 /nfs/dbraw/zinc/04/22/37/277042237.db2.gz GWUBVDFHXFZKPJ-UHFFFAOYSA-N 1 1 273.355 2.762 20 30 CFEDMO COC(=O)CC[N@H+](Cc1cccc(F)c1C#N)CC(C)C ZINC000428413737 277056512 /nfs/dbraw/zinc/05/65/12/277056512.db2.gz QEQOWSVXMAPFOK-UHFFFAOYSA-N 1 1 292.354 2.718 20 30 CFEDMO C[N@@H+]1CCN(C(=O)c2cccc(C#N)c2)c2ccccc2C1 ZINC000103412112 277098923 /nfs/dbraw/zinc/09/89/23/277098923.db2.gz RYOKIWIXYBXPLU-UHFFFAOYSA-N 1 1 291.354 2.650 20 30 CFEDMO C[N@H+]1CCN(C(=O)c2cccc(C#N)c2)c2ccccc2C1 ZINC000103412112 277098926 /nfs/dbraw/zinc/09/89/26/277098926.db2.gz RYOKIWIXYBXPLU-UHFFFAOYSA-N 1 1 291.354 2.650 20 30 CFEDMO CC(C)(C#N)CC[N@@H+](CCO)CC1CCCCC1 ZINC000347177258 277120753 /nfs/dbraw/zinc/12/07/53/277120753.db2.gz WTDFBINLWZNDAL-UHFFFAOYSA-N 1 1 252.402 2.801 20 30 CFEDMO CC(C)([NH2+][C@H](C(N)=O)c1ccc(C#N)cc1)c1cccs1 ZINC000348360971 277310439 /nfs/dbraw/zinc/31/04/39/277310439.db2.gz WDWNLXZXZQNIRE-AWEZNQCLSA-N 1 1 299.399 2.671 20 30 CFEDMO CC(C)C(=O)N[C@@H]1CCC[N@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000118396194 277334513 /nfs/dbraw/zinc/33/45/13/277334513.db2.gz OAFQGOFCIKSNGI-WMLDXEAASA-N 1 1 299.418 2.856 20 30 CFEDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)[C@H]1C(C)C ZINC000429360984 277395238 /nfs/dbraw/zinc/39/52/38/277395238.db2.gz ITZYSBXMOAQPMW-HOTGVXAUSA-N 1 1 286.375 2.578 20 30 CFEDMO COc1cccc2c1CC[N@@H+](Cc1cc(C#N)n(C)c1)CC2 ZINC000194572753 278029078 /nfs/dbraw/zinc/02/90/78/278029078.db2.gz IYFXCGOWDDONSD-UHFFFAOYSA-N 1 1 295.386 2.506 20 30 CFEDMO C[C@@H](NC[C@H](C)[N@H+](C)C1CC1)c1ccc(C#N)cc1 ZINC000181706248 278353289 /nfs/dbraw/zinc/35/32/89/278353289.db2.gz IHGAVIMMUYJVNG-QWHCGFSZSA-N 1 1 257.381 2.692 20 30 CFEDMO C[C@@H](NC[C@H](C)[N@@H+](C)C1CC1)c1ccc(C#N)cc1 ZINC000181706248 278353290 /nfs/dbraw/zinc/35/32/90/278353290.db2.gz IHGAVIMMUYJVNG-QWHCGFSZSA-N 1 1 257.381 2.692 20 30 CFEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nccn1C ZINC000070444203 278378964 /nfs/dbraw/zinc/37/89/64/278378964.db2.gz XWQDNHOABOQMLK-VXGBXAGGSA-N 1 1 254.337 2.704 20 30 CFEDMO Cc1c(C#N)cccc1NC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000350224651 280203166 /nfs/dbraw/zinc/20/31/66/280203166.db2.gz NWDSVANDAURVLC-GFCCVEGCSA-N 1 1 288.395 2.717 20 30 CFEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@@H]1C ZINC000248845183 281037343 /nfs/dbraw/zinc/03/73/43/281037343.db2.gz MYVHHEYXDFPVPZ-XHDPSFHLSA-N 1 1 262.328 2.554 20 30 CFEDMO COc1ccc(C#N)cc1C[NH2+][C@H](CO)c1ccccc1C ZINC000542910579 281636934 /nfs/dbraw/zinc/63/69/34/281636934.db2.gz ISHNZKKAYWJHDA-QGZVFWFLSA-N 1 1 296.370 2.699 20 30 CFEDMO C[NH+](C)CCCC1CCN(Cc2ccc(C#N)cn2)CC1 ZINC000556126462 281927689 /nfs/dbraw/zinc/92/76/89/281927689.db2.gz LIQZNGKPZRNFJP-UHFFFAOYSA-N 1 1 286.423 2.507 20 30 CFEDMO CC[N@H+]1CCN(c2ccc3cc(C#N)ccc3n2)[C@H](C)C1 ZINC000561356937 282052815 /nfs/dbraw/zinc/05/28/15/282052815.db2.gz JDFVFRHBUNABTI-CYBMUJFWSA-N 1 1 280.375 2.637 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)Cc1ccc(CO)o1 ZINC000563806696 290175266 /nfs/dbraw/zinc/17/52/66/290175266.db2.gz FEPMXOZRWONBNP-LBPRGKRZSA-N 1 1 270.332 2.837 20 30 CFEDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc(C#N)cc1C ZINC000566028412 290342395 /nfs/dbraw/zinc/34/23/95/290342395.db2.gz OMFQTPSYUIEMQH-MRXNPFEDSA-N 1 1 299.418 2.813 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccccc1F ZINC001085461830 782060967 /nfs/dbraw/zinc/06/09/67/782060967.db2.gz OPGQVOVRHVWLQV-ZDUSSCGKSA-N 1 1 276.355 2.548 20 30 CFEDMO C=CCC(C)(C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000352546277 527011734 /nfs/dbraw/zinc/01/17/34/527011734.db2.gz SIPZPUPFBIEQRI-ZDUSSCGKSA-N 1 1 252.402 2.579 20 30 CFEDMO Cc1cc(C)c(C#N)c(N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)n1 ZINC000488743893 301162229 /nfs/dbraw/zinc/16/22/29/301162229.db2.gz IWBZMZFQVPGJRY-SUYBPPKGSA-N 1 1 298.434 2.737 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C)c1 ZINC001085466116 782067487 /nfs/dbraw/zinc/06/74/87/782067487.db2.gz OUQANRDWHBULIJ-MRXNPFEDSA-N 1 1 272.392 2.717 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1scnc1C ZINC001085497596 782081087 /nfs/dbraw/zinc/08/10/87/782081087.db2.gz HZKFQIJOMZQILM-CYBMUJFWSA-N 1 1 293.436 2.564 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(Cl)c[nH]1 ZINC001085483597 782076657 /nfs/dbraw/zinc/07/66/57/782076657.db2.gz HEYCZAPDWDHWLY-CYBMUJFWSA-N 1 1 295.814 2.781 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C)nc1 ZINC001085487543 782078844 /nfs/dbraw/zinc/07/88/44/782078844.db2.gz BVAMKLROUZOKKD-INIZCTEOSA-N 1 1 287.407 2.503 20 30 CFEDMO N#CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000260640983 327987481 /nfs/dbraw/zinc/98/74/81/327987481.db2.gz VJNKMMRORZWFSL-UHFFFAOYSA-N 1 1 291.782 2.904 20 30 CFEDMO C=CCCCCC[N@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000375637261 329004739 /nfs/dbraw/zinc/00/47/39/329004739.db2.gz SMXZFSDMNRUYLW-HNNXBMFYSA-N 1 1 253.386 2.614 20 30 CFEDMO C=C(C)[C@@H](CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)OCC ZINC000339363409 328008316 /nfs/dbraw/zinc/00/83/16/328008316.db2.gz QBOXQUJDZLZVTL-JKSUJKDBSA-N 1 1 296.455 2.691 20 30 CFEDMO C=C(Br)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366483526 328013148 /nfs/dbraw/zinc/01/31/48/328013148.db2.gz QCXGNBFBUJRJFB-LBPRGKRZSA-N 1 1 274.202 2.644 20 30 CFEDMO C=C(Br)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366483526 328013150 /nfs/dbraw/zinc/01/31/50/328013150.db2.gz QCXGNBFBUJRJFB-LBPRGKRZSA-N 1 1 274.202 2.644 20 30 CFEDMO CC(C)[N@H+](CCC#N)Cc1cccc(-n2cccn2)c1 ZINC000534337039 328049317 /nfs/dbraw/zinc/04/93/17/328049317.db2.gz KDBHZOAEMZVINX-UHFFFAOYSA-N 1 1 268.364 2.996 20 30 CFEDMO CC(C)[N@@H+](CCC#N)Cc1cccc(-n2cccn2)c1 ZINC000534337039 328049319 /nfs/dbraw/zinc/04/93/19/328049319.db2.gz KDBHZOAEMZVINX-UHFFFAOYSA-N 1 1 268.364 2.996 20 30 CFEDMO C[C@H]([NH2+]CCC#N)c1ccc(NC(=O)NC2CC2)cc1 ZINC000567136739 328071161 /nfs/dbraw/zinc/07/11/61/328071161.db2.gz GJDLCEVFYDHMPL-NSHDSACASA-N 1 1 272.352 2.535 20 30 CFEDMO C[N@@H+](CCOCCC#N)Cc1ccc(Cl)cc1 ZINC000293475197 328100278 /nfs/dbraw/zinc/10/02/78/328100278.db2.gz MBFYNQRFAROUJZ-UHFFFAOYSA-N 1 1 252.745 2.702 20 30 CFEDMO CC#CC[N@@H+](C)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000411769330 328099650 /nfs/dbraw/zinc/09/96/50/328099650.db2.gz KGUFMOVXXCCHLR-UHFFFAOYSA-N 1 1 298.308 2.989 20 30 CFEDMO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000161030994 328118458 /nfs/dbraw/zinc/11/84/58/328118458.db2.gz YGVZLEFBCDDTAK-HZMBPMFUSA-N 1 1 282.334 2.696 20 30 CFEDMO C=CCOc1ccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000430124660 328135891 /nfs/dbraw/zinc/13/58/91/328135891.db2.gz LGROZRJITUNSNR-GOSISDBHSA-N 1 1 286.419 2.779 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)CC(C)(C)O1 ZINC000264572495 328160498 /nfs/dbraw/zinc/16/04/98/328160498.db2.gz SIKDXMPXDOKOPV-ZDUSSCGKSA-N 1 1 274.364 2.588 20 30 CFEDMO N#CCOc1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000266608946 328169685 /nfs/dbraw/zinc/16/96/85/328169685.db2.gz ZCLQDPITAPRUEN-UHFFFAOYSA-N 1 1 286.375 2.591 20 30 CFEDMO CC1(C#N)CC[NH+](C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000272651176 328200277 /nfs/dbraw/zinc/20/02/77/328200277.db2.gz ZJDMEKPKMLWCGH-CYBMUJFWSA-N 1 1 280.318 2.624 20 30 CFEDMO CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC(C)(C#N)C2)cc1 ZINC000280606417 328235773 /nfs/dbraw/zinc/23/57/73/328235773.db2.gz ZCTCSLDEFLEVBF-UHFFFAOYSA-N 1 1 299.418 2.904 20 30 CFEDMO CCOc1ccccc1C[N@@H+]1CCN(CCC#N)[C@H](C)C1 ZINC000282318826 328241992 /nfs/dbraw/zinc/24/19/92/328241992.db2.gz KXZDVSNNHKIKET-OAHLLOKOSA-N 1 1 287.407 2.505 20 30 CFEDMO CCOc1ccccc1C[N@H+]1CCN(CCC#N)[C@H](C)C1 ZINC000282318826 328241994 /nfs/dbraw/zinc/24/19/94/328241994.db2.gz KXZDVSNNHKIKET-OAHLLOKOSA-N 1 1 287.407 2.505 20 30 CFEDMO C[N@@H+](CCCCC#N)CCc1nc(-c2ccccc2)no1 ZINC000286062386 328249011 /nfs/dbraw/zinc/24/90/11/328249011.db2.gz RMTMQDUFLYGCNW-UHFFFAOYSA-N 1 1 284.363 2.905 20 30 CFEDMO CC[C@@H](CC#N)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000184090816 329256226 /nfs/dbraw/zinc/25/62/26/329256226.db2.gz CJKDHUVCTJNRGC-NSHDSACASA-N 1 1 277.334 2.685 20 30 CFEDMO C=CCCC1(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000353536652 328266400 /nfs/dbraw/zinc/26/64/00/328266400.db2.gz QBSQXCVOPUQBRW-ZDUSSCGKSA-N 1 1 276.380 2.745 20 30 CFEDMO Cn1cc(Cl)cc1C[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000292937763 328273966 /nfs/dbraw/zinc/27/39/66/328273966.db2.gz ZREYJYWDFYTSOT-ZYHUDNBSSA-N 1 1 251.761 2.803 20 30 CFEDMO CCCOc1ccc2c(c1)CC[N@H+](CCOCCC#N)C2 ZINC000293751179 328277553 /nfs/dbraw/zinc/27/75/53/328277553.db2.gz IWUBDZBMPAJHQS-UHFFFAOYSA-N 1 1 288.391 2.764 20 30 CFEDMO CCC(C#N)(CC)C(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000529057508 328282211 /nfs/dbraw/zinc/28/22/11/328282211.db2.gz DHPPIWAEVGQYOG-UHFFFAOYSA-N 1 1 288.395 2.685 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC001085532154 782090510 /nfs/dbraw/zinc/09/05/10/782090510.db2.gz IDUKXVYWPBLMHL-NCOADZHNSA-N 1 1 290.451 2.922 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)C1CCOCC1 ZINC000162870539 322369873 /nfs/dbraw/zinc/36/98/73/322369873.db2.gz BLYGJQASXVHNQM-UHFFFAOYSA-N 1 1 264.756 2.822 20 30 CFEDMO COCCOc1ccc(C[N@H+](CCC#N)C(C)C)cc1 ZINC000535073432 328384347 /nfs/dbraw/zinc/38/43/47/328384347.db2.gz SCSJYXUWJSUBJA-UHFFFAOYSA-N 1 1 276.380 2.836 20 30 CFEDMO COCCOc1ccc(C[N@@H+](CCC#N)C(C)C)cc1 ZINC000535073432 328384348 /nfs/dbraw/zinc/38/43/48/328384348.db2.gz SCSJYXUWJSUBJA-UHFFFAOYSA-N 1 1 276.380 2.836 20 30 CFEDMO Cc1cccn2cc(C[NH2+]Cc3cc(C#N)cs3)nc12 ZINC000177703949 323702356 /nfs/dbraw/zinc/70/23/56/323702356.db2.gz RGHNHTVZBPWJSO-UHFFFAOYSA-N 1 1 282.372 2.866 20 30 CFEDMO C[C@@H]1CSCC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000190401570 324040422 /nfs/dbraw/zinc/04/04/22/324040422.db2.gz VAQVSZFDVPNXIA-NSHDSACASA-N 1 1 264.369 2.882 20 30 CFEDMO C[C@@H]1CSCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000190844120 324043274 /nfs/dbraw/zinc/04/32/74/324043274.db2.gz IUQTWRKXBPNHDL-JTQLQIEISA-N 1 1 252.408 2.805 20 30 CFEDMO C[C@H]1SCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C ZINC000580837053 325068246 /nfs/dbraw/zinc/06/82/46/325068246.db2.gz OMHAZBKNKCMKPI-GHMZBOCLSA-N 1 1 291.376 2.792 20 30 CFEDMO C[C@H]1SCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])[C@@H]1C ZINC000580837053 325068249 /nfs/dbraw/zinc/06/82/49/325068249.db2.gz OMHAZBKNKCMKPI-GHMZBOCLSA-N 1 1 291.376 2.792 20 30 CFEDMO Cc1cn(CC[N@H+](C)Cc2ccccc2)cc1C#N ZINC000581061950 325086593 /nfs/dbraw/zinc/08/65/93/325086593.db2.gz UZSNKIGJNGOILF-UHFFFAOYSA-N 1 1 253.349 2.800 20 30 CFEDMO C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)Nc1cccnc1C#N ZINC000581223606 325101198 /nfs/dbraw/zinc/10/11/98/325101198.db2.gz OPXLSGXHSRTODY-HZSPNIEDSA-N 1 1 272.396 2.732 20 30 CFEDMO Cc1[nH+]ccn1CCCN1CCCc2cc(C#N)ccc21 ZINC000582644332 325222016 /nfs/dbraw/zinc/22/20/16/325222016.db2.gz UOOHUNPUWBDACT-UHFFFAOYSA-N 1 1 280.375 2.906 20 30 CFEDMO C=CCCCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000568950663 327025294 /nfs/dbraw/zinc/02/52/94/327025294.db2.gz AVIHDHRFPDFAIY-OWCLPIDISA-N 1 1 266.429 2.526 20 30 CFEDMO C=C(C)C[N@H+]1C[C@H](C(=O)NCCCC)CC[C@H]1C ZINC000069173412 327032820 /nfs/dbraw/zinc/03/28/20/327032820.db2.gz RYEWZKSKQMVQNN-ZIAGYGMSSA-N 1 1 252.402 2.579 20 30 CFEDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)c1 ZINC000028917769 327046600 /nfs/dbraw/zinc/04/66/00/327046600.db2.gz CFXAUKBEEMPXNN-TZMCWYRMSA-N 1 1 284.363 2.739 20 30 CFEDMO C=CCCCCC[N@H+](C)C[C@](C)(O)C(F)(F)F ZINC000410380552 327189235 /nfs/dbraw/zinc/18/92/35/327189235.db2.gz TZAXZPAQLIWYLG-NSHDSACASA-N 1 1 253.308 2.978 20 30 CFEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCC(C)(C)CCC#N ZINC000358041646 327210711 /nfs/dbraw/zinc/21/07/11/327210711.db2.gz TWMGSJMEKIWBHW-AWEZNQCLSA-N 1 1 296.459 2.736 20 30 CFEDMO C=C(C)C[N@@H+]1CCN(c2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000109964903 327217664 /nfs/dbraw/zinc/21/76/64/327217664.db2.gz BWOZKGAILZNIAB-CQSZACIVSA-N 1 1 288.391 2.560 20 30 CFEDMO C=CC[N@H+](Cc1cccs1)Cc1cnc2cnccn12 ZINC000119931150 327295659 /nfs/dbraw/zinc/29/56/59/327295659.db2.gz QLFSSHAYLRZVIF-UHFFFAOYSA-N 1 1 284.388 2.979 20 30 CFEDMO C=CC[N@@H+](Cc1cccs1)Cc1cnc2cnccn12 ZINC000119931150 327295660 /nfs/dbraw/zinc/29/56/60/327295660.db2.gz QLFSSHAYLRZVIF-UHFFFAOYSA-N 1 1 284.388 2.979 20 30 CFEDMO CC#CCCCC(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000560648364 327333164 /nfs/dbraw/zinc/33/31/64/327333164.db2.gz FETMLOIYPQNCJB-UHFFFAOYSA-N 1 1 290.451 2.974 20 30 CFEDMO CN(CCC#N)C(=O)CC[N@H+]1CCc2ccccc2C1(C)C ZINC000560959768 327354249 /nfs/dbraw/zinc/35/42/49/327354249.db2.gz BSQUDTOBNDOHLT-UHFFFAOYSA-N 1 1 299.418 2.542 20 30 CFEDMO C[C@@H](C#N)C[N@H+](CCN1CCc2ccccc21)C1CC1 ZINC000428299859 327387325 /nfs/dbraw/zinc/38/73/25/327387325.db2.gz GCGYDSLPWQJPKR-AWEZNQCLSA-N 1 1 269.392 2.673 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](CCN1CCc2ccccc21)C1CC1 ZINC000428299859 327387326 /nfs/dbraw/zinc/38/73/26/327387326.db2.gz GCGYDSLPWQJPKR-AWEZNQCLSA-N 1 1 269.392 2.673 20 30 CFEDMO CC#CCC[N@@H+](CCOC)CCOc1ccc(F)cc1 ZINC000155638762 327395478 /nfs/dbraw/zinc/39/54/78/327395478.db2.gz VFOJVKHFEPROBJ-UHFFFAOYSA-N 1 1 279.355 2.566 20 30 CFEDMO Cc1cc(NC(=O)C2(C#N)CC(C)C2)cn2cc[nH+]c12 ZINC000563896199 328689635 /nfs/dbraw/zinc/68/96/35/328689635.db2.gz YDQRMGNZWMUVGK-UHFFFAOYSA-N 1 1 268.320 2.521 20 30 CFEDMO COCC[N@@H+](CCCC#N)[C@@H]1CCCc2cccnc21 ZINC000375390156 329003135 /nfs/dbraw/zinc/00/31/35/329003135.db2.gz JCGPXBHQLRPYDQ-OAHLLOKOSA-N 1 1 273.380 2.711 20 30 CFEDMO C#Cc1ccc(CN[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000377549169 329018514 /nfs/dbraw/zinc/01/85/14/329018514.db2.gz JYQMSJPTJCUQMG-QGZVFWFLSA-N 1 1 268.404 2.774 20 30 CFEDMO C#Cc1ccc(C[NH2+][C@@H]2CCN(C3CCCC3)C2)cc1 ZINC000377549169 329018516 /nfs/dbraw/zinc/01/85/16/329018516.db2.gz JYQMSJPTJCUQMG-QGZVFWFLSA-N 1 1 268.404 2.774 20 30 CFEDMO N#CCCC[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377651252 329022978 /nfs/dbraw/zinc/02/29/78/329022978.db2.gz YUSNEUTWJCKNBG-ZFWWWQNUSA-N 1 1 278.783 2.651 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377733638 329027479 /nfs/dbraw/zinc/02/74/79/329027479.db2.gz XMPRIPKMRCXHEB-OAHLLOKOSA-N 1 1 270.392 2.624 20 30 CFEDMO CC#CCC[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000377730479 329027620 /nfs/dbraw/zinc/02/76/20/329027620.db2.gz YKGVKQRZUBDMMZ-GJZGRUSLSA-N 1 1 292.423 2.589 20 30 CFEDMO CC(C)(C)OC(=O)N1CCC[C@@]2(CC[N@H+]2CCCC#N)C1 ZINC000377785203 329029344 /nfs/dbraw/zinc/02/93/44/329029344.db2.gz PAFGKJFFUBGJLQ-MRXNPFEDSA-N 1 1 293.411 2.766 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCCOC(C)(C)C2)cc1 ZINC000378347491 329047150 /nfs/dbraw/zinc/04/71/50/329047150.db2.gz VLOVMOKXRKMPRN-UHFFFAOYSA-N 1 1 273.376 2.700 20 30 CFEDMO C#CCCCCC(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000378409196 329049511 /nfs/dbraw/zinc/04/95/11/329049511.db2.gz YWGIEHIQVSJXNF-UHFFFAOYSA-N 1 1 270.376 2.659 20 30 CFEDMO C#CCCCCC(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000378409196 329049513 /nfs/dbraw/zinc/04/95/13/329049513.db2.gz YWGIEHIQVSJXNF-UHFFFAOYSA-N 1 1 270.376 2.659 20 30 CFEDMO C=CC[NH+]1CCN([C@H](C)c2cccc(OC)c2)CC1 ZINC000171705184 329078530 /nfs/dbraw/zinc/07/85/30/329078530.db2.gz DEKBDYVMNPFFDH-CQSZACIVSA-N 1 1 260.381 2.560 20 30 CFEDMO CC1=C[C@@H](C)C[N@H+]([C@@H](C)C(=O)NC2(C#N)CCCCC2)C1 ZINC000582709961 329133350 /nfs/dbraw/zinc/13/33/50/329133350.db2.gz ROXCYCWRTLSBNT-HIFRSBDPSA-N 1 1 289.423 2.616 20 30 CFEDMO C[C@H]1CC[C@H](C)[N@@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000174470849 329159156 /nfs/dbraw/zinc/15/91/56/329159156.db2.gz GCUGPGABDZBTKH-GJZGRUSLSA-N 1 1 291.439 2.792 20 30 CFEDMO C=CCCCC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000175469682 329168937 /nfs/dbraw/zinc/16/89/37/329168937.db2.gz GDLMCUYAXPWSCL-CQSZACIVSA-N 1 1 252.402 2.579 20 30 CFEDMO C=CC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCCCC1 ZINC000176240651 329172693 /nfs/dbraw/zinc/17/26/93/329172693.db2.gz WOIVYYSBTBIQEV-UHFFFAOYSA-N 1 1 292.383 2.860 20 30 CFEDMO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000176049152 329173557 /nfs/dbraw/zinc/17/35/57/329173557.db2.gz LSCXSSSCTXZQCF-OAHLLOKOSA-N 1 1 264.413 2.723 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000177196985 329180702 /nfs/dbraw/zinc/18/07/02/329180702.db2.gz LMZHXNGGNJSICS-LSDHHAIUSA-N 1 1 294.464 2.547 20 30 CFEDMO N#CCSCCC[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000177189272 329181730 /nfs/dbraw/zinc/18/17/30/329181730.db2.gz JWPMJLNWCTZCRK-STQMWFEESA-N 1 1 270.467 2.993 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000181048548 329225545 /nfs/dbraw/zinc/22/55/45/329225545.db2.gz DWMSHTCGNFEVKM-UHFFFAOYSA-N 1 1 280.375 2.967 20 30 CFEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(SC)cc1 ZINC000181261982 329228309 /nfs/dbraw/zinc/22/83/09/329228309.db2.gz BCXJBKMPNIDQQH-UHFFFAOYSA-N 1 1 264.394 2.855 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(SC)cc1 ZINC000181261982 329228311 /nfs/dbraw/zinc/22/83/11/329228311.db2.gz BCXJBKMPNIDQQH-UHFFFAOYSA-N 1 1 264.394 2.855 20 30 CFEDMO C=C(C)C[N@@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000181279371 329229182 /nfs/dbraw/zinc/22/91/82/329229182.db2.gz PZRQSKUVPYHGJR-UHFFFAOYSA-N 1 1 250.317 2.662 20 30 CFEDMO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000181283448 329229474 /nfs/dbraw/zinc/22/94/74/329229474.db2.gz XWDWOJMEDQESBX-JTQLQIEISA-N 1 1 268.307 2.800 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000181283448 329229475 /nfs/dbraw/zinc/22/94/75/329229475.db2.gz XWDWOJMEDQESBX-JTQLQIEISA-N 1 1 268.307 2.800 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000181292569 329229795 /nfs/dbraw/zinc/22/97/95/329229795.db2.gz XRAMIHVQSQQGDL-UHFFFAOYSA-N 1 1 272.801 2.526 20 30 CFEDMO C=C(C)C[N@@H+](C)CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000181310227 329230793 /nfs/dbraw/zinc/23/07/93/329230793.db2.gz QLGHILPONDPLLZ-AWEZNQCLSA-N 1 1 272.392 2.862 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N1c2ccccc2CC[C@@H]1C ZINC000181310227 329230794 /nfs/dbraw/zinc/23/07/94/329230794.db2.gz QLGHILPONDPLLZ-AWEZNQCLSA-N 1 1 272.392 2.862 20 30 CFEDMO CN(CCC#N)C(=O)CC[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000181540910 329234155 /nfs/dbraw/zinc/23/41/55/329234155.db2.gz YPVDULFVWWTKJZ-UHFFFAOYSA-N 1 1 297.402 2.538 20 30 CFEDMO N#CCSCCC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183354119 329247360 /nfs/dbraw/zinc/24/73/60/329247360.db2.gz PCUUAEGAUGGTAD-HNNXBMFYSA-N 1 1 294.395 2.926 20 30 CFEDMO C=CCc1cc(C[NH2+][C@@H](CC)CC#N)cc(OC)c1O ZINC000184096451 329256271 /nfs/dbraw/zinc/25/62/71/329256271.db2.gz IUJACCMLSMBLPI-AWEZNQCLSA-N 1 1 274.364 2.911 20 30 CFEDMO C=CC[C@H](CO)CNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC000460947103 329329980 /nfs/dbraw/zinc/32/99/80/329329980.db2.gz DVTCZBRKBOZGEY-AWEZNQCLSA-N 1 1 270.376 2.870 20 30 CFEDMO CN(C)CC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCCC1 ZINC000185899592 329334630 /nfs/dbraw/zinc/33/46/30/329334630.db2.gz DOKYHCGAAQZHAU-GJZGRUSLSA-N 1 1 263.429 2.780 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186185334 329339108 /nfs/dbraw/zinc/33/91/08/329339108.db2.gz SIYMFMNICURBDN-UHFFFAOYSA-N 1 1 296.414 2.734 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@H+]1Cc2ccccc2C2(CC2)C1 ZINC000186185334 329339109 /nfs/dbraw/zinc/33/91/09/329339109.db2.gz SIYMFMNICURBDN-UHFFFAOYSA-N 1 1 296.414 2.734 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186932290 329350169 /nfs/dbraw/zinc/35/01/69/329350169.db2.gz UBGSPACJKNSBSZ-UHFFFAOYSA-N 1 1 283.774 2.948 20 30 CFEDMO CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(C#N)CC1 ZINC000057906375 329678164 /nfs/dbraw/zinc/67/81/64/329678164.db2.gz APRICRSTKLLQKN-UHFFFAOYSA-N 1 1 299.418 2.659 20 30 CFEDMO Cc1ccc2nc(CNC(=[NH2+])NC3CCCCC3)[nH]c2c1 ZINC000262463590 330014822 /nfs/dbraw/zinc/01/48/22/330014822.db2.gz SQCZNSMTYXSCNO-UHFFFAOYSA-N 1 1 285.395 2.608 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000264745985 330061852 /nfs/dbraw/zinc/06/18/52/330061852.db2.gz TXLPKTZIFCHBCV-TZMCWYRMSA-N 1 1 292.810 2.820 20 30 CFEDMO C=CC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000421708870 330069114 /nfs/dbraw/zinc/06/91/14/330069114.db2.gz BIHZPVXBCIWCAG-DLBZAZTESA-N 1 1 286.419 2.899 20 30 CFEDMO C=CC[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000421708871 330069199 /nfs/dbraw/zinc/06/91/99/330069199.db2.gz BIHZPVXBCIWCAG-IAGOWNOFSA-N 1 1 286.419 2.899 20 30 CFEDMO C=C[C@H](CC(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000421713195 330069380 /nfs/dbraw/zinc/06/93/80/330069380.db2.gz SABZZHZDMZXEIX-WBVHZDCISA-N 1 1 286.419 2.899 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000271195983 330077994 /nfs/dbraw/zinc/07/79/94/330077994.db2.gz HPXFAOIUTBAAJB-UHFFFAOYSA-N 1 1 285.387 2.701 20 30 CFEDMO CC#CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000278776797 330119823 /nfs/dbraw/zinc/11/98/23/330119823.db2.gz HBPVXKVSVUVGTG-RDJZCZTQSA-N 1 1 284.403 2.521 20 30 CFEDMO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000423094303 330169438 /nfs/dbraw/zinc/16/94/38/330169438.db2.gz JUMXMBZOAHTLOB-DDBAPUKQSA-N 1 1 288.435 2.516 20 30 CFEDMO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)CCC#N ZINC000423119120 330171133 /nfs/dbraw/zinc/17/11/33/330171133.db2.gz DHMFHGKFQMHCMR-GDBMZVCRSA-N 1 1 273.424 2.864 20 30 CFEDMO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000423154413 330173223 /nfs/dbraw/zinc/17/32/23/330173223.db2.gz HQUKVKHFDFPXOA-IWCQGFGOSA-N 1 1 271.408 2.617 20 30 CFEDMO N#CC1(c2ccccc2)CCC([NH2+]CC2(N)CCC2)CC1 ZINC000423316513 330190014 /nfs/dbraw/zinc/19/00/14/330190014.db2.gz BTBFEWZMXIHEMW-UHFFFAOYSA-N 1 1 283.419 2.862 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)nn1 ZINC000424147085 330293946 /nfs/dbraw/zinc/29/39/46/330293946.db2.gz XOGWYPFWXNRXGW-ZDUSSCGKSA-N 1 1 282.391 2.804 20 30 CFEDMO CCC(C#N)(CC)C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000528305832 330320263 /nfs/dbraw/zinc/32/02/63/330320263.db2.gz XJGGRBIZOATVRD-UHFFFAOYSA-N 1 1 279.428 2.649 20 30 CFEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2csc(-c3ccccn3)n2)C1 ZINC000424204970 330327600 /nfs/dbraw/zinc/32/76/00/330327600.db2.gz VWKLGFQJDFWSOO-NEPJUHHUSA-N 1 1 284.388 2.987 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H](c2ccccc2)C(C)C)nn1 ZINC000424292328 330335071 /nfs/dbraw/zinc/33/50/71/330335071.db2.gz GMFVZQPJDUZCPF-INIZCTEOSA-N 1 1 270.380 2.951 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H]2CCCc3ccc(OC)cc32)nn1 ZINC000424293879 330335419 /nfs/dbraw/zinc/33/54/19/330335419.db2.gz JQWNCRLKSOBEJQ-KRWDZBQOSA-N 1 1 298.390 2.640 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H](C)c2ccc(C)c(C)c2)nn1 ZINC000424293839 330335525 /nfs/dbraw/zinc/33/55/25/330335525.db2.gz JPXZGRRGARUICD-AWEZNQCLSA-N 1 1 270.380 2.932 20 30 CFEDMO CCc1ccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)cc1 ZINC000424341423 330344169 /nfs/dbraw/zinc/34/41/69/330344169.db2.gz VJVIPIJXCFNPLL-ZDUSSCGKSA-N 1 1 270.336 2.993 20 30 CFEDMO CC(C)C[C@H](C)[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000445442812 330352560 /nfs/dbraw/zinc/35/25/60/330352560.db2.gz CNGPHOMOIAKCEF-DEYYWGMASA-N 1 1 297.402 2.766 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000087608653 330373667 /nfs/dbraw/zinc/37/36/67/330373667.db2.gz XDQJUOOQDSJCRK-KBPBESRZSA-N 1 1 250.386 2.960 20 30 CFEDMO C=C(C)CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119576229 330376874 /nfs/dbraw/zinc/37/68/74/330376874.db2.gz OJYGJXJUNUQUSM-UONOGXRCSA-N 1 1 279.428 2.515 20 30 CFEDMO C#CC[NH2+][C@H](C(=O)Nc1ccccc1)c1ccccc1 ZINC000119715860 330379066 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CFEDMO CCN(CC)C(=O)C1([NH2+]CC2(C#N)CCC2)CCCCC1 ZINC000450573069 330987414 /nfs/dbraw/zinc/98/74/14/330987414.db2.gz VWMJJMFTXKNEFD-UHFFFAOYSA-N 1 1 291.439 2.841 20 30 CFEDMO CCc1ccc([C@@H](CO)[NH2+]CC2(C#N)CCC2)cc1 ZINC000450712517 330994953 /nfs/dbraw/zinc/99/49/53/330994953.db2.gz QYGDBRTTXDNZHQ-OAHLLOKOSA-N 1 1 258.365 2.566 20 30 CFEDMO C=CCC1(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)CCCC1 ZINC000450795450 331000045 /nfs/dbraw/zinc/00/00/45/331000045.db2.gz OGKLTVCHFSENLC-KGLIPLIRSA-N 1 1 264.413 2.722 20 30 CFEDMO CN(C(=O)[C@@H]1CC[N@@H+](CC2(C#N)CCC2)C1)c1ccccc1 ZINC000450917702 331007104 /nfs/dbraw/zinc/00/71/04/331007104.db2.gz UDOXUSVMNXEBFU-OAHLLOKOSA-N 1 1 297.402 2.665 20 30 CFEDMO C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](C)CC(C)(C)C#N ZINC000451067180 331014632 /nfs/dbraw/zinc/01/46/32/331014632.db2.gz WOFWJKZTHGMIBN-ZFWWWQNUSA-N 1 1 260.381 2.633 20 30 CFEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451350950 331025235 /nfs/dbraw/zinc/02/52/35/331025235.db2.gz 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C=CC[NH+](CC=C)[C@H](CN[C@H](C)c1ccncn1)C(C)C ZINC000453069662 331086365 /nfs/dbraw/zinc/08/63/65/331086365.db2.gz CCMLZENFSZRLRD-NVXWUHKLSA-N 1 1 288.439 2.826 20 30 CFEDMO C=CC(C)(C)C[NH2+][C@H](c1ncc[nH]1)c1cccnc1 ZINC000453306938 331114133 /nfs/dbraw/zinc/11/41/33/331114133.db2.gz KOTYFLYKLPSTQJ-ZDUSSCGKSA-N 1 1 256.353 2.696 20 30 CFEDMO C=CC(C)(C)CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000454262583 331143155 /nfs/dbraw/zinc/14/31/55/331143155.db2.gz SQFALFZTUAQGSI-KGLIPLIRSA-N 1 1 281.444 2.761 20 30 CFEDMO C=C(C)CCNC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000454499735 331147485 /nfs/dbraw/zinc/14/74/85/331147485.db2.gz ZBNUWXOPVXBFQH-OAHLLOKOSA-N 1 1 289.423 2.772 20 30 CFEDMO C=C(C)CCNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455612842 331173901 /nfs/dbraw/zinc/17/39/01/331173901.db2.gz FXKFFVVDLBWBOO-UHFFFAOYSA-N 1 1 258.325 2.730 20 30 CFEDMO Cc1[nH+]ccn1CC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000457827856 331235713 /nfs/dbraw/zinc/23/57/13/331235713.db2.gz RNMDXDVVSZGJBN-INIZCTEOSA-N 1 1 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C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc2ccccc2o1 ZINC000756542360 574245148 /nfs/dbraw/zinc/24/51/48/574245148.db2.gz HXEYUIRGWQADTK-CQSZACIVSA-N 1 1 283.327 2.687 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc2ccccc2o1 ZINC000756542360 574245152 /nfs/dbraw/zinc/24/51/52/574245152.db2.gz HXEYUIRGWQADTK-CQSZACIVSA-N 1 1 283.327 2.687 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)/C=C(\C)c1ccccc1 ZINC000756544693 574245937 /nfs/dbraw/zinc/24/59/37/574245937.db2.gz VWXMVSCIEMVKMZ-VOGRQWBCSA-N 1 1 283.371 2.731 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1cc(F)c(C)cc1F ZINC000756545777 574245945 /nfs/dbraw/zinc/24/59/45/574245945.db2.gz VKYBQJPOPJJEFU-GFCCVEGCSA-N 1 1 293.313 2.528 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cc(F)c(C)cc1F ZINC000756545777 574245947 /nfs/dbraw/zinc/24/59/47/574245947.db2.gz VKYBQJPOPJJEFU-GFCCVEGCSA-N 1 1 293.313 2.528 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C[C@@H](C)c1ccccc1 ZINC000756556538 574246876 /nfs/dbraw/zinc/24/68/76/574246876.db2.gz 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C[C@@H]1C[C@@H](N=Cc2cc3ccccc3[nH]c2=O)CC[N@H+]1C ZINC000741463302 574291423 /nfs/dbraw/zinc/29/14/23/574291423.db2.gz CTLQHKYSEOGZPQ-LEMBFTOYSA-N 1 1 283.375 2.842 20 30 CFEDMO C=C(Cl)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000749445598 574295533 /nfs/dbraw/zinc/29/55/33/574295533.db2.gz UWSLYHTUDCSHTN-HNNXBMFYSA-N 1 1 264.800 2.945 20 30 CFEDMO CSc1ccc(C(C)=NN2CC[NH+](C)CC2)cc1F ZINC000741760328 574300275 /nfs/dbraw/zinc/30/02/75/574300275.db2.gz XWISAULKHGNWOX-UHFFFAOYSA-N 1 1 281.400 2.519 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000741777857 574302712 /nfs/dbraw/zinc/30/27/12/574302712.db2.gz MLRNOAJZVPTCJR-KBPBESRZSA-N 1 1 280.412 2.777 20 30 CFEDMO N#CCOc1ccc(Cl)cc1C[N@H+]1CCCC[C@@H]1CO ZINC000735308899 574319875 /nfs/dbraw/zinc/31/98/75/574319875.db2.gz XMJIJFDQAAUHJL-CQSZACIVSA-N 1 1 294.782 2.589 20 30 CFEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1CO ZINC000735308899 574319876 /nfs/dbraw/zinc/31/98/76/574319876.db2.gz XMJIJFDQAAUHJL-CQSZACIVSA-N 1 1 294.782 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574405658 /nfs/dbraw/zinc/40/56/58/574405658.db2.gz VGMMMIPGEIHELW-MRXNPFEDSA-N 1 1 257.381 2.878 20 30 CFEDMO CN(C)c1ccc(C[N@H+]2CCC[C@](C)(C#N)C2)cc1 ZINC000753588396 574405659 /nfs/dbraw/zinc/40/56/59/574405659.db2.gz VGMMMIPGEIHELW-MRXNPFEDSA-N 1 1 257.381 2.878 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000935429060 649906903 /nfs/dbraw/zinc/90/69/03/649906903.db2.gz QQWKUIHBAYHHNM-KBPBESRZSA-N 1 1 252.402 2.578 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2nc(Cl)cs2)C1 ZINC001008300531 651146653 /nfs/dbraw/zinc/14/66/53/651146653.db2.gz CUZVAENNQULBHQ-SNVBAGLBSA-N 1 1 299.827 2.567 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001008449846 651149286 /nfs/dbraw/zinc/14/92/86/651149286.db2.gz OOJGIXSFUOZJJW-LSDHHAIUSA-N 1 1 278.440 2.969 20 30 CFEDMO C=C1CC(C)(C(=O)N[C@H]2CCC[N@H+](C[C@@H](C)CC)C2)C1 ZINC001008462264 651149330 /nfs/dbraw/zinc/14/93/30/651149330.db2.gz CEPUTIRSLBPLBX-ZFWWWQNUSA-N 1 1 278.440 2.969 20 30 CFEDMO 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C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC2CCOCC2)C(=O)OC)C1 ZINC000895593365 619565937 /nfs/dbraw/zinc/56/59/37/619565937.db2.gz QEGNUTNDJRWHTC-VNQPRFMTSA-N 1 1 295.423 2.679 20 30 CFEDMO C=CCCCCCNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000895605520 619569129 /nfs/dbraw/zinc/56/91/29/619569129.db2.gz OIMJUEDNODCGOG-GJZGRUSLSA-N 1 1 279.428 2.611 20 30 CFEDMO C#Cc1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000895731187 619593076 /nfs/dbraw/zinc/59/30/76/619593076.db2.gz WWGPZGULENVBKW-LSDHHAIUSA-N 1 1 284.403 2.518 20 30 CFEDMO C=C(C)C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C(=O)OC ZINC000895754767 619599831 /nfs/dbraw/zinc/59/98/31/619599831.db2.gz SNEOBDVFTNPAJN-CRWXNKLISA-N 1 1 251.370 2.663 20 30 CFEDMO C[N@H+]1CCN(Cc2csc(C#N)c2)CCC1(C)C ZINC000895777936 619604744 /nfs/dbraw/zinc/60/47/44/619604744.db2.gz BGOHTQKQHBRLSY-UHFFFAOYSA-N 1 1 263.410 2.536 20 30 CFEDMO Cn1ncc(C[N@@H+](C)CCc2cccc(C#N)c2)c1C1CC1 ZINC000895786439 619606714 /nfs/dbraw/zinc/60/67/14/619606714.db2.gz 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C=CC(C)(C)CCCNC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000896286879 619710425 /nfs/dbraw/zinc/71/04/25/619710425.db2.gz ASZNHGFERBZBPS-CQSZACIVSA-N 1 1 281.444 2.714 20 30 CFEDMO C=C1CCC(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000896390332 619728070 /nfs/dbraw/zinc/72/80/70/619728070.db2.gz PWXSHPJELWIDMY-AWEZNQCLSA-N 1 1 264.413 2.533 20 30 CFEDMO C=C(Br)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000163191622 619760899 /nfs/dbraw/zinc/76/08/99/619760899.db2.gz CFWHVHDWVILTBG-XQQFMLRXSA-N 1 1 288.229 2.911 20 30 CFEDMO C=CCCC[N@H+](C)CN1C[C@@H](c2ccccc2F)CC1=O ZINC000182686057 625367712 /nfs/dbraw/zinc/36/77/12/625367712.db2.gz YKURPXJFHCTUQA-AWEZNQCLSA-N 1 1 290.382 2.997 20 30 CFEDMO CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2CCC[C@@H](C#N)C2)C1 ZINC000896500778 619750341 /nfs/dbraw/zinc/75/03/41/619750341.db2.gz KRBYBSCFSGHZDT-MELADBBJSA-N 1 1 293.411 2.525 20 30 CFEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@@H](C#N)C2)cc1 ZINC000896502960 619751233 /nfs/dbraw/zinc/75/12/33/619751233.db2.gz 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/nfs/dbraw/zinc/41/21/58/620412158.db2.gz DDCBFJHSAQVVSU-WMZOPIPTSA-N 1 1 286.419 2.623 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3=CCCC3)CCC[C@@H]12 ZINC000990223353 620412690 /nfs/dbraw/zinc/41/26/90/620412690.db2.gz PIOAVNPHRRBIOH-WBVHZDCISA-N 1 1 274.408 2.786 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@]2(NC(=O)C3=CCCC3)CCC[C@H]12 ZINC000990223352 620412943 /nfs/dbraw/zinc/41/29/43/620412943.db2.gz PIOAVNPHRRBIOH-RDJZCZTQSA-N 1 1 274.408 2.786 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CC3(C)C)CCC[C@H]12 ZINC000990277015 620414000 /nfs/dbraw/zinc/41/40/00/620414000.db2.gz PJOFWZGKZKHBJE-JKIFEVAISA-N 1 1 276.424 2.722 20 30 CFEDMO C#CC[N@H+]1CC[C@]2(NC(=O)C3=CCCCCC3)CCC[C@H]12 ZINC000990414153 620418890 /nfs/dbraw/zinc/41/88/90/620418890.db2.gz DSDVKBBOZGSEFJ-FUHWJXTLSA-N 1 1 286.419 2.623 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3[nH]ccc3C)CCC[C@H]12 ZINC000990490138 620426402 /nfs/dbraw/zinc/42/64/02/620426402.db2.gz AOVGDLOWMHTOGI-WMLDXEAASA-N 1 1 287.407 2.626 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3sccc3F)CCC[C@@H]12 ZINC000990496811 620426728 /nfs/dbraw/zinc/42/67/28/620426728.db2.gz OPVZHXYQNNHLEC-DOMZBBRYSA-N 1 1 294.395 2.800 20 30 CFEDMO Cc1ccc(C[NH2+][C@@H]2CCCn3ccnc32)cc1C#N ZINC000926961129 620432222 /nfs/dbraw/zinc/43/22/22/620432222.db2.gz HZBKEXRFOZNLOK-OAHLLOKOSA-N 1 1 266.348 2.688 20 30 CFEDMO CCO[C@H](C[NH2+][C@H](CC)c1cccc(C#N)c1)CN(C)C ZINC000926964399 620433764 /nfs/dbraw/zinc/43/37/64/620433764.db2.gz ROAIZOXBJAUFIO-IAGOWNOFSA-N 1 1 289.423 2.566 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)n1 ZINC000898512404 620473205 /nfs/dbraw/zinc/47/32/05/620473205.db2.gz JNEUUZDOLFVSSS-LSDHHAIUSA-N 1 1 285.391 2.592 20 30 CFEDMO C=CC(C)(C)CCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000899126653 620524100 /nfs/dbraw/zinc/52/41/00/620524100.db2.gz SDKDYCYWHZJZNM-LBPRGKRZSA-N 1 1 252.402 2.578 20 30 CFEDMO C=C1CCC(C(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000899171575 620527960 /nfs/dbraw/zinc/52/79/60/620527960.db2.gz CAXZCBFVDFKLIO-UHFFFAOYSA-N 1 1 264.413 2.676 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000899161433 620528005 /nfs/dbraw/zinc/52/80/05/620528005.db2.gz KNKJBJYYSNMWBD-OAHLLOKOSA-N 1 1 299.418 2.637 20 30 CFEDMO CC[C@](C)(C#N)C(=O)N1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000899511897 620576377 /nfs/dbraw/zinc/57/63/77/620576377.db2.gz XAMRVKKHMJOABW-MRXNPFEDSA-N 1 1 288.395 2.672 20 30 CFEDMO C=C(C)c1cccc(NC[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000899916128 620613737 /nfs/dbraw/zinc/61/37/37/620613737.db2.gz GKIRHSPHVZDDFW-INIZCTEOSA-N 1 1 260.381 2.587 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc4occc4[nH]3)CCC[C@H]12 ZINC000990891427 620868900 /nfs/dbraw/zinc/86/89/00/620868900.db2.gz NREHKXJFPDXVHH-RDJZCZTQSA-N 1 1 299.374 2.674 20 30 CFEDMO C[C@@H](NCC[N@@H+]1CCC(C)(C)C1)c1cccc(C#N)c1 ZINC000901685883 620893960 /nfs/dbraw/zinc/89/39/60/620893960.db2.gz RKNPAHQHBDYKQW-CQSZACIVSA-N 1 1 271.408 2.941 20 30 CFEDMO C[C@@H](NCC[N@H+]1CCC(C)(C)C1)c1cccc(C#N)c1 ZINC000901685883 620893965 /nfs/dbraw/zinc/89/39/65/620893965.db2.gz RKNPAHQHBDYKQW-CQSZACIVSA-N 1 1 271.408 2.941 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1)Cn1cc(OC)c(=O)cc1C ZINC000902048825 620964370 /nfs/dbraw/zinc/96/43/70/620964370.db2.gz JKDXMFBSCKOCHW-UHFFFAOYSA-N 1 1 298.386 2.811 20 30 CFEDMO CC(F)(F)CCCO[NH+]=C(N)c1ccc2c(c1)CCO2 ZINC000902303108 621027190 /nfs/dbraw/zinc/02/71/90/621027190.db2.gz FTQAWTSTENEULO-UHFFFAOYSA-N 1 1 284.306 2.694 20 30 CFEDMO C=CC[C@@H]1CCC[N@@H+](CN2Cc3ccccc3C2=O)C1 ZINC000902313022 621030436 /nfs/dbraw/zinc/03/04/36/621030436.db2.gz NVAFAPSMWTXIBL-CQSZACIVSA-N 1 1 270.376 2.888 20 30 CFEDMO CCn1cnc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000902401650 621068225 /nfs/dbraw/zinc/06/82/25/621068225.db2.gz ACCBLIPNKSTTMO-UHFFFAOYSA-N 1 1 266.348 2.554 20 30 CFEDMO C#CC[N@@H+](Cc1cc(C)c(C)cc1O)C1CCN(C)CC1 ZINC000902538284 621113526 /nfs/dbraw/zinc/11/35/26/621113526.db2.gz SAEATVUHGOMVDB-UHFFFAOYSA-N 1 1 286.419 2.538 20 30 CFEDMO C#CCN(Cc1cc(C)c(C)cc1O)C1CC[NH+](C)CC1 ZINC000902538284 621113527 /nfs/dbraw/zinc/11/35/27/621113527.db2.gz SAEATVUHGOMVDB-UHFFFAOYSA-N 1 1 286.419 2.538 20 30 CFEDMO C[C@H](ON=C(N)C[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000902656042 621141667 /nfs/dbraw/zinc/14/16/67/621141667.db2.gz DIEKETWZQVZCTQ-ZDUSSCGKSA-N 1 1 286.379 2.604 20 30 CFEDMO CCC[N@@H+](CCO[C@@H](C)C#N)Cc1ccccc1O ZINC000801925282 621143534 /nfs/dbraw/zinc/14/35/34/621143534.db2.gz KTZADTZQMQIEJW-ZDUSSCGKSA-N 1 1 262.353 2.533 20 30 CFEDMO C=CCO[NH+]=C(N)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000902671910 621144771 /nfs/dbraw/zinc/14/47/71/621144771.db2.gz DCQNYEZZJQNCCI-UHFFFAOYSA-N 1 1 297.399 2.708 20 30 CFEDMO C=CCCC[N@H+](CC)Cn1cc(Br)cn1 ZINC000902669868 621148617 /nfs/dbraw/zinc/14/86/17/621148617.db2.gz SDEQXXNLRLCCCB-UHFFFAOYSA-N 1 1 272.190 2.891 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)c1ccccn1 ZINC000902721161 621156658 /nfs/dbraw/zinc/15/66/58/621156658.db2.gz VGICSFVAHHPSQF-NEPJUHHUSA-N 1 1 252.321 2.760 20 30 CFEDMO C[C@@H](NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902746463 621163786 /nfs/dbraw/zinc/16/37/86/621163786.db2.gz HZZKFNIVVZZBMF-QLFBSQMISA-N 1 1 286.423 2.724 20 30 CFEDMO C[C@@H]([NH2+]C[C@H](C)N1CCC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902746463 621163789 /nfs/dbraw/zinc/16/37/89/621163789.db2.gz HZZKFNIVVZZBMF-QLFBSQMISA-N 1 1 286.423 2.724 20 30 CFEDMO CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(C#N)c1 ZINC000902752075 621164846 /nfs/dbraw/zinc/16/48/46/621164846.db2.gz GCSXEQKDRVOOAR-WBVHZDCISA-N 1 1 271.408 2.941 20 30 CFEDMO CCCn1cc([C@@H](C)[NH2+][C@@H](C)c2cccc(C#N)c2)nn1 ZINC000902827692 621182894 /nfs/dbraw/zinc/18/28/94/621182894.db2.gz MZIJVTWXZAVYNJ-QWHCGFSZSA-N 1 1 283.379 2.972 20 30 CFEDMO CCC1(CC(N)=[NH+]OCc2ccc(C#N)cc2F)COC1 ZINC000902874802 621194461 /nfs/dbraw/zinc/19/44/61/621194461.db2.gz LWSVMGFNGGENLD-UHFFFAOYSA-N 1 1 291.326 2.513 20 30 CFEDMO C=CCC[C@@H]([NH2+]CCc1n[nH]c(C)n1)[C@]1(C)CCCCO1 ZINC000902944913 621207475 /nfs/dbraw/zinc/20/74/75/621207475.db2.gz NSCVDVPQEVLMBC-ZBFHGGJFSA-N 1 1 292.427 2.539 20 30 CFEDMO C=CCC[C@@H]([NH2+]CCc1nnc(C)[nH]1)[C@]1(C)CCCCO1 ZINC000902944913 621207477 /nfs/dbraw/zinc/20/74/77/621207477.db2.gz NSCVDVPQEVLMBC-ZBFHGGJFSA-N 1 1 292.427 2.539 20 30 CFEDMO C[C@H](NCC[N@H+]1CCCC(C)(C)C1)c1cc(C#N)ccn1 ZINC000902973072 621221050 /nfs/dbraw/zinc/22/10/50/621221050.db2.gz NQONSHPOZPMHSS-AWEZNQCLSA-N 1 1 286.423 2.726 20 30 CFEDMO C[C@H]([NH2+]CCN1CCCC(C)(C)C1)c1cc(C#N)ccn1 ZINC000902973072 621221051 /nfs/dbraw/zinc/22/10/51/621221051.db2.gz NQONSHPOZPMHSS-AWEZNQCLSA-N 1 1 286.423 2.726 20 30 CFEDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000903030995 621229921 /nfs/dbraw/zinc/22/99/21/621229921.db2.gz AMCOERXPINLRDN-LLVKDONJSA-N 1 1 288.347 2.523 20 30 CFEDMO Cc1cc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)cc(C)n1 ZINC000903023330 621233868 /nfs/dbraw/zinc/23/38/68/621233868.db2.gz PTCDXIVYZNDJCB-ZDUSSCGKSA-N 1 1 266.348 2.816 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903027712 621235084 /nfs/dbraw/zinc/23/50/84/621235084.db2.gz VZXVCGXILPXTRA-CJNGLKHVSA-N 1 1 293.374 2.596 20 30 CFEDMO COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC(C)(C)C#N ZINC000903100548 621252724 /nfs/dbraw/zinc/25/27/24/621252724.db2.gz SGYBSSYTPKCUGG-NSHDSACASA-N 1 1 289.379 2.854 20 30 CFEDMO C[NH2+]C[C@@H]1CCCN(Cc2c(C)cc(C#N)cc2C)C1 ZINC000903420934 621378738 /nfs/dbraw/zinc/37/87/38/621378738.db2.gz GYEHQNFNKWDLNZ-HNNXBMFYSA-N 1 1 271.408 2.607 20 30 CFEDMO N#CC1(CCCC[N@@H+]2CC[C@H]3CC[C@]32CN)CCC1 ZINC000903863164 621459066 /nfs/dbraw/zinc/45/90/66/621459066.db2.gz JPHZQFFEWDCMFD-ZBFHGGJFSA-N 1 1 261.413 2.664 20 30 CFEDMO N#CC1(CCCCN2CC[C@H]3CC[C@]32C[NH3+])CCC1 ZINC000903863164 621459069 /nfs/dbraw/zinc/45/90/69/621459069.db2.gz JPHZQFFEWDCMFD-ZBFHGGJFSA-N 1 1 261.413 2.664 20 30 CFEDMO C[N@@H+](CC(=O)N(O)Cc1ccccc1Cl)C1CCC1 ZINC000904193291 621546958 /nfs/dbraw/zinc/54/69/58/621546958.db2.gz NKINMNDHYUYYQY-UHFFFAOYSA-N 1 1 282.771 2.542 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ccc(O)cc2F)no1 ZINC000904688940 621622825 /nfs/dbraw/zinc/62/28/25/621622825.db2.gz FMGFEGIVQVNMBF-GFCCVEGCSA-N 1 1 277.299 2.937 20 30 CFEDMO C[N@H+]1CC[C@@H]1C/N=C\c1c(O)ccc2ccccc21 ZINC000905001900 621680170 /nfs/dbraw/zinc/68/01/70/621680170.db2.gz CWKBKOLQVRLHDK-GPLLRDDGSA-N 1 1 254.333 2.668 20 30 CFEDMO C=CCn1cccc1C(=O)N[C@@]12CCC[C@H]1[N@@H+](CC=C)CC2 ZINC000991065483 621803958 /nfs/dbraw/zinc/80/39/58/621803958.db2.gz FNRXDMGGUHVOBV-SJLPKXTDSA-N 1 1 299.418 2.587 20 30 CFEDMO C=CC[C@H]([NH2+]CC[C@@]1(C)CC1(Cl)Cl)C(=O)OC ZINC000905771584 621861122 /nfs/dbraw/zinc/86/11/22/621861122.db2.gz SZZDXBZXGWNVPO-ONGXEEELSA-N 1 1 280.195 2.668 20 30 CFEDMO CC[C@](O)(C[N@@H+](C)Cc1ccc(C#N)cc1)C(F)(F)F ZINC000905903593 621893312 /nfs/dbraw/zinc/89/33/12/621893312.db2.gz HYAPWFDAQDYAED-ZDUSSCGKSA-N 1 1 286.297 2.693 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000905966233 621906942 /nfs/dbraw/zinc/90/69/42/621906942.db2.gz MLBXUACUEXEMCZ-RHSMWYFYSA-N 1 1 299.418 2.857 20 30 CFEDMO N#CC1(C[C@H](O)C[N@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)CCC1 ZINC000905956493 621911519 /nfs/dbraw/zinc/91/15/19/621911519.db2.gz MJVBIGTZMDPPOU-XHSDSOJGSA-N 1 1 274.408 2.552 20 30 CFEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CCC3)[C@@H]2C2CC2)CCC1 ZINC000905957735 621911664 /nfs/dbraw/zinc/91/16/64/621911664.db2.gz OSGYJWLQOZGRMR-GJZGRUSLSA-N 1 1 274.408 2.696 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)c2ccsc2C#N)C1 ZINC000907136584 622089906 /nfs/dbraw/zinc/08/99/06/622089906.db2.gz KUPYGCAOJNXECM-CQSZACIVSA-N 1 1 297.383 2.536 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)c2ccsc2C#N)C1 ZINC000907136584 622089909 /nfs/dbraw/zinc/08/99/09/622089909.db2.gz KUPYGCAOJNXECM-CQSZACIVSA-N 1 1 297.383 2.536 20 30 CFEDMO C=CCC(C)(C)CNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000908396911 622226953 /nfs/dbraw/zinc/22/69/53/622226953.db2.gz JYYIDECQJGLCNM-UONOGXRCSA-N 1 1 264.413 2.722 20 30 CFEDMO C(=[NH+]Nc1ccccc1)c1ccccc1N1CCOCC1 ZINC000912773669 622774543 /nfs/dbraw/zinc/77/45/43/622774543.db2.gz LEICDMAWKWOZPL-UHFFFAOYSA-N 1 1 281.359 2.969 20 30 CFEDMO C=CC(C)(C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000912974795 622809816 /nfs/dbraw/zinc/80/98/16/622809816.db2.gz XEVKPRWCRXMAQD-KGLIPLIRSA-N 1 1 264.413 2.722 20 30 CFEDMO C=CCC1(C(=O)O[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCOCC1 ZINC000821000085 622816360 /nfs/dbraw/zinc/81/63/60/622816360.db2.gz XVKGZNLAVZLKBD-LSDHHAIUSA-N 1 1 293.407 2.529 20 30 CFEDMO C=CCC1(C(=O)N2C[C@]3(C)C[N@H+](C)C[C@]3(C)C2)CCCC1 ZINC000913276940 622870935 /nfs/dbraw/zinc/87/09/35/622870935.db2.gz OYMDYYNMLXAEMO-CALCHBBNSA-N 1 1 290.451 2.923 20 30 CFEDMO N#Cc1cc(F)cc(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC000913431051 622901399 /nfs/dbraw/zinc/90/13/99/622901399.db2.gz OZQSYKZTMJCZAH-HUUCEWRRSA-N 1 1 287.338 2.653 20 30 CFEDMO C[C@@H](C#N)C[N@H+](C)C1CC(OCc2ccccc2)C1 ZINC000821367861 622905610 /nfs/dbraw/zinc/90/56/10/622905610.db2.gz 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C#CC[C@H]1CCC[N@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000829815644 624553578 /nfs/dbraw/zinc/55/35/78/624553578.db2.gz QCTAIKJZGVFVNF-DOTOQJQBSA-N 1 1 257.377 2.845 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000829815589 624553828 /nfs/dbraw/zinc/55/38/28/624553828.db2.gz OVEBZQZRGLLYAD-ZDUSSCGKSA-N 1 1 256.324 2.933 20 30 CFEDMO N#CC1CCC(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000930071575 624563824 /nfs/dbraw/zinc/56/38/24/624563824.db2.gz IXJSEQRXPKDPBQ-FJBKBRRZSA-N 1 1 262.397 2.675 20 30 CFEDMO NC(=[NH+]OCc1cccc(Cl)c1)C1CCOCC1 ZINC000112087471 624594283 /nfs/dbraw/zinc/59/42/83/624594283.db2.gz RZRGLVDJISCVNX-UHFFFAOYSA-N 1 1 268.744 2.555 20 30 CFEDMO N#CC[C@@]1(O)CC[N@H+]([C@@H]2CCc3cc(Cl)ccc32)C1 ZINC000829998028 624596835 /nfs/dbraw/zinc/59/68/35/624596835.db2.gz GOCJNFUVYPFFHE-HUUCEWRRSA-N 1 1 276.767 2.678 20 30 CFEDMO C=C(C)CNC(=S)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000919718300 624604665 /nfs/dbraw/zinc/60/46/65/624604665.db2.gz CUUONSRZKZWPME-OKILXGFUSA-N 1 1 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295.390 2.787 20 30 CFEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000852099495 634653054 /nfs/dbraw/zinc/65/30/54/634653054.db2.gz ALPVQSDANDVDIN-BDJLRTHQSA-N 1 1 269.348 2.788 20 30 CFEDMO Cc1ccc(-c2cccc(C=NNC3=[NH+]C[C@H](C)N3)c2)cc1 ZINC000779797322 628407623 /nfs/dbraw/zinc/40/76/23/628407623.db2.gz FMTOBCTYFLEYOZ-AWEZNQCLSA-N 1 1 292.386 2.933 20 30 CFEDMO COc1ccc(C=NNc2cc[nH+]cc2)c(Cl)c1 ZINC000779806643 628408027 /nfs/dbraw/zinc/40/80/27/628408027.db2.gz DZUAQODYSAXXNI-UHFFFAOYSA-N 1 1 261.712 2.612 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1c(C)nn(C(C)C)c1C ZINC000779807113 628408060 /nfs/dbraw/zinc/40/80/60/628408060.db2.gz NQNSVIIHARBWQA-UHFFFAOYSA-N 1 1 271.368 2.734 20 30 CFEDMO CCN(C)c1ccc(C(C)=[NH+][N-]c2cc[nH+]cc2)cc1 ZINC000779807499 628408374 /nfs/dbraw/zinc/40/83/74/628408374.db2.gz ZITNBHFFSFOQOD-UHFFFAOYSA-N 1 1 268.364 2.796 20 30 CFEDMO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(-c2ccccc2)o1 ZINC000779805704 628408378 /nfs/dbraw/zinc/40/83/78/628408378.db2.gz QWGNZBYGGXLIKS-NSHDSACASA-N 1 1 282.347 2.608 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1ccc2ccccc2n1 ZINC000779807438 628408381 /nfs/dbraw/zinc/40/83/81/628408381.db2.gz XBCLVMXCDQEIKG-UHFFFAOYSA-N 1 1 262.316 2.888 20 30 CFEDMO FC(F)(F)Oc1ccccc1C=NNc1cc[nH+]cc1 ZINC000779808037 628408641 /nfs/dbraw/zinc/40/86/41/628408641.db2.gz BDSLYWIIWQDOKZ-UHFFFAOYSA-N 1 1 281.237 2.848 20 30 CFEDMO COc1ccc(C=NNc2cc[nH+]cc2)c(OC(F)F)c1 ZINC000779808551 628408698 /nfs/dbraw/zinc/40/86/98/628408698.db2.gz CDLICABAFQUENC-UHFFFAOYSA-N 1 1 293.273 2.560 20 30 CFEDMO CCc1nc2c(s1)C(=NNc1cc[nH+]cc1)CCC2 ZINC000779809706 628409307 /nfs/dbraw/zinc/40/93/07/628409307.db2.gz SPUMJTLTHFAVLG-UHFFFAOYSA-N 1 1 272.377 2.675 20 30 CFEDMO COc1cc(C)c(C(C)=NNc2cc[nH+]cc2)cc1OC ZINC000779811403 628409809 /nfs/dbraw/zinc/40/98/09/628409809.db2.gz GQLKLSDMRUMFPG-UHFFFAOYSA-N 1 1 285.347 2.665 20 30 CFEDMO COc1nc2ccccc2cc1C=NNc1cc[nH+]cc1 ZINC000779812623 628409919 /nfs/dbraw/zinc/40/99/19/628409919.db2.gz VDECPZLLLLOFMJ-UHFFFAOYSA-N 1 1 278.315 2.506 20 30 CFEDMO C#CCCCCCC(=O)Nc1c[nH+]ccc1-n1cccn1 ZINC000779918987 628418194 /nfs/dbraw/zinc/41/81/94/628418194.db2.gz YWZGSBONAXGPRQ-UHFFFAOYSA-N 1 1 282.347 2.790 20 30 CFEDMO C#CCCCCCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000779987752 628425084 /nfs/dbraw/zinc/42/50/84/628425084.db2.gz FXHNOQHQZYXYBP-CVEARBPZSA-N 1 1 276.424 2.513 20 30 CFEDMO C#CCCCCCC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000780024772 628427886 /nfs/dbraw/zinc/42/78/86/628427886.db2.gz TVVMEEWVWOBENB-UHFFFAOYSA-N 1 1 259.353 2.670 20 30 CFEDMO C#C[C@](C)(CC)[NH2+][C@H](C(=O)NC1CC1)c1ccc(F)cc1 ZINC000852100677 634655290 /nfs/dbraw/zinc/65/52/90/634655290.db2.gz JCSZPQHXABDEMZ-DOTOQJQBSA-N 1 1 288.366 2.537 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000852102777 634657839 /nfs/dbraw/zinc/65/78/39/634657839.db2.gz PSGNFDXLJJDDCW-CJNGLKHVSA-N 1 1 268.364 2.720 20 30 CFEDMO C#CCCCCCC(=O)NCC[N@H+](C)C1CCCC1 ZINC000780480196 628467866 /nfs/dbraw/zinc/46/78/66/628467866.db2.gz QEGWGSUEYKYXOX-UHFFFAOYSA-N 1 1 264.413 2.561 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)c(F)c(F)c2)nc1 ZINC000780559243 628476523 /nfs/dbraw/zinc/47/65/23/628476523.db2.gz YKOPBUDGJFYCSY-UHFFFAOYSA-N 1 1 277.249 2.660 20 30 CFEDMO C#C[C@](C)(CC)[NH2+]Cc1ccn(-c2ccccc2F)n1 ZINC000852103629 634659014 /nfs/dbraw/zinc/65/90/14/634659014.db2.gz NAPBZOGCEIBTSV-MRXNPFEDSA-N 1 1 271.339 2.903 20 30 CFEDMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1C#N)C2 ZINC000852108754 634660210 /nfs/dbraw/zinc/66/02/10/634660210.db2.gz MAQGQVTXYOAWEK-QGZVFWFLSA-N 1 1 287.382 2.615 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000852102776 634657332 /nfs/dbraw/zinc/65/73/32/634657332.db2.gz PSGNFDXLJJDDCW-BBRMVZONSA-N 1 1 268.364 2.720 20 30 CFEDMO C[C@@H](NCC[N@H+]1CCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000781420605 628547519 /nfs/dbraw/zinc/54/75/19/628547519.db2.gz BTUKUBIAWXIPBD-QWHCGFSZSA-N 1 1 275.371 2.832 20 30 CFEDMO C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(C#N)cc1F ZINC000781420605 628547522 /nfs/dbraw/zinc/54/75/22/628547522.db2.gz BTUKUBIAWXIPBD-QWHCGFSZSA-N 1 1 275.371 2.832 20 30 CFEDMO C#CCOCC[N@@H+]1CCC[C@H]1c1ccc(F)cc1C ZINC000852147359 634670976 /nfs/dbraw/zinc/67/09/76/634670976.db2.gz CABHEGHFEUVJEA-INIZCTEOSA-N 1 1 261.340 2.921 20 30 CFEDMO C#CCOCC[N@H+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000852160513 634676343 /nfs/dbraw/zinc/67/63/43/634676343.db2.gz HKCPOBXKNAILLW-SJORKVTESA-N 1 1 257.377 2.904 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(CNCC2([NH+](C)C)CCC2)cc1 ZINC000782536215 628643799 /nfs/dbraw/zinc/64/37/99/628643799.db2.gz RHEKBPDGYHQSMF-AWEZNQCLSA-N 1 1 287.407 2.551 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cc1O ZINC000783300094 628698900 /nfs/dbraw/zinc/69/89/00/628698900.db2.gz IDQSUSYDHMEBSA-JTQLQIEISA-N 1 1 271.295 2.649 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccnc(Cl)c1 ZINC000783301019 628698979 /nfs/dbraw/zinc/69/89/79/628698979.db2.gz SDMYKZBQKNOMKM-JTQLQIEISA-N 1 1 272.739 2.852 20 30 CFEDMO CC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccc(C#N)c(C)c1 ZINC000783779366 628745749 /nfs/dbraw/zinc/74/57/49/628745749.db2.gz UJTLYLWQNOJICD-INIZCTEOSA-N 1 1 286.375 2.784 20 30 CFEDMO CC[N@H+]1CCCC[C@H]1C(=O)OCc1ccc(C#N)c(C)c1 ZINC000783779366 628745752 /nfs/dbraw/zinc/74/57/52/628745752.db2.gz UJTLYLWQNOJICD-INIZCTEOSA-N 1 1 286.375 2.784 20 30 CFEDMO C=C(C)C[N@H+](C)CN1C[C@H](c2cccc(C)c2)CC1=O ZINC000783991999 628759893 /nfs/dbraw/zinc/75/98/93/628759893.db2.gz IHPWQDIFLWTENL-MRXNPFEDSA-N 1 1 272.392 2.776 20 30 CFEDMO C=C(C)C[N@@H+](C)CN1C[C@H](c2cccc(C)c2)CC1=O ZINC000783991999 628759895 /nfs/dbraw/zinc/75/98/95/628759895.db2.gz IHPWQDIFLWTENL-MRXNPFEDSA-N 1 1 272.392 2.776 20 30 CFEDMO C[C@H]1CCOCC[N@@H+]1Cc1ccc(C#N)cc1Cl ZINC000784354394 628809017 /nfs/dbraw/zinc/80/90/17/628809017.db2.gz WAULGAOTBKULOR-NSHDSACASA-N 1 1 264.756 2.822 20 30 CFEDMO C[C@H]1CCOCC[N@H+]1Cc1ccc(C#N)cc1Cl ZINC000784354394 628809018 /nfs/dbraw/zinc/80/90/18/628809018.db2.gz WAULGAOTBKULOR-NSHDSACASA-N 1 1 264.756 2.822 20 30 CFEDMO CC#CC[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784503651 628822630 /nfs/dbraw/zinc/82/26/30/628822630.db2.gz DYVVDBYHUBTDIU-RRFJBIMHSA-N 1 1 292.423 2.635 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805764062 628830139 /nfs/dbraw/zinc/83/01/39/628830139.db2.gz UXMSRSQWSQTTKB-ZDUSSCGKSA-N 1 1 268.401 2.942 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](CCN2C[C@@H](C)C[C@H](C)C2)C1 ZINC000852206235 634688034 /nfs/dbraw/zinc/68/80/34/634688034.db2.gz FITVZHFNVPZNJB-YESZJQIVSA-N 1 1 262.441 2.700 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](CCN2C[C@@H](C)C[C@H](C)C2)C1 ZINC000852206235 634688038 /nfs/dbraw/zinc/68/80/38/634688038.db2.gz FITVZHFNVPZNJB-YESZJQIVSA-N 1 1 262.441 2.700 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cnc(-c2ccco2)s1)[C@H]1CCCO1 ZINC000785513990 628890506 /nfs/dbraw/zinc/89/05/06/628890506.db2.gz QMCQNXDUGWHISA-CHWSQXEVSA-N 1 1 288.372 2.674 20 30 CFEDMO C[C@H](C#N)OCC[N@H+](CCN1CCCCCC1)C1CCC1 ZINC000805789206 628918585 /nfs/dbraw/zinc/91/85/85/628918585.db2.gz YCUZEDAGUUOYNI-MRXNPFEDSA-N 1 1 293.455 2.646 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+](CCN1CCCCCC1)C1CCC1 ZINC000805789206 628918589 /nfs/dbraw/zinc/91/85/89/628918589.db2.gz YCUZEDAGUUOYNI-MRXNPFEDSA-N 1 1 293.455 2.646 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1cc(OC)ccc1OC ZINC000785997208 628928953 /nfs/dbraw/zinc/92/89/53/628928953.db2.gz KBVZPIYIZBGXNH-BBRMVZONSA-N 1 1 291.391 2.778 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000785999071 628929681 /nfs/dbraw/zinc/92/96/81/628929681.db2.gz QEJCHMJOJQTBJY-HIFRSBDPSA-N 1 1 276.336 2.669 20 30 CFEDMO C=CCC[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000786100956 628937308 /nfs/dbraw/zinc/93/73/08/628937308.db2.gz CLZLTANXCQKTFU-UHFFFAOYSA-N 1 1 286.335 2.924 20 30 CFEDMO C=CCCCCC[N@@H+]1CCCC[C@H]1COC(=O)NC ZINC000805828904 629000445 /nfs/dbraw/zinc/00/04/45/629000445.db2.gz SRGOIVLQPQBKBR-AWEZNQCLSA-N 1 1 268.401 2.943 20 30 CFEDMO FC(F)C(F)(F)COCC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000787271890 629003401 /nfs/dbraw/zinc/00/34/01/629003401.db2.gz MHYHBUSAOORXEG-ZETCQYMHSA-N 1 1 297.214 2.788 20 30 CFEDMO CC[C@@H](C)Oc1cc(C[NH2+]CCC#N)ccc1OC ZINC000787298145 629005432 /nfs/dbraw/zinc/00/54/32/629005432.db2.gz HCWKYRXLXSCDMW-GFCCVEGCSA-N 1 1 262.353 2.876 20 30 CFEDMO C#CC[N@H+](CC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000787406400 629011610 /nfs/dbraw/zinc/01/16/10/629011610.db2.gz KQOWKFOEKOORQI-RAXLEYEMSA-N 1 1 258.321 2.953 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CCOc1ccc(OCC)cc1 ZINC000788000134 629047206 /nfs/dbraw/zinc/04/72/06/629047206.db2.gz QNQYINIEGMMLDZ-UHFFFAOYSA-N 1 1 261.365 2.808 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CCCOc1ccc(OC)cc1 ZINC000787998854 629047561 /nfs/dbraw/zinc/04/75/61/629047561.db2.gz KBGLKUVTCYAEBM-UHFFFAOYSA-N 1 1 261.365 2.808 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000787997768 629047603 /nfs/dbraw/zinc/04/76/03/629047603.db2.gz RKKDAYUVUYLKLZ-UHFFFAOYSA-N 1 1 258.365 2.586 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000787997768 629047605 /nfs/dbraw/zinc/04/76/05/629047605.db2.gz RKKDAYUVUYLKLZ-UHFFFAOYSA-N 1 1 258.365 2.586 20 30 CFEDMO CC#CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000788305487 629057248 /nfs/dbraw/zinc/05/72/48/629057248.db2.gz BZEUFIGDOJLVJY-OAHLLOKOSA-N 1 1 276.424 2.513 20 30 CFEDMO Clc1cccc(N2CCCC2)c1C=[NH+]N[C@H]1CCOC1 ZINC000788456267 629070176 /nfs/dbraw/zinc/07/01/76/629070176.db2.gz LLXLIVSLPGJFRW-LBPRGKRZSA-N 1 1 293.798 2.653 20 30 CFEDMO C#CCC1(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)CCCCC1 ZINC000788528721 629078959 /nfs/dbraw/zinc/07/89/59/629078959.db2.gz OFGBBZGUYSBLLO-INIZCTEOSA-N 1 1 290.451 2.949 20 30 CFEDMO C#CC[N@@H+](Cc1nccc(OC)c1OC)C1CCCCC1 ZINC000789312630 629146688 /nfs/dbraw/zinc/14/66/88/629146688.db2.gz SPKOZDQYPJKLTQ-UHFFFAOYSA-N 1 1 288.391 2.867 20 30 CFEDMO C#CC[N@H+](Cc1nccc(OC)c1OC)C1CCCCC1 ZINC000789312630 629146691 /nfs/dbraw/zinc/14/66/91/629146691.db2.gz SPKOZDQYPJKLTQ-UHFFFAOYSA-N 1 1 288.391 2.867 20 30 CFEDMO CCC#C[C@@H](C)[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789526380 629163687 /nfs/dbraw/zinc/16/36/87/629163687.db2.gz WBYYHDPEFGZDNK-WBVHZDCISA-N 1 1 284.403 2.521 20 30 CFEDMO CCC#C[C@@H](C)[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000789526380 629163690 /nfs/dbraw/zinc/16/36/90/629163690.db2.gz WBYYHDPEFGZDNK-WBVHZDCISA-N 1 1 284.403 2.521 20 30 CFEDMO CC(C)N(C)c1ccc(C=[NH+]OCc2cccnc2)cn1 ZINC000790171722 629215954 /nfs/dbraw/zinc/21/59/54/629215954.db2.gz HFRMYOSVTYITIY-UHFFFAOYSA-N 1 1 284.363 2.872 20 30 CFEDMO CC[C@H](C)NN=C(C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000790183860 629216666 /nfs/dbraw/zinc/21/66/66/629216666.db2.gz WFAFDZOYOBJMMC-WMLDXEAASA-N 1 1 289.423 2.651 20 30 CFEDMO CC[C@H](C)NN=C(C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000790183860 629216670 /nfs/dbraw/zinc/21/66/70/629216670.db2.gz WFAFDZOYOBJMMC-WMLDXEAASA-N 1 1 289.423 2.651 20 30 CFEDMO CC[C@H](C)NN=C(C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000790183861 629216808 /nfs/dbraw/zinc/21/68/08/629216808.db2.gz WFAFDZOYOBJMMC-YOEHRIQHSA-N 1 1 289.423 2.651 20 30 CFEDMO CC[C@H](C)NN=C(C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000790183861 629216812 /nfs/dbraw/zinc/21/68/12/629216812.db2.gz WFAFDZOYOBJMMC-YOEHRIQHSA-N 1 1 289.423 2.651 20 30 CFEDMO CC[C@H](C)N[NH+]=C(C)c1c(F)cccc1N1CCOCC1 ZINC000790188906 629218262 /nfs/dbraw/zinc/21/82/62/629218262.db2.gz IUTPSCSNMXTXPE-LBPRGKRZSA-N 1 1 293.386 2.774 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1nccn1C ZINC000790299575 629226736 /nfs/dbraw/zinc/22/67/36/629226736.db2.gz FHROUDTXBMIBHH-AWEZNQCLSA-N 1 1 297.406 2.730 20 30 CFEDMO C=CC[N@@H+](CN1Cc2ccc(OC)cc2C1=O)C(C)C ZINC000790438097 629239133 /nfs/dbraw/zinc/23/91/33/629239133.db2.gz QMZIRPNOUUJGRV-UHFFFAOYSA-N 1 1 274.364 2.505 20 30 CFEDMO C=CC[N@H+](CN1Cc2ccc(OC)cc2C1=O)C(C)C ZINC000790438097 629239136 /nfs/dbraw/zinc/23/91/36/629239136.db2.gz QMZIRPNOUUJGRV-UHFFFAOYSA-N 1 1 274.364 2.505 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000852319596 634718930 /nfs/dbraw/zinc/71/89/30/634718930.db2.gz PWCOMMBTZLIGEE-XHDPSFHLSA-N 1 1 280.318 2.624 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2F)C1 ZINC000852319596 634718940 /nfs/dbraw/zinc/71/89/40/634718940.db2.gz PWCOMMBTZLIGEE-XHDPSFHLSA-N 1 1 280.318 2.624 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](Cc2cccc3nsnc32)C1 ZINC000852318983 634719020 /nfs/dbraw/zinc/71/90/20/634719020.db2.gz DDTOYVJJNQPADY-LLVKDONJSA-N 1 1 272.377 2.817 20 30 CFEDMO C#Cc1cccc(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000790483820 629242764 /nfs/dbraw/zinc/24/27/64/629242764.db2.gz UADLPNPICZQTHV-INIZCTEOSA-N 1 1 299.418 2.910 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](CCOc2cccc(F)c2)C1 ZINC000852319546 634719807 /nfs/dbraw/zinc/71/98/07/634719807.db2.gz OPIZQTZCPAQDQE-CYBMUJFWSA-N 1 1 262.328 2.830 20 30 CFEDMO C#CC[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000852319869 634721314 /nfs/dbraw/zinc/72/13/14/634721314.db2.gz STYBBUOBTGPDOQ-HNNXBMFYSA-N 1 1 271.360 2.561 20 30 CFEDMO C#CC[N@H+]1Cc2ccccc2[C@@H](C(=O)OC(C)(C)C)C1 ZINC000852319869 634721320 /nfs/dbraw/zinc/72/13/20/634721320.db2.gz STYBBUOBTGPDOQ-HNNXBMFYSA-N 1 1 271.360 2.561 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(F)c2)C1 ZINC000852319926 634721521 /nfs/dbraw/zinc/72/15/21/634721521.db2.gz TYAVRZRLZNUMDM-XHDPSFHLSA-N 1 1 280.318 2.624 20 30 CFEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000852332849 634725340 /nfs/dbraw/zinc/72/53/40/634725340.db2.gz WHDHUJBSHLJCRE-AEFFLSMTSA-N 1 1 299.418 2.898 20 30 CFEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000852332849 634725346 /nfs/dbraw/zinc/72/53/46/634725346.db2.gz WHDHUJBSHLJCRE-AEFFLSMTSA-N 1 1 299.418 2.898 20 30 CFEDMO C#CCC[NH+]1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 ZINC000791619701 629339634 /nfs/dbraw/zinc/33/96/34/629339634.db2.gz MUFWKSPRGKYFOF-INIZCTEOSA-N 1 1 287.794 2.546 20 30 CFEDMO C=CC[N@@H+](C/C=C/c1ccc(N(C)C)cc1)CCOC ZINC000835049298 629347745 /nfs/dbraw/zinc/34/77/45/629347745.db2.gz CSZKRXXYZDNLHN-VOTSOKGWSA-N 1 1 274.408 2.900 20 30 CFEDMO C#C[C@H](CCC)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000791744969 629351681 /nfs/dbraw/zinc/35/16/81/629351681.db2.gz JGDXJPVODMCGSC-IAGOWNOFSA-N 1 1 284.403 2.569 20 30 CFEDMO C=CC[N@H+](Cc1cnc(Cl)c(F)c1)[C@@H](C)COC ZINC000852356617 634730815 /nfs/dbraw/zinc/73/08/15/634730815.db2.gz JTCXDSSJDOAUDQ-JTQLQIEISA-N 1 1 272.751 2.897 20 30 CFEDMO C=CC[N@@H+](Cc1cnc(Cl)c(F)c1)[C@@H](C)COC ZINC000852356617 634730821 /nfs/dbraw/zinc/73/08/21/634730821.db2.gz JTCXDSSJDOAUDQ-JTQLQIEISA-N 1 1 272.751 2.897 20 30 CFEDMO CCCCCCCCC[N@@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000792299139 629419278 /nfs/dbraw/zinc/41/92/78/629419278.db2.gz MVWRHMFIUCWGRU-CABCVRRESA-N 1 1 285.428 2.735 20 30 CFEDMO CCCCCCCCC[N@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000792299139 629419281 /nfs/dbraw/zinc/41/92/81/629419281.db2.gz MVWRHMFIUCWGRU-CABCVRRESA-N 1 1 285.428 2.735 20 30 CFEDMO CCn1ccc(C[N@@H+](C)C[C@H](O)c2ccc(C#N)cc2)c1 ZINC000792314209 629420144 /nfs/dbraw/zinc/42/01/44/629420144.db2.gz XOYSUCUUBCKKDR-KRWDZBQOSA-N 1 1 283.375 2.545 20 30 CFEDMO C#C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000852392495 634737354 /nfs/dbraw/zinc/73/73/54/634737354.db2.gz MKJWTWNLLKGPIU-JKSUJKDBSA-N 1 1 299.418 2.533 20 30 CFEDMO C[C@@]12CC[N@@H+](Cc3ccnc(C#N)c3)C[C@@H]1C2(Cl)Cl ZINC000792910240 629464596 /nfs/dbraw/zinc/46/45/96/629464596.db2.gz ZJJANGHNWYOKOV-QWHCGFSZSA-N 1 1 296.201 2.969 20 30 CFEDMO CN(C)c1ccc(C[NH2+]CCC#N)c(C(F)(F)F)c1 ZINC000793189162 629501930 /nfs/dbraw/zinc/50/19/30/629501930.db2.gz SMQONUIHUJVHFR-UHFFFAOYSA-N 1 1 271.286 2.775 20 30 CFEDMO C[C@H]1CC(N=Nc2ncncc2F)C[N@H+]1Cc1ccccc1 ZINC000793225159 629508752 /nfs/dbraw/zinc/50/87/52/629508752.db2.gz IDQNOPCKUOAABL-LBPRGKRZSA-N 1 1 299.353 2.678 20 30 CFEDMO C=CCC1(C(=O)OCC[NH+]2CCSCC2)CCCC1 ZINC000835214447 629529453 /nfs/dbraw/zinc/52/94/53/629529453.db2.gz SJGXZZVPPOLRMZ-UHFFFAOYSA-N 1 1 283.437 2.715 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+](CCO)Cc1ccc(C)o1 ZINC000793365821 629532013 /nfs/dbraw/zinc/53/20/13/629532013.db2.gz OUYPXDGPYURXEA-UHFFFAOYSA-N 1 1 299.370 2.595 20 30 CFEDMO C#CCOc1ccccc1C[N@H+](CCO)Cc1ccc(C)o1 ZINC000793365821 629532019 /nfs/dbraw/zinc/53/20/19/629532019.db2.gz OUYPXDGPYURXEA-UHFFFAOYSA-N 1 1 299.370 2.595 20 30 CFEDMO C[C@@H]1CC[N@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C[C@@H]1C ZINC000793512525 629558406 /nfs/dbraw/zinc/55/84/06/629558406.db2.gz SLMDPNMUSPHDSX-KGLIPLIRSA-N 1 1 299.418 2.534 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)C[C@@H]1C ZINC000793512525 629558410 /nfs/dbraw/zinc/55/84/10/629558410.db2.gz SLMDPNMUSPHDSX-KGLIPLIRSA-N 1 1 299.418 2.534 20 30 CFEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793515702 629559718 /nfs/dbraw/zinc/55/97/18/629559718.db2.gz KPNUHGZPSIMDJK-SUMWQHHRSA-N 1 1 299.418 2.677 20 30 CFEDMO C#CC[NH+](CC#C)C[C@@H](OC(C)C)c1ccccc1 ZINC000794383132 629642312 /nfs/dbraw/zinc/64/23/12/629642312.db2.gz LYOHGBUALPVWHF-QGZVFWFLSA-N 1 1 255.361 2.721 20 30 CFEDMO CC(C)N(C)c1ccc(C=[NH+]NCCC(F)(F)F)cn1 ZINC000794552557 629660872 /nfs/dbraw/zinc/66/08/72/629660872.db2.gz MIJLVXUQQKICDN-UHFFFAOYSA-N 1 1 288.317 2.802 20 30 CFEDMO C#CC[N@@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000852477661 634755715 /nfs/dbraw/zinc/75/57/15/634755715.db2.gz VIXGVHJFNWGFNO-UHFFFAOYSA-N 1 1 254.358 2.801 20 30 CFEDMO C#CC[N@H+]1CCc2nc(-c3ccccc3)sc2C1 ZINC000852477661 634755719 /nfs/dbraw/zinc/75/57/19/634755719.db2.gz VIXGVHJFNWGFNO-UHFFFAOYSA-N 1 1 254.358 2.801 20 30 CFEDMO C=CCNN=C1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000795004209 629722220 /nfs/dbraw/zinc/72/22/20/629722220.db2.gz XTPGHAPLKXTROG-UHFFFAOYSA-N 1 1 257.381 2.803 20 30 CFEDMO C=CCC[N@@H+](C)CN1Cc2c(cccc2Cl)C1=O ZINC000795451119 629780746 /nfs/dbraw/zinc/78/07/46/629780746.db2.gz IHERPOZSDZRADS-UHFFFAOYSA-N 1 1 264.756 2.761 20 30 CFEDMO C=CCC[N@H+](C)CN1Cc2c(cccc2Cl)C1=O ZINC000795451119 629780750 /nfs/dbraw/zinc/78/07/50/629780750.db2.gz IHERPOZSDZRADS-UHFFFAOYSA-N 1 1 264.756 2.761 20 30 CFEDMO FC(F)(F)C(F)(F)COCC[NH+]1CCC(F)(F)CC1 ZINC000796540837 629932487 /nfs/dbraw/zinc/93/24/87/629932487.db2.gz WUSOONFYWRZNGV-UHFFFAOYSA-N 1 1 297.214 2.932 20 30 CFEDMO CCCCCCC[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000796554374 629934698 /nfs/dbraw/zinc/93/46/98/629934698.db2.gz IACYJERSYIWHJA-LSDHHAIUSA-N 1 1 255.402 2.837 20 30 CFEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](c2ccc(CC)cc2)C1 ZINC000796583242 629938140 /nfs/dbraw/zinc/93/81/40/629938140.db2.gz FDKUIRKSMOOJLH-QAPCUYQASA-N 1 1 298.430 2.566 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)c1ccc(F)cc1 ZINC000796640967 629944765 /nfs/dbraw/zinc/94/47/65/629944765.db2.gz SYVFTTJSKGZHJZ-GOSISDBHSA-N 1 1 283.346 2.995 20 30 CFEDMO N#Cc1ccc(C(=O)O[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000796847515 629978621 /nfs/dbraw/zinc/97/86/21/629978621.db2.gz LLIVXACSGZWKRZ-OAHLLOKOSA-N 1 1 296.326 2.583 20 30 CFEDMO N#Cc1ccc(C(=O)O[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000796904148 629987392 /nfs/dbraw/zinc/98/73/92/629987392.db2.gz LLIVXACSGZWKRZ-HNNXBMFYSA-N 1 1 296.326 2.583 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C ZINC000797554530 630078495 /nfs/dbraw/zinc/07/84/95/630078495.db2.gz VBYCQKUVTLKLNH-XOYOTBSWSA-N 1 1 297.398 2.677 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000852604055 634790192 /nfs/dbraw/zinc/79/01/92/634790192.db2.gz OIODUBQBUBACEP-KGLIPLIRSA-N 1 1 280.412 2.635 20 30 CFEDMO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[N@H+](C)CCCCCC ZINC000798039391 630144258 /nfs/dbraw/zinc/14/42/58/630144258.db2.gz HNWFBMJSZSAXHH-WBVHZDCISA-N 1 1 296.455 2.596 20 30 CFEDMO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C[N@H+](C)CCCCCC ZINC000798039388 630144306 /nfs/dbraw/zinc/14/43/06/630144306.db2.gz HNWFBMJSZSAXHH-NVXWUHKLSA-N 1 1 296.455 2.596 20 30 CFEDMO C#C[C@H](NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)C(C)C ZINC000799045001 630269377 /nfs/dbraw/zinc/26/93/77/630269377.db2.gz XNBIRSWDGBSLBH-GJZGRUSLSA-N 1 1 292.810 2.717 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)C2CCCCCCC2)C1=O ZINC000799119001 630278554 /nfs/dbraw/zinc/27/85/54/630278554.db2.gz DYVSFASYVDWTGJ-HNNXBMFYSA-N 1 1 264.413 2.818 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000799341490 630301784 /nfs/dbraw/zinc/30/17/84/630301784.db2.gz WBXRNAATCKRSCF-YOEHRIQHSA-N 1 1 299.418 2.669 20 30 CFEDMO O=C1C=C([NH2+]Nc2ccccc2C(F)(F)F)[C@H]2CCCN12 ZINC000799465101 630310819 /nfs/dbraw/zinc/31/08/19/630310819.db2.gz ZGJHKXNUGKXWKL-GFCCVEGCSA-N 1 1 297.280 2.868 20 30 CFEDMO Cc1ccc(N[NH2+]C2=CC(=O)N3CCCC[C@@H]23)cc1 ZINC000799464579 630310875 /nfs/dbraw/zinc/31/08/75/630310875.db2.gz FDZVSTPPTOKMGE-AWEZNQCLSA-N 1 1 257.337 2.548 20 30 CFEDMO O=C1C=C([NH2+]Nc2cccc(Cl)c2)[C@@H]2CCCCN12 ZINC000799465799 630310928 /nfs/dbraw/zinc/31/09/28/630310928.db2.gz PSZAMXRMWXRZII-ZDUSSCGKSA-N 1 1 277.755 2.893 20 30 CFEDMO O=C1C=C([NH2+]Nc2cccc3c2CCCC3)[C@@H]2CCCN12 ZINC000799478233 630313031 /nfs/dbraw/zinc/31/30/31/630313031.db2.gz XTQKXFSRGSXJHG-INIZCTEOSA-N 1 1 283.375 2.728 20 30 CFEDMO CC(C)[C@H]1CCC(=NNCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000799489038 630314397 /nfs/dbraw/zinc/31/43/97/630314397.db2.gz MDSFTTRYGMQUNI-DOTOQJQBSA-N 1 1 295.471 2.747 20 30 CFEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1ccc(C#N)cc1C(F)(F)F ZINC000799491458 630315055 /nfs/dbraw/zinc/31/50/55/630315055.db2.gz FRZWFDIHOYFEGU-VIFPVBQESA-N 1 1 296.296 2.926 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852685367 634806157 /nfs/dbraw/zinc/80/61/57/634806157.db2.gz GHFDQHFFNSIQAU-XHSDSOJGSA-N 1 1 288.347 2.811 20 30 CFEDMO Brc1cnn([NH+]=C2CCC23CCC3)c1 ZINC000799885324 630351681 /nfs/dbraw/zinc/35/16/81/630351681.db2.gz URFUPSAMYBNHQC-UHFFFAOYSA-N 1 1 254.131 2.814 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)OCCCC ZINC000852685755 634806213 /nfs/dbraw/zinc/80/62/13/634806213.db2.gz JRLHTZJLMNEMRI-MCIONIFRSA-N 1 1 251.370 2.901 20 30 CFEDMO Cc1nc(C)c([C@@H](C)[N@H+](C)CCO[C@H](C)C#N)s1 ZINC000801919004 630483781 /nfs/dbraw/zinc/48/37/81/630483781.db2.gz 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C[C@H](C#N)OCC[N@H+]1CCCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000812842703 631794972 /nfs/dbraw/zinc/79/49/72/631794972.db2.gz PSOLKCMXNMSHBJ-NRKLIOEPSA-N 1 1 294.439 2.567 20 30 CFEDMO COc1c(C)c[nH+]c(CCCOC(=O)CCCC#N)c1C ZINC000813083460 631829977 /nfs/dbraw/zinc/82/99/77/631829977.db2.gz QGDHHGAUENUHTN-UHFFFAOYSA-N 1 1 290.363 2.877 20 30 CFEDMO C#CC[N@H+](Cc1cn(C)nc1-c1ccc(C)o1)C1CC1 ZINC000843403696 631945471 /nfs/dbraw/zinc/94/54/71/631945471.db2.gz JYHBXJNZPZSVQU-UHFFFAOYSA-N 1 1 269.348 2.586 20 30 CFEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C1 ZINC000843413692 631947593 /nfs/dbraw/zinc/94/75/93/631947593.db2.gz MQDWPBAEIXJNCZ-RHSMWYFYSA-N 1 1 288.391 2.977 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(O)c(OC)c2)C1 ZINC000843422042 631951282 /nfs/dbraw/zinc/95/12/82/631951282.db2.gz BKETVKYQAPDBJD-CYBMUJFWSA-N 1 1 289.375 2.645 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000843421919 631951407 /nfs/dbraw/zinc/95/14/07/631951407.db2.gz ARLJQUCMQNZXKX-CYBMUJFWSA-N 1 1 269.348 2.905 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000843421299 631951435 /nfs/dbraw/zinc/95/14/35/631951435.db2.gz WULIQEVMAXZEOQ-LXZKKBNFSA-N 1 1 286.375 2.588 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000843423221 631952450 /nfs/dbraw/zinc/95/24/50/631952450.db2.gz AJTLZNFPWYXOMF-AWEZNQCLSA-N 1 1 273.376 2.939 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000843424284 631953003 /nfs/dbraw/zinc/95/30/03/631953003.db2.gz YCUMUTCNIUARCK-JTQLQIEISA-N 1 1 271.286 2.664 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000843424284 631953007 /nfs/dbraw/zinc/95/30/07/631953007.db2.gz YCUMUTCNIUARCK-JTQLQIEISA-N 1 1 271.286 2.664 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000813783789 631958645 /nfs/dbraw/zinc/95/86/45/631958645.db2.gz IIVZDRBENKPOQS-XHSDSOJGSA-N 1 1 290.451 2.757 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000813783789 631958648 /nfs/dbraw/zinc/95/86/48/631958648.db2.gz IIVZDRBENKPOQS-XHSDSOJGSA-N 1 1 290.451 2.757 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000813783786 631959507 /nfs/dbraw/zinc/95/95/07/631959507.db2.gz IIVZDRBENKPOQS-JYJNAYRXSA-N 1 1 290.451 2.757 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000813783786 631959510 /nfs/dbraw/zinc/95/95/10/631959510.db2.gz IIVZDRBENKPOQS-JYJNAYRXSA-N 1 1 290.451 2.757 20 30 CFEDMO C#CC[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000843672789 632019400 /nfs/dbraw/zinc/01/94/00/632019400.db2.gz CVRMYOGNMMFBSR-AEFFLSMTSA-N 1 1 298.430 2.941 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NOCC1CC1 ZINC000814243660 632043842 /nfs/dbraw/zinc/04/38/42/632043842.db2.gz IIZDMIMBXFBUFU-ZDUSSCGKSA-N 1 1 273.380 2.706 20 30 CFEDMO CC(=[NH+]OCC1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000814243735 632043935 /nfs/dbraw/zinc/04/39/35/632043935.db2.gz LJDYRCRVJHYOHR-UHFFFAOYSA-N 1 1 292.354 2.813 20 30 CFEDMO C=CCN(C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000840321611 632064794 /nfs/dbraw/zinc/06/47/94/632064794.db2.gz RKAFCLKCKPNURN-MJBXVCDLSA-N 1 1 252.402 2.671 20 30 CFEDMO Cc1[nH+]ccn1CCCCOC(=O)c1cscc1C#N ZINC000814612659 632098619 /nfs/dbraw/zinc/09/86/19/632098619.db2.gz XEEDEBFJSRWXAS-UHFFFAOYSA-N 1 1 289.360 2.762 20 30 CFEDMO C[C@H]1C(=NNCC(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000814853596 632139017 /nfs/dbraw/zinc/13/90/17/632139017.db2.gz PYEQAAFYICKSEB-LBPRGKRZSA-N 1 1 281.350 2.882 20 30 CFEDMO C[C@H]1C(=NNCC(F)F)CCC[N@@H+]1Cc1ccccc1 ZINC000814853596 632139020 /nfs/dbraw/zinc/13/90/20/632139020.db2.gz PYEQAAFYICKSEB-LBPRGKRZSA-N 1 1 281.350 2.882 20 30 CFEDMO Fc1ccc2ccc(C=NNc3cc[nH+]cc3)nc2c1F ZINC000814899679 632154719 /nfs/dbraw/zinc/15/47/19/632154719.db2.gz HYQXSXVQXRKBBM-UHFFFAOYSA-N 1 1 284.269 2.776 20 30 CFEDMO CC(=[NH+]OC[C@H]1CCOC1)c1ccc(Cl)c(N)c1 ZINC000814911965 632161915 /nfs/dbraw/zinc/16/19/15/632161915.db2.gz HQEIPGIDQHNGAA-JTQLQIEISA-N 1 1 268.744 2.699 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Cn1ncc(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1Cl ZINC000815131684 632211255 /nfs/dbraw/zinc/21/12/55/632211255.db2.gz JUUHVRSXHMDXQS-UHFFFAOYSA-N 1 1 286.766 2.724 20 30 CFEDMO CC#CC[N@H+](C)Cc1ccc(OCC)c(OCC)c1 ZINC000815280742 632242843 /nfs/dbraw/zinc/24/28/43/632242843.db2.gz QWLUIDXXEBXAGW-UHFFFAOYSA-N 1 1 261.365 2.939 20 30 CFEDMO C=CCC(F)(F)C(=O)OCC[C@@H]1CCCC[N@@H+]1C ZINC000815311954 632246510 /nfs/dbraw/zinc/24/65/10/632246510.db2.gz FQUJCRAYNSYPGE-NSHDSACASA-N 1 1 261.312 2.615 20 30 CFEDMO C=C[C@H](C)ON=C1CC[NH+](Cc2ccccn2)CC1 ZINC000844622886 632266858 /nfs/dbraw/zinc/26/68/58/632266858.db2.gz COYCQFICXSMLQT-ZDUSSCGKSA-N 1 1 259.353 2.625 20 30 CFEDMO C=CCOCCOC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815444856 632274188 /nfs/dbraw/zinc/27/41/88/632274188.db2.gz LVHODRNOERBYKK-OAHLLOKOSA-N 1 1 281.396 2.529 20 30 CFEDMO C=CCC(F)(F)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000815676190 632311080 /nfs/dbraw/zinc/31/10/80/632311080.db2.gz HRJWQYPCOZSXJN-RYUDHWBXSA-N 1 1 274.355 2.529 20 30 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/nfs/dbraw/zinc/43/85/42/637438542.db2.gz LQCNSFKFXVAEAP-HNNXBMFYSA-N 1 1 276.424 2.513 20 30 CFEDMO CC(=[NH+]n1cc(Br)cn1)C1CC(F)(F)C1 ZINC000863103727 637554594 /nfs/dbraw/zinc/55/45/94/637554594.db2.gz IOOJHGAXBAUYIB-UHFFFAOYSA-N 1 1 278.100 2.915 20 30 CFEDMO C#CC[NH+](CC#C)Cc1ccc(OC)c(Br)c1 ZINC000076185684 650371514 /nfs/dbraw/zinc/37/15/14/650371514.db2.gz IFFCBMYJPRTOMX-UHFFFAOYSA-N 1 1 292.176 2.526 20 30 CFEDMO Oc1cccc(/C=N\C[C@H]2CC[N@H+]2C2CCCC2)c1O ZINC000864345967 637946580 /nfs/dbraw/zinc/94/65/80/637946580.db2.gz LCAYZRYTBASZBS-AYCSXLNKSA-N 1 1 274.364 2.534 20 30 CFEDMO c1ccc2sc(N=NC3C[NH+]4CCC3CC4)nc2c1 ZINC000864348979 637950141 /nfs/dbraw/zinc/95/01/41/637950141.db2.gz IIKVWUXHPHYCLG-UHFFFAOYSA-N 1 1 272.377 2.790 20 30 CFEDMO C[N@@H+](CCCNC(=O)c1coc(C#N)c1)C1CCCCC1 ZINC000864762596 638081929 /nfs/dbraw/zinc/08/19/29/638081929.db2.gz ARZDAQIPWMZZQD-UHFFFAOYSA-N 1 1 289.379 2.536 20 30 CFEDMO C=CCCC[N@H+](C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000076664607 650396919 /nfs/dbraw/zinc/39/69/19/650396919.db2.gz HGQGNGPKQCSDTF-OAHLLOKOSA-N 1 1 258.365 2.816 20 30 CFEDMO Cc1ccc(NCc2cc(C#N)ccc2N(C)C)[nH+]c1 ZINC000865289658 638258920 /nfs/dbraw/zinc/25/89/20/638258920.db2.gz BUDKZHAJJBEBFH-UHFFFAOYSA-N 1 1 266.348 2.940 20 30 CFEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cn(C2CC2)cn1 ZINC000865547302 638413373 /nfs/dbraw/zinc/41/33/73/638413373.db2.gz SUHJQYMLSLJAKD-KRWDZBQOSA-N 1 1 278.359 2.867 20 30 CFEDMO CN(c1cc(C(F)(F)F)cc(C#N)n1)[C@H]1CCC[N@@H+](C)C1 ZINC000865560265 638423113 /nfs/dbraw/zinc/42/31/13/638423113.db2.gz FLCPHIVGBBYKRK-LBPRGKRZSA-N 1 1 298.312 2.502 20 30 CFEDMO Cc1ccc(C[NH2+]Cc2cc(C#N)ccc2N(C)C)nc1C ZINC000865599961 638451479 /nfs/dbraw/zinc/45/14/79/638451479.db2.gz YNVASBZGSUUYRY-UHFFFAOYSA-N 1 1 294.402 2.926 20 30 CFEDMO C[C@@H]1CN(c2cc(C(F)(F)F)cc(C#N)n2)[C@@H](C)C[N@H+]1C ZINC000865652529 638488646 /nfs/dbraw/zinc/48/86/46/638488646.db2.gz AUASJDZAGJKOLE-ZJUUUORDSA-N 1 1 298.312 2.501 20 30 CFEDMO C=CC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)c1ccncc1 ZINC000865889899 638645083 /nfs/dbraw/zinc/64/50/83/638645083.db2.gz DGVIZTFNLVDPQZ-ARFHVFGLSA-N 1 1 287.407 2.545 20 30 CFEDMO N#Cc1cnc(NC[C@H]2CC[N@H+]2C2CCCCCC2)cn1 ZINC000866192266 638766581 /nfs/dbraw/zinc/76/65/81/638766581.db2.gz GZXZQZHSSOYAOI-OAHLLOKOSA-N 1 1 285.395 2.557 20 30 CFEDMO Cc1ccc(NC[C@H]2c3ccccc3C[N@H+]2C)nc1C#N ZINC000866195311 638767543 /nfs/dbraw/zinc/76/75/43/638767543.db2.gz RJTJKYDAMZVTTH-INIZCTEOSA-N 1 1 278.359 2.860 20 30 CFEDMO Cc1ccc(NC[C@H]2c3ccccc3C[N@@H+]2C)nc1C#N ZINC000866195311 638767545 /nfs/dbraw/zinc/76/75/45/638767545.db2.gz RJTJKYDAMZVTTH-INIZCTEOSA-N 1 1 278.359 2.860 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3c(Cl)cccc3C#N)CC[C@@H]21 ZINC000866207550 638770312 /nfs/dbraw/zinc/77/03/12/638770312.db2.gz XHSBTFXBRJLUMF-OCCSQVGLSA-N 1 1 275.783 2.742 20 30 CFEDMO COc1ccc(C[NH2+][C@H](C)c2cccc(C#N)c2O)cn1 ZINC000866223609 638773763 /nfs/dbraw/zinc/77/37/63/638773763.db2.gz ITGUONACWDCLNI-LLVKDONJSA-N 1 1 283.331 2.518 20 30 CFEDMO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cccc(C#N)c1O ZINC000866227600 638774362 /nfs/dbraw/zinc/77/43/62/638774362.db2.gz AALCBCIRAWGEPZ-ABAIWWIYSA-N 1 1 296.374 2.726 20 30 CFEDMO Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(C#N)c1[O-] ZINC000866272248 638785939 /nfs/dbraw/zinc/78/59/39/638785939.db2.gz LTVPVUHEHAJGPH-CYBMUJFWSA-N 1 1 298.390 2.900 20 30 CFEDMO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1cccc(C#N)c1O ZINC000866339793 638799410 /nfs/dbraw/zinc/79/94/10/638799410.db2.gz FCMGCJIXNZHMJP-HZMBPMFUSA-N 1 1 288.372 2.710 20 30 CFEDMO C[C@@H]([NH2+]Cc1cnc2n1CCCC2)c1cccc(C#N)c1O ZINC000866354129 638802453 /nfs/dbraw/zinc/80/24/53/638802453.db2.gz HHPJVOVJINABQN-GFCCVEGCSA-N 1 1 296.374 2.647 20 30 CFEDMO CCn1cc([C@H](C)[NH2+][C@H](C)c2cccc(C#N)c2O)cn1 ZINC000866372897 638808104 /nfs/dbraw/zinc/80/81/04/638808104.db2.gz WJOGNVVHSGBPEM-NWDGAFQWSA-N 1 1 284.363 2.892 20 30 CFEDMO C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1[O-] ZINC000866400347 638815508 /nfs/dbraw/zinc/81/55/08/638815508.db2.gz YXRXGUINCIZJRA-UONOGXRCSA-N 1 1 287.407 2.646 20 30 CFEDMO N#Cc1cc(F)ccc1N1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000866589866 638850034 /nfs/dbraw/zinc/85/00/34/638850034.db2.gz MJUOKHFJMMILEF-XJKSGUPXSA-N 1 1 298.365 2.512 20 30 CFEDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(C)(C)C#N)c1 ZINC000122227483 638960402 /nfs/dbraw/zinc/96/04/02/638960402.db2.gz RVTHBFNNKSPHGA-LLVKDONJSA-N 1 1 259.353 2.845 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CCSC[C@@H](C)C1 ZINC000190845596 650465028 /nfs/dbraw/zinc/46/50/28/650465028.db2.gz SVXAXSPRGJVKPG-AWEZNQCLSA-N 1 1 275.417 2.884 20 30 CFEDMO C[N@@H+](CC#Cc1ccccc1)Cc1ccccc1O ZINC000192102736 650539416 /nfs/dbraw/zinc/53/94/16/650539416.db2.gz UQCKUWKZGDSXSL-UHFFFAOYSA-N 1 1 251.329 2.876 20 30 CFEDMO C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C=C(C)C ZINC001017324969 651249857 /nfs/dbraw/zinc/24/98/57/651249857.db2.gz RGYNGUUDWJBJEI-GASCZTMLSA-N 1 1 262.397 2.594 20 30 CFEDMO Cc1oc(C#N)cc1C(=O)O[C@@H](C)C[C@H]1CCCC[N@H+]1C ZINC000870784928 641066421 /nfs/dbraw/zinc/06/64/21/641066421.db2.gz LIGJQUKCSXPIKH-WCQYABFASA-N 1 1 290.363 2.879 20 30 CFEDMO C#CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCc2ccccc21 ZINC000079997258 650635142 /nfs/dbraw/zinc/63/51/42/650635142.db2.gz JOTFNZQBLYLBQH-DOTOQJQBSA-N 1 1 255.361 2.788 20 30 CFEDMO C[N@H+]1CCN(C(=O)/C=C/c2ccccc2C#N)CCC1(C)C ZINC000871152197 641215165 /nfs/dbraw/zinc/21/51/65/641215165.db2.gz RMSJRQFMXVZZBN-CMDGGOBGSA-N 1 1 297.402 2.514 20 30 CFEDMO C=CCCOCCCCC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871154448 641218752 /nfs/dbraw/zinc/21/87/52/641218752.db2.gz HTXRVRMTYUIIDZ-UHFFFAOYSA-N 1 1 296.455 2.692 20 30 CFEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)C ZINC001018018548 651263953 /nfs/dbraw/zinc/26/39/53/651263953.db2.gz GTHRIWFYMWTVKU-SOUVJXGZSA-N 1 1 264.413 2.530 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)C ZINC001018018548 651263955 /nfs/dbraw/zinc/26/39/55/651263955.db2.gz GTHRIWFYMWTVKU-SOUVJXGZSA-N 1 1 264.413 2.530 20 30 CFEDMO CC(C)(C#N)CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888574670 641322781 /nfs/dbraw/zinc/32/27/81/641322781.db2.gz LKQSTKHWNBDXCU-UHFFFAOYSA-N 1 1 286.379 2.950 20 30 CFEDMO N#CC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC000123655950 641337370 /nfs/dbraw/zinc/33/73/70/641337370.db2.gz GMHNLWVFNPOJNU-UHFFFAOYSA-N 1 1 295.180 2.890 20 30 CFEDMO Cc1ccc(SCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)c(C#N)c1 ZINC000871687277 641404858 /nfs/dbraw/zinc/40/48/58/641404858.db2.gz WNLBHOSRNZCFDJ-GASCZTMLSA-N 1 1 288.416 2.822 20 30 CFEDMO Cc1[nH+]ccn1CCCSCc1ccc(C#N)o1 ZINC000871704431 641414098 /nfs/dbraw/zinc/41/40/98/641414098.db2.gz ODHCYJONMFEAKH-UHFFFAOYSA-N 1 1 261.350 2.980 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2cccc(OC)c2)no1 ZINC000872173118 641691826 /nfs/dbraw/zinc/69/18/26/641691826.db2.gz KVKUHJLSGADCRA-GFCCVEGCSA-N 1 1 293.754 2.811 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(C2(COC)CCCC2)no1 ZINC000872183689 641696693 /nfs/dbraw/zinc/69/66/93/641696693.db2.gz LFFFTNWDAZNMHG-JTQLQIEISA-N 1 1 285.775 2.670 20 30 CFEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872274751 641733674 /nfs/dbraw/zinc/73/36/74/641733674.db2.gz BLCOXMSLPMJJQT-GOEBONIOSA-N 1 1 275.396 2.854 20 30 CFEDMO Cc1sc2ncnc(N=NC3CC[N@@H+](C)[C@@H]3C)c2c1C ZINC000872331003 641758336 /nfs/dbraw/zinc/75/83/36/641758336.db2.gz ZEERTRHYPUPQPE-SECBINFHSA-N 1 1 289.408 2.800 20 30 CFEDMO c1ccc(CON=C2CCC[N@H+]3CCSC[C@H]23)cc1 ZINC000872340726 641759352 /nfs/dbraw/zinc/75/93/52/641759352.db2.gz MDGVNJRDOPVWQI-OAHLLOKOSA-N 1 1 276.405 2.770 20 30 CFEDMO C[C@H]1C(N=Nc2nccc3sccc32)CC[N@H+]1C ZINC000872343433 641760385 /nfs/dbraw/zinc/76/03/85/641760385.db2.gz BIXHHFZGRZBQRP-VIFPVBQESA-N 1 1 260.366 2.788 20 30 CFEDMO C[C@@H]1C(N=Nc2ccnc(C(F)(F)F)c2)CC[N@H+]1C ZINC000872394700 641790066 /nfs/dbraw/zinc/79/00/66/641790066.db2.gz YYHLPRDTHLEAQI-MRVPVSSYSA-N 1 1 272.274 2.592 20 30 CFEDMO CC(C)[N@@H+]1CC(N=Nc2nc3ccncc3s2)[C@@H](C)C1 ZINC000872412906 641800126 /nfs/dbraw/zinc/80/01/26/641800126.db2.gz OERGEETXLVSLQQ-JTQLQIEISA-N 1 1 289.408 2.819 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CN1CCC2(CCCC2)C1=O ZINC000872622578 641878992 /nfs/dbraw/zinc/87/89/92/641878992.db2.gz HZDQQAWIVQAKMR-GASCZTMLSA-N 1 1 274.408 2.920 20 30 CFEDMO COc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2C#N)c(O)cc1C ZINC000872685428 641895725 /nfs/dbraw/zinc/89/57/25/641895725.db2.gz ZEGSEEIJGICQHF-GXTWGEPZSA-N 1 1 274.364 2.833 20 30 CFEDMO C[N@H+]1CCC[C@H]2[C@H]1CCN2c1nc(C(C)(C)C)ccc1C#N ZINC000872780985 641934834 /nfs/dbraw/zinc/93/48/34/641934834.db2.gz OWOPUZYHZZVGAD-CABCVRRESA-N 1 1 298.434 2.924 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000873113909 642016167 /nfs/dbraw/zinc/01/61/67/642016167.db2.gz OGIWUEOERDLTIK-AWEZNQCLSA-N 1 1 281.444 2.714 20 30 CFEDMO N#Cc1ccc(COC(=O)[C@H]2CCC[N@H+]2C2CCCC2)o1 ZINC000873386327 642173975 /nfs/dbraw/zinc/17/39/75/642173975.db2.gz BQVLSDRPSOPQNJ-OAHLLOKOSA-N 1 1 288.347 2.601 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC000194882351 650732564 /nfs/dbraw/zinc/73/25/64/650732564.db2.gz BEILWTIUQSPDMK-CYBMUJFWSA-N 1 1 259.777 2.650 20 30 CFEDMO COc1ccccc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000020040902 642291739 /nfs/dbraw/zinc/29/17/39/642291739.db2.gz INLQSLYEJCXBPJ-UHFFFAOYSA-N 1 1 270.307 2.996 20 30 CFEDMO Cc1nc(CO[NH+]=C(N)CCc2ccccc2)oc1C ZINC000195478217 650754820 /nfs/dbraw/zinc/75/48/20/650754820.db2.gz YXZRJVJMQUUFLI-UHFFFAOYSA-N 1 1 273.336 2.713 20 30 CFEDMO C=CCC1(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CCCC1 ZINC000874826718 642511618 /nfs/dbraw/zinc/51/16/18/642511618.db2.gz PKYVKAGBIVICGG-LSDHHAIUSA-N 1 1 276.424 2.818 20 30 CFEDMO C#CCC1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)CCCCC1 ZINC000874830786 642514328 /nfs/dbraw/zinc/51/43/28/642514328.db2.gz UENBOGJHJWBDLU-CVEARBPZSA-N 1 1 288.435 2.655 20 30 CFEDMO CCCCCCCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000875764113 642682657 /nfs/dbraw/zinc/68/26/57/642682657.db2.gz AQZODGIMFKKTGF-GJZGRUSLSA-N 1 1 283.460 2.938 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000876717380 642981988 /nfs/dbraw/zinc/98/19/88/642981988.db2.gz BMAMVBHFQHOBLC-QWHCGFSZSA-N 1 1 277.330 2.958 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000876728717 642985455 /nfs/dbraw/zinc/98/54/55/642985455.db2.gz TXUPDCOLFWDBGW-STQMWFEESA-N 1 1 283.416 2.771 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000876741327 642989021 /nfs/dbraw/zinc/98/90/21/642989021.db2.gz SLKOJYDNZPSFJE-LBPRGKRZSA-N 1 1 273.336 2.893 20 30 CFEDMO N#Cc1cnc(Cl)c(C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000876742931 642990238 /nfs/dbraw/zinc/99/02/38/642990238.db2.gz VGKHHBJZQSYDOQ-UHFFFAOYSA-N 1 1 261.756 2.983 20 30 CFEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC3(CCC3)C2)c1 ZINC000876742931 642990247 /nfs/dbraw/zinc/99/02/47/642990247.db2.gz VGKHHBJZQSYDOQ-UHFFFAOYSA-N 1 1 261.756 2.983 20 30 CFEDMO C=CCCCCC[N@H+](C)Cc1cccc(S(N)(=O)=O)c1 ZINC000876748995 642993385 /nfs/dbraw/zinc/99/33/85/642993385.db2.gz GJVIIKDUEBMFDP-UHFFFAOYSA-N 1 1 296.436 2.512 20 30 CFEDMO C#CCCCCCC[N@H+]1C[C@@H](C)N(CC)C[C@@H]1C ZINC000876753892 642995894 /nfs/dbraw/zinc/99/58/94/642995894.db2.gz CCZDTMFKUPJODV-CVEARBPZSA-N 1 1 250.430 2.985 20 30 CFEDMO C#CCCCCCCN1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000876753892 642995895 /nfs/dbraw/zinc/99/58/95/642995895.db2.gz CCZDTMFKUPJODV-CVEARBPZSA-N 1 1 250.430 2.985 20 30 CFEDMO C#CCCCCCCN1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000876753892 642995901 /nfs/dbraw/zinc/99/59/01/642995901.db2.gz CCZDTMFKUPJODV-CVEARBPZSA-N 1 1 250.430 2.985 20 30 CFEDMO C#CCCCCCC[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000876813717 643022224 /nfs/dbraw/zinc/02/22/24/643022224.db2.gz GFODLOTVIJXBHO-MRXNPFEDSA-N 1 1 274.412 2.574 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCNCc1cc(C#N)cnc1Cl ZINC000876931905 643069753 /nfs/dbraw/zinc/06/97/53/643069753.db2.gz YCSWNAKFLQKEHD-LBPRGKRZSA-N 1 1 292.814 2.571 20 30 CFEDMO C[C@H]1CCCCN1CC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876931905 643069759 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C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CCC3)[C@H]1C ZINC001088887367 778937089 /nfs/dbraw/zinc/93/70/89/778937089.db2.gz CXWNMPGZQHZDRV-KFWWJZLASA-N 1 1 276.424 2.722 20 30 CFEDMO COc1cc(O)c(C[NH+]2CCC(C#N)CC2)c(Cl)c1 ZINC001236797674 778941028 /nfs/dbraw/zinc/94/10/28/778941028.db2.gz IDXQRRQHSZFKKQ-UHFFFAOYSA-N 1 1 280.755 2.790 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc3c2ccn3C)[C@H]1C ZINC001088922778 778950417 /nfs/dbraw/zinc/95/04/17/778950417.db2.gz BUKHTJGAABXLPP-CJNGLKHVSA-N 1 1 297.402 2.557 20 30 CFEDMO C=CCC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C#CC(C)C ZINC001099064887 778959353 /nfs/dbraw/zinc/95/93/53/778959353.db2.gz JPJIJFOIMHUGGJ-MRXNPFEDSA-N 1 1 290.451 2.829 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(OC)c(F)cc2F)C1 ZINC001236836017 778961150 /nfs/dbraw/zinc/96/11/50/778961150.db2.gz VNBVUIZOUWPCMM-LLVKDONJSA-N 1 1 265.303 2.819 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2F)C1 ZINC001236836017 778961154 /nfs/dbraw/zinc/96/11/54/778961154.db2.gz 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ZINC001089018609 778975031 /nfs/dbraw/zinc/97/50/31/778975031.db2.gz RMFGVQLBNMXQMN-ZBFHGGJFSA-N 1 1 272.392 2.682 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@H]1C ZINC001089021570 778977296 /nfs/dbraw/zinc/97/72/96/778977296.db2.gz WQNPPFCAGXZQMO-OCCSQVGLSA-N 1 1 284.359 2.811 20 30 CFEDMO C#CC[NH+](CC#C)Cc1ccc(-n2cccn2)c(Cl)c1 ZINC001236905525 778980680 /nfs/dbraw/zinc/98/06/80/778980680.db2.gz TUVFQPSCGLWDDM-UHFFFAOYSA-N 1 1 283.762 2.594 20 30 CFEDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](C#N)CC2)c(O)c1 ZINC001232840328 778981191 /nfs/dbraw/zinc/98/11/91/778981191.db2.gz SWODNFIVRDKRCR-ZDUSSCGKSA-N 1 1 273.380 2.584 20 30 CFEDMO C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC1(F)F)C2 ZINC001045936989 778981700 /nfs/dbraw/zinc/98/17/00/778981700.db2.gz QHYSNMMEKDPWKZ-ZFWWWQNUSA-N 1 1 298.377 2.532 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CC=C(C)CC2)[C@H]1C ZINC001089055065 778982939 /nfs/dbraw/zinc/98/29/39/778982939.db2.gz UBZDUPKESMOQAD-RYRKJORJSA-N 1 1 288.435 2.725 20 30 CFEDMO CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC001232847145 778983751 /nfs/dbraw/zinc/98/37/51/778983751.db2.gz SDCNTFFIXRKNCX-HNNXBMFYSA-N 1 1 292.404 2.785 20 30 CFEDMO C=C(C)CCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099098415 778988834 /nfs/dbraw/zinc/98/88/34/778988834.db2.gz PDTJHGPYXVNLGK-AWEZNQCLSA-N 1 1 266.429 2.969 20 30 CFEDMO CCc1cc(C[N@H+]2CCCC3(CN(C)C3)C2)ccc1C#N ZINC001278036554 778989536 /nfs/dbraw/zinc/98/95/36/778989536.db2.gz AKKYXTBJNFXULG-UHFFFAOYSA-N 1 1 283.419 2.648 20 30 CFEDMO CCc1cc(CN2CCCC3(C[NH+](C)C3)C2)ccc1C#N ZINC001278036554 778989537 /nfs/dbraw/zinc/98/95/37/778989537.db2.gz AKKYXTBJNFXULG-UHFFFAOYSA-N 1 1 283.419 2.648 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3C)CC2)[C@H]1C ZINC001089077287 778989796 /nfs/dbraw/zinc/98/97/96/778989796.db2.gz YRQVNGPUCKVZJJ-WBVHZDCISA-N 1 1 298.430 2.792 20 30 CFEDMO CSc1nc(N2CCCC2)cc(NCCCCC#N)[nH+]1 ZINC001168427112 779006006 /nfs/dbraw/zinc/00/60/06/779006006.db2.gz HHMQBHXMXJVESG-UHFFFAOYSA-N 1 1 291.424 2.904 20 30 CFEDMO CSc1nc(NCCCCC#N)cc(N2CCCC2)[nH+]1 ZINC001168427112 779006010 /nfs/dbraw/zinc/00/60/10/779006010.db2.gz HHMQBHXMXJVESG-UHFFFAOYSA-N 1 1 291.424 2.904 20 30 CFEDMO CCCCCCC[C@H](C)C(=O)N1CC2(CC[N@@H+]2C)C1 ZINC001272293553 779019716 /nfs/dbraw/zinc/01/97/16/779019716.db2.gz IOMXIAROKAJJPX-AWEZNQCLSA-N 1 1 266.429 2.900 20 30 CFEDMO CCCCCCC[C@H](C)C(=O)N1CC2(CC[N@H+]2C)C1 ZINC001272293553 779019723 /nfs/dbraw/zinc/01/97/23/779019723.db2.gz IOMXIAROKAJJPX-AWEZNQCLSA-N 1 1 266.429 2.900 20 30 CFEDMO N#Cc1ccc(C[NH+]2CCC3(CC(F)C3)CC2)c(O)c1 ZINC001233384220 779039958 /nfs/dbraw/zinc/03/99/58/779039958.db2.gz MHZNCLILZHDKGA-UHFFFAOYSA-N 1 1 274.339 2.978 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2c[nH]c(Br)c2)C1 ZINC001233437500 779042572 /nfs/dbraw/zinc/04/25/72/779042572.db2.gz BRHRKOVAOYKHKK-JTQLQIEISA-N 1 1 267.170 2.622 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2c[nH]c(Br)c2)C1 ZINC001233437500 779042575 /nfs/dbraw/zinc/04/25/75/779042575.db2.gz BRHRKOVAOYKHKK-JTQLQIEISA-N 1 1 267.170 2.622 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1OCCO)C(C)(C)C ZINC001237208443 779049877 /nfs/dbraw/zinc/04/98/77/779049877.db2.gz JLPCAQIMIXOJGT-UHFFFAOYSA-N 1 1 263.381 2.844 20 30 CFEDMO CCc1cc(C#N)ccc1C[N@@H+]1CCNC2=CCCC[C@H]21 ZINC001237230373 779057546 /nfs/dbraw/zinc/05/75/46/779057546.db2.gz SCJSVXNRTMYHPM-GOSISDBHSA-N 1 1 281.403 2.962 20 30 CFEDMO CCc1cc(C#N)ccc1C[N@H+]1CCNC2=CCCC[C@H]21 ZINC001237230373 779057550 /nfs/dbraw/zinc/05/75/50/779057550.db2.gz SCJSVXNRTMYHPM-GOSISDBHSA-N 1 1 281.403 2.962 20 30 CFEDMO C[N@H+]1CCCC(=NNCCCc2ccccc2)CC1 ZINC000758120743 779058912 /nfs/dbraw/zinc/05/89/12/779058912.db2.gz PZCAFGFIGIIAEJ-UHFFFAOYSA-N 1 1 259.397 2.681 20 30 CFEDMO COc1nc(Cl)ccc1C[NH+]1CCC(S)CC1 ZINC001237252647 779060837 /nfs/dbraw/zinc/06/08/37/779060837.db2.gz JQMVUIHHZJXCSF-UHFFFAOYSA-N 1 1 272.801 2.638 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCCC[C@H]2C)C1 ZINC001030871812 779070175 /nfs/dbraw/zinc/07/01/75/779070175.db2.gz JZGZVACMNGVJIG-HIFRSBDPSA-N 1 1 264.413 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CC#CC[N@H+]1CC[C@@H](NC(=O)C2CCCC2)CC(C)(C)C1 ZINC001089298646 779145101 /nfs/dbraw/zinc/14/51/01/779145101.db2.gz LYWHOTHWJBURQP-MRXNPFEDSA-N 1 1 290.451 2.807 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cccc3cc[nH]c32)C1 ZINC001030992315 779161600 /nfs/dbraw/zinc/16/16/00/779161600.db2.gz QRCVRFFZBITSQS-UHFFFAOYSA-N 1 1 283.375 2.548 20 30 CFEDMO C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C#N)c2)[C@H]1CO ZINC001237747586 779173096 /nfs/dbraw/zinc/17/30/96/779173096.db2.gz YEOAHDFPPOBMBH-NHYWBVRUSA-N 1 1 278.783 2.804 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@]1(C)O ZINC001237746351 779173595 /nfs/dbraw/zinc/17/35/95/779173595.db2.gz LPEBXKMFDLADLU-NHYWBVRUSA-N 1 1 278.783 2.804 20 30 CFEDMO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237752225 779174122 /nfs/dbraw/zinc/17/41/22/779174122.db2.gz TYHNCQRGMYESHA-IINYFYTJSA-N 1 1 264.756 2.557 20 30 CFEDMO C[C@H]1C[C@H](O)CC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237752225 779174126 /nfs/dbraw/zinc/17/41/26/779174126.db2.gz 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C=C(C)[C@@H](CC(=O)N(C)C[C@H]1CC[N@@H+]1CCCC)OCC ZINC001234644341 779256904 /nfs/dbraw/zinc/25/69/04/779256904.db2.gz TXFMHMILTWKPAT-HZPDHXFCSA-N 1 1 296.455 2.691 20 30 CFEDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc(Cl)c(C#N)c1 ZINC001238188706 779273571 /nfs/dbraw/zinc/27/35/71/779273571.db2.gz HNAHLKBRMRGAEF-GWCFXTLKSA-N 1 1 264.756 2.557 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(C#N)c2)CCC[C@@H]1O ZINC001238189781 779274727 /nfs/dbraw/zinc/27/47/27/779274727.db2.gz WMJQZRUZMHJWHI-ABAIWWIYSA-N 1 1 278.783 2.804 20 30 CFEDMO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238190991 779275251 /nfs/dbraw/zinc/27/52/51/779275251.db2.gz HRPDNCFEGZIVGN-GFCCVEGCSA-N 1 1 292.766 2.597 20 30 CFEDMO CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238190991 779275256 /nfs/dbraw/zinc/27/52/56/779275256.db2.gz HRPDNCFEGZIVGN-GFCCVEGCSA-N 1 1 292.766 2.597 20 30 CFEDMO COc1cc(C#N)cc(C)c1OC1C[NH+](C(C)(C)C)C1 ZINC001234865690 779277082 /nfs/dbraw/zinc/27/70/82/779277082.db2.gz 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CCc1cc(C[N@H+]2CCC[C@](C)(O)CC2)ccc1C#N ZINC001238765777 779385614 /nfs/dbraw/zinc/38/56/14/779385614.db2.gz HPPRPYGIJQRNNN-KRWDZBQOSA-N 1 1 272.392 2.858 20 30 CFEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(CC)c2)C1 ZINC001238768212 779386600 /nfs/dbraw/zinc/38/66/00/779386600.db2.gz HIKHENDQNQURQI-MRXNPFEDSA-N 1 1 258.365 2.731 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2cccc(C(F)F)c2)C1 ZINC001031287896 779386864 /nfs/dbraw/zinc/38/68/64/779386864.db2.gz MOLPVZOHFGANDO-UHFFFAOYSA-N 1 1 280.318 2.614 20 30 CFEDMO CCc1cc(C[N@@H+]2CCOC[C@@H]2C(C)C)ccc1C#N ZINC001238768110 779387029 /nfs/dbraw/zinc/38/70/29/779387029.db2.gz FXTPNZJWWHMTFA-QGZVFWFLSA-N 1 1 272.392 2.977 20 30 CFEDMO CCc1cc(C[N@H+]2CCOC[C@@H]2C(C)C)ccc1C#N ZINC001238768110 779387032 /nfs/dbraw/zinc/38/70/32/779387032.db2.gz FXTPNZJWWHMTFA-QGZVFWFLSA-N 1 1 272.392 2.977 20 30 CFEDMO CCc1cc(CN2CC3(C2)CC[NH+](C)CC3)ccc1C#N ZINC001238768661 779387039 /nfs/dbraw/zinc/38/70/39/779387039.db2.gz MGQJGMGZTBKREM-UHFFFAOYSA-N 1 1 283.419 2.648 20 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2.727 20 30 CFEDMO C=CCN(Cc1cccs1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000351805309 779422971 /nfs/dbraw/zinc/42/29/71/779422971.db2.gz VGKUBNSXYGDXES-KBPBESRZSA-N 1 1 292.448 2.993 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC2(C)C)CC(C)(C)C1 ZINC001089364293 779426454 /nfs/dbraw/zinc/42/64/54/779426454.db2.gz XZXZGJYVMPHOGG-ZIAGYGMSSA-N 1 1 278.440 2.825 20 30 CFEDMO C=C(CC(C)C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001123665083 779441122 /nfs/dbraw/zinc/44/11/22/779441122.db2.gz VCCQSTXIWLHVEI-CABCVRRESA-N 1 1 264.413 2.531 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2ccoc2)CC(C)(C)C1 ZINC001089368796 779444624 /nfs/dbraw/zinc/44/46/24/779444624.db2.gz WQQWVPLUPKEVQR-OAHLLOKOSA-N 1 1 290.407 2.615 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(C3CC3)cc2)C1 ZINC001031422171 779453688 /nfs/dbraw/zinc/45/36/88/779453688.db2.gz CECXVQQWISEIMS-UHFFFAOYSA-N 1 1 284.403 2.944 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C2CC2)CC(C)(C)C1 ZINC001089463832 779488224 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C#CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC=CC1 ZINC001089622079 779546584 /nfs/dbraw/zinc/54/65/84/779546584.db2.gz DNMUKAKMRGWDLW-MRXNPFEDSA-N 1 1 288.435 2.583 20 30 CFEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1CC(C)C1 ZINC001089626526 779546929 /nfs/dbraw/zinc/54/69/29/779546929.db2.gz LDVYYARFGZFPBV-NRXISQOPSA-N 1 1 278.440 2.825 20 30 CFEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@H]1CC1(C)C ZINC001089627579 779548502 /nfs/dbraw/zinc/54/85/02/779548502.db2.gz ZROBJHVHDLOIAR-ZIAGYGMSSA-N 1 1 278.440 2.825 20 30 CFEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1CC1(C)C ZINC001089630851 779549422 /nfs/dbraw/zinc/54/94/22/779549422.db2.gz ZROBJHVHDLOIAR-KBPBESRZSA-N 1 1 278.440 2.825 20 30 CFEDMO C=C(C)C[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001089683609 779566226 /nfs/dbraw/zinc/56/62/26/779566226.db2.gz BCSGKIDNEKNYJB-KKUMJFAQSA-N 1 1 278.440 2.825 20 30 CFEDMO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H]1CC12CC2 ZINC001089702438 779571682 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/nfs/dbraw/zinc/36/69/46/349366946.db2.gz QZIOETNGPKWKMJ-JKSUJKDBSA-N 1 1 298.390 2.697 20 30 CFEDMO N#CCCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000594325183 349407553 /nfs/dbraw/zinc/40/75/53/349407553.db2.gz AJEKYZGSERWGTN-GOEBONIOSA-N 1 1 289.423 2.546 20 30 CFEDMO CC[C@H](C#N)N(C)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000594085197 349371074 /nfs/dbraw/zinc/37/10/74/349371074.db2.gz JAFPGLSSABSSOK-ZIAGYGMSSA-N 1 1 293.798 2.703 20 30 CFEDMO Cc1csc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1C#N ZINC000594111064 349380141 /nfs/dbraw/zinc/38/01/41/349380141.db2.gz QHGLZJYHWWXWRK-QWRGUYRKSA-N 1 1 292.408 2.532 20 30 CFEDMO C[C@H]([NH2+][C@H]1CCCn2ccnc21)c1cccc(C#N)c1 ZINC000594496305 349430475 /nfs/dbraw/zinc/43/04/75/349430475.db2.gz JRLCJFJJWVZIJC-WFASDCNBSA-N 1 1 266.348 2.940 20 30 CFEDMO CC[C@H]1C[N@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000596983433 350011150 /nfs/dbraw/zinc/01/11/50/350011150.db2.gz YVAZROLEPOZGJL-INIZCTEOSA-N 1 1 270.376 2.853 20 30 CFEDMO CC[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)CCO1 ZINC000596983433 350011154 /nfs/dbraw/zinc/01/11/54/350011154.db2.gz YVAZROLEPOZGJL-INIZCTEOSA-N 1 1 270.376 2.853 20 30 CFEDMO C=CC[N@H+](Cc1cnn2c1CCC2)Cc1cccc(C#N)c1 ZINC000597001665 350014992 /nfs/dbraw/zinc/01/49/92/350014992.db2.gz ZLZVTOQFRJHALT-UHFFFAOYSA-N 1 1 292.386 2.889 20 30 CFEDMO C=CC[N@@H+](Cc1cnn2c1CCC2)Cc1cccc(C#N)c1 ZINC000597001665 350014994 /nfs/dbraw/zinc/01/49/94/350014994.db2.gz ZLZVTOQFRJHALT-UHFFFAOYSA-N 1 1 292.386 2.889 20 30 CFEDMO C[N@@H+](CCn1cccn1)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597009358 350015222 /nfs/dbraw/zinc/01/52/22/350015222.db2.gz JTRQACASXDQQFB-UHFFFAOYSA-N 1 1 280.375 2.570 20 30 CFEDMO C[N@H+](Cc1ccc(C2(C#N)CC2)cc1)C[C@H]1CCC[C@H]1O ZINC000597026501 350018068 /nfs/dbraw/zinc/01/80/68/350018068.db2.gz JDDFBEVTNOZSSI-NVXWUHKLSA-N 1 1 284.403 2.835 20 30 CFEDMO CCOCC[N@@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597082534 350026779 /nfs/dbraw/zinc/02/67/79/350026779.db2.gz VQNDFKVHEYLPSQ-UHFFFAOYSA-N 1 1 258.365 2.710 20 30 CFEDMO N#CC1(c2ccc(C[N@H+](CCO)C3CCC3)cc2)CC1 ZINC000597111506 350030836 /nfs/dbraw/zinc/03/08/36/350030836.db2.gz PNJCNZQLDCVOHO-UHFFFAOYSA-N 1 1 270.376 2.589 20 30 CFEDMO CCC(C)(C)[NH+]1CCN(C(=O)c2sccc2C#N)CC1 ZINC000594388668 349413628 /nfs/dbraw/zinc/41/36/28/349413628.db2.gz ACMWUXXFCUGOPO-UHFFFAOYSA-N 1 1 291.420 2.566 20 30 CFEDMO N#CC1(c2ccc(C[N@H+]3CCCc4n[nH]cc4C3)cc2)CC1 ZINC000597269091 350076503 /nfs/dbraw/zinc/07/65/03/350076503.db2.gz SZENQJJTYNSIHS-UHFFFAOYSA-N 1 1 292.386 2.913 20 30 CFEDMO C[N@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)CC(C)(C)C#N ZINC000597134729 350036020 /nfs/dbraw/zinc/03/60/20/350036020.db2.gz AVPDNWVOMSNIFC-MRXNPFEDSA-N 1 1 288.391 2.836 20 30 CFEDMO C[N@@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)CC(C)(C)C#N ZINC000597134729 350036021 /nfs/dbraw/zinc/03/60/21/350036021.db2.gz AVPDNWVOMSNIFC-MRXNPFEDSA-N 1 1 288.391 2.836 20 30 CFEDMO Cc1ccc2ncc(C[N@@H+]3CCC[C@H](CC#N)C3)n2c1 ZINC000597175747 350044724 /nfs/dbraw/zinc/04/47/24/350044724.db2.gz DLHWRUUQXSRQHX-CQSZACIVSA-N 1 1 268.364 2.768 20 30 CFEDMO Cc1ccc2ncc(C[N@H+]3CCC[C@H](CC#N)C3)n2c1 ZINC000597175747 350044728 /nfs/dbraw/zinc/04/47/28/350044728.db2.gz DLHWRUUQXSRQHX-CQSZACIVSA-N 1 1 268.364 2.768 20 30 CFEDMO Cn1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(C(C)(C)C)n1 ZINC000597178518 350045401 /nfs/dbraw/zinc/04/54/01/350045401.db2.gz ZZOBTALINUVLSD-CYBMUJFWSA-N 1 1 274.412 2.843 20 30 CFEDMO N#CCC1C[NH+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000597193004 350049698 /nfs/dbraw/zinc/04/96/98/350049698.db2.gz CISJJHCYXIINRE-UHFFFAOYSA-N 1 1 284.281 2.973 20 30 CFEDMO CCOCc1cc(C[NH+]2CC(CC#N)C2)ccc1OC ZINC000597194382 350050557 /nfs/dbraw/zinc/05/05/57/350050557.db2.gz SCYHCQQVPOFVDW-UHFFFAOYSA-N 1 1 274.364 2.577 20 30 CFEDMO C[C@@]1(C#N)CC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000597230723 350064698 /nfs/dbraw/zinc/06/46/98/350064698.db2.gz IKIMBIFTMMICKW-INIZCTEOSA-N 1 1 251.333 2.970 20 30 CFEDMO C[C@@]1(C#N)CC[N@@H+](Cc2ccc3cnccc3c2)C1 ZINC000597230723 350064700 /nfs/dbraw/zinc/06/47/00/350064700.db2.gz IKIMBIFTMMICKW-INIZCTEOSA-N 1 1 251.333 2.970 20 30 CFEDMO C[C@H]1CN(c2ccccc2C[N@@H+]2CC[C@@](C)(C#N)C2)CCO1 ZINC000597231432 350065735 /nfs/dbraw/zinc/06/57/35/350065735.db2.gz NSOBCIFMKNWVCG-YJBOKZPZSA-N 1 1 299.418 2.647 20 30 CFEDMO C[C@H]1CN(c2ccccc2C[N@H+]2CC[C@@](C)(C#N)C2)CCO1 ZINC000597231432 350065737 /nfs/dbraw/zinc/06/57/37/350065737.db2.gz NSOBCIFMKNWVCG-YJBOKZPZSA-N 1 1 299.418 2.647 20 30 CFEDMO N#Cc1cnn2cc(C[N@@H+](CCC3CC3)CC3CC3)cnc12 ZINC000597233755 350066536 /nfs/dbraw/zinc/06/65/36/350066536.db2.gz OOUWTLIRJCBSRX-UHFFFAOYSA-N 1 1 295.390 2.613 20 30 CFEDMO C[C@@H](CC#N)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000597328037 350084107 /nfs/dbraw/zinc/08/41/07/350084107.db2.gz IWLNZPSXWYNHKH-DOTOQJQBSA-N 1 1 299.418 2.659 20 30 CFEDMO CC(C)[N@@H+](C)C[C@H](C)NC(=O)CC1(C#N)CCCCC1 ZINC000597661286 350121442 /nfs/dbraw/zinc/12/14/42/350121442.db2.gz BKTUJSIQVHLIKL-AWEZNQCLSA-N 1 1 279.428 2.695 20 30 CFEDMO CC[C@@H](CSC)[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000091099844 180098231 /nfs/dbraw/zinc/09/82/31/180098231.db2.gz DYNPMLYSMZDRJM-AWEZNQCLSA-N 1 1 291.420 2.570 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000104686657 186013896 /nfs/dbraw/zinc/01/38/96/186013896.db2.gz JADJHXWZXGMXDJ-SNVBAGLBSA-N 1 1 279.771 2.880 20 30 CFEDMO Cc1noc([C@@H]2CCC[N@@H+](Cc3cc(C#N)cs3)C2)n1 ZINC000091833278 180266733 /nfs/dbraw/zinc/26/67/33/180266733.db2.gz XZKMWOUGHMJULZ-GFCCVEGCSA-N 1 1 288.376 2.691 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598623323 350296597 /nfs/dbraw/zinc/29/65/97/350296597.db2.gz WICPCKZGCVTLEZ-XJKSGUPXSA-N 1 1 285.391 2.852 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000598626961 350296658 /nfs/dbraw/zinc/29/66/58/350296658.db2.gz MQFOZYXGQMPSDO-GJZGRUSLSA-N 1 1 276.355 2.873 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000598629185 350297675 /nfs/dbraw/zinc/29/76/75/350297675.db2.gz YZCKCHMBDWMIFQ-CABCVRRESA-N 1 1 287.407 2.765 20 30 CFEDMO C[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C[C@H]1CO ZINC000598646043 350300734 /nfs/dbraw/zinc/30/07/34/350300734.db2.gz JLKHLEQJPDRYHO-CABCVRRESA-N 1 1 264.413 2.801 20 30 CFEDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000598646340 350301420 /nfs/dbraw/zinc/30/14/20/350301420.db2.gz FMSGYQPJBHGXDE-HNNXBMFYSA-N 1 1 258.365 2.541 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598651827 350303207 /nfs/dbraw/zinc/30/32/07/350303207.db2.gz WGBTYRKQBYVZNM-XJKCOSOUSA-N 1 1 258.365 2.570 20 30 CFEDMO CC1(c2ccccc2)C[NH+](Cc2ccc(C#N)o2)C1 ZINC000598676478 350308152 /nfs/dbraw/zinc/30/81/52/350308152.db2.gz IRANFQWOJLXCIO-UHFFFAOYSA-N 1 1 252.317 2.925 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC2(CCC2)[C@H]1c1ccncc1 ZINC000598705472 350314271 /nfs/dbraw/zinc/31/42/71/350314271.db2.gz KFIFHJNACPNZNG-HZPDHXFCSA-N 1 1 299.418 2.909 20 30 CFEDMO CC(C)[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H]1C(C)C ZINC000598705575 350314330 /nfs/dbraw/zinc/31/43/30/350314330.db2.gz KTJYJLQLTFIEOS-KKUMJFAQSA-N 1 1 266.429 2.900 20 30 CFEDMO C[N@H+](Cc1ccc(F)cc1F)C[C@@H](O)CC(C)(C)C#N ZINC000598587025 350286121 /nfs/dbraw/zinc/28/61/21/350286121.db2.gz HDIXCEHIXQVIER-ZDUSSCGKSA-N 1 1 282.334 2.697 20 30 CFEDMO C[C@@H](c1ccco1)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598586596 350286458 /nfs/dbraw/zinc/28/64/58/350286458.db2.gz ISSVEXYSVXVFJT-RYUDHWBXSA-N 1 1 250.342 2.573 20 30 CFEDMO Cc1ccc(C[N@@H+](C[C@H](O)CC(C)(C)C#N)C2CC2)o1 ZINC000598586392 350286484 /nfs/dbraw/zinc/28/64/84/350286484.db2.gz SOIUDIZIJKGJME-CQSZACIVSA-N 1 1 276.380 2.853 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000598591152 350287069 /nfs/dbraw/zinc/28/70/69/350287069.db2.gz ULTFWVALOLVNKR-OLZOCXBDSA-N 1 1 293.436 2.971 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000598591152 350287070 /nfs/dbraw/zinc/28/70/70/350287070.db2.gz ULTFWVALOLVNKR-OLZOCXBDSA-N 1 1 293.436 2.971 20 30 CFEDMO Cc1csc([C@@H]2CCC[N@H+]2C[C@@H](O)CC(C)(C)C#N)n1 ZINC000598590136 350287687 /nfs/dbraw/zinc/28/76/87/350287687.db2.gz KRJOOQPIHPKVTB-STQMWFEESA-N 1 1 293.436 2.889 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000598591392 350287882 /nfs/dbraw/zinc/28/78/82/350287882.db2.gz AUQMCZDDLZKDSA-MELADBBJSA-N 1 1 250.386 2.552 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000598592865 350288275 /nfs/dbraw/zinc/28/82/75/350288275.db2.gz MIVHJWVQFVNOLW-LBPRGKRZSA-N 1 1 292.345 2.952 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000598592835 350288398 /nfs/dbraw/zinc/28/83/98/350288398.db2.gz LVAPHIOLNWSNHJ-GDBMZVCRSA-N 1 1 290.382 2.916 20 30 CFEDMO C[C@@H]1C[N@@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1c1ccccc1 ZINC000598591960 350288419 /nfs/dbraw/zinc/28/84/19/350288419.db2.gz CSKKWCOZMIGUCG-BMFZPTHFSA-N 1 1 272.392 2.980 20 30 CFEDMO C[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598592374 350288505 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ZINC000331974316 204350955 /nfs/dbraw/zinc/35/09/55/204350955.db2.gz KCXGZZBENYRZMK-UHFFFAOYSA-N 1 1 299.418 2.687 20 30 CFEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000289422874 284294270 /nfs/dbraw/zinc/29/42/70/284294270.db2.gz MWBIDYKXJZGZEC-IRXDYDNUSA-N 1 1 298.386 2.894 20 30 CFEDMO COC(=O)[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C2CC2)C1 ZINC000289422874 284294274 /nfs/dbraw/zinc/29/42/74/284294274.db2.gz MWBIDYKXJZGZEC-IRXDYDNUSA-N 1 1 298.386 2.894 20 30 CFEDMO COCC#CC[N@@H+](C)CCc1cccc2ccccc21 ZINC000677478157 541864934 /nfs/dbraw/zinc/86/49/34/541864934.db2.gz POLZHBHGNYQISI-UHFFFAOYSA-N 1 1 267.372 2.964 20 30 CFEDMO C[N@@H+](CCc1ccccn1)Cc1ccccc1C#N ZINC000019844111 372198525 /nfs/dbraw/zinc/19/85/25/372198525.db2.gz KSNBDPLCMVXVLE-UHFFFAOYSA-N 1 1 251.333 2.628 20 30 CFEDMO N#Cc1cccc(C[NH+]2CCN(c3ccc(O)cc3)CC2)c1 ZINC000024165312 372272496 /nfs/dbraw/zinc/27/24/96/372272496.db2.gz SQOYJIQARRJGGG-UHFFFAOYSA-N 1 1 293.370 2.586 20 30 CFEDMO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCCC1 ZINC000025419040 372301789 /nfs/dbraw/zinc/30/17/89/372301789.db2.gz RFCPYQAWQBQIKN-SNVBAGLBSA-N 1 1 289.404 2.531 20 30 CFEDMO C[N@@H+](CCc1ccncc1)Cc1cccc(C#N)c1 ZINC000031945966 372423907 /nfs/dbraw/zinc/42/39/07/372423907.db2.gz JHXVLFFMYOMDGH-UHFFFAOYSA-N 1 1 251.333 2.628 20 30 CFEDMO C=C(C)C[N@@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1 ZINC000574410281 335017634 /nfs/dbraw/zinc/01/76/34/335017634.db2.gz FHZWRJUZFAYPFC-INIZCTEOSA-N 1 1 272.392 2.591 20 30 CFEDMO C[C@@H](C1CC1)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000036785378 372593971 /nfs/dbraw/zinc/59/39/71/372593971.db2.gz HMJFBVLDGQIVNP-LBPRGKRZSA-N 1 1 271.364 2.617 20 30 CFEDMO CC(C)[C@H](C)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000036787322 372594406 /nfs/dbraw/zinc/59/44/06/372594406.db2.gz CODQHGBGRWSTCG-ZDUSSCGKSA-N 1 1 273.380 2.863 20 30 CFEDMO CCC[N@@H+](CC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000037095035 372649454 /nfs/dbraw/zinc/64/94/54/372649454.db2.gz QXWODUSKYIQYEE-LBPRGKRZSA-N 1 1 259.353 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CCC[N@@H+](CC(C)C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000411203237 381015347 /nfs/dbraw/zinc/01/53/47/381015347.db2.gz QKILBCIPFWPRFB-ZBFHGGJFSA-N 1 1 281.444 2.797 20 30 CFEDMO C[N@H+]1CC[C@H]2CCN(Cc3ccc(Cl)cc3C#N)C[C@@H]21 ZINC000368422960 381018065 /nfs/dbraw/zinc/01/80/65/381018065.db2.gz UUVGGUZGPUOAGV-LRDDRELGSA-N 1 1 289.810 2.738 20 30 CFEDMO N#CC1(CC[N@H+](CCO)Cc2cccnc2)CCCCC1 ZINC000411355934 381023015 /nfs/dbraw/zinc/02/30/15/381023015.db2.gz ZXRNGNDAFKHSDB-UHFFFAOYSA-N 1 1 287.407 2.740 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)[C@@H]1CO ZINC000411392364 381023304 /nfs/dbraw/zinc/02/33/04/381023304.db2.gz CMSXDYJSVUYSBT-HUUCEWRRSA-N 1 1 264.413 2.943 20 30 CFEDMO C[N@@H+](CCC1(C#N)CCCCC1)C[C@@H]1CCC[C@@H]1O ZINC000411405984 381026671 /nfs/dbraw/zinc/02/66/71/381026671.db2.gz IIFWDNZMZYICHW-GJZGRUSLSA-N 1 1 264.413 2.943 20 30 CFEDMO C=CC[N@H+](C[C@H](O)COc1ccc(SC)cc1)C1CC1 ZINC000411438532 381028879 /nfs/dbraw/zinc/02/88/79/381028879.db2.gz 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COC[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)cc2F)C1 ZINC000368667672 381105045 /nfs/dbraw/zinc/10/50/45/381105045.db2.gz AQNRUDIOYLBYDT-CQSZACIVSA-N 1 1 276.355 2.946 20 30 CFEDMO C=C(CC)C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000358829573 381109702 /nfs/dbraw/zinc/10/97/02/381109702.db2.gz MFINDVODPGJZTO-KBPBESRZSA-N 1 1 255.427 2.939 20 30 CFEDMO C=CCN(CC=C)[C@H](C[NH2+][C@H](C)c1nccn1C)C(C)C ZINC000182371518 381075760 /nfs/dbraw/zinc/07/57/60/381075760.db2.gz MMLNETXDXWRDBE-HZPDHXFCSA-N 1 1 290.455 2.769 20 30 CFEDMO CCn1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2OC)cn1 ZINC000295898949 381143982 /nfs/dbraw/zinc/14/39/82/381143982.db2.gz CZTWAUGAUCFAQR-LBPRGKRZSA-N 1 1 284.363 2.634 20 30 CFEDMO Cc1cc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1 ZINC000295920146 381157471 /nfs/dbraw/zinc/15/74/71/381157471.db2.gz DYRJRILTEYVVCS-OAHLLOKOSA-N 1 1 299.399 2.977 20 30 CFEDMO C#Cc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000289803034 381165792 /nfs/dbraw/zinc/16/57/92/381165792.db2.gz SLXSNTSOFIJLHA-JWTNVVGKSA-N 1 1 268.404 2.725 20 30 CFEDMO C#Cc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000289803034 381165803 /nfs/dbraw/zinc/16/58/03/381165803.db2.gz SLXSNTSOFIJLHA-JWTNVVGKSA-N 1 1 268.404 2.725 20 30 CFEDMO C#Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000289803034 381165813 /nfs/dbraw/zinc/16/58/13/381165813.db2.gz SLXSNTSOFIJLHA-JWTNVVGKSA-N 1 1 268.404 2.725 20 30 CFEDMO C#Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC000289803034 381165821 /nfs/dbraw/zinc/16/58/21/381165821.db2.gz SLXSNTSOFIJLHA-JWTNVVGKSA-N 1 1 268.404 2.725 20 30 CFEDMO C=CC(C)(C)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000295868127 381126578 /nfs/dbraw/zinc/12/65/78/381126578.db2.gz YOSHFQPSRCUJAE-UHFFFAOYSA-N 1 1 278.396 2.772 20 30 CFEDMO C=CCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000279356799 194398730 /nfs/dbraw/zinc/39/87/30/194398730.db2.gz SKMHORLDWQTXBJ-MRXNPFEDSA-N 1 1 287.407 2.651 20 30 CFEDMO C=CCCCNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000279356799 194398731 /nfs/dbraw/zinc/39/87/31/194398731.db2.gz SKMHORLDWQTXBJ-MRXNPFEDSA-N 1 1 287.407 2.651 20 30 CFEDMO CCOC(=O)C[C@@H](C)[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000182661634 381133368 /nfs/dbraw/zinc/13/33/68/381133368.db2.gz JUQARMGJBRDWDD-CYBMUJFWSA-N 1 1 293.794 2.965 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)c1cccnc1 ZINC000182885928 381178736 /nfs/dbraw/zinc/17/87/36/381178736.db2.gz SSJAAVUABQGNTE-NSHDSACASA-N 1 1 255.296 2.943 20 30 CFEDMO C=CC(C)(C)C(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000295974350 381193112 /nfs/dbraw/zinc/19/31/12/381193112.db2.gz KQMPIEHDJNTPGZ-MRXNPFEDSA-N 1 1 286.419 2.584 20 30 CFEDMO C=CC(C)(C)C(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000295974350 381193119 /nfs/dbraw/zinc/19/31/19/381193119.db2.gz KQMPIEHDJNTPGZ-MRXNPFEDSA-N 1 1 286.419 2.584 20 30 CFEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cnccc1C#N ZINC000354324487 381202276 /nfs/dbraw/zinc/20/22/76/381202276.db2.gz OHYJPMDGUJOLGH-BETUJISGSA-N 1 1 258.369 2.628 20 30 CFEDMO C=CCCC[N@@H+]1C[C@H](CC)O[C@]2(CCCOC2)C1 ZINC000369168346 381204446 /nfs/dbraw/zinc/20/44/46/381204446.db2.gz YPAZRAUZEDOCCT-LSDHHAIUSA-N 1 1 253.386 2.613 20 30 CFEDMO C[C@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CCC1(F)F ZINC000289896790 381206910 /nfs/dbraw/zinc/20/69/10/381206910.db2.gz SHEHSCYGHWEIAJ-FZMZJTMJSA-N 1 1 280.318 2.569 20 30 CFEDMO C=CC[C@@H](C)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000342065669 381207653 /nfs/dbraw/zinc/20/76/53/381207653.db2.gz BILVDPYFTZHBHQ-HUUCEWRRSA-N 1 1 281.444 2.905 20 30 CFEDMO C#C[C@H]([NH2+]Cc1c(CC)nn(C)c1Cl)C(C)(C)C ZINC000289988436 381251764 /nfs/dbraw/zinc/25/17/64/381251764.db2.gz CCRHKNQJASGXMT-LBPRGKRZSA-N 1 1 267.804 2.773 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCCO[C@H]3CCC[C@H]32)c(F)c1 ZINC000369455447 381261961 /nfs/dbraw/zinc/26/19/61/381261961.db2.gz BZOOTTXZUCPAGM-CVEARBPZSA-N 1 1 274.339 2.841 20 30 CFEDMO N#Cc1ccc(F)c(C[N@H+]2CCCO[C@H]3CCC[C@@H]32)c1 ZINC000369466127 381267493 /nfs/dbraw/zinc/26/74/93/381267493.db2.gz JEMOEYLLTHYUMW-HOTGVXAUSA-N 1 1 274.339 2.841 20 30 CFEDMO C=C[C@H](CO)[NH2+]Cc1csc(-c2cccs2)n1 ZINC000289927310 381221133 /nfs/dbraw/zinc/22/11/33/381221133.db2.gz SRZUCXACHKDZMW-SECBINFHSA-N 1 1 266.391 2.508 20 30 CFEDMO CC[C@H]([NH2+][C@@H](C(N)=O)c1ccccc1)c1ccc(C#N)cc1 ZINC000359041770 381229756 /nfs/dbraw/zinc/22/97/56/381229756.db2.gz YCLJDCSFJXEDFL-DLBZAZTESA-N 1 1 293.370 2.826 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CC#N)c2)C[C@H]1C ZINC000354410219 381249216 /nfs/dbraw/zinc/24/92/16/381249216.db2.gz YQBREAWCSUUMLI-RHSMWYFYSA-N 1 1 299.418 2.697 20 30 CFEDMO CC(=O)NCC[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000347683698 381297105 /nfs/dbraw/zinc/29/71/05/381297105.db2.gz YDGWIYYOMQGCOE-ZBFHGGJFSA-N 1 1 299.418 2.857 20 30 CFEDMO C=CCOc1cccc(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c1 ZINC000354447502 381273763 /nfs/dbraw/zinc/27/37/63/381273763.db2.gz OHVFQWAEOCVITA-GASCZTMLSA-N 1 1 274.408 2.776 20 30 CFEDMO C=CCOc1cccc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000354447502 381273772 /nfs/dbraw/zinc/27/37/72/381273772.db2.gz OHVFQWAEOCVITA-GASCZTMLSA-N 1 1 274.408 2.776 20 30 CFEDMO CO[C@@H](C)C[N@@H+](CCOc1ccccc1C#N)C(C)C ZINC000354446051 381274145 /nfs/dbraw/zinc/27/41/45/381274145.db2.gz FBSOFAPHMVVELJ-AWEZNQCLSA-N 1 1 276.380 2.682 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)c2nccc(C#N)c2Cl)C[C@@H]1C ZINC000342343078 381285745 /nfs/dbraw/zinc/28/57/45/381285745.db2.gz AHOSHIRIDYSTNV-AAEUAGOBSA-N 1 1 292.814 2.916 20 30 CFEDMO C=C(C)COc1cc(C[NH2+]C[C@@H](C)C#N)ccc1OC ZINC000183816308 381324776 /nfs/dbraw/zinc/32/47/76/381324776.db2.gz NSVPYHCGLRGAGP-ZDUSSCGKSA-N 1 1 274.364 2.899 20 30 CFEDMO CCOc1ccc(C[NH2+]C[C@@H](C)C#N)cc1OCC ZINC000183822405 381325104 /nfs/dbraw/zinc/32/51/04/381325104.db2.gz IQKBPYDLCNWGFE-LBPRGKRZSA-N 1 1 262.353 2.733 20 30 CFEDMO CC[N@@H+](CCc1cn[nH]c1)[C@H](C)c1ccc(C#N)cc1 ZINC000347737165 381326135 /nfs/dbraw/zinc/32/61/35/381326135.db2.gz PHMHRFKLKGLLIH-CYBMUJFWSA-N 1 1 268.364 2.907 20 30 CFEDMO CCOc1c(Cl)cc(C[NH2+]C[C@H](C)C#N)cc1OC ZINC000183835151 381328651 /nfs/dbraw/zinc/32/86/51/381328651.db2.gz BXYUKVCKDRIIGO-SNVBAGLBSA-N 1 1 282.771 2.997 20 30 CFEDMO C#Cc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1 ZINC000290177414 381331309 /nfs/dbraw/zinc/33/13/09/381331309.db2.gz YVAQKCJRKHOIKF-UHFFFAOYSA-N 1 1 257.377 2.916 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CC[C@](CO)(CCC)C2)cc1 ZINC000290229508 381350275 /nfs/dbraw/zinc/35/02/75/381350275.db2.gz SQIKDWWOXUNHGX-QGZVFWFLSA-N 1 1 257.377 2.652 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)C(C)(C)C ZINC000290245921 381357597 /nfs/dbraw/zinc/35/75/97/381357597.db2.gz VDUBAJXKJGIBIK-SNVBAGLBSA-N 1 1 273.302 2.583 20 30 CFEDMO C#Cc1ccc(CNC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000290296963 381373285 /nfs/dbraw/zinc/37/32/85/381373285.db2.gz HLVZBBYFPPQQQN-SFHVURJKSA-N 1 1 270.420 2.878 20 30 CFEDMO C#Cc1ccc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000290296963 381373295 /nfs/dbraw/zinc/37/32/95/381373295.db2.gz HLVZBBYFPPQQQN-SFHVURJKSA-N 1 1 270.420 2.878 20 30 CFEDMO C#CCOc1ccc(C[N@H+](C)C2CCC(CO)CC2)cc1 ZINC000290304188 381375494 /nfs/dbraw/zinc/37/54/94/381375494.db2.gz BNNPCRCFGKVVDE-UHFFFAOYSA-N 1 1 287.403 2.682 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1nc(C)cs1 ZINC000184249562 381393084 /nfs/dbraw/zinc/39/30/84/381393084.db2.gz CGGMPHGQPNZDPE-CHWSQXEVSA-N 1 1 295.452 2.915 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000296452726 381401757 /nfs/dbraw/zinc/40/17/57/381401757.db2.gz MUNDBOUFCVXJRA-IIDMSEBBSA-N 1 1 286.419 2.517 20 30 CFEDMO C#CCOc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000296452726 381401760 /nfs/dbraw/zinc/40/17/60/381401760.db2.gz MUNDBOUFCVXJRA-IIDMSEBBSA-N 1 1 286.419 2.517 20 30 CFEDMO C#CCOc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000296452726 381401763 /nfs/dbraw/zinc/40/17/63/381401763.db2.gz MUNDBOUFCVXJRA-IIDMSEBBSA-N 1 1 286.419 2.517 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000296452726 381401764 /nfs/dbraw/zinc/40/17/64/381401764.db2.gz MUNDBOUFCVXJRA-IIDMSEBBSA-N 1 1 286.419 2.517 20 30 CFEDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc(C#N)s2)C1 ZINC000290542391 381471425 /nfs/dbraw/zinc/47/14/25/381471425.db2.gz RJDWXDGCUUWDBO-WFASDCNBSA-N 1 1 275.421 2.536 20 30 CFEDMO C=CCOCCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000348234289 381474001 /nfs/dbraw/zinc/47/40/01/381474001.db2.gz AWPSUAVKTADFDV-WDEREUQCSA-N 1 1 251.292 2.852 20 30 CFEDMO Cn1nccc1[C@@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)C1 ZINC000342688277 381480898 /nfs/dbraw/zinc/48/08/98/381480898.db2.gz BZPONCFBXNFEQU-QGZVFWFLSA-N 1 1 294.402 2.866 20 30 CFEDMO C=CCOCCC[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000348042071 381454243 /nfs/dbraw/zinc/45/42/43/381454243.db2.gz GDRZFIGOJMCLJP-QGZVFWFLSA-N 1 1 275.392 2.523 20 30 CFEDMO C=CCOCCC[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000348049746 381456838 /nfs/dbraw/zinc/45/68/38/381456838.db2.gz JKXQPFUNYAPZPN-UHFFFAOYSA-N 1 1 267.319 2.916 20 30 CFEDMO C=CCOCCC[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000348049746 381456841 /nfs/dbraw/zinc/45/68/41/381456841.db2.gz JKXQPFUNYAPZPN-UHFFFAOYSA-N 1 1 267.319 2.916 20 30 CFEDMO C=CCOCCC[N@H+](C)C[C@H](C)c1nccs1 ZINC000348045987 381457104 /nfs/dbraw/zinc/45/71/04/381457104.db2.gz CZDFDIDJBLNNNL-LBPRGKRZSA-N 1 1 254.399 2.771 20 30 CFEDMO C=CCOCCC[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000348061504 381461172 /nfs/dbraw/zinc/46/11/72/381461172.db2.gz YXZVRKKKENFUOB-AWEZNQCLSA-N 1 1 261.365 2.862 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1ccc(COCCOC)cc1 ZINC000348133843 381464547 /nfs/dbraw/zinc/46/45/47/381464547.db2.gz LWRTXHGLBVBIQZ-UHFFFAOYSA-N 1 1 263.381 2.858 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000342735226 381507352 /nfs/dbraw/zinc/50/73/52/381507352.db2.gz OZQRJUCMWXKZJH-LBPRGKRZSA-N 1 1 262.353 2.530 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000342734055 381507540 /nfs/dbraw/zinc/50/75/40/381507540.db2.gz GNXDRARHXCDFJB-KBPBESRZSA-N 1 1 272.392 2.861 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1OC ZINC000342739039 381509451 /nfs/dbraw/zinc/50/94/51/381509451.db2.gz VCKILFIZTAGZCL-AWEZNQCLSA-N 1 1 290.407 2.723 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000342741329 381511084 /nfs/dbraw/zinc/51/10/84/381511084.db2.gz UHZVXCUZQJGXSL-CQSZACIVSA-N 1 1 260.381 2.508 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](N3CCCCC3=O)C2)c1 ZINC000370902833 381511856 /nfs/dbraw/zinc/51/18/56/381511856.db2.gz CVCHHYUZTJPGRQ-KRWDZBQOSA-N 1 1 297.402 2.535 20 30 CFEDMO C[C@H](CO)[N@H+](Cc1cc(C#N)cs1)CC1CCC1 ZINC000348333932 381513223 /nfs/dbraw/zinc/51/32/23/381513223.db2.gz DCLYGHWKTMRGRS-LLVKDONJSA-N 1 1 264.394 2.603 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000342754605 381519277 /nfs/dbraw/zinc/51/92/77/381519277.db2.gz AUAFDJBDILQPEO-CYBMUJFWSA-N 1 1 276.380 2.839 20 30 CFEDMO COc1cc(C[N@@H+](C)CCCn2ccnc2C)ccc1C#N ZINC000290609846 381497593 /nfs/dbraw/zinc/49/75/93/381497593.db2.gz WMEVDJNHFHHTLE-UHFFFAOYSA-N 1 1 298.390 2.594 20 30 CFEDMO C=CCNC(=O)C[N@H+]1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C ZINC000296666581 381498730 /nfs/dbraw/zinc/49/87/30/381498730.db2.gz KLIKZYUHHRBYJA-IIAWOOMASA-N 1 1 272.392 2.555 20 30 CFEDMO COC(=O)[C@H](C1CC1)[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000359601872 381500504 /nfs/dbraw/zinc/50/05/04/381500504.db2.gz SXKCGLIWSMDIQJ-KRWDZBQOSA-N 1 1 296.370 2.599 20 30 CFEDMO COC(=O)[C@H](C1CC1)[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000359601872 381500506 /nfs/dbraw/zinc/50/05/06/381500506.db2.gz SXKCGLIWSMDIQJ-KRWDZBQOSA-N 1 1 296.370 2.599 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)Oc2ccc(C#N)cc2)C1 ZINC000290619867 381501362 /nfs/dbraw/zinc/50/13/62/381501362.db2.gz WZEMACJFQKDJGM-MRXNPFEDSA-N 1 1 290.338 2.676 20 30 CFEDMO N#CCc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000342756078 381520241 /nfs/dbraw/zinc/52/02/41/381520241.db2.gz SKIJGBPCIPSZMB-DLBZAZTESA-N 1 1 270.376 2.611 20 30 CFEDMO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000290756400 381539835 /nfs/dbraw/zinc/53/98/35/381539835.db2.gz TVLAXBUJXNEIPK-LLVKDONJSA-N 1 1 276.340 2.607 20 30 CFEDMO C=C[C@](C)(O)CC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000290775041 381546699 /nfs/dbraw/zinc/54/66/99/381546699.db2.gz BPHWNHVPBWSROO-HNNXBMFYSA-N 1 1 296.798 2.667 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000359677089 381549670 /nfs/dbraw/zinc/54/96/70/381549670.db2.gz GDWYLXXHONBCRA-KGLIPLIRSA-N 1 1 267.417 2.515 20 30 CFEDMO C[NH+](C)[C@@H](C(=O)NCC(C)(C)C#N)c1cccc(Cl)c1 ZINC000359654772 381535501 /nfs/dbraw/zinc/53/55/01/381535501.db2.gz YCNRTVLDFQZLPX-CYBMUJFWSA-N 1 1 293.798 2.609 20 30 CFEDMO CC(C)[C@@H]1[N@@H+](C[C@H](C#N)CCC#N)CC12CCOCC2 ZINC000414184492 381569328 /nfs/dbraw/zinc/56/93/28/381569328.db2.gz NWLVPUQPXPRLEA-GJZGRUSLSA-N 1 1 275.396 2.567 20 30 CFEDMO C=CC[N@H+](CCCN(CC)CC(F)(F)F)C1CC1 ZINC000355064942 381592154 /nfs/dbraw/zinc/59/21/54/381592154.db2.gz YDRRPPASBGRJGQ-UHFFFAOYSA-N 1 1 264.335 2.911 20 30 CFEDMO Cc1c[nH+]ccc1OC1CCN(c2cccnc2C#N)CC1 ZINC000290908442 381594569 /nfs/dbraw/zinc/59/45/69/381594569.db2.gz GNOIUGSHEQGMDP-UHFFFAOYSA-N 1 1 294.358 2.705 20 30 CFEDMO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H]3C3CC3)n2c1 ZINC000371419546 381620328 /nfs/dbraw/zinc/62/03/28/381620328.db2.gz NOIXXOUSKMWZIM-HNNXBMFYSA-N 1 1 266.348 2.580 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000355117683 381623462 /nfs/dbraw/zinc/62/34/62/381623462.db2.gz ZIZMXFIQHXTFLS-DZGCQCFKSA-N 1 1 256.349 2.941 20 30 CFEDMO Cc1[nH+]c(CNc2nc(C)ccc2C#N)c2n1CCCC2 ZINC000371436393 381624795 /nfs/dbraw/zinc/62/47/95/381624795.db2.gz ZGDJFXQPOWIIEJ-UHFFFAOYSA-N 1 1 281.363 2.715 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(C#N)n1 ZINC000185420569 381628589 /nfs/dbraw/zinc/62/85/89/381628589.db2.gz FHJCYPZRMLNGCE-PBHICJAKSA-N 1 1 292.386 2.886 20 30 CFEDMO C=CC[N@H+](C)C[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000291077642 381658133 /nfs/dbraw/zinc/65/81/33/381658133.db2.gz GEHBZAVCJHOUQF-LBPRGKRZSA-N 1 1 259.271 2.857 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC2(C#N)CC2)C1 ZINC000343312777 381673983 /nfs/dbraw/zinc/67/39/83/381673983.db2.gz CVTRXDVXBICUQV-CVEARBPZSA-N 1 1 275.440 2.877 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000343246233 381669895 /nfs/dbraw/zinc/66/98/95/381669895.db2.gz HDSGHLYLLBSZQJ-KBPBESRZSA-N 1 1 252.402 2.722 20 30 CFEDMO C[C@@H](C#N)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371694305 381681248 /nfs/dbraw/zinc/68/12/48/381681248.db2.gz SUYWVVCYAJPFNW-DOTOQJQBSA-N 1 1 271.408 2.885 20 30 CFEDMO N#Cc1cccc(CCNc2cc[nH+]cc2Cl)c1 ZINC000359929064 381684007 /nfs/dbraw/zinc/68/40/07/381684007.db2.gz CUOKEHKEUJYZDY-UHFFFAOYSA-N 1 1 257.724 2.683 20 30 CFEDMO N#Cc1ccc(C[NH+]2CCC(O)(c3ccccc3)CC2)o1 ZINC000185641599 381691430 /nfs/dbraw/zinc/69/14/30/381691430.db2.gz RFWBZJJBEZITOI-UHFFFAOYSA-N 1 1 282.343 2.635 20 30 CFEDMO C=C(C)CN1CCC([NH2+]Cc2cc(F)ccc2OC)CC1 ZINC000291172098 381695218 /nfs/dbraw/zinc/69/52/18/381695218.db2.gz JWTDWCQKOPPGLJ-UHFFFAOYSA-N 1 1 292.398 2.964 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ZINC000343565071 381801956 /nfs/dbraw/zinc/80/19/56/381801956.db2.gz QJYJLLVZHVTXON-NSHDSACASA-N 1 1 257.337 2.599 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C(=O)OC)c(C)n1C ZINC000361135684 381802826 /nfs/dbraw/zinc/80/28/26/381802826.db2.gz HTUHSRAKWYEEPU-ZDUSSCGKSA-N 1 1 276.380 2.661 20 30 CFEDMO C[C@H]1C[C@@H](O)CC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000292533405 381807590 /nfs/dbraw/zinc/80/75/90/381807590.db2.gz XDDNNLSAUNJISU-WFASDCNBSA-N 1 1 297.320 2.902 20 30 CFEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cccc(N2CCCC2=O)c1 ZINC000343590062 381819389 /nfs/dbraw/zinc/81/93/89/381819389.db2.gz XEAGKCYTOJRJBA-ZDUSSCGKSA-N 1 1 283.375 2.768 20 30 CFEDMO C=CCOCC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000292867206 381875256 /nfs/dbraw/zinc/87/52/56/381875256.db2.gz SCNKECWIKVCDPA-KBPBESRZSA-N 1 1 281.421 2.839 20 30 CFEDMO Cn1cc(C[N@@H+](C)CCCOCc2ccccc2)cc1C#N ZINC000343676877 381883983 /nfs/dbraw/zinc/88/39/83/381883983.db2.gz LQBNNHFWDGQHRX-UHFFFAOYSA-N 1 1 297.402 2.935 20 30 CFEDMO C=C(CC)C[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361611066 381849885 /nfs/dbraw/zinc/84/98/85/381849885.db2.gz PBNCBUBSKUQPJL-OAHLLOKOSA-N 1 1 253.386 2.613 20 30 CFEDMO C=CCOc1ccccc1C[N@H+](CC=C)CCOC ZINC000361634715 381851581 /nfs/dbraw/zinc/85/15/81/381851581.db2.gz BYFFWWRIASTWLC-UHFFFAOYSA-N 1 1 261.365 2.886 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1cc2c(cccc2F)[nH]1 ZINC000361640604 381852806 /nfs/dbraw/zinc/85/28/06/381852806.db2.gz VDQIOIMGWIOCFJ-UHFFFAOYSA-N 1 1 262.328 2.941 20 30 CFEDMO C=CC[N@@H+](CCOC)CCO[C@H]1CCCC[C@H]1C ZINC000362050686 381886297 /nfs/dbraw/zinc/88/62/97/381886297.db2.gz SADINVVQHIGLHO-CABCVRRESA-N 1 1 255.402 2.716 20 30 CFEDMO O[C@H]([C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1)C(F)(F)F ZINC000361860939 381867788 /nfs/dbraw/zinc/86/77/88/381867788.db2.gz SFUFQRNPVUMYKK-LSDHHAIUSA-N 1 1 297.320 2.816 20 30 CFEDMO O[C@H]([C@@H]1CCCC[N@H+]1CC#Cc1ccccc1)C(F)(F)F ZINC000361860939 381867794 /nfs/dbraw/zinc/86/77/94/381867794.db2.gz SFUFQRNPVUMYKK-LSDHHAIUSA-N 1 1 297.320 2.816 20 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287.382 2.615 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000373073917 381922468 /nfs/dbraw/zinc/92/24/68/381922468.db2.gz HZCNXQXZMCCIPE-HUUCEWRRSA-N 1 1 291.439 2.697 20 30 CFEDMO C=CC[C@H](CC)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000343761529 381928917 /nfs/dbraw/zinc/92/89/17/381928917.db2.gz AJOHXWWCHDAABA-LSDHHAIUSA-N 1 1 260.381 2.760 20 30 CFEDMO C#CCC[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000362057582 381889123 /nfs/dbraw/zinc/88/91/23/381889123.db2.gz BOFSSFDHRNVYHN-UHFFFAOYSA-N 1 1 290.794 2.511 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CC)C[C@H](C)CC ZINC000343690472 381889898 /nfs/dbraw/zinc/88/98/98/381889898.db2.gz RJOKGZJKSJYDON-HUUCEWRRSA-N 1 1 266.429 2.944 20 30 CFEDMO Cc1oc(NC(=O)C[N@H+](C)[C@H](C)C2CCC2)c(C#N)c1C ZINC000357018685 381967675 /nfs/dbraw/zinc/96/76/75/381967675.db2.gz AVVIVUPWTLIZAA-LLVKDONJSA-N 1 1 289.379 2.827 20 30 CFEDMO C[C@@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(C#N)cc1 ZINC000186523291 381935578 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C=CCNC(=O)C[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000352792379 382473795 /nfs/dbraw/zinc/47/37/95/382473795.db2.gz MBRFFAOUINNIIV-GDBMZVCRSA-N 1 1 272.392 2.762 20 30 CFEDMO C[NH+]1CCC(NCc2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000352840577 382478236 /nfs/dbraw/zinc/47/82/36/382478236.db2.gz NWLNWCILAUZPRT-UHFFFAOYSA-N 1 1 297.324 2.761 20 30 CFEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)C[C@@H](C)OC ZINC000352902450 382480985 /nfs/dbraw/zinc/48/09/85/382480985.db2.gz NASABGVZMREIBS-CQSZACIVSA-N 1 1 265.401 2.877 20 30 CFEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@H]1C[C@@H](O)C1 ZINC000420900994 382491708 /nfs/dbraw/zinc/49/17/08/382491708.db2.gz JHVGRDLFDGQWIY-CALCHBBNSA-N 1 1 272.392 2.787 20 30 CFEDMO Cn1cc([C@H]([NH2+]CCCC#N)c2cccc(F)c2)cn1 ZINC000346807734 382522203 /nfs/dbraw/zinc/52/22/03/382522203.db2.gz CRLJUODRKDPDOV-OAHLLOKOSA-N 1 1 272.327 2.542 20 30 CFEDMO CC1=CC[N@H+](CCN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358243344 382523379 /nfs/dbraw/zinc/52/33/79/382523379.db2.gz VFUXARJKGCCYEB-CQSZACIVSA-N 1 1 287.382 3.000 20 30 CFEDMO CC1=CC[N@@H+](CCN[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358243344 382523382 /nfs/dbraw/zinc/52/33/82/382523382.db2.gz VFUXARJKGCCYEB-CQSZACIVSA-N 1 1 287.382 3.000 20 30 CFEDMO COCc1ccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)o1 ZINC000353193010 382525597 /nfs/dbraw/zinc/52/55/97/382525597.db2.gz NHYRWINRSIUEOC-UHFFFAOYSA-N 1 1 286.331 2.596 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000420936579 382500762 /nfs/dbraw/zinc/50/07/62/382500762.db2.gz ZVVFDBYLRRRQKG-KFWWJZLASA-N 1 1 297.439 2.756 20 30 CFEDMO CN(CC#Cc1cccc(Cl)c1)C[C@H]1CCC[N@H+]1C ZINC000421000279 382502739 /nfs/dbraw/zinc/50/27/39/382502739.db2.gz KDOIYSRDGKIFIU-MRXNPFEDSA-N 1 1 276.811 2.718 20 30 CFEDMO N#CCCCC[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000366387635 382503474 /nfs/dbraw/zinc/50/34/74/382503474.db2.gz PVSYJWQPXJYRKC-UHFFFAOYSA-N 1 1 270.283 2.670 20 30 CFEDMO OCC[C@H]1CCC[N@@H+](CC#Cc2ccccc2)CC1 ZINC000421010567 382505465 /nfs/dbraw/zinc/50/54/65/382505465.db2.gz GDUIUMBRBAEYOB-KRWDZBQOSA-N 1 1 257.377 2.523 20 30 CFEDMO C=CCOCCC[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421021876 382506919 /nfs/dbraw/zinc/50/69/19/382506919.db2.gz OPSISIYJOOUBIB-GJZGRUSLSA-N 1 1 297.439 2.879 20 30 CFEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)Nc1cc(C#N)ncn1 ZINC000379665126 382507956 /nfs/dbraw/zinc/50/79/56/382507956.db2.gz RLRYOIPTZOWYEW-UHFFFAOYSA-N 1 1 295.390 2.671 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366424194 382509414 /nfs/dbraw/zinc/50/94/14/382509414.db2.gz YCSZPIFKOPDTOR-SFHVURJKSA-N 1 1 269.388 2.787 20 30 CFEDMO C=C(C)C[NH+]1CCC(NCc2ccc(C#N)c(F)c2)CC1 ZINC000421326708 382510690 /nfs/dbraw/zinc/51/06/90/382510690.db2.gz OPMVAVLFSYZQJJ-UHFFFAOYSA-N 1 1 287.382 2.827 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421399497 382518078 /nfs/dbraw/zinc/51/80/78/382518078.db2.gz QEAYXSXZHCKQED-CQSZACIVSA-N 1 1 252.402 2.801 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000366488638 382519509 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C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCOC[C@@H](C)C1 ZINC000328665891 382561623 /nfs/dbraw/zinc/56/16/23/382561623.db2.gz CNVQBOJRHCSUSP-UONOGXRCSA-N 1 1 293.411 2.526 20 30 CFEDMO C[N@@H+](CCNC(=O)[C@@]1(C)CCC(=O)NC1)C1CCCCC1 ZINC000328683258 382563378 /nfs/dbraw/zinc/56/33/78/382563378.db2.gz WCCLTRLJQORDIW-INIZCTEOSA-N 1 1 295.427 2.964 20 30 CFEDMO CC(C)C[N@@H+](CC(=O)NC1(C#N)CCC1)Cc1ccccc1 ZINC000346906798 382567351 /nfs/dbraw/zinc/56/73/51/382567351.db2.gz QURCJQRPXGAAAP-UHFFFAOYSA-N 1 1 299.418 2.707 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N[C@@H](C)C[N@H+](CC)CCC ZINC000358331509 382572006 /nfs/dbraw/zinc/57/20/06/382572006.db2.gz GMDCANVASOQOSK-KBPBESRZSA-N 1 1 254.418 2.825 20 30 CFEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)CC1(C)C ZINC000295091253 382574309 /nfs/dbraw/zinc/57/43/09/382574309.db2.gz TVJMWOYUDOBYMQ-OAHLLOKOSA-N 1 1 258.365 2.805 20 30 CFEDMO C=CCC[C@H](C)[NH2+]Cc1ncn(-c2ccccc2)n1 ZINC000294873849 382536962 /nfs/dbraw/zinc/53/69/62/382536962.db2.gz CYGHWHBZPLWPJB-ZDUSSCGKSA-N 1 1 256.353 2.712 20 30 CFEDMO C=CC(C)(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000295222512 382591182 /nfs/dbraw/zinc/59/11/82/382591182.db2.gz YGRBVQYYCXTROV-ZBFHGGJFSA-N 1 1 286.419 2.978 20 30 CFEDMO C[N@@H+](CC#Cc1cccc(Cl)c1)CC(C)(C)CO ZINC000295246695 382597964 /nfs/dbraw/zinc/59/79/64/382597964.db2.gz PYMROPJQMVXMRP-UHFFFAOYSA-N 1 1 265.784 2.642 20 30 CFEDMO CC(C)C[C@@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000295266542 382603177 /nfs/dbraw/zinc/60/31/77/382603177.db2.gz YRMKRGVEXRLMLY-HIFRSBDPSA-N 1 1 273.380 2.841 20 30 CFEDMO CC(C)C[C@H](C)[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000295266547 382603204 /nfs/dbraw/zinc/60/32/04/382603204.db2.gz YRMKRGVEXRLMLY-ZFWWWQNUSA-N 1 1 273.380 2.841 20 30 CFEDMO CC[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1nccs1 ZINC000189593508 382628387 /nfs/dbraw/zinc/62/83/87/382628387.db2.gz YDEOPJDLUUTVBS-LBPRGKRZSA-N 1 1 260.366 2.594 20 30 CFEDMO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000189643219 382631788 /nfs/dbraw/zinc/63/17/88/382631788.db2.gz FBFFUHJVYJZNAN-HNNXBMFYSA-N 1 1 278.783 2.949 20 30 CFEDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000189643219 382631789 /nfs/dbraw/zinc/63/17/89/382631789.db2.gz FBFFUHJVYJZNAN-HNNXBMFYSA-N 1 1 278.783 2.949 20 30 CFEDMO CC1=CC[N@@H+](CCNc2c(C#N)nnc3ccccc32)CC1 ZINC000358344302 382579978 /nfs/dbraw/zinc/57/99/78/382579978.db2.gz OPVHJGCDDMNSDI-UHFFFAOYSA-N 1 1 293.374 2.565 20 30 CFEDMO CO[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CC[C@@H]1C ZINC000190048533 382651897 /nfs/dbraw/zinc/65/18/97/382651897.db2.gz DODVARXCKXFYSR-XEZPLFJOSA-N 1 1 258.365 2.976 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000190981796 382687367 /nfs/dbraw/zinc/68/73/67/382687367.db2.gz ZEKHAFKYXCISLK-SQWLQELKSA-N 1 1 266.429 2.825 20 30 CFEDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000190233421 382658031 /nfs/dbraw/zinc/65/80/31/382658031.db2.gz JTXMVAOMJHNNAO-CQSZACIVSA-N 1 1 264.394 2.604 20 30 CFEDMO CCOCCOCC[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000190261130 382659816 /nfs/dbraw/zinc/65/98/16/382659816.db2.gz CKFKCWIIPPLDDW-AWEZNQCLSA-N 1 1 276.380 2.604 20 30 CFEDMO N#CCCC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000399473777 382639154 /nfs/dbraw/zinc/63/91/54/382639154.db2.gz QVBPNZBLCPERQZ-UHFFFAOYSA-N 1 1 271.364 2.641 20 30 CFEDMO C=CC[N@@H+](CCOC)CCC(=O)Nc1ccc(Cl)cc1 ZINC000191148330 382693086 /nfs/dbraw/zinc/69/30/86/382693086.db2.gz QVOTUOHMITUJGL-UHFFFAOYSA-N 1 1 296.798 2.803 20 30 CFEDMO C[C@@H]1CC(O)C[C@H](C)[N@@H+]1CCCOc1cccc(C#N)c1 ZINC000191271626 382697459 /nfs/dbraw/zinc/69/74/59/382697459.db2.gz LNNISIJXAHDFAM-MZBDJJRSSA-N 1 1 288.391 2.561 20 30 CFEDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)CCCSCC#N ZINC000191506478 382701229 /nfs/dbraw/zinc/70/12/29/382701229.db2.gz YXHHKDYLMBDWJY-MRXNPFEDSA-N 1 1 292.448 2.823 20 30 CFEDMO CC(C)C[C@@]1(CO)CCC[N@H+]1CCCSCC#N ZINC000191667448 382701876 /nfs/dbraw/zinc/70/18/76/382701876.db2.gz RZBFZVMPGMYPDK-CQSZACIVSA-N 1 1 270.442 2.506 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000192187781 382705243 /nfs/dbraw/zinc/70/52/43/382705243.db2.gz LRBJAQFWKZDIMH-UHFFFAOYSA-N 1 1 291.398 2.645 20 30 CFEDMO COC(=O)[C@H](C)[N@@H+](CCCC(C)(C)C#N)C1CCC1 ZINC000192385924 382708181 /nfs/dbraw/zinc/70/81/81/382708181.db2.gz BPWIPZZYQAAADZ-LBPRGKRZSA-N 1 1 266.385 2.732 20 30 CFEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](CC1CCC1)C(C)C ZINC000193214102 382717085 /nfs/dbraw/zinc/71/70/85/382717085.db2.gz IMKHIJSSMIGMAA-AWEZNQCLSA-N 1 1 279.428 2.505 20 30 CFEDMO C=CCCCCC[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000193303624 382718352 /nfs/dbraw/zinc/71/83/52/382718352.db2.gz XXLBYRGMXAEHMQ-INIZCTEOSA-N 1 1 272.392 2.645 20 30 CFEDMO C=CCCCCC[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000193445271 382719997 /nfs/dbraw/zinc/71/99/97/382719997.db2.gz INGSMYNGFASWEO-HNNXBMFYSA-N 1 1 262.401 2.737 20 30 CFEDMO C[C@@H]([NH2+]C[C@@H]1CCN(C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000193506824 382720447 /nfs/dbraw/zinc/72/04/47/382720447.db2.gz ZACQAOCQFOWQPL-CABCVRRESA-N 1 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C=C(C)[C@H](CO)[N@H+]1CC[C@@H](c2ccc(CC)cc2)C1 ZINC000645008238 385161299 /nfs/dbraw/zinc/16/12/99/385161299.db2.gz PSWIVNMFTDVPBY-SJORKVTESA-N 1 1 259.393 2.975 20 30 CFEDMO CCCCC[N@@H+](CCO)Cc1ccc(C#N)c(OC)c1 ZINC000282443219 385312470 /nfs/dbraw/zinc/31/24/70/385312470.db2.gz UPDAJGJZIQBWSZ-UHFFFAOYSA-N 1 1 276.380 2.551 20 30 CFEDMO CCC1(CO)CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000270945160 385278466 /nfs/dbraw/zinc/27/84/66/385278466.db2.gz WKWJNWYJAMPLBE-UHFFFAOYSA-N 1 1 276.355 2.682 20 30 CFEDMO COc1cc(C[N@H+]2CC[C@@H](OCC(C)C)C2)ccc1C#N ZINC000282337219 385287772 /nfs/dbraw/zinc/28/77/72/385287772.db2.gz OQAPCVBCANEJSC-MRXNPFEDSA-N 1 1 288.391 2.814 20 30 CFEDMO C#CCC[N@H+](Cc1ccnc(OC(C)C)c1)C1CC1 ZINC000270975663 385288138 /nfs/dbraw/zinc/28/81/38/385288138.db2.gz DZFMGPLGIADVKA-UHFFFAOYSA-N 1 1 258.365 2.857 20 30 CFEDMO COc1cccc(C[N@H+](C)Cc2ccc(C#N)o2)c1 ZINC000270984741 385291602 /nfs/dbraw/zinc/29/16/02/385291602.db2.gz FLCBLHUUWSQVSA-UHFFFAOYSA-N 1 1 256.305 2.792 20 30 CFEDMO COc1cccc(C[N@@H+](C)Cc2ccc(C#N)o2)c1 ZINC000270984741 385291606 /nfs/dbraw/zinc/29/16/06/385291606.db2.gz FLCBLHUUWSQVSA-UHFFFAOYSA-N 1 1 256.305 2.792 20 30 CFEDMO C#CCCC[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000271072593 385329381 /nfs/dbraw/zinc/32/93/81/385329381.db2.gz WCMAGYBCRABILF-UHFFFAOYSA-N 1 1 298.430 2.567 20 30 CFEDMO C#CCCC[N@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000271082712 385332970 /nfs/dbraw/zinc/33/29/70/385332970.db2.gz YRWCRNXHGZTUGX-UHFFFAOYSA-N 1 1 264.756 2.624 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000271144631 385350159 /nfs/dbraw/zinc/35/01/59/385350159.db2.gz ZJVNUJGNRFDQKE-ZWKOTPCHSA-N 1 1 285.387 2.842 20 30 CFEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000271144631 385350164 /nfs/dbraw/zinc/35/01/64/385350164.db2.gz ZJVNUJGNRFDQKE-ZWKOTPCHSA-N 1 1 285.387 2.842 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC3(C2)CCOCC3)s1 ZINC000271171379 385360650 /nfs/dbraw/zinc/36/06/50/385360650.db2.gz AGQNIBRXUFTOHM-UHFFFAOYSA-N 1 1 262.378 2.622 20 30 CFEDMO C=C(Cl)C[NH2+]Cc1c(C)nn(-c2ccccn2)c1C ZINC000282793911 385389989 /nfs/dbraw/zinc/38/99/89/385389989.db2.gz YSTDJIDOWHVXFR-UHFFFAOYSA-N 1 1 276.771 2.726 20 30 CFEDMO C[N@@H+](CCc1cnccn1)Cc1ccccc1C(C)(C)C#N ZINC000271311886 385378739 /nfs/dbraw/zinc/37/87/39/385378739.db2.gz IAAKGAIAAOYJFO-UHFFFAOYSA-N 1 1 294.402 2.952 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)c1cscn1 ZINC000271439461 385381440 /nfs/dbraw/zinc/38/14/40/385381440.db2.gz GCFUQPDUPKCQIP-LLVKDONJSA-N 1 1 273.361 2.896 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H]1Cc2ccccc2[C@H]1O ZINC000272006680 385423863 /nfs/dbraw/zinc/42/38/63/385423863.db2.gz SLLAUVKXTZRJSO-ZWKOTPCHSA-N 1 1 278.355 2.648 20 30 CFEDMO CCc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)[nH]1 ZINC000271912372 385399180 /nfs/dbraw/zinc/39/91/80/385399180.db2.gz YEMRSTDOTISLGH-WDEREUQCSA-N 1 1 269.352 2.651 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000271927891 385403672 /nfs/dbraw/zinc/40/36/72/385403672.db2.gz HAJTVPZYCRPWET-NWDGAFQWSA-N 1 1 263.360 2.688 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(C#N)c(F)c1 ZINC000271927891 385403675 /nfs/dbraw/zinc/40/36/75/385403675.db2.gz HAJTVPZYCRPWET-NWDGAFQWSA-N 1 1 263.360 2.688 20 30 CFEDMO CC#CC(=O)NCc1cccc(C[N@H+](CC)CCCC)c1 ZINC000283172034 385443276 /nfs/dbraw/zinc/44/32/76/385443276.db2.gz KTEHDSQMOJCUKQ-UHFFFAOYSA-N 1 1 286.419 2.948 20 30 CFEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2)C[C@@H]1O ZINC000272301242 385503075 /nfs/dbraw/zinc/50/30/75/385503075.db2.gz GZXCZWXESLGBBC-HOTGVXAUSA-N 1 1 272.392 2.787 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H]1CCN(C2CCC2)C1=O ZINC000639461978 385544984 /nfs/dbraw/zinc/54/49/84/385544984.db2.gz YSDIWHSUMZIFBE-GOSISDBHSA-N 1 1 298.430 2.871 20 30 CFEDMO CCC[C@]1(CO)CC[N@@H+](CC#Cc2ccc(F)cc2)C1 ZINC000288829669 197174452 /nfs/dbraw/zinc/17/44/52/197174452.db2.gz NSGJTCRDSHKBKB-KRWDZBQOSA-N 1 1 275.367 2.662 20 30 CFEDMO C=CCC[N@H+](C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000283999525 385522453 /nfs/dbraw/zinc/52/24/53/385522453.db2.gz GQRKOJJKXCTTNF-SFHVURJKSA-N 1 1 288.435 2.785 20 30 CFEDMO C=CCCN(C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000283999525 385522459 /nfs/dbraw/zinc/52/24/59/385522459.db2.gz GQRKOJJKXCTTNF-SFHVURJKSA-N 1 1 288.435 2.785 20 30 CFEDMO C=CCCN(C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000283999525 385522466 /nfs/dbraw/zinc/52/24/66/385522466.db2.gz GQRKOJJKXCTTNF-SFHVURJKSA-N 1 1 288.435 2.785 20 30 CFEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCC[C@@H]1O ZINC000272486358 385550633 /nfs/dbraw/zinc/55/06/33/385550633.db2.gz HGEZYJHUHQNVDE-HOTGVXAUSA-N 1 1 258.365 2.541 20 30 CFEDMO C=CC[N@@H+](C[C@H]1CCc2ncnn21)CC1CCCCC1 ZINC000639487823 385556421 /nfs/dbraw/zinc/55/64/21/385556421.db2.gz XQWBGJFVQVTPMS-OAHLLOKOSA-N 1 1 274.412 2.834 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272615314 385576696 /nfs/dbraw/zinc/57/66/96/385576696.db2.gz TWKUNPJRUCHJGZ-HZPDHXFCSA-N 1 1 275.392 2.714 20 30 CFEDMO C[C@@H](CNc1ccnc(C#N)c1)[N@H+]1CCc2sccc2C1 ZINC000286135308 385563074 /nfs/dbraw/zinc/56/30/74/385563074.db2.gz NFJKVOWBQYTOFO-LBPRGKRZSA-N 1 1 298.415 2.873 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)Cc1nc(C)ccc1O ZINC000272566209 385565770 /nfs/dbraw/zinc/56/57/70/385565770.db2.gz FIJGMYWJIOUPAT-UHFFFAOYSA-N 1 1 272.348 2.919 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000639594253 385601475 /nfs/dbraw/zinc/60/14/75/385601475.db2.gz YGNRPVSKECJOQV-QAPCUYQASA-N 1 1 299.418 2.685 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000639594252 385602190 /nfs/dbraw/zinc/60/21/90/385602190.db2.gz YGNRPVSKECJOQV-MAUKXSAKSA-N 1 1 299.418 2.685 20 30 CFEDMO C[N@@H+](Cc1ccc(Cl)cc1C#N)[C@@H]1CCC[C@H]1O ZINC000286387029 385604889 /nfs/dbraw/zinc/60/48/89/385604889.db2.gz GWLPAVLRYJZMBS-ZIAGYGMSSA-N 1 1 264.756 2.557 20 30 CFEDMO C=CCC(CC=C)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000272629180 385579284 /nfs/dbraw/zinc/57/92/84/385579284.db2.gz BCYJPUQZMXPXNM-CYBMUJFWSA-N 1 1 262.397 2.521 20 30 CFEDMO CC(=O)c1ccc(C#N)c(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000286419055 385614102 /nfs/dbraw/zinc/61/41/02/385614102.db2.gz PQWIPRXAICHFNT-SJPCQFCGSA-N 1 1 297.402 2.822 20 30 CFEDMO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000288701439 197148090 /nfs/dbraw/zinc/14/80/90/197148090.db2.gz YPNQLUZOOJKTBF-ZUZCIYMTSA-N 1 1 254.289 2.763 20 30 CFEDMO CN(CCC[N@@H+](C)Cc1ccco1)c1ccc(C#N)nc1 ZINC000286565040 385651046 /nfs/dbraw/zinc/65/10/46/385651046.db2.gz PSZQMAXCSXZLPO-UHFFFAOYSA-N 1 1 284.363 2.505 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H](c3cccnc3)C2)nn1 ZINC000639689482 385662726 /nfs/dbraw/zinc/66/27/26/385662726.db2.gz BFTPYMKTXIYJMN-MRXNPFEDSA-N 1 1 297.406 2.629 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H](c3cccnc3)C2)nn1 ZINC000639689482 385662732 /nfs/dbraw/zinc/66/27/32/385662732.db2.gz BFTPYMKTXIYJMN-MRXNPFEDSA-N 1 1 297.406 2.629 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1Cc2ccccc2OC[C@@H]1C ZINC000272947913 385663194 /nfs/dbraw/zinc/66/31/94/385663194.db2.gz MAQABICXOCQWAX-DZGCQCFKSA-N 1 1 261.365 2.597 20 30 CFEDMO CC[N@@H+]1[C@H](C)CN(CC#Cc2ccc(F)cc2)C[C@@H]1C ZINC000639743152 385687426 /nfs/dbraw/zinc/68/74/26/385687426.db2.gz JPKCGTAKDQVDIR-GASCZTMLSA-N 1 1 274.383 2.592 20 30 CFEDMO Cc1cc(C#N)nc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000286736277 385698592 /nfs/dbraw/zinc/69/85/92/385698592.db2.gz FVTIBWGRLUZQCH-KGLIPLIRSA-N 1 1 299.422 2.722 20 30 CFEDMO C[N@@H+]1CC=C(CNc2c(C#N)cnc3ccccc32)CC1 ZINC000274032228 385703820 /nfs/dbraw/zinc/70/38/20/385703820.db2.gz XBXFCYCXXGBYJG-UHFFFAOYSA-N 1 1 278.359 2.780 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639790639 385710508 /nfs/dbraw/zinc/71/05/08/385710508.db2.gz JIOOLUXZASXIEW-CQSZACIVSA-N 1 1 253.349 2.995 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639799002 385715770 /nfs/dbraw/zinc/71/57/70/385715770.db2.gz UKPQSMVNMJYAKP-ZDUSSCGKSA-N 1 1 261.369 2.810 20 30 CFEDMO C=CC[C@H]1CCC[N@@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639799002 385715775 /nfs/dbraw/zinc/71/57/75/385715775.db2.gz UKPQSMVNMJYAKP-ZDUSSCGKSA-N 1 1 261.369 2.810 20 30 CFEDMO C#CC[N@H+](Cc1cc(=O)oc2cc(CC)ccc12)C1CC1 ZINC000274206854 385740190 /nfs/dbraw/zinc/74/01/90/385740190.db2.gz SLNXMYWQNRLLEP-UHFFFAOYSA-N 1 1 281.355 2.953 20 30 CFEDMO C#CC[N@H+](C[C@H](O)CO[C@H]1CCCc2ccccc21)C1CC1 ZINC000274211309 385740276 /nfs/dbraw/zinc/74/02/76/385740276.db2.gz TVKWTQIHYQBNJP-HKUYNNGSSA-N 1 1 299.414 2.539 20 30 CFEDMO C=C(C)CC[N@H+]1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000639875812 385743129 /nfs/dbraw/zinc/74/31/29/385743129.db2.gz BCMYRCPBMMSUGX-OAHLLOKOSA-N 1 1 266.429 2.528 20 30 CFEDMO C=C(C)CC[N@@H+]1CC2(CCCC2)OC[C@H]1CN(C)C ZINC000639875812 385743135 /nfs/dbraw/zinc/74/31/35/385743135.db2.gz BCMYRCPBMMSUGX-OAHLLOKOSA-N 1 1 266.429 2.528 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000286965708 385752104 /nfs/dbraw/zinc/75/21/04/385752104.db2.gz NPGZPATZGNHRAS-WCQYABFASA-N 1 1 278.421 2.822 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC(C)(C)[C@H]1c1cccs1 ZINC000286965708 385752111 /nfs/dbraw/zinc/75/21/11/385752111.db2.gz NPGZPATZGNHRAS-WCQYABFASA-N 1 1 278.421 2.822 20 30 CFEDMO C#CC[N@@H+](Cc1c[nH]nc1-c1ccccc1)C1CC1 ZINC000274112212 385721413 /nfs/dbraw/zinc/72/14/13/385721413.db2.gz LRHCIUSOGQXAIP-UHFFFAOYSA-N 1 1 251.333 2.674 20 30 CFEDMO C=C(CC)C[N@H+](CC)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639818742 385723588 /nfs/dbraw/zinc/72/35/88/385723588.db2.gz CVDPJCLOWHAZAB-GFCCVEGCSA-N 1 1 264.335 2.911 20 30 CFEDMO C=CC[N@H+](CC(=O)Nc1ccnn1CCC)C(C)(C)C ZINC000639827906 385727117 /nfs/dbraw/zinc/72/71/17/385727117.db2.gz KNECWURHPGVUCX-UHFFFAOYSA-N 1 1 278.400 2.518 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1Cc2cccc(Cl)c2C1 ZINC000287219350 385806264 /nfs/dbraw/zinc/80/62/64/385806264.db2.gz FINOUKLAZYVIAG-GFCCVEGCSA-N 1 1 251.757 2.983 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1Cc2cccc(Cl)c2C1 ZINC000287219350 385806269 /nfs/dbraw/zinc/80/62/69/385806269.db2.gz FINOUKLAZYVIAG-GFCCVEGCSA-N 1 1 251.757 2.983 20 30 CFEDMO C=CCC[C@@H](C)[NH2+]Cc1nnc(COc2ccccc2)[n-]1 ZINC000274630118 385837940 /nfs/dbraw/zinc/83/79/40/385837940.db2.gz OQQWAGLACPQMES-CYBMUJFWSA-N 1 1 286.379 2.828 20 30 CFEDMO C=CCCCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000274648990 385840892 /nfs/dbraw/zinc/84/08/92/385840892.db2.gz DUCVUQWPPYVYKW-OAHLLOKOSA-N 1 1 260.381 2.762 20 30 CFEDMO CC#CCCCC(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000274677653 385847691 /nfs/dbraw/zinc/84/76/91/385847691.db2.gz ZIBWUAXUNULTFZ-UHFFFAOYSA-N 1 1 273.380 2.502 20 30 CFEDMO C=CCCCCNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000274851472 385883791 /nfs/dbraw/zinc/88/37/91/385883791.db2.gz WYDINTUFIYEYGO-CYBMUJFWSA-N 1 1 279.384 2.538 20 30 CFEDMO C=C(C)[C@@H]([NH2+][C@H](C)C(=O)NC1CC1)c1ccc(F)c(F)c1 ZINC000274911999 385895715 /nfs/dbraw/zinc/89/57/15/385895715.db2.gz WSNSIRJEFLOCAX-MEBBXXQBSA-N 1 1 294.345 2.839 20 30 CFEDMO C=CCOCC[NH2+][C@@H](C)c1nc(-c2cccc(F)c2)no1 ZINC000274800889 385873436 /nfs/dbraw/zinc/87/34/36/385873436.db2.gz OYYFXZMARXMHFA-NSHDSACASA-N 1 1 291.326 2.729 20 30 CFEDMO C#CCC[NH+]1CCN(CCCCc2ccccc2)CC1 ZINC000274814409 385877263 /nfs/dbraw/zinc/87/72/63/385877263.db2.gz INDOKHBCVWTOCR-UHFFFAOYSA-N 1 1 270.420 2.650 20 30 CFEDMO COCC1=CC[N@H+]([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000187728876 533161667 /nfs/dbraw/zinc/16/16/67/533161667.db2.gz DDROIWAZBWXYDI-ZDUSSCGKSA-N 1 1 256.349 2.898 20 30 CFEDMO C=CCN1CC[C@H]([NH2+][C@H](C)c2ccccc2Cl)C1=O ZINC000281237651 195162829 /nfs/dbraw/zinc/16/28/29/195162829.db2.gz PLQLJFDTEWYMCN-RISCZKNCSA-N 1 1 278.783 2.778 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](C)Cc2ccccc2)C1=O ZINC000281263209 195172513 /nfs/dbraw/zinc/17/25/13/195172513.db2.gz NIDCYYIKYQBRAN-DOTOQJQBSA-N 1 1 286.419 2.584 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cc(C)ccc2C)C1=O ZINC000281363502 195211894 /nfs/dbraw/zinc/21/18/94/195211894.db2.gz UZHLCWREBDQRNX-INIZCTEOSA-N 1 1 272.392 2.522 20 30 CFEDMO C=CCN1CC[C@H]([N@H+]2CC[C@H](c3cccc(C)c3)C2)C1=O ZINC000281363141 195211975 /nfs/dbraw/zinc/21/19/75/195211975.db2.gz NZVSPSRXRPNLRJ-IRXDYDNUSA-N 1 1 284.403 2.571 20 30 CFEDMO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2Cl)C1=O ZINC000281382511 195219851 /nfs/dbraw/zinc/21/98/51/195219851.db2.gz YYEIJHRAQGVDRH-IINYFYTJSA-N 1 1 296.773 2.917 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC000281389457 195220529 /nfs/dbraw/zinc/22/05/29/195220529.db2.gz MVEBJUAZCCJTKV-CQSZACIVSA-N 1 1 262.328 2.698 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCCO1 ZINC000281389457 195220532 /nfs/dbraw/zinc/22/05/32/195220532.db2.gz MVEBJUAZCCJTKV-CQSZACIVSA-N 1 1 262.328 2.698 20 30 CFEDMO CSCCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000281501806 195266089 /nfs/dbraw/zinc/26/60/89/195266089.db2.gz UJVAKRHCTYFDLS-GFCCVEGCSA-N 1 1 291.420 2.570 20 30 CFEDMO C=CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000681727520 542483324 /nfs/dbraw/zinc/48/33/24/542483324.db2.gz VXPTUZLPZPRHJJ-ZWKOTPCHSA-N 1 1 298.430 2.947 20 30 CFEDMO N#CCSCCC[N@@H+]1CC[C@H](O)c2ccccc2C1 ZINC000373129216 262355557 /nfs/dbraw/zinc/35/55/57/262355557.db2.gz YDWKOIFWIXCIKE-HNNXBMFYSA-N 1 1 276.405 2.573 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC001278358291 781980942 /nfs/dbraw/zinc/98/09/42/781980942.db2.gz WJWOBYKNESSIAI-DOTOQJQBSA-N 1 1 296.455 2.716 20 30 CFEDMO C#Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](CC)CC(C)C)cc1 ZINC001154577037 781984294 /nfs/dbraw/zinc/98/42/94/781984294.db2.gz HDKAKUHNWSTRAY-OAHLLOKOSA-N 1 1 286.419 2.764 20 30 CFEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@H+](CC)Cc1cnc(C)o1 ZINC001154605354 781989491 /nfs/dbraw/zinc/98/94/91/781989491.db2.gz GNDCRZSDUQATSC-GFCCVEGCSA-N 1 1 293.411 2.522 20 30 CFEDMO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)Cc1cnc(C)o1 ZINC001154605354 781989499 /nfs/dbraw/zinc/98/94/99/781989499.db2.gz GNDCRZSDUQATSC-GFCCVEGCSA-N 1 1 293.411 2.522 20 30 CFEDMO C[N@@H+](CCCCC(C)(C)C#N)[C@@H]1CCN(C2CC2)C1 ZINC000336806339 262395835 /nfs/dbraw/zinc/39/58/35/262395835.db2.gz SYHVYFXJCAYKRP-OAHLLOKOSA-N 1 1 263.429 2.875 20 30 CFEDMO 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CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000289695400 394221217 /nfs/dbraw/zinc/22/12/17/394221217.db2.gz OLHWHLKJCNLEOX-HNNXBMFYSA-N 1 1 297.320 2.947 20 30 CFEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1F)[C@H]1CCOC1 ZINC000291303732 394238681 /nfs/dbraw/zinc/23/86/81/394238681.db2.gz QZCFYFYQUAXZFN-AWEZNQCLSA-N 1 1 262.328 2.697 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000366178481 394240461 /nfs/dbraw/zinc/24/04/61/394240461.db2.gz LOUNTAVRKGDADC-WMZOPIPTSA-N 1 1 297.402 2.615 20 30 CFEDMO Fc1ccc(C#CC[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000366948865 394249716 /nfs/dbraw/zinc/24/97/16/394249716.db2.gz ZQRRDUCBAFINRJ-QGZVFWFLSA-N 1 1 273.351 2.680 20 30 CFEDMO Cc1cncc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000367063864 394250688 /nfs/dbraw/zinc/25/06/88/394250688.db2.gz ABNYKXYUKBWTGH-UHFFFAOYSA-N 1 1 292.386 2.842 20 30 CFEDMO CC[C@@H]1CCCCC[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000150748034 394251182 /nfs/dbraw/zinc/25/11/82/394251182.db2.gz 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CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000451252047 394370936 /nfs/dbraw/zinc/37/09/36/394370936.db2.gz GWRHGRAGXPJJCD-IUODEOHRSA-N 1 1 278.783 2.804 20 30 CFEDMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000451252047 394370937 /nfs/dbraw/zinc/37/09/37/394370937.db2.gz GWRHGRAGXPJJCD-IUODEOHRSA-N 1 1 278.783 2.804 20 30 CFEDMO N#CCSCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451350375 394375889 /nfs/dbraw/zinc/37/58/89/394375889.db2.gz YNVALXPPMGEVHE-RBSFLKMASA-N 1 1 282.453 2.649 20 30 CFEDMO N#Cc1ccc(OCC[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000519712810 394376253 /nfs/dbraw/zinc/37/62/53/394376253.db2.gz PVECLSIVAZFDBL-QGZVFWFLSA-N 1 1 293.370 2.822 20 30 CFEDMO N#CCC[C@@H](C#N)C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000173982478 394377191 /nfs/dbraw/zinc/37/71/91/394377191.db2.gz GNMPIPCWHROHJW-ROUUACIJSA-N 1 1 297.402 2.969 20 30 CFEDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2cccc(F)c2C#N)C1 ZINC000452125616 394378989 /nfs/dbraw/zinc/37/89/89/394378989.db2.gz YACKHJPGNYJNBA-CQSZACIVSA-N 1 1 275.371 2.612 20 30 CFEDMO CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(F)cc2C#N)C1 ZINC000452122319 394379096 /nfs/dbraw/zinc/37/90/96/394379096.db2.gz TZNDZNTZCKIBQT-MRXNPFEDSA-N 1 1 275.371 2.612 20 30 CFEDMO N#CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000175163680 394380324 /nfs/dbraw/zinc/38/03/24/394380324.db2.gz YMPBZNCUQRVTEC-QGZVFWFLSA-N 1 1 299.418 2.965 20 30 CFEDMO C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc2cc(C#N)ccc2n1 ZINC000525958516 394383985 /nfs/dbraw/zinc/38/39/85/394383985.db2.gz YSKQCFPRSUOPSP-CHWSQXEVSA-N 1 1 280.375 2.635 20 30 CFEDMO C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)[C@@H]1C ZINC000177884732 394385241 /nfs/dbraw/zinc/38/52/41/394385241.db2.gz UBXVFHNYEZDSQX-HUUCEWRRSA-N 1 1 285.391 2.664 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528787052 394405961 /nfs/dbraw/zinc/40/59/61/394405961.db2.gz YYVPUKACLKABBR-UXFYUNLUSA-N 1 1 288.416 2.605 20 30 CFEDMO N#Cc1cccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000527810008 394411465 /nfs/dbraw/zinc/41/14/65/394411465.db2.gz SZNIJQBXUKJKBF-QGZVFWFLSA-N 1 1 269.392 2.665 20 30 CFEDMO N#Cc1cccc(CNC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527810008 394411467 /nfs/dbraw/zinc/41/14/67/394411467.db2.gz SZNIJQBXUKJKBF-QGZVFWFLSA-N 1 1 269.392 2.665 20 30 CFEDMO COC(=O)c1cccc(C[N@H+]2CC[C@H](C)[C@H](C)C2)c1C#N ZINC000535756067 394542712 /nfs/dbraw/zinc/54/27/12/394542712.db2.gz QPQFYPKBAUKQFW-QWHCGFSZSA-N 1 1 286.375 2.823 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000540686277 394651737 /nfs/dbraw/zinc/65/17/37/394651737.db2.gz BQLZGJRGPCIELG-LLVKDONJSA-N 1 1 278.318 2.970 20 30 CFEDMO CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cccc(C#N)c1 ZINC000548125740 394913092 /nfs/dbraw/zinc/91/30/92/394913092.db2.gz PCSUTLHFNOJOEX-MRXNPFEDSA-N 1 1 285.391 2.505 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000558602642 395065734 /nfs/dbraw/zinc/06/57/34/395065734.db2.gz XZRJPUQECQIYPM-GFCCVEGCSA-N 1 1 290.367 2.999 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N(CCC)[C@@H]1CC[N@@H+](C)C1 ZINC000648997502 395391051 /nfs/dbraw/zinc/39/10/51/395391051.db2.gz QYNIXPMNMHFLKU-UONOGXRCSA-N 1 1 252.402 2.531 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648891347 395353140 /nfs/dbraw/zinc/35/31/40/395353140.db2.gz JTRNWWRJGWEZKE-QWHCGFSZSA-N 1 1 263.385 2.868 20 30 CFEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000649222467 395454369 /nfs/dbraw/zinc/45/43/69/395454369.db2.gz LNXPSJGJDXQDOJ-QGZVFWFLSA-N 1 1 274.408 2.656 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)CCc1cncc(C)n1 ZINC000649578549 395529993 /nfs/dbraw/zinc/52/99/93/395529993.db2.gz VAAHYIFISXNQNU-UHFFFAOYSA-N 1 1 271.364 2.651 20 30 CFEDMO C=CCNC(=O)C[NH2+]C1(c2ccccc2Cl)CCC1 ZINC000649642736 395544395 /nfs/dbraw/zinc/54/43/95/395544395.db2.gz LIICHPARJSZXKD-UHFFFAOYSA-N 1 1 278.783 2.611 20 30 CFEDMO C=CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H]1CCC(=O)N1 ZINC000649474903 395504136 /nfs/dbraw/zinc/50/41/36/395504136.db2.gz ZUZFYOQKKBAKHU-JTQLQIEISA-N 1 1 284.812 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CCCC[N@H+]1CCCC[C@H]1CNCc1nc(C#N)cs1 ZINC000352840539 163249534 /nfs/dbraw/zinc/24/95/34/163249534.db2.gz NNXOLCTYTOWGRN-AWEZNQCLSA-N 1 1 292.452 2.759 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353021859 163287577 /nfs/dbraw/zinc/28/75/77/163287577.db2.gz KIZYJNPDEKYZCK-LBPRGKRZSA-N 1 1 296.317 2.628 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](COC(F)F)C2)c1 ZINC000353030733 163290528 /nfs/dbraw/zinc/29/05/28/163290528.db2.gz SWQCENRZCBDPJD-CYBMUJFWSA-N 1 1 266.291 2.619 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC[C@H](COC(F)F)C2)ccc1F ZINC000353024565 163291215 /nfs/dbraw/zinc/29/12/15/163291215.db2.gz HNLJPVVGAJPFOL-NSHDSACASA-N 1 1 284.281 2.758 20 30 CFEDMO CCC[N@@H+]1CCC[C@H]1CNCc1cc(C#N)cs1 ZINC000353123879 163310965 /nfs/dbraw/zinc/31/09/65/163310965.db2.gz IXSQKCSANSMFQB-ZDUSSCGKSA-N 1 1 263.410 2.584 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1CNCc1cc(C#N)cs1 ZINC000353123879 163310967 /nfs/dbraw/zinc/31/09/67/163310967.db2.gz IXSQKCSANSMFQB-ZDUSSCGKSA-N 1 1 263.410 2.584 20 30 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CC[N@@H+](CC(=O)N[C@@H](C#N)c1ccc(Cl)cc1)C1CC1 ZINC000152307769 261062856 /nfs/dbraw/zinc/06/28/56/261062856.db2.gz SASQZVGGOUCQPY-AWEZNQCLSA-N 1 1 291.782 2.505 20 30 CFEDMO CC(C)[N@@H+](CCCSCC#N)C1CCOCC1 ZINC000174172701 261181023 /nfs/dbraw/zinc/18/10/23/261181023.db2.gz WOVUTIWXUGUVPQ-UHFFFAOYSA-N 1 1 256.415 2.523 20 30 CFEDMO C[C@@H]1C[C@H]([N@@H+](C)CCCC(C)(C)C#N)CCN1C ZINC000174873580 261201212 /nfs/dbraw/zinc/20/12/12/261201212.db2.gz HKIQLHCLTFTUJU-ZIAGYGMSSA-N 1 1 251.418 2.731 20 30 CFEDMO C#CC[N@@H+](CC)Cc1ccc(C#N)cc1OC(F)F ZINC000490763499 261204551 /nfs/dbraw/zinc/20/45/51/261204551.db2.gz SMQMRLMXLJVIAZ-UHFFFAOYSA-N 1 1 264.275 2.615 20 30 CFEDMO C#CC[N@H+](CC)Cc1ccc(C#N)cc1OC(F)F ZINC000490763499 261204554 /nfs/dbraw/zinc/20/45/54/261204554.db2.gz SMQMRLMXLJVIAZ-UHFFFAOYSA-N 1 1 264.275 2.615 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248913194 261216951 /nfs/dbraw/zinc/21/69/51/261216951.db2.gz JIWJRIDTQLXKNP-SQWLQELKSA-N 1 1 264.413 2.531 20 30 CFEDMO CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)N[C@](C)(C#N)C(C)C ZINC000249416831 261252625 /nfs/dbraw/zinc/25/26/25/261252625.db2.gz WJNWLLZWOXUWMZ-BFYDXBDKSA-N 1 1 293.455 2.941 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]Cc1ccc(C)o1 ZINC000053036142 261271656 /nfs/dbraw/zinc/27/16/56/261271656.db2.gz ZTUBHMXZLYFWEY-UHFFFAOYSA-N 1 1 255.317 2.890 20 30 CFEDMO CCN(C[C@@H](C)C#N)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000104040022 261289741 /nfs/dbraw/zinc/28/97/41/261289741.db2.gz MAFKOMPTCOYORG-GOEBONIOSA-N 1 1 287.407 2.688 20 30 CFEDMO C#C[C@@H](NC(=O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1F ZINC000491182264 261363238 /nfs/dbraw/zinc/36/32/38/261363238.db2.gz ZJBVAMGKGDXKAE-CQSZACIVSA-N 1 1 296.773 2.610 20 30 CFEDMO C#CC[N@H+](CC/C=C\c1cncc(OC)c1)C1CC1 ZINC000491734646 261960774 /nfs/dbraw/zinc/96/07/74/261960774.db2.gz LQHWZGCWVKFXMT-XQRVVYSFSA-N 1 1 256.349 2.591 20 30 CFEDMO C#CCCC[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309713595 262005459 /nfs/dbraw/zinc/00/54/59/262005459.db2.gz KZCVPOOMZGGWBF-AEFFLSMTSA-N 1 1 270.420 2.900 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000367437331 262028188 /nfs/dbraw/zinc/02/81/88/262028188.db2.gz INIBGGRUQZYMGP-SFHVURJKSA-N 1 1 285.387 2.701 20 30 CFEDMO C=C(C)C[NH+]1CCC(O)(c2c(F)cccc2F)CC1 ZINC000186502616 262095546 /nfs/dbraw/zinc/09/55/46/262095546.db2.gz OZDFAYXEVZJDOB-UHFFFAOYSA-N 1 1 267.319 2.824 20 30 CFEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC1(C#N)CC1 ZINC000497248625 262124130 /nfs/dbraw/zinc/12/41/30/262124130.db2.gz YHPOEVVNFCWFAE-CHWSQXEVSA-N 1 1 293.411 2.668 20 30 CFEDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC1(C#N)CC1 ZINC000497248625 262124132 /nfs/dbraw/zinc/12/41/32/262124132.db2.gz YHPOEVVNFCWFAE-CHWSQXEVSA-N 1 1 293.411 2.668 20 30 CFEDMO C#CCCC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000497274535 262132754 /nfs/dbraw/zinc/13/27/54/262132754.db2.gz INNAREWKBITBRM-GJZGRUSLSA-N 1 1 292.423 2.589 20 30 CFEDMO NC(CCCc1ccccc1)=[NH+]OCCOCC(F)F ZINC000189264428 262169787 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C[C@H](CCC#N)[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000496644765 262349776 /nfs/dbraw/zinc/34/97/76/262349776.db2.gz AMGFYBVNUYUGFX-CHWSQXEVSA-N 1 1 281.400 2.668 20 30 CFEDMO COC[C@@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000365266585 262356565 /nfs/dbraw/zinc/35/65/65/262356565.db2.gz XAYIECOZURYUII-QGZVFWFLSA-N 1 1 257.377 2.787 20 30 CFEDMO C[N@H+](CC1(C#N)CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496962250 262360494 /nfs/dbraw/zinc/36/04/94/262360494.db2.gz LTZGUGWATRDOMM-ZDUSSCGKSA-N 1 1 293.411 2.621 20 30 CFEDMO C[N@@H+](CC1(C#N)CCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496962250 262360495 /nfs/dbraw/zinc/36/04/95/262360495.db2.gz LTZGUGWATRDOMM-ZDUSSCGKSA-N 1 1 293.411 2.621 20 30 CFEDMO C#CCCOc1ccc(C[N@H+]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000373488395 262370076 /nfs/dbraw/zinc/37/00/76/262370076.db2.gz ZLLSMYQWYOMXME-QZTJIDSGSA-N 1 1 285.387 2.842 20 30 CFEDMO CC(C)[C@@H]1CN(C)CC[N@H+]1CCCC(C)(C)C#N ZINC000336733063 262386264 /nfs/dbraw/zinc/38/62/64/262386264.db2.gz SUVYQKBNGVSICP-AWEZNQCLSA-N 1 1 251.418 2.588 20 30 CFEDMO C[C@H](O)[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000336784795 262394506 /nfs/dbraw/zinc/39/45/06/262394506.db2.gz XOTXBMDYMSISEG-KBPBESRZSA-N 1 1 252.402 2.942 20 30 CFEDMO C[C@H]1CCC[C@@H](CO)[N@H+]1CCCCC(C)(C)C#N ZINC000336784476 262394579 /nfs/dbraw/zinc/39/45/79/262394579.db2.gz QHRCPXJDZKICJT-KBPBESRZSA-N 1 1 252.402 2.942 20 30 CFEDMO C=CC1CC[NH+](Cc2nc(CC(F)(F)F)no2)CC1 ZINC000336798776 262397180 /nfs/dbraw/zinc/39/71/80/262397180.db2.gz GIAHVNHOKLGFFT-UHFFFAOYSA-N 1 1 275.274 2.572 20 30 CFEDMO C=CCCC[N@H+](C)CCCS(=O)(=O)c1ccc(F)cc1 ZINC000336826977 262397930 /nfs/dbraw/zinc/39/79/30/262397930.db2.gz ZEIKKLBJZGZODB-UHFFFAOYSA-N 1 1 299.411 2.888 20 30 CFEDMO CO[C@@H](C)c1noc(C[N@H+](C)CCCCC(C)(C)C#N)n1 ZINC000336845511 262399015 /nfs/dbraw/zinc/39/90/15/262399015.db2.gz WRXFRINLCVVZMR-LBPRGKRZSA-N 1 1 294.399 2.929 20 30 CFEDMO CO[C@@H](C)c1noc(C[N@@H+](C)CCCCC(C)(C)C#N)n1 ZINC000336845511 262399016 /nfs/dbraw/zinc/39/90/16/262399016.db2.gz WRXFRINLCVVZMR-LBPRGKRZSA-N 1 1 294.399 2.929 20 30 CFEDMO C[C@@H]1C[C@H](C)[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337191098 262430612 /nfs/dbraw/zinc/43/06/12/262430612.db2.gz SGSNMBNMTPIFGE-KGLIPLIRSA-N 1 1 250.386 2.817 20 30 CFEDMO C#Cc1cccc(N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000365793073 262471813 /nfs/dbraw/zinc/47/18/13/262471813.db2.gz DHSXBMYTELEXCH-KFKAGJAMSA-N 1 1 298.430 2.969 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](CCCOCC(F)(F)F)C1CC1 ZINC000338376940 262529846 /nfs/dbraw/zinc/52/98/46/262529846.db2.gz MJHWYNOBMNSNQQ-JTQLQIEISA-N 1 1 264.291 2.579 20 30 CFEDMO C[N@@H+](CCOCCC#N)C1CCC(C(F)(F)F)CC1 ZINC000339206257 262617123 /nfs/dbraw/zinc/61/71/23/262617123.db2.gz RHWNMWQUKKQLQO-UHFFFAOYSA-N 1 1 278.318 2.970 20 30 CFEDMO C[N@@H+](CCC(C)(C)C#N)[C@H](CCO)c1ccccc1 ZINC000271984991 263000957 /nfs/dbraw/zinc/00/09/57/263000957.db2.gz CKCQUZQUVYNGQP-OAHLLOKOSA-N 1 1 260.381 2.982 20 30 CFEDMO C[N@H+](Cc1ccc(OCC#N)cc1)C[C@@H]1CCCC[C@@H]1O ZINC000272498262 263005483 /nfs/dbraw/zinc/00/54/83/263005483.db2.gz INSKFPBMQMFIPW-RDJZCZTQSA-N 1 1 288.391 2.572 20 30 CFEDMO COC(=O)c1ccccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000272501232 263005566 /nfs/dbraw/zinc/00/55/66/263005566.db2.gz GWMWYSFRSQFWBS-UHFFFAOYSA-N 1 1 272.348 2.599 20 30 CFEDMO CC1(C#N)CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000272555944 263006642 /nfs/dbraw/zinc/00/66/42/263006642.db2.gz SHBRRYYIVSSNMZ-UHFFFAOYSA-N 1 1 286.375 2.974 20 30 CFEDMO Cc1ccc(N2CC[C@@H]([NH+]3CCC(C)(C#N)CC3)C2=O)cc1 ZINC000272577547 263007089 /nfs/dbraw/zinc/00/70/89/263007089.db2.gz NWLKPENOIGZEEB-MRXNPFEDSA-N 1 1 297.402 2.726 20 30 CFEDMO COc1ccc(F)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000272611951 263007746 /nfs/dbraw/zinc/00/77/46/263007746.db2.gz SKCMBCCRHWPMIU-UHFFFAOYSA-N 1 1 262.328 2.960 20 30 CFEDMO COc1cccc2c1CC[N@@H+](CCC(C)(C)C#N)C2 ZINC000273048020 263011468 /nfs/dbraw/zinc/01/14/68/263011468.db2.gz XZEYNORBTWZFST-UHFFFAOYSA-N 1 1 258.365 2.993 20 30 CFEDMO Cc1c([C@@H](C)[NH2+]CCCC#N)nnn1-c1ccc(C)cc1 ZINC000273316137 263015194 /nfs/dbraw/zinc/01/51/94/263015194.db2.gz YFTUUIXRMFTKKA-CYBMUJFWSA-N 1 1 283.379 2.839 20 30 CFEDMO CC[C@@]1(C)C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000276076546 263034802 /nfs/dbraw/zinc/03/48/02/263034802.db2.gz RTHXOHXVMQXFKN-INIZCTEOSA-N 1 1 274.364 2.590 20 30 CFEDMO CC[C@@]1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000276076546 263034803 /nfs/dbraw/zinc/03/48/03/263034803.db2.gz RTHXOHXVMQXFKN-INIZCTEOSA-N 1 1 274.364 2.590 20 30 CFEDMO CC[N@H+](CC(=O)Nc1c(F)cccc1F)[C@H](C)CCC#N ZINC000276266090 263035352 /nfs/dbraw/zinc/03/53/52/263035352.db2.gz BXNQHZYLQCREGT-LLVKDONJSA-N 1 1 295.333 2.917 20 30 CFEDMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)[C@H](C)CCC#N ZINC000276266090 263035353 /nfs/dbraw/zinc/03/53/53/263035353.db2.gz BXNQHZYLQCREGT-LLVKDONJSA-N 1 1 295.333 2.917 20 30 CFEDMO CC[N@H+](CC(=O)Nc1ccccc1OC)[C@H](C)CCC#N ZINC000276297662 263035831 /nfs/dbraw/zinc/03/58/31/263035831.db2.gz JGKZSQHXGFWULX-CYBMUJFWSA-N 1 1 289.379 2.648 20 30 CFEDMO CC[N@@H+](CC(=O)Nc1ccccc1OC)[C@H](C)CCC#N ZINC000276297662 263035832 /nfs/dbraw/zinc/03/58/32/263035832.db2.gz JGKZSQHXGFWULX-CYBMUJFWSA-N 1 1 289.379 2.648 20 30 CFEDMO CC[N@@H+](C[C@H]1COc2ccccc2O1)[C@@H](C)CCC#N ZINC000276340079 263036445 /nfs/dbraw/zinc/03/64/45/263036445.db2.gz TUCHYXQIVUKPOM-KBPBESRZSA-N 1 1 274.364 2.841 20 30 CFEDMO C[C@@H](CCC#N)[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000276340115 263036474 /nfs/dbraw/zinc/03/64/74/263036474.db2.gz TVNRECVDKLUUDN-LBPRGKRZSA-N 1 1 279.334 2.779 20 30 CFEDMO C[N@@H+](CCCNC(=O)CC(C)(C)C#N)Cc1ccccc1 ZINC000278488421 263048440 /nfs/dbraw/zinc/04/84/40/263048440.db2.gz LCJJLRMCSSBHLY-UHFFFAOYSA-N 1 1 287.407 2.565 20 30 CFEDMO C[N@H+](CC(=O)Nc1cccc(Cl)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278521858 263048636 /nfs/dbraw/zinc/04/86/36/263048636.db2.gz CQUDKKRRBFZWDV-BXUZGUMPSA-N 1 1 291.782 2.903 20 30 CFEDMO C[N@@H+](CC(=O)Nc1cccc(Cl)c1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278521858 263048637 /nfs/dbraw/zinc/04/86/37/263048637.db2.gz CQUDKKRRBFZWDV-BXUZGUMPSA-N 1 1 291.782 2.903 20 30 CFEDMO Cc1ccccc1OCC[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000278672361 263049757 /nfs/dbraw/zinc/04/97/57/263049757.db2.gz RBPWDSDRQVGPCS-LSDHHAIUSA-N 1 1 258.365 2.998 20 30 CFEDMO N#C[C@H](c1ccccc1)N1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000278714214 263049983 /nfs/dbraw/zinc/04/99/83/263049983.db2.gz UOWRSDZDXSOVAF-BPQIPLTHSA-N 1 1 294.402 2.561 20 30 CFEDMO C=CCOc1ccc(C[NH2+][C@@H](CN)CC(C)C)cc1OC ZINC000414835135 263056985 /nfs/dbraw/zinc/05/69/85/263056985.db2.gz HCUFDNUHLGULQY-OAHLLOKOSA-N 1 1 292.423 2.723 20 30 CFEDMO COc1ccc(C(N)=[NH+]OCCCC2CCOCC2)cc1 ZINC000279967508 263058403 /nfs/dbraw/zinc/05/84/03/263058403.db2.gz YQMMVKGARFZAMX-UHFFFAOYSA-N 1 1 292.379 2.539 20 30 CFEDMO C[C@@H](c1cccs1)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000280196965 263059620 /nfs/dbraw/zinc/05/96/20/263059620.db2.gz DNCYTTITEUKWHE-XHDPSFHLSA-N 1 1 291.420 2.549 20 30 CFEDMO C[C@@H](c1cccs1)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000280196965 263059621 /nfs/dbraw/zinc/05/96/21/263059621.db2.gz DNCYTTITEUKWHE-XHDPSFHLSA-N 1 1 291.420 2.549 20 30 CFEDMO C[C@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)[N@@H+](C)C1CC1 ZINC000280385383 263061012 /nfs/dbraw/zinc/06/10/12/263061012.db2.gz WKRMROZDYSUUQB-CYBMUJFWSA-N 1 1 299.418 2.700 20 30 CFEDMO Cc1cc(C[N@H+](C)CCCC2(C#N)CCOCC2)no1 ZINC000281936243 263073061 /nfs/dbraw/zinc/07/30/61/263073061.db2.gz ILCSZNRMEZAYRO-UHFFFAOYSA-N 1 1 277.368 2.515 20 30 CFEDMO Cc1cc(C[N@@H+](C)CCCC2(C#N)CCOCC2)no1 ZINC000281936243 263073062 /nfs/dbraw/zinc/07/30/62/263073062.db2.gz ILCSZNRMEZAYRO-UHFFFAOYSA-N 1 1 277.368 2.515 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000282856834 263079116 /nfs/dbraw/zinc/07/91/16/263079116.db2.gz UEEHFKBKYCGZLJ-LBPRGKRZSA-N 1 1 274.393 2.930 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000340206462 263093217 /nfs/dbraw/zinc/09/32/17/263093217.db2.gz YMJUNNPUMBUPGY-UONOGXRCSA-N 1 1 283.412 2.510 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1C(=O)OC(C)(C)C ZINC000340206462 263093218 /nfs/dbraw/zinc/09/32/18/263093218.db2.gz YMJUNNPUMBUPGY-UONOGXRCSA-N 1 1 283.412 2.510 20 30 CFEDMO C=CCOc1ccc(CN2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000353500975 263101857 /nfs/dbraw/zinc/10/18/57/263101857.db2.gz HBGIMCGWEKPTAL-INIZCTEOSA-N 1 1 272.392 2.531 20 30 CFEDMO N#CCCCC[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288998621 263106834 /nfs/dbraw/zinc/10/68/34/263106834.db2.gz MEBJWUZJDFPHGW-UHFFFAOYSA-N 1 1 258.321 2.554 20 30 CFEDMO CO[C@@H](C)C[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000289199560 263108145 /nfs/dbraw/zinc/10/81/45/263108145.db2.gz BIEQDQOHQJVCJO-AWEZNQCLSA-N 1 1 275.396 2.503 20 30 CFEDMO CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCCC#N ZINC000292093658 263128238 /nfs/dbraw/zinc/12/82/38/263128238.db2.gz KLNGMWSDJNNKMK-KRWDZBQOSA-N 1 1 299.418 2.661 20 30 CFEDMO CC(C)(CNC(=O)CCCC#N)[N@H+]1CCc2ccccc2C1 ZINC000292342230 263131407 /nfs/dbraw/zinc/13/14/07/263131407.db2.gz BKNCKMKTBSKZNW-UHFFFAOYSA-N 1 1 299.418 2.633 20 30 CFEDMO Cc1ccccc1[C@@H]1C[N@H+](CCOCCC#N)[C@H](C)CO1 ZINC000292841310 263135512 /nfs/dbraw/zinc/13/55/12/263135512.db2.gz PREOSAFFPFWUFE-WBVHZDCISA-N 1 1 288.391 2.687 20 30 CFEDMO Cc1ccccc1[C@@H]1C[N@@H+](CCOCCC#N)[C@H](C)CO1 ZINC000292841310 263135513 /nfs/dbraw/zinc/13/55/13/263135513.db2.gz PREOSAFFPFWUFE-WBVHZDCISA-N 1 1 288.391 2.687 20 30 CFEDMO Cc1ccccc1[C@H]1C[N@H+](CCOCCC#N)[C@@H](C)CO1 ZINC000292841293 263135548 /nfs/dbraw/zinc/13/55/48/263135548.db2.gz PREOSAFFPFWUFE-DOTOQJQBSA-N 1 1 288.391 2.687 20 30 CFEDMO Cc1ccccc1[C@H]1C[N@@H+](CCOCCC#N)[C@@H](C)CO1 ZINC000292841293 263135549 /nfs/dbraw/zinc/13/55/49/263135549.db2.gz PREOSAFFPFWUFE-DOTOQJQBSA-N 1 1 288.391 2.687 20 30 CFEDMO N#CCCOCC[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000293241011 263138872 /nfs/dbraw/zinc/13/88/72/263138872.db2.gz WMPJBVMVFIDPMH-UHFFFAOYSA-N 1 1 276.355 2.763 20 30 CFEDMO CC1(C)C[N@@H+](CCOCCC#N)Cc2ccccc2O1 ZINC000293498137 263141843 /nfs/dbraw/zinc/14/18/43/263141843.db2.gz HAKZQEVVEMRTCD-UHFFFAOYSA-N 1 1 274.364 2.590 20 30 CFEDMO Cc1nc2sccn2c1C[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000293904147 263152176 /nfs/dbraw/zinc/15/21/76/263152176.db2.gz WGZRDERBMDGURF-NWDGAFQWSA-N 1 1 274.393 2.828 20 30 CFEDMO Cc1cccc([C@H]2CC[N@@H+](CCOCCC#N)C2)c1 ZINC000294724365 263166772 /nfs/dbraw/zinc/16/67/72/263166772.db2.gz VULSKJMMRVFWQU-INIZCTEOSA-N 1 1 258.365 2.715 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)[C@H](C)c1ccccc1 ZINC000298797154 263225984 /nfs/dbraw/zinc/22/59/84/263225984.db2.gz HFLIXQNIMPBISX-RHSMWYFYSA-N 1 1 287.407 2.734 20 30 CFEDMO Cc1ccccc1[C@H](C)[N@@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000298846624 263227192 /nfs/dbraw/zinc/22/71/92/263227192.db2.gz KGYPFHBSZQTHNR-KBXCAEBGSA-N 1 1 299.418 2.796 20 30 CFEDMO Cc1ccccc1[C@@H](C)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000298846629 263227225 /nfs/dbraw/zinc/22/72/25/263227225.db2.gz KGYPFHBSZQTHNR-KDOFPFPSSA-N 1 1 299.418 2.796 20 30 CFEDMO Cc1cccc(C[N@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)c1C ZINC000299232425 263235695 /nfs/dbraw/zinc/23/56/95/263235695.db2.gz GBWPNRHOARNQJO-GOSISDBHSA-N 1 1 299.418 2.544 20 30 CFEDMO Cc1cccc(C[N@@H+](C)CC(=O)N[C@](C)(C#N)C2CC2)c1C ZINC000299232425 263235697 /nfs/dbraw/zinc/23/56/97/263235697.db2.gz GBWPNRHOARNQJO-GOSISDBHSA-N 1 1 299.418 2.544 20 30 CFEDMO N#CCCC[NH2+][C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000299223350 263235780 /nfs/dbraw/zinc/23/57/80/263235780.db2.gz MBMIHIXPMYNJKG-MRXNPFEDSA-N 1 1 285.391 2.634 20 30 CFEDMO CN(CC(C)(C)C#N)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000353214162 263274548 /nfs/dbraw/zinc/27/45/48/263274548.db2.gz QYMBNDDQUVFXCY-INIZCTEOSA-N 1 1 299.418 2.659 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@H]1c1ccc(OC)c(OC)c1 ZINC000120099731 263280647 /nfs/dbraw/zinc/28/06/47/263280647.db2.gz XZLMPSIQMJGVGP-AWEZNQCLSA-N 1 1 259.349 2.864 20 30 CFEDMO C=CC[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000121209907 263291591 /nfs/dbraw/zinc/29/15/91/263291591.db2.gz 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CFEDMO C[C@H]1C[C@@H]1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000519667917 267899431 /nfs/dbraw/zinc/89/94/31/267899431.db2.gz FZCJBJARLHAVAJ-XJKSGUPXSA-N 1 1 258.365 2.663 20 30 CFEDMO CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCCCC#N ZINC000375783760 267902401 /nfs/dbraw/zinc/90/24/01/267902401.db2.gz ACXOXBWIMDYZOG-GJZGRUSLSA-N 1 1 277.412 2.546 20 30 CFEDMO C=C(C)C[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000305802154 268001104 /nfs/dbraw/zinc/00/11/04/268001104.db2.gz IFSXIWWRMREDBX-CYBMUJFWSA-N 1 1 269.772 2.588 20 30 CFEDMO N#CCSCCC[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC000376615503 268001172 /nfs/dbraw/zinc/00/11/72/268001172.db2.gz QDFLTWXOGHJMGW-OAHLLOKOSA-N 1 1 294.395 2.926 20 30 CFEDMO CC[C@@H](CC#N)NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000376927551 268030830 /nfs/dbraw/zinc/03/08/30/268030830.db2.gz QLFBEHQDAVYJIR-LBPRGKRZSA-N 1 1 292.452 2.691 20 30 CFEDMO C=C(CNC(=O)N1CCC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000377068227 268044475 /nfs/dbraw/zinc/04/44/75/268044475.db2.gz QVRCYKQNSDFJNM-KRWDZBQOSA-N 1 1 299.418 2.580 20 30 CFEDMO C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000377242872 268059149 /nfs/dbraw/zinc/05/91/49/268059149.db2.gz UBAUUCKLLCTCSQ-CLLJXQQHSA-N 1 1 266.385 2.693 20 30 CFEDMO N#Cc1c(NC[C@H]2CC[N@H+]2C2CCCC2)nc2ccccn12 ZINC000528209164 268167697 /nfs/dbraw/zinc/16/76/97/268167697.db2.gz LYPGUZUKEGHYFG-CQSZACIVSA-N 1 1 295.390 2.635 20 30 CFEDMO N#Cc1cc2c(nc1NC[C@H]1CC[N@H+]1C1CCCC1)CCC2 ZINC000528210617 268194691 /nfs/dbraw/zinc/19/46/91/268194691.db2.gz PZHCABQUBGCGLM-MRXNPFEDSA-N 1 1 296.418 2.871 20 30 CFEDMO CCC[N@H+](CC(=O)Nc1cccc(C#N)c1)CC1CC1 ZINC000042312582 270227893 /nfs/dbraw/zinc/22/78/93/270227893.db2.gz OQIXWEUZRUWZDV-UHFFFAOYSA-N 1 1 271.364 2.619 20 30 CFEDMO C[C@@H]1C[C@@H](Nc2nc3c(cc2C#N)CCCC3)C[N@H+]1C1CC1 ZINC000329705759 274395042 /nfs/dbraw/zinc/39/50/42/274395042.db2.gz JOBKQQVJDOTVFA-IUODEOHRSA-N 1 1 296.418 2.869 20 30 CFEDMO O[C@@]1(C2CC2)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000366910704 275056094 /nfs/dbraw/zinc/05/60/94/275056094.db2.gz COZXKKRLTOZOSI-INIZCTEOSA-N 1 1 275.779 2.538 20 30 CFEDMO C#CC[N@H+](C[C@H](O)c1ccc(Br)cc1)C1CC1 ZINC000274188640 275381206 /nfs/dbraw/zinc/38/12/06/275381206.db2.gz PTHOAIILJVYNTB-AWEZNQCLSA-N 1 1 294.192 2.580 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000335788254 275388751 /nfs/dbraw/zinc/38/87/51/275388751.db2.gz WTLORLGBXRSBPG-GOSISDBHSA-N 1 1 269.388 2.931 20 30 CFEDMO CC(C)[C@H]1C[N@@H+](C)CCN1Cc1ccc(C#N)cc1Cl ZINC000425483640 276032430 /nfs/dbraw/zinc/03/24/30/276032430.db2.gz RSYHMYQMAVALJM-MRXNPFEDSA-N 1 1 291.826 2.984 20 30 CFEDMO CC[N@@H+](CC(=O)N[C@H]1CCCc2cc(C#N)ccc21)C1CC1 ZINC000416099842 276084947 /nfs/dbraw/zinc/08/49/47/276084947.db2.gz LUUXLDKOKDFYMJ-KRWDZBQOSA-N 1 1 297.402 2.536 20 30 CFEDMO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](C)C#N ZINC000042324096 276134391 /nfs/dbraw/zinc/13/43/91/276134391.db2.gz JTHNRPNVSPSWJN-LBPRGKRZSA-N 1 1 261.325 2.619 20 30 CFEDMO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](C)C#N ZINC000042324096 276134392 /nfs/dbraw/zinc/13/43/92/276134392.db2.gz JTHNRPNVSPSWJN-LBPRGKRZSA-N 1 1 261.325 2.619 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(C)cc(C)n1 ZINC000329209408 276261329 /nfs/dbraw/zinc/26/13/29/276261329.db2.gz ZBLXAAUOMAKFSX-AWEZNQCLSA-N 1 1 290.411 2.899 20 30 CFEDMO CC[NH+](CC)[C@H](C)CN[C@H](C)c1ccc(C#N)cc1 ZINC000279945310 276339773 /nfs/dbraw/zinc/33/97/73/276339773.db2.gz BLCYXDDHBIMQPC-ZIAGYGMSSA-N 1 1 259.397 2.939 20 30 CFEDMO COC(=O)[C@H]1C[N@H+]([C@H](C)c2ccc(C#N)cc2)CC12CCC2 ZINC000373153672 277135418 /nfs/dbraw/zinc/13/54/18/277135418.db2.gz UCXHWSIRGVEACR-CZUORRHYSA-N 1 1 298.386 2.894 20 30 CFEDMO C[N@H+]1CC[C@@H](Nc2ccnc(C#N)c2)[C@H]1c1ccccc1 ZINC000286583253 277138834 /nfs/dbraw/zinc/13/88/34/277138834.db2.gz STFMLWWCFSKEKJ-IAGOWNOFSA-N 1 1 278.359 2.811 20 30 CFEDMO C[N@H+]1CC[C@@H]2CCN(c3ccc4cc(C#N)ccc4n3)C[C@H]21 ZINC000364312280 277147109 /nfs/dbraw/zinc/14/71/09/277147109.db2.gz WUOQKDRUEYMXSJ-RHSMWYFYSA-N 1 1 292.386 2.637 20 30 CFEDMO C[N@@H+]1C[C@H]2CN(c3cc(C#N)ccc3C(F)(F)F)C[C@H]2C1 ZINC000278758634 277198702 /nfs/dbraw/zinc/19/87/02/277198702.db2.gz NKVHSPOJBWKPGW-TXEJJXNPSA-N 1 1 295.308 2.575 20 30 CFEDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000364019090 278027335 /nfs/dbraw/zinc/02/73/35/278027335.db2.gz HHFBFVDEDCNERT-ROUUACIJSA-N 1 1 297.402 2.534 20 30 CFEDMO CS[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)C[C@@H]1N(C)C ZINC000276033046 278155794 /nfs/dbraw/zinc/15/57/94/278155794.db2.gz MHDYXWAYGSAOTF-VBNZEHGJSA-N 1 1 289.448 2.597 20 30 CFEDMO CS[C@@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)C[C@@H]1N(C)C ZINC000276033046 278155796 /nfs/dbraw/zinc/15/57/96/278155796.db2.gz MHDYXWAYGSAOTF-VBNZEHGJSA-N 1 1 289.448 2.597 20 30 CFEDMO C[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423343082 278262698 /nfs/dbraw/zinc/26/26/98/278262698.db2.gz NMKIZNVAKPYBOM-BBRMVZONSA-N 1 1 257.381 2.599 20 30 CFEDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000123773936 278297328 /nfs/dbraw/zinc/29/73/28/278297328.db2.gz KGISLRGWLKTXJR-BBRMVZONSA-N 1 1 258.365 2.684 20 30 CFEDMO C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1ccc(C#N)cc1Cl ZINC000439440741 279083284 /nfs/dbraw/zinc/08/32/84/279083284.db2.gz OUSTTYGDXJZIQQ-VXGBXAGGSA-N 1 1 277.799 2.736 20 30 CFEDMO C[C@@]1(CCCO)CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000272003501 279157809 /nfs/dbraw/zinc/15/78/09/279157809.db2.gz IDRMQHIXGJKDPQ-KRWDZBQOSA-N 1 1 275.367 2.804 20 30 CFEDMO C[C@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423343088 279488645 /nfs/dbraw/zinc/48/86/45/279488645.db2.gz NMKIZNVAKPYBOM-XJKSGUPXSA-N 1 1 257.381 2.599 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1cccc([N+](=O)[O-])c1 ZINC000135152846 280767917 /nfs/dbraw/zinc/76/79/17/280767917.db2.gz CMWYYGYFASMSRZ-JTQLQIEISA-N 1 1 271.276 2.910 20 30 CFEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)/C=C\c1cccc(C#N)c1 ZINC000255048981 281085368 /nfs/dbraw/zinc/08/53/68/281085368.db2.gz KLKPYNTXRXVWCW-IBSYWUHOSA-N 1 1 297.402 2.562 20 30 CFEDMO N#Cc1cnn2cc(C[NH2+]Cc3ccccc3Cl)cnc12 ZINC000559841126 282010869 /nfs/dbraw/zinc/01/08/69/282010869.db2.gz IOHBGNOMOMXVGI-UHFFFAOYSA-N 1 1 297.749 2.544 20 30 CFEDMO N#Cc1ccc(C[NH+]2CCN(c3ccccc3)CC2)s1 ZINC000157531131 289957395 /nfs/dbraw/zinc/95/73/95/289957395.db2.gz LCTCYKKNIASTKE-UHFFFAOYSA-N 1 1 283.400 2.942 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CCn2ccnc21)c1ccc(C#N)cc1 ZINC000294114737 290026936 /nfs/dbraw/zinc/02/69/36/290026936.db2.gz NPFOIPWFGXYDER-SMDDNHRTSA-N 1 1 252.321 2.550 20 30 CFEDMO C[C@@H](SC[C@H]1C[N@H+](C)CCO1)c1cccc(C#N)c1 ZINC000563119499 290105683 /nfs/dbraw/zinc/10/56/83/290105683.db2.gz YNRDFQNWZMYVOB-IUODEOHRSA-N 1 1 276.405 2.683 20 30 CFEDMO C[C@@H](SC[C@H]1C[N@@H+](C)CCO1)c1cccc(C#N)c1 ZINC000563119499 290105685 /nfs/dbraw/zinc/10/56/85/290105685.db2.gz YNRDFQNWZMYVOB-IUODEOHRSA-N 1 1 276.405 2.683 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)nc1 ZINC000563351047 290135472 /nfs/dbraw/zinc/13/54/72/290135472.db2.gz VADRKCSBUGCMSI-INIZCTEOSA-N 1 1 264.332 2.685 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)nc1 ZINC000563351047 290135474 /nfs/dbraw/zinc/13/54/74/290135474.db2.gz VADRKCSBUGCMSI-INIZCTEOSA-N 1 1 264.332 2.685 20 30 CFEDMO N#Cc1cccc(CNC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000564088785 290192583 /nfs/dbraw/zinc/19/25/83/290192583.db2.gz AXZUPJFUWSBHOH-GOSISDBHSA-N 1 1 277.371 2.535 20 30 CFEDMO C[C@H]1CCC[C@@H]([N@@H+](C)Cc2cnc3c(C#N)cnn3c2)C1 ZINC000564989319 290255216 /nfs/dbraw/zinc/25/52/16/290255216.db2.gz YMGNFJQIYOBBQD-SWLSCSKDSA-N 1 1 283.379 2.611 20 30 CFEDMO CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CC1 ZINC000565046056 290262887 /nfs/dbraw/zinc/26/28/87/290262887.db2.gz IUWIKKIVHOGQQG-UHFFFAOYSA-N 1 1 259.309 2.698 20 30 CFEDMO Cn1cc([C@@H]([NH2+]Cc2ccc(C#N)cn2)C(C)(C)C)cn1 ZINC000568527775 290558529 /nfs/dbraw/zinc/55/85/29/290558529.db2.gz ZSJLVNFWHGTFMV-OAHLLOKOSA-N 1 1 283.379 2.564 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cc(C)oc1C ZINC001085478852 782074709 /nfs/dbraw/zinc/07/47/09/782074709.db2.gz GURNXIMBIINZNT-CQSZACIVSA-N 1 1 276.380 2.619 20 30 CFEDMO C=C[C@H](CC)CC(=O)N(C)CCCn1cc[nH+]c1C ZINC000935009972 649864618 /nfs/dbraw/zinc/86/46/18/649864618.db2.gz ANUMEYZOPPCONS-CQSZACIVSA-N 1 1 263.385 2.642 20 30 CFEDMO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ncc(Br)cn1 ZINC000339233208 328002783 /nfs/dbraw/zinc/00/27/83/328002783.db2.gz QKWYKFXKKIPNGU-NGZCFLSTSA-N 1 1 295.184 2.582 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@](C)(CC)C1 ZINC000531580283 328016459 /nfs/dbraw/zinc/01/64/59/328016459.db2.gz AATDOVILEODJJW-OAHLLOKOSA-N 1 1 252.402 2.533 20 30 CFEDMO C=CCC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC000563408878 328064126 /nfs/dbraw/zinc/06/41/26/328064126.db2.gz UTVYDXRYSAUQCH-AWEZNQCLSA-N 1 1 264.413 2.723 20 30 CFEDMO Cc1nnc([C@@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)[nH]1 ZINC000412042594 328102074 /nfs/dbraw/zinc/10/20/74/328102074.db2.gz OEUCYZOQFHCOGO-CYBMUJFWSA-N 1 1 275.400 2.623 20 30 CFEDMO Cc1n[nH]c([C@@H]2CC[N@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000412042594 328102076 /nfs/dbraw/zinc/10/20/76/328102076.db2.gz OEUCYZOQFHCOGO-CYBMUJFWSA-N 1 1 275.400 2.623 20 30 CFEDMO Cc1n[nH]c([C@@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)n1 ZINC000412042594 328102077 /nfs/dbraw/zinc/10/20/77/328102077.db2.gz OEUCYZOQFHCOGO-CYBMUJFWSA-N 1 1 275.400 2.623 20 30 CFEDMO Cc1nc([C@@H]2CC[N@H+](CCCCC(C)(C)C#N)C2)n[nH]1 ZINC000412042594 328102078 /nfs/dbraw/zinc/10/20/78/328102078.db2.gz OEUCYZOQFHCOGO-CYBMUJFWSA-N 1 1 275.400 2.623 20 30 CFEDMO Cc1nc([C@@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)n[nH]1 ZINC000412042594 328102080 /nfs/dbraw/zinc/10/20/80/328102080.db2.gz OEUCYZOQFHCOGO-CYBMUJFWSA-N 1 1 275.400 2.623 20 30 CFEDMO C=CCCCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571534512 328132396 /nfs/dbraw/zinc/13/23/96/328132396.db2.gz IDIQRFRVODAMRP-MRXNPFEDSA-N 1 1 272.392 2.591 20 30 CFEDMO C[C@H](NC(C)(C)C[NH+]=C(N(C)C)N(C)C)c1ccccc1 ZINC000262550661 328150681 /nfs/dbraw/zinc/15/06/81/328150681.db2.gz YBLZLAQHYMFVHG-AWEZNQCLSA-N 1 1 290.455 2.595 20 30 CFEDMO 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N#C[C@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000161915581 620452173 /nfs/dbraw/zinc/45/21/73/620452173.db2.gz GLUKKIDUWKOYMR-KGLIPLIRSA-N 1 1 256.349 2.788 20 30 CFEDMO N#C[C@H]1CCC[N@@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000161915581 620452175 /nfs/dbraw/zinc/45/21/75/620452175.db2.gz GLUKKIDUWKOYMR-KGLIPLIRSA-N 1 1 256.349 2.788 20 30 CFEDMO CCCCCCCC(=O)N[C@@H]1CCC[N@H+](CCF)C1 ZINC000898488873 620469875 /nfs/dbraw/zinc/46/98/75/620469875.db2.gz JRVWCACTIQLPHI-CQSZACIVSA-N 1 1 272.408 2.897 20 30 CFEDMO CCCCCCCC(=O)N[C@@H]1CCC[N@@H+](CCF)C1 ZINC000898488873 620469876 /nfs/dbraw/zinc/46/98/76/620469876.db2.gz JRVWCACTIQLPHI-CQSZACIVSA-N 1 1 272.408 2.897 20 30 CFEDMO C=C1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000898706155 620490339 /nfs/dbraw/zinc/49/03/39/620490339.db2.gz TYUFGLHUGWDYKI-OAHLLOKOSA-N 1 1 290.794 2.703 20 30 CFEDMO C=C1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000898706155 620490342 /nfs/dbraw/zinc/49/03/42/620490342.db2.gz TYUFGLHUGWDYKI-OAHLLOKOSA-N 1 1 290.794 2.703 20 30 CFEDMO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]2C2CCCC2)cc1 ZINC000899912693 620612594 /nfs/dbraw/zinc/61/25/94/620612594.db2.gz NOUVSAUYSFITDN-IAGOWNOFSA-N 1 1 270.376 2.856 20 30 CFEDMO CCCCCCCC[C@H]([NH3+])c1nc(COC)no1 ZINC000900003839 620620788 /nfs/dbraw/zinc/62/07/88/620620788.db2.gz RMFIIYZNKFTZHI-NSHDSACASA-N 1 1 255.362 2.966 20 30 CFEDMO Cn1c[nH+]cc1CCCON=Cc1cccc(F)c1 ZINC000902153075 620988349 /nfs/dbraw/zinc/98/83/49/620988349.db2.gz CMQDEAOVHKZTJQ-UHFFFAOYSA-N 1 1 261.300 2.543 20 30 CFEDMO CC1(C)C[NH2+]CC[C@@H](NCc2ccc(CC#N)cc2)C1 ZINC000902392751 621063179 /nfs/dbraw/zinc/06/31/79/621063179.db2.gz LMTAKDAJRALYPE-MRXNPFEDSA-N 1 1 271.408 2.620 20 30 CFEDMO C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(C#N)cc1F ZINC000902439986 621080598 /nfs/dbraw/zinc/08/05/98/621080598.db2.gz WEKNPBFYPNJYOC-HWOJHCLVSA-N 1 1 295.361 2.973 20 30 CFEDMO CC1(C)C[NH2+]C[C@@H]1NC1CCC(C#N)(c2ccccc2)CC1 ZINC000902450144 621091215 /nfs/dbraw/zinc/09/12/15/621091215.db2.gz RHYNYFAHALTPFX-HFCFLWKCSA-N 1 1 297.446 2.978 20 30 CFEDMO C#CCOc1ccc([C@H](C)[NH2+]Cc2csc(N)n2)cc1 ZINC000902491770 621102593 /nfs/dbraw/zinc/10/25/93/621102593.db2.gz SUWLJDGNZFXLNZ-NSHDSACASA-N 1 1 287.388 2.588 20 30 CFEDMO CCn1nc(C)c([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2)n1 ZINC000924784790 621163039 /nfs/dbraw/zinc/16/30/39/621163039.db2.gz IITFTDMUFNRBBL-VXGBXAGGSA-N 1 1 283.379 2.890 20 30 CFEDMO CC[C@@H]([NH2+][C@H](C)CCN(C)C)c1cccc(C#N)c1 ZINC000902780729 621172184 /nfs/dbraw/zinc/17/21/84/621172184.db2.gz QSOWPVAXWJKUKY-CZUORRHYSA-N 1 1 259.397 2.939 20 30 CFEDMO CC[C@@H](N[C@H](C)CC[NH+](C)C)c1cccc(C#N)c1 ZINC000902780729 621172185 /nfs/dbraw/zinc/17/21/85/621172185.db2.gz QSOWPVAXWJKUKY-CZUORRHYSA-N 1 1 259.397 2.939 20 30 CFEDMO CC[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cccc(C#N)c1 ZINC000902780730 621172209 /nfs/dbraw/zinc/17/22/09/621172209.db2.gz QSOWPVAXWJKUKY-XJKSGUPXSA-N 1 1 259.397 2.939 20 30 CFEDMO CC[C@@H](N[C@@H](C)CC[NH+](C)C)c1cccc(C#N)c1 ZINC000902780730 621172211 /nfs/dbraw/zinc/17/22/11/621172211.db2.gz QSOWPVAXWJKUKY-XJKSGUPXSA-N 1 1 259.397 2.939 20 30 CFEDMO Cc1cncc(C[NH2+][C@H](C)c2cc(C#N)ccn2)c1 ZINC000902889214 621200557 /nfs/dbraw/zinc/20/05/57/621200557.db2.gz DVBYVWXKVVGIDY-GFCCVEGCSA-N 1 1 252.321 2.508 20 30 CFEDMO Cc1ccc(C[NH2+][C@H](C)c2cc(C#N)ccn2)nc1C ZINC000903016758 621221879 /nfs/dbraw/zinc/22/18/79/621221879.db2.gz HFZOOMAUJDPVKR-CYBMUJFWSA-N 1 1 266.348 2.816 20 30 CFEDMO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cc(C#N)ccn2)cn1 ZINC000903013012 621229190 /nfs/dbraw/zinc/22/91/90/621229190.db2.gz WUSZOQKIQUBHDI-RYUDHWBXSA-N 1 1 269.352 2.581 20 30 CFEDMO CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1 ZINC000903033530 621230164 /nfs/dbraw/zinc/23/01/64/621230164.db2.gz WQIWIWYLFNMRKY-GFCCVEGCSA-N 1 1 271.364 2.989 20 30 CFEDMO COCCc1nc(C)c([C@@H](C)[NH2+]CC2(C#N)CCC2)s1 ZINC000903033260 621230193 /nfs/dbraw/zinc/23/01/93/621230193.db2.gz RKBXUPFRSCJGAS-LLVKDONJSA-N 1 1 293.436 2.985 20 30 CFEDMO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(C#N)CCC1)CC2 ZINC000903035009 621230704 /nfs/dbraw/zinc/23/07/04/621230704.db2.gz HGXCSTMNIIJZAL-OAHLLOKOSA-N 1 1 251.333 2.829 20 30 CFEDMO C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cc(C#N)ccn1 ZINC000903052291 621242552 /nfs/dbraw/zinc/24/25/52/621242552.db2.gz FJFXCMMJQIHTBD-GFCCVEGCSA-N 1 1 295.390 2.805 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1cc(C#N)ccn1 ZINC000903073868 621251546 /nfs/dbraw/zinc/25/15/46/621251546.db2.gz VNTPTWLYQKDNQT-ZJUUUORDSA-N 1 1 258.350 2.822 20 30 CFEDMO COCc1cc([C@@H](C)[NH2+]CC2(C#N)CC2)ccc1OC ZINC000903101647 621253403 /nfs/dbraw/zinc/25/34/03/621253403.db2.gz KLQFSNJCNLQGFS-GFCCVEGCSA-N 1 1 274.364 2.796 20 30 CFEDMO COCCOc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000903101512 621253418 /nfs/dbraw/zinc/25/34/18/621253418.db2.gz HRFQJNZUHUXFCI-ZDUSSCGKSA-N 1 1 274.364 2.666 20 30 CFEDMO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1(C#N)CC1 ZINC000903106138 621255567 /nfs/dbraw/zinc/25/55/67/621255567.db2.gz MWUWNXJQLWTDTR-HNNXBMFYSA-N 1 1 251.333 2.829 20 30 CFEDMO COC(=O)c1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)c(C)c1 ZINC000903109306 621256520 /nfs/dbraw/zinc/25/65/20/621256520.db2.gz NBDNQBRYYNTEGR-GFCCVEGCSA-N 1 1 272.348 2.736 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3[nH]ccc3C3CC3)CCC[C@H]12 ZINC000991019283 621268314 /nfs/dbraw/zinc/26/83/14/621268314.db2.gz MLZSYEAYRCLRRJ-MAUKXSAKSA-N 1 1 299.418 2.805 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN(C)CC[C@@H]([NH3+])C(C)C ZINC000903424698 621379841 /nfs/dbraw/zinc/37/98/41/621379841.db2.gz BYJQPBUFLBIQCJ-QGZVFWFLSA-N 1 1 273.424 2.980 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1[C@@H](C)NCC[C@@H]1C ZINC000903454943 621387939 /nfs/dbraw/zinc/38/79/39/621387939.db2.gz OOFBXJFDEYAIGG-FABXCBLPSA-N 1 1 271.408 2.651 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN[C@@H]1CC[NH2+]CC1(C)C ZINC000903454863 621388209 /nfs/dbraw/zinc/38/82/09/621388209.db2.gz LMBHLLBJTABZMY-MRXNPFEDSA-N 1 1 271.408 2.653 20 30 CFEDMO C[C@@H]1CC[C@@H](CN)[N@@H+](CC2CCC(C#N)CC2)[C@@H]1C ZINC000903482854 621393163 /nfs/dbraw/zinc/39/31/63/621393163.db2.gz VUNOLMLZHCUSBT-KBJXHQRYSA-N 1 1 263.429 2.764 20 30 CFEDMO C[N@H+](CCCCC1(C#N)CCC1)CC(C)(C)CN ZINC000903716994 621424668 /nfs/dbraw/zinc/42/46/68/621424668.db2.gz FXSLRTKOPDDBAJ-UHFFFAOYSA-N 1 1 251.418 2.767 20 30 CFEDMO C[N@@H+](CCCCC1(C#N)CCC1)CC(C)(C)CN ZINC000903716994 621424670 /nfs/dbraw/zinc/42/46/70/621424670.db2.gz FXSLRTKOPDDBAJ-UHFFFAOYSA-N 1 1 251.418 2.767 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CCCCC2(C#N)CCC2)[C@H]1CN ZINC000903717133 621424743 /nfs/dbraw/zinc/42/47/43/621424743.db2.gz HMEVFQPGOLUYKB-CABCVRRESA-N 1 1 263.429 2.910 20 30 CFEDMO C[C@@H]1CCCN(CCCCC2(C#N)CCC2)[C@H]1C[NH3+] ZINC000903717133 621424746 /nfs/dbraw/zinc/42/47/46/621424746.db2.gz HMEVFQPGOLUYKB-CABCVRRESA-N 1 1 263.429 2.910 20 30 CFEDMO C=CC[C@H]1[N@H+](Cc2ccc(N)nn2)CCCC1(C)C ZINC000904346962 621579809 /nfs/dbraw/zinc/57/98/09/621579809.db2.gz ACOJKUSQDUMBBL-CYBMUJFWSA-N 1 1 260.385 2.626 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2cn3ccccc3n2)no1 ZINC000904531544 621605232 /nfs/dbraw/zinc/60/52/32/621605232.db2.gz NRAMVRQGRLSXDW-CYBMUJFWSA-N 1 1 297.362 2.664 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(OCC)nc2)no1 ZINC000904566171 621611165 /nfs/dbraw/zinc/61/11/65/621611165.db2.gz QIDOZSNTOJRXDG-LBPRGKRZSA-N 1 1 288.351 2.886 20 30 CFEDMO CCC(C)(C)N(CCC#N)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000904679012 621621440 /nfs/dbraw/zinc/62/14/40/621621440.db2.gz WXKBYZNANWJBJD-CQSZACIVSA-N 1 1 279.428 2.790 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2ccc3c[nH]nc3c2)no1 ZINC000904695526 621626822 /nfs/dbraw/zinc/62/68/22/621626822.db2.gz ODXFZYCWMVWWDE-CYBMUJFWSA-N 1 1 297.362 2.893 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(C2(COC)CCCC2)no1 ZINC000904731800 621633030 /nfs/dbraw/zinc/63/30/30/621633030.db2.gz JUEWHLHNBZJBBC-GFCCVEGCSA-N 1 1 279.384 2.884 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H](C)CC2)c1O ZINC000905738416 621841121 /nfs/dbraw/zinc/84/11/21/621841121.db2.gz LFMVMVKAJKPCFF-ZDUSSCGKSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CCc1cc(C[N@@H+]2CCn3cccc3C2)c(O)c(OC)c1 ZINC000905744803 621843854 /nfs/dbraw/zinc/84/38/54/621843854.db2.gz JTULYMIOXVBMMI-UHFFFAOYSA-N 1 1 298.386 2.947 20 30 CFEDMO C=CCc1cc(C[N@H+]2CCn3cccc3C2)c(O)c(OC)c1 ZINC000905744803 621843863 /nfs/dbraw/zinc/84/38/63/621843863.db2.gz JTULYMIOXVBMMI-UHFFFAOYSA-N 1 1 298.386 2.947 20 30 CFEDMO C=CC[C@H]([NH2+][C@@H]1CCOC2(CCCCC2)C1)C(=O)OC ZINC000905765226 621856135 /nfs/dbraw/zinc/85/61/35/621856135.db2.gz BJBKTTSXKAACSC-KGLIPLIRSA-N 1 1 281.396 2.576 20 30 CFEDMO C=CC[C@@H]([NH2+]CC[C@]1(C)CC1(Cl)Cl)C(=O)OC ZINC000905771583 621861106 /nfs/dbraw/zinc/86/11/06/621861106.db2.gz SZZDXBZXGWNVPO-MWLCHTKSSA-N 1 1 280.195 2.668 20 30 CFEDMO C[N@@H+](Cc1cn(CCCC(C)(C)C#N)nn1)C(C)(C)C ZINC000905812754 621868221 /nfs/dbraw/zinc/86/82/21/621868221.db2.gz JNKUPPPOXSAZDQ-UHFFFAOYSA-N 1 1 277.416 2.838 20 30 CFEDMO Cc1cc(C(=O)N2CCC[N@H+](C(C)C)CC2)cc(C)c1C#N ZINC000906547599 622003476 /nfs/dbraw/zinc/00/34/76/622003476.db2.gz ZQKOVMQFLHCDHI-UHFFFAOYSA-N 1 1 299.418 2.731 20 30 CFEDMO C#CCOc1ccccc1NC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000907502898 622132327 /nfs/dbraw/zinc/13/23/27/622132327.db2.gz DUQHUDUWBBDXSH-GOEBONIOSA-N 1 1 298.386 2.654 20 30 CFEDMO CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1cc(C)c(C#N)c(C)c1 ZINC000907930888 622171958 /nfs/dbraw/zinc/17/19/58/622171958.db2.gz QLNNVIBGVTZJOH-INIZCTEOSA-N 1 1 299.418 2.731 20 30 CFEDMO CNc1ccc(C#N)cc1NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000907931379 622172036 /nfs/dbraw/zinc/17/20/36/622172036.db2.gz CCJFDCFJBUCUTF-BBRMVZONSA-N 1 1 298.390 2.555 20 30 CFEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H](C)C3CCC3)CCC[C@@H]12 ZINC000991332035 622522608 /nfs/dbraw/zinc/52/26/08/622522608.db2.gz OTWPCEBPNMCPNI-QGPMSJSTSA-N 1 1 288.435 2.559 20 30 CFEDMO C=C[C@H](CC)CC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000820308459 622646133 /nfs/dbraw/zinc/64/61/33/622646133.db2.gz KDTYXJWBVTXWIW-LSDHHAIUSA-N 1 1 278.440 2.922 20 30 CFEDMO C=CCC[C@H]1CCCN1C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000912254417 622673486 /nfs/dbraw/zinc/67/34/86/622673486.db2.gz VFIULJPCLTYSOU-HOTGVXAUSA-N 1 1 293.455 2.859 20 30 CFEDMO Cc1cc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)cc(C)c1C#N ZINC000912298319 622677726 /nfs/dbraw/zinc/67/77/26/622677726.db2.gz VBKBJXVGRYMWIG-OAHLLOKOSA-N 1 1 299.418 2.778 20 30 CFEDMO C[C@@H](C(=O)NCCC#C[Si](C)(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000912332517 622682688 /nfs/dbraw/zinc/68/26/88/622682688.db2.gz RSFOOCVYJMSNSO-ZNMIVQPWSA-N 1 1 294.515 2.635 20 30 CFEDMO C=CC[C@@H]1CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC000912389524 622704037 /nfs/dbraw/zinc/70/40/37/622704037.db2.gz UNHVTPADEYDGIF-PMPSAXMXSA-N 1 1 276.424 2.818 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc(C(C)(C)C)oc1C ZINC000820688180 622737150 /nfs/dbraw/zinc/73/71/50/622737150.db2.gz MDZZNZWIVKHHLE-UHFFFAOYSA-N 1 1 290.407 2.570 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3[nH]c(C)cc3C)CCC[C@H]12 ZINC000991419962 622811667 /nfs/dbraw/zinc/81/16/67/622811667.db2.gz ZGQXSCWQNRGQHG-YOEHRIQHSA-N 1 1 287.407 2.544 20 30 CFEDMO CN(C)c1[nH+]cc(/C=C/C(=O)c2ccc(F)cc2)n1C ZINC000821027152 622824737 /nfs/dbraw/zinc/82/47/37/622824737.db2.gz DZOICNDUAPGYRU-CMDGGOBGSA-N 1 1 273.311 2.521 20 30 CFEDMO CCCCC(N)=[NH+]OCc1cc(C(=O)OC)sc1C ZINC000151257660 622875397 /nfs/dbraw/zinc/87/53/97/622875397.db2.gz LAAUVGYQOQFKIR-UHFFFAOYSA-N 1 1 284.381 2.822 20 30 CFEDMO CC(C)C#CC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000821262156 622880537 /nfs/dbraw/zinc/88/05/37/622880537.db2.gz GITBVQMBAOCBOU-UHFFFAOYSA-N 1 1 298.430 2.599 20 30 CFEDMO CCCCC(N)=[NH+]OCC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000151313573 622887426 /nfs/dbraw/zinc/88/74/26/622887426.db2.gz KHPYXDRBTNWTIL-QWHCGFSZSA-N 1 1 283.416 2.503 20 30 CFEDMO CCCCCCCC(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000165021598 622978301 /nfs/dbraw/zinc/97/83/01/622978301.db2.gz DZHCBLNIQOIQNY-AWEZNQCLSA-N 1 1 254.418 2.900 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652467 623044201 /nfs/dbraw/zinc/04/42/01/623044201.db2.gz FJMUWJRUXQCEHG-IJEWVQPXSA-N 1 1 287.407 2.722 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCC#N)cc1 ZINC000157652467 623044206 /nfs/dbraw/zinc/04/42/06/623044206.db2.gz FJMUWJRUXQCEHG-IJEWVQPXSA-N 1 1 287.407 2.722 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)Cc3ccc(C)cc3)CCC[C@H]12 ZINC000991676122 623079059 /nfs/dbraw/zinc/07/90/59/623079059.db2.gz BQPGYDCRMVSBSH-PKOBYXMFSA-N 1 1 298.430 2.837 20 30 CFEDMO CCCCCCC[N@@H+](C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000158058788 623088156 /nfs/dbraw/zinc/08/81/56/623088156.db2.gz KQALRGJJBMAJQB-AWEZNQCLSA-N 1 1 273.442 2.608 20 30 CFEDMO C[C@@H]1CCCCC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000226733125 623089218 /nfs/dbraw/zinc/08/92/18/623089218.db2.gz LIXCQNPJRBIKFK-CZUORRHYSA-N 1 1 258.365 2.856 20 30 CFEDMO Cc1ccc(F)cc1-c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000822717804 623159500 /nfs/dbraw/zinc/15/95/00/623159500.db2.gz OMLLCOANXKKGPQ-LBPRGKRZSA-N 1 1 274.299 2.878 20 30 CFEDMO CCS[C@H](C)c1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000822869930 623192147 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C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000824772435 623562660 /nfs/dbraw/zinc/56/26/60/623562660.db2.gz JHDOSAUEMLDOBG-OLZOCXBDSA-N 1 1 252.402 2.578 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000824814832 623570550 /nfs/dbraw/zinc/57/05/50/623570550.db2.gz FYIQMLRYJWEVNB-GDBMZVCRSA-N 1 1 273.376 2.555 20 30 CFEDMO CO[C@@H]1CC[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)C[C@@H]1C ZINC000824814692 623571107 /nfs/dbraw/zinc/57/11/07/623571107.db2.gz DCHAKYPIFLUHQS-JJRVBVJISA-N 1 1 288.391 2.834 20 30 CFEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3cccc(C)c3C)CCC[C@H]12 ZINC000992463852 623580209 /nfs/dbraw/zinc/58/02/09/623580209.db2.gz HFMYFHBTVALWJR-PKOBYXMFSA-N 1 1 296.414 2.663 20 30 CFEDMO C=CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000824965913 623596907 /nfs/dbraw/zinc/59/69/07/623596907.db2.gz TVJMGVBCODFIQO-GJZGRUSLSA-N 1 1 264.413 2.674 20 30 CFEDMO C=C[C@H](CC)CC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1 ZINC000825018072 623608381 /nfs/dbraw/zinc/60/83/81/623608381.db2.gz 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GLWWSYSPFSOOCI-UHFFFAOYSA-N 1 1 256.393 2.632 20 30 CFEDMO CC#CCC[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000185012612 625674430 /nfs/dbraw/zinc/67/44/30/625674430.db2.gz FGQHTDANDLDCCQ-AWEZNQCLSA-N 1 1 280.412 2.731 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cnc3ccccc3c2C)C1 ZINC001015313668 623744424 /nfs/dbraw/zinc/74/44/24/623744424.db2.gz NOVWBUPICTWSMW-AWEZNQCLSA-N 1 1 295.386 2.533 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(O[C@@H](C)COC)cc1 ZINC000825710598 623745180 /nfs/dbraw/zinc/74/51/80/623745180.db2.gz VMQOWUHISUTOJN-KBPBESRZSA-N 1 1 261.365 2.554 20 30 CFEDMO C#C[C@H](NCc1c[nH+]c(C)n1C)c1ccc(Cl)cc1F ZINC000825886800 623765605 /nfs/dbraw/zinc/76/56/05/623765605.db2.gz QNOSAROBWVJORE-HNNXBMFYSA-N 1 1 291.757 2.985 20 30 CFEDMO CC#CCC[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000185016702 625676720 /nfs/dbraw/zinc/67/67/20/625676720.db2.gz BSHNPJXEDLOHSH-AWEZNQCLSA-N 1 1 280.412 2.589 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(F)cc2)[C@H]1C ZINC000992946332 623814388 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C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000829779690 624534314 /nfs/dbraw/zinc/53/43/14/624534314.db2.gz ZUOPTXRFVWIZCL-NWDGAFQWSA-N 1 1 259.353 2.743 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000829779690 624534322 /nfs/dbraw/zinc/53/43/22/624534322.db2.gz ZUOPTXRFVWIZCL-NWDGAFQWSA-N 1 1 259.353 2.743 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000829779667 624534465 /nfs/dbraw/zinc/53/44/65/624534465.db2.gz YWDJTBCNQFKRBJ-OAHLLOKOSA-N 1 1 284.403 2.624 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2cccc(F)c2)C1 ZINC000829779338 624534768 /nfs/dbraw/zinc/53/47/68/624534768.db2.gz QSGOBHGUOADKCW-ZIAGYGMSSA-N 1 1 288.366 2.888 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc3c(c2)c(C)nn3C)C1 ZINC000829779177 624534986 /nfs/dbraw/zinc/53/49/86/624534986.db2.gz OWPXKCXUKZLASD-CQSZACIVSA-N 1 1 282.391 2.512 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC000829784846 624536600 /nfs/dbraw/zinc/53/66/00/624536600.db2.gz 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624546607 /nfs/dbraw/zinc/54/66/07/624546607.db2.gz QGYSGTKLVRALNQ-CQSZACIVSA-N 1 1 253.349 2.570 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2ccccc2C(=O)OC)C1 ZINC000829810326 624549785 /nfs/dbraw/zinc/54/97/85/624549785.db2.gz NXGCMPGTODJTBM-AWEZNQCLSA-N 1 1 271.360 2.709 20 30 CFEDMO C#CC[C@H]1CCC[N@H+]([C@@H](C(=O)OC)c2ccccc2C)C1 ZINC000829810662 624550620 /nfs/dbraw/zinc/55/06/20/624550620.db2.gz SSKFLTIKXXAPSI-DOTOQJQBSA-N 1 1 285.387 2.944 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](C[C@H](Cc2ccccc2)OC)C1 ZINC000829814828 624552415 /nfs/dbraw/zinc/55/24/15/624552415.db2.gz AFRKHKPKUHYQQR-ROUUACIJSA-N 1 1 271.404 2.979 20 30 CFEDMO COc1ccc2c(c1)C[C@H](C[N@H+](C[C@@H](C)C#N)C1CC1)O2 ZINC000930087839 624592973 /nfs/dbraw/zinc/59/29/73/624592973.db2.gz OESJTHRCHGUFFK-BLLLJJGKSA-N 1 1 286.375 2.623 20 30 CFEDMO COc1ccc2c(c1)C[C@H](C[N@@H+](C[C@@H](C)C#N)C1CC1)O2 ZINC000930087839 624592979 /nfs/dbraw/zinc/59/29/79/624592979.db2.gz OESJTHRCHGUFFK-BLLLJJGKSA-N 1 1 286.375 2.623 20 30 CFEDMO C#Cc1cccc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)c1 ZINC000840757872 624681457 /nfs/dbraw/zinc/68/14/57/624681457.db2.gz MJYOWGARMZIITM-CYBMUJFWSA-N 1 1 265.360 2.661 20 30 CFEDMO C#CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000830316347 624706138 /nfs/dbraw/zinc/70/61/38/624706138.db2.gz OMCCWFCKKXNAQF-NSHDSACASA-N 1 1 292.329 2.637 20 30 CFEDMO C#CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@](C)(F)C1 ZINC000830322353 624707501 /nfs/dbraw/zinc/70/75/01/624707501.db2.gz WMDBFPOGSHWDSI-MRXNPFEDSA-N 1 1 298.402 2.681 20 30 CFEDMO C#CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@](C)(F)C1 ZINC000830322353 624707504 /nfs/dbraw/zinc/70/75/04/624707504.db2.gz WMDBFPOGSHWDSI-MRXNPFEDSA-N 1 1 298.402 2.681 20 30 CFEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000930126743 624716292 /nfs/dbraw/zinc/71/62/92/624716292.db2.gz QSDXBSPEXAGJGR-OAHLLOKOSA-N 1 1 281.363 2.630 20 30 CFEDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1cncc(C#N)c1 ZINC000930126743 624716296 /nfs/dbraw/zinc/71/62/96/624716296.db2.gz QSDXBSPEXAGJGR-OAHLLOKOSA-N 1 1 281.363 2.630 20 30 CFEDMO C=C(C)COC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000920611713 624743775 /nfs/dbraw/zinc/74/37/75/624743775.db2.gz PTAQDRCRVGCBSP-UHFFFAOYSA-N 1 1 274.364 2.726 20 30 CFEDMO CCCCCCC[N@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000830817811 624884723 /nfs/dbraw/zinc/88/47/23/624884723.db2.gz HQJJBTQCLQNDDD-BZUAXINKSA-N 1 1 269.429 2.819 20 30 CFEDMO CCCCCCCC[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000175248624 624938688 /nfs/dbraw/zinc/93/86/88/624938688.db2.gz QPIFGVBKKDGLLF-AWEZNQCLSA-N 1 1 254.418 2.934 20 30 CFEDMO C=C1CCC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000830980112 624944734 /nfs/dbraw/zinc/94/47/34/624944734.db2.gz IDCYIJGGCWXPEQ-HZPDHXFCSA-N 1 1 276.424 2.866 20 30 CFEDMO C=C(C)CC[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000831236880 624975460 /nfs/dbraw/zinc/97/54/60/624975460.db2.gz GDKHGKKRHKRDEQ-UHFFFAOYSA-N 1 1 268.401 2.940 20 30 CFEDMO C=C(Cl)C[N@H+]1C[C@H](C(=O)NCCCC)CC[C@H]1C ZINC000069173686 625059406 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DLMWDJIFZQCPNU-ZDUSSCGKSA-N 1 1 268.401 2.894 20 30 CFEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCC[C@@H](C)C1 ZINC000775734596 628060443 /nfs/dbraw/zinc/06/04/43/628060443.db2.gz ZOOXIQRWHZHHIA-CZUORRHYSA-N 1 1 286.375 2.894 20 30 CFEDMO COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCC[C@@H](C)C1 ZINC000775734596 628060447 /nfs/dbraw/zinc/06/04/47/628060447.db2.gz ZOOXIQRWHZHHIA-CZUORRHYSA-N 1 1 286.375 2.894 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)[C@@H]1CCCO1 ZINC000775805174 628070626 /nfs/dbraw/zinc/07/06/26/628070626.db2.gz DOMWBGZQRJQXGX-GJZGRUSLSA-N 1 1 288.391 2.529 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)[C@H]1CCCO1 ZINC000775802120 628070758 /nfs/dbraw/zinc/07/07/58/628070758.db2.gz YZXMYCNUZJOPKJ-GHMZBOCLSA-N 1 1 285.174 2.659 20 30 CFEDMO C#CC[N@@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000775843680 628074786 /nfs/dbraw/zinc/07/47/86/628074786.db2.gz HXIMYBXZRNFOSW-RDBSUJKOSA-N 1 1 263.381 2.594 20 30 CFEDMO C#CC[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@H]2CCCC[C@@H]21 ZINC000775843680 628074788 /nfs/dbraw/zinc/07/47/88/628074788.db2.gz HXIMYBXZRNFOSW-RDBSUJKOSA-N 1 1 263.381 2.594 20 30 CFEDMO N#CC1(COC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000775857177 628076538 /nfs/dbraw/zinc/07/65/38/628076538.db2.gz UJHGAXKHCKDNHK-INIZCTEOSA-N 1 1 298.386 2.746 20 30 CFEDMO CC[C@]1(C)COCC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000775981633 628090436 /nfs/dbraw/zinc/09/04/36/628090436.db2.gz SDLMXXMUHZLNFK-RHSMWYFYSA-N 1 1 288.391 2.978 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1 ZINC000775984913 628091055 /nfs/dbraw/zinc/09/10/55/628091055.db2.gz IDGKIRDGGOHXCC-QLFBSQMISA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)cc1 ZINC000775984913 628091060 /nfs/dbraw/zinc/09/10/60/628091060.db2.gz IDGKIRDGGOHXCC-QLFBSQMISA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCN(C)[C@@H](C)[C@H]2C)cc1 ZINC000775984913 628091065 /nfs/dbraw/zinc/09/10/65/628091065.db2.gz IDGKIRDGGOHXCC-QLFBSQMISA-N 1 1 287.407 2.502 20 30 CFEDMO C#CCCOc1ccc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000775985154 628091636 /nfs/dbraw/zinc/09/16/36/628091636.db2.gz KCWCKXLJINZXLP-CVEARBPZSA-N 1 1 286.419 2.613 20 30 CFEDMO C#CCCOc1ccc(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000775985154 628091639 /nfs/dbraw/zinc/09/16/39/628091639.db2.gz KCWCKXLJINZXLP-CVEARBPZSA-N 1 1 286.419 2.613 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000775985154 628091643 /nfs/dbraw/zinc/09/16/43/628091643.db2.gz KCWCKXLJINZXLP-CVEARBPZSA-N 1 1 286.419 2.613 20 30 CFEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000776007904 628094119 /nfs/dbraw/zinc/09/41/19/628094119.db2.gz NXFYXUUFPXTTHA-LBPRGKRZSA-N 1 1 298.390 2.925 20 30 CFEDMO C[C@H](NCC[N@@H+]1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000776164173 628109835 /nfs/dbraw/zinc/10/98/35/628109835.db2.gz XRNOQJQGYOJCHH-KBPBESRZSA-N 1 1 257.381 2.693 20 30 CFEDMO C[C@H](NCC[N@H+]1CCC[C@@H]1C)c1cccc(C#N)c1 ZINC000776164173 628109838 /nfs/dbraw/zinc/10/98/38/628109838.db2.gz XRNOQJQGYOJCHH-KBPBESRZSA-N 1 1 257.381 2.693 20 30 CFEDMO C[C@@H](C#N)CNN=C1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000776187991 628113803 /nfs/dbraw/zinc/11/38/03/628113803.db2.gz QZHPRGRICUFSNM-GJZGRUSLSA-N 1 1 284.407 2.634 20 30 CFEDMO C[C@@H](C#N)CNN=C1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000776187991 628113804 /nfs/dbraw/zinc/11/38/04/628113804.db2.gz QZHPRGRICUFSNM-GJZGRUSLSA-N 1 1 284.407 2.634 20 30 CFEDMO C#CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776587687 628162173 /nfs/dbraw/zinc/16/21/73/628162173.db2.gz YWXRFQXIITXIES-INIZCTEOSA-N 1 1 288.347 2.506 20 30 CFEDMO C#CCC[NH+]1CCN(Cc2c(C)cc(C)cc2C)CC1 ZINC000776593283 628163075 /nfs/dbraw/zinc/16/30/75/628163075.db2.gz FRWXTSBBMAMUKS-UHFFFAOYSA-N 1 1 270.420 2.753 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000776798156 628178937 /nfs/dbraw/zinc/17/89/37/628178937.db2.gz HANUESMAAPCOSN-HNNXBMFYSA-N 1 1 266.348 2.927 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000776798156 628178941 /nfs/dbraw/zinc/17/89/41/628178941.db2.gz HANUESMAAPCOSN-HNNXBMFYSA-N 1 1 266.348 2.927 20 30 CFEDMO C#CCOc1ccccc1C[N@H+](C)CC(O)(CC)CC ZINC000777582030 628238425 /nfs/dbraw/zinc/23/84/25/628238425.db2.gz ALUONPPJKJKAJY-UHFFFAOYSA-N 1 1 275.392 2.682 20 30 CFEDMO CCCCCCCC[N@@H+](C)CCNC(=O)N(C)C ZINC000777716663 628248646 /nfs/dbraw/zinc/24/86/46/628248646.db2.gz PUXWLCYGILRQEE-UHFFFAOYSA-N 1 1 257.422 2.550 20 30 CFEDMO C#CCOc1cccc(Cl)c1CN[C@@H]1CCC[N@@H+](C)C1 ZINC000778159378 628281817 /nfs/dbraw/zinc/28/18/17/628281817.db2.gz LFEWDKGOGXDBOC-CYBMUJFWSA-N 1 1 292.810 2.536 20 30 CFEDMO C#CCOc1cccc(Cl)c1CN[C@@H]1CCC[N@H+](C)C1 ZINC000778159378 628281821 /nfs/dbraw/zinc/28/18/21/628281821.db2.gz LFEWDKGOGXDBOC-CYBMUJFWSA-N 1 1 292.810 2.536 20 30 CFEDMO C=CCCCCC[N@H+](C)C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000778215767 628287912 /nfs/dbraw/zinc/28/79/12/628287912.db2.gz SIXWPDWURJBOKR-AWEZNQCLSA-N 1 1 281.396 2.901 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@H](CC=C)c1ccccc1 ZINC000778633607 628321047 /nfs/dbraw/zinc/32/10/47/628321047.db2.gz GYKWYOWKTLEKNT-ZWKOTPCHSA-N 1 1 297.398 2.987 20 30 CFEDMO C=CCC[C@H](C(=O)N1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000778933492 628340944 /nfs/dbraw/zinc/34/09/44/628340944.db2.gz OJNWMASROKMCHO-WBVHZDCISA-N 1 1 286.419 2.899 20 30 CFEDMO C=CCC[C@H](C(=O)N1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000778933492 628340947 /nfs/dbraw/zinc/34/09/47/628340947.db2.gz OJNWMASROKMCHO-WBVHZDCISA-N 1 1 286.419 2.899 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](CCO)CCCC ZINC000779148368 628355419 /nfs/dbraw/zinc/35/54/19/628355419.db2.gz QVMQGNFLJZJZKK-UHFFFAOYSA-N 1 1 295.810 2.946 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+](CCO)CCCC ZINC000779148368 628355422 /nfs/dbraw/zinc/35/54/22/628355422.db2.gz QVMQGNFLJZJZKK-UHFFFAOYSA-N 1 1 295.810 2.946 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)CC[C@@H](C)O ZINC000779158668 628357309 /nfs/dbraw/zinc/35/73/09/628357309.db2.gz VYXVQZRVMJCHHF-GFCCVEGCSA-N 1 1 281.783 2.555 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)CC[C@@H](C)O ZINC000779158668 628357312 /nfs/dbraw/zinc/35/73/12/628357312.db2.gz VYXVQZRVMJCHHF-GFCCVEGCSA-N 1 1 281.783 2.555 20 30 CFEDMO CC(C)CCn1cccc1C=NNc1cc[nH+]cc1 ZINC000779809308 628408617 /nfs/dbraw/zinc/40/86/17/628408617.db2.gz WEDGKSVHMLJHOP-UHFFFAOYSA-N 1 1 256.353 2.797 20 30 CFEDMO CC(=[NH+][N-]c1cc[nH+]cc1)c1ccc(F)cc1N(C)C ZINC000779808596 628408782 /nfs/dbraw/zinc/40/87/82/628408782.db2.gz CXRVVCPPRCWFHO-UHFFFAOYSA-N 1 1 272.327 2.545 20 30 CFEDMO Fc1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCCO2 ZINC000779809462 628408878 /nfs/dbraw/zinc/40/88/78/628408878.db2.gz JOBKFTHCXILSRS-UHFFFAOYSA-N 1 1 271.295 2.631 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000852099690 634654271 /nfs/dbraw/zinc/65/42/71/634654271.db2.gz CPSHIXVWXGGYNF-HNNXBMFYSA-N 1 1 289.766 2.880 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1nc(C)c2ccccc2n1 ZINC000852099711 634654738 /nfs/dbraw/zinc/65/47/38/634654738.db2.gz AGWYYEJVJCSZTH-INIZCTEOSA-N 1 1 253.349 2.830 20 30 CFEDMO C#C[C@](C)(CC)[NH2+]Cc1nccn1Cc1ccccc1 ZINC000852100729 634655640 /nfs/dbraw/zinc/65/56/40/634655640.db2.gz ZZVGRHZBMLFTKA-QGZVFWFLSA-N 1 1 267.376 2.823 20 30 CFEDMO CCCCC[C@H](C)NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000780333653 628456055 /nfs/dbraw/zinc/45/60/55/628456055.db2.gz PYSYDYVUTNYTCM-AWEZNQCLSA-N 1 1 279.428 2.697 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2)nc1 ZINC000780554777 628475519 /nfs/dbraw/zinc/47/55/19/628475519.db2.gz AZTLVWXQXSPSDH-UHFFFAOYSA-N 1 1 259.259 2.521 20 30 CFEDMO C#CCCCCCC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000780588194 628480016 /nfs/dbraw/zinc/48/00/16/628480016.db2.gz FNWMBFQIPHKIEC-MRXNPFEDSA-N 1 1 278.440 2.903 20 30 CFEDMO C=C(Cl)CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781400375 628545962 /nfs/dbraw/zinc/54/59/62/628545962.db2.gz IPRKEEHBZQUCKY-OLZOCXBDSA-N 1 1 299.846 2.691 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781532397 628557549 /nfs/dbraw/zinc/55/75/49/628557549.db2.gz PWGRTEXTCNWOMK-CQSZACIVSA-N 1 1 295.329 2.902 20 30 CFEDMO C=C[C@@](C)(CCOC)C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000782442451 628638457 /nfs/dbraw/zinc/63/84/57/628638457.db2.gz LVYZCGGKANWKHB-HOCLYGCPSA-N 1 1 283.412 2.633 20 30 CFEDMO C#CCOCC[N@H+](CCOC)Cc1ccc(F)c(Cl)c1 ZINC000852147540 634671349 /nfs/dbraw/zinc/67/13/49/634671349.db2.gz FEBHYKVKJCFBIJ-UHFFFAOYSA-N 1 1 299.773 2.577 20 30 CFEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCCCOc1ccc(C#N)cc1 ZINC000782911298 628663684 /nfs/dbraw/zinc/66/36/84/628663684.db2.gz SXNFXXRUEFNSJN-ZDUSSCGKSA-N 1 1 285.347 2.698 20 30 CFEDMO COc1ccc(C[NH2+][C@@H](C)c2nccnc2C)cc1C#N ZINC000783262905 628695055 /nfs/dbraw/zinc/69/50/55/628695055.db2.gz SNESVWHGKLXPKE-LBPRGKRZSA-N 1 1 282.347 2.516 20 30 CFEDMO COc1ccsc1[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783301673 628698776 /nfs/dbraw/zinc/69/87/76/628698776.db2.gz ZTBCCJBGNWCOOS-JTQLQIEISA-N 1 1 273.361 2.874 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCO1 ZINC000783678389 628733981 /nfs/dbraw/zinc/73/39/81/628733981.db2.gz FDLAYKMQIWQJKW-OCCSQVGLSA-N 1 1 294.738 2.519 20 30 CFEDMO C#CCOCC[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000852171965 634678883 /nfs/dbraw/zinc/67/88/83/634678883.db2.gz CLUUWKAWNBRGTR-KRWDZBQOSA-N 1 1 269.388 2.906 20 30 CFEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1ccc(C#N)c(Cl)c1 ZINC000783878677 628752819 /nfs/dbraw/zinc/75/28/19/628752819.db2.gz ZKOKLTOARVIXQU-SECBINFHSA-N 1 1 262.744 2.561 20 30 CFEDMO C=CC[N@@H+](CN1C[C@@H](c2cccc(C)c2)CC1=O)C1CC1 ZINC000783993545 628760733 /nfs/dbraw/zinc/76/07/33/628760733.db2.gz NBEJYUXMWZPRBP-INIZCTEOSA-N 1 1 284.403 2.919 20 30 CFEDMO C=CC[N@H+](CN1C[C@@H](c2cccc(C)c2)CC1=O)C1CC1 ZINC000783993545 628760737 /nfs/dbraw/zinc/76/07/37/628760737.db2.gz NBEJYUXMWZPRBP-INIZCTEOSA-N 1 1 284.403 2.919 20 30 CFEDMO C=CC[N@@H+](CN1C[C@H](c2ccccc2F)CC1=O)C1CC1 ZINC000783996261 628760746 /nfs/dbraw/zinc/76/07/46/628760746.db2.gz XUPGRFVOFBIADU-CYBMUJFWSA-N 1 1 288.366 2.750 20 30 CFEDMO C=CC[N@H+](CN1C[C@H](c2ccccc2F)CC1=O)C1CC1 ZINC000783996261 628760749 /nfs/dbraw/zinc/76/07/49/628760749.db2.gz XUPGRFVOFBIADU-CYBMUJFWSA-N 1 1 288.366 2.750 20 30 CFEDMO C=CC[N@@H+](CN1C[C@H](c2cccc(C)c2)CC1=O)C1CC1 ZINC000783993546 628760851 /nfs/dbraw/zinc/76/08/51/628760851.db2.gz NBEJYUXMWZPRBP-MRXNPFEDSA-N 1 1 284.403 2.919 20 30 CFEDMO C=CC[N@H+](CN1C[C@H](c2cccc(C)c2)CC1=O)C1CC1 ZINC000783993546 628760852 /nfs/dbraw/zinc/76/08/52/628760852.db2.gz NBEJYUXMWZPRBP-MRXNPFEDSA-N 1 1 284.403 2.919 20 30 CFEDMO COc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)c(O)cc1C ZINC000784017124 628764226 /nfs/dbraw/zinc/76/42/26/628764226.db2.gz ZXFSMNXWFGQZLA-INIZCTEOSA-N 1 1 274.364 2.835 20 30 CFEDMO COc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)c(O)cc1C ZINC000784017124 628764231 /nfs/dbraw/zinc/76/42/31/628764231.db2.gz ZXFSMNXWFGQZLA-INIZCTEOSA-N 1 1 274.364 2.835 20 30 CFEDMO CC(C)C[N@H+](CCC#N)CCCC(=O)OC(C)(C)C 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CC(C)C[N@@H+](CCC#N)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785457822 628885058 /nfs/dbraw/zinc/88/50/58/628885058.db2.gz SNXDPDXKZMCTFL-CYBMUJFWSA-N 1 1 283.416 2.771 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2cnc(-c3ccco3)s2)nc1 ZINC000785517936 628891183 /nfs/dbraw/zinc/89/11/83/628891183.db2.gz NDNWZFJSAMCTDF-UHFFFAOYSA-N 1 1 296.355 2.960 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCCCC(C)(C)C#N ZINC000785728356 628907232 /nfs/dbraw/zinc/90/72/32/628907232.db2.gz IWBUITWICILTTO-BETUJISGSA-N 1 1 266.385 2.732 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCC#Cc1ccc(F)cc1 ZINC000785729497 628908771 /nfs/dbraw/zinc/90/87/71/628908771.db2.gz JKPKMFBILBVING-OKILXGFUSA-N 1 1 289.350 2.593 20 30 CFEDMO CC(=O)c1ccc(C#N)cc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000785747615 628910424 /nfs/dbraw/zinc/91/04/24/628910424.db2.gz NZHKQPJOFJGBBE-CABCVRRESA-N 1 1 283.375 2.800 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000785999261 628929596 /nfs/dbraw/zinc/92/95/96/628929596.db2.gz 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289.423 2.895 20 30 CFEDMO C[C@@H](c1ccccn1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842153726 631554452 /nfs/dbraw/zinc/55/44/52/631554452.db2.gz OUACXFFVNOOCPQ-SUMWQHHRSA-N 1 1 281.359 2.680 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCCCC=C ZINC000811590910 631583124 /nfs/dbraw/zinc/58/31/24/631583124.db2.gz RISXNJJJDVLSIX-INIZCTEOSA-N 1 1 276.424 2.727 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCCCC=C ZINC000811590910 631583128 /nfs/dbraw/zinc/58/31/28/631583128.db2.gz RISXNJJJDVLSIX-INIZCTEOSA-N 1 1 276.424 2.727 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc2sccc2c1 ZINC000811590470 631583560 /nfs/dbraw/zinc/58/35/60/631583560.db2.gz WGDKROQAGPUXKW-HNNXBMFYSA-N 1 1 298.411 2.615 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2sccc2c1 ZINC000811590470 631583565 /nfs/dbraw/zinc/58/35/65/631583565.db2.gz WGDKROQAGPUXKW-HNNXBMFYSA-N 1 1 298.411 2.615 20 30 CFEDMO Cc1ccc(C)c(N[NH+]=Cc2cnc(N(C)C)n2C)c1 ZINC000811634475 631589688 /nfs/dbraw/zinc/58/96/88/631589688.db2.gz PSIGXBLZRIZTQO-UHFFFAOYSA-N 1 1 271.368 2.549 20 30 CFEDMO C[C@H]1C(=NOC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000811648801 631592789 /nfs/dbraw/zinc/59/27/89/631592789.db2.gz QYFDFXFZGQRYDC-AWEZNQCLSA-N 1 1 288.391 2.832 20 30 CFEDMO C[C@H](COc1ccccc1)NN=C1C[N@@H+](C2CC2)C[C@H]1C ZINC000811664868 631600283 /nfs/dbraw/zinc/60/02/83/631600283.db2.gz IZLWNWHWRKWCER-ZIAGYGMSSA-N 1 1 287.407 2.514 20 30 CFEDMO C[C@H](COc1ccccc1)NN=C1C[N@H+](C2CC2)C[C@H]1C ZINC000811664868 631600287 /nfs/dbraw/zinc/60/02/87/631600287.db2.gz IZLWNWHWRKWCER-ZIAGYGMSSA-N 1 1 287.407 2.514 20 30 CFEDMO CC[C@H](C)[N@@H+](C)CCNc1cc(C#N)ccc1C(C)=O ZINC000811803707 631623554 /nfs/dbraw/zinc/62/35/54/631623554.db2.gz PZCOLFMSZLBJEV-LBPRGKRZSA-N 1 1 273.380 2.903 20 30 CFEDMO C#Cc1ccccc1CC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000811900765 631638412 /nfs/dbraw/zinc/63/84/12/631638412.db2.gz FENNZPCOOGCIDQ-QAPCUYQASA-N 1 1 298.430 2.542 20 30 CFEDMO C#C[C@@H](C)N(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000812038065 631655676 /nfs/dbraw/zinc/65/56/76/631655676.db2.gz FYQNAEJGTJRLSO-CABCVRRESA-N 1 1 293.455 2.550 20 30 CFEDMO C[C@@H]1CC(N=NC23CC(C2)C3)C[N@H+]1Cc1ccccc1 ZINC000842546957 631661721 /nfs/dbraw/zinc/66/17/21/631661721.db2.gz ZKFDHIYLYZFRIS-BZOOQXSSSA-N 1 1 269.392 2.779 20 30 CFEDMO CCOC(=O)c1ccc(N=NC2C[N@@H+](C)C[C@@H]2C)cc1C ZINC000812228190 631671176 /nfs/dbraw/zinc/67/11/76/631671176.db2.gz GKFSXOXOXYTEKT-LBPRGKRZSA-N 1 1 289.379 2.521 20 30 CFEDMO C=CCCC[N@H+](C)CN1C[C@H](C2CCCC2)CC1=O ZINC000842597131 631675605 /nfs/dbraw/zinc/67/56/05/631675605.db2.gz WHGPJPPRFGRILD-OAHLLOKOSA-N 1 1 264.413 2.881 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cn2ccc(-c3nccs3)n2)C1 ZINC000842630070 631685388 /nfs/dbraw/zinc/68/53/88/631685388.db2.gz WRDBQXNBCUVMPT-CYBMUJFWSA-N 1 1 286.404 2.699 20 30 CFEDMO C#CC1CC[NH+](Cn2nc(Cl)c3ccccc32)CC1 ZINC000842634333 631688984 /nfs/dbraw/zinc/68/89/84/631688984.db2.gz UZVSVWVKGLJSJI-UHFFFAOYSA-N 1 1 273.767 2.992 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H](COC(=O)c2ccc(C#N)cc2)C1 ZINC000842833417 631757428 /nfs/dbraw/zinc/75/74/28/631757428.db2.gz JIDUGUWRXQMGDH-HNNXBMFYSA-N 1 1 286.375 2.835 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1ccc(F)cc1 ZINC000812794387 631779972 /nfs/dbraw/zinc/77/99/72/631779972.db2.gz ZXXZXMHRBLEEBH-AWEZNQCLSA-N 1 1 299.301 2.724 20 30 CFEDMO C#CCOc1ccc([C@H](C)NCC[N@@H+](C)C(C)C)cc1 ZINC000155752861 650031154 /nfs/dbraw/zinc/03/11/54/650031154.db2.gz XUOCFCSILYJHJU-HNNXBMFYSA-N 1 1 274.408 2.689 20 30 CFEDMO C#CCOc1ccc([C@H](C)NCC[N@H+](C)C(C)C)cc1 ZINC000155752861 650031158 /nfs/dbraw/zinc/03/11/58/650031158.db2.gz XUOCFCSILYJHJU-HNNXBMFYSA-N 1 1 274.408 2.689 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+]C[C@@H](O)c1c(F)cccc1Cl ZINC000843086042 631830802 /nfs/dbraw/zinc/83/08/02/631830802.db2.gz ZRGLREUZXCVNEG-GXFFZTMASA-N 1 1 295.745 2.546 20 30 CFEDMO Cc1nnc([C@@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)[nH]1 ZINC000813331333 631903806 /nfs/dbraw/zinc/90/38/06/631903806.db2.gz JHKNFRUWMIOCPP-GFCCVEGCSA-N 1 1 299.378 2.647 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000843423500 631951641 /nfs/dbraw/zinc/95/16/41/631951641.db2.gz FZODYDBBZWGMNZ-ZDUSSCGKSA-N 1 1 253.349 2.798 20 30 CFEDMO C#Cc1ccc(C[N@H+](CCC)[C@H]2CCN(C)C2)cc1 ZINC000843422782 631952337 /nfs/dbraw/zinc/95/23/37/631952337.db2.gz RTWPJKMSUMSQEL-KRWDZBQOSA-N 1 1 256.393 2.584 20 30 CFEDMO C#Cc1ccc(CN(CCC)[C@H]2CC[N@H+](C)C2)cc1 ZINC000843422782 631952341 /nfs/dbraw/zinc/95/23/41/631952341.db2.gz RTWPJKMSUMSQEL-KRWDZBQOSA-N 1 1 256.393 2.584 20 30 CFEDMO C#Cc1ccc(CN(CCC)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000843422782 631952347 /nfs/dbraw/zinc/95/23/47/631952347.db2.gz RTWPJKMSUMSQEL-KRWDZBQOSA-N 1 1 256.393 2.584 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(C(=O)OC)c(CC)o2)C1 ZINC000843422926 631952384 /nfs/dbraw/zinc/95/23/84/631952384.db2.gz JIRKALNNFNXZIC-ZDUSSCGKSA-N 1 1 289.375 2.864 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000843424005 631953670 /nfs/dbraw/zinc/95/36/70/631953670.db2.gz NQQUORBWYBLFMW-ZDUSSCGKSA-N 1 1 259.349 2.636 20 30 CFEDMO C#CC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000843426734 631954656 /nfs/dbraw/zinc/95/46/56/631954656.db2.gz ILBHMFOXEGQDRJ-UHFFFAOYSA-N 1 1 294.192 3.000 20 30 CFEDMO C#C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C ZINC000813776448 631958610 /nfs/dbraw/zinc/95/86/10/631958610.db2.gz FMLVAFKGCQJACP-CVEARBPZSA-N 1 1 290.451 2.948 20 30 CFEDMO C=CCC(C)(C)COC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000814003065 631990704 /nfs/dbraw/zinc/99/07/04/631990704.db2.gz NQXVIEFCMIIWKI-GFCCVEGCSA-N 1 1 271.426 2.569 20 30 CFEDMO C=CCC(C)(C)COC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000814003065 631990706 /nfs/dbraw/zinc/99/07/06/631990706.db2.gz NQXVIEFCMIIWKI-GFCCVEGCSA-N 1 1 271.426 2.569 20 30 CFEDMO C#CCCCCCC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000814161793 632019203 /nfs/dbraw/zinc/01/92/03/632019203.db2.gz XXDYBOVBWFFWBX-MRXNPFEDSA-N 1 1 290.451 2.903 20 30 CFEDMO C#CC[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000843999305 632091538 /nfs/dbraw/zinc/09/15/38/632091538.db2.gz MXBHUFBANZBPFA-WBVHZDCISA-N 1 1 284.403 2.551 20 30 CFEDMO C#C[C@@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000844148048 632127437 /nfs/dbraw/zinc/12/74/37/632127437.db2.gz ZRTRIKRNLRZLHE-DLBZAZTESA-N 1 1 284.403 2.742 20 30 CFEDMO c1cc2c3c(c1)C(=NNCC[NH+]1CCCCC1)CC[C@H]3CN2 ZINC000814809028 632130113 /nfs/dbraw/zinc/13/01/13/632130113.db2.gz XHVHGJSCUSMACV-AWEZNQCLSA-N 1 1 298.434 2.769 20 30 CFEDMO FC(F)CN[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814854606 632139674 /nfs/dbraw/zinc/13/96/74/632139674.db2.gz OZIFIZQIDQFKHR-QMMMGPOBSA-N 1 1 251.280 2.548 20 30 CFEDMO C[C@@H](C#N)CNN=C1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000814881742 632146426 /nfs/dbraw/zinc/14/64/26/632146426.db2.gz WOMBIUFBAUVWBJ-LSDHHAIUSA-N 1 1 284.407 2.776 20 30 CFEDMO C[C@@H](C#N)CNN=C1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000814881742 632146429 /nfs/dbraw/zinc/14/64/29/632146429.db2.gz WOMBIUFBAUVWBJ-LSDHHAIUSA-N 1 1 284.407 2.776 20 30 CFEDMO CC(=[NH+]N[C@H](C)CC#N)c1ccc(Cl)c(N)c1 ZINC000814883319 632147638 /nfs/dbraw/zinc/14/76/38/632147638.db2.gz JFHAKUJPOKANKS-MRVPVSSYSA-N 1 1 250.733 2.538 20 30 CFEDMO CC(=[NH+][N-]c1cc[nH+]cc1)c1ccc(Cl)c(N)c1 ZINC000814899610 632154824 /nfs/dbraw/zinc/15/48/24/632154824.db2.gz DWHYVVCPCKWVHR-UHFFFAOYSA-N 1 1 260.728 2.575 20 30 CFEDMO CCOc1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCO2 ZINC000814899672 632155226 /nfs/dbraw/zinc/15/52/26/632155226.db2.gz HTYCHYAAEDZOSC-UHFFFAOYSA-N 1 1 283.331 2.501 20 30 CFEDMO CC1(C)CCCC[C@@H]1N[NH+]=C1CCCc2nc(N)ncc21 ZINC000814916515 632163731 /nfs/dbraw/zinc/16/37/31/632163731.db2.gz BHQJXTSNNZTZEK-AWEZNQCLSA-N 1 1 287.411 2.658 20 30 CFEDMO COCCCNN=C1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000814919301 632164124 /nfs/dbraw/zinc/16/41/24/632164124.db2.gz PFFLUOBXMJAYQA-HNNXBMFYSA-N 1 1 289.423 2.653 20 30 CFEDMO COCCCNN=C1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000814919301 632164127 /nfs/dbraw/zinc/16/41/27/632164127.db2.gz PFFLUOBXMJAYQA-HNNXBMFYSA-N 1 1 289.423 2.653 20 30 CFEDMO C[C@H]1C(N=Nc2nccn2C)CCC[N@H+]1Cc1ccccc1 ZINC000814918422 632164246 /nfs/dbraw/zinc/16/42/46/632164246.db2.gz PIUPQNFUYOUKQG-AWEZNQCLSA-N 1 1 297.406 2.873 20 30 CFEDMO COCCN(C)N=C1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000814926329 632167640 /nfs/dbraw/zinc/16/76/40/632167640.db2.gz NZDGQDUAXYSPLM-HNNXBMFYSA-N 1 1 289.423 2.605 20 30 CFEDMO COCCN(C)N=C1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000814926329 632167644 /nfs/dbraw/zinc/16/76/44/632167644.db2.gz NZDGQDUAXYSPLM-HNNXBMFYSA-N 1 1 289.423 2.605 20 30 CFEDMO C[C@H]1CC(N=Nc2nnc(-c3ccccc3)s2)C[N@@H+]1C ZINC000814947536 632178125 /nfs/dbraw/zinc/17/81/25/632178125.db2.gz XDUSPGVPJZJQHV-JTQLQIEISA-N 1 1 287.392 2.697 20 30 CFEDMO C[C@H]1CC(N=Nc2nnc(-c3ccccc3)s2)C[N@H+]1C ZINC000814947536 632178128 /nfs/dbraw/zinc/17/81/28/632178128.db2.gz XDUSPGVPJZJQHV-JTQLQIEISA-N 1 1 287.392 2.697 20 30 CFEDMO Cc1cnc([C@@H](C)[N@H+](C)C[C@H](O)c2cccc(C#N)c2)o1 ZINC000844368141 632181757 /nfs/dbraw/zinc/18/17/57/632181757.db2.gz WWJKATLQTSLGRL-DOMZBBRYSA-N 1 1 285.347 2.581 20 30 CFEDMO Cc1cnc([C@@H](C)[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)o1 ZINC000844368141 632181760 /nfs/dbraw/zinc/18/17/60/632181760.db2.gz WWJKATLQTSLGRL-DOMZBBRYSA-N 1 1 285.347 2.581 20 30 CFEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@@H]1CC1(Cl)Cl ZINC000844366478 632182344 /nfs/dbraw/zinc/18/23/44/632182344.db2.gz PKOHRHWMJAKPPG-QWHCGFSZSA-N 1 1 299.201 2.717 20 30 CFEDMO Cc1cnc([C@H](C)[N@H+](C)C[C@@H](O)c2cccc(C#N)c2)o1 ZINC000844368143 632182487 /nfs/dbraw/zinc/18/24/87/632182487.db2.gz WWJKATLQTSLGRL-SWLSCSKDSA-N 1 1 285.347 2.581 20 30 CFEDMO Cc1cnc([C@H](C)[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)o1 ZINC000844368143 632182492 /nfs/dbraw/zinc/18/24/92/632182492.db2.gz WWJKATLQTSLGRL-SWLSCSKDSA-N 1 1 285.347 2.581 20 30 CFEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)[C@H]1C=CCCC1 ZINC000844370486 632183664 /nfs/dbraw/zinc/18/36/64/632183664.db2.gz RPGFBTDKXPEFJB-HOTGVXAUSA-N 1 1 256.349 2.632 20 30 CFEDMO C#CCNC(=O)CC[N@H+](CCC)[C@@H](CC)c1ccccc1 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C=C[C@H](C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000859999055 636758729 /nfs/dbraw/zinc/75/87/29/636758729.db2.gz HMKNRFLSJWNKID-DOTOQJQBSA-N 1 1 298.430 2.979 20 30 CFEDMO CCOC(C[N@H+]1CCc2c(CC#N)cccc2C1)OCC ZINC000860107583 636789200 /nfs/dbraw/zinc/78/92/00/636789200.db2.gz JAEDFPYVYWTUEQ-UHFFFAOYSA-N 1 1 288.391 2.510 20 30 CFEDMO C=CCCC[N@@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000117881750 637038191 /nfs/dbraw/zinc/03/81/91/637038191.db2.gz SOEUYSZFXRMVMK-UHFFFAOYSA-N 1 1 297.782 2.987 20 30 CFEDMO C=CCCC[N@H+](CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000117881750 637038196 /nfs/dbraw/zinc/03/81/96/637038196.db2.gz SOEUYSZFXRMVMK-UHFFFAOYSA-N 1 1 297.782 2.987 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)cc1 ZINC000188324228 650324039 /nfs/dbraw/zinc/32/40/39/650324039.db2.gz GMTFBIIYHMRCEJ-YOEHRIQHSA-N 1 1 273.376 2.555 20 30 CFEDMO C=CCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000862170272 637283038 /nfs/dbraw/zinc/28/30/38/637283038.db2.gz LFYPSMYVKFMMIY-KRWDZBQOSA-N 1 1 298.430 2.981 20 30 CFEDMO C#CC[N@@H+](CC)Cc1c(O)cccc1Br ZINC000862233799 637293773 /nfs/dbraw/zinc/29/37/73/637293773.db2.gz UHCWLTMRGBURSG-UHFFFAOYSA-N 1 1 268.154 2.610 20 30 CFEDMO C#CC[N@H+](CC)Cc1c(O)cccc1Br ZINC000862233799 637293775 /nfs/dbraw/zinc/29/37/75/637293775.db2.gz UHCWLTMRGBURSG-UHFFFAOYSA-N 1 1 268.154 2.610 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1c(O)cccc1Br ZINC000862349195 637325873 /nfs/dbraw/zinc/32/58/73/637325873.db2.gz SGFCMCAXZFWLGS-SECBINFHSA-N 1 1 268.154 2.608 20 30 CFEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@]1(C)CCCS1 ZINC000862402111 637358910 /nfs/dbraw/zinc/35/89/10/637358910.db2.gz ZBVCYKMFESKLSA-HOTGVXAUSA-N 1 1 290.432 2.809 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2c(C)[nH]c(C(=O)OCC)c2C)C1 ZINC000862402166 637358932 /nfs/dbraw/zinc/35/89/32/637358932.db2.gz IOBIXWPZZXBDDK-CQSZACIVSA-N 1 1 288.391 2.653 20 30 CFEDMO C[N@@H+](Cc1cnc(C2CC2)o1)C[C@@H](O)c1cccc(C#N)c1 ZINC000862401528 637359548 /nfs/dbraw/zinc/35/95/48/637359548.db2.gz QKYKVMYKUCVDRR-MRXNPFEDSA-N 1 1 297.358 2.589 20 30 CFEDMO C[N@H+](Cc1cnc(C2CC2)o1)C[C@@H](O)c1cccc(C#N)c1 ZINC000862401528 637359557 /nfs/dbraw/zinc/35/95/57/637359557.db2.gz QKYKVMYKUCVDRR-MRXNPFEDSA-N 1 1 297.358 2.589 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(/C=C\C(=O)OC)o2)C1 ZINC000862442168 637382274 /nfs/dbraw/zinc/38/22/74/637382274.db2.gz YDCRHMGSFJLJCY-WSROAFLRSA-N 1 1 275.348 2.864 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000862443243 637383523 /nfs/dbraw/zinc/38/35/23/637383523.db2.gz MVGSLLNPDZWHLX-HNNXBMFYSA-N 1 1 265.360 2.718 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2nc3ccccc3n2CC)C1 ZINC000862443786 637383741 /nfs/dbraw/zinc/38/37/41/637383741.db2.gz UCPIYVQOYWWOPZ-CQSZACIVSA-N 1 1 267.376 2.901 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(OC)ccc2OCOC)C1 ZINC000862444618 637385043 /nfs/dbraw/zinc/38/50/43/637385043.db2.gz DGOULOXDGGWQDR-AWEZNQCLSA-N 1 1 289.375 2.523 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000862445186 637386053 /nfs/dbraw/zinc/38/60/53/637386053.db2.gz NTDYRQFNLUQOJE-GFCCVEGCSA-N 1 1 273.767 2.833 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000862447082 637387648 /nfs/dbraw/zinc/38/76/48/637387648.db2.gz IJFREUVVWCIOLM-HNNXBMFYSA-N 1 1 279.387 2.932 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000862445667 637387713 /nfs/dbraw/zinc/38/77/13/637387713.db2.gz ZEYHYHUPFCBHSZ-CQSZACIVSA-N 1 1 265.360 2.922 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000862445667 637387717 /nfs/dbraw/zinc/38/77/17/637387717.db2.gz ZEYHYHUPFCBHSZ-CQSZACIVSA-N 1 1 265.360 2.922 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](Cc2c[nH]c(-c3ccccc3)n2)C1 ZINC000862445667 637387723 /nfs/dbraw/zinc/38/77/23/637387723.db2.gz ZEYHYHUPFCBHSZ-CQSZACIVSA-N 1 1 265.360 2.922 20 30 CFEDMO C#CC[C@H]1CC[N@H+](CC2(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000862447531 637387966 /nfs/dbraw/zinc/38/79/66/637387966.db2.gz NRPRYRSYVXYHOL-AWEZNQCLSA-N 1 1 292.423 2.637 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000862447791 637389663 /nfs/dbraw/zinc/38/96/63/637389663.db2.gz QZGDYPQPQQAGST-MAUKXSAKSA-N 1 1 285.387 2.700 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)CC1(C)COC1 ZINC000862479498 637397337 /nfs/dbraw/zinc/39/73/37/637397337.db2.gz QIZOOEIRUNQZLK-UHFFFAOYSA-N 1 1 293.794 2.820 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)CC1(C)COC1 ZINC000862479498 637397339 /nfs/dbraw/zinc/39/73/39/637397339.db2.gz QIZOOEIRUNQZLK-UHFFFAOYSA-N 1 1 293.794 2.820 20 30 CFEDMO C#CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000862574783 637440530 /nfs/dbraw/zinc/44/05/30/637440530.db2.gz MXHXAQPAURJURN-WBVHZDCISA-N 1 1 288.435 2.655 20 30 CFEDMO O=C(C#Cc1ccccc1)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000862629124 637454398 /nfs/dbraw/zinc/45/43/98/637454398.db2.gz MWTAYKUXMZIKNX-SFHVURJKSA-N 1 1 296.414 2.561 20 30 CFEDMO C[N@H+]1CCC(N=Nc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000863065885 637547183 /nfs/dbraw/zinc/54/71/83/637547183.db2.gz NHVOURFYIVBUCH-UHFFFAOYSA-N 1 1 276.340 2.867 20 30 CFEDMO CC[C@H]1CC(=O)N(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)C1 ZINC000119252207 637550678 /nfs/dbraw/zinc/55/06/78/637550678.db2.gz LQMOQLYKIUWXCZ-HNNXBMFYSA-N 1 1 299.418 2.985 20 30 CFEDMO CC[C@H]1CC(=O)N(C[N@@H+](Cc2ccc(C#N)cc2)C(C)C)C1 ZINC000119252207 637550683 /nfs/dbraw/zinc/55/06/83/637550683.db2.gz LQMOQLYKIUWXCZ-HNNXBMFYSA-N 1 1 299.418 2.985 20 30 CFEDMO C/C=C/C[C@@H]1CCC[N@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000863340637 637631580 /nfs/dbraw/zinc/63/15/80/637631580.db2.gz MGYLUKCNSTTXOC-NHZBNJEXSA-N 1 1 285.391 2.664 20 30 CFEDMO C/C=C/C[C@@H]1CCC[N@@H+](Cn2ccc(C)c(C#N)c2=O)C1 ZINC000863340637 637631586 /nfs/dbraw/zinc/63/15/86/637631586.db2.gz MGYLUKCNSTTXOC-NHZBNJEXSA-N 1 1 285.391 2.664 20 30 CFEDMO C#CCOc1ccc(C[N@@H+](C)CC2(N(C)C)CCC2)cc1 ZINC000189009249 650356660 /nfs/dbraw/zinc/35/66/60/650356660.db2.gz CYBDBGMMEPDNOY-UHFFFAOYSA-N 1 1 286.419 2.615 20 30 CFEDMO C#CCOc1ccc(C[N@H+](C)CC2(N(C)C)CCC2)cc1 ZINC000189009249 650356662 /nfs/dbraw/zinc/35/66/62/650356662.db2.gz CYBDBGMMEPDNOY-UHFFFAOYSA-N 1 1 286.419 2.615 20 30 CFEDMO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000864067943 637855431 /nfs/dbraw/zinc/85/54/31/637855431.db2.gz MFUDAZSUXOXOFP-HNNXBMFYSA-N 1 1 284.403 2.518 20 30 CFEDMO CCCCCCCN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000189406922 650378541 /nfs/dbraw/zinc/37/85/41/650378541.db2.gz VUNDDYFLPRUADO-HNNXBMFYSA-N 1 1 270.461 2.734 20 30 CFEDMO CCCCCCC[N@@H+]1CCN(CC(C)(C)O)C[C@@H]1C ZINC000189406922 650378546 /nfs/dbraw/zinc/37/85/46/650378546.db2.gz VUNDDYFLPRUADO-HNNXBMFYSA-N 1 1 270.461 2.734 20 30 CFEDMO CCCCCCC[N@H+]1CCN(CC(C)(C)O)C[C@@H]1C ZINC000189406922 650378554 /nfs/dbraw/zinc/37/85/54/650378554.db2.gz VUNDDYFLPRUADO-HNNXBMFYSA-N 1 1 270.461 2.734 20 30 CFEDMO Oc1ccccc1/C=N\C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000864345908 637947060 /nfs/dbraw/zinc/94/70/60/637947060.db2.gz JIAIFPMZYGXSRC-ZCQLHAAUSA-N 1 1 258.365 2.828 20 30 CFEDMO Oc1cccc(/C=N/C[C@@H]2CC[N@H+]2C2CCCC2)c1O ZINC000864345968 637947139 /nfs/dbraw/zinc/94/71/39/637947139.db2.gz LCAYZRYTBASZBS-FBJMNJBLSA-N 1 1 274.364 2.534 20 30 CFEDMO C=CCCC[N@H+](C)Cn1nccc1-c1cccnc1 ZINC000076664937 650396881 /nfs/dbraw/zinc/39/68/81/650396881.db2.gz VVPJVTYLAOKMPU-UHFFFAOYSA-N 1 1 256.353 2.801 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CC2CCCC2)c1 ZINC000076748967 650401294 /nfs/dbraw/zinc/40/12/94/650401294.db2.gz ONMNQUHLXFPNID-UHFFFAOYSA-N 1 1 270.376 2.728 20 30 CFEDMO CC(C)[N@@H+](C)CCCNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865440075 638336702 /nfs/dbraw/zinc/33/67/02/638336702.db2.gz CBLGYIBJERSZKC-UHFFFAOYSA-N 1 1 294.330 2.748 20 30 CFEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C)no2)c1 ZINC000865464090 638352682 /nfs/dbraw/zinc/35/26/82/638352682.db2.gz SISGYXBVQCXELS-CQSZACIVSA-N 1 1 285.347 2.954 20 30 CFEDMO C=CCCCO[NH+]=C(N)Cc1ccc(OC)c(OC)c1 ZINC000077239244 650415754 /nfs/dbraw/zinc/41/57/54/650415754.db2.gz QRPKZAFJTFZJKE-UHFFFAOYSA-N 1 1 278.352 2.501 20 30 CFEDMO C[C@@H](CNc1cc(F)c(C#N)cc1[N+](=O)[O-])[N@@H+](C)C1CC1 ZINC000865504427 638383791 /nfs/dbraw/zinc/38/37/91/638383791.db2.gz NSZKXSJCXLTQKK-VIFPVBQESA-N 1 1 292.314 2.500 20 30 CFEDMO C[C@@H]1C[C@H](Nc2cc(C(F)(F)F)cc(C#N)n2)CC[N@H+]1C ZINC000865558524 638421676 /nfs/dbraw/zinc/42/16/76/638421676.db2.gz RYQCDDGTTZPNBR-MWLCHTKSSA-N 1 1 298.312 2.867 20 30 CFEDMO CC1CCC(N(C)C(=O)CO[NH+]=C(N)C2CCCC2)CC1 ZINC000077375886 650420073 /nfs/dbraw/zinc/42/00/73/650420073.db2.gz LXXLJPFIUIIAIO-UHFFFAOYSA-N 1 1 295.427 2.503 20 30 CFEDMO C[C@H]1CCC[N@H+]1CCNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865563871 638426832 /nfs/dbraw/zinc/42/68/32/638426832.db2.gz BSKATOUTXRRKGY-JTQLQIEISA-N 1 1 292.314 2.502 20 30 CFEDMO C=CCOc1ccccc1CNc1cc2n(n1)CC[N@H+](C)C2 ZINC000865845086 638608916 /nfs/dbraw/zinc/60/89/16/638608916.db2.gz HBHDBMMOQFTOGO-UHFFFAOYSA-N 1 1 298.390 2.505 20 30 CFEDMO C#C[C@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000865917007 638656575 /nfs/dbraw/zinc/65/65/75/638656575.db2.gz XCGOXHPXAKXOGH-LBPRGKRZSA-N 1 1 281.315 2.993 20 30 CFEDMO N#Cc1ccc(NC[C@H]2CC[N@H+]2C2CCCCCC2)nn1 ZINC000866191967 638766846 /nfs/dbraw/zinc/76/68/46/638766846.db2.gz BNHIJUUAVYEQND-OAHLLOKOSA-N 1 1 285.395 2.557 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1cccnc1C#N ZINC000866195237 638767554 /nfs/dbraw/zinc/76/75/54/638767554.db2.gz PTFHSXBSEFLACS-MRXNPFEDSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1cccnc1C#N ZINC000866195237 638767555 /nfs/dbraw/zinc/76/75/55/638767555.db2.gz PTFHSXBSEFLACS-MRXNPFEDSA-N 1 1 264.332 2.552 20 30 CFEDMO Cc1nc(NC[C@H]2c3ccccc3C[N@H+]2C)ccc1C#N ZINC000866195069 638767838 /nfs/dbraw/zinc/76/78/38/638767838.db2.gz MLFNAIFPOICBFI-INIZCTEOSA-N 1 1 278.359 2.860 20 30 CFEDMO Cc1nc(NC[C@H]2c3ccccc3C[N@@H+]2C)ccc1C#N ZINC000866195069 638767841 /nfs/dbraw/zinc/76/78/41/638767841.db2.gz MLFNAIFPOICBFI-INIZCTEOSA-N 1 1 278.359 2.860 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3nc4ccccc4cc3C#N)CC[C@H]21 ZINC000866204639 638769980 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CC#CC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000870009651 639496875 /nfs/dbraw/zinc/49/68/75/639496875.db2.gz QMNWFJVZHNESED-QGZVFWFLSA-N 1 1 284.403 2.571 20 30 CFEDMO C#CC[N@H+](C)Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000192844859 650601706 /nfs/dbraw/zinc/60/17/06/650601706.db2.gz ZJHMUPZJHPIMMS-UHFFFAOYSA-N 1 1 259.349 2.707 20 30 CFEDMO C#CCCCC(=O)O[C@@H](C)C[C@@H]1CCCC[N@H+]1C ZINC000870785259 641065601 /nfs/dbraw/zinc/06/56/01/641065601.db2.gz NIRPZVCXFZNCNW-KBPBESRZSA-N 1 1 251.370 2.596 20 30 CFEDMO C=CCCO[C@H](C)C(=O)O[C@@H](C)C[C@H]1CCCC[N@H+]1C ZINC000870788106 641070830 /nfs/dbraw/zinc/07/08/30/641070830.db2.gz FCSRGPPLRRBYMQ-RRFJBIMHSA-N 1 1 283.412 2.774 20 30 CFEDMO CC(C)(C)c1noc(CO[NH+]=C(N)C2CCCCC2)n1 ZINC000123388558 641112470 /nfs/dbraw/zinc/11/24/70/641112470.db2.gz HFYZEFJCZGGLBN-UHFFFAOYSA-N 1 1 280.372 2.736 20 30 CFEDMO C=CCC(CC=C)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871155200 641219797 /nfs/dbraw/zinc/21/97/97/641219797.db2.gz NKDTWDZUJPQTQK-UHFFFAOYSA-N 1 1 264.413 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/nfs/dbraw/zinc/11/47/76/779114776.db2.gz QMWNMDXETFKXSS-QGZVFWFLSA-N 1 1 278.359 2.994 20 30 CFEDMO Cc1ccc([C@H]2CCC[N@H+]2Cc2ccnc(C#N)c2)cn1 ZINC001237466748 779114780 /nfs/dbraw/zinc/11/47/80/779114780.db2.gz QMWNMDXETFKXSS-QGZVFWFLSA-N 1 1 278.359 2.994 20 30 CFEDMO C[N@@H+](CC/C=C/c1cccnc1)Cc1ccnc(C#N)c1 ZINC001237468450 779115169 /nfs/dbraw/zinc/11/51/69/779115169.db2.gz GXRFPLJTVXBIRR-GORDUTHDSA-N 1 1 278.359 2.884 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@H](Oc3ccc(F)cc3)C2)ccn1 ZINC001237470109 779115957 /nfs/dbraw/zinc/11/59/57/779115957.db2.gz MUDGKMGJUFZZQZ-KRWDZBQOSA-N 1 1 297.333 2.746 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)ccn1 ZINC001237470109 779115959 /nfs/dbraw/zinc/11/59/59/779115959.db2.gz MUDGKMGJUFZZQZ-KRWDZBQOSA-N 1 1 297.333 2.746 20 30 CFEDMO CCCCCCCC[N@H+]1CC[C@@]2(CCN(C)C2=O)C1 ZINC001272478845 779124011 /nfs/dbraw/zinc/12/40/11/779124011.db2.gz QFOPWFKFOLBMLV-INIZCTEOSA-N 1 1 266.429 2.901 20 30 CFEDMO CCCCCCCC[N@H+]1CCOC[C@]2(CC(=O)N(C)C2)C1 ZINC001272479066 779125933 /nfs/dbraw/zinc/12/59/33/779125933.db2.gz UOHWOZULDUTKTR-KRWDZBQOSA-N 1 1 296.455 2.528 20 30 CFEDMO N#Cc1cc(CN2CCC[N@H+]3CCC[C@H]3C2)c(F)cc1F ZINC001237525289 779127119 /nfs/dbraw/zinc/12/71/19/779127119.db2.gz CPJKMOTWWYMJDJ-AWEZNQCLSA-N 1 1 291.345 2.507 20 30 CFEDMO CC[N@@H+](Cc1cc(C#N)c(F)cc1F)C1CCOCC1 ZINC001237526474 779127375 /nfs/dbraw/zinc/12/73/75/779127375.db2.gz PLHCIVCWCOSDBW-UHFFFAOYSA-N 1 1 280.318 2.837 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC)CC(C)(C)C1 ZINC001089282872 779129249 /nfs/dbraw/zinc/12/92/49/779129249.db2.gz ARRCAOLISLPMQR-GFCCVEGCSA-N 1 1 272.820 2.756 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)F)CC(C)(C)C1 ZINC001089294824 779140301 /nfs/dbraw/zinc/14/03/01/779140301.db2.gz AEQKBFXXUFLKJA-LBPRGKRZSA-N 1 1 270.392 2.527 20 30 CFEDMO C[C@]1(F)CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)CC1 ZINC001237608424 779141776 /nfs/dbraw/zinc/14/17/76/779141776.db2.gz GKXRRJBFLJFBKW-INIZCTEOSA-N 1 1 286.354 2.920 20 30 CFEDMO C=C(C)CN1CC[C@]2(CC[N@@H+](CCC(C)(C)C)C2)C1=O ZINC001272495064 779142176 /nfs/dbraw/zinc/14/21/76/779142176.db2.gz GKPSKRFMICTIQZ-KRWDZBQOSA-N 1 1 278.440 2.923 20 30 CFEDMO C[C@H]1CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)[C@H]1C ZINC001237615679 779144339 /nfs/dbraw/zinc/14/43/39/779144339.db2.gz YLHLSPOTWGSPHE-STQMWFEESA-N 1 1 268.364 2.826 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cccc3[nH]ccc32)C1 ZINC001030995336 779162592 /nfs/dbraw/zinc/16/25/92/779162592.db2.gz DOTIHUXADZROLG-UHFFFAOYSA-N 1 1 283.375 2.548 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)C2[C@@H]3CCCCCC[C@@H]23)C1 ZINC001031009114 779169971 /nfs/dbraw/zinc/16/99/71/779169971.db2.gz FBUYBTMKWIMIQC-HUUCEWRRSA-N 1 1 276.424 2.579 20 30 CFEDMO C#CC[NH+]1CCN(Cc2ccc(Cl)c(CC)c2)CC1 ZINC001237740887 779172081 /nfs/dbraw/zinc/17/20/81/779172081.db2.gz YQNGJEIBRWNWOL-UHFFFAOYSA-N 1 1 276.811 2.653 20 30 CFEDMO C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237745744 779173068 /nfs/dbraw/zinc/17/30/68/779173068.db2.gz IBKGJROHJKUCLV-HZMBPMFUSA-N 1 1 264.756 2.557 20 30 CFEDMO C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001046415077 779174456 /nfs/dbraw/zinc/17/44/56/779174456.db2.gz MBZUSRUWZDCGEK-RDJZCZTQSA-N 1 1 276.424 2.890 20 30 CFEDMO C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC=CCCC2)C1 ZINC001046415559 779174817 /nfs/dbraw/zinc/17/48/17/779174817.db2.gz OZRGKZAZOYPZHQ-WMZOPIPTSA-N 1 1 288.435 2.727 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001237753968 779175189 /nfs/dbraw/zinc/17/51/89/779175189.db2.gz QVWNFMIXOLHJEV-UKRRQHHQSA-N 1 1 276.767 2.822 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2)CC(C)(C)C1 ZINC001089304207 779180117 /nfs/dbraw/zinc/18/01/17/779180117.db2.gz YZPPJLQYGZMYJW-MRXNPFEDSA-N 1 1 284.403 2.540 20 30 CFEDMO Cc1cc(F)cc(C[N@H+]2CCC[C@H](C#N)CC2)c1O ZINC001238071416 779246710 /nfs/dbraw/zinc/24/67/10/779246710.db2.gz XBZKWTKZDRHLLA-LBPRGKRZSA-N 1 1 262.328 2.965 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c(Cl)c1 ZINC001238080360 779247782 /nfs/dbraw/zinc/24/77/82/779247782.db2.gz OQOLSADEFRXYSR-UONOGXRCSA-N 1 1 282.746 2.506 20 30 CFEDMO CO[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2Cl)C1 ZINC001238085244 779249773 /nfs/dbraw/zinc/24/97/73/779249773.db2.gz YTWQESPPAVTHLR-SNVBAGLBSA-N 1 1 264.756 2.678 20 30 CFEDMO Cc1[nH+]cc2n1CCN(Cc1ccc(Cl)c(C#N)c1)C2 ZINC001238189187 779274004 /nfs/dbraw/zinc/27/40/04/779274004.db2.gz NYQDEDVCRCTQDH-UHFFFAOYSA-N 1 1 286.766 2.732 20 30 CFEDMO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238190995 779274889 /nfs/dbraw/zinc/27/48/89/779274889.db2.gz HRPDNCFEGZIVGN-LBPRGKRZSA-N 1 1 292.766 2.597 20 30 CFEDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)C1 ZINC001238190995 779274894 /nfs/dbraw/zinc/27/48/94/779274894.db2.gz HRPDNCFEGZIVGN-LBPRGKRZSA-N 1 1 292.766 2.597 20 30 CFEDMO CC[N@@H+](CCn1cccn1)Cc1ccc(Cl)c(C#N)c1 ZINC001238191548 779274993 /nfs/dbraw/zinc/27/49/93/779274993.db2.gz NGWAQLDROMPKQH-UHFFFAOYSA-N 1 1 288.782 2.930 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccc(Cl)c(C#N)c2)CCC[C@H]1O ZINC001238189784 779275408 /nfs/dbraw/zinc/27/54/08/779275408.db2.gz WMJQZRUZMHJWHI-XHDPSFHLSA-N 1 1 278.783 2.804 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)CC[C@@H]1O ZINC001238189682 779275452 /nfs/dbraw/zinc/27/54/52/779275452.db2.gz VRDHIEDXYJURGP-NHYWBVRUSA-N 1 1 278.783 2.804 20 30 CFEDMO C[N@@H+](Cc1ccc(Cl)c(C#N)c1)CC1(C)COC1 ZINC001238193256 779276137 /nfs/dbraw/zinc/27/61/37/779276137.db2.gz BTCKQVQUXRQMCG-UHFFFAOYSA-N 1 1 264.756 2.680 20 30 CFEDMO C[NH+](C)CC1CCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238193440 779276241 /nfs/dbraw/zinc/27/62/41/779276241.db2.gz DEBPPTMQWKSHRK-UHFFFAOYSA-N 1 1 291.826 2.985 20 30 CFEDMO CCOC(=O)CC[N@@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238193125 779276897 /nfs/dbraw/zinc/27/68/97/779276897.db2.gz YMVUHMRBARFBNI-UHFFFAOYSA-N 1 1 280.755 2.597 20 30 CFEDMO CC[N@H+]1CCC[C@H](Oc2c(C)cc(C#N)cc2OC)C1 ZINC001234865365 779277408 /nfs/dbraw/zinc/27/74/08/779277408.db2.gz RRZNIQJGUCBMRD-AWEZNQCLSA-N 1 1 274.364 2.738 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2C2CCCC2)C1 ZINC001031175372 779278588 /nfs/dbraw/zinc/27/85/88/779278588.db2.gz RUYBSBPONSUSQQ-JKSUJKDBSA-N 1 1 276.424 2.579 20 30 CFEDMO C=CC(C)(C)CC(=O)N1CCC[C@@H]1C[N@H+](C)CC ZINC001281939005 779295029 /nfs/dbraw/zinc/29/50/29/779295029.db2.gz AGLCUOYJURWOSY-CYBMUJFWSA-N 1 1 252.402 2.531 20 30 CFEDMO C=CCCCCC[N@H+](C)CCCNC(=O)[C@H](CC)OCC ZINC001235029110 779304094 /nfs/dbraw/zinc/30/40/94/779304094.db2.gz IKJVHHIAXJTKNY-INIZCTEOSA-N 1 1 298.471 2.986 20 30 CFEDMO COc1cc(C[N@@H+](C)CCc2cccnc2)ccc1C#N ZINC001238408851 779307424 /nfs/dbraw/zinc/30/74/24/779307424.db2.gz CUBYTUSVUGELJA-UHFFFAOYSA-N 1 1 281.359 2.636 20 30 CFEDMO COc1cc(C[N@H+]2CC(C)(C)C[C@@]2(C)CO)ccc1C#N ZINC001238409191 779307962 /nfs/dbraw/zinc/30/79/62/779307962.db2.gz CTYUOJLBKXXFCQ-KRWDZBQOSA-N 1 1 288.391 2.550 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc3ccncc3c2)C1 ZINC001031209982 779317219 /nfs/dbraw/zinc/31/72/19/779317219.db2.gz RHRZKRWKVPSWEW-UHFFFAOYSA-N 1 1 295.386 2.615 20 30 CFEDMO C#CC1CC[NH+](Cc2ncc(OC)cc2Cl)CC1 ZINC001238488680 779331468 /nfs/dbraw/zinc/33/14/68/779331468.db2.gz BTXQEFWBAHTMGP-UHFFFAOYSA-N 1 1 264.756 2.589 20 30 CFEDMO C#CCN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C)cc2C)C1=O ZINC001272640205 779366388 /nfs/dbraw/zinc/36/63/88/779366388.db2.gz UJRIALSVUARJSC-IBGZPJMESA-N 1 1 296.414 2.504 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001046788560 779372805 /nfs/dbraw/zinc/37/28/05/779372805.db2.gz DVJOKZHJLHFTQI-JFIYKMOQSA-N 1 1 290.451 2.807 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C2CC2)CC(C)(C)C1 ZINC001089352534 779378096 /nfs/dbraw/zinc/37/80/96/779378096.db2.gz SXHUDYWSHVYULL-UKRRQHHQSA-N 1 1 278.440 2.825 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C2CC2)CC(C)(C)C1 ZINC001089354078 779380637 /nfs/dbraw/zinc/38/06/37/779380637.db2.gz GODWUPUYMKYPOW-GOEBONIOSA-N 1 1 290.451 2.663 20 30 CFEDMO CCc1cc(C[N@H+]2CCCC[C@@](O)(CF)C2)ccc1C#N ZINC001238765615 779384007 /nfs/dbraw/zinc/38/40/07/779384007.db2.gz GCDVFTGKFSISEW-QGZVFWFLSA-N 1 1 290.382 2.807 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccccc2)C1 ZINC001031280287 779384867 /nfs/dbraw/zinc/38/48/67/779384867.db2.gz HPLYDEGDJAVGRS-DLBZAZTESA-N 1 1 284.403 2.557 20 30 CFEDMO CCc1cc(C[N@H+]2CCC[C@](O)(CF)CC2)ccc1C#N ZINC001238767512 779385896 /nfs/dbraw/zinc/38/58/96/779385896.db2.gz WKHXNWPWERFCDO-QGZVFWFLSA-N 1 1 290.382 2.807 20 30 CFEDMO CCc1cc(CN2C[C@H]3[C@H](C2)CCC[N@H+]3C)ccc1C#N ZINC001238768625 779386387 /nfs/dbraw/zinc/38/63/87/779386387.db2.gz LSCLKLCYNUIBCH-ROUUACIJSA-N 1 1 283.419 2.647 20 30 CFEDMO CCc1cc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3C)ccc1C#N ZINC001238768625 779386393 /nfs/dbraw/zinc/38/63/93/779386393.db2.gz LSCLKLCYNUIBCH-ROUUACIJSA-N 1 1 283.419 2.647 20 30 CFEDMO CCc1cc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3C)ccc1C#N ZINC001238768625 779386396 /nfs/dbraw/zinc/38/63/96/779386396.db2.gz LSCLKLCYNUIBCH-ROUUACIJSA-N 1 1 283.419 2.647 20 30 CFEDMO CCc1cc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)ccc1C#N ZINC001238768490 779387062 /nfs/dbraw/zinc/38/70/62/779387062.db2.gz JTVJQRPEXRWHEX-IRXDYDNUSA-N 1 1 270.376 2.589 20 30 CFEDMO CCc1cc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)ccc1C#N ZINC001238777173 779389426 /nfs/dbraw/zinc/38/94/26/779389426.db2.gz CPORLYDRAWUPIF-FZDBZEDMSA-N 1 1 282.387 2.730 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC001031296251 779391596 /nfs/dbraw/zinc/39/15/96/779391596.db2.gz ADSJNKLVLYEPEA-UHFFFAOYSA-N 1 1 298.308 2.696 20 30 CFEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2scnc2Cl)C1 ZINC001046843400 779396937 /nfs/dbraw/zinc/39/69/37/779396937.db2.gz WBYRKVKGJAGSHM-ZDUSSCGKSA-N 1 1 299.827 2.567 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)C2(C3CCCCC3)CC2)C1 ZINC001031315266 779417824 /nfs/dbraw/zinc/41/78/24/779417824.db2.gz BKTUXSRTYYLJTG-UHFFFAOYSA-N 1 1 276.424 2.723 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC2(C)C)CC(C)(C)C1 ZINC001089362248 779423997 /nfs/dbraw/zinc/42/39/97/779423997.db2.gz 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CC(C)[N@@H+](Cc1nnc(-c2cccc(C#N)c2)o1)C1CC1 ZINC000075637444 347089166 /nfs/dbraw/zinc/08/91/66/347089166.db2.gz VFLBIJFFTYBJHP-UHFFFAOYSA-N 1 1 282.347 2.981 20 30 CFEDMO CCC#C[C@@H](C)[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000677048508 539533009 /nfs/dbraw/zinc/53/30/09/539533009.db2.gz ZPUNCIHSABUKAG-CZUORRHYSA-N 1 1 288.366 2.665 20 30 CFEDMO CCC#C[C@@H](C)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000677048508 539533014 /nfs/dbraw/zinc/53/30/14/539533014.db2.gz ZPUNCIHSABUKAG-CZUORRHYSA-N 1 1 288.366 2.665 20 30 CFEDMO Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(C)CC2)c(C#N)c1C ZINC000025545372 346260380 /nfs/dbraw/zinc/26/03/80/346260380.db2.gz PADKINVRKMKGAA-LBPRGKRZSA-N 1 1 289.379 2.827 20 30 CFEDMO N#Cc1ccc(CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000023375608 346252427 /nfs/dbraw/zinc/25/24/27/346252427.db2.gz VHZJLFRPLBRTQB-UHFFFAOYSA-N 1 1 297.427 2.938 20 30 CFEDMO C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)Cc1cccc(C#N)c1 ZINC000026325227 346264081 /nfs/dbraw/zinc/26/40/81/346264081.db2.gz IYUMTBPFOVDQPN-AWEZNQCLSA-N 1 1 299.418 2.827 20 30 CFEDMO C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000026325227 346264083 /nfs/dbraw/zinc/26/40/83/346264083.db2.gz IYUMTBPFOVDQPN-AWEZNQCLSA-N 1 1 299.418 2.827 20 30 CFEDMO C=C(C)C[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000075633916 347089608 /nfs/dbraw/zinc/08/96/08/347089608.db2.gz VIDNETCRGDUARE-UHFFFAOYSA-N 1 1 264.413 2.677 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1)Cc1cccc(C(N)=O)c1 ZINC000029241010 346279769 /nfs/dbraw/zinc/27/97/69/346279769.db2.gz JWKSCMRFCGWEGI-UHFFFAOYSA-N 1 1 280.371 2.974 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000029443140 346281203 /nfs/dbraw/zinc/28/12/03/346281203.db2.gz ITVOVSONROMBCC-AEFFLSMTSA-N 1 1 299.418 2.878 20 30 CFEDMO CC(C)[C@@H](C)[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000030148891 346286742 /nfs/dbraw/zinc/28/67/42/346286742.db2.gz ANTVIIYDDHKTNB-SNVBAGLBSA-N 1 1 265.382 2.535 20 30 CFEDMO C[N@@H+](Cc1cccc(N)c1)Cc1cccc(C#N)c1 ZINC000035359926 346319918 /nfs/dbraw/zinc/31/99/18/346319918.db2.gz CQXPCPTWPVWZBP-UHFFFAOYSA-N 1 1 251.333 2.772 20 30 CFEDMO C=CCOc1ccc(C[N@@H+](C)CC(=O)N(CC)CC)cc1 ZINC000042364225 346364180 /nfs/dbraw/zinc/36/41/80/346364180.db2.gz RYUJUCCSGGNIGP-UHFFFAOYSA-N 1 1 290.407 2.552 20 30 CFEDMO C=CCOc1ccc(C[N@H+](C)CC(=O)N(CC)CC)cc1 ZINC000042364225 346364181 /nfs/dbraw/zinc/36/41/81/346364181.db2.gz RYUJUCCSGGNIGP-UHFFFAOYSA-N 1 1 290.407 2.552 20 30 CFEDMO CCC(C#N)(CC)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000044764818 346398417 /nfs/dbraw/zinc/39/84/17/346398417.db2.gz YDCURTNXSBDPCP-AWEZNQCLSA-N 1 1 279.428 2.697 20 30 CFEDMO CCCC[N@@H+](CC(=O)N(C)C1(C#N)CCCCC1)C1CC1 ZINC000046602978 346430409 /nfs/dbraw/zinc/43/04/09/346430409.db2.gz JYZXMBLADNWMTA-UHFFFAOYSA-N 1 1 291.439 2.936 20 30 CFEDMO N#Cc1ccc(F)c(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000046092381 346419618 /nfs/dbraw/zinc/41/96/18/346419618.db2.gz WPSIBQWWBJPAFB-CYBMUJFWSA-N 1 1 274.339 2.698 20 30 CFEDMO C=CCCSCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000596650153 349968918 /nfs/dbraw/zinc/96/89/18/349968918.db2.gz IFKJBDMGKKJZSW-HOCLYGCPSA-N 1 1 278.465 2.844 20 30 CFEDMO C=CCCSCCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000596650153 349968919 /nfs/dbraw/zinc/96/89/19/349968919.db2.gz IFKJBDMGKKJZSW-HOCLYGCPSA-N 1 1 278.465 2.844 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)N1CCCC[C@H]1CC ZINC000052890371 346531211 /nfs/dbraw/zinc/53/12/11/346531211.db2.gz NEICMULQCWWJLJ-CQSZACIVSA-N 1 1 252.402 2.676 20 30 CFEDMO CCCCC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000055294203 346586603 /nfs/dbraw/zinc/58/66/03/346586603.db2.gz CTGFDQFEKWRHJT-UHFFFAOYSA-N 1 1 299.418 2.783 20 30 CFEDMO C[NH+](C)CCC1CCN(Cc2ccc(C#N)cc2F)CC1 ZINC000056524730 346611038 /nfs/dbraw/zinc/61/10/38/346611038.db2.gz UEABXGZOOPUITJ-UHFFFAOYSA-N 1 1 289.398 2.861 20 30 CFEDMO CC(C)[N@@H+](C)CC1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000060395374 346665072 /nfs/dbraw/zinc/66/50/72/346665072.db2.gz TXONQVHUBNRBHG-UHFFFAOYSA-N 1 1 299.418 2.751 20 30 CFEDMO 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CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC000081584627 374707324 /nfs/dbraw/zinc/70/73/24/374707324.db2.gz CMLJRPLCHMSTOR-QGZVFWFLSA-N 1 1 271.408 2.722 20 30 CFEDMO COc1ccc(C[N@H+](C)Cc2cccnc2)cc1C#N ZINC000087833166 374832901 /nfs/dbraw/zinc/83/29/01/374832901.db2.gz LZVBOGOYNHYMTL-UHFFFAOYSA-N 1 1 267.332 2.594 20 30 CFEDMO COc1ccc(C[N@@H+](C)Cc2cccnc2)cc1C#N ZINC000087833166 374832908 /nfs/dbraw/zinc/83/29/08/374832908.db2.gz LZVBOGOYNHYMTL-UHFFFAOYSA-N 1 1 267.332 2.594 20 30 CFEDMO CC1(C)C[N@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000091917453 375070582 /nfs/dbraw/zinc/07/05/82/375070582.db2.gz BUJVNZQQLNKKIL-UHFFFAOYSA-N 1 1 288.391 2.980 20 30 CFEDMO CC1(C)C[N@@H+](Cc2cccc(OCCCC#N)c2)CCO1 ZINC000091917453 375070588 /nfs/dbraw/zinc/07/05/88/375070588.db2.gz BUJVNZQQLNKKIL-UHFFFAOYSA-N 1 1 288.391 2.980 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC000092017091 375081934 /nfs/dbraw/zinc/08/19/34/375081934.db2.gz YAOCINSMJQVBGC-KGLIPLIRSA-N 1 1 261.365 2.861 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2C[C@H](C)OC[C@H]2C)cc1 ZINC000092017091 375081940 /nfs/dbraw/zinc/08/19/40/375081940.db2.gz YAOCINSMJQVBGC-KGLIPLIRSA-N 1 1 261.365 2.861 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CCCOC[C@H]2C)cc1OC ZINC000678272682 541993540 /nfs/dbraw/zinc/99/35/40/541993540.db2.gz HFVHCRVBBJHRTB-CQSZACIVSA-N 1 1 291.391 2.871 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc(C#N)o1 ZINC000093325017 375211773 /nfs/dbraw/zinc/21/17/73/375211773.db2.gz SIHFGOZTTRKXRI-HNNXBMFYSA-N 1 1 295.386 2.858 20 30 CFEDMO C#CC[NH2+]CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000095081743 375407925 /nfs/dbraw/zinc/40/79/25/375407925.db2.gz FCBTTXRWKDRHPV-UHFFFAOYSA-N 1 1 290.672 2.520 20 30 CFEDMO COCC#CC[N@@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000678316003 542005590 /nfs/dbraw/zinc/00/55/90/542005590.db2.gz UNQZCZZBAXOYFO-OLZOCXBDSA-N 1 1 261.340 2.783 20 30 CFEDMO COCC#CC[N@H+]1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000678316003 542005593 /nfs/dbraw/zinc/00/55/93/542005593.db2.gz UNQZCZZBAXOYFO-OLZOCXBDSA-N 1 1 261.340 2.783 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCC1CCCCC1 ZINC000101565856 375641405 /nfs/dbraw/zinc/64/14/05/375641405.db2.gz KQJJROJUPFJVAI-CYBMUJFWSA-N 1 1 252.402 2.579 20 30 CFEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000102681320 375688051 /nfs/dbraw/zinc/68/80/51/375688051.db2.gz QQDMRHRXVWWHMU-LLVKDONJSA-N 1 1 281.787 2.960 20 30 CFEDMO COCC#CC[N@H+]1CCC[C@H](c2nc3cc(C)ccc3[nH]2)C1 ZINC000678722055 542061543 /nfs/dbraw/zinc/06/15/43/542061543.db2.gz RVBYCACPFKEBLF-HNNXBMFYSA-N 1 1 297.402 2.701 20 30 CFEDMO COCC#CC[N@@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000678722055 542061546 /nfs/dbraw/zinc/06/15/46/542061546.db2.gz RVBYCACPFKEBLF-HNNXBMFYSA-N 1 1 297.402 2.701 20 30 CFEDMO COCC#CC[N@H+]1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 ZINC000678722055 542061550 /nfs/dbraw/zinc/06/15/50/542061550.db2.gz RVBYCACPFKEBLF-HNNXBMFYSA-N 1 1 297.402 2.701 20 30 CFEDMO N#Cc1c(F)cccc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000107829890 375811019 /nfs/dbraw/zinc/81/10/19/375811019.db2.gz PGPKNAFPEUCDNO-VXGBXAGGSA-N 1 1 259.328 2.736 20 30 CFEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C(C)C)C1CCCC1 ZINC000108365492 375815096 /nfs/dbraw/zinc/81/50/96/375815096.db2.gz ZZRHFACVJDCJEQ-AWEZNQCLSA-N 1 1 279.428 2.648 20 30 CFEDMO CCCC(N)=[NH+]OCc1coc(-c2ccccc2)n1 ZINC000105605108 375791077 /nfs/dbraw/zinc/79/10/77/375791077.db2.gz CIVVXJKFNNWLGY-UHFFFAOYSA-N 1 1 259.309 2.931 20 30 CFEDMO C=CCNC(=O)C[N@H+](C)[C@@H](c1ccccc1C)C(C)C ZINC000112357931 375912163 /nfs/dbraw/zinc/91/21/63/375912163.db2.gz URHVZTXNIAJBFO-QGZVFWFLSA-N 1 1 274.408 2.926 20 30 CFEDMO C#CC[N@@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000112342113 375909458 /nfs/dbraw/zinc/90/94/58/375909458.db2.gz YWQPPELGBOQGDE-MRXNPFEDSA-N 1 1 254.308 2.875 20 30 CFEDMO C#CC[N@H+](C)[C@H](c1ccc(F)cc1)c1cccnc1 ZINC000112342113 375909464 /nfs/dbraw/zinc/90/94/64/375909464.db2.gz YWQPPELGBOQGDE-MRXNPFEDSA-N 1 1 254.308 2.875 20 30 CFEDMO CCCO[C@@H]1CCC[N@@H+](C[C@H](C#N)CCC#N)CC1 ZINC000112560481 375933023 /nfs/dbraw/zinc/93/30/23/375933023.db2.gz XIBFBBQUFNDISF-LSDHHAIUSA-N 1 1 263.385 2.711 20 30 CFEDMO COC[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000112990288 375983596 /nfs/dbraw/zinc/98/35/96/375983596.db2.gz PLZZTSKNKPNUAO-AWEZNQCLSA-N 1 1 283.375 2.669 20 30 CFEDMO C[N@@H+](CCC1CCCCC1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115540231 376136931 /nfs/dbraw/zinc/13/69/31/376136931.db2.gz CCMSEZHGLYPOJK-KRWDZBQOSA-N 1 1 299.418 2.987 20 30 CFEDMO CCc1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C#N)c1 ZINC000116334354 376179952 /nfs/dbraw/zinc/17/99/52/376179952.db2.gz GQJZOXYTEKZVEP-UHFFFAOYSA-N 1 1 288.782 2.797 20 30 CFEDMO CC[N@@H+](CCCC(=O)OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000116369069 376182571 /nfs/dbraw/zinc/18/25/71/376182571.db2.gz DFPAQEBXYGMDRK-ZDUSSCGKSA-N 1 1 274.364 2.894 20 30 CFEDMO C=CC[C@H](C)NC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000116945613 376217551 /nfs/dbraw/zinc/21/75/51/376217551.db2.gz XKKJKQIOIIGDST-ZNMIVQPWSA-N 1 1 281.444 2.618 20 30 CFEDMO COC(=O)CC[N@H+](Cc1ccc(F)c(C#N)c1)CC(C)C ZINC000118966562 376329957 /nfs/dbraw/zinc/32/99/57/376329957.db2.gz RCKPKJSEWUOBMD-UHFFFAOYSA-N 1 1 292.354 2.718 20 30 CFEDMO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2)C1 ZINC000119587405 376440285 /nfs/dbraw/zinc/44/02/85/376440285.db2.gz KYQBXRIAYORRMX-INIZCTEOSA-N 1 1 258.365 2.805 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](n3cccn3)C2)ccc1F ZINC000119778669 376470804 /nfs/dbraw/zinc/47/08/04/376470804.db2.gz PKACHLRIOHYXNG-HNNXBMFYSA-N 1 1 284.338 2.731 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@H](n3cccn3)C2)ccc1F ZINC000119778669 376470808 /nfs/dbraw/zinc/47/08/08/376470808.db2.gz PKACHLRIOHYXNG-HNNXBMFYSA-N 1 1 284.338 2.731 20 30 CFEDMO C=CCOc1cccc(C[N@H+](C)CC(=O)NC(C)(C)C)c1 ZINC000120664166 376663762 /nfs/dbraw/zinc/66/37/62/376663762.db2.gz MVRYHOCOADYXDT-UHFFFAOYSA-N 1 1 290.407 2.598 20 30 CFEDMO C=CCOc1cccc(C[N@@H+](C)CC(=O)NC(C)(C)C)c1 ZINC000120664166 376663770 /nfs/dbraw/zinc/66/37/70/376663770.db2.gz MVRYHOCOADYXDT-UHFFFAOYSA-N 1 1 290.407 2.598 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000120674688 376665760 /nfs/dbraw/zinc/66/57/60/376665760.db2.gz OXIFHJCCQADWLS-CQSZACIVSA-N 1 1 296.374 2.670 20 30 CFEDMO CCO[C@@H]1C[C@H]([N@@H+](C)CCCCC#N)C12CCC2 ZINC000120907364 376720459 /nfs/dbraw/zinc/72/04/59/376720459.db2.gz DNRCTLIEPLJMFX-UONOGXRCSA-N 1 1 250.386 2.960 20 30 CFEDMO COc1cc(C#N)ccc1C[N@@H+]1CCS[C@H](C)C1 ZINC000120844014 376706380 /nfs/dbraw/zinc/70/63/80/376706380.db2.gz VFAFFGHFZQHWIJ-LLVKDONJSA-N 1 1 262.378 2.504 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCS[C@H](C)C1 ZINC000120844014 376706386 /nfs/dbraw/zinc/70/63/86/376706386.db2.gz VFAFFGHFZQHWIJ-LLVKDONJSA-N 1 1 262.378 2.504 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000121199516 376779815 /nfs/dbraw/zinc/77/98/15/376779815.db2.gz ASDOABKSKAKXTG-OKILXGFUSA-N 1 1 256.349 2.799 20 30 CFEDMO OC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC#Cc1cccc(Cl)c1 ZINC000121411403 376824527 /nfs/dbraw/zinc/82/45/27/376824527.db2.gz HRJWWLLRCWAATK-XYPWUTKMSA-N 1 1 275.779 2.679 20 30 CFEDMO C=CC[N@H+](C)[C@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000121420553 376827707 /nfs/dbraw/zinc/82/77/07/376827707.db2.gz YFRZJCQGPHZIEE-JISDDCRVSA-N 1 1 276.424 2.578 20 30 CFEDMO C=CC[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000121460976 376837081 /nfs/dbraw/zinc/83/70/81/376837081.db2.gz ILZIGILGNQJLLY-KGLIPLIRSA-N 1 1 272.392 2.861 20 30 CFEDMO C=CC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000121460976 376837089 /nfs/dbraw/zinc/83/70/89/376837089.db2.gz ILZIGILGNQJLLY-KGLIPLIRSA-N 1 1 272.392 2.861 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2cnc(C#N)cn2)C1 ZINC000121596272 376866117 /nfs/dbraw/zinc/86/61/17/376866117.db2.gz KQSSHUJIRYXXBQ-OKILXGFUSA-N 1 1 287.411 2.518 20 30 CFEDMO N#Cc1ccccc1OCC[N@H+]1CCC2(CCC2)C1 ZINC000123192136 376949185 /nfs/dbraw/zinc/94/91/85/376949185.db2.gz KXEJRMZKTPUKFG-UHFFFAOYSA-N 1 1 256.349 2.813 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+](C)CCCc1ccc(OC)cc1 ZINC000123658872 376965390 /nfs/dbraw/zinc/96/53/90/376965390.db2.gz ZOKGCJQZCVAWPO-MRXNPFEDSA-N 1 1 277.408 2.887 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)C[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000125308887 377140039 /nfs/dbraw/zinc/14/00/39/377140039.db2.gz SELHGGJCAPIKQT-FMKPAKJESA-N 1 1 279.428 2.551 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)Cc1cccc(F)c1 ZINC000126058339 377209820 /nfs/dbraw/zinc/20/98/20/377209820.db2.gz JNJSOMNIAYRJHB-CQSZACIVSA-N 1 1 290.382 2.847 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)Cc1cccc(F)c1 ZINC000126058339 377209829 /nfs/dbraw/zinc/20/98/29/377209829.db2.gz JNJSOMNIAYRJHB-CQSZACIVSA-N 1 1 290.382 2.847 20 30 CFEDMO CC[N@@H+](C)Cc1ccc(OC)c(OCCCC#N)c1 ZINC000126312789 377222084 /nfs/dbraw/zinc/22/20/84/377222084.db2.gz FXGWUBUICFPTCK-UHFFFAOYSA-N 1 1 262.353 2.829 20 30 CFEDMO CCN(CC)[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000127415949 377279799 /nfs/dbraw/zinc/27/97/99/377279799.db2.gz SNIZODJTDGCTED-CQSZACIVSA-N 1 1 251.418 2.732 20 30 CFEDMO CCN(CC)[C@@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000127415949 377279806 /nfs/dbraw/zinc/27/98/06/377279806.db2.gz SNIZODJTDGCTED-CQSZACIVSA-N 1 1 251.418 2.732 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+](C)Cc1ccccc1OCC ZINC000129026255 377375670 /nfs/dbraw/zinc/37/56/70/377375670.db2.gz ZUOXIXATZHQENQ-OAHLLOKOSA-N 1 1 263.381 2.844 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000129481923 377434396 /nfs/dbraw/zinc/43/43/96/377434396.db2.gz JHNBWYZJOABUKH-MRXNPFEDSA-N 1 1 261.365 2.598 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000679312653 542161911 /nfs/dbraw/zinc/16/19/11/542161911.db2.gz ZZIDZDWSBVOHOP-DZGCQCFKSA-N 1 1 257.381 2.766 20 30 CFEDMO Cc1ccnc(NCCC[N@@H+]2CCCC[C@H]2C)c1C#N ZINC000129318060 377411144 /nfs/dbraw/zinc/41/11/44/377411144.db2.gz RDADHSHNKGKLRU-CQSZACIVSA-N 1 1 272.396 2.938 20 30 CFEDMO CCCc1[nH+]ccn1Cc1cc(C#N)ccc1OC ZINC000130501208 377567898 /nfs/dbraw/zinc/56/78/98/377567898.db2.gz GHLYGGVCSGOYLT-UHFFFAOYSA-N 1 1 255.321 2.764 20 30 CFEDMO C#CCOc1ccc(C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000130578111 377580412 /nfs/dbraw/zinc/58/04/12/377580412.db2.gz OZRHJORORGQBLF-AWEZNQCLSA-N 1 1 261.390 2.636 20 30 CFEDMO C=CCOc1cccc(C[NH+]2CCC(c3nc[nH]n3)CC2)c1 ZINC000130709384 377598616 /nfs/dbraw/zinc/59/86/16/377598616.db2.gz ZPHDWZVILQQTPQ-UHFFFAOYSA-N 1 1 298.390 2.749 20 30 CFEDMO C=CCOCCNC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000679578827 542211532 /nfs/dbraw/zinc/21/15/32/542211532.db2.gz ZPPCQQXHBZQVAY-WBVHZDCISA-N 1 1 280.456 2.822 20 30 CFEDMO CC[N@@H+](CCC(=O)N(C)CCC#N)Cc1ccccc1C ZINC000131026711 377646411 /nfs/dbraw/zinc/64/64/11/377646411.db2.gz GCAOZQQHNDRLSN-UHFFFAOYSA-N 1 1 287.407 2.579 20 30 CFEDMO Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)N(C)CCC#N)c1 ZINC000131237353 377682751 /nfs/dbraw/zinc/68/27/51/377682751.db2.gz NTSYURQXDJHRPR-KRWDZBQOSA-N 1 1 299.418 2.894 20 30 CFEDMO CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000131610188 377735536 /nfs/dbraw/zinc/73/55/36/377735536.db2.gz PHCCNBFQBVXQFU-KRWDZBQOSA-N 1 1 289.423 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RNCWCMNXNJSDBK-STQMWFEESA-N 1 1 271.364 2.617 20 30 CFEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)N(CC)CCC#N ZINC000135325227 378116603 /nfs/dbraw/zinc/11/66/03/378116603.db2.gz ZVBKADSOZJKTSG-GJZGRUSLSA-N 1 1 279.428 2.649 20 30 CFEDMO CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)N(CC)CCC#N ZINC000135325247 378117654 /nfs/dbraw/zinc/11/76/54/378117654.db2.gz ZVBKADSOZJKTSG-HUUCEWRRSA-N 1 1 279.428 2.649 20 30 CFEDMO N#CCCC[N@@H+]1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000135335457 378118907 /nfs/dbraw/zinc/11/89/07/378118907.db2.gz PTVCGBFIMISAIL-CYBMUJFWSA-N 1 1 279.771 2.882 20 30 CFEDMO CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)N(CC)C[C@@H](C)C#N ZINC000135335670 378120922 /nfs/dbraw/zinc/12/09/22/378120922.db2.gz MJJMNYNRZHQNTK-JYJNAYRXSA-N 1 1 293.455 2.895 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000135135812 378088043 /nfs/dbraw/zinc/08/80/43/378088043.db2.gz WWAHNFKMSWEBKF-KRWDZBQOSA-N 1 1 289.423 2.804 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1ccc2c(c1)OCCO2 ZINC000135130125 378088534 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268.360 2.702 20 30 CFEDMO N#Cc1ccc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000293934013 382342205 /nfs/dbraw/zinc/34/22/05/382342205.db2.gz HQXKIPZNVAJGNX-SJORKVTESA-N 1 1 268.360 2.702 20 30 CFEDMO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000352457267 382342846 /nfs/dbraw/zinc/34/28/46/382342846.db2.gz VNZVPKMKRBRGRU-NVXWUHKLSA-N 1 1 296.455 2.596 20 30 CFEDMO C[C@@H]1CCCC[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000187907859 382292995 /nfs/dbraw/zinc/29/29/95/382292995.db2.gz IDXJNNDPKUMMJA-CJNGLKHVSA-N 1 1 258.365 2.714 20 30 CFEDMO CCn1nccc1C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000352369718 382293904 /nfs/dbraw/zinc/29/39/04/382293904.db2.gz SBIUMTRAMOYEOW-ZDUSSCGKSA-N 1 1 268.364 2.968 20 30 CFEDMO CCn1nccc1C[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000352369718 382293908 /nfs/dbraw/zinc/29/39/08/382293908.db2.gz SBIUMTRAMOYEOW-ZDUSSCGKSA-N 1 1 268.364 2.968 20 30 CFEDMO C=C1CCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000345297533 382296359 /nfs/dbraw/zinc/29/63/59/382296359.db2.gz 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CC(C)(O)[C@H]1CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000305725412 382443002 /nfs/dbraw/zinc/44/30/02/382443002.db2.gz JFRUKVWGCHLVBL-OAHLLOKOSA-N 1 1 277.795 2.927 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000305741940 382444535 /nfs/dbraw/zinc/44/45/35/382444535.db2.gz NRFASGWTUZPKFC-WBVHZDCISA-N 1 1 293.382 2.835 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCO[C@H](c2ccc(F)c(C)c2)C1 ZINC000305741940 382444540 /nfs/dbraw/zinc/44/45/40/382444540.db2.gz NRFASGWTUZPKFC-WBVHZDCISA-N 1 1 293.382 2.835 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000305747092 382445496 /nfs/dbraw/zinc/44/54/96/382445496.db2.gz RIUPHYUEPYMZIE-GOEBONIOSA-N 1 1 275.392 2.844 20 30 CFEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2nccs2)cc1 ZINC000378145594 382407765 /nfs/dbraw/zinc/40/77/65/382407765.db2.gz SYHGCYZOWJTYOU-CABCVRRESA-N 1 1 299.399 2.885 20 30 CFEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H]1CC[C@@H](SCC)C1 ZINC000305064229 382421665 /nfs/dbraw/zinc/42/16/65/382421665.db2.gz HLKBLCDOKISKNP-HZSPNIEDSA-N 1 1 257.443 2.920 20 30 CFEDMO N#Cc1ccc(OCCC[N@@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000378436650 382459194 /nfs/dbraw/zinc/45/91/94/382459194.db2.gz QYGQKZHOWBNHAW-INIZCTEOSA-N 1 1 296.374 2.887 20 30 CFEDMO N#Cc1ccc(OCCC[N@H+]2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000378436650 382459200 /nfs/dbraw/zinc/45/92/00/382459200.db2.gz QYGQKZHOWBNHAW-INIZCTEOSA-N 1 1 296.374 2.887 20 30 CFEDMO C=CCOCC[N@@H+](C)CCCOCc1ccccc1 ZINC000294230125 382469301 /nfs/dbraw/zinc/46/93/01/382469301.db2.gz SSJDWYMDNCIGMM-UHFFFAOYSA-N 1 1 263.381 2.728 20 30 CFEDMO C=C(C)C[N@H+](CCC(C)(C)OC)Cc1ccc(CO)o1 ZINC000352795493 382472803 /nfs/dbraw/zinc/47/28/03/382472803.db2.gz DHRJUINFKWAJND-UHFFFAOYSA-N 1 1 281.396 2.965 20 30 CFEDMO CC(C)(C[NH+]1CCCC1)NCc1cc(C#N)cs1 ZINC000308616187 382479232 /nfs/dbraw/zinc/47/92/32/382479232.db2.gz UXYXCZVJJSCCDQ-UHFFFAOYSA-N 1 1 263.410 2.584 20 30 CFEDMO C=C(C)C[N@@H+](Cc1cnn(C(C)C)c1)Cc1ccnc(N)c1 ZINC000352915458 382483042 /nfs/dbraw/zinc/48/30/42/382483042.db2.gz OSFRYPXASQZQFB-UHFFFAOYSA-N 1 1 299.422 2.850 20 30 CFEDMO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)Cc1ccnc(N)c1 ZINC000352915458 382483050 /nfs/dbraw/zinc/48/30/50/382483050.db2.gz OSFRYPXASQZQFB-UHFFFAOYSA-N 1 1 299.422 2.850 20 30 CFEDMO C=CCOc1ccccc1CN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000352929302 382483562 /nfs/dbraw/zinc/48/35/62/382483562.db2.gz GCCVSMDGJXDUDJ-WBVHZDCISA-N 1 1 286.419 2.777 20 30 CFEDMO C=CCOc1ccccc1C[N@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000352929302 382483569 /nfs/dbraw/zinc/48/35/69/382483569.db2.gz GCCVSMDGJXDUDJ-WBVHZDCISA-N 1 1 286.419 2.777 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000352929302 382483574 /nfs/dbraw/zinc/48/35/74/382483574.db2.gz GCCVSMDGJXDUDJ-WBVHZDCISA-N 1 1 286.419 2.777 20 30 CFEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H]1C(C)C ZINC000353052196 382490201 /nfs/dbraw/zinc/49/02/01/382490201.db2.gz OUYAZNPSLLMCHH-DLBZAZTESA-N 1 1 289.419 2.885 20 30 CFEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]1C(C)C ZINC000353052197 382490853 /nfs/dbraw/zinc/49/08/53/382490853.db2.gz OUYAZNPSLLMCHH-IAGOWNOFSA-N 1 1 289.419 2.885 20 30 CFEDMO CCc1[nH+]ccn1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000378618309 382491740 /nfs/dbraw/zinc/49/17/40/382491740.db2.gz CGEFPLCOXQWZCM-UHFFFAOYSA-N 1 1 291.358 2.766 20 30 CFEDMO Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)NC2(C#N)CCC2)cc1 ZINC000346815766 382526831 /nfs/dbraw/zinc/52/68/31/382526831.db2.gz CNJNIDPCDJGQFF-CQSZACIVSA-N 1 1 285.391 2.550 20 30 CFEDMO C[C@@H]1C[C@H](CO)C[N@H+](CC#Cc2ccccc2Cl)C1 ZINC000420928558 382498855 /nfs/dbraw/zinc/49/88/55/382498855.db2.gz AQSJNAWVXPZCTK-KGLIPLIRSA-N 1 1 277.795 2.642 20 30 CFEDMO C[C@@H]1C[C@H](CO)C[N@@H+](CC#Cc2ccccc2Cl)C1 ZINC000420928558 382498862 /nfs/dbraw/zinc/49/88/62/382498862.db2.gz AQSJNAWVXPZCTK-KGLIPLIRSA-N 1 1 277.795 2.642 20 30 CFEDMO C=CCCC[N@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000420917138 382499131 /nfs/dbraw/zinc/49/91/31/382499131.db2.gz QQIBZSWXSPXIDJ-UHFFFAOYSA-N 1 1 288.435 2.917 20 30 CFEDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccccc2C(C)(C)C#N)C1 ZINC000420940457 382500831 /nfs/dbraw/zinc/50/08/31/382500831.db2.gz MSVNDVIITXERGC-HUUCEWRRSA-N 1 1 286.419 2.938 20 30 CFEDMO CC[N@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1 ZINC000353163176 382506561 /nfs/dbraw/zinc/50/65/61/382506561.db2.gz BPWBZQIQURPMCH-UHFFFAOYSA-N 1 1 299.418 2.783 20 30 CFEDMO CC[N@@H+](CC(=O)N1CCCCCC1)Cc1ccc(C#N)cc1 ZINC000353163176 382506566 /nfs/dbraw/zinc/50/65/66/382506566.db2.gz BPWBZQIQURPMCH-UHFFFAOYSA-N 1 1 299.418 2.783 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421018450 382507184 /nfs/dbraw/zinc/50/71/84/382507184.db2.gz MQCXIDUVCYTMDU-MGPQQGTHSA-N 1 1 280.412 2.978 20 30 CFEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000421019497 382507528 /nfs/dbraw/zinc/50/75/28/382507528.db2.gz MJAQJEAIHRVDIU-OAHLLOKOSA-N 1 1 272.392 2.557 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421018448 382507842 /nfs/dbraw/zinc/50/78/42/382507842.db2.gz MQCXIDUVCYTMDU-MCIONIFRSA-N 1 1 280.412 2.978 20 30 CFEDMO C=C(C)C[N@@H+]1CC(=O)Nc2cccc3c2[C@@H]1CCC3 ZINC000366420227 382507915 /nfs/dbraw/zinc/50/79/15/382507915.db2.gz CMRAWNMCQKZBPE-AWEZNQCLSA-N 1 1 256.349 2.894 20 30 CFEDMO C=C(C)C[N@H+]1CC(=O)Nc2cccc3c2[C@@H]1CCC3 ZINC000366420227 382507920 /nfs/dbraw/zinc/50/79/20/382507920.db2.gz CMRAWNMCQKZBPE-AWEZNQCLSA-N 1 1 256.349 2.894 20 30 CFEDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000421383681 382515239 /nfs/dbraw/zinc/51/52/39/382515239.db2.gz ZZDJVHWDJGHIQA-GDBMZVCRSA-N 1 1 288.391 2.714 20 30 CFEDMO C[C@@H]([N@@H+](C)Cc1ccc(C#N)cc1Cl)C(C)(C)O ZINC000382972392 382538757 /nfs/dbraw/zinc/53/87/57/382538757.db2.gz RBBYOYWCLKEDOT-SNVBAGLBSA-N 1 1 266.772 2.803 20 30 CFEDMO CCC[N@H+]1CCCN(CCCC2(C#N)CCOCC2)CC1 ZINC000366897325 382553618 /nfs/dbraw/zinc/55/36/18/382553618.db2.gz QIXMFNAJSZFYSJ-UHFFFAOYSA-N 1 1 293.455 2.505 20 30 CFEDMO CCCN1CCC[N@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000366897325 382553623 /nfs/dbraw/zinc/55/36/23/382553623.db2.gz QIXMFNAJSZFYSJ-UHFFFAOYSA-N 1 1 293.455 2.505 20 30 CFEDMO CCCN1CCC[N@@H+](CCCC2(C#N)CCOCC2)CC1 ZINC000366897325 382553630 /nfs/dbraw/zinc/55/36/30/382553630.db2.gz QIXMFNAJSZFYSJ-UHFFFAOYSA-N 1 1 293.455 2.505 20 30 CFEDMO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)Cc1cccc(Cl)c1 ZINC000346888679 382560666 /nfs/dbraw/zinc/56/06/66/382560666.db2.gz XANHEQDHGSEDGT-SWLSCSKDSA-N 1 1 280.799 2.725 20 30 CFEDMO CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)Cc1cccc(Cl)c1 ZINC000346888679 382560669 /nfs/dbraw/zinc/56/06/69/382560669.db2.gz XANHEQDHGSEDGT-SWLSCSKDSA-N 1 1 280.799 2.725 20 30 CFEDMO COc1ccncc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000353609670 382577058 /nfs/dbraw/zinc/57/70/58/382577058.db2.gz NWCVJDZUTYXUPS-UHFFFAOYSA-N 1 1 267.332 2.560 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2nc(C)nc2C)cc1 ZINC000367298517 382564433 /nfs/dbraw/zinc/56/44/33/382564433.db2.gz BXJBXFXDOMZJSI-GOSISDBHSA-N 1 1 294.402 2.541 20 30 CFEDMO C=CCOc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000295091511 382574053 /nfs/dbraw/zinc/57/40/53/382574053.db2.gz TWYSLZHVBPQRDN-ALOPSCKCSA-N 1 1 286.419 2.966 20 30 CFEDMO COc1cc(C[NH2+][C@@H]2COc3ccc(F)cc32)ccc1C#N ZINC000353633352 382587752 /nfs/dbraw/zinc/58/77/52/382587752.db2.gz WUVFMTDUCPOMSF-OAHLLOKOSA-N 1 1 298.317 2.929 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000353669802 382600956 /nfs/dbraw/zinc/60/09/56/382600956.db2.gz FIWVODCLCQBNHH-IYBDPMFKSA-N 1 1 259.349 2.615 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000353669802 382600957 /nfs/dbraw/zinc/60/09/57/382600957.db2.gz FIWVODCLCQBNHH-IYBDPMFKSA-N 1 1 259.349 2.615 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000353744018 382622538 /nfs/dbraw/zinc/62/25/38/382622538.db2.gz DITGJNJIVUIDOG-PBHICJAKSA-N 1 1 271.408 2.863 20 30 CFEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000353744018 382622550 /nfs/dbraw/zinc/62/25/50/382622550.db2.gz DITGJNJIVUIDOG-PBHICJAKSA-N 1 1 271.408 2.863 20 30 CFEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(C#N)cc2)C[C@H]1C ZINC000353744018 382622552 /nfs/dbraw/zinc/62/25/52/382622552.db2.gz DITGJNJIVUIDOG-PBHICJAKSA-N 1 1 271.408 2.863 20 30 CFEDMO CO[C@@H](C)C[N@@H+](Cc1ccc(C#N)cc1F)C(C)C ZINC000353766770 382628505 /nfs/dbraw/zinc/62/85/05/382628505.db2.gz IEVQCPXSQDHDGH-LBPRGKRZSA-N 1 1 264.344 2.943 20 30 CFEDMO CC[C@](C)(C#N)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000367612627 382578188 /nfs/dbraw/zinc/57/81/88/382578188.db2.gz DPVZNCJFCTZUFW-FUHWJXTLSA-N 1 1 299.418 2.659 20 30 CFEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1cncc(C)c1 ZINC000189819079 382641794 /nfs/dbraw/zinc/64/17/94/382641794.db2.gz ROIFZXLDQYXFLG-UHFFFAOYSA-N 1 1 295.386 2.910 20 30 CFEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1cncc(C)c1 ZINC000189819079 382641795 /nfs/dbraw/zinc/64/17/95/382641795.db2.gz ROIFZXLDQYXFLG-UHFFFAOYSA-N 1 1 295.386 2.910 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000189866753 382643291 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Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000191185469 382694935 /nfs/dbraw/zinc/69/49/35/382694935.db2.gz UTHNOKMTHPHWCH-INIZCTEOSA-N 1 1 268.364 2.572 20 30 CFEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H](O)C1CCCCC1 ZINC000191297228 382697926 /nfs/dbraw/zinc/69/79/26/382697926.db2.gz GAYYIZZTBKLAQJ-QGZVFWFLSA-N 1 1 272.392 2.931 20 30 CFEDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2cc(C#N)n(C)c2)C12CCC2 ZINC000191446928 382700477 /nfs/dbraw/zinc/70/04/77/382700477.db2.gz OATHNKFSMXKQES-HOTGVXAUSA-N 1 1 287.407 2.676 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)Cc1ncccn1 ZINC000191968148 382703744 /nfs/dbraw/zinc/70/37/44/382703744.db2.gz XGHFGACBCCRFNF-UHFFFAOYSA-N 1 1 253.349 2.707 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)Cc1ncccn1 ZINC000191968148 382703745 /nfs/dbraw/zinc/70/37/45/382703745.db2.gz XGHFGACBCCRFNF-UHFFFAOYSA-N 1 1 253.349 2.707 20 30 CFEDMO COc1cc(C[N@H+](C)CC#Cc2ccccc2)ccc1O ZINC000191996522 382704033 /nfs/dbraw/zinc/70/40/33/382704033.db2.gz LVJJCZRJFKPGOQ-UHFFFAOYSA-N 1 1 281.355 2.884 20 30 CFEDMO COc1cc(C[N@@H+](C)CC#Cc2ccccc2)ccc1O ZINC000191996522 382704034 /nfs/dbraw/zinc/70/40/34/382704034.db2.gz LVJJCZRJFKPGOQ-UHFFFAOYSA-N 1 1 281.355 2.884 20 30 CFEDMO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1ccc(OCC#N)cc1 ZINC000193506835 382720602 /nfs/dbraw/zinc/72/06/02/382720602.db2.gz ZACQAOCQFOWQPL-LSDHHAIUSA-N 1 1 299.418 2.724 20 30 CFEDMO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC000336827263 382724290 /nfs/dbraw/zinc/72/42/90/382724290.db2.gz UVAUYNLMVJJANK-WFASDCNBSA-N 1 1 274.364 2.566 20 30 CFEDMO Cc1cnn(CC[N@@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000336867700 382736818 /nfs/dbraw/zinc/73/68/18/382736818.db2.gz SSZYWIOBGBEIDO-ZWKOTPCHSA-N 1 1 294.402 2.963 20 30 CFEDMO Cc1cnn(CC[N@H+]2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000336867700 382736820 /nfs/dbraw/zinc/73/68/20/382736820.db2.gz SSZYWIOBGBEIDO-ZWKOTPCHSA-N 1 1 294.402 2.963 20 30 CFEDMO Cc1cnn(CC[N@@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000336845591 382733688 /nfs/dbraw/zinc/73/36/88/382733688.db2.gz BNXYEDDZYKXDBP-UHFFFAOYSA-N 1 1 282.391 2.974 20 30 CFEDMO C=CC[N@H+](CC#Cc1cccc(Cl)c1)CCOC ZINC000191082831 382690597 /nfs/dbraw/zinc/69/05/97/382690597.db2.gz LNBNINLDSFYCHW-UHFFFAOYSA-N 1 1 263.768 2.826 20 30 CFEDMO C=CC[N@@H+](CC#Cc1cccc(Cl)c1)CCOC ZINC000191082831 382690599 /nfs/dbraw/zinc/69/05/99/382690599.db2.gz LNBNINLDSFYCHW-UHFFFAOYSA-N 1 1 263.768 2.826 20 30 CFEDMO C=CC[N@H+](CCOC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000191095859 382690939 /nfs/dbraw/zinc/69/09/39/382690939.db2.gz OPXNLWREQCGXDE-GFCCVEGCSA-N 1 1 264.325 2.790 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](Cc2ccccc2C)C2CC2)C1=O ZINC000337127480 382764562 /nfs/dbraw/zinc/76/45/62/382764562.db2.gz GWUKSWUMMKERRW-KRWDZBQOSA-N 1 1 284.403 2.746 20 30 CFEDMO CC1(C)CCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337135717 382765920 /nfs/dbraw/zinc/76/59/20/382765920.db2.gz MNSQHXNQQDMQRL-UHFFFAOYSA-N 1 1 250.386 2.961 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2C2CCCCC2)C1=O ZINC000337136600 382766506 /nfs/dbraw/zinc/76/65/06/382766506.db2.gz NIXOKNKWBUZTBG-JKSUJKDBSA-N 1 1 276.424 2.818 20 30 CFEDMO CC[C@H]1CO[C@H](C)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337143855 382767325 /nfs/dbraw/zinc/76/73/25/382767325.db2.gz VUIXHBALIUCVDL-CABCVRRESA-N 1 1 280.412 2.586 20 30 CFEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1CCCC1(C#N)CCOCC1 ZINC000337171703 382771316 /nfs/dbraw/zinc/77/13/16/382771316.db2.gz FZOQIATYHCTLIC-HZPDHXFCSA-N 1 1 294.439 2.712 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)c2sc(C)nc2C)C1=O ZINC000337184721 382773185 /nfs/dbraw/zinc/77/31/85/382773185.db2.gz OAOPIQQEIIRJOR-DGCLKSJQSA-N 1 1 293.436 2.540 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+](C)[C@H](C)c2sc(C)nc2C)C1=O ZINC000337184721 382773186 /nfs/dbraw/zinc/77/31/86/382773186.db2.gz OAOPIQQEIIRJOR-DGCLKSJQSA-N 1 1 293.436 2.540 20 30 CFEDMO CC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1 ZINC000216392580 382783125 /nfs/dbraw/zinc/78/31/25/382783125.db2.gz JSOGNTPDDQVKKJ-HZPDHXFCSA-N 1 1 288.391 2.562 20 30 CFEDMO C[C@@H](CO)[N@@H+](CCCC1(C#N)CCOCC1)CC1CCC1 ZINC000337258364 382787703 /nfs/dbraw/zinc/78/77/03/382787703.db2.gz UXYCVZNUSDNMIA-HNNXBMFYSA-N 1 1 294.439 2.570 20 30 CFEDMO C=CCN1CC[C@H]([N@H+]2CC[C@](C)(c3ccc(C)cc3)C2)C1=O ZINC000337259699 382788319 /nfs/dbraw/zinc/78/83/19/382788319.db2.gz VOIXQGCQLCZTHH-HKUYNNGSSA-N 1 1 298.430 2.745 20 30 CFEDMO CC[C@H](C)[N@@H+](C)CCNc1nc(C)cc(C)c1C#N ZINC000218076098 382788913 /nfs/dbraw/zinc/78/89/13/382788913.db2.gz MYMCOXIFRPLVBI-ZDUSSCGKSA-N 1 1 260.385 2.712 20 30 CFEDMO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc(C#N)c(C)c1 ZINC000337266966 382789673 /nfs/dbraw/zinc/78/96/73/382789673.db2.gz ZQSFUQKCCOYBCQ-ZDUSSCGKSA-N 1 1 274.364 2.640 20 30 CFEDMO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc(C#N)c(C)c1 ZINC000337266966 382789674 /nfs/dbraw/zinc/78/96/74/382789674.db2.gz ZQSFUQKCCOYBCQ-ZDUSSCGKSA-N 1 1 274.364 2.640 20 30 CFEDMO NC(=[NH2+])Nc1nc(-c2csc3ccccc23)cs1 ZINC000194362647 382741882 /nfs/dbraw/zinc/74/18/82/382741882.db2.gz XXSMUWHTFSUKPJ-UHFFFAOYSA-N 1 1 274.374 2.930 20 30 CFEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000337279946 382793012 /nfs/dbraw/zinc/79/30/12/382793012.db2.gz IILIHLYPEGYBOF-ARFHVFGLSA-N 1 1 267.413 2.595 20 30 CFEDMO C=CCCC[N@H+]1CCNC[C@H]1c1ccccc1OC ZINC000337079083 382758792 /nfs/dbraw/zinc/75/87/92/382758792.db2.gz TZWTVOCEXYUFMN-HNNXBMFYSA-N 1 1 260.381 2.608 20 30 CFEDMO C=CCCC[N@@H+]1CCNC[C@H]1c1ccccc1OC ZINC000337079083 382758795 /nfs/dbraw/zinc/75/87/95/382758795.db2.gz TZWTVOCEXYUFMN-HNNXBMFYSA-N 1 1 260.381 2.608 20 30 CFEDMO C=C(C)C[N@H+](CCN1CCO[C@H](C)C1)Cc1ccccc1 ZINC000337471680 382826265 /nfs/dbraw/zinc/82/62/65/382826265.db2.gz PTEATCAFBVEJDE-QGZVFWFLSA-N 1 1 288.435 2.785 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000493914586 382906479 /nfs/dbraw/zinc/90/64/79/382906479.db2.gz NHZRRCUJARHNEN-CHWSQXEVSA-N 1 1 268.401 2.798 20 30 CFEDMO C=C(CC)C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000494380782 382912505 /nfs/dbraw/zinc/91/25/05/382912505.db2.gz 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/nfs/dbraw/zinc/15/98/70/383159870.db2.gz SFKLFTLUWOURHT-AWEZNQCLSA-N 1 1 273.442 2.632 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@](C)(C#N)C1CCCCC1 ZINC000562580843 383160239 /nfs/dbraw/zinc/16/02/39/383160239.db2.gz WYSMCZUGXOYPSK-VBQJREDUSA-N 1 1 291.439 2.838 20 30 CFEDMO C=CCCCC[C@H](C)[NH2+]C[C@H](C)N1CCN(CC)CC1 ZINC000449074009 383161457 /nfs/dbraw/zinc/16/14/57/383161457.db2.gz AXZVMSHZWYULBS-IRXDYDNUSA-N 1 1 281.488 2.737 20 30 CFEDMO C=CCCCC[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000562697704 383162107 /nfs/dbraw/zinc/16/21/07/383162107.db2.gz XCSCDCTUXUUWTH-NSHDSACASA-N 1 1 253.346 2.565 20 30 CFEDMO C=CCCCC[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000562697704 383162110 /nfs/dbraw/zinc/16/21/10/383162110.db2.gz XCSCDCTUXUUWTH-NSHDSACASA-N 1 1 253.346 2.565 20 30 CFEDMO N#CC1(C[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000516233361 383163318 /nfs/dbraw/zinc/16/33/18/383163318.db2.gz SOKGANOUVDYDAF-UHFFFAOYSA-N 1 1 270.361 2.598 20 30 CFEDMO C[C@@]1(CO)CCC[N@H+]1Cc1ccc(C#N)cc1C(F)(F)F ZINC000516357680 383164060 /nfs/dbraw/zinc/16/40/60/383164060.db2.gz FGHGASCDGRNOSI-AWEZNQCLSA-N 1 1 298.308 2.924 20 30 CFEDMO C=CCn1cccc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000563764455 383168004 /nfs/dbraw/zinc/16/80/04/383168004.db2.gz MXBGUGRDQQUXCA-UHFFFAOYSA-N 1 1 289.423 2.621 20 30 CFEDMO N#CC1(NC(=O)C[N@@H+](CC2CC2)C2CCC2)CCCCC1 ZINC000567323827 383262101 /nfs/dbraw/zinc/26/21/01/383262101.db2.gz HDWFLUOWDAKRFW-UHFFFAOYSA-N 1 1 289.423 2.594 20 30 CFEDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000449396099 383263104 /nfs/dbraw/zinc/26/31/04/383263104.db2.gz RJVWJQLOOUHZBD-INIZCTEOSA-N 1 1 258.365 2.725 20 30 CFEDMO C=CCOCC[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000339656450 383276201 /nfs/dbraw/zinc/27/62/01/383276201.db2.gz AYFRZBXEPUXXKN-HNNXBMFYSA-N 1 1 281.783 2.996 20 30 CFEDMO CC#CCCCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248633831 383276399 /nfs/dbraw/zinc/27/63/99/383276399.db2.gz SJZXWRJOGLKELZ-AEFFLSMTSA-N 1 1 298.430 2.817 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000248180819 383218588 /nfs/dbraw/zinc/21/85/88/383218588.db2.gz WKBJAWMENWDXTI-GOEBONIOSA-N 1 1 260.381 2.854 20 30 CFEDMO C[C@H]1C[NH+](CCSc2ccccc2C#N)C[C@H](C)O1 ZINC000519549440 383223899 /nfs/dbraw/zinc/22/38/99/383223899.db2.gz KXHCIBVCCBBSKW-STQMWFEESA-N 1 1 276.405 2.760 20 30 CFEDMO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000424670357 383226395 /nfs/dbraw/zinc/22/63/95/383226395.db2.gz VRSWHAVZULHTNW-ZDUSSCGKSA-N 1 1 252.402 2.579 20 30 CFEDMO C=CCCCCCNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000519614991 383230856 /nfs/dbraw/zinc/23/08/56/383230856.db2.gz PJNWRHNLNKCVFL-UKRRQHHQSA-N 1 1 279.428 2.515 20 30 CFEDMO C[C@H](C#N)C[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000567005490 383232409 /nfs/dbraw/zinc/23/24/09/383232409.db2.gz GRFWCMSKTYBTCR-SECBINFHSA-N 1 1 267.254 2.826 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc(C#N)n1 ZINC000248388597 383232439 /nfs/dbraw/zinc/23/24/39/383232439.db2.gz FHJCYPZRMLNGCE-WMLDXEAASA-N 1 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C[C@H]1C[N@H+](Cc2c(C#N)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC000459372589 383286694 /nfs/dbraw/zinc/28/66/94/383286694.db2.gz LJXYDJRBGOESSM-RYUDHWBXSA-N 1 1 273.336 2.944 20 30 CFEDMO N#Cc1cccc([N+](=O)[O-])c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000459340788 383286704 /nfs/dbraw/zinc/28/67/04/383286704.db2.gz JBQMTQQLBXIPSC-BETUJISGSA-N 1 1 271.320 2.698 20 30 CFEDMO C=CCCCCC[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000248744348 383287498 /nfs/dbraw/zinc/28/74/98/383287498.db2.gz SETJKDXVNCVRFG-CABCVRRESA-N 1 1 253.386 2.613 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000339709117 383294450 /nfs/dbraw/zinc/29/44/50/383294450.db2.gz BGNMVAGSSXAQJJ-QLFBSQMISA-N 1 1 291.439 2.505 20 30 CFEDMO C#CCCCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000248860576 383299555 /nfs/dbraw/zinc/29/95/55/383299555.db2.gz XGVSAQHTLSJRRR-IAGOWNOFSA-N 1 1 290.451 2.903 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)c2ncc3c(c2C#N)CCC3)[C@H](C)C1 ZINC000425241044 383347459 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CC[C@H]1C[N@@H+](C)CCN1CC#Cc1ccc(Cl)cc1 ZINC000568587880 383415855 /nfs/dbraw/zinc/41/58/55/383415855.db2.gz UUQGJAZVUAWCHP-INIZCTEOSA-N 1 1 276.811 2.718 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1Cc1ccc([S@](C)=O)cc1 ZINC000426570239 383405897 /nfs/dbraw/zinc/40/58/97/383405897.db2.gz JIXPHBDLAGXDOQ-KDOFPFPSSA-N 1 1 263.406 2.965 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc([S@](C)=O)cc1 ZINC000426570239 383405900 /nfs/dbraw/zinc/40/59/00/383405900.db2.gz JIXPHBDLAGXDOQ-KDOFPFPSSA-N 1 1 263.406 2.965 20 30 CFEDMO CCO[C@@H]1C[C@@H]([N@@H+](C)CC2(C#N)CCC2)C1(C)C ZINC000450431064 383407683 /nfs/dbraw/zinc/40/76/83/383407683.db2.gz XKNPICJNYDRVNV-CHWSQXEVSA-N 1 1 250.386 2.816 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000467298037 383352136 /nfs/dbraw/zinc/35/21/36/383352136.db2.gz STPQOSPSFFPASM-AWEZNQCLSA-N 1 1 274.408 2.934 20 30 CFEDMO C=C[C@@H]1OCC[C@H]1NC1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449524202 383353332 /nfs/dbraw/zinc/35/33/32/383353332.db2.gz 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PUNHBKAVCXLOLA-UHFFFAOYSA-N 1 1 250.342 2.730 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000491251894 394046693 /nfs/dbraw/zinc/04/66/93/394046693.db2.gz CWZNSQGLDGEZIW-JTQLQIEISA-N 1 1 265.740 2.580 20 30 CFEDMO C#CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000491201908 394046913 /nfs/dbraw/zinc/04/69/13/394046913.db2.gz KVWDKWLXMTXXGO-UHFFFAOYSA-N 1 1 272.226 2.679 20 30 CFEDMO C#CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000491201908 394046915 /nfs/dbraw/zinc/04/69/15/394046915.db2.gz KVWDKWLXMTXXGO-UHFFFAOYSA-N 1 1 272.226 2.679 20 30 CFEDMO CC[N@H+](CC(=O)Nc1oc(C)c(C)c1C#N)CC(C)C ZINC000127464916 394051221 /nfs/dbraw/zinc/05/12/21/394051221.db2.gz BMPCIOOUNRVJQL-UHFFFAOYSA-N 1 1 277.368 2.685 20 30 CFEDMO C#CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000491483623 394052193 /nfs/dbraw/zinc/05/21/93/394052193.db2.gz CVFQFOFXYJOMPG-UHFFFAOYSA-N 1 1 263.344 2.532 20 30 CFEDMO C#CC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccccc1 ZINC000491483623 394052196 /nfs/dbraw/zinc/05/21/96/394052196.db2.gz CVFQFOFXYJOMPG-UHFFFAOYSA-N 1 1 263.344 2.532 20 30 CFEDMO Cc1[nH+]ccn1CCCSCc1nc(C#N)cs1 ZINC000419620101 394059579 /nfs/dbraw/zinc/05/95/79/394059579.db2.gz DPRIISWBKXAILH-UHFFFAOYSA-N 1 1 278.406 2.843 20 30 CFEDMO CC1=C(C)C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000280781465 394074163 /nfs/dbraw/zinc/07/41/63/394074163.db2.gz QCHQLKRRYPHTPG-QGZVFWFLSA-N 1 1 295.386 2.706 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)NCCCCn1cc[nH+]c1C ZINC000281828288 394079817 /nfs/dbraw/zinc/07/98/17/394079817.db2.gz KLGDKEHYDYFYOQ-CQSZACIVSA-N 1 1 278.400 2.626 20 30 CFEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCCCC#N)C1 ZINC000492882026 394087953 /nfs/dbraw/zinc/08/79/53/394087953.db2.gz IOPVRWWSWSVLKW-CYBMUJFWSA-N 1 1 281.400 2.621 20 30 CFEDMO C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C[C@@H]1n1ccnc1 ZINC000129733655 394093334 /nfs/dbraw/zinc/09/33/34/394093334.db2.gz GRUXVKWDYAGGDN-YJBOKZPZSA-N 1 1 297.377 2.957 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2ccc(F)cc2)C1=O ZINC000281921571 394094481 /nfs/dbraw/zinc/09/44/81/394094481.db2.gz HHRJDGADWAEDPD-DOMZBBRYSA-N 1 1 276.355 2.605 20 30 CFEDMO C[NH+](C)C1(CN[C@H]2CCc3ccc(C#N)cc32)CCC1 ZINC000353636750 394033412 /nfs/dbraw/zinc/03/34/12/394033412.db2.gz ORDCLBNZKYNZTO-INIZCTEOSA-N 1 1 269.392 2.619 20 30 CFEDMO C=CCN1CC[C@@H](N(C)c2cc[nH+]c3ccsc32)C1=O ZINC000282012501 394109946 /nfs/dbraw/zinc/10/99/46/394109946.db2.gz XAGBWEWPJZHZCV-CYBMUJFWSA-N 1 1 287.388 2.519 20 30 CFEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1Cl)C[C@@H](C)O ZINC000439429140 394114384 /nfs/dbraw/zinc/11/43/84/394114384.db2.gz DWLJWRZUALSWMC-LLVKDONJSA-N 1 1 266.772 2.803 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](CC)[C@H](C)c2ccc(C#N)cc2)C1=O ZINC000282052899 394117101 /nfs/dbraw/zinc/11/71/01/394117101.db2.gz RSMNDGQXFGIHBP-RHSMWYFYSA-N 1 1 297.402 2.728 20 30 CFEDMO C=CCCCC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000359359481 394130820 /nfs/dbraw/zinc/13/08/20/394130820.db2.gz CZQOISJDWRSUCK-AWEZNQCLSA-N 1 1 252.402 2.676 20 30 CFEDMO C#CCC[N@H+](C)[C@@]1(c2ccccc2)CCCCC1=O ZINC000284079087 394135260 /nfs/dbraw/zinc/13/52/60/394135260.db2.gz LGCGEQYLHVBBSP-QGZVFWFLSA-N 1 1 255.361 2.980 20 30 CFEDMO C=CC[N@H+](CCC(=O)c1ccc(OC)cc1)C1CC1 ZINC000285799863 394148128 /nfs/dbraw/zinc/14/81/28/394148128.db2.gz YNYFXQFDSHRLSH-UHFFFAOYSA-N 1 1 259.349 2.918 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)N(C)C[C@H]1CCC[N@H+]1C ZINC000420993629 394149814 /nfs/dbraw/zinc/14/98/14/394149814.db2.gz FEYUHTHDCWDRGN-CZUORRHYSA-N 1 1 257.381 2.645 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1CCCN1C ZINC000420993629 394149815 /nfs/dbraw/zinc/14/98/15/394149815.db2.gz FEYUHTHDCWDRGN-CZUORRHYSA-N 1 1 257.381 2.645 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H]1CCCN1C ZINC000420993629 394149816 /nfs/dbraw/zinc/14/98/16/394149816.db2.gz FEYUHTHDCWDRGN-CZUORRHYSA-N 1 1 257.381 2.645 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCC(=O)NCC(C)(C)CCC#N ZINC000360427533 394152291 /nfs/dbraw/zinc/15/22/91/394152291.db2.gz VILLHVWNFUJPMM-AWEZNQCLSA-N 1 1 279.428 2.697 20 30 CFEDMO N#Cc1c(C[N@@H+]2CCC[C@@H](CCO)CC2)cn2ccccc12 ZINC000421005904 394154445 /nfs/dbraw/zinc/15/44/45/394154445.db2.gz AQRSDKTZRQWXMP-OAHLLOKOSA-N 1 1 297.402 2.795 20 30 CFEDMO C=CCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448045020 394154917 /nfs/dbraw/zinc/15/49/17/394154917.db2.gz YZECLKZMLXXNIV-ZBFHGGJFSA-N 1 1 291.439 2.611 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000360693056 394157580 /nfs/dbraw/zinc/15/75/80/394157580.db2.gz XXJRQSXVQRHVNM-FUHWJXTLSA-N 1 1 287.403 2.835 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000361123031 394165966 /nfs/dbraw/zinc/16/59/66/394165966.db2.gz LQBOPWGWHYOEOP-AWEZNQCLSA-N 1 1 289.375 2.873 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CC(C)(C)[C@H]2c2cccs2)C1=O ZINC000286927231 394201627 /nfs/dbraw/zinc/20/16/27/394201627.db2.gz KXPNDDGNJWXWGK-GXTWGEPZSA-N 1 1 290.432 2.918 20 30 CFEDMO C=CCN1CC[C@H]([N@H+]2CC(C)(C)[C@H]2c2cccs2)C1=O ZINC000286927231 394201628 /nfs/dbraw/zinc/20/16/28/394201628.db2.gz KXPNDDGNJWXWGK-GXTWGEPZSA-N 1 1 290.432 2.918 20 30 CFEDMO COc1ccc(C[N@H+]2CCS[C@@H](C)[C@H]2C)cc1C#N ZINC000135087707 394211194 /nfs/dbraw/zinc/21/11/94/394211194.db2.gz ZIAQWGFZZLMUEE-NEPJUHHUSA-N 1 1 276.405 2.893 20 30 CFEDMO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3C#N)C2)c1 ZINC000289910740 394223424 /nfs/dbraw/zinc/22/34/24/394223424.db2.gz OAJJCMNIJVUKID-INIZCTEOSA-N 1 1 266.348 2.510 20 30 CFEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3C#N)C2)c1 ZINC000289910740 394223427 /nfs/dbraw/zinc/22/34/27/394223427.db2.gz OAJJCMNIJVUKID-INIZCTEOSA-N 1 1 266.348 2.510 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1nnc2ccccn21 ZINC000135673787 394225327 /nfs/dbraw/zinc/22/53/27/394225327.db2.gz NOSLLRKRSKNFHJ-SNVBAGLBSA-N 1 1 283.360 2.513 20 30 CFEDMO CC[C@@]1(C)C[N@@H+](CCCOc2cccc(C#N)c2)CCO1 ZINC000135737848 394225948 /nfs/dbraw/zinc/22/59/48/394225948.db2.gz SDCHNTWVHVDZID-KRWDZBQOSA-N 1 1 288.391 2.828 20 30 CFEDMO COc1ccc(C)[nH+]c1NCc1cccc(C#N)c1 ZINC000150975703 394257695 /nfs/dbraw/zinc/25/76/95/394257695.db2.gz NDGRGWVWCTYMAN-UHFFFAOYSA-N 1 1 253.305 2.882 20 30 CFEDMO Cc1nc(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1C#N ZINC000291636793 394250933 /nfs/dbraw/zinc/25/09/33/394250933.db2.gz LZPNBFICLAGTLX-KRWDZBQOSA-N 1 1 292.386 2.948 20 30 CFEDMO CCC[C@]1(CO)CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000367370468 394254473 /nfs/dbraw/zinc/25/44/73/394254473.db2.gz LMACRWSOUITMBQ-KRWDZBQOSA-N 1 1 294.439 2.571 20 30 CFEDMO C[C@H]1CCC[N@H+](CCNCc2ccc(C#N)c(F)c2)C1 ZINC000421323708 394187358 /nfs/dbraw/zinc/18/73/58/394187358.db2.gz GYJOSRKXOUNIPS-ZDUSSCGKSA-N 1 1 275.371 2.519 20 30 CFEDMO C[C@H]1CCC[N@@H+](CCNCc2ccc(C#N)c(F)c2)C1 ZINC000421323708 394187362 /nfs/dbraw/zinc/18/73/62/394187362.db2.gz GYJOSRKXOUNIPS-ZDUSSCGKSA-N 1 1 275.371 2.519 20 30 CFEDMO C[C@H](CNCc1ccc(C#N)c(F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000421324560 394188287 /nfs/dbraw/zinc/18/82/87/394188287.db2.gz IQVPXQWUDGPAEL-ZIAGYGMSSA-N 1 1 289.398 2.907 20 30 CFEDMO C[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)N1CCC[C@@H](C)C1 ZINC000421324560 394188290 /nfs/dbraw/zinc/18/82/90/394188290.db2.gz IQVPXQWUDGPAEL-ZIAGYGMSSA-N 1 1 289.398 2.907 20 30 CFEDMO C[C@H]1CCCC[N@@H+]1CCNCc1ccc(C#N)c(F)c1 ZINC000421337308 394190575 /nfs/dbraw/zinc/19/05/75/394190575.db2.gz YMYFSTKYAQYPGS-ZDUSSCGKSA-N 1 1 275.371 2.661 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCNCc1ccc(C#N)c(F)c1 ZINC000421337308 394190579 /nfs/dbraw/zinc/19/05/79/394190579.db2.gz YMYFSTKYAQYPGS-ZDUSSCGKSA-N 1 1 275.371 2.661 20 30 CFEDMO C[N@@H+](Cc1ccc(F)cc1C#N)[C@@H](CO)C(C)(C)C ZINC000134375101 394194754 /nfs/dbraw/zinc/19/47/54/394194754.db2.gz XYFDESTVYKHFPZ-AWEZNQCLSA-N 1 1 264.344 2.536 20 30 CFEDMO COc1cc(C#N)ccc1C[N@@H+]1CCc2ncccc2C1 ZINC000367858908 394262775 /nfs/dbraw/zinc/26/27/75/394262775.db2.gz MOVQYODBAUBVOO-UHFFFAOYSA-N 1 1 279.343 2.520 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCc2ncccc2C1 ZINC000367858908 394262781 /nfs/dbraw/zinc/26/27/81/394262781.db2.gz MOVQYODBAUBVOO-UHFFFAOYSA-N 1 1 279.343 2.520 20 30 CFEDMO CC(C)[N@@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCOC1 ZINC000292015901 394269963 /nfs/dbraw/zinc/26/99/63/394269963.db2.gz YADUTLZZBYPSLV-MRXNPFEDSA-N 1 1 261.340 2.677 20 30 CFEDMO Cc1nc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(Cl)cc1C#N ZINC000292495861 394274853 /nfs/dbraw/zinc/27/48/53/394274853.db2.gz FJUSLIQCTSENOY-QMTHXVAHSA-N 1 1 292.814 2.692 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@H]1CCCOc2cc(F)ccc21 ZINC000295066352 394296694 /nfs/dbraw/zinc/29/66/94/394296694.db2.gz RPOAFRUHYYAFJU-INIZCTEOSA-N 1 1 290.382 2.584 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@H]1CCCOc2cc(F)ccc21 ZINC000295066352 394296695 /nfs/dbraw/zinc/29/66/95/394296695.db2.gz RPOAFRUHYYAFJU-INIZCTEOSA-N 1 1 290.382 2.584 20 30 CFEDMO Fc1ccc(C#CC[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000372158050 394307446 /nfs/dbraw/zinc/30/74/46/394307446.db2.gz SKRJPCBOVZQIIA-HZPDHXFCSA-N 1 1 273.351 2.536 20 30 CFEDMO COc1ccccc1N1CC[C@H](C)[N@@H+](CCCC#N)CC1 ZINC000372197253 394307501 /nfs/dbraw/zinc/30/75/01/394307501.db2.gz MVOSLNLPFZBJOJ-HNNXBMFYSA-N 1 1 287.407 2.900 20 30 CFEDMO CC#CCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000155393013 394316387 /nfs/dbraw/zinc/31/63/87/394316387.db2.gz HGBKOLVGGZCUPG-AWEZNQCLSA-N 1 1 257.333 2.966 20 30 CFEDMO CC#CCC[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000155973345 394326644 /nfs/dbraw/zinc/32/66/44/394326644.db2.gz RYRFFQPBIGMSPB-UHFFFAOYSA-N 1 1 264.319 2.500 20 30 CFEDMO CCc1[nH+]ccn1CC(=O)Nc1cc(Cl)ccc1C#N ZINC000158435805 394357564 /nfs/dbraw/zinc/35/75/64/394357564.db2.gz FXMJJFUSVQJVSO-UHFFFAOYSA-N 1 1 288.738 2.609 20 30 CFEDMO C[N@@H+]1CC[C@H](NCc2ccc(C#N)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000453375193 394392104 /nfs/dbraw/zinc/39/21/04/394392104.db2.gz HWOXZUDHGDRZJK-XIRDDKMYSA-N 1 1 287.382 2.660 20 30 CFEDMO C[N@H+]1CC[C@H](NCc2ccc(C#N)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000453375193 394392106 /nfs/dbraw/zinc/39/21/06/394392106.db2.gz HWOXZUDHGDRZJK-XIRDDKMYSA-N 1 1 287.382 2.660 20 30 CFEDMO N#Cc1ccc(NC(=O)CC[N@@H+]2CC[C@H](F)C2)cc1Cl ZINC000451195916 394367548 /nfs/dbraw/zinc/36/75/48/394367548.db2.gz MLTFFXBSONATPT-NSHDSACASA-N 1 1 295.745 2.584 20 30 CFEDMO Cc1nnc(NC[C@H]2CC[N@H+]2C2CCCCC2)c(C#N)c1C ZINC000528117112 394393239 /nfs/dbraw/zinc/39/32/39/394393239.db2.gz YFLQINUMJKMWMP-OAHLLOKOSA-N 1 1 299.422 2.784 20 30 CFEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc(CC#N)c1 ZINC000172831645 394374156 /nfs/dbraw/zinc/37/41/56/394374156.db2.gz JKCMYYWJOPZOQD-QGZVFWFLSA-N 1 1 299.418 2.699 20 30 CFEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(-c2ccc(CC)cc2)no1 ZINC000519687912 394374915 /nfs/dbraw/zinc/37/49/15/394374915.db2.gz WABGAYPSHRHTAT-CABCVRRESA-N 1 1 299.374 2.732 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451913462 394378182 /nfs/dbraw/zinc/37/81/82/394378182.db2.gz SOYNVFOTHLUYKF-DDTOSNHZSA-N 1 1 298.308 2.864 20 30 CFEDMO Cc1[nH+]ccn1CCCn1cc(C#N)c2ccsc2c1=O ZINC000530177725 394471318 /nfs/dbraw/zinc/47/13/18/394471318.db2.gz SPJCCRQFYQQMJI-UHFFFAOYSA-N 1 1 298.371 2.530 20 30 CFEDMO COC(C)(C)C[N@H+](C)Cc1ccc(F)cc1C#N ZINC000532340238 394531641 /nfs/dbraw/zinc/53/16/41/394531641.db2.gz BRHWQGUWTLMPIE-UHFFFAOYSA-N 1 1 250.317 2.554 20 30 CFEDMO COC(C)(C)C[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000532340238 394531645 /nfs/dbraw/zinc/53/16/45/394531645.db2.gz BRHWQGUWTLMPIE-UHFFFAOYSA-N 1 1 250.317 2.554 20 30 CFEDMO CC[C@H]1CCC[N@@H+](Cc2cccc(C(=O)OC)c2C#N)C1 ZINC000535221455 394533610 /nfs/dbraw/zinc/53/36/10/394533610.db2.gz TXXXWIQAWUTXSE-ZDUSSCGKSA-N 1 1 286.375 2.967 20 30 CFEDMO COC(=O)c1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1C#N ZINC000535756066 394542825 /nfs/dbraw/zinc/54/28/25/394542825.db2.gz QPQFYPKBAUKQFW-OLZOCXBDSA-N 1 1 286.375 2.823 20 30 CFEDMO C[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1cccc(C#N)c1 ZINC000538395611 394602976 /nfs/dbraw/zinc/60/29/76/394602976.db2.gz QMRCCTLLKJKIHF-UONOGXRCSA-N 1 1 257.381 2.551 20 30 CFEDMO C[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1cccc(C#N)c1 ZINC000538395611 394602977 /nfs/dbraw/zinc/60/29/77/394602977.db2.gz QMRCCTLLKJKIHF-UONOGXRCSA-N 1 1 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274.412 2.866 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)nn1 ZINC000653613513 413403751 /nfs/dbraw/zinc/40/37/51/413403751.db2.gz ONKLTJOSRPBMFE-ZDUSSCGKSA-N 1 1 262.401 2.722 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)nn1 ZINC000653643112 413423461 /nfs/dbraw/zinc/42/34/61/413423461.db2.gz BGSVCGKPRSMASU-ZDUSSCGKSA-N 1 1 260.385 2.619 20 30 CFEDMO C[C@H](CNc1ccc(Cl)c(C#N)n1)[N@H+]1CCCC[C@@H]1C ZINC000344438233 162044210 /nfs/dbraw/zinc/04/42/10/162044210.db2.gz GHSFVVPHNUXCNG-NWDGAFQWSA-N 1 1 292.814 2.703 20 30 CFEDMO C[C@@H](Cc1[nH]cc[nH+]1)OCc1cc(C#N)ccc1F ZINC000344627177 162085022 /nfs/dbraw/zinc/08/50/22/162085022.db2.gz CYKWKUIFMRIVAA-JTQLQIEISA-N 1 1 259.284 2.568 20 30 CFEDMO C[C@@H]1CCCC[C@H]1OCC[NH2+]Cc1nc(C#N)cs1 ZINC000352833238 163244731 /nfs/dbraw/zinc/24/47/31/163244731.db2.gz HNQFEPLJFWGOFZ-DGCLKSJQSA-N 1 1 279.409 2.700 20 30 CFEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc2n[nH]cc2c1 ZINC000352869036 163257567 /nfs/dbraw/zinc/25/75/67/163257567.db2.gz GDZBWIDRCUSGJU-VIFPVBQESA-N 1 1 283.360 2.742 20 30 CFEDMO CC[C@H](CC(F)(F)F)[NH2+]Cc1nc(C#N)cs1 ZINC000352942445 163274097 /nfs/dbraw/zinc/27/40/97/163274097.db2.gz NOIHRTJVKDMJQE-SSDOTTSWSA-N 1 1 263.288 2.835 20 30 CFEDMO N#Cc1ccccc1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353023580 163290242 /nfs/dbraw/zinc/29/02/42/163290242.db2.gz NMDYUSUFTSJNPZ-NSHDSACASA-N 1 1 266.291 2.619 20 30 CFEDMO CCC[N@@H+](CC)C[C@H](C)NCc1cccc(C#N)c1 ZINC000353098879 163306465 /nfs/dbraw/zinc/30/64/65/163306465.db2.gz WGTKJXJQERBXNS-AWEZNQCLSA-N 1 1 259.397 2.768 20 30 CFEDMO CCCN(CC)C[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000353098879 163306468 /nfs/dbraw/zinc/30/64/68/163306468.db2.gz WGTKJXJQERBXNS-AWEZNQCLSA-N 1 1 259.397 2.768 20 30 CFEDMO Cc1nc(CC[N@@H+](C)Cc2ccc(C#N)cc2Cl)no1 ZINC000353207210 163318405 /nfs/dbraw/zinc/31/84/05/163318405.db2.gz YECXUFQBHSTRPY-UHFFFAOYSA-N 1 1 290.754 2.578 20 30 CFEDMO Cc1nc(CC[N@H+](C)Cc2ccc(C#N)cc2Cl)no1 ZINC000353207210 163318407 /nfs/dbraw/zinc/31/84/07/163318407.db2.gz YECXUFQBHSTRPY-UHFFFAOYSA-N 1 1 290.754 2.578 20 30 CFEDMO CCOc1cccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)n1 ZINC000353247733 163328347 /nfs/dbraw/zinc/32/83/47/163328347.db2.gz KHKHHMABSBTADC-UHFFFAOYSA-N 1 1 297.358 2.650 20 30 CFEDMO CCCC[N@H+](C)CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353272813 163334352 /nfs/dbraw/zinc/33/43/52/163334352.db2.gz LXKZRPBEIIMDEB-KRWDZBQOSA-N 1 1 271.408 2.867 20 30 CFEDMO CCCC[N@@H+](C)CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353272813 163334353 /nfs/dbraw/zinc/33/43/53/163334353.db2.gz LXKZRPBEIIMDEB-KRWDZBQOSA-N 1 1 271.408 2.867 20 30 CFEDMO CCCC[N@H+](C)CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353272818 163334367 /nfs/dbraw/zinc/33/43/67/163334367.db2.gz LXKZRPBEIIMDEB-QGZVFWFLSA-N 1 1 271.408 2.867 20 30 CFEDMO CCCC[N@@H+](C)CCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353272818 163334368 /nfs/dbraw/zinc/33/43/68/163334368.db2.gz LXKZRPBEIIMDEB-QGZVFWFLSA-N 1 1 271.408 2.867 20 30 CFEDMO CCc1nnc([C@@H](C)[NH2+][C@H]2CCc3ccc(C#N)cc32)[nH]1 ZINC000353271074 163334375 /nfs/dbraw/zinc/33/43/75/163334375.db2.gz XWSNIGHHBNUKEY-YGRLFVJLSA-N 1 1 281.363 2.577 20 30 CFEDMO N#Cc1ccc2c(c1)[C@@H](NCCC[NH+]1CCCC1)CC2 ZINC000353390489 163357910 /nfs/dbraw/zinc/35/79/10/163357910.db2.gz UWVQTTYNNBBTNR-KRWDZBQOSA-N 1 1 269.392 2.621 20 30 CFEDMO C[C@H](CN[C@@H]1CCc2ccc(C#N)cc21)C[NH+]1CCCC1 ZINC000353414625 163360599 /nfs/dbraw/zinc/36/05/99/163360599.db2.gz UAPLLXPIMUJSAV-RDTXWAMCSA-N 1 1 283.419 2.867 20 30 CFEDMO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353431598 163362511 /nfs/dbraw/zinc/36/25/11/163362511.db2.gz ZYYUXFCWFIGWPS-YJBOKZPZSA-N 1 1 283.419 2.867 20 30 CFEDMO CCC[N@H+]1CC[C@@H](CN[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000353431598 163362513 /nfs/dbraw/zinc/36/25/13/163362513.db2.gz ZYYUXFCWFIGWPS-YJBOKZPZSA-N 1 1 283.419 2.867 20 30 CFEDMO CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000353456410 163370177 /nfs/dbraw/zinc/37/01/77/163370177.db2.gz WATSDIDCINISMW-MRXNPFEDSA-N 1 1 299.418 2.685 20 30 CFEDMO CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C#N)c2)C1 ZINC000353456410 163370179 /nfs/dbraw/zinc/37/01/79/163370179.db2.gz WATSDIDCINISMW-MRXNPFEDSA-N 1 1 299.418 2.685 20 30 CFEDMO C=CCCn1cc(C[N@H+](C)CCc2ccccc2C)nn1 ZINC000653712950 413459808 /nfs/dbraw/zinc/45/98/08/413459808.db2.gz WYJQSWPIYAORQJ-UHFFFAOYSA-N 1 1 284.407 2.837 20 30 CFEDMO C=CCCn1cc(C[N@@H+](C)CCc2ccccc2C)nn1 ZINC000653712950 413459819 /nfs/dbraw/zinc/45/98/19/413459819.db2.gz WYJQSWPIYAORQJ-UHFFFAOYSA-N 1 1 284.407 2.837 20 30 CFEDMO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000422974045 287050476 /nfs/dbraw/zinc/05/04/76/287050476.db2.gz QDVYETMGXUJRIR-WOSRLPQWSA-N 1 1 257.381 2.597 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000335409053 287131172 /nfs/dbraw/zinc/13/11/72/287131172.db2.gz IGBDTCKPSZEPTH-XJKSGUPXSA-N 1 1 288.416 2.827 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000335409053 287131176 /nfs/dbraw/zinc/13/11/76/287131176.db2.gz IGBDTCKPSZEPTH-XJKSGUPXSA-N 1 1 288.416 2.827 20 30 CFEDMO Fc1ccc(C#CC[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284676629 196110074 /nfs/dbraw/zinc/11/00/74/196110074.db2.gz HERHMKPDWVPTLU-DLBZAZTESA-N 1 1 273.351 2.821 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+]2CCC=C(c3ccccc3)C2)C1=O ZINC000284855158 196145146 /nfs/dbraw/zinc/14/51/46/196145146.db2.gz UETOOSOALUJTSW-QGZVFWFLSA-N 1 1 282.387 2.563 20 30 CFEDMO C=CCCn1cc(C[NH2+][C@H]2CCc3ccc(F)cc32)nn1 ZINC000657352825 413484685 /nfs/dbraw/zinc/48/46/85/413484685.db2.gz DGCMKYDGWLYQAT-INIZCTEOSA-N 1 1 286.354 2.770 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CC[C@@H](C3CCCC3)C2)nn1 ZINC000653768519 413491167 /nfs/dbraw/zinc/49/11/67/413491167.db2.gz JYWIFTNECBNSJT-OAHLLOKOSA-N 1 1 274.412 2.866 20 30 CFEDMO CCOC1CC(C[N@@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000285032695 196182586 /nfs/dbraw/zinc/18/25/86/196182586.db2.gz BLZRLQNBBPFADU-UHFFFAOYSA-N 1 1 258.365 2.805 20 30 CFEDMO C=CCCC(C)(C)NC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000663997856 413503431 /nfs/dbraw/zinc/50/34/31/413503431.db2.gz GFTDYYCWTFPAHP-LBPRGKRZSA-N 1 1 267.417 2.513 20 30 CFEDMO CC#CCC[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660717865 413511820 /nfs/dbraw/zinc/51/18/20/413511820.db2.gz LMXROVLGOGHNDW-UHFFFAOYSA-N 1 1 272.396 2.752 20 30 CFEDMO COCCc1cc[nH+]c(NCc2ccc(C#N)c(OC)c2)c1 ZINC000285200573 196219603 /nfs/dbraw/zinc/21/96/03/196219603.db2.gz OKTSAQCKELBXRI-UHFFFAOYSA-N 1 1 297.358 2.763 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000285221753 196225402 /nfs/dbraw/zinc/22/54/02/196225402.db2.gz RTZTWHFSUSHRGD-ZWKOTPCHSA-N 1 1 285.387 2.842 20 30 CFEDMO COCCc1cc[nH+]c(NCc2ccc(C#N)cc2)c1 ZINC000285245439 196231159 /nfs/dbraw/zinc/23/11/59/196231159.db2.gz RMMZUMHPGSODCH-UHFFFAOYSA-N 1 1 267.332 2.754 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCC(=O)CC23CCC3)cc1 ZINC000660820939 413594660 /nfs/dbraw/zinc/59/46/60/413594660.db2.gz ZWTOUGBCYKICEF-UHFFFAOYSA-N 1 1 268.360 2.688 20 30 CFEDMO N#Cc1ccc(CC[N@@H+]2CCC(=O)CC23CCC3)cc1 ZINC000660820939 413594670 /nfs/dbraw/zinc/59/46/70/413594670.db2.gz ZWTOUGBCYKICEF-UHFFFAOYSA-N 1 1 268.360 2.688 20 30 CFEDMO C=CCCC(C)(C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000664216610 413638888 /nfs/dbraw/zinc/63/88/88/413638888.db2.gz IMRLMXQXJKVYCU-CHWSQXEVSA-N 1 1 267.417 2.513 20 30 CFEDMO C=CC[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000660843839 413616822 /nfs/dbraw/zinc/61/68/22/413616822.db2.gz CLHMXYLUSHEPTA-ARFHVFGLSA-N 1 1 293.455 2.762 20 30 CFEDMO C=CC[C@@H]1CCCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000660867837 413623438 /nfs/dbraw/zinc/62/34/38/413623438.db2.gz GJTMGYZEVQTOMI-RRFJBIMHSA-N 1 1 291.439 2.609 20 30 CFEDMO C=CCC1(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCCC1 ZINC000664368487 413715912 /nfs/dbraw/zinc/71/59/12/413715912.db2.gz SNHAVGVKGQDFAR-ZIAGYGMSSA-N 1 1 291.439 2.800 20 30 CFEDMO C#CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285437211 196283094 /nfs/dbraw/zinc/28/30/94/196283094.db2.gz CQPWGTNUCGSUSE-KZNAEPCWSA-N 1 1 269.388 2.904 20 30 CFEDMO C[N@@H+](CC#Cc1ccc(F)cc1)[C@H](CO)Cc1ccccc1 ZINC000661090316 413747367 /nfs/dbraw/zinc/74/73/67/413747367.db2.gz AHEUBCAJKSKEMT-IBGZPJMESA-N 1 1 297.373 2.713 20 30 CFEDMO C=CCCNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000664630550 413877746 /nfs/dbraw/zinc/87/77/46/413877746.db2.gz SOSSGJBJQQHFHF-KGLIPLIRSA-N 1 1 279.428 2.515 20 30 CFEDMO C=CCC[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccco1 ZINC000285520276 196313091 /nfs/dbraw/zinc/31/30/91/196313091.db2.gz BCQVYVYGCGFQPS-JKSUJKDBSA-N 1 1 291.439 2.512 20 30 CFEDMO C=CCN1CC[C@H]([N@H+]2CCCC3(CCCC3)CC2)C1=O ZINC000661231886 413833004 /nfs/dbraw/zinc/83/30/04/413833004.db2.gz WFYHKTVAHLAWDF-HNNXBMFYSA-N 1 1 276.424 2.820 20 30 CFEDMO C=CC[N@H+](CCC(=O)c1ccc(OC)cc1)[C@H](C)COC ZINC000661240407 413840275 /nfs/dbraw/zinc/84/02/75/413840275.db2.gz OBIZWARWHKNVHJ-CQSZACIVSA-N 1 1 291.391 2.791 20 30 CFEDMO C=CC[N@@H+](CC#Cc1ccc(F)cc1)[C@@H](C)COC ZINC000661241564 413841207 /nfs/dbraw/zinc/84/12/07/413841207.db2.gz BDBUNRLTALQKTF-AWEZNQCLSA-N 1 1 261.340 2.700 20 30 CFEDMO C=CC[N@@H+](C[C@H](O)CCc1ccccc1)[C@H](C)COC ZINC000661240330 413842679 /nfs/dbraw/zinc/84/26/79/413842679.db2.gz NJXMUNGBNPDZKA-NVXWUHKLSA-N 1 1 277.408 2.503 20 30 CFEDMO C=CC[N@@H+](Cc1cccc(C(C)=O)c1)[C@H](C)COC ZINC000661240768 413842706 /nfs/dbraw/zinc/84/27/06/413842706.db2.gz QVMDFXNOLSSLRH-CYBMUJFWSA-N 1 1 261.365 2.912 20 30 CFEDMO C=CC[N@H+](Cc1cn2c(cccc2C)n1)[C@@H](C)COC ZINC000661244906 413846504 /nfs/dbraw/zinc/84/65/04/413846504.db2.gz XGKKDQKBEPRYLB-AWEZNQCLSA-N 1 1 273.380 2.666 20 30 CFEDMO C=CC[N@@H+](Cc1cn2c(cccc2C)n1)[C@@H](C)COC ZINC000661244906 413846510 /nfs/dbraw/zinc/84/65/10/413846510.db2.gz XGKKDQKBEPRYLB-AWEZNQCLSA-N 1 1 273.380 2.666 20 30 CFEDMO C=CC[N@H+](CCC(=O)Nc1cccc(F)c1)[C@H](C)COC ZINC000661244554 413846753 /nfs/dbraw/zinc/84/67/53/413846753.db2.gz VAPBRCDQLAGNPP-CYBMUJFWSA-N 1 1 294.370 2.677 20 30 CFEDMO C=CCCCCCNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000661359701 413917116 /nfs/dbraw/zinc/91/71/16/413917116.db2.gz QLSMLJOSXOMQRQ-AWEZNQCLSA-N 1 1 281.444 2.905 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000661376276 413931361 /nfs/dbraw/zinc/93/13/61/413931361.db2.gz ADCYMUCDVDAPPC-LSDHHAIUSA-N 1 1 264.413 2.533 20 30 CFEDMO C=CCCn1cc(C[NH+]2CCC(C3CCC3)CC2)nn1 ZINC000661375971 413932808 /nfs/dbraw/zinc/93/28/08/413932808.db2.gz CGXXQLSMJQCJCU-UHFFFAOYSA-N 1 1 274.412 2.866 20 30 CFEDMO C=CC[C@H]1CCC[N@@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000661386802 413941333 /nfs/dbraw/zinc/94/13/33/413941333.db2.gz UVDKWITYDQQRIT-AWEZNQCLSA-N 1 1 293.432 2.878 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000661386802 413941341 /nfs/dbraw/zinc/94/13/41/413941341.db2.gz UVDKWITYDQQRIT-AWEZNQCLSA-N 1 1 293.432 2.878 20 30 CFEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000661386803 413942519 /nfs/dbraw/zinc/94/25/19/413942519.db2.gz UVDKWITYDQQRIT-CQSZACIVSA-N 1 1 293.432 2.878 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000661386803 413942528 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C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CN1CCN(C)CC1 ZINC000657871669 414018072 /nfs/dbraw/zinc/01/80/72/414018072.db2.gz WJTDAHOJZHLNRR-RCCFBDPRSA-N 1 1 293.499 2.594 20 30 CFEDMO C=CC[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000661408127 413957356 /nfs/dbraw/zinc/95/73/56/413957356.db2.gz OSZUYSYIYGEXKH-CABCVRRESA-N 1 1 293.455 2.857 20 30 CFEDMO CN(Cc1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285599254 196339836 /nfs/dbraw/zinc/33/98/36/196339836.db2.gz VDAPSWTYQZECHX-SJPCQFCGSA-N 1 1 269.392 2.615 20 30 CFEDMO C=C(C)CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000654986368 414048212 /nfs/dbraw/zinc/04/82/12/414048212.db2.gz FLNNUPINSSBRKH-MRXNPFEDSA-N 1 1 272.392 2.543 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000661582433 414065578 /nfs/dbraw/zinc/06/55/78/414065578.db2.gz DAOMGSJSCIZDHP-UKRRQHHQSA-N 1 1 264.413 2.579 20 30 CFEDMO O[C@@]1(C2CC2)CCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000661624156 414090368 /nfs/dbraw/zinc/09/03/68/414090368.db2.gz 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KOJGVSBHDZTUGM-CQSZACIVSA-N 1 1 282.391 2.987 20 30 CFEDMO Cc1ccc(C[N@H+](C)C[C@H](C)C#N)c(-c2cnn(C)c2)c1 ZINC000282778817 263078720 /nfs/dbraw/zinc/07/87/20/263078720.db2.gz KOJGVSBHDZTUGM-CQSZACIVSA-N 1 1 282.391 2.987 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000340206285 263093322 /nfs/dbraw/zinc/09/33/22/263093322.db2.gz YMJUNNPUMBUPGY-KBPBESRZSA-N 1 1 283.412 2.510 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1C(=O)OC(C)(C)C ZINC000340206285 263093323 /nfs/dbraw/zinc/09/33/23/263093323.db2.gz YMJUNNPUMBUPGY-KBPBESRZSA-N 1 1 283.412 2.510 20 30 CFEDMO C[C@H]1CCSCC[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000286239891 263097763 /nfs/dbraw/zinc/09/77/63/263097763.db2.gz RTIPTVPWGKNXHX-ZDUSSCGKSA-N 1 1 276.405 2.916 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000340234895 263099067 /nfs/dbraw/zinc/09/90/67/263099067.db2.gz GIDKWRIFFDABHB-UHFFFAOYSA-N 1 1 298.430 2.980 20 30 CFEDMO C[C@H]1[C@@H](NC(=O)CC(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000288251432 263103878 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263147220 /nfs/dbraw/zinc/14/72/20/263147220.db2.gz HXDIWSYDRYFKLY-CYBMUJFWSA-N 1 1 273.380 2.560 20 30 CFEDMO CN(CCC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1)Cc1ccco1 ZINC000293737000 263148022 /nfs/dbraw/zinc/14/80/22/263148022.db2.gz ZUESPKXVPDOTGG-LSDHHAIUSA-N 1 1 275.396 2.726 20 30 CFEDMO N#C[C@@H]1CC[C@H]([N@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC000293943486 263152657 /nfs/dbraw/zinc/15/26/57/263152657.db2.gz BFKNTSOSUKNJQD-YRXWBPOGSA-N 1 1 295.430 2.742 20 30 CFEDMO N#C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)C1 ZINC000293943486 263152659 /nfs/dbraw/zinc/15/26/59/263152659.db2.gz BFKNTSOSUKNJQD-YRXWBPOGSA-N 1 1 295.430 2.742 20 30 CFEDMO CCCn1ccnc1CCC[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000293950842 263153050 /nfs/dbraw/zinc/15/30/50/263153050.db2.gz BSMWNFQTIJZCGV-CABCVRRESA-N 1 1 274.412 2.850 20 30 CFEDMO CC(C)(CCC#N)C[N@@H+]1C[C@H]2C[C@H](Cn3c2cccc3=O)C1 ZINC000294878813 263168723 /nfs/dbraw/zinc/16/87/23/263168723.db2.gz VIJXYJSMWSVSKE-LSDHHAIUSA-N 1 1 299.418 2.597 20 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/nfs/dbraw/zinc/44/61/77/618446177.db2.gz GTBSQIXGWKSENM-LBPRGKRZSA-N 1 1 277.339 2.688 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001024696360 618446584 /nfs/dbraw/zinc/44/65/84/618446584.db2.gz HSWANZSHJVBWHW-KURKYZTESA-N 1 1 298.430 2.947 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000895184178 618447223 /nfs/dbraw/zinc/44/72/23/618447223.db2.gz SPOOXSVRSNEXSR-AWEZNQCLSA-N 1 1 254.377 2.890 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001024705245 618448687 /nfs/dbraw/zinc/44/86/87/618448687.db2.gz YHGPFRVKLTVLTI-OWCLPIDISA-N 1 1 276.424 2.579 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cncc(Cl)c1 ZINC001024711922 618449893 /nfs/dbraw/zinc/44/98/93/618449893.db2.gz NAQZJLHDGHKRME-AWEZNQCLSA-N 1 1 293.798 2.505 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC12CCCC2 ZINC001024745306 618459899 /nfs/dbraw/zinc/45/98/99/618459899.db2.gz SPYNWOXDBYHZNE-HZPDHXFCSA-N 1 1 288.435 2.561 20 30 CFEDMO C=CCCC[N@H+](C)Cn1nc(C)c2cc([N+](=O)[O-])cnc21 ZINC000749954739 618464130 /nfs/dbraw/zinc/46/41/30/618464130.db2.gz NDAQLEXZPNFGCY-UHFFFAOYSA-N 1 1 289.339 2.503 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(Cl)cn1 ZINC001024767743 618466256 /nfs/dbraw/zinc/46/62/56/618466256.db2.gz HLQUENNUERDXLG-CYBMUJFWSA-N 1 1 293.798 2.505 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C)c1C ZINC001024785759 618469416 /nfs/dbraw/zinc/46/94/16/618469416.db2.gz ORYMUCKYOYKSEN-QGZVFWFLSA-N 1 1 298.430 2.911 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C)c1C ZINC001024786463 618469670 /nfs/dbraw/zinc/46/96/70/618469670.db2.gz JXKINLDWYPAYKT-INIZCTEOSA-N 1 1 284.403 2.521 20 30 CFEDMO C(#Cc1ccccc1)CN[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000895225010 618485291 /nfs/dbraw/zinc/48/52/91/618485291.db2.gz BMZNYIPAXRSZTK-MSOLQXFVSA-N 1 1 268.404 2.645 20 30 CFEDMO C(#Cc1ccccc1)CN[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000895225010 618485292 /nfs/dbraw/zinc/48/52/92/618485292.db2.gz BMZNYIPAXRSZTK-MSOLQXFVSA-N 1 1 268.404 2.645 20 30 CFEDMO COc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c(F)c1OC ZINC000895227509 618485887 /nfs/dbraw/zinc/48/58/87/618485887.db2.gz BZCPKHLIRPJNSQ-GFCCVEGCSA-N 1 1 292.354 2.969 20 30 CFEDMO COc1ccc(C[N@H+]2CCC[C@H](CC#N)C2)c(F)c1OC ZINC000895227509 618485890 /nfs/dbraw/zinc/48/58/90/618485890.db2.gz BZCPKHLIRPJNSQ-GFCCVEGCSA-N 1 1 292.354 2.969 20 30 CFEDMO C#C[C@@H](C)[NH2+]Cc1ccc(C)cc1Br ZINC000166393136 618495420 /nfs/dbraw/zinc/49/54/20/618495420.db2.gz GWQLRPZGTIBFOR-SNVBAGLBSA-N 1 1 252.155 2.869 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](Cc2cnn(CC3CCC3)c2)C1 ZINC000895314044 618530333 /nfs/dbraw/zinc/53/03/33/618530333.db2.gz QJTPJISSCWXWIN-OAHLLOKOSA-N 1 1 272.396 2.809 20 30 CFEDMO C#CC1(O)CC[NH+](Cc2c(F)cc(C)cc2Cl)CC1 ZINC000895386292 618562583 /nfs/dbraw/zinc/56/25/83/618562583.db2.gz WTIJXKBKWRGGPJ-UHFFFAOYSA-N 1 1 281.758 2.748 20 30 CFEDMO C#C[C@@H](CC)[NH2+]Cc1cc(OC)ccc1Br ZINC000229895616 618647420 /nfs/dbraw/zinc/64/74/20/618647420.db2.gz BPOABHDBPULIKZ-NSHDSACASA-N 1 1 282.181 2.959 20 30 CFEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000892596494 618647720 /nfs/dbraw/zinc/64/77/20/618647720.db2.gz QQGPWAPQGPKMCO-HOTGVXAUSA-N 1 1 276.424 2.866 20 30 CFEDMO CC[C@H]1C[N@@H+](C)CCCN1c1nc(Cl)c(C#N)s1 ZINC000311049128 618678868 /nfs/dbraw/zinc/67/88/68/618678868.db2.gz QLDIQRYQIWTMLT-VIFPVBQESA-N 1 1 284.816 2.589 20 30 CFEDMO C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1C ZINC001018230347 618687846 /nfs/dbraw/zinc/68/78/46/618687846.db2.gz SMHNFTGHJLLHEI-IYBDPMFKSA-N 1 1 284.403 2.778 20 30 CFEDMO C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C)c1C ZINC001018230347 618687851 /nfs/dbraw/zinc/68/78/51/618687851.db2.gz SMHNFTGHJLLHEI-IYBDPMFKSA-N 1 1 284.403 2.778 20 30 CFEDMO Cc1cc(F)c(C#N)c(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000892674841 618695459 /nfs/dbraw/zinc/69/54/59/618695459.db2.gz ZJSBQJCQDOXLLY-RYUDHWBXSA-N 1 1 261.344 2.900 20 30 CFEDMO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001007564240 618704368 /nfs/dbraw/zinc/70/43/68/618704368.db2.gz ZGKBQFMFOHVKRL-SNVBAGLBSA-N 1 1 284.812 2.782 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cscc2Cl)C1 ZINC001007564240 618704369 /nfs/dbraw/zinc/70/43/69/618704369.db2.gz ZGKBQFMFOHVKRL-SNVBAGLBSA-N 1 1 284.812 2.782 20 30 CFEDMO CCCCCCCCCC[N@H+]1CCOC[C@H]1CO ZINC000168785335 618718756 /nfs/dbraw/zinc/71/87/56/618718756.db2.gz AYNWHBPNCCJSHM-OAHLLOKOSA-N 1 1 257.418 2.820 20 30 CFEDMO CCCC(N)=[NH+]OCCOc1ccc(SC)cc1 ZINC000174145166 618772735 /nfs/dbraw/zinc/77/27/35/618772735.db2.gz GPJFOSCGUXDIDH-UHFFFAOYSA-N 1 1 268.382 2.876 20 30 CFEDMO N#CC1(CN[C@H]2CCC[N@@H+]3CCCC[C@H]23)CCCC1 ZINC000926874285 618777905 /nfs/dbraw/zinc/77/79/05/618777905.db2.gz NJDVLDKFXJZRLS-LSDHHAIUSA-N 1 1 261.413 2.677 20 30 CFEDMO N#CC1(CN[C@H]2CCC[N@H+]3CCCC[C@H]23)CCCC1 ZINC000926874285 618777908 /nfs/dbraw/zinc/77/79/08/618777908.db2.gz NJDVLDKFXJZRLS-LSDHHAIUSA-N 1 1 261.413 2.677 20 30 CFEDMO CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]CC(C)(C)C#N ZINC000926875229 618778796 /nfs/dbraw/zinc/77/87/96/618778796.db2.gz WTHIVEBCVOUFAH-XHDPSFHLSA-N 1 1 291.370 2.531 20 30 CFEDMO Cc1cc(C#N)nc(N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000892995476 618795193 /nfs/dbraw/zinc/79/51/93/618795193.db2.gz QSKOBVGGDZPNEK-INIZCTEOSA-N 1 1 278.359 2.860 20 30 CFEDMO C#CCOc1ccccc1C[NH2+][C@H](C)c1ccccn1 ZINC000020123839 618799365 /nfs/dbraw/zinc/79/93/65/618799365.db2.gz OHYFRYHIOKYKGC-CQSZACIVSA-N 1 1 266.344 2.944 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)CC[C@@H](O)c1ccccc1 ZINC000311998140 618816941 /nfs/dbraw/zinc/81/69/41/618816941.db2.gz PCCINLJXWRDMTM-MRXNPFEDSA-N 1 1 260.381 2.982 20 30 CFEDMO Cc1cccc2nc(CNC(=[NH2+])NC3CCCCCC3)[nH]c21 ZINC000092278777 618867950 /nfs/dbraw/zinc/86/79/50/618867950.db2.gz JEIGDRRFZDZVDI-UHFFFAOYSA-N 1 1 299.422 2.998 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC001007859306 618880037 /nfs/dbraw/zinc/88/00/37/618880037.db2.gz MMOZOUUBTFQUMR-CQSZACIVSA-N 1 1 297.402 2.857 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(C)c(F)c2)C1 ZINC001007864742 618880949 /nfs/dbraw/zinc/88/09/49/618880949.db2.gz LEOVLIXKRSMPPI-HNNXBMFYSA-N 1 1 290.382 2.904 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2sccc2C)C1 ZINC001006604279 618883972 /nfs/dbraw/zinc/88/39/72/618883972.db2.gz UGYFSZZZFWJIOJ-ZDUSSCGKSA-N 1 1 278.421 2.827 20 30 CFEDMO NC(=[NH+]OCc1cccc(F)c1F)C1CCCC1 ZINC000194253839 618933589 /nfs/dbraw/zinc/93/35/89/618933589.db2.gz MPVMVFJEWXRLAX-UHFFFAOYSA-N 1 1 254.280 2.944 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2ccc(C)o2)C1 ZINC001008791769 618970251 /nfs/dbraw/zinc/97/02/51/618970251.db2.gz QXVDZNWJUYBKFP-HUUCEWRRSA-N 1 1 290.407 2.848 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2c[nH]cc2C2CC2)C1 ZINC001009031610 618976708 /nfs/dbraw/zinc/97/67/08/618976708.db2.gz URYYZOURCRQCAQ-CQSZACIVSA-N 1 1 287.407 2.662 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)C2CCCC2)C1 ZINC001009156264 618981916 /nfs/dbraw/zinc/98/19/16/618981916.db2.gz VXXDKECZWAZHLP-ZFWWWQNUSA-N 1 1 264.413 2.579 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccccc2C)C1 ZINC001009601733 619002880 /nfs/dbraw/zinc/00/28/80/619002880.db2.gz HQWTYCIIDSKGTN-DLBZAZTESA-N 1 1 298.430 2.702 20 30 CFEDMO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1 ZINC001009634056 619004873 /nfs/dbraw/zinc/00/48/73/619004873.db2.gz IRFZNFFAABHIPZ-SSHXOBKSSA-N 1 1 276.424 2.579 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000893479974 619014257 /nfs/dbraw/zinc/01/42/57/619014257.db2.gz GCMTVMRZIRKTPP-OAHLLOKOSA-N 1 1 299.418 2.635 20 30 CFEDMO C[C@@H](c1ncccn1)[N@H+](C)CCc1cccc(C#N)c1 ZINC000931507850 619016109 /nfs/dbraw/zinc/01/61/09/619016109.db2.gz FGWANOGOKCSZEZ-ZDUSSCGKSA-N 1 1 266.348 2.584 20 30 CFEDMO C[C@@H](c1ncccn1)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000931507850 619016110 /nfs/dbraw/zinc/01/61/10/619016110.db2.gz FGWANOGOKCSZEZ-ZDUSSCGKSA-N 1 1 266.348 2.584 20 30 CFEDMO COC1CCC(C[N@H+]2CCC[C@](C)(C#N)C2)CC1 ZINC000893525750 619036767 /nfs/dbraw/zinc/03/67/67/619036767.db2.gz UBNSXTDBHUIOBI-YMAMQOFZSA-N 1 1 250.386 2.817 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001009781064 619038392 /nfs/dbraw/zinc/03/83/92/619038392.db2.gz OKMKDRVFQIDVAL-GOSISDBHSA-N 1 1 298.430 2.639 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001009781064 619038394 /nfs/dbraw/zinc/03/83/94/619038394.db2.gz OKMKDRVFQIDVAL-GOSISDBHSA-N 1 1 298.430 2.639 20 30 CFEDMO C[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1ccc(C#N)o1 ZINC000093637122 619041701 /nfs/dbraw/zinc/04/17/01/619041701.db2.gz NQQDVTTUAWSHQE-ZDUSSCGKSA-N 1 1 281.359 2.992 20 30 CFEDMO CSc1ccc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)cc1C#N ZINC000925771623 619085289 /nfs/dbraw/zinc/08/52/89/619085289.db2.gz CNSBNSFVVNFTQK-SWLSCSKDSA-N 1 1 289.448 2.758 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931720654 619103614 /nfs/dbraw/zinc/10/36/14/619103614.db2.gz VOXFOKCCYHKTKT-XKQJLSEDSA-N 1 1 269.392 2.788 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931720654 619103615 /nfs/dbraw/zinc/10/36/15/619103615.db2.gz VOXFOKCCYHKTKT-XKQJLSEDSA-N 1 1 269.392 2.788 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931720654 619103616 /nfs/dbraw/zinc/10/36/16/619103616.db2.gz VOXFOKCCYHKTKT-XKQJLSEDSA-N 1 1 269.392 2.788 20 30 CFEDMO CCCC(N)=[NH+]OCc1nnc(-c2cccc(Cl)c2)o1 ZINC000106436626 619113173 /nfs/dbraw/zinc/11/31/73/619113173.db2.gz CPRWDRDUMDPCBR-UHFFFAOYSA-N 1 1 294.742 2.979 20 30 CFEDMO C#CCOc1ccc(CNC[C@@H]2CCCC[N@H+]2CC)cc1 ZINC000236829025 619143385 /nfs/dbraw/zinc/14/33/85/619143385.db2.gz SKMXTUALKXPFPD-KRWDZBQOSA-N 1 1 286.419 2.663 20 30 CFEDMO C#CCOc1ccc(CNC[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC000236829025 619143386 /nfs/dbraw/zinc/14/33/86/619143386.db2.gz SKMXTUALKXPFPD-KRWDZBQOSA-N 1 1 286.419 2.663 20 30 CFEDMO Cc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1C#N ZINC000925837346 619168611 /nfs/dbraw/zinc/16/86/11/619168611.db2.gz GDFGZURUSTXNLB-RCCFBDPRSA-N 1 1 283.419 2.877 20 30 CFEDMO CC#CC[N@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1 ZINC000932190683 619205440 /nfs/dbraw/zinc/20/54/40/619205440.db2.gz DYSFUEZPEBRIHW-LBPRGKRZSA-N 1 1 260.406 2.835 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)cc1 ZINC000840977991 619206954 /nfs/dbraw/zinc/20/69/54/619206954.db2.gz KXVOYPUNTYFHMO-DOTOQJQBSA-N 1 1 287.403 2.682 20 30 CFEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1csc(C#N)c1 ZINC000893911848 619242287 /nfs/dbraw/zinc/24/22/87/619242287.db2.gz DXROOYDSJQGPNN-GYSYKLTISA-N 1 1 264.394 2.601 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)Nc1ccc(C#N)cc1CO ZINC000893922392 619244505 /nfs/dbraw/zinc/24/45/05/619244505.db2.gz FEUNNRBVEWWXEN-CYBMUJFWSA-N 1 1 275.396 2.583 20 30 CFEDMO C[N@@H+](CCCCC#N)Cc1ccn(-c2ccccc2)n1 ZINC000726596390 619253072 /nfs/dbraw/zinc/25/30/72/619253072.db2.gz JSDLOSJRWUSSHJ-UHFFFAOYSA-N 1 1 268.364 2.998 20 30 CFEDMO C#C[C@@H](NC1CC[NH+](CCC(C)C)CC1)C(C)C ZINC000894387908 619363645 /nfs/dbraw/zinc/36/36/45/619363645.db2.gz XUPAOZNIPMFBAM-MRXNPFEDSA-N 1 1 250.430 2.744 20 30 CFEDMO C#C[C@@H]([NH2+]C1CCN(CCC(C)C)CC1)C(C)C ZINC000894387908 619363648 /nfs/dbraw/zinc/36/36/48/619363648.db2.gz XUPAOZNIPMFBAM-MRXNPFEDSA-N 1 1 250.430 2.744 20 30 CFEDMO C#C[C@@H]([NH2+][C@H](C)COCCOC)c1ccc(Cl)cc1F ZINC000894406064 619372211 /nfs/dbraw/zinc/37/22/11/619372211.db2.gz KOWKOPCJLHKSEP-IAQYHMDHSA-N 1 1 299.773 2.795 20 30 CFEDMO C#C[C@@H]([NH2+]C1CCS(=O)CC1)c1ccc(Cl)cc1F ZINC000894408103 619372856 /nfs/dbraw/zinc/37/28/56/619372856.db2.gz YESOJAFWDUCCNO-OTBSTLSISA-N 1 1 299.798 2.654 20 30 CFEDMO N#Cc1ccc(N[C@@H]2CC[N@H+](C3CCCCC3)C2)c(CO)c1 ZINC000894561357 619416811 /nfs/dbraw/zinc/41/68/11/619416811.db2.gz VKCSZJLQMPQLSO-MRXNPFEDSA-N 1 1 299.418 2.869 20 30 CFEDMO C[N@H+](C[C@@H]1C[C@@]1(C)Br)CC(C)(C)C#N ZINC000894611065 619429341 /nfs/dbraw/zinc/42/93/41/619429341.db2.gz SUYPWNUXQCSQOO-GXSJLCMTSA-N 1 1 259.191 2.641 20 30 CFEDMO C[N@@H+](C[C@@H]1C[C@@]1(C)Br)CC(C)(C)C#N 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C=C(C)CN1CCC([NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902795277 621179045 /nfs/dbraw/zinc/17/90/45/621179045.db2.gz CTZDDGNWBTZOJU-CQSZACIVSA-N 1 1 284.407 2.644 20 30 CFEDMO C[C@H]([NH2+]Cc1cccc2c1OCCO2)c1cc(C#N)ccn1 ZINC000902866476 621191438 /nfs/dbraw/zinc/19/14/38/621191438.db2.gz HFZAGXHRROOCQE-LBPRGKRZSA-N 1 1 295.342 2.575 20 30 CFEDMO Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902874700 621194320 /nfs/dbraw/zinc/19/43/20/621194320.db2.gz HPUCYUMDEZSLGD-RISCZKNCSA-N 1 1 287.388 2.707 20 30 CFEDMO CC[C@@H]([NH2+]Cc1ccn(C)n1)c1cccc(C#N)c1 ZINC000902891956 621200989 /nfs/dbraw/zinc/20/09/89/621200989.db2.gz YIIFXFRWTBGHEB-OAHLLOKOSA-N 1 1 254.337 2.533 20 30 CFEDMO CC[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cccc(C#N)c1 ZINC000902949497 621212009 /nfs/dbraw/zinc/21/20/09/621212009.db2.gz ASVKVWYKNFVWQN-HNNXBMFYSA-N 1 1 295.390 2.727 20 30 CFEDMO CC[C@@H]([NH2+][C@@H]1CCn2ccnc21)c1cccc(C#N)c1 ZINC000903003087 621226586 /nfs/dbraw/zinc/22/65/86/621226586.db2.gz ORRZJINWRHVXPU-HUUCEWRRSA-N 1 1 266.348 2.940 20 30 CFEDMO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cc(C#N)ccn1 ZINC000903082516 621245653 /nfs/dbraw/zinc/24/56/53/621245653.db2.gz UEFFIZLQHIZVRK-BCMRRPTOSA-N 1 1 255.243 2.555 20 30 CFEDMO C[C@H]([NH2+]CC(C)(C)C#N)c1ccc(N2CCOC2=O)cc1 ZINC000903100341 621252824 /nfs/dbraw/zinc/25/28/24/621252824.db2.gz OHRNTWBWKBUAMN-LBPRGKRZSA-N 1 1 287.363 2.844 20 30 CFEDMO C[N@H+]1CCC[C@H]1C(=O)N(O)Cc1cccc2ccccc21 ZINC000904173093 621541802 /nfs/dbraw/zinc/54/18/02/621541802.db2.gz NAGVJHYUUPQODB-INIZCTEOSA-N 1 1 284.359 2.652 20 30 CFEDMO CCCCCCN(O)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000904206791 621544028 /nfs/dbraw/zinc/54/40/28/621544028.db2.gz IGUHGMKALIRPIQ-CYBMUJFWSA-N 1 1 279.384 2.552 20 30 CFEDMO C=CC[N@H+](Cc1ccc(N)nn1)CC1CCCCC1 ZINC000904320058 621573556 /nfs/dbraw/zinc/57/35/56/621573556.db2.gz CFDNJKIDQOPWDO-UHFFFAOYSA-N 1 1 260.385 2.627 20 30 CFEDMO Cc1ccn(C[N@@H+](C)Cc2c(C)cccc2C)c(=O)c1C#N ZINC000904439954 621598195 /nfs/dbraw/zinc/59/81/95/621598195.db2.gz TZJJRZSFFDCKMH-UHFFFAOYSA-N 1 1 295.386 2.735 20 30 CFEDMO Cc1ccn(C[N@H+](C)Cc2c(C)cccc2C)c(=O)c1C#N ZINC000904439954 621598197 /nfs/dbraw/zinc/59/81/97/621598197.db2.gz TZJJRZSFFDCKMH-UHFFFAOYSA-N 1 1 295.386 2.735 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ncccc2C)no1 ZINC000904539845 621606521 /nfs/dbraw/zinc/60/65/21/621606521.db2.gz YKTGYEBVDNPAEI-LLVKDONJSA-N 1 1 258.325 2.796 20 30 CFEDMO C=C(Br)C[N@@H+]1CCC[C@@H](COC)CC1 ZINC000832739088 625502395 /nfs/dbraw/zinc/50/23/95/625502395.db2.gz NZADUERTXBJHLC-LLVKDONJSA-N 1 1 262.191 2.644 20 30 CFEDMO C=C(Br)C[N@@H+]1CCC[C@H](COC)CC1 ZINC000832739089 625502801 /nfs/dbraw/zinc/50/28/01/625502801.db2.gz NZADUERTXBJHLC-NSHDSACASA-N 1 1 262.191 2.644 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(O)cc2F)no1 ZINC000904688941 621622659 /nfs/dbraw/zinc/62/26/59/621622659.db2.gz FMGFEGIVQVNMBF-LBPRGKRZSA-N 1 1 277.299 2.937 20 30 CFEDMO CC[C@@H](C[NH+]1CCOCC1)/N=C\c1cc(Cl)ccc1O ZINC000905001563 621679524 /nfs/dbraw/zinc/67/95/24/621679524.db2.gz BBRALQVGJFFELT-XGHPXPSOSA-N 1 1 296.798 2.575 20 30 CFEDMO C[C@@H](C#N)C[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905104388 621700546 /nfs/dbraw/zinc/70/05/46/621700546.db2.gz FRNGORRIDZMLDJ-QPUJVOFHSA-N 1 1 273.163 2.776 20 30 CFEDMO COc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H](C#N)CCC#N ZINC000905433792 621770666 /nfs/dbraw/zinc/77/06/66/621770666.db2.gz BSURLCNAWNUXOQ-UKRRQHHQSA-N 1 1 299.374 2.942 20 30 CFEDMO C#CC[NH+](CC#C)Cc1ccc(OCC(F)(F)F)cc1 ZINC000076185427 625519275 /nfs/dbraw/zinc/51/92/75/625519275.db2.gz JFZKAKZHIUULGR-UHFFFAOYSA-N 1 1 281.277 2.696 20 30 CFEDMO C=CCc1cc(C[N@H+]2CCO[C@H](C)CC2)c(O)c(OC)c1 ZINC000905741574 621842665 /nfs/dbraw/zinc/84/26/65/621842665.db2.gz XHBJSEQZMOZVIO-CYBMUJFWSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CC[C@H]([NH2+]CC(C)(C)C1=CCCC1)C(=O)OC ZINC000905770160 621859994 /nfs/dbraw/zinc/85/99/94/621859994.db2.gz ADZYFSPEHKJPTB-ZDUSSCGKSA-N 1 1 251.370 2.830 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000905980093 621913721 /nfs/dbraw/zinc/91/37/21/621913721.db2.gz ZICNFCSEEWQPFS-QGZVFWFLSA-N 1 1 299.418 2.639 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCON=C1CCC2(CC1)OCCO2 ZINC000906501748 621998456 /nfs/dbraw/zinc/99/84/56/621998456.db2.gz PJONNDITJMKNGD-HNNXBMFYSA-N 1 1 296.411 2.551 20 30 CFEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccsc1C#N ZINC000906816838 622046682 /nfs/dbraw/zinc/04/66/82/622046682.db2.gz IJYNQCBIJWDIBY-LBPRGKRZSA-N 1 1 291.420 2.566 20 30 CFEDMO Cc1cc(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc(C)c1C#N ZINC000906941858 622064983 /nfs/dbraw/zinc/06/49/83/622064983.db2.gz PSLUBAOPPORLMO-HIFRSBDPSA-N 1 1 297.402 2.530 20 30 CFEDMO Cc1cc(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc(C)c1C#N ZINC000906941859 622065478 /nfs/dbraw/zinc/06/54/78/622065478.db2.gz PSLUBAOPPORLMO-UKRRQHHQSA-N 1 1 297.402 2.530 20 30 CFEDMO CC1(C)CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)[C@@H]1C#N ZINC000907761883 622160418 /nfs/dbraw/zinc/16/04/18/622160418.db2.gz HVYIWZGHJLKKHA-SOUVJXGZSA-N 1 1 289.423 2.544 20 30 CFEDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000908287333 622212990 /nfs/dbraw/zinc/21/29/90/622212990.db2.gz JADCBVFCNBSEPQ-VXTDNTOSSA-N 1 1 291.439 2.551 20 30 CFEDMO Cc1cc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc(C)c1C#N ZINC000909914282 622366709 /nfs/dbraw/zinc/36/67/09/622366709.db2.gz LUWCUPXWRGHMDF-OAHLLOKOSA-N 1 1 299.418 2.637 20 30 CFEDMO C[C@H](C[NH+]1CCOCC1)/N=C/c1c(O)ccc2ccccc21 ZINC000044009949 622456657 /nfs/dbraw/zinc/45/66/57/622456657.db2.gz CLFWUFGXAMMKLM-ONDHQXCVSA-N 1 1 298.386 2.685 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2Cc3ccc(C#N)cc3C2)C1 ZINC000912057245 622614398 /nfs/dbraw/zinc/61/43/98/622614398.db2.gz AHAYUCSSTOHIGG-MRXNPFEDSA-N 1 1 297.402 2.522 20 30 CFEDMO C=CCCCCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000912050363 622619134 /nfs/dbraw/zinc/61/91/34/622619134.db2.gz RCCWZZRAEDBUSY-CABCVRRESA-N 1 1 264.413 2.866 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@]1(C)CCC(C)=C(C)C1 ZINC000820687946 622737639 /nfs/dbraw/zinc/73/76/39/622737639.db2.gz FSPPJLWTCFNFCD-KRWDZBQOSA-N 1 1 276.424 2.584 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)NCC2(C#N)CCCCC2)C1 ZINC000912527911 622741067 /nfs/dbraw/zinc/74/10/67/622741067.db2.gz MIHPAQOBJBIPCV-OAHLLOKOSA-N 1 1 291.439 2.699 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000820874681 622779518 /nfs/dbraw/zinc/77/95/18/622779518.db2.gz RUIVXKDMHYZXSC-KBPBESRZSA-N 1 1 264.413 2.531 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)Cc3ccccc3)CCC[C@H]12 ZINC000991415845 622789861 /nfs/dbraw/zinc/78/98/61/622789861.db2.gz LRWXCXRRUJESMS-WMZOPIPTSA-N 1 1 284.403 2.528 20 30 CFEDMO C=CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC000912983697 622812602 /nfs/dbraw/zinc/81/26/02/622812602.db2.gz GFAZZLTZXKMDPV-HUUCEWRRSA-N 1 1 264.413 2.533 20 30 CFEDMO Cc1ccc(C(=O)/C=C\c2c[nH+]c(N(C)C)n2C)cc1C ZINC000821029129 622824888 /nfs/dbraw/zinc/82/48/88/622824888.db2.gz ZIAKTIKUOWTYIB-HJWRWDBZSA-N 1 1 283.375 2.999 20 30 CFEDMO Cc1ccc(C(=O)/C=C/c2c[nH+]c(N(C)C)n2C)cc1C ZINC000821029128 622825254 /nfs/dbraw/zinc/82/52/54/622825254.db2.gz ZIAKTIKUOWTYIB-CMDGGOBGSA-N 1 1 283.375 2.999 20 30 CFEDMO C=CCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000913105516 622835160 /nfs/dbraw/zinc/83/51/60/622835160.db2.gz ZFFZOIWXFWCTNY-NVXWUHKLSA-N 1 1 286.419 2.979 20 30 CFEDMO C#CCOc1ccc(C[NH2+][C@H](CCO)c2ccco2)cc1 ZINC000184499876 625608748 /nfs/dbraw/zinc/60/87/48/625608748.db2.gz IHAIDFHQDIXZFY-MRXNPFEDSA-N 1 1 285.343 2.505 20 30 CFEDMO CCCCCCCC(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000165021728 622978659 /nfs/dbraw/zinc/97/86/59/622978659.db2.gz DZHCBLNIQOIQNY-CQSZACIVSA-N 1 1 254.418 2.900 20 30 CFEDMO N#CCC[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000821877349 622999559 /nfs/dbraw/zinc/99/95/59/622999559.db2.gz MEBGXHOCZRPSON-QGZVFWFLSA-N 1 1 296.370 2.597 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2CC)C1 ZINC001014901517 623115334 /nfs/dbraw/zinc/11/53/34/623115334.db2.gz LUUUDNCIUBLVOW-QGZVFWFLSA-N 1 1 286.419 2.558 20 30 CFEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000076737225 623118114 /nfs/dbraw/zinc/11/81/14/623118114.db2.gz ZSJBAROERPXEGS-LLVKDONJSA-N 1 1 281.787 2.960 20 30 CFEDMO Cc1cccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)c1 ZINC000822653956 623143569 /nfs/dbraw/zinc/14/35/69/623143569.db2.gz GVFQGBCVTDSFBW-LBPRGKRZSA-N 1 1 256.309 2.739 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc(Cc2c(F)cccc2F)no1 ZINC000822696460 623154041 /nfs/dbraw/zinc/15/40/41/623154041.db2.gz OLKCILWJNVFWEP-LBPRGKRZSA-N 1 1 292.289 2.632 20 30 CFEDMO CCc1ccccc1-c1noc([C@H]([NH3+])CCCC#N)n1 ZINC000822701117 623154644 /nfs/dbraw/zinc/15/46/44/623154644.db2.gz LIGCJDPDEAFNOB-CYBMUJFWSA-N 1 1 270.336 2.993 20 30 CFEDMO Cc1ccc(Cc2noc([C@H]([NH3+])CCCC#N)n2)cc1 ZINC000822701547 623155603 /nfs/dbraw/zinc/15/56/03/623155603.db2.gz RJDYEDSLMJZCMG-CYBMUJFWSA-N 1 1 270.336 2.663 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc([C@H]2CCc3ccccc32)no1 ZINC000822803784 623177642 /nfs/dbraw/zinc/17/76/42/623177642.db2.gz RSKIBRMKPRTANL-UONOGXRCSA-N 1 1 282.347 2.841 20 30 CFEDMO C=CCCCCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000822918204 623202832 /nfs/dbraw/zinc/20/28/32/623202832.db2.gz JKILPANUZWIWOA-AWEZNQCLSA-N 1 1 252.402 2.581 20 30 CFEDMO CC[N@H+](Cc1cc2c(cc1O)CCC2)C[C@H](C)C#N ZINC000171065564 623202791 /nfs/dbraw/zinc/20/27/91/623202791.db2.gz BIYCAJBXGAHUPJ-GFCCVEGCSA-N 1 1 258.365 2.862 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000171346681 623218302 /nfs/dbraw/zinc/21/83/02/623218302.db2.gz RXFZJIJZBQDQLP-NSHDSACASA-N 1 1 274.792 2.586 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000171346681 623218307 /nfs/dbraw/zinc/21/83/07/623218307.db2.gz RXFZJIJZBQDQLP-NSHDSACASA-N 1 1 274.792 2.586 20 30 CFEDMO C#C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)c1ccc(Cl)cc1 ZINC000823028377 623220941 /nfs/dbraw/zinc/22/09/41/623220941.db2.gz DFDTWFRZIDAERW-MCIONIFRSA-N 1 1 299.761 2.657 20 30 CFEDMO CCC1(c2noc([C@H]([NH3+])CCCC#N)n2)CCCC1 ZINC000823140403 623244069 /nfs/dbraw/zinc/24/40/69/623244069.db2.gz HAMYVHFBEIFOIZ-LLVKDONJSA-N 1 1 262.357 2.985 20 30 CFEDMO C#CC[N@@H+](CC(=O)OCCCC)C1CCCCC1 ZINC000062364571 623267000 /nfs/dbraw/zinc/26/70/00/623267000.db2.gz ITCAIPQBGYDNKT-UHFFFAOYSA-N 1 1 251.370 2.598 20 30 CFEDMO C#CC[N@H+](CC(=O)OCCCC)C1CCCCC1 ZINC000062364571 623267007 /nfs/dbraw/zinc/26/70/07/623267007.db2.gz ITCAIPQBGYDNKT-UHFFFAOYSA-N 1 1 251.370 2.598 20 30 CFEDMO CCCCCCC[N@@H+](CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000172650229 623295560 /nfs/dbraw/zinc/29/55/60/623295560.db2.gz PNQQRESMODKCHY-CQSZACIVSA-N 1 1 275.458 2.856 20 30 CFEDMO CCCCCCC[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823469673 623328666 /nfs/dbraw/zinc/32/86/66/623328666.db2.gz ZNXLGZUGYLHKJJ-AWEZNQCLSA-N 1 1 250.390 2.885 20 30 CFEDMO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)CC#N ZINC000929411503 623330980 /nfs/dbraw/zinc/33/09/80/623330980.db2.gz KFZPHKJFPFTQTD-IKGGRYGDSA-N 1 1 272.392 2.919 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]Cc1c(C)noc1C ZINC000063550235 623361356 /nfs/dbraw/zinc/36/13/56/623361356.db2.gz SWKANVIKTSMYPF-UHFFFAOYSA-N 1 1 270.332 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1 299.418 2.502 20 30 CFEDMO COc1cc(C[N@H+](C[C@@H](C)C#N)C2CC2)c(O)cc1C ZINC000768461894 627345388 /nfs/dbraw/zinc/34/53/88/627345388.db2.gz HCGBRUJFVSWUEV-NSHDSACASA-N 1 1 274.364 2.833 20 30 CFEDMO COc1cc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c(O)cc1C ZINC000768461894 627345390 /nfs/dbraw/zinc/34/53/90/627345390.db2.gz HCGBRUJFVSWUEV-NSHDSACASA-N 1 1 274.364 2.833 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1)C1CCN(C(C)=O)CC1 ZINC000768549910 627353609 /nfs/dbraw/zinc/35/36/09/627353609.db2.gz FTOGBWXFCPTRIP-UHFFFAOYSA-N 1 1 272.392 2.686 20 30 CFEDMO Cc1nccc([C@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)n1 ZINC000768939885 627388363 /nfs/dbraw/zinc/38/83/63/627388363.db2.gz DXFYKVVAFCQEEQ-ZDUSSCGKSA-N 1 1 282.347 2.629 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cc1 ZINC000769033717 627397653 /nfs/dbraw/zinc/39/76/53/627397653.db2.gz MLPFABPUQOVVMH-WMLDXEAASA-N 1 1 288.391 2.978 20 30 CFEDMO C#CC[N@H+](CC)Cc1cc(Br)cc(OC)c1O ZINC000769107243 627403701 /nfs/dbraw/zinc/40/37/01/627403701.db2.gz UUYQTYHOCWDMCL-UHFFFAOYSA-N 1 1 298.180 2.618 20 30 CFEDMO CCOc1ccc(C[N@@H+](CCC#N)CC2CC2)c(O)c1 ZINC000769335602 627426634 /nfs/dbraw/zinc/42/66/34/627426634.db2.gz OHUNXBQTLVNSNG-UHFFFAOYSA-N 1 1 274.364 2.917 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+](C)Cc1cnn(CC)c1 ZINC000769350921 627428001 /nfs/dbraw/zinc/42/80/01/627428001.db2.gz JSRBGWANYQTMKO-UHFFFAOYSA-N 1 1 283.375 2.547 20 30 CFEDMO C#CCOc1ccccc1C[N@H+](C)Cc1cnn(CC)c1 ZINC000769350921 627428003 /nfs/dbraw/zinc/42/80/03/627428003.db2.gz JSRBGWANYQTMKO-UHFFFAOYSA-N 1 1 283.375 2.547 20 30 CFEDMO C[C@H](C#N)C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000769544520 627454646 /nfs/dbraw/zinc/45/46/46/627454646.db2.gz LTJLTGGXQIPSMC-OAHLLOKOSA-N 1 1 299.418 2.647 20 30 CFEDMO C[C@H](C#N)C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000769544520 627454649 /nfs/dbraw/zinc/45/46/49/627454649.db2.gz LTJLTGGXQIPSMC-OAHLLOKOSA-N 1 1 299.418 2.647 20 30 CFEDMO CN(C)c1ccc(C=[NH+]NCc2ccc(C#N)cc2)cc1F ZINC000769816563 627477908 /nfs/dbraw/zinc/47/79/08/627477908.db2.gz VGNAPCMOVXRNEZ-UHFFFAOYSA-N 1 1 296.349 2.887 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cc(=O)oc2c(C)c(C)ccc12 ZINC000769962552 627492169 /nfs/dbraw/zinc/49/21/69/627492169.db2.gz FLPXDOFVALJYHD-LBPRGKRZSA-N 1 1 269.344 2.863 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000770373565 627516483 /nfs/dbraw/zinc/51/64/83/627516483.db2.gz HJNJXDFLAAXJPY-MSOLQXFVSA-N 1 1 299.414 2.947 20 30 CFEDMO C#CC[C@@H]([NH2+]Cc1cc(OC)no1)c1ccccc1 ZINC000851901566 634579520 /nfs/dbraw/zinc/57/95/20/634579520.db2.gz MFBNOWYMUDGXDB-CQSZACIVSA-N 1 1 256.305 2.537 20 30 CFEDMO C[C@H](C#N)CNN=C1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000771102633 627577559 /nfs/dbraw/zinc/57/75/59/627577559.db2.gz HBYKPXBWHFGLIF-HUUCEWRRSA-N 1 1 284.407 2.634 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)c2snc(Cl)c2C#N)C[C@H]1C ZINC000771223654 627585751 /nfs/dbraw/zinc/58/57/51/627585751.db2.gz NQBPEKFVWXMCTA-NXEZZACHSA-N 1 1 298.843 2.977 20 30 CFEDMO C=CC[N@@H+](CN1C[C@H](c2cccc(F)c2)CC1=O)C1CC1 ZINC000771639730 627620025 /nfs/dbraw/zinc/62/00/25/627620025.db2.gz KBOPQQXSNCHSPX-CQSZACIVSA-N 1 1 288.366 2.750 20 30 CFEDMO C=CC[N@H+](CN1C[C@H](c2cccc(F)c2)CC1=O)C1CC1 ZINC000771639730 627620026 /nfs/dbraw/zinc/62/00/26/627620026.db2.gz KBOPQQXSNCHSPX-CQSZACIVSA-N 1 1 288.366 2.750 20 30 CFEDMO C=CC[N@@H+](CN1C[C@H](c2ccccc2C)CC1=O)C1CC1 ZINC000771642640 627620490 /nfs/dbraw/zinc/62/04/90/627620490.db2.gz TXBPTPOUAPVZDV-OAHLLOKOSA-N 1 1 284.403 2.919 20 30 CFEDMO C=CC[N@H+](CN1C[C@H](c2ccccc2C)CC1=O)C1CC1 ZINC000771642640 627620494 /nfs/dbraw/zinc/62/04/94/627620494.db2.gz TXBPTPOUAPVZDV-OAHLLOKOSA-N 1 1 284.403 2.919 20 30 CFEDMO C[C@@H](CC#N)N[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000771884646 627642012 /nfs/dbraw/zinc/64/20/12/627642012.db2.gz HPPHFCJLTLEZKL-LBPRGKRZSA-N 1 1 276.409 2.964 20 30 CFEDMO CC(C)c1nccnc1N=NC1C[C@H](C)[N@H+](C2CC2)C1 ZINC000773085836 627781435 /nfs/dbraw/zinc/78/14/35/627781435.db2.gz MHKYCPVUNOIKHP-NSHDSACASA-N 1 1 273.384 2.625 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cccc(OC)c1Cl)[C@@H]1CCCO1 ZINC000851950405 634605148 /nfs/dbraw/zinc/60/51/48/634605148.db2.gz ORFSDMJQFXOHIW-STQMWFEESA-N 1 1 279.767 2.619 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)/C(C)=C\C(C)(C)C ZINC000774063186 627883208 /nfs/dbraw/zinc/88/32/08/627883208.db2.gz RQSQOSPZPXJLDV-YBEMTRGBSA-N 1 1 263.381 2.620 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(F)c1OC(F)F ZINC000851990822 634619036 /nfs/dbraw/zinc/61/90/36/634619036.db2.gz XCKLZPXFFMMTMI-VIFPVBQESA-N 1 1 257.255 2.881 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(F)c1OC(F)F ZINC000851990822 634619040 /nfs/dbraw/zinc/61/90/40/634619040.db2.gz XCKLZPXFFMMTMI-VIFPVBQESA-N 1 1 257.255 2.881 20 30 CFEDMO C#CCOCC[N@@H+]1C[C@@H](c2ccc(C)cc2)C[C@H]1C ZINC000851994739 634619955 /nfs/dbraw/zinc/61/99/55/634619955.db2.gz RPNYNCFAUKHBEB-WBVHZDCISA-N 1 1 257.377 2.823 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@]2(CO)CCC)cc1 ZINC000775175490 627998379 /nfs/dbraw/zinc/99/83/79/627998379.db2.gz IJUXXBWGYDLWML-SFHVURJKSA-N 1 1 287.403 2.826 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cccc(Cl)c1F)[C@H]1CCCO1 ZINC000775340277 628011679 /nfs/dbraw/zinc/01/16/79/628011679.db2.gz GMEAEFCKCOTCRS-QWHCGFSZSA-N 1 1 267.731 2.750 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)cc1Cl)[C@@H]1CCCO1 ZINC000775340267 628011917 /nfs/dbraw/zinc/01/19/17/628011917.db2.gz GKQMIUXHQUVWQJ-CABCVRRESA-N 1 1 279.767 2.619 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccc(F)cc1Cl)[C@@H]1CCCO1 ZINC000775343048 628012221 /nfs/dbraw/zinc/01/22/21/628012221.db2.gz UVIHJEBTCSOERE-KBPBESRZSA-N 1 1 267.731 2.750 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cnc(C2CCC2)s1)[C@H]1CCCO1 ZINC000775342308 628012601 /nfs/dbraw/zinc/01/26/01/628012601.db2.gz QGQKNPHNOTUVTC-UONOGXRCSA-N 1 1 276.405 2.681 20 30 CFEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2nccn2C)c1 ZINC000775411752 628022490 /nfs/dbraw/zinc/02/24/90/628022490.db2.gz WYZKDJBUUAFZRT-HIFRSBDPSA-N 1 1 298.390 2.952 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(OC)cc1OC)[C@H]1CCCO1 ZINC000775571155 628038762 /nfs/dbraw/zinc/03/87/62/628038762.db2.gz BCZYZDWYLLOGRT-UHOFOFEASA-N 1 1 289.375 2.535 20 30 CFEDMO C#C[C@H](N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@@H]1CCCO1 ZINC000775572768 628040954 /nfs/dbraw/zinc/04/09/54/628040954.db2.gz CSXITKIBXNLJBK-YSHGAJCASA-N 1 1 298.430 2.592 20 30 CFEDMO C#C[C@H](N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@@H]1CCCO1 ZINC000775572768 628040957 /nfs/dbraw/zinc/04/09/57/628040957.db2.gz CSXITKIBXNLJBK-YSHGAJCASA-N 1 1 298.430 2.592 20 30 CFEDMO C#CCC[N@H+]1[C@H](C(=O)OC(C)(C)C)C[C@@H]2CCCC[C@@H]21 ZINC000775835809 628073974 /nfs/dbraw/zinc/07/39/74/628073974.db2.gz ARPLTNKUNSLMBO-KKUMJFAQSA-N 1 1 277.408 2.985 20 30 CFEDMO CCC#C[C@@H](C)[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000775853866 628075723 /nfs/dbraw/zinc/07/57/23/628075723.db2.gz DNALBEBMQWJWCW-SNVBAGLBSA-N 1 1 261.287 2.632 20 30 CFEDMO CC(C)C[N@H+](CCC#N)Cc1ccc2c(c1)CCC(=O)N2C ZINC000775898095 628081720 /nfs/dbraw/zinc/08/17/20/628081720.db2.gz RIASNPWGAHBBOP-UHFFFAOYSA-N 1 1 299.418 2.967 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc2c(c1)CCC(=O)N2C ZINC000775898095 628081721 /nfs/dbraw/zinc/08/17/21/628081721.db2.gz RIASNPWGAHBBOP-UHFFFAOYSA-N 1 1 299.418 2.967 20 30 CFEDMO N#CC1(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000775981672 628090270 /nfs/dbraw/zinc/09/02/70/628090270.db2.gz JBEPQBWWHFOOCB-HNNXBMFYSA-N 1 1 286.375 2.677 20 30 CFEDMO N#CC1(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000775981672 628090273 /nfs/dbraw/zinc/09/02/73/628090273.db2.gz JBEPQBWWHFOOCB-HNNXBMFYSA-N 1 1 286.375 2.677 20 30 CFEDMO C#CCCOc1ccc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000775985158 628091010 /nfs/dbraw/zinc/09/10/10/628091010.db2.gz KCWCKXLJINZXLP-JKSUJKDBSA-N 1 1 286.419 2.613 20 30 CFEDMO C#CCCOc1ccc(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000775985158 628091014 /nfs/dbraw/zinc/09/10/14/628091014.db2.gz KCWCKXLJINZXLP-JKSUJKDBSA-N 1 1 286.419 2.613 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000775985158 628091017 /nfs/dbraw/zinc/09/10/17/628091017.db2.gz KCWCKXLJINZXLP-JKSUJKDBSA-N 1 1 286.419 2.613 20 30 CFEDMO C#CCCN1CC[N@@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000776033326 628096325 /nfs/dbraw/zinc/09/63/25/628096325.db2.gz IENKTVXLCJZMJD-GOSISDBHSA-N 1 1 270.420 2.996 20 30 CFEDMO C#CCC[N@@H+]1CCN(Cc2ccccc2)[C@H](CCC)C1 ZINC000776033326 628096330 /nfs/dbraw/zinc/09/63/30/628096330.db2.gz IENKTVXLCJZMJD-GOSISDBHSA-N 1 1 270.420 2.996 20 30 CFEDMO C#CCC[N@H+]1CCN(Cc2ccccc2)[C@H](CCC)C1 ZINC000776033326 628096334 /nfs/dbraw/zinc/09/63/34/628096334.db2.gz IENKTVXLCJZMJD-GOSISDBHSA-N 1 1 270.420 2.996 20 30 CFEDMO C[C@H](CC#N)NN=C1C[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000776187426 628113842 /nfs/dbraw/zinc/11/38/42/628113842.db2.gz HKVHSWQWHKJUKP-LSDHHAIUSA-N 1 1 284.407 2.776 20 30 CFEDMO C[C@H](CC#N)NN=C1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000776187426 628113844 /nfs/dbraw/zinc/11/38/44/628113844.db2.gz HKVHSWQWHKJUKP-LSDHHAIUSA-N 1 1 284.407 2.776 20 30 CFEDMO C=CC[C@@H]([NH2+]Cc1ccoc1C(=O)OC)c1ccncc1 ZINC000776186535 628113931 /nfs/dbraw/zinc/11/39/31/628113931.db2.gz URPCVFOLDZIXOD-CQSZACIVSA-N 1 1 286.331 2.868 20 30 CFEDMO C=CCCC[NH+]1CC(O)(c2ccc(Cl)cc2)C1 ZINC000852020698 634630166 /nfs/dbraw/zinc/63/01/66/634630166.db2.gz KMRMIWWGAAHIGD-UHFFFAOYSA-N 1 1 251.757 2.809 20 30 CFEDMO C[C@H]1CC(=NOCCC(F)(F)F)C[N@H+]1C1CC1 ZINC000777462697 628228181 /nfs/dbraw/zinc/22/81/81/628228181.db2.gz HVUCEVQREYZXTH-QMMMGPOBSA-N 1 1 250.264 2.568 20 30 CFEDMO COC[C@H](C)N[NH+]=C(C)c1cc(Cl)c(N)c(Cl)c1 ZINC000777890572 628261520 /nfs/dbraw/zinc/26/15/20/628261520.db2.gz DSAZVCYZSTVALC-ZETCQYMHSA-N 1 1 290.194 2.924 20 30 CFEDMO C=CC[N@@H+](C)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000778164496 628282544 /nfs/dbraw/zinc/28/25/44/628282544.db2.gz FDIBXAOADNCBRO-SFQUDFHCSA-N 1 1 284.403 2.985 20 30 CFEDMO C=CC[N@H+](C)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000778164496 628282545 /nfs/dbraw/zinc/28/25/45/628282545.db2.gz FDIBXAOADNCBRO-SFQUDFHCSA-N 1 1 284.403 2.985 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](C)CCCCCC ZINC000778230529 628289934 /nfs/dbraw/zinc/28/99/34/628289934.db2.gz GGRYYDAXIWMNQY-AWEZNQCLSA-N 1 1 254.418 2.969 20 30 CFEDMO CC#CCC[N@@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000778297867 628295464 /nfs/dbraw/zinc/29/54/64/628295464.db2.gz SQAZHCJBFZEVRU-OKILXGFUSA-N 1 1 280.412 2.730 20 30 CFEDMO CC(C)(C(=O)O[C@@H](C#N)C1CCCCC1)[NH+]1CCCC1 ZINC000805608732 628309465 /nfs/dbraw/zinc/30/94/65/628309465.db2.gz HKEGQOWMZXTEFD-AWEZNQCLSA-N 1 1 278.396 2.876 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)C[C@@H]1CCCO1 ZINC000779153565 628355897 /nfs/dbraw/zinc/35/58/97/628355897.db2.gz GRJCVQQYEQAOEJ-ZDUSSCGKSA-N 1 1 293.794 2.963 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000779153565 628355898 /nfs/dbraw/zinc/35/58/98/628355898.db2.gz GRJCVQQYEQAOEJ-ZDUSSCGKSA-N 1 1 293.794 2.963 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](F)C2)cc1 ZINC000779151121 628355994 /nfs/dbraw/zinc/35/59/94/628355994.db2.gz VKUFETKNJIUBJU-CZUORRHYSA-N 1 1 261.340 2.879 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](F)C2)cc1 ZINC000779151123 628356275 /nfs/dbraw/zinc/35/62/75/628356275.db2.gz VKUFETKNJIUBJU-XJKSGUPXSA-N 1 1 261.340 2.879 20 30 CFEDMO Cc1nc2c(s1)[C@H]([NH2+]C[C@H](C#N)CCC#N)CCC2 ZINC000779752133 628399605 /nfs/dbraw/zinc/39/96/05/628399605.db2.gz IAVUMRWBWSWTMD-NWDGAFQWSA-N 1 1 274.393 2.862 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000852099496 634652863 /nfs/dbraw/zinc/65/28/63/634652863.db2.gz ALPVQSDANDVDIN-BZNIZROVSA-N 1 1 269.348 2.788 20 30 CFEDMO CC(=NN[C@@H](C)CC#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779782914 628403250 /nfs/dbraw/zinc/40/32/50/628403250.db2.gz JQTHUUPDKRYFPF-YOEHRIQHSA-N 1 1 284.407 2.776 20 30 CFEDMO CCc1c2ccccc2oc1C(C)=NNC1=[NH+]C[C@H](C)N1 ZINC000779792127 628406674 /nfs/dbraw/zinc/40/66/74/628406674.db2.gz JJZCVOXGDPMOIL-JTQLQIEISA-N 1 1 284.363 2.657 20 30 CFEDMO COc1ccc(C=NNc2cc[nH+]cc2)cc1Cl ZINC000779806601 628408069 /nfs/dbraw/zinc/40/80/69/628408069.db2.gz BWKGBHNUNLXMMZ-UHFFFAOYSA-N 1 1 261.712 2.612 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1nc2cc(Cl)ccc2n1C ZINC000779809040 628408636 /nfs/dbraw/zinc/40/86/36/628408636.db2.gz KIJRDFMBOUESTO-UHFFFAOYSA-N 1 1 299.765 2.880 20 30 CFEDMO Clc1ccc2c(c1)CCC2=NNc1cc[nH+]cc1 ZINC000779808514 628408724 /nfs/dbraw/zinc/40/87/24/628408724.db2.gz KXUSNRRKALBQKA-UHFFFAOYSA-N 1 1 257.724 2.919 20 30 CFEDMO Fc1cc(C=NNc2cc[nH+]cc2)c2ncccc2c1 ZINC000779809466 628408766 /nfs/dbraw/zinc/40/87/66/628408766.db2.gz OUMNZSJFWNYSAK-UHFFFAOYSA-N 1 1 266.279 2.637 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2ccccc2)CC1N=Nc1ccncc1 ZINC000779809882 628409097 /nfs/dbraw/zinc/40/90/97/628409097.db2.gz WWDNJPFLKGYXFA-OAHLLOKOSA-N 1 1 294.402 2.813 20 30 CFEDMO Fc1ccc2c(C=NNc3cc[nH+]cc3)c[nH]c2c1 ZINC000779809595 628409420 /nfs/dbraw/zinc/40/94/20/628409420.db2.gz LGLFVWUPDFTITG-UHFFFAOYSA-N 1 1 254.268 2.570 20 30 CFEDMO C(=NNc1cc[nH+]cc1)c1cccn1Cc1cccs1 ZINC000779811351 628409855 /nfs/dbraw/zinc/40/98/55/628409855.db2.gz PVCIMXCKZJCAQM-UHFFFAOYSA-N 1 1 282.372 2.861 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=Nc1ccncc1 ZINC000779812588 628409974 /nfs/dbraw/zinc/40/99/74/628409974.db2.gz SQWVVMFQFOMNAI-OAHLLOKOSA-N 1 1 294.402 2.813 20 30 CFEDMO COC(=O)c1cccc(N=NC2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000779827194 628412070 /nfs/dbraw/zinc/41/20/70/628412070.db2.gz HLXUNIJGIWHKNF-GFCCVEGCSA-N 1 1 289.379 2.601 20 30 CFEDMO C#CCCCCCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000779987755 628425013 /nfs/dbraw/zinc/42/50/13/628425013.db2.gz FXHNOQHQZYXYBP-JKSUJKDBSA-N 1 1 276.424 2.513 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+][C@H](C(=O)N(CC)CC)c1ccccc1 ZINC000852100629 634655470 /nfs/dbraw/zinc/65/54/70/634655470.db2.gz YUUZIOLLOHWXHL-WMZOPIPTSA-N 1 1 286.419 2.988 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@H+](C)[C@H](C)C(C)C)c1 ZINC000780287596 628451358 /nfs/dbraw/zinc/45/13/58/628451358.db2.gz MZAKWFLGOKXTGT-CYBMUJFWSA-N 1 1 258.365 2.583 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1ccn(-c2ccc(F)cc2)n1 ZINC000852103130 634657901 /nfs/dbraw/zinc/65/79/01/634657901.db2.gz YDAQYNNZLXNCQJ-INIZCTEOSA-N 1 1 271.339 2.903 20 30 CFEDMO C#CCCCCCC(=O)NCCNc1cccc(C)[nH+]1 ZINC000780528922 628471881 /nfs/dbraw/zinc/47/18/81/628471881.db2.gz MCUCQPDDXMVCPR-UHFFFAOYSA-N 1 1 273.380 2.502 20 30 CFEDMO CC(C)Cc1ncc(C[NH2+]Cc2ccc(C#N)cn2)s1 ZINC000780556394 628475874 /nfs/dbraw/zinc/47/58/74/628475874.db2.gz YBYLGTIXYOOVFV-UHFFFAOYSA-N 1 1 286.404 2.898 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2cnc(C3CCC3)s2)nc1 ZINC000780557402 628476691 /nfs/dbraw/zinc/47/66/91/628476691.db2.gz WUYGBJZTDDAHOB-UHFFFAOYSA-N 1 1 284.388 2.967 20 30 CFEDMO CCCC[C@@H](ON=C(C)C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000780982047 628510816 /nfs/dbraw/zinc/51/08/16/628510816.db2.gz QUCZBUIHUIJREK-OAHLLOKOSA-N 1 1 297.443 2.510 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000781532376 628557374 /nfs/dbraw/zinc/55/73/74/628557374.db2.gz OZDRDABIOHROOJ-OAHLLOKOSA-N 1 1 295.329 2.902 20 30 CFEDMO C[C@H]1C(=O)N(C[NH+]2CCC(CC#N)CC2)[C@H]1c1ccccc1 ZINC000781572702 628561067 /nfs/dbraw/zinc/56/10/67/628561067.db2.gz UTYVTEDFRARNSG-RHSMWYFYSA-N 1 1 297.402 2.789 20 30 CFEDMO CC[NH+](CC)[C@H](C(=O)NO)c1cccc(C(F)(F)F)c1 ZINC000782169472 628609240 /nfs/dbraw/zinc/60/92/40/628609240.db2.gz MEBVGFQYGPGTHG-NSHDSACASA-N 1 1 290.285 2.594 20 30 CFEDMO COC(=O)c1ccc(N=NC2C[C@@H](C)[N@@H+](C)C2)cc1Cl ZINC000782238495 628618437 /nfs/dbraw/zinc/61/84/37/628618437.db2.gz PLQVDCMIPKEWDI-SECBINFHSA-N 1 1 295.770 2.619 20 30 CFEDMO C[C@H](Cc1[nH]cc[nH+]1)OCCCOc1ccc(C#N)cc1 ZINC000782911297 628663620 /nfs/dbraw/zinc/66/36/20/628663620.db2.gz SXNFXXRUEFNSJN-CYBMUJFWSA-N 1 1 285.347 2.698 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1Cl ZINC000783735958 628739713 /nfs/dbraw/zinc/73/97/13/628739713.db2.gz UPZVOXQKGJUBDO-XJKSGUPXSA-N 1 1 293.794 2.719 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1Cl ZINC000783735958 628739717 /nfs/dbraw/zinc/73/97/17/628739717.db2.gz UPZVOXQKGJUBDO-XJKSGUPXSA-N 1 1 293.794 2.719 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1 ZINC000783738933 628740498 /nfs/dbraw/zinc/74/04/98/628740498.db2.gz ZKTQYRQFPYNMFV-CBBWQLFWSA-N 1 1 288.391 2.975 20 30 CFEDMO COc1cc(C)c(C(C)=NNc2cc[nH+]cc2)cc1C ZINC000783865515 628751443 /nfs/dbraw/zinc/75/14/43/628751443.db2.gz ASQHIWYHUVRVBO-UHFFFAOYSA-N 1 1 269.348 2.965 20 30 CFEDMO CN(C)c1cc[nH+]c(N[C@H]2CCc3cc(C#N)ccc32)n1 ZINC000784832213 628844369 /nfs/dbraw/zinc/84/43/69/628844369.db2.gz KUWMNRVHSPLSPK-AWEZNQCLSA-N 1 1 279.347 2.514 20 30 CFEDMO Cc1nc(F)ccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000785450070 628884157 /nfs/dbraw/zinc/88/41/57/628884157.db2.gz AWLFQQSSRGPWAC-UHFFFAOYSA-N 1 1 273.286 2.830 20 30 CFEDMO C=CCCCCC[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000785676361 628903729 /nfs/dbraw/zinc/90/37/29/628903729.db2.gz RWFHPWOMGGZHQD-AWEZNQCLSA-N 1 1 253.386 2.960 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1 ZINC000785989613 628928207 /nfs/dbraw/zinc/92/82/07/628928207.db2.gz VUUJXMMQDIUMCU-HDMKZQKVSA-N 1 1 287.403 2.680 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCCCCCC ZINC000785997012 628928881 /nfs/dbraw/zinc/92/88/81/628928881.db2.gz JGXSNKOINLCJDV-CQSZACIVSA-N 1 1 252.402 2.723 20 30 CFEDMO CC#CC[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794108 628929162 /nfs/dbraw/zinc/92/91/62/628929162.db2.gz QLTLJPONIXADIF-KRWDZBQOSA-N 1 1 292.423 2.733 20 30 CFEDMO CC(C)(C#N)CC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000786402501 628954455 /nfs/dbraw/zinc/95/44/55/628954455.db2.gz ZJZPWVZRSTWNBL-OAHLLOKOSA-N 1 1 286.375 2.744 20 30 CFEDMO C=C(Cl)COC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000786818956 628980951 /nfs/dbraw/zinc/98/09/51/628980951.db2.gz WRDNVQCBLVLMNT-UHFFFAOYSA-N 1 1 279.767 2.731 20 30 CFEDMO C=CC[N@@H+](Cc1cc(Br)nn1C)C(C)C ZINC000787103904 628993747 /nfs/dbraw/zinc/99/37/47/628993747.db2.gz QYSMJXDHRNOCRO-UHFFFAOYSA-N 1 1 272.190 2.579 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805827141 628993922 /nfs/dbraw/zinc/99/39/22/628993922.db2.gz NREFPSMJPUFURX-INIZCTEOSA-N 1 1 292.423 2.923 20 30 CFEDMO C#CCCCN1CC[N@@H+](CCCC#C)Cc2cc(O)ccc21 ZINC000852252954 634702168 /nfs/dbraw/zinc/70/21/68/634702168.db2.gz NCSZBKNTDRYRDU-UHFFFAOYSA-N 1 1 296.414 2.841 20 30 CFEDMO C#Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000787771671 629033859 /nfs/dbraw/zinc/03/38/59/629033859.db2.gz SKWJUQQRGPSKCH-YOEHRIQHSA-N 1 1 256.393 2.582 20 30 CFEDMO C#Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000787771671 629033862 /nfs/dbraw/zinc/03/38/62/629033862.db2.gz SKWJUQQRGPSKCH-YOEHRIQHSA-N 1 1 256.393 2.582 20 30 CFEDMO C#Cc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000787771671 629033868 /nfs/dbraw/zinc/03/38/68/629033868.db2.gz SKWJUQQRGPSKCH-YOEHRIQHSA-N 1 1 256.393 2.582 20 30 CFEDMO C#Cc1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000787771671 629033869 /nfs/dbraw/zinc/03/38/69/629033869.db2.gz SKWJUQQRGPSKCH-YOEHRIQHSA-N 1 1 256.393 2.582 20 30 CFEDMO CCCCCCCCC(=O)N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000788196725 629049726 /nfs/dbraw/zinc/04/97/26/629049726.db2.gz XABAPNHNMAMJDO-UHFFFAOYSA-N 1 1 292.427 2.809 20 30 CFEDMO Clc1cccc(N2CCCC2)c1C=[NH+]N[C@@H]1CCOC1 ZINC000788456266 629069976 /nfs/dbraw/zinc/06/99/76/629069976.db2.gz LLXLIVSLPGJFRW-GFCCVEGCSA-N 1 1 293.798 2.653 20 30 CFEDMO COCCN(C)c1ccc(C=[NH+]OCc2ccccc2)cn1 ZINC000790153120 629214053 /nfs/dbraw/zinc/21/40/53/629214053.db2.gz DDSUFNWPRFZIDW-UHFFFAOYSA-N 1 1 299.374 2.715 20 30 CFEDMO CCN(C)c1ccc(C=[NH+]Nc2ccc(OC)cc2)cn1 ZINC000790171788 629215751 /nfs/dbraw/zinc/21/57/51/629215751.db2.gz HVKGUIQMZBYZGW-UHFFFAOYSA-N 1 1 284.363 2.992 20 30 CFEDMO CCN(CC)c1ccc(C=[NH+][N-]c2[nH+]ccn2C)cc1F ZINC000790305290 629228897 /nfs/dbraw/zinc/22/88/97/629228897.db2.gz IEJCTXCKQKITKA-UHFFFAOYSA-N 1 1 289.358 2.851 20 30 CFEDMO Cc1ccccc1[C@@H](O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000852319459 634718718 /nfs/dbraw/zinc/71/87/18/634718718.db2.gz NGKKXIDQSVNQSE-HOCLYGCPSA-N 1 1 258.365 2.654 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000852318819 634719094 /nfs/dbraw/zinc/71/90/94/634719094.db2.gz CCFOJIHDNYSDIG-SWLSCSKDSA-N 1 1 278.783 2.999 20 30 CFEDMO Cc1ccccc1[C@H](O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000852319457 634719545 /nfs/dbraw/zinc/71/95/45/634719545.db2.gz NGKKXIDQSVNQSE-GDBMZVCRSA-N 1 1 258.365 2.654 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000852318986 634720160 /nfs/dbraw/zinc/72/01/60/634720160.db2.gz DKXPOCQRAXPYNH-FZMZJTMJSA-N 1 1 280.318 2.624 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](C[C@H](O)c2c(F)cccc2F)C1 ZINC000852318986 634720167 /nfs/dbraw/zinc/72/01/67/634720167.db2.gz DKXPOCQRAXPYNH-FZMZJTMJSA-N 1 1 280.318 2.624 20 30 CFEDMO C[Si](C)(C)C[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852328335 634722520 /nfs/dbraw/zinc/72/25/20/634722520.db2.gz CDHRITZCIIGPLO-HNNXBMFYSA-N 1 1 273.456 2.816 20 30 CFEDMO CC[C@@H](C)C[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852330586 634723242 /nfs/dbraw/zinc/72/32/42/634723242.db2.gz RHVQHRISJBPJHR-GDBMZVCRSA-N 1 1 257.381 2.985 20 30 CFEDMO CC[C@@H](C)C[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852330586 634723245 /nfs/dbraw/zinc/72/32/45/634723245.db2.gz RHVQHRISJBPJHR-GDBMZVCRSA-N 1 1 257.381 2.985 20 30 CFEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000852331070 634723566 /nfs/dbraw/zinc/72/35/66/634723566.db2.gz JFLUJXKFKRKEDE-DFGXFYAUSA-N 1 1 281.403 2.985 20 30 CFEDMO C=C(C)CC[N@@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332395 634723672 /nfs/dbraw/zinc/72/36/72/634723672.db2.gz RJHLHRUHBGIIAU-MRXNPFEDSA-N 1 1 255.365 2.905 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@](C#N)(c2ccccn2)C1 ZINC000852332395 634723676 /nfs/dbraw/zinc/72/36/76/634723676.db2.gz RJHLHRUHBGIIAU-MRXNPFEDSA-N 1 1 255.365 2.905 20 30 CFEDMO C=CC[N@@H+](C[C@H](O)c1ccc(Cl)cc1)[C@@H](C)COC ZINC000852356858 634731433 /nfs/dbraw/zinc/73/14/33/634731433.db2.gz QCLLYIXMOJYNHE-WFASDCNBSA-N 1 1 283.799 2.896 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1cncc2ccccc21 ZINC000792192164 629407538 /nfs/dbraw/zinc/40/75/38/629407538.db2.gz GIWJAQFHVUWQRI-UHFFFAOYSA-N 1 1 256.349 2.869 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852411961 634741622 /nfs/dbraw/zinc/74/16/22/634741622.db2.gz XDDMDKMERHNFKQ-BBRMVZONSA-N 1 1 290.363 2.916 20 30 CFEDMO C=CCCCCC[C@H](C)[NH2+][C@H](C)CN1CCN(C)CC1 ZINC000793522922 629560899 /nfs/dbraw/zinc/56/08/99/629560899.db2.gz BZEGQCIPBZPKGI-DLBZAZTESA-N 1 1 281.488 2.737 20 30 CFEDMO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000852441406 634746707 /nfs/dbraw/zinc/74/67/07/634746707.db2.gz NZMZGFOQRIMKHD-CQSZACIVSA-N 1 1 286.375 2.732 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1cnc(OC)c(Cl)c1)[C@H]1CCCO1 ZINC000793558356 629571171 /nfs/dbraw/zinc/57/11/71/629571171.db2.gz SAEYOLWXRMFHMB-DDTOSNHZSA-N 1 1 294.782 2.575 20 30 CFEDMO N#CC1(COC(=O)c2cnn(-c3cc[nH+]cc3)c2)CCCC1 ZINC000835282881 629595690 /nfs/dbraw/zinc/59/56/90/629595690.db2.gz LBGOLCCSQPLUDF-UHFFFAOYSA-N 1 1 296.330 2.508 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(C)ccc1OC(F)F)[C@@H]1CCCO1 ZINC000794497256 629651258 /nfs/dbraw/zinc/65/12/58/629651258.db2.gz HNVPRTDWYLQAKT-HIFRSBDPSA-N 1 1 295.329 2.867 20 30 CFEDMO COCCCNN=C1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000794541959 629657845 /nfs/dbraw/zinc/65/78/45/629657845.db2.gz WXNRDIUGFJQTLG-OAHLLOKOSA-N 1 1 289.423 2.511 20 30 CFEDMO COCCCNN=C1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000794542491 629657991 /nfs/dbraw/zinc/65/79/91/629657991.db2.gz LAWHIAFFQIMQIE-OAHLLOKOSA-N 1 1 289.423 2.511 20 30 CFEDMO COCCCNN=C1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000794542491 629657996 /nfs/dbraw/zinc/65/79/96/629657996.db2.gz LAWHIAFFQIMQIE-OAHLLOKOSA-N 1 1 289.423 2.511 20 30 CFEDMO FC(F)(F)CCNN=C1CC[N@H+](Cc2ccccc2)C1 ZINC000794552402 629660817 /nfs/dbraw/zinc/66/08/17/629660817.db2.gz MRWIXVVAXGPKAN-UHFFFAOYSA-N 1 1 285.313 2.790 20 30 CFEDMO FC(F)(F)CCNN=C1CC[N@@H+](Cc2ccccc2)C1 ZINC000794552402 629660818 /nfs/dbraw/zinc/66/08/18/629660818.db2.gz MRWIXVVAXGPKAN-UHFFFAOYSA-N 1 1 285.313 2.790 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)C[C@H](O)c1ccc(Br)cc1 ZINC000794574215 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C[N@@H+](CCOC(=O)CC(C)(C)C#N)Cc1ccccc1 ZINC000837676278 631105144 /nfs/dbraw/zinc/10/51/44/631105144.db2.gz LVQXUSHXPRYCLT-UHFFFAOYSA-N 1 1 274.364 2.601 20 30 CFEDMO Cc1ccc2c(c1)C/C(=C/c1c[nH+]c(N(C)C)n1C)C2=O ZINC000840716832 631176589 /nfs/dbraw/zinc/17/65/89/631176589.db2.gz BPNWAKWQFGLCEB-LCYFTJDESA-N 1 1 281.359 2.617 20 30 CFEDMO C#Cc1cccc(NC(=S)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000840808600 631227220 /nfs/dbraw/zinc/22/72/20/631227220.db2.gz MXUOLURZPXUBSB-MQVJKMGUSA-N 1 1 299.443 2.580 20 30 CFEDMO C#Cc1ccc(C[NH+]2CCN(Cc3ccco3)CC2)cc1 ZINC000809540708 631229844 /nfs/dbraw/zinc/22/98/44/631229844.db2.gz GFFOTYDXWBPCQP-UHFFFAOYSA-N 1 1 280.371 2.579 20 30 CFEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccn(C)n2)cc1 ZINC000840817532 631230584 /nfs/dbraw/zinc/23/05/84/631230584.db2.gz VLIFSPVUOKJIOS-KGLIPLIRSA-N 1 1 283.375 2.844 20 30 CFEDMO COc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)CC#N)cc1 ZINC000809571095 631236932 /nfs/dbraw/zinc/23/69/32/631236932.db2.gz JQMSXIHLMGXOFU-NVXWUHKLSA-N 1 1 288.391 2.887 20 30 CFEDMO C#Cc1ccc(C[N@H+](C)C2(C(=O)OC)CCCCC2)cc1 ZINC000809575249 631238716 /nfs/dbraw/zinc/23/87/16/631238716.db2.gz WYPQNINRZVVYDX-UHFFFAOYSA-N 1 1 285.387 2.976 20 30 CFEDMO C#Cc1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000809580496 631239629 /nfs/dbraw/zinc/23/96/29/631239629.db2.gz BDLRDPCLHKYXCM-SFHVURJKSA-N 1 1 270.420 2.974 20 30 CFEDMO C#CC[N@H+](CC#CC)C/C=C/c1ccc(F)c(F)c1 ZINC000809579954 631239839 /nfs/dbraw/zinc/23/98/39/631239839.db2.gz INNHGWCJHBSREN-VOTSOKGWSA-N 1 1 259.299 2.937 20 30 CFEDMO C#CC[N@@H+](CC#CC)C/C=C/c1ccc(F)c(F)c1 ZINC000809579954 631239845 /nfs/dbraw/zinc/23/98/45/631239845.db2.gz INNHGWCJHBSREN-VOTSOKGWSA-N 1 1 259.299 2.937 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)cc1 ZINC000809583369 631241193 /nfs/dbraw/zinc/24/11/93/631241193.db2.gz GNVYOIOWJKXRQL-KRWDZBQOSA-N 1 1 278.355 2.716 20 30 CFEDMO C#Cc1ccc(C[NH2+][C@@H](C)c2nnc3n2CCCCC3)cc1 ZINC000809604240 631245098 /nfs/dbraw/zinc/24/50/98/631245098.db2.gz HXMJOIQUTNCCPJ-AWEZNQCLSA-N 1 1 294.402 2.837 20 30 CFEDMO C#Cc1ccc(C[NH2+]Cc2csc(CC)n2)cc1 ZINC000809614244 631246612 /nfs/dbraw/zinc/24/66/12/631246612.db2.gz LIOYAJYAMLWLBV-UHFFFAOYSA-N 1 1 256.374 2.977 20 30 CFEDMO C#Cc1ccc(C[N@@H+]([C@H](CC)C(=O)OCC)C2CC2)cc1 ZINC000809652965 631256829 /nfs/dbraw/zinc/25/68/29/631256829.db2.gz NRUQJKKHWXFBOL-QGZVFWFLSA-N 1 1 285.387 2.974 20 30 CFEDMO C#Cc1ccc(C[N@H+]([C@H](CC)C(=O)OCC)C2CC2)cc1 ZINC000809652965 631256833 /nfs/dbraw/zinc/25/68/33/631256833.db2.gz NRUQJKKHWXFBOL-QGZVFWFLSA-N 1 1 285.387 2.974 20 30 CFEDMO C#C[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C(C)C ZINC000809685297 631261620 /nfs/dbraw/zinc/26/16/20/631261620.db2.gz LZECPGYAHYULDG-NSHDSACASA-N 1 1 255.720 2.932 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)cc1 ZINC000809697179 631266650 /nfs/dbraw/zinc/26/66/50/631266650.db2.gz DCEBJLLFNNDQHR-HUUCEWRRSA-N 1 1 297.320 2.661 20 30 CFEDMO Cc1cc(O)c(C[NH2+]CC2(C#N)CC2)c(Cl)c1 ZINC000840941941 631273369 /nfs/dbraw/zinc/27/33/69/631273369.db2.gz FHAJGTIAGUDWJO-UHFFFAOYSA-N 1 1 250.729 2.747 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000840954129 631281578 /nfs/dbraw/zinc/28/15/78/631281578.db2.gz GYGZZRAAAGAOOH-GOSISDBHSA-N 1 1 285.387 2.700 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000840954129 631281584 /nfs/dbraw/zinc/28/15/84/631281584.db2.gz GYGZZRAAAGAOOH-GOSISDBHSA-N 1 1 285.387 2.700 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cn(-c2ccccc2C)nn1)C(C)(C)C ZINC000809781142 631288199 /nfs/dbraw/zinc/28/81/99/631288199.db2.gz HVQZDYFEOCJLKB-MRXNPFEDSA-N 1 1 282.391 2.713 20 30 CFEDMO C#CCOc1ccc(CN[C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000810173214 631338918 /nfs/dbraw/zinc/33/89/18/631338918.db2.gz ZUMXIODCABZVIA-OAHLLOKOSA-N 1 1 274.408 2.517 20 30 CFEDMO C#CCOc1ccc(CN[C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000810173214 631338924 /nfs/dbraw/zinc/33/89/24/631338924.db2.gz ZUMXIODCABZVIA-OAHLLOKOSA-N 1 1 274.408 2.517 20 30 CFEDMO CC(C)[N@@H+](C)C[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000810172257 631339378 /nfs/dbraw/zinc/33/93/78/631339378.db2.gz FSLDCLKETITBEB-HUUCEWRRSA-N 1 1 289.423 2.796 20 30 CFEDMO CC(C)[N@H+](C)C[C@@H](C)NCc1ccc(O[C@H](C)C#N)cc1 ZINC000810172257 631339381 /nfs/dbraw/zinc/33/93/81/631339381.db2.gz FSLDCLKETITBEB-HUUCEWRRSA-N 1 1 289.423 2.796 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)c1ccccc1CC#N ZINC000840198016 631360520 /nfs/dbraw/zinc/36/05/20/631360520.db2.gz ZTWDHDIEPPOBIT-OAHLLOKOSA-N 1 1 286.375 2.784 20 30 CFEDMO C#CCC(C)(C)C(=O)O[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000810588993 631397049 /nfs/dbraw/zinc/39/70/49/631397049.db2.gz XKSRKVOZNVQQSY-INIZCTEOSA-N 1 1 285.387 2.854 20 30 CFEDMO Cc1[nH+]ccn1C[C@H](C)OC(=O)CCCCCC#N ZINC000810612210 631402847 /nfs/dbraw/zinc/40/28/47/631402847.db2.gz AXCVEUJONUEBRX-LBPRGKRZSA-N 1 1 263.341 2.597 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)O[C@@H](C)Cn1cc[nH+]c1C ZINC000810611939 631403747 /nfs/dbraw/zinc/40/37/47/631403747.db2.gz LFCWWJVRJFJQKQ-NEPJUHHUSA-N 1 1 250.342 2.726 20 30 CFEDMO CCCCCCCCC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000841455936 631408318 /nfs/dbraw/zinc/40/83/18/631408318.db2.gz XZWBZRXLUBOFTQ-JKSUJKDBSA-N 1 1 298.471 2.651 20 30 CFEDMO C[C@H](OC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(C)(C)C#N ZINC000810640455 631414517 /nfs/dbraw/zinc/41/45/17/631414517.db2.gz XTVPWTYPSGPNCY-XHDPSFHLSA-N 1 1 284.375 2.680 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)OCC2(C#N)CCCC2)C1 ZINC000810660226 631421014 /nfs/dbraw/zinc/42/10/14/631421014.db2.gz LNYIFKVLZTWGFP-MRXNPFEDSA-N 1 1 296.386 2.826 20 30 CFEDMO CCC(=NNC1=[NH+]CCN1)c1ccc2cc(OC)ccc2c1 ZINC000841661600 631447100 /nfs/dbraw/zinc/44/71/00/631447100.db2.gz MULKDTCSAOJGRT-UHFFFAOYSA-N 1 1 296.374 2.511 20 30 CFEDMO C[N@@H+](Cn1cccc(C#N)c1=O)[C@H]1CCC[C@H]1C(C)(C)C ZINC000841688748 631450978 /nfs/dbraw/zinc/45/09/78/631450978.db2.gz GRSJDBCONUYXNN-CABCVRRESA-N 1 1 287.407 2.824 20 30 CFEDMO C[C@@H]1[C@H](C)C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCCC3)[C@H]1C ZINC000841688155 631451781 /nfs/dbraw/zinc/45/17/81/631451781.db2.gz CMBBHPHZDMXVMY-MCIONIFRSA-N 1 1 299.418 2.533 20 30 CFEDMO CCOCOc1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000841899216 631491302 /nfs/dbraw/zinc/49/13/02/631491302.db2.gz UQKBUVSDIDYZTA-UHFFFAOYSA-N 1 1 274.364 2.843 20 30 CFEDMO C[N@H+]1CCCC[C@H]1CCOC(=O)Cc1ccc(C#N)cc1 ZINC000840222295 631505427 /nfs/dbraw/zinc/50/54/27/631505427.db2.gz YYZGVPHGXMFRQV-INIZCTEOSA-N 1 1 286.375 2.518 20 30 CFEDMO C[C@@H](c1cccnc1)[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842153493 631554903 /nfs/dbraw/zinc/55/49/03/631554903.db2.gz NWUUHGUWFYIUBU-SUMWQHHRSA-N 1 1 281.359 2.680 20 30 CFEDMO C[C@H](CC#N)NN=C1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000811645468 631591552 /nfs/dbraw/zinc/59/15/52/631591552.db2.gz NMAZETUSFBGTJO-ZIAGYGMSSA-N 1 1 270.380 2.529 20 30 CFEDMO C[C@H](CC#N)NN=C1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000811645468 631591556 /nfs/dbraw/zinc/59/15/56/631591556.db2.gz NMAZETUSFBGTJO-ZIAGYGMSSA-N 1 1 270.380 2.529 20 30 CFEDMO CC[C@H](O)CNN=C1CCCC[C@@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000811653929 631594940 /nfs/dbraw/zinc/59/49/40/631594940.db2.gz PYFLBKUYKBKWLM-IVSAIRAKSA-N 1 1 295.471 2.623 20 30 CFEDMO C[C@@H](COc1ccccc1)NN=C1CC[N@@H+](C)[C@@H](C)C1 ZINC000811667309 631602147 /nfs/dbraw/zinc/60/21/47/631602147.db2.gz RRYIFXYGOPGHGZ-KBPBESRZSA-N 1 1 275.396 2.514 20 30 CFEDMO CCN(C)c1ccc(C=[NH+]OC/C=C\Cl)cn1 ZINC000811669446 631603527 /nfs/dbraw/zinc/60/35/27/631603527.db2.gz PBENYWVUFXVYRO-AUZNDJKCSA-N 1 1 253.733 2.641 20 30 CFEDMO Cc1nn(-c2ccccc2)c(N)c1C=[NH+]OC/C=C/Cl ZINC000811670432 631603949 /nfs/dbraw/zinc/60/39/49/631603949.db2.gz SAAORZFKDFNGHS-HOZPUSKVSA-N 1 1 290.754 2.866 20 30 CFEDMO C[C@H](CO)N(C)N=C1CCCC[C@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000842542028 631658930 /nfs/dbraw/zinc/65/89/30/631658930.db2.gz WVHSUETUONJUHQ-JYYAWHABSA-N 1 1 295.471 2.576 20 30 CFEDMO C#CCON=C1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000812233022 631672905 /nfs/dbraw/zinc/67/29/05/631672905.db2.gz LFSPGNFKABCJEX-AWEZNQCLSA-N 1 1 256.349 2.534 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](CN2CC(CC)(CC)OC2=O)C1 ZINC000842629442 631685059 /nfs/dbraw/zinc/68/50/59/631685059.db2.gz MZAITKSAYXDFLF-AWEZNQCLSA-N 1 1 278.396 2.690 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cn2nccc2-c2cccnc2)C1 ZINC000842630048 631685408 /nfs/dbraw/zinc/68/54/08/631685408.db2.gz WFNMLXQMZAYCFJ-HNNXBMFYSA-N 1 1 280.375 2.638 20 30 CFEDMO C=CCc1cc(C[N@@H+](CC)C[C@@H](C)OC)c(O)c(OC)c1 ZINC000812303969 631687495 /nfs/dbraw/zinc/68/74/95/631687495.db2.gz UOPLGDPJBLDCSJ-CYBMUJFWSA-N 1 1 293.407 2.986 20 30 CFEDMO C#CC1CC[NH+](CN2C[C@H](CC(C)(C)C)OC2=O)CC1 ZINC000842634646 631689034 /nfs/dbraw/zinc/68/90/34/631689034.db2.gz ZDXONOOJFVYKOQ-AWEZNQCLSA-N 1 1 278.396 2.546 20 30 CFEDMO CCCCCCCC(=O)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000812334272 631691847 /nfs/dbraw/zinc/69/18/47/631691847.db2.gz MFCRPAFVBUGACJ-LSDHHAIUSA-N 1 1 266.429 2.757 20 30 CFEDMO C=CCCCCCCCNC(=O)N1CC[NH+](CC)CC1 ZINC000812494084 631726971 /nfs/dbraw/zinc/72/69/71/631726971.db2.gz CZXSEFPRZPSXTA-UHFFFAOYSA-N 1 1 281.444 2.860 20 30 CFEDMO Cc1oc(C#N)cc1C(=O)OC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000842833229 631756837 /nfs/dbraw/zinc/75/68/37/631756837.db2.gz JCJJOXXBJCMEDW-ZDUSSCGKSA-N 1 1 290.363 2.737 20 30 CFEDMO CC(C)[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@H]1CCOC1 ZINC000812776664 631770797 /nfs/dbraw/zinc/77/07/97/631770797.db2.gz NEQUUTWFRZGQAV-HOCLYGCPSA-N 1 1 288.391 2.977 20 30 CFEDMO CC[N@@H+](Cc1ccc(O[C@@H](C)C#N)cc1)[C@H]1CCOC1 ZINC000812780527 631773652 /nfs/dbraw/zinc/77/36/52/631773652.db2.gz HQHFPPSJCXDVHQ-ZFWWWQNUSA-N 1 1 274.364 2.588 20 30 CFEDMO C#CC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)C1CCCC1 ZINC000155725268 650030274 /nfs/dbraw/zinc/03/02/74/650030274.db2.gz QXXJZWGHADRFSZ-UHFFFAOYSA-N 1 1 292.329 2.781 20 30 CFEDMO C#CC[N@H+](CC(=O)Nc1ccc(F)c(F)c1)C1CCCC1 ZINC000155725268 650030277 /nfs/dbraw/zinc/03/02/77/650030277.db2.gz QXXJZWGHADRFSZ-UHFFFAOYSA-N 1 1 292.329 2.781 20 30 CFEDMO C#CC[N@H+](CCC(=O)N1CCc2ccccc21)C1CCCC1 ZINC000155768078 650030964 /nfs/dbraw/zinc/03/09/64/650030964.db2.gz VVWSNBWTPYLWTH-UHFFFAOYSA-N 1 1 296.414 2.844 20 30 CFEDMO C#CC[N@H+](CC(=O)N(CCC)CCC)C1CCCC1 ZINC000155839038 650034062 /nfs/dbraw/zinc/03/40/62/650034062.db2.gz LEUHYXZZCXADBD-UHFFFAOYSA-N 1 1 264.413 2.513 20 30 CFEDMO CC(C)CN(CCC#N)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000813426115 631919807 /nfs/dbraw/zinc/91/98/07/631919807.db2.gz YXUOETXFEKRSKR-INIZCTEOSA-N 1 1 297.418 2.597 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000843424227 631953759 /nfs/dbraw/zinc/95/37/59/631953759.db2.gz QVJXIXVFEFYLBF-AWEZNQCLSA-N 1 1 255.361 2.857 20 30 CFEDMO C#CC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000843426975 631954422 /nfs/dbraw/zinc/95/44/22/631954422.db2.gz PJOUHKQGNRMSAR-UHFFFAOYSA-N 1 1 273.767 2.833 20 30 CFEDMO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000843425140 631954480 /nfs/dbraw/zinc/95/44/80/631954480.db2.gz FPJMFEPLQHKPKV-SFHVURJKSA-N 1 1 299.418 2.527 20 30 CFEDMO C=C(Cl)C[NH2+]Cc1cnc(-c2ccccc2OC)nc1 ZINC000813772392 631957407 /nfs/dbraw/zinc/95/74/07/631957407.db2.gz FDOJIHSMYLTWIL-UHFFFAOYSA-N 1 1 289.766 2.994 20 30 CFEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N(CCC#N)CC(C)C ZINC000843777006 632053556 /nfs/dbraw/zinc/05/35/56/632053556.db2.gz YKONDHQLIDMTJK-CQSZACIVSA-N 1 1 290.411 2.795 20 30 CFEDMO C#C[C@H](NC(=O)C[C@H](C)n1cc[nH+]c1CC)c1ccccc1 ZINC000843965871 632085508 /nfs/dbraw/zinc/08/55/08/632085508.db2.gz UAEWWJUZKDIJGA-HOCLYGCPSA-N 1 1 295.386 2.887 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000843992271 632089227 /nfs/dbraw/zinc/08/92/27/632089227.db2.gz CIMZVMQAPAYKJN-DLBZAZTESA-N 1 1 288.435 2.559 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C1CCC1)C1CCCC1 ZINC000843992271 632089230 /nfs/dbraw/zinc/08/92/30/632089230.db2.gz CIMZVMQAPAYKJN-DLBZAZTESA-N 1 1 288.435 2.559 20 30 CFEDMO CCc1ccc([C@H]2CC[N@@H+](CCO[C@H](C)C#N)C2)cc1 ZINC000814642797 632101118 /nfs/dbraw/zinc/10/11/18/632101118.db2.gz RUAZYUQUSUPUBW-PBHICJAKSA-N 1 1 272.392 2.967 20 30 CFEDMO Cc1nonc1C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000814660679 632105150 /nfs/dbraw/zinc/10/51/50/632105150.db2.gz YPIFMQAXFPGSPD-AWEZNQCLSA-N 1 1 270.336 2.903 20 30 CFEDMO C[NH+]1CCN(N=C2CCC(c3ccc(O)cc3)CC2)CC1 ZINC000814684859 632107814 /nfs/dbraw/zinc/10/78/14/632107814.db2.gz DGPRNJDZSIUVLL-UHFFFAOYSA-N 1 1 287.407 2.653 20 30 CFEDMO CC(=NN1CC[NH+](C)CC1)c1cccc(C2CC2)c1 ZINC000814685057 632107870 /nfs/dbraw/zinc/10/78/70/632107870.db2.gz HPRZEQZZXWSBEG-UHFFFAOYSA-N 1 1 257.381 2.535 20 30 CFEDMO C[C@@H]1C(N=Nc2cnccn2)CCC[N@H+]1Cc1ccccc1 ZINC000814797067 632125170 /nfs/dbraw/zinc/12/51/70/632125170.db2.gz CZEJSGLFGOLTSW-CQSZACIVSA-N 1 1 295.390 2.929 20 30 CFEDMO C#CC[C@@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000844147535 632127079 /nfs/dbraw/zinc/12/70/79/632127079.db2.gz DLHQNAINCZGMHK-CVEARBPZSA-N 1 1 276.424 2.513 20 30 CFEDMO COc1ccc(CN[NH+]=C(C)c2cc(N)ccc2F)cc1 ZINC000814810543 632129505 /nfs/dbraw/zinc/12/95/05/632129505.db2.gz BATPCJCBGPTTFT-UHFFFAOYSA-N 1 1 287.338 2.930 20 30 CFEDMO C[C@@H](CC#N)NN=C1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000814881599 632146625 /nfs/dbraw/zinc/14/66/25/632146625.db2.gz RWISUDZBOYYHNG-LSDHHAIUSA-N 1 1 284.407 2.919 20 30 CFEDMO C[C@@H](CC#N)NN=C1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000814881599 632146630 /nfs/dbraw/zinc/14/66/30/632146630.db2.gz RWISUDZBOYYHNG-LSDHHAIUSA-N 1 1 284.407 2.919 20 30 CFEDMO CC(=[NH+]n1cc(Br)cn1)[C@@H]1CC1(C)C ZINC000814884539 632148252 /nfs/dbraw/zinc/14/82/52/632148252.db2.gz MEGXEXGRYQGFED-VIFPVBQESA-N 1 1 256.147 2.916 20 30 CFEDMO CCC(=[NH+]OCc1cccnc1)c1cccc(N)c1 ZINC000814884090 632148384 /nfs/dbraw/zinc/14/83/84/632148384.db2.gz NVPBOQMVNXDMDM-UHFFFAOYSA-N 1 1 255.321 2.995 20 30 CFEDMO COC[C@H](C)NN=C1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000814895616 632152649 /nfs/dbraw/zinc/15/26/49/632152649.db2.gz PCHMXUNMAGANRA-LSDHHAIUSA-N 1 1 289.423 2.651 20 30 CFEDMO COC[C@H](C)NN=C1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000814895616 632152654 /nfs/dbraw/zinc/15/26/54/632152654.db2.gz PCHMXUNMAGANRA-LSDHHAIUSA-N 1 1 289.423 2.651 20 30 CFEDMO COCC(=NNc1cc[nH+]cc1)c1ccc(Cl)cc1 ZINC000814899994 632155127 /nfs/dbraw/zinc/15/51/27/632155127.db2.gz YWXYFDWJOKWJIM-UHFFFAOYSA-N 1 1 275.739 2.620 20 30 CFEDMO CCOCCO[NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000814907657 632159345 /nfs/dbraw/zinc/15/93/45/632159345.db2.gz SQITZTAIUIDHIE-UHFFFAOYSA-N 1 1 256.733 2.699 20 30 CFEDMO C#CC[N@@H+](C)CCCNc1nc(-c2ccccc2)ns1 ZINC000814929353 632169653 /nfs/dbraw/zinc/16/96/53/632169653.db2.gz JCRHTVFPZVLPJT-UHFFFAOYSA-N 1 1 286.404 2.572 20 30 CFEDMO COCCCO[NH+]=C(C)c1ccc(Cl)c(N)c1 ZINC000814931542 632170032 /nfs/dbraw/zinc/17/00/32/632170032.db2.gz WUWUEPKYSQTDHO-UHFFFAOYSA-N 1 1 256.733 2.699 20 30 CFEDMO N#CCCC[N@@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844372648 632182790 /nfs/dbraw/zinc/18/27/90/632182790.db2.gz BGJJLCPSRVLQFM-OAHLLOKOSA-N 1 1 278.783 2.927 20 30 CFEDMO CC(C)O[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000844380775 632186882 /nfs/dbraw/zinc/18/68/82/632186882.db2.gz ZEKCNQRNEUMIEU-QGZVFWFLSA-N 1 1 288.391 2.978 20 30 CFEDMO C#CCNC(=O)CC[N@H+](CCCC)[C@@H](C)c1ccccc1 ZINC000815026675 632187978 /nfs/dbraw/zinc/18/79/78/632187978.db2.gz JTCRQVYICNPCNL-INIZCTEOSA-N 1 1 286.419 2.989 20 30 CFEDMO COc1ccc(N2CCC[N@H+]([C@H]3CC[C@H](C#N)C3)CC2)cc1 ZINC000815021344 632188701 /nfs/dbraw/zinc/18/87/01/632188701.db2.gz FEXAOPNIFGCLDY-RDJZCZTQSA-N 1 1 299.418 2.900 20 30 CFEDMO C#CCNC(=O)CC[N@H+](CCC)[C@H](CC)c1ccccc1 ZINC000815026861 632188771 /nfs/dbraw/zinc/18/87/71/632188771.db2.gz VVRQRVQUBUPCRS-QGZVFWFLSA-N 1 1 286.419 2.989 20 30 CFEDMO C=CCOCC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000815047754 632190605 /nfs/dbraw/zinc/19/06/05/632190605.db2.gz HVYIEHXZTVWAGJ-OKILXGFUSA-N 1 1 298.427 2.519 20 30 CFEDMO C=CCOCC[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000815047754 632190611 /nfs/dbraw/zinc/19/06/11/632190611.db2.gz HVYIEHXZTVWAGJ-OKILXGFUSA-N 1 1 298.427 2.519 20 30 CFEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@@H+]1CCOCCC#N ZINC000815047942 632190776 /nfs/dbraw/zinc/19/07/76/632190776.db2.gz RDOFWFUZVUZQDL-INMHGKMJSA-N 1 1 288.391 2.767 20 30 CFEDMO C[C@@H]1CO[C@H](c2ccccc2)[C@@H](C)[N@H+]1CCOCCC#N ZINC000815047942 632190779 /nfs/dbraw/zinc/19/07/79/632190779.db2.gz RDOFWFUZVUZQDL-INMHGKMJSA-N 1 1 288.391 2.767 20 30 CFEDMO C#CCNC(=O)CC[N@@H+](CC1CCC1)[C@@H](C)c1ccccc1 ZINC000815052884 632191380 /nfs/dbraw/zinc/19/13/80/632191380.db2.gz FRSJLUVCBDMDGF-INIZCTEOSA-N 1 1 298.430 2.989 20 30 CFEDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)[C@@H]1CC[C@H](C#N)C1 ZINC000815051395 632192332 /nfs/dbraw/zinc/19/23/32/632192332.db2.gz RKBFOPTUIJFGMC-QWHCGFSZSA-N 1 1 281.400 2.525 20 30 CFEDMO COc1ccc(N(C)CC[N@@H+](C)[C@@H](C)CCC#N)cc1 ZINC000844400718 632195052 /nfs/dbraw/zinc/19/50/52/632195052.db2.gz DEWYQMJYEXOGMQ-AWEZNQCLSA-N 1 1 275.396 2.755 20 30 CFEDMO CC[N@H+](Cc1ccc(F)cc1C#N)[C@H]1CCCOC1 ZINC000844404085 632195877 /nfs/dbraw/zinc/19/58/77/632195877.db2.gz KPTUVTDTRJKYMN-HNNXBMFYSA-N 1 1 262.328 2.698 20 30 CFEDMO CC[N@@H+](Cc1ccc(F)cc1C#N)[C@H]1CCCOC1 ZINC000844404085 632195884 /nfs/dbraw/zinc/19/58/84/632195884.db2.gz KPTUVTDTRJKYMN-HNNXBMFYSA-N 1 1 262.328 2.698 20 30 CFEDMO N#C[C@H]1CC[C@@H]([NH+]2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC000815093315 632200557 /nfs/dbraw/zinc/20/05/57/632200557.db2.gz HNLAZWALQWGHGC-GXSJLCMTSA-N 1 1 274.286 2.522 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)C[C@@H](O)c1cc2ccccc2o1 ZINC000815102128 632202222 /nfs/dbraw/zinc/20/22/22/632202222.db2.gz FGHMLPBTHYDFCG-CYBMUJFWSA-N 1 1 257.333 2.810 20 30 CFEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000815116363 632204696 /nfs/dbraw/zinc/20/46/96/632204696.db2.gz KNKFMSVQQHRUSQ-LJQANCHMSA-N 1 1 298.430 2.570 20 30 CFEDMO C#CCNC(=O)CC[N@H+](C)Cc1oc2c(cccc2C)c1C ZINC000844422699 632204993 /nfs/dbraw/zinc/20/49/93/632204993.db2.gz SRDSLQFXIZLDHO-UHFFFAOYSA-N 1 1 298.386 2.621 20 30 CFEDMO C=CCOCC[N@H+](CC)[C@H](C)[C@H](O)c1ccccc1 ZINC000815119009 632205308 /nfs/dbraw/zinc/20/53/08/632205308.db2.gz PDFLDGHPQFXVDT-ZBFHGGJFSA-N 1 1 263.381 2.633 20 30 CFEDMO N#CCSCCC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844440196 632213240 /nfs/dbraw/zinc/21/32/40/632213240.db2.gz RKSWOIOIANQZSI-NSHDSACASA-N 1 1 260.353 2.754 20 30 CFEDMO CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000815278813 632242119 /nfs/dbraw/zinc/24/21/19/632242119.db2.gz WXDOMWAQRFSSLM-CQSZACIVSA-N 1 1 280.412 2.589 20 30 CFEDMO C=C[C@H](C)ON=C1CC[N@H+](CCCOCC)C[C@H]1C ZINC000844621071 632266311 /nfs/dbraw/zinc/26/63/11/632266311.db2.gz CTVAJCFFCKPWFU-KGLIPLIRSA-N 1 1 268.401 2.702 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@@H](CC)c1cc(C)ccc1OC ZINC000815652665 632306482 /nfs/dbraw/zinc/30/64/82/632306482.db2.gz MKKHWFJXDBKDCQ-KRWDZBQOSA-N 1 1 288.435 2.999 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@@H](CC)c1cc(C)ccc1OC ZINC000815652665 632306485 /nfs/dbraw/zinc/30/64/85/632306485.db2.gz MKKHWFJXDBKDCQ-KRWDZBQOSA-N 1 1 288.435 2.999 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccn(C(C)C)c1C ZINC000815939917 632337883 /nfs/dbraw/zinc/33/78/83/632337883.db2.gz FBIGVCOLTFZXMA-OAHLLOKOSA-N 1 1 288.391 2.632 20 30 CFEDMO C#CC[N@H+](Cc1ccc2c(c1)oc(=O)n2C)C1CCCCC1 ZINC000816497737 632471375 /nfs/dbraw/zinc/47/13/75/632471375.db2.gz PWZVGGTUALICBJ-UHFFFAOYSA-N 1 1 298.386 2.899 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000816632744 632497164 /nfs/dbraw/zinc/49/71/64/632497164.db2.gz WTPCGCMRPYEEAZ-CYBMUJFWSA-N 1 1 271.364 2.959 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000816632744 632497166 /nfs/dbraw/zinc/49/71/66/632497166.db2.gz WTPCGCMRPYEEAZ-CYBMUJFWSA-N 1 1 271.364 2.959 20 30 CFEDMO C=C[C@@H](C)ONC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000845638738 632498657 /nfs/dbraw/zinc/49/86/57/632498657.db2.gz MEYWJNIHIAEYSW-QLFBSQMISA-N 1 1 297.443 2.550 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000816666704 632508533 /nfs/dbraw/zinc/50/85/33/632508533.db2.gz UQHNXJLMCDDZJW-RTBURBONSA-N 1 1 297.398 2.842 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1 ZINC000816666704 632508536 /nfs/dbraw/zinc/50/85/36/632508536.db2.gz UQHNXJLMCDDZJW-RTBURBONSA-N 1 1 297.398 2.842 20 30 CFEDMO C#CCCCCC(=O)OC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000845732526 632539532 /nfs/dbraw/zinc/53/95/32/632539532.db2.gz QSAWSGLTMBDNIM-CYBMUJFWSA-N 1 1 251.370 2.596 20 30 CFEDMO C=C(C)[C@H](CC(=O)OC[C@H]1CC[N@H+]1C(C)(C)C)OCC ZINC000845733919 632540662 /nfs/dbraw/zinc/54/06/62/632540662.db2.gz MVNAZHBOMRCGCS-KGLIPLIRSA-N 1 1 283.412 2.774 20 30 CFEDMO Cc1cc(C#N)ccc1C(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845735211 632541487 /nfs/dbraw/zinc/54/14/87/632541487.db2.gz VJEVSCIKUWTXAX-CQSZACIVSA-N 1 1 286.375 2.896 20 30 CFEDMO C=CCCCCCCNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000817167442 632566933 /nfs/dbraw/zinc/56/69/33/632566933.db2.gz NIZBRFAJQRXLNW-OAHLLOKOSA-N 1 1 281.444 2.859 20 30 CFEDMO COC(=O)C1(C#N)CC[NH+](Cc2cccc(C3CC3)c2)CC1 ZINC000817410255 632623667 /nfs/dbraw/zinc/62/36/67/632623667.db2.gz WWYAYVIXTQTRFF-UHFFFAOYSA-N 1 1 298.386 2.843 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)o1 ZINC000846109178 632633954 /nfs/dbraw/zinc/63/39/54/632633954.db2.gz SVTLRSFPFKOPRH-GFCCVEGCSA-N 1 1 252.264 2.772 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H](F)C2)cc1 ZINC000846121427 632640186 /nfs/dbraw/zinc/64/01/86/632640186.db2.gz ZONAXNGJWQEGJO-GXTWGEPZSA-N 1 1 262.328 2.911 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@H](F)C2)cc1 ZINC000846121427 632640192 /nfs/dbraw/zinc/64/01/92/632640192.db2.gz ZONAXNGJWQEGJO-GXTWGEPZSA-N 1 1 262.328 2.911 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1ccncc1Cl)[C@H]1CCCO1 ZINC000817583688 632670544 /nfs/dbraw/zinc/67/05/44/632670544.db2.gz GTAZPJLGRDIBAO-DDTOSNHZSA-N 1 1 264.756 2.566 20 30 CFEDMO C=CCc1cc(CN[C@@H](C)C[C@@H](C)[NH3+])cc(OC)c1OC ZINC000817908723 632730035 /nfs/dbraw/zinc/73/00/35/632730035.db2.gz IAQRNTBVAZWKGQ-OLZOCXBDSA-N 1 1 292.423 2.648 20 30 CFEDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OCC#N)cc1 ZINC000817919001 632734408 /nfs/dbraw/zinc/73/44/08/632734408.db2.gz ONYBGZRAKVIWNF-SLHHOWHOSA-N 1 1 285.391 2.523 20 30 CFEDMO C=C(Cl)COc1ccc([C@H](C)NCC2C[NH2+]C2)cc1 ZINC000817966039 632764525 /nfs/dbraw/zinc/76/45/25/632764525.db2.gz ZMZWTTFZVXEWBT-LBPRGKRZSA-N 1 1 280.799 2.688 20 30 CFEDMO COc1ccc(O)c(/C=N/[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000846755580 632787037 /nfs/dbraw/zinc/78/70/37/632787037.db2.gz CDZNPVFCHCUNSN-SUBKYJBBSA-N 1 1 288.391 2.837 20 30 CFEDMO Oc1cccc(/C=N/[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1O ZINC000846756758 632787894 /nfs/dbraw/zinc/78/78/94/632787894.db2.gz LJIAMMLWPANRMZ-HBPRWMASSA-N 1 1 274.364 2.534 20 30 CFEDMO COc1cccc(/C=N\[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1O ZINC000846756230 632787972 /nfs/dbraw/zinc/78/79/72/632787972.db2.gz IBKRMPLOLBDJFQ-HXPPYDANSA-N 1 1 288.391 2.837 20 30 CFEDMO C=CC[N@H+](Cc1cccs1)C[C@@H]1CN(CC)C(=O)O1 ZINC000846764572 632790502 /nfs/dbraw/zinc/79/05/02/632790502.db2.gz UDPGGRBIZQLEPT-GFCCVEGCSA-N 1 1 280.393 2.577 20 30 CFEDMO C=CC[N@@H+](Cc1cccs1)C[C@@H]1CN(CC)C(=O)O1 ZINC000846764572 632790506 /nfs/dbraw/zinc/79/05/06/632790506.db2.gz UDPGGRBIZQLEPT-GFCCVEGCSA-N 1 1 280.393 2.577 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H]1CN(CC)C(=O)O1 ZINC000846765105 632790944 /nfs/dbraw/zinc/79/09/44/632790944.db2.gz KXTNBHKLENGUSU-OAHLLOKOSA-N 1 1 274.364 2.515 20 30 CFEDMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000818347261 632836568 /nfs/dbraw/zinc/83/65/68/632836568.db2.gz OQWSWMKMXHWZLT-PGUXBMHVSA-N 1 1 265.328 2.773 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)C[C@H](C)C1CCCCC1 ZINC000818599271 632876383 /nfs/dbraw/zinc/87/63/83/632876383.db2.gz HOTFUDHUITZOEP-HNNXBMFYSA-N 1 1 278.440 2.664 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000818606617 632877685 /nfs/dbraw/zinc/87/76/85/632877685.db2.gz ZPJOPJZBZMNNQI-HNNXBMFYSA-N 1 1 278.440 2.664 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](CC)CC1CCCC1 ZINC000818615711 632879528 /nfs/dbraw/zinc/87/95/28/632879528.db2.gz USMWDFFDQUCXBI-INIZCTEOSA-N 1 1 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/nfs/dbraw/zinc/56/69/20/637566920.db2.gz WMPZIFCIFMCMND-VIFPVBQESA-N 1 1 287.392 2.784 20 30 CFEDMO FC(F)(F)C(F)(F)CNN=C1CCC[N@H+]2CCCC[C@H]12 ZINC000863183329 637582421 /nfs/dbraw/zinc/58/24/21/637582421.db2.gz VKFNRKJGYLSQEN-SNVBAGLBSA-N 1 1 299.287 2.778 20 30 CFEDMO C#CC[N@H+](CCOCC(F)F)[C@@H]1CCc2ccccc21 ZINC000188875736 650349064 /nfs/dbraw/zinc/34/90/64/650349064.db2.gz WSYAYZVPKXVCLK-OAHLLOKOSA-N 1 1 279.330 2.891 20 30 CFEDMO C=CCCC[N@@H+](C)CN1Cc2c(cccc2OC)C1=O ZINC000863261164 637608089 /nfs/dbraw/zinc/60/80/89/637608089.db2.gz ZIWKEYPFAJVIQD-UHFFFAOYSA-N 1 1 274.364 2.507 20 30 CFEDMO C=CCCC[N@H+](C)CN1Cc2c(cccc2OC)C1=O ZINC000863261164 637608091 /nfs/dbraw/zinc/60/80/91/637608091.db2.gz ZIWKEYPFAJVIQD-UHFFFAOYSA-N 1 1 274.364 2.507 20 30 CFEDMO C#CC[N@H+](CC[C@@H]1CCCO1)Cc1ccc(F)cc1 ZINC000188914295 650350386 /nfs/dbraw/zinc/35/03/86/650350386.db2.gz MUHRPTBFDWOIGY-INIZCTEOSA-N 1 1 261.340 2.830 20 30 CFEDMO C=C(Br)C[NH2+]Cc1cc(F)ccc1N(C)C ZINC000865450832 638342947 /nfs/dbraw/zinc/34/29/47/638342947.db2.gz VRWOBSMENKFIBG-UHFFFAOYSA-N 1 1 287.176 2.890 20 30 CFEDMO C[C@H]([NH2+]Cc1cn(C2CC2)cn1)c1cccc(C#N)c1 ZINC000865479294 638366861 /nfs/dbraw/zinc/36/68/61/638366861.db2.gz FGISDHYLVGIHCV-LBPRGKRZSA-N 1 1 266.348 2.940 20 30 CFEDMO Cc1ccoc1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865577818 638435576 /nfs/dbraw/zinc/43/55/76/638435576.db2.gz PCFPPACRGAIVRQ-UHFFFAOYSA-N 1 1 269.348 2.816 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)C2CC(C(C)(C)C)C2)C1 ZINC001016380559 651232879 /nfs/dbraw/zinc/23/28/79/651232879.db2.gz DAZHOUGTFIFTBB-NRXISQOPSA-N 1 1 278.440 2.825 20 30 CFEDMO COc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C#N ZINC000865860794 638621839 /nfs/dbraw/zinc/62/18/39/638621839.db2.gz XVOATTDNKAMWNS-GJZGRUSLSA-N 1 1 271.364 2.606 20 30 CFEDMO CCC[N@H+]1CC[C@@H](Nc2cc(F)c(C#N)cc2[N+](=O)[O-])C1 ZINC000865949644 638672894 /nfs/dbraw/zinc/67/28/94/638672894.db2.gz WVSDNOUZIBRTHU-LLVKDONJSA-N 1 1 292.314 2.502 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1ncccc1C#N ZINC000866193338 638766878 /nfs/dbraw/zinc/76/68/78/638766878.db2.gz CEAJSUSJTKUQOX-HNNXBMFYSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1ncccc1C#N ZINC000866193338 638766879 /nfs/dbraw/zinc/76/68/79/638766879.db2.gz CEAJSUSJTKUQOX-HNNXBMFYSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@H]1CNc1ccc(C#N)cn1 ZINC000866194081 638767138 /nfs/dbraw/zinc/76/71/38/638767138.db2.gz GPIIXSPBVYBARZ-OAHLLOKOSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@H]1CNc1ccc(C#N)cn1 ZINC000866194081 638767139 /nfs/dbraw/zinc/76/71/39/638767139.db2.gz GPIIXSPBVYBARZ-OAHLLOKOSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3c(Cl)cccc3C#N)CC[C@H]21 ZINC000866207548 638770488 /nfs/dbraw/zinc/77/04/88/638770488.db2.gz XHSBTFXBRJLUMF-GXTWGEPZSA-N 1 1 275.783 2.742 20 30 CFEDMO Cc1ncc(C[NH2+][C@H](C)c2cccc(C#N)c2O)s1 ZINC000866259000 638782126 /nfs/dbraw/zinc/78/21/26/638782126.db2.gz FEVXQFBDMBJVRA-SECBINFHSA-N 1 1 273.361 2.880 20 30 CFEDMO Cc1cc(N[C@@H]2Cc3ccc(C#N)cc3C2)nc(C)[nH+]1 ZINC000866261165 638783021 /nfs/dbraw/zinc/78/30/21/638783021.db2.gz QKHXPJFAIUEYLJ-OAHLLOKOSA-N 1 1 264.332 2.544 20 30 CFEDMO C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(C#N)c1[O-] ZINC000866370091 638807367 /nfs/dbraw/zinc/80/73/67/638807367.db2.gz SAPGXKNLIWBSFY-ZDUSSCGKSA-N 1 1 287.407 2.789 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H]2CCCc3c(F)cccc32)nn1 ZINC000866379065 638809667 /nfs/dbraw/zinc/80/96/67/638809667.db2.gz GVLDKUNKLFZJPU-INIZCTEOSA-N 1 1 286.354 2.770 20 30 CFEDMO C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)c1cccc(C#N)c1O ZINC000866388902 638811763 /nfs/dbraw/zinc/81/17/63/638811763.db2.gz BGUAZNPXJPJUBQ-NSHDSACASA-N 1 1 296.374 2.726 20 30 CFEDMO COc1ccc(C#N)cc1C[N@@H+](C)Cc1ccccc1O ZINC000121150069 638854224 /nfs/dbraw/zinc/85/42/24/638854224.db2.gz WRKBKLVLWSYSSQ-UHFFFAOYSA-N 1 1 282.343 2.904 20 30 CFEDMO CCCCCCCNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000867994761 638912941 /nfs/dbraw/zinc/91/29/41/638912941.db2.gz DQGAANQMFMPTNU-CABCVRRESA-N 1 1 281.444 2.692 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1sccc1CC#N ZINC000868468319 638947836 /nfs/dbraw/zinc/94/78/36/638947836.db2.gz VRXAQWPMYMUDDA-GFCCVEGCSA-N 1 1 293.436 2.664 20 30 CFEDMO C=CCCCCCCNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868607858 638961296 /nfs/dbraw/zinc/96/12/96/638961296.db2.gz DHYVSZIGQYWIRS-JKSUJKDBSA-N 1 1 293.455 2.859 20 30 CFEDMO C=CC(C)(C)CNC(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000868670577 638967795 /nfs/dbraw/zinc/96/77/95/638967795.db2.gz OMKWAHFNWWAQHU-HNNXBMFYSA-N 1 1 287.407 2.685 20 30 CFEDMO C=CC(C)(C)CNC(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000868670577 638967796 /nfs/dbraw/zinc/96/77/96/638967796.db2.gz OMKWAHFNWWAQHU-HNNXBMFYSA-N 1 1 287.407 2.685 20 30 CFEDMO C#CCCCC(=O)OCCC[N@H+](C)Cc1ccccc1 ZINC000191346060 650492499 /nfs/dbraw/zinc/49/24/99/650492499.db2.gz IAEOTMXGHPBCLF-UHFFFAOYSA-N 1 1 273.376 2.855 20 30 CFEDMO C#CCCCC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000191960315 650531591 /nfs/dbraw/zinc/53/15/91/650531591.db2.gz JGZYEYMCELMCSZ-UHFFFAOYSA-N 1 1 272.392 2.558 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]C[C@@H](C)N(CC)CC ZINC000078880592 650541102 /nfs/dbraw/zinc/54/11/02/650541102.db2.gz ZPXSQGCJKVMBEM-OAHLLOKOSA-N 1 1 274.408 2.519 20 30 CFEDMO C[C@@H](C[C@H]1CCCC[N@H+]1C)OC(=O)c1ccc(C#N)o1 ZINC000870787999 641070434 /nfs/dbraw/zinc/07/04/34/641070434.db2.gz ZPASVWOPQFARIS-NWDGAFQWSA-N 1 1 276.336 2.571 20 30 CFEDMO CCCCCCC[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000123534340 641257589 /nfs/dbraw/zinc/25/75/89/641257589.db2.gz DZDKASDDTRTDEL-UHFFFAOYSA-N 1 1 263.447 2.712 20 30 CFEDMO C#CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000888559967 641260427 /nfs/dbraw/zinc/26/04/27/641260427.db2.gz VUVINCDZQMRPNI-GJZGRUSLSA-N 1 1 276.424 2.511 20 30 CFEDMO C=CCCC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888571876 641316387 /nfs/dbraw/zinc/31/63/87/641316387.db2.gz BCEKVZGZSRMZCB-UHFFFAOYSA-N 1 1 259.353 2.977 20 30 CFEDMO N#Cc1c[nH]c(C(=O)Nc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000888572074 641316741 /nfs/dbraw/zinc/31/67/41/641316741.db2.gz GRNKZLNHIQQFSP-UHFFFAOYSA-N 1 1 295.346 2.524 20 30 CFEDMO CC(C)C#CC(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888576230 641324745 /nfs/dbraw/zinc/32/47/45/641324745.db2.gz PBFOFQPWCTUTNL-UHFFFAOYSA-N 1 1 271.364 2.670 20 30 CFEDMO C[N@@H+](C[C@@H](O)COc1c(C#N)ccc2ccccc21)C1CC1 ZINC000871994200 641544978 /nfs/dbraw/zinc/54/49/78/641544978.db2.gz SOLOGPUPIQUZPI-MRXNPFEDSA-N 1 1 296.370 2.545 20 30 CFEDMO Cc1nc(CO[NH+]=C(N)C2CCCC2)nc2ccccc12 ZINC000193574996 650670897 /nfs/dbraw/zinc/67/08/97/650670897.db2.gz MCLOJQTYTBJFSW-UHFFFAOYSA-N 1 1 284.363 2.917 20 30 CFEDMO C=CCCOCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872050747 641584974 /nfs/dbraw/zinc/58/49/74/641584974.db2.gz DZGHVTYJKZTZMP-NSHDSACASA-N 1 1 282.315 2.977 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(OCC)nc2)no1 ZINC000872175406 641693049 /nfs/dbraw/zinc/69/30/49/641693049.db2.gz JQTCUAQXTAHAEF-JTQLQIEISA-N 1 1 294.742 2.673 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(COCc2ccccc2)no1 ZINC000872175514 641693473 /nfs/dbraw/zinc/69/34/73/641693473.db2.gz ROWCNJSSKCPDMO-GFCCVEGCSA-N 1 1 293.754 2.929 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cn(C)nc2C(C)C)no1 ZINC000872182442 641696707 /nfs/dbraw/zinc/69/67/07/641696707.db2.gz MBJYQVGBVCWVFQ-SNVBAGLBSA-N 1 1 295.774 2.736 20 30 CFEDMO COc1cccc(N=NC2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000872339011 641759109 /nfs/dbraw/zinc/75/91/09/641759109.db2.gz UVARDJSHTZMSSN-HNNXBMFYSA-N 1 1 291.420 2.674 20 30 CFEDMO COc1cccc(N=NC2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000872339011 641759113 /nfs/dbraw/zinc/75/91/13/641759113.db2.gz UVARDJSHTZMSSN-HNNXBMFYSA-N 1 1 291.420 2.674 20 30 CFEDMO c1ccc(CON=C2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000872340725 641759608 /nfs/dbraw/zinc/75/96/08/641759608.db2.gz MDGVNJRDOPVWQI-HNNXBMFYSA-N 1 1 276.405 2.770 20 30 CFEDMO COc1ccc(N=NC2CCC[N@@H+]3CCSC[C@@H]23)cc1 ZINC000872359388 641767101 /nfs/dbraw/zinc/76/71/01/641767101.db2.gz CAQPXKYQZBLZLC-HNNXBMFYSA-N 1 1 291.420 2.674 20 30 CFEDMO COc1ccc(N=NC2CCC[N@H+]3CCSC[C@@H]23)cc1 ZINC000872359388 641767105 /nfs/dbraw/zinc/76/71/05/641767105.db2.gz CAQPXKYQZBLZLC-HNNXBMFYSA-N 1 1 291.420 2.674 20 30 CFEDMO CC[C@@H](C)CON=C1CCC[N@H+]2CCSC[C@H]12 ZINC000872376495 641780948 /nfs/dbraw/zinc/78/09/48/641780948.db2.gz HORUQVYVFNRSTP-DGCLKSJQSA-N 1 1 256.415 2.616 20 30 CFEDMO C[C@@H](NN=C1CCC[N@@H+]2CCSC[C@H]12)C(C)(C)C ZINC000872377324 641781376 /nfs/dbraw/zinc/78/13/76/641781376.db2.gz YUUUORDOCXASPW-DGCLKSJQSA-N 1 1 269.458 2.578 20 30 CFEDMO C[C@@H](NN=C1CCC[N@H+]2CCSC[C@H]12)C(C)(C)C ZINC000872377324 641781378 /nfs/dbraw/zinc/78/13/78/641781378.db2.gz YUUUORDOCXASPW-DGCLKSJQSA-N 1 1 269.458 2.578 20 30 CFEDMO Clc1cccc(N=NC2CCC[N@@H+]3CCSC[C@@H]23)n1 ZINC000872377579 641781500 /nfs/dbraw/zinc/78/15/00/641781500.db2.gz WWSNEZKCNQBNDG-NSHDSACASA-N 1 1 296.827 2.714 20 30 CFEDMO Clc1cccc(N=NC2CCC[N@H+]3CCSC[C@@H]23)n1 ZINC000872377579 641781511 /nfs/dbraw/zinc/78/15/11/641781511.db2.gz WWSNEZKCNQBNDG-NSHDSACASA-N 1 1 296.827 2.714 20 30 CFEDMO C[C@H]1C(N=Nc2cc(Cl)nc(Cl)c2)CC[N@H+]1C ZINC000872382290 641784136 /nfs/dbraw/zinc/78/41/36/641784136.db2.gz NOMBAUVMZHMHNC-ZETCQYMHSA-N 1 1 273.167 2.880 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@H](Cc2ccccc2)CC1=O ZINC000872599363 641870831 /nfs/dbraw/zinc/87/08/31/641870831.db2.gz NHXYQFODZBLXHO-MRXNPFEDSA-N 1 1 272.392 2.543 20 30 CFEDMO COc1cc(O)c(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)cc1OC ZINC000872683432 641894944 /nfs/dbraw/zinc/89/49/44/641894944.db2.gz DOHPTFYFYMEVFV-YPMHNXCESA-N 1 1 290.363 2.533 20 30 CFEDMO COc1cc(O)c(C[N@@H+](C)[C@H]2CCC[C@@H]2C#N)cc1OC ZINC000872683432 641894946 /nfs/dbraw/zinc/89/49/46/641894946.db2.gz DOHPTFYFYMEVFV-YPMHNXCESA-N 1 1 290.363 2.533 20 30 CFEDMO C#C[C@H]1CC[C@H](NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000874860552 642532746 /nfs/dbraw/zinc/53/27/46/642532746.db2.gz IVQDULUTNRBVKY-ZQIUZPCESA-N 1 1 294.414 2.507 20 30 CFEDMO C#C[C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000874864112 642535874 /nfs/dbraw/zinc/53/58/74/642535874.db2.gz TWWVIMJMLIDABV-XIRDDKMYSA-N 1 1 284.403 2.598 20 30 CFEDMO C=CCCCCCNC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000875705057 642671010 /nfs/dbraw/zinc/67/10/10/642671010.db2.gz PXLVYSKQRZXDBK-UHFFFAOYSA-N 1 1 281.444 2.859 20 30 CFEDMO C[N@H+](Cc1cc(C#N)cnc1Cl)[C@@H]1CCSC1 ZINC000876573544 642929171 /nfs/dbraw/zinc/92/91/71/642929171.db2.gz USWHHTZHEWPQEY-LLVKDONJSA-N 1 1 267.785 2.544 20 30 CFEDMO C[N@@H+](Cc1cc(C#N)cnc1Cl)[C@@H]1CCSC1 ZINC000876573544 642929176 /nfs/dbraw/zinc/92/91/76/642929176.db2.gz USWHHTZHEWPQEY-LLVKDONJSA-N 1 1 267.785 2.544 20 30 CFEDMO CCOC(=O)N1CCC(C)(C[N@@H+](CC)C[C@@H](C)C#N)CC1 ZINC000876617219 642946845 /nfs/dbraw/zinc/94/68/45/642946845.db2.gz HRYAKZVWEVDZGT-AWEZNQCLSA-N 1 1 295.427 2.727 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000876653771 642960033 /nfs/dbraw/zinc/96/00/33/642960033.db2.gz RTDVWCOEKQCNOG-KGLIPLIRSA-N 1 1 295.427 2.773 20 30 CFEDMO C#CCCCCCC[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000876684309 642971931 /nfs/dbraw/zinc/97/19/31/642971931.db2.gz MCJIJQFOTVEETR-SFHVURJKSA-N 1 1 292.467 2.757 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)CCS1 ZINC000876688662 642973852 /nfs/dbraw/zinc/97/38/52/642973852.db2.gz UWMIZMFVGSMJTJ-GFCCVEGCSA-N 1 1 275.421 2.562 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@H+]1CCCOC(C)(C)C1 ZINC000876752132 642994340 /nfs/dbraw/zinc/99/43/40/642994340.db2.gz HGMCTEYYNDHKNC-UHFFFAOYSA-N 1 1 287.407 2.625 20 30 CFEDMO C#CCCCCCC[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000876764032 642999385 /nfs/dbraw/zinc/99/93/85/642999385.db2.gz KEOIWUSSFFGVMK-JKSUJKDBSA-N 1 1 250.430 2.985 20 30 CFEDMO N#Cc1cnc(Cl)c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1 ZINC000876802889 643014658 /nfs/dbraw/zinc/01/46/58/643014658.db2.gz SSFATQBEXXMQIC-OCCSQVGLSA-N 1 1 291.782 2.608 20 30 CFEDMO COc1cnc(F)c(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1 ZINC000876916659 643064538 /nfs/dbraw/zinc/06/45/38/643064538.db2.gz XHBXZYZEOKEBHO-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO 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CC[N@H+]1CCN(Cc2ccc(Cl)c(C#N)c2)[C@H](C)C1 ZINC001238195515 779276095 /nfs/dbraw/zinc/27/60/95/779276095.db2.gz IEPCGOBPNWXBEA-GFCCVEGCSA-N 1 1 277.799 2.738 20 30 CFEDMO C=CC[NH+]1CCN(Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238194950 779276830 /nfs/dbraw/zinc/27/68/30/779276830.db2.gz XXIUYJJNUKRZFI-UHFFFAOYSA-N 1 1 275.783 2.515 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H]2C[C@H]2C2CCCC2)C1 ZINC001031175370 779278439 /nfs/dbraw/zinc/27/84/39/779278439.db2.gz RUYBSBPONSUSQQ-HOTGVXAUSA-N 1 1 276.424 2.579 20 30 CFEDMO N#CCCCN1CC[C@]2(CCC[N@H+]2Cc2ccccc2)C1=O ZINC001272593622 779284816 /nfs/dbraw/zinc/28/48/16/779284816.db2.gz OUQNSEZWCYRJFI-GOSISDBHSA-N 1 1 297.402 2.557 20 30 CFEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1 ZINC001272594177 779287965 /nfs/dbraw/zinc/28/79/65/779287965.db2.gz PMVQQZGWHPNRPE-IAGOWNOFSA-N 1 1 284.403 2.828 20 30 CFEDMO C=CC[NH+]1CCN([C@H](C)Cc2cccc(F)c2)CC1 ZINC001168489046 779302605 /nfs/dbraw/zinc/30/26/05/779302605.db2.gz BSABIPGXARXRFY-CQSZACIVSA-N 1 1 262.372 2.560 20 30 CFEDMO C=CC(C)(C)C(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C)n1 ZINC001106531563 779308421 /nfs/dbraw/zinc/30/84/21/779308421.db2.gz KPXHHTSXEKOUCB-NSHDSACASA-N 1 1 290.411 2.612 20 30 CFEDMO C=CCCCC(=O)N[C@@H](C)CCNc1cc(C)[nH+]c(C)n1 ZINC001106546583 779313643 /nfs/dbraw/zinc/31/36/43/779313643.db2.gz IZZIFBWISNOXBI-LBPRGKRZSA-N 1 1 290.411 2.756 20 30 CFEDMO C=CCCC(=O)N(CC)CCNc1nc(C)[nH+]c(C)c1C ZINC001106691670 779339455 /nfs/dbraw/zinc/33/94/55/779339455.db2.gz DIQKESLIYHCUDA-UHFFFAOYSA-N 1 1 290.411 2.628 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)c2csc(Cl)n2)C1 ZINC001046752061 779351018 /nfs/dbraw/zinc/35/10/18/779351018.db2.gz XLNOTEQAPVXILY-CYBMUJFWSA-N 1 1 299.827 2.567 20 30 CFEDMO C=CCCC(=O)NCCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001235451029 779354802 /nfs/dbraw/zinc/35/48/02/779354802.db2.gz ACEUKBOVKASCHQ-UHFFFAOYSA-N 1 1 278.440 2.971 20 30 CFEDMO C=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccccc2C)C1=O ZINC001272639946 779365829 /nfs/dbraw/zinc/36/58/29/779365829.db2.gz 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779402035 /nfs/dbraw/zinc/40/20/35/779402035.db2.gz TUOBGPNEQUEOOL-UHFFFAOYSA-N 1 1 299.201 2.984 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2cc(C)n(C(C)C)c2C)C1 ZINC001031367466 779442526 /nfs/dbraw/zinc/44/25/26/779442526.db2.gz AWSJBBMQOGGVDV-UHFFFAOYSA-N 1 1 289.423 2.676 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2coc(C)c2)CC(C)(C)C1 ZINC001089373408 779445663 /nfs/dbraw/zinc/44/56/63/779445663.db2.gz XYNQBGAKKPYUCX-OAHLLOKOSA-N 1 1 290.407 2.994 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C)CC2)CC(C)(C)C1 ZINC001089395393 779452251 /nfs/dbraw/zinc/45/22/51/779452251.db2.gz UWTRYEJJASNOPN-ZDUSSCGKSA-N 1 1 264.413 2.579 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CC3CCC2CC3)C1 ZINC001031446571 779457920 /nfs/dbraw/zinc/45/79/20/779457920.db2.gz DTACQGZJEFNEPQ-XUJLQICISA-N 1 1 276.424 2.579 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2cccc(C3CC3)c2)C1 ZINC001031451283 779460361 /nfs/dbraw/zinc/46/03/61/779460361.db2.gz QDZCMHLGYQVCEY-UHFFFAOYSA-N 1 1 270.376 2.554 20 30 CFEDMO 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CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001034275130 780937226 /nfs/dbraw/zinc/93/72/26/780937226.db2.gz XBTBQCLHCPMDPF-HZPDHXFCSA-N 1 1 288.435 2.561 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001034275123 780937265 /nfs/dbraw/zinc/93/72/65/780937265.db2.gz XBTBQCLHCPMDPF-CVEARBPZSA-N 1 1 288.435 2.561 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CCC)C1 ZINC001034300040 780940390 /nfs/dbraw/zinc/94/03/90/780940390.db2.gz KBEKJXZUOFHXAV-QGZVFWFLSA-N 1 1 298.430 2.857 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)C2(C)CCC2)C1 ZINC001034355899 780950472 /nfs/dbraw/zinc/95/04/72/780950472.db2.gz MUOKYIOZEORKCG-AWEZNQCLSA-N 1 1 264.413 2.723 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cocc2C)C1 ZINC001034356953 780950644 /nfs/dbraw/zinc/95/06/44/780950644.db2.gz UVOZEUKONXPATG-AWEZNQCLSA-N 1 1 276.380 2.748 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001034345157 780951785 /nfs/dbraw/zinc/95/17/85/780951785.db2.gz 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C[C@@H]1C[N@H+](CCOc2ccccc2C#N)C2(CCC2)CO1 ZINC000593091630 349206710 /nfs/dbraw/zinc/20/67/10/349206710.db2.gz JBLUHDXKBXNBFA-CQSZACIVSA-N 1 1 286.375 2.580 20 30 CFEDMO C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)C2(CCC2)CO1 ZINC000593091630 349206715 /nfs/dbraw/zinc/20/67/15/349206715.db2.gz JBLUHDXKBXNBFA-CQSZACIVSA-N 1 1 286.375 2.580 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C2(CCC2)CO1 ZINC000593093593 349207441 /nfs/dbraw/zinc/20/74/41/349207441.db2.gz UYMHLVMNKVXXSV-CYBMUJFWSA-N 1 1 256.349 2.702 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C2(CCC2)CO1 ZINC000593093593 349207445 /nfs/dbraw/zinc/20/74/45/349207445.db2.gz UYMHLVMNKVXXSV-CYBMUJFWSA-N 1 1 256.349 2.702 20 30 CFEDMO CC[C@H](C#N)C(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000593500224 349285980 /nfs/dbraw/zinc/28/59/80/349285980.db2.gz MXENXOHKIAEXBA-DOTOQJQBSA-N 1 1 299.418 2.659 20 30 CFEDMO Cc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)nn1C ZINC000594032538 349357416 /nfs/dbraw/zinc/35/74/16/349357416.db2.gz WSRYJWGZBUUANM-UHFFFAOYSA-N 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C[N@@H+]1CC[C@H]2CCN(Cc3ccc(C4(C#N)CC4)cc3)[C@H]2C1 ZINC000597077690 350024734 /nfs/dbraw/zinc/02/47/34/350024734.db2.gz WVVINCOCRTXBGB-WMZOPIPTSA-N 1 1 295.430 2.768 20 30 CFEDMO C[N@H+]1CC[C@H]2CCN(Cc3ccc(C4(C#N)CC4)cc3)[C@H]2C1 ZINC000597077690 350024735 /nfs/dbraw/zinc/02/47/35/350024735.db2.gz WVVINCOCRTXBGB-WMZOPIPTSA-N 1 1 295.430 2.768 20 30 CFEDMO CC(C)(CCC#N)C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000597253540 350073488 /nfs/dbraw/zinc/07/34/88/350073488.db2.gz ZUAOSUDYUFJFQC-ZDUSSCGKSA-N 1 1 260.328 2.672 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CCO[C@](C)(C(F)F)C1 ZINC000597253540 350073492 /nfs/dbraw/zinc/07/34/92/350073492.db2.gz ZUAOSUDYUFJFQC-ZDUSSCGKSA-N 1 1 260.328 2.672 20 30 CFEDMO C[C@H]1C[C@H](N(C)C(=O)CC2(C#N)CCCCC2)CC[N@H+]1C ZINC000597309084 350081555 /nfs/dbraw/zinc/08/15/55/350081555.db2.gz IEVNLZVDAUWISF-LSDHHAIUSA-N 1 1 291.439 2.792 20 30 CFEDMO N#CC1(c2ccc(C[N@@H+]3CC[C@@H](CCCO)C3)cc2)CC1 ZINC000597148327 350038803 /nfs/dbraw/zinc/03/88/03/350038803.db2.gz BSKNHIMPQKRBTI-OAHLLOKOSA-N 1 1 284.403 2.836 20 30 CFEDMO CCCOc1ccc(C[N@H+]2CC[C@@](O)(CC#N)C2)c(C)c1 ZINC000597157437 350041142 /nfs/dbraw/zinc/04/11/42/350041142.db2.gz QIJZKXGTTBWRAO-KRWDZBQOSA-N 1 1 288.391 2.634 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cc3cccnc3o2)C1 ZINC000597176764 350044461 /nfs/dbraw/zinc/04/44/61/350044461.db2.gz JPVDBWRCDINWQF-LBPRGKRZSA-N 1 1 255.321 2.953 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](Cc2[nH]nc3ccccc32)C1 ZINC000597173878 350044607 /nfs/dbraw/zinc/04/46/07/350044607.db2.gz MMPBIZHKVOIXED-GFCCVEGCSA-N 1 1 254.337 2.689 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](Cc2n[nH]c3ccccc32)C1 ZINC000597173878 350044609 /nfs/dbraw/zinc/04/46/09/350044609.db2.gz MMPBIZHKVOIXED-GFCCVEGCSA-N 1 1 254.337 2.689 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](Cc2n[nH]c3ccccc32)C1 ZINC000597173878 350044611 /nfs/dbraw/zinc/04/46/11/350044611.db2.gz MMPBIZHKVOIXED-GFCCVEGCSA-N 1 1 254.337 2.689 20 30 CFEDMO C[C@@H](CC#N)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000597319003 350082353 /nfs/dbraw/zinc/08/23/53/350082353.db2.gz MGFJAZRHXFVABN-DOTOQJQBSA-N 1 1 299.418 2.517 20 30 CFEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)CC1(C#N)CCCCC1 ZINC000597205793 350055003 /nfs/dbraw/zinc/05/50/03/350055003.db2.gz JNIXRWMIBUBCDA-HNNXBMFYSA-N 1 1 291.439 2.841 20 30 CFEDMO C[C@]1(C#N)CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000597228832 350063964 /nfs/dbraw/zinc/06/39/64/350063964.db2.gz HDMAPKRDJPGJAC-MRXNPFEDSA-N 1 1 266.348 2.812 20 30 CFEDMO C[C@]1(C#N)CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000597228832 350063965 /nfs/dbraw/zinc/06/39/65/350063965.db2.gz HDMAPKRDJPGJAC-MRXNPFEDSA-N 1 1 266.348 2.812 20 30 CFEDMO C[C@@]1(C#N)CC[N@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000597228831 350063998 /nfs/dbraw/zinc/06/39/98/350063998.db2.gz HDMAPKRDJPGJAC-INIZCTEOSA-N 1 1 266.348 2.812 20 30 CFEDMO C[C@@]1(C#N)CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000597228831 350063999 /nfs/dbraw/zinc/06/39/99/350063999.db2.gz HDMAPKRDJPGJAC-INIZCTEOSA-N 1 1 266.348 2.812 20 30 CFEDMO COCCOCc1ccc(C[N@@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000597230806 350064585 /nfs/dbraw/zinc/06/45/85/350064585.db2.gz IPBUTIYUMHUGPS-QGZVFWFLSA-N 1 1 288.391 2.585 20 30 CFEDMO COCCOCc1ccc(C[N@H+]2CC[C@](C)(C#N)C2)cc1 ZINC000597230806 350064588 /nfs/dbraw/zinc/06/45/88/350064588.db2.gz IPBUTIYUMHUGPS-QGZVFWFLSA-N 1 1 288.391 2.585 20 30 CFEDMO CC[C@@H]1CN(C(=O)[C@H](C)CC#N)CC[N@H+]1Cc1ccccc1 ZINC000597503215 350106120 /nfs/dbraw/zinc/10/61/20/350106120.db2.gz BBNIZYAINPCPRM-NVXWUHKLSA-N 1 1 299.418 2.659 20 30 CFEDMO Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H](C)CC#N)cc1 ZINC000597357689 350088912 /nfs/dbraw/zinc/08/89/12/350088912.db2.gz CMNSBRVCCDWZIU-OLZOCXBDSA-N 1 1 296.374 2.908 20 30 CFEDMO C=CCOc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000090721404 180032381 /nfs/dbraw/zinc/03/23/81/180032381.db2.gz STKIWLIQDKYINU-GDBMZVCRSA-N 1 1 274.408 2.824 20 30 CFEDMO C=CCOc1ccccc1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000090721404 180032382 /nfs/dbraw/zinc/03/23/82/180032382.db2.gz STKIWLIQDKYINU-GDBMZVCRSA-N 1 1 274.408 2.824 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cccc(CC#N)c2)C1 ZINC000597853565 350143007 /nfs/dbraw/zinc/14/30/07/350143007.db2.gz CFSJHLMLWZKGSS-HNNXBMFYSA-N 1 1 299.418 2.603 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@H](NC(=O)CC2(C#N)CCCCC2)C1 ZINC000597923694 350159114 /nfs/dbraw/zinc/15/91/14/350159114.db2.gz OMAFDRGLMUWOKC-AWEZNQCLSA-N 1 1 291.439 2.840 20 30 CFEDMO C=CCCSCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000597968167 350164360 /nfs/dbraw/zinc/16/43/60/350164360.db2.gz DFYUHTBRAGJXJF-OAHLLOKOSA-N 1 1 296.480 2.819 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271338058 191082315 /nfs/dbraw/zinc/08/23/15/191082315.db2.gz FPELZMZMWAONDR-HZPDHXFCSA-N 1 1 299.418 2.828 20 30 CFEDMO N#Cc1ccccc1N1CCC[N@@H+](Cc2cncs2)CC1 ZINC000091792307 180257631 /nfs/dbraw/zinc/25/76/31/180257631.db2.gz RJXNVVQFVBAPDV-UHFFFAOYSA-N 1 1 298.415 2.727 20 30 CFEDMO COCC#CC[N@H+]1CCC[C@@H]1Cc1ccccc1C ZINC000677816953 539788647 /nfs/dbraw/zinc/78/86/47/539788647.db2.gz FJOZYFNISONXMZ-QGZVFWFLSA-N 1 1 257.377 2.652 20 30 CFEDMO CC(C)[N@H+](Cc1ccco1)C[C@H](O)CC(C)(C)C#N ZINC000598587314 350285880 /nfs/dbraw/zinc/28/58/80/350285880.db2.gz PMDOFRUJUAPYNN-CYBMUJFWSA-N 1 1 264.369 2.791 20 30 CFEDMO C[C@@]1(C#N)CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000598415333 350263459 /nfs/dbraw/zinc/26/34/59/350263459.db2.gz OHBBGMQYTSVOTJ-RDJZCZTQSA-N 1 1 289.423 2.546 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000598620456 350295640 /nfs/dbraw/zinc/29/56/40/350295640.db2.gz AGJSBCCOVRSVDS-RYUDHWBXSA-N 1 1 292.345 2.952 20 30 CFEDMO Cc1ccc2c(c1)C[N@H+](C[C@H](O)CC(C)(C)C#N)CC2 ZINC000598626171 350296709 /nfs/dbraw/zinc/29/67/09/350296709.db2.gz ZZDCKGNLHDMYDO-MRXNPFEDSA-N 1 1 272.392 2.654 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C#N)cc2)C[C@H]1CO ZINC000598645742 350300338 /nfs/dbraw/zinc/30/03/38/350300338.db2.gz GWWMHTLYNNRONE-ZBFHGGJFSA-N 1 1 286.419 2.938 20 30 CFEDMO COc1ccc(C[N@H+]2CC(C)(C)CC[C@H]2CO)cc1C#N ZINC000598646602 350301611 /nfs/dbraw/zinc/30/16/11/350301611.db2.gz HXPKRRHSXGCAEA-HNNXBMFYSA-N 1 1 288.391 2.550 20 30 CFEDMO C=CCC[N@H+](C)Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598677555 350308429 /nfs/dbraw/zinc/30/84/29/350308429.db2.gz YSOCPKKKCSQTAR-UHFFFAOYSA-N 1 1 276.380 2.619 20 30 CFEDMO CC[N@@H+](CCc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598585761 350285969 /nfs/dbraw/zinc/28/59/69/350285969.db2.gz KUKMYJDSXHCGBD-MRXNPFEDSA-N 1 1 274.408 2.852 20 30 CFEDMO CC[N@H+](Cc1cccs1)C[C@H](O)CC(C)(C)C#N ZINC000598584454 350286426 /nfs/dbraw/zinc/28/64/26/350286426.db2.gz MINPAPZSZUHIAK-GFCCVEGCSA-N 1 1 266.410 2.871 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000598591154 350287368 /nfs/dbraw/zinc/28/73/68/350287368.db2.gz ULTFWVALOLVNKR-STQMWFEESA-N 1 1 293.436 2.971 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000598591154 350287372 /nfs/dbraw/zinc/28/73/72/350287372.db2.gz ULTFWVALOLVNKR-STQMWFEESA-N 1 1 293.436 2.971 20 30 CFEDMO C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598590474 350287708 /nfs/dbraw/zinc/28/77/08/350287708.db2.gz ZGUDXXWNDXRMOH-UKRRQHHQSA-N 1 1 272.392 2.906 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000598591821 350288224 /nfs/dbraw/zinc/28/82/24/350288224.db2.gz CMMPFPWQPHSIFT-CHWSQXEVSA-N 1 1 262.353 2.717 20 30 CFEDMO C[C@@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)[C@H]1c1ccccc1 ZINC000598591963 350288403 /nfs/dbraw/zinc/28/84/03/350288403.db2.gz CSKKWCOZMIGUCG-VNQPRFMTSA-N 1 1 272.392 2.980 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000598593665 350289037 /nfs/dbraw/zinc/28/90/37/350289037.db2.gz VBTGDAOYVZUHDS-MJBXVCDLSA-N 1 1 282.453 2.647 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000598596291 350289150 /nfs/dbraw/zinc/28/91/50/350289150.db2.gz ZLUCBAQXOOJRIN-CVEARBPZSA-N 1 1 288.391 2.830 20 30 CFEDMO C[C@@H]1c2ccccc2OCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598594834 350289156 /nfs/dbraw/zinc/28/91/56/350289156.db2.gz DTRZSZFYAPFVHZ-KGLIPLIRSA-N 1 1 288.391 2.743 20 30 CFEDMO CCSCC[C@H](C)[N@@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598597441 350290282 /nfs/dbraw/zinc/29/02/82/350290282.db2.gz FOOFUZDFXTTWNO-STQMWFEESA-N 1 1 272.458 2.751 20 30 CFEDMO C[N@@H+](C[C@H](O)CC(C)(C)C#N)C1CCC(F)(F)CC1 ZINC000598615442 350293637 /nfs/dbraw/zinc/29/36/37/350293637.db2.gz BADUBNMCZWAOAA-GFCCVEGCSA-N 1 1 274.355 2.797 20 30 CFEDMO CC(C)(C#N)C[C@@H](O)C[N@@H+](CC1CC1)C1CCC1 ZINC000598611265 350293668 /nfs/dbraw/zinc/29/36/68/350293668.db2.gz LCBBNMUEXRHQAR-CQSZACIVSA-N 1 1 250.386 2.552 20 30 CFEDMO C[C@H]1C[N@@H+](C[C@@H](O)CC(C)(C)C#N)CCc2ccccc21 ZINC000598622843 350295307 /nfs/dbraw/zinc/29/53/07/350295307.db2.gz OBFYKQDUTJOYBH-HOCLYGCPSA-N 1 1 286.419 2.949 20 30 CFEDMO C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1CC(OC(C)(C)C)C1 ZINC000598621127 350295459 /nfs/dbraw/zinc/29/54/59/350295459.db2.gz FSQPUSWQGFDNON-MOKVOYLWSA-N 1 1 282.428 2.565 20 30 CFEDMO COCC#CC[NH+]1CCC(=Cc2cccc(OC)c2)CC1 ZINC000677819890 539794427 /nfs/dbraw/zinc/79/44/27/539794427.db2.gz CSIGZEYZYATYMH-UHFFFAOYSA-N 1 1 285.387 2.824 20 30 CFEDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599279196 350405107 /nfs/dbraw/zinc/40/51/07/350405107.db2.gz NMWQVFUHCFWCMQ-MRXNPFEDSA-N 1 1 286.375 2.784 20 30 CFEDMO C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1cccc(C#N)c1 ZINC000599071786 350370759 /nfs/dbraw/zinc/37/07/59/350370759.db2.gz SWIKSMHOZHEHNP-ZBFHGGJFSA-N 1 1 271.408 2.941 20 30 CFEDMO C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1cccc(C#N)c1 ZINC000599071786 350370761 /nfs/dbraw/zinc/37/07/61/350370761.db2.gz SWIKSMHOZHEHNP-ZBFHGGJFSA-N 1 1 271.408 2.941 20 30 CFEDMO CCc1cc(N2CC(Nc3cccc(C#N)c3)C2)nc(C)[nH+]1 ZINC000599110606 350377281 /nfs/dbraw/zinc/37/72/81/350377281.db2.gz CDDJWTGRLLCQHT-UHFFFAOYSA-N 1 1 293.374 2.520 20 30 CFEDMO C[N@H+]1CCCC[C@@H](CNc2ncc(C#N)cc2Cl)C1 ZINC000599138903 350382933 /nfs/dbraw/zinc/38/29/33/350382933.db2.gz JTNIXHURRQAXBK-NSHDSACASA-N 1 1 278.787 2.750 20 30 CFEDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(C#N)o1 ZINC000092150149 180334468 /nfs/dbraw/zinc/33/44/68/180334468.db2.gz AUGVFBNIQULURK-UHFFFAOYSA-N 1 1 258.296 2.965 20 30 CFEDMO CC[N@H+](Cc1cncc(OC)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000599271468 350404057 /nfs/dbraw/zinc/40/40/57/350404057.db2.gz YFTJVUIOZDSLKI-ZDUSSCGKSA-N 1 1 296.374 2.940 20 30 CFEDMO CC[N@@H+](Cc1cncc(OC)n1)[C@@H](C)c1ccc(C#N)cc1 ZINC000599271468 350404061 /nfs/dbraw/zinc/40/40/61/350404061.db2.gz YFTJVUIOZDSLKI-ZDUSSCGKSA-N 1 1 296.374 2.940 20 30 CFEDMO CC[N@H+](Cc1ccc(C)c(C#N)c1)C[C@@H]1CCCO1 ZINC000599277721 350404699 /nfs/dbraw/zinc/40/46/99/350404699.db2.gz SITWZDJTBCLHCH-INIZCTEOSA-N 1 1 258.365 2.868 20 30 CFEDMO Cc1ccc(CNC(C)(C)C[NH+]2CCCC2)cc1C#N ZINC000599435004 350437547 /nfs/dbraw/zinc/43/75/47/350437547.db2.gz OSNKMATWQHAMCO-UHFFFAOYSA-N 1 1 271.408 2.831 20 30 CFEDMO CCCCC[N@@H+](CCO)Cc1ccc(C)c(C#N)c1 ZINC000599292018 350407383 /nfs/dbraw/zinc/40/73/83/350407383.db2.gz CZUDUFFRUQEPSN-UHFFFAOYSA-N 1 1 260.381 2.851 20 30 CFEDMO CC(C)[C@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCOCC1 ZINC000599294306 350408138 /nfs/dbraw/zinc/40/81/38/350408138.db2.gz FUSLXTIVHGGALV-HZPDHXFCSA-N 1 1 294.439 2.568 20 30 CFEDMO Cc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1C#N ZINC000599299443 350409395 /nfs/dbraw/zinc/40/93/95/350409395.db2.gz JQDJNJGQHVVOCR-INIZCTEOSA-N 1 1 271.408 2.640 20 30 CFEDMO Cc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1C#N ZINC000599299443 350409397 /nfs/dbraw/zinc/40/93/97/350409397.db2.gz JQDJNJGQHVVOCR-INIZCTEOSA-N 1 1 271.408 2.640 20 30 CFEDMO CCC(CC)C[N@H+](CCC#N)CCOC1CCOCC1 ZINC000599308704 350411125 /nfs/dbraw/zinc/41/11/25/350411125.db2.gz XFIQWAZJHBWFCM-UHFFFAOYSA-N 1 1 282.428 2.834 20 30 CFEDMO Cc1ccc(C[N@@H+](C)CCOCC2CC2)cc1C#N ZINC000599315110 350412864 /nfs/dbraw/zinc/41/28/64/350412864.db2.gz JLJCAYCATLVQEE-UHFFFAOYSA-N 1 1 258.365 2.725 20 30 CFEDMO Cc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1C#N ZINC000599334158 350416497 /nfs/dbraw/zinc/41/64/97/350416497.db2.gz CUOHHLRPNJEISD-OAHLLOKOSA-N 1 1 258.365 2.602 20 30 CFEDMO Cc1ccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1C#N ZINC000599335206 350416805 /nfs/dbraw/zinc/41/68/05/350416805.db2.gz PJBRDHCGYHICJH-HNNXBMFYSA-N 1 1 260.381 2.706 20 30 CFEDMO COc1ccccc1[C@H](CO)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000599357646 350422368 /nfs/dbraw/zinc/42/23/68/350422368.db2.gz VKSZVIHEVDWHOB-KRWDZBQOSA-N 1 1 296.370 2.699 20 30 CFEDMO COc1ccccc1[C@@H](CO)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000599357647 350422535 /nfs/dbraw/zinc/42/25/35/350422535.db2.gz VKSZVIHEVDWHOB-QGZVFWFLSA-N 1 1 296.370 2.699 20 30 CFEDMO Cc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cc1C#N ZINC000599366120 350424220 /nfs/dbraw/zinc/42/42/20/350424220.db2.gz KNNSZXPVTMOJAR-WBVHZDCISA-N 1 1 272.392 2.850 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(C(=O)OCC)cn2)C1 ZINC000599529519 350451212 /nfs/dbraw/zinc/45/12/12/350451212.db2.gz NJRQLVXAPNBREI-ZDUSSCGKSA-N 1 1 274.364 2.656 20 30 CFEDMO C=CC[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000599529840 350451386 /nfs/dbraw/zinc/45/13/86/350451386.db2.gz RGBGZXVGCLGWAG-HNNXBMFYSA-N 1 1 262.397 2.985 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](CCc2ccccc2C(=O)OC)C1 ZINC000599528777 350451432 /nfs/dbraw/zinc/45/14/32/350451432.db2.gz HMGQPQWIHITEFM-CQSZACIVSA-N 1 1 273.376 2.914 20 30 CFEDMO COC(=O)[C@]1([NH2+]CCCCC#N)CCCC(C)(C)C1 ZINC000599560607 350457789 /nfs/dbraw/zinc/45/77/89/350457789.db2.gz FTQCLVUIDJLHGR-HNNXBMFYSA-N 1 1 266.385 2.782 20 30 CFEDMO C[N@@H+](Cc1ccccc1C(C)(C)C#N)CC1(C)COC1 ZINC000599571433 350457999 /nfs/dbraw/zinc/45/79/99/350457999.db2.gz HGPXELFIACPUCL-UHFFFAOYSA-N 1 1 272.392 2.956 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599589524 350460828 /nfs/dbraw/zinc/46/08/28/350460828.db2.gz MOVMHFDGPMSJDJ-RDBSUJKOSA-N 1 1 280.412 2.978 20 30 CFEDMO CCC(C#N)(CC)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000599597621 350462252 /nfs/dbraw/zinc/46/22/52/350462252.db2.gz JSARSIGHQHZOND-AWEZNQCLSA-N 1 1 279.428 2.649 20 30 CFEDMO Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)CO)cc1C#N ZINC000599465294 350441119 /nfs/dbraw/zinc/44/11/19/350441119.db2.gz FGCLDVLIZIMRSP-PBHICJAKSA-N 1 1 272.392 2.850 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639928 350470151 /nfs/dbraw/zinc/47/01/51/350470151.db2.gz RLWWZJZDUHHBIN-XOKHGSTOSA-N 1 1 270.376 2.714 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639054 350470300 /nfs/dbraw/zinc/47/03/00/350470300.db2.gz WXNFLEMEHRVJBA-RRQGHBQHSA-N 1 1 270.376 2.714 20 30 CFEDMO N#Cc1cccc(CN[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000106474040 186120038 /nfs/dbraw/zinc/12/00/38/186120038.db2.gz QNNUWBQFFZYWIQ-INIZCTEOSA-N 1 1 269.392 2.665 20 30 CFEDMO N#Cc1cccc(C[NH2+][C@H]2CCN(C3CCCC3)C2)c1 ZINC000106474040 186120040 /nfs/dbraw/zinc/12/00/40/186120040.db2.gz QNNUWBQFFZYWIQ-INIZCTEOSA-N 1 1 269.392 2.665 20 30 CFEDMO COc1ccc([C@H]2CC[N@@H+](CCOCCC#N)C2)cc1F ZINC000599675933 350478993 /nfs/dbraw/zinc/47/89/93/350478993.db2.gz ABSVMIVHBQFRHY-AWEZNQCLSA-N 1 1 292.354 2.554 20 30 CFEDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000599673897 350479118 /nfs/dbraw/zinc/47/91/18/350479118.db2.gz VLYONOCIKHXGQG-UHFFFAOYSA-N 1 1 260.381 2.736 20 30 CFEDMO N#CCc1cccc2c1CC[N@@H+](CCC[C@@H]1CCOC1)C2 ZINC000599677900 350479444 /nfs/dbraw/zinc/47/94/44/350479444.db2.gz MATKNFKRIAZCMH-OAHLLOKOSA-N 1 1 284.403 2.927 20 30 CFEDMO Cc1noc(C)c1CC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676430 350479785 /nfs/dbraw/zinc/47/97/85/350479785.db2.gz CUNLCNBMUNONFS-UHFFFAOYSA-N 1 1 295.386 2.958 20 30 CFEDMO COCCCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678712 350479987 /nfs/dbraw/zinc/47/99/87/350479987.db2.gz LHPSFYDPIDDYJT-UHFFFAOYSA-N 1 1 258.365 2.537 20 30 CFEDMO CCSCC[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677956 350480190 /nfs/dbraw/zinc/48/01/90/350480190.db2.gz FGRDLQLNGNXUHT-UHFFFAOYSA-N 1 1 260.406 2.864 20 30 CFEDMO COc1cncc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000599677788 350480244 /nfs/dbraw/zinc/48/02/44/350480244.db2.gz 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CCC[C@]1(COC)CCC[N@H+]1Cc1ccnc(C#N)c1 ZINC000618550650 352806924 /nfs/dbraw/zinc/80/69/24/352806924.db2.gz OLUMPJZIQONENE-MRXNPFEDSA-N 1 1 273.380 2.734 20 30 CFEDMO C[C@@H](NCC[C@@H]1CCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000271642993 191254368 /nfs/dbraw/zinc/25/43/68/191254368.db2.gz HJQIATWPVOMIGH-CJNGLKHVSA-N 1 1 257.381 2.693 20 30 CFEDMO C[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000271642993 191254369 /nfs/dbraw/zinc/25/43/69/191254369.db2.gz HJQIATWPVOMIGH-CJNGLKHVSA-N 1 1 257.381 2.693 20 30 CFEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1nccs1 ZINC000618741665 352875888 /nfs/dbraw/zinc/87/58/88/352875888.db2.gz JOCIOMABBIUEED-CYBMUJFWSA-N 1 1 255.346 2.792 20 30 CFEDMO Cc1cnc(CC[N@H+](C)C[C@@H](C)CCC#N)s1 ZINC000618888237 352905614 /nfs/dbraw/zinc/90/56/14/352905614.db2.gz OOQZXVTUFUMOPU-NSHDSACASA-N 1 1 251.399 2.866 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000618888627 352905686 /nfs/dbraw/zinc/90/56/86/352905686.db2.gz ZZENQVXUPXWQPM-GXTWGEPZSA-N 1 1 260.385 2.669 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C[N@@H+](CCC(C)(C)C#N)[C@@H]1CCN(c2ccccc2)C1=O ZINC000157979842 188351023 /nfs/dbraw/zinc/35/10/23/188351023.db2.gz DPPIYWITPXJPEE-OAHLLOKOSA-N 1 1 285.391 2.664 20 30 CFEDMO COc1cc(C#N)ccc1OCC[NH+]1Cc2ccccc2C1 ZINC000158013946 188352807 /nfs/dbraw/zinc/35/28/07/188352807.db2.gz ROBILEJIXVPYHQ-UHFFFAOYSA-N 1 1 294.354 2.961 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000622180593 353491280 /nfs/dbraw/zinc/49/12/80/353491280.db2.gz QAUKSZMMKRXRLX-OAGGEKHMSA-N 1 1 276.424 2.961 20 30 CFEDMO C=CC[C@@H]1CCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000623601408 353682694 /nfs/dbraw/zinc/68/26/94/353682694.db2.gz CGWOWDHTPZGDGT-HRCADAONSA-N 1 1 293.455 2.714 20 30 CFEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000624326776 353862997 /nfs/dbraw/zinc/86/29/97/353862997.db2.gz UUZSGLINHMCWNV-KFWWJZLASA-N 1 1 279.428 2.515 20 30 CFEDMO C=CC(C)(C)CCNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000624464736 353887171 /nfs/dbraw/zinc/88/71/71/353887171.db2.gz 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Cn1nccc1[C@H]1CCC[N@H+](Cc2cc(F)ccc2C#N)C1 ZINC000335789968 379891717 /nfs/dbraw/zinc/89/17/17/379891717.db2.gz CVBIDCBRRJKZHN-AWEZNQCLSA-N 1 1 298.365 2.810 20 30 CFEDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2C#N)C1 ZINC000335789968 379891723 /nfs/dbraw/zinc/89/17/23/379891723.db2.gz CVBIDCBRRJKZHN-AWEZNQCLSA-N 1 1 298.365 2.810 20 30 CFEDMO N#Cc1csc(C[NH+]2CC(Cc3ccco3)C2)c1 ZINC000529648729 383741568 /nfs/dbraw/zinc/74/15/68/383741568.db2.gz IWNANFBJVVSECZ-UHFFFAOYSA-N 1 1 258.346 2.887 20 30 CFEDMO C[NH+](C)[C@H]1CCC[C@H](NCc2ccc(C#N)cc2)C1 ZINC000175008613 379978136 /nfs/dbraw/zinc/97/81/36/379978136.db2.gz ITRTZUUISFVHNK-HOTGVXAUSA-N 1 1 257.381 2.521 20 30 CFEDMO C[NH+](C)[C@H]1CCC[C@@H](NCc2ccc(C#N)cc2)C1 ZINC000175008642 379978290 /nfs/dbraw/zinc/97/82/90/379978290.db2.gz ITRTZUUISFVHNK-CVEARBPZSA-N 1 1 257.381 2.521 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000335856388 380002061 /nfs/dbraw/zinc/00/20/61/380002061.db2.gz QZJIENFJXDYLGA-KBPBESRZSA-N 1 1 274.339 2.556 20 30 CFEDMO C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCC#N ZINC000175395156 380057585 /nfs/dbraw/zinc/05/75/85/380057585.db2.gz BTICISYNDVHHPQ-KZULUSFZSA-N 1 1 264.394 2.721 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1F ZINC000335239699 380062610 /nfs/dbraw/zinc/06/26/10/380062610.db2.gz KLRTWGXZSUDQMG-INIZCTEOSA-N 1 1 274.339 2.700 20 30 CFEDMO Cn1ncc2c1CCC[N@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000335246626 380075023 /nfs/dbraw/zinc/07/50/23/380075023.db2.gz LNRFGVSVOWGYQP-UHFFFAOYSA-N 1 1 299.805 2.873 20 30 CFEDMO Cn1ncc2c1CCC[N@@H+](CC#Cc1ccc(Cl)cc1)C2 ZINC000335246626 380075028 /nfs/dbraw/zinc/07/50/28/380075028.db2.gz LNRFGVSVOWGYQP-UHFFFAOYSA-N 1 1 299.805 2.873 20 30 CFEDMO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)s1 ZINC000335247236 380076034 /nfs/dbraw/zinc/07/60/34/380076034.db2.gz WNTLWUJIYCUQLK-BBRMVZONSA-N 1 1 284.384 2.928 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)s1 ZINC000176964953 380288847 /nfs/dbraw/zinc/28/88/47/380288847.db2.gz DBRXVZVHODXXMS-UHFFFAOYSA-N 1 1 271.320 2.920 20 30 CFEDMO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1cc(C#N)cs1 ZINC000177689656 380367450 /nfs/dbraw/zinc/36/74/50/380367450.db2.gz ICBSEEMAHSOGIO-CHWSQXEVSA-N 1 1 277.437 2.830 20 30 CFEDMO C[C@H](C[N@H+]1CCC[C@@H](C)C1)NCc1cc(C#N)cs1 ZINC000177689656 380367458 /nfs/dbraw/zinc/36/74/58/380367458.db2.gz ICBSEEMAHSOGIO-CHWSQXEVSA-N 1 1 277.437 2.830 20 30 CFEDMO C[C@@H](CNCc1cc(C#N)cs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000177685300 380367549 /nfs/dbraw/zinc/36/75/49/380367549.db2.gz XNRABOCRWPHVIT-OLZOCXBDSA-N 1 1 277.437 2.830 20 30 CFEDMO C[C@@H](CNCc1cc(C#N)cs1)[N@H+]1CCC[C@@H](C)C1 ZINC000177685300 380367552 /nfs/dbraw/zinc/36/75/52/380367552.db2.gz XNRABOCRWPHVIT-OLZOCXBDSA-N 1 1 277.437 2.830 20 30 CFEDMO CC(C)O[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000571997667 383745329 /nfs/dbraw/zinc/74/53/29/383745329.db2.gz XGIAXMSQVYOZNH-QGZVFWFLSA-N 1 1 288.391 2.826 20 30 CFEDMO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000336519681 380401279 /nfs/dbraw/zinc/40/12/79/380401279.db2.gz HPJLZDXFEWFDIR-HUUCEWRRSA-N 1 1 291.439 2.792 20 30 CFEDMO N#Cc1ccc(F)cc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000336530489 380421479 /nfs/dbraw/zinc/42/14/79/380421479.db2.gz SNHNNYRCCNEYBZ-CABCVRRESA-N 1 1 288.366 2.946 20 30 CFEDMO C[C@@H]1C[C@@H](N(C)Cc2cccc(C#N)c2F)CC[N@H+]1C ZINC000336615448 380552358 /nfs/dbraw/zinc/55/23/58/380552358.db2.gz MYVWUSRDIZKDIT-DOMZBBRYSA-N 1 1 275.371 2.612 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1F ZINC000336619457 380560447 /nfs/dbraw/zinc/56/04/47/380560447.db2.gz RKOBHFJXRFOLTB-CABCVRRESA-N 1 1 274.339 2.698 20 30 CFEDMO Cc1nc(NCC[N@H+](C)C(C)C)c(Cl)cc1C#N ZINC000336791743 380640034 /nfs/dbraw/zinc/64/00/34/380640034.db2.gz OTUGKSZZGLWQOJ-UHFFFAOYSA-N 1 1 266.776 2.667 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000636238169 383748353 /nfs/dbraw/zinc/74/83/53/383748353.db2.gz UIDLICFOOLREKB-OWCLPIDISA-N 1 1 274.408 2.713 20 30 CFEDMO C=CCC(C)(C)CNC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000432579693 383749221 /nfs/dbraw/zinc/74/92/21/383749221.db2.gz LIKWFTNHNWVZPW-AWEZNQCLSA-N 1 1 281.444 2.570 20 30 CFEDMO C=CCNC(=O)C[NH2+]Cc1ccc(-c2ccc(C)cc2)o1 ZINC000181128956 380745260 /nfs/dbraw/zinc/74/52/60/380745260.db2.gz SSVXGUNQBWXVKV-UHFFFAOYSA-N 1 1 284.359 2.647 20 30 CFEDMO COC[C@@H](C#N)Nc1cccc2c1C[N@H+]([C@H](C)C(C)C)C2 ZINC000181332532 380777736 /nfs/dbraw/zinc/77/77/36/380777736.db2.gz RMMSVSAXHLPSIH-UKRRQHHQSA-N 1 1 287.407 2.997 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287327889 380805603 /nfs/dbraw/zinc/80/56/03/380805603.db2.gz KIZAEPBKCGBHOE-YOEHRIQHSA-N 1 1 297.402 2.564 20 30 CFEDMO C#CCC[N@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000287368305 380814632 /nfs/dbraw/zinc/81/46/32/380814632.db2.gz MGIDPVFZPRWGSC-SNVBAGLBSA-N 1 1 287.285 2.725 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000287368305 380814637 /nfs/dbraw/zinc/81/46/37/380814637.db2.gz MGIDPVFZPRWGSC-SNVBAGLBSA-N 1 1 287.285 2.725 20 30 CFEDMO N#CCCCC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181521393 380814704 /nfs/dbraw/zinc/81/47/04/380814704.db2.gz QVQWNCVYHXWNLK-INIZCTEOSA-N 1 1 258.365 2.624 20 30 CFEDMO C[N@H+](Cc1ccc(Br)cc1C#N)C1CC1 ZINC000287415439 380825642 /nfs/dbraw/zinc/82/56/42/380825642.db2.gz SOBYOGMXSSQRRH-UHFFFAOYSA-N 1 1 265.154 2.915 20 30 CFEDMO C[N@@H+](Cc1ccc(Br)cc1C#N)C1CC1 ZINC000287415439 380825649 /nfs/dbraw/zinc/82/56/49/380825649.db2.gz SOBYOGMXSSQRRH-UHFFFAOYSA-N 1 1 265.154 2.915 20 30 CFEDMO C=CCC(CC=C)C(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000295384099 380821311 /nfs/dbraw/zinc/82/13/11/380821311.db2.gz PWCAEMXVITVLSS-AWEZNQCLSA-N 1 1 276.424 2.698 20 30 CFEDMO CCC[C@]1(CO)CC[N@@H+](Cc2ccccc2C#N)C1 ZINC000367984696 380875278 /nfs/dbraw/zinc/87/52/78/380875278.db2.gz YAGATAUOIIKAQE-INIZCTEOSA-N 1 1 258.365 2.543 20 30 CFEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)C(=O)NC(C)(C)C ZINC000358558823 380925370 /nfs/dbraw/zinc/92/53/70/380925370.db2.gz DGQAZGMOQJMCFU-QWRGUYRKSA-N 1 1 291.370 2.651 20 30 CFEDMO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1F)C(=O)NC(C)(C)C ZINC000358558816 380925746 /nfs/dbraw/zinc/92/57/46/380925746.db2.gz DGQAZGMOQJMCFU-GHMZBOCLSA-N 1 1 291.370 2.651 20 30 CFEDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C#N)cc1F ZINC000358560201 380927008 /nfs/dbraw/zinc/92/70/08/380927008.db2.gz QGMJAXYQFJYGTA-QEJZJMRPSA-N 1 1 287.382 2.975 20 30 CFEDMO C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C#N)cc1F ZINC000358560194 380927350 /nfs/dbraw/zinc/92/73/50/380927350.db2.gz QGMJAXYQFJYGTA-AEGPPILISA-N 1 1 287.382 2.975 20 30 CFEDMO Cc1cccc(NC2CCN(c3cccnc3C#N)CC2)[nH+]1 ZINC000368115107 380929428 /nfs/dbraw/zinc/92/94/28/380929428.db2.gz QJLWYMJIUHDLEX-UHFFFAOYSA-N 1 1 293.374 2.738 20 30 CFEDMO C[C@H](C(=O)Nc1cccc(C#N)c1)[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368001836 380881544 /nfs/dbraw/zinc/88/15/44/380881544.db2.gz RJOIFRMFAXMJFJ-XNRPHZJLSA-N 1 1 283.375 2.760 20 30 CFEDMO C=C(CC)C[N@@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000358512650 380895825 /nfs/dbraw/zinc/89/58/25/380895825.db2.gz UDMOURNBNJHPJA-UHFFFAOYSA-N 1 1 299.418 2.692 20 30 CFEDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404096001 380900382 /nfs/dbraw/zinc/90/03/82/380900382.db2.gz WBLOKMAWLQRHTK-CQSZACIVSA-N 1 1 262.328 2.698 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(Cc2cc(C#N)cs2)C[C@@H]1C ZINC000353860368 380909031 /nfs/dbraw/zinc/90/90/31/380909031.db2.gz DRWCMCLTMWYFAL-RYUDHWBXSA-N 1 1 263.410 2.534 20 30 CFEDMO CCN1CCC([NH2+][C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358553650 380920872 /nfs/dbraw/zinc/92/08/72/380920872.db2.gz JFIRWAQZBLPBMS-GFCCVEGCSA-N 1 1 275.371 2.832 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000368096331 380921830 /nfs/dbraw/zinc/92/18/30/380921830.db2.gz WERJMTKTRNJSSP-ZFWWWQNUSA-N 1 1 265.784 2.924 20 30 CFEDMO CC[N@H+](Cc1ccc(Br)cc1C#N)C[C@H](C)O ZINC000347122992 380954902 /nfs/dbraw/zinc/95/49/02/380954902.db2.gz BTMWNZBQKYRLQC-JTQLQIEISA-N 1 1 297.196 2.523 20 30 CFEDMO C[C@@H](NC[C@@H](C)[N@@H+](C)C1CC1)c1ccc(C#N)cc1F ZINC000358596865 380957247 /nfs/dbraw/zinc/95/72/47/380957247.db2.gz WHQGPCFVWDHXPQ-VXGBXAGGSA-N 1 1 275.371 2.831 20 30 CFEDMO C[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1ccc(C#N)cc1F ZINC000358596865 380957257 /nfs/dbraw/zinc/95/72/57/380957257.db2.gz WHQGPCFVWDHXPQ-VXGBXAGGSA-N 1 1 275.371 2.831 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cn[nH]c1 ZINC000358568056 380934270 /nfs/dbraw/zinc/93/42/70/380934270.db2.gz DTNJPLXSXSEZOM-ZJUUUORDSA-N 1 1 258.300 2.832 20 30 CFEDMO C[C@@H](NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1F ZINC000358570719 380937359 /nfs/dbraw/zinc/93/73/59/380937359.db2.gz NZZCSZOUPQSROR-OCCSQVGLSA-N 1 1 287.382 2.832 20 30 CFEDMO C[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1ccc(C#N)cc1F ZINC000358577722 380943356 /nfs/dbraw/zinc/94/33/56/380943356.db2.gz UXGWDIHNDSBPOR-GFCCVEGCSA-N 1 1 287.382 2.975 20 30 CFEDMO C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccc(C#N)cc1F ZINC000358581734 380947763 /nfs/dbraw/zinc/94/77/63/380947763.db2.gz ZGLBSWRMMRMRSX-NSHDSACASA-N 1 1 263.360 2.688 20 30 CFEDMO C[C@@H](CCC#N)N1CC[NH+](Cc2cccs2)CC1 ZINC000411160656 381012057 /nfs/dbraw/zinc/01/20/57/381012057.db2.gz UNNDKLSENCMBMW-ZDUSSCGKSA-N 1 1 263.410 2.558 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000411166907 381012081 /nfs/dbraw/zinc/01/20/81/381012081.db2.gz VSCQUZUIIRXKMB-HNNXBMFYSA-N 1 1 291.439 2.793 20 30 CFEDMO C=C(C)C[N@H+](CC)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411152783 381012754 /nfs/dbraw/zinc/01/27/54/381012754.db2.gz HYHYDXJYFIATLY-OAHLLOKOSA-N 1 1 276.355 2.829 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)c1nnc(C)[nH]1 ZINC000411190032 381015213 /nfs/dbraw/zinc/01/52/13/381015213.db2.gz HCKQRNWZJRSICZ-ZDUSSCGKSA-N 1 1 270.380 2.905 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C)c1nnc(C)[nH]1 ZINC000411190032 381015220 /nfs/dbraw/zinc/01/52/20/381015220.db2.gz HCKQRNWZJRSICZ-ZDUSSCGKSA-N 1 1 270.380 2.905 20 30 CFEDMO C=CCOc1cccc(C[N@@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000368412471 381015991 /nfs/dbraw/zinc/01/59/91/381015991.db2.gz PIMXJAINAMLPLL-QGZVFWFLSA-N 1 1 273.376 2.862 20 30 CFEDMO C=CCOc1cccc(C[N@H+]2CCO[C@@H](C3CC3)C2)c1 ZINC000368412471 381016001 /nfs/dbraw/zinc/01/60/01/381016001.db2.gz PIMXJAINAMLPLL-QGZVFWFLSA-N 1 1 273.376 2.862 20 30 CFEDMO C[C@H](CCC#N)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000411210425 381017722 /nfs/dbraw/zinc/01/77/22/381017722.db2.gz FCFOQWOOYSVNRV-CYBMUJFWSA-N 1 1 286.354 2.512 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000411267445 381021291 /nfs/dbraw/zinc/02/12/91/381021291.db2.gz RNVXMHRZDRWWDU-ZIAGYGMSSA-N 1 1 279.428 2.553 20 30 CFEDMO CCC[N@@H+](C[C@@H](C#N)CCC#N)C[C@H]1CCCCO1 ZINC000411370956 381022549 /nfs/dbraw/zinc/02/25/49/381022549.db2.gz WDJWAYNVYDSMTK-HUUCEWRRSA-N 1 1 263.385 2.711 20 30 CFEDMO C#C[C@H](C)[NH2+]Cc1c(C)nn(-c2ccccc2)c1Cl ZINC000289609742 381065818 /nfs/dbraw/zinc/06/58/18/381065818.db2.gz VQLDPTCSLWJMGE-NSHDSACASA-N 1 1 273.767 2.945 20 30 CFEDMO C[C@H](CNc1nccc(C#N)c1Cl)[N@H+]1CCC[C@H](C)C1 ZINC000341532151 381069266 /nfs/dbraw/zinc/06/92/66/381069266.db2.gz NQWXYEJAWBQEHT-NWDGAFQWSA-N 1 1 292.814 2.561 20 30 CFEDMO C[C@@H](CCC#N)[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000411585257 381034861 /nfs/dbraw/zinc/03/48/61/381034861.db2.gz SERXJEQJRNTRGC-XIRDDKMYSA-N 1 1 286.423 2.698 20 30 CFEDMO COC(=O)[C@]1(C)CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411573247 381034936 /nfs/dbraw/zinc/03/49/36/381034936.db2.gz RZUONCQLMPNSRN-HNNXBMFYSA-N 1 1 278.396 2.878 20 30 CFEDMO COC(=O)[C@]1(C)CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411573247 381034944 /nfs/dbraw/zinc/03/49/44/381034944.db2.gz RZUONCQLMPNSRN-HNNXBMFYSA-N 1 1 278.396 2.878 20 30 CFEDMO C#CC[N@@H+](Cc1c(C)n[nH]c1C)Cc1ccccc1 ZINC000289552748 381038785 /nfs/dbraw/zinc/03/87/85/381038785.db2.gz IPKVHUSQYBOESZ-UHFFFAOYSA-N 1 1 253.349 2.662 20 30 CFEDMO C#CC[N@H+](Cc1c(C)n[nH]c1C)Cc1ccccc1 ZINC000289552748 381038790 /nfs/dbraw/zinc/03/87/90/381038790.db2.gz IPKVHUSQYBOESZ-UHFFFAOYSA-N 1 1 253.349 2.662 20 30 CFEDMO C#C[C@@H](C)[NH2+]Cc1cc2cnn(C(C)C)c2nc1Cl ZINC000289558380 381041281 /nfs/dbraw/zinc/04/12/81/381041281.db2.gz ROGDOLDBWCVUDZ-SNVBAGLBSA-N 1 1 276.771 2.777 20 30 CFEDMO C[C@H]1C[N@@H+](CCOc2ccccc2C#N)CCC1(F)F ZINC000289655822 381088397 /nfs/dbraw/zinc/08/83/97/381088397.db2.gz DZYYDFLEIMLBLE-LBPRGKRZSA-N 1 1 280.318 2.914 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@H](CC)CN1C(C)=O ZINC000354119653 381092306 /nfs/dbraw/zinc/09/23/06/381092306.db2.gz JCHNVVCCIMGAKC-QZTJIDSGSA-N 1 1 299.418 2.780 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000354199696 381137070 /nfs/dbraw/zinc/13/70/70/381137070.db2.gz HDOTULIUFSSAFR-ZBFHGGJFSA-N 1 1 279.428 2.553 20 30 CFEDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(C#N)c(F)c1 ZINC000295890182 381140290 /nfs/dbraw/zinc/14/02/90/381140290.db2.gz HRDXMVORMCWMJI-GVZPALNKSA-N 1 1 287.382 2.973 20 30 CFEDMO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(C#N)c(F)c1 ZINC000295890182 381140320 /nfs/dbraw/zinc/14/03/20/381140320.db2.gz HRDXMVORMCWMJI-GVZPALNKSA-N 1 1 287.382 2.973 20 30 CFEDMO CC(C)CCC[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000368880440 381154801 /nfs/dbraw/zinc/15/48/01/381154801.db2.gz RZKDLQOSIWARSV-UHFFFAOYSA-N 1 1 286.423 2.902 20 30 CFEDMO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(Cl)cc1C#N ZINC000412093974 381157183 /nfs/dbraw/zinc/15/71/83/381157183.db2.gz SAUOEBTXEYIUPR-AAEUAGOBSA-N 1 1 278.783 2.804 20 30 CFEDMO C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccc(Cl)cc1C#N ZINC000412093974 381157190 /nfs/dbraw/zinc/15/71/90/381157190.db2.gz SAUOEBTXEYIUPR-AAEUAGOBSA-N 1 1 278.783 2.804 20 30 CFEDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)cc1C#N ZINC000289736646 381129018 /nfs/dbraw/zinc/12/90/18/381129018.db2.gz IENXJFUTAXQBKI-MRXNPFEDSA-N 1 1 266.348 2.629 20 30 CFEDMO C=CCCC[NH2+][C@@H](C)c1noc(COC(C)C)n1 ZINC000289742377 381130899 /nfs/dbraw/zinc/13/08/99/381130899.db2.gz DZWPFKZZHQTTLC-NSHDSACASA-N 1 1 253.346 2.611 20 30 CFEDMO C=CCCCNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000279356794 194398789 /nfs/dbraw/zinc/39/87/89/194398789.db2.gz SKMHORLDWQTXBJ-INIZCTEOSA-N 1 1 287.407 2.651 20 30 CFEDMO C=CCCCNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000279356794 194398791 /nfs/dbraw/zinc/39/87/91/194398791.db2.gz SKMHORLDWQTXBJ-INIZCTEOSA-N 1 1 287.407 2.651 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000347483267 381178645 /nfs/dbraw/zinc/17/86/45/381178645.db2.gz MBYVCDYUQPKKKE-INIZCTEOSA-N 1 1 266.429 2.827 20 30 CFEDMO C=C[C@@H](CO)[NH2+]Cc1csc(-c2ccc(C)cc2)n1 ZINC000289860117 381191438 /nfs/dbraw/zinc/19/14/38/381191438.db2.gz OMAKIZMDTXEYQY-ZDUSSCGKSA-N 1 1 274.389 2.755 20 30 CFEDMO C=CC[N@H+](C[C@@H]1CCC[C@H](CC)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000183013055 381197956 /nfs/dbraw/zinc/19/79/56/381197956.db2.gz PREOOYHDAYRFOL-ARFHVFGLSA-N 1 1 299.480 2.878 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)CCCc2cnccc2C)n1 ZINC000289881554 381200122 /nfs/dbraw/zinc/20/01/22/381200122.db2.gz WRMRPCHGKMGFMD-UHFFFAOYSA-N 1 1 296.418 2.674 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000289908174 381213067 /nfs/dbraw/zinc/21/30/67/381213067.db2.gz NWHKRTASWRRYGV-OAHLLOKOSA-N 1 1 286.766 2.855 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000289908174 381213075 /nfs/dbraw/zinc/21/30/75/381213075.db2.gz NWHKRTASWRRYGV-OAHLLOKOSA-N 1 1 286.766 2.855 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000289908169 381214451 /nfs/dbraw/zinc/21/44/51/381214451.db2.gz NWHKRTASWRRYGV-HNNXBMFYSA-N 1 1 286.766 2.855 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000289908169 381214456 /nfs/dbraw/zinc/21/44/56/381214456.db2.gz NWHKRTASWRRYGV-HNNXBMFYSA-N 1 1 286.766 2.855 20 30 CFEDMO CN(CC[C@H]1CCCC[N@H+]1C)c1nccc(C#N)c1Cl ZINC000342290046 381251326 /nfs/dbraw/zinc/25/13/26/381251326.db2.gz DCZCKXVDKPBEIL-CYBMUJFWSA-N 1 1 292.814 2.917 20 30 CFEDMO N#Cc1c(C[N@H+]2CCCO[C@H]3CCC[C@H]32)cn2ccccc12 ZINC000369456039 381262790 /nfs/dbraw/zinc/26/27/90/381262790.db2.gz DWUAUCAUJHDVPJ-MSOLQXFVSA-N 1 1 295.386 2.954 20 30 CFEDMO CO[C@H](C)C[N@@H+](CCOc1ccc(C#N)cc1)C(C)C ZINC000354369590 381229704 /nfs/dbraw/zinc/22/97/04/381229704.db2.gz UEWDVEZIICUYHA-CQSZACIVSA-N 1 1 276.380 2.682 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1CCCC#N ZINC000347600133 381247031 /nfs/dbraw/zinc/24/70/31/381247031.db2.gz LFQWIAISXSIXTF-HOTGVXAUSA-N 1 1 271.408 2.885 20 30 CFEDMO C[C@H]1C[N@H+](CCCC#N)[C@@H](C)CN1Cc1ccccc1 ZINC000347600133 381247040 /nfs/dbraw/zinc/24/70/40/381247040.db2.gz LFQWIAISXSIXTF-HOTGVXAUSA-N 1 1 271.408 2.885 20 30 CFEDMO C[C@H]1C[N@@H+](CCCC#N)[C@@H](C)CN1Cc1ccccc1 ZINC000347600133 381247047 /nfs/dbraw/zinc/24/70/47/381247047.db2.gz LFQWIAISXSIXTF-HOTGVXAUSA-N 1 1 271.408 2.885 20 30 CFEDMO C=CCOc1ccccc1CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000354448262 381275919 /nfs/dbraw/zinc/27/59/19/381275919.db2.gz PNLGWIOAHJMXFS-GASCZTMLSA-N 1 1 274.408 2.776 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000354448262 381275924 /nfs/dbraw/zinc/27/59/24/381275924.db2.gz PNLGWIOAHJMXFS-GASCZTMLSA-N 1 1 274.408 2.776 20 30 CFEDMO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000354448262 381275931 /nfs/dbraw/zinc/27/59/31/381275931.db2.gz PNLGWIOAHJMXFS-GASCZTMLSA-N 1 1 274.408 2.776 20 30 CFEDMO C=CC[C@H](C)[C@H](C)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296329591 381350403 /nfs/dbraw/zinc/35/04/03/381350403.db2.gz HFOWMFXSSCVAQD-YHUYYLMFSA-N 1 1 286.419 2.868 20 30 CFEDMO CC[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1ccc(C#N)cc1 ZINC000296335441 381351852 /nfs/dbraw/zinc/35/18/52/381351852.db2.gz HNQRMCRLGAPWEJ-AWEZNQCLSA-N 1 1 281.363 2.795 20 30 CFEDMO C[C@H](C[N@H+](C)C[C@H](C#N)CCC#N)c1nccs1 ZINC000184019269 381355356 /nfs/dbraw/zinc/35/53/56/381355356.db2.gz GRWMQWUGWPOHCB-NEPJUHHUSA-N 1 1 262.382 2.622 20 30 CFEDMO C[C@H](C[N@@H+](C)C[C@H](C#N)CCC#N)c1nccs1 ZINC000184019269 381355360 /nfs/dbraw/zinc/35/53/60/381355360.db2.gz GRWMQWUGWPOHCB-NEPJUHHUSA-N 1 1 262.382 2.622 20 30 CFEDMO C[C@@H](C[N@H+](C)C[C@H](C#N)CCC#N)c1nccs1 ZINC000184019251 381355824 /nfs/dbraw/zinc/35/58/24/381355824.db2.gz GRWMQWUGWPOHCB-RYUDHWBXSA-N 1 1 262.382 2.622 20 30 CFEDMO C[C@@H](C[N@@H+](C)C[C@H](C#N)CCC#N)c1nccs1 ZINC000184019251 381355825 /nfs/dbraw/zinc/35/58/25/381355825.db2.gz GRWMQWUGWPOHCB-RYUDHWBXSA-N 1 1 262.382 2.622 20 30 CFEDMO C#C[C@H]([NH2+]Cc1c(Br)c(C)nn1C)C(C)(C)C ZINC000290277512 381368214 /nfs/dbraw/zinc/36/82/14/381368214.db2.gz YQVRCQIFCUTZHW-NSHDSACASA-N 1 1 298.228 2.629 20 30 CFEDMO C=CCCCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000184076575 381368306 /nfs/dbraw/zinc/36/83/06/381368306.db2.gz MSLFWOBWZNMGAU-RDJZCZTQSA-N 1 1 286.419 2.979 20 30 CFEDMO C#Cc1ccc(CNC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000290296962 381373029 /nfs/dbraw/zinc/37/30/29/381373029.db2.gz HLVZBBYFPPQQQN-GOSISDBHSA-N 1 1 270.420 2.878 20 30 CFEDMO C#Cc1ccc(CNC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000290296962 381373037 /nfs/dbraw/zinc/37/30/37/381373037.db2.gz HLVZBBYFPPQQQN-GOSISDBHSA-N 1 1 270.420 2.878 20 30 CFEDMO CC[N@H+]1CCC[C@H]1CNc1cc(C(C)=O)ccc1C#N ZINC000296458045 381404475 /nfs/dbraw/zinc/40/44/75/381404475.db2.gz JDVDZMHAKYOEBP-HNNXBMFYSA-N 1 1 271.364 2.657 20 30 CFEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000290384244 381405099 /nfs/dbraw/zinc/40/50/99/381405099.db2.gz IIKMYOBFOQSPPP-HNNXBMFYSA-N 1 1 283.379 2.574 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccc(C#N)cc1 ZINC000342542216 381385938 /nfs/dbraw/zinc/38/59/38/381385938.db2.gz SBBLNDDDSQCWAM-CJNGLKHVSA-N 1 1 285.391 2.610 20 30 CFEDMO C[C@H](Cc1[nH]cc[nH+]1)OCc1ccc(CC#N)cc1 ZINC000342546183 381389608 /nfs/dbraw/zinc/38/96/08/381389608.db2.gz MQZCIHMADJJONV-GFCCVEGCSA-N 1 1 255.321 2.624 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000184245742 381391495 /nfs/dbraw/zinc/39/14/95/381391495.db2.gz VZJWBPNZOVMWCQ-LBPRGKRZSA-N 1 1 281.425 2.527 20 30 CFEDMO C#CCCOc1ccc(C[NH2+][C@H](CCO)c2ccco2)cc1 ZINC000184505264 381424467 /nfs/dbraw/zinc/42/44/67/381424467.db2.gz KBQNNJGYESJPLN-QGZVFWFLSA-N 1 1 299.370 2.895 20 30 CFEDMO C[C@@H](c1ccccc1)[N@@H+](CCCC(C)(C)C#N)CC(N)=O ZINC000342607923 381431631 /nfs/dbraw/zinc/43/16/31/381431631.db2.gz RWGAZDQQDWIKGJ-AWEZNQCLSA-N 1 1 287.407 2.865 20 30 CFEDMO C[N@@H+](CC[C@@H]1CCCO1)Cc1cc(C#N)ccc1F ZINC000342607603 381431715 /nfs/dbraw/zinc/43/17/15/381431715.db2.gz QVQCSGQIXAEQPV-AWEZNQCLSA-N 1 1 262.328 2.698 20 30 CFEDMO C[N@@H+](CC[C@H]1CCCO1)Cc1cc(C#N)ccc1F ZINC000342607604 381432550 /nfs/dbraw/zinc/43/25/50/381432550.db2.gz QVQCSGQIXAEQPV-CQSZACIVSA-N 1 1 262.328 2.698 20 30 CFEDMO C=CCOCCC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000347967549 381439846 /nfs/dbraw/zinc/43/98/46/381439846.db2.gz PCIUCICQYZPJHM-INIZCTEOSA-N 1 1 279.355 2.792 20 30 CFEDMO C=CCOCCC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000347967549 381439850 /nfs/dbraw/zinc/43/98/50/381439850.db2.gz PCIUCICQYZPJHM-INIZCTEOSA-N 1 1 279.355 2.792 20 30 CFEDMO N#Cc1ccc(C[N@@H+](C[C@H]2CCCOC2)C2CC2)cc1 ZINC000342678181 381473277 /nfs/dbraw/zinc/47/32/77/381473277.db2.gz SQDDPWLAMDXPIH-MRXNPFEDSA-N 1 1 270.376 2.949 20 30 CFEDMO C=C(C)C[N@@H+](CC(=O)N(C)C(C)C)Cc1ccccc1 ZINC000348226016 381474349 /nfs/dbraw/zinc/47/43/49/381474349.db2.gz IUZQNQRSNDKJHP-UHFFFAOYSA-N 1 1 274.408 2.932 20 30 CFEDMO C=C(C)C[N@H+](CC(=O)N(C)C(C)C)Cc1ccccc1 ZINC000348226016 381474359 /nfs/dbraw/zinc/47/43/59/381474359.db2.gz IUZQNQRSNDKJHP-UHFFFAOYSA-N 1 1 274.408 2.932 20 30 CFEDMO CC#CC[N@H+]1CCC[C@@H](OCc2ccccc2F)C1 ZINC000348230341 381474793 /nfs/dbraw/zinc/47/47/93/381474793.db2.gz NZCJPKABCCULTD-OAHLLOKOSA-N 1 1 261.340 2.830 20 30 CFEDMO C[N@H+](CC(=O)Nc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000342686285 381478975 /nfs/dbraw/zinc/47/89/75/381478975.db2.gz ADESNKYGIMYZRW-UHFFFAOYSA-N 1 1 293.370 2.823 20 30 CFEDMO C[N@@H+](CC(=O)Nc1ccccc1)Cc1ccc(CC#N)cc1 ZINC000342686285 381478978 /nfs/dbraw/zinc/47/89/78/381478978.db2.gz ADESNKYGIMYZRW-UHFFFAOYSA-N 1 1 293.370 2.823 20 30 CFEDMO C=CCOCCC[N@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000348042070 381453728 /nfs/dbraw/zinc/45/37/28/381453728.db2.gz GDRZFIGOJMCLJP-KRWDZBQOSA-N 1 1 275.392 2.523 20 30 CFEDMO C=CCOCCC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000348031755 381454316 /nfs/dbraw/zinc/45/43/16/381454316.db2.gz KYPSSGWRZNWFIG-GOSISDBHSA-N 1 1 289.419 2.951 20 30 CFEDMO C=CCOCCC[N@H+]1CCOC[C@H]1c1ccccc1 ZINC000348030881 381454563 /nfs/dbraw/zinc/45/45/63/381454563.db2.gz JPOPHMDSLWINRA-INIZCTEOSA-N 1 1 261.365 2.653 20 30 CFEDMO C=CCOCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000348035141 381454749 /nfs/dbraw/zinc/45/47/49/381454749.db2.gz OZEIPHPKBJVDHM-KRWDZBQOSA-N 1 1 274.408 2.568 20 30 CFEDMO C=CCOCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000348035141 381454758 /nfs/dbraw/zinc/45/47/58/381454758.db2.gz OZEIPHPKBJVDHM-KRWDZBQOSA-N 1 1 274.408 2.568 20 30 CFEDMO C=CCOCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000348035141 381454764 /nfs/dbraw/zinc/45/47/64/381454764.db2.gz OZEIPHPKBJVDHM-KRWDZBQOSA-N 1 1 274.408 2.568 20 30 CFEDMO C=CCOCCC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000348045009 381456089 /nfs/dbraw/zinc/45/60/89/381456089.db2.gz INMRDAFZLZBFGL-NSHDSACASA-N 1 1 267.373 2.610 20 30 CFEDMO C=CCOCCC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000348050372 381457070 /nfs/dbraw/zinc/45/70/70/381457070.db2.gz MMZHAKCQMWUVET-UHFFFAOYSA-N 1 1 262.397 2.777 20 30 CFEDMO CCOC(=O)C[N@@H+](CCCC(C)(C)C#N)C1CCC1 ZINC000342652522 381458706 /nfs/dbraw/zinc/45/87/06/381458706.db2.gz ZXOPSYUKYZPVEY-UHFFFAOYSA-N 1 1 266.385 2.734 20 30 CFEDMO C=CCCCC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000290516141 381460346 /nfs/dbraw/zinc/46/03/46/381460346.db2.gz KBDQSZVDQNRQNP-UHFFFAOYSA-N 1 1 287.407 2.963 20 30 CFEDMO CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000342670376 381468525 /nfs/dbraw/zinc/46/85/25/381468525.db2.gz RLVMDSYLBYAKKS-KRWDZBQOSA-N 1 1 299.418 2.585 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000184978481 381503562 /nfs/dbraw/zinc/50/35/62/381503562.db2.gz WFSQZMAQACUYKH-STQMWFEESA-N 1 1 264.369 2.601 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](CC)C(=O)Nc1ccc(OC)cc1 ZINC000342730246 381505652 /nfs/dbraw/zinc/50/56/52/381505652.db2.gz IZISNWRAHSLQKP-HNNXBMFYSA-N 1 1 276.380 2.920 20 30 CFEDMO C=CCCC[C@@H](C)NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000342701942 381487657 /nfs/dbraw/zinc/48/76/57/381487657.db2.gz HBJHIUCSEGBQHQ-HUUCEWRRSA-N 1 1 281.444 2.905 20 30 CFEDMO C=CCC[N@H+](C)CCC(=O)NCC1CCCCC1 ZINC000342726020 381501945 /nfs/dbraw/zinc/50/19/45/381501945.db2.gz UHYQHWUDLMKHHB-UHFFFAOYSA-N 1 1 252.402 2.581 20 30 CFEDMO C[C@@H]1CN(Cc2cc(C#N)ccc2F)CC[N@H+](C2CC2)C1 ZINC000296680219 381503177 /nfs/dbraw/zinc/50/31/77/381503177.db2.gz IEDNEHPERMIFDU-CYBMUJFWSA-N 1 1 287.382 2.613 20 30 CFEDMO C[C@H]([NH2+]Cc1nnc2ccccn21)c1ccc(C#N)c(F)c1 ZINC000354961050 381538544 /nfs/dbraw/zinc/53/85/44/381538544.db2.gz PSWPLQPWVMYHGF-NSHDSACASA-N 1 1 295.321 2.591 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000342765742 381524954 /nfs/dbraw/zinc/52/49/54/381524954.db2.gz QWDDNVCTIYBMHI-ROKHWSDSSA-N 1 1 252.402 2.578 20 30 CFEDMO CC[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1nccs1 ZINC000342767899 381526956 /nfs/dbraw/zinc/52/69/56/381526956.db2.gz HMZJPBMFAUSFAI-CYBMUJFWSA-N 1 1 297.387 2.903 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](CC)c1nccs1 ZINC000185105030 381536138 /nfs/dbraw/zinc/53/61/38/381536138.db2.gz NQXGIYYYUCJGMZ-LBPRGKRZSA-N 1 1 281.425 2.608 20 30 CFEDMO C=CCN(CC=C)[C@H](C[NH2+]Cc1cc(C)n(C)n1)C(C)C ZINC000414276813 381574459 /nfs/dbraw/zinc/57/44/59/381574459.db2.gz USBUUHXDDVFYIE-QGZVFWFLSA-N 1 1 290.455 2.517 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000185252660 381578321 /nfs/dbraw/zinc/57/83/21/381578321.db2.gz DMTOTWPYMDZUOL-CYBMUJFWSA-N 1 1 292.448 2.825 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000185252660 381578330 /nfs/dbraw/zinc/57/83/30/381578330.db2.gz DMTOTWPYMDZUOL-CYBMUJFWSA-N 1 1 292.448 2.825 20 30 CFEDMO N#Cc1csc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000342844070 381580847 /nfs/dbraw/zinc/58/08/47/381580847.db2.gz XNYGUOZBGXCHSG-AWEZNQCLSA-N 1 1 262.378 2.622 20 30 CFEDMO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)c1ccncc1F ZINC000342846755 381582852 /nfs/dbraw/zinc/58/28/52/381582852.db2.gz OKPTVJSTNPKHQF-LLVKDONJSA-N 1 1 295.321 2.591 20 30 CFEDMO C=CCOCCN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297332488 381556501 /nfs/dbraw/zinc/55/65/01/381556501.db2.gz CXGLSDLMUSYVCE-UHFFFAOYSA-N 1 1 297.402 2.559 20 30 CFEDMO C=CCCOCCCCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000342890253 381601768 /nfs/dbraw/zinc/60/17/68/381601768.db2.gz WIGGEFSENNPEOD-HOTGVXAUSA-N 1 1 296.455 2.691 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)cc1 ZINC000290936457 381603314 /nfs/dbraw/zinc/60/33/14/381603314.db2.gz PIZPUQVRGGKOQD-KRWDZBQOSA-N 1 1 265.360 2.620 20 30 CFEDMO C[N@H+](CC(=O)Nc1ccc(F)c(C#N)c1)Cc1ccccc1 ZINC000342854231 381586046 /nfs/dbraw/zinc/58/60/46/381586046.db2.gz ZNUGQBYBLBNUOQ-UHFFFAOYSA-N 1 1 297.333 2.768 20 30 CFEDMO C[N@@H+](CC(=O)Nc1ccc(F)c(C#N)c1)Cc1ccccc1 ZINC000342854231 381586054 /nfs/dbraw/zinc/58/60/54/381586054.db2.gz ZNUGQBYBLBNUOQ-UHFFFAOYSA-N 1 1 297.333 2.768 20 30 CFEDMO CCCn1cc[nH+]c1CCCN(C)c1cccnc1C#N ZINC000290900978 381590439 /nfs/dbraw/zinc/59/04/39/381590439.db2.gz FCWIZXIOJDBDMW-UHFFFAOYSA-N 1 1 283.379 2.629 20 30 CFEDMO CCOC(=O)c1sc([C@H](C)[NH2+]CCCC#N)nc1C ZINC000348489409 381592004 /nfs/dbraw/zinc/59/20/04/381592004.db2.gz GOWCBAVQTMQFTO-JTQLQIEISA-N 1 1 281.381 2.583 20 30 CFEDMO CC(C)C[C@H](CO)[N@@H+](C)CCCOc1cccc(C#N)c1 ZINC000185312822 381592852 /nfs/dbraw/zinc/59/28/52/381592852.db2.gz QQIRUQUOKRMUBI-MRXNPFEDSA-N 1 1 290.407 2.666 20 30 CFEDMO Cc1ccccc1C1(O)CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000371331775 381593848 /nfs/dbraw/zinc/59/38/48/381593848.db2.gz KSJFNKBXIPUGBT-UHFFFAOYSA-N 1 1 296.370 2.943 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)cc1 ZINC000414564339 381594804 /nfs/dbraw/zinc/59/48/04/381594804.db2.gz DJSIGYORNOKWLG-GOEBONIOSA-N 1 1 275.392 2.844 20 30 CFEDMO C=C(C)C[N@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000371425803 381623955 /nfs/dbraw/zinc/62/39/55/381623955.db2.gz URRKZNLTTJTGMR-UHFFFAOYSA-N 1 1 273.424 2.596 20 30 CFEDMO CCCCCCC[N@@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000371427126 381624150 /nfs/dbraw/zinc/62/41/50/381624150.db2.gz SYWJZYMWNZHEII-SFHVURJKSA-N 1 1 295.515 2.916 20 30 CFEDMO CCCCCCC[N@H+]1CCC[C@H](CN2CCN(C)CC2)C1 ZINC000371427126 381624154 /nfs/dbraw/zinc/62/41/54/381624154.db2.gz SYWJZYMWNZHEII-SFHVURJKSA-N 1 1 295.515 2.916 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000348546717 381626099 /nfs/dbraw/zinc/62/60/99/381626099.db2.gz NHBMIZKLVIVJNM-NEPJUHHUSA-N 1 1 292.345 2.809 20 30 CFEDMO C=CCOc1ccccc1C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000348547054 381626799 /nfs/dbraw/zinc/62/67/99/381626799.db2.gz NZPJTJQAGUEGPH-GJZGRUSLSA-N 1 1 261.365 2.597 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CN2CC[C@H]3CC[N@@H+](C)[C@@H]3C2)cc1 ZINC000371490459 381642233 /nfs/dbraw/zinc/64/22/33/381642233.db2.gz WZAYZGJUAIFERZ-QGPMSJSTSA-N 1 1 299.418 2.503 20 30 CFEDMO COc1cc(C)c(C[N@H+](C)CC2(C#N)CC2)cc1OC ZINC000343249166 381671088 /nfs/dbraw/zinc/67/10/88/381671088.db2.gz LXXPPQHSUMKDOL-UHFFFAOYSA-N 1 1 274.364 2.748 20 30 CFEDMO COc1cc(C)c(C[N@@H+](C)CC2(C#N)CC2)cc1OC ZINC000343249166 381671095 /nfs/dbraw/zinc/67/10/95/381671095.db2.gz LXXPPQHSUMKDOL-UHFFFAOYSA-N 1 1 274.364 2.748 20 30 CFEDMO COCC[N@H+](CC1(C#N)CC1)[C@H](C)c1ccccc1 ZINC000343317117 381674414 /nfs/dbraw/zinc/67/44/14/381674414.db2.gz BYZNEALMQZNNBH-CQSZACIVSA-N 1 1 258.365 3.000 20 30 CFEDMO COCC[N@@H+](CC1(C#N)CC1)[C@H](C)c1ccccc1 ZINC000343317117 381674418 /nfs/dbraw/zinc/67/44/18/381674418.db2.gz BYZNEALMQZNNBH-CQSZACIVSA-N 1 1 258.365 3.000 20 30 CFEDMO CCCCCCCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000371533721 381651740 /nfs/dbraw/zinc/65/17/40/381651740.db2.gz JEACEWSCMXDIRV-LSDHHAIUSA-N 1 1 266.429 2.900 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359993089 381715321 /nfs/dbraw/zinc/71/53/21/381715321.db2.gz LPQGGYKHMBPQJL-HUUCEWRRSA-N 1 1 291.439 2.649 20 30 CFEDMO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000185612453 381681686 /nfs/dbraw/zinc/68/16/86/381681686.db2.gz JPKYEFPUTXLNNN-YGRLFVJLSA-N 1 1 289.379 2.827 20 30 CFEDMO CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1oc(C)c(C)c1C#N ZINC000185612453 381681689 /nfs/dbraw/zinc/68/16/89/381681689.db2.gz JPKYEFPUTXLNNN-YGRLFVJLSA-N 1 1 289.379 2.827 20 30 CFEDMO CC#CCCCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000185621693 381685778 /nfs/dbraw/zinc/68/57/78/381685778.db2.gz NMKYTCLKZCVSHW-KRWDZBQOSA-N 1 1 298.430 2.913 20 30 CFEDMO CC#CCCCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000185621693 381685787 /nfs/dbraw/zinc/68/57/87/381685787.db2.gz NMKYTCLKZCVSHW-KRWDZBQOSA-N 1 1 298.430 2.913 20 30 CFEDMO CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000185651886 381693294 /nfs/dbraw/zinc/69/32/94/381693294.db2.gz ZEGLJEIZHVFLCB-SWLSCSKDSA-N 1 1 271.364 2.617 20 30 CFEDMO C[C@H](NCc1ccc(C#N)o1)[C@H](c1ccccc1)[NH+](C)C ZINC000185679092 381704737 /nfs/dbraw/zinc/70/47/37/381704737.db2.gz NRLRAFQFQGAMHD-SUMWQHHRSA-N 1 1 283.375 2.932 20 30 CFEDMO Cc1c(Cl)cnc(N2CC[N@H+](C)C[C@H]2C(C)C)c1C#N ZINC000343431744 381706644 /nfs/dbraw/zinc/70/66/44/381706644.db2.gz GYZJWMYJRMHUPB-AWEZNQCLSA-N 1 1 292.814 2.692 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@](CO)(c3ccccc3)C2)s1 ZINC000291285650 381736340 /nfs/dbraw/zinc/73/63/40/381736340.db2.gz PBRVFGNRWAWWKA-KRWDZBQOSA-N 1 1 298.411 2.756 20 30 CFEDMO CC[N@H+]1C[C@@H](C)N(c2ncc(Cl)c(C)c2C#N)C[C@@H]1C ZINC000343482332 381744648 /nfs/dbraw/zinc/74/46/48/381744648.db2.gz WDVYOFBWVHBZPJ-WDEREUQCSA-N 1 1 292.814 2.834 20 30 CFEDMO C[C@@H]1[C@H](Nc2ncc(C#N)cc2Cl)CCC[N@H+]1C ZINC000343483939 381745553 /nfs/dbraw/zinc/74/55/53/381745553.db2.gz VGXSJXSEIDFKSX-BXKDBHETSA-N 1 1 264.760 2.501 20 30 CFEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCC#N)C1 ZINC000360040063 381745655 /nfs/dbraw/zinc/74/56/55/381745655.db2.gz WPQMHWWOJFDWIP-ZBFHGGJFSA-N 1 1 285.391 2.632 20 30 CFEDMO C#CCC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000359999287 381719221 /nfs/dbraw/zinc/71/92/21/381719221.db2.gz NWSCHVNDEBVUKH-SOUVJXGZSA-N 1 1 292.423 2.635 20 30 CFEDMO COc1cc2c(cc1C[NH+]1CCC(C)(C#N)CC1)OCO2 ZINC000355363123 381762879 /nfs/dbraw/zinc/76/28/79/381762879.db2.gz JJRHIDXCSHMZPQ-UHFFFAOYSA-N 1 1 288.347 2.550 20 30 CFEDMO Cc1nc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(Cl)cc1C#N ZINC000292726968 381820695 /nfs/dbraw/zinc/82/06/95/381820695.db2.gz UHTCVCHMHLPVTR-SKDRFNHKSA-N 1 1 290.798 2.952 20 30 CFEDMO CC#CCCNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000361346658 381821490 /nfs/dbraw/zinc/82/14/90/381821490.db2.gz PIQRFQAISUCBCG-DOTOQJQBSA-N 1 1 299.418 2.535 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000361552832 381844580 /nfs/dbraw/zinc/84/45/80/381844580.db2.gz NDYFZTSAROSGII-AWEZNQCLSA-N 1 1 279.428 2.507 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000361471879 381834151 /nfs/dbraw/zinc/83/41/51/381834151.db2.gz VSWKYMPYXICPMU-AWEZNQCLSA-N 1 1 264.413 2.698 20 30 CFEDMO Cc1cc(C[N@H+]2CCC[C@]2(C)CCCO)ccc1C#N ZINC000349143489 381834522 /nfs/dbraw/zinc/83/45/22/381834522.db2.gz BMJBGPFPHJBELN-QGZVFWFLSA-N 1 1 272.392 2.994 20 30 CFEDMO C[C@@H](CO)[N@@H+](CC#Cc1ccc(F)cc1)CC1CCC1 ZINC000361500431 381836689 /nfs/dbraw/zinc/83/66/89/381836689.db2.gz DSBHXLOJKQLJJR-AWEZNQCLSA-N 1 1 275.367 2.660 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000356273054 381838824 /nfs/dbraw/zinc/83/88/24/381838824.db2.gz DMUCMYYOCBHSBW-MRXNPFEDSA-N 1 1 275.396 2.957 20 30 CFEDMO C=CCCCCCN1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361532400 381839418 /nfs/dbraw/zinc/83/94/18/381839418.db2.gz XLHFYWUGKLMGST-UHFFFAOYSA-N 1 1 289.423 2.959 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H]1CCC[C@@H]1O ZINC000356320875 381841772 /nfs/dbraw/zinc/84/17/72/381841772.db2.gz PFOFEHONIMPXKO-KBPBESRZSA-N 1 1 298.308 2.922 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2ccc(C)c(Cl)c2)C1=O ZINC000343614342 381841841 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C=CCCc1ccccc1NC(=O)N1CC[NH+](C)CC1 ZINC000337594789 382846285 /nfs/dbraw/zinc/84/62/85/382846285.db2.gz JHLZTCMDCKOVSZ-UHFFFAOYSA-N 1 1 273.380 2.585 20 30 CFEDMO CC[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000221413673 382798687 /nfs/dbraw/zinc/79/86/87/382798687.db2.gz QORHJCTVKMJTMW-APHBMKBZSA-N 1 1 258.365 2.855 20 30 CFEDMO C=CCCCC[NH2+][C@@H](c1ncc[nH]1)c1cccnc1 ZINC000280095767 194701268 /nfs/dbraw/zinc/70/12/68/194701268.db2.gz MUUOZAHLVLDQGJ-CQSZACIVSA-N 1 1 256.353 2.840 20 30 CFEDMO C=C(C)C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000337440371 382821468 /nfs/dbraw/zinc/82/14/68/382821468.db2.gz ZEHURACXHTYZGW-UHFFFAOYSA-N 1 1 253.349 2.807 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000337476667 382827907 /nfs/dbraw/zinc/82/79/07/382827907.db2.gz YSZSDTZWGRJNME-CQSZACIVSA-N 1 1 260.381 2.714 20 30 CFEDMO CC1(C#N)CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000227352054 382836056 /nfs/dbraw/zinc/83/60/56/382836056.db2.gz KCBMMJZEYYLRCL-UHFFFAOYSA-N 1 1 257.312 2.823 20 30 CFEDMO COc1ccc(C#N)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000227351408 382836394 /nfs/dbraw/zinc/83/63/94/382836394.db2.gz CMMYWVDHUFVDBO-UHFFFAOYSA-N 1 1 269.348 2.693 20 30 CFEDMO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ncccn1 ZINC000576888396 382840310 /nfs/dbraw/zinc/84/03/10/382840310.db2.gz NAFAGRBVAHMPQW-MRXNPFEDSA-N 1 1 278.359 2.906 20 30 CFEDMO CCc1cc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)on1 ZINC000577028190 382844752 /nfs/dbraw/zinc/84/47/52/382844752.db2.gz HGGBGUVLQRNTRC-MRXNPFEDSA-N 1 1 267.332 2.886 20 30 CFEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000228201833 382845592 /nfs/dbraw/zinc/84/55/92/382845592.db2.gz CMCSPDDLHISCLD-HZSPNIEDSA-N 1 1 285.391 2.863 20 30 CFEDMO CCCNC(=O)CCC[N@@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000577505056 382861258 /nfs/dbraw/zinc/86/12/58/382861258.db2.gz CBQISIMBZQLIDF-CQSZACIVSA-N 1 1 287.407 2.857 20 30 CFEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC1(C)C ZINC000577802624 382870729 /nfs/dbraw/zinc/87/07/29/382870729.db2.gz DJVIPLFNKVWWKP-OAHLLOKOSA-N 1 1 275.392 2.639 20 30 CFEDMO COc1cc(C[N@H+](C)Cc2scnc2C)ccc1C#N ZINC000234933630 382875822 /nfs/dbraw/zinc/87/58/22/382875822.db2.gz NSBLOZCZKRHEEO-UHFFFAOYSA-N 1 1 287.388 2.964 20 30 CFEDMO COc1cc(C[N@@H+](C)Cc2scnc2C)ccc1C#N ZINC000234933630 382875824 /nfs/dbraw/zinc/87/58/24/382875824.db2.gz NSBLOZCZKRHEEO-UHFFFAOYSA-N 1 1 287.388 2.964 20 30 CFEDMO COc1cc(C[N@@H+](C)[C@H]2CCSC2)ccc1C#N ZINC000234938891 382875937 /nfs/dbraw/zinc/87/59/37/382875937.db2.gz XKALBPRUGDDRQR-ZDUSSCGKSA-N 1 1 262.378 2.504 20 30 CFEDMO CC1=CCC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000578017283 382882474 /nfs/dbraw/zinc/88/24/74/382882474.db2.gz XGZPASKMFSUKMB-UHFFFAOYSA-N 1 1 257.293 2.618 20 30 CFEDMO CC1=CCC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000578017283 382882477 /nfs/dbraw/zinc/88/24/77/382882477.db2.gz XGZPASKMFSUKMB-UHFFFAOYSA-N 1 1 257.293 2.618 20 30 CFEDMO OCC[N@H+](CC#Cc1ccccc1)Cc1cccc(F)c1 ZINC000494226320 382911093 /nfs/dbraw/zinc/91/10/93/382911093.db2.gz HAHKENDSKWOYCY-UHFFFAOYSA-N 1 1 283.346 2.672 20 30 CFEDMO OCC[N@@H+](CC#Cc1ccccc1)Cc1cccc(F)c1 ZINC000494226320 382911097 /nfs/dbraw/zinc/91/10/97/382911097.db2.gz HAHKENDSKWOYCY-UHFFFAOYSA-N 1 1 283.346 2.672 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCc2cc(OCC)ccc2C1 ZINC000441074259 382894559 /nfs/dbraw/zinc/89/45/59/382894559.db2.gz XNYWEWSRLJYBBN-INIZCTEOSA-N 1 1 275.392 2.771 20 30 CFEDMO N#CCNC(=O)C[N@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000441185468 382899857 /nfs/dbraw/zinc/89/98/57/382899857.db2.gz ZUOUNFDERMBRSM-MQNTZWLQSA-N 1 1 297.402 2.584 20 30 CFEDMO C=CC[N@H+](C[C@H]1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000535797056 382955344 /nfs/dbraw/zinc/95/53/44/382955344.db2.gz MNJLEGUFARRINT-LSDHHAIUSA-N 1 1 299.480 2.878 20 30 CFEDMO N#C[C@@H]1CC[C@H](N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000442786869 382957024 /nfs/dbraw/zinc/95/70/24/382957024.db2.gz CICOCKPVIZOXLP-PMPSAXMXSA-N 1 1 261.413 2.533 20 30 CFEDMO N#C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000442786869 382957030 /nfs/dbraw/zinc/95/70/30/382957030.db2.gz CICOCKPVIZOXLP-PMPSAXMXSA-N 1 1 261.413 2.533 20 30 CFEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2nc(-c3ccccc3)no2)C1 ZINC000442843308 382959784 /nfs/dbraw/zinc/95/97/84/382959784.db2.gz SBBZDHXPFCYCTL-YPMHNXCESA-N 1 1 268.320 2.518 20 30 CFEDMO C[C@H]1C[N@@H+](CC(=O)NC2(C#N)CCCCC2)CC(C)(C)C1 ZINC000541325839 382964957 /nfs/dbraw/zinc/96/49/57/382964957.db2.gz RFIYCLZLCKZEMF-CQSZACIVSA-N 1 1 291.439 2.697 20 30 CFEDMO C=CCN(C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000539008620 382960216 /nfs/dbraw/zinc/96/02/16/382960216.db2.gz AJQKHIYVWALBAN-QLFBSQMISA-N 1 1 293.455 2.713 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C ZINC000495103898 382961716 /nfs/dbraw/zinc/96/17/16/382961716.db2.gz GXNWRBXARZJUES-UONOGXRCSA-N 1 1 298.427 2.567 20 30 CFEDMO C=C(CC)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000456830006 382962074 /nfs/dbraw/zinc/96/20/74/382962074.db2.gz PXMDDEPNDPKPBZ-OAHLLOKOSA-N 1 1 260.381 2.762 20 30 CFEDMO CCSc1cc(C[NH2+]C[C@@H](C#N)CCC#N)ccn1 ZINC000578436903 382921481 /nfs/dbraw/zinc/92/14/81/382921481.db2.gz NKWBFYQNHPYOQY-CYBMUJFWSA-N 1 1 274.393 2.727 20 30 CFEDMO CCCC[C@@H]([NH2+]CC1CCC(C#N)CC1)C(=O)OC ZINC000442108750 382930185 /nfs/dbraw/zinc/93/01/85/382930185.db2.gz OGKBGPUQKUEHDT-JXQTWKCFSA-N 1 1 266.385 2.638 20 30 CFEDMO CCCc1[nH+]ccn1Cc1cccc(C(=O)OC)c1C#N ZINC000534498642 382930963 /nfs/dbraw/zinc/93/09/63/382930963.db2.gz FSOSDFRZTRUXES-UHFFFAOYSA-N 1 1 283.331 2.542 20 30 CFEDMO C[C@H](C#N)C[NH2+]Cc1cccc(-c2ccncc2)c1 ZINC000543623469 382972517 /nfs/dbraw/zinc/97/25/17/382972517.db2.gz FEFXSYLHWJLVAZ-CYBMUJFWSA-N 1 1 251.333 2.998 20 30 CFEDMO C[C@H](C#N)C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000544599362 382975535 /nfs/dbraw/zinc/97/55/35/382975535.db2.gz CEERREOZGLTMAD-SNVBAGLBSA-N 1 1 274.755 2.979 20 30 CFEDMO COCCOC[C@@H]1CC[N@@H+](CCCCC(C)(C)C#N)C1 ZINC000444653698 382975620 /nfs/dbraw/zinc/97/56/20/382975620.db2.gz WTRDZKQCEQVXQV-OAHLLOKOSA-N 1 1 282.428 2.691 20 30 CFEDMO CC[C@H]1C(=O)N(CC)CC[N@H+]1CCCCC(C)(C)C#N ZINC000444684927 382976171 /nfs/dbraw/zinc/97/61/71/382976171.db2.gz MJMDNXCXQMZCBN-AWEZNQCLSA-N 1 1 279.428 2.649 20 30 CFEDMO CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000444684927 382976175 /nfs/dbraw/zinc/97/61/75/382976175.db2.gz MJMDNXCXQMZCBN-AWEZNQCLSA-N 1 1 279.428 2.649 20 30 CFEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444716885 382977610 /nfs/dbraw/zinc/97/76/10/382977610.db2.gz QIIOADCRYWNIKN-GHMZBOCLSA-N 1 1 259.275 2.704 20 30 CFEDMO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444716885 382977614 /nfs/dbraw/zinc/97/76/14/382977614.db2.gz QIIOADCRYWNIKN-GHMZBOCLSA-N 1 1 259.275 2.704 20 30 CFEDMO C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCCCC(C)(C)C#N ZINC000444687535 382978139 /nfs/dbraw/zinc/97/81/39/382978139.db2.gz GSRNGANWVAJREG-CYBMUJFWSA-N 1 1 281.444 2.941 20 30 CFEDMO N#CCSCCC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444719006 382978266 /nfs/dbraw/zinc/97/82/66/382978266.db2.gz XQLXCKOYTXEQJG-SNVBAGLBSA-N 1 1 266.332 2.908 20 30 CFEDMO CC(C)[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CCN1C ZINC000444699842 382978356 /nfs/dbraw/zinc/97/83/56/382978356.db2.gz FSXIWIHBIKRHGW-HNNXBMFYSA-N 1 1 265.445 2.978 20 30 CFEDMO CC(C)[C@@H]1CN(CCCCC(C)(C)C#N)CC[N@@H+]1C ZINC000444699842 382978359 /nfs/dbraw/zinc/97/83/59/382978359.db2.gz FSXIWIHBIKRHGW-HNNXBMFYSA-N 1 1 265.445 2.978 20 30 CFEDMO CC(C)[C@@H]1CN(CCCCC(C)(C)C#N)CC[N@H+]1C ZINC000444699842 382978363 /nfs/dbraw/zinc/97/83/63/382978363.db2.gz FSXIWIHBIKRHGW-HNNXBMFYSA-N 1 1 265.445 2.978 20 30 CFEDMO C=C(CC)C[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444721419 382979813 /nfs/dbraw/zinc/97/98/13/382979813.db2.gz FFMLQZCVAIFVFY-WDEREUQCSA-N 1 1 251.292 2.588 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1CCC[C@@]1(CCC)C(=O)OCC ZINC000444780111 382980875 /nfs/dbraw/zinc/98/08/75/382980875.db2.gz MMGARBOIMFNXQX-HOCLYGCPSA-N 1 1 283.412 2.511 20 30 CFEDMO C=CC[C@@H]1[N@@H+](CC(=O)N(CC)CC)CCCC1(C)C ZINC000444782514 382982343 /nfs/dbraw/zinc/98/23/43/382982343.db2.gz IXOUIVYSCRHQPW-AWEZNQCLSA-N 1 1 266.429 2.922 20 30 CFEDMO C=CC[C@@H]1[N@@H+](C[C@H](C)CS(C)(=O)=O)CCCC1(C)C ZINC000444793174 382982628 /nfs/dbraw/zinc/98/26/28/382982628.db2.gz RHQVOTPVJVEBKT-KBPBESRZSA-N 1 1 287.469 2.734 20 30 CFEDMO CC#CCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000495362679 382983421 /nfs/dbraw/zinc/98/34/21/382983421.db2.gz QYJAWYSUUQDZIN-KBPBESRZSA-N 1 1 280.412 2.635 20 30 CFEDMO C=CCCC[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000445297640 382984166 /nfs/dbraw/zinc/98/41/66/382984166.db2.gz MUJYXXZQZBBGSR-UHFFFAOYSA-N 1 1 264.335 2.911 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CCCCC(C)(C)C1 ZINC000446070732 382987867 /nfs/dbraw/zinc/98/78/67/382987867.db2.gz KNQPVYOGGTUHEF-MRXNPFEDSA-N 1 1 279.428 2.553 20 30 CFEDMO CCC1(CC)CC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000446714160 382991229 /nfs/dbraw/zinc/99/12/29/382991229.db2.gz FQXKMKIDBFYNFT-UHFFFAOYSA-N 1 1 291.439 2.841 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C(C)C)C1 ZINC000446735643 382991372 /nfs/dbraw/zinc/99/13/72/382991372.db2.gz PLOCRETWVQDTDF-HUUCEWRRSA-N 1 1 266.429 2.777 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@H](C(C)C)C1 ZINC000446709662 382991535 /nfs/dbraw/zinc/99/15/35/382991535.db2.gz APYHRVOPMFPMAH-GJZGRUSLSA-N 1 1 264.413 2.553 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000495496729 382992150 /nfs/dbraw/zinc/99/21/50/382992150.db2.gz GKWVPKWGDGUHJC-CYBMUJFWSA-N 1 1 268.401 2.798 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000495587176 382999429 /nfs/dbraw/zinc/99/94/29/382999429.db2.gz GDEQQDLVMNFEND-HNNXBMFYSA-N 1 1 268.401 2.799 20 30 CFEDMO Cn1c2ccccc2cc(C[N@H+](CCC#N)CC2CC2)c1=O ZINC000579310953 383001564 /nfs/dbraw/zinc/00/15/64/383001564.db2.gz SZRHAXMXEVXZEH-UHFFFAOYSA-N 1 1 295.386 2.664 20 30 CFEDMO Cn1c2ccccc2cc(C[N@@H+](CCC#N)CC2CC2)c1=O ZINC000579310953 383001572 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C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000443636458 382969666 /nfs/dbraw/zinc/96/96/66/382969666.db2.gz BIPMOXUBAQIDBY-CABCVRRESA-N 1 1 266.429 2.779 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000578973022 382970462 /nfs/dbraw/zinc/97/04/62/382970462.db2.gz WRAXROUXUIBGRF-WDEREUQCSA-N 1 1 264.291 2.722 20 30 CFEDMO N#CCCC[N@@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000495818842 383031891 /nfs/dbraw/zinc/03/18/91/383031891.db2.gz SRJKTUQBYFCBPQ-OAHLLOKOSA-N 1 1 293.411 2.813 20 30 CFEDMO CCCNC(=O)OC[C@H]1CCCC[N@H+]1CCC(C)(C)C#N ZINC000495834048 383032356 /nfs/dbraw/zinc/03/23/56/383032356.db2.gz ACPSEHRSPMATHM-CQSZACIVSA-N 1 1 295.427 2.917 20 30 CFEDMO C=CCCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000447965614 383035518 /nfs/dbraw/zinc/03/55/18/383035518.db2.gz IVBHAHCUAZSXSF-CQSZACIVSA-N 1 1 281.444 2.762 20 30 CFEDMO C=CCCCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000447973418 383036776 /nfs/dbraw/zinc/03/67/76/383036776.db2.gz BEDABWLNYSVPJJ-UHFFFAOYSA-N 1 1 281.444 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CC[N@H+](Cc1ccc2c(c1)OCO2)CC1(C#N)CCC1 ZINC000450256469 383388312 /nfs/dbraw/zinc/38/83/12/383388312.db2.gz QGRBNAHJVPPGRH-UHFFFAOYSA-N 1 1 272.348 2.931 20 30 CFEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)CC1(C#N)CCC1 ZINC000450256469 383388316 /nfs/dbraw/zinc/38/83/16/383388316.db2.gz QGRBNAHJVPPGRH-UHFFFAOYSA-N 1 1 272.348 2.931 20 30 CFEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(CC#N)cc2)C1 ZINC000425914225 383392440 /nfs/dbraw/zinc/39/24/40/383392440.db2.gz GSMJVWVEHDRXJT-RHSMWYFYSA-N 1 1 272.392 2.736 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000426152144 383395261 /nfs/dbraw/zinc/39/52/61/383395261.db2.gz GNVSGORMAHQQJY-NEPJUHHUSA-N 1 1 292.345 2.732 20 30 CFEDMO OCC[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000426263344 383396744 /nfs/dbraw/zinc/39/67/44/383396744.db2.gz LHHNGFCSYDUGPF-AWEZNQCLSA-N 1 1 263.768 2.538 20 30 CFEDMO OCC[C@@H]1CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000426263344 383396747 /nfs/dbraw/zinc/39/67/47/383396747.db2.gz LHHNGFCSYDUGPF-AWEZNQCLSA-N 1 1 263.768 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/nfs/dbraw/zinc/12/92/94/384129294.db2.gz NRZCCWMKXVPUQY-UHFFFAOYSA-N 1 1 258.300 2.705 20 30 CFEDMO C=CCCC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000637623582 384139993 /nfs/dbraw/zinc/13/99/93/384139993.db2.gz HXDRZWFPKRAQOZ-HUUCEWRRSA-N 1 1 295.471 2.960 20 30 CFEDMO C=CCN1CC[C@@H](N(C)c2cc(C(C)(C)C)cc[nH+]2)C1=O ZINC000641550061 384224398 /nfs/dbraw/zinc/22/43/98/384224398.db2.gz KAULXSFBURHSBP-CQSZACIVSA-N 1 1 287.407 2.602 20 30 CFEDMO CC#CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000277277150 384252766 /nfs/dbraw/zinc/25/27/66/384252766.db2.gz BWCVRRXXCJDOOZ-OAHLLOKOSA-N 1 1 290.794 2.616 20 30 CFEDMO C#CC[N@H+](CC)Cc1cc(=O)oc2cc(CC)ccc12 ZINC000266904396 384257293 /nfs/dbraw/zinc/25/72/93/384257293.db2.gz HJWBNRLFBCSECF-UHFFFAOYSA-N 1 1 269.344 2.811 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266967211 384272089 /nfs/dbraw/zinc/27/20/89/384272089.db2.gz YOZUOQDFLJLTQL-OAHLLOKOSA-N 1 1 266.348 2.661 20 30 CFEDMO CN(C)C(C)(C)CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000267127026 384304799 /nfs/dbraw/zinc/30/47/99/384304799.db2.gz AFUQREKTNGYFPJ-UHFFFAOYSA-N 1 1 288.439 2.632 20 30 CFEDMO N#Cc1ccc(CNC[C@@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000277471544 384312007 /nfs/dbraw/zinc/31/20/07/384312007.db2.gz KHCDDQSUNJUTKF-INIZCTEOSA-N 1 1 287.382 2.804 20 30 CFEDMO N#Cc1ccc(CNC[C@@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000277471544 384312014 /nfs/dbraw/zinc/31/20/14/384312014.db2.gz KHCDDQSUNJUTKF-INIZCTEOSA-N 1 1 287.382 2.804 20 30 CFEDMO OC[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000267362255 384367882 /nfs/dbraw/zinc/36/78/82/384367882.db2.gz IJMHYWANLFIOLR-AWEZNQCLSA-N 1 1 297.320 2.761 20 30 CFEDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(C#N)cc1F ZINC000277662507 384368303 /nfs/dbraw/zinc/36/83/03/384368303.db2.gz DWYKFOBFIXOWSP-INIZCTEOSA-N 1 1 276.355 2.824 20 30 CFEDMO C#CC[N@@H+](CC)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000267233199 384331161 /nfs/dbraw/zinc/33/11/61/384331161.db2.gz CYSGUQUZVSVCBE-CQSZACIVSA-N 1 1 298.386 2.907 20 30 CFEDMO C#CC[N@H+](CC)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000267233199 384331168 /nfs/dbraw/zinc/33/11/68/384331168.db2.gz CYSGUQUZVSVCBE-CQSZACIVSA-N 1 1 298.386 2.907 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)c2ccc(Cl)c(C#N)n2)[C@@H](C)C1 ZINC000267248806 384334614 /nfs/dbraw/zinc/33/46/14/384334614.db2.gz UEZDWDIONLUWPL-FZMZJTMJSA-N 1 1 292.814 2.773 20 30 CFEDMO Cc1ccc(C#N)c(NC[C@H]2CCCC[N@H+]2C2CC2)n1 ZINC000277552318 384334832 /nfs/dbraw/zinc/33/48/32/384334832.db2.gz XUGQGEXSFYJRKO-OAHLLOKOSA-N 1 1 270.380 2.691 20 30 CFEDMO CCN(CC)C(=[NH2+])NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000267453622 384396097 /nfs/dbraw/zinc/39/60/97/384396097.db2.gz SBYNPRWYUVSGCZ-AWEZNQCLSA-N 1 1 290.455 2.772 20 30 CFEDMO C#CC[NH+]1CCC(c2nc([C@@H](C)SCC)no2)CC1 ZINC000277717355 384384831 /nfs/dbraw/zinc/38/48/31/384384831.db2.gz AMNWDNXRIOMJJX-LLVKDONJSA-N 1 1 279.409 2.696 20 30 CFEDMO Cc1nsc(N2CC[NH+]([C@@H]3C=CCCC3)CC2)c1C#N ZINC000289431169 197343683 /nfs/dbraw/zinc/34/36/83/197343683.db2.gz JDBHIYNIGYBVRA-CYBMUJFWSA-N 1 1 288.420 2.554 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCCN(c3nccs3)CC2)cc1 ZINC000289429749 197342716 /nfs/dbraw/zinc/34/27/16/197342716.db2.gz VLNIBMGHRVOGRW-UHFFFAOYSA-N 1 1 297.427 2.837 20 30 CFEDMO C=CC[NH+](CC=C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000267881107 384482661 /nfs/dbraw/zinc/48/26/61/384482661.db2.gz OJUBYRGJKPCHNI-CABCVRRESA-N 1 1 272.392 2.926 20 30 CFEDMO C#CC[NH+]1CCC(c2nc(Cc3cccc(C)c3)no2)CC1 ZINC000278210464 384499428 /nfs/dbraw/zinc/49/94/28/384499428.db2.gz WCCKVLYMRKLDHA-UHFFFAOYSA-N 1 1 295.386 2.781 20 30 CFEDMO COc1ccnc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000330256230 533069915 /nfs/dbraw/zinc/06/99/15/533069915.db2.gz BOUYWIMDWSVPMK-LBPRGKRZSA-N 1 1 277.368 2.943 20 30 CFEDMO CC[N@@H+](Cc1cc(C#N)ccc1Br)C[C@H](C)O ZINC000352218959 220299281 /nfs/dbraw/zinc/29/92/81/220299281.db2.gz ANNLSKFJKYJSQO-JTQLQIEISA-N 1 1 297.196 2.523 20 30 CFEDMO CC[N@H+](Cc1cc(C#N)ccc1Br)C[C@H](C)O ZINC000352218959 220299285 /nfs/dbraw/zinc/29/92/85/220299285.db2.gz ANNLSKFJKYJSQO-JTQLQIEISA-N 1 1 297.196 2.523 20 30 CFEDMO Cc1c[nH+]c(NCCCCC#N)nc1NCCCCC#N ZINC000268019378 384511088 /nfs/dbraw/zinc/51/10/88/384511088.db2.gz YKDABCZSFNGGEN-UHFFFAOYSA-N 1 1 286.383 2.997 20 30 CFEDMO COC(=O)c1coc([C@H](C)[NH2+]Cc2cccc(C#N)c2)c1 ZINC000278339009 384534061 /nfs/dbraw/zinc/53/40/61/384534061.db2.gz XDDPGIITQRZMJT-NSHDSACASA-N 1 1 284.315 2.789 20 30 CFEDMO C#C[C@H](C)[NH2+]Cc1c[nH]c(=NC(=O)OC(C)(C)C)s1 ZINC000289354133 197308909 /nfs/dbraw/zinc/30/89/09/197308909.db2.gz JNHHQKHNIQRPOL-VIFPVBQESA-N 1 1 281.381 2.601 20 30 CFEDMO C=C(Cl)C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268324988 384602882 /nfs/dbraw/zinc/60/28/82/384602882.db2.gz LBKFBLJIMLWLLF-NEPJUHHUSA-N 1 1 255.745 2.920 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268324988 384602883 /nfs/dbraw/zinc/60/28/83/384602883.db2.gz LBKFBLJIMLWLLF-NEPJUHHUSA-N 1 1 255.745 2.920 20 30 CFEDMO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H](C2CC2)O1 ZINC000279365099 384614233 /nfs/dbraw/zinc/61/42/33/384614233.db2.gz RJFGLKFFMHUIPB-BLLLJJGKSA-N 1 1 256.349 2.558 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H](C2CC2)O1 ZINC000279365099 384614237 /nfs/dbraw/zinc/61/42/37/384614237.db2.gz RJFGLKFFMHUIPB-BLLLJJGKSA-N 1 1 256.349 2.558 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCc2ccccc2[C@H]1CO ZINC000268506080 384628161 /nfs/dbraw/zinc/62/81/61/384628161.db2.gz URHMEIGCVLSLGR-MRXNPFEDSA-N 1 1 272.392 2.908 20 30 CFEDMO N#C[C@H]1CC[C@H]([NH+]2CCN(CCc3ccccc3)CC2)C1 ZINC000278786692 384596913 /nfs/dbraw/zinc/59/69/13/384596913.db2.gz ZZDSXMTWRJWARN-ROUUACIJSA-N 1 1 283.419 2.539 20 30 CFEDMO Cc1oc(NC(=O)C[N@H+]2C[C@H](C)CC2(C)C)c(C#N)c1C ZINC000269491561 384768265 /nfs/dbraw/zinc/76/82/65/384768265.db2.gz YYZHYXPGNYDHDM-SNVBAGLBSA-N 1 1 289.379 2.827 20 30 CFEDMO Cc1oc(NC(=O)C[N@@H+]2C[C@H](C)CC2(C)C)c(C#N)c1C ZINC000269491561 384768274 /nfs/dbraw/zinc/76/82/74/384768274.db2.gz YYZHYXPGNYDHDM-SNVBAGLBSA-N 1 1 289.379 2.827 20 30 CFEDMO C=CCCC[C@@H](C)[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638837654 384970189 /nfs/dbraw/zinc/97/01/89/384970189.db2.gz WOLNAIDRUGTCQP-CQSZACIVSA-N 1 1 268.445 2.556 20 30 CFEDMO C[N@H+]1CC[C@H](Nc2ccc(C#N)cn2)[C@H]1c1ccccc1 ZINC000270304795 385047999 /nfs/dbraw/zinc/04/79/99/385047999.db2.gz QYKLTWBRXFZHAH-DOTOQJQBSA-N 1 1 278.359 2.811 20 30 CFEDMO CC#CCC[N@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000280605644 385081502 /nfs/dbraw/zinc/08/15/02/385081502.db2.gz XIZSOWQDYLVERD-LBPRGKRZSA-N 1 1 292.404 2.788 20 30 CFEDMO CC#CCC[N@@H+]1CCC[C@H]1c1nc(C(=O)OC)c(C)s1 ZINC000280605644 385081507 /nfs/dbraw/zinc/08/15/07/385081507.db2.gz XIZSOWQDYLVERD-LBPRGKRZSA-N 1 1 292.404 2.788 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@@H]1Cn1c(C)nc2ccccc21 ZINC000270525019 385133776 /nfs/dbraw/zinc/13/37/76/385133776.db2.gz NGJKCAPAAWOUFP-OAHLLOKOSA-N 1 1 267.376 2.832 20 30 CFEDMO C#CCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000270689210 385191761 /nfs/dbraw/zinc/19/17/61/385191761.db2.gz ZZWGUYAWVFHAQC-SJLPKXTDSA-N 1 1 270.420 2.995 20 30 CFEDMO CC[N@@H+](C[C@@H](C)C(=O)OC)[C@H](C)c1ccc(C#N)cc1 ZINC000270691546 385192185 /nfs/dbraw/zinc/19/21/85/385192185.db2.gz CFTACZMYPXTEOE-CHWSQXEVSA-N 1 1 274.364 2.750 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+]1CC[C@H](c2ccc(CC)cc2)C1 ZINC000645008237 385161211 /nfs/dbraw/zinc/16/12/11/385161211.db2.gz PSWIVNMFTDVPBY-IRXDYDNUSA-N 1 1 259.393 2.975 20 30 CFEDMO C=CCN1CC[C@H]([N@H+]([C@H](C)c2ccco2)C2CC2)C1=O ZINC000282094979 385210479 /nfs/dbraw/zinc/21/04/79/385210479.db2.gz VPTCHPWDOYTWRE-OCCSQVGLSA-N 1 1 274.364 2.592 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]([C@H](C)c2ccco2)C2CC2)C1=O ZINC000282094979 385210488 /nfs/dbraw/zinc/21/04/88/385210488.db2.gz VPTCHPWDOYTWRE-OCCSQVGLSA-N 1 1 274.364 2.592 20 30 CFEDMO C=CCN1CC[C@H]([N@H+]2CCCCC[C@@H]2c2ccco2)C1=O ZINC000282136585 385222915 /nfs/dbraw/zinc/22/29/15/385222915.db2.gz ZFVANIWOGGDJNX-CABCVRRESA-N 1 1 288.391 2.984 20 30 CFEDMO C#CCCC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000271037263 385314397 /nfs/dbraw/zinc/31/43/97/385314397.db2.gz LZGABBUBRAVDKW-UHFFFAOYSA-N 1 1 253.349 2.922 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@](C)(CC)OC ZINC000639160982 385264071 /nfs/dbraw/zinc/26/40/71/385264071.db2.gz IHWLGKXGVAKPKK-MRXNPFEDSA-N 1 1 281.396 2.965 20 30 CFEDMO C=CCCC[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000270911851 385268161 /nfs/dbraw/zinc/26/81/61/385268161.db2.gz SWFOQUFAZAPYOQ-ZDUSSCGKSA-N 1 1 260.385 2.828 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000270911851 385268168 /nfs/dbraw/zinc/26/81/68/385268168.db2.gz SWFOQUFAZAPYOQ-ZDUSSCGKSA-N 1 1 260.385 2.828 20 30 CFEDMO C=CCCC[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000270911851 385268173 /nfs/dbraw/zinc/26/81/73/385268173.db2.gz SWFOQUFAZAPYOQ-ZDUSSCGKSA-N 1 1 260.385 2.828 20 30 CFEDMO COc1cc(C[N@H+]2CCC3(C2)CCOCC3)ccc1C#N ZINC000282307753 385279055 /nfs/dbraw/zinc/27/90/55/385279055.db2.gz MUPZVCJDNQADNX-UHFFFAOYSA-N 1 1 286.375 2.569 20 30 CFEDMO C#CCCC[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000270966098 385284753 /nfs/dbraw/zinc/28/47/53/385284753.db2.gz OUTXMAGLDJJNFF-AWEZNQCLSA-N 1 1 296.208 2.828 20 30 CFEDMO C#CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270974491 385288329 /nfs/dbraw/zinc/28/83/29/385288329.db2.gz BGTSJAMGMKTFDO-UHFFFAOYSA-N 1 1 258.321 2.973 20 30 CFEDMO C#CCCC[N@H+](CC)Cc1ccc(OC)cc1OC ZINC000271070601 385328260 /nfs/dbraw/zinc/32/82/60/385328260.db2.gz VPNUZQXQRYBDLM-UHFFFAOYSA-N 1 1 261.365 2.939 20 30 CFEDMO Cc1cc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)[nH]n1 ZINC000283003767 385422521 /nfs/dbraw/zinc/42/25/21/385422521.db2.gz KVIIZCNSKJJYGF-GFCCVEGCSA-N 1 1 270.336 2.562 20 30 CFEDMO Cc1cc([C@@H]2CCC[N@H+](Cc3ccc(C#N)o3)C2)n[nH]1 ZINC000283003767 385422523 /nfs/dbraw/zinc/42/25/23/385422523.db2.gz KVIIZCNSKJJYGF-GFCCVEGCSA-N 1 1 270.336 2.562 20 30 CFEDMO Cc1cc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)n[nH]1 ZINC000283003767 385422525 /nfs/dbraw/zinc/42/25/25/385422525.db2.gz KVIIZCNSKJJYGF-GFCCVEGCSA-N 1 1 270.336 2.562 20 30 CFEDMO 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JGENEBLAEGBBLG-UHFFFAOYSA-N 1 1 263.360 2.519 20 30 CFEDMO CC(C)[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C#N)C1 ZINC000134980520 394207545 /nfs/dbraw/zinc/20/75/45/394207545.db2.gz XAFFVYPHFYJYOA-HNNXBMFYSA-N 1 1 285.391 2.865 20 30 CFEDMO C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccccc1C(C)(C)C#N ZINC000135186636 394212760 /nfs/dbraw/zinc/21/27/60/394212760.db2.gz DPZDNTPXNWFKMZ-DZGCQCFKSA-N 1 1 299.418 2.574 20 30 CFEDMO Cn1cc(C[N@H+]2CC[C@@H](C3CCCC3)C2)cc1C#N ZINC000421387161 394215373 /nfs/dbraw/zinc/21/53/73/394215373.db2.gz IGMZVCPXARQSJI-OAHLLOKOSA-N 1 1 257.381 2.909 20 30 CFEDMO C=CC[NH+]1CCC(N[C@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000289583530 394220370 /nfs/dbraw/zinc/22/03/70/394220370.db2.gz DYRKPMJUNUMYAH-CYBMUJFWSA-N 1 1 290.407 2.702 20 30 CFEDMO CC(C)[N@@H+](Cc1cc(C#N)ccc1F)[C@H]1CCOC1 ZINC000291747671 394257777 /nfs/dbraw/zinc/25/77/77/394257777.db2.gz KJRXXZUYUBJHSN-AWEZNQCLSA-N 1 1 262.328 2.697 20 30 CFEDMO C[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000366795389 394247930 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ZINC000363476145 394196039 /nfs/dbraw/zinc/19/60/39/394196039.db2.gz SNWCNPIPZAKEBO-CQSZACIVSA-N 1 1 275.400 2.765 20 30 CFEDMO C=CCOc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000151118498 394261348 /nfs/dbraw/zinc/26/13/48/394261348.db2.gz MKQKOBCFVMUYDC-GOEBONIOSA-N 1 1 286.419 2.966 20 30 CFEDMO C=CCOc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000151118498 394261351 /nfs/dbraw/zinc/26/13/51/394261351.db2.gz MKQKOBCFVMUYDC-GOEBONIOSA-N 1 1 286.419 2.966 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+](C)C1(C(=O)OCC)CCCCC1 ZINC000151206758 394261423 /nfs/dbraw/zinc/26/14/23/394261423.db2.gz WBZXINVEDDUFDJ-CQSZACIVSA-N 1 1 283.412 2.511 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000151348420 394262054 /nfs/dbraw/zinc/26/20/54/394262054.db2.gz RENRQVZRZHSHNS-MSOLQXFVSA-N 1 1 289.419 2.647 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000151351381 394262310 /nfs/dbraw/zinc/26/23/10/394262310.db2.gz ZMLWZOOCHVSFKA-RDBSUJKOSA-N 1 1 255.427 2.674 20 30 CFEDMO CC[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(C#N)cc1 ZINC000368102620 394267536 /nfs/dbraw/zinc/26/75/36/394267536.db2.gz PHBNDQYGNARURL-GJZGRUSLSA-N 1 1 280.375 2.880 20 30 CFEDMO C=CCOc1cccc(C[N@@H+]2CC[C@H](CO)[C@@H]2CC)c1 ZINC000449419087 394276210 /nfs/dbraw/zinc/27/62/10/394276210.db2.gz GUXPZKZYSOGHOB-WBVHZDCISA-N 1 1 275.392 2.844 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)s1 ZINC000449556945 394281309 /nfs/dbraw/zinc/28/13/09/394281309.db2.gz TZBLVJVHWKEWST-FRRDWIJNSA-N 1 1 276.405 2.603 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000449554474 394281779 /nfs/dbraw/zinc/28/17/79/394281779.db2.gz OIVHRGSOCZZPFX-KFWWJZLASA-N 1 1 264.413 2.799 20 30 CFEDMO C[C@H]([NH2+][C@H](CN)C1CCCC1)c1ccc(C#N)cc1 ZINC000423514332 394286982 /nfs/dbraw/zinc/28/69/82/394286982.db2.gz WHMRPWHIJWQBSR-BLLLJJGKSA-N 1 1 257.381 2.726 20 30 CFEDMO C=CC[N@H+](C)Cc1cccc(OC)c1OC(F)F ZINC000154775524 394301635 /nfs/dbraw/zinc/30/16/35/394301635.db2.gz MWUZYZHSVGHRSR-UHFFFAOYSA-N 1 1 257.280 2.914 20 30 CFEDMO N#CCCCC[N@H+]1CCC[C@@H](Cc2nnc3ccccn32)C1 ZINC000372049847 394304466 /nfs/dbraw/zinc/30/44/66/394304466.db2.gz WRBFEYFTDGITPL-HNNXBMFYSA-N 1 1 297.406 2.678 20 30 CFEDMO COc1ccc(C#N)cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000156113058 394329529 /nfs/dbraw/zinc/32/95/29/394329529.db2.gz AFOKRANPEWOUNO-CQSZACIVSA-N 1 1 286.375 2.568 20 30 CFEDMO Cc1oc(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(C#N)c1C ZINC000156866996 394339436 /nfs/dbraw/zinc/33/94/36/394339436.db2.gz DRJBEKPVQPCLLB-UWVGGRQHSA-N 1 1 275.352 2.579 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c(Cl)c1 ZINC000494117013 394341918 /nfs/dbraw/zinc/34/19/18/394341918.db2.gz PQWPLMVLQNGGFY-UHFFFAOYSA-N 1 1 299.761 2.871 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)c(Cl)c1 ZINC000494117013 394341922 /nfs/dbraw/zinc/34/19/22/394341922.db2.gz PQWPLMVLQNGGFY-UHFFFAOYSA-N 1 1 299.761 2.871 20 30 CFEDMO C=CC[N@H+](CCCOCC)Cc1cccc(C#N)c1 ZINC000159751363 394365705 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CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(C#N)c1C ZINC000178566350 394389643 /nfs/dbraw/zinc/38/96/43/394389643.db2.gz VLGDAOWRNSYGIP-GFCCVEGCSA-N 1 1 288.395 2.719 20 30 CFEDMO N#Cc1c2c(cnc1NC[C@@H]1CC[N@H+]1C1CCCC1)CCC2 ZINC000528212262 394403360 /nfs/dbraw/zinc/40/33/60/394403360.db2.gz SGEFZEXIWFSTOD-HNNXBMFYSA-N 1 1 296.418 2.871 20 30 CFEDMO COc1cc(C#N)ccc1Cn1cc[nH+]c1C1CC1 ZINC000530129881 394456379 /nfs/dbraw/zinc/45/63/79/394456379.db2.gz PPKVBUYHFFTBRW-UHFFFAOYSA-N 1 1 253.305 2.689 20 30 CFEDMO C=CCCC[N@H+](CC)[C@H](C)CNC(=O)[C@H](C)C(F)(F)F ZINC001154648849 781997508 /nfs/dbraw/zinc/99/75/08/781997508.db2.gz JBNBKZSGKYOJDJ-NEPJUHHUSA-N 1 1 294.361 2.978 20 30 CFEDMO C[N@@H+](CCOc1cccc(C#N)c1)CCc1ccccc1O ZINC000541393296 394673048 /nfs/dbraw/zinc/67/30/48/394673048.db2.gz NUTUCBJTZUSPTG-UHFFFAOYSA-N 1 1 296.370 2.817 20 30 CFEDMO Cn1cc(C(C)(C)[NH2+]Cc2ccc(Cl)cc2C#N)cn1 ZINC000547831182 394894301 /nfs/dbraw/zinc/89/43/01/394894301.db2.gz SERJUKDMTHCSMV-UHFFFAOYSA-N 1 1 288.782 2.970 20 30 CFEDMO C[C@H]1C[C@H](C)[NH+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000548097722 394909985 /nfs/dbraw/zinc/90/99/85/394909985.db2.gz YXKYVOOEMOWQGQ-QWRGUYRKSA-N 1 1 268.320 2.591 20 30 CFEDMO C=CCOCCC[N@H+]1CCO[C@@](C)(c2ccccc2)C1 ZINC000564747506 395082054 /nfs/dbraw/zinc/08/20/54/395082054.db2.gz MISLBIVJBSEVFT-QGZVFWFLSA-N 1 1 275.392 2.827 20 30 CFEDMO C[C@H](NCC1(C#N)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567774057 395083710 /nfs/dbraw/zinc/08/37/10/395083710.db2.gz PUZMDBNMGJJEAJ-DOTOQJQBSA-N 1 1 283.419 2.790 20 30 CFEDMO C=CCN(C)CC[N@H+](CC)CCc1ncc(C)cc1C ZINC000567771262 395083875 /nfs/dbraw/zinc/08/38/75/395083875.db2.gz XDTRPBWGJHJKRU-UHFFFAOYSA-N 1 1 275.440 2.681 20 30 CFEDMO C=CC[N@@H+](C)CCN(CC)CCc1ncc(C)cc1C ZINC000567771262 395083880 /nfs/dbraw/zinc/08/38/80/395083880.db2.gz XDTRPBWGJHJKRU-UHFFFAOYSA-N 1 1 275.440 2.681 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)CCc1ncc(C)cc1C ZINC000567771262 395083882 /nfs/dbraw/zinc/08/38/82/395083882.db2.gz XDTRPBWGJHJKRU-UHFFFAOYSA-N 1 1 275.440 2.681 20 30 CFEDMO C=C(C)COc1cc(C[N@H+]2CC[C@@H](O)[C@H]2C)ccc1OC ZINC000648800620 395317871 /nfs/dbraw/zinc/31/78/71/395317871.db2.gz KTNHRDRKBRMEKR-UKRRQHHQSA-N 1 1 291.391 2.605 20 30 CFEDMO C=CCOc1cccc(CN2CC[C@@H]([NH3+])[C@H](CC)C2)c1 ZINC000647498244 395361782 /nfs/dbraw/zinc/36/17/82/395361782.db2.gz DBINTGLOYGDFRX-NVXWUHKLSA-N 1 1 274.408 2.811 20 30 CFEDMO C=CCOc1ccccc1CN1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647499117 395364644 /nfs/dbraw/zinc/36/46/44/395364644.db2.gz ZVFBUGFSQITCIQ-GDBMZVCRSA-N 1 1 274.408 2.811 20 30 CFEDMO C=CCC(CC=C)C(=O)N(CCC)[C@@H]1CC[N@@H+](C)C1 ZINC000648999102 395392309 /nfs/dbraw/zinc/39/23/09/395392309.db2.gz ZTTILNFCMOIQBO-OAHLLOKOSA-N 1 1 264.413 2.698 20 30 CFEDMO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000648999292 395393003 /nfs/dbraw/zinc/39/30/03/395393003.db2.gz VSPVCSALALKQDX-INIZCTEOSA-N 1 1 286.419 2.932 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1cccc(Br)c1 ZINC000649254359 395461572 /nfs/dbraw/zinc/46/15/72/395461572.db2.gz GEQVABAIEFHBAR-ZDUSSCGKSA-N 1 1 284.197 2.818 20 30 CFEDMO C=CCCCC[N@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000649286614 395467785 /nfs/dbraw/zinc/46/77/85/395467785.db2.gz KKXWPIDABCOLIV-UHFFFAOYSA-N 1 1 261.369 2.617 20 30 CFEDMO C=CCCCC[N@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000649588965 395533606 /nfs/dbraw/zinc/53/36/06/395533606.db2.gz RRQNNVBJLYCXFK-QWRGUYRKSA-N 1 1 251.292 2.994 20 30 CFEDMO C=CCCCC[N@@H+]1C[C@@H](C(F)(F)F)OC[C@@H]1C ZINC000649588965 395533608 /nfs/dbraw/zinc/53/36/08/395533608.db2.gz RRQNNVBJLYCXFK-QWRGUYRKSA-N 1 1 251.292 2.994 20 30 CFEDMO C=CCC(CC=C)C(=O)N1[C@H](C)C[N@@H+](C)[C@H](C)[C@@H]1C ZINC000650153034 395617202 /nfs/dbraw/zinc/61/72/02/395617202.db2.gz NXNRWZNMZKXICG-MCIONIFRSA-N 1 1 264.413 2.694 20 30 CFEDMO CC[C@](C)(C#N)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000396380890 397555319 /nfs/dbraw/zinc/55/53/19/397555319.db2.gz LHLXXMYOSOJCMO-CRAIPNDOSA-N 1 1 299.418 2.659 20 30 CFEDMO CC[C@](C)(C#N)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000396380890 397555321 /nfs/dbraw/zinc/55/53/21/397555321.db2.gz LHLXXMYOSOJCMO-CRAIPNDOSA-N 1 1 299.418 2.659 20 30 CFEDMO C[N@H+](CCCC#N)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000122401448 397601069 /nfs/dbraw/zinc/60/10/69/397601069.db2.gz CBYYBLYLELVVRQ-UHFFFAOYSA-N 1 1 298.289 2.752 20 30 CFEDMO C[N@@H+](CCCC#N)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000122401448 397601071 /nfs/dbraw/zinc/60/10/71/397601071.db2.gz CBYYBLYLELVVRQ-UHFFFAOYSA-N 1 1 298.289 2.752 20 30 CFEDMO CCCCC(N)=[NH+]OCc1csc([C@H](C)OC)n1 ZINC000177566312 397609189 /nfs/dbraw/zinc/60/91/89/397609189.db2.gz UDNPTXGJYNYUOD-VIFPVBQESA-N 1 1 271.386 2.830 20 30 CFEDMO CCN(C(=O)CO[NH+]=C(N)C1CCCC1)c1ccccc1 ZINC000177553696 397609253 /nfs/dbraw/zinc/60/92/53/397609253.db2.gz QTABECLSCFHGGA-UHFFFAOYSA-N 1 1 289.379 2.519 20 30 CFEDMO CC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccccc1C#N ZINC000222149806 397622070 /nfs/dbraw/zinc/62/20/70/397622070.db2.gz ATESIHOPWODGKY-HZPDHXFCSA-N 1 1 288.391 2.562 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)Cc1csc([N+](=O)[O-])c1 ZINC000411638113 413234379 /nfs/dbraw/zinc/23/43/79/413234379.db2.gz GXOVDTNPRZAESL-UHFFFAOYSA-N 1 1 283.397 2.596 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000411635217 413234741 /nfs/dbraw/zinc/23/47/41/413234741.db2.gz BGJHFSJMZLDBGA-CYBMUJFWSA-N 1 1 294.443 2.868 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC(O)C1 ZINC000356423119 155261305 /nfs/dbraw/zinc/26/13/05/155261305.db2.gz VNSTUCGQBLEXDT-UHFFFAOYSA-N 1 1 284.281 2.532 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1CO ZINC000356425820 155261389 /nfs/dbraw/zinc/26/13/89/155261389.db2.gz NNFLRBSJPDFGAS-YGRLFVJLSA-N 1 1 298.308 2.780 20 30 CFEDMO C=CCCNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000660385763 413280624 /nfs/dbraw/zinc/28/06/24/413280624.db2.gz NQCKVUOOXFNQDX-UHFFFAOYSA-N 1 1 289.423 2.902 20 30 CFEDMO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H](CO)c1ccccc1 ZINC000343113561 154116951 /nfs/dbraw/zinc/11/69/51/154116951.db2.gz GMORPVXFVCMFQR-KRWDZBQOSA-N 1 1 284.334 2.863 20 30 CFEDMO C[N@@H+](Cc1cc(C#N)ccc1F)[C@@H](CO)c1ccccc1 ZINC000343113561 154116954 /nfs/dbraw/zinc/11/69/54/154116954.db2.gz GMORPVXFVCMFQR-KRWDZBQOSA-N 1 1 284.334 2.863 20 30 CFEDMO CC(=O)Nc1cccc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000343283017 154166500 /nfs/dbraw/zinc/16/65/00/154166500.db2.gz NAEGFTRDQGNOFI-UHFFFAOYSA-N 1 1 297.333 2.946 20 30 CFEDMO Cc1ccc(C#N)cc1NCc1ncc(C[NH+](C)C)s1 ZINC000348111024 154324369 /nfs/dbraw/zinc/32/43/69/154324369.db2.gz HCOVGMWGLQHKAF-UHFFFAOYSA-N 1 1 286.404 2.997 20 30 CFEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000355744960 155073176 /nfs/dbraw/zinc/07/31/76/155073176.db2.gz OAKMYQWNGBXJAS-IJLUTSLNSA-N 1 1 291.420 2.925 20 30 CFEDMO C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC(=O)Nc2sccc2C#N)C1 ZINC000355744960 155073179 /nfs/dbraw/zinc/07/31/79/155073179.db2.gz OAKMYQWNGBXJAS-IJLUTSLNSA-N 1 1 291.420 2.925 20 30 CFEDMO C=CCC1(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCC1 ZINC000663680051 413316672 /nfs/dbraw/zinc/31/66/72/413316672.db2.gz DIXKDADNHJGGSG-LSDHHAIUSA-N 1 1 291.439 2.801 20 30 CFEDMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1nc2ccccn2c1C#N ZINC000360132382 156029729 /nfs/dbraw/zinc/02/97/29/156029729.db2.gz GPDGVTBFBWNIOV-OKILXGFUSA-N 1 1 297.406 2.881 20 30 CFEDMO CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)c2cccc(C#N)c2)C1 ZINC000360152925 156035178 /nfs/dbraw/zinc/03/51/78/156035178.db2.gz ZOVVDEJAXJFODG-ZBFHGGJFSA-N 1 1 299.418 2.510 20 30 CFEDMO C[C@H](CNC(=O)c1ccc(C#N)s1)[N@H+]1CCCC[C@H]1C ZINC000362956542 156126782 /nfs/dbraw/zinc/12/67/82/156126782.db2.gz ACJFYBTVEZIUPB-VXGBXAGGSA-N 1 1 291.420 2.612 20 30 CFEDMO Cc1cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)ccc1C#N ZINC000362968200 156131125 /nfs/dbraw/zinc/13/11/25/156131125.db2.gz WUWNBSFFSFFTRO-HNNXBMFYSA-N 1 1 270.376 2.868 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000363897178 156204997 /nfs/dbraw/zinc/20/49/97/156204997.db2.gz BWQSUUXRRVNRKI-UHFFFAOYSA-N 1 1 286.375 2.569 20 30 CFEDMO Cn1cc(C[N@@H+]2CC[C@](F)(c3ccccc3)C2)cc1C#N ZINC000367163416 156291501 /nfs/dbraw/zinc/29/15/01/156291501.db2.gz KFGZPZGXUXSMCA-QGZVFWFLSA-N 1 1 283.350 2.967 20 30 CFEDMO Cn1cc(C[N@H+]2CC[C@](F)(c3ccccc3)C2)cc1C#N ZINC000367163416 156291505 /nfs/dbraw/zinc/29/15/05/156291505.db2.gz KFGZPZGXUXSMCA-QGZVFWFLSA-N 1 1 283.350 2.967 20 30 CFEDMO C=CCCn1cc(C[N@H+]([C@@H](C)C2CC2)C2CC2)nn1 ZINC000653496350 413333446 /nfs/dbraw/zinc/33/34/46/413333446.db2.gz OFOPMXIKTLOURX-LBPRGKRZSA-N 1 1 260.385 2.617 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C)CC[C@H]2CCc3ccccc32)C1=O ZINC000660464750 413337708 /nfs/dbraw/zinc/33/77/08/413337708.db2.gz SRQGWBYSTREREX-AEFFLSMTSA-N 1 1 298.430 2.825 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCCO[C@H]3CCC[C@@H]32)s1 ZINC000374255306 157089723 /nfs/dbraw/zinc/08/97/23/157089723.db2.gz QDGBDMVITWAAKO-KBPBESRZSA-N 1 1 262.378 2.763 20 30 CFEDMO N#Cc1ccccc1OCC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375277354 157217119 /nfs/dbraw/zinc/21/71/19/157217119.db2.gz JEVHBXYZNAXIMZ-WBVHZDCISA-N 1 1 286.375 2.580 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)s1 ZINC000375305036 157223413 /nfs/dbraw/zinc/22/34/13/157223413.db2.gz VOVMQEVZSXYJKQ-CQSZACIVSA-N 1 1 262.378 2.622 20 30 CFEDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)cc3)C2)no1 ZINC000375765183 157280498 /nfs/dbraw/zinc/28/04/98/157280498.db2.gz PKDZGVMUAOGVQP-OAHLLOKOSA-N 1 1 282.347 2.629 20 30 CFEDMO C=CCCn1cc(C[NH2+]C(C)(C)c2ccccc2)nn1 ZINC000653540814 413355632 /nfs/dbraw/zinc/35/56/32/413355632.db2.gz VBTMBVGHHHFXHW-UHFFFAOYSA-N 1 1 270.380 2.879 20 30 CFEDMO C=CCCC[N@H+](C)C[C@H]1CN(c2ccccc2)CCO1 ZINC000653557703 413363667 /nfs/dbraw/zinc/36/36/67/413363667.db2.gz CMLCPDGBWXNFQL-KRWDZBQOSA-N 1 1 274.408 2.790 20 30 CFEDMO C=CCCn1cc(C[NH2+]Cc2ccc(Cl)cc2)nn1 ZINC000657291496 413403248 /nfs/dbraw/zinc/40/32/48/413403248.db2.gz VSQOHMWNPZFQOR-UHFFFAOYSA-N 1 1 276.771 2.797 20 30 CFEDMO C=CCCn1cc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)nn1 ZINC000653654032 413429954 /nfs/dbraw/zinc/42/99/54/413429954.db2.gz WVHLPHKIQGARSU-CQSZACIVSA-N 1 1 262.401 2.865 20 30 CFEDMO C=CCCn1cc(C[N@@H+](CC2CC2)C2CCC2)nn1 ZINC000653654594 413429538 /nfs/dbraw/zinc/42/95/38/413429538.db2.gz YKOYVKYHCOTNPY-UHFFFAOYSA-N 1 1 260.385 2.619 20 30 CFEDMO C=CCCn1cc(C[NH2+]CCO[C@H]2CCCC[C@H]2C)nn1 ZINC000657318248 413440360 /nfs/dbraw/zinc/44/03/60/413440360.db2.gz OGDYPZAYTHAFDH-ZBFHGGJFSA-N 1 1 292.427 2.539 20 30 CFEDMO CC[N@H+]1C[C@@H](C)N(c2ccc(Cl)c(C#N)n2)C[C@@H]1C ZINC000345168403 162192941 /nfs/dbraw/zinc/19/29/41/162192941.db2.gz FNVLTIOPDXQHGJ-WDEREUQCSA-N 1 1 278.787 2.526 20 30 CFEDMO CC(C)C[N@@H+](CCn1ccnc1)Cc1ccc(C#N)cc1 ZINC000346312350 162380510 /nfs/dbraw/zinc/38/05/10/162380510.db2.gz PLRXHLVLHWHLBO-UHFFFAOYSA-N 1 1 282.391 2.913 20 30 CFEDMO C[NH+](C)Cc1cnc(CNc2ccc(F)c(C#N)c2)s1 ZINC000351567993 163148185 /nfs/dbraw/zinc/14/81/85/163148185.db2.gz LMLRYXLPLHTYAQ-UHFFFAOYSA-N 1 1 290.367 2.828 20 30 CFEDMO C=CCCC(C)(C)NC(=O)NCC[N@H+](C)[C@H](C)CC ZINC000663942912 413456470 /nfs/dbraw/zinc/45/64/70/413456470.db2.gz XNRXVMLANUXVAI-CYBMUJFWSA-N 1 1 269.433 2.761 20 30 CFEDMO N#Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353028407 163289988 /nfs/dbraw/zinc/28/99/88/163289988.db2.gz NQTLLPQPEBVTJA-SNVBAGLBSA-N 1 1 284.281 2.758 20 30 CFEDMO N#Cc1ccc(F)cc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353028407 163289985 /nfs/dbraw/zinc/28/99/85/163289985.db2.gz NQTLLPQPEBVTJA-SNVBAGLBSA-N 1 1 284.281 2.758 20 30 CFEDMO CCC[N@@H+]1CCC[C@H]1CNCc1ccc(C#N)cc1 ZINC000353141404 163315848 /nfs/dbraw/zinc/31/58/48/163315848.db2.gz QWGKPHIJKRGQIY-INIZCTEOSA-N 1 1 257.381 2.522 20 30 CFEDMO CCC[N@H+]1CCC[C@H]1CNCc1ccc(C#N)cc1 ZINC000353141404 163315850 /nfs/dbraw/zinc/31/58/50/163315850.db2.gz QWGKPHIJKRGQIY-INIZCTEOSA-N 1 1 257.381 2.522 20 30 CFEDMO N#Cc1ccc(OCC[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284374041 196042013 /nfs/dbraw/zinc/04/20/13/196042013.db2.gz FDSOVMQYLGXOBR-DLBZAZTESA-N 1 1 286.375 2.580 20 30 CFEDMO C=CCCCC[N@@H+]1CCCN(c2nc(CC)ns2)CC1 ZINC000575132414 335070759 /nfs/dbraw/zinc/07/07/59/335070759.db2.gz ITSZGUIRGUYKJW-UHFFFAOYSA-N 1 1 294.468 2.969 20 30 CFEDMO CC(C)[C@@H](C[NH2+]Cc1cccc(C#N)c1)N1CCCC1 ZINC000020200653 171064547 /nfs/dbraw/zinc/06/45/47/171064547.db2.gz AMPFZGSANHPQCM-QGZVFWFLSA-N 1 1 271.408 2.768 20 30 CFEDMO CC(C)[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N1CCCC1 ZINC000020200816 171064610 /nfs/dbraw/zinc/06/46/10/171064610.db2.gz XDIRFJSVCNZJCK-QGZVFWFLSA-N 1 1 271.408 2.768 20 30 CFEDMO C=CCOc1ccc(OCCc2c[nH+]cn2C)cc1 ZINC000663983409 413489804 /nfs/dbraw/zinc/48/98/04/413489804.db2.gz GJEMJMAIHDCROA-UHFFFAOYSA-N 1 1 258.321 2.606 20 30 CFEDMO OCC1([N@@H+](CC#Cc2ccc(F)cc2)C2CC2)CCC1 ZINC000660772654 413550306 /nfs/dbraw/zinc/55/03/06/413550306.db2.gz KVEWCCZRZVBIJN-UHFFFAOYSA-N 1 1 273.351 2.557 20 30 CFEDMO COc1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)ccc1C#N ZINC000285059637 196188159 /nfs/dbraw/zinc/18/81/59/196188159.db2.gz LOHHZWPQSATENV-HOTGVXAUSA-N 1 1 286.375 2.710 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)s1 ZINC000285067763 196188743 /nfs/dbraw/zinc/18/87/43/196188743.db2.gz LUUFQYLZHCCFDJ-ZIAGYGMSSA-N 1 1 262.378 2.763 20 30 CFEDMO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)c1ccccn1 ZINC000035236735 172074571 /nfs/dbraw/zinc/07/45/71/172074571.db2.gz YWBOKDSUYZYSON-LLVKDONJSA-N 1 1 255.296 2.943 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000285221736 196224785 /nfs/dbraw/zinc/22/47/85/196224785.db2.gz RTZTWHFSUSHRGD-MSOLQXFVSA-N 1 1 285.387 2.842 20 30 CFEDMO CC#CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285415361 196277803 /nfs/dbraw/zinc/27/78/03/196277803.db2.gz BPFMNNNSWWELPN-ZACQAIPSSA-N 1 1 255.361 2.514 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000660991536 413698194 /nfs/dbraw/zinc/69/81/94/413698194.db2.gz LRIIYIAGHYFLCF-KBPBESRZSA-N 1 1 281.444 2.903 20 30 CFEDMO C=CC[C@H](CC)NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000661121361 413768755 /nfs/dbraw/zinc/76/87/55/413768755.db2.gz CQVMYROMARAYFM-STQMWFEESA-N 1 1 267.417 2.513 20 30 CFEDMO CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000661150982 413789614 /nfs/dbraw/zinc/78/96/14/413789614.db2.gz VWECMOKMKMEFCF-OAHLLOKOSA-N 1 1 286.375 2.894 20 30 CFEDMO CC(=O)c1ccccc1OCC[N@H+]1CCC[C@H](CC#N)C1 ZINC000661150982 413789623 /nfs/dbraw/zinc/78/96/23/413789623.db2.gz VWECMOKMKMEFCF-OAHLLOKOSA-N 1 1 286.375 2.894 20 30 CFEDMO C=CCC[C@@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1ccco1 ZINC000285520274 196313328 /nfs/dbraw/zinc/31/33/28/196313328.db2.gz BCQVYVYGCGFQPS-HZPDHXFCSA-N 1 1 291.439 2.512 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661208670 413820501 /nfs/dbraw/zinc/82/05/01/413820501.db2.gz BTNWPFMQVQFVLG-CQSZACIVSA-N 1 1 286.419 2.513 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+]2CCCC3(CCCC3)CC2)C1=O ZINC000661231887 413833161 /nfs/dbraw/zinc/83/31/61/413833161.db2.gz WFYHKTVAHLAWDF-OAHLLOKOSA-N 1 1 276.424 2.820 20 30 CFEDMO C=CC[N@H+](CCOc1cccc(OC)c1)[C@H](C)COC ZINC000661241366 413840413 /nfs/dbraw/zinc/84/04/13/413840413.db2.gz WOVOVYAIMYGKBW-CQSZACIVSA-N 1 1 279.380 2.597 20 30 CFEDMO C=CC[N@@H+](Cc1cncc(Br)c1)[C@H](C)COC ZINC000661240948 413841622 /nfs/dbraw/zinc/84/16/22/413841622.db2.gz UJHTUZLECDBZFH-LLVKDONJSA-N 1 1 299.212 2.867 20 30 CFEDMO C=CC[N@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)[C@H](C)COC ZINC000661243475 413847510 /nfs/dbraw/zinc/84/75/10/413847510.db2.gz KXJHNWVNRSEEKD-ARFHVFGLSA-N 1 1 296.455 2.546 20 30 CFEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)[C@H](C)COC ZINC000661243475 413847515 /nfs/dbraw/zinc/84/75/15/413847515.db2.gz KXJHNWVNRSEEKD-ARFHVFGLSA-N 1 1 296.455 2.546 20 30 CFEDMO C=CC[N@H+](CC(=O)N(C)C1CCC(C)CC1)[C@H](C)COC ZINC000661246129 413850786 /nfs/dbraw/zinc/85/07/86/413850786.db2.gz HSZKXFZLSCTDJD-HWOWSKLDSA-N 1 1 296.455 2.546 20 30 CFEDMO C=CC[N@@H+](CC(=O)N(C)C1CCC(C)CC1)[C@H](C)COC ZINC000661246129 413850793 /nfs/dbraw/zinc/85/07/93/413850793.db2.gz HSZKXFZLSCTDJD-HWOWSKLDSA-N 1 1 296.455 2.546 20 30 CFEDMO 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ZINC000448102564 260836904 /nfs/dbraw/zinc/83/69/04/260836904.db2.gz KXUVOLLRWHIYGK-AWEZNQCLSA-N 1 1 267.417 2.516 20 30 CFEDMO C#CC[N@H+](CC)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000490853995 261230739 /nfs/dbraw/zinc/23/07/39/261230739.db2.gz WWXKZRXZCGQRAQ-ZDUSSCGKSA-N 1 1 285.309 2.564 20 30 CFEDMO C=CCOc1ccccc1CNC[C@@H](C)[N@H+](C)C1CC1 ZINC000105489520 261358977 /nfs/dbraw/zinc/35/89/77/261358977.db2.gz NETIQTNVPCWSBW-CQSZACIVSA-N 1 1 274.408 2.824 20 30 CFEDMO C=CCOc1ccccc1CNC[C@@H](C)[N@@H+](C)C1CC1 ZINC000105489520 261358980 /nfs/dbraw/zinc/35/89/80/261358980.db2.gz NETIQTNVPCWSBW-CQSZACIVSA-N 1 1 274.408 2.824 20 30 CFEDMO CC[C@](C)(C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000309723476 262008866 /nfs/dbraw/zinc/00/88/66/262008866.db2.gz MUOSCDCNRHKUPU-QILLFSRXSA-N 1 1 299.418 2.705 20 30 CFEDMO C[C@H](C[NH+]1CCN(CC#N)CC1)c1cccc(Cl)c1 ZINC000187144110 262125873 /nfs/dbraw/zinc/12/58/73/262125873.db2.gz VFXNYLDQHXFKAJ-CYBMUJFWSA-N 1 1 277.799 2.585 20 30 CFEDMO C[C@@H]1C[C@@H](C)[N@H+](CCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497300377 262137373 /nfs/dbraw/zinc/13/73/73/262137373.db2.gz MKFUBMYXBOXCKF-MGPQQGTHSA-N 1 1 295.427 2.771 20 30 CFEDMO C[C@@H]1C[C@@H](C)[N@@H+](CCC#N)C[C@H]1CNC(=O)OC(C)(C)C ZINC000497300377 262137374 /nfs/dbraw/zinc/13/73/74/262137374.db2.gz MKFUBMYXBOXCKF-MGPQQGTHSA-N 1 1 295.427 2.771 20 30 CFEDMO CC#CCC[N@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000497304692 262139795 /nfs/dbraw/zinc/13/97/95/262139795.db2.gz MXJAAQXAISQCHD-HUUCEWRRSA-N 1 1 292.423 2.589 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC000497314373 262141025 /nfs/dbraw/zinc/14/10/25/262141025.db2.gz NBECKOUFEKBTIB-QWHCGFSZSA-N 1 1 266.385 2.504 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000191497753 262192483 /nfs/dbraw/zinc/19/24/83/262192483.db2.gz GPDYCXKZNFJVHM-AWEZNQCLSA-N 1 1 260.385 2.708 20 30 CFEDMO CCCn1ccnc1CCC[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000191513602 262192667 /nfs/dbraw/zinc/19/26/67/262192667.db2.gz XLABVNQEXBUQMQ-OAHLLOKOSA-N 1 1 287.411 2.601 20 30 CFEDMO C#CC[C@H](C)[NH2+][C@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000364351733 262213750 /nfs/dbraw/zinc/21/37/50/262213750.db2.gz HNJRLMFAUJYAPH-JZXOWHBKSA-N 1 1 270.420 2.898 20 30 CFEDMO CC#CC[N@@H+](C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000364370812 262219150 /nfs/dbraw/zinc/21/91/50/262219150.db2.gz BGIHWTXQUASLEO-UHFFFAOYSA-N 1 1 294.402 2.554 20 30 CFEDMO N#CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000364393067 262227055 /nfs/dbraw/zinc/22/70/55/262227055.db2.gz IVJMDNOYAMRIAB-IAGOWNOFSA-N 1 1 297.402 2.556 20 30 CFEDMO CC#CC[NH2+][C@H](c1cnn(C)c1)c1ccc(F)c(Cl)c1 ZINC000364476877 262248725 /nfs/dbraw/zinc/24/87/25/262248725.db2.gz MGPWJXHKCGQQPC-HNNXBMFYSA-N 1 1 291.757 2.915 20 30 CFEDMO C[C@H]1[C@H](N2CCCC2)CC[N@H+]1CC(C)(C)CCC#N ZINC000367688430 262250738 /nfs/dbraw/zinc/25/07/38/262250738.db2.gz RWAHQHZGLULDGK-LSDHHAIUSA-N 1 1 263.429 2.875 20 30 CFEDMO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC(C)(C)CCC#N ZINC000367688430 262250739 /nfs/dbraw/zinc/25/07/39/262250739.db2.gz RWAHQHZGLULDGK-LSDHHAIUSA-N 1 1 263.429 2.875 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC2(C#N)CCCCC2)C1 ZINC000367700418 262261887 /nfs/dbraw/zinc/26/18/87/262261887.db2.gz BWVCPHSWLAZOPT-MRXNPFEDSA-N 1 1 295.402 2.542 20 30 CFEDMO CC(C)CCC[N@H+]1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000364850625 262262298 /nfs/dbraw/zinc/26/22/98/262262298.db2.gz CAGHPRQONQQSJY-RDTXWAMCSA-N 1 1 297.402 2.768 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000368785620 262263151 /nfs/dbraw/zinc/26/31/51/262263151.db2.gz WAODHQFPAXGZGY-SFHVURJKSA-N 1 1 297.402 2.912 20 30 CFEDMO C[N@H+]1CC[C@H]2CCN(CCCCC(C)(C)C#N)C[C@@H]21 ZINC000365235719 262353429 /nfs/dbraw/zinc/35/34/29/262353429.db2.gz RMOZCLXBHSANPK-GJZGRUSLSA-N 1 1 263.429 2.732 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000365252477 262354915 /nfs/dbraw/zinc/35/49/15/262354915.db2.gz BPJRSQOGNKDMPP-IRXDYDNUSA-N 1 1 255.361 2.682 20 30 CFEDMO C(#Cc1ccccc1)C[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000365252478 262355069 /nfs/dbraw/zinc/35/50/69/262355069.db2.gz BPJRSQOGNKDMPP-SJORKVTESA-N 1 1 255.361 2.682 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000117883320 262359734 /nfs/dbraw/zinc/35/97/34/262359734.db2.gz XUTBALNSCPCERE-LLVKDONJSA-N 1 1 265.382 2.512 20 30 CFEDMO C=CCCC[N@H+]1CCC[C@@H]1C(=O)Nc1nccs1 ZINC000117883320 262359736 /nfs/dbraw/zinc/35/97/36/262359736.db2.gz XUTBALNSCPCERE-LLVKDONJSA-N 1 1 265.382 2.512 20 30 CFEDMO CSC[C@@H]1CCC[N@@H+](CCCSCC#N)C1 ZINC000336681908 262379325 /nfs/dbraw/zinc/37/93/25/262379325.db2.gz RVNOXPPICWYDCJ-GFCCVEGCSA-N 1 1 258.456 2.708 20 30 CFEDMO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000336783840 262394651 /nfs/dbraw/zinc/39/46/51/262394651.db2.gz GWDTWIMZJIKEKA-CYBMUJFWSA-N 1 1 252.402 2.942 20 30 CFEDMO C[C@@H]1[N@@H+](CCCC2(C#N)CCOCC2)CCOC1(C)C ZINC000337147620 262427068 /nfs/dbraw/zinc/42/70/68/262427068.db2.gz GNCQUPWATBHIIL-AWEZNQCLSA-N 1 1 280.412 2.586 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CC[C@H](Cc3ccccc3)[C@H]2C)C1=O ZINC000337196833 262432124 /nfs/dbraw/zinc/43/21/24/262432124.db2.gz WQBYXSFRSDWYSF-NXHRZFHOSA-N 1 1 298.430 2.726 20 30 CFEDMO CCCn1nccc1C1CC[NH+](CC2(C#N)CC2)CC1 ZINC000337358820 262447296 /nfs/dbraw/zinc/44/72/96/262447296.db2.gz GQTMQGDCBCTMFE-UHFFFAOYSA-N 1 1 272.396 2.776 20 30 CFEDMO C=CCCC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338673741 262555584 /nfs/dbraw/zinc/55/55/84/262555584.db2.gz DDKRYTXJUNYSOY-ZNMIVQPWSA-N 1 1 264.413 2.816 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1c(C)nn(-c2ccccn2)c1C ZINC000338937467 262572360 /nfs/dbraw/zinc/57/23/60/262572360.db2.gz RYFAGODGCPNGKN-AWEZNQCLSA-N 1 1 283.379 2.666 20 30 CFEDMO CCOC(=O)[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)Cc2ccccc21 ZINC000339042883 262586838 /nfs/dbraw/zinc/58/68/38/262586838.db2.gz CIRJQHXUZNSJMJ-UKPHBRMFSA-N 1 1 298.386 2.841 20 30 CFEDMO C=CCOCC[N@@H+](Cc1ccccc1)C[C@@](C)(O)CC ZINC000339113422 262602514 /nfs/dbraw/zinc/60/25/14/262602514.db2.gz FQTYRKZCSDEREY-KRWDZBQOSA-N 1 1 277.408 2.852 20 30 CFEDMO C=CCOCC[N@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339443568 262644074 /nfs/dbraw/zinc/64/40/74/262644074.db2.gz XTRSDJIEERNELG-GFCCVEGCSA-N 1 1 281.318 2.621 20 30 CFEDMO C=CCOCC[N@@H+]1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000339443568 262644077 /nfs/dbraw/zinc/64/40/77/262644077.db2.gz XTRSDJIEERNELG-GFCCVEGCSA-N 1 1 281.318 2.621 20 30 CFEDMO C#CCCC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366544495 262695289 /nfs/dbraw/zinc/69/52/89/262695289.db2.gz MGYZWBYLCNBDRI-HUUCEWRRSA-N 1 1 292.423 2.731 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)Cc1nc(C2CC2)cs1 ZINC000411639231 262700431 /nfs/dbraw/zinc/70/04/31/262700431.db2.gz IQVOLHNPMOBRMP-UHFFFAOYSA-N 1 1 279.453 2.960 20 30 CFEDMO C[C@H]1CC[N@@H+](CCC(C)(C)C#N)C[C@H]1n1ccnc1 ZINC000271948751 263000632 /nfs/dbraw/zinc/00/06/32/263000632.db2.gz ANEKKFNZXHKBGL-UONOGXRCSA-N 1 1 260.385 2.706 20 30 CFEDMO C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(C)(C#N)CC1 ZINC000272612929 263007617 /nfs/dbraw/zinc/00/76/17/263007617.db2.gz SOEXLRUEZMAFBJ-OAHLLOKOSA-N 1 1 299.418 2.659 20 30 CFEDMO Cc1cccc([C@H]2CC[N@H+](CCC(=O)N(C)CCC#N)C2)c1 ZINC000273119269 263012881 /nfs/dbraw/zinc/01/28/81/263012881.db2.gz RGUOOOFTMOFHLM-KRWDZBQOSA-N 1 1 299.418 2.547 20 30 CFEDMO C[C@@H](CCC#N)[NH+]1CCN(c2ccccc2F)CC1 ZINC000276282053 263035738 /nfs/dbraw/zinc/03/57/38/263035738.db2.gz FYKUKDRVMYKHRF-ZDUSSCGKSA-N 1 1 261.344 2.640 20 30 CFEDMO CCn1cc(CC[N@H+](CCC#N)CCC(C)C)cn1 ZINC000276342707 263036278 /nfs/dbraw/zinc/03/62/78/263036278.db2.gz UMRQLRWHAXTJLM-UHFFFAOYSA-N 1 1 262.401 2.707 20 30 CFEDMO CCn1cc(CC[N@@H+](CCC#N)CCC(C)C)cn1 ZINC000276342707 263036279 /nfs/dbraw/zinc/03/62/79/263036279.db2.gz UMRQLRWHAXTJLM-UHFFFAOYSA-N 1 1 262.401 2.707 20 30 CFEDMO CCOc1ccccc1N1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000276332994 263036343 /nfs/dbraw/zinc/03/63/43/263036343.db2.gz RJKRIPFSRZAVBP-OAHLLOKOSA-N 1 1 287.407 2.900 20 30 CFEDMO C[C@H](CCC#N)[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000276334302 263036359 /nfs/dbraw/zinc/03/63/59/263036359.db2.gz RMNWVZDZMAZBFU-IUODEOHRSA-N 1 1 289.354 2.555 20 30 CFEDMO C[C@H](CCC#N)[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000276334302 263036360 /nfs/dbraw/zinc/03/63/60/263036360.db2.gz RMNWVZDZMAZBFU-IUODEOHRSA-N 1 1 289.354 2.555 20 30 CFEDMO COc1cc(C)[nH+]c(CN2CCCC(C)(C)[C@H]2C#N)c1 ZINC000277688959 263042933 /nfs/dbraw/zinc/04/29/33/263042933.db2.gz GYPGQXZKRQIDIH-OAHLLOKOSA-N 1 1 273.380 2.913 20 30 CFEDMO Cn1cc([C@@H]2C[N@H+](CCCCC(C)(C)C#N)CCO2)cn1 ZINC000277820640 263043535 /nfs/dbraw/zinc/04/35/35/263043535.db2.gz VQZFGMIJIDYZNU-HNNXBMFYSA-N 1 1 290.411 2.513 20 30 CFEDMO Cn1cc([C@@H]2C[N@@H+](CCCCC(C)(C)C#N)CCO2)cn1 ZINC000277820640 263043536 /nfs/dbraw/zinc/04/35/36/263043536.db2.gz VQZFGMIJIDYZNU-HNNXBMFYSA-N 1 1 290.411 2.513 20 30 CFEDMO Cc1ccccc1OCC[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000278672355 263049737 /nfs/dbraw/zinc/04/97/37/263049737.db2.gz RBPWDSDRQVGPCS-HUUCEWRRSA-N 1 1 258.365 2.998 20 30 CFEDMO Cc1ccccc1CN1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000278773734 263050917 /nfs/dbraw/zinc/05/09/17/263050917.db2.gz YYHSVINTPUCRNK-AEFFLSMTSA-N 1 1 283.419 2.805 20 30 CFEDMO C=CCc1cc(C[NH2+][C@H](CN)CCCC)cc(OC)c1O ZINC000414819092 263054896 /nfs/dbraw/zinc/05/48/96/263054896.db2.gz XUEOPJZOAFUZMY-HNNXBMFYSA-N 1 1 292.423 2.736 20 30 CFEDMO C=CCc1cc(C[NH2+][C@@H](CN)CCCC)cc(OC)c1O ZINC000414819094 263054901 /nfs/dbraw/zinc/05/49/01/263054901.db2.gz XUEOPJZOAFUZMY-OAHLLOKOSA-N 1 1 292.423 2.736 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)CCCC(C)(C)C#N)n1 ZINC000279656133 263056637 /nfs/dbraw/zinc/05/66/37/263056637.db2.gz CDOGXMVTVQHPGX-UHFFFAOYSA-N 1 1 272.396 2.668 20 30 CFEDMO CCCc1[nH+]ccn1CCCC1(C#N)CCOCC1 ZINC000281064559 263066387 /nfs/dbraw/zinc/06/63/87/263066387.db2.gz UPXRPIJWIMGZNR-UHFFFAOYSA-N 1 1 261.369 2.936 20 30 CFEDMO C[N@@H+](CCCOCc1ccccc1)C[C@H](C#N)CCC#N ZINC000281438986 263069077 /nfs/dbraw/zinc/06/90/77/263069077.db2.gz PUGOEHUTULNLHE-KRWDZBQOSA-N 1 1 285.391 2.969 20 30 CFEDMO C[N@@H+](CCNC(=O)c1ccc(CC#N)cc1)C1CCCCC1 ZINC000340098021 263069652 /nfs/dbraw/zinc/06/96/52/263069652.db2.gz VMRLPZNNUKYBFY-UHFFFAOYSA-N 1 1 299.418 2.747 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000282856832 263079133 /nfs/dbraw/zinc/07/91/33/263079133.db2.gz UEEHFKBKYCGZLJ-GFCCVEGCSA-N 1 1 274.393 2.930 20 30 CFEDMO C[C@@H](CC#N)[N@H+](C)CCC(=O)N1CCCc2ccccc21 ZINC000284959453 263088649 /nfs/dbraw/zinc/08/86/49/263088649.db2.gz JNLAJONHDRZMFL-AWEZNQCLSA-N 1 1 285.391 2.590 20 30 CFEDMO C[C@@H](CC#N)[N@@H+](C)CCC(=O)N1CCCc2ccccc21 ZINC000284959453 263088650 /nfs/dbraw/zinc/08/86/50/263088650.db2.gz JNLAJONHDRZMFL-AWEZNQCLSA-N 1 1 285.391 2.590 20 30 CFEDMO C[C@H](CC#N)[N@H+](C)CCC(=O)N1CCCc2ccccc21 ZINC000284959454 263088771 /nfs/dbraw/zinc/08/87/71/263088771.db2.gz JNLAJONHDRZMFL-CQSZACIVSA-N 1 1 285.391 2.590 20 30 CFEDMO C[C@H](CC#N)[N@@H+](C)CCC(=O)N1CCCc2ccccc21 ZINC000284959454 263088772 /nfs/dbraw/zinc/08/87/72/263088772.db2.gz 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CCC[N@@H+](Cc1ccc(C#N)c(OC)c1)CC(C)(C)O ZINC000282338949 276001343 /nfs/dbraw/zinc/00/13/43/276001343.db2.gz OTEVZYVIEZFGCP-UHFFFAOYSA-N 1 1 276.380 2.550 20 30 CFEDMO CCO[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@@H]1C ZINC000451525963 276359254 /nfs/dbraw/zinc/35/92/54/276359254.db2.gz MXMRFZBIPIYOMU-LRDDRELGSA-N 1 1 276.355 2.944 20 30 CFEDMO C[N@H+]1CC[C@@H]2CCN(c3c(C#N)cnc4ccccc43)C[C@@H]21 ZINC000378459881 277146556 /nfs/dbraw/zinc/14/65/56/277146556.db2.gz UOSMZKOJTJHZBV-DYVFJYSZSA-N 1 1 292.386 2.637 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000354699976 277295500 /nfs/dbraw/zinc/29/55/00/277295500.db2.gz GUXSQPCTOJCFEE-HOCLYGCPSA-N 1 1 262.397 2.960 20 30 CFEDMO CC(C)C[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442846241 277387917 /nfs/dbraw/zinc/38/79/17/277387917.db2.gz JFPFZSJFFWJXCT-OWCLPIDISA-N 1 1 263.429 2.779 20 30 CFEDMO CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CC[C@@H](C#N)C1 ZINC000442846241 277387918 /nfs/dbraw/zinc/38/79/18/277387918.db2.gz JFPFZSJFFWJXCT-OWCLPIDISA-N 1 1 263.429 2.779 20 30 CFEDMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000329644026 278182280 /nfs/dbraw/zinc/18/22/80/278182280.db2.gz IZPMAFGQYSKBPM-IAODNVIUSA-N 1 1 294.439 2.613 20 30 CFEDMO C[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)[N@H+](C)C1CC1 ZINC000353381138 278285557 /nfs/dbraw/zinc/28/55/57/278285557.db2.gz DKYGANXQDVSFOX-YVEFUNNKSA-N 1 1 269.392 2.618 20 30 CFEDMO C[C@@H](CN[C@@H]1CCc2ccc(C#N)cc21)[N@@H+](C)C1CC1 ZINC000353381138 278285560 /nfs/dbraw/zinc/28/55/60/278285560.db2.gz DKYGANXQDVSFOX-YVEFUNNKSA-N 1 1 269.392 2.618 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(F)(C#N)CC1 ZINC000352483325 278305571 /nfs/dbraw/zinc/30/55/71/278305571.db2.gz IPDBQLOJNQYWIC-GFCCVEGCSA-N 1 1 257.312 2.947 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000334607480 278309966 /nfs/dbraw/zinc/30/99/66/278309966.db2.gz XCSCLNJPVPEPEG-WBMJQRKESA-N 1 1 256.349 2.730 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CCO[C@H](C2CC2)C1 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/nfs/dbraw/zinc/29/52/64/290295264.db2.gz MBFULCYZPQJZDV-GFCCVEGCSA-N 1 1 290.367 2.999 20 30 CFEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000565606378 290313269 /nfs/dbraw/zinc/31/32/69/290313269.db2.gz BQPBMKJHXARMLH-ZDUSSCGKSA-N 1 1 281.359 2.722 20 30 CFEDMO CC1(C)CCC[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC1 ZINC000565657915 290315858 /nfs/dbraw/zinc/31/58/58/290315858.db2.gz FLQXXVLQDTZBPJ-UHFFFAOYSA-N 1 1 283.379 2.613 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CCCC1 ZINC001085453282 782056120 /nfs/dbraw/zinc/05/61/20/782056120.db2.gz JDPHAPLBAIYOHO-OAHLLOKOSA-N 1 1 264.413 2.676 20 30 CFEDMO Cc1nc(N(C)[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)cc1C#N ZINC000360070344 293290438 /nfs/dbraw/zinc/29/04/38/293290438.db2.gz HHNAPGWWUFCVOE-CYBMUJFWSA-N 1 1 290.798 2.588 20 30 CFEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2NC1CC[NH2+]CC1 ZINC000335452305 303201449 /nfs/dbraw/zinc/20/14/49/303201449.db2.gz NRZCQBTUHLWRGI-KRWDZBQOSA-N 1 1 269.392 2.667 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cnc(C)s1 ZINC001085511147 782084131 /nfs/dbraw/zinc/08/41/31/782084131.db2.gz LYYNCJYUKQKSOL-ZDUSSCGKSA-N 1 1 293.436 2.564 20 30 CFEDMO COc1ccc(C[NH2+]C[C@H](C#N)CCC#N)c(C)c1 ZINC000580299244 327772157 /nfs/dbraw/zinc/77/21/57/327772157.db2.gz PTOXXKPMWCFAII-ZDUSSCGKSA-N 1 1 257.337 2.537 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)[C@H](C)c1nccc(N)n1 ZINC000563353691 328057563 /nfs/dbraw/zinc/05/75/63/328057563.db2.gz FKOWEZDVXPHGKZ-CQSZACIVSA-N 1 1 282.391 2.681 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)c1nccc(N)n1 ZINC000563353691 328057565 /nfs/dbraw/zinc/05/75/65/328057565.db2.gz FKOWEZDVXPHGKZ-CQSZACIVSA-N 1 1 282.391 2.681 20 30 CFEDMO C[C@@H](c1ccccc1F)[N@@H+](C)CCOCCC#N ZINC000293395880 328095859 /nfs/dbraw/zinc/09/58/59/328095859.db2.gz HDKPHOPXIDIFEF-LBPRGKRZSA-N 1 1 250.317 2.749 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCCCCC#N ZINC000171740581 329079655 /nfs/dbraw/zinc/07/96/55/329079655.db2.gz VASLGIOYDOEAJJ-HNNXBMFYSA-N 1 1 294.443 2.634 20 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WACPRLDEXUIBRO-AWEZNQCLSA-N 1 1 299.418 2.540 20 30 CFEDMO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)c1C ZINC000278532910 328226355 /nfs/dbraw/zinc/22/63/55/328226355.db2.gz FIJKHXAYQNSDEQ-HUUCEWRRSA-N 1 1 285.391 2.866 20 30 CFEDMO Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)c1C ZINC000278532910 328226357 /nfs/dbraw/zinc/22/63/57/328226357.db2.gz FIJKHXAYQNSDEQ-HUUCEWRRSA-N 1 1 285.391 2.866 20 30 CFEDMO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nc(-c3ccccc3)no2)C1 ZINC000278510829 328225931 /nfs/dbraw/zinc/22/59/31/328225931.db2.gz PVNSUCKRPGOSFE-TZMCWYRMSA-N 1 1 282.347 2.909 20 30 CFEDMO C[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C#N)C1 ZINC000278616679 328228446 /nfs/dbraw/zinc/22/84/46/328228446.db2.gz NAVNLXXZEHBVOG-AAEUAGOBSA-N 1 1 259.309 2.719 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@H+](CC)C[C@H](C)CC ZINC000177855008 329193035 /nfs/dbraw/zinc/19/30/35/329193035.db2.gz VELGZNQSJOFJDB-CQSZACIVSA-N 1 1 254.418 2.779 20 30 CFEDMO CN(C(=O)c1ccc(C(C)(C)C#N)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000280204884 328234859 /nfs/dbraw/zinc/23/48/59/328234859.db2.gz QTZVNYCAEGMENR-MRXNPFEDSA-N 1 1 299.418 2.654 20 30 CFEDMO C[C@H]([NH2+]CCC(C)(C)C#N)c1c(F)cncc1F ZINC000285513849 328248154 /nfs/dbraw/zinc/24/81/54/328248154.db2.gz DNHIPJJSWFYDFI-VIFPVBQESA-N 1 1 253.296 2.950 20 30 CFEDMO CC[C@H]1CN(C(=O)CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000291936512 328267640 /nfs/dbraw/zinc/26/76/40/328267640.db2.gz OYBDVLIJOQLSHW-KRWDZBQOSA-N 1 1 299.418 2.803 20 30 CFEDMO C[N@@H+](C[C@@H]1OCCc2ccccc21)[C@@H]1CC[C@@H](C#N)C1 ZINC000293269429 328274963 /nfs/dbraw/zinc/27/49/63/328274963.db2.gz XXMYEOWJTOXJKT-UNEWFSDZSA-N 1 1 270.376 2.924 20 30 CFEDMO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)ccc1O ZINC000170915729 322395798 /nfs/dbraw/zinc/39/57/98/322395798.db2.gz FGLLYLYCYHLSIR-UHFFFAOYSA-N 1 1 282.343 2.904 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)CCC1CCCCC1 ZINC000101565984 328356857 /nfs/dbraw/zinc/35/68/57/328356857.db2.gz OKIXVTZOXVMVDT-QGZVFWFLSA-N 1 1 293.455 2.943 20 30 CFEDMO 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C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000581020670 325084198 /nfs/dbraw/zinc/08/41/98/325084198.db2.gz ZSOZYEKRYXYBAS-CXAGYDPISA-N 1 1 278.359 2.931 20 30 CFEDMO C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(C#N)cn2)C1 ZINC000581020670 325084200 /nfs/dbraw/zinc/08/42/00/325084200.db2.gz ZSOZYEKRYXYBAS-CXAGYDPISA-N 1 1 278.359 2.931 20 30 CFEDMO N#Cc1cccc(C[NH2+][C@H](CN)C2CCCCC2)c1 ZINC000582125615 325178942 /nfs/dbraw/zinc/17/89/42/325178942.db2.gz YTPXZTURMRXNCO-MRXNPFEDSA-N 1 1 257.381 2.555 20 30 CFEDMO Cc1nc(N2CCC[N@H+](C(C)(C)C)CC2)ccc1C#N ZINC000582276867 325191439 /nfs/dbraw/zinc/19/14/39/325191439.db2.gz DZAPYQVWOSCPPU-UHFFFAOYSA-N 1 1 272.396 2.572 20 30 CFEDMO C[C@]12C[N@@H+](Cc3ccc(C#N)cn3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000582674312 325225268 /nfs/dbraw/zinc/22/52/68/325225268.db2.gz JNBKHLBWQULWAE-YQFWSFKMSA-N 1 1 267.376 2.821 20 30 CFEDMO C[C@H](O)[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccccc1F ZINC000583029351 325254216 /nfs/dbraw/zinc/25/42/16/325254216.db2.gz 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CFEDMO C#C[C@@H]([NH2+]Cc1nccn1Cc1ccccc1)C(C)C ZINC000491404929 332205675 /nfs/dbraw/zinc/20/56/75/332205675.db2.gz FNTTWVTZWZZTJI-MRXNPFEDSA-N 1 1 267.376 2.679 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cccc2nccn21)c1ccc(F)cc1 ZINC000491419072 332208273 /nfs/dbraw/zinc/20/82/73/332208273.db2.gz TVRZPTKEFCBJNH-INIZCTEOSA-N 1 1 279.318 2.938 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000491438467 332211127 /nfs/dbraw/zinc/21/11/27/332211127.db2.gz CNUGESREJAANNK-DGCLKSJQSA-N 1 1 285.309 2.562 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000491486469 332220913 /nfs/dbraw/zinc/22/09/13/332220913.db2.gz WJQQIEFNFHYMRO-VIFPVBQESA-N 1 1 252.701 2.702 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000491486469 332220915 /nfs/dbraw/zinc/22/09/15/332220915.db2.gz WJQQIEFNFHYMRO-VIFPVBQESA-N 1 1 252.701 2.702 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC000491556306 332237773 /nfs/dbraw/zinc/23/77/73/332237773.db2.gz WWMCVOFAIIOARY-UONOGXRCSA-N 1 1 290.382 2.689 20 30 CFEDMO C#C[C@H](C)[N@H+](C)CC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC000491556306 332237775 /nfs/dbraw/zinc/23/77/75/332237775.db2.gz WWMCVOFAIIOARY-UONOGXRCSA-N 1 1 290.382 2.689 20 30 CFEDMO C=CCCC[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000172180179 335096775 /nfs/dbraw/zinc/09/67/75/335096775.db2.gz JHQFABSUGAJPHT-GFCCVEGCSA-N 1 1 256.390 2.798 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491640441 332260348 /nfs/dbraw/zinc/26/03/48/332260348.db2.gz YHWYFZONGGTQQD-CQSZACIVSA-N 1 1 294.439 2.977 20 30 CFEDMO C#CC[N@H+](Cc1cc(OC)c(OC)cc1C)C1CC1 ZINC000491651117 332264655 /nfs/dbraw/zinc/26/46/55/332264655.db2.gz DIAZIYMBERNDEV-UHFFFAOYSA-N 1 1 259.349 2.610 20 30 CFEDMO C#C[C@H](CC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000491661142 332271045 /nfs/dbraw/zinc/27/10/45/332271045.db2.gz DEPFEDKCICXDNK-SNVBAGLBSA-N 1 1 284.262 2.698 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)Nc1ccccc1C(C)C ZINC000491665837 332274423 /nfs/dbraw/zinc/27/44/23/332274423.db2.gz VFRIRAQANDUDME-UHFFFAOYSA-N 1 1 287.407 2.887 20 30 CFEDMO C#CC[N@H+](CCC1(O)CC1)[C@H]1CCc2ccccc21 ZINC000491669120 332276672 /nfs/dbraw/zinc/27/66/72/332276672.db2.gz ZMENQFMPVGUVMQ-INIZCTEOSA-N 1 1 255.361 2.524 20 30 CFEDMO C#CC[N@@H+](CCCc1nc(-c2cccs2)no1)C1CC1 ZINC000491709418 332301765 /nfs/dbraw/zinc/30/17/65/332301765.db2.gz OVRUAPDAWWGEMG-UHFFFAOYSA-N 1 1 287.388 2.828 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491715364 332305480 /nfs/dbraw/zinc/30/54/80/332305480.db2.gz PLAMYWOKZWMNIQ-HUUCEWRRSA-N 1 1 292.423 2.731 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000491715362 332305551 /nfs/dbraw/zinc/30/55/51/332305551.db2.gz PLAMYWOKZWMNIQ-GJZGRUSLSA-N 1 1 292.423 2.731 20 30 CFEDMO C[N@@H+](CCC1(C#N)CCCCC1)C1CCOCC1 ZINC000580526067 335101076 /nfs/dbraw/zinc/10/10/76/335101076.db2.gz OADPHRPJCBKIBL-UHFFFAOYSA-N 1 1 250.386 2.961 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000491759257 332330899 /nfs/dbraw/zinc/33/08/99/332330899.db2.gz LWPVWYPALLHQCX-AWEZNQCLSA-N 1 1 272.392 2.550 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000491759257 332330900 /nfs/dbraw/zinc/33/09/00/332330900.db2.gz LWPVWYPALLHQCX-AWEZNQCLSA-N 1 1 272.392 2.550 20 30 CFEDMO C#CC[N@@H+](CC)Cc1cnc(-c2ccncc2)s1 ZINC000491773177 332339355 /nfs/dbraw/zinc/33/93/55/332339355.db2.gz AOOCTVVIVFTEBN-UHFFFAOYSA-N 1 1 257.362 2.660 20 30 CFEDMO C#CC[N@H+](CC)Cc1cnc(-c2ccncc2)s1 ZINC000491773177 332339356 /nfs/dbraw/zinc/33/93/56/332339356.db2.gz AOOCTVVIVFTEBN-UHFFFAOYSA-N 1 1 257.362 2.660 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1ccc(OC(F)F)c(OC)c1 ZINC000491780465 332344798 /nfs/dbraw/zinc/34/47/98/332344798.db2.gz ISLSTXGUJMOFJP-JTQLQIEISA-N 1 1 269.291 2.750 20 30 CFEDMO C=C(C)C[N@@H+](CC)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000492435960 332397354 /nfs/dbraw/zinc/39/73/54/332397354.db2.gz NLGJXOCFBFIFOK-GFCCVEGCSA-N 1 1 256.390 2.798 20 30 CFEDMO C=C[C@@H](CO)[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000336685650 335112738 /nfs/dbraw/zinc/11/27/38/335112738.db2.gz SDBSNGOPDDBXNZ-QMMMGPOBSA-N 1 1 264.127 2.769 20 30 CFEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cccc(N2CCOC2=O)c1 ZINC000495970761 332535051 /nfs/dbraw/zinc/53/50/51/332535051.db2.gz QJQBOFCNBDWYHB-ZDUSSCGKSA-N 1 1 299.374 2.988 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336711988 335114273 /nfs/dbraw/zinc/11/42/73/335114273.db2.gz LQBFEKVVDOMVFU-WMZOPIPTSA-N 1 1 299.418 2.565 20 30 CFEDMO C[N@H+](CCCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000174839840 333008477 /nfs/dbraw/zinc/00/84/77/333008477.db2.gz OIAYFBVJLLAINW-UHFFFAOYSA-N 1 1 254.374 2.590 20 30 CFEDMO C[N@@H+](CCCC(C)(C)C#N)CC(=O)OC(C)(C)C ZINC000174839840 333008479 /nfs/dbraw/zinc/00/84/79/333008479.db2.gz OIAYFBVJLLAINW-UHFFFAOYSA-N 1 1 254.374 2.590 20 30 CFEDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000174841041 333008556 /nfs/dbraw/zinc/00/85/56/333008556.db2.gz KSOGXBPRWSERDE-HNNXBMFYSA-N 1 1 293.455 2.801 20 30 CFEDMO C=CCNC(=O)C[N@H+](CCC(C)C)C1CCCC1 ZINC000521193643 333114706 /nfs/dbraw/zinc/11/47/06/333114706.db2.gz MDOFNWIRSHWHCC-UHFFFAOYSA-N 1 1 252.402 2.579 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000185710814 333147074 /nfs/dbraw/zinc/14/70/74/333147074.db2.gz YVBJXDHCEGBMGS-GOEBONIOSA-N 1 1 278.440 2.969 20 30 CFEDMO CC(C)CC[N@@H+](CCC#N)C[C@@H](O)CC(F)(F)F ZINC000189499538 333193844 /nfs/dbraw/zinc/19/38/44/333193844.db2.gz NRLVUCLYYGGLCE-NSHDSACASA-N 1 1 266.307 2.561 20 30 CFEDMO CCOCCOCC[N@@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000190284749 333205262 /nfs/dbraw/zinc/20/52/62/333205262.db2.gz AYMYEXSFRIEGAX-UHFFFAOYSA-N 1 1 295.810 2.676 20 30 CFEDMO C#CC[N@@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(F)cc1 ZINC000191279373 333217568 /nfs/dbraw/zinc/21/75/68/333217568.db2.gz NRKSEAIZPAPSNH-UHFFFAOYSA-N 1 1 281.334 2.671 20 30 CFEDMO C#CC[N@H+](Cc1cc(C#N)n(C)c1)Cc1ccc(F)cc1 ZINC000191279373 333217569 /nfs/dbraw/zinc/21/75/69/333217569.db2.gz NRKSEAIZPAPSNH-UHFFFAOYSA-N 1 1 281.334 2.671 20 30 CFEDMO C[N@H+]1CCC[C@H]2C[NH+](CCCC(C)(C)C#N)CC[C@H]21 ZINC000227336102 333280818 /nfs/dbraw/zinc/28/08/18/333280818.db2.gz NAQZFKGWUPJCSV-LSDHHAIUSA-N 1 1 263.429 2.732 20 30 CFEDMO C[N@@H+]1CCC[C@H]2CN(CCCC(C)(C)C#N)CC[C@H]21 ZINC000227336102 333280822 /nfs/dbraw/zinc/28/08/22/333280822.db2.gz NAQZFKGWUPJCSV-LSDHHAIUSA-N 1 1 263.429 2.732 20 30 CFEDMO C[N@H+]1CCC[C@H]2CN(CCCC(C)(C)C#N)CC[C@H]21 ZINC000227336102 333280823 /nfs/dbraw/zinc/28/08/23/333280823.db2.gz NAQZFKGWUPJCSV-LSDHHAIUSA-N 1 1 263.429 2.732 20 30 CFEDMO CC1(C#N)CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000227352445 333281333 /nfs/dbraw/zinc/28/13/33/333281333.db2.gz YAUMOFNMTJKWDZ-UHFFFAOYSA-N 1 1 259.309 2.720 20 30 CFEDMO CC(C)c1noc([C@@H](C)[NH+]2CCC(CC#N)CC2)n1 ZINC000542879913 333847672 /nfs/dbraw/zinc/84/76/72/333847672.db2.gz XZRPHAUEZPDPRQ-LLVKDONJSA-N 1 1 262.357 2.880 20 30 CFEDMO C=CCC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000075005993 334022975 /nfs/dbraw/zinc/02/29/75/334022975.db2.gz WIYNMYHKACKSNZ-LBPRGKRZSA-N 1 1 254.374 2.504 20 30 CFEDMO C[C@@]1(CO)CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000546811106 334051417 /nfs/dbraw/zinc/05/14/17/334051417.db2.gz HDPNLPBCCHZZMA-HNNXBMFYSA-N 1 1 263.768 2.538 20 30 CFEDMO C[C@@]1(CO)CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000546811106 334051418 /nfs/dbraw/zinc/05/14/18/334051418.db2.gz HDPNLPBCCHZZMA-HNNXBMFYSA-N 1 1 263.768 2.538 20 30 CFEDMO C=CCC[N@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000075916903 334059111 /nfs/dbraw/zinc/05/91/11/334059111.db2.gz QSNDTWNSHFHOHX-UHFFFAOYSA-N 1 1 272.348 2.577 20 30 CFEDMO CC(C)[C@H]1C[N@H+](C[C@H](C#N)CCC#N)CCS1 ZINC000076065293 334069669 /nfs/dbraw/zinc/06/96/69/334069669.db2.gz MMBDSOUBPIXOMR-QWHCGFSZSA-N 1 1 251.399 2.503 20 30 CFEDMO CC(C)[C@H]1C[N@@H+](C[C@H](C#N)CCC#N)CCS1 ZINC000076065293 334069670 /nfs/dbraw/zinc/06/96/70/334069670.db2.gz MMBDSOUBPIXOMR-QWHCGFSZSA-N 1 1 251.399 2.503 20 30 CFEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](CCC#N)C1 ZINC000134033907 334078213 /nfs/dbraw/zinc/07/82/13/334078213.db2.gz PSKWOMLJWBPHSX-OLZOCXBDSA-N 1 1 281.400 2.525 20 30 CFEDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCC#N)C1 ZINC000134033907 334078214 /nfs/dbraw/zinc/07/82/14/334078214.db2.gz PSKWOMLJWBPHSX-OLZOCXBDSA-N 1 1 281.400 2.525 20 30 CFEDMO C[N@@H+](CCCc1ccccc1)C[C@H](C#N)CCC#N ZINC000076494299 334082692 /nfs/dbraw/zinc/08/26/92/334082692.db2.gz VOBMQRVLNVHVPY-INIZCTEOSA-N 1 1 255.365 2.995 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000134260695 334085905 /nfs/dbraw/zinc/08/59/05/334085905.db2.gz HEJWLKAWVQPBMB-GOEBONIOSA-N 1 1 286.419 2.803 20 30 CFEDMO C=CCCCN(C)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000077573223 334108893 /nfs/dbraw/zinc/10/88/93/334108893.db2.gz KFLZHMQUCFGLCV-HUUCEWRRSA-N 1 1 281.444 2.714 20 30 CFEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000134992265 334111194 /nfs/dbraw/zinc/11/11/94/334111194.db2.gz FXGICFDPTLFEMY-GOEBONIOSA-N 1 1 266.429 2.825 20 30 CFEDMO CC(C)N1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000135086083 334114998 /nfs/dbraw/zinc/11/49/98/334114998.db2.gz PTNAKBIMTXUFOH-UHFFFAOYSA-N 1 1 251.418 2.779 20 30 CFEDMO CCN1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1 ZINC000135093265 334115147 /nfs/dbraw/zinc/11/51/47/334115147.db2.gz VSRHOGCVBHFDJY-UHFFFAOYSA-N 1 1 271.408 2.625 20 30 CFEDMO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000135357873 334127364 /nfs/dbraw/zinc/12/73/64/334127364.db2.gz BLQDGAVDEUGZSV-KRWDZBQOSA-N 1 1 286.419 2.776 20 30 CFEDMO CC#CC[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000079503336 334156027 /nfs/dbraw/zinc/15/60/27/334156027.db2.gz WQGIDKPANNMDRS-QGZVFWFLSA-N 1 1 257.377 2.733 20 30 CFEDMO N#CCC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000081044929 334177273 /nfs/dbraw/zinc/17/72/73/334177273.db2.gz LNANDJZRFNBDAZ-UHFFFAOYSA-N 1 1 273.336 2.763 20 30 CFEDMO N#CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000081044929 334177274 /nfs/dbraw/zinc/17/72/74/334177274.db2.gz LNANDJZRFNBDAZ-UHFFFAOYSA-N 1 1 273.336 2.763 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@H+]1CCC[C@@H]1C(C)(C)CC ZINC000246328742 334251241 /nfs/dbraw/zinc/25/12/41/334251241.db2.gz SIRSCRSRXQYPBH-HUUCEWRRSA-N 1 1 293.455 2.895 20 30 CFEDMO C#CC[N@H+](C[C@H](O)CC(F)(F)F)[C@H]1CCc2ccccc21 ZINC000249497075 334334724 /nfs/dbraw/zinc/33/47/24/334334724.db2.gz WHSLZOURXPYFHX-HIFRSBDPSA-N 1 1 297.320 2.922 20 30 CFEDMO C=CC[NH+](CC=C)[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000552545205 334334733 /nfs/dbraw/zinc/33/47/33/334334733.db2.gz NAEOVRGSQYSJFZ-JKSUJKDBSA-N 1 1 286.419 2.969 20 30 CFEDMO C=CCC(C)(C)C(=O)N[C@H](C)C[N@H+](C)CCCC ZINC000552746414 334343867 /nfs/dbraw/zinc/34/38/67/334343867.db2.gz HAYJANVNTAAIHE-CYBMUJFWSA-N 1 1 254.418 2.825 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccccc1)C[C@](C)(O)CC ZINC000251858949 334371013 /nfs/dbraw/zinc/37/10/13/334371013.db2.gz OAEIKXDLVIFYAR-ZWKOTPCHSA-N 1 1 291.435 2.977 20 30 CFEDMO CCC[C@H](C#N)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000566425163 334647798 /nfs/dbraw/zinc/64/77/98/334647798.db2.gz WGZYPOBJGPSULT-KGLIPLIRSA-N 1 1 293.798 2.751 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000568181405 334801485 /nfs/dbraw/zinc/80/14/85/334801485.db2.gz RVAVQPHBZANUGR-SLTAFYQDSA-N 1 1 291.439 2.838 20 30 CFEDMO CC(C)(C)OC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000164920559 334890475 /nfs/dbraw/zinc/89/04/75/334890475.db2.gz BGUWLHHFWRCJIM-ZDUSSCGKSA-N 1 1 263.385 2.709 20 30 CFEDMO N#C[C@@H]1CC[C@H]([NH2+]Cc2nnc(-c3ccccc3)s2)C1 ZINC000576423846 335201989 /nfs/dbraw/zinc/20/19/89/335201989.db2.gz JVNGMGGGYYDBDK-YPMHNXCESA-N 1 1 284.388 2.987 20 30 CFEDMO C=CCCCC[N@@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000576700162 335236453 /nfs/dbraw/zinc/23/64/53/335236453.db2.gz WEZKJGVHFZWGBE-LBPRGKRZSA-N 1 1 267.373 2.955 20 30 CFEDMO C=CCCCC[N@H+](C)Cc1nc([C@H](C)OCC)no1 ZINC000576700162 335236455 /nfs/dbraw/zinc/23/64/55/335236455.db2.gz WEZKJGVHFZWGBE-LBPRGKRZSA-N 1 1 267.373 2.955 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000192624261 335287632 /nfs/dbraw/zinc/28/76/32/335287632.db2.gz MEMJXYFZIPAOSW-LSDHHAIUSA-N 1 1 264.413 2.698 20 30 CFEDMO C=CCCCC[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000577054266 335291748 /nfs/dbraw/zinc/29/17/48/335291748.db2.gz QFPQJPJZEJFBBV-LBPRGKRZSA-N 1 1 264.335 2.911 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000577122805 335304081 /nfs/dbraw/zinc/30/40/81/335304081.db2.gz XWXQTVRFKKFUGN-HUUCEWRRSA-N 1 1 260.381 2.506 20 30 CFEDMO C[C@H](O)[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000577349052 335341044 /nfs/dbraw/zinc/34/10/44/335341044.db2.gz NNSPEVDOPGNUMY-GJZGRUSLSA-N 1 1 264.413 2.943 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(-c2ccccn2)nc1 ZINC000577646048 335385190 /nfs/dbraw/zinc/38/51/90/335385190.db2.gz CZYPVAWHMAXSBY-CQSZACIVSA-N 1 1 266.348 2.925 20 30 CFEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CCCC[C@H]1O ZINC000577756967 335397899 /nfs/dbraw/zinc/39/78/99/335397899.db2.gz 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ZINC000893320607 618337017 /nfs/dbraw/zinc/33/70/17/618337017.db2.gz QJFMLZLLVVGZMT-IBGZPJMESA-N 1 1 278.399 2.931 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC1(F)F ZINC001024501938 618337062 /nfs/dbraw/zinc/33/70/62/618337062.db2.gz IRKMSOILUOPGSD-QWHCGFSZSA-N 1 1 286.366 2.579 20 30 CFEDMO C=CC(C)(C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000894106472 618340607 /nfs/dbraw/zinc/34/06/07/618340607.db2.gz OTXVJJZZBOBSEB-UONOGXRCSA-N 1 1 293.455 2.903 20 30 CFEDMO Cc1c[nH+]cn1CC(=O)OCCCCC1(C#N)CCC1 ZINC000909451282 618348194 /nfs/dbraw/zinc/34/81/94/618348194.db2.gz IKQCDEUWDRJUGK-UHFFFAOYSA-N 1 1 275.352 2.599 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CCC ZINC001024545063 618359321 /nfs/dbraw/zinc/35/93/21/618359321.db2.gz CYSLVLCFTARNKA-KRWDZBQOSA-N 1 1 298.430 2.857 20 30 CFEDMO C[N@H+](Cc1csc(C#N)c1)C[C@@H](O)c1cccc(C#N)c1 ZINC000895141316 618374226 /nfs/dbraw/zinc/37/42/26/618374226.db2.gz JQWRMXBTVNXAMB-MRXNPFEDSA-N 1 1 297.383 2.657 20 30 CFEDMO CCCC[N@@H+](C)CCNc1cc(C#N)sc1[N+](=O)[O-] ZINC000892492026 618380318 /nfs/dbraw/zinc/38/03/18/618380318.db2.gz JMYFMHIQBMIGKR-UHFFFAOYSA-N 1 1 282.369 2.672 20 30 CFEDMO CCN(CC)CCNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000104152136 618387236 /nfs/dbraw/zinc/38/72/36/618387236.db2.gz HUKMDKCQGPOBQX-UHFFFAOYSA-N 1 1 292.427 2.542 20 30 CFEDMO C=C(C)C[N@H+](Cc1cnc2n1CCOC2)Cc1ccccc1 ZINC000894139282 618387528 /nfs/dbraw/zinc/38/75/28/618387528.db2.gz KXIPOTYPPNCTEG-UHFFFAOYSA-N 1 1 297.402 2.992 20 30 CFEDMO C=C(C)C[N@@H+](Cc1cnc2n1CCOC2)Cc1ccccc1 ZINC000894139282 618387533 /nfs/dbraw/zinc/38/75/33/618387533.db2.gz KXIPOTYPPNCTEG-UHFFFAOYSA-N 1 1 297.402 2.992 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1nccc2occc21 ZINC001024573244 618387629 /nfs/dbraw/zinc/38/76/29/618387629.db2.gz YMUBPWPBFCJFBO-CYBMUJFWSA-N 1 1 299.374 2.598 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1occ2c1CCC2 ZINC001024574984 618390083 /nfs/dbraw/zinc/39/00/83/618390083.db2.gz GMLYBIWEBIGUNH-CQSZACIVSA-N 1 1 288.391 2.539 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCCCC[C@@H]2CO)cc1 ZINC000895151956 618398439 /nfs/dbraw/zinc/39/84/39/618398439.db2.gz PFKQUVNXDKZUKY-GOEBONIOSA-N 1 1 288.391 2.714 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(OC)cs1 ZINC001024593558 618403434 /nfs/dbraw/zinc/40/34/34/618403434.db2.gz PSORSAJJZMIGJC-LBPRGKRZSA-N 1 1 294.420 2.527 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(OC)cs1 ZINC001024593558 618403438 /nfs/dbraw/zinc/40/34/38/618403438.db2.gz PSORSAJJZMIGJC-LBPRGKRZSA-N 1 1 294.420 2.527 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001024616724 618420293 /nfs/dbraw/zinc/42/02/93/618420293.db2.gz XVURJVMIRKLHMT-LTIDMASMSA-N 1 1 290.451 2.969 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccoc1C1CC1 ZINC001024619945 618423837 /nfs/dbraw/zinc/42/38/37/618423837.db2.gz JDIUNFJHTNYWGF-CQSZACIVSA-N 1 1 288.391 2.927 20 30 CFEDMO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2CCF)CC1 ZINC001024633289 618426420 /nfs/dbraw/zinc/42/64/20/618426420.db2.gz HRZPCXFDAFFWKZ-HNNXBMFYSA-N 1 1 282.403 2.673 20 30 CFEDMO C=C1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CCF)CC1 ZINC001024633289 618426423 /nfs/dbraw/zinc/42/64/23/618426423.db2.gz HRZPCXFDAFFWKZ-HNNXBMFYSA-N 1 1 282.403 2.673 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001024634749 618427964 /nfs/dbraw/zinc/42/79/64/618427964.db2.gz XMVYJMWLDMRDSX-INIZCTEOSA-N 1 1 276.424 2.890 20 30 CFEDMO CCc1[nH+]c(C=NOCCSC)c2ccccn12 ZINC000794572281 618429531 /nfs/dbraw/zinc/42/95/31/618429531.db2.gz NQQFPKZOGMIUDA-UHFFFAOYSA-N 1 1 263.366 2.610 20 30 CFEDMO CC#CC[NH2+]Cc1cc(-c2ccccc2OCC)no1 ZINC000901396642 620805221 /nfs/dbraw/zinc/80/52/21/620805221.db2.gz VECKFKPAYMXMGB-UHFFFAOYSA-N 1 1 270.332 2.853 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H](Nc2ccc(C(F)(F)F)nc2)C1 ZINC000895203268 618467319 /nfs/dbraw/zinc/46/73/19/618467319.db2.gz WBGUVVBJPBVYIX-LBPRGKRZSA-N 1 1 283.297 2.610 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001024777984 618468510 /nfs/dbraw/zinc/46/85/10/618468510.db2.gz SDHJJFFIDXYXCT-QGZVFWFLSA-N 1 1 298.430 2.911 20 30 CFEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC001024789031 618471310 /nfs/dbraw/zinc/47/13/10/618471310.db2.gz QZSGMQOJTAXXPN-OAHLLOKOSA-N 1 1 296.370 2.650 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc2ccccc2o1 ZINC001024789031 618471311 /nfs/dbraw/zinc/47/13/11/618471311.db2.gz QZSGMQOJTAXXPN-OAHLLOKOSA-N 1 1 296.370 2.650 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1C ZINC001024788924 618471721 /nfs/dbraw/zinc/47/17/21/618471721.db2.gz PHABXLGIRMHTOV-MRXNPFEDSA-N 1 1 284.403 2.521 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001024806994 618475670 /nfs/dbraw/zinc/47/56/70/618475670.db2.gz OQQIFMQSHOXBOA-ZDUSSCGKSA-N 1 1 293.436 2.530 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1nc(C)c(C)s1 ZINC001024806994 618475676 /nfs/dbraw/zinc/47/56/76/618475676.db2.gz OQQIFMQSHOXBOA-ZDUSSCGKSA-N 1 1 293.436 2.530 20 30 CFEDMO C(#Cc1ccccc1)CN[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000895225013 618485162 /nfs/dbraw/zinc/48/51/62/618485162.db2.gz BMZNYIPAXRSZTK-ZWKOTPCHSA-N 1 1 268.404 2.645 20 30 CFEDMO C(#Cc1ccccc1)CN[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000895225013 618485166 /nfs/dbraw/zinc/48/51/66/618485166.db2.gz BMZNYIPAXRSZTK-ZWKOTPCHSA-N 1 1 268.404 2.645 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](Cc2cccc3c2OCC3)C1 ZINC000895314153 618528448 /nfs/dbraw/zinc/52/84/48/618528448.db2.gz RFRUYGOXLBJVLM-ZDUSSCGKSA-N 1 1 256.349 2.747 20 30 CFEDMO C[C@@]1(C#N)CC[N@H+](Cc2cccc3c2NCCC3)C1 ZINC000895333569 618536411 /nfs/dbraw/zinc/53/64/11/618536411.db2.gz BAUWIFZAALCWMC-INIZCTEOSA-N 1 1 255.365 2.780 20 30 CFEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cccc3c2NCCC3)C1 ZINC000895333569 618536414 /nfs/dbraw/zinc/53/64/14/618536414.db2.gz BAUWIFZAALCWMC-INIZCTEOSA-N 1 1 255.365 2.780 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2F)C1 ZINC000895388952 618563359 /nfs/dbraw/zinc/56/33/59/618563359.db2.gz CPVNYKLLYJBTCU-GFCCVEGCSA-N 1 1 277.339 2.688 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2OC)C1 ZINC000895391353 618563885 /nfs/dbraw/zinc/56/38/85/618563885.db2.gz XVWNWEUJKIDNMK-AWEZNQCLSA-N 1 1 273.376 2.857 20 30 CFEDMO CC(C)CCC(N)=[NH+]OCc1nnc(-c2ccccc2)o1 ZINC000066374457 618609786 /nfs/dbraw/zinc/60/97/86/618609786.db2.gz OUWUJHPCQMQOAD-UHFFFAOYSA-N 1 1 288.351 2.962 20 30 CFEDMO CC(C)C[C@H](C[NH2+]CC#Cc1ccccc1)N(C)C ZINC000892534570 618615381 /nfs/dbraw/zinc/61/53/81/618615381.db2.gz OVDLWVMZAGDSJR-QGZVFWFLSA-N 1 1 258.409 2.604 20 30 CFEDMO Cc1cc(C#N)nc(N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000892620524 618658089 /nfs/dbraw/zinc/65/80/89/618658089.db2.gz BGPIBMLGYRLRBJ-UHFFFAOYSA-N 1 1 284.407 2.716 20 30 CFEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[C@H](C)C1 ZINC001017820335 618672568 /nfs/dbraw/zinc/67/25/68/618672568.db2.gz AOIKKVFNIMUIPR-LUKYLMHMSA-N 1 1 288.435 2.511 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001007389705 618675689 /nfs/dbraw/zinc/67/56/89/618675689.db2.gz BEAKABNDJVQPIV-IRXDYDNUSA-N 1 1 288.435 2.727 20 30 CFEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC(C)=C(C)C2)C1 ZINC001007389705 618675691 /nfs/dbraw/zinc/67/56/91/618675691.db2.gz BEAKABNDJVQPIV-IRXDYDNUSA-N 1 1 288.435 2.727 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001007469074 618686038 /nfs/dbraw/zinc/68/60/38/618686038.db2.gz NDRUCRAJLCWDKU-STQMWFEESA-N 1 1 286.366 2.579 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000892668545 618687187 /nfs/dbraw/zinc/68/71/87/618687187.db2.gz JTMLFPYHYMWNIG-OAHLLOKOSA-N 1 1 299.418 2.779 20 30 CFEDMO C#CCCc1noc([C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000923882936 618718724 /nfs/dbraw/zinc/71/87/24/618718724.db2.gz MEDZXGUZPHAEDJ-ZBFHGGJFSA-N 1 1 295.386 2.871 20 30 CFEDMO C[C@H]1C[C@@H](Nc2cc(C#N)sc2[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000892876008 618762025 /nfs/dbraw/zinc/76/20/25/618762025.db2.gz MQUDSOKWUYPYHJ-DTWKUNHWSA-N 1 1 292.364 2.565 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cc(C(C)C)on2)C1 ZINC001008075507 618912525 /nfs/dbraw/zinc/91/25/25/618912525.db2.gz FMOGDNGBZQSBBD-ZDUSSCGKSA-N 1 1 291.395 2.568 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2ccc(C)o2)C1 ZINC001008791776 618970327 /nfs/dbraw/zinc/97/03/27/618970327.db2.gz QXVDZNWJUYBKFP-LSDHHAIUSA-N 1 1 290.407 2.848 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001009274149 618986658 /nfs/dbraw/zinc/98/66/58/618986658.db2.gz NBXQBOMJBKWIBS-JYJNAYRXSA-N 1 1 278.440 2.969 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(C)cc2)C1 ZINC001009310694 618989084 /nfs/dbraw/zinc/98/90/84/618989084.db2.gz FVVUZMVEYDSLJC-MRXNPFEDSA-N 1 1 272.392 2.765 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001006714328 619002426 /nfs/dbraw/zinc/00/24/26/619002426.db2.gz ICHDJMQOABNCOG-HOTGVXAUSA-N 1 1 276.424 2.890 20 30 CFEDMO CC[C@@]1(O)CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000931476678 619002693 /nfs/dbraw/zinc/00/26/93/619002693.db2.gz QPSXDCIURWWEGN-YMAMQOFZSA-N 1 1 250.386 2.553 20 30 CFEDMO CCC(N=NC1=[NH+]CCN1)C12CC3CC(CC(C3)C1)C2 ZINC000841658590 619031879 /nfs/dbraw/zinc/03/18/79/619031879.db2.gz BLKFBJPWZKUXOF-UHFFFAOYSA-N 1 1 274.412 2.518 20 30 CFEDMO Cc1cc(C#N)ccc1N1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000893531010 619039857 /nfs/dbraw/zinc/03/98/57/619039857.db2.gz GIJBXAMRAPENSF-OAHLLOKOSA-N 1 1 280.375 2.984 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001009985113 619070819 /nfs/dbraw/zinc/07/08/19/619070819.db2.gz HCMWDCVMCDQXKX-OAHLLOKOSA-N 1 1 264.413 2.723 20 30 CFEDMO CCCCCCC[NH+]1CCN(C[C@@H]2CCOC2)CC1 ZINC000178504684 619089637 /nfs/dbraw/zinc/08/96/37/619089637.db2.gz XDIJVIJIAXYMSJ-INIZCTEOSA-N 1 1 268.445 2.611 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]Cc1oc(CC)nc1C ZINC000314866029 619094307 /nfs/dbraw/zinc/09/43/07/619094307.db2.gz GMTYPGUEMWQYOJ-UHFFFAOYSA-N 1 1 284.359 2.847 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1c1ccnn1C ZINC000932263070 619224401 /nfs/dbraw/zinc/22/44/01/619224401.db2.gz ALBFSWSQZAMBHR-QGZVFWFLSA-N 1 1 280.375 2.937 20 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264.413 2.722 20 30 CFEDMO CCCCC(N)=[NH+]OCC(=O)Nc1ccc(CC)cc1 ZINC000049066215 619509505 /nfs/dbraw/zinc/50/95/05/619509505.db2.gz MQOITWNFUAYOQY-UHFFFAOYSA-N 1 1 277.368 2.667 20 30 CFEDMO C=CCC[C@H]([NH2+][C@@H]1CCC[C@@H](OC)CC1)C(=O)OCC ZINC000894915829 619512481 /nfs/dbraw/zinc/51/24/81/619512481.db2.gz GRSKXOOIQMZTAK-KFWWJZLASA-N 1 1 283.412 2.822 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](c3nnc(C)[nH]3)C2)cc1 ZINC000895008660 619528037 /nfs/dbraw/zinc/52/80/37/619528037.db2.gz XTSBVAJAGLFQJU-HNNXBMFYSA-N 1 1 298.390 2.667 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](c3nc(C)n[nH]3)C2)cc1 ZINC000895008660 619528040 /nfs/dbraw/zinc/52/80/40/619528040.db2.gz XTSBVAJAGLFQJU-HNNXBMFYSA-N 1 1 298.390 2.667 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CC[C@H](c3nc(C)n[nH]3)C2)cc1 ZINC000895008660 619528041 /nfs/dbraw/zinc/52/80/41/619528041.db2.gz XTSBVAJAGLFQJU-HNNXBMFYSA-N 1 1 298.390 2.667 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CC[C@H](c3n[nH]c(C)n3)C2)cc1 ZINC000895008660 619528042 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DMAWDCBHMBWKDV-ABAIWWIYSA-N 1 1 296.378 2.682 20 30 CFEDMO C[C@@H](NC[C@H]1CCCC[N@@H+]1C1CC1)c1cc(C#N)ccn1 ZINC000902973973 621221426 /nfs/dbraw/zinc/22/14/26/621221426.db2.gz ZHQIKVZDNZWCBT-CZUORRHYSA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@@H](NC[C@H]1CCCC[N@H+]1C1CC1)c1cc(C#N)ccn1 ZINC000902973973 621221429 /nfs/dbraw/zinc/22/14/29/621221429.db2.gz ZHQIKVZDNZWCBT-CZUORRHYSA-N 1 1 284.407 2.621 20 30 CFEDMO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)c1nncn1C ZINC000903060869 621237320 /nfs/dbraw/zinc/23/73/20/621237320.db2.gz HOPJETDTLPQGJI-IUODEOHRSA-N 1 1 283.379 2.735 20 30 CFEDMO C=CC[NH+]1CCC(N[C@H](c2ccccn2)C2CC2)CC1 ZINC000903091052 621249292 /nfs/dbraw/zinc/24/92/92/621249292.db2.gz MBTOMVIJMILPGG-KRWDZBQOSA-N 1 1 271.408 2.773 20 30 CFEDMO Cc1ncccc1C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903069972 621249870 /nfs/dbraw/zinc/24/98/70/621249870.db2.gz NHQTZGBKYNEBIB-GFCCVEGCSA-N 1 1 252.321 2.508 20 30 CFEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1cnn(-c2ccccc2)c1 ZINC000903102140 621253581 /nfs/dbraw/zinc/25/35/81/621253581.db2.gz SQUUFIAYJDJXJV-ZDUSSCGKSA-N 1 1 266.348 2.827 20 30 CFEDMO CN(C)c1ccnc(C[NH2+][C@H]2CCc3ccc(C#N)cc32)c1 ZINC000903198546 621282860 /nfs/dbraw/zinc/28/28/60/621282860.db2.gz MAQSEECTDXPMKP-SFHVURJKSA-N 1 1 292.386 2.796 20 30 CFEDMO CC(=O)OCc1cccc([C@@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000903222379 621293058 /nfs/dbraw/zinc/29/30/58/621293058.db2.gz ZDXSJEUYXNVRKT-GFCCVEGCSA-N 1 1 272.348 2.704 20 30 CFEDMO COc1cc([C@H](C)[NH2+]CC(C)(C)C#N)cc([N+](=O)[O-])c1 ZINC000903222394 621293208 /nfs/dbraw/zinc/29/32/08/621293208.db2.gz ZNHHVIUDUGXJSW-JTQLQIEISA-N 1 1 277.324 2.804 20 30 CFEDMO CC(C)[C@H]1C[N@H+](CCCCC2(C#N)CCC2)CCN1 ZINC000903746485 621432127 /nfs/dbraw/zinc/43/21/27/621432127.db2.gz ZHTXPISKWYLWTP-OAHLLOKOSA-N 1 1 263.429 2.780 20 30 CFEDMO CC(C)[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CCN1 ZINC000903746485 621432131 /nfs/dbraw/zinc/43/21/31/621432131.db2.gz ZHTXPISKWYLWTP-OAHLLOKOSA-N 1 1 263.429 2.780 20 30 CFEDMO N#CC1(CCCCN[C@H]2CC[NH2+]C23CCC3)CCC1 ZINC000903769672 621437897 /nfs/dbraw/zinc/43/78/97/621437897.db2.gz LVYSUXQXTREEEI-AWEZNQCLSA-N 1 1 261.413 2.725 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000832718368 625492746 /nfs/dbraw/zinc/49/27/46/625492746.db2.gz HHWTUPDWYWBCRC-AWEZNQCLSA-N 1 1 264.413 2.722 20 30 CFEDMO CC(C)c1[nH+]ccn1CC(=O)N(O)Cc1ccc(F)cc1 ZINC000904178569 621543729 /nfs/dbraw/zinc/54/37/29/621543729.db2.gz OJDDCRAVGKGPIX-UHFFFAOYSA-N 1 1 291.326 2.564 20 30 CFEDMO C[N@H+]1CC[C@H](CC(=O)N(O)CCCCc2ccccc2)C1 ZINC000904196277 621547838 /nfs/dbraw/zinc/54/78/38/621547838.db2.gz SFCLTAAXSFXEGD-MRXNPFEDSA-N 1 1 290.407 2.569 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(Cc2c[nH]c3ncccc23)no1 ZINC000904624245 621613374 /nfs/dbraw/zinc/61/33/74/621613374.db2.gz SSJZEYOUWIXTMM-CYBMUJFWSA-N 1 1 297.362 2.893 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc([C@H]2CCCS2)no1 ZINC000904617431 621616538 /nfs/dbraw/zinc/61/65/38/621616538.db2.gz LVEWSNVZMDSQFF-VHSXEESVSA-N 1 1 253.371 2.994 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cccn3ccnc23)no1 ZINC000904691769 621626363 /nfs/dbraw/zinc/62/63/63/621626363.db2.gz IJWFPPGHYUEKIU-GFCCVEGCSA-N 1 1 283.335 2.740 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc([C@@H](CCC)OC)no1 ZINC000904727515 621632460 /nfs/dbraw/zinc/63/24/60/621632460.db2.gz INBNMVBIXFSBDY-WDEREUQCSA-N 1 1 253.346 2.913 20 30 CFEDMO C#CC[N@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C(C)C ZINC000905749686 621832186 /nfs/dbraw/zinc/83/21/86/621832186.db2.gz QXCVRLKSHBCFCK-UHFFFAOYSA-N 1 1 298.346 2.759 20 30 CFEDMO C#CC[N@@H+](Cn1cc(-c2ccccc2[N+](=O)[O-])cn1)C(C)C ZINC000905749686 621832190 /nfs/dbraw/zinc/83/21/90/621832190.db2.gz QXCVRLKSHBCFCK-UHFFFAOYSA-N 1 1 298.346 2.759 20 30 CFEDMO C=CC[C@@H]([NH2+]CC1CCC2(CC2)CC1)C(=O)OC ZINC000905778543 621845674 /nfs/dbraw/zinc/84/56/74/621845674.db2.gz RVRHAQCULIJILF-CYBMUJFWSA-N 1 1 251.370 2.664 20 30 CFEDMO C=CC[C@H]([NH2+]C[C@H](C)Cc1ccc(OC)cc1)C(=O)OC ZINC000905764364 621856126 /nfs/dbraw/zinc/85/61/26/621856126.db2.gz XGWDUDJBVYBMEJ-CJNGLKHVSA-N 1 1 291.391 2.581 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)CCC1(O)CCC1 ZINC000905902788 621893762 /nfs/dbraw/zinc/89/37/62/621893762.db2.gz CLEFMZNFCGGGCQ-KRWDZBQOSA-N 1 1 289.419 2.731 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000905981694 621913597 /nfs/dbraw/zinc/91/35/97/621913597.db2.gz XATRDCJAFKJBFX-KRWDZBQOSA-N 1 1 299.418 2.639 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)N(C)c2cccc(C#N)c2)C1 ZINC000906414084 621986827 /nfs/dbraw/zinc/98/68/27/621986827.db2.gz VKOHVAUZFYPFFT-OAHLLOKOSA-N 1 1 285.391 2.643 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)N(CCC#N)CC(C)C)C1 ZINC000906427801 621989476 /nfs/dbraw/zinc/98/94/76/621989476.db2.gz JBUBNMRMQIIGHW-OAHLLOKOSA-N 1 1 279.428 2.507 20 30 CFEDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc(C)c1C#N ZINC000906793902 622048800 /nfs/dbraw/zinc/04/88/00/622048800.db2.gz TXOADOSQPFXMHF-YOEHRIQHSA-N 1 1 299.418 2.587 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cccc(CC)n3)CCC[C@H]12 ZINC000991086857 622063211 /nfs/dbraw/zinc/06/32/11/622063211.db2.gz DHOKNZRHLQSASM-FUHWJXTLSA-N 1 1 299.418 2.557 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CCc3ccc(C#N)cc32)C1 ZINC000907137452 622090012 /nfs/dbraw/zinc/09/00/12/622090012.db2.gz RAYMLIMIPWDJLO-MRXNPFEDSA-N 1 1 297.402 2.569 20 30 CFEDMO CC1(C)CCCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)[C@H]1C#N ZINC000907761881 622160003 /nfs/dbraw/zinc/16/00/03/622160003.db2.gz HVYIWZGHJLKKHA-KKUMJFAQSA-N 1 1 289.423 2.544 20 30 CFEDMO C=CC(C)(C)CC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000908357953 622225269 /nfs/dbraw/zinc/22/52/69/622225269.db2.gz JJPYNBSSZPMDJA-AWEZNQCLSA-N 1 1 278.440 2.922 20 30 CFEDMO C[N@@H+]1CCCC[C@H]1C(=O)OCCCCC1(C#N)CCC1 ZINC000909019848 622301874 /nfs/dbraw/zinc/30/18/74/622301874.db2.gz KBJCZDFPKBPDCZ-AWEZNQCLSA-N 1 1 278.396 2.878 20 30 CFEDMO C[N@H+]1CCCC[C@H]1C(=O)OCCCCC1(C#N)CCC1 ZINC000909019848 622301877 /nfs/dbraw/zinc/30/18/77/622301877.db2.gz KBJCZDFPKBPDCZ-AWEZNQCLSA-N 1 1 278.396 2.878 20 30 CFEDMO C=C(C)C(C)(C)C(=O)N1CCC[N@H+](CC)C[C@H]1C ZINC000910269094 622422146 /nfs/dbraw/zinc/42/21/46/622422146.db2.gz DWGRRCXMCQKWPB-CYBMUJFWSA-N 1 1 252.402 2.531 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC3(F)F)CCC[C@H]12 ZINC000991294124 622492322 /nfs/dbraw/zinc/49/23/22/622492322.db2.gz BGWZQPMEBRFAAZ-VNHYZAJKSA-N 1 1 298.377 2.721 20 30 CFEDMO Cc1cc(Br)cnc1N=NC1C[N@H+](C)C[C@H]1C ZINC000819827393 622564750 /nfs/dbraw/zinc/56/47/50/622564750.db2.gz ISRRDOITVMUMFL-SECBINFHSA-N 1 1 297.200 2.502 20 30 CFEDMO Cc1cc(Br)cnc1N=NC1C[C@@H](C)[N@H+](C)C1 ZINC000819826802 622565366 /nfs/dbraw/zinc/56/53/66/622565366.db2.gz BGXIWIXMWBQUJR-SECBINFHSA-N 1 1 297.200 2.644 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)N2Cc3cccc(C#N)c3C2)C1 ZINC000911922516 622576147 /nfs/dbraw/zinc/57/61/47/622576147.db2.gz GLKNTWUNHVDAFO-INIZCTEOSA-N 1 1 297.402 2.522 20 30 CFEDMO C=CCC[C@H]1CCCN1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000912057086 622613938 /nfs/dbraw/zinc/61/39/38/622613938.db2.gz YQDHKLPMFBKXTA-ZBFHGGJFSA-N 1 1 291.439 2.611 20 30 CFEDMO C=CC1(CC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CCCCC1 ZINC000820273512 622639913 /nfs/dbraw/zinc/63/99/13/622639913.db2.gz VXMNCIZQQBFYES-GJZGRUSLSA-N 1 1 276.424 2.676 20 30 CFEDMO CCOc1ccc(C(=O)/C=C\c2c[nH+]c(N(C)C)n2C)cc1 ZINC000821031745 622826338 /nfs/dbraw/zinc/82/63/38/622826338.db2.gz NCLPIZMIWNLIMV-FLIBITNWSA-N 1 1 299.374 2.781 20 30 CFEDMO CCCCCCCCC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000834314486 625599276 /nfs/dbraw/zinc/59/92/76/625599276.db2.gz HKYOHVJTFGFMBA-LSDHHAIUSA-N 1 1 266.429 2.900 20 30 CFEDMO C=CCC1(C(=O)OCC[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC000821166483 622858910 /nfs/dbraw/zinc/85/89/10/622858910.db2.gz CBJGYHMYTODXBD-HNNXBMFYSA-N 1 1 295.423 2.777 20 30 CFEDMO C=CCCC[N@@H+](C)CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000156297688 622918197 /nfs/dbraw/zinc/91/81/97/622918197.db2.gz DEUZLHTUSNUHDJ-MRXNPFEDSA-N 1 1 280.412 2.653 20 30 CFEDMO C=CCCC[N@H+](C)CN1C(=O)C[C@@](C)(CC(C)C)C1=O ZINC000156297688 622918202 /nfs/dbraw/zinc/91/82/02/622918202.db2.gz DEUZLHTUSNUHDJ-MRXNPFEDSA-N 1 1 280.412 2.653 20 30 CFEDMO CCCCCCC[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000156684049 622954674 /nfs/dbraw/zinc/95/46/74/622954674.db2.gz UNFKUMNUJTVNBG-HNNXBMFYSA-N 1 1 254.418 2.757 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2CCO[C@@H](C)[C@H]2C)c1O ZINC000164514874 622958532 /nfs/dbraw/zinc/95/85/32/622958532.db2.gz NDHHNSJORWCYMX-OLZOCXBDSA-N 1 1 291.391 2.739 20 30 CFEDMO CCCCCCC[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000157796805 623061263 /nfs/dbraw/zinc/06/12/63/623061263.db2.gz IQFZMQFEVSDVCX-CQSZACIVSA-N 1 1 254.418 2.934 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)[C@@H]3C[C@H]3C(C)(C)C)CCC[C@H]12 ZINC000991785899 623140165 /nfs/dbraw/zinc/14/01/65/623140165.db2.gz RQTCDJRMPXXPBQ-BSXFFOKHSA-N 1 1 290.451 2.968 20 30 CFEDMO CC(C)(C)[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000228559055 623150183 /nfs/dbraw/zinc/15/01/83/623150183.db2.gz OKYNNSNPYRGPCY-JKSUJKDBSA-N 1 1 272.392 2.960 20 30 CFEDMO COc1cc(-c2noc([C@@H]([NH3+])CCCC#N)n2)ccc1F ZINC000822711251 623157711 /nfs/dbraw/zinc/15/77/11/623157711.db2.gz CLXQHCXGTINLGH-NSHDSACASA-N 1 1 290.298 2.578 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc(-c2ccc3ncccc3c2)no1 ZINC000822755801 623167955 /nfs/dbraw/zinc/16/79/55/623167955.db2.gz MYGYAJQWWOIOPN-ZDUSSCGKSA-N 1 1 293.330 2.978 20 30 CFEDMO C#C[C@@H](CC)[NH2+]Cc1cccc(Br)c1O ZINC000229891598 623230281 /nfs/dbraw/zinc/23/02/81/623230281.db2.gz WFRKNRBCJQBPCL-JTQLQIEISA-N 1 1 268.154 2.656 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc([C@H]2CCC(F)(F)C2)no1 ZINC000823172973 623251020 /nfs/dbraw/zinc/25/10/20/623251020.db2.gz YHMXWROTQJCXBA-IUCAKERBSA-N 1 1 270.283 2.666 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cccc3ncccc32)no1 ZINC000823185168 623255749 /nfs/dbraw/zinc/25/57/49/623255749.db2.gz OMFADOMXBXITCV-CYBMUJFWSA-N 1 1 293.330 2.978 20 30 CFEDMO Cc1nc2c(cccc2-c2noc([C@H]([NH3+])CCCC#N)n2)[nH]1 ZINC000823186219 623257524 /nfs/dbraw/zinc/25/75/24/623257524.db2.gz YOSSTQKYMCJCBY-LLVKDONJSA-N 1 1 296.334 2.615 20 30 CFEDMO NC(=[NH+]OCc1ccc(F)c(F)c1)C1CCCC1 ZINC000172172453 623268701 /nfs/dbraw/zinc/26/87/01/623268701.db2.gz SJCRTVTYEBENOH-UHFFFAOYSA-N 1 1 254.280 2.944 20 30 CFEDMO CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)CC1CCC1 ZINC000230316647 623271272 /nfs/dbraw/zinc/27/12/72/623271272.db2.gz JNSNQGUKAWDDBA-MRXNPFEDSA-N 1 1 258.365 2.714 20 30 CFEDMO CCCCCCCN1CC[NH+](C(C)(C)COC)CC1 ZINC000823461446 623326870 /nfs/dbraw/zinc/32/68/70/623326870.db2.gz IYOPFCHGVQVPSU-UHFFFAOYSA-N 1 1 270.461 2.999 20 30 CFEDMO C#CCCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000823629230 623365460 /nfs/dbraw/zinc/36/54/60/623365460.db2.gz LKOHDXJEOWBMNC-HUUCEWRRSA-N 1 1 263.768 2.861 20 30 CFEDMO N#CC1CCC(C[N@H+]2CCCC[C@H]2C2OCCO2)CC1 ZINC000929503518 623449704 /nfs/dbraw/zinc/44/97/04/623449704.db2.gz ICCNHCYVYDTQFZ-NRXISQOPSA-N 1 1 278.396 2.544 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)C3CC4(CCC4)C3)CCC[C@@H]12 ZINC000992109908 623457011 /nfs/dbraw/zinc/45/70/11/623457011.db2.gz FTVFTEZBQRCMSK-CRAIPNDOSA-N 1 1 288.435 2.866 20 30 CFEDMO C=CCC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)co3)CCC[C@@H]12 ZINC000992117437 623459027 /nfs/dbraw/zinc/45/90/27/623459027.db2.gz KAPBPVXEEMIMOS-WBVHZDCISA-N 1 1 288.391 2.891 20 30 CFEDMO C=CCC[N@H+](C)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000824250633 623477614 /nfs/dbraw/zinc/47/76/14/623477614.db2.gz SGZGJFVFRPXBCC-CZUORRHYSA-N 1 1 280.412 2.751 20 30 CFEDMO CC(C)COC(=O)[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000824275134 623481795 /nfs/dbraw/zinc/48/17/95/623481795.db2.gz BRLNFNZSBPDLLO-OPFPJEHXSA-N 1 1 266.385 2.636 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CC)CCC[C@@H]12 ZINC000992242353 623496386 /nfs/dbraw/zinc/49/63/86/623496386.db2.gz RBESJYWMYNOTED-KCYZZUKISA-N 1 1 276.424 2.722 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)[C@@H]3CC34CCC4)CCC[C@H]12 ZINC000992255134 623498588 /nfs/dbraw/zinc/49/85/88/623498588.db2.gz BKSXZUDHLBPRPG-RLFYNMQTSA-N 1 1 288.435 2.866 20 30 CFEDMO 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2.534 20 30 CFEDMO C[C@H]1C[N@@H+](Cn2cc3c(c(C#N)c2=O)CCC3)CC(C)(C)C1 ZINC000766632341 627212214 /nfs/dbraw/zinc/21/22/14/627212214.db2.gz MRXZVVAGWDTGDI-CYBMUJFWSA-N 1 1 299.418 2.534 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(OCC)cc(CC=C)c1O ZINC000766665627 627213362 /nfs/dbraw/zinc/21/33/62/627213362.db2.gz JSHRJEWDCGPJCW-CYBMUJFWSA-N 1 1 273.376 2.973 20 30 CFEDMO C#CCCC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000766904360 627226046 /nfs/dbraw/zinc/22/60/46/627226046.db2.gz FLLCHVVXVDYVNN-CQSZACIVSA-N 1 1 265.397 2.844 20 30 CFEDMO C#CCCC[N@@H+](CC(N)=O)[C@@H](C)c1ccc(CCC)cc1 ZINC000766912772 627226589 /nfs/dbraw/zinc/22/65/89/627226589.db2.gz JWOYQLDKZOQSBW-HNNXBMFYSA-N 1 1 286.419 2.901 20 30 CFEDMO C#CCC(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000767073128 627233926 /nfs/dbraw/zinc/23/39/26/627233926.db2.gz YHJIFSKMGPLXAJ-HNNXBMFYSA-N 1 1 278.440 2.807 20 30 CFEDMO COC[C@@H](C)NN=C1C[C@@H](C)C[N@H+](Cc2ccccc2)C1 ZINC000767386780 627247515 /nfs/dbraw/zinc/24/75/15/627247515.db2.gz VBVUZYUPGGHIAF-HUUCEWRRSA-N 1 1 289.423 2.509 20 30 CFEDMO COC[C@@H](C)NN=C1C[C@@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000767386780 627247516 /nfs/dbraw/zinc/24/75/16/627247516.db2.gz VBVUZYUPGGHIAF-HUUCEWRRSA-N 1 1 289.423 2.509 20 30 CFEDMO COc1cccc(C[N@@H+](CCC#N)CC(C)C)c1O ZINC000768153223 627320933 /nfs/dbraw/zinc/32/09/33/627320933.db2.gz BBVGOVGUWNWREZ-UHFFFAOYSA-N 1 1 262.353 2.772 20 30 CFEDMO CC[N@H+]1CCC(N=Nc2cc(C#N)cc(Cl)n2)[C@@H](C)C1 ZINC000768376765 627338906 /nfs/dbraw/zinc/33/89/06/627338906.db2.gz VRRSXQTUHUEXQP-JTQLQIEISA-N 1 1 291.786 2.736 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1 ZINC000768519581 627349245 /nfs/dbraw/zinc/34/92/45/627349245.db2.gz RNASWJVAHOPJIT-IIAWOOMASA-N 1 1 288.391 2.570 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1-n1cncn1)C(C)C ZINC000768550270 627353385 /nfs/dbraw/zinc/35/33/85/627353385.db2.gz JFZHPBBNLSHOAF-UHFFFAOYSA-N 1 1 256.353 2.664 20 30 CFEDMO N#Cc1cccc([C@H]2C[N@@H+](CC3CC=CC3)CCO2)c1 ZINC000851882107 634570363 /nfs/dbraw/zinc/57/03/63/634570363.db2.gz UZVZEFMVDHOAMC-QGZVFWFLSA-N 1 1 268.360 2.898 20 30 CFEDMO C#CC[N@@H+](CC)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000769105669 627402859 /nfs/dbraw/zinc/40/28/59/627402859.db2.gz NXXOELQWOFFWMU-UHFFFAOYSA-N 1 1 273.767 2.981 20 30 CFEDMO C#CC[N@H+](CC)Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000769105669 627402861 /nfs/dbraw/zinc/40/28/61/627402861.db2.gz NXXOELQWOFFWMU-UHFFFAOYSA-N 1 1 273.767 2.981 20 30 CFEDMO C#CCCCCC(=O)OCC[N@H+](C)Cc1ccc(F)cc1 ZINC000769128903 627405769 /nfs/dbraw/zinc/40/57/69/627405769.db2.gz AMKJOBVXQSADSW-UHFFFAOYSA-N 1 1 291.366 2.994 20 30 CFEDMO C#CC[N@H+](Cc1ccc(N(C)C)nc1)C1CCCCC1 ZINC000769145262 627406786 /nfs/dbraw/zinc/40/67/86/627406786.db2.gz GWQHUKCDDBLRHB-UHFFFAOYSA-N 1 1 271.408 2.916 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000769327012 627424307 /nfs/dbraw/zinc/42/43/07/627424307.db2.gz SRUGNAKZANDDFC-WMLDXEAASA-N 1 1 299.418 2.646 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC3)C2)cc1 ZINC000769327012 627424310 /nfs/dbraw/zinc/42/43/10/627424310.db2.gz SRUGNAKZANDDFC-WMLDXEAASA-N 1 1 299.418 2.646 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)cc1 ZINC000769327012 627424313 /nfs/dbraw/zinc/42/43/13/627424313.db2.gz SRUGNAKZANDDFC-WMLDXEAASA-N 1 1 299.418 2.646 20 30 CFEDMO C#CCOc1ccc(C[N@H+](C)Cc2cnn(CC)c2)cc1 ZINC000769426716 627437805 /nfs/dbraw/zinc/43/78/05/627437805.db2.gz HDHLDQJOJJOACK-UHFFFAOYSA-N 1 1 283.375 2.547 20 30 CFEDMO C#CC[N@H+](Cc1ccc(N(C)C)nc1)C1CCCC1 ZINC000769528982 627451989 /nfs/dbraw/zinc/45/19/89/627451989.db2.gz AWKBANYYZVDPFC-UHFFFAOYSA-N 1 1 257.381 2.525 20 30 CFEDMO C[NH+]1CCN(N=Cc2ccc(C(C)(C)C)s2)CC1 ZINC000769794881 627475555 /nfs/dbraw/zinc/47/55/55/627475555.db2.gz IWWKQTJWGZKCAR-UHFFFAOYSA-N 1 1 265.426 2.627 20 30 CFEDMO CC(C)[N@@H+]1CC(N=Nc2ccc(F)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000769828932 627480023 /nfs/dbraw/zinc/48/00/23/627480023.db2.gz LWCNIXJBYJVPEM-JTQLQIEISA-N 1 1 294.330 2.862 20 30 CFEDMO C=CC[C@@H]1[N@@H+](CCS(=O)(=O)C(C)C)CCCC1(C)C ZINC000769952921 627490679 /nfs/dbraw/zinc/49/06/79/627490679.db2.gz GYTNISAAKWHBDQ-AWEZNQCLSA-N 1 1 287.469 2.876 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000769962160 627491488 /nfs/dbraw/zinc/49/14/88/627491488.db2.gz SBYUNPNYNCAPLF-JTQLQIEISA-N 1 1 252.155 2.903 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000769962163 627491552 /nfs/dbraw/zinc/49/15/52/627491552.db2.gz SBYUNPNYNCAPLF-SNVBAGLBSA-N 1 1 252.155 2.903 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000769977243 627494015 /nfs/dbraw/zinc/49/40/15/627494015.db2.gz BMHTUOCBJRKBCZ-NSHDSACASA-N 1 1 282.181 2.781 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)CCOc1ccc(F)cc1Cl ZINC000769978076 627494062 /nfs/dbraw/zinc/49/40/62/627494062.db2.gz OUTUNHMHUVFEGG-JTQLQIEISA-N 1 1 255.720 2.811 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770287462 627511743 /nfs/dbraw/zinc/51/17/43/627511743.db2.gz XLRWUNBMPUIQAB-IRXDYDNUSA-N 1 1 285.387 2.700 20 30 CFEDMO C#CCOc1cccc(-c2noc(C[N@@H+](C)CCC)n2)c1 ZINC000770864155 627552331 /nfs/dbraw/zinc/55/23/31/627552331.db2.gz BZWIOCSCAHGSDE-UHFFFAOYSA-N 1 1 285.347 2.590 20 30 CFEDMO C#CCOc1cccc(-c2noc(C[N@H+](C)CCC)n2)c1 ZINC000770864155 627552334 /nfs/dbraw/zinc/55/23/34/627552334.db2.gz BZWIOCSCAHGSDE-UHFFFAOYSA-N 1 1 285.347 2.590 20 30 CFEDMO C=CC[N@H+](Cn1nccc1-c1cccnc1)C1CC1 ZINC000771640823 627620013 /nfs/dbraw/zinc/62/00/13/627620013.db2.gz SBHJPRQSQPROHN-UHFFFAOYSA-N 1 1 254.337 2.553 20 30 CFEDMO C=CC[N@@H+](Cn1nccc1-c1cccnc1)C1CC1 ZINC000771640823 627620014 /nfs/dbraw/zinc/62/00/14/627620014.db2.gz SBHJPRQSQPROHN-UHFFFAOYSA-N 1 1 254.337 2.553 20 30 CFEDMO C=CC[N@@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000771642855 627620259 /nfs/dbraw/zinc/62/02/59/627620259.db2.gz VFHOUOHATKIQQY-UHFFFAOYSA-N 1 1 286.335 2.861 20 30 CFEDMO C=CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000771642855 627620262 /nfs/dbraw/zinc/62/02/62/627620262.db2.gz VFHOUOHATKIQQY-UHFFFAOYSA-N 1 1 286.335 2.861 20 30 CFEDMO Cc1[nH+]ccn1-c1ccc(C(=O)/C=C/c2ccn(C)n2)cc1 ZINC000773154665 627790176 /nfs/dbraw/zinc/79/01/76/627790176.db2.gz VSFLURLFBOXHTQ-VMPITWQZSA-N 1 1 292.342 2.810 20 30 CFEDMO CC(Cc1ccc(Cl)cc1)=NN1CC[NH+](C)CC1 ZINC000773179458 627792676 /nfs/dbraw/zinc/79/26/76/627792676.db2.gz AFFMHNNJLQHZHK-UHFFFAOYSA-N 1 1 265.788 2.506 20 30 CFEDMO C[NH+](C)CCCCCCCNCc1nc(C#N)cs1 ZINC000810135260 627813323 /nfs/dbraw/zinc/81/33/23/627813323.db2.gz KRYLGBMZTWSKKI-UHFFFAOYSA-N 1 1 280.441 2.616 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C1=CCCCCC1 ZINC000774064576 627883517 /nfs/dbraw/zinc/88/35/17/627883517.db2.gz WXUQWXFHKFOSQD-HNNXBMFYSA-N 1 1 261.365 2.518 20 30 CFEDMO CCOCCO[NH+]=C(C)c1ccc(N2CCCC2)cc1O ZINC000774416270 627922741 /nfs/dbraw/zinc/92/27/41/627922741.db2.gz BKXRRLXIMPOFJX-UHFFFAOYSA-N 1 1 292.379 2.770 20 30 CFEDMO C#CCOCC[N@H+](C)[C@@H](COC)c1ccc(Cl)cc1 ZINC000851992882 634618430 /nfs/dbraw/zinc/61/84/30/634618430.db2.gz DEPGJPYKQGGVCF-HNNXBMFYSA-N 1 1 281.783 2.609 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cccc(Br)c1OC ZINC000775184069 627998765 /nfs/dbraw/zinc/99/87/65/627998765.db2.gz UWDTXKRHYMORHN-JTQLQIEISA-N 1 1 282.181 2.911 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1cccc(Br)c1OC ZINC000775184069 627998768 /nfs/dbraw/zinc/99/87/68/627998768.db2.gz UWDTXKRHYMORHN-JTQLQIEISA-N 1 1 282.181 2.911 20 30 CFEDMO C[C@@H]([NH2+][C@H](C)c1ccc(OCC#N)cc1)c1nccn1C ZINC000775407961 628021672 /nfs/dbraw/zinc/02/16/72/628021672.db2.gz RVYYVWTWPDZLID-CHWSQXEVSA-N 1 1 284.363 2.734 20 30 CFEDMO C#C[C@H](N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[C@H]1CCCO1 ZINC000775572766 628040925 /nfs/dbraw/zinc/04/09/25/628040925.db2.gz CSXITKIBXNLJBK-OQIJWPOYSA-N 1 1 298.430 2.592 20 30 CFEDMO C#C[C@H](N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@H]1CCCO1 ZINC000775572766 628040928 /nfs/dbraw/zinc/04/09/28/628040928.db2.gz CSXITKIBXNLJBK-OQIJWPOYSA-N 1 1 298.430 2.592 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)[C@@H]1CCCO1 ZINC000775573322 628041765 /nfs/dbraw/zinc/04/17/65/628041765.db2.gz GYOUFPVNCADREG-UVBJJODRSA-N 1 1 272.323 2.529 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc(Cl)nc(Cl)c1)[C@@H]1CCCO1 ZINC000775802122 628070471 /nfs/dbraw/zinc/07/04/71/628070471.db2.gz YZXMYCNUZJOPKJ-QWRGUYRKSA-N 1 1 285.174 2.659 20 30 CFEDMO N#CC1(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000775971264 628088748 /nfs/dbraw/zinc/08/87/48/628088748.db2.gz AXBOIQCSSGTTIX-OLZOCXBDSA-N 1 1 276.405 2.940 20 30 CFEDMO N#CC1(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000775971264 628088751 /nfs/dbraw/zinc/08/87/51/628088751.db2.gz AXBOIQCSSGTTIX-OLZOCXBDSA-N 1 1 276.405 2.940 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCOC[C@@]2(C)CC)cc1 ZINC000775980155 628090288 /nfs/dbraw/zinc/09/02/88/628090288.db2.gz FIYCJNKZJLVNHO-QGZVFWFLSA-N 1 1 273.376 2.700 20 30 CFEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000776007885 628092876 /nfs/dbraw/zinc/09/28/76/628092876.db2.gz NOOLQTOBHRTBRL-GFCCVEGCSA-N 1 1 285.347 2.598 20 30 CFEDMO CN(C)c1cc[nH+]cc1C=[NH+][N-]c1ncccc1Cl ZINC000776186470 628113853 /nfs/dbraw/zinc/11/38/53/628113853.db2.gz SKIAJSYAEIUNTO-UHFFFAOYSA-N 1 1 275.743 2.642 20 30 CFEDMO C=CC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000776605515 628163880 /nfs/dbraw/zinc/16/38/80/628163880.db2.gz DRRVPXIXOZKETP-NEPJUHHUSA-N 1 1 254.374 2.502 20 30 CFEDMO C=CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000776605515 628163883 /nfs/dbraw/zinc/16/38/83/628163883.db2.gz DRRVPXIXOZKETP-NEPJUHHUSA-N 1 1 254.374 2.502 20 30 CFEDMO C[C@@H](NCC(C)(C)[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000776725591 628171493 /nfs/dbraw/zinc/17/14/93/628171493.db2.gz NMXLSYNLWPQMDZ-LLVKDONJSA-N 1 1 263.360 2.688 20 30 CFEDMO C[C@@H](NCC[N@@H+]1CCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000776741102 628173288 /nfs/dbraw/zinc/17/32/88/628173288.db2.gz QETKYQUVCKIVIY-QWHCGFSZSA-N 1 1 275.371 2.832 20 30 CFEDMO C[C@@H](NCC[N@H+]1CCC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000776741102 628173290 /nfs/dbraw/zinc/17/32/90/628173290.db2.gz QETKYQUVCKIVIY-QWHCGFSZSA-N 1 1 275.371 2.832 20 30 CFEDMO C#CCOc1cc(F)ccc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000777119359 628201324 /nfs/dbraw/zinc/20/13/24/628201324.db2.gz MORJELRFGOTCJG-LSDHHAIUSA-N 1 1 288.366 2.876 20 30 CFEDMO C=CCCCCC[N@H+](C)CN1CCC2(CCOCC2)C1=O ZINC000777537511 628233522 /nfs/dbraw/zinc/23/35/22/628233522.db2.gz SLXSOQZHGBUMPM-UHFFFAOYSA-N 1 1 294.439 2.651 20 30 CFEDMO C[C@@H]1C[N@H+](C2CC2)CC1N=Nc1cc(Cl)ccn1 ZINC000777906062 628264136 /nfs/dbraw/zinc/26/41/36/628264136.db2.gz RWBWITKLYSZQQA-SECBINFHSA-N 1 1 264.760 2.617 20 30 CFEDMO COc1ccc2nc(N=NC3C[N@@H+](C)C[C@H]3C)c(C)cc2c1 ZINC000777913970 628264498 /nfs/dbraw/zinc/26/44/98/628264498.db2.gz UNFAPQXLCVRHIA-GFCCVEGCSA-N 1 1 298.390 2.901 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[NH2+]CCN1CCCC1 ZINC000778151248 628280588 /nfs/dbraw/zinc/28/05/88/628280588.db2.gz ILWARHXGZUMZMR-UHFFFAOYSA-N 1 1 292.810 2.537 20 30 CFEDMO N#Cc1ccc(F)c(C[NH2+]Cc2ccc(F)nc2)c1 ZINC000778172602 628283665 /nfs/dbraw/zinc/28/36/65/628283665.db2.gz LQLLYVYRQFHBMF-UHFFFAOYSA-N 1 1 259.259 2.521 20 30 CFEDMO C=C(C)C[N@@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000778232152 628290494 /nfs/dbraw/zinc/29/04/94/628290494.db2.gz NPHOMQLIFYHCQJ-UHFFFAOYSA-N 1 1 261.300 2.884 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000778232152 628290497 /nfs/dbraw/zinc/29/04/97/628290497.db2.gz NPHOMQLIFYHCQJ-UHFFFAOYSA-N 1 1 261.300 2.884 20 30 CFEDMO N#CCOc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H]1CCO ZINC000778271324 628293803 /nfs/dbraw/zinc/29/38/03/628293803.db2.gz YXVRGJGOQMRSHS-CQSZACIVSA-N 1 1 294.782 2.589 20 30 CFEDMO CC(C)[C@@H]1C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000779150419 628356159 /nfs/dbraw/zinc/35/61/59/628356159.db2.gz MUPDCLXBBOWRRE-PBHICJAKSA-N 1 1 288.391 2.834 20 30 CFEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000779150419 628356164 /nfs/dbraw/zinc/35/61/64/628356164.db2.gz MUPDCLXBBOWRRE-PBHICJAKSA-N 1 1 288.391 2.834 20 30 CFEDMO CC(C)[C@H]1C[N@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000779150435 628356290 /nfs/dbraw/zinc/35/62/90/628356290.db2.gz MUPDCLXBBOWRRE-RHSMWYFYSA-N 1 1 288.391 2.834 20 30 CFEDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCO1 ZINC000779150435 628356293 /nfs/dbraw/zinc/35/62/93/628356293.db2.gz MUPDCLXBBOWRRE-RHSMWYFYSA-N 1 1 288.391 2.834 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](COC)C1 ZINC000779156811 628357128 /nfs/dbraw/zinc/35/71/28/628357128.db2.gz JPEZQBAMGOBFRS-CYBMUJFWSA-N 1 1 293.794 2.820 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000779199523 628359568 /nfs/dbraw/zinc/35/95/68/628359568.db2.gz CZJRLQXGPDNZQU-SWLSCSKDSA-N 1 1 293.794 2.555 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000779199523 628359569 /nfs/dbraw/zinc/35/95/69/628359569.db2.gz CZJRLQXGPDNZQU-SWLSCSKDSA-N 1 1 293.794 2.555 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000779199522 628359713 /nfs/dbraw/zinc/35/97/13/628359713.db2.gz CZJRLQXGPDNZQU-IUODEOHRSA-N 1 1 293.794 2.555 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000779199522 628359715 /nfs/dbraw/zinc/35/97/15/628359715.db2.gz CZJRLQXGPDNZQU-IUODEOHRSA-N 1 1 293.794 2.555 20 30 CFEDMO COCCON=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779774536 628402145 /nfs/dbraw/zinc/40/21/45/628402145.db2.gz HQXGSMJTYPUJSF-MRXNPFEDSA-N 1 1 276.380 2.547 20 30 CFEDMO C[C@H]1C[NH+]=C(NN=Cc2ccccc2-c2ccccc2)N1 ZINC000779793691 628406618 /nfs/dbraw/zinc/40/66/18/628406618.db2.gz XOAXLSYJIPVRLT-ZDUSSCGKSA-N 1 1 278.359 2.625 20 30 CFEDMO Brc1ccccc1C=NNc1cc[nH+]cc1 ZINC000779809529 628409283 /nfs/dbraw/zinc/40/92/83/628409283.db2.gz KMFZKZJZDUIPTM-UHFFFAOYSA-N 1 1 276.137 2.712 20 30 CFEDMO Cc1cc(C)c2c(c1)C(=NNc1cc[nH+]cc1)CCO2 ZINC000779812593 628409666 /nfs/dbraw/zinc/40/96/66/628409666.db2.gz SXJICASCRHMZBM-UHFFFAOYSA-N 1 1 267.332 2.719 20 30 CFEDMO C#CC[N@@H+](CC#CC)CCCc1ccccc1OC ZINC000780287754 628451419 /nfs/dbraw/zinc/45/14/19/628451419.db2.gz FZHLUNQKZYFIJL-UHFFFAOYSA-N 1 1 255.361 2.586 20 30 CFEDMO CCCCCCC[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000780324672 628454525 /nfs/dbraw/zinc/45/45/25/628454525.db2.gz GVECBLLPIKRDAP-UHFFFAOYSA-N 1 1 264.417 2.945 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccccc1F ZINC000780329568 628455487 /nfs/dbraw/zinc/45/54/87/628455487.db2.gz KTRQPNJIVZJPDE-LLVKDONJSA-N 1 1 255.296 2.943 20 30 CFEDMO C#CCCCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000780649691 628485132 /nfs/dbraw/zinc/48/51/32/628485132.db2.gz MOLMDHIFKRYRSR-HOTGVXAUSA-N 1 1 276.424 2.513 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1ccn(-c2ccccc2F)n1 ZINC000852103628 634659413 /nfs/dbraw/zinc/65/94/13/634659413.db2.gz NAPBZOGCEIBTSV-INIZCTEOSA-N 1 1 271.339 2.903 20 30 CFEDMO C#CCCCCCC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000780725822 628489488 /nfs/dbraw/zinc/48/94/88/628489488.db2.gz VVFRVBWSDMVBFN-JKSUJKDBSA-N 1 1 278.440 2.901 20 30 CFEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1nnnn1C1CCCCC1 ZINC000852103593 634659508 /nfs/dbraw/zinc/65/95/08/634659508.db2.gz LRFFLQJJLHICSV-IUODEOHRSA-N 1 1 275.400 2.631 20 30 CFEDMO C#CCOCC[N@@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000852143551 634669980 /nfs/dbraw/zinc/66/99/80/634669980.db2.gz OTXCOPGKAAWMQI-MRXNPFEDSA-N 1 1 283.375 2.740 20 30 CFEDMO C#CCOCC[N@H+]1CCCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000852143551 634669982 /nfs/dbraw/zinc/66/99/82/634669982.db2.gz OTXCOPGKAAWMQI-MRXNPFEDSA-N 1 1 283.375 2.740 20 30 CFEDMO C#CCCC[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000852135130 634667773 /nfs/dbraw/zinc/66/77/73/634667773.db2.gz LBEQFIZVZPJVGY-UHFFFAOYSA-N 1 1 272.396 2.752 20 30 CFEDMO CCc1cc(NCc2ccc(OC)c(C#N)c2)nc(C)[nH+]1 ZINC000782150590 628608671 /nfs/dbraw/zinc/60/86/71/628608671.db2.gz NECTXVNSRINPCI-UHFFFAOYSA-N 1 1 282.347 2.840 20 30 CFEDMO C=C[C@](C)(CCOC)C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000782442450 628638583 /nfs/dbraw/zinc/63/85/83/628638583.db2.gz LVYZCGGKANWKHB-GOEBONIOSA-N 1 1 283.412 2.633 20 30 CFEDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)c(C)n1 ZINC000783294749 628698199 /nfs/dbraw/zinc/69/81/99/628698199.db2.gz VMCKPUXRQIHCQQ-GFCCVEGCSA-N 1 1 266.348 2.816 20 30 CFEDMO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(F)cn1 ZINC000783294365 628698484 /nfs/dbraw/zinc/69/84/84/628698484.db2.gz OODUHYZSJPOCPF-INIZCTEOSA-N 1 1 284.338 2.974 20 30 CFEDMO N#Cc1ccc(C[NH2+][C@@H]2CCCOc3ccccc32)nc1 ZINC000783294722 628698489 /nfs/dbraw/zinc/69/84/89/628698489.db2.gz URRQIVKPSBNGSE-MRXNPFEDSA-N 1 1 279.343 2.957 20 30 CFEDMO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1ccccc1Cl ZINC000783533416 628718015 /nfs/dbraw/zinc/71/80/15/628718015.db2.gz ZSXKCQIIPXYMAT-LLVKDONJSA-N 1 1 287.812 2.591 20 30 CFEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000805749304 628729985 /nfs/dbraw/zinc/72/99/85/628729985.db2.gz WNKKZCRFYHBAOP-MSOLQXFVSA-N 1 1 293.370 2.824 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000805753314 628749593 /nfs/dbraw/zinc/74/95/93/628749593.db2.gz NOUAULRMWYEDER-CQSZACIVSA-N 1 1 265.784 2.587 20 30 CFEDMO CCCC[C@H](ON=C(C)C)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000783919484 628755689 /nfs/dbraw/zinc/75/56/89/628755689.db2.gz YONOQEFQNRZYAZ-CABCVRRESA-N 1 1 297.443 2.558 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cnc(-c2ccco2)s1)[C@@H]1CCCO1 ZINC000785513993 628890599 /nfs/dbraw/zinc/89/05/99/628890599.db2.gz QMCQNXDUGWHISA-STQMWFEESA-N 1 1 288.372 2.674 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2scnc2C2CC2)nc1 ZINC000785518155 628891455 /nfs/dbraw/zinc/89/14/55/628891455.db2.gz OZNOVXXCPBOJQH-UHFFFAOYSA-N 1 1 270.361 2.577 20 30 CFEDMO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCc1cc(F)ccc1C#N ZINC000785739357 628910107 /nfs/dbraw/zinc/91/01/07/628910107.db2.gz XVSANTSRPSEXNU-VXGBXAGGSA-N 1 1 290.338 2.613 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+](CCN1CCCCCC1)C1CCC1 ZINC000805789205 628918500 /nfs/dbraw/zinc/91/85/00/628918500.db2.gz YCUZEDAGUUOYNI-INIZCTEOSA-N 1 1 293.455 2.646 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](CCN1CCCCCC1)C1CCC1 ZINC000805789205 628918502 /nfs/dbraw/zinc/91/85/02/628918502.db2.gz YCUZEDAGUUOYNI-INIZCTEOSA-N 1 1 293.455 2.646 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1CC1CCC2(CC1)OCCO2 ZINC000785997164 628929209 /nfs/dbraw/zinc/92/92/09/628929209.db2.gz JUGPHHYIGYTJDO-OAHLLOKOSA-N 1 1 265.397 2.960 20 30 CFEDMO C=CCC[N@@H+](C)CN1C(=O)N[C@@](C)(CCCCCC)C1=O ZINC000786101583 628936905 /nfs/dbraw/zinc/93/69/05/628936905.db2.gz NDZPQCRLNDZGNI-INIZCTEOSA-N 1 1 295.427 2.733 20 30 CFEDMO C=CCC[N@H+](C)CN1C(=O)N[C@@](C)(CCCCCC)C1=O ZINC000786101583 628936906 /nfs/dbraw/zinc/93/69/06/628936906.db2.gz NDZPQCRLNDZGNI-INIZCTEOSA-N 1 1 295.427 2.733 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@H](c2cccc(C)c2)CC1=O ZINC000786102739 628937159 /nfs/dbraw/zinc/93/71/59/628937159.db2.gz SWPBEHYSWXUDQT-MRXNPFEDSA-N 1 1 272.392 2.776 20 30 CFEDMO C=C[C@@H](C)OC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786499331 628961569 /nfs/dbraw/zinc/96/15/69/628961569.db2.gz CBGKVOOOHMPAET-SECBINFHSA-N 1 1 293.273 2.936 20 30 CFEDMO CCCCCCCC[N@H+]1CCOC[C@H]1CC(=O)OC ZINC000805818934 628977464 /nfs/dbraw/zinc/97/74/64/628977464.db2.gz LOZOHEGPHSYRAM-CQSZACIVSA-N 1 1 271.401 2.611 20 30 CFEDMO C#C[C@H]([NH2+][C@H](COC)c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000786914187 628984361 /nfs/dbraw/zinc/98/43/61/628984361.db2.gz AGMPGPAZNUPJTL-ARFHVFGLSA-N 1 1 293.794 2.798 20 30 CFEDMO C#CC[C@H](NC(=O)N[C@@H]1CC[N@H+](CCC)C1)c1ccccc1 ZINC000852229279 634698847 /nfs/dbraw/zinc/69/88/47/634698847.db2.gz QHCXRBPATBZEDH-SJORKVTESA-N 1 1 299.418 2.535 20 30 CFEDMO CCCCCCCC[N@H+]1CCCN(CC)C(=O)C1 ZINC000787319159 629006803 /nfs/dbraw/zinc/00/68/03/629006803.db2.gz QETSCKAJXOCXEO-UHFFFAOYSA-N 1 1 254.418 2.901 20 30 CFEDMO CCCCCCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000787329035 629007186 /nfs/dbraw/zinc/00/71/86/629007186.db2.gz BWQHNQXVLNSPGH-MELADBBJSA-N 1 1 252.402 2.543 20 30 CFEDMO C#CCC1(C(=O)NCC[N@H+](CC)C(C)C)CCCCC1 ZINC000788196665 629049621 /nfs/dbraw/zinc/04/96/21/629049621.db2.gz BBWGWTLEOUXUEK-UHFFFAOYSA-N 1 1 278.440 2.807 20 30 CFEDMO C#CCC1(C(=O)N2CC[N@H+](C)[C@@H](C)[C@@H]2C)CCCCC1 ZINC000788238324 629052273 /nfs/dbraw/zinc/05/22/73/629052273.db2.gz LJDQQENWEBXAOL-GJZGRUSLSA-N 1 1 276.424 2.511 20 30 CFEDMO C#CCC1(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CCCCC1 ZINC000788231392 629052521 /nfs/dbraw/zinc/05/25/21/629052521.db2.gz DJPBLOKVWNWGOF-ZBFHGGJFSA-N 1 1 288.435 2.559 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)CCCCO ZINC000788269192 629054277 /nfs/dbraw/zinc/05/42/77/629054277.db2.gz NDAQGFVFWNDBTE-UHFFFAOYSA-N 1 1 281.783 2.556 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)CCCCO ZINC000788269192 629054282 /nfs/dbraw/zinc/05/42/82/629054282.db2.gz NDAQGFVFWNDBTE-UHFFFAOYSA-N 1 1 281.783 2.556 20 30 CFEDMO C#CCC1(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCCC1 ZINC000788446504 629068236 /nfs/dbraw/zinc/06/82/36/629068236.db2.gz BJRXRKJSCIFPGS-HOTGVXAUSA-N 1 1 290.451 2.901 20 30 CFEDMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=NN[C@@H]2CCOC2)C3)cc1 ZINC000788452099 629069103 /nfs/dbraw/zinc/06/91/03/629069103.db2.gz JGDYUEDIDPUNGT-NXHRZFHOSA-N 1 1 299.418 2.548 20 30 CFEDMO COc1cc(N=NC2C[N@@H+](C)C[C@@H]2C)ccc1Cl ZINC000788468965 629072018 /nfs/dbraw/zinc/07/20/18/629072018.db2.gz ZTLFFYWDBNLMPZ-VIFPVBQESA-N 1 1 267.760 2.698 20 30 CFEDMO COc1ccc2nc(C=NNc3cc[nH+]cc3)sc2c1 ZINC000788726367 629095042 /nfs/dbraw/zinc/09/50/42/629095042.db2.gz UQZIFEFKIUIBHV-UHFFFAOYSA-N 1 1 284.344 2.568 20 30 CFEDMO C=CC[C@@H](CO)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788816600 629102265 /nfs/dbraw/zinc/10/22/65/629102265.db2.gz UHCHVOCSNWTLPR-ZJUUUORDSA-N 1 1 289.297 2.999 20 30 CFEDMO C#CCn1ccc(C[N@H+](CC)CCOc2ccc(C)cc2)n1 ZINC000789330469 629147653 /nfs/dbraw/zinc/14/76/53/629147653.db2.gz SPLTVXHKPNQSHI-UHFFFAOYSA-N 1 1 297.402 2.726 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)CCOc2ccc(C)cc2)n1 ZINC000789330469 629147655 /nfs/dbraw/zinc/14/76/55/629147655.db2.gz SPLTVXHKPNQSHI-UHFFFAOYSA-N 1 1 297.402 2.726 20 30 CFEDMO CCN(C)c1ccc(C=[NH+]Nc2ccc3n[nH]cc3c2)cn1 ZINC000790173379 629215675 /nfs/dbraw/zinc/21/56/75/629215675.db2.gz IGMJWSRXAUAXSJ-UHFFFAOYSA-N 1 1 294.362 2.860 20 30 CFEDMO CCN(C)c1ccc(C(C)=[NH+][N-]c2[nH+]ccn2C)cc1 ZINC000790299977 629227297 /nfs/dbraw/zinc/22/72/97/629227297.db2.gz LDVGFBKKQLCYLC-UHFFFAOYSA-N 1 1 271.368 2.712 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC000852319559 634718956 /nfs/dbraw/zinc/71/89/56/634718956.db2.gz PAINIYOVTFYTCA-GFCCVEGCSA-N 1 1 298.342 2.624 20 30 CFEDMO C#C[C@H](CCC)[NH2+][C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000790546268 629246952 /nfs/dbraw/zinc/24/69/52/629246952.db2.gz IKGYCZLYHAXVGM-IAGOWNOFSA-N 1 1 286.419 2.988 20 30 CFEDMO C[C@@H](C[N@H+]1CCC[C@@H](CC#N)C1)NC(=O)OC(C)(C)C ZINC000852318954 634719638 /nfs/dbraw/zinc/71/96/38/634719638.db2.gz CPTXBQGHUYGEPD-STQMWFEESA-N 1 1 281.400 2.525 20 30 CFEDMO C#CCCCCCC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000790584839 629250779 /nfs/dbraw/zinc/25/07/79/629250779.db2.gz XQUIVCWNBCUXNO-OAHLLOKOSA-N 1 1 278.440 2.807 20 30 CFEDMO N#C[C@]1(c2ccccn2)CCC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000852332851 634724677 /nfs/dbraw/zinc/72/46/77/634724677.db2.gz WHDHUJBSHLJCRE-SJLPKXTDSA-N 1 1 299.418 2.898 20 30 CFEDMO N#C[C@]1(c2ccccn2)CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000852332851 634724681 /nfs/dbraw/zinc/72/46/81/634724681.db2.gz WHDHUJBSHLJCRE-SJLPKXTDSA-N 1 1 299.418 2.898 20 30 CFEDMO CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)C1 ZINC000852333417 634724964 /nfs/dbraw/zinc/72/49/64/634724964.db2.gz LVSDXFIQPPUVKQ-BFYDXBDKSA-N 1 1 285.391 2.506 20 30 CFEDMO CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@](C#N)(c3ccccn3)C2)C1 ZINC000852333417 634724967 /nfs/dbraw/zinc/72/49/67/634724967.db2.gz LVSDXFIQPPUVKQ-BFYDXBDKSA-N 1 1 285.391 2.506 20 30 CFEDMO C=CC[N@@H+](C/C=C\c1ccc(N(C)C)cc1)CCOC ZINC000835049297 629348186 /nfs/dbraw/zinc/34/81/86/629348186.db2.gz CSZKRXXYZDNLHN-SREVYHEPSA-N 1 1 274.408 2.900 20 30 CFEDMO C=CC[N@H+](CCC(=O)Nc1ccc(N(C)C)cc1)C(C)C ZINC000792206549 629410705 /nfs/dbraw/zinc/41/07/05/629410705.db2.gz MUUUSFLZVHIFNJ-UHFFFAOYSA-N 1 1 289.423 2.978 20 30 CFEDMO CCn1ccc(C[N@@H+](C)C[C@@H](O)c2ccc(C#N)cc2)c1 ZINC000792314211 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ZINC000843423462 631952471 /nfs/dbraw/zinc/95/24/71/631952471.db2.gz DZRNPLGVVKXGBJ-AWEZNQCLSA-N 1 1 273.376 2.939 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000843423222 631952681 /nfs/dbraw/zinc/95/26/81/631952681.db2.gz AJTLZNFPWYXOMF-CQSZACIVSA-N 1 1 273.376 2.939 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000843424285 631953584 /nfs/dbraw/zinc/95/35/84/631953584.db2.gz YCUMUTCNIUARCK-SNVBAGLBSA-N 1 1 271.286 2.664 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000843424285 631953585 /nfs/dbraw/zinc/95/35/85/631953585.db2.gz YCUMUTCNIUARCK-SNVBAGLBSA-N 1 1 271.286 2.664 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccccc2-n2cncn2)C1 ZINC000843423823 631953717 /nfs/dbraw/zinc/95/37/17/631953717.db2.gz KNBPPOSZTITYFE-OAHLLOKOSA-N 1 1 280.375 2.503 20 30 CFEDMO C#C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C ZINC000813776451 631958699 /nfs/dbraw/zinc/95/86/99/631958699.db2.gz FMLVAFKGCQJACP-HOTGVXAUSA-N 1 1 290.451 2.948 20 30 CFEDMO C#CC1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000843708400 632035805 /nfs/dbraw/zinc/03/58/05/632035805.db2.gz ZPCAXGPHEZTFMQ-GOSISDBHSA-N 1 1 296.414 2.523 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)C[C@H](C)CCC=C(C)C)CC1 ZINC000843781400 632054829 /nfs/dbraw/zinc/05/48/29/632054829.db2.gz VAAAMLURMVCZNI-QGZVFWFLSA-N 1 1 290.451 2.927 20 30 CFEDMO C#C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000843967596 632085972 /nfs/dbraw/zinc/08/59/72/632085972.db2.gz OBBPPAHVOKIGLT-ROUUACIJSA-N 1 1 296.414 2.884 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000843992272 632089460 /nfs/dbraw/zinc/08/94/60/632089460.db2.gz CIMZVMQAPAYKJN-IRXDYDNUSA-N 1 1 288.435 2.559 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C1CCC1)C1CCCC1 ZINC000843992272 632089464 /nfs/dbraw/zinc/08/94/64/632089464.db2.gz CIMZVMQAPAYKJN-IRXDYDNUSA-N 1 1 288.435 2.559 20 30 CFEDMO C#CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000843999468 632092231 /nfs/dbraw/zinc/09/22/31/632092231.db2.gz OULRLUBHIJNEPM-RDJZCZTQSA-N 1 1 288.435 2.655 20 30 CFEDMO C#CC[C@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC000844002396 632092687 /nfs/dbraw/zinc/09/26/87/632092687.db2.gz WISRFBPZGZGJLH-INIZCTEOSA-N 1 1 278.440 2.760 20 30 CFEDMO C#CC[C@@H]1CCCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC000844002397 632092979 /nfs/dbraw/zinc/09/29/79/632092979.db2.gz WISRFBPZGZGJLH-MRXNPFEDSA-N 1 1 278.440 2.760 20 30 CFEDMO c1cc2c3c(c1)C(=NNCC[NH+]1CCCCC1)CC[C@@H]3CN2 ZINC000814809029 632129525 /nfs/dbraw/zinc/12/95/25/632129525.db2.gz XHVHGJSCUSMACV-CQSZACIVSA-N 1 1 298.434 2.769 20 30 CFEDMO C#CCOCC[N@H+](C)Cc1cccc(OC(F)(F)F)c1 ZINC000844312897 632165529 /nfs/dbraw/zinc/16/55/29/632165529.db2.gz IMOVDWHYPYTHMI-UHFFFAOYSA-N 1 1 287.281 2.667 20 30 CFEDMO C#CC[N@@H+](C)CCCNc1ccnc2ccc(Cl)cc21 ZINC000814929628 632169396 /nfs/dbraw/zinc/16/93/96/632169396.db2.gz NHDSIFOBMMLATD-UHFFFAOYSA-N 1 1 287.794 2.677 20 30 CFEDMO C#CC[N@H+](C)CCCNc1ncc(C(C)C)s1 ZINC000814928927 632169417 /nfs/dbraw/zinc/16/94/17/632169417.db2.gz NJYYNCIZHISUPL-UHFFFAOYSA-N 1 1 251.399 2.634 20 30 CFEDMO CC(=[NH+]N[C@@H]1CCSC1)c1ccc(Cl)c(N)c1 ZINC000814933256 632171085 /nfs/dbraw/zinc/17/10/85/632171085.db2.gz JDTJJCOWKYNJGU-SNVBAGLBSA-N 1 1 269.801 2.741 20 30 CFEDMO C#CCON=C1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000814936329 632173493 /nfs/dbraw/zinc/17/34/93/632173493.db2.gz LAPFFRIOSZSRFQ-CQSZACIVSA-N 1 1 256.349 2.677 20 30 CFEDMO CC(C)CC(=O)CC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844368307 632181816 /nfs/dbraw/zinc/18/18/16/632181816.db2.gz JQKQMFZVUIKYMA-QGZVFWFLSA-N 1 1 288.391 2.529 20 30 CFEDMO COc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C#N)C2)cc1F ZINC000815010220 632187023 /nfs/dbraw/zinc/18/70/23/632187023.db2.gz PXHQJIUOSUSLNV-DGCLKSJQSA-N 1 1 262.328 2.958 20 30 CFEDMO C#CCNC(=O)CC[N@H+](CCCC)Cc1ccccc1F ZINC000815030182 632189408 /nfs/dbraw/zinc/18/94/08/632189408.db2.gz XFGNFVVGCFVVNI-UHFFFAOYSA-N 1 1 290.382 2.567 20 30 CFEDMO C#CCNC(=O)CC[N@H+](CCCC)[C@H](C)c1ccc(C)o1 ZINC000815030246 632189804 /nfs/dbraw/zinc/18/98/04/632189804.db2.gz YQPQWVGQKKAIKF-OAHLLOKOSA-N 1 1 290.407 2.891 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(OCC#N)cc2)[C@@H](CC)CO1 ZINC000844386194 632189884 /nfs/dbraw/zinc/18/98/84/632189884.db2.gz HHUBUEDZSNPDCW-JKSUJKDBSA-N 1 1 288.391 2.978 20 30 CFEDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(OCC#N)cc1 ZINC000844387858 632190632 /nfs/dbraw/zinc/19/06/32/632190632.db2.gz UVKVUSXXJWWUGC-HNNXBMFYSA-N 1 1 288.391 2.978 20 30 CFEDMO C=CCOCC[N@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000815055145 632191799 /nfs/dbraw/zinc/19/17/99/632191799.db2.gz UGAUZRYULINRCU-MRXNPFEDSA-N 1 1 263.381 2.553 20 30 CFEDMO C[C@@H]1CCC[N@H+](CCC#N)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844398424 632195249 /nfs/dbraw/zinc/19/52/49/632195249.db2.gz UAHDTGPCHDRICY-KGLIPLIRSA-N 1 1 295.427 2.915 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CCC#N)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844398424 632195252 /nfs/dbraw/zinc/19/52/52/632195252.db2.gz UAHDTGPCHDRICY-KGLIPLIRSA-N 1 1 295.427 2.915 20 30 CFEDMO COc1ccc(N(C)CC[N@@H+](C)[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000844401163 632196413 /nfs/dbraw/zinc/19/64/13/632196413.db2.gz IHZYBMURWQLLRZ-ZBFHGGJFSA-N 1 1 287.407 2.755 20 30 CFEDMO C[C@@H](CO)C1CC[NH+](Cc2ccc(F)cc2C#N)CC1 ZINC000844419448 632202992 /nfs/dbraw/zinc/20/29/92/632202992.db2.gz MROYGUKSUQQSTO-LBPRGKRZSA-N 1 1 276.355 2.538 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000815116798 632204890 /nfs/dbraw/zinc/20/48/90/632204890.db2.gz FHAXOHAIVOAQME-IBGZPJMESA-N 1 1 297.373 2.865 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]Cc1conc1CC ZINC000815126286 632209434 /nfs/dbraw/zinc/20/94/34/632209434.db2.gz KMKRVLLLOXTQLF-UHFFFAOYSA-N 1 1 270.332 2.539 20 30 CFEDMO C=CCC[N@H+]1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000005283043 632238559 /nfs/dbraw/zinc/23/85/59/632238559.db2.gz MULSCVKOKKCPFX-HNNXBMFYSA-N 1 1 259.349 2.770 20 30 CFEDMO CC#CC[N@@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000815282454 632243364 /nfs/dbraw/zinc/24/33/64/632243364.db2.gz MYMJTHSFOFRGEN-KRWDZBQOSA-N 1 1 273.376 2.700 20 30 CFEDMO C=C(C)CO[NH+]=C(C)c1ccc(N2CCOCC2)c(F)c1 ZINC000844615170 632263044 /nfs/dbraw/zinc/26/30/44/632263044.db2.gz NTNNPNYDZYNWFH-UHFFFAOYSA-N 1 1 292.354 2.979 20 30 CFEDMO C=C(C)CON=C1CC[NH+](Cc2ccccn2)CC1 ZINC000844616991 632263353 /nfs/dbraw/zinc/26/33/53/632263353.db2.gz IWUZBINYTZMNOL-UHFFFAOYSA-N 1 1 259.353 2.626 20 30 CFEDMO C[C@@H]1[C@H](C)N(C(=O)/C=C/c2ccccc2C#N)[C@@H](C)C[N@H+]1C ZINC000844647598 632273808 /nfs/dbraw/zinc/27/38/08/632273808.db2.gz ZJYXRKLBUHTNAS-BNWICZARSA-N 1 1 297.402 2.511 20 30 CFEDMO C=CCCC(=O)COC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815446673 632276310 /nfs/dbraw/zinc/27/63/10/632276310.db2.gz BCKOYJJCZLAINN-MRXNPFEDSA-N 1 1 293.407 2.862 20 30 CFEDMO C=CCCC(=O)COC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000815446673 632276311 /nfs/dbraw/zinc/27/63/11/632276311.db2.gz BCKOYJJCZLAINN-MRXNPFEDSA-N 1 1 293.407 2.862 20 30 CFEDMO C=CCCCC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000856358567 635796831 /nfs/dbraw/zinc/79/68/31/635796831.db2.gz RLRMUEMWWUTNEL-INIZCTEOSA-N 1 1 272.392 2.733 20 30 CFEDMO C=CCC(F)(F)C(=O)Nc1c[nH+]ccc1-n1cc(C)cn1 ZINC000815867735 632326912 /nfs/dbraw/zinc/32/69/12/632326912.db2.gz UFNRKIZWTVGJPP-UHFFFAOYSA-N 1 1 292.289 2.726 20 30 CFEDMO C#CC[NH+](CC#C)C/C(C)=C\c1ccccc1COC ZINC000816513373 632475876 /nfs/dbraw/zinc/47/58/76/632475876.db2.gz OLNIWVQXJNDCHK-SSZFMOIBSA-N 1 1 267.372 2.805 20 30 CFEDMO C=C(C)CONC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000845613359 632484594 /nfs/dbraw/zinc/48/45/94/632484594.db2.gz CKJMLJKPMHUGJX-UHFFFAOYSA-N 1 1 297.443 2.838 20 30 CFEDMO C=C[C@H](C)ONC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000845615297 632485722 /nfs/dbraw/zinc/48/57/22/632485722.db2.gz NONNITUAKUJITP-AWEZNQCLSA-N 1 1 297.443 2.836 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCCO[C@H](C(C)C)C2)cc1 ZINC000816676005 632509901 /nfs/dbraw/zinc/50/99/01/632509901.db2.gz QFIASXNIEBRJQH-KRWDZBQOSA-N 1 1 257.377 2.915 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCCO[C@@H](C(C)C)C2)cc1 ZINC000816676006 632510146 /nfs/dbraw/zinc/51/01/46/632510146.db2.gz QFIASXNIEBRJQH-QGZVFWFLSA-N 1 1 257.377 2.915 20 30 CFEDMO CCCCCCCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000816750324 632519236 /nfs/dbraw/zinc/51/92/36/632519236.db2.gz LIGLGQVUQGCXFD-JKSUJKDBSA-N 1 1 296.455 2.669 20 30 CFEDMO C#Cc1ccccc1CC(=O)OC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000845727770 632535461 /nfs/dbraw/zinc/53/54/61/632535461.db2.gz DFWFZCVFEHKZDE-MRXNPFEDSA-N 1 1 285.387 2.626 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@H]1COC(=O)c1ccc(C#N)cc1 ZINC000845741709 632546962 /nfs/dbraw/zinc/54/69/62/632546962.db2.gz WXRADHLOPLGVML-CQSZACIVSA-N 1 1 272.348 2.588 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)C[C@H](CC)O1 ZINC000817280671 632592373 /nfs/dbraw/zinc/59/23/73/632592373.db2.gz JVFQTFPHKUFPEC-IYBDPMFKSA-N 1 1 288.391 2.978 20 30 CFEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C(=O)OCC(C)C)C1 ZINC000845962766 632604965 /nfs/dbraw/zinc/60/49/65/632604965.db2.gz BAIZTMPWGJVGGK-MJBXVCDLSA-N 1 1 253.386 2.909 20 30 CFEDMO Cc1cccc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c1O ZINC000846006684 632612040 /nfs/dbraw/zinc/61/20/40/632612040.db2.gz KLGXZPLJYSCQIY-QGZVFWFLSA-N 1 1 296.370 2.738 20 30 CFEDMO Cc1nc(F)ccc1C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846008834 632612400 /nfs/dbraw/zinc/61/24/00/632612400.db2.gz YEIOVZHCTPZRTB-MRXNPFEDSA-N 1 1 299.349 2.566 20 30 CFEDMO N#CC1(C[NH2+]Cc2cnn3ccccc23)CCCC1 ZINC000846010750 632613073 /nfs/dbraw/zinc/61/30/73/632613073.db2.gz OKAYLPOZFZQYGK-UHFFFAOYSA-N 1 1 254.337 2.508 20 30 CFEDMO C#Cc1ccc(C[NH2+]C(C)(C)c2cn(C(C)C)nn2)cc1 ZINC000817419538 632628553 /nfs/dbraw/zinc/62/85/53/632628553.db2.gz IFSRGWWWSUWOAT-UHFFFAOYSA-N 1 1 282.391 2.865 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000846117903 632638820 /nfs/dbraw/zinc/63/88/20/632638820.db2.gz SJHKIODWWWIAEK-HNNXBMFYSA-N 1 1 277.314 2.930 20 30 CFEDMO C#CCOc1ccc([C@H](C)NCCC[NH2+]C(C)C)cc1 ZINC000817952311 632752660 /nfs/dbraw/zinc/75/26/60/632752660.db2.gz DNGUAZPDTNTGLZ-HNNXBMFYSA-N 1 1 274.408 2.737 20 30 CFEDMO C#CCOc1ccc([C@H](C)[NH2+][C@H](CN)CC(C)C)cc1 ZINC000817958387 632756406 /nfs/dbraw/zinc/75/64/06/632756406.db2.gz JFGHLMVJHQRTFN-HOCLYGCPSA-N 1 1 274.408 2.723 20 30 CFEDMO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CN)CC(C)C)cc1 ZINC000817958385 632757125 /nfs/dbraw/zinc/75/71/25/632757125.db2.gz JFGHLMVJHQRTFN-GDBMZVCRSA-N 1 1 274.408 2.723 20 30 CFEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](CN)CCCC)cc1 ZINC000817962159 632762105 /nfs/dbraw/zinc/76/21/05/632762105.db2.gz GQBXKOMGJKCBAB-GOEBONIOSA-N 1 1 274.408 2.867 20 30 CFEDMO COc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C#N ZINC000846748134 632782902 /nfs/dbraw/zinc/78/29/02/632782902.db2.gz GOAPGFPFNFVUEF-GOOCMWNKSA-N 1 1 271.364 2.604 20 30 CFEDMO Cc1cc(C#N)ccc1NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000846751902 632785223 /nfs/dbraw/zinc/78/52/23/632785223.db2.gz PXVCMZQUOBZBEC-OAHLLOKOSA-N 1 1 287.407 2.780 20 30 CFEDMO Cc1cc(C#N)ccc1N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000846753752 632786435 /nfs/dbraw/zinc/78/64/35/632786435.db2.gz VDIKCWWKFOEGFH-TZMCWYRMSA-N 1 1 255.365 2.904 20 30 CFEDMO COc1cccc(/C=N/[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1O ZINC000846756231 632787800 /nfs/dbraw/zinc/78/78/00/632787800.db2.gz IBKRMPLOLBDJFQ-NLGCMCFESA-N 1 1 288.391 2.837 20 30 CFEDMO C=CCC(F)(F)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000818050038 632792565 /nfs/dbraw/zinc/79/25/65/632792565.db2.gz AZOVDNDOQIQWMU-UHFFFAOYSA-N 1 1 265.263 2.793 20 30 CFEDMO C#CCCCCCC(=O)N1CCC[N@H+](C)C[C@@H]1CC ZINC000846986169 632869025 /nfs/dbraw/zinc/86/90/25/632869025.db2.gz AHWFRISVVDAVCI-HNNXBMFYSA-N 1 1 264.413 2.513 20 30 CFEDMO CCc1ccc(C#CC(=O)N2CCC[N@H+](C)C[C@H]2CC)cc1 ZINC000846989813 632870335 /nfs/dbraw/zinc/87/03/35/632870335.db2.gz VTMREJAFKFQJPA-GOSISDBHSA-N 1 1 298.430 2.543 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000846993521 632872469 /nfs/dbraw/zinc/87/24/69/632872469.db2.gz NXJKQFGNYPYXRG-QWHCGFSZSA-N 1 1 252.745 2.655 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000846993522 632872802 /nfs/dbraw/zinc/87/28/02/632872802.db2.gz NXJKQFGNYPYXRG-STQMWFEESA-N 1 1 252.745 2.655 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)c1ccc(C(C)(C)C)s1 ZINC000818606255 632877386 /nfs/dbraw/zinc/87/73/86/632877386.db2.gz HKPZQJKJTSYUND-UHFFFAOYSA-N 1 1 292.448 2.731 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CCC(=O)c2ccc(OC)cc2)C1 ZINC000847020129 632884109 /nfs/dbraw/zinc/88/41/09/632884109.db2.gz WDEGOHHWBHYJAN-AWEZNQCLSA-N 1 1 271.360 2.613 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)c2cc(C)n(CC)c2C)C1 ZINC000847022213 632886735 /nfs/dbraw/zinc/88/67/35/632886735.db2.gz GCIUPAFYPQSCPY-OAHLLOKOSA-N 1 1 272.392 2.653 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)c2cc(C)n(CC)c2C)C1 ZINC000847022213 632886741 /nfs/dbraw/zinc/88/67/41/632886741.db2.gz GCIUPAFYPQSCPY-OAHLLOKOSA-N 1 1 272.392 2.653 20 30 CFEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000847022013 632886945 /nfs/dbraw/zinc/88/69/45/632886945.db2.gz DUPSRMVKWRWLEC-JKSUJKDBSA-N 1 1 284.403 2.976 20 30 CFEDMO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000847025530 632891140 /nfs/dbraw/zinc/89/11/40/632891140.db2.gz VXRSKIZMSKMPJD-KGLIPLIRSA-N 1 1 288.366 2.806 20 30 CFEDMO C#C[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(C)c(F)c2)C1 ZINC000847025530 632891146 /nfs/dbraw/zinc/89/11/46/632891146.db2.gz VXRSKIZMSKMPJD-KGLIPLIRSA-N 1 1 288.366 2.806 20 30 CFEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)C1 ZINC000847025691 632891469 /nfs/dbraw/zinc/89/14/69/632891469.db2.gz CVBFSPFCBHHYME-BRWVUGGUSA-N 1 1 298.430 2.640 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000847027577 632891992 /nfs/dbraw/zinc/89/19/92/632891992.db2.gz VAJUFUPJTHHKNS-LLVKDONJSA-N 1 1 258.296 2.812 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2nc3cc(F)ccc3o2)C1 ZINC000847027577 632891997 /nfs/dbraw/zinc/89/19/97/632891997.db2.gz VAJUFUPJTHHKNS-LLVKDONJSA-N 1 1 258.296 2.812 20 30 CFEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000847028596 632892574 /nfs/dbraw/zinc/89/25/74/632892574.db2.gz JHHFQMAVPZKMNA-XUWVNRHRSA-N 1 1 276.424 2.510 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC000847029289 632893685 /nfs/dbraw/zinc/89/36/85/632893685.db2.gz MIXFHQNCQBIZPA-MRXNPFEDSA-N 1 1 296.414 2.768 20 30 CFEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCCC[C@@H]2CC)C1 ZINC000847032498 632897053 /nfs/dbraw/zinc/89/70/53/632897053.db2.gz LIXWMOTVBWLWQT-OAGGEKHMSA-N 1 1 276.424 2.511 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000818954832 632914842 /nfs/dbraw/zinc/91/48/42/632914842.db2.gz XTYOZLRHYOEUGN-INIZCTEOSA-N 1 1 282.391 2.820 20 30 CFEDMO CCCC[C@H](ON=C(C)C)C(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000818971335 632918615 /nfs/dbraw/zinc/91/86/15/632918615.db2.gz OFOIPMDZQFYAQL-GJZGRUSLSA-N 1 1 297.443 2.510 20 30 CFEDMO CCCC[C@H](ON=C(C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000818971335 632918620 /nfs/dbraw/zinc/91/86/20/632918620.db2.gz OFOIPMDZQFYAQL-GJZGRUSLSA-N 1 1 297.443 2.510 20 30 CFEDMO Cc1ccc(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1C#N ZINC000847254377 632962700 /nfs/dbraw/zinc/96/27/00/632962700.db2.gz FHUYCKUZZGBGIR-IRXDYDNUSA-N 1 1 297.402 2.613 20 30 CFEDMO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1C#N ZINC000847254376 632963178 /nfs/dbraw/zinc/96/31/78/632963178.db2.gz FHUYCKUZZGBGIR-IAGOWNOFSA-N 1 1 297.402 2.613 20 30 CFEDMO C#CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)c1ccccc1 ZINC000819192063 633009187 /nfs/dbraw/zinc/00/91/87/633009187.db2.gz WZPGJBFBEMGEHD-ZBFHGGJFSA-N 1 1 251.333 2.784 20 30 CFEDMO CC1(C)C[C@@H](NN=C2CCC[N@H+]3CCCC[C@H]23)CCO1 ZINC000848408962 633251008 /nfs/dbraw/zinc/25/10/08/633251008.db2.gz HSKVHPBISPSVRR-DZGCQCFKSA-N 1 1 279.428 2.538 20 30 CFEDMO C=CCCC[N@H+](C)CN1C(=O)OC[C@H]1Cc1ccccc1 ZINC000848478285 633265255 /nfs/dbraw/zinc/26/52/55/633265255.db2.gz FOJNYWVRRLNIEU-MRXNPFEDSA-N 1 1 288.391 2.905 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](CN2C[C@H](CC(C)(C)C)OC2=O)C1 ZINC000848492908 633266166 /nfs/dbraw/zinc/26/61/66/633266166.db2.gz DFLOFAMPQRNRJR-KBPBESRZSA-N 1 1 278.396 2.546 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CN2C[C@H](CC(C)(C)C)OC2=O)C1 ZINC000848492908 633266169 /nfs/dbraw/zinc/26/61/69/633266169.db2.gz DFLOFAMPQRNRJR-KBPBESRZSA-N 1 1 278.396 2.546 20 30 CFEDMO COCCC1(c2noc([C@H]([NH3+])CCCCC#N)n2)CCC1 ZINC000848629795 633302856 /nfs/dbraw/zinc/30/28/56/633302856.db2.gz FWAAPZIIMJPVOJ-GFCCVEGCSA-N 1 1 292.383 2.612 20 30 CFEDMO Cc1ccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)nc1C ZINC000848630474 633303661 /nfs/dbraw/zinc/30/36/61/633303661.db2.gz MFSNVWGJHXRRJD-GFCCVEGCSA-N 1 1 285.351 2.832 20 30 CFEDMO Cc1cnc(-c2noc([C@H]([NH3+])CCCCC#N)n2)s1 ZINC000848631052 633304194 /nfs/dbraw/zinc/30/41/94/633304194.db2.gz WDORYRYARWBQHK-SECBINFHSA-N 1 1 277.353 2.585 20 30 CFEDMO Cc1occc1-c1noc([C@H]([NH3+])CCCCC#N)n1 ZINC000848632968 633304493 /nfs/dbraw/zinc/30/44/93/633304493.db2.gz YFPSDLHGAHCUCI-LLVKDONJSA-N 1 1 260.297 2.722 20 30 CFEDMO Cc1nsc(C)c1-c1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC000848631858 633305177 /nfs/dbraw/zinc/30/51/77/633305177.db2.gz KYGDMXPHGRPQEY-JTQLQIEISA-N 1 1 291.380 2.894 20 30 CFEDMO N#CC1(COC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000848775443 633341754 /nfs/dbraw/zinc/34/17/54/633341754.db2.gz BTBNTFHJNGGMIO-INIZCTEOSA-N 1 1 298.386 2.746 20 30 CFEDMO C=CC[NH+](CC=C)Cc1ccc(/C=C\C(=O)OC)o1 ZINC000848877036 633356878 /nfs/dbraw/zinc/35/68/78/633356878.db2.gz NYAPHEMIWJQVIZ-HJWRWDBZSA-N 1 1 261.321 2.640 20 30 CFEDMO C#CCOc1ccccc1C[NH+]1CC2(CC2(F)F)C1 ZINC000848922704 633404672 /nfs/dbraw/zinc/40/46/72/633404672.db2.gz YLXLCQKRBQRORU-UHFFFAOYSA-N 1 1 263.287 2.540 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000848923062 633404954 /nfs/dbraw/zinc/40/49/54/633404954.db2.gz DQQAABUPFDLIBP-CYBMUJFWSA-N 1 1 259.349 2.549 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000848923558 633405944 /nfs/dbraw/zinc/40/59/44/633405944.db2.gz GNMRBBQTZMTGEI-CYBMUJFWSA-N 1 1 285.416 2.994 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2c(C)nn(-c3ccccn3)c2C)C1 ZINC000848924080 633406325 /nfs/dbraw/zinc/40/63/25/633406325.db2.gz NDGDRDVBAQEXBO-MRXNPFEDSA-N 1 1 294.402 2.729 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)C1 ZINC000848923269 633406424 /nfs/dbraw/zinc/40/64/24/633406424.db2.gz HMFVGXVQZIRKAY-AWEZNQCLSA-N 1 1 271.360 2.693 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000848923383 633406868 /nfs/dbraw/zinc/40/68/68/633406868.db2.gz CWCFRIINWYUBQR-GXTWGEPZSA-N 1 1 276.405 2.840 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000848923383 633406872 /nfs/dbraw/zinc/40/68/72/633406872.db2.gz CWCFRIINWYUBQR-GXTWGEPZSA-N 1 1 276.405 2.840 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000848924463 633407005 /nfs/dbraw/zinc/40/70/05/633407005.db2.gz SUKLMQQYYWWTPJ-VIIAAUOXSA-N 1 1 270.332 2.953 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000848924539 633407746 /nfs/dbraw/zinc/40/77/46/633407746.db2.gz UYOVIIGAZFQXIO-LSDHHAIUSA-N 1 1 255.361 2.898 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000848924701 633407953 /nfs/dbraw/zinc/40/79/53/633407953.db2.gz YIJUZWPKYXACRG-GFCCVEGCSA-N 1 1 273.767 2.833 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cnc3ccc(Cl)cn23)C1 ZINC000848924701 633407957 /nfs/dbraw/zinc/40/79/57/633407957.db2.gz YIJUZWPKYXACRG-GFCCVEGCSA-N 1 1 273.767 2.833 20 30 CFEDMO CCCCCCCCNC(=[NH2+])NCCN1CCCCC1 ZINC000849053737 633481636 /nfs/dbraw/zinc/48/16/36/633481636.db2.gz DIHHXCPLFYPUDY-UHFFFAOYSA-N 1 1 282.476 2.947 20 30 CFEDMO C=CC[C@H]([NH2+]Cc1cc2n(n1)CCC2)c1ccncc1 ZINC000850137017 633852579 /nfs/dbraw/zinc/85/25/79/633852579.db2.gz IFXNNSZWMXHODZ-INIZCTEOSA-N 1 1 268.364 2.631 20 30 CFEDMO CCCn1nccc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000850160992 633864397 /nfs/dbraw/zinc/86/43/97/633864397.db2.gz BGJSRIGEMGMGIR-UHFFFAOYSA-N 1 1 272.327 2.594 20 30 CFEDMO Cc1[nH+]cc(CNc2ccccc2O[C@H](C)C#N)n1C ZINC000850241130 633908234 /nfs/dbraw/zinc/90/82/34/633908234.db2.gz UIAUQCWKCHZMMH-LLVKDONJSA-N 1 1 270.336 2.632 20 30 CFEDMO C#Cc1cccc(C[NH2+]Cc2nccn2C(C)C)c1 ZINC000850322335 633942287 /nfs/dbraw/zinc/94/22/87/633942287.db2.gz RNBGJNZPKIIAJR-UHFFFAOYSA-N 1 1 253.349 2.735 20 30 CFEDMO CCC[N@@H+]1CC[C@H](NCc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000850395282 633976236 /nfs/dbraw/zinc/97/62/36/633976236.db2.gz QMRGRJGMQJPJMA-HOCLYGCPSA-N 1 1 287.407 2.551 20 30 CFEDMO CCC[N@H+]1CC[C@H](NCc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000850395282 633976238 /nfs/dbraw/zinc/97/62/38/633976238.db2.gz QMRGRJGMQJPJMA-HOCLYGCPSA-N 1 1 287.407 2.551 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1nccn1C ZINC000850410354 633981841 /nfs/dbraw/zinc/98/18/41/633981841.db2.gz RZHCVQSCZZPGRK-QWHCGFSZSA-N 1 1 284.363 2.562 20 30 CFEDMO C[N@@H+](CCOc1ccc(C#N)cc1)Cc1ccccc1O ZINC000109768870 634233809 /nfs/dbraw/zinc/23/38/09/634233809.db2.gz GXVNXUJFKUMXRG-UHFFFAOYSA-N 1 1 282.343 2.775 20 30 CFEDMO C#Cc1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000853092749 634901723 /nfs/dbraw/zinc/90/17/23/634901723.db2.gz LIIWNFMMHAQYCJ-IBGZPJMESA-N 1 1 282.431 2.880 20 30 CFEDMO C#Cc1ccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000853092749 634901726 /nfs/dbraw/zinc/90/17/26/634901726.db2.gz LIIWNFMMHAQYCJ-IBGZPJMESA-N 1 1 282.431 2.880 20 30 CFEDMO C#Cc1cccnc1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000853094156 634902437 /nfs/dbraw/zinc/90/24/37/634902437.db2.gz ZKXPEHUZIZVSGX-AWEZNQCLSA-N 1 1 257.381 2.739 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccsc1Cl ZINC000853103104 634905654 /nfs/dbraw/zinc/90/56/54/634905654.db2.gz JLPUDJXFZFHXOY-SNVBAGLBSA-N 1 1 283.780 2.656 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ccsc1Cl ZINC000853103104 634905656 /nfs/dbraw/zinc/90/56/56/634905656.db2.gz JLPUDJXFZFHXOY-SNVBAGLBSA-N 1 1 283.780 2.656 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1oc(SC)cc1C ZINC000853104793 634906528 /nfs/dbraw/zinc/90/65/28/634906528.db2.gz YDVOREPPTJXVRU-GFCCVEGCSA-N 1 1 293.388 2.564 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1oc(SC)cc1C ZINC000853104793 634906531 /nfs/dbraw/zinc/90/65/31/634906531.db2.gz YDVOREPPTJXVRU-GFCCVEGCSA-N 1 1 293.388 2.564 20 30 CFEDMO CC(C)CC(N)=[NH+]OCCCOc1ccc(C#N)cc1 ZINC000111177068 634943785 /nfs/dbraw/zinc/94/37/85/634943785.db2.gz KZRHQNXRTNMAEK-UHFFFAOYSA-N 1 1 275.352 2.662 20 30 CFEDMO Cc1[nH+]c(C=NN2CCCC[C@@H]2C)c2ccccn12 ZINC000853381000 634988240 /nfs/dbraw/zinc/98/82/40/634988240.db2.gz UXBIZWXPOKCABH-LBPRGKRZSA-N 1 1 256.353 2.851 20 30 CFEDMO CC(=[NH+]N1CCCC[C@H]1C)c1cc([N+](=O)[O-])ccc1N ZINC000853381341 634988350 /nfs/dbraw/zinc/98/83/50/634988350.db2.gz ARLLQNPCYDYODO-SNVBAGLBSA-N 1 1 276.340 2.775 20 30 CFEDMO Cc1ccc(F)cc1N[NH2+]C1=CC(=O)N2CCCC[C@@H]12 ZINC000853393797 634991665 /nfs/dbraw/zinc/99/16/65/634991665.db2.gz QTUQYSVWOCIQKR-AWEZNQCLSA-N 1 1 275.327 2.687 20 30 CFEDMO CCOCCC[N@H+]1CCC(=NOCC2CCC2)[C@H](C)C1 ZINC000853440037 635000697 /nfs/dbraw/zinc/00/06/97/635000697.db2.gz WVDZFUGKJNVGHB-CQSZACIVSA-N 1 1 282.428 2.928 20 30 CFEDMO C#Cc1cccnc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000853455043 635004174 /nfs/dbraw/zinc/00/41/74/635004174.db2.gz PJLRZXFTZLUUMA-DOTOQJQBSA-N 1 1 281.403 2.516 20 30 CFEDMO C=C(C)C[N@H+](C)CN1CC[C@@H](C2CCCCC2)C1=O ZINC000853505855 635021738 /nfs/dbraw/zinc/02/17/38/635021738.db2.gz RSVCEUPZPGHDRI-HNNXBMFYSA-N 1 1 264.413 2.881 20 30 CFEDMO C=C(C)C[N@@H+](C)CN1CC[C@@H](C2CCCCC2)C1=O ZINC000853505855 635021744 /nfs/dbraw/zinc/02/17/44/635021744.db2.gz RSVCEUPZPGHDRI-HNNXBMFYSA-N 1 1 264.413 2.881 20 30 CFEDMO C=CC[N@@H+](Cc1cc2c(cc1O)CCC2)[C@H](C)COC ZINC000853533224 635029746 /nfs/dbraw/zinc/02/97/46/635029746.db2.gz YOAZYRHHNZIXMM-CYBMUJFWSA-N 1 1 275.392 2.904 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](CN2C(=O)C(C)(C)C2(C)C)C1 ZINC000853536387 635030556 /nfs/dbraw/zinc/03/05/56/635030556.db2.gz BOHMTCFRBURPTB-CYBMUJFWSA-N 1 1 264.413 2.879 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](CN2C[C@@H](CCC)CC2=O)C1 ZINC000853536464 635031084 /nfs/dbraw/zinc/03/10/84/635031084.db2.gz CSECWNCZYMHLGO-CABCVRRESA-N 1 1 264.413 2.881 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](CN2C(=O)C(C)(C)[C@@H]2C2CC2)C1 ZINC000853537185 635031784 /nfs/dbraw/zinc/03/17/84/635031784.db2.gz QSQSBPGNZLBFMQ-HIFRSBDPSA-N 1 1 276.424 2.879 20 30 CFEDMO C=CC[C@@H]1CCC[N@@H+](CN2C(=O)[C@@H](C3CC3)[C@H]2C2CC2)C1 ZINC000853536637 635032216 /nfs/dbraw/zinc/03/22/16/635032216.db2.gz GXZZZPCHRKOZTE-XOKHGSTOSA-N 1 1 288.435 2.879 20 30 CFEDMO N#Cc1cccn(C[N@@H+]2CC[C@H](C3CCCCC3)C2)c1=O ZINC000853554980 635036042 /nfs/dbraw/zinc/03/60/42/635036042.db2.gz RCGDZAAKSIQKJX-INIZCTEOSA-N 1 1 285.391 2.580 20 30 CFEDMO N#Cc1cccn(C[N@H+]2CC[C@H](C3CCCCC3)C2)c1=O ZINC000853554980 635036045 /nfs/dbraw/zinc/03/60/45/635036045.db2.gz RCGDZAAKSIQKJX-INIZCTEOSA-N 1 1 285.391 2.580 20 30 CFEDMO C[C@@]1(C#N)CC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000853599310 635046376 /nfs/dbraw/zinc/04/63/76/635046376.db2.gz NXRAPPWNMXSJMX-INIZCTEOSA-N 1 1 256.349 2.616 20 30 CFEDMO CC(C)[N@H+]1CCCC[C@H]1COc1ccc(F)nc1C#N ZINC000853702632 635079286 /nfs/dbraw/zinc/07/92/86/635079286.db2.gz KSHMIEURHXWFHJ-LBPRGKRZSA-N 1 1 277.343 2.734 20 30 CFEDMO C=C(CC)C[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854081041 635207189 /nfs/dbraw/zinc/20/71/89/635207189.db2.gz JZTFPPDAMKCTRG-UHFFFAOYSA-N 1 1 284.363 2.671 20 30 CFEDMO CCC#C[C@@H](C)[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854081290 635207520 /nfs/dbraw/zinc/20/75/20/635207520.db2.gz VDEQGAAWMNRURQ-CYBMUJFWSA-N 1 1 296.374 2.507 20 30 CFEDMO CCC#C[C@H](C)[NH+]1CC(C)(c2nnc(-c3cccnc3)o2)C1 ZINC000854081291 635208394 /nfs/dbraw/zinc/20/83/94/635208394.db2.gz VDEQGAAWMNRURQ-ZDUSSCGKSA-N 1 1 296.374 2.507 20 30 CFEDMO CC(C)C#CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000854252605 635273086 /nfs/dbraw/zinc/27/30/86/635273086.db2.gz GJJMOHMUZYZCGH-OAHLLOKOSA-N 1 1 292.810 2.718 20 30 CFEDMO Cc1cc(C)cc(CO[NH+]=C(N)C2CCOCC2)c1 ZINC000112086513 635280781 /nfs/dbraw/zinc/28/07/81/635280781.db2.gz DCBZYMLQOMJQPM-UHFFFAOYSA-N 1 1 262.353 2.519 20 30 CFEDMO C[N@H+]1CCC[C@H](c2cccc(C(=O)NCC(C)(C)C#N)c2)C1 ZINC000857176340 635940915 /nfs/dbraw/zinc/94/09/15/635940915.db2.gz UVLIOABLFYILJG-INIZCTEOSA-N 1 1 299.418 2.775 20 30 CFEDMO C=C(C)CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857185801 635943075 /nfs/dbraw/zinc/94/30/75/635943075.db2.gz ZSUJLFNBJKHVJR-INIZCTEOSA-N 1 1 272.392 2.802 20 30 CFEDMO C#C[C@H](C)N(C)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857195482 635943967 /nfs/dbraw/zinc/94/39/67/635943967.db2.gz WRNNLWAJESSFFB-WMLDXEAASA-N 1 1 284.403 2.590 20 30 CFEDMO C=C(C)CONC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857298346 635961864 /nfs/dbraw/zinc/96/18/64/635961864.db2.gz VHXBHYZMXZYEEC-INIZCTEOSA-N 1 1 288.391 2.733 20 30 CFEDMO Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)nc1 ZINC000858011627 636115356 /nfs/dbraw/zinc/11/53/56/636115356.db2.gz QDTKKOKHMFBTKN-KRWDZBQOSA-N 1 1 293.370 2.915 20 30 CFEDMO Cc1ccc(O[C@@H]2CC[N@@H+](CCC(C)(C)C#N)C2)nc1 ZINC000858040942 636117525 /nfs/dbraw/zinc/11/75/25/636117525.db2.gz GXDFLXCVBPDPES-CQSZACIVSA-N 1 1 273.380 2.783 20 30 CFEDMO N#CCCC[N@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045049 636119215 /nfs/dbraw/zinc/11/92/15/636119215.db2.gz YKMKCDXFBYRFAG-HNNXBMFYSA-N 1 1 271.364 2.716 20 30 CFEDMO CCCCCCCNC(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC000858111066 636129471 /nfs/dbraw/zinc/12/94/71/636129471.db2.gz RRCKSBGXAPRHBK-OAHLLOKOSA-N 1 1 283.460 2.988 20 30 CFEDMO C#CC[C@@H](COC)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000858336059 636197566 /nfs/dbraw/zinc/19/75/66/636197566.db2.gz TZBLFTITQMHFGQ-AWEZNQCLSA-N 1 1 286.400 2.938 20 30 CFEDMO CCCC[N@@H+](CCO)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000159091920 650246650 /nfs/dbraw/zinc/24/66/50/650246650.db2.gz QTNVHRRMSTYKGS-CQSZACIVSA-N 1 1 276.380 2.572 20 30 CFEDMO C#CC[N@H+](CCCCC(=O)OC)Cc1ccc(F)cc1 ZINC000859093151 636450941 /nfs/dbraw/zinc/45/09/41/636450941.db2.gz KJAAZFZDNNRJAJ-UHFFFAOYSA-N 1 1 277.339 2.604 20 30 CFEDMO C#CC[C@H]([NH2+]Cc1cc(Cl)n(C)n1)c1ccccc1 ZINC000859233579 636518059 /nfs/dbraw/zinc/51/80/59/636518059.db2.gz TUTYIQRZGHUCBZ-AWEZNQCLSA-N 1 1 273.767 2.928 20 30 CFEDMO C#CCCC[N@@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000859381721 636548208 /nfs/dbraw/zinc/54/82/08/636548208.db2.gz VIERQFOQEFYOAY-OAHLLOKOSA-N 1 1 251.370 2.596 20 30 CFEDMO C=CC[C@H]1CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000859446055 636565807 /nfs/dbraw/zinc/56/58/07/636565807.db2.gz TXUXCASOYRSLPJ-WFASDCNBSA-N 1 1 276.336 2.526 20 30 CFEDMO C=CC[C@H]1CC[N@@H+](CC2CCC3(CC2)OCCO3)C1 ZINC000859445750 636566058 /nfs/dbraw/zinc/56/60/58/636566058.db2.gz OLALPFDIMXXZAI-AWEZNQCLSA-N 1 1 265.397 2.818 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000859445553 636566104 /nfs/dbraw/zinc/56/61/04/636566104.db2.gz KVDYMEFSQFMLPD-CYBMUJFWSA-N 1 1 268.401 2.799 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859928427 636743874 /nfs/dbraw/zinc/74/38/74/636743874.db2.gz JGNVTJXHBLBOHX-BSWAZPDLSA-N 1 1 270.376 2.651 20 30 CFEDMO CCc1[nH+]ccn1CCCOc1ccc(C#N)cc1 ZINC000048821969 650280462 /nfs/dbraw/zinc/28/04/62/650280462.db2.gz AKTKCFAISLOANV-UHFFFAOYSA-N 1 1 255.321 2.786 20 30 CFEDMO C=CCCC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000117094086 636754368 /nfs/dbraw/zinc/75/43/68/636754368.db2.gz DRNSIZHLUBWCHN-OAHLLOKOSA-N 1 1 259.349 2.770 20 30 CFEDMO C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000860095104 636784905 /nfs/dbraw/zinc/78/49/05/636784905.db2.gz CMVROLQQYNHOEO-LBPRGKRZSA-N 1 1 256.390 2.798 20 30 CFEDMO C[C@@H](C[N@@H+](C)CCCCC#N)NC(=O)OC(C)(C)C ZINC000860097766 636785132 /nfs/dbraw/zinc/78/51/32/636785132.db2.gz JBDVCOLAAFTYOM-LBPRGKRZSA-N 1 1 269.389 2.525 20 30 CFEDMO C#CCOCC[N@H+]([C@H](C)COC)[C@@H]1CCc2ccccc21 ZINC000860111723 636790616 /nfs/dbraw/zinc/79/06/16/636790616.db2.gz PPCFKLZOCUQFLQ-CRAIPNDOSA-N 1 1 287.403 2.661 20 30 CFEDMO C[C@H](C#N)OC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000860426310 636879484 /nfs/dbraw/zinc/87/94/84/636879484.db2.gz VZVICOAPNUEZLB-GDBMZVCRSA-N 1 1 298.386 2.744 20 30 CFEDMO C=CCC1(C(=O)OC[C@@]2(C)C[C@@H](OC)C[N@H+]2C)CCCC1 ZINC000861353747 637172557 /nfs/dbraw/zinc/17/25/57/637172557.db2.gz PYSMFCIZLBGKBK-GDBMZVCRSA-N 1 1 295.423 2.775 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C)cc2Cl)C1 ZINC001015737354 651210771 /nfs/dbraw/zinc/21/07/71/651210771.db2.gz HHJPWTHJLIONNH-GFCCVEGCSA-N 1 1 278.783 2.639 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000862439976 637379440 /nfs/dbraw/zinc/37/94/40/637379440.db2.gz CRRPJBDOXRRHMK-LLVKDONJSA-N 1 1 292.335 2.707 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000862439976 637379441 /nfs/dbraw/zinc/37/94/41/637379441.db2.gz CRRPJBDOXRRHMK-LLVKDONJSA-N 1 1 292.335 2.707 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000862439976 637379442 /nfs/dbraw/zinc/37/94/42/637379442.db2.gz CRRPJBDOXRRHMK-LLVKDONJSA-N 1 1 292.335 2.707 20 30 CFEDMO C=CC[C@H]1CC[N@@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000862440256 637380465 /nfs/dbraw/zinc/38/04/65/637380465.db2.gz HBKNFDGRFMQUHQ-VIFPVBQESA-N 1 1 259.275 2.827 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000862440256 637380474 /nfs/dbraw/zinc/38/04/74/637380474.db2.gz HBKNFDGRFMQUHQ-VIFPVBQESA-N 1 1 259.275 2.827 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC000862442771 637381770 /nfs/dbraw/zinc/38/17/70/637381770.db2.gz HNMCQNIYGKTHIB-CYBMUJFWSA-N 1 1 289.375 2.558 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862444200 637383664 /nfs/dbraw/zinc/38/36/64/637383664.db2.gz ZGXRTSJYMBJSSX-TXEJJXNPSA-N 1 1 261.752 2.804 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000862444110 637383778 /nfs/dbraw/zinc/38/37/78/637383778.db2.gz XVMONJNERUGFJJ-ZDUSSCGKSA-N 1 1 259.349 2.549 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000862444469 637385775 /nfs/dbraw/zinc/38/57/75/637385775.db2.gz AQUHSGMCLCBXGH-LSDHHAIUSA-N 1 1 255.361 2.898 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000862447055 637386855 /nfs/dbraw/zinc/38/68/55/637386855.db2.gz HOFZLORTKHRUOV-LBPRGKRZSA-N 1 1 291.778 2.972 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(Br)cc2O)C1 ZINC000862446570 637387662 /nfs/dbraw/zinc/38/76/62/637387662.db2.gz ARLDFBXZVGPZGE-NSHDSACASA-N 1 1 294.192 3.000 20 30 CFEDMO C=CC[C@H]1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000862546073 637418357 /nfs/dbraw/zinc/41/83/57/637418357.db2.gz GUANHXSJRDSYOA-XJKSGUPXSA-N 1 1 282.403 2.624 20 30 CFEDMO C#CC[C@H](COC)NC1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000862548626 637421117 /nfs/dbraw/zinc/42/11/17/637421117.db2.gz JLPBDJHXHPFQAL-NXHRZFHOSA-N 1 1 292.467 2.657 20 30 CFEDMO C#CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000862568259 637434857 /nfs/dbraw/zinc/43/48/57/637434857.db2.gz ABAIMFDMHMNFDW-HOTGVXAUSA-N 1 1 288.435 2.513 20 30 CFEDMO CN(C)c1cc(F)c(C=[NH+]NC2CCCC2)cc1F ZINC000863088787 637552820 /nfs/dbraw/zinc/55/28/20/637552820.db2.gz APXHCEXAZXZNIT-UHFFFAOYSA-N 1 1 267.323 2.897 20 30 CFEDMO C[C@H]1CC(N=Nc2cccc(F)c2Cl)C[N@H+]1C ZINC000863158499 637573275 /nfs/dbraw/zinc/57/32/75/637573275.db2.gz DNRCVGMPBKXHRT-QMMMGPOBSA-N 1 1 255.724 2.971 20 30 CFEDMO CC(=[NH+]n1cccn1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000863163831 637576513 /nfs/dbraw/zinc/57/65/13/637576513.db2.gz QFEZJDJYORUNOZ-LBPRGKRZSA-N 1 1 278.356 2.507 20 30 CFEDMO CC(C)(C=[NH+]n1cccn1)[C@@H](C[N+](=O)[O-])c1ccccc1 ZINC000863164906 637577825 /nfs/dbraw/zinc/57/78/25/637577825.db2.gz WSRAORSAYVSKBX-AWEZNQCLSA-N 1 1 286.335 2.804 20 30 CFEDMO N#Cc1cccc(CO[NH+]=C(N)CCC(F)(F)F)c1 ZINC000863489187 637676318 /nfs/dbraw/zinc/67/63/18/637676318.db2.gz AXASMVDZWKLHNO-UHFFFAOYSA-N 1 1 271.242 2.899 20 30 CFEDMO CC(C)(C#N)CCO[NH+]=C(N)CCC(F)(F)F ZINC000863490140 637677124 /nfs/dbraw/zinc/67/71/24/637677124.db2.gz HDAZFPFVJSYJSF-UHFFFAOYSA-N 1 1 251.252 2.767 20 30 CFEDMO COc1cccc(/C=N/C[C@H]2CC[N@H+]2C2CCCC2)c1O ZINC000864345779 637947106 /nfs/dbraw/zinc/94/71/06/637947106.db2.gz FYCDTDKDWXXUAK-CLXYIWAZSA-N 1 1 288.391 2.837 20 30 CFEDMO CC#Cc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)nc1 ZINC000864541080 638019453 /nfs/dbraw/zinc/01/94/53/638019453.db2.gz BELFXSPTHCVYIY-UHFFFAOYSA-N 1 1 292.382 2.952 20 30 CFEDMO CCCC(N)=[NH+]OCc1csc([C@@H](C)OCC)n1 ZINC000076697346 650398070 /nfs/dbraw/zinc/39/80/70/650398070.db2.gz IMNZIFYOMCUQKN-SECBINFHSA-N 1 1 271.386 2.830 20 30 CFEDMO CC[N@H+]1CCC[C@@H]1CNc1cc(F)c(C#N)cc1[N+](=O)[O-] ZINC000865404163 638313673 /nfs/dbraw/zinc/31/36/73/638313673.db2.gz DTOXQCGIDRADMH-LLVKDONJSA-N 1 1 292.314 2.502 20 30 CFEDMO C=C(Br)C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865451250 638343317 /nfs/dbraw/zinc/34/33/17/638343317.db2.gz ZZWAVVOCGPXXSU-UHFFFAOYSA-N 1 1 294.196 2.622 20 30 CFEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cn(C2CC2)cn1 ZINC000865547303 638413129 /nfs/dbraw/zinc/41/31/29/638413129.db2.gz SUHJQYMLSLJAKD-QGZVFWFLSA-N 1 1 278.359 2.867 20 30 CFEDMO C#Cc1ccc(C[NH2+]Cc2nn(C)cc2C(F)F)cc1 ZINC000865806794 638583488 /nfs/dbraw/zinc/58/34/88/638583488.db2.gz DLCNAYYBHSVQPE-UHFFFAOYSA-N 1 1 275.302 2.629 20 30 CFEDMO COc1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1C#N ZINC000865858418 638619396 /nfs/dbraw/zinc/61/93/96/638619396.db2.gz BONYBNAVSQHCEO-AWEZNQCLSA-N 1 1 273.380 2.852 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@@H]1CNc1cccc(C#N)n1 ZINC000866194802 638767108 /nfs/dbraw/zinc/76/71/08/638767108.db2.gz KFZJMACYMGCLIS-HNNXBMFYSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@@H]1CNc1cccc(C#N)n1 ZINC000866194802 638767110 /nfs/dbraw/zinc/76/71/10/638767110.db2.gz KFZJMACYMGCLIS-HNNXBMFYSA-N 1 1 264.332 2.552 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3c(C#N)cnc4ccccc43)CC[C@H]21 ZINC000866204893 638769954 /nfs/dbraw/zinc/76/99/54/638769954.db2.gz HKGILXSOGLKMFB-SUMWQHHRSA-N 1 1 292.386 2.637 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3ccc4cc(C#N)ccc4n3)CC[C@@H]21 ZINC000866205203 638769989 /nfs/dbraw/zinc/76/99/89/638769989.db2.gz KAHOKLKFDMTHOL-WBVHZDCISA-N 1 1 292.386 2.637 20 30 CFEDMO Cc1noc(C)c1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866242621 638778535 /nfs/dbraw/zinc/77/85/35/638778535.db2.gz OCTGFQGKCYFGCJ-SECBINFHSA-N 1 1 271.320 2.720 20 30 CFEDMO Cc1noc(C)c1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866242625 638778665 /nfs/dbraw/zinc/77/86/65/638778665.db2.gz OCTGFQGKCYFGCJ-VIFPVBQESA-N 1 1 271.320 2.720 20 30 CFEDMO Cc1ncc(C[NH2+][C@@H](C)c2cccc(C#N)c2O)s1 ZINC000866259001 638782026 /nfs/dbraw/zinc/78/20/26/638782026.db2.gz FEVXQFBDMBJVRA-VIFPVBQESA-N 1 1 273.361 2.880 20 30 CFEDMO CC(C)(CC#N)C[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866372348 638807863 /nfs/dbraw/zinc/80/78/63/638807863.db2.gz PPBDMTXLLYDWPJ-JSGCOSHPSA-N 1 1 262.328 2.988 20 30 CFEDMO C=CCC[C@H](N[C@H]1CC[N@@H+](CC(C)(C)O)C1)c1ccco1 ZINC000866412678 638817134 /nfs/dbraw/zinc/81/71/34/638817134.db2.gz LVKARHVVRPTYBC-GJZGRUSLSA-N 1 1 292.423 2.722 20 30 CFEDMO C=CCC[C@H](N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccco1 ZINC000866412678 638817137 /nfs/dbraw/zinc/81/71/37/638817137.db2.gz LVKARHVVRPTYBC-GJZGRUSLSA-N 1 1 292.423 2.722 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000866586028 638849672 /nfs/dbraw/zinc/84/96/72/638849672.db2.gz ZKWGGAUWABIHRR-KBRIMQKVSA-N 1 1 269.392 2.645 20 30 CFEDMO C=CC[N@@H+](C)CC(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000121189860 638867035 /nfs/dbraw/zinc/86/70/35/638867035.db2.gz GCVOBUVHFZMHRK-UHFFFAOYSA-N 1 1 289.423 2.978 20 30 CFEDMO C=CC[N@H+](C)CC(=O)Nc1ccc(N(CC)C(C)C)cc1 ZINC000121189860 638867040 /nfs/dbraw/zinc/86/70/40/638867040.db2.gz GCVOBUVHFZMHRK-UHFFFAOYSA-N 1 1 289.423 2.978 20 30 CFEDMO C=C(Br)C[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000190956238 650471385 /nfs/dbraw/zinc/47/13/85/650471385.db2.gz OTLFJZHIXZPRIH-UHFFFAOYSA-N 1 1 298.228 2.924 20 30 CFEDMO C#CCCCC(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000191416078 650498707 /nfs/dbraw/zinc/49/87/07/650498707.db2.gz ZTBCNKVWRSBLOR-KRWDZBQOSA-N 1 1 285.387 2.998 20 30 CFEDMO Cc1cc(C)c(COC(=O)c2coc(C#N)c2)c(C)[nH+]1 ZINC000870007218 639495696 /nfs/dbraw/zinc/49/56/96/639495696.db2.gz KSORWEGSMKRHJS-UHFFFAOYSA-N 1 1 270.288 2.829 20 30 CFEDMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CC2(C#N)CC2)CC1 ZINC000870122837 639522153 /nfs/dbraw/zinc/52/21/53/639522153.db2.gz ZGILBCRNJYLAPU-OAHLLOKOSA-N 1 1 297.402 2.586 20 30 CFEDMO C=CCCC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000870125745 639523031 /nfs/dbraw/zinc/52/30/31/639523031.db2.gz PZLJFVXUEJFYHR-HNNXBMFYSA-N 1 1 272.392 2.858 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cscc1Cl ZINC000870194293 639541380 /nfs/dbraw/zinc/54/13/80/639541380.db2.gz GZDZVXXFIGNSTE-JTQLQIEISA-N 1 1 283.780 2.656 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cscc1Cl ZINC000870194293 639541384 /nfs/dbraw/zinc/54/13/84/639541384.db2.gz GZDZVXXFIGNSTE-JTQLQIEISA-N 1 1 283.780 2.656 20 30 CFEDMO CCCC(N)=[NH+]OCc1ccn(-c2ccc(F)cc2F)n1 ZINC000192187344 650547391 /nfs/dbraw/zinc/54/73/91/650547391.db2.gz NPONMJBJYQISBG-UHFFFAOYSA-N 1 1 294.305 2.739 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C(C)(C)C ZINC001017665069 651255476 /nfs/dbraw/zinc/25/54/76/651255476.db2.gz MLEWOTDGQYKIPQ-KFWWJZLASA-N 1 1 278.440 2.920 20 30 CFEDMO CC(C)(C)N1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000192971905 650613115 /nfs/dbraw/zinc/61/31/15/650613115.db2.gz PRLMRWMEBJVAQP-DZGCQCFKSA-N 1 1 263.429 2.921 20 30 CFEDMO C#CC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCc2ccccc21 ZINC000079997263 650635045 /nfs/dbraw/zinc/63/50/45/650635045.db2.gz JOTFNZQBLYLBQH-NVXWUHKLSA-N 1 1 255.361 2.788 20 30 CFEDMO CCC[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 ZINC000123545984 641262490 /nfs/dbraw/zinc/26/24/90/641262490.db2.gz AKJGZQIVBNYZON-OAHLLOKOSA-N 1 1 287.407 2.972 20 30 CFEDMO C=CCCCCC[N@@H+]1CCCN(C(=O)OCC)CC1 ZINC000193323095 650644364 /nfs/dbraw/zinc/64/43/64/650644364.db2.gz JXFNMRLHACJXOY-UHFFFAOYSA-N 1 1 268.401 2.897 20 30 CFEDMO C[C@H](CC#N)C(=O)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC000888576086 641323758 /nfs/dbraw/zinc/32/37/58/641323758.db2.gz JJFIXBGEOSXGJM-GFCCVEGCSA-N 1 1 272.352 2.560 20 30 CFEDMO CC[C@H]1COCC[N@@H+]1CC/N=C/c1cc(Cl)ccc1O ZINC000871597177 641362932 /nfs/dbraw/zinc/36/29/32/641362932.db2.gz LJPXTFDLAQYGPQ-FBJMNJBLSA-N 1 1 296.798 2.575 20 30 CFEDMO CC[C@H]1COCC[N@H+]1CC/N=C/c1cc(Cl)ccc1O ZINC000871597177 641362941 /nfs/dbraw/zinc/36/29/41/641362941.db2.gz LJPXTFDLAQYGPQ-FBJMNJBLSA-N 1 1 296.798 2.575 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CCc2ccccc2)no1 ZINC000871779640 641452114 /nfs/dbraw/zinc/45/21/14/641452114.db2.gz OJNGPXTXJSSCKF-LBPRGKRZSA-N 1 1 277.755 2.997 20 30 CFEDMO NC(CCc1ccccc1)=[NH+]OCc1cccnc1 ZINC000193590761 650671463 /nfs/dbraw/zinc/67/14/63/650671463.db2.gz ZAVPQCSBWOREKO-UHFFFAOYSA-N 1 1 255.321 2.503 20 30 CFEDMO Cc1nonc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000872137781 641665985 /nfs/dbraw/zinc/66/59/85/641665985.db2.gz WOWYUSAVNVXYAF-HNNXBMFYSA-N 1 1 282.347 2.807 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(Cc2ccccc2OC)no1 ZINC000872172833 641692138 /nfs/dbraw/zinc/69/21/38/641692138.db2.gz MIXYDNNWLSYTSV-NSHDSACASA-N 1 1 293.754 2.811 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(Cc2ccc(C)nc2)no1 ZINC000872174543 641692920 /nfs/dbraw/zinc/69/29/20/641692920.db2.gz BATKMJWEIIYPPR-LLVKDONJSA-N 1 1 278.743 2.506 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cccnc2OCC)no1 ZINC000872176365 641694512 /nfs/dbraw/zinc/69/45/12/641694512.db2.gz PXHCKSZKVBSWCH-SNVBAGLBSA-N 1 1 294.742 2.673 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2ccc(C)o2)no1 ZINC000872179673 641695478 /nfs/dbraw/zinc/69/54/78/641695478.db2.gz IIDGCPFTURZAFH-QMMMGPOBSA-N 1 1 253.689 2.780 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@@H](CCC)OC)no1 ZINC000872183002 641696913 /nfs/dbraw/zinc/69/69/13/641696913.db2.gz XQDSXMSBDFYLHN-DTWKUNHWSA-N 1 1 259.737 2.700 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(C2(CCOC)CCC2)no1 ZINC000872183884 641696958 /nfs/dbraw/zinc/69/69/58/641696958.db2.gz ORHTYSKHMCRFQO-SNVBAGLBSA-N 1 1 285.775 2.670 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000872261265 641724738 /nfs/dbraw/zinc/72/47/38/641724738.db2.gz BWBVIUUPORPPMU-BBWFWOEESA-N 1 1 284.403 2.848 20 30 CFEDMO CN1CC[N@@H+](CC(C)(C)CCC#N)Cc2cccnc21 ZINC000872265676 641726082 /nfs/dbraw/zinc/72/60/82/641726082.db2.gz VDVDXZTWIZZINJ-UHFFFAOYSA-N 1 1 272.396 2.663 20 30 CFEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872274752 641733882 /nfs/dbraw/zinc/73/38/82/641733882.db2.gz BLCOXMSLPMJJQT-HOCLYGCPSA-N 1 1 275.396 2.854 20 30 CFEDMO CCCC(=NNc1cc[nH+]cc1)c1cc(C)ccn1 ZINC000872363714 641770222 /nfs/dbraw/zinc/77/02/22/641770222.db2.gz NWBMYZWQJPOWMB-UHFFFAOYSA-N 1 1 254.337 2.823 20 30 CFEDMO CC(C)c1c(Cl)ncnc1N=NC1CC[N@@H+](C)[C@H]1C ZINC000872371174 641776719 /nfs/dbraw/zinc/77/67/19/641776719.db2.gz IESYVIPFSNPWFB-VIFPVBQESA-N 1 1 281.791 2.745 20 30 CFEDMO Clc1ccc(N=NC2CCC[N@@H+]3CCSC[C@H]23)nc1 ZINC000872391262 641787858 /nfs/dbraw/zinc/78/78/58/641787858.db2.gz XOCAUNRJAWRTGT-GFCCVEGCSA-N 1 1 296.827 2.714 20 30 CFEDMO Clc1ccc(N=NC2CCC[N@H+]3CCSC[C@H]23)nc1 ZINC000872391262 641787862 /nfs/dbraw/zinc/78/78/62/641787862.db2.gz XOCAUNRJAWRTGT-GFCCVEGCSA-N 1 1 296.827 2.714 20 30 CFEDMO CCN(C)c1ccc(C=[NH+]NC[C@@H]2CCCC2(F)F)cn1 ZINC000872404750 641794083 /nfs/dbraw/zinc/79/40/83/641794083.db2.gz DEMXNXMOQQDDOH-ZDUSSCGKSA-N 1 1 296.365 2.897 20 30 CFEDMO C[C@H]1CC(=NNCc2ccc3ccccc3n2)CC[N@H+]1C ZINC000872408735 641798045 /nfs/dbraw/zinc/79/80/45/641798045.db2.gz IBKSUILBUQBZOA-ZDUSSCGKSA-N 1 1 282.391 2.795 20 30 CFEDMO C=CCCC[N@H+](C)CN1C[C@@](C)(c2ccccc2F)C1=O ZINC000872580234 641864092 /nfs/dbraw/zinc/86/40/92/641864092.db2.gz PVIZYDACCRWHAX-KRWDZBQOSA-N 1 1 290.382 2.781 20 30 CFEDMO C[N@H+](Cn1cnc2cc(F)c(F)cc21)[C@@H]1CCC[C@H]1C#N ZINC000872682077 641895164 /nfs/dbraw/zinc/89/51/64/641895164.db2.gz MBAPKQPYRCQDFW-IINYFYTJSA-N 1 1 290.317 2.896 20 30 CFEDMO C[N@@H+](Cn1cnc2cc(F)c(F)cc21)[C@@H]1CCC[C@H]1C#N ZINC000872682077 641895170 /nfs/dbraw/zinc/89/51/70/641895170.db2.gz MBAPKQPYRCQDFW-IINYFYTJSA-N 1 1 290.317 2.896 20 30 CFEDMO C[N@H+](CCc1cccc(C#N)c1)CN1C(=O)C(C)(C)C1(C)C ZINC000872705965 641905980 /nfs/dbraw/zinc/90/59/80/641905980.db2.gz KULJXOUDGYPOQI-UHFFFAOYSA-N 1 1 299.418 2.637 20 30 CFEDMO C[N@@H+](CCc1cccc(C#N)c1)CN1C(=O)C(C)(C)C1(C)C ZINC000872705965 641905982 /nfs/dbraw/zinc/90/59/82/641905982.db2.gz KULJXOUDGYPOQI-UHFFFAOYSA-N 1 1 299.418 2.637 20 30 CFEDMO CCCCCCCCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000194708239 650725824 /nfs/dbraw/zinc/72/58/24/650725824.db2.gz JVIKVHHZSWCETQ-AWEZNQCLSA-N 1 1 254.418 2.947 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1sccc1C(F)F ZINC000873501423 642224640 /nfs/dbraw/zinc/22/46/40/642224640.db2.gz FLDCHNUMPKBNMC-SNVBAGLBSA-N 1 1 299.342 2.940 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1sccc1C(F)F ZINC000873501423 642224647 /nfs/dbraw/zinc/22/46/47/642224647.db2.gz FLDCHNUMPKBNMC-SNVBAGLBSA-N 1 1 299.342 2.940 20 30 CFEDMO C=CCN(C(=O)C[N@@H+](C)CCc1ccccc1)C(C)C ZINC000874352108 642371687 /nfs/dbraw/zinc/37/16/87/642371687.db2.gz ROMWFZBMLKMBEW-UHFFFAOYSA-N 1 1 274.408 2.584 20 30 CFEDMO C=C(Br)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000125151771 642470433 /nfs/dbraw/zinc/47/04/33/642470433.db2.gz TXVUTWOGWVAUPT-VIFPVBQESA-N 1 1 284.153 2.975 20 30 CFEDMO C#CCC1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CCCCC1 ZINC000874830788 642514419 /nfs/dbraw/zinc/51/44/19/642514419.db2.gz UENBOGJHJWBDLU-HZPDHXFCSA-N 1 1 288.435 2.655 20 30 CFEDMO Cc1c[nH+]cn1CC(=O)Oc1cc(C)c(C#N)c(C)c1C ZINC000875711627 642673091 /nfs/dbraw/zinc/67/30/91/642673091.db2.gz XXVNVQRFRWJRPO-UHFFFAOYSA-N 1 1 283.331 2.594 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)Cc1cccn(C(F)F)c1=O ZINC000876528878 642905762 /nfs/dbraw/zinc/90/57/62/642905762.db2.gz BAWMZQNCHOYTFY-UHFFFAOYSA-N 1 1 283.322 2.615 20 30 CFEDMO CN(C)c1ccc(C#N)cc1C[N@@H+](C)C1CCCC1 ZINC000876553279 642918797 /nfs/dbraw/zinc/91/87/97/642918797.db2.gz MQUQNWUUCACGMP-UHFFFAOYSA-N 1 1 257.381 2.999 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000876566139 642926385 /nfs/dbraw/zinc/92/63/85/642926385.db2.gz ZTAYPDWOKUQMPZ-AWEZNQCLSA-N 1 1 295.427 2.869 20 30 CFEDMO C#CC[N@H+](Cc1ccc(Cl)nn1)C1CCCCC1 ZINC000876642717 642955229 /nfs/dbraw/zinc/95/52/29/642955229.db2.gz KJKOATRPBKRWOF-UHFFFAOYSA-N 1 1 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C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033926471 780824157 /nfs/dbraw/zinc/82/41/57/780824157.db2.gz CUUUTYIXOMCEFA-JKSUJKDBSA-N 1 1 290.451 2.759 20 30 CFEDMO CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCCC2(C)C)C1 ZINC001033926987 780828240 /nfs/dbraw/zinc/82/82/40/780828240.db2.gz HQXSJPHNLMTOLX-JKSUJKDBSA-N 1 1 290.451 2.759 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2coc(C(F)F)c2)C1 ZINC001033933748 780830565 /nfs/dbraw/zinc/83/05/65/780830565.db2.gz JNXKXHWHDKARFU-LBPRGKRZSA-N 1 1 298.333 2.940 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccccc2CC)C1 ZINC001033944827 780839759 /nfs/dbraw/zinc/83/97/59/780839759.db2.gz YTMDFRNFNNKLRQ-MRXNPFEDSA-N 1 1 286.419 2.971 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC23CC3)C1 ZINC001033975947 780845005 /nfs/dbraw/zinc/84/50/05/780845005.db2.gz QRYQUQXFQUFRJR-LSDHHAIUSA-N 1 1 276.424 2.676 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3cc[nH]c3c2)C1 ZINC001033975008 780846037 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C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cncc(C)c2)C1 ZINC001034144597 780906639 /nfs/dbraw/zinc/90/66/39/780906639.db2.gz AYUDCTVQQHUIAA-INIZCTEOSA-N 1 1 287.407 2.550 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@@H](NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)C1 ZINC001034147989 780907629 /nfs/dbraw/zinc/90/76/29/780907629.db2.gz YOBPWWFWDALCEV-NCOADZHNSA-N 1 1 290.451 2.969 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001034152901 780909248 /nfs/dbraw/zinc/90/92/48/780909248.db2.gz ASZPAGRAMZSJSA-ZDUSSCGKSA-N 1 1 286.366 2.579 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001034167780 780913464 /nfs/dbraw/zinc/91/34/64/780913464.db2.gz OJNSRJLAPDAQCH-UONOGXRCSA-N 1 1 264.413 2.579 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)c2cc(C)c(C)o2)C1 ZINC001034166421 780914242 /nfs/dbraw/zinc/91/42/42/780914242.db2.gz TYIFCSDHOFHZFQ-HNNXBMFYSA-N 1 1 288.391 2.504 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001034172313 780915714 /nfs/dbraw/zinc/91/57/14/780915714.db2.gz 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780935769 /nfs/dbraw/zinc/93/57/69/780935769.db2.gz KDWKKEMYKIUYOD-GOEBONIOSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2nc(C)sc2C)C1 ZINC001034269317 780936741 /nfs/dbraw/zinc/93/67/41/780936741.db2.gz RJMZJOHXRKVEOO-CYBMUJFWSA-N 1 1 293.436 2.530 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC23CC3)C1 ZINC001034271928 780937111 /nfs/dbraw/zinc/93/71/11/780937111.db2.gz KDVODODWQGVVOK-CABCVRRESA-N 1 1 276.424 2.723 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001034298216 780940846 /nfs/dbraw/zinc/94/08/46/780940846.db2.gz LIXIBLIMMWQFDL-HNNXBMFYSA-N 1 1 290.407 2.975 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)Cc2ccc(C)cc2)C1 ZINC001034297804 780941161 /nfs/dbraw/zinc/94/11/61/780941161.db2.gz SBEXBMFYTRIXPW-SFHVURJKSA-N 1 1 298.430 2.532 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001034307955 780943628 /nfs/dbraw/zinc/94/36/28/780943628.db2.gz PPEHKVPEVAOKLK-SNVBAGLBSA-N 1 1 299.827 2.567 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ncc(Cl)s2)C1 ZINC001034307955 780943631 /nfs/dbraw/zinc/94/36/31/780943631.db2.gz PPEHKVPEVAOKLK-SNVBAGLBSA-N 1 1 299.827 2.567 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)C[C@@H]2C[C@H]2C2CC2)C1 ZINC001034322364 780946473 /nfs/dbraw/zinc/94/64/73/780946473.db2.gz BNNXLEPMEGSDQK-ULQDDVLXSA-N 1 1 290.451 2.969 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001034359173 780951395 /nfs/dbraw/zinc/95/13/95/780951395.db2.gz VMWQSKKNJPMIJX-CBBWQLFWSA-N 1 1 296.842 2.756 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001034359173 780951397 /nfs/dbraw/zinc/95/13/97/780951397.db2.gz VMWQSKKNJPMIJX-CBBWQLFWSA-N 1 1 296.842 2.756 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cccnc2C)C1 ZINC001034373095 780956591 /nfs/dbraw/zinc/95/65/91/780956591.db2.gz QFKDUBUGJAWOAZ-HNNXBMFYSA-N 1 1 287.407 2.550 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)[C@@H]2Cc3ccccc32)C1 ZINC001034374309 780956684 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C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001034425261 780967878 /nfs/dbraw/zinc/96/78/78/780967878.db2.gz PKZKMAMTNYEYCN-HUUCEWRRSA-N 1 1 276.424 2.723 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](F)c2ccccc2)C1 ZINC001034424526 780968263 /nfs/dbraw/zinc/96/82/63/780968263.db2.gz NDWGTAOWFOBPTC-CVEARBPZSA-N 1 1 290.382 2.854 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001034413141 780970555 /nfs/dbraw/zinc/97/05/55/780970555.db2.gz HNQBPLJFQBDMIG-LSDHHAIUSA-N 1 1 276.424 2.723 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)c2cccc(C)c2)C1 ZINC001034416287 780970866 /nfs/dbraw/zinc/97/08/66/780970866.db2.gz MYBLWJMZABKUEC-SJLPKXTDSA-N 1 1 298.430 2.702 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H](NC(=O)c2cc(C)[nH]c2C)C1 ZINC001034415621 780971174 /nfs/dbraw/zinc/97/11/74/780971174.db2.gz IMHXSJLTDYDYIO-HNNXBMFYSA-N 1 1 289.423 2.792 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H](C)c2cccc(C)c2)C1 ZINC001034416288 780971542 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/nfs/dbraw/zinc/76/54/99/349765499.db2.gz LHKBNJOKUDYXTP-UHFFFAOYSA-N 1 1 299.418 2.864 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000595907553 349766118 /nfs/dbraw/zinc/76/61/18/349766118.db2.gz ANLTTYITUMOMLM-ZDUSSCGKSA-N 1 1 273.336 2.944 20 30 CFEDMO C=CC[NH+](CC=C)CC(=O)N[C@H](C)c1ccccc1OC ZINC000070925710 346915615 /nfs/dbraw/zinc/91/56/15/346915615.db2.gz JCIIUFMLIOFZRO-CQSZACIVSA-N 1 1 288.391 2.546 20 30 CFEDMO C[N@@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000595909018 349766544 /nfs/dbraw/zinc/76/65/44/349766544.db2.gz LCKFTNNHFDGDRV-GFCCVEGCSA-N 1 1 273.336 2.944 20 30 CFEDMO C[N@H+](Cc1c(C#N)cccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000595909018 349766549 /nfs/dbraw/zinc/76/65/49/349766549.db2.gz LCKFTNNHFDGDRV-GFCCVEGCSA-N 1 1 273.336 2.944 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595836992 349749427 /nfs/dbraw/zinc/74/94/27/349749427.db2.gz ZPMSYQPHZIPNRU-HZPDHXFCSA-N 1 1 284.403 2.956 20 30 CFEDMO COc1cccc(CCC[N@H+]2CC[C@](C)(C#N)C2)c1 ZINC000595838345 349749514 /nfs/dbraw/zinc/74/95/14/349749514.db2.gz AQDPJBLYMWXVFB-MRXNPFEDSA-N 1 1 258.365 2.863 20 30 CFEDMO C[C@]1(C#N)CC[N@H+](CCCOc2cccc(C#N)c2)C1 ZINC000595837610 349749690 /nfs/dbraw/zinc/74/96/90/349749690.db2.gz KDPITYIMIAAYRA-MRXNPFEDSA-N 1 1 269.348 2.563 20 30 CFEDMO C[C@]1(C#N)CC[N@@H+](CCCOc2cccc(C#N)c2)C1 ZINC000595837610 349749694 /nfs/dbraw/zinc/74/96/94/349749694.db2.gz KDPITYIMIAAYRA-MRXNPFEDSA-N 1 1 269.348 2.563 20 30 CFEDMO C[C@]1(C#N)CC[N@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000595837156 349749842 /nfs/dbraw/zinc/74/98/42/349749842.db2.gz DZCAPWFBPPXXFV-MRXNPFEDSA-N 1 1 282.347 2.515 20 30 CFEDMO C[C@]1(C#N)CC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000595837156 349749845 /nfs/dbraw/zinc/74/98/45/349749845.db2.gz DZCAPWFBPPXXFV-MRXNPFEDSA-N 1 1 282.347 2.515 20 30 CFEDMO CO[C@H](C[N@H+]1CC[C@@](C)(C#N)C1)C1CCCCC1 ZINC000595841543 349751485 /nfs/dbraw/zinc/75/14/85/349751485.db2.gz MAOZXQSQFXDNDZ-CABCVRRESA-N 1 1 250.386 2.817 20 30 CFEDMO Cc1ccccc1OCCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595841730 349751512 /nfs/dbraw/zinc/75/15/12/349751512.db2.gz WYQVLMLPIDSKHI-MRXNPFEDSA-N 1 1 258.365 3.000 20 30 CFEDMO Cc1ccccc1OCCC[N@H+]1CC[C@](C)(C#N)C1 ZINC000595841730 349751514 /nfs/dbraw/zinc/75/15/14/349751514.db2.gz WYQVLMLPIDSKHI-MRXNPFEDSA-N 1 1 258.365 3.000 20 30 CFEDMO C[C@]1(C#N)CC[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000595840357 349751943 /nfs/dbraw/zinc/75/19/43/349751943.db2.gz AAXHOGSKSILCEY-CQSZACIVSA-N 1 1 294.301 2.786 20 30 CFEDMO C[C@]1(C#N)CC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000595840357 349751947 /nfs/dbraw/zinc/75/19/47/349751947.db2.gz AAXHOGSKSILCEY-CQSZACIVSA-N 1 1 294.301 2.786 20 30 CFEDMO CC(C)(C)C(=O)N1CCC[C@@H](C[N@H+]2CC[C@](C)(C#N)C2)C1 ZINC000595842604 349753114 /nfs/dbraw/zinc/75/31/14/349753114.db2.gz TZUXHNPJTHGAQK-WMLDXEAASA-N 1 1 291.439 2.507 20 30 CFEDMO CC(C)NC(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000595851840 349754920 /nfs/dbraw/zinc/75/49/20/349754920.db2.gz VKUHCTDIRSTNQI-RHSMWYFYSA-N 1 1 299.418 2.856 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000595856428 349756394 /nfs/dbraw/zinc/75/63/94/349756394.db2.gz CDFJGBBHRDRDIY-ZHSRIRAXSA-N 1 1 291.439 2.692 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000595870296 349757978 /nfs/dbraw/zinc/75/79/78/349757978.db2.gz GYSRBHDPZNHOBT-INIZCTEOSA-N 1 1 291.439 2.793 20 30 CFEDMO CC12CC(C1)C[N@H+]2[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000595918404 349768562 /nfs/dbraw/zinc/76/85/62/349768562.db2.gz BGJYZAFIZQYPKB-BFHRDPOASA-N 1 1 295.386 2.538 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CCNc2nc3ncccc3cc2C#N)C1 ZINC000596076195 349788140 /nfs/dbraw/zinc/78/81/40/349788140.db2.gz MPMQWFGTIKKWCN-CYBMUJFWSA-N 1 1 295.390 2.645 20 30 CFEDMO CC(=O)c1ccc(C#N)c(NCCCn2cc[nH+]c2C)c1 ZINC000273160715 192061709 /nfs/dbraw/zinc/06/17/09/192061709.db2.gz BJOFZGVHWJOHFB-UHFFFAOYSA-N 1 1 282.347 2.768 20 30 CFEDMO Cc1ccc(C#N)nc1N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000596138090 349804446 /nfs/dbraw/zinc/80/44/46/349804446.db2.gz FAJOYGRVVCKULK-HNNXBMFYSA-N 1 1 272.396 2.572 20 30 CFEDMO Cc1ccc(C#N)nc1N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000596170559 349816118 /nfs/dbraw/zinc/81/61/18/349816118.db2.gz USHRUQFZEKYAHV-RHSMWYFYSA-N 1 1 296.418 2.715 20 30 CFEDMO N#Cc1nc(NC[C@@H]2CCCC[N@@H+]2C2CC2)sc1Cl ZINC000596211892 349827761 /nfs/dbraw/zinc/82/77/61/349827761.db2.gz YLJHGEMEGXFFJO-JTQLQIEISA-N 1 1 296.827 2.519 20 30 CFEDMO N#Cc1nc(NC[C@@H]2CCCC[N@H+]2C2CC2)sc1Cl ZINC000596211892 349827762 /nfs/dbraw/zinc/82/77/62/349827762.db2.gz YLJHGEMEGXFFJO-JTQLQIEISA-N 1 1 296.827 2.519 20 30 CFEDMO CCCC[N@@H+](C)C[C@@H](C)Nc1nc(C#N)c(Cl)s1 ZINC000596235970 349835606 /nfs/dbraw/zinc/83/56/06/349835606.db2.gz DJRMGFIPVJJMFD-SECBINFHSA-N 1 1 286.832 2.622 20 30 CFEDMO CC[C@@H]1C[N@@H+](CC)CCN1c1nc(C#N)c(Cl)s1 ZINC000596256861 349843871 /nfs/dbraw/zinc/84/38/71/349843871.db2.gz HHNUPCIPYBVEEU-SECBINFHSA-N 1 1 284.816 2.589 20 30 CFEDMO C[N@@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCC[C@@H]1O ZINC000352692745 529822905 /nfs/dbraw/zinc/82/29/05/529822905.db2.gz GRQBVOWSKYBSOL-GJZGRUSLSA-N 1 1 263.768 2.537 20 30 CFEDMO CC[N@@H+](CCCNc1c(C#N)cnn1C)C1CCCCC1 ZINC000596290894 349853956 /nfs/dbraw/zinc/85/39/56/349853956.db2.gz WRELSJBPHUSPJD-UHFFFAOYSA-N 1 1 289.427 2.748 20 30 CFEDMO Cc1[nH]c2nc[nH+]c(N3CCC[C@@H](CC#N)C3)c2c1C ZINC000596325385 349863934 /nfs/dbraw/zinc/86/39/34/349863934.db2.gz KFXCXGPHAFSZGH-LBPRGKRZSA-N 1 1 269.352 2.705 20 30 CFEDMO C[N@@H+](CCCCNc1nc2c(cc1C#N)CCC2)C1CC1 ZINC000413348240 529884395 /nfs/dbraw/zinc/88/43/95/529884395.db2.gz NRDFQMYOLBCKBX-UHFFFAOYSA-N 1 1 284.407 2.728 20 30 CFEDMO N#CCSCCC[N@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000074990988 347046167 /nfs/dbraw/zinc/04/61/67/347046167.db2.gz SFXZPMRHGVJCPV-OAHLLOKOSA-N 1 1 276.405 2.787 20 30 CFEDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000075022332 347048401 /nfs/dbraw/zinc/04/84/01/347048401.db2.gz INICAGGOVZDSSB-GJZGRUSLSA-N 1 1 291.439 2.792 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)C[C@@H]1CC ZINC000075022312 347048791 /nfs/dbraw/zinc/04/87/91/347048791.db2.gz MMXDHBPJEGFMNK-KGLIPLIRSA-N 1 1 252.402 2.531 20 30 CFEDMO C[N@H+](Cc1cc(F)ccc1C#N)CC1CCOCC1 ZINC000156099574 529980089 /nfs/dbraw/zinc/98/00/89/529980089.db2.gz FRGUGQKQZWTMLG-UHFFFAOYSA-N 1 1 262.328 2.556 20 30 CFEDMO C[N@H+]1CCC[C@@H](CCNc2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000413442314 530055038 /nfs/dbraw/zinc/05/50/38/530055038.db2.gz QNVBGJDGMAHTDE-LBPRGKRZSA-N 1 1 288.351 2.610 20 30 CFEDMO C[N@H+]1CCC[C@H](CCNc2c(C#N)cccc2C#N)C1 ZINC000413438074 530060828 /nfs/dbraw/zinc/06/08/28/530060828.db2.gz LJHHIHGUBFQEBK-CYBMUJFWSA-N 1 1 268.364 2.574 20 30 CFEDMO C[N@H+]1CCC[C@H]1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000114076079 530062411 /nfs/dbraw/zinc/06/24/11/530062411.db2.gz PXZSQOYOURRHRR-CVEARBPZSA-N 1 1 299.418 2.759 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CC[C@](C)(COC)C2)cc1 ZINC000295104674 199346776 /nfs/dbraw/zinc/34/67/76/199346776.db2.gz KWLCJYNQOABSBE-KRWDZBQOSA-N 1 1 273.376 2.557 20 30 CFEDMO CCC[N@@H+](C)CC(C)(C)Nc1nccc(C)c1C#N ZINC000596544139 349937280 /nfs/dbraw/zinc/93/72/80/349937280.db2.gz ZLGUJHSFWMMWGU-UHFFFAOYSA-N 1 1 260.385 2.794 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000075617532 347088719 /nfs/dbraw/zinc/08/87/19/347088719.db2.gz SAYKVCYURNBSAE-GFCCVEGCSA-N 1 1 282.347 2.983 20 30 CFEDMO O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000328799516 539524682 /nfs/dbraw/zinc/52/46/82/539524682.db2.gz HHCWSACAALHOEZ-ILXRZTDVSA-N 1 1 280.412 2.653 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+](C)CCOc1ccc(Cl)cc1 ZINC000677047959 539531751 /nfs/dbraw/zinc/53/17/51/539531751.db2.gz LVBJXFDNTIWUNN-AWEZNQCLSA-N 1 1 269.772 2.588 20 30 CFEDMO Cc1ccc(C#N)nc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596569664 349943627 /nfs/dbraw/zinc/94/36/27/349943627.db2.gz BJRSCPKYKDYLOJ-OAHLLOKOSA-N 1 1 284.407 2.796 20 30 CFEDMO Cc1cc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc(C#N)n1 ZINC000596569736 349943771 /nfs/dbraw/zinc/94/37/71/349943771.db2.gz DIXMIDOBDYTAMR-OAHLLOKOSA-N 1 1 284.407 2.796 20 30 CFEDMO C=CC[C@@H]1CCC[N@@H+](Cc2cn(Cc3cccnc3)nn2)C1 ZINC000668492755 539533519 /nfs/dbraw/zinc/53/35/19/539533519.db2.gz FOOIMMYMLPZHGG-OAHLLOKOSA-N 1 1 297.406 2.510 20 30 CFEDMO NC(=[NH2+])Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 ZINC000030005201 346285379 /nfs/dbraw/zinc/28/53/79/346285379.db2.gz FQMYBXKDIAZVTO-UHFFFAOYSA-N 1 1 286.282 2.734 20 30 CFEDMO CC[N@@H+](C[C@@H](O)COc1ccccc1C#N)C1CCCC1 ZINC000035766090 346320873 /nfs/dbraw/zinc/32/08/73/346320873.db2.gz VTDMTQCNIJKKKT-MRXNPFEDSA-N 1 1 288.391 2.562 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC000042366447 346364242 /nfs/dbraw/zinc/36/42/42/346364242.db2.gz KFALOCYVZLLHKD-UHFFFAOYSA-N 1 1 292.810 2.972 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@H+](C)Cc1cccc(Cl)c1 ZINC000042366447 346364244 /nfs/dbraw/zinc/36/42/44/346364244.db2.gz KFALOCYVZLLHKD-UHFFFAOYSA-N 1 1 292.810 2.972 20 30 CFEDMO C=CCNC(=O)C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000044089773 346389758 /nfs/dbraw/zinc/38/97/58/346389758.db2.gz ZFNZKLCOGYAELM-GFCCVEGCSA-N 1 1 272.348 2.728 20 30 CFEDMO C=CCNC(=O)C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000044089773 346389759 /nfs/dbraw/zinc/38/97/59/346389759.db2.gz ZFNZKLCOGYAELM-GFCCVEGCSA-N 1 1 272.348 2.728 20 30 CFEDMO CC[N@H+](CC(=O)N(C)C1(C#N)CCCCC1)CC(C)C ZINC000046064742 346418978 /nfs/dbraw/zinc/41/89/78/346418978.db2.gz YTBCHVDUMHCRAM-UHFFFAOYSA-N 1 1 279.428 2.649 20 30 CFEDMO N#Cc1ccccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000046092315 346419647 /nfs/dbraw/zinc/41/96/47/346419647.db2.gz HVLKZUCSUNYUGX-CYBMUJFWSA-N 1 1 256.349 2.559 20 30 CFEDMO CC[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCOC1 ZINC000047726326 346458193 /nfs/dbraw/zinc/45/81/93/346458193.db2.gz XLTBUNJYSKMGFM-ZDUSSCGKSA-N 1 1 262.328 2.556 20 30 CFEDMO CC(C)CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1CC1 ZINC000047912071 346461023 /nfs/dbraw/zinc/46/10/23/346461023.db2.gz IFIQRVIZLPDPIH-MRXNPFEDSA-N 1 1 279.428 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N#CC[C@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000397761422 348564257 /nfs/dbraw/zinc/56/42/57/348564257.db2.gz RTAYLTKQHZWUPT-LLVKDONJSA-N 1 1 264.291 2.581 20 30 CFEDMO COc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC000397837744 348564824 /nfs/dbraw/zinc/56/48/24/348564824.db2.gz ORYGYMDJGXFQKY-LBPRGKRZSA-N 1 1 262.328 2.960 20 30 CFEDMO COc1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)cc1F ZINC000397837744 348564827 /nfs/dbraw/zinc/56/48/27/348564827.db2.gz ORYGYMDJGXFQKY-LBPRGKRZSA-N 1 1 262.328 2.960 20 30 CFEDMO COc1cccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1F ZINC000397847808 348564983 /nfs/dbraw/zinc/56/49/83/348564983.db2.gz QVTJIPANHFYPCG-GFCCVEGCSA-N 1 1 262.328 2.960 20 30 CFEDMO COc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1F ZINC000397847808 348564987 /nfs/dbraw/zinc/56/49/87/348564987.db2.gz QVTJIPANHFYPCG-GFCCVEGCSA-N 1 1 262.328 2.960 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000397856817 348565134 /nfs/dbraw/zinc/56/51/34/348565134.db2.gz UDEICIAOHMQSBT-HNNXBMFYSA-N 1 1 258.365 2.829 20 30 CFEDMO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C)C#N ZINC000527302760 348646556 /nfs/dbraw/zinc/64/65/56/348646556.db2.gz VQBAOHLYTKUSPG-BCMYLCSRSA-N 1 1 259.309 2.747 20 30 CFEDMO C=CC[C@H]1[N@H+](CCCN2CCOCC2)CCCC1(C)C ZINC000444777973 348617979 /nfs/dbraw/zinc/61/79/79/348617979.db2.gz UTNKDMFPKUNECY-MRXNPFEDSA-N 1 1 280.456 2.775 20 30 CFEDMO COC(=O)c1cccc2c1CC[N@@H+](CCCCC#N)C2 ZINC000459539104 348624897 /nfs/dbraw/zinc/62/48/97/348624897.db2.gz PHJCZWSAJJJERG-UHFFFAOYSA-N 1 1 272.348 2.525 20 30 CFEDMO CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@](C)(C#N)C1 ZINC000588204742 348779956 /nfs/dbraw/zinc/77/99/56/348779956.db2.gz FHHHBPHLZDACAK-MRXNPFEDSA-N 1 1 280.412 2.982 20 30 CFEDMO C[C@@H](CNC(=O)CCCCCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000588294455 348782797 /nfs/dbraw/zinc/78/27/97/348782797.db2.gz AAKUDIDXDVGTEC-CABCVRRESA-N 1 1 279.428 2.697 20 30 CFEDMO C[N@H+](Cc1cn[nH]c1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589499772 348835706 /nfs/dbraw/zinc/83/57/06/348835706.db2.gz BSVVTKLPNAPLMT-UHFFFAOYSA-N 1 1 294.280 2.932 20 30 CFEDMO C[N@@H+](Cc1cn[nH]c1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000589499772 348835707 /nfs/dbraw/zinc/83/57/07/348835707.db2.gz BSVVTKLPNAPLMT-UHFFFAOYSA-N 1 1 294.280 2.932 20 30 CFEDMO C[C@@]1(C[NH2+]C[C@@H](C#N)CCC#N)OCCc2sccc21 ZINC000589573852 348839587 /nfs/dbraw/zinc/83/95/87/348839587.db2.gz RQKUKXAKFAGHAZ-DOMZBBRYSA-N 1 1 289.404 2.569 20 30 CFEDMO CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCc3[nH+]c[nH]c3C2)n1 ZINC000589606169 348841711 /nfs/dbraw/zinc/84/17/11/348841711.db2.gz GEVFDTMFHOGVLY-GFCCVEGCSA-N 1 1 295.390 2.943 20 30 CFEDMO CC(C)(C)c1ccc(C#N)c(N[C@@H]2CCc3[nH]c[nH+]c3C2)n1 ZINC000589606169 348841713 /nfs/dbraw/zinc/84/17/13/348841713.db2.gz GEVFDTMFHOGVLY-GFCCVEGCSA-N 1 1 295.390 2.943 20 30 CFEDMO C[N@H+]1CC[C@@]2(CCN(c3nc(C(C)(C)C)ccc3C#N)C2)C1 ZINC000589879262 348863289 /nfs/dbraw/zinc/86/32/89/348863289.db2.gz ZYVPFWGAJGVIJZ-GOSISDBHSA-N 1 1 298.434 2.783 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000093106411 539685387 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YRPLDMGYTGTMSW-KBPBESRZSA-N 1 1 298.308 2.612 20 30 CFEDMO C[C@H]1COCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000591019715 348979818 /nfs/dbraw/zinc/97/98/18/348979818.db2.gz YABBHNTYQJBBLN-AWEZNQCLSA-N 1 1 250.386 2.961 20 30 CFEDMO C[N@H+]1Cc2ccccc2[C@H](Nc2ncc(C#N)cc2F)C1 ZINC000591151370 348993542 /nfs/dbraw/zinc/99/35/42/348993542.db2.gz KJCTZNBGHJWASN-OAHLLOKOSA-N 1 1 282.322 2.691 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@H](Nc2ncc(C#N)cc2F)C1 ZINC000591151370 348993546 /nfs/dbraw/zinc/99/35/46/348993546.db2.gz KJCTZNBGHJWASN-OAHLLOKOSA-N 1 1 282.322 2.691 20 30 CFEDMO C[C@H]([NH2+][C@H]1CCc2cc(C#N)ccc21)c1ccn(C)n1 ZINC000591241468 349002863 /nfs/dbraw/zinc/00/28/63/349002863.db2.gz WNUXMLXJIVRWPQ-ZBEGNZNMSA-N 1 1 266.348 2.630 20 30 CFEDMO Cc1cc(NC(=O)[C@@]2(C)CCOC2)cn2cc[nH+]c12 ZINC000329399262 539697890 /nfs/dbraw/zinc/69/78/90/539697890.db2.gz XGHCKKACIVMNEX-AWEZNQCLSA-N 1 1 259.309 2.657 20 30 CFEDMO N#CCC[NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 ZINC000591740076 349041349 /nfs/dbraw/zinc/04/13/49/349041349.db2.gz RKSGALFPKZFLGG-LBPRGKRZSA-N 1 1 283.297 2.787 20 30 CFEDMO CC[C@@H](N[C@@H]1CCC[NH2+]CC1)c1ccc(C#N)cc1 ZINC000591578303 349031904 /nfs/dbraw/zinc/03/19/04/349031904.db2.gz NEBHGGIHWDJYMA-HZPDHXFCSA-N 1 1 257.381 2.741 20 30 CFEDMO CC(C)([NH2+]Cc1ccncc1C#N)c1ccccc1 ZINC000592066680 349078140 /nfs/dbraw/zinc/07/81/40/349078140.db2.gz GLYGORLQCDFWLU-UHFFFAOYSA-N 1 1 251.333 2.978 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccncc2C#N)C1 ZINC000592079600 349080404 /nfs/dbraw/zinc/08/04/04/349080404.db2.gz DBSXUXNMGYPAHC-DAYGRLMNSA-N 1 1 298.434 2.790 20 30 CFEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000592096041 349082205 /nfs/dbraw/zinc/08/22/05/349082205.db2.gz JKCWQOPEGSBCGB-LSDHHAIUSA-N 1 1 285.391 2.592 20 30 CFEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000592096041 349082209 /nfs/dbraw/zinc/08/22/09/349082209.db2.gz JKCWQOPEGSBCGB-LSDHHAIUSA-N 1 1 285.391 2.592 20 30 CFEDMO N#Cc1cnccc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000592103771 349083546 /nfs/dbraw/zinc/08/35/46/349083546.db2.gz FLVGNJUNGRXEJY-AEFFLSMTSA-N 1 1 293.370 2.821 20 30 CFEDMO N#Cc1cnccc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000592125836 349088051 /nfs/dbraw/zinc/08/80/51/349088051.db2.gz KWGZJIZDCKYGOK-OAHLLOKOSA-N 1 1 273.405 2.672 20 30 CFEDMO N#Cc1cnccc1C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000592125836 349088054 /nfs/dbraw/zinc/08/80/54/349088054.db2.gz KWGZJIZDCKYGOK-OAHLLOKOSA-N 1 1 273.405 2.672 20 30 CFEDMO C[N@H+](Cc1ccncc1C#N)C1CC(OC(C)(C)C)C1 ZINC000592125146 349088222 /nfs/dbraw/zinc/08/82/22/349088222.db2.gz QXJPGEKQZHQNLX-UHFFFAOYSA-N 1 1 273.380 2.731 20 30 CFEDMO C[N@@H+](Cc1ccncc1C#N)C1CC(OC(C)(C)C)C1 ZINC000592125146 349088224 /nfs/dbraw/zinc/08/82/24/349088224.db2.gz QXJPGEKQZHQNLX-UHFFFAOYSA-N 1 1 273.380 2.731 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000592140146 349090340 /nfs/dbraw/zinc/09/03/40/349090340.db2.gz JZAMNGLUGRWXAB-INIZCTEOSA-N 1 1 293.370 2.951 20 30 CFEDMO C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148259 349091227 /nfs/dbraw/zinc/09/12/27/349091227.db2.gz XAZQBCBXZZDXAJ-BXUZGUMPSA-N 1 1 264.756 2.751 20 30 CFEDMO C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592148259 349091231 /nfs/dbraw/zinc/09/12/31/349091231.db2.gz XAZQBCBXZZDXAJ-BXUZGUMPSA-N 1 1 264.756 2.751 20 30 CFEDMO Cc1ccc(C[N@H+](CC2CC2)CC2(C#N)CC2)cn1 ZINC000592146069 349091538 /nfs/dbraw/zinc/09/15/38/349091538.db2.gz NBGSUVMEHKJUHH-UHFFFAOYSA-N 1 1 255.365 2.906 20 30 CFEDMO Cc1ccc(C[N@@H+](CC2CC2)CC2(C#N)CC2)cn1 ZINC000592146069 349091545 /nfs/dbraw/zinc/09/15/45/349091545.db2.gz NBGSUVMEHKJUHH-UHFFFAOYSA-N 1 1 255.365 2.906 20 30 CFEDMO COC(=O)c1cccc2c1C[N@@H+](CCCCC#N)CC2 ZINC000592158966 349093389 /nfs/dbraw/zinc/09/33/89/349093389.db2.gz OIYAMILJBMJORL-UHFFFAOYSA-N 1 1 272.348 2.525 20 30 CFEDMO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000329670738 539719475 /nfs/dbraw/zinc/71/94/75/539719475.db2.gz TUSJWCVKOLFVPZ-AWEZNQCLSA-N 1 1 290.411 2.747 20 30 CFEDMO Cc1nc(NCc2ccc(CC#N)cc2)c(C)c(C)[nH+]1 ZINC000591959932 349065605 /nfs/dbraw/zinc/06/56/05/349065605.db2.gz JCJGDWGICVKLQY-UHFFFAOYSA-N 1 1 266.348 2.502 20 30 CFEDMO CN1C[C@@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H](c2ccccc2)C1 ZINC000592401965 349116755 /nfs/dbraw/zinc/11/67/55/349116755.db2.gz FLSNTYLQBKHCOK-DDBAPUKQSA-N 1 1 283.419 2.614 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000592432146 349118493 /nfs/dbraw/zinc/11/84/93/349118493.db2.gz FVFZXYOTBQCGPI-NVXWUHKLSA-N 1 1 297.402 2.923 20 30 CFEDMO CCc1cccc(Cl)c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522944 349132773 /nfs/dbraw/zinc/13/27/73/349132773.db2.gz UFRJHIAVBHPPPT-HNNXBMFYSA-N 1 1 278.783 2.753 20 30 CFEDMO COc1ccc2ccccc2c1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523528 349133703 /nfs/dbraw/zinc/13/37/03/349133703.db2.gz NWDOBXLZDJTYCE-SFHVURJKSA-N 1 1 296.370 2.699 20 30 CFEDMO CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592523403 349133968 /nfs/dbraw/zinc/13/39/68/349133968.db2.gz ZQUBINQLRFTKIH-KFWWJZLASA-N 1 1 250.386 2.553 20 30 CFEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1 ZINC000592524348 349134097 /nfs/dbraw/zinc/13/40/97/349134097.db2.gz XFQXFKQMTYXGDC-QGZVFWFLSA-N 1 1 282.343 2.797 20 30 CFEDMO COc1cc2ccccc2cc1C[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592526602 349135601 /nfs/dbraw/zinc/13/56/01/349135601.db2.gz ZWCNZRWXIRGGKD-SFHVURJKSA-N 1 1 296.370 2.699 20 30 CFEDMO N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1C2CCC1CC2 ZINC000592570770 349138247 /nfs/dbraw/zinc/13/82/47/349138247.db2.gz QSLCWHCWRMDHQX-UHFFFAOYSA-N 1 1 289.766 2.777 20 30 CFEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000592749973 349164524 /nfs/dbraw/zinc/16/45/24/349164524.db2.gz NMLMXEGZWVJKOQ-RHSMWYFYSA-N 1 1 299.418 2.637 20 30 CFEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N(CCC#N)CC1CC1 ZINC000592761735 349165001 /nfs/dbraw/zinc/16/50/01/349165001.db2.gz KDIRKHSNKGLEOA-CYBMUJFWSA-N 1 1 288.395 2.549 20 30 CFEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)NCC(C)(C)CCC#N ZINC000592799434 349167283 /nfs/dbraw/zinc/16/72/83/349167283.db2.gz IONVHWHJDFLSFC-CYBMUJFWSA-N 1 1 290.411 2.843 20 30 CFEDMO CC(C)N(C(=O)[C@H](C)C#N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000592870024 349173468 /nfs/dbraw/zinc/17/34/68/349173468.db2.gz BTUCBHHZFACIHY-WBVHZDCISA-N 1 1 299.418 2.658 20 30 CFEDMO N#Cc1c(F)cccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593116812 349213558 /nfs/dbraw/zinc/21/35/58/349213558.db2.gz ISEITCBAVDEPNK-ZDUSSCGKSA-N 1 1 266.266 2.928 20 30 CFEDMO N#Cc1c(F)cccc1C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593116812 349213559 /nfs/dbraw/zinc/21/35/59/349213559.db2.gz ISEITCBAVDEPNK-ZDUSSCGKSA-N 1 1 266.266 2.928 20 30 CFEDMO N#Cc1cccc2c1C[N@H+](CC[C@H]1CCCCO1)C2 ZINC000593125804 349217373 /nfs/dbraw/zinc/21/73/73/349217373.db2.gz GNNMXUADPRHLLX-OAHLLOKOSA-N 1 1 256.349 2.833 20 30 CFEDMO N#Cc1cccc2c1C[N@@H+](CC[C@H]1CCCCO1)C2 ZINC000593125804 349217378 /nfs/dbraw/zinc/21/73/78/349217378.db2.gz GNNMXUADPRHLLX-OAHLLOKOSA-N 1 1 256.349 2.833 20 30 CFEDMO CC[C@@H]1CO[C@@H](CC)C[N@H+]1CCCSCC#N ZINC000593059729 349197222 /nfs/dbraw/zinc/19/72/22/349197222.db2.gz SNSYFVGRQYEFOI-OLZOCXBDSA-N 1 1 256.415 2.523 20 30 CFEDMO C[C@@H](CO)C1CC[NH+](Cc2cc(F)ccc2C#N)CC1 ZINC000593083599 349204707 /nfs/dbraw/zinc/20/47/07/349204707.db2.gz JUNDDCMDHYBLLO-LBPRGKRZSA-N 1 1 276.355 2.538 20 30 CFEDMO CN1CC[N@@H+](CCC(C)(C)C#N)[C@H](Cc2ccccc2)C1 ZINC000593089944 349205876 /nfs/dbraw/zinc/20/58/76/349205876.db2.gz WDLHWCNIBDYEKJ-QGZVFWFLSA-N 1 1 285.435 2.785 20 30 CFEDMO C[N@@H+]1CCN(CCC(C)(C)C#N)[C@H](Cc2ccccc2)C1 ZINC000593089944 349205879 /nfs/dbraw/zinc/20/58/79/349205879.db2.gz WDLHWCNIBDYEKJ-QGZVFWFLSA-N 1 1 285.435 2.785 20 30 CFEDMO C[N@H+]1CCN(CCC(C)(C)C#N)[C@H](Cc2ccccc2)C1 ZINC000593089944 349205881 /nfs/dbraw/zinc/20/58/81/349205881.db2.gz WDLHWCNIBDYEKJ-QGZVFWFLSA-N 1 1 285.435 2.785 20 30 CFEDMO CC[C@H](C#N)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000593616549 349299708 /nfs/dbraw/zinc/29/97/08/349299708.db2.gz NSVISZKJACEVHL-WBVHZDCISA-N 1 1 299.418 2.563 20 30 CFEDMO CC[C@@H](C#N)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000593616548 349299781 /nfs/dbraw/zinc/29/97/81/349299781.db2.gz NSVISZKJACEVHL-RDJZCZTQSA-N 1 1 299.418 2.563 20 30 CFEDMO CC[C@H](C#N)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000593407762 349262354 /nfs/dbraw/zinc/26/23/54/349262354.db2.gz VYBDGIRCLFALFP-CQSZACIVSA-N 1 1 287.407 2.693 20 30 CFEDMO CC[C@H](C#N)C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000593470353 349277548 /nfs/dbraw/zinc/27/75/48/349277548.db2.gz JJOQKWALPUWMFS-OWCLPIDISA-N 1 1 291.439 2.649 20 30 CFEDMO COc1ccc(-c2noc([C@H]([NH3+])CCCCC#N)n2)cc1 ZINC000593942487 349336917 /nfs/dbraw/zinc/33/69/17/349336917.db2.gz IURIWHASEZYRMG-CYBMUJFWSA-N 1 1 286.335 2.829 20 30 CFEDMO CC(C)[C@H](C#N)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000593999724 349350073 /nfs/dbraw/zinc/35/00/73/349350073.db2.gz GVFXJNXVLJCLCV-KBPBESRZSA-N 1 1 293.798 2.607 20 30 CFEDMO Cc1ccnc([C@H]2CC[N@@H+](Cc3ccnc(C#N)c3)C2)c1 ZINC000594008444 349352438 /nfs/dbraw/zinc/35/24/38/349352438.db2.gz NXFNXTVGWNYXAH-HNNXBMFYSA-N 1 1 278.359 2.646 20 30 CFEDMO N#CC1(C[NH2+]Cc2ccccc2N2CCOCC2)CCCC1 ZINC000593652978 349304730 /nfs/dbraw/zinc/30/47/30/349304730.db2.gz UKWSDGIAQUNITH-UHFFFAOYSA-N 1 1 299.418 2.697 20 30 CFEDMO COC1(C[N@@H+]2Cc3cccc(C#N)c3C2)CCCC1 ZINC000593696228 349311165 /nfs/dbraw/zinc/31/11/65/349311165.db2.gz GBFSPQRBJKVIQU-UHFFFAOYSA-N 1 1 256.349 2.833 20 30 CFEDMO COC1(C[N@H+]2Cc3cccc(C#N)c3C2)CCCC1 ZINC000593696228 349311168 /nfs/dbraw/zinc/31/11/68/349311168.db2.gz GBFSPQRBJKVIQU-UHFFFAOYSA-N 1 1 256.349 2.833 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)cc1 ZINC000668738506 539739482 /nfs/dbraw/zinc/73/94/82/539739482.db2.gz FDAPWRIXIGYBLX-RHSMWYFYSA-N 1 1 275.392 2.702 20 30 CFEDMO N#CCCCCCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000594194948 349392876 /nfs/dbraw/zinc/39/28/76/349392876.db2.gz BKAZGTOLHHJVPX-GJZGRUSLSA-N 1 1 277.412 2.594 20 30 CFEDMO C[C@@H]1CN(C(=O)CCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000594048415 349363222 /nfs/dbraw/zinc/36/32/22/349363222.db2.gz UTNUWRFWHOZTKT-MRXNPFEDSA-N 1 1 299.418 2.803 20 30 CFEDMO C[C@@H]1CN(C(=O)CCCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000594048415 349363224 /nfs/dbraw/zinc/36/32/24/349363224.db2.gz UTNUWRFWHOZTKT-MRXNPFEDSA-N 1 1 299.418 2.803 20 30 CFEDMO CCOC(=O)CC[N@@H+](CCCC(C)(C)C#N)C(C)C ZINC000594050377 349364411 /nfs/dbraw/zinc/36/44/11/349364411.db2.gz FJTLQIKJHMVSAF-UHFFFAOYSA-N 1 1 268.401 2.980 20 30 CFEDMO N#CCCC[NH2+][C@H](Cc1ccccc1)c1ncco1 ZINC000594057078 349366515 /nfs/dbraw/zinc/36/65/15/349366515.db2.gz YVSLOLWYYZSXHE-CQSZACIVSA-N 1 1 255.321 2.852 20 30 CFEDMO C[C@@H](O)C[N@H+](Cc1ccc(Cl)cc1C#N)C1CC1 ZINC000594061057 349367308 /nfs/dbraw/zinc/36/73/08/349367308.db2.gz AVDORRMWUPTFAL-SNVBAGLBSA-N 1 1 264.756 2.557 20 30 CFEDMO C[C@@H](O)C[N@@H+](Cc1ccc(Cl)cc1C#N)C1CC1 ZINC000594061057 349367310 /nfs/dbraw/zinc/36/73/10/349367310.db2.gz AVDORRMWUPTFAL-SNVBAGLBSA-N 1 1 264.756 2.557 20 30 CFEDMO C[C@@H](O)C[N@@H+](Cc1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000594065117 349367803 /nfs/dbraw/zinc/36/78/03/349367803.db2.gz OMUVJOXLHKUYDU-CYBMUJFWSA-N 1 1 272.392 2.833 20 30 CFEDMO CC[C@@H](C#N)N(C)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000594083883 349370564 /nfs/dbraw/zinc/37/05/64/349370564.db2.gz LKYYJMCDCFKGEY-KBPBESRZSA-N 1 1 293.798 2.703 20 30 CFEDMO CN(C)CCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594494603 349429257 /nfs/dbraw/zinc/42/92/57/349429257.db2.gz ZENUBJQFDKOZAO-UHFFFAOYSA-N 1 1 259.397 2.529 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccc(C3(C#N)CC3)cc2)[C@@H](C)CO1 ZINC000596983532 350012674 /nfs/dbraw/zinc/01/26/74/350012674.db2.gz AUJHULHOMVTVFZ-KBPBESRZSA-N 1 1 270.376 2.851 20 30 CFEDMO N#CC1(c2ccc(C[N@H+](CCCCO)C3CC3)cc2)CC1 ZINC000597009269 350015033 /nfs/dbraw/zinc/01/50/33/350015033.db2.gz ISGQHEPVUZRROF-UHFFFAOYSA-N 1 1 284.403 2.979 20 30 CFEDMO COC(=O)c1oc(C[NH2+]Cc2cccc(C#N)c2)cc1C ZINC000597052032 350021489 /nfs/dbraw/zinc/02/14/89/350021489.db2.gz 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C=CC[C@H]1CC[N@H+](CCc2ccccc2C(=O)OC)C1 ZINC000599528776 350451263 /nfs/dbraw/zinc/45/12/63/350451263.db2.gz HMGQPQWIHITEFM-AWEZNQCLSA-N 1 1 273.376 2.914 20 30 CFEDMO Cc1ccc(C[N@H+]2CC[C@@H](O)CC23CCC3)cc1C#N ZINC000599440484 350439687 /nfs/dbraw/zinc/43/96/87/350439687.db2.gz LPWPUYVLOGJHFV-MRXNPFEDSA-N 1 1 270.376 2.746 20 30 CFEDMO Cc1ccc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000599470167 350442583 /nfs/dbraw/zinc/44/25/83/350442583.db2.gz XWIRTEJZKFJWHY-KGLIPLIRSA-N 1 1 258.365 2.866 20 30 CFEDMO C[C@H](C[N@@H+](C)CCC(=O)N(C)CCC#N)C1CCCCC1 ZINC000599632691 350468872 /nfs/dbraw/zinc/46/88/72/350468872.db2.gz BBHZGYKOOWXODZ-OAHLLOKOSA-N 1 1 293.455 2.897 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@@H+](C)C[C@@H](C)C1CCCCC1 ZINC000599633170 350469089 /nfs/dbraw/zinc/46/90/89/350469089.db2.gz MUGNGIZBRHGACL-OAHLLOKOSA-N 1 1 293.455 2.897 20 30 CFEDMO N#Cc1cccc(OCC[N@@H+]2CCc3c(O)cccc3C2)c1 ZINC000599644980 350471356 /nfs/dbraw/zinc/47/13/56/350471356.db2.gz BKJXMEKEFHXWCZ-UHFFFAOYSA-N 1 1 294.354 2.701 20 30 CFEDMO COc1cccc2c1C[N@H+](CCOc1ccc(C#N)cc1)C2 ZINC000599645094 350471370 /nfs/dbraw/zinc/47/13/70/350471370.db2.gz MJTXHBFWRJDTLS-UHFFFAOYSA-N 1 1 294.354 2.961 20 30 CFEDMO COc1cccc2c1C[N@@H+](CCOc1ccc(C#N)cc1)C2 ZINC000599645094 350471373 /nfs/dbraw/zinc/47/13/73/350471373.db2.gz MJTXHBFWRJDTLS-UHFFFAOYSA-N 1 1 294.354 2.961 20 30 CFEDMO Cc1[nH+]cn(CC(=O)Nc2ccc(C#N)c(Cl)c2)c1C ZINC000106440251 186117512 /nfs/dbraw/zinc/11/75/12/186117512.db2.gz TXTLPXNURMPRDI-UHFFFAOYSA-N 1 1 288.738 2.664 20 30 CFEDMO C=C(C)CC[N@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599664499 350476242 /nfs/dbraw/zinc/47/62/42/350476242.db2.gz CJMAVEKSOQRMRZ-OAHLLOKOSA-N 1 1 259.349 2.725 20 30 CFEDMO CC(C)(C#N)C[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599672610 350478018 /nfs/dbraw/zinc/47/80/18/350478018.db2.gz XSOINVWVYBOWJY-YDHLFZDLSA-N 1 1 250.386 2.552 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+]1CCCC2(CC2)CC1 ZINC000599673328 350478401 /nfs/dbraw/zinc/47/84/01/350478401.db2.gz OSBXULMGJJPUHL-GOEBONIOSA-N 1 1 291.439 2.695 20 30 CFEDMO N#CCc1cccc2c1CC[N@@H+](CCc1ccccn1)C2 ZINC000599685309 350482033 /nfs/dbraw/zinc/48/20/33/350482033.db2.gz DLDVIQDGICEKGR-UHFFFAOYSA-N 1 1 277.371 2.748 20 30 CFEDMO CC(=O)NC[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000599690696 350483852 /nfs/dbraw/zinc/48/38/52/350483852.db2.gz PFDUNFJHBCYAPJ-HNNXBMFYSA-N 1 1 279.428 2.697 20 30 CFEDMO CCC(C#N)(CC)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000599830215 350495713 /nfs/dbraw/zinc/49/57/13/350495713.db2.gz FWBOPYZDZXMAID-UHFFFAOYSA-N 1 1 279.428 2.555 20 30 CFEDMO Cn1ccc(C[N@H+]2CCc3c(CC#N)cccc3C2)c1 ZINC000600212271 350540818 /nfs/dbraw/zinc/54/08/18/350540818.db2.gz BGYUZXDXNJUYNZ-UHFFFAOYSA-N 1 1 265.360 2.649 20 30 CFEDMO C=CC[N@@H+](Cc1c[nH]nc1C)Cc1cccc(C#N)c1 ZINC000092504623 180398544 /nfs/dbraw/zinc/39/85/44/180398544.db2.gz LNYKFJWEBFKJGH-UHFFFAOYSA-N 1 1 266.348 2.778 20 30 CFEDMO C=CC[N@H+](Cc1c[nH]nc1C)Cc1cccc(C#N)c1 ZINC000092504623 180398545 /nfs/dbraw/zinc/39/85/45/180398545.db2.gz LNYKFJWEBFKJGH-UHFFFAOYSA-N 1 1 266.348 2.778 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)Cc1cn(C)nc1C ZINC000092505638 180398744 /nfs/dbraw/zinc/39/87/44/180398744.db2.gz CQSIJCRGIIPQAJ-UHFFFAOYSA-N 1 1 269.392 2.959 20 30 CFEDMO COc1ccc(C[NH2+]CC2(C#N)CC2)cc1OC1CC1 ZINC000600152500 350522219 /nfs/dbraw/zinc/52/22/19/350522219.db2.gz AULGVAAXSWBDIL-UHFFFAOYSA-N 1 1 272.348 2.630 20 30 CFEDMO C[N@@H+](Cc1cn([C@@H]2CC[C@@H](C#N)C2)nn1)C1CCCCC1 ZINC000600813636 350617057 /nfs/dbraw/zinc/61/70/57/350617057.db2.gz QNSNTZDMBDSMBN-CZUORRHYSA-N 1 1 287.411 2.907 20 30 CFEDMO COc1c(C)c[nH+]c(CN(C)[C@H]2CCC[C@@H]2C#N)c1C ZINC000600860535 350620198 /nfs/dbraw/zinc/62/01/98/350620198.db2.gz XPDKVHMTIGFRBC-HIFRSBDPSA-N 1 1 273.380 2.831 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC#N)C1 ZINC000601020728 350646766 /nfs/dbraw/zinc/64/67/66/350646766.db2.gz ATUMWLVLRMQUOK-HNNXBMFYSA-N 1 1 299.418 2.603 20 30 CFEDMO CC(C)n1ncnc1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000601118965 350672858 /nfs/dbraw/zinc/67/28/58/350672858.db2.gz SCVFDMNVJVGVED-OAHLLOKOSA-N 1 1 281.363 2.508 20 30 CFEDMO C[N@@H+]1CCO[C@H](CS[C@H](C#N)CCc2ccccc2)C1 ZINC000601084163 350662988 /nfs/dbraw/zinc/66/29/88/350662988.db2.gz VVCCWIGJHQZNIC-HOTGVXAUSA-N 1 1 290.432 2.575 20 30 CFEDMO C[N@H+]1CCO[C@H](CS[C@H](C#N)CCc2ccccc2)C1 ZINC000601084163 350662989 /nfs/dbraw/zinc/66/29/89/350662989.db2.gz VVCCWIGJHQZNIC-HOTGVXAUSA-N 1 1 290.432 2.575 20 30 CFEDMO CC[N@H+]1CCCN(C(=O)Nc2cccc(C#N)c2)[C@H](C)C1 ZINC000601229030 350703526 /nfs/dbraw/zinc/70/35/26/350703526.db2.gz CHZKGTSLSIHGDY-CYBMUJFWSA-N 1 1 286.379 2.506 20 30 CFEDMO C[C@@H]1CN(c2ncc(C#N)c3ccsc32)[C@@H](C)C[N@H+]1C ZINC000601137341 350679282 /nfs/dbraw/zinc/67/92/82/350679282.db2.gz WIVVPMIVEKEIIT-MNOVXSKESA-N 1 1 286.404 2.697 20 30 CFEDMO C[N@H+]1C[C@@H]2CCCN(c3ncc(C#N)c4ccsc43)[C@@H]2C1 ZINC000601178942 350690302 /nfs/dbraw/zinc/69/03/02/350690302.db2.gz GNDFQFNVCQUDJA-SMDDNHRTSA-N 1 1 298.415 2.698 20 30 CFEDMO CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)c2cccc(C#N)c2)CC[N@H+]1C ZINC000601646778 350752938 /nfs/dbraw/zinc/75/29/38/350752938.db2.gz HEGBGMGNWCUFOC-RRQGHBQHSA-N 1 1 299.418 2.808 20 30 CFEDMO N#CC1(C[C@H](O)C[N@H+]2CC3(CCC3)[C@H]2c2ccncc2)CC1 ZINC000601960684 350819562 /nfs/dbraw/zinc/81/95/62/350819562.db2.gz SAUWQYMUSZTVFS-JKSUJKDBSA-N 1 1 297.402 2.663 20 30 CFEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2nc3cc(F)ccc3o2)C1 ZINC000602020278 350834033 /nfs/dbraw/zinc/83/40/33/350834033.db2.gz OVSADALWUGZNCW-GXSJLCMTSA-N 1 1 259.284 2.749 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@H]1CNCc1cccc(F)c1C#N ZINC000602029778 350835628 /nfs/dbraw/zinc/83/56/28/350835628.db2.gz XNXSRJCSZRCTSF-CYBMUJFWSA-N 1 1 275.371 2.660 20 30 CFEDMO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cccc(F)c1C#N ZINC000602029778 350835633 /nfs/dbraw/zinc/83/56/33/350835633.db2.gz XNXSRJCSZRCTSF-CYBMUJFWSA-N 1 1 275.371 2.660 20 30 CFEDMO CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602083650 350838207 /nfs/dbraw/zinc/83/82/07/350838207.db2.gz ORUTUGPGOQNFNZ-HOCLYGCPSA-N 1 1 299.418 2.810 20 30 CFEDMO CC(C)CCN(CCC#N)C(=O)Cn1cc[nH+]c1C(C)C ZINC000602091940 350839713 /nfs/dbraw/zinc/83/97/13/350839713.db2.gz PQUQXCZWBWSSNU-UHFFFAOYSA-N 1 1 290.411 2.795 20 30 CFEDMO CC(C)[C@@H]1C[N@@H+](Cc2cccc(C#N)n2)CCS1 ZINC000602481607 350901037 /nfs/dbraw/zinc/90/10/37/350901037.db2.gz HCHHLSIPNXGXKD-AWEZNQCLSA-N 1 1 261.394 2.527 20 30 CFEDMO CCO[C@@H](C)c1noc(C[N@H+](C)C[C@@H](C)CCC#N)n1 ZINC000602482926 350901093 /nfs/dbraw/zinc/90/10/93/350901093.db2.gz HYJXHHOVHHIOEX-RYUDHWBXSA-N 1 1 280.372 2.539 20 30 CFEDMO CCO[C@@H](C)c1noc(C[N@@H+](C)C[C@@H](C)CCC#N)n1 ZINC000602482926 350901094 /nfs/dbraw/zinc/90/10/94/350901094.db2.gz HYJXHHOVHHIOEX-RYUDHWBXSA-N 1 1 280.372 2.539 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000602484040 350902104 /nfs/dbraw/zinc/90/21/04/350902104.db2.gz KVDSXQFUBDKBHM-DJJJIMSYSA-N 1 1 278.421 2.796 20 30 CFEDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602487592 350902765 /nfs/dbraw/zinc/90/27/65/350902765.db2.gz UTQBDROTEXRHCS-WFASDCNBSA-N 1 1 260.385 2.805 20 30 CFEDMO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602516622 350912262 /nfs/dbraw/zinc/91/22/62/350912262.db2.gz OMZZHXYSGIPWAJ-LLVKDONJSA-N 1 1 285.322 2.952 20 30 CFEDMO N#Cc1cccc(C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)n1 ZINC000602536644 350917763 /nfs/dbraw/zinc/91/77/63/350917763.db2.gz VXUPFPLZIRTVHS-QZTJIDSGSA-N 1 1 293.370 2.963 20 30 CFEDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602597085 350940616 /nfs/dbraw/zinc/94/06/16/350940616.db2.gz UJMQDZUPXRZPDF-KGLIPLIRSA-N 1 1 280.412 2.837 20 30 CFEDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602597086 350940794 /nfs/dbraw/zinc/94/07/94/350940794.db2.gz UJMQDZUPXRZPDF-UONOGXRCSA-N 1 1 280.412 2.837 20 30 CFEDMO N#Cc1cccc(C[NH2+]C2(c3cccc(F)c3)CC2)n1 ZINC000602555427 350922867 /nfs/dbraw/zinc/92/28/67/350922867.db2.gz QLMLEEOMXKAGGQ-UHFFFAOYSA-N 1 1 267.307 2.871 20 30 CFEDMO CC[N@@H+](Cc1ccccc1)Cc1cccc(C#N)n1 ZINC000602430363 350878883 /nfs/dbraw/zinc/87/88/83/350878883.db2.gz YYGIVVKKXIONME-UHFFFAOYSA-N 1 1 251.333 2.975 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000602434784 350880932 /nfs/dbraw/zinc/88/09/32/350880932.db2.gz RJVSASYPVSCZJT-SNVBAGLBSA-N 1 1 269.270 2.728 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000602434784 350880935 /nfs/dbraw/zinc/88/09/35/350880935.db2.gz RJVSASYPVSCZJT-SNVBAGLBSA-N 1 1 269.270 2.728 20 30 CFEDMO CC[N@@H+](C[C@]1(OC)CCOC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000602444179 350886072 /nfs/dbraw/zinc/88/60/72/350886072.db2.gz NAUXQBPDCAAJEF-WMLDXEAASA-N 1 1 288.391 2.747 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1CN1CCCCC1 ZINC000602447413 350887305 /nfs/dbraw/zinc/88/73/05/350887305.db2.gz FVYIHDCFJMESJX-CVEARBPZSA-N 1 1 263.429 2.877 20 30 CFEDMO C[C@H](CCC#N)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000602447413 350887306 /nfs/dbraw/zinc/88/73/06/350887306.db2.gz FVYIHDCFJMESJX-CVEARBPZSA-N 1 1 263.429 2.877 20 30 CFEDMO CCCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602456821 350888889 /nfs/dbraw/zinc/88/88/89/350888889.db2.gz YXDNUNMGOKCOBK-GJZGRUSLSA-N 1 1 279.428 2.555 20 30 CFEDMO C[C@H](CC#N)[N@@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000602460696 350890531 /nfs/dbraw/zinc/89/05/31/350890531.db2.gz ASSWAYAPEGNIFA-HUUCEWRRSA-N 1 1 257.381 2.747 20 30 CFEDMO COc1ccc2c(c1)CCC[N@@H+](Cc1cccc(C#N)n1)C2 ZINC000602461941 350891625 /nfs/dbraw/zinc/89/16/25/350891625.db2.gz JDFWPJPLTKKAKP-UHFFFAOYSA-N 1 1 293.370 2.910 20 30 CFEDMO COc1ccc2c(c1)CCC[N@H+](Cc1cccc(C#N)n1)C2 ZINC000602461941 350891627 /nfs/dbraw/zinc/89/16/27/350891627.db2.gz JDFWPJPLTKKAKP-UHFFFAOYSA-N 1 1 293.370 2.910 20 30 CFEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602469286 350893666 /nfs/dbraw/zinc/89/36/66/350893666.db2.gz SJHYEQBDDHXKNF-ZDUSSCGKSA-N 1 1 281.359 2.722 20 30 CFEDMO CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C[C@H](C)CCC#N)CC2 ZINC000602476295 350896899 /nfs/dbraw/zinc/89/68/99/350896899.db2.gz MFOGVJJFUAJNEF-OAGGEKHMSA-N 1 1 263.429 2.873 20 30 CFEDMO Cc1ccc([C@H]2COCC[N@H+]2C[C@@H](C)CCC#N)o1 ZINC000602476043 350896937 /nfs/dbraw/zinc/89/69/37/350896937.db2.gz WIHMCIVVFADQDR-GXTWGEPZSA-N 1 1 262.353 2.901 20 30 CFEDMO Cc1ccc([C@H]2COCC[N@@H+]2C[C@@H](C)CCC#N)o1 ZINC000602476043 350896940 /nfs/dbraw/zinc/89/69/40/350896940.db2.gz WIHMCIVVFADQDR-GXTWGEPZSA-N 1 1 262.353 2.901 20 30 CFEDMO C[N@@H+](CCc1cccs1)Cc1cccc(C#N)n1 ZINC000602475858 350897224 /nfs/dbraw/zinc/89/72/24/350897224.db2.gz LOOXZGSQMQCIFI-UHFFFAOYSA-N 1 1 257.362 2.689 20 30 CFEDMO Cc1nnsc1C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000602659696 350964368 /nfs/dbraw/zinc/96/43/68/350964368.db2.gz VJWPYXKAIZKGAA-UHFFFAOYSA-N 1 1 278.768 2.661 20 30 CFEDMO C[C@H](O)C[C@@H]1CCCCC[N@H+]1C[C@@H](C)CCC#N ZINC000602663248 350966245 /nfs/dbraw/zinc/96/62/45/350966245.db2.gz RKCACPSFCUMIFX-KKUMJFAQSA-N 1 1 252.402 2.942 20 30 CFEDMO CC[N@H+](Cc1cccc(C#N)n1)[C@@H](C)c1cccnc1 ZINC000602665240 350967162 /nfs/dbraw/zinc/96/71/62/350967162.db2.gz GANNRTADVHWAFU-ZDUSSCGKSA-N 1 1 266.348 2.931 20 30 CFEDMO CC[N@@H+](Cc1cccc(C#N)n1)[C@@H](C)c1cccnc1 ZINC000602665240 350967163 /nfs/dbraw/zinc/96/71/63/350967163.db2.gz GANNRTADVHWAFU-ZDUSSCGKSA-N 1 1 266.348 2.931 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCOC[C@H]1CC1CCC1 ZINC000602672064 350970875 /nfs/dbraw/zinc/97/08/75/350970875.db2.gz MJUTUDAAMGCRTO-DZGCQCFKSA-N 1 1 250.386 2.817 20 30 CFEDMO CC[N@@H+](Cc1cccc(C#N)n1)[C@H]1CCOC(C)(C)C1 ZINC000602671161 350970950 /nfs/dbraw/zinc/97/09/50/350970950.db2.gz RGUHMBIUDBTNHG-HNNXBMFYSA-N 1 1 273.380 2.733 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCN(CC(F)(F)F)C[C@H](C)C1 ZINC000602679309 350975017 /nfs/dbraw/zinc/97/50/17/350975017.db2.gz CRUCTLSKEBTVLW-CHWSQXEVSA-N 1 1 291.361 2.742 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000602714958 350995985 /nfs/dbraw/zinc/99/59/85/350995985.db2.gz 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379954366 /nfs/dbraw/zinc/95/43/66/379954366.db2.gz YFHHALFOCSTIBL-UHFFFAOYSA-N 1 1 276.424 2.820 20 30 CFEDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)Nc1cccc(C#N)c1 ZINC000335847011 379986422 /nfs/dbraw/zinc/98/64/22/379986422.db2.gz CRFKWPYZWBURLY-XJKSGUPXSA-N 1 1 298.390 2.649 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cc2ccccc2o1 ZINC000175195011 380017934 /nfs/dbraw/zinc/01/79/34/380017934.db2.gz VDSJSMBSSRAQHE-GFCCVEGCSA-N 1 1 272.348 2.555 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)Cc1cc2ccccc2o1 ZINC000175195011 380017942 /nfs/dbraw/zinc/01/79/42/380017942.db2.gz VDSJSMBSSRAQHE-GFCCVEGCSA-N 1 1 272.348 2.555 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000175370801 380052033 /nfs/dbraw/zinc/05/20/33/380052033.db2.gz CKGVCAUNEFCYPY-SJKOYZFVSA-N 1 1 251.395 2.993 20 30 CFEDMO N#CCc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000335237235 380059522 /nfs/dbraw/zinc/05/95/22/380059522.db2.gz GGURZPVNPZOLLR-KRWDZBQOSA-N 1 1 270.376 2.755 20 30 CFEDMO CC(C)[N@H+]1CCCN(Cc2cccc(C#N)c2F)CC1 ZINC000335896590 380067037 /nfs/dbraw/zinc/06/70/37/380067037.db2.gz CIXFEHHWXMRYQE-UHFFFAOYSA-N 1 1 275.371 2.613 20 30 CFEDMO C[N@H+]1CCC[C@]2(CCN(Cc3cccc(C#N)c3F)C2)C1 ZINC000335895667 380067324 /nfs/dbraw/zinc/06/73/24/380067324.db2.gz MXCFZNJQYCHERC-KRWDZBQOSA-N 1 1 287.382 2.615 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000335899487 380074527 /nfs/dbraw/zinc/07/45/27/380074527.db2.gz OROAGHYAWOPHCC-HOTGVXAUSA-N 1 1 264.413 2.533 20 30 CFEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1CC#Cc1ccccc1Cl ZINC000335941479 380133720 /nfs/dbraw/zinc/13/37/20/380133720.db2.gz XDTZGTYRCNSUHR-UONOGXRCSA-N 1 1 276.811 2.716 20 30 CFEDMO Cc1ccc(C#N)cc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000175978566 380163387 /nfs/dbraw/zinc/16/33/87/380163387.db2.gz YBIVNLGBDCGXJH-ZFWWWQNUSA-N 1 1 298.390 2.567 20 30 CFEDMO COc1cc(C)c(C[N@@H+](C)CCCC#N)cc1OC ZINC000176052653 380173051 /nfs/dbraw/zinc/17/30/51/380173051.db2.gz RXTQJNMUZRPAEM-UHFFFAOYSA-N 1 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ZINC000336279017 380305899 /nfs/dbraw/zinc/30/58/99/380305899.db2.gz NJZAVOFZVFJTRA-QGZVFWFLSA-N 1 1 275.440 2.878 20 30 CFEDMO CN1CC[C@@]2(CC[N@H+](CCC3(C#N)CCCCC3)C2)C1 ZINC000336279017 380305900 /nfs/dbraw/zinc/30/59/00/380305900.db2.gz NJZAVOFZVFJTRA-QGZVFWFLSA-N 1 1 275.440 2.878 20 30 CFEDMO CN1CC[C@@]2(CC[N@@H+](CCC3(C#N)CCCCC3)C2)C1 ZINC000336279017 380305903 /nfs/dbraw/zinc/30/59/03/380305903.db2.gz NJZAVOFZVFJTRA-QGZVFWFLSA-N 1 1 275.440 2.878 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCCOC3)C2)o1 ZINC000336511401 380388150 /nfs/dbraw/zinc/38/81/50/380388150.db2.gz QPBIPEUCKWWYAS-HNNXBMFYSA-N 1 1 260.337 2.544 20 30 CFEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000336541137 380438885 /nfs/dbraw/zinc/43/88/85/380438885.db2.gz SKPXIVQUUKZMBJ-ZFWWWQNUSA-N 1 1 288.366 2.946 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000178091352 380408764 /nfs/dbraw/zinc/40/87/64/380408764.db2.gz ULHJRAHTQGDWBW-KRWDZBQOSA-N 1 1 270.376 2.850 20 30 CFEDMO COC(=O)[C@@]1(C)CC[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000178487299 380456230 /nfs/dbraw/zinc/45/62/30/380456230.db2.gz HSXIZXNVUUOQGM-INIZCTEOSA-N 1 1 291.778 2.577 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c(F)c1 ZINC000336528463 380418920 /nfs/dbraw/zinc/41/89/20/380418920.db2.gz HKBPYXVUALZTBF-ZBFHGGJFSA-N 1 1 274.339 2.698 20 30 CFEDMO C=CC[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179166888 380516642 /nfs/dbraw/zinc/51/66/42/380516642.db2.gz FIRQIZHBWHMNCZ-VNQPRFMTSA-N 1 1 287.407 2.696 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000336599533 380527315 /nfs/dbraw/zinc/52/73/15/380527315.db2.gz JOMUSTTVPZJKDX-YOEHRIQHSA-N 1 1 269.392 2.647 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000336599533 380527336 /nfs/dbraw/zinc/52/73/36/380527336.db2.gz JOMUSTTVPZJKDX-YOEHRIQHSA-N 1 1 269.392 2.647 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000336599533 380527340 /nfs/dbraw/zinc/52/73/40/380527340.db2.gz JOMUSTTVPZJKDX-YOEHRIQHSA-N 1 1 269.392 2.647 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)s1 ZINC000336613091 380549097 /nfs/dbraw/zinc/54/90/97/380549097.db2.gz YDUPGNLJUWIABU-OLZOCXBDSA-N 1 1 276.405 2.868 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000279153689 194306725 /nfs/dbraw/zinc/30/67/25/194306725.db2.gz ASPRXILWQKGSKW-ZDUSSCGKSA-N 1 1 290.382 2.689 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000279153689 194306728 /nfs/dbraw/zinc/30/67/28/194306728.db2.gz ASPRXILWQKGSKW-ZDUSSCGKSA-N 1 1 290.382 2.689 20 30 CFEDMO Cc1c(C#N)cccc1NC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000179925426 380598076 /nfs/dbraw/zinc/59/80/76/380598076.db2.gz KVXKBCXBXMGFSI-WFASDCNBSA-N 1 1 298.390 2.567 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@]23CCOC3)c(Cl)c1 ZINC000336815655 380676649 /nfs/dbraw/zinc/67/66/49/380676649.db2.gz ILYOMMQXTYLPMR-OAHLLOKOSA-N 1 1 276.767 2.967 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000180907521 380711948 /nfs/dbraw/zinc/71/19/48/380711948.db2.gz SYAMVCMHSUEXNE-STQMWFEESA-N 1 1 267.417 2.513 20 30 CFEDMO CC(C)OCCC[N@@H+](C)CCOc1ccccc1C#N ZINC000264508001 383749428 /nfs/dbraw/zinc/74/94/28/383749428.db2.gz DVSILWSVXNCQPC-UHFFFAOYSA-N 1 1 276.380 2.684 20 30 CFEDMO COC[C@H](C#N)Nc1ccc([NH+]2CCCC2)cc1C ZINC000181326411 380776576 /nfs/dbraw/zinc/77/65/76/380776576.db2.gz QDVYLRDSTUAWEE-ZDUSSCGKSA-N 1 1 259.353 2.546 20 30 CFEDMO N#Cc1ccc(OCC[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000181393199 380785584 /nfs/dbraw/zinc/78/55/84/380785584.db2.gz GWOFHTDISRCHTB-UHFFFAOYSA-N 1 1 293.370 2.997 20 30 CFEDMO C[C@H](CNc1ccnc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000287304956 380799328 /nfs/dbraw/zinc/79/93/28/380799328.db2.gz LOOJDRIMJYMFKX-CQSZACIVSA-N 1 1 280.375 2.886 20 30 CFEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccccc1C#N ZINC000347012223 380875617 /nfs/dbraw/zinc/87/56/17/380875617.db2.gz VLHMZSUKWMFRBN-XJKCOSOUSA-N 1 1 258.365 2.540 20 30 CFEDMO C[N@@H+]1Cc2ccccc2[C@@H](Nc2cc(C#N)ccn2)C1 ZINC000367827430 380840757 /nfs/dbraw/zinc/84/07/57/380840757.db2.gz VVYZQXIVTHQHBG-HNNXBMFYSA-N 1 1 264.332 2.552 20 30 CFEDMO N#Cc1ccccc1C[NH2+][C@@H](CCO)c1ccccc1 ZINC000341225430 380842859 /nfs/dbraw/zinc/84/28/59/380842859.db2.gz FBTOETKHHRKPLF-KRWDZBQOSA-N 1 1 266.344 2.772 20 30 CFEDMO C=CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000279222465 194339833 /nfs/dbraw/zinc/33/98/33/194339833.db2.gz NZSXPCPYIIPAHK-QGZVFWFLSA-N 1 1 286.419 2.981 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000346993622 380857527 /nfs/dbraw/zinc/85/75/27/380857527.db2.gz WFUXWFBFIMMHFM-MRXNPFEDSA-N 1 1 287.407 2.643 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1cccnc1 ZINC000346993622 380857534 /nfs/dbraw/zinc/85/75/34/380857534.db2.gz WFUXWFBFIMMHFM-MRXNPFEDSA-N 1 1 287.407 2.643 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1cccc(Cl)c1C ZINC000279229376 194342821 /nfs/dbraw/zinc/34/28/21/194342821.db2.gz IWYJBTXPGWPVJY-UHFFFAOYSA-N 1 1 278.783 2.931 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1cccc(Cl)c1C ZINC000279229376 194342824 /nfs/dbraw/zinc/34/28/24/194342824.db2.gz IWYJBTXPGWPVJY-UHFFFAOYSA-N 1 1 278.783 2.931 20 30 CFEDMO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000358513839 380899156 /nfs/dbraw/zinc/89/91/56/380899156.db2.gz WLFIWWTWHPDEFP-LLVKDONJSA-N 1 1 255.321 2.959 20 30 CFEDMO CCC[N@@H+](CC)CCN[C@H](C)c1cccc(C#N)c1 ZINC000181849343 380914623 /nfs/dbraw/zinc/91/46/23/380914623.db2.gz DNHRWOKEMFKODA-CQSZACIVSA-N 1 1 259.397 2.941 20 30 CFEDMO CCCN(CC)CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000181849343 380914626 /nfs/dbraw/zinc/91/46/26/380914626.db2.gz DNHRWOKEMFKODA-CQSZACIVSA-N 1 1 259.397 2.941 20 30 CFEDMO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000368099215 380921410 /nfs/dbraw/zinc/92/14/10/380921410.db2.gz DZHSVQOXIGDCLZ-ZFWWWQNUSA-N 1 1 295.386 2.630 20 30 CFEDMO N#Cc1cccc(OCC[N@H+]2C[C@H]3CCCC[C@H]32)c1 ZINC000368095111 380921763 /nfs/dbraw/zinc/92/17/63/380921763.db2.gz PMAPJFIHZWPXIV-GDBMZVCRSA-N 1 1 256.349 2.811 20 30 CFEDMO C[C@H](NCC[N@@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000181992830 380959635 /nfs/dbraw/zinc/95/96/35/380959635.db2.gz LKZGKMCDNOWULW-GJZGRUSLSA-N 1 1 271.408 2.941 20 30 CFEDMO C[C@H](NCC[N@H+]1CCC[C@H](C)C1)c1cccc(C#N)c1 ZINC000181992830 380959646 /nfs/dbraw/zinc/95/96/46/380959646.db2.gz LKZGKMCDNOWULW-GJZGRUSLSA-N 1 1 271.408 2.941 20 30 CFEDMO C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(C#N)cc1F ZINC000358598706 380959746 /nfs/dbraw/zinc/95/97/46/380959746.db2.gz ZCTZHBPUNAXMBC-WCBMZHEXSA-N 1 1 290.260 2.661 20 30 CFEDMO Cc1cc(C[C@@H](C)[NH2+][C@H](C)c2ccc(OCC#N)cc2)n[nH]1 ZINC000182032595 380969001 /nfs/dbraw/zinc/96/90/01/380969001.db2.gz RIBCMDXAPKAPEP-TZMCWYRMSA-N 1 1 298.390 2.902 20 30 CFEDMO C[C@@H](N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(C#N)cc1F ZINC000358567034 380934197 /nfs/dbraw/zinc/93/41/97/380934197.db2.gz IWYSLGGSIBZIFY-DGCLKSJQSA-N 1 1 273.355 2.585 20 30 CFEDMO C[C@@H](N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C#N)cc1F ZINC000358567034 380934207 /nfs/dbraw/zinc/93/42/07/380934207.db2.gz IWYSLGGSIBZIFY-DGCLKSJQSA-N 1 1 273.355 2.585 20 30 CFEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1F)c1cn[nH]c1 ZINC000358568054 380935111 /nfs/dbraw/zinc/93/51/11/380935111.db2.gz DTNJPLXSXSEZOM-UWVGGRQHSA-N 1 1 258.300 2.832 20 30 CFEDMO C[N@H+]1CC[C@@]2(CCN(c3cccc(Cl)c3C#N)C2)C1 ZINC000295629864 380984663 /nfs/dbraw/zinc/98/46/63/380984663.db2.gz BXXZTLGTTAVZAK-OAHLLOKOSA-N 1 1 275.783 2.744 20 30 CFEDMO C[C@H](CCC#N)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000411142959 381009954 /nfs/dbraw/zinc/00/99/54/381009954.db2.gz LOJNIFUUDDSSPV-MRXNPFEDSA-N 1 1 271.408 2.887 20 30 CFEDMO C[C@H](CCC#N)[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000411142959 381009960 /nfs/dbraw/zinc/00/99/60/381009960.db2.gz LOJNIFUUDDSSPV-MRXNPFEDSA-N 1 1 271.408 2.887 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CCCN(Cc2ccccc2)CC1 ZINC000411142959 381009972 /nfs/dbraw/zinc/00/99/72/381009972.db2.gz LOJNIFUUDDSSPV-MRXNPFEDSA-N 1 1 271.408 2.887 20 30 CFEDMO CC(C)[C@H](O)C[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000368394174 381010647 /nfs/dbraw/zinc/01/06/47/381010647.db2.gz STZNXCRZGWAABE-QGZVFWFLSA-N 1 1 270.376 2.664 20 30 CFEDMO C=CC[NH+](CC=C)[C@H](CCCC)C(=O)Nc1cc(C)on1 ZINC000411166359 381012402 /nfs/dbraw/zinc/01/24/02/381012402.db2.gz SDBMNUSUXONKBB-CQSZACIVSA-N 1 1 291.395 2.576 20 30 CFEDMO N#CC1(CC[NH+]2CCN(C3CC3)CC2)CCCCC1 ZINC000411202171 381015116 /nfs/dbraw/zinc/01/51/16/381015116.db2.gz TVWTXSIYEUJGKQ-UHFFFAOYSA-N 1 1 261.413 2.631 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)[C@H]1CCN(C(C)C)C1=O ZINC000411201402 381016522 /nfs/dbraw/zinc/01/65/22/381016522.db2.gz RUMRDIUQQVZKCW-KRWDZBQOSA-N 1 1 286.419 2.726 20 30 CFEDMO CCC(=O)N[C@H]1CCC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411214643 381018252 /nfs/dbraw/zinc/01/82/52/381018252.db2.gz BCIZLYTWDNUDGV-HNNXBMFYSA-N 1 1 291.439 2.841 20 30 CFEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cc1ccnc(N)c1 ZINC000411303132 381021580 /nfs/dbraw/zinc/02/15/80/381021580.db2.gz UPPJDFWPQKEHSJ-SJORKVTESA-N 1 1 292.386 2.766 20 30 CFEDMO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cc1ccnc(N)c1 ZINC000411303132 381021582 /nfs/dbraw/zinc/02/15/82/381021582.db2.gz UPPJDFWPQKEHSJ-SJORKVTESA-N 1 1 292.386 2.766 20 30 CFEDMO CCC[N@@H+](C[C@@H]1CCCCO1)[C@H]1CC[C@@H](C#N)C1 ZINC000411368881 381024006 /nfs/dbraw/zinc/02/40/06/381024006.db2.gz OZIIXIUIUCSTHY-ILXRZTDVSA-N 1 1 250.386 2.960 20 30 CFEDMO COc1ccc2c(c1OC)CC[N@@H+]([C@H](C)CCC#N)C2 ZINC000411423605 381025407 /nfs/dbraw/zinc/02/54/07/381025407.db2.gz MQTSYKITDOEEHC-GFCCVEGCSA-N 1 1 274.364 2.754 20 30 CFEDMO CC(=O)c1ccc2c(c1)CC[N@@H+]([C@@H](C)CCC#N)CC2 ZINC000411408451 381026342 /nfs/dbraw/zinc/02/63/42/381026342.db2.gz PSGBWALRIIVNJG-ZDUSSCGKSA-N 1 1 270.376 2.982 20 30 CFEDMO C#CC(C)(C)[N@H+](C)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000279295157 194371976 /nfs/dbraw/zinc/37/19/76/194371976.db2.gz PTNFHFTXEOBHNZ-UHFFFAOYSA-N 1 1 286.419 2.916 20 30 CFEDMO COCCCOCC[N@@H+](C)CCC1(C#N)CCCCC1 ZINC000411439226 381028648 /nfs/dbraw/zinc/02/86/48/381028648.db2.gz DRXMQNHYSVRNSG-UHFFFAOYSA-N 1 1 282.428 2.835 20 30 CFEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)NC(C)(C)C ZINC000411489532 381029092 /nfs/dbraw/zinc/02/90/92/381029092.db2.gz QMVUEEPOBZFOHH-CYBMUJFWSA-N 1 1 278.396 2.613 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)NC(C)(C)C ZINC000411489532 381029099 /nfs/dbraw/zinc/02/90/99/381029099.db2.gz QMVUEEPOBZFOHH-CYBMUJFWSA-N 1 1 278.396 2.613 20 30 CFEDMO Cn1cnnc1[C@@H]1CCC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000411436230 381029213 /nfs/dbraw/zinc/02/92/13/381029213.db2.gz DYYGYQZHNIHDOQ-AWEZNQCLSA-N 1 1 287.411 2.816 20 30 CFEDMO Cn1cnnc1[C@@H]1CCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411436230 381029225 /nfs/dbraw/zinc/02/92/25/381029225.db2.gz DYYGYQZHNIHDOQ-AWEZNQCLSA-N 1 1 287.411 2.816 20 30 CFEDMO CCC[C@H](C#N)N(C)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000410829606 380992650 /nfs/dbraw/zinc/99/26/50/380992650.db2.gz RHZBCOPQYPWHEA-GOEBONIOSA-N 1 1 287.407 2.658 20 30 CFEDMO C[C@@H]1C[C@H](Nc2nc(Cl)c(C#N)s2)C[N@H+]1C1CC1 ZINC000288056859 381001498 /nfs/dbraw/zinc/00/14/98/381001498.db2.gz YAXSCEGJUAQNII-SFYZADRCSA-N 1 1 282.800 2.705 20 30 CFEDMO C=CC[N@@H+](Cc1nc(COC)no1)CC1CCCCC1 ZINC000182282653 381048428 /nfs/dbraw/zinc/04/84/28/381048428.db2.gz FFIAXADCHAEVKH-UHFFFAOYSA-N 1 1 279.384 2.784 20 30 CFEDMO C=CC[N@H+](Cc1nc(COC)no1)CC1CCCCC1 ZINC000182282653 381048432 /nfs/dbraw/zinc/04/84/32/381048432.db2.gz FFIAXADCHAEVKH-UHFFFAOYSA-N 1 1 279.384 2.784 20 30 CFEDMO Cc1cc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc(C#N)n1 ZINC000341526441 381067019 /nfs/dbraw/zinc/06/70/19/381067019.db2.gz MNSFPOLEDWEUMZ-TZMCWYRMSA-N 1 1 272.396 2.794 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000411540972 381033013 /nfs/dbraw/zinc/03/30/13/381033013.db2.gz GIZPRUAIUFBIMP-BBRMVZONSA-N 1 1 256.349 2.810 20 30 CFEDMO C#CCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368481562 381040023 /nfs/dbraw/zinc/04/00/23/381040023.db2.gz HRYPSNBVCQXHOD-MSOLQXFVSA-N 1 1 268.404 2.749 20 30 CFEDMO COC1([C@H](C)[NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])CCC1 ZINC000412021824 381094991 /nfs/dbraw/zinc/09/49/91/381094991.db2.gz NQHGONITWWIKAP-NSHDSACASA-N 1 1 289.335 2.514 20 30 CFEDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000368658803 381101196 /nfs/dbraw/zinc/10/11/96/381101196.db2.gz KMBONYABSOKZFA-CQSZACIVSA-N 1 1 276.355 2.946 20 30 CFEDMO C[C@@H]1CC(C)(C)C[N@H+]1CC(=O)Nc1ccc(C#N)cc1 ZINC000412032402 381108166 /nfs/dbraw/zinc/10/81/66/381108166.db2.gz BRXDKRHCAWUGKD-GFCCVEGCSA-N 1 1 271.364 2.617 20 30 CFEDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1(C#N)CCCC1 ZINC000182543097 381109788 /nfs/dbraw/zinc/10/97/88/381109788.db2.gz GSFCNKIDQATABU-HNNXBMFYSA-N 1 1 299.418 2.707 20 30 CFEDMO C#CC[N@@H+](CCCn1ccnc1)[C@@H]1CCc2ccccc21 ZINC000182699499 381141409 /nfs/dbraw/zinc/14/14/09/381141409.db2.gz CBHIQIBLJULIKL-GOSISDBHSA-N 1 1 279.387 2.896 20 30 CFEDMO CC[C@@H](C)[N@@H+](CCO)Cc1ccc(C#N)cc1OC(F)F ZINC000347455660 381163365 /nfs/dbraw/zinc/16/33/65/381163365.db2.gz NSZDJLFQAROBPF-LLVKDONJSA-N 1 1 298.333 2.752 20 30 CFEDMO CCCC[N@@H+](C)CCNc1cc(C(C)=O)ccc1C#N ZINC000347402163 381126628 /nfs/dbraw/zinc/12/66/28/381126628.db2.gz FCGHKLNSEIAOSP-UHFFFAOYSA-N 1 1 273.380 2.905 20 30 CFEDMO CCOC(=O)C[C@@H](C)[N@@H+](C)Cc1cn2ccccc2c1C#N ZINC000182672163 381136375 /nfs/dbraw/zinc/13/63/75/381136375.db2.gz XPVHGSCLADXRFP-CYBMUJFWSA-N 1 1 299.374 2.584 20 30 CFEDMO CC(C)C(=O)CC[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000289827731 381178697 /nfs/dbraw/zinc/17/86/97/381178697.db2.gz ALONMYWUFGZMBT-UHFFFAOYSA-N 1 1 299.418 2.686 20 30 CFEDMO C=CCCCCNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000354287058 381185312 /nfs/dbraw/zinc/18/53/12/381185312.db2.gz STMKUOOLAPGBRJ-HNNXBMFYSA-N 1 1 286.419 2.906 20 30 CFEDMO C=CCCCCNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000354287058 381185320 /nfs/dbraw/zinc/18/53/20/381185320.db2.gz STMKUOOLAPGBRJ-HNNXBMFYSA-N 1 1 286.419 2.906 20 30 CFEDMO C[C@@H]1CN(Cc2ccc(C#N)s2)CC[N@H+](C2CC2)C1 ZINC000295996302 381202657 /nfs/dbraw/zinc/20/26/57/381202657.db2.gz KRDIOASBTNFHIO-GFCCVEGCSA-N 1 1 275.421 2.536 20 30 CFEDMO C[C@H]1CN(C2CC2)CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000295996302 381202666 /nfs/dbraw/zinc/20/26/66/381202666.db2.gz KRDIOASBTNFHIO-GFCCVEGCSA-N 1 1 275.421 2.536 20 30 CFEDMO C[C@H]1CN(C2CC2)CC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000295996302 381202674 /nfs/dbraw/zinc/20/26/74/381202674.db2.gz KRDIOASBTNFHIO-GFCCVEGCSA-N 1 1 275.421 2.536 20 30 CFEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CCNC(=O)CC1 ZINC000296007447 381209218 /nfs/dbraw/zinc/20/92/18/381209218.db2.gz NGHMCJQQCGQVMJ-QGZVFWFLSA-N 1 1 286.419 2.981 20 30 CFEDMO CC[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H](C)CO ZINC000354421062 381254685 /nfs/dbraw/zinc/25/46/85/381254685.db2.gz HIZKSKOUTXSHNC-SNVBAGLBSA-N 1 1 286.297 2.780 20 30 CFEDMO CC[N@@H+](Cc1cccc(OCCCC#N)c1)[C@@H](C)CO ZINC000354437784 381265728 /nfs/dbraw/zinc/26/57/28/381265728.db2.gz SHYQRVSJPWRPEW-AWEZNQCLSA-N 1 1 276.380 2.572 20 30 CFEDMO C=CCOc1ccc(CN[C@@H](C)C[NH+](C)C)cc1Cl ZINC000342227156 381223555 /nfs/dbraw/zinc/22/35/55/381223555.db2.gz YAKRDOHTFZRBEG-LBPRGKRZSA-N 1 1 282.815 2.945 20 30 CFEDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(C#N)cc1F ZINC000289983783 381248348 /nfs/dbraw/zinc/24/83/48/381248348.db2.gz WZVAQEUTENWJNC-CYBMUJFWSA-N 1 1 277.387 2.907 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(CC#N)c2)C[C@H]1C ZINC000354410211 381249535 /nfs/dbraw/zinc/24/95/35/381249535.db2.gz YQBREAWCSUUMLI-PBHICJAKSA-N 1 1 299.418 2.697 20 30 CFEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369655090 381306312 /nfs/dbraw/zinc/30/63/12/381306312.db2.gz NCCXVYZABSPGCP-SWLSCSKDSA-N 1 1 276.767 2.822 20 30 CFEDMO N#Cc1cc(Cl)ccc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369655090 381306321 /nfs/dbraw/zinc/30/63/21/381306321.db2.gz NCCXVYZABSPGCP-SWLSCSKDSA-N 1 1 276.767 2.822 20 30 CFEDMO C[C@H]1[C@@H](O)CCC[N@H+]1CC#Cc1ccc(Cl)cc1 ZINC000296198100 381296186 /nfs/dbraw/zinc/29/61/86/381296186.db2.gz LZJIWOAQWKRMNO-WFASDCNBSA-N 1 1 263.768 2.537 20 30 CFEDMO CC[C@H](CC#N)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000183800342 381323389 /nfs/dbraw/zinc/32/33/89/381323389.db2.gz UNIIUGKXAYXUHA-IAGOWNOFSA-N 1 1 299.418 2.707 20 30 CFEDMO C[C@H](C#N)C[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000183829292 381326792 /nfs/dbraw/zinc/32/67/92/381326792.db2.gz ZEHRAGBYIFSDFC-CYBMUJFWSA-N 1 1 251.333 2.998 20 30 CFEDMO CN(C)c1ccccc1C[N@H+](C)Cc1ccc(C#N)o1 ZINC000290174191 381330205 /nfs/dbraw/zinc/33/02/05/381330205.db2.gz NAXRHKRGDJDPBT-UHFFFAOYSA-N 1 1 269.348 2.849 20 30 CFEDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(C#N)o1 ZINC000290174191 381330209 /nfs/dbraw/zinc/33/02/09/381330209.db2.gz NAXRHKRGDJDPBT-UHFFFAOYSA-N 1 1 269.348 2.849 20 30 CFEDMO CC[C@@H]1CN(CCCC#N)CC[N@H+]1Cc1ccccc1 ZINC000183745123 381313448 /nfs/dbraw/zinc/31/34/48/381313448.db2.gz QAHGHIHHZLVVPT-QGZVFWFLSA-N 1 1 271.408 2.887 20 30 CFEDMO COc1cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1C#N ZINC000369707492 381317139 /nfs/dbraw/zinc/31/71/39/381317139.db2.gz SZJFYNWJXLOKTK-OAHLLOKOSA-N 1 1 296.374 2.670 20 30 CFEDMO CCCC[N@@H+](C)C[C@@H](C)NCc1cc(C#N)cs1 ZINC000342412852 381317839 /nfs/dbraw/zinc/31/78/39/381317839.db2.gz HJFZRGOIPTYSDX-GFCCVEGCSA-N 1 1 265.426 2.830 20 30 CFEDMO CCCCN(C)C[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000342412852 381317848 /nfs/dbraw/zinc/31/78/48/381317848.db2.gz HJFZRGOIPTYSDX-GFCCVEGCSA-N 1 1 265.426 2.830 20 30 CFEDMO C#Cc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)cc1 ZINC000290404534 381414997 /nfs/dbraw/zinc/41/49/97/381414997.db2.gz POSIESYGRPGKPV-AYHJJNSGSA-N 1 1 268.404 2.773 20 30 CFEDMO C#Cc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000290404534 381415004 /nfs/dbraw/zinc/41/50/04/381415004.db2.gz POSIESYGRPGKPV-AYHJJNSGSA-N 1 1 268.404 2.773 20 30 CFEDMO C#Cc1ccc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000290404534 381415009 /nfs/dbraw/zinc/41/50/09/381415009.db2.gz POSIESYGRPGKPV-AYHJJNSGSA-N 1 1 268.404 2.773 20 30 CFEDMO CC(C)COC[C@@H]([NH2+]CCCC#N)c1ccco1 ZINC000184179773 381381961 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1 1 264.756 2.680 20 30 CFEDMO C=C(CC)C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344074726 382110861 /nfs/dbraw/zinc/11/08/61/382110861.db2.gz QSYJLJIKMXQZGH-UHFFFAOYSA-N 1 1 258.365 2.973 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000357327880 382111227 /nfs/dbraw/zinc/11/12/27/382111227.db2.gz VFOJEUJDYFYKRW-GFCCVEGCSA-N 1 1 288.351 2.753 20 30 CFEDMO C[C@H]1OCC[C@@]12C[N@@H+](CCCCC(C)(C)C#N)C[C@@H](C)O2 ZINC000375923034 382111333 /nfs/dbraw/zinc/11/13/33/382111333.db2.gz YNLONDHWASLHDH-BFYDXBDKSA-N 1 1 294.439 2.975 20 30 CFEDMO N#CCSCCC[N@H+]1CCOc2c(F)cccc2C1 ZINC000375918043 382111482 /nfs/dbraw/zinc/11/14/82/382111482.db2.gz TUINILAXIHBCJX-UHFFFAOYSA-N 1 1 280.368 2.667 20 30 CFEDMO N#CCSCCC[N@@H+]1CCOc2c(F)cccc2C1 ZINC000375918043 382111490 /nfs/dbraw/zinc/11/14/90/382111490.db2.gz TUINILAXIHBCJX-UHFFFAOYSA-N 1 1 280.368 2.667 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCC[C@@](C)(O)CC2)cc1 ZINC000376018533 382114805 /nfs/dbraw/zinc/11/48/05/382114805.db2.gz JJRUJFKGZSAKOP-WMLDXEAASA-N 1 1 288.391 2.714 20 30 CFEDMO CC[C@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@]2(CCOC2)O1 ZINC000376021522 382116556 /nfs/dbraw/zinc/11/65/56/382116556.db2.gz MXQNSDVOYDUNHN-HOCLYGCPSA-N 1 1 280.412 2.586 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000376021596 382116907 /nfs/dbraw/zinc/11/69/07/382116907.db2.gz NYKFHVMADSCURA-INIZCTEOSA-N 1 1 280.412 2.586 20 30 CFEDMO C#CCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376166456 382123674 /nfs/dbraw/zinc/12/36/74/382123674.db2.gz LTJJZWXUJDMERQ-OAHLLOKOSA-N 1 1 299.418 2.633 20 30 CFEDMO N#Cc1cc(Cl)ccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000187021296 382077664 /nfs/dbraw/zinc/07/76/64/382077664.db2.gz SRPNALFKVZJTHA-YIONKMFJSA-N 1 1 276.767 2.699 20 30 CFEDMO N#Cc1cc(Cl)ccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000187021296 382077669 /nfs/dbraw/zinc/07/76/69/382077669.db2.gz SRPNALFKVZJTHA-YIONKMFJSA-N 1 1 276.767 2.699 20 30 CFEDMO CCC(CC)[N@@H+](CC)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000344034464 382083459 /nfs/dbraw/zinc/08/34/59/382083459.db2.gz RHYRZWQDNWXLIE-HNNXBMFYSA-N 1 1 267.417 2.551 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000375419322 382086859 /nfs/dbraw/zinc/08/68/59/382086859.db2.gz GBAMHWSNQQFVAT-UXLLHSPISA-N 1 1 294.439 2.568 20 30 CFEDMO C#CCNC(=O)CC[N@H+](CC)[C@@H](C)c1cc2ccccc2o1 ZINC000293450938 382127002 /nfs/dbraw/zinc/12/70/02/382127002.db2.gz KOZKNRLQDKYTQF-AWEZNQCLSA-N 1 1 298.386 2.955 20 30 CFEDMO CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@](C)(C#N)CC ZINC000351965584 382097889 /nfs/dbraw/zinc/09/78/89/382097889.db2.gz UISPHTDMKGBHHX-ZBFHGGJFSA-N 1 1 279.428 2.697 20 30 CFEDMO Cc1cc(C[NH2+][C@@H]2CCCc3cc(C#N)ccc32)nn1C ZINC000418150038 382127575 /nfs/dbraw/zinc/12/75/75/382127575.db2.gz VSKOPXCHAHHYIY-QGZVFWFLSA-N 1 1 280.375 2.767 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccnc1C#N ZINC000357458098 382180263 /nfs/dbraw/zinc/18/02/63/382180263.db2.gz XMQODLUALBKOOF-KDOFPFPSSA-N 1 1 292.386 2.886 20 30 CFEDMO C=CC[C@H](CC)NC(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000376389905 382134606 /nfs/dbraw/zinc/13/46/06/382134606.db2.gz YWYUFAISSVUVRU-HNNXBMFYSA-N 1 1 281.444 2.714 20 30 CFEDMO C=C(CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000376572365 382148675 /nfs/dbraw/zinc/14/86/75/382148675.db2.gz GAUCJMIFVCLJGC-DLBZAZTESA-N 1 1 299.418 2.626 20 30 CFEDMO C[N@@H+](C[C@H]1CC12CCN(c1ccc(C#N)cn1)CC2)C1CC1 ZINC000362614179 382173307 /nfs/dbraw/zinc/17/33/07/382173307.db2.gz FFELASJZPZGGEN-OAHLLOKOSA-N 1 1 296.418 2.654 20 30 CFEDMO CC[C@]1(C)CC[N@H+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000344214529 382203907 /nfs/dbraw/zinc/20/39/07/382203907.db2.gz IRQNBXHUPDSDFH-FUHWJXTLSA-N 1 1 297.402 2.786 20 30 CFEDMO CC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000344214915 382204568 /nfs/dbraw/zinc/20/45/68/382204568.db2.gz HBPUVYRIMGPPKB-NUEKZKHPSA-N 1 1 279.428 2.551 20 30 CFEDMO C[C@@H](CN1CCCCCC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000187568502 382211654 /nfs/dbraw/zinc/21/16/54/382211654.db2.gz JKISNLTYRYIFQT-HNNXBMFYSA-N 1 1 271.408 2.912 20 30 CFEDMO Cc1ccc2nc(C[NH2+]Cc3cc(C#N)cs3)cn2c1 ZINC000344228589 382214035 /nfs/dbraw/zinc/21/40/35/382214035.db2.gz VFIFSFZVPVHBPE-UHFFFAOYSA-N 1 1 282.372 2.866 20 30 CFEDMO C=CCOCC[N@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000293656349 382218533 /nfs/dbraw/zinc/21/85/33/382218533.db2.gz YHXZKLDVANSXGD-UHFFFAOYSA-N 1 1 261.365 2.862 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000302227062 382221840 /nfs/dbraw/zinc/22/18/40/382221840.db2.gz WPBBMDWCMITHJI-GFCCVEGCSA-N 1 1 288.351 2.753 20 30 CFEDMO N#Cc1csc(CNc2[nH]c3ccc(F)cc3[nH+]2)c1 ZINC000362647542 382186504 /nfs/dbraw/zinc/18/65/04/382186504.db2.gz FSJTVQPRLFRCCE-UHFFFAOYSA-N 1 1 272.308 2.669 20 30 CFEDMO C[N@H+]1CC[C@@H](CNc2cnc(C#N)cn2)[C@@H]1c1cccs1 ZINC000376909438 382189666 /nfs/dbraw/zinc/18/96/66/382189666.db2.gz DDSUVEVQHYLCFE-XHDPSFHLSA-N 1 1 299.403 2.515 20 30 CFEDMO N#CCCOCC[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000419297893 382277100 /nfs/dbraw/zinc/27/71/00/382277100.db2.gz GXRAFKJEGLXVBH-HNNXBMFYSA-N 1 1 294.345 2.902 20 30 CFEDMO CC[C@@H]1CCCC[N@H+]1CCNc1ccc(C)c(C#N)n1 ZINC000302630290 382281063 /nfs/dbraw/zinc/28/10/63/382281063.db2.gz IYMKLFGOIJTBRC-CQSZACIVSA-N 1 1 272.396 2.938 20 30 CFEDMO C=CC[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000352362358 382290719 /nfs/dbraw/zinc/29/07/19/382290719.db2.gz ODRFJERCQVOUHO-KRWDZBQOSA-N 1 1 286.419 2.776 20 30 CFEDMO C#CCNC(=O)CC[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000293735419 382255961 /nfs/dbraw/zinc/25/59/61/382255961.db2.gz ZQJFRTZKMIHDKY-WBVHZDCISA-N 1 1 284.403 2.599 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)C1=O ZINC000419338357 382291120 /nfs/dbraw/zinc/29/11/20/382291120.db2.gz SGNMUTKFJJTVCJ-KKUMJFAQSA-N 1 1 278.440 2.920 20 30 CFEDMO CC[N@@H+](C[C@@H](O)CSC)[C@@H](C)c1ccc(C#N)cc1 ZINC000187756094 382262812 /nfs/dbraw/zinc/26/28/12/382262812.db2.gz LNCRDTRVSYJPNQ-SWLSCSKDSA-N 1 1 278.421 2.665 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)N1[C@H](C)C[N@@H+](CC)C[C@@H]1C ZINC000344438502 382264270 /nfs/dbraw/zinc/26/42/70/382264270.db2.gz WXOTUQNSGIJCCX-MCIONIFRSA-N 1 1 252.402 2.530 20 30 CFEDMO C=C(CC)C[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000419268065 382264239 /nfs/dbraw/zinc/26/42/39/382264239.db2.gz LIVYFAQAQFKJMJ-LBPRGKRZSA-N 1 1 297.196 2.531 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@H](Cc2nnc3ccccn32)C1 ZINC000364144265 382273014 /nfs/dbraw/zinc/27/30/14/382273014.db2.gz ZSAWATQWEPQPRO-CQSZACIVSA-N 1 1 270.380 2.560 20 30 CFEDMO Cc1ccc(N(C)CC[C@H]2CCCC[N@H+]2C)nc1C#N ZINC000302598579 382275097 /nfs/dbraw/zinc/27/50/97/382275097.db2.gz BRSYXUGAHYOYKA-CQSZACIVSA-N 1 1 272.396 2.572 20 30 CFEDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cccc(C#N)c1 ZINC000352386040 382302538 /nfs/dbraw/zinc/30/25/38/382302538.db2.gz RBFRLHXJXGFWIJ-ZDUSSCGKSA-N 1 1 288.395 2.800 20 30 CFEDMO C[C@@H]1C[N@H+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)[C@H]1C ZINC000419373636 382303281 /nfs/dbraw/zinc/30/32/81/382303281.db2.gz ONPHCDZAPTVWQM-XJIUQZFPSA-N 1 1 297.402 2.640 20 30 CFEDMO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+](C)CCCc1ccccc1 ZINC000345774500 382312005 /nfs/dbraw/zinc/31/20/05/382312005.db2.gz AAXCWNSWXHBIQA-HNNXBMFYSA-N 1 1 299.418 2.502 20 30 CFEDMO CCCC[C@H](C)[N@@H+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000352405431 382312098 /nfs/dbraw/zinc/31/20/98/382312098.db2.gz AQQVVHAEPYGDDK-AWEZNQCLSA-N 1 1 287.407 2.685 20 30 CFEDMO CCC[N@@H+](CC)C[C@H](C)Nc1cc(C#N)cc(C)n1 ZINC000357776123 382314304 /nfs/dbraw/zinc/31/43/04/382314304.db2.gz STFBTCXXDOAKNA-ZDUSSCGKSA-N 1 1 260.385 2.794 20 30 CFEDMO CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000377671809 382315540 /nfs/dbraw/zinc/31/55/40/382315540.db2.gz KQLJKUYRRRUDSI-INIZCTEOSA-N 1 1 276.355 2.538 20 30 CFEDMO C[C@H](C#N)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000345819646 382316022 /nfs/dbraw/zinc/31/60/22/382316022.db2.gz SBZKBMIMPUDBPL-CABCVRRESA-N 1 1 299.418 2.837 20 30 CFEDMO C[C@H](C#N)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000345820607 382316404 /nfs/dbraw/zinc/31/64/04/382316404.db2.gz USYKGVXXTWKLAG-HUUCEWRRSA-N 1 1 299.418 2.694 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@H+](C)[C@H](C)CCCC ZINC000352414798 382319022 /nfs/dbraw/zinc/31/90/22/382319022.db2.gz KKQZWMSKEGVOJV-CQSZACIVSA-N 1 1 252.402 2.698 20 30 CFEDMO Cn1cc(C[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)cc1C#N ZINC000293885397 382321148 /nfs/dbraw/zinc/32/11/48/382321148.db2.gz DKLDPFVTXVFRAV-LSDHHAIUSA-N 1 1 257.381 2.907 20 30 CFEDMO C[C@H]1CC[C@@](CO)([N@@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC000188029660 382329329 /nfs/dbraw/zinc/32/93/29/382329329.db2.gz QMWMSMOHNBHUNP-BLLLJJGKSA-N 1 1 276.355 2.680 20 30 CFEDMO N#Cc1cccc(C#N)c1NCCc1cn2c([nH+]1)CCCC2 ZINC000302852513 382334129 /nfs/dbraw/zinc/33/41/29/382334129.db2.gz QEUJXEBJDMCBEO-UHFFFAOYSA-N 1 1 291.358 2.617 20 30 CFEDMO Cn1cc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)cc1C#N ZINC000377835489 382353637 /nfs/dbraw/zinc/35/36/37/382353637.db2.gz UKHZQGPAMJOTHP-HUUCEWRRSA-N 1 1 287.407 2.535 20 30 CFEDMO N#Cc1c(C[N@H+](CCCCO)C2CC2)cn2ccccc12 ZINC000304224667 382379087 /nfs/dbraw/zinc/37/90/87/382379087.db2.gz GAWVOBHRVBMFLS-UHFFFAOYSA-N 1 1 283.375 2.548 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cccc(Cl)c1Cl ZINC000294017749 382379377 /nfs/dbraw/zinc/37/93/77/382379377.db2.gz QEQSVTISSDBOOC-UHFFFAOYSA-N 1 1 299.201 2.678 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 ZINC000365376391 382383455 /nfs/dbraw/zinc/38/34/55/382383455.db2.gz BPXHYNQKZRAJMU-KBPBESRZSA-N 1 1 280.412 2.894 20 30 CFEDMO C#CC[N@H+](CCCCCO)[C@H]1CCc2ccccc21 ZINC000304293485 382388671 /nfs/dbraw/zinc/38/86/71/382388671.db2.gz DNYOGRKVSCAYCA-KRWDZBQOSA-N 1 1 257.377 2.772 20 30 CFEDMO CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)CC(C)C ZINC000346596011 382429625 /nfs/dbraw/zinc/42/96/25/382429625.db2.gz SOSKFCKECVPHLV-UHFFFAOYSA-N 1 1 287.407 2.542 20 30 CFEDMO C=CCCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000365741572 382436071 /nfs/dbraw/zinc/43/60/71/382436071.db2.gz FIPBETAEBIVGCO-ZWKOTPCHSA-N 1 1 298.430 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299.418 2.505 20 30 CFEDMO CN1CC[C@@H]2C[N@@H+](Cc3cccc(OCCCC#N)c3)C[C@@H]21 ZINC000449517825 383351665 /nfs/dbraw/zinc/35/16/65/383351665.db2.gz LMKCRBCTQPESBF-AEFFLSMTSA-N 1 1 299.418 2.505 20 30 CFEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1c[nH]c(-c2ccccc2)n1 ZINC000449547459 383354663 /nfs/dbraw/zinc/35/46/63/383354663.db2.gz ICIQTLGAKRQUGQ-CVEARBPZSA-N 1 1 283.375 2.900 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000449664295 383359537 /nfs/dbraw/zinc/35/95/37/383359537.db2.gz BGIVNSVBOMTEIK-GHMZBOCLSA-N 1 1 278.318 2.561 20 30 CFEDMO C=CCC[C@H]([NH2+]C[C@H]1CCO[C@H](CC)C1)C(=O)OCC ZINC000449658055 383360197 /nfs/dbraw/zinc/36/01/97/383360197.db2.gz RYNJHMZSCVQWKG-ZNMIVQPWSA-N 1 1 283.412 2.679 20 30 CFEDMO Cc1ccc(NC[C@H]2CCCC[N@@H+]2CC(C)C)nc1C#N ZINC000468716831 383362916 /nfs/dbraw/zinc/36/29/16/383362916.db2.gz LOJLXDZBTQNGEY-OAHLLOKOSA-N 1 1 286.423 2.606 20 30 CFEDMO C=CCC1(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCCC1 ZINC000449802962 383365941 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/nfs/dbraw/zinc/50/39/11/383503911.db2.gz AMONSWYLOKJRHX-QLFBSQMISA-N 1 1 263.429 2.588 20 30 CFEDMO C[C@H]1C[C@H]1N1CC[N@@H+](CCC(C)(C)C#N)C[C@@H](C)C1 ZINC000428988231 383503914 /nfs/dbraw/zinc/50/39/14/383503914.db2.gz AMONSWYLOKJRHX-QLFBSQMISA-N 1 1 263.429 2.588 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@H](CSC)C1 ZINC000429278553 383508459 /nfs/dbraw/zinc/50/84/59/383508459.db2.gz YGYPPODLHFGOLQ-GJZGRUSLSA-N 1 1 296.480 2.651 20 30 CFEDMO CC[C@@H]1CC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000429287851 383510373 /nfs/dbraw/zinc/51/03/73/383510373.db2.gz VTVACEOITNDFCY-MRXNPFEDSA-N 1 1 280.375 2.943 20 30 CFEDMO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1CCC(C)(C)C#N ZINC000429364750 383524662 /nfs/dbraw/zinc/52/46/62/383524662.db2.gz SVMVIAJQUQKPFU-ZIAGYGMSSA-N 1 1 293.455 2.894 20 30 CFEDMO C[C@@H]1CN(CCC(C)(C)C#N)CC[N@H+](C2CCC2)C1 ZINC000429370556 383525188 /nfs/dbraw/zinc/52/51/88/383525188.db2.gz VUGWVDSTFIRXTM-CQSZACIVSA-N 1 1 263.429 2.732 20 30 CFEDMO C=CCC(C)(C)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000429829734 383572633 /nfs/dbraw/zinc/57/26/33/383572633.db2.gz OKPNOOFOSAUMAW-ZDUSSCGKSA-N 1 1 252.402 2.579 20 30 CFEDMO CC#CCCCC(=O)N(CC)C[C@H]1CCC[N@H+]1CC ZINC000570146902 383575773 /nfs/dbraw/zinc/57/57/73/383575773.db2.gz AIXXJRHEDLLYBO-OAHLLOKOSA-N 1 1 264.413 2.513 20 30 CFEDMO CCOC(=O)CC(C)(C)[N@@H+](C)Cc1cccc(C#N)c1F ZINC000341129603 383576554 /nfs/dbraw/zinc/57/65/54/383576554.db2.gz QHXJAWSKGCYOCB-UHFFFAOYSA-N 1 1 292.354 2.861 20 30 CFEDMO Cc1cc(C[N@@H+](C)CC[C@@H]2CCCO2)ccc1C#N ZINC000488978239 383588156 /nfs/dbraw/zinc/58/81/56/383588156.db2.gz KHRAHIKEFXOQBP-INIZCTEOSA-N 1 1 258.365 2.868 20 30 CFEDMO C=CC[N@H+](CCC#N)C[C@H](C)CC1CCOCC1 ZINC000430099496 383588958 /nfs/dbraw/zinc/58/89/58/383588958.db2.gz LOVYJYFNYACPRC-CQSZACIVSA-N 1 1 250.386 2.841 20 30 CFEDMO CC[C@]1(C)C[N@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000488977498 383589094 /nfs/dbraw/zinc/58/90/94/383589094.db2.gz MBEHJIVJPKPCLA-MRXNPFEDSA-N 1 1 258.365 2.868 20 30 CFEDMO CC[C@]1(C)C[N@@H+](Cc2ccc(C#N)c(C)c2)CCO1 ZINC000488977498 383589095 /nfs/dbraw/zinc/58/90/95/383589095.db2.gz MBEHJIVJPKPCLA-MRXNPFEDSA-N 1 1 258.365 2.868 20 30 CFEDMO COC(=O)[C@H]1CC[N@@H+](CC(C)(C)CCC#N)[C@H]1C(C)C ZINC000430129695 383589439 /nfs/dbraw/zinc/58/94/39/383589439.db2.gz VGQCCMWYSORBMI-KBPBESRZSA-N 1 1 280.412 2.836 20 30 CFEDMO C=CCOc1ccccc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430114697 383589471 /nfs/dbraw/zinc/58/94/71/383589471.db2.gz DQPKTQMZXBTHHM-GOSISDBHSA-N 1 1 286.419 2.779 20 30 CFEDMO C=CCOc1ccc(C[N@H+](CCC)CC(N)=O)cc1Cl ZINC000430169182 383591084 /nfs/dbraw/zinc/59/10/84/383591084.db2.gz SWSUQCKNTLXLMJ-UHFFFAOYSA-N 1 1 296.798 2.602 20 30 CFEDMO C=CCOc1ccc(C[N@@H+](CCC)CC(N)=O)cc1Cl ZINC000430169182 383591088 /nfs/dbraw/zinc/59/10/88/383591088.db2.gz SWSUQCKNTLXLMJ-UHFFFAOYSA-N 1 1 296.798 2.602 20 30 CFEDMO C=CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430210323 383591357 /nfs/dbraw/zinc/59/13/57/383591357.db2.gz CUEXFNIWWGIBRR-UHFFFAOYSA-N 1 1 262.309 2.754 20 30 CFEDMO C=CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430210323 383591362 /nfs/dbraw/zinc/59/13/62/383591362.db2.gz CUEXFNIWWGIBRR-UHFFFAOYSA-N 1 1 262.309 2.754 20 30 CFEDMO C=CCCCC[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000528639241 383595113 /nfs/dbraw/zinc/59/51/13/383595113.db2.gz LBERMLGWZQYTPH-HNNXBMFYSA-N 1 1 267.413 2.596 20 30 CFEDMO Cc1c([C@@H](C)[NH2+]CC2(CC#N)CC2)nnn1-c1ccccc1 ZINC000430749125 383598560 /nfs/dbraw/zinc/59/85/60/383598560.db2.gz TYWOGIVTHZKHJX-CYBMUJFWSA-N 1 1 295.390 2.920 20 30 CFEDMO C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C#N)c1 ZINC000422965637 532995129 /nfs/dbraw/zinc/99/51/29/532995129.db2.gz PBNBYHJVKKAPAC-KDOFPFPSSA-N 1 1 279.387 2.606 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)Cc1nc2ccccc2n1C ZINC000429719245 383562577 /nfs/dbraw/zinc/56/25/77/383562577.db2.gz GSKARNHWJOLGLY-UHFFFAOYSA-N 1 1 286.423 2.513 20 30 CFEDMO CC1(C)CCC[N@H+]1CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000450952474 383566193 /nfs/dbraw/zinc/56/61/93/383566193.db2.gz UCRSSEKWHLGANK-UHFFFAOYSA-N 1 1 288.351 2.753 20 30 CFEDMO C[C@H]1C[C@H]1[N@H+]1CCN(c2ccc(C#N)cc2)C[C@@H](C)C1 ZINC000488713982 383569550 /nfs/dbraw/zinc/56/95/50/383569550.db2.gz MOKADHBVGVAKDL-JKIFEVAISA-N 1 1 269.392 2.725 20 30 CFEDMO CCO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2OC)C[C@H]1C ZINC000451546485 383641517 /nfs/dbraw/zinc/64/15/17/383641517.db2.gz SEESKVVDCZSQTJ-CZUORRHYSA-N 1 1 288.391 2.814 20 30 CFEDMO C[C@H](CCC#N)[N@@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000570683403 383625426 /nfs/dbraw/zinc/62/54/26/383625426.db2.gz UQSIRMAMQCABPI-ZBFHGGJFSA-N 1 1 258.365 2.926 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000570683403 383625428 /nfs/dbraw/zinc/62/54/28/383625428.db2.gz UQSIRMAMQCABPI-ZBFHGGJFSA-N 1 1 258.365 2.926 20 30 CFEDMO CC(C)[C@@H]1CN(C(=O)[C@H](C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000529802260 383755575 /nfs/dbraw/zinc/75/55/75/383755575.db2.gz GALWMBCDPYGQKI-WBVHZDCISA-N 1 1 299.418 2.515 20 30 CFEDMO C=CCCCN(Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435721036 383779228 /nfs/dbraw/zinc/77/92/28/383779228.db2.gz ATBFQVPKGRMORM-AWEZNQCLSA-N 1 1 279.453 2.829 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433300080 383759287 /nfs/dbraw/zinc/75/92/87/383759287.db2.gz DDLPZZAGYIOEIQ-JSGCOSHPSA-N 1 1 292.810 2.820 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000433300080 383759291 /nfs/dbraw/zinc/75/92/91/383759291.db2.gz DDLPZZAGYIOEIQ-JSGCOSHPSA-N 1 1 292.810 2.820 20 30 CFEDMO CC(CN(C)CC(C)(C)C#N)C[N@@H+](C)CC(C)(C)C#N ZINC000433313173 383760058 /nfs/dbraw/zinc/76/00/58/383760058.db2.gz OYCWHDXWKRQEEL-UHFFFAOYSA-N 1 1 278.444 2.586 20 30 CFEDMO CCN(CCC#N)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000433316579 383760299 /nfs/dbraw/zinc/76/02/99/383760299.db2.gz GIYKKFJKIWITBW-OAHLLOKOSA-N 1 1 277.412 2.546 20 30 CFEDMO CCOc1ccccc1OCC[N@H+](C)CC(C)(C)C#N ZINC000433312052 383760645 /nfs/dbraw/zinc/76/06/45/383760645.db2.gz PFIFYASTAVZZOK-UHFFFAOYSA-N 1 1 276.380 2.946 20 30 CFEDMO CCOc1ccccc1OCC[N@@H+](C)CC(C)(C)C#N ZINC000433312052 383760648 /nfs/dbraw/zinc/76/06/48/383760648.db2.gz PFIFYASTAVZZOK-UHFFFAOYSA-N 1 1 276.380 2.946 20 30 CFEDMO CCOC(=O)CCCCC[N@@H+](C)CC(C)(C)C#N ZINC000433329616 383761978 /nfs/dbraw/zinc/76/19/78/383761978.db2.gz YUQWSLXNLSTMQF-UHFFFAOYSA-N 1 1 254.374 2.591 20 30 CFEDMO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000530021991 383763549 /nfs/dbraw/zinc/76/35/49/383763549.db2.gz GMRPWJUDQMAGKK-CQSZACIVSA-N 1 1 264.413 2.722 20 30 CFEDMO C=CCCC[C@H](C)[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000434702796 383770619 /nfs/dbraw/zinc/77/06/19/383770619.db2.gz NPBYOAINLQUUGI-HRCADAONSA-N 1 1 268.445 2.772 20 30 CFEDMO Cn1c2cc(F)ccc2[nH+]c1NCC1CCC(C#N)CC1 ZINC000431424576 383670449 /nfs/dbraw/zinc/67/04/49/383670449.db2.gz YLYDUWGTCIVGLK-UHFFFAOYSA-N 1 1 286.354 2.876 20 30 CFEDMO COCC[N@H+](Cc1ccc(C#N)cn1)C[C@H]1CC=CCC1 ZINC000571222168 383674032 /nfs/dbraw/zinc/67/40/32/383674032.db2.gz CXFVWDHZMQTLRA-HNNXBMFYSA-N 1 1 285.391 2.758 20 30 CFEDMO C=CCNC(=O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC000646013601 383819951 /nfs/dbraw/zinc/81/99/51/383819951.db2.gz GPJVQZFCMAQGSZ-QGZVFWFLSA-N 1 1 290.382 2.525 20 30 CFEDMO N#CC1(C[NH+]2CCC(Nc3ccccn3)CC2)CCC1 ZINC000572949753 383845103 /nfs/dbraw/zinc/84/51/03/383845103.db2.gz WGZUNBGNIHLKDS-UHFFFAOYSA-N 1 1 270.380 2.652 20 30 CFEDMO C=C(C)CN(CC)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640614396 383846758 /nfs/dbraw/zinc/84/67/58/383846758.db2.gz UNOWJNPHJRPZNC-UHFFFAOYSA-N 1 1 276.384 2.573 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000640614706 383848313 /nfs/dbraw/zinc/84/83/13/383848313.db2.gz BJPFFRSNTIDSHV-GFCCVEGCSA-N 1 1 276.384 2.619 20 30 CFEDMO CC[C@@H](O)[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1F ZINC000265163864 383849013 /nfs/dbraw/zinc/84/90/13/383849013.db2.gz CGJKRXHSFWQLIA-HZPDHXFCSA-N 1 1 276.355 2.823 20 30 CFEDMO C=CCNC(=O)C[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646116802 383879958 /nfs/dbraw/zinc/87/99/58/383879958.db2.gz GDMXJTCTSCKNHD-QGZVFWFLSA-N 1 1 282.387 2.682 20 30 CFEDMO C=CCNC(=O)C[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000646116802 383879967 /nfs/dbraw/zinc/87/99/67/383879967.db2.gz GDMXJTCTSCKNHD-QGZVFWFLSA-N 1 1 282.387 2.682 20 30 CFEDMO COC1CCC([N@@H+](C)Cc2ccccc2C#N)CC1 ZINC000265170770 383852065 /nfs/dbraw/zinc/85/20/65/383852065.db2.gz BKBMHXXYRXGSFQ-UHFFFAOYSA-N 1 1 258.365 2.948 20 30 CFEDMO CC#CCC[N@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000646074449 383852365 /nfs/dbraw/zinc/85/23/65/383852365.db2.gz XVGBAJNBZOCMLT-ZWKOTPCHSA-N 1 1 271.404 2.858 20 30 CFEDMO C=C(C)CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437778621 383909438 /nfs/dbraw/zinc/90/94/38/383909438.db2.gz VHVOGYWPRXPTNH-HNNXBMFYSA-N 1 1 279.428 2.659 20 30 CFEDMO C=C[C@](C)(CCOC)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000437864151 383914963 /nfs/dbraw/zinc/91/49/63/383914963.db2.gz IQZYKIKTASBZPM-QGZVFWFLSA-N 1 1 296.455 2.596 20 30 CFEDMO CC[C@@H]1CCCC[N@H+]1CCNc1cccc(C#N)n1 ZINC000265505644 383934854 /nfs/dbraw/zinc/93/48/54/383934854.db2.gz JECRGXSLAJCKMH-CQSZACIVSA-N 1 1 258.369 2.630 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@@H+](CCC)Cc1ccccc1 ZINC000265765580 383994243 /nfs/dbraw/zinc/99/42/43/383994243.db2.gz HISZVGPOUDTQGE-AWEZNQCLSA-N 1 1 260.381 2.589 20 30 CFEDMO N#Cc1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1 ZINC000532244227 384000317 /nfs/dbraw/zinc/00/03/17/384000317.db2.gz IZISSYMEPVTDER-AWEZNQCLSA-N 1 1 298.308 2.693 20 30 CFEDMO C[C@@H](SC[C@H]1C[N@H+](C)CCO1)c1ccc(C#N)cc1 ZINC000573682411 383972428 /nfs/dbraw/zinc/97/24/28/383972428.db2.gz XNLOWCMGRRVQBI-IUODEOHRSA-N 1 1 276.405 2.683 20 30 CFEDMO C[C@@H](SC[C@H]1C[N@@H+](C)CCO1)c1ccc(C#N)cc1 ZINC000573682411 383972432 /nfs/dbraw/zinc/97/24/32/383972432.db2.gz XNLOWCMGRRVQBI-IUODEOHRSA-N 1 1 276.405 2.683 20 30 CFEDMO C=C(CC)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000573923467 384014384 /nfs/dbraw/zinc/01/43/84/384014384.db2.gz HHAVMZQNJDASOE-UHFFFAOYSA-N 1 1 252.402 2.723 20 30 CFEDMO C=CCCC(C)(C)CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000637620684 384137285 /nfs/dbraw/zinc/13/72/85/384137285.db2.gz 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393578072 /nfs/dbraw/zinc/57/80/72/393578072.db2.gz USSFEDRBHUBEHB-QGZVFWFLSA-N 1 1 299.418 2.781 20 30 CFEDMO CCC(CC)NC(=O)[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518468 393580915 /nfs/dbraw/zinc/58/09/15/393580915.db2.gz YULIDSRVCRBKMW-ZDUSSCGKSA-N 1 1 287.407 2.683 20 30 CFEDMO CCC(CC)NC(=O)[C@H](C)[N@@H+](C)Cc1cccc(C#N)c1 ZINC000046518468 393580918 /nfs/dbraw/zinc/58/09/18/393580918.db2.gz YULIDSRVCRBKMW-ZDUSSCGKSA-N 1 1 287.407 2.683 20 30 CFEDMO CC(C)(C#N)CC[N@@H+]1CCOc2ccc(F)cc2C1 ZINC000334286438 393588911 /nfs/dbraw/zinc/58/89/11/393588911.db2.gz CIFBQSTZRCRFOM-UHFFFAOYSA-N 1 1 262.328 2.960 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCOc2ccc(F)cc2C1 ZINC000334286438 393588915 /nfs/dbraw/zinc/58/89/15/393588915.db2.gz CIFBQSTZRCRFOM-UHFFFAOYSA-N 1 1 262.328 2.960 20 30 CFEDMO C[C@@H]1COCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000334288352 393589938 /nfs/dbraw/zinc/58/99/38/393589938.db2.gz YXGKNFSNMBDRRT-ZDUSSCGKSA-N 1 1 263.768 2.660 20 30 CFEDMO C[C@@H]1COCC[N@@H+](CC#Cc2cccc(Cl)c2)C1 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C=CC[N@@H+](CCOC)CCC1(C#N)CCCCC1 ZINC000411628819 393732363 /nfs/dbraw/zinc/73/23/63/393732363.db2.gz YPQQCBMDKAXCKK-UHFFFAOYSA-N 1 1 250.386 2.985 20 30 CFEDMO CCC[N@H+](CCC(C)(C)C#N)[C@@H](C)C(=O)OCC ZINC000411643754 393733324 /nfs/dbraw/zinc/73/33/24/393733324.db2.gz GFFKLXDRCIBWEW-LBPRGKRZSA-N 1 1 254.374 2.590 20 30 CFEDMO CCC[N@@H+](CCC(C)(C)C#N)[C@@H](C)C(=O)OCC ZINC000411643754 393733328 /nfs/dbraw/zinc/73/33/28/393733328.db2.gz GFFKLXDRCIBWEW-LBPRGKRZSA-N 1 1 254.374 2.590 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)Cc1ncc(C)c(OC)c1C ZINC000411645734 393734041 /nfs/dbraw/zinc/73/40/41/393734041.db2.gz UHWAGUSJGRENPZ-UHFFFAOYSA-N 1 1 291.439 2.647 20 30 CFEDMO C[C@@H]1[C@@H](CO)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411657574 393735989 /nfs/dbraw/zinc/73/59/89/393735989.db2.gz UNBNWBLJBXKKHI-ZIAGYGMSSA-N 1 1 250.386 2.553 20 30 CFEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cc[nH]n1 ZINC000336544112 393740176 /nfs/dbraw/zinc/74/01/76/393740176.db2.gz ISDGYVDMCLCBSG-INIZCTEOSA-N 1 1 266.348 2.839 20 30 CFEDMO Cn1c2ccccc2nc1C[N@@H+](C)CCCCC#N ZINC000083242917 393742224 /nfs/dbraw/zinc/74/22/24/393742224.db2.gz DEWYXXWZVYXWTF-UHFFFAOYSA-N 1 1 256.353 2.699 20 30 CFEDMO CC[C@H](C)[N@@H+](C)CCNc1cccc(C#N)c1[N+](=O)[O-] ZINC000221573491 393762081 /nfs/dbraw/zinc/76/20/81/393762081.db2.gz CHTAGIPVKRHRBH-NSHDSACASA-N 1 1 276.340 2.609 20 30 CFEDMO C[C@H]1C[C@@H](CO)CC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411737447 393743890 /nfs/dbraw/zinc/74/38/90/393743890.db2.gz PUUISLGTPRWVLM-GJZGRUSLSA-N 1 1 264.413 2.943 20 30 CFEDMO C[C@H]1[C@H](CO)CCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000412073223 393762147 /nfs/dbraw/zinc/76/21/47/393762147.db2.gz HSSIWYQTVWMCSR-ZFWWWQNUSA-N 1 1 277.795 2.784 20 30 CFEDMO C[C@H]1[C@H](CO)CCC[N@H+]1CC#Cc1ccccc1Cl ZINC000412073223 393762148 /nfs/dbraw/zinc/76/21/48/393762148.db2.gz HSSIWYQTVWMCSR-ZFWWWQNUSA-N 1 1 277.795 2.784 20 30 CFEDMO CC#CC[N@@H+](C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000411775643 393746828 /nfs/dbraw/zinc/74/68/28/393746828.db2.gz YIDKQRGMLLUVHI-QGZVFWFLSA-N 1 1 284.403 2.525 20 30 CFEDMO C=CCCC[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000076734505 393691137 /nfs/dbraw/zinc/69/11/37/393691137.db2.gz GSNJYBGOOHKSCF-UHFFFAOYSA-N 1 1 271.364 2.785 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411924741 393758574 /nfs/dbraw/zinc/75/85/74/393758574.db2.gz MNXDVTJEBCFTPQ-LSDHHAIUSA-N 1 1 258.365 2.734 20 30 CFEDMO CC[N@@H+](CCNC(=O)Nc1ccc(F)c(C#N)c1)C(C)C ZINC000077444064 393698953 /nfs/dbraw/zinc/69/89/53/393698953.db2.gz PUXNQKUJKUBCAK-UHFFFAOYSA-N 1 1 292.358 2.549 20 30 CFEDMO C=CCNC(=O)C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411990780 393759794 /nfs/dbraw/zinc/75/97/94/393759794.db2.gz SVLURWDEBDOATI-MRXNPFEDSA-N 1 1 284.403 2.558 20 30 CFEDMO COCc1cccc(C[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000338354018 393783870 /nfs/dbraw/zinc/78/38/70/393783870.db2.gz TWJDEPSZGXBFKD-ZDUSSCGKSA-N 1 1 258.365 2.957 20 30 CFEDMO COCc1cccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000338354018 393783873 /nfs/dbraw/zinc/78/38/73/393783873.db2.gz 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/nfs/dbraw/zinc/80/37/38/393803738.db2.gz FKSOHEBEWNIZPE-HNNXBMFYSA-N 1 1 291.391 2.741 20 30 CFEDMO C=CCOCC[N@@H+](CC=C)Cc1cccc([N+](=O)[O-])c1 ZINC000338935225 393805367 /nfs/dbraw/zinc/80/53/67/393805367.db2.gz WDQZPAMACCZVHW-UHFFFAOYSA-N 1 1 276.336 2.785 20 30 CFEDMO C=CCOCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000338962698 393807306 /nfs/dbraw/zinc/80/73/06/393807306.db2.gz PQTZZIOMMIEYEK-AWEZNQCLSA-N 1 1 275.348 2.755 20 30 CFEDMO C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C[C@H]1C ZINC000245934332 393837902 /nfs/dbraw/zinc/83/79/02/393837902.db2.gz PVTVEFFJAWFFOE-ZIAGYGMSSA-N 1 1 285.391 2.865 20 30 CFEDMO CCC[N@@H+](CCOCCC#N)[C@@H]1C[C@H](OCC)C1(C)C ZINC000339004021 393809829 /nfs/dbraw/zinc/80/98/29/393809829.db2.gz PPOMDLNNWJPQBY-CABCVRRESA-N 1 1 282.428 2.832 20 30 CFEDMO CCc1cnc(N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)s1 ZINC000339006082 393810410 /nfs/dbraw/zinc/81/04/10/393810410.db2.gz RJULYHUGMNQEDI-STQMWFEESA-N 1 1 290.436 2.520 20 30 CFEDMO C=CCOCC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000339016864 393811311 /nfs/dbraw/zinc/81/13/11/393811311.db2.gz ZSJFGRBPQKHOQO-KRWDZBQOSA-N 1 1 275.392 2.523 20 30 CFEDMO C=CCOCC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000339051265 393814134 /nfs/dbraw/zinc/81/41/34/393814134.db2.gz ZBNVWUGKZKHFAH-CYBMUJFWSA-N 1 1 281.783 2.996 20 30 CFEDMO COCc1ccc(C[N@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000339052836 393814163 /nfs/dbraw/zinc/81/41/63/393814163.db2.gz ZAXCGLFGTKAXMM-ZDUSSCGKSA-N 1 1 258.365 2.957 20 30 CFEDMO COCc1ccc(C[N@@H+](C[C@@H](C)C#N)C2CC2)cc1 ZINC000339052836 393814170 /nfs/dbraw/zinc/81/41/70/393814170.db2.gz ZAXCGLFGTKAXMM-ZDUSSCGKSA-N 1 1 258.365 2.957 20 30 CFEDMO C[C@H](c1nccs1)N1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000339093481 393818262 /nfs/dbraw/zinc/81/82/62/393818262.db2.gz FTNUHAIHILFFPP-RDBSUJKOSA-N 1 1 290.436 2.514 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCC ZINC000345548608 393910476 /nfs/dbraw/zinc/91/04/76/393910476.db2.gz WHPNVFZFPFXKGS-KBPBESRZSA-N 1 1 254.418 2.825 20 30 CFEDMO C=CCC1(C(=O)N[C@H](C)C[N@H+](C)CCCC)CCC1 ZINC000345516801 393910507 /nfs/dbraw/zinc/91/05/07/393910507.db2.gz AICLURUNDZPQOC-CQSZACIVSA-N 1 1 266.429 2.969 20 30 CFEDMO C=CCCOCCCCC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000342865860 393872219 /nfs/dbraw/zinc/87/22/19/393872219.db2.gz HXBQCQLYTXKTRI-MRXNPFEDSA-N 1 1 296.455 2.550 20 30 CFEDMO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C#N)cn1 ZINC000425238892 393873533 /nfs/dbraw/zinc/87/35/33/393873533.db2.gz NCTOWVBBZGOHQQ-PBHICJAKSA-N 1 1 296.418 2.715 20 30 CFEDMO CCCC[N@@H+](C)CC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000343160738 393881411 /nfs/dbraw/zinc/88/14/11/393881411.db2.gz MWZUGBNTOPSAFH-UHFFFAOYSA-N 1 1 263.429 2.734 20 30 CFEDMO CCCC[N@H+](C)CC1CCN(CC2(C#N)CC2)CC1 ZINC000343160738 393881413 /nfs/dbraw/zinc/88/14/13/393881413.db2.gz MWZUGBNTOPSAFH-UHFFFAOYSA-N 1 1 263.429 2.734 20 30 CFEDMO CCCC[N@@H+](C)CC1CCN(CC2(C#N)CC2)CC1 ZINC000343160738 393881416 /nfs/dbraw/zinc/88/14/16/393881416.db2.gz 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CC(C)[C@H]1CN([C@@H](C)c2cccc(C#N)c2)CC[N@H+]1C ZINC000488161617 394036390 /nfs/dbraw/zinc/03/63/90/394036390.db2.gz BJYBIULJFDVJSB-WMLDXEAASA-N 1 1 271.408 2.891 20 30 CFEDMO CC(C)[C@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)CCN1C ZINC000488161617 394036393 /nfs/dbraw/zinc/03/63/93/394036393.db2.gz BJYBIULJFDVJSB-WMLDXEAASA-N 1 1 271.408 2.891 20 30 CFEDMO CC(C)[C@H]1C[N@H+]([C@@H](C)c2cccc(C#N)c2)CCN1C ZINC000488161617 394036397 /nfs/dbraw/zinc/03/63/97/394036397.db2.gz BJYBIULJFDVJSB-WMLDXEAASA-N 1 1 271.408 2.891 20 30 CFEDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000130337628 394109462 /nfs/dbraw/zinc/10/94/62/394109462.db2.gz BKJUZODRLKPENH-CVEARBPZSA-N 1 1 288.391 2.692 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282015670 394110554 /nfs/dbraw/zinc/11/05/54/394110554.db2.gz JXEYBVANMMNZKF-CQSZACIVSA-N 1 1 259.397 2.975 20 30 CFEDMO COCCCOCC[N@H+](C)Cc1ccc(C#N)cc1Cl ZINC000439455778 394115821 /nfs/dbraw/zinc/11/58/21/394115821.db2.gz VTBBNKOOUPNLQV-UHFFFAOYSA-N 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ZINC000360348202 394149482 /nfs/dbraw/zinc/14/94/82/394149482.db2.gz WPMYYNGFOGBCHG-ZDUSSCGKSA-N 1 1 281.197 2.855 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCC(C)(C)CCC#N ZINC000360427534 394151935 /nfs/dbraw/zinc/15/19/35/394151935.db2.gz VILLHVWNFUJPMM-CQSZACIVSA-N 1 1 279.428 2.697 20 30 CFEDMO CC#CCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000360439903 394152189 /nfs/dbraw/zinc/15/21/89/394152189.db2.gz ZPXXCTJTNSGEDK-UHFFFAOYSA-N 1 1 294.782 2.632 20 30 CFEDMO CC#CCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000360439903 394152191 /nfs/dbraw/zinc/15/21/91/394152191.db2.gz ZPXXCTJTNSGEDK-UHFFFAOYSA-N 1 1 294.782 2.632 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000360953789 394161976 /nfs/dbraw/zinc/16/19/76/394161976.db2.gz CBRPVUSYPJATKI-CWRNSKLLSA-N 1 1 260.381 2.792 20 30 CFEDMO CC(C)[N@@H+](Cc1cc(C#N)cs1)[C@H]1CCOC1 ZINC000361064987 394164164 /nfs/dbraw/zinc/16/41/64/394164164.db2.gz HMWKIIHZJFCHIR-LBPRGKRZSA-N 1 1 250.367 2.619 20 30 CFEDMO N#C[C@@H]1CCC[C@@H](Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)C1 ZINC000361077202 394164770 /nfs/dbraw/zinc/16/47/70/394164770.db2.gz GKWIATHQPCYEED-KYJSFNMBSA-N 1 1 299.418 2.747 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](CCO)CC2)c1 ZINC000421044639 394168390 /nfs/dbraw/zinc/16/83/90/394168390.db2.gz SUEDULNHQNMNGG-AWEZNQCLSA-N 1 1 258.365 2.543 20 30 CFEDMO C=CCC[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000287296154 394204371 /nfs/dbraw/zinc/20/43/71/394204371.db2.gz IUQRVKMHEOOHEW-LBPRGKRZSA-N 1 1 260.385 2.888 20 30 CFEDMO C=CCC[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000287296154 394204374 /nfs/dbraw/zinc/20/43/74/394204374.db2.gz IUQRVKMHEOOHEW-LBPRGKRZSA-N 1 1 260.385 2.888 20 30 CFEDMO C[N@H+]1CC[C@@H](CNc2ccncc2C#N)[C@H]1c1cccs1 ZINC000364372126 394206482 /nfs/dbraw/zinc/20/64/82/394206482.db2.gz QPBCEPLGTQFULV-LRDDRELGSA-N 1 1 298.415 2.542 20 30 CFEDMO CC[C@H]1C[N@@H+](CCOc2ccccc2C#N)CCS1 ZINC000135429313 394219550 /nfs/dbraw/zinc/21/95/50/394219550.db2.gz RLMKOKKZGZTOFJ-AWEZNQCLSA-N 1 1 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ZINC000292043253 394269905 /nfs/dbraw/zinc/26/99/05/394269905.db2.gz VKXZONUEZBTSQI-UHFFFAOYSA-N 1 1 284.407 2.716 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+](CCO)Cc1ccccc1 ZINC000153631227 394286958 /nfs/dbraw/zinc/28/69/58/394286958.db2.gz OYSLRMFBHMXIMJ-UHFFFAOYSA-N 1 1 296.370 2.561 20 30 CFEDMO COc1ccc(C#N)cc1C[N@@H+](CCO)Cc1ccccc1 ZINC000153631227 394286966 /nfs/dbraw/zinc/28/69/66/394286966.db2.gz OYSLRMFBHMXIMJ-UHFFFAOYSA-N 1 1 296.370 2.561 20 30 CFEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CCNC(=O)CC1 ZINC000294786023 394294739 /nfs/dbraw/zinc/29/47/39/394294739.db2.gz AYJWITCFVPXVNH-QGZVFWFLSA-N 1 1 299.418 2.685 20 30 CFEDMO N#CCCCC[N@@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000154304101 394295774 /nfs/dbraw/zinc/29/57/74/394295774.db2.gz GPILFNWDJUYPIK-AWEZNQCLSA-N 1 1 287.411 2.835 20 30 CFEDMO N#CCCCC[N@H+]1CCC[C@H]1c1nnc2n1CCCCC2 ZINC000154304101 394295776 /nfs/dbraw/zinc/29/57/76/394295776.db2.gz GPILFNWDJUYPIK-AWEZNQCLSA-N 1 1 287.411 2.835 20 30 CFEDMO CC(C)c1noc([C@@]23CCC[C@@H]2C[N@@H+](CCCC#N)C3)n1 ZINC000372271611 394309032 /nfs/dbraw/zinc/30/90/32/394309032.db2.gz BHNRGFCZNXFLIK-CZUORRHYSA-N 1 1 288.395 2.850 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1Cl ZINC000372256595 394309368 /nfs/dbraw/zinc/30/93/68/394309368.db2.gz UVYKRWXBDMVNQS-NSHDSACASA-N 1 1 251.761 2.542 20 30 CFEDMO CC(C)[N@H+]1CC[C@H](N(C)C(=O)/C=C\c2cccc(C#N)c2)C1 ZINC000493780657 394314845 /nfs/dbraw/zinc/31/48/45/394314845.db2.gz DKJVLZMWNIWWCO-QWPQOLDESA-N 1 1 297.402 2.513 20 30 CFEDMO CC#CCC[N@@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000155658883 394320842 /nfs/dbraw/zinc/32/08/42/394320842.db2.gz WLDWOHKMTUMZLR-CQSZACIVSA-N 1 1 272.396 2.555 20 30 CFEDMO CC#CCC[N@H+]1CCC[C@@H]1c1nnc2n1CCCCC2 ZINC000155658883 394320845 /nfs/dbraw/zinc/32/08/45/394320845.db2.gz WLDWOHKMTUMZLR-CQSZACIVSA-N 1 1 272.396 2.555 20 30 CFEDMO COc1ccc(C#N)cc1C[N@@H+](C)CCc1nccs1 ZINC000157473974 394345824 /nfs/dbraw/zinc/34/58/24/394345824.db2.gz MTKZDXJNSLFOHG-UHFFFAOYSA-N 1 1 287.388 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SSBPPMILUYLQFN-HUUCEWRRSA-N 1 1 293.374 2.966 20 30 CFEDMO COc1cc(C[N@@H+]2C[C@@H](C)OC3(CCC3)C2)ccc1C#N ZINC000520408362 394380809 /nfs/dbraw/zinc/38/08/09/394380809.db2.gz FKEAUWCHJPEATG-CYBMUJFWSA-N 1 1 286.375 2.710 20 30 CFEDMO COc1cc(C[N@H+]2C[C@@H](C)OC3(CCC3)C2)ccc1C#N ZINC000520408362 394380811 /nfs/dbraw/zinc/38/08/11/394380811.db2.gz FKEAUWCHJPEATG-CYBMUJFWSA-N 1 1 286.375 2.710 20 30 CFEDMO CCn1ccnc1C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000453303128 394383734 /nfs/dbraw/zinc/38/37/34/394383734.db2.gz AGGSOYWPZOXAGX-OAHLLOKOSA-N 1 1 266.348 2.552 20 30 CFEDMO CCC#C[C@H](C)[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000685053535 542890336 /nfs/dbraw/zinc/89/03/36/542890336.db2.gz KDBKIPAAQOKWLW-ZDUSSCGKSA-N 1 1 257.333 2.662 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000685053535 542890338 /nfs/dbraw/zinc/89/03/38/542890338.db2.gz KDBKIPAAQOKWLW-ZDUSSCGKSA-N 1 1 257.333 2.662 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+]2CCc3cc(F)ccc3[C@H]2C)C1=O ZINC000685001916 542885815 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CC[C@H]1CCC[N@H+]1Cc1cccc(C(=O)OC)c1C#N ZINC000535964915 394551026 /nfs/dbraw/zinc/55/10/26/394551026.db2.gz USZLRCUQFOATKA-ZDUSSCGKSA-N 1 1 272.348 2.719 20 30 CFEDMO C[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1cccc(C#N)c1 ZINC000538395609 394602793 /nfs/dbraw/zinc/60/27/93/394602793.db2.gz QMRCCTLLKJKIHF-KBPBESRZSA-N 1 1 257.381 2.551 20 30 CFEDMO C[C@H](NCC[N@H+]1CC[C@H](C)C1)c1cccc(C#N)c1 ZINC000538395609 394602797 /nfs/dbraw/zinc/60/27/97/394602797.db2.gz QMRCCTLLKJKIHF-KBPBESRZSA-N 1 1 257.381 2.551 20 30 CFEDMO CC(C)(C#N)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000538469358 394603692 /nfs/dbraw/zinc/60/36/92/394603692.db2.gz QNCOUXBIQCUMHQ-UHFFFAOYSA-N 1 1 273.336 2.893 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000538469358 394603696 /nfs/dbraw/zinc/60/36/96/394603696.db2.gz QNCOUXBIQCUMHQ-UHFFFAOYSA-N 1 1 273.336 2.893 20 30 CFEDMO COc1cc(C#N)ccc1C[NH2+][C@H](CO)c1ccccc1C ZINC000543839378 394745201 /nfs/dbraw/zinc/74/52/01/394745201.db2.gz JKKVOQPUCIGMGW-QGZVFWFLSA-N 1 1 296.370 2.699 20 30 CFEDMO C[N@@H+](CCCc1[nH]nc(N)c1C#N)CC1CCCCCC1 ZINC000545881850 394805733 /nfs/dbraw/zinc/80/57/33/394805733.db2.gz PVUQTRVVGXBOOZ-UHFFFAOYSA-N 1 1 289.427 2.529 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000546588972 394831200 /nfs/dbraw/zinc/83/12/00/394831200.db2.gz KERPIMKQYJBBRD-CZUORRHYSA-N 1 1 280.375 2.842 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ccncc2C#N)C1 ZINC000548154556 394914888 /nfs/dbraw/zinc/91/48/88/394914888.db2.gz LGXLLXRWFBMFQB-GASCZTMLSA-N 1 1 286.423 2.545 20 30 CFEDMO Cc1nc(N2CCC(C[N@H+](C)C(C)C)CC2)ccc1C#N ZINC000559000674 395080563 /nfs/dbraw/zinc/08/05/63/395080563.db2.gz PFNDFBKWSXAIAD-UHFFFAOYSA-N 1 1 286.423 2.818 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2)C1=O ZINC000285848230 542971170 /nfs/dbraw/zinc/97/11/70/542971170.db2.gz WYAHZGMPHXAMQS-XIRDDKMYSA-N 1 1 284.403 2.856 20 30 CFEDMO C=C(C)[C@H](CO)[NH+]1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000649332980 395474239 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395577612 /nfs/dbraw/zinc/57/76/12/395577612.db2.gz ITNXRGUAYZBSCK-QGZVFWFLSA-N 1 1 258.409 2.811 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CCC[C@@H](CC)C1 ZINC000042145652 397557013 /nfs/dbraw/zinc/55/70/13/397557013.db2.gz KVEUKZWAOGUFGO-LSDHHAIUSA-N 1 1 264.413 2.698 20 30 CFEDMO C=CC[N@H+](CC)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000372357311 397536391 /nfs/dbraw/zinc/53/63/91/397536391.db2.gz OKQNVKAOQVNZNU-MRXNPFEDSA-N 1 1 272.392 2.686 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000310113709 397646448 /nfs/dbraw/zinc/64/64/48/397646448.db2.gz RELCIYTYNABINE-LLVKDONJSA-N 1 1 251.292 2.732 20 30 CFEDMO C[C@@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000177544640 397609080 /nfs/dbraw/zinc/60/90/80/397609080.db2.gz CVAQCLXUFXTNQP-VYDXJSESSA-N 1 1 299.418 2.625 20 30 CFEDMO C=CCOCCC[N@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000348027731 397657612 /nfs/dbraw/zinc/65/76/12/397657612.db2.gz GDNTWNLECAVFIF-DZGCQCFKSA-N 1 1 255.402 2.715 20 30 CFEDMO C[C@H]([N@@H+](C)CC#Cc1cccc(Cl)c1)C(C)(C)O ZINC000295150204 397634572 /nfs/dbraw/zinc/63/45/72/397634572.db2.gz LYNRNIMDMFPDJC-LBPRGKRZSA-N 1 1 265.784 2.783 20 30 CFEDMO C[C@H]1CC[C@H]([N@@H+](CCO)Cc2cc(C#N)cs2)C1 ZINC000356373456 155243822 /nfs/dbraw/zinc/24/38/22/155243822.db2.gz VRZUXSPNIXUYEJ-AAEUAGOBSA-N 1 1 264.394 2.603 20 30 CFEDMO C[N@H+]1CCCC(C)(C)[C@@H]1CNc1nccc(C#N)c1Cl ZINC000343057019 154097913 /nfs/dbraw/zinc/09/79/13/154097913.db2.gz ZZFIADUECGLRQJ-LBPRGKRZSA-N 1 1 292.814 2.561 20 30 CFEDMO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)ccc1C#N ZINC000348203948 154360943 /nfs/dbraw/zinc/36/09/43/154360943.db2.gz CRACQJHSQJEARD-DYVFJYSZSA-N 1 1 270.376 2.866 20 30 CFEDMO CC(C)c1[nH+]ccn1Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000355447627 155012113 /nfs/dbraw/zinc/01/21/13/155012113.db2.gz MPMFQQKKFBOXNB-UHFFFAOYSA-N 1 1 293.330 2.976 20 30 CFEDMO Cc1ccncc1C[N@H+](C)Cc1ccc(C#N)s1 ZINC000355597886 155050753 /nfs/dbraw/zinc/05/07/53/155050753.db2.gz FRFNKQVPQFHEIM-UHFFFAOYSA-N 1 1 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CCC[C@@H](C)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000350314657 163072581 /nfs/dbraw/zinc/07/25/81/163072581.db2.gz NVYGZDGXAHIYMZ-GFCCVEGCSA-N 1 1 256.353 2.826 20 30 CFEDMO C[C@]1(CCCO)CCC[N@H+]1CCOc1cccc(C#N)c1 ZINC000352890416 163262583 /nfs/dbraw/zinc/26/25/83/163262583.db2.gz XTCKOFTUKGOZCK-QGZVFWFLSA-N 1 1 288.391 2.564 20 30 CFEDMO Cc1ccncc1C[N@@H+](C)Cc1cccc(C#N)c1 ZINC000353383611 163355332 /nfs/dbraw/zinc/35/53/32/163355332.db2.gz RPNDMLUKEKBFDQ-UHFFFAOYSA-N 1 1 251.333 2.894 20 30 CFEDMO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCN(C3CC3)C1)CC2 ZINC000353422491 163362553 /nfs/dbraw/zinc/36/25/53/163362553.db2.gz BWAGAYNBNGFFGH-KSSFIOAISA-N 1 1 281.403 2.619 20 30 CFEDMO N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@@H+](C3CC3)C1)CC2 ZINC000353422491 163362556 /nfs/dbraw/zinc/36/25/56/163362556.db2.gz BWAGAYNBNGFFGH-KSSFIOAISA-N 1 1 281.403 2.619 20 30 CFEDMO N#Cc1ccc2c(c1)[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000353422491 163362560 /nfs/dbraw/zinc/36/25/60/163362560.db2.gz BWAGAYNBNGFFGH-KSSFIOAISA-N 1 1 281.403 2.619 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCOC2(CCOCC2)C1 ZINC000135629157 287131321 /nfs/dbraw/zinc/13/13/21/287131321.db2.gz DMNHBMXDTKUSST-AWEZNQCLSA-N 1 1 286.375 2.501 20 30 CFEDMO Cc1nnc(SCC[C@@H]2CCCC[N@@H+]2C)c(C#N)c1C ZINC000284251003 196013265 /nfs/dbraw/zinc/01/32/65/196013265.db2.gz OKOBMWRANKIENY-ZDUSSCGKSA-N 1 1 290.436 2.932 20 30 CFEDMO C=CCCCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000575132592 335070645 /nfs/dbraw/zinc/07/06/45/335070645.db2.gz OUNGCKZPOLYCSG-UHFFFAOYSA-N 1 1 261.325 2.704 20 30 CFEDMO C[C@H](NCCC[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000020129004 171016170 /nfs/dbraw/zinc/01/61/70/171016170.db2.gz RJTWZSIKYDKUPK-AWEZNQCLSA-N 1 1 257.381 2.695 20 30 CFEDMO CC(C)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000020189036 171054638 /nfs/dbraw/zinc/05/46/38/171054638.db2.gz KTPDPJLBJZIHPA-UHFFFAOYSA-N 1 1 257.381 2.521 20 30 CFEDMO N#Cc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284805969 196135903 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C=CCCn1cc(C[N@H+]2CC[C@H](c3cc(C)ccn3)C2)nn1 ZINC000653749859 413479523 /nfs/dbraw/zinc/47/95/23/413479523.db2.gz DFWALCXIHUBKTC-HNNXBMFYSA-N 1 1 297.406 2.547 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CC[C@H](c3cc(C)ccn3)C2)nn1 ZINC000653749859 413479533 /nfs/dbraw/zinc/47/95/33/413479533.db2.gz DFWALCXIHUBKTC-HNNXBMFYSA-N 1 1 297.406 2.547 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CC[C@H](C3CCCC3)C2)nn1 ZINC000653768518 413490802 /nfs/dbraw/zinc/49/08/02/413490802.db2.gz JYWIFTNECBNSJT-HNNXBMFYSA-N 1 1 274.412 2.866 20 30 CFEDMO C=CCCC[C@@H](C)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660697225 413505117 /nfs/dbraw/zinc/50/51/17/413505117.db2.gz VSXNSTKLXFGTDG-MRXNPFEDSA-N 1 1 282.472 2.804 20 30 CFEDMO C=CCCNC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000660786081 413564664 /nfs/dbraw/zinc/56/46/64/413564664.db2.gz VABJSPLEAPZOST-OAHLLOKOSA-N 1 1 289.423 2.772 20 30 CFEDMO Cc1ccc(C[N@@H+](C)CCOc2ccccc2C#N)o1 ZINC000035699733 172368355 /nfs/dbraw/zinc/36/83/55/172368355.db2.gz KINLRJKGGBDYPT-UHFFFAOYSA-N 1 1 270.332 2.971 20 30 CFEDMO C[N@H+](Cc1cccs1)C[C@H](O)c1ccc(C#N)cc1 ZINC000035717378 172371452 /nfs/dbraw/zinc/37/14/52/172371452.db2.gz ZENHEGBPXKGUMO-HNNXBMFYSA-N 1 1 272.373 2.785 20 30 CFEDMO C=CC[C@H]1CCCN(C(=O)NCC[N@H+](CC)CCC)C1 ZINC000660867887 413623714 /nfs/dbraw/zinc/62/37/14/413623714.db2.gz XPXBNEZRKMPGTB-HNNXBMFYSA-N 1 1 281.444 2.716 20 30 CFEDMO C=CCC1(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000664216312 413638699 /nfs/dbraw/zinc/63/86/99/413638699.db2.gz GXSSTJQQEBENDA-UONOGXRCSA-N 1 1 279.428 2.657 20 30 CFEDMO C=CCC(C)(C)C[NH2+]Cc1ccnn1-c1ccncc1 ZINC000657473680 413651657 /nfs/dbraw/zinc/65/16/57/413651657.db2.gz OWPXRCVCPHJZNS-UHFFFAOYSA-N 1 1 270.380 2.959 20 30 CFEDMO C=CC[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000660843842 413614525 /nfs/dbraw/zinc/61/45/25/413614525.db2.gz CLHMXYLUSHEPTA-XHSDSOJGSA-N 1 1 293.455 2.762 20 30 CFEDMO C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCn1cc[nH+]c1C ZINC000660850449 413614827 /nfs/dbraw/zinc/61/48/27/413614827.db2.gz 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CC[N@@H+](CCOCCC#N)[C@H](C)c1ccc(C#N)cc1 ZINC000293556746 266127449 /nfs/dbraw/zinc/12/74/49/266127449.db2.gz RRSJPTRCDHBLFG-CQSZACIVSA-N 1 1 271.364 2.871 20 30 CFEDMO C=C[C@H](CC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C)c1ccccc1 ZINC000356877967 266202321 /nfs/dbraw/zinc/20/23/21/266202321.db2.gz MVUGUOAFRRWWPG-ARFHVFGLSA-N 1 1 286.419 2.897 20 30 CFEDMO CC[C@H](C)[C@@H]1CCCC[N@H+]1CCC(=O)N(C)CCC#N ZINC000356984430 266224620 /nfs/dbraw/zinc/22/46/20/266224620.db2.gz NKCZEEUXGYYUAJ-GJZGRUSLSA-N 1 1 279.428 2.649 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)C1CCC1 ZINC000357028100 266235187 /nfs/dbraw/zinc/23/51/87/266235187.db2.gz AWJDIEIRQDVIOA-CYBMUJFWSA-N 1 1 252.402 2.531 20 30 CFEDMO CCOC[C@@H]1CCCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000313483684 266283867 /nfs/dbraw/zinc/28/38/67/266283867.db2.gz LNQRVLPHJPGIAR-INIZCTEOSA-N 1 1 288.391 2.958 20 30 CFEDMO C=CC[N@@H+](CC(=O)N(C)[C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000357549140 266320253 /nfs/dbraw/zinc/32/02/53/266320253.db2.gz 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COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCOCCC#N ZINC000293985279 328278896 /nfs/dbraw/zinc/27/88/96/328278896.db2.gz FDAFXXVUKPGTTG-OAHLLOKOSA-N 1 1 296.798 2.890 20 30 CFEDMO COc1c(C)c[nH+]c(CN(C)C[C@@H](C#N)CCC#N)c1C ZINC000295208795 328285635 /nfs/dbraw/zinc/28/56/35/328285635.db2.gz UHQKCLZAKBJSQH-CQSZACIVSA-N 1 1 286.379 2.582 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1C(C)(C)C1(C)C ZINC001085536906 782092926 /nfs/dbraw/zinc/09/29/26/782092926.db2.gz MEOZEYMQJCMVHD-CYBMUJFWSA-N 1 1 278.440 2.777 20 30 CFEDMO C[C@@H](CCC#N)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000298629474 328296940 /nfs/dbraw/zinc/29/69/40/328296940.db2.gz VRDIPWNHAOUNAV-LBPRGKRZSA-N 1 1 261.325 2.761 20 30 CFEDMO Cc1ccc(C#N)c(N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000160348772 322336677 /nfs/dbraw/zinc/33/66/77/322336677.db2.gz ITAARQCWVVIQBT-UHFFFAOYSA-N 1 1 298.415 2.645 20 30 CFEDMO Cc1nccn1CCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000163502341 322376200 /nfs/dbraw/zinc/37/62/00/322376200.db2.gz PNRGGGJJRKLWFA-UHFFFAOYSA-N 1 1 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329020968 /nfs/dbraw/zinc/02/09/68/329020968.db2.gz FSSZHSYBEIHTMD-UHFFFAOYSA-N 1 1 291.398 2.775 20 30 CFEDMO CC(C)[C@@]1(CO)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000377644123 329022752 /nfs/dbraw/zinc/02/27/52/329022752.db2.gz DXHQOALVXVXBAD-HNNXBMFYSA-N 1 1 252.402 2.657 20 30 CFEDMO C=CCCC[N@H+]1CCC[C@H](C(=O)Nc2ccccn2)C1 ZINC000377774051 329028766 /nfs/dbraw/zinc/02/87/66/329028766.db2.gz AALMWQJIUMDZKG-AWEZNQCLSA-N 1 1 273.380 2.698 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000378160776 329041778 /nfs/dbraw/zinc/04/17/78/329041778.db2.gz NZOACKUURYSFKI-OKZBNKHCSA-N 1 1 289.419 2.902 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000378252296 329044325 /nfs/dbraw/zinc/04/43/25/329044325.db2.gz GTSZZUJOTQKHLR-UHFFFAOYSA-N 1 1 293.798 2.793 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000378417290 329049675 /nfs/dbraw/zinc/04/96/75/329049675.db2.gz VCYXNMXEJSFPKM-KRWDZBQOSA-N 1 1 282.391 2.780 20 30 CFEDMO N#CCC[C@H](C#N)C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000378417294 329049719 /nfs/dbraw/zinc/04/97/19/329049719.db2.gz VCYXNMXEJSFPKM-QGZVFWFLSA-N 1 1 282.391 2.780 20 30 CFEDMO C=CC(C)(C)CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000458984771 329061834 /nfs/dbraw/zinc/06/18/34/329061834.db2.gz GTADJCRPYKGFMY-ZIAGYGMSSA-N 1 1 281.444 2.713 20 30 CFEDMO N#CCSCCC[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000173876679 329152988 /nfs/dbraw/zinc/15/29/88/329152988.db2.gz PWCUVOOLGPZIBN-LBPRGKRZSA-N 1 1 281.450 2.969 20 30 CFEDMO C=CCCCC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000175404381 329165713 /nfs/dbraw/zinc/16/57/13/329165713.db2.gz QOISHLZUYRUALC-UHFFFAOYSA-N 1 1 260.381 2.591 20 30 CFEDMO C=CCCCC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000175688841 329167872 /nfs/dbraw/zinc/16/78/72/329167872.db2.gz KYPBOLFZVRHPGF-HZPDHXFCSA-N 1 1 296.455 2.596 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000175805809 329171813 /nfs/dbraw/zinc/17/18/13/329171813.db2.gz GXBZELSPOCTRSU-CQSZACIVSA-N 1 1 273.804 2.789 20 30 CFEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](CCO)CCCC)c1C ZINC000177560905 329187737 /nfs/dbraw/zinc/18/77/37/329187737.db2.gz XPDGMXFALSGXFC-UHFFFAOYSA-N 1 1 292.423 2.568 20 30 CFEDMO C=CCn1c(C)cc(C(=O)C[N@H+](CCO)CCCC)c1C ZINC000177560905 329187739 /nfs/dbraw/zinc/18/77/39/329187739.db2.gz XPDGMXFALSGXFC-UHFFFAOYSA-N 1 1 292.423 2.568 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CN2CCC[N@H+](C3CC3)CC2)cc1 ZINC000179729779 329208046 /nfs/dbraw/zinc/20/80/46/329208046.db2.gz FKYUEEHIWRTPJH-OAHLLOKOSA-N 1 1 299.418 2.648 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2CCCN(C3CC3)CC2)cc1 ZINC000179729779 329208048 /nfs/dbraw/zinc/20/80/48/329208048.db2.gz FKYUEEHIWRTPJH-OAHLLOKOSA-N 1 1 299.418 2.648 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCCN(C3CC3)CC2)cc1 ZINC000179729779 329208049 /nfs/dbraw/zinc/20/80/49/329208049.db2.gz FKYUEEHIWRTPJH-OAHLLOKOSA-N 1 1 299.418 2.648 20 30 CFEDMO C#CCCCCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179987077 329214361 /nfs/dbraw/zinc/21/43/61/329214361.db2.gz PGVZLYLWAMEHMR-NVXWUHKLSA-N 1 1 288.435 2.655 20 30 CFEDMO C=CCN(CCc1ccccc1)Cc1n[nH]c(C2CC2)n1 ZINC000180413879 329216454 /nfs/dbraw/zinc/21/64/54/329216454.db2.gz FNPDOPSVPJTAOM-UHFFFAOYSA-N 1 1 282.391 2.913 20 30 CFEDMO C=CCCC[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000181098303 329225948 /nfs/dbraw/zinc/22/59/48/329225948.db2.gz KAOCRTZNZJGAGL-KFWWJZLASA-N 1 1 279.428 2.609 20 30 CFEDMO C=C(C)C[N@@H+](C)Cc1nnc(-c2ccccc2OC)o1 ZINC000181277621 329229196 /nfs/dbraw/zinc/22/91/96/329229196.db2.gz MSZNLGFQYNJIPH-UHFFFAOYSA-N 1 1 273.336 2.753 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1nnc(-c2ccccc2OC)o1 ZINC000181277621 329229197 /nfs/dbraw/zinc/22/91/97/329229197.db2.gz MSZNLGFQYNJIPH-UHFFFAOYSA-N 1 1 273.336 2.753 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000181283515 329229733 /nfs/dbraw/zinc/22/97/33/329229733.db2.gz IHSGWESMFOGQNM-CHWSQXEVSA-N 1 1 278.371 2.899 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000181288549 329230032 /nfs/dbraw/zinc/23/00/32/329230032.db2.gz AUQIDGYCFGUUMZ-AWEZNQCLSA-N 1 1 264.413 2.890 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1OC ZINC000181309304 329230895 /nfs/dbraw/zinc/23/08/95/329230895.db2.gz WXJNGUPGJSWPKJ-KBPBESRZSA-N 1 1 290.407 2.769 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000183117126 329244984 /nfs/dbraw/zinc/24/49/84/329244984.db2.gz VVRIJXMKEARWGL-INIZCTEOSA-N 1 1 283.375 2.562 20 30 CFEDMO CC#CCCCC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000185140673 329266436 /nfs/dbraw/zinc/26/64/36/329266436.db2.gz SWMQYEMPMDBQGW-MRXNPFEDSA-N 1 1 278.440 2.808 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000185136871 329266560 /nfs/dbraw/zinc/26/65/60/329266560.db2.gz GIWYBRJUQQLSCN-ILXRZTDVSA-N 1 1 266.429 2.825 20 30 CFEDMO Cc1ccnc([C@@H]2CC[N@H+]([C@@H]3CC[C@@H](C#N)C3)C2)c1 ZINC000582854556 329280676 /nfs/dbraw/zinc/28/06/76/329280676.db2.gz RDGRZHXGABRKOM-RBSFLKMASA-N 1 1 255.365 2.872 20 30 CFEDMO CC#CCCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000185912965 329332686 /nfs/dbraw/zinc/33/26/86/329332686.db2.gz NGGRKXRECPTXAM-WBVHZDCISA-N 1 1 288.435 2.655 20 30 CFEDMO C#CCC(C)(C)C(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000185887543 329334530 /nfs/dbraw/zinc/33/45/30/329334530.db2.gz RSELIJHJMRHJGI-UHFFFAOYSA-N 1 1 299.418 2.525 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C(=C)C)c1ccc(F)c(F)c1 ZINC000187786496 329360740 /nfs/dbraw/zinc/36/07/40/329360740.db2.gz POVYHVTVUBXTEH-ABAIWWIYSA-N 1 1 294.345 2.862 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000583242966 329392785 /nfs/dbraw/zinc/39/27/85/329392785.db2.gz WZLVIRWZAHWXQV-VXGBXAGGSA-N 1 1 292.345 2.952 20 30 CFEDMO C=C[C@@H](CC(=O)N(C)C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000421713192 330069540 /nfs/dbraw/zinc/06/95/40/330069540.db2.gz SABZZHZDMZXEIX-DOTOQJQBSA-N 1 1 286.419 2.899 20 30 CFEDMO CC(C)Oc1ccc([C@@H](C[NH2+]CCC#N)N(C)C)cc1 ZINC000580436853 330137182 /nfs/dbraw/zinc/13/71/82/330137182.db2.gz XGUPDBFOQRDVFR-MRXNPFEDSA-N 1 1 275.396 2.580 20 30 CFEDMO C[C@H](C#N)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379651094 330145818 /nfs/dbraw/zinc/14/58/18/330145818.db2.gz UBJIEQCYBJDZIG-BFYDXBDKSA-N 1 1 271.408 2.789 20 30 CFEDMO C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000423154411 330173076 /nfs/dbraw/zinc/17/30/76/330173076.db2.gz HQUKVKHFDFPXOA-BSWAZPDLSA-N 1 1 271.408 2.617 20 30 CFEDMO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](N)c3ccccc32)C1 ZINC000423153174 330173207 /nfs/dbraw/zinc/17/32/07/330173207.db2.gz GHFGGAOSLZESPQ-APYUEPQZSA-N 1 1 255.365 2.803 20 30 CFEDMO C=CC[C@H](Cc1ccccc1)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423191922 330175940 /nfs/dbraw/zinc/17/59/40/330175940.db2.gz UECAPMBLPXOMHK-OIISXLGYSA-N 1 1 258.409 2.904 20 30 CFEDMO C[C@@H](N)[C@H](C)[NH2+]C1CCC(C#N)(c2ccccc2)CC1 ZINC000423454973 330203309 /nfs/dbraw/zinc/20/33/09/330203309.db2.gz ZUDDJPSDMNRGGS-VBJONLRCSA-N 1 1 271.408 2.716 20 30 CFEDMO N#CC1(NC(=O)C[N@@H+](CC2CCCCC2)C2CC2)CCC1 ZINC000527128222 330224882 /nfs/dbraw/zinc/22/48/82/330224882.db2.gz VZPPDUTXFOCSOH-UHFFFAOYSA-N 1 1 289.423 2.594 20 30 CFEDMO N#CC1(NC(=O)C[N@@H+](CC2CC2)C2CCCCC2)CCC1 ZINC000527128602 330225148 /nfs/dbraw/zinc/22/51/48/330225148.db2.gz DPTXEGQNAFWLFM-UHFFFAOYSA-N 1 1 289.423 2.594 20 30 CFEDMO C[C@H]1CC[N@@H+](CCNC(=O)C[C@@H](CC#N)c2ccccc2)C1 ZINC000527248835 330241160 /nfs/dbraw/zinc/24/11/60/330241160.db2.gz WXCTZTZONJNMAQ-DOTOQJQBSA-N 1 1 299.418 2.532 20 30 CFEDMO C=CCC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000532942913 330251484 /nfs/dbraw/zinc/25/14/84/330251484.db2.gz YMSAJXODYSIFPL-HOTGVXAUSA-N 1 1 272.392 2.762 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H](CC)c2ccc(F)cc2)nn1 ZINC000424145619 330291404 /nfs/dbraw/zinc/29/14/04/330291404.db2.gz VFOQSWOIYJQXRL-HNNXBMFYSA-N 1 1 274.343 2.844 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H]2C[C@H](C)c3ccccc32)nn1 ZINC000424297681 330336481 /nfs/dbraw/zinc/33/64/81/330336481.db2.gz QZQSALXIQIWEIU-LRDDRELGSA-N 1 1 268.364 2.802 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H](CC)c2ccsc2)nn1 ZINC000424299934 330336891 /nfs/dbraw/zinc/33/68/91/330336891.db2.gz WHTORUOYGZKAKY-ZDUSSCGKSA-N 1 1 262.382 2.767 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H](C)c2cc(C)sc2C)nn1 ZINC000424301262 330337823 /nfs/dbraw/zinc/33/78/23/330337823.db2.gz ZOPMJOMOAIYILL-LLVKDONJSA-N 1 1 276.409 2.993 20 30 CFEDMO Cc1ccccc1Cc1noc([C@@H]([NH3+])CCCC#N)n1 ZINC000424338050 330343770 /nfs/dbraw/zinc/34/37/70/330343770.db2.gz MMQFWGUWTBREGG-ZDUSSCGKSA-N 1 1 270.336 2.663 20 30 CFEDMO C=C(C)CN1CCC([NH2+][C@H](CC)c2ccn(C)n2)CC1 ZINC000544570221 330379970 /nfs/dbraw/zinc/37/99/70/330379970.db2.gz NQNVNCSMGOBGQL-OAHLLOKOSA-N 1 1 276.428 2.501 20 30 CFEDMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C1CC1)[C@@H]1CCCC[C@@H]1C ZINC000120134072 330384752 /nfs/dbraw/zinc/38/47/52/330384752.db2.gz ZITBENPQYUSFPZ-YSVLISHTSA-N 1 1 291.439 2.695 20 30 CFEDMO CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)N(CC)CCC#N ZINC000120679070 330390311 /nfs/dbraw/zinc/39/03/11/330390311.db2.gz ZWBOYNAKIWFVJR-LSDHHAIUSA-N 1 1 279.428 2.649 20 30 CFEDMO C=CC[N@@H+](C)CCCc1nc(-c2cccs2)no1 ZINC000121141125 330395591 /nfs/dbraw/zinc/39/55/91/330395591.db2.gz IIZPZOHYMLSCNW-UHFFFAOYSA-N 1 1 263.366 2.849 20 30 CFEDMO C=CCCC[N@H+](C)C[C@@H](O)COc1cc(C)ccc1C ZINC000121152572 330398115 /nfs/dbraw/zinc/39/81/15/330398115.db2.gz GGQUPPMVVBMLBR-MRXNPFEDSA-N 1 1 277.408 2.941 20 30 CFEDMO C=CC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000121302197 330399460 /nfs/dbraw/zinc/39/94/60/330399460.db2.gz LSQQMOARNBVPDJ-UONOGXRCSA-N 1 1 274.408 2.933 20 30 CFEDMO C=C(CC)C[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000315325322 330474167 /nfs/dbraw/zinc/47/41/67/330474167.db2.gz MCEODORYVPVYJS-SECBINFHSA-N 1 1 254.355 2.547 20 30 CFEDMO N#CCC1(C[NH2+]Cc2cc(O)ccc2Br)CC1 ZINC000430016477 330557435 /nfs/dbraw/zinc/55/74/35/330557435.db2.gz GDOWHMLYDAHYIB-UHFFFAOYSA-N 1 1 295.180 2.938 20 30 CFEDMO C=C1CC[NH+](C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000449021932 330892902 /nfs/dbraw/zinc/89/29/02/330892902.db2.gz FUJGBIMBFRNHQN-CQSZACIVSA-N 1 1 293.432 2.846 20 30 CFEDMO CCCN1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000449221652 330907180 /nfs/dbraw/zinc/90/71/80/330907180.db2.gz UIVZNQUGGMYELS-UHFFFAOYSA-N 1 1 263.429 2.923 20 30 CFEDMO C=CCC[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C(=O)OCC ZINC000449655979 330942294 /nfs/dbraw/zinc/94/22/94/330942294.db2.gz IQYCVEGCBJRDES-RDBSUJKOSA-N 1 1 251.370 2.663 20 30 CFEDMO C=CCC[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C(=O)OCC ZINC000449655977 330942333 /nfs/dbraw/zinc/94/23/33/330942333.db2.gz IQYCVEGCBJRDES-MCIONIFRSA-N 1 1 251.370 2.663 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1ccccc1OC1CC1 ZINC000450836606 331001968 /nfs/dbraw/zinc/00/19/68/331001968.db2.gz KFYQGYUHAAVPNP-UHFFFAOYSA-N 1 1 261.365 2.862 20 30 CFEDMO C=CC[C@@H]1[N@H+](C[C@H]2CCNC(=O)CC2)CCCC1(C)C ZINC000450859277 331003315 /nfs/dbraw/zinc/00/33/15/331003315.db2.gz BGQZHKUMJSOHRE-CABCVRRESA-N 1 1 278.440 2.969 20 30 CFEDMO Cc1cccnc1OC1CC[NH+](CC2(C#N)CCC2)CC1 ZINC000450864051 331003552 /nfs/dbraw/zinc/00/35/52/331003552.db2.gz CEKNHVDOGJTEPY-UHFFFAOYSA-N 1 1 285.391 2.927 20 30 CFEDMO C=CCC1(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CCCC1 ZINC000451167039 331018403 /nfs/dbraw/zinc/01/84/03/331018403.db2.gz VMQSWNDSKUDJCC-HNNXBMFYSA-N 1 1 278.440 2.922 20 30 CFEDMO C=C(C)CC[N@H+]1C[C@@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451278467 331022840 /nfs/dbraw/zinc/02/28/40/331022840.db2.gz CPDCRJTUOHQZGX-HOTGVXAUSA-N 1 1 263.356 2.753 20 30 CFEDMO CC(C)C[C@]1(C)CCC[N@H+]1CC(=O)N[C@](C)(C#N)C1CC1 ZINC000451289086 331023229 /nfs/dbraw/zinc/02/32/29/331023229.db2.gz IXJJEJFCRFUVPX-DLBZAZTESA-N 1 1 291.439 2.695 20 30 CFEDMO C=CCOCCC[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000451335977 331024817 /nfs/dbraw/zinc/02/48/17/331024817.db2.gz VOLDEJNXXOIFQJ-HNNXBMFYSA-N 1 1 283.799 2.898 20 30 CFEDMO N#CC1(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)CCC1 ZINC000451355976 331025528 /nfs/dbraw/zinc/02/55/28/331025528.db2.gz WJVBSEWBNICHFK-ZNMIVQPWSA-N 1 1 262.397 2.696 20 30 CFEDMO O[C@@H]1CCC[C@H]1[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000451414035 331028384 /nfs/dbraw/zinc/02/83/84/331028384.db2.gz CRDJFPLPYSVZBZ-OKZBNKHCSA-N 1 1 287.378 2.803 20 30 CFEDMO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ncc(-c2cccs2)o1 ZINC000451610777 331036907 /nfs/dbraw/zinc/03/69/07/331036907.db2.gz ZPHULWHAXYFHBD-MNOVXSKESA-N 1 1 276.361 2.836 20 30 CFEDMO CC(C)(C#N)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000163418770 331037094 /nfs/dbraw/zinc/03/70/94/331037094.db2.gz OBFKCMXWLDJGDZ-SFHVURJKSA-N 1 1 299.418 2.707 20 30 CFEDMO CC(C)(C#N)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000163418644 331037124 /nfs/dbraw/zinc/03/71/24/331037124.db2.gz OBFKCMXWLDJGDZ-GOSISDBHSA-N 1 1 299.418 2.707 20 30 CFEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(C(C)(C)C)on1 ZINC000451678667 331038741 /nfs/dbraw/zinc/03/87/41/331038741.db2.gz FIZMOIZMUIGNRY-OLZOCXBDSA-N 1 1 264.369 2.795 20 30 CFEDMO CC[C@H]1CN(CC)CC[N@H+]1CCCC(C)(C)C#N ZINC000451729833 331040493 /nfs/dbraw/zinc/04/04/93/331040493.db2.gz MEUUTMIQHUEPDA-AWEZNQCLSA-N 1 1 251.418 2.732 20 30 CFEDMO CC[C@H]1C[N@H+](CC)CCN1CCCC(C)(C)C#N ZINC000451729833 331040494 /nfs/dbraw/zinc/04/04/94/331040494.db2.gz MEUUTMIQHUEPDA-AWEZNQCLSA-N 1 1 251.418 2.732 20 30 CFEDMO CC[C@H]1C[N@@H+](CC)CCN1CCCC(C)(C)C#N ZINC000451729833 331040495 /nfs/dbraw/zinc/04/04/95/331040495.db2.gz MEUUTMIQHUEPDA-AWEZNQCLSA-N 1 1 251.418 2.732 20 30 CFEDMO CO[C@H]1C[C@H]([N@@H+](C)CC#Cc2ccccc2)C12CCC2 ZINC000451864666 331045335 /nfs/dbraw/zinc/04/53/35/331045335.db2.gz JNBXBTSGEACJPU-IRXDYDNUSA-N 1 1 269.388 2.928 20 30 CFEDMO C=CCCC[C@H](C)[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451891215 331046346 /nfs/dbraw/zinc/04/63/46/331046346.db2.gz OAPASQNQWVKSJD-SRVKXCTJSA-N 1 1 265.319 2.976 20 30 CFEDMO N#CC1(CCC[N@H+]2CCC[C@]3(CCOC3)C2)CCOCC1 ZINC000451914035 331047252 /nfs/dbraw/zinc/04/72/52/331047252.db2.gz ZAXUZWYZQRAASR-KRWDZBQOSA-N 1 1 292.423 2.589 20 30 CFEDMO N#CC1(CCC[N@H+]2CCC[C@@]3(CCOC3)C2)CCOCC1 ZINC000451914036 331047270 /nfs/dbraw/zinc/04/72/70/331047270.db2.gz ZAXUZWYZQRAASR-QGZVFWFLSA-N 1 1 292.423 2.589 20 30 CFEDMO C=CCC1(C(=O)N2CC[N@@H+](CC)C[C@H]2C)CCCC1 ZINC000451919959 331047291 /nfs/dbraw/zinc/04/72/91/331047291.db2.gz UYIDEDNRLFXZKN-CQSZACIVSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CCC1(C(=O)N2CC[N@H+](CC)C[C@H]2C)CCCC1 ZINC000451919959 331047292 /nfs/dbraw/zinc/04/72/92/331047292.db2.gz UYIDEDNRLFXZKN-CQSZACIVSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1C ZINC000451972380 331049120 /nfs/dbraw/zinc/04/91/20/331049120.db2.gz OELSPKWTVINGHB-HNNXBMFYSA-N 1 1 276.355 2.573 20 30 CFEDMO CC(C)(C)C[C@H]1CC[N@@H+](CC(=O)N[C@](C)(C#N)C2CC2)C1 ZINC000452068218 331052726 /nfs/dbraw/zinc/05/27/26/331052726.db2.gz BOZDZKPEYDJWHN-CXAGYDPISA-N 1 1 291.439 2.553 20 30 CFEDMO C[C@H](C(=O)N(C)CCC#N)[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000452067918 331052840 /nfs/dbraw/zinc/05/28/40/331052840.db2.gz AYGPYCFSIULSBM-ZIAGYGMSSA-N 1 1 279.428 2.505 20 30 CFEDMO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000452119431 331055091 /nfs/dbraw/zinc/05/50/91/331055091.db2.gz IAFKCYHBKUYJAF-HOCLYGCPSA-N 1 1 286.419 2.978 20 30 CFEDMO C=CCC(C)(C)CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000452142022 331055873 /nfs/dbraw/zinc/05/58/73/331055873.db2.gz WGYRQJPSLUCXGF-CQSZACIVSA-N 1 1 266.429 2.969 20 30 CFEDMO C=C(C)CCNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000452725942 331074371 /nfs/dbraw/zinc/07/43/71/331074371.db2.gz UHGSFKSTPOQPMZ-AWEZNQCLSA-N 1 1 272.392 2.516 20 30 CFEDMO C=C(C)CCNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000452725942 331074372 /nfs/dbraw/zinc/07/43/72/331074372.db2.gz UHGSFKSTPOQPMZ-AWEZNQCLSA-N 1 1 272.392 2.516 20 30 CFEDMO C=CC(C)(C)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000452778890 331077278 /nfs/dbraw/zinc/07/72/78/331077278.db2.gz ZZXIBBKWBIOFGI-ZDUSSCGKSA-N 1 1 252.402 2.579 20 30 CFEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H]1C1CC1 ZINC000453009434 331083421 /nfs/dbraw/zinc/08/34/21/331083421.db2.gz FUTCZPIVZBEKNK-IRXDYDNUSA-N 1 1 287.403 2.639 20 30 CFEDMO CN1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H]2CCC[C@H]21 ZINC000453287426 331111427 /nfs/dbraw/zinc/11/14/27/331111427.db2.gz FWLRUPSYHUDHTG-ARKGTOAJSA-N 1 1 261.413 2.531 20 30 CFEDMO C=CC(C)(C)CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000454262585 331143171 /nfs/dbraw/zinc/14/31/71/331143171.db2.gz SQFALFZTUAQGSI-ZIAGYGMSSA-N 1 1 281.444 2.761 20 30 CFEDMO C=C(CC)CNC(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000454487901 331147300 /nfs/dbraw/zinc/14/73/00/331147300.db2.gz DJGPILLMHHVGTP-CQSZACIVSA-N 1 1 267.417 2.516 20 30 CFEDMO C=C(CC)CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000454577545 331149140 /nfs/dbraw/zinc/14/91/40/331149140.db2.gz LTXFNBNYPYTDRN-OAHLLOKOSA-N 1 1 279.428 2.516 20 30 CFEDMO C=C(C)CCNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000454653693 331150497 /nfs/dbraw/zinc/15/04/97/331150497.db2.gz XGJJBVDYBZHGLR-ZNMIVQPWSA-N 1 1 281.444 2.618 20 30 CFEDMO C[C@H](NC(=O)Nc1cccc(CC#N)c1)C1=CC[N@@H+](C)CC1 ZINC000455905657 331180268 /nfs/dbraw/zinc/18/02/68/331180268.db2.gz MEFPKDSPYKIBGV-ZDUSSCGKSA-N 1 1 298.390 2.525 20 30 CFEDMO N#CCc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000455924288 331181323 /nfs/dbraw/zinc/18/13/23/331181323.db2.gz VLERZROHTMFZHL-JKSUJKDBSA-N 1 1 298.390 2.501 20 30 CFEDMO C[C@@H]1CN(C(=O)CCCC#N)CC[N@@H+](Cc2ccccc2)C1 ZINC000456348367 331190449 /nfs/dbraw/zinc/19/04/49/331190449.db2.gz VAMFOBVRSLZNLE-INIZCTEOSA-N 1 1 299.418 2.661 20 30 CFEDMO C=CCC1(NC(=O)C[N@H+](CC)C2CC2)CCCCC1 ZINC000456373298 331191595 /nfs/dbraw/zinc/19/15/95/331191595.db2.gz VKJQVRGGTYYCCU-UHFFFAOYSA-N 1 1 264.413 2.866 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](CC)C[C@@H]1CC ZINC000456386999 331191928 /nfs/dbraw/zinc/19/19/28/331191928.db2.gz SDJWDOVEUIFHLH-KBPBESRZSA-N 1 1 252.402 2.531 20 30 CFEDMO C=CCC1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC000456510965 331194785 /nfs/dbraw/zinc/19/47/85/331194785.db2.gz SMUGEVYSTPYRBW-GJZGRUSLSA-N 1 1 278.440 2.969 20 30 CFEDMO C=C(CC)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000456812648 331205099 /nfs/dbraw/zinc/20/50/99/331205099.db2.gz NYHLISIWGWTFSF-MRXNPFEDSA-N 1 1 290.382 2.873 20 30 CFEDMO C=C(CC)CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000456812648 331205100 /nfs/dbraw/zinc/20/51/00/331205100.db2.gz NYHLISIWGWTFSF-MRXNPFEDSA-N 1 1 290.382 2.873 20 30 CFEDMO C=CCC(CC=C)C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000457035082 331210682 /nfs/dbraw/zinc/21/06/82/331210682.db2.gz WDFMAFHUFDZWRO-QGZVFWFLSA-N 1 1 284.403 2.928 20 30 CFEDMO C=CCCC1(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000457083646 331211834 /nfs/dbraw/zinc/21/18/34/331211834.db2.gz FWYZZOKWRDUYKU-CQSZACIVSA-N 1 1 264.413 2.674 20 30 CFEDMO CC[N@@H+](C)[C@H](C(=O)NCC(C)(C)CC#N)c1ccccc1 ZINC000457984279 331238656 /nfs/dbraw/zinc/23/86/56/331238656.db2.gz CKULQHASATYHNV-HNNXBMFYSA-N 1 1 287.407 2.735 20 30 CFEDMO C=CCC1(CNC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC000459058363 331268779 /nfs/dbraw/zinc/26/87/79/331268779.db2.gz ZTNLAFWHLBKZTH-HNNXBMFYSA-N 1 1 293.455 2.716 20 30 CFEDMO C=CC[N@H+](CCc1cn[nH]c1)Cc1cccc([N+](=O)[O-])c1 ZINC000459324292 331276244 /nfs/dbraw/zinc/27/62/44/331276244.db2.gz JMKSRDMNSWUQAO-UHFFFAOYSA-N 1 1 286.335 2.549 20 30 CFEDMO CCC(CC)C[N@@H+](CCC#N)CCc1cncn1C ZINC000459363926 331278335 /nfs/dbraw/zinc/27/83/35/331278335.db2.gz SCLGXLQPGVUMFG-UHFFFAOYSA-N 1 1 262.401 2.614 20 30 CFEDMO CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459473897 331283699 /nfs/dbraw/zinc/28/36/99/331283699.db2.gz VQUVVRJOXAKEFG-BHYGNILZSA-N 1 1 299.418 2.705 20 30 CFEDMO CN(C)CC(C)(C)[NH2+]CC#Cc1ccccc1Cl ZINC000459553678 331287444 /nfs/dbraw/zinc/28/74/44/331287444.db2.gz ZDMOWYLENPNZMX-UHFFFAOYSA-N 1 1 264.800 2.621 20 30 CFEDMO C=CCOc1ccc(C[NH+]2CC(c3nc(C)no3)C2)cc1 ZINC000459609478 331290531 /nfs/dbraw/zinc/29/05/31/331290531.db2.gz QNMQXWMEMYILJR-UHFFFAOYSA-N 1 1 285.347 2.542 20 30 CFEDMO C[C@@H](Cc1cccc(F)c1)[N@@H+](C)CCOCCC#N ZINC000459775812 331300295 /nfs/dbraw/zinc/30/02/95/331300295.db2.gz XSCZNSGITWQKFE-ZDUSSCGKSA-N 1 1 264.344 2.619 20 30 CFEDMO CC#CCC[N@@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OC ZINC000462317152 331319122 /nfs/dbraw/zinc/31/91/22/331319122.db2.gz PNBMSTRKMHMVPA-JKSUJKDBSA-N 1 1 277.408 2.844 20 30 CFEDMO CC#CCC[N@H+](CCC)C[C@H]1COc2ccccc2O1 ZINC000462322450 331319657 /nfs/dbraw/zinc/31/96/57/331319657.db2.gz ACGKZQAXSIMRIJ-HNNXBMFYSA-N 1 1 273.376 2.952 20 30 CFEDMO C=C[C@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](CC)CCC ZINC000463058826 331339115 /nfs/dbraw/zinc/33/91/15/331339115.db2.gz MZFKASQYRCRWEJ-GJZGRUSLSA-N 1 1 281.444 2.857 20 30 CFEDMO C[C@@H]1C[C@H](C[N@@H+]2CCCC(C)(C)[C@@H]2C#N)CCO1 ZINC000488973972 332036254 /nfs/dbraw/zinc/03/62/54/332036254.db2.gz VLMJVZQAKSLKKR-MCIONIFRSA-N 1 1 250.386 2.816 20 30 CFEDMO C[C@@H]1C[C@H](C[N@H+]2CCCC(C)(C)[C@@H]2C#N)CCO1 ZINC000488973972 332036255 /nfs/dbraw/zinc/03/62/55/332036255.db2.gz VLMJVZQAKSLKKR-MCIONIFRSA-N 1 1 250.386 2.816 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)NCc1cccc(C)c1 ZINC000489394421 332050045 /nfs/dbraw/zinc/05/00/45/332050045.db2.gz BSBFABJJMNVKME-MRXNPFEDSA-N 1 1 272.392 2.652 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CCCOCC(F)(F)F ZINC000489400385 332050101 /nfs/dbraw/zinc/05/01/01/332050101.db2.gz HRNNMXHRXLMKTP-LLVKDONJSA-N 1 1 251.292 2.996 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1C ZINC000489453324 332053480 /nfs/dbraw/zinc/05/34/80/332053480.db2.gz YWOYSSZMPRSKOK-HOTGVXAUSA-N 1 1 275.392 2.775 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cc(N)ccc1F ZINC000489476561 332055011 /nfs/dbraw/zinc/05/50/11/332055011.db2.gz NJTNSICOECHZNE-ZDUSSCGKSA-N 1 1 291.370 2.777 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)N(CC(C)C)C(C)C ZINC000489489822 332055904 /nfs/dbraw/zinc/05/59/04/332055904.db2.gz MSMCNLGWSDTPFJ-HNNXBMFYSA-N 1 1 266.429 2.920 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N[C@@H](C)c1ccccc1 ZINC000489502596 332056938 /nfs/dbraw/zinc/05/69/38/332056938.db2.gz YYAMWTLYIIMZPZ-GOEBONIOSA-N 1 1 272.392 2.904 20 30 CFEDMO C#CC[N@@H+](Cn1cccnc1=S)C1CCCCC1 ZINC000490574857 332092922 /nfs/dbraw/zinc/09/29/22/332092922.db2.gz BYFYJVHBWQMDGU-UHFFFAOYSA-N 1 1 261.394 2.838 20 30 CFEDMO C#CC[N@H+](Cn1cccnc1=S)C1CCCCC1 ZINC000490574857 332092924 /nfs/dbraw/zinc/09/29/24/332092924.db2.gz BYFYJVHBWQMDGU-UHFFFAOYSA-N 1 1 261.394 2.838 20 30 CFEDMO C#CCN(CC)C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000490594090 332094130 /nfs/dbraw/zinc/09/41/30/332094130.db2.gz MWQKTOYOXGWXKT-UHFFFAOYSA-N 1 1 284.403 2.766 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CCOC)C[C@@H](C)CC(C)C)n1 ZINC000490803431 332116905 /nfs/dbraw/zinc/11/69/05/332116905.db2.gz MTTQHUAIWRFNAO-INIZCTEOSA-N 1 1 291.439 2.647 20 30 CFEDMO C#CC[N@@H+](CC#CC)Cc1ccc(Oc2cnccn2)cc1 ZINC000490923299 332129586 /nfs/dbraw/zinc/12/95/86/332129586.db2.gz JYSLJIGKIKZRPZ-UHFFFAOYSA-N 1 1 291.354 2.727 20 30 CFEDMO C#CC[N@H+](CC#CC)Cc1ccc(Oc2cnccn2)cc1 ZINC000490923299 332129587 /nfs/dbraw/zinc/12/95/87/332129587.db2.gz JYSLJIGKIKZRPZ-UHFFFAOYSA-N 1 1 291.354 2.727 20 30 CFEDMO CN(C[C@H]1CCC[N@@H+](CCCC#N)C1)C(=O)OC(C)(C)C ZINC000490958157 332133125 /nfs/dbraw/zinc/13/31/25/332133125.db2.gz CMBYMEQLHFJBAO-CQSZACIVSA-N 1 1 295.427 2.869 20 30 CFEDMO C#CC[NH+](CC#C)Cc1ccc(OCc2cccnc2)cc1 ZINC000491125132 332153207 /nfs/dbraw/zinc/15/32/07/332153207.db2.gz BAUOYZRBNYCSMB-UHFFFAOYSA-N 1 1 290.366 2.729 20 30 CFEDMO C#CC[N@H+](Cc1ccc2c(c1)NC(=O)CO2)C1CCCCC1 ZINC000491125976 332153815 /nfs/dbraw/zinc/15/38/15/332153815.db2.gz JHYLHYVUDCEZJD-UHFFFAOYSA-N 1 1 298.386 2.785 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)COC)c1ccc(Cl)cc1F ZINC000491125950 332153886 /nfs/dbraw/zinc/15/38/86/332153886.db2.gz IZXKMNKSJXLIOS-ZANVPECISA-N 1 1 255.720 2.778 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000491210710 332167057 /nfs/dbraw/zinc/16/70/57/332167057.db2.gz XUDXLKLBPQUYPW-AWEZNQCLSA-N 1 1 289.379 2.509 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000491210710 332167058 /nfs/dbraw/zinc/16/70/58/332167058.db2.gz 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CCCC[N@@H+](C)CC1CCN(C(=O)[C@](C)(C#N)CC)CC1 ZINC000352843832 528337454 /nfs/dbraw/zinc/33/74/54/528337454.db2.gz RCDTXYDYLRYVRT-KRWDZBQOSA-N 1 1 293.455 2.897 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)Nc1ncc(C#N)cc1F ZINC000413297601 528359592 /nfs/dbraw/zinc/35/95/92/528359592.db2.gz JKGXUJCILNDGDE-NSHDSACASA-N 1 1 264.348 2.625 20 30 CFEDMO CC[N@@H+](CCCCCn1cc(C)cn1)C[C@H](C)C#N ZINC000354465779 528432992 /nfs/dbraw/zinc/43/29/92/528432992.db2.gz XBMOTHMCIIBOCP-CQSZACIVSA-N 1 1 262.401 2.843 20 30 CFEDMO CCN(CCC[N@@H+](CC)C[C@@H](C)C#N)CC(F)(F)F ZINC000347296198 528444710 /nfs/dbraw/zinc/44/47/10/528444710.db2.gz CUGKLHHHOWOAKT-LBPRGKRZSA-N 1 1 279.350 2.742 20 30 CFEDMO CC(C)C[C@H](C[NH+]1CC(O)(CC#N)C1)c1ccccc1 ZINC000354597961 528519519 /nfs/dbraw/zinc/51/95/19/528519519.db2.gz HNAXRSWNMXDSQG-MRXNPFEDSA-N 1 1 272.392 2.777 20 30 CFEDMO CCC(C)(C)NC(=O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425543548 528544087 /nfs/dbraw/zinc/54/40/87/528544087.db2.gz RVYFIULREJQYJL-ZDUSSCGKSA-N 1 1 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290.382 2.986 20 30 CFEDMO C=CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000193943921 618290869 /nfs/dbraw/zinc/29/08/69/618290869.db2.gz ZZQNMPYMMKQSKO-UHFFFAOYSA-N 1 1 291.307 2.901 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1occc1C ZINC001024331608 618294230 /nfs/dbraw/zinc/29/42/30/618294230.db2.gz MLEIZWLEJYAENF-CQSZACIVSA-N 1 1 276.380 2.748 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCCCCC1 ZINC001024359287 618300713 /nfs/dbraw/zinc/30/07/13/618300713.db2.gz UPJRRMCBEFVGPG-QGZVFWFLSA-N 1 1 290.451 2.951 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001024382314 618303596 /nfs/dbraw/zinc/30/35/96/618303596.db2.gz KDHXFLAVZAXWED-CAOSSQGBSA-N 1 1 276.424 2.579 20 30 CFEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2csc(C#N)c2)C[C@@H]1O ZINC000893311446 618304155 /nfs/dbraw/zinc/30/41/55/618304155.db2.gz WZYZNENQPBSDEW-KGLIPLIRSA-N 1 1 278.421 2.849 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001024382320 618304373 /nfs/dbraw/zinc/30/43/73/618304373.db2.gz KDHXFLAVZAXWED-WCVJEAGWSA-N 1 1 276.424 2.579 20 30 CFEDMO CCCCc1nc(CO[NH+]=C(N)C2CCCCC2)no1 ZINC000067098781 618328826 /nfs/dbraw/zinc/32/88/26/618328826.db2.gz BIOZXPYBXNEVBZ-UHFFFAOYSA-N 1 1 280.372 2.781 20 30 CFEDMO CC(C)CO[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000749632472 618334663 /nfs/dbraw/zinc/33/46/63/618334663.db2.gz ZDZHAGRCIZNJPN-UHFFFAOYSA-N 1 1 268.382 2.591 20 30 CFEDMO C=CC(C)(C)NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000894106469 618339840 /nfs/dbraw/zinc/33/98/40/618339840.db2.gz OTXVJJZZBOBSEB-KBPBESRZSA-N 1 1 293.455 2.903 20 30 CFEDMO COc1ccccc1OCC[N@@H+](C)[C@@H](C)CCC#N ZINC000411180237 618342274 /nfs/dbraw/zinc/34/22/74/618342274.db2.gz RDSJZBATSNNWBE-ZDUSSCGKSA-N 1 1 262.353 2.698 20 30 CFEDMO C=CC[N@@H+](Cc1c(C)noc1CC)[C@@H](C)COC ZINC000930932113 618342464 /nfs/dbraw/zinc/34/24/64/618342464.db2.gz HRHFREIEWQSODQ-NSHDSACASA-N 1 1 252.358 2.568 20 30 CFEDMO C=CC[N@H+](Cc1c(C)noc1CC)[C@@H](C)COC ZINC000930932113 618342471 /nfs/dbraw/zinc/34/24/71/618342471.db2.gz HRHFREIEWQSODQ-NSHDSACASA-N 1 1 252.358 2.568 20 30 CFEDMO CC[N@H+]1CCC(=NNC2CCC(F)(F)CC2)[C@H](C)C1 ZINC000901345886 620797874 /nfs/dbraw/zinc/79/78/74/620797874.db2.gz ZZIYBCSALHMTRL-LLVKDONJSA-N 1 1 273.371 2.872 20 30 CFEDMO C#CC[N@H+]1CCCC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001024537389 618352745 /nfs/dbraw/zinc/35/27/45/618352745.db2.gz FBPFEJNFNHAPTR-AWEZNQCLSA-N 1 1 290.432 2.582 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)sc1C ZINC001024537389 618352757 /nfs/dbraw/zinc/35/27/57/618352757.db2.gz FBPFEJNFNHAPTR-AWEZNQCLSA-N 1 1 290.432 2.582 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCCCCCC1 ZINC001024545506 618358941 /nfs/dbraw/zinc/35/89/41/618358941.db2.gz JOKGUDULZNSRPN-QGZVFWFLSA-N 1 1 290.451 2.951 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001024550883 618363893 /nfs/dbraw/zinc/36/38/93/618363893.db2.gz ODWGQIBUVAMTRX-BZUAXINKSA-N 1 1 290.451 2.663 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@]12C[C@H]1CCC2 ZINC001024564559 618378082 /nfs/dbraw/zinc/37/80/82/618378082.db2.gz KQRZFTIQFQKLMY-HLLBOEOZSA-N 1 1 276.424 2.723 20 30 CFEDMO COC(=O)[C@H]1C[C@@H]([N@@H+](C)CCCCC2(C#N)CCC2)C1 ZINC000931064382 618399528 /nfs/dbraw/zinc/39/95/28/618399528.db2.gz QUISSYNFTNGQOQ-OKILXGFUSA-N 1 1 278.396 2.734 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC1(C)C ZINC001024607078 618413923 /nfs/dbraw/zinc/41/39/23/618413923.db2.gz AKSUQPBCLXFPHT-LSDHHAIUSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001024607072 618413935 /nfs/dbraw/zinc/41/39/35/618413935.db2.gz AKSUQPBCLXFPHT-CABCVRRESA-N 1 1 278.440 2.969 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)co1 ZINC001024614340 618420198 /nfs/dbraw/zinc/42/01/98/618420198.db2.gz GXPSLXFYKBMYNJ-AWEZNQCLSA-N 1 1 276.380 2.748 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CCC(=C)CC1 ZINC001024633592 618426616 /nfs/dbraw/zinc/42/66/16/618426616.db2.gz LJRUPINLUVGYJS-KRWDZBQOSA-N 1 1 288.435 2.727 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCC(F)CC1 ZINC001024638296 618427996 /nfs/dbraw/zinc/42/79/96/618427996.db2.gz TWCKRXSFLSFDJB-UYSNPLJNSA-N 1 1 294.414 2.509 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC(C)C ZINC001024662465 618436414 /nfs/dbraw/zinc/43/64/14/618436414.db2.gz XYTOSGGXUJPMAV-OWCLPIDISA-N 1 1 278.440 2.825 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001024664673 618437310 /nfs/dbraw/zinc/43/73/10/618437310.db2.gz WEDXSXMEOJHSAR-QLFBSQMISA-N 1 1 264.413 2.579 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001024686243 618443536 /nfs/dbraw/zinc/44/35/36/618443536.db2.gz ZNKLUMJJFWFAJY-CABCVRRESA-N 1 1 276.424 2.723 20 30 CFEDMO Cc1cc(CO[NH+]=C(N)C23CC4CC(CC(C4)C2)C3)on1 ZINC000177547983 618446927 /nfs/dbraw/zinc/44/69/27/618446927.db2.gz PMUKBCRAMZHMES-UHFFFAOYSA-N 1 1 289.379 2.988 20 30 CFEDMO C[C@H]([NH3+])[C@@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccccc1 ZINC000925681657 618463040 /nfs/dbraw/zinc/46/30/40/618463040.db2.gz PQWVQYWBTZBCPZ-DARAHFNDSA-N 1 1 257.381 2.747 20 30 CFEDMO CC(C)(O)[C@H]1CCC[N@H+](CC(C)(C)CCC#N)C1 ZINC000877797757 618468063 /nfs/dbraw/zinc/46/80/63/618468063.db2.gz YLMLRKWICFVQCT-ZDUSSCGKSA-N 1 1 252.402 2.799 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)c1cc2ccccc2[nH]1 ZINC001024793135 618470460 /nfs/dbraw/zinc/47/04/60/618470460.db2.gz RLUNYFMHTGBNLD-OAHLLOKOSA-N 1 1 297.402 2.938 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(C)cc1C ZINC001024788922 618471415 /nfs/dbraw/zinc/47/14/15/618471415.db2.gz PHABXLGIRMHTOV-INIZCTEOSA-N 1 1 284.403 2.521 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)CCC2 ZINC001024794525 618473013 /nfs/dbraw/zinc/47/30/13/618473013.db2.gz MLMFXUQHSDZVQE-SFHVURJKSA-N 1 1 298.430 2.946 20 30 CFEDMO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001024809233 618475714 /nfs/dbraw/zinc/47/57/14/618475714.db2.gz RTSIHGMRKMOSAP-UPTPFMHGSA-N 1 1 288.435 2.561 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC(CC1)CC2 ZINC001024809233 618475716 /nfs/dbraw/zinc/47/57/16/618475716.db2.gz RTSIHGMRKMOSAP-UPTPFMHGSA-N 1 1 288.435 2.561 20 30 CFEDMO C=CCNN=CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000794999916 618521685 /nfs/dbraw/zinc/52/16/85/618521685.db2.gz SQKUDCAAAODPJS-UHFFFAOYSA-N 1 1 259.397 2.906 20 30 CFEDMO C=CCNN=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000794999068 618521699 /nfs/dbraw/zinc/52/16/99/618521699.db2.gz WJWCMCOBMHYFIG-MRXNPFEDSA-N 1 1 257.381 2.660 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895314548 618528410 /nfs/dbraw/zinc/52/84/10/618528410.db2.gz XBCAVPIFVLDJKF-CYBMUJFWSA-N 1 1 258.369 2.734 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895314548 618528414 /nfs/dbraw/zinc/52/84/14/618528414.db2.gz XBCAVPIFVLDJKF-CYBMUJFWSA-N 1 1 258.369 2.734 20 30 CFEDMO COC1CCC(C[N@H+]2CCC[C@H](CC#N)C2)CC1 ZINC000895312917 618529876 /nfs/dbraw/zinc/52/98/76/618529876.db2.gz AAURKPULDSFTRA-WLYUNCDWSA-N 1 1 250.386 2.817 20 30 CFEDMO COC1CCC(C[N@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC000895312916 618530307 /nfs/dbraw/zinc/53/03/07/618530307.db2.gz AAURKPULDSFTRA-NFOMZHRRSA-N 1 1 250.386 2.817 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+]([C@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000895337071 618538655 /nfs/dbraw/zinc/53/86/55/618538655.db2.gz DKBDFJBWOOLOCF-ILXRZTDVSA-N 1 1 283.387 2.908 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+]1CCCC[C@@H]1[C@H](C)CN(C)C ZINC000895382067 618560708 /nfs/dbraw/zinc/56/07/08/618560708.db2.gz ZKJAFTAGPQSPSZ-BZUAXINKSA-N 1 1 265.445 2.978 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCCC[C@@H]1[C@H](C)CN(C)C ZINC000895382067 618560714 /nfs/dbraw/zinc/56/07/14/618560714.db2.gz ZKJAFTAGPQSPSZ-BZUAXINKSA-N 1 1 265.445 2.978 20 30 CFEDMO C=CC[C@H]1CC[N@@H+](Cc2ccc3oc(=O)oc3c2)C1 ZINC000895390065 618563422 /nfs/dbraw/zinc/56/34/22/618563422.db2.gz RAUROIASVXBNNV-NSHDSACASA-N 1 1 259.305 2.784 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000895391443 618563849 /nfs/dbraw/zinc/56/38/49/618563849.db2.gz YZNXBSSIEWMTPZ-ZDUSSCGKSA-N 1 1 259.349 2.554 20 30 CFEDMO CCn1cc(C[NH2+]CC2(C#N)CCCCC2)c(C)n1 ZINC000895403630 618574863 /nfs/dbraw/zinc/57/48/63/618574863.db2.gz OFSNAFMGNJOXQC-UHFFFAOYSA-N 1 1 260.385 2.775 20 30 CFEDMO C=C(C)C[C@@H]([NH2+][C@H]1CCOC2(CCCCC2)C1)C(=O)OC ZINC000895442598 618589073 /nfs/dbraw/zinc/58/90/73/618589073.db2.gz CYDJXJCHFNABQN-LSDHHAIUSA-N 1 1 295.423 2.966 20 30 CFEDMO COc1nccc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1F ZINC000892521295 618606342 /nfs/dbraw/zinc/60/63/42/618606342.db2.gz PHYRDAWDRHQGPK-NSHDSACASA-N 1 1 285.322 2.952 20 30 CFEDMO N#Cc1cccc(OCCCO[NH+]=C(N)C2CCCC2)c1 ZINC000177942581 618614496 /nfs/dbraw/zinc/61/44/96/618614496.db2.gz HCZJYSXGEXJEAM-UHFFFAOYSA-N 1 1 287.363 2.806 20 30 CFEDMO C#C[C@@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000229959096 618649106 /nfs/dbraw/zinc/64/91/06/618649106.db2.gz MBLNEWBQTBXHJJ-JTQLQIEISA-N 1 1 252.701 2.750 20 30 CFEDMO C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[C@@H]1C ZINC001017860990 618674382 /nfs/dbraw/zinc/67/43/82/618674382.db2.gz MIJJKOPHMBXSNP-NXOAAHMSSA-N 1 1 288.435 2.511 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001007389709 618675397 /nfs/dbraw/zinc/67/53/97/618675397.db2.gz BEAKABNDJVQPIV-SJORKVTESA-N 1 1 288.435 2.727 20 30 CFEDMO CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC(C)=C(C)C2)C1 ZINC001007389709 618675400 /nfs/dbraw/zinc/67/54/00/618675400.db2.gz BEAKABNDJVQPIV-SJORKVTESA-N 1 1 288.435 2.727 20 30 CFEDMO CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(C#N)c1[O-] ZINC000924591035 618705784 /nfs/dbraw/zinc/70/57/84/618705784.db2.gz DYRZSJKIDQIXIT-KRWDZBQOSA-N 1 1 299.418 2.931 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000678049614 618740388 /nfs/dbraw/zinc/74/03/88/618740388.db2.gz MYKUJXKWLUMCGV-WMLDXEAASA-N 1 1 277.408 2.743 20 30 CFEDMO CCCCc1noc([C@@H](C)O[NH+]=C(N)C2CCCC2)n1 ZINC000172381527 618745131 /nfs/dbraw/zinc/74/51/31/618745131.db2.gz QKHZECYOAGYQJV-SNVBAGLBSA-N 1 1 280.372 2.952 20 30 CFEDMO C=C(C)C[NH+]1CCC(NCc2cnc(F)cc2C)CC1 ZINC000892881180 618762583 /nfs/dbraw/zinc/76/25/83/618762583.db2.gz QDHKIXOSVBKQJK-UHFFFAOYSA-N 1 1 277.387 2.659 20 30 CFEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(C(C)(C)O)cc1 ZINC000926874596 618778623 /nfs/dbraw/zinc/77/86/23/618778623.db2.gz RFHAFRCKDAKDAR-GFCCVEGCSA-N 1 1 258.365 2.868 20 30 CFEDMO C=C1CCC(C(=O)O[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000892963953 618784756 /nfs/dbraw/zinc/78/47/56/618784756.db2.gz XVZPSNFFNJPMDF-CABCVRRESA-N 1 1 263.381 2.903 20 30 CFEDMO CCCCC(N)=[NH+]OCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000177566411 618828020 /nfs/dbraw/zinc/82/80/20/618828020.db2.gz DDEGFXNKFHUFNX-KBPBESRZSA-N 1 1 295.427 2.647 20 30 CFEDMO C[C@H](O)CN(C)[NH+]=Cc1c(Cl)cccc1N1CCCC1 ZINC000841651564 618856011 /nfs/dbraw/zinc/85/60/11/618856011.db2.gz PHQILBOAGCLWLH-LBPRGKRZSA-N 1 1 295.814 2.587 20 30 CFEDMO COc1ccccc1OCCO[NH+]=C(N)CCC(C)C ZINC000181605319 618881439 /nfs/dbraw/zinc/88/14/39/618881439.db2.gz NUKNMQUHHRVORE-UHFFFAOYSA-N 1 1 280.368 2.799 20 30 CFEDMO NC(=[NH+]OCc1cc(F)ccc1F)C1CCCC1 ZINC000194254014 618933814 /nfs/dbraw/zinc/93/38/14/618933814.db2.gz ADUXYEOINKZLAW-UHFFFAOYSA-N 1 1 254.280 2.944 20 30 CFEDMO CN1C[C@]2(C)C[N@@H+](CC3CCC(C#N)CC3)C[C@]2(C)C1 ZINC000931317260 618942025 /nfs/dbraw/zinc/94/20/25/618942025.db2.gz NVQKHMKGWYXKAW-UCUFBTAOSA-N 1 1 275.440 2.590 20 30 CFEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccc3cnccc3c2)C1 ZINC001009110693 618979325 /nfs/dbraw/zinc/97/93/25/618979325.db2.gz RENNSDRSXUSQOE-KRWDZBQOSA-N 1 1 295.386 2.615 20 30 CFEDMO CC#CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001009434111 618993676 /nfs/dbraw/zinc/99/36/76/618993676.db2.gz JXTYBEFYUHEJNM-QGZVFWFLSA-N 1 1 298.430 2.829 20 30 CFEDMO CC#CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)cc(C)cc2C)C1 ZINC001009434111 618993677 /nfs/dbraw/zinc/99/36/77/618993677.db2.gz JXTYBEFYUHEJNM-QGZVFWFLSA-N 1 1 298.430 2.829 20 30 CFEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)CCC3)C1 ZINC001009457654 618994458 /nfs/dbraw/zinc/99/44/58/618994458.db2.gz KCYCGJHBPYVBKQ-GOSISDBHSA-N 1 1 298.430 2.946 20 30 CFEDMO C#CC[N@H+](C[C@H](O)CCc1ccccc1)C1CCCC1 ZINC000182461057 625310450 /nfs/dbraw/zinc/31/04/50/625310450.db2.gz JIOUAMBWQOPNDC-GOSISDBHSA-N 1 1 271.404 2.858 20 30 CFEDMO Cc1cc(C[N@@H+](C)CCc2cccc(C#N)c2)c(C)nn1 ZINC000931510454 619017171 /nfs/dbraw/zinc/01/71/71/619017171.db2.gz UMHBZRLWDZINQT-UHFFFAOYSA-N 1 1 280.375 2.640 20 30 CFEDMO C=CCS(=O)(=O)CC[NH2+]Cc1cc(C(C)(C)C)oc1C ZINC000893506013 619025214 /nfs/dbraw/zinc/02/52/14/619025214.db2.gz RIZVWEFBSNQZDW-UHFFFAOYSA-N 1 1 299.436 2.576 20 30 CFEDMO C#CC[NH+](CC#C)Cc1ccc(OCCC)c(OC)c1 ZINC000093475536 619028880 /nfs/dbraw/zinc/02/88/80/619028880.db2.gz VGGOONZNWDSMGI-UHFFFAOYSA-N 1 1 271.360 2.552 20 30 CFEDMO C[C@@]1(Br)C[C@@H]1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000893524119 619035709 /nfs/dbraw/zinc/03/57/09/619035709.db2.gz JOLBYMFYMAHXMV-IJLUTSLNSA-N 1 1 271.202 2.786 20 30 CFEDMO C[C@@]1(Br)C[C@@H]1C[N@H+]1CCC[C@](C)(C#N)C1 ZINC000893524119 619035712 /nfs/dbraw/zinc/03/57/12/619035712.db2.gz JOLBYMFYMAHXMV-IJLUTSLNSA-N 1 1 271.202 2.786 20 30 CFEDMO C=C(C)CC[N@@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832389717 625312278 /nfs/dbraw/zinc/31/22/78/625312278.db2.gz JWWTVAZFJFAFHV-UHFFFAOYSA-N 1 1 254.399 2.769 20 30 CFEDMO C=C(C)CC[N@H+](C)Cc1csc(C(C)(C)O)n1 ZINC000832389717 625312283 /nfs/dbraw/zinc/31/22/83/625312283.db2.gz JWWTVAZFJFAFHV-UHFFFAOYSA-N 1 1 254.399 2.769 20 30 CFEDMO CCC(Cc1ccc(Cl)cc1Cl)N=NC1=[NH+]CCN1 ZINC000841658658 619054072 /nfs/dbraw/zinc/05/40/72/619054072.db2.gz HBWXOQCHDGIHLI-UHFFFAOYSA-N 1 1 299.205 2.851 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000931620102 619061903 /nfs/dbraw/zinc/06/19/03/619061903.db2.gz DCZFDYIFIIFILO-ROUUACIJSA-N 1 1 283.419 2.844 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000931620102 619061904 /nfs/dbraw/zinc/06/19/04/619061904.db2.gz DCZFDYIFIIFILO-ROUUACIJSA-N 1 1 283.419 2.844 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000931620102 619061907 /nfs/dbraw/zinc/06/19/07/619061907.db2.gz DCZFDYIFIIFILO-ROUUACIJSA-N 1 1 283.419 2.844 20 30 CFEDMO C#CCOc1ccc(C[NH2+]CCN(C(C)C)C(C)C)cc1 ZINC000236786714 619079226 /nfs/dbraw/zinc/07/92/26/619079226.db2.gz ALDCGPSHOSOLQE-UHFFFAOYSA-N 1 1 288.435 2.907 20 30 CFEDMO N#CC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000258858158 619087101 /nfs/dbraw/zinc/08/71/01/619087101.db2.gz GURLNCHRYKTEMS-UHFFFAOYSA-N 1 1 256.349 2.795 20 30 CFEDMO C#CC[N@H+](C)[C@H]1CCN(C(=O)c2ccc(C(C)C)s2)C1 ZINC000980507717 619091564 /nfs/dbraw/zinc/09/15/64/619091564.db2.gz MNRFJSMHWVEEHQ-ZDUSSCGKSA-N 1 1 290.432 2.651 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1[C@H](C)CC[C@@H]1CO ZINC000931699159 619095441 /nfs/dbraw/zinc/09/54/41/619095441.db2.gz UNPYIPWQRBHSBX-UKRRQHHQSA-N 1 1 258.365 2.520 20 30 CFEDMO C=CCOCC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931912219 619146616 /nfs/dbraw/zinc/14/66/16/619146616.db2.gz VYDHSKWTKCVXHD-SNVBAGLBSA-N 1 1 267.266 2.555 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C2CCCCCC2)C1 ZINC001010366460 619153135 /nfs/dbraw/zinc/15/31/35/619153135.db2.gz LHHAETKHYJVFOK-OAHLLOKOSA-N 1 1 264.413 2.723 20 30 CFEDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000236880313 619201828 /nfs/dbraw/zinc/20/18/28/619201828.db2.gz ROVBRWBLTYVWSC-GJZGRUSLSA-N 1 1 289.423 2.797 20 30 CFEDMO CC[C@H](C)N(C)CC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236880313 619201833 /nfs/dbraw/zinc/20/18/33/619201833.db2.gz ROVBRWBLTYVWSC-GJZGRUSLSA-N 1 1 289.423 2.797 20 30 CFEDMO Cc1cc(F)c(C#N)c(N[C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000893914527 619242662 /nfs/dbraw/zinc/24/26/62/619242662.db2.gz NXZUJYNPECPDDB-SNVBAGLBSA-N 1 1 270.311 2.698 20 30 CFEDMO Cc1cc(F)c(C#N)c(N[C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000893914527 619242664 /nfs/dbraw/zinc/24/26/64/619242664.db2.gz NXZUJYNPECPDDB-SNVBAGLBSA-N 1 1 270.311 2.698 20 30 CFEDMO C=CCC[N@@H+](C)Cc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000893930033 619245873 /nfs/dbraw/zinc/24/58/73/619245873.db2.gz PKAXFNHOXUIHOD-UHFFFAOYSA-N 1 1 294.399 2.775 20 30 CFEDMO C=CCC[N@H+](C)Cc1c(NC(=O)OC(C)(C)C)cnn1C ZINC000893930033 619245875 /nfs/dbraw/zinc/24/58/75/619245875.db2.gz PKAXFNHOXUIHOD-UHFFFAOYSA-N 1 1 294.399 2.775 20 30 CFEDMO C=CCC[N@H+](C)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000893930291 619246395 /nfs/dbraw/zinc/24/63/95/619246395.db2.gz XMEIYMKRPCCVIR-BETUJISGSA-N 1 1 268.401 2.798 20 30 CFEDMO C=CC[N@H+](C[C@@H](C)CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000878241294 619258406 /nfs/dbraw/zinc/25/84/06/619258406.db2.gz DKVVHHKHUPYYBQ-UONOGXRCSA-N 1 1 287.469 2.734 20 30 CFEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1c1ccc(C)cc1 ZINC000738340741 619331150 /nfs/dbraw/zinc/33/11/50/619331150.db2.gz OTYXQPHSZFBKST-MAUKXSAKSA-N 1 1 284.403 2.517 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)CCO)c1ccc(Cl)cc1F ZINC000894405325 619370447 /nfs/dbraw/zinc/37/04/47/619370447.db2.gz FGZCGIKZOUWECL-RNCFNFMXSA-N 1 1 255.720 2.514 20 30 CFEDMO C=CC[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC000894495472 619402695 /nfs/dbraw/zinc/40/26/95/619402695.db2.gz ORLLKAAZLUPOFI-UHFFFAOYSA-N 1 1 290.338 2.722 20 30 CFEDMO C=CCC[N@H+](C)Cc1c2ccccc2[nH]c1C(=O)OC ZINC000894534392 619411809 /nfs/dbraw/zinc/41/18/09/619411809.db2.gz ZSWQSXLFPMERQQ-UHFFFAOYSA-N 1 1 272.348 2.962 20 30 CFEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)c1c(C)cc(C#N)cc1C ZINC000894614821 619430077 /nfs/dbraw/zinc/43/00/77/619430077.db2.gz AOBAPHLGVDFAOR-INIZCTEOSA-N 1 1 299.418 2.779 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cs1 ZINC000894706544 619448464 /nfs/dbraw/zinc/44/84/64/619448464.db2.gz FNFUTRWFYHSACM-KFWWJZLASA-N 1 1 276.405 2.745 20 30 CFEDMO N#Cc1ccc(NC[C@@H]2CC[N@H+]2C2CCCCC2)c(CO)c1 ZINC000894719738 619450421 /nfs/dbraw/zinc/45/04/21/619450421.db2.gz QVYLTFFTWPGAMW-KRWDZBQOSA-N 1 1 299.418 2.869 20 30 CFEDMO C=CCOc1ccc(C[NH2+]Cc2ocnc2C)cc1 ZINC000894739534 619455225 /nfs/dbraw/zinc/45/52/25/619455225.db2.gz PDZQWNVGGQFOCM-UHFFFAOYSA-N 1 1 258.321 2.838 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)cs1 ZINC000895493415 619540637 /nfs/dbraw/zinc/54/06/37/619540637.db2.gz RFFFSBBDXFDXLH-HNNXBMFYSA-N 1 1 299.399 2.806 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@H](OCc3ccccn3)C2)cs1 ZINC000895493415 619540640 /nfs/dbraw/zinc/54/06/40/619540640.db2.gz RFFFSBBDXFDXLH-HNNXBMFYSA-N 1 1 299.399 2.806 20 30 CFEDMO C=CC[C@@H]1CC[N@H+]([C@@H]2CCC3(C[C@@H]2F)OCCO3)C1 ZINC000895561011 619555706 /nfs/dbraw/zinc/55/57/06/619555706.db2.gz VOVYESXUUDPBEM-HZSPNIEDSA-N 1 1 269.360 2.518 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2c(Cl)n[nH]c2C2CC2)C1 ZINC000895563277 619555949 /nfs/dbraw/zinc/55/59/49/619555949.db2.gz ZBZYIRROENIXMS-JTQLQIEISA-N 1 1 263.772 2.786 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)c(C)c2)C1 ZINC000895563145 619556136 /nfs/dbraw/zinc/55/61/36/619556136.db2.gz VFMAIIMMIKVDTF-AWEZNQCLSA-N 1 1 271.360 2.627 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2c(C)nn(C(C)C)c2C)C1 ZINC000895562975 619556355 /nfs/dbraw/zinc/55/63/55/619556355.db2.gz POFBSVJDYZEOJW-HNNXBMFYSA-N 1 1 259.397 2.926 20 30 CFEDMO CN(CCC#N)c1ccc(C[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000895574877 619557737 /nfs/dbraw/zinc/55/77/37/619557737.db2.gz QDAFJWQKUVUOEO-HNNXBMFYSA-N 1 1 275.371 2.828 20 30 CFEDMO C=CCc1cc(C[N@H+]2CC[C@@H](CF)C2)cc(OC)c1O ZINC000895574771 619557813 /nfs/dbraw/zinc/55/78/13/619557813.db2.gz ZOKIHQXESDNOBU-LBPRGKRZSA-N 1 1 279.355 2.921 20 30 CFEDMO C=C1CCC(C(=O)NCCC[N@H+](C)C(C)C)CC1 ZINC000895707712 619587474 /nfs/dbraw/zinc/58/74/74/619587474.db2.gz VJGBRCOADVINEI-UHFFFAOYSA-N 1 1 252.402 2.579 20 30 CFEDMO C[C@H]1[C@H](Nc2c(Br)cccc2C#N)CC[N@@H+]1C ZINC000895736828 619597521 /nfs/dbraw/zinc/59/75/21/619597521.db2.gz LLOXTHSJANKPMK-JOYOIKCWSA-N 1 1 294.196 2.825 20 30 CFEDMO C[C@H]1[C@H](Nc2c(Br)cccc2C#N)CC[N@H+]1C ZINC000895736828 619597523 /nfs/dbraw/zinc/59/75/23/619597523.db2.gz LLOXTHSJANKPMK-JOYOIKCWSA-N 1 1 294.196 2.825 20 30 CFEDMO CCn1cc(C[N@@H+](C)CCc2cccc(C#N)c2)c(C)n1 ZINC000895784969 619606186 /nfs/dbraw/zinc/60/61/86/619606186.db2.gz ADXJYOZWDZONJF-UHFFFAOYSA-N 1 1 282.391 2.758 20 30 CFEDMO COc1ccc(C[N@@H+](C)CCc2cccc(C#N)c2)o1 ZINC000895786475 619606655 /nfs/dbraw/zinc/60/66/55/619606655.db2.gz VJKYNFRBXBBKNE-UHFFFAOYSA-N 1 1 270.332 2.834 20 30 CFEDMO C=C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000895806041 619611960 /nfs/dbraw/zinc/61/19/60/619611960.db2.gz ZUYBSTIWLDPRAS-OAHLLOKOSA-N 1 1 291.439 2.755 20 30 CFEDMO C#CCCCCCC[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895837674 619616225 /nfs/dbraw/zinc/61/62/25/619616225.db2.gz WJPSMENQEIUBFV-ZDUSSCGKSA-N 1 1 277.330 2.817 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895847467 619621921 /nfs/dbraw/zinc/62/19/21/619621921.db2.gz VCVIRBVNNQVFAP-UONOGXRCSA-N 1 1 250.386 2.817 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000895857921 619624056 /nfs/dbraw/zinc/62/40/56/619624056.db2.gz HNJOXNUGEASGGY-DJIMGWMZSA-N 1 1 299.418 2.688 20 30 CFEDMO COc1ccc(C[NH2+]Cc2ccc(SC)c(C#N)c2)nc1 ZINC000896045441 619659092 /nfs/dbraw/zinc/65/90/92/619659092.db2.gz HVTAGMJXPCIESM-UHFFFAOYSA-N 1 1 299.399 2.974 20 30 CFEDMO C=C1CCC(C(=O)NCC[N@H+](C)[C@H](C)CC)CC1 ZINC000896103953 619671344 /nfs/dbraw/zinc/67/13/44/619671344.db2.gz BPKXLLNKRQVPHZ-CYBMUJFWSA-N 1 1 252.402 2.579 20 30 CFEDMO C=C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000896182778 619688021 /nfs/dbraw/zinc/68/80/21/619688021.db2.gz XZSOAIHALCQVTA-IRXDYDNUSA-N 1 1 284.403 2.858 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000896490902 619744963 /nfs/dbraw/zinc/74/49/63/619744963.db2.gz XPOWKKOMINACHI-KBPBESRZSA-N 1 1 260.385 2.539 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccn(C)n3)C2)cc1 ZINC000896491101 619745012 /nfs/dbraw/zinc/74/50/12/619745012.db2.gz YZTUYOBQJDYRNE-QGZVFWFLSA-N 1 1 279.387 2.781 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000896490905 619745046 /nfs/dbraw/zinc/74/50/46/619745046.db2.gz XPOWKKOMINACHI-UONOGXRCSA-N 1 1 260.385 2.539 20 30 CFEDMO CN(CCC#N)c1ccc(C[N@@H+]2CCC[C@H](C#N)C2)cc1 ZINC000896502961 619751335 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CFEDMO Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000899197261 620531787 /nfs/dbraw/zinc/53/17/87/620531787.db2.gz DUAZJLUXKICCEV-AWEZNQCLSA-N 1 1 289.354 2.817 20 30 CFEDMO Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000899197261 620531789 /nfs/dbraw/zinc/53/17/89/620531789.db2.gz DUAZJLUXKICCEV-AWEZNQCLSA-N 1 1 289.354 2.817 20 30 CFEDMO COc1cccc(O)c1/C=N/CC[N@H+]1CCC(C)(C)C1 ZINC000899231812 620533823 /nfs/dbraw/zinc/53/38/23/620533823.db2.gz HIPALHXDMNSZCE-GZTJUZNOSA-N 1 1 276.380 2.552 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc(C)nc(C)c3)CCC[C@@H]12 ZINC000990905273 620925387 /nfs/dbraw/zinc/92/53/87/620925387.db2.gz FTQAWRWYJHTRLD-AEFFLSMTSA-N 1 1 299.418 2.611 20 30 CFEDMO C=C(C)C[NH+]1CCC(NCc2ccccc2NC)CC1 ZINC000902214958 620998455 /nfs/dbraw/zinc/99/84/55/620998455.db2.gz XUZQLEYYCVLSOJ-UHFFFAOYSA-N 1 1 273.424 2.858 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000801912755 621036588 /nfs/dbraw/zinc/03/65/88/621036588.db2.gz BSWCCXQNXWUZDR-XJKSGUPXSA-N 1 1 276.355 2.761 20 30 CFEDMO CC1(C)C[NH2+]CC[C@@H](NC2(c3cccc(C#N)c3)CC2)C1 ZINC000902368071 621043363 /nfs/dbraw/zinc/04/33/63/621043363.db2.gz FNPRFLFAITUNAR-MRXNPFEDSA-N 1 1 283.419 2.915 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC[C@@H]12 ZINC000990997892 621068950 /nfs/dbraw/zinc/06/89/50/621068950.db2.gz NXTHAUXYGJMRDQ-UMVBOHGHSA-N 1 1 298.377 2.721 20 30 CFEDMO CC[C@@H]([NH2+]Cc1csc(N)n1)c1ccc(C#N)cc1 ZINC000902500012 621105226 /nfs/dbraw/zinc/10/52/26/621105226.db2.gz RWAFBBAWRQVUCI-CYBMUJFWSA-N 1 1 272.377 2.838 20 30 CFEDMO CC(C)[N@@H+](CCO[C@@H](C)C#N)Cc1ccc([N+](=O)[O-])cc1 ZINC000801915452 621106385 /nfs/dbraw/zinc/10/63/85/621106385.db2.gz LMNVOZYEUQRHPO-ZDUSSCGKSA-N 1 1 291.351 2.734 20 30 CFEDMO C=CCCC[N@H+](CC)Cn1cc(C(=O)OCC)c(C)n1 ZINC000902670023 621148286 /nfs/dbraw/zinc/14/82/86/621148286.db2.gz XGPOFIQOOXYPAW-UHFFFAOYSA-N 1 1 279.384 2.614 20 30 CFEDMO CC(C)C[C@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)N(C)C ZINC000902740308 621156212 /nfs/dbraw/zinc/15/62/12/621156212.db2.gz RKZYXECHRALTLD-UKRRQHHQSA-N 1 1 274.412 2.580 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cc(C#N)ccn1 ZINC000902720780 621156737 /nfs/dbraw/zinc/15/67/37/621156737.db2.gz OSUVEKJTNYUECE-NSHDSACASA-N 1 1 281.315 2.533 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(C#N)ccn1 ZINC000902725279 621159059 /nfs/dbraw/zinc/15/90/59/621159059.db2.gz UEYAGVSPQNHHOL-LBPRGKRZSA-N 1 1 295.342 2.575 20 30 CFEDMO C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1cc(C#N)ccn1 ZINC000902728299 621159274 /nfs/dbraw/zinc/15/92/74/621159274.db2.gz PPUGFKRKVAFTOT-HUUCEWRRSA-N 1 1 286.423 2.868 20 30 CFEDMO COc1ccc(C[NH2+][C@H](C)c2cc(C#N)ccn2)cc1O ZINC000902785639 621168451 /nfs/dbraw/zinc/16/84/51/621168451.db2.gz HBMGYLGWOMIJTK-LLVKDONJSA-N 1 1 283.331 2.518 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H](CN[C@H](C)c2cc(C#N)ccn2)C1 ZINC000902793912 621178187 /nfs/dbraw/zinc/17/81/87/621178187.db2.gz ORVIGBXWHUVMDO-GDBMZVCRSA-N 1 1 286.423 2.724 20 30 CFEDMO CCCOc1ccc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)cn1 ZINC000902795988 621179687 /nfs/dbraw/zinc/17/96/87/621179687.db2.gz IVWTTXTUFNJCDQ-ZDUSSCGKSA-N 1 1 296.374 2.988 20 30 CFEDMO Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902874598 621194693 /nfs/dbraw/zinc/19/46/93/621194693.db2.gz HPUCYUMDEZSLGD-BXUZGUMPSA-N 1 1 287.388 2.707 20 30 CFEDMO C[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cc(C#N)ccn1 ZINC000902888876 621200021 /nfs/dbraw/zinc/20/00/21/621200021.db2.gz XQVNISOHXGWQIK-FZKQIMNGSA-N 1 1 292.386 2.791 20 30 CFEDMO COCCc1cc[nH+]c(N[C@H](C)c2cc(C#N)ccn2)c1 ZINC000902987295 621218033 /nfs/dbraw/zinc/21/80/33/621218033.db2.gz MMYGXHCNHDNOTB-GFCCVEGCSA-N 1 1 282.347 2.710 20 30 CFEDMO CCCC[N@@H+](C)C[C@@H](C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902993011 621219529 /nfs/dbraw/zinc/21/95/29/621219529.db2.gz ODJBGZAPEGOEKL-KGLIPLIRSA-N 1 1 274.412 2.724 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCc2ccccc2C1(C)C ZINC000801939942 621223462 /nfs/dbraw/zinc/22/34/62/621223462.db2.gz JOFCJAJRDSKHIG-ZDUSSCGKSA-N 1 1 258.365 2.708 20 30 CFEDMO C[C@H](N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(C#N)ccn1 ZINC000903044025 621240002 /nfs/dbraw/zinc/24/00/02/621240002.db2.gz JHRKOQFLSHCANB-QRTARXTBSA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@H](N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(C#N)ccn1 ZINC000903044025 621240005 /nfs/dbraw/zinc/24/00/05/621240005.db2.gz JHRKOQFLSHCANB-QRTARXTBSA-N 1 1 284.407 2.621 20 30 CFEDMO C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1cc(C#N)ccn1 ZINC000903054281 621243273 /nfs/dbraw/zinc/24/32/73/621243273.db2.gz WEZVQGRRSSLZBE-BZNIZROVSA-N 1 1 279.343 2.997 20 30 CFEDMO C[C@@H](NCC(C)(C)C#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000903100774 621252708 /nfs/dbraw/zinc/25/27/08/621252708.db2.gz XJYTUKNNCIEGEQ-CQSZACIVSA-N 1 1 289.423 2.827 20 30 CFEDMO COCCOc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000903101411 621253171 /nfs/dbraw/zinc/25/31/71/621253171.db2.gz HRFQJNZUHUXFCI-CYBMUJFWSA-N 1 1 274.364 2.666 20 30 CFEDMO COc1ccc2c(c1F)CC[C@H]2[NH2+]CC(C)(C)C#N ZINC000903101681 621253235 /nfs/dbraw/zinc/25/32/35/621253235.db2.gz KTNWHTWFRVUUNG-GFCCVEGCSA-N 1 1 262.328 2.961 20 30 CFEDMO CC(C)[C@@H]([NH2+]CC1(C#N)CCCC1)c1cnn(C)c1 ZINC000903109583 621256437 /nfs/dbraw/zinc/25/64/37/621256437.db2.gz RXSWHIDNFKCYKA-CQSZACIVSA-N 1 1 260.385 2.791 20 30 CFEDMO N#CC1CCC(CN[C@@H]2CC[NH2+]C23CCCC3)CC1 ZINC000903481657 621391999 /nfs/dbraw/zinc/39/19/99/621391999.db2.gz IULQTQXQCOTYRP-YMAMQOFZSA-N 1 1 261.413 2.581 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000903580481 621398159 /nfs/dbraw/zinc/39/81/59/621398159.db2.gz YOEMYAVJRSKFHW-GDBMZVCRSA-N 1 1 299.418 2.730 20 30 CFEDMO N#CC1(CCCCN2CCC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000903753058 621433082 /nfs/dbraw/zinc/43/30/82/621433082.db2.gz ZJDRBGZFKGVTOW-QGZVFWFLSA-N 1 1 275.440 2.926 20 30 CFEDMO CC(C)[C@H]1CNCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903770871 621437919 /nfs/dbraw/zinc/43/79/19/621437919.db2.gz ZUYMVMALKADFMN-OAHLLOKOSA-N 1 1 263.429 2.780 20 30 CFEDMO CC(C)[C@H]1CNCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903770871 621437923 /nfs/dbraw/zinc/43/79/23/621437923.db2.gz ZUYMVMALKADFMN-OAHLLOKOSA-N 1 1 263.429 2.780 20 30 CFEDMO CC(C)[C@@H]1CNCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903770870 621438103 /nfs/dbraw/zinc/43/81/03/621438103.db2.gz ZUYMVMALKADFMN-HNNXBMFYSA-N 1 1 263.429 2.780 20 30 CFEDMO CC(C)[C@@H]1CNCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903770870 621438106 /nfs/dbraw/zinc/43/81/06/621438106.db2.gz ZUYMVMALKADFMN-HNNXBMFYSA-N 1 1 263.429 2.780 20 30 CFEDMO CC1(C)CC[NH2+]CCN1CCCCC1(C#N)CCC1 ZINC000903778657 621440108 /nfs/dbraw/zinc/44/01/08/621440108.db2.gz QMSBYTGIVNBGGV-UHFFFAOYSA-N 1 1 263.429 2.924 20 30 CFEDMO CC1(C)CCNCC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903778657 621440111 /nfs/dbraw/zinc/44/01/11/621440111.db2.gz QMSBYTGIVNBGGV-UHFFFAOYSA-N 1 1 263.429 2.924 20 30 CFEDMO CC1(C)CCNCC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903778657 621440113 /nfs/dbraw/zinc/44/01/13/621440113.db2.gz QMSBYTGIVNBGGV-UHFFFAOYSA-N 1 1 263.429 2.924 20 30 CFEDMO C[C@@H]1CN[C@@H](C)[C@H](C)[N@H+]1CCCCC1(C#N)CCC1 ZINC000903786927 621442383 /nfs/dbraw/zinc/44/23/83/621442383.db2.gz QMZYBVWNFIAYEP-ILXRZTDVSA-N 1 1 263.429 2.921 20 30 CFEDMO C[C@@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CCCCC1(C#N)CCC1 ZINC000903786927 621442385 /nfs/dbraw/zinc/44/23/85/621442385.db2.gz QMZYBVWNFIAYEP-ILXRZTDVSA-N 1 1 263.429 2.921 20 30 CFEDMO CCCC(C#N)(CCC)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000903875478 621462867 /nfs/dbraw/zinc/46/28/67/621462867.db2.gz GRAZEXAQZHVHET-CQSZACIVSA-N 1 1 279.428 2.838 20 30 CFEDMO N#CC1(CNCc2cccc3c2CC[NH2+]C3)CCCCC1 ZINC000903933244 621477352 /nfs/dbraw/zinc/47/73/52/621477352.db2.gz MXKCGPMJZXXJDS-UHFFFAOYSA-N 1 1 283.419 2.896 20 30 CFEDMO C[C@H](C[C@H]1CCC[NH2+]1)N[C@@H](C)c1cccc(C#N)c1 ZINC000903949398 621486359 /nfs/dbraw/zinc/48/63/59/621486359.db2.gz AMKSRCSISABNRZ-DVOMOZLQSA-N 1 1 257.381 2.739 20 30 CFEDMO CC(C)[N@@H+](C)CC(=O)N(O)Cc1cccc2ccccc21 ZINC000904170042 621540758 /nfs/dbraw/zinc/54/07/58/621540758.db2.gz DFGPWWMGJGFHJL-UHFFFAOYSA-N 1 1 286.375 2.898 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2csc(C)n2)no1 ZINC000904531113 621605116 /nfs/dbraw/zinc/60/51/16/621605116.db2.gz XRWSARLBECVUTF-NSHDSACASA-N 1 1 278.381 2.781 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(COCC(F)(F)F)no1 ZINC000904529275 621605163 /nfs/dbraw/zinc/60/51/63/621605163.db2.gz DMHXBZNJEMLULN-QMMMGPOBSA-N 1 1 279.262 2.505 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2nc(C)cs2)no1 ZINC000904606098 621615244 /nfs/dbraw/zinc/61/52/44/621615244.db2.gz YGMBGOGMPFQZND-VIFPVBQESA-N 1 1 264.354 2.858 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(-c2ccc(F)cn2)no1 ZINC000904683392 621621894 /nfs/dbraw/zinc/62/18/94/621621894.db2.gz QICPIBHKMWCWFP-JTQLQIEISA-N 1 1 262.288 2.627 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cncs2)no1 ZINC000904691733 621626123 /nfs/dbraw/zinc/62/61/23/621626123.db2.gz GRZDEXPYVJZXBI-MRVPVSSYSA-N 1 1 250.327 2.549 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccc3c[nH]nc3c2)no1 ZINC000904695528 621626716 /nfs/dbraw/zinc/62/67/16/621626716.db2.gz ODXFZYCWMVWWDE-ZDUSSCGKSA-N 1 1 297.362 2.893 20 30 CFEDMO CC[C@H](C[NH+]1CCOCC1)/N=C/c1cc(Cl)ccc1O ZINC000905001561 621679750 /nfs/dbraw/zinc/67/97/50/621679750.db2.gz BBRALQVGJFFELT-NGWPFTMJSA-N 1 1 296.798 2.575 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C#N)c2)C1 ZINC000905078800 621690318 /nfs/dbraw/zinc/69/03/18/621690318.db2.gz WBUGJJQPTSLLSI-CQSZACIVSA-N 1 1 271.364 2.619 20 30 CFEDMO C[N@@H+](CCNCC#Cc1ccccc1)C1CCCC1 ZINC000071377239 625507471 /nfs/dbraw/zinc/50/74/71/625507471.db2.gz MPPLARNHVCGWAF-UHFFFAOYSA-N 1 1 256.393 2.502 20 30 CFEDMO N#Cc1ccc(C2(c3nc(C4([NH3+])CC4)no3)CCCC2)cc1 ZINC000905329916 621749600 /nfs/dbraw/zinc/74/96/00/621749600.db2.gz FXGJFCRHDCCLMR-UHFFFAOYSA-N 1 1 294.358 2.749 20 30 CFEDMO CC(Cn1nc(C)cc1C)=NOCC[C@H]1CCCC[N@@H+]1C ZINC000906499230 621994110 /nfs/dbraw/zinc/99/41/10/621994110.db2.gz GJWMAVWSEYHVPA-MRXNPFEDSA-N 1 1 292.427 2.767 20 30 CFEDMO Cc1nn(CCC#N)c(C)c1OCC[C@@H]1CCCC[N@@H+]1C 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C#CC[N@@H+]1CCC[C@H]1COC(=O)c1c(C)oc2ccccc21 ZINC000767972927 627300004 /nfs/dbraw/zinc/30/00/04/627300004.db2.gz JMJYXIBSYRRACR-AWEZNQCLSA-N 1 1 297.354 2.996 20 30 CFEDMO C#C[C@@H](CC)OC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000768043978 627306227 /nfs/dbraw/zinc/30/62/27/627306227.db2.gz NRGWEZRKLQDLFK-IRXDYDNUSA-N 1 1 285.387 2.996 20 30 CFEDMO C#C[C@@H](CC)OC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000768043978 627306231 /nfs/dbraw/zinc/30/62/31/627306231.db2.gz NRGWEZRKLQDLFK-IRXDYDNUSA-N 1 1 285.387 2.996 20 30 CFEDMO COc1ccc(C[N@H+](CCC#N)CC(C)C)cc1O ZINC000768153893 627321799 /nfs/dbraw/zinc/32/17/99/627321799.db2.gz ORWTVAKQWPFVBC-UHFFFAOYSA-N 1 1 262.353 2.772 20 30 CFEDMO COc1ccc(C[N@@H+](CCC#N)CC(C)C)cc1O ZINC000768153893 627321801 /nfs/dbraw/zinc/32/18/01/627321801.db2.gz ORWTVAKQWPFVBC-UHFFFAOYSA-N 1 1 262.353 2.772 20 30 CFEDMO COc1cccc(O)c1C[N@H+](CCC#N)CC(C)C ZINC000768153910 627322003 /nfs/dbraw/zinc/32/20/03/627322003.db2.gz PLKOSTZZKHFGSY-UHFFFAOYSA-N 1 1 262.353 2.772 20 30 CFEDMO COc1cccc(O)c1C[N@@H+](CCC#N)CC(C)C ZINC000768153910 627322007 /nfs/dbraw/zinc/32/20/07/627322007.db2.gz PLKOSTZZKHFGSY-UHFFFAOYSA-N 1 1 262.353 2.772 20 30 CFEDMO C#CCOc1ccccc1C[N@H+](CCO)CCCCC ZINC000768240851 627327831 /nfs/dbraw/zinc/32/78/31/627327831.db2.gz IFJYXYKZUDVZJR-UHFFFAOYSA-N 1 1 275.392 2.683 20 30 CFEDMO C#CCOc1ccc(C[N@@H+](CC)C[C@@H]2CCOC2)cc1 ZINC000768522138 627349221 /nfs/dbraw/zinc/34/92/21/627349221.db2.gz ZQPSNYQJIIOFHV-INIZCTEOSA-N 1 1 273.376 2.557 20 30 CFEDMO C#CC[N@H+](CC)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000769112031 627403408 /nfs/dbraw/zinc/40/34/08/627403408.db2.gz WKFGJSAVYUHYMZ-UHFFFAOYSA-N 1 1 253.349 2.840 20 30 CFEDMO C#CC[N@H+](CC)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000769110792 627403623 /nfs/dbraw/zinc/40/36/23/627403623.db2.gz HYJPONRRAWRHMY-UHFFFAOYSA-N 1 1 269.348 2.540 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC000769229076 627413396 /nfs/dbraw/zinc/41/33/96/627413396.db2.gz VMKGURSXCSSHCI-BXUZGUMPSA-N 1 1 267.319 2.691 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000769314319 627423165 /nfs/dbraw/zinc/42/31/65/627423165.db2.gz XIRSWFJDDFOZRX-QGZVFWFLSA-N 1 1 295.386 2.732 20 30 CFEDMO C#CC[NH+](CC#C)Cc1ccccc1N1CCCCC1 ZINC000769442129 627439027 /nfs/dbraw/zinc/43/90/27/627439027.db2.gz IGHVKPGDLKKLKH-UHFFFAOYSA-N 1 1 266.388 2.745 20 30 CFEDMO C[C@@H](C#N)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000769544344 627454206 /nfs/dbraw/zinc/45/42/06/627454206.db2.gz JESLQQKUCCWELO-ZDUSSCGKSA-N 1 1 257.381 2.877 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000769544344 627454209 /nfs/dbraw/zinc/45/42/09/627454209.db2.gz JESLQQKUCCWELO-ZDUSSCGKSA-N 1 1 257.381 2.877 20 30 CFEDMO NC(=[NH2+])NN=Cc1c(Cl)cccc1Oc1ccccc1 ZINC000769570260 627457159 /nfs/dbraw/zinc/45/71/59/627457159.db2.gz PEZBXNWLUZEKBU-UHFFFAOYSA-N 1 1 288.738 2.949 20 30 CFEDMO C=CCCC[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000769729411 627470293 /nfs/dbraw/zinc/47/02/93/627470293.db2.gz PBDIWRMLEITVLV-UHFFFAOYSA-N 1 1 254.374 2.504 20 30 CFEDMO Cc1[nH+]c(C=NNCc2ccc(C#N)cc2)c2ccccn12 ZINC000769813744 627477216 /nfs/dbraw/zinc/47/72/16/627477216.db2.gz HHKZETRJODELBF-UHFFFAOYSA-N 1 1 289.342 2.638 20 30 CFEDMO C=C(Br)C[N@@H+]1CCC[C@@]1(CO)CCC ZINC000769912517 627486748 /nfs/dbraw/zinc/48/67/48/627486748.db2.gz FSRVHMXOJJNAAD-LLVKDONJSA-N 1 1 262.191 2.522 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CCOc1ccc(F)cc1Cl ZINC000769978077 627493790 /nfs/dbraw/zinc/49/37/90/627493790.db2.gz OUTUNHMHUVFEGG-SNVBAGLBSA-N 1 1 255.720 2.811 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000769961760 627491793 /nfs/dbraw/zinc/49/17/93/627491793.db2.gz NGGVMAINBSBEHV-JISDDCRVSA-N 1 1 259.393 2.725 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000769961760 627491797 /nfs/dbraw/zinc/49/17/97/627491797.db2.gz NGGVMAINBSBEHV-JISDDCRVSA-N 1 1 259.393 2.725 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000770375500 627516128 /nfs/dbraw/zinc/51/61/28/627516128.db2.gz RRGOJQYYNSCDKB-FUHWJXTLSA-N 1 1 299.414 2.947 20 30 CFEDMO CC(C)CNN=C1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000771566783 627614970 /nfs/dbraw/zinc/61/49/70/627614970.db2.gz JLULXURRFKDWQL-CQSZACIVSA-N 1 1 274.412 2.525 20 30 CFEDMO CC(C)CNN=C1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000771567068 627615030 /nfs/dbraw/zinc/61/50/30/627615030.db2.gz NDHHVSBYWGAVHS-CQSZACIVSA-N 1 1 259.397 2.882 20 30 CFEDMO CC(C)CNN=C1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000771567068 627615032 /nfs/dbraw/zinc/61/50/32/627615032.db2.gz NDHHVSBYWGAVHS-CQSZACIVSA-N 1 1 259.397 2.882 20 30 CFEDMO CCCCCCCC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000771573431 627615475 /nfs/dbraw/zinc/61/54/75/627615475.db2.gz NJXICSPVXDBMQW-UHFFFAOYSA-N 1 1 254.418 2.900 20 30 CFEDMO C=CC[N@@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000771640840 627620037 /nfs/dbraw/zinc/62/00/37/627620037.db2.gz KDYOIVBOGBVWLW-UHFFFAOYSA-N 1 1 286.335 2.861 20 30 CFEDMO C=CC[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000771640840 627620038 /nfs/dbraw/zinc/62/00/38/627620038.db2.gz KDYOIVBOGBVWLW-UHFFFAOYSA-N 1 1 286.335 2.861 20 30 CFEDMO C#C[C@@H](NC(=O)NCC[N@@H+]1CCCC[C@@H]1CC)C(C)(C)C ZINC000808271375 627624579 /nfs/dbraw/zinc/62/45/79/627624579.db2.gz RGZYFRISPBOSGY-LSDHHAIUSA-N 1 1 293.455 2.598 20 30 CFEDMO C=CC[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CC1 ZINC000772381906 627706972 /nfs/dbraw/zinc/70/69/72/627706972.db2.gz OGYBIHUDJSBWNF-AWEZNQCLSA-N 1 1 253.292 2.649 20 30 CFEDMO C#CCCCCC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000773232892 627798053 /nfs/dbraw/zinc/79/80/53/627798053.db2.gz QAICNZXLOWMSLV-CABCVRRESA-N 1 1 264.413 2.559 20 30 CFEDMO Cn1cc[nH+]c1[C@H]1CCCN([C@H](C#N)c2ccccc2)C1 ZINC000851989188 634617325 /nfs/dbraw/zinc/61/73/25/634617325.db2.gz GLPHNMFMDLLZEZ-JKSUJKDBSA-N 1 1 280.375 2.864 20 30 CFEDMO C=CC[C@@H]1[N@H+](C[C@H]2CCC(=O)O2)CCCC1(C)C ZINC000851989760 634617384 /nfs/dbraw/zinc/61/73/84/634617384.db2.gz KZCFGZBEUAVQHR-OLZOCXBDSA-N 1 1 251.370 2.759 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC)c(OCCC)c1 ZINC000775178452 627997963 /nfs/dbraw/zinc/99/79/63/627997963.db2.gz KBQSSVRDGKEJFV-CYBMUJFWSA-N 1 1 261.365 2.938 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc2ccccc2nc1OC ZINC000775180497 627998363 /nfs/dbraw/zinc/99/83/63/627998363.db2.gz YGXATFIUKGSISU-GFCCVEGCSA-N 1 1 254.333 2.697 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cc2ccccc2nc1OC ZINC000775180497 627998364 /nfs/dbraw/zinc/99/83/64/627998364.db2.gz YGXATFIUKGSISU-GFCCVEGCSA-N 1 1 254.333 2.697 20 30 CFEDMO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)c1nccn1C ZINC000775376936 628016473 /nfs/dbraw/zinc/01/64/73/628016473.db2.gz DVYBRKNZTGGGMQ-AWEZNQCLSA-N 1 1 254.337 2.533 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1ccc(OC)cc1OC)[C@@H]1CCCO1 ZINC000775571153 628039065 /nfs/dbraw/zinc/03/90/65/628039065.db2.gz BCZYZDWYLLOGRT-KCXAZCMYSA-N 1 1 289.375 2.535 20 30 CFEDMO C[C@H]1CCOCC[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000775570850 628039148 /nfs/dbraw/zinc/03/91/48/628039148.db2.gz WWNDAHQRJSNSRQ-LBPRGKRZSA-N 1 1 294.782 2.853 20 30 CFEDMO C[C@H]1CCOCC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000775570850 628039154 /nfs/dbraw/zinc/03/91/54/628039154.db2.gz WWNDAHQRJSNSRQ-LBPRGKRZSA-N 1 1 294.782 2.853 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1cccnc1Cl)[C@@H]1CCCO1 ZINC000775572504 628040579 /nfs/dbraw/zinc/04/05/79/628040579.db2.gz RZMIQPCXAWBTIK-DRZSPHRISA-N 1 1 264.756 2.566 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1cccnc1Cl)[C@H]1CCCO1 ZINC000775572505 628041015 /nfs/dbraw/zinc/04/10/15/628041015.db2.gz RZMIQPCXAWBTIK-KGYLQXTDSA-N 1 1 264.756 2.566 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1cnn(-c2ccccc2)c1)[C@H]1CCCO1 ZINC000775574768 628042348 /nfs/dbraw/zinc/04/23/48/628042348.db2.gz RNCZJECFVOMMIC-JCGIZDLHSA-N 1 1 295.386 2.704 20 30 CFEDMO C#CC[N@@H+](CC#CC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000775606467 628045076 /nfs/dbraw/zinc/04/50/76/628045076.db2.gz AHIUMESOCZTTLF-UHFFFAOYSA-N 1 1 264.372 2.946 20 30 CFEDMO C#CC[N@H+](CC#CC)Cc1ccc(C(C)(C)C#N)cc1 ZINC000775606467 628045079 /nfs/dbraw/zinc/04/50/79/628045079.db2.gz AHIUMESOCZTTLF-UHFFFAOYSA-N 1 1 264.372 2.946 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000775792991 628068970 /nfs/dbraw/zinc/06/89/70/628068970.db2.gz BZIDSCLNOXLCKN-OCCSQVGLSA-N 1 1 294.738 2.519 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)[C@@H]1CCCO1 ZINC000775805173 628070513 /nfs/dbraw/zinc/07/05/13/628070513.db2.gz DOMWBGZQRJQXGX-CABCVRRESA-N 1 1 288.391 2.529 20 30 CFEDMO C#CCOCC[N@H+](CCCC)Cc1ccccc1O ZINC000852017697 634627461 /nfs/dbraw/zinc/62/74/61/634627461.db2.gz DCRIXQMJXKHWNT-UHFFFAOYSA-N 1 1 261.365 2.644 20 30 CFEDMO CCCCCCNC(=O)[C@@H]1CCC[N@@H+](CC2(C#N)CC2)C1 ZINC000775961572 628088677 /nfs/dbraw/zinc/08/86/77/628088677.db2.gz NDLXTKGGEXSUKM-OAHLLOKOSA-N 1 1 291.439 2.699 20 30 CFEDMO N#CC1(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000775981673 628089936 /nfs/dbraw/zinc/08/99/36/628089936.db2.gz JBEPQBWWHFOOCB-OAHLLOKOSA-N 1 1 286.375 2.677 20 30 CFEDMO N#CC1(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000775981673 628089944 /nfs/dbraw/zinc/08/99/44/628089944.db2.gz JBEPQBWWHFOOCB-OAHLLOKOSA-N 1 1 286.375 2.677 20 30 CFEDMO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000776007902 628094349 /nfs/dbraw/zinc/09/43/49/628094349.db2.gz NXFYXUUFPXTTHA-GFCCVEGCSA-N 1 1 298.390 2.925 20 30 CFEDMO C#CCOCC[N@@H+]1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000852019576 634629173 /nfs/dbraw/zinc/62/91/73/634629173.db2.gz ZXJUSWRONLBWEJ-GFCCVEGCSA-N 1 1 275.314 2.691 20 30 CFEDMO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(Cl)cn3)n2c1 ZINC000776254905 628123148 /nfs/dbraw/zinc/12/31/48/628123148.db2.gz NSGSWGZPADVEKE-UHFFFAOYSA-N 1 1 297.749 2.544 20 30 CFEDMO C#CCOCC[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000852038447 634632855 /nfs/dbraw/zinc/63/28/55/634632855.db2.gz DKZGPTKMXUKPEV-KURKYZTESA-N 1 1 269.388 2.904 20 30 CFEDMO C#CC[N@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000852045322 634634053 /nfs/dbraw/zinc/63/40/53/634634053.db2.gz KIWQMMHNNQYBCW-FGTMMUONSA-N 1 1 296.414 2.569 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000852045322 634634059 /nfs/dbraw/zinc/63/40/59/634634059.db2.gz KIWQMMHNNQYBCW-FGTMMUONSA-N 1 1 296.414 2.569 20 30 CFEDMO C=CCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776608682 628164647 /nfs/dbraw/zinc/16/46/47/628164647.db2.gz DSUYJAHDMPZRQA-CHWSQXEVSA-N 1 1 268.401 2.892 20 30 CFEDMO C[C@@H](NC[C@@H](C1CC1)[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000776730302 628172307 /nfs/dbraw/zinc/17/23/07/628172307.db2.gz QCFFQQOTZVBHQT-BZNIZROVSA-N 1 1 275.371 2.688 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000776786978 628177926 /nfs/dbraw/zinc/17/79/26/628177926.db2.gz GRIUZBRJBFIXNZ-INIZCTEOSA-N 1 1 286.375 2.594 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000776788118 628178181 /nfs/dbraw/zinc/17/81/81/628178181.db2.gz JJSOLFVQBAJXHP-QGZVFWFLSA-N 1 1 294.402 2.980 20 30 CFEDMO C(=[NH+]OC1CCCCC1)c1cnc(N2CCCC2)nc1 ZINC000777458077 628227740 /nfs/dbraw/zinc/22/77/40/628227740.db2.gz DWUSKGLAYQVEGO-UHFFFAOYSA-N 1 1 274.368 2.760 20 30 CFEDMO CN1CCc2cc(C=[NH+]OCCC(F)(F)F)ccc21 ZINC000777456030 628227786 /nfs/dbraw/zinc/22/77/86/628227786.db2.gz RVPDZZABSQYVJT-UHFFFAOYSA-N 1 1 272.270 2.982 20 30 CFEDMO C=C(C)C[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000777959687 628267805 /nfs/dbraw/zinc/26/78/05/628267805.db2.gz YVGDNFCBQSWTDQ-UHFFFAOYSA-N 1 1 286.335 2.924 20 30 CFEDMO C=C(C)C[N@@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000777959687 628267809 /nfs/dbraw/zinc/26/78/09/628267809.db2.gz YVGDNFCBQSWTDQ-UHFFFAOYSA-N 1 1 286.335 2.924 20 30 CFEDMO C#CCOc1cccc(Cl)c1CNCC[N@H+](C)C(C)C ZINC000778165897 628282521 /nfs/dbraw/zinc/28/25/21/628282521.db2.gz VSEJJJKHBXGWRP-UHFFFAOYSA-N 1 1 294.826 2.782 20 30 CFEDMO CC[C@]1(O)CC[N@@H+](Cc2cc(Cl)ccc2OCC#N)C1 ZINC000778389572 628303425 /nfs/dbraw/zinc/30/34/25/628303425.db2.gz ZQFDNNKMOWAILU-HNNXBMFYSA-N 1 1 294.782 2.589 20 30 CFEDMO Cc1[nH+]ccn1CCOC(=O)c1ccc(C#N)c(Cl)c1 ZINC000778542556 628313669 /nfs/dbraw/zinc/31/36/69/628313669.db2.gz IYLZGFCUHSIBBZ-UHFFFAOYSA-N 1 1 289.722 2.574 20 30 CFEDMO CC(C)OCCNN=C1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000778548308 628314606 /nfs/dbraw/zinc/31/46/06/628314606.db2.gz UIRPVCRVYMGRBL-HNNXBMFYSA-N 1 1 289.423 2.651 20 30 CFEDMO CC(C)OCCNN=C1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000778548308 628314608 /nfs/dbraw/zinc/31/46/08/628314608.db2.gz UIRPVCRVYMGRBL-HNNXBMFYSA-N 1 1 289.423 2.651 20 30 CFEDMO C#CCOCC[N@H+]1[C@H](C)C[C@H](c2ccccc2)[C@H]1C ZINC000852096420 634650877 /nfs/dbraw/zinc/65/08/77/634650877.db2.gz BKDAMAJZJBHDHK-INMHGKMJSA-N 1 1 257.377 2.903 20 30 CFEDMO C=CC[C@H](C(=O)N1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000778932610 628340252 /nfs/dbraw/zinc/34/02/52/628340252.db2.gz HHMVZVNJNJOFHI-HOCLYGCPSA-N 1 1 272.392 2.509 20 30 CFEDMO C=CC[C@H](C(=O)N1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000778932610 628340254 /nfs/dbraw/zinc/34/02/54/628340254.db2.gz HHMVZVNJNJOFHI-HOCLYGCPSA-N 1 1 272.392 2.509 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[NH+]1CCC(CO)CC1 ZINC000779148168 628355175 /nfs/dbraw/zinc/35/51/75/628355175.db2.gz YHSIZLCQPPKAQH-UHFFFAOYSA-N 1 1 293.794 2.556 20 30 CFEDMO CN(CCC#N)c1ccc(C[N@@H+]2CC=CCC2)cc1 ZINC000779159636 628356586 /nfs/dbraw/zinc/35/65/86/628356586.db2.gz OHGWGTNIUDOPCW-UHFFFAOYSA-N 1 1 255.365 2.798 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000779166229 628357636 /nfs/dbraw/zinc/35/76/36/628357636.db2.gz VZABQVOUXZTCBG-STQMWFEESA-N 1 1 293.794 2.555 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1C[C@@H](CC)[C@H](O)C1 ZINC000779168234 628357796 /nfs/dbraw/zinc/35/77/96/628357796.db2.gz MRRJTPBLSPDCAO-IUODEOHRSA-N 1 1 293.794 2.555 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@](O)(CC)C1 ZINC000779220153 628361048 /nfs/dbraw/zinc/36/10/48/628361048.db2.gz ZBCYAHDWHUJDMS-INIZCTEOSA-N 1 1 293.794 2.699 20 30 CFEDMO C[C@@H]1C[NH+]=C(NN=C2CCc3cc(Cl)cc(Cl)c32)N1 ZINC000779792065 628406686 /nfs/dbraw/zinc/40/66/86/628406686.db2.gz ISDHHLQYQQHGRI-SSDOTTSWSA-N 1 1 297.189 2.581 20 30 CFEDMO COc1ccc(C(C)=NNC2=[NH+]C[C@H](C)N2)c2ccccc12 ZINC000779803801 628408266 /nfs/dbraw/zinc/40/82/66/628408266.db2.gz VSWVTLYBPSWTEU-NSHDSACASA-N 1 1 296.374 2.510 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1c(Cl)nc2ccccn21 ZINC000779808230 628408503 /nfs/dbraw/zinc/40/85/03/628408503.db2.gz DQZZGHZSQXNAAE-UHFFFAOYSA-N 1 1 285.738 2.641 20 30 CFEDMO c1ccc2c(c1)SCCC2=NNc1cc[nH+]cc1 ZINC000779808773 628408647 /nfs/dbraw/zinc/40/86/47/628408647.db2.gz AHTVHEPHDCISRZ-UHFFFAOYSA-N 1 1 255.346 2.816 20 30 CFEDMO FC(F)SCc1ccc(C=NNc2cc[nH+]cc2)o1 ZINC000779810209 628409132 /nfs/dbraw/zinc/40/91/32/628409132.db2.gz ZLMKNCKUMCXZDB-UHFFFAOYSA-N 1 1 283.303 2.998 20 30 CFEDMO CCOc1cccc(C(C)=NNc2cc[nH+]cc2)c1 ZINC000779810157 628409319 /nfs/dbraw/zinc/40/93/19/628409319.db2.gz XKWZSBCEHBCDQP-UHFFFAOYSA-N 1 1 255.321 2.738 20 30 CFEDMO COc1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCCO2 ZINC000779811098 628409803 /nfs/dbraw/zinc/40/98/03/628409803.db2.gz CWGOUQBPJPIYHQ-UHFFFAOYSA-N 1 1 283.331 2.501 20 30 CFEDMO c1ccc(C(C[C@@H]2CCOC2)=NNc2cc[nH+]cc2)cc1 ZINC000779811232 628409881 /nfs/dbraw/zinc/40/98/81/628409881.db2.gz NGTAJMKNRSSMRL-AWEZNQCLSA-N 1 1 281.359 2.746 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1ccc(C)c(C)c1O ZINC000779812618 628409970 /nfs/dbraw/zinc/40/99/70/628409970.db2.gz USECIRPMCSMJSG-UHFFFAOYSA-N 1 1 255.321 2.662 20 30 CFEDMO COC(=O)c1cccc(N[NH+]=Cc2ccc(N(C)C)cc2)c1 ZINC000779827645 628412184 /nfs/dbraw/zinc/41/21/84/628412184.db2.gz LZYLWYCFZBDOCG-UHFFFAOYSA-N 1 1 297.358 2.985 20 30 CFEDMO C#CCCCCCC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000779892198 628416978 /nfs/dbraw/zinc/41/69/78/628416978.db2.gz VDLBZTLBQVBADA-UHFFFAOYSA-N 1 1 284.403 2.702 20 30 CFEDMO C#C[C@](C)(CC)[NH2+]Cc1nc2sc(C)c(C)c2c(N)n1 ZINC000852102576 634656820 /nfs/dbraw/zinc/65/68/20/634656820.db2.gz ZHUZHUPTPGPDDK-OAHLLOKOSA-N 1 1 288.420 2.782 20 30 CFEDMO C#C[C@](C)(CC)[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000852102778 634657699 /nfs/dbraw/zinc/65/76/99/634657699.db2.gz PSGNFDXLJJDDCW-CZUORRHYSA-N 1 1 268.364 2.720 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000780892947 628502814 /nfs/dbraw/zinc/50/28/14/628502814.db2.gz MXYQYLSUQPMOEK-UHFFFAOYSA-N 1 1 289.375 2.590 20 30 CFEDMO C=CCOc1ccccc1C[N@H+]1CCCC2(C1)OCCO2 ZINC000780892947 628502816 /nfs/dbraw/zinc/50/28/16/628502816.db2.gz MXYQYLSUQPMOEK-UHFFFAOYSA-N 1 1 289.375 2.590 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000781532375 628557166 /nfs/dbraw/zinc/55/71/66/628557166.db2.gz OZDRDABIOHROOJ-HNNXBMFYSA-N 1 1 295.329 2.902 20 30 CFEDMO COC(C[N@H+](Cc1ccc(C#N)cc1)CC(C)C)OC ZINC000781883089 628588852 /nfs/dbraw/zinc/58/88/52/628588852.db2.gz LHACGWKRKHCDJO-UHFFFAOYSA-N 1 1 276.380 2.635 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1ccc(Cl)cc1F)[C@@H]1CCCO1 ZINC000781917601 628591025 /nfs/dbraw/zinc/59/10/25/628591025.db2.gz MOWZPHVXNXGUSI-KGLIPLIRSA-N 1 1 267.731 2.750 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CNCC2([NH+](C)C)CCC2)cc1 ZINC000782536217 628644094 /nfs/dbraw/zinc/64/40/94/628644094.db2.gz RHEKBPDGYHQSMF-CQSZACIVSA-N 1 1 287.407 2.551 20 30 CFEDMO CC(=[NH+]N[C@@H](C)CC#N)c1ccc(N)cc1Cl ZINC000782907835 628663228 /nfs/dbraw/zinc/66/32/28/628663228.db2.gz KWBOHDXEAXFUSP-QMMMGPOBSA-N 1 1 250.733 2.538 20 30 CFEDMO CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783294423 628698139 /nfs/dbraw/zinc/69/81/39/628698139.db2.gz QEKHBVZGCYYHHY-LBPRGKRZSA-N 1 1 266.348 2.761 20 30 CFEDMO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C#N)cn2)s1 ZINC000783301284 628698991 /nfs/dbraw/zinc/69/89/91/628698991.db2.gz UZTJOSAMZXKXMS-VIFPVBQESA-N 1 1 272.377 2.877 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CC[C@H](O)C(C)(C)C2)cc1 ZINC000783727811 628738564 /nfs/dbraw/zinc/73/85/64/628738564.db2.gz FMQYNUKZNYWWKF-BBRMVZONSA-N 1 1 288.391 2.570 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1 ZINC000783745510 628741052 /nfs/dbraw/zinc/74/10/52/628741052.db2.gz NKYBBEHROOYTHD-LBPRGKRZSA-N 1 1 299.399 2.992 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCc3ncsc3C2)cc1 ZINC000783745510 628741054 /nfs/dbraw/zinc/74/10/54/628741054.db2.gz NKYBBEHROOYTHD-LBPRGKRZSA-N 1 1 299.399 2.992 20 30 CFEDMO C=C(C)C[NH2+]Cc1cnn(-c2cc(C)cc(C)c2)n1 ZINC000783752306 628741396 /nfs/dbraw/zinc/74/13/96/628741396.db2.gz BPGRINKNOIOARG-UHFFFAOYSA-N 1 1 256.353 2.550 20 30 CFEDMO COc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)c(O)cc1C ZINC000784017127 628764106 /nfs/dbraw/zinc/76/41/06/628764106.db2.gz ZXFSMNXWFGQZLA-MRXNPFEDSA-N 1 1 274.364 2.835 20 30 CFEDMO COc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)c(O)cc1C ZINC000784017127 628764109 /nfs/dbraw/zinc/76/41/09/628764109.db2.gz ZXFSMNXWFGQZLA-MRXNPFEDSA-N 1 1 274.364 2.835 20 30 CFEDMO C#CCOCC[N@@H+]1CCC[C@H]1Cc1cc(F)ccc1F ZINC000852182594 634682316 /nfs/dbraw/zinc/68/23/16/634682316.db2.gz ZAPGOIQRRPAORA-HNNXBMFYSA-N 1 1 279.330 2.622 20 30 CFEDMO CC(C)[N@H+](CCO[C@@H](C)C#N)CCN1CCCCCC1 ZINC000805760007 628808635 /nfs/dbraw/zinc/80/86/35/628808635.db2.gz ZMDLREITGXFPLZ-INIZCTEOSA-N 1 1 281.444 2.501 20 30 CFEDMO CC(C)[N@@H+](CCO[C@@H](C)C#N)CCN1CCCCCC1 ZINC000805760007 628808638 /nfs/dbraw/zinc/80/86/38/628808638.db2.gz ZMDLREITGXFPLZ-INIZCTEOSA-N 1 1 281.444 2.501 20 30 CFEDMO N#CCOc1ccc(Cl)cc1C[N@H+](CCO)C1CCC1 ZINC000784393097 628813845 /nfs/dbraw/zinc/81/38/45/628813845.db2.gz SKWUCVRFKHFYQU-UHFFFAOYSA-N 1 1 294.782 2.589 20 30 CFEDMO C#CCCC[N@@H+](CCN1CCCCCC1)C(C)C ZINC000805760407 628814309 /nfs/dbraw/zinc/81/43/09/628814309.db2.gz KNPQSFKOFLTWSH-UHFFFAOYSA-N 1 1 250.430 2.986 20 30 CFEDMO C#CCCCN(CC[NH+]1CCCCCC1)C(C)C ZINC000805760407 628814312 /nfs/dbraw/zinc/81/43/12/628814312.db2.gz KNPQSFKOFLTWSH-UHFFFAOYSA-N 1 1 250.430 2.986 20 30 CFEDMO C=C(Cl)C[N@H+]1[C@H](C)[C@H](C(=O)OCC)CC[C@@H]1C ZINC000852203234 634686978 /nfs/dbraw/zinc/68/69/78/634686978.db2.gz WFDUCROKDPNFPS-QJPTWQEYSA-N 1 1 259.777 2.791 20 30 CFEDMO CC#CC[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784503653 628822261 /nfs/dbraw/zinc/82/22/61/628822261.db2.gz DYVVDBYHUBTDIU-SOUVJXGZSA-N 1 1 292.423 2.635 20 30 CFEDMO CC#CC[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784503649 628822372 /nfs/dbraw/zinc/82/23/72/628822372.db2.gz DYVVDBYHUBTDIU-KKUMJFAQSA-N 1 1 292.423 2.635 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2cnc3ccccc3n2)C1 ZINC000852205920 634688333 /nfs/dbraw/zinc/68/83/33/634688333.db2.gz AYTIYWBESRESIA-AWEZNQCLSA-N 1 1 265.360 2.865 20 30 CFEDMO C=CCC[N@H+](C)Cn1nc(C)c(Br)c1C ZINC000786100664 628936948 /nfs/dbraw/zinc/93/69/48/628936948.db2.gz DFQFWHUXXQDUHG-UHFFFAOYSA-N 1 1 272.190 2.728 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCc1ccc(C#N)cc1F ZINC000785732609 628908431 /nfs/dbraw/zinc/90/84/31/628908431.db2.gz OEBKBTPDBLRPFI-TXEJJXNPSA-N 1 1 290.338 2.613 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)OCc1ccc(C#N)cc1F ZINC000785732609 628908433 /nfs/dbraw/zinc/90/84/33/628908433.db2.gz OEBKBTPDBLRPFI-TXEJJXNPSA-N 1 1 290.338 2.613 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785998297 628929503 /nfs/dbraw/zinc/92/95/03/628929503.db2.gz CBNJWOWIBVSXHK-CHWSQXEVSA-N 1 1 268.401 2.940 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000805799469 628941685 /nfs/dbraw/zinc/94/16/85/628941685.db2.gz DFICVXXJAFFTTP-IHRRRGAJSA-N 1 1 280.412 2.776 20 30 CFEDMO C=CCC[N@@H+](C)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000786443303 628957006 /nfs/dbraw/zinc/95/70/06/628957006.db2.gz ITWMIBZVIMXPQC-UHFFFAOYSA-N 1 1 287.812 2.622 20 30 CFEDMO C=CCC[N@H+](C)CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000786443303 628957009 /nfs/dbraw/zinc/95/70/09/628957009.db2.gz ITWMIBZVIMXPQC-UHFFFAOYSA-N 1 1 287.812 2.622 20 30 CFEDMO C=CCC[N@H+](C)CCOc1ccc(/C=C\C(=O)OC)cc1 ZINC000786447223 628957671 /nfs/dbraw/zinc/95/76/71/628957671.db2.gz UUCKZXWYDBGDEP-FLIBITNWSA-N 1 1 289.375 2.760 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1csc(Cl)c1 ZINC000786456048 628957972 /nfs/dbraw/zinc/95/79/72/628957972.db2.gz JWAFYPZDLFFUMI-NSHDSACASA-N 1 1 283.780 2.656 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1csc(Cl)c1 ZINC000786456048 628957973 /nfs/dbraw/zinc/95/79/73/628957973.db2.gz JWAFYPZDLFFUMI-NSHDSACASA-N 1 1 283.780 2.656 20 30 CFEDMO O=C(OCC#Cc1ccccc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000786884899 628983408 /nfs/dbraw/zinc/98/34/08/628983408.db2.gz XYDKLFVQCFRHJC-GOSISDBHSA-N 1 1 297.398 2.988 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805827896 628993321 /nfs/dbraw/zinc/99/33/21/628993321.db2.gz ZSUNRPDBMQSKGX-OAHLLOKOSA-N 1 1 278.396 2.533 20 30 CFEDMO C#CC[NH+](CC#C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000787405319 629011350 /nfs/dbraw/zinc/01/13/50/629011350.db2.gz CWCOXLQVMSVIMW-KAMYIIQDSA-N 1 1 268.316 2.567 20 30 CFEDMO C#Cc1ccc(C[N@@H+](C)CCc2ccccn2)cc1 ZINC000787779441 629035106 /nfs/dbraw/zinc/03/51/06/629035106.db2.gz YMBJNSSSAFVACV-UHFFFAOYSA-N 1 1 250.345 2.737 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000787998300 629047188 /nfs/dbraw/zinc/04/71/88/629047188.db2.gz ZFQUTVWWMCTLLE-UHFFFAOYSA-N 1 1 272.392 2.772 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)N(c1ccccc1)C(C)C ZINC000787998300 629047189 /nfs/dbraw/zinc/04/71/89/629047189.db2.gz ZFQUTVWWMCTLLE-UHFFFAOYSA-N 1 1 272.392 2.772 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CCCOc1ccc(C#N)cc1 ZINC000787997369 629047398 /nfs/dbraw/zinc/04/73/98/629047398.db2.gz LMKFFACNNQBLLH-UHFFFAOYSA-N 1 1 256.349 2.671 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000787998774 629047495 /nfs/dbraw/zinc/04/74/95/629047495.db2.gz IVTIVGVDXFODCG-UHFFFAOYSA-N 1 1 278.783 2.931 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000787998774 629047499 /nfs/dbraw/zinc/04/74/99/629047499.db2.gz IVTIVGVDXFODCG-UHFFFAOYSA-N 1 1 278.783 2.931 20 30 CFEDMO C#CCC1(C(=O)N2CCC[N@H+](C(C)C)CC2)CCCCC1 ZINC000788200228 629050197 /nfs/dbraw/zinc/05/01/97/629050197.db2.gz GBURMRWGIRJLNT-UHFFFAOYSA-N 1 1 290.451 2.903 20 30 CFEDMO C#CCC1(C(=O)NCC[N@H+](C)[C@H](C)CC)CCCCC1 ZINC000788198548 629050394 /nfs/dbraw/zinc/05/03/94/629050394.db2.gz AHQUBZMHUYKGTD-OAHLLOKOSA-N 1 1 278.440 2.807 20 30 CFEDMO 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CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809767749 631284830 /nfs/dbraw/zinc/28/48/30/631284830.db2.gz SIYWDGVFWBRELV-HOCLYGCPSA-N 1 1 290.407 2.816 20 30 CFEDMO CC(C)C[C@H](CO)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809767748 631285738 /nfs/dbraw/zinc/28/57/38/631285738.db2.gz SIYWDGVFWBRELV-GOEBONIOSA-N 1 1 290.407 2.816 20 30 CFEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(N(C)C)cc1 ZINC000810153247 631335969 /nfs/dbraw/zinc/33/59/69/631335969.db2.gz SGBVMOAFBHISHA-LLVKDONJSA-N 1 1 286.404 2.932 20 30 CFEDMO Cc1cc(N(C)C)ccc1C=[NH+]N[C@@H](C)C(F)(F)F ZINC000841641832 631441098 /nfs/dbraw/zinc/44/10/98/631441098.db2.gz XDWFSHKZUSIHBX-JTQLQIEISA-N 1 1 273.302 2.935 20 30 CFEDMO Clc1ccc([C@H]2CCCC(N=NC3=[NH+]CCN3)C2)cc1 ZINC000841660803 631445963 /nfs/dbraw/zinc/44/59/63/631445963.db2.gz UTDBYVACTRZILD-LBPRGKRZSA-N 1 1 290.798 2.902 20 30 CFEDMO CC(C)CC(Cc1cccc(Cl)c1)N=NC1=[NH+]CCN1 ZINC000841658837 631446437 /nfs/dbraw/zinc/44/64/37/631446437.db2.gz 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CC[C@H](O)CNN=C1CCCC[C@H]1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000811653931 631595159 /nfs/dbraw/zinc/59/51/59/631595159.db2.gz PYFLBKUYKBKWLM-QSJFSLAZSA-N 1 1 295.471 2.623 20 30 CFEDMO C[C@@H](COc1ccccc1)NN=C1CCC[N@@H+](C)CC1 ZINC000811665439 631601199 /nfs/dbraw/zinc/60/11/99/631601199.db2.gz PJYWZNQOZWDVTM-AWEZNQCLSA-N 1 1 275.396 2.515 20 30 CFEDMO CC[N@H+]1CCC(=NN[C@H](C)COc2ccccc2)[C@H](C)C1 ZINC000811666545 631602417 /nfs/dbraw/zinc/60/24/17/631602417.db2.gz GRPPWSQKYPKSNV-HUUCEWRRSA-N 1 1 289.423 2.761 20 30 CFEDMO C=C(C)C[N@H+](C)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811761841 631619150 /nfs/dbraw/zinc/61/91/50/631619150.db2.gz NZFSBDWHRHNEDZ-INIZCTEOSA-N 1 1 272.392 2.543 20 30 CFEDMO C=C(C)C[N@@H+](C)CN1CC[C@@H](Cc2ccccc2)C1=O ZINC000811761841 631619154 /nfs/dbraw/zinc/61/91/54/631619154.db2.gz NZFSBDWHRHNEDZ-INIZCTEOSA-N 1 1 272.392 2.543 20 30 CFEDMO CC(=O)c1ccc(C#N)cc1N[C@H](C)C[N@H+](C)C(C)C ZINC000811859070 631632948 /nfs/dbraw/zinc/63/29/48/631632948.db2.gz 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/nfs/dbraw/zinc/13/54/20/632135420.db2.gz CQTDWQKYYKBOST-LBPRGKRZSA-N 1 1 271.320 2.564 20 30 CFEDMO CCC(=[NH+]NC1CCOCC1)c1ccc(Cl)c(N)c1 ZINC000814869025 632143550 /nfs/dbraw/zinc/14/35/50/632143550.db2.gz AQCRIOYIJABZIQ-UHFFFAOYSA-N 1 1 281.787 2.805 20 30 CFEDMO NC(=[NH+]OCC=C(Cl)Cl)c1ccc2c(c1)CCO2 ZINC000844239876 632144346 /nfs/dbraw/zinc/14/43/46/632144346.db2.gz XPZRGLAPGUPVBG-UHFFFAOYSA-N 1 1 287.146 2.577 20 30 CFEDMO C[C@H](CC#N)NN=C1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000814881577 632146615 /nfs/dbraw/zinc/14/66/15/632146615.db2.gz RWISUDZBOYYHNG-HUUCEWRRSA-N 1 1 284.407 2.919 20 30 CFEDMO C[C@H](CC#N)NN=C1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000814881577 632146618 /nfs/dbraw/zinc/14/66/18/632146618.db2.gz RWISUDZBOYYHNG-HUUCEWRRSA-N 1 1 284.407 2.919 20 30 CFEDMO c1cc2c3c(c1)C(=[NH+][N-]c1cc[nH+]cc1)CC[C@@H]3CN2 ZINC000814900137 632155142 /nfs/dbraw/zinc/15/51/42/632155142.db2.gz FVXNSIMBOHQKKX-LLVKDONJSA-N 1 1 264.332 2.623 20 30 CFEDMO Clc1cccc2c1OCCC2=NNc1cc[nH+]cc1 ZINC000814900570 632155920 /nfs/dbraw/zinc/15/59/20/632155920.db2.gz YXUHDZDNOBEFEJ-UHFFFAOYSA-N 1 1 273.723 2.756 20 30 CFEDMO C#CC[N@H+](C)CCCNc1ncnc2sc(CC)cc21 ZINC000814929664 632169674 /nfs/dbraw/zinc/16/96/74/632169674.db2.gz UEEDKAAFUAVPCC-UHFFFAOYSA-N 1 1 288.420 2.621 20 30 CFEDMO CC(=[NH+]NCC1CCCC1)c1cc([N+](=O)[O-])ccc1N ZINC000814933261 632171187 /nfs/dbraw/zinc/17/11/87/632171187.db2.gz JGQHEKYAMRNSPW-UHFFFAOYSA-N 1 1 276.340 2.681 20 30 CFEDMO CC/C=C\CC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844367868 632181744 /nfs/dbraw/zinc/18/17/44/632181744.db2.gz CFQNKJIUKVZDTN-AWFCHZOYSA-N 1 1 258.365 2.880 20 30 CFEDMO C[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C[C@H]1CC1(Cl)Cl ZINC000844366476 632182313 /nfs/dbraw/zinc/18/23/13/632182313.db2.gz PKOHRHWMJAKPPG-CHWSQXEVSA-N 1 1 299.201 2.717 20 30 CFEDMO C#CCNC(=O)CC[N@H+](C)Cc1c(CC)oc2ccccc21 ZINC000815008896 632187737 /nfs/dbraw/zinc/18/77/37/632187737.db2.gz ROTJCIZSKSKYFF-UHFFFAOYSA-N 1 1 298.386 2.567 20 30 CFEDMO 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286.375 2.594 20 30 CFEDMO Cc1ccc(C[N@H+]2CCCC[C@@H]2C2OCCO2)cc1C#N ZINC000859118147 636463145 /nfs/dbraw/zinc/46/31/45/636463145.db2.gz FXZRDYKYGFENTG-MRXNPFEDSA-N 1 1 286.375 2.594 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](OCC)C1CC1 ZINC000859300942 636535565 /nfs/dbraw/zinc/53/55/65/636535565.db2.gz GGLCMRDWEXCTPJ-KRWDZBQOSA-N 1 1 257.377 2.937 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000859335798 636545644 /nfs/dbraw/zinc/54/56/44/636545644.db2.gz GRGFXGGJQKWJDQ-LLVKDONJSA-N 1 1 294.757 2.763 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(F)c2)C1 ZINC000859335798 636545653 /nfs/dbraw/zinc/54/56/53/636545653.db2.gz GRGFXGGJQKWJDQ-LLVKDONJSA-N 1 1 294.757 2.763 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC000859444228 636565108 /nfs/dbraw/zinc/56/51/08/636565108.db2.gz HIYOKUDSSKIVSZ-GDBMZVCRSA-N 1 1 286.375 2.910 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000859446332 636565875 /nfs/dbraw/zinc/56/58/75/636565875.db2.gz XPQKTJZMOBNMGX-DOMZBBRYSA-N 1 1 276.336 2.526 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2cc(=O)oc3cc(O)ccc23)C1 ZINC000859445743 636565980 /nfs/dbraw/zinc/56/59/80/636565980.db2.gz UDHPSYVVGLGOAP-LBPRGKRZSA-N 1 1 285.343 2.897 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)nc2)C1 ZINC000859445509 636566712 /nfs/dbraw/zinc/56/67/12/636566712.db2.gz JWFMPKORGFZJCG-CQSZACIVSA-N 1 1 268.364 2.665 20 30 CFEDMO CCC#C[C@@H](C)[N@@H+](CC)CCNC(=O)OC(C)(C)C ZINC000859532024 636591093 /nfs/dbraw/zinc/59/10/93/636591093.db2.gz RRPTUVBSYWARHH-CYBMUJFWSA-N 1 1 268.401 2.635 20 30 CFEDMO CCC#C[C@H](C)[N@@H+](CC)CCNC(=O)OC(C)(C)C ZINC000859532025 636591750 /nfs/dbraw/zinc/59/17/50/636591750.db2.gz RRPTUVBSYWARHH-ZDUSSCGKSA-N 1 1 268.401 2.635 20 30 CFEDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)[C@H]1CC[C@H](C#N)C1 ZINC000859533840 636592211 /nfs/dbraw/zinc/59/22/11/636592211.db2.gz UHUAXGODWTXLTJ-STQMWFEESA-N 1 1 281.400 2.525 20 30 CFEDMO C#CCCC[NH2+][C@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000859550817 636597497 /nfs/dbraw/zinc/59/74/97/636597497.db2.gz LOBGVHNRACGKJH-OAHLLOKOSA-N 1 1 251.370 2.501 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000859885351 636736099 /nfs/dbraw/zinc/73/60/99/636736099.db2.gz VFNVDBQNIDEQOM-KEYYUXOJSA-N 1 1 257.443 2.942 20 30 CFEDMO C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000860095101 636785499 /nfs/dbraw/zinc/78/54/99/636785499.db2.gz CMVROLQQYNHOEO-GFCCVEGCSA-N 1 1 256.390 2.798 20 30 CFEDMO CCC(C#N)(CC)C(=O)OCCCCn1cc[nH+]c1C ZINC000860198507 636824340 /nfs/dbraw/zinc/82/43/40/636824340.db2.gz WSRSXQQQOYGWRY-UHFFFAOYSA-N 1 1 277.368 2.845 20 30 CFEDMO C#Cc1cccc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000860376483 636870162 /nfs/dbraw/zinc/87/01/62/636870162.db2.gz MPQUQBAUALYZRH-QGZVFWFLSA-N 1 1 297.402 2.806 20 30 CFEDMO CCCCCCCC(=O)N1CC[NH+](CCCF)CC1 ZINC000862111971 637275883 /nfs/dbraw/zinc/27/58/83/637275883.db2.gz WAJFPNGCVHGXCG-UHFFFAOYSA-N 1 1 272.408 2.851 20 30 CFEDMO C#CC[N@H+](Cc1cccc(C(=O)OCC)n1)C1CCCC1 ZINC000862250823 637301394 /nfs/dbraw/zinc/30/13/94/637301394.db2.gz QEQQOBYNLOZFOI-UHFFFAOYSA-N 1 1 286.375 2.636 20 30 CFEDMO C#C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000862374353 637343588 /nfs/dbraw/zinc/34/35/88/637343588.db2.gz KKCFKIGSVPKRTD-JKSUJKDBSA-N 1 1 274.383 2.962 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862403371 637360660 /nfs/dbraw/zinc/36/06/60/637360660.db2.gz YZZDDPMDGLBCOQ-GFCCVEGCSA-N 1 1 278.346 2.876 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862403371 637360666 /nfs/dbraw/zinc/36/06/66/637360666.db2.gz YZZDDPMDGLBCOQ-GFCCVEGCSA-N 1 1 278.346 2.876 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000862442723 637381894 /nfs/dbraw/zinc/38/18/94/637381894.db2.gz GIQMXJFBRFVXES-CYBMUJFWSA-N 1 1 258.321 2.748 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC000862442772 637382066 /nfs/dbraw/zinc/38/20/66/637382066.db2.gz HNMCQNIYGKTHIB-ZDUSSCGKSA-N 1 1 289.375 2.558 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cnc(N(CC)CC)s2)C1 ZINC000862443452 637383329 /nfs/dbraw/zinc/38/33/29/637383329.db2.gz OXPXRUVFDLIZCA-CYBMUJFWSA-N 1 1 277.437 2.835 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc(OC)ccc2OC)C1 ZINC000862444109 637383690 /nfs/dbraw/zinc/38/36/90/637383690.db2.gz XVMONJNERUGFJJ-CYBMUJFWSA-N 1 1 259.349 2.549 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000862444893 637384627 /nfs/dbraw/zinc/38/46/27/637384627.db2.gz IDPGQCFVLVLYRO-NSHDSACASA-N 1 1 279.767 2.899 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2c(C)cc(OC)nc2C)C1 ZINC000862445140 637385508 /nfs/dbraw/zinc/38/55/08/637385508.db2.gz MQIBSZLBUYGAGA-AWEZNQCLSA-N 1 1 258.365 2.552 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862447322 637387231 /nfs/dbraw/zinc/38/72/31/637387231.db2.gz LNUBGWBXKYRIMU-NSHDSACASA-N 1 1 294.192 3.000 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000862447289 637387344 /nfs/dbraw/zinc/38/73/44/637387344.db2.gz LCYRIDIBMMFOJE-LBPRGKRZSA-N 1 1 291.778 2.972 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000862445614 637388021 /nfs/dbraw/zinc/38/80/21/637388021.db2.gz YDXXOMDQKLXTPM-CYBMUJFWSA-N 1 1 260.356 2.737 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000862445693 637388216 /nfs/dbraw/zinc/38/82/16/637388216.db2.gz ZQLKYAXXJOVXME-ZDUSSCGKSA-N 1 1 258.321 2.748 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(COCCOC)cc2)C1 ZINC000862448060 637389004 /nfs/dbraw/zinc/38/90/04/637389004.db2.gz WFVYVRIOIWSVCK-INIZCTEOSA-N 1 1 287.403 2.695 20 30 CFEDMO N#CCc1cccc2c1CC[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC000862542164 637415614 /nfs/dbraw/zinc/41/56/14/637415614.db2.gz HKTRRMYLURNTQN-INIZCTEOSA-N 1 1 268.360 2.803 20 30 CFEDMO C#CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000862563082 637430510 /nfs/dbraw/zinc/43/05/10/637430510.db2.gz IMOCIIHXGLFDSI-WMZOPIPTSA-N 1 1 296.414 2.523 20 30 CFEDMO C#CCC1(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CCCCC1 ZINC000862793035 637495363 /nfs/dbraw/zinc/49/53/63/637495363.db2.gz IFTCUYVYSMHIFU-INIZCTEOSA-N 1 1 290.451 2.808 20 30 CFEDMO C#CCCCCCC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000863029142 637539961 /nfs/dbraw/zinc/53/99/61/637539961.db2.gz ABFGHNOXCWIUHM-MRXNPFEDSA-N 1 1 276.424 2.703 20 30 CFEDMO FC(F)(F)c1csc(N=NC2C[N@@H+]3C[C@@H]2CCC3)n1 ZINC000863100915 637554725 /nfs/dbraw/zinc/55/47/25/637554725.db2.gz AGYXLAWBEAPUFO-ZETCQYMHSA-N 1 1 290.314 2.655 20 30 CFEDMO FC(F)(F)c1csc(N=NC2C[N@H+]3C[C@@H]2CCC3)n1 ZINC000863100915 637554729 /nfs/dbraw/zinc/55/47/29/637554729.db2.gz AGYXLAWBEAPUFO-ZETCQYMHSA-N 1 1 290.314 2.655 20 30 CFEDMO N#CCC1CC[NH+](CN2C[C@@H](c3ccccc3)OC2=O)CC1 ZINC000863263318 637609629 /nfs/dbraw/zinc/60/96/29/637609629.db2.gz NHOXEKIAIKNOMV-INIZCTEOSA-N 1 1 299.374 2.763 20 30 CFEDMO C=CCN1CCN(C[N@@H+]2CCC[C@H](C/C=C\C)C2)C1=O ZINC000863340344 637630668 /nfs/dbraw/zinc/63/06/68/637630668.db2.gz KDPPMYFZYDIJTF-QTLSWZBMSA-N 1 1 277.412 2.546 20 30 CFEDMO C#CC[NH+](CC#C)Cc1ccc(Cl)c2cccnc12 ZINC000076185882 650371367 /nfs/dbraw/zinc/37/13/67/650371367.db2.gz PBRHUOBKPXNRHG-UHFFFAOYSA-N 1 1 268.747 2.957 20 30 CFEDMO C=C(Br)C[NH2+]Cc1ccnn1CC1CCC1 ZINC000865449810 638343073 /nfs/dbraw/zinc/34/30/73/638343073.db2.gz FTZVAYYTHWOQPK-UHFFFAOYSA-N 1 1 284.201 2.681 20 30 CFEDMO Cn1nc2c(c1C[NH2+]Cc1cc(C#N)ccc1F)CCCC2 ZINC000865477944 638365152 /nfs/dbraw/zinc/36/51/52/638365152.db2.gz NUATXHGWQJLWPT-UHFFFAOYSA-N 1 1 298.365 2.599 20 30 CFEDMO CCCn1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)nn1 ZINC000865624022 638469959 /nfs/dbraw/zinc/46/99/59/638469959.db2.gz RASGTQFUWHOFCF-UHFFFAOYSA-N 1 1 283.379 2.585 20 30 CFEDMO C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(C(F)(F)F)cc(C#N)n1 ZINC000865652527 638488974 /nfs/dbraw/zinc/48/89/74/638488974.db2.gz AUASJDZAGJKOLE-UWVGGRQHSA-N 1 1 298.312 2.501 20 30 CFEDMO CC[N@H+]1CCN(c2cc(C(F)(F)F)cc(C#N)n2)[C@H](C)C1 ZINC000865797946 638577946 /nfs/dbraw/zinc/57/79/46/638577946.db2.gz PRMCVCBTGOOZJF-SNVBAGLBSA-N 1 1 298.312 2.502 20 30 CFEDMO C#C[C@@H]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000865917006 638656178 /nfs/dbraw/zinc/65/61/78/638656178.db2.gz XCGOXHPXAKXOGH-GFCCVEGCSA-N 1 1 281.315 2.993 20 30 CFEDMO Cc1cc(C#N)nc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)n1 ZINC000866192478 638766822 /nfs/dbraw/zinc/76/68/22/638766822.db2.gz KXGQLDYKTWOSBG-INIZCTEOSA-N 1 1 299.422 2.866 20 30 CFEDMO Cc1nnc(NC[C@@H]2c3ccccc3C[N@H+]2C)c(C#N)c1C ZINC000866194101 638767070 /nfs/dbraw/zinc/76/70/70/638767070.db2.gz HAOKRVNSQVEJMY-MRXNPFEDSA-N 1 1 293.374 2.564 20 30 CFEDMO Cc1nnc(NC[C@@H]2c3ccccc3C[N@@H+]2C)c(C#N)c1C ZINC000866194101 638767071 /nfs/dbraw/zinc/76/70/71/638767071.db2.gz HAOKRVNSQVEJMY-MRXNPFEDSA-N 1 1 293.374 2.564 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3nc4ccccc4cc3C#N)CC[C@H]21 ZINC000866204640 638769967 /nfs/dbraw/zinc/76/99/67/638769967.db2.gz FKXVSLKYJSZCAW-WMLDXEAASA-N 1 1 292.386 2.637 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3ccc4cc(C#N)ccc4n3)CC[C@H]21 ZINC000866205101 638770109 /nfs/dbraw/zinc/77/01/09/638770109.db2.gz KAHOKLKFDMTHOL-NVXWUHKLSA-N 1 1 292.386 2.637 20 30 CFEDMO C[C@H]([NH2+]Cc1cccnc1N(C)C)c1cccc(C#N)c1O ZINC000866232407 638775806 /nfs/dbraw/zinc/77/58/06/638775806.db2.gz KVEOTTSXWQHCRN-LBPRGKRZSA-N 1 1 296.374 2.576 20 30 CFEDMO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc(C#N)c2O)o1 ZINC000866271493 638785744 /nfs/dbraw/zinc/78/57/44/638785744.db2.gz MFGCEAUAMTWPTO-RISCZKNCSA-N 1 1 286.331 2.550 20 30 CFEDMO N#C[C@H]1CC[C@@H]([NH2+][C@H]2c3ccccc3OC[C@H]2F)C1 ZINC000866379231 638809470 /nfs/dbraw/zinc/80/94/70/638809470.db2.gz KJMCYEUZSLILNZ-MDHDOXDCSA-N 1 1 260.312 2.740 20 30 CFEDMO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cccc(C#N)c1O ZINC000866500855 638830919 /nfs/dbraw/zinc/83/09/19/638830919.db2.gz GASXNTACWBOTOD-WHGOUJPWSA-N 1 1 270.254 2.865 20 30 CFEDMO C=CC(C)(C)CNC(=O)NC[C@@H]1c2ccccc2C[N@H+]1C ZINC000868670578 638967985 /nfs/dbraw/zinc/96/79/85/638967985.db2.gz OMKWAHFNWWAQHU-OAHLLOKOSA-N 1 1 287.407 2.685 20 30 CFEDMO C=CC(C)(C)CNC(=O)NC[C@@H]1c2ccccc2C[N@@H+]1C ZINC000868670578 638967987 /nfs/dbraw/zinc/96/79/87/638967987.db2.gz OMKWAHFNWWAQHU-OAHLLOKOSA-N 1 1 287.407 2.685 20 30 CFEDMO CC(C)C[N@@H+](C)CCCNC(=O)c1sccc1CC#N ZINC000869124736 639035646 /nfs/dbraw/zinc/03/56/46/639035646.db2.gz MOTUNPNHHRVTFJ-UHFFFAOYSA-N 1 1 293.436 2.522 20 30 CFEDMO C=C(Br)C[NH2+]Cc1ccc(N(C)CC)nc1 ZINC000190956167 650471323 /nfs/dbraw/zinc/47/13/23/650471323.db2.gz VUVLKXDDRFSYKM-UHFFFAOYSA-N 1 1 284.201 2.536 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000870124175 639523172 /nfs/dbraw/zinc/52/31/72/639523172.db2.gz UFRJYKFLFIHHGN-QAPCUYQASA-N 1 1 299.418 2.832 20 30 CFEDMO C=CCCCC(=O)N1CC[NH2+][C@H](c2ccc(OC)cc2)C1 ZINC000870143206 639528739 /nfs/dbraw/zinc/52/87/39/639528739.db2.gz SDHQRNGAODPWLL-INIZCTEOSA-N 1 1 288.391 2.524 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N1CCC[C@H](C[N@H+](C)CC)C1 ZINC001017200711 651247216 /nfs/dbraw/zinc/24/72/16/651247216.db2.gz DIOCCUGXGARZHO-GDBMZVCRSA-N 1 1 266.429 2.779 20 30 CFEDMO C[C@H](C[C@@H]1CCCC[N@H+]1C)OC(=O)c1coc(C#N)c1 ZINC000870783115 641063499 /nfs/dbraw/zinc/06/34/99/641063499.db2.gz HWZKGGMHQRDZLX-YPMHNXCESA-N 1 1 276.336 2.571 20 30 CFEDMO Cc1[nH]c(C#N)cc1C(=O)O[C@H](C)C[C@H]1CCCC[N@H+]1C ZINC000870783718 641063961 /nfs/dbraw/zinc/06/39/61/641063961.db2.gz BHQNFLPLLOIXJY-BXUZGUMPSA-N 1 1 289.379 2.615 20 30 CFEDMO C[C@H](C[C@H]1CCCC[N@H+]1C)OC(=O)CC(C)(C)C#N ZINC000870783936 641064068 /nfs/dbraw/zinc/06/40/68/641064068.db2.gz CYCGPVQTBOUVSW-CHWSQXEVSA-N 1 1 266.385 2.732 20 30 CFEDMO Cc1[nH]c(C#N)cc1C(=O)O[C@@H](C)C[C@H]1CCCC[N@H+]1C ZINC000870783721 641064706 /nfs/dbraw/zinc/06/47/06/641064706.db2.gz BHQNFLPLLOIXJY-SMDDNHRTSA-N 1 1 289.379 2.615 20 30 CFEDMO CCCC(N)=[NH+]OCc1nc(-c2cccc(C)c2)no1 ZINC000123506941 641215079 /nfs/dbraw/zinc/21/50/79/641215079.db2.gz XGBMZRYOMJNSPS-UHFFFAOYSA-N 1 1 274.324 2.634 20 30 CFEDMO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)CC1 ZINC000872139326 641667122 /nfs/dbraw/zinc/66/71/22/641667122.db2.gz JHPMZYZGCGXNML-HHARLNAUSA-N 1 1 260.425 2.641 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(CCC(F)(F)F)no1 ZINC000872172589 641691872 /nfs/dbraw/zinc/69/18/72/641691872.db2.gz CUQIJASWDHCWOF-LURJTMIESA-N 1 1 269.654 2.707 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCN(C)c2ncccc2C1 ZINC000872318638 641755236 /nfs/dbraw/zinc/75/52/36/641755236.db2.gz LIFBMWRZYDSTRR-CQSZACIVSA-N 1 1 292.386 2.966 20 30 CFEDMO C[C@@H]1C(N=Nc2ccc3ccccc3n2)CC[N@H+]1C ZINC000872328650 641757589 /nfs/dbraw/zinc/75/75/89/641757589.db2.gz WZKNGJHDEKUDKK-LLVKDONJSA-N 1 1 254.337 2.727 20 30 CFEDMO C[C@@H]1C(N=Nc2ncccc2C(F)(F)F)CC[N@H+]1C ZINC000872342619 641760250 /nfs/dbraw/zinc/76/02/50/641760250.db2.gz YSTUKLAITDVDRN-MRVPVSSYSA-N 1 1 272.274 2.592 20 30 CFEDMO CCC(=[NH+]n1cc(Br)cn1)[C@H]1CCCOC1 ZINC000872359472 641767559 /nfs/dbraw/zinc/76/75/59/641767559.db2.gz FXDZVZVENJQQEP-VIFPVBQESA-N 1 1 286.173 2.686 20 30 CFEDMO CC(C)(C)CCNN=C1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872365587 641771584 /nfs/dbraw/zinc/77/15/84/641771584.db2.gz YJOQWRSELHWMBN-ZDUSSCGKSA-N 1 1 269.458 2.579 20 30 CFEDMO CC(C)(C)CCNN=C1CCC[N@H+]2CCSC[C@@H]12 ZINC000872365587 641771591 /nfs/dbraw/zinc/77/15/91/641771591.db2.gz YJOQWRSELHWMBN-ZDUSSCGKSA-N 1 1 269.458 2.579 20 30 CFEDMO CC1(C)CCCCCC1=NNCCC[NH+]1CCOCC1 ZINC000872371160 641776612 /nfs/dbraw/zinc/77/66/12/641776612.db2.gz HUBRJRDODZARMK-UHFFFAOYSA-N 1 1 281.444 2.645 20 30 CFEDMO C[C@H](NN=C1CCC[N@@H+]2CCSC[C@@H]12)C(C)(C)C ZINC000872377321 641780916 /nfs/dbraw/zinc/78/09/16/641780916.db2.gz YUUUORDOCXASPW-AAEUAGOBSA-N 1 1 269.458 2.578 20 30 CFEDMO C[C@H](NN=C1CCC[N@H+]2CCSC[C@@H]12)C(C)(C)C ZINC000872377321 641780919 /nfs/dbraw/zinc/78/09/19/641780919.db2.gz YUUUORDOCXASPW-AAEUAGOBSA-N 1 1 269.458 2.578 20 30 CFEDMO C[C@@H](NN=C1CCC[N@@H+]2CCSC[C@@H]12)C(C)(C)C ZINC000872377328 641781883 /nfs/dbraw/zinc/78/18/83/641781883.db2.gz YUUUORDOCXASPW-YPMHNXCESA-N 1 1 269.458 2.578 20 30 CFEDMO C[C@@H](NN=C1CCC[N@H+]2CCSC[C@@H]12)C(C)(C)C 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COCC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932154680 649552335 /nfs/dbraw/zinc/55/23/35/649552335.db2.gz XVRIIVWPUMIMPT-GOEBONIOSA-N 1 1 258.365 3.000 20 30 CFEDMO COCC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C#N)C1 ZINC000932154680 649552338 /nfs/dbraw/zinc/55/23/38/649552338.db2.gz XVRIIVWPUMIMPT-GOEBONIOSA-N 1 1 258.365 3.000 20 30 CFEDMO N#C[C@@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000932158720 649553999 /nfs/dbraw/zinc/55/39/99/649553999.db2.gz ASGBDVWWVZCOOY-ZDUSSCGKSA-N 1 1 262.328 2.830 20 30 CFEDMO N#C[C@@H]1CCC[N@H+](CCCOc2ccc(F)cc2)C1 ZINC000932158720 649554002 /nfs/dbraw/zinc/55/40/02/649554002.db2.gz ASGBDVWWVZCOOY-ZDUSSCGKSA-N 1 1 262.328 2.830 20 30 CFEDMO N#C[C@H]1CCC[N@H+](CCCOCCc2ccccc2)C1 ZINC000932158675 649554113 /nfs/dbraw/zinc/55/41/13/649554113.db2.gz NLUWWINIMQJNMK-QGZVFWFLSA-N 1 1 272.392 2.871 20 30 CFEDMO N#C[C@H]1CCC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000932158675 649554115 /nfs/dbraw/zinc/55/41/15/649554115.db2.gz NLUWWINIMQJNMK-QGZVFWFLSA-N 1 1 272.392 2.871 20 30 CFEDMO Cn1nccc1[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000932261882 649569917 /nfs/dbraw/zinc/56/99/17/649569917.db2.gz RPVMDEJIMIIIHB-INIZCTEOSA-N 1 1 266.348 2.629 20 30 CFEDMO Cn1nccc1[C@@H]1CCC[N@H+]1Cc1cccc(C#N)c1 ZINC000932261882 649569920 /nfs/dbraw/zinc/56/99/20/649569920.db2.gz RPVMDEJIMIIIHB-INIZCTEOSA-N 1 1 266.348 2.629 20 30 CFEDMO Cn1nccc1[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000932266755 649571598 /nfs/dbraw/zinc/57/15/98/649571598.db2.gz DPBZZULWHPLXQG-KRWDZBQOSA-N 1 1 283.350 2.748 20 30 CFEDMO Cn1nccc1[C@@H]1CCC[N@H+]1CC#Cc1ccc(F)cc1 ZINC000932266755 649571602 /nfs/dbraw/zinc/57/16/02/649571602.db2.gz DPBZZULWHPLXQG-KRWDZBQOSA-N 1 1 283.350 2.748 20 30 CFEDMO C#CC[N@@H+](Cc1cccnc1C(F)(F)F)C(C)C ZINC000932383669 649589794 /nfs/dbraw/zinc/58/97/94/649589794.db2.gz KHXROBXWHRUJSI-UHFFFAOYSA-N 1 1 256.271 2.944 20 30 CFEDMO C#CC[N@H+](CC[C@](C#N)(C(C)=O)c1ccccc1)C(C)C ZINC000932384734 649590020 /nfs/dbraw/zinc/59/00/20/649590020.db2.gz WVMGYCPMLHSPQA-SFHVURJKSA-N 1 1 282.387 2.771 20 30 CFEDMO C#CC[N@H+](CC(=O)Nc1c(C)cccc1Cl)C(C)C ZINC000932388363 649591285 /nfs/dbraw/zinc/59/12/85/649591285.db2.gz HSZPPJOLHCAMGP-UHFFFAOYSA-N 1 1 278.783 2.931 20 30 CFEDMO C#CC[N@@H+](CC(=O)Nc1c(C)cccc1Cl)C(C)C ZINC000932388363 649591287 /nfs/dbraw/zinc/59/12/87/649591287.db2.gz HSZPPJOLHCAMGP-UHFFFAOYSA-N 1 1 278.783 2.931 20 30 CFEDMO C#CC[N@@H+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C(C)C ZINC000932388048 649591374 /nfs/dbraw/zinc/59/13/74/649591374.db2.gz SBKXRPUDRKAIGA-OAHLLOKOSA-N 1 1 278.440 2.615 20 30 CFEDMO C#CC[N@H+](Cc1cc(F)cc(C(C)=O)c1O)C(C)C ZINC000932391149 649592425 /nfs/dbraw/zinc/59/24/25/649592425.db2.gz VPLLFFSGWYNLOB-UHFFFAOYSA-N 1 1 263.312 2.578 20 30 CFEDMO C#CC[N@@H+](Cc1cc(F)cc(C(C)=O)c1O)C(C)C ZINC000932391149 649592426 /nfs/dbraw/zinc/59/24/26/649592426.db2.gz VPLLFFSGWYNLOB-UHFFFAOYSA-N 1 1 263.312 2.578 20 30 CFEDMO C#CC[N@@H+](Cc1ccc(-n2cccn2)cc1)C(C)C ZINC000932392968 649592555 /nfs/dbraw/zinc/59/25/55/649592555.db2.gz SISDBTGVFSEOII-UHFFFAOYSA-N 1 1 253.349 2.716 20 30 CFEDMO C#CC[N@@H+](C[C@@H]1CCC2(CCOCC2)CO1)C(C)(C)C ZINC000932459812 649604650 /nfs/dbraw/zinc/60/46/50/649604650.db2.gz AZXQYTCQRDLYSD-HNNXBMFYSA-N 1 1 279.424 2.696 20 30 CFEDMO C#CC[N@@H+](CC(=O)Nc1c(F)cccc1F)C(C)(C)C ZINC000932461830 649605245 /nfs/dbraw/zinc/60/52/45/649605245.db2.gz JMHAFIQPSGTTBA-UHFFFAOYSA-N 1 1 280.318 2.637 20 30 CFEDMO C#CC[N@H+](CC(=O)Nc1c(F)cccc1F)C(C)(C)C ZINC000932461830 649605242 /nfs/dbraw/zinc/60/52/42/649605242.db2.gz JMHAFIQPSGTTBA-UHFFFAOYSA-N 1 1 280.318 2.637 20 30 CFEDMO C#CC[N@H+](CCC(=O)N1CCc2ccccc2C1)C(C)(C)C ZINC000932462605 649605306 /nfs/dbraw/zinc/60/53/06/649605306.db2.gz ALOGIEZWZKWRDS-UHFFFAOYSA-N 1 1 298.430 2.695 20 30 CFEDMO C#CC[N@H+](Cc1cc(C)c(C(=O)OC)o1)C(C)(C)C ZINC000932465886 649606196 /nfs/dbraw/zinc/60/61/96/649606196.db2.gz PAWBOMRNHVSFLZ-UHFFFAOYSA-N 1 1 263.337 2.608 20 30 CFEDMO C#CC[N@@H+](CC(=O)Nc1ccccc1OCC)C(C)(C)C ZINC000932466034 649606434 /nfs/dbraw/zinc/60/64/34/649606434.db2.gz RCNCUCGSTVHFRL-UHFFFAOYSA-N 1 1 288.391 2.758 20 30 CFEDMO C#CC[N@H+](CC(=O)Nc1ccccc1OCC)C(C)(C)C ZINC000932466034 649606435 /nfs/dbraw/zinc/60/64/35/649606435.db2.gz RCNCUCGSTVHFRL-UHFFFAOYSA-N 1 1 288.391 2.758 20 30 CFEDMO C=C[C@H](CC)CC(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000932514448 649613148 /nfs/dbraw/zinc/61/31/48/649613148.db2.gz PTEGXCGVFRAFQM-ZIAGYGMSSA-N 1 1 252.402 2.579 20 30 CFEDMO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000932514447 649613502 /nfs/dbraw/zinc/61/35/02/649613502.db2.gz PTEGXCGVFRAFQM-UONOGXRCSA-N 1 1 252.402 2.579 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCn2cccc2C1 ZINC000932529772 649615602 /nfs/dbraw/zinc/61/56/02/649615602.db2.gz ZBELCFRJSXGKFE-CYBMUJFWSA-N 1 1 251.333 2.937 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCn2cccc2C1 ZINC000932529772 649615604 /nfs/dbraw/zinc/61/56/04/649615604.db2.gz ZBELCFRJSXGKFE-CYBMUJFWSA-N 1 1 251.333 2.937 20 30 CFEDMO C=C(C)CC[N@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000932580516 649623123 /nfs/dbraw/zinc/62/31/23/649623123.db2.gz UWTKEVWYFWDJPD-UHFFFAOYSA-N 1 1 259.275 2.684 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CC[C@@H](c2ncc(C(=O)OC)s2)C1 ZINC000932667339 649635035 /nfs/dbraw/zinc/63/50/35/649635035.db2.gz LZTOPPSYGXMQBN-NWDGAFQWSA-N 1 1 292.404 2.521 20 30 CFEDMO C=CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccncc1 ZINC000932885898 649656870 /nfs/dbraw/zinc/65/68/70/649656870.db2.gz FWEGYMYGMCGCQX-CVEARBPZSA-N 1 1 287.407 2.688 20 30 CFEDMO CC1(C)C[C@H](c2ccccc2)C[N@H+]1C[C@H](O)CC#N ZINC000932903348 649660203 /nfs/dbraw/zinc/66/02/03/649660203.db2.gz NIWULNGGQDYRNP-LSDHHAIUSA-N 1 1 258.365 2.529 20 30 CFEDMO COC(=O)[C@@H]1CC[N@@H+](CCCC(C)(C)C#N)[C@H](C)C1 ZINC000933171583 649677370 /nfs/dbraw/zinc/67/73/70/649677370.db2.gz AJFRQHCHYVEXCJ-CHWSQXEVSA-N 1 1 266.385 2.590 20 30 CFEDMO C=CCCCC[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1[C@@H]1CCCO1 ZINC000933183140 649678144 /nfs/dbraw/zinc/67/81/44/649678144.db2.gz BAGDTSYKPJKMST-XHSDSOJGSA-N 1 1 295.423 2.775 20 30 CFEDMO C#CC[N@@H+](Cc1ccnn1C)[C@H]1CCCc2ccccc21 ZINC000933416671 649692561 /nfs/dbraw/zinc/69/25/61/649692561.db2.gz BXKHJPAFSXBRLR-SFHVURJKSA-N 1 1 279.387 2.933 20 30 CFEDMO C#CC[N@H+](Cc1ccnn1C)[C@H]1CCCc2ccccc21 ZINC000933416671 649692563 /nfs/dbraw/zinc/69/25/63/649692563.db2.gz BXKHJPAFSXBRLR-SFHVURJKSA-N 1 1 279.387 2.933 20 30 CFEDMO Cc1cn[nH]c1C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933606649 649705671 /nfs/dbraw/zinc/70/56/71/649705671.db2.gz LFPUQFRUYOMTRT-UHFFFAOYSA-N 1 1 280.375 2.969 20 30 CFEDMO C=C[C@H](CC)CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000933622337 649706974 /nfs/dbraw/zinc/70/69/74/649706974.db2.gz QFMWUAPRLMAZSK-HUUCEWRRSA-N 1 1 266.429 2.922 20 30 CFEDMO C=CCCC[N@H+]1CCO[C@H](c2ccc(C#N)cc2)C1 ZINC000933629574 649708557 /nfs/dbraw/zinc/70/85/57/649708557.db2.gz SMPGYDYBIOJFRK-INIZCTEOSA-N 1 1 256.349 2.898 20 30 CFEDMO O=C1C=COC2(CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000933651644 649710237 /nfs/dbraw/zinc/71/02/37/649710237.db2.gz IUIXQHAKYQHFJB-UHFFFAOYSA-N 1 1 275.323 2.663 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+]1CCC[C@]2(C=Cc3ccccc3O2)C1 ZINC000933655410 649711068 /nfs/dbraw/zinc/71/10/68/649711068.db2.gz FVVADTFWKPPRHY-WMZOPIPTSA-N 1 1 285.387 2.864 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@@]2(C=Cc3ccccc3O2)C1 ZINC000933658193 649711443 /nfs/dbraw/zinc/71/14/43/649711443.db2.gz YFFZMEFAPXOUPH-MAUKXSAKSA-N 1 1 298.386 2.855 20 30 CFEDMO CC#CCC[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933713124 649716632 /nfs/dbraw/zinc/71/66/32/649716632.db2.gz NJIHIRRVYRVZSH-NSHDSACASA-N 1 1 283.297 2.698 20 30 CFEDMO C[C@]12C[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1[C@H]1CC[C@@H]2C1 ZINC000933710107 649716987 /nfs/dbraw/zinc/71/69/87/649716987.db2.gz PTAIYSOHKZFOKD-ARKGTOAJSA-N 1 1 257.381 2.798 20 30 CFEDMO N#CCC1(C[N@H+]2CCCSC[C@@H]2C2CC2)CC1 ZINC000933913779 649731135 /nfs/dbraw/zinc/73/11/35/649731135.db2.gz WHEBIBPTQJUSKN-CYBMUJFWSA-N 1 1 250.411 2.898 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933733909 649718408 /nfs/dbraw/zinc/71/84/08/649718408.db2.gz KNIMEPGVVOHEPX-AEFFLSMTSA-N 1 1 283.419 2.559 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000933733909 649718418 /nfs/dbraw/zinc/71/84/18/649718418.db2.gz KNIMEPGVVOHEPX-AEFFLSMTSA-N 1 1 283.419 2.559 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H]2CN(C)C[C@@]2(C)C1 ZINC000933733909 649718420 /nfs/dbraw/zinc/71/84/20/649718420.db2.gz KNIMEPGVVOHEPX-AEFFLSMTSA-N 1 1 283.419 2.559 20 30 CFEDMO Cc1cccc(CC[N@H+](C)Cc2cc(C#N)cs2)n1 ZINC000933770701 649720587 /nfs/dbraw/zinc/72/05/87/649720587.db2.gz LYNNIEIZBGLGLO-UHFFFAOYSA-N 1 1 271.389 2.998 20 30 CFEDMO CC[C@@](O)(C[N@H+](C)Cc1cc(C#N)cs1)C(F)(F)F ZINC000933769593 649720716 /nfs/dbraw/zinc/72/07/16/649720716.db2.gz AMDPUPVBUYNYKV-LLVKDONJSA-N 1 1 292.326 2.755 20 30 CFEDMO CC[C@@](O)(C[N@@H+](C)Cc1cc(C#N)cs1)C(F)(F)F ZINC000933769593 649720718 /nfs/dbraw/zinc/72/07/18/649720718.db2.gz AMDPUPVBUYNYKV-LLVKDONJSA-N 1 1 292.326 2.755 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1cccc(C#N)c1 ZINC000933854880 649725601 /nfs/dbraw/zinc/72/56/01/649725601.db2.gz NGIRPPZAPZNTTP-XJKSGUPXSA-N 1 1 285.391 2.608 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCCSC[C@@H]2C2CC2)o1 ZINC000933911169 649731178 /nfs/dbraw/zinc/73/11/78/649731178.db2.gz ARIGQVRPIIGHSW-CQSZACIVSA-N 1 1 262.378 2.869 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCCSC[C@H]1C1CC1 ZINC000933918032 649732448 /nfs/dbraw/zinc/73/24/48/649732448.db2.gz NBZHCXFLTCYWBG-HNNXBMFYSA-N 1 1 296.480 2.629 20 30 CFEDMO N#Cc1cnccc1C[N@H+]1CCCSC[C@@H]1C1CC1 ZINC000933918623 649733081 /nfs/dbraw/zinc/73/30/81/649733081.db2.gz VOGVMCFTVFHQMX-OAHLLOKOSA-N 1 1 273.405 2.671 20 30 CFEDMO CO[C@@H]1CC[C@@H]1[N@@H+](C)CC#Cc1cccc(Cl)c1 ZINC000934104969 649749678 /nfs/dbraw/zinc/74/96/78/649749678.db2.gz LTWCRFHCXJOVAV-LSDHHAIUSA-N 1 1 263.768 2.801 20 30 CFEDMO CO[C@H]1CC[C@H]1[N@@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000934106699 649750482 /nfs/dbraw/zinc/75/04/82/649750482.db2.gz VGGZYENOTBUGGG-KGLIPLIRSA-N 1 1 264.756 2.821 20 30 CFEDMO COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cncs1 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C#Cc1cccc(C[N@H+]2CC[C@H](COCC3CC3)C2)c1 ZINC001231661159 777298792 /nfs/dbraw/zinc/29/87/92/777298792.db2.gz PCMFKCBIUJAOCM-SFHVURJKSA-N 1 1 269.388 2.916 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2csc(C(C)C)n2)C1 ZINC001028870649 777298937 /nfs/dbraw/zinc/29/89/37/777298937.db2.gz SSCGZPKRVRJBNV-LBPRGKRZSA-N 1 1 293.436 2.504 20 30 CFEDMO C#Cc1cccc(C[N@@H+](C)CCc2cccnc2)c1 ZINC001231662067 777299525 /nfs/dbraw/zinc/29/95/25/777299525.db2.gz DLKHTSDHGGOMJR-UHFFFAOYSA-N 1 1 250.345 2.737 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001028908358 777317433 /nfs/dbraw/zinc/31/74/33/777317433.db2.gz JGBKEHYDDIGREB-KGLIPLIRSA-N 1 1 296.842 2.757 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC23CCCC3)C1 ZINC001028908358 777317437 /nfs/dbraw/zinc/31/74/37/777317437.db2.gz JGBKEHYDDIGREB-KGLIPLIRSA-N 1 1 296.842 2.757 20 30 CFEDMO C=C(C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1cscn1 ZINC001270215680 777333622 /nfs/dbraw/zinc/33/36/22/777333622.db2.gz RTBHTYPIVSCJEA-CQSZACIVSA-N 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C#C[C@@H]1CCC[N@@H+](Cc2c[nH]c(Br)c2)C1 ZINC001233437501 779041979 /nfs/dbraw/zinc/04/19/79/779041979.db2.gz BRHRKOVAOYKHKK-SNVBAGLBSA-N 1 1 267.170 2.622 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c(Br)c2)C1 ZINC001233437501 779041985 /nfs/dbraw/zinc/04/19/85/779041985.db2.gz BRHRKOVAOYKHKK-SNVBAGLBSA-N 1 1 267.170 2.622 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@H](C)C2)C1 ZINC001030868976 779068039 /nfs/dbraw/zinc/06/80/39/779068039.db2.gz KZKAMZNCICEQKY-UONOGXRCSA-N 1 1 264.413 2.579 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2ccncc2C(F)(F)F)C1 ZINC001237291823 779070344 /nfs/dbraw/zinc/07/03/44/779070344.db2.gz GELPLLXNLGVBKA-NSHDSACASA-N 1 1 268.282 2.946 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2ccncc2C(F)(F)F)C1 ZINC001237291823 779070346 /nfs/dbraw/zinc/07/03/46/779070346.db2.gz GELPLLXNLGVBKA-NSHDSACASA-N 1 1 268.282 2.946 20 30 CFEDMO C=CCCC(=O)N[C@H](C)C[C@H](C)Nc1cc(C)[nH+]c(C)n1 ZINC001089251478 779082297 /nfs/dbraw/zinc/08/22/97/779082297.db2.gz WAEXANHNJSNXCS-NWDGAFQWSA-N 1 1 290.411 2.755 20 30 CFEDMO C#CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC(CC)CC ZINC001272421951 779091325 /nfs/dbraw/zinc/09/13/25/779091325.db2.gz NMMYMRURXNWUFT-KRWDZBQOSA-N 1 1 276.424 2.513 20 30 CFEDMO CCC(CC)C[N@H+]1CC[C@]2(CCN(CCCC#N)C2=O)C1 ZINC001272421317 779091402 /nfs/dbraw/zinc/09/14/02/779091402.db2.gz JPMWHUKTLUWGFC-KRWDZBQOSA-N 1 1 291.439 2.651 20 30 CFEDMO C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)COC(C)(C)C ZINC001233809981 779091985 /nfs/dbraw/zinc/09/19/85/779091985.db2.gz NGCJZKDSFGPLMG-LSDHHAIUSA-N 1 1 296.455 2.689 20 30 CFEDMO C#CCN1CC[C@]2(CCC[N@H+](C[C@@H](C)CCC)CC2)C1=O ZINC001272433192 779096986 /nfs/dbraw/zinc/09/69/86/779096986.db2.gz UQQUZVGHYJSINI-FUHWJXTLSA-N 1 1 290.451 2.760 20 30 CFEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2CCc2ccccc2)C1=O ZINC001272446673 779101378 /nfs/dbraw/zinc/10/13/78/779101378.db2.gz RNBSOVQWVIHGTH-IBGZPJMESA-N 1 1 298.430 2.872 20 30 CFEDMO C=C1CC(C)(C(=O)NC2C[NH+]([C@H]3CCc4ccccc43)C2)C1 ZINC001030924824 779105299 /nfs/dbraw/zinc/10/52/99/779105299.db2.gz YRTMDHNUKODRNU-KRWDZBQOSA-N 1 1 296.414 2.831 20 30 CFEDMO C=CCN1CC[C@@]2(CCC[N@H+](CCCSC)CC2)C1=O ZINC001272458997 779108704 /nfs/dbraw/zinc/10/87/04/779108704.db2.gz FYQLWJOFDUYSDJ-INIZCTEOSA-N 1 1 296.480 2.630 20 30 CFEDMO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2CCCC ZINC001272467614 779114069 /nfs/dbraw/zinc/11/40/69/779114069.db2.gz UKPANDMIAWOQGX-INIZCTEOSA-N 1 1 264.413 2.820 20 30 CFEDMO Cn1cc(C[N@H+]2CCC[C@](C)(O)CC2)c2cc(C#N)ccc21 ZINC001237466987 779115427 /nfs/dbraw/zinc/11/54/27/779115427.db2.gz PYSMLQVOGDJONC-SFHVURJKSA-N 1 1 297.402 2.787 20 30 CFEDMO Cc1cc(Br)cc(C#N)c1O[C@@H]1CC[N@H+](C)C1 ZINC001234009701 779119703 /nfs/dbraw/zinc/11/97/03/779119703.db2.gz GIMLJTTXRPVFCZ-GFCCVEGCSA-N 1 1 295.180 2.712 20 30 CFEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1sccc1F ZINC001234060067 779129498 /nfs/dbraw/zinc/12/94/98/779129498.db2.gz QCMPUCIZJMSHIQ-LBPRGKRZSA-N 1 1 296.411 3.000 20 30 CFEDMO C=C(C)CN1c2ccccc2[C@@]2(CC[N@@H+](CC3CC3)C2)C1=O ZINC001272484762 779130681 /nfs/dbraw/zinc/13/06/81/779130681.db2.gz YBYJVQVNFWELSS-IBGZPJMESA-N 1 1 296.414 2.963 20 30 CFEDMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2)CC(C)(C)C1 ZINC001089285888 779133897 /nfs/dbraw/zinc/13/38/97/779133897.db2.gz SEHKKYFYBDGXTB-QGZVFWFLSA-N 1 1 299.418 2.685 20 30 CFEDMO COc1cc(C[N@H+](C)Cc2cccc(C#N)c2)cc(OC)n1 ZINC001237559168 779134000 /nfs/dbraw/zinc/13/40/00/779134000.db2.gz MRXOEBRUFDKXSO-UHFFFAOYSA-N 1 1 297.358 2.602 20 30 CFEDMO COc1cc(C[N@@H+](C)Cc2cccc(C#N)c2)cc(OC)n1 ZINC001237559168 779134002 /nfs/dbraw/zinc/13/40/02/779134002.db2.gz MRXOEBRUFDKXSO-UHFFFAOYSA-N 1 1 297.358 2.602 20 30 CFEDMO CCCCCCC[N@H+](C)Cc1cc(C(=O)OC)n(C)n1 ZINC001237563255 779134605 /nfs/dbraw/zinc/13/46/05/779134605.db2.gz LSTABJLNDIPMEC-UHFFFAOYSA-N 1 1 281.400 2.609 20 30 CFEDMO CCCCCCC[N@@H+](C)Cc1cc(C(=O)OC)n(C)n1 ZINC001237563255 779134609 /nfs/dbraw/zinc/13/46/09/779134609.db2.gz LSTABJLNDIPMEC-UHFFFAOYSA-N 1 1 281.400 2.609 20 30 CFEDMO COc1ccc(OC)c(C[NH+]2CCC(CC#N)CC2)c1F ZINC001237583913 779136575 /nfs/dbraw/zinc/13/65/75/779136575.db2.gz FODSYGFDIMPIQN-UHFFFAOYSA-N 1 1 292.354 2.969 20 30 CFEDMO CC[C@H]1CCCC[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237606808 779139904 /nfs/dbraw/zinc/13/99/04/779139904.db2.gz OPDYTSQSHQKAFH-HNNXBMFYSA-N 1 1 268.364 2.970 20 30 CFEDMO N#Cc1ccc2nc(C[N@H+]3CC[C@H]4CCC[C@H]4C3)cn2c1 ZINC001237603530 779140831 /nfs/dbraw/zinc/14/08/31/779140831.db2.gz CJEMIKVFPVKDEN-CABCVRRESA-N 1 1 280.375 2.828 20 30 CFEDMO C[C@@H]1CCCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237609204 779141571 /nfs/dbraw/zinc/14/15/71/779141571.db2.gz ONEQNAVLDYNAQF-CYBMUJFWSA-N 1 1 268.364 2.828 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccc(C(C)C)cn2)C1 ZINC001030956724 779141590 /nfs/dbraw/zinc/14/15/90/779141590.db2.gz IYCQEKBKCGUDRL-UHFFFAOYSA-N 1 1 287.407 2.585 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccnc(OC(F)F)c2)C1 ZINC001237616946 779144294 /nfs/dbraw/zinc/14/42/94/779144294.db2.gz QAMGWDKYPKQYBQ-NSHDSACASA-N 1 1 281.306 2.809 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](Cc2ccnc(OC(F)F)c2)C1 ZINC001237616946 779144300 /nfs/dbraw/zinc/14/43/00/779144300.db2.gz QAMGWDKYPKQYBQ-NSHDSACASA-N 1 1 281.306 2.809 20 30 CFEDMO N#CCCCN1CC[C@]2(CCC[N@H+]2CC2CCCC2)C1=O ZINC001272499452 779146853 /nfs/dbraw/zinc/14/68/53/779146853.db2.gz KYUSHTDWKOTDOE-QGZVFWFLSA-N 1 1 289.423 2.547 20 30 CFEDMO C=CC[NH+]1CCN(Cc2ccc(OCC)cc2F)CC1 ZINC001237631552 779150756 /nfs/dbraw/zinc/15/07/56/779150756.db2.gz VVSNBMVSQKXTGT-UHFFFAOYSA-N 1 1 278.371 2.528 20 30 CFEDMO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234206721 779154842 /nfs/dbraw/zinc/15/48/42/779154842.db2.gz UDNWWSDCQKRUIW-CVEARBPZSA-N 1 1 290.451 2.923 20 30 CFEDMO C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C#CC(C)(C)C ZINC001234215581 779159704 /nfs/dbraw/zinc/15/97/04/779159704.db2.gz MYPRVMRNALWBHF-OAHLLOKOSA-N 1 1 276.424 2.535 20 30 CFEDMO C=CCOc1ccc(CN2CCC[C@H]([NH3+])CC2)cc1 ZINC001205093644 779161580 /nfs/dbraw/zinc/16/15/80/779161580.db2.gz DANVYNFUGOPUKU-HNNXBMFYSA-N 1 1 260.381 2.565 20 30 CFEDMO C#CC[NH+](CC#C)Cc1cc(Br)c(C)cc1O ZINC001237684334 779161776 /nfs/dbraw/zinc/16/17/76/779161776.db2.gz IJXYTQBANHVERG-UHFFFAOYSA-N 1 1 292.176 2.532 20 30 CFEDMO C=CCOc1ccc(CN2CCC[C@@H]([NH3+])CC2)cc1 ZINC001205093645 779161802 /nfs/dbraw/zinc/16/18/02/779161802.db2.gz DANVYNFUGOPUKU-OAHLLOKOSA-N 1 1 260.381 2.565 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cc(C)cc(F)c2)C1 ZINC001030998002 779164405 /nfs/dbraw/zinc/16/44/05/779164405.db2.gz IEEQDFZVATZYBD-UHFFFAOYSA-N 1 1 276.355 2.514 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(C#N)c2)CC[C@@]1(C)O ZINC001237746350 779172829 /nfs/dbraw/zinc/17/28/29/779172829.db2.gz LPEBXKMFDLADLU-IAQYHMDHSA-N 1 1 278.783 2.804 20 30 CFEDMO CC[N@H+]1CCN(Cc2cc(Cl)cc(C#N)c2)C[C@H]1C ZINC001237751976 779174478 /nfs/dbraw/zinc/17/44/78/779174478.db2.gz DGNYDMNNLMRJAU-GFCCVEGCSA-N 1 1 277.799 2.738 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001237753972 779175324 /nfs/dbraw/zinc/17/53/24/779175324.db2.gz QVWNFMIXOLHJEV-ZFWWWQNUSA-N 1 1 276.767 2.822 20 30 CFEDMO C[C@@H]1CO[C@@H]2C[N@H+](Cc3cc(Cl)cc(C#N)c3)C[C@H]12 ZINC001237753434 779175997 /nfs/dbraw/zinc/17/59/97/779175997.db2.gz KPUJTUFFHVEUQC-VCTAVGKDSA-N 1 1 276.767 2.678 20 30 CFEDMO C[C@@H]1CO[C@@H]2C[N@@H+](Cc3cc(Cl)cc(C#N)c3)C[C@H]12 ZINC001237753434 779175998 /nfs/dbraw/zinc/17/59/98/779175998.db2.gz KPUJTUFFHVEUQC-VCTAVGKDSA-N 1 1 276.767 2.678 20 30 CFEDMO C=CC[NH+]1CCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC001237758067 779176915 /nfs/dbraw/zinc/17/69/15/779176915.db2.gz WRKZTIUQUWHNCZ-UHFFFAOYSA-N 1 1 275.783 2.515 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)CC(C)(C)C1 ZINC001089311611 779204558 /nfs/dbraw/zinc/20/45/58/779204558.db2.gz CEADVVYZDAGUKR-CVEARBPZSA-N 1 1 288.435 2.583 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)C1 ZINC001031075305 779212266 /nfs/dbraw/zinc/21/22/66/779212266.db2.gz ZFVRZCRPNNMOFQ-ZIAGYGMSSA-N 1 1 290.432 2.537 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2C=CCC2)CC(C)(C)C1 ZINC001089317418 779228481 /nfs/dbraw/zinc/22/84/81/779228481.db2.gz UIMSSDZYHFVMTD-JKSUJKDBSA-N 1 1 288.435 2.583 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@]1(C)CC=CCC1 ZINC001234528099 779240599 /nfs/dbraw/zinc/24/05/99/779240599.db2.gz RYHPLJNIWYHZHR-DOTOQJQBSA-N 1 1 276.424 2.842 20 30 CFEDMO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC#CC ZINC001099202380 779241331 /nfs/dbraw/zinc/24/13/31/779241331.db2.gz BLFQIISWYSKXQF-MRXNPFEDSA-N 1 1 290.451 2.973 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c(Cl)c1 ZINC001238080363 779247880 /nfs/dbraw/zinc/24/78/80/779247880.db2.gz OQOLSADEFRXYSR-ZIAGYGMSSA-N 1 1 282.746 2.506 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)Cc2coc3ccccc23)C1 ZINC001031145515 779248314 /nfs/dbraw/zinc/24/83/14/779248314.db2.gz GEYULRXRTCSIIQ-UHFFFAOYSA-N 1 1 298.386 2.742 20 30 CFEDMO Cc1[nH+]cc2n1CCN(Cc1ccc(C#N)cc1Cl)C2 ZINC001238081893 779248635 /nfs/dbraw/zinc/24/86/35/779248635.db2.gz CHKJDBIZUAEDSE-UHFFFAOYSA-N 1 1 286.766 2.732 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)c(Cl)c1 ZINC001238087117 779249611 /nfs/dbraw/zinc/24/96/11/779249611.db2.gz UMRCQHPBPDPCJF-HNNXBMFYSA-N 1 1 276.767 2.967 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@]3(CCO3)C2)c(Cl)c1 ZINC001238087117 779249614 /nfs/dbraw/zinc/24/96/14/779249614.db2.gz UMRCQHPBPDPCJF-HNNXBMFYSA-N 1 1 276.767 2.967 20 30 CFEDMO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(Cl)c1 ZINC001238083220 779249834 /nfs/dbraw/zinc/24/98/34/779249834.db2.gz PQIXQCHVQVLRTN-BETUJISGSA-N 1 1 274.751 2.908 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(Cl)c1 ZINC001238083220 779249835 /nfs/dbraw/zinc/24/98/35/779249835.db2.gz PQIXQCHVQVLRTN-BETUJISGSA-N 1 1 274.751 2.908 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCCC[C@@H]2CC)C1 ZINC001031167190 779268051 /nfs/dbraw/zinc/26/80/51/779268051.db2.gz CPDHHLFLKNNGSD-HOCLYGCPSA-N 1 1 278.440 2.969 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(Cc3ccc(Cl)c(C#N)c3)C[C@@H]2C1 ZINC001238190936 779274804 /nfs/dbraw/zinc/27/48/04/779274804.db2.gz GXYBDFLGNUPOJE-HIFRSBDPSA-N 1 1 289.810 2.595 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](O)CC2)ccc1Cl ZINC001238189831 779274870 /nfs/dbraw/zinc/27/48/70/779274870.db2.gz XKPZEJVMBMPJCV-ZDUSSCGKSA-N 1 1 264.756 2.558 20 30 CFEDMO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1ccc(Cl)c(C#N)c1 ZINC001238190035 779275052 /nfs/dbraw/zinc/27/50/52/779275052.db2.gz ZYVPOOMBCWOZDZ-WCQYABFASA-N 1 1 278.783 2.804 20 30 CFEDMO CC[N@@H+](CCC(=O)OC)Cc1ccc(Cl)c(C#N)c1 ZINC001238199050 779278523 /nfs/dbraw/zinc/27/85/23/779278523.db2.gz PJLALSAVGCXAMQ-UHFFFAOYSA-N 1 1 280.755 2.597 20 30 CFEDMO Cc1ncc(C[N@H+](C)Cc2ccc(Cl)c(C#N)c2)cn1 ZINC001238199602 779279476 /nfs/dbraw/zinc/27/94/76/779279476.db2.gz VZYJFDVRZNPYGF-UHFFFAOYSA-N 1 1 286.766 2.942 20 30 CFEDMO Cc1ncc(C[N@@H+](C)Cc2ccc(Cl)c(C#N)c2)cn1 ZINC001238199602 779279482 /nfs/dbraw/zinc/27/94/82/779279482.db2.gz VZYJFDVRZNPYGF-UHFFFAOYSA-N 1 1 286.766 2.942 20 30 CFEDMO C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)CCCC ZINC001281933358 779288685 /nfs/dbraw/zinc/28/86/85/779288685.db2.gz RJJQMNXKMOKNPH-HZPDHXFCSA-N 1 1 278.440 2.759 20 30 CFEDMO C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cc[nH]c1CC ZINC001281933747 779289498 /nfs/dbraw/zinc/28/94/98/779289498.db2.gz UMMQZIDPCITKGX-AWEZNQCLSA-N 1 1 289.423 2.690 20 30 CFEDMO COc1cc(C[N@H+]2CC[C@H]3CCCO[C@H]3C2)ccc1C#N ZINC001238410567 779307441 /nfs/dbraw/zinc/30/74/41/779307441.db2.gz RWCQDCHOLTUWJL-PBHICJAKSA-N 1 1 286.375 2.568 20 30 CFEDMO COc1cc(C[NH+]2CC3(C2)C[C@H](F)CS3)ccc1C#N ZINC001238413326 779308844 /nfs/dbraw/zinc/30/88/44/779308844.db2.gz PDOFHFPVUDKMDC-ZDUSSCGKSA-N 1 1 292.379 2.596 20 30 CFEDMO C=CCCCC(=O)N[C@H](C)CCNc1cc(C)[nH+]c(C)n1 ZINC001106546582 779313892 /nfs/dbraw/zinc/31/38/92/779313892.db2.gz IZZIFBWISNOXBI-GFCCVEGCSA-N 1 1 290.411 2.756 20 30 CFEDMO CC(C)Oc1cncc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC001238471201 779326664 /nfs/dbraw/zinc/32/66/64/779326664.db2.gz LLGXAGAUWWISRW-UHFFFAOYSA-N 1 1 273.380 2.994 20 30 CFEDMO C=CCCCCCCCCC[N@H+]1CCNC[C@@H]1CO ZINC001235442344 779354509 /nfs/dbraw/zinc/35/45/09/779354509.db2.gz KVMUUYMUBQKXCK-MRXNPFEDSA-N 1 1 268.445 2.559 20 30 CFEDMO C=CCCCCCCCCC[N@@H+]1CCNC[C@@H]1CO ZINC001235442344 779354512 /nfs/dbraw/zinc/35/45/12/779354512.db2.gz KVMUUYMUBQKXCK-MRXNPFEDSA-N 1 1 268.445 2.559 20 30 CFEDMO C=CCN1CC[C@@]2(CC[N@H+](Cc3cc(C)ccc3C)C2)C1=O ZINC001272640208 779366482 /nfs/dbraw/zinc/36/64/82/779366482.db2.gz UKMLWCABQRFOQD-LJQANCHMSA-N 1 1 298.430 2.914 20 30 CFEDMO CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[C@H](CC)CC2)C1 ZINC001046788559 779372545 /nfs/dbraw/zinc/37/25/45/779372545.db2.gz DVJOKZHJLHFTQI-BQFCYCMXSA-N 1 1 290.451 2.807 20 30 CFEDMO C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)C1CCC1 ZINC001235780110 779378175 /nfs/dbraw/zinc/37/81/75/779378175.db2.gz SAYLTMLMEAWVOV-HOCLYGCPSA-N 1 1 278.440 2.922 20 30 CFEDMO C=CC[NH+]1CCN(Cc2cc(C)c(C)cc2OC)CC1 ZINC001238763701 779384632 /nfs/dbraw/zinc/38/46/32/779384632.db2.gz MUXHHMFAKNVLGV-UHFFFAOYSA-N 1 1 274.408 2.616 20 30 CFEDMO C=CCN1CC[NH+](Cc2cc(C)c(C)cc2OC)CC1 ZINC001238763701 779384636 /nfs/dbraw/zinc/38/46/36/779384636.db2.gz MUXHHMFAKNVLGV-UHFFFAOYSA-N 1 1 274.408 2.616 20 30 CFEDMO CCc1cc(C[N@H+]2CCCO[C@@H](C)C2)ccc1C#N ZINC001238766081 779385323 /nfs/dbraw/zinc/38/53/23/779385323.db2.gz IHRKJTDLCDRBRL-ZDUSSCGKSA-N 1 1 258.365 2.731 20 30 CFEDMO CCc1cc(C[N@H+]2CCCO[C@H](C)C2)ccc1C#N ZINC001238766077 779386067 /nfs/dbraw/zinc/38/60/67/779386067.db2.gz IHRKJTDLCDRBRL-CYBMUJFWSA-N 1 1 258.365 2.731 20 30 CFEDMO CCc1cc(C[N@H+]2CC[C@H](C(C)=O)C2)ccc1C#N ZINC001238768152 779386285 /nfs/dbraw/zinc/38/62/85/779386285.db2.gz GJWOIIKXQFVOGS-INIZCTEOSA-N 1 1 256.349 2.532 20 30 CFEDMO CCc1cc(C[N@@H+](C)[C@@H]2CCCN(C(C)=O)C2)ccc1C#N ZINC001238769356 779387056 /nfs/dbraw/zinc/38/70/56/779387056.db2.gz RMBFAPAUKOOYMX-GOSISDBHSA-N 1 1 299.418 2.563 20 30 CFEDMO CCc1cc(C[N@H+](CC)CC(C)(C)O)ccc1C#N ZINC001238768593 779387257 /nfs/dbraw/zinc/38/72/57/779387257.db2.gz LNRXFPIHPIAOAP-UHFFFAOYSA-N 1 1 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259.397 2.768 20 30 CFEDMO CCOc1ccc(NCc2ccc(C#N)cc2)[nH+]c1C ZINC000595000222 349543225 /nfs/dbraw/zinc/54/32/25/349543225.db2.gz HVVXKZSTBBSKEF-UHFFFAOYSA-N 1 1 267.332 2.694 20 30 CFEDMO Cc1[nH+]ccn1CCCCNC(=O)c1ccc(C#N)cc1C ZINC000125235872 187175958 /nfs/dbraw/zinc/17/59/58/187175958.db2.gz DVXMSVUBFXINET-UHFFFAOYSA-N 1 1 296.374 2.582 20 30 CFEDMO CCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(C#N)cc2F)C1 ZINC000595097129 349580366 /nfs/dbraw/zinc/58/03/66/349580366.db2.gz PTRGEMBXLAERMS-OCCSQVGLSA-N 1 1 275.371 2.832 20 30 CFEDMO CCCN1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2F)C1 ZINC000595097129 349580371 /nfs/dbraw/zinc/58/03/71/349580371.db2.gz PTRGEMBXLAERMS-OCCSQVGLSA-N 1 1 275.371 2.832 20 30 CFEDMO CC(C)C[C@H]1COCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595316384 349600682 /nfs/dbraw/zinc/60/06/82/349600682.db2.gz BZZQSOPWJZUHMH-KRWDZBQOSA-N 1 1 272.392 2.848 20 30 CFEDMO CC[C@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000595318212 349601404 /nfs/dbraw/zinc/60/14/04/349601404.db2.gz 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LNVWLCANRALJKH-LBPRGKRZSA-N 1 1 262.353 2.828 20 30 CFEDMO N#CC1(CC[N@H+](CC(N)=O)C2CCCC2)CCCCC1 ZINC000591013271 348978080 /nfs/dbraw/zinc/97/80/80/348978080.db2.gz QOFKHCHYAWVCQT-UHFFFAOYSA-N 1 1 277.412 2.580 20 30 CFEDMO CCOC(=O)CC[C@@H]1CCC[N@H+]([C@@H](C)CCC#N)C1 ZINC000591020989 348979216 /nfs/dbraw/zinc/97/92/16/348979216.db2.gz OZPDPEJGGBYRCP-KBPBESRZSA-N 1 1 266.385 2.734 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000591041818 348982117 /nfs/dbraw/zinc/98/21/17/348982117.db2.gz ZBGNNRUBUMMTII-QGZVFWFLSA-N 1 1 270.376 2.868 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCO[C@@H](C2CCC2)C1 ZINC000591041818 348982120 /nfs/dbraw/zinc/98/21/20/348982120.db2.gz ZBGNNRUBUMMTII-QGZVFWFLSA-N 1 1 270.376 2.868 20 30 CFEDMO CC(C)(C#N)c1ccc(C[N@@H+]2CCO[C@@H](CF)C2)cc1 ZINC000591041645 348982129 /nfs/dbraw/zinc/98/21/29/348982129.db2.gz ZJQBNVMDNRAKSA-HNNXBMFYSA-N 1 1 276.355 2.658 20 30 CFEDMO CC(C)(C#N)c1ccc(C[N@H+]2CCO[C@@H](CF)C2)cc1 ZINC000591041645 348982133 /nfs/dbraw/zinc/98/21/33/348982133.db2.gz ZJQBNVMDNRAKSA-HNNXBMFYSA-N 1 1 276.355 2.658 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)c1ccn(C)n1 ZINC000591241367 349002627 /nfs/dbraw/zinc/00/26/27/349002627.db2.gz QMCGTMOWAXXXLZ-SNVBAGLBSA-N 1 1 274.755 2.796 20 30 CFEDMO Cc1cc(NC(=O)[C@H]2CCO[C@@H]2C)cn2cc[nH+]c12 ZINC000329407101 539698068 /nfs/dbraw/zinc/69/80/68/539698068.db2.gz ZNMNVALVKYFJGC-PWSUYJOCSA-N 1 1 259.309 2.656 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1cnn(C)c1 ZINC000591853685 349051077 /nfs/dbraw/zinc/05/10/77/349051077.db2.gz WSVHYXVXHXNJDY-CQSZACIVSA-N 1 1 282.391 2.917 20 30 CFEDMO C[C@H]1CC[NH2+]CC[C@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000591573441 349031177 /nfs/dbraw/zinc/03/11/77/349031177.db2.gz WXKIRFBPSNGRQH-XHDPSFHLSA-N 1 1 277.799 2.689 20 30 CFEDMO C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591581398 349032587 /nfs/dbraw/zinc/03/25/87/349032587.db2.gz VHKXEOORPQKXQU-CSMYWGQOSA-N 1 1 269.392 2.523 20 30 CFEDMO 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N#CCCCC[NH+]1CCN(c2c(F)cccc2F)CC1 ZINC000592132968 349088673 /nfs/dbraw/zinc/08/86/73/349088673.db2.gz QHMRZCJQONTYNY-UHFFFAOYSA-N 1 1 279.334 2.781 20 30 CFEDMO CC[C@H](c1ccc(F)cc1F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149965 349091029 /nfs/dbraw/zinc/09/10/29/349091029.db2.gz ALSNFEDGWYDLIG-CABCVRRESA-N 1 1 280.318 2.766 20 30 CFEDMO CC[C@H](c1ccc(F)cc1F)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149965 349091032 /nfs/dbraw/zinc/09/10/32/349091032.db2.gz ALSNFEDGWYDLIG-CABCVRRESA-N 1 1 280.318 2.766 20 30 CFEDMO C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146974 349091181 /nfs/dbraw/zinc/09/11/81/349091181.db2.gz LJNGXWHOBDZOEO-SMDDNHRTSA-N 1 1 264.756 2.751 20 30 CFEDMO C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592146974 349091183 /nfs/dbraw/zinc/09/11/83/349091183.db2.gz LJNGXWHOBDZOEO-SMDDNHRTSA-N 1 1 264.756 2.751 20 30 CFEDMO CC[C@@H](c1ccc(F)cc1F)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149968 349091343 /nfs/dbraw/zinc/09/13/43/349091343.db2.gz ALSNFEDGWYDLIG-LSDHHAIUSA-N 1 1 280.318 2.766 20 30 CFEDMO CC[C@@H](c1ccc(F)cc1F)[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592149968 349091347 /nfs/dbraw/zinc/09/13/47/349091347.db2.gz ALSNFEDGWYDLIG-LSDHHAIUSA-N 1 1 280.318 2.766 20 30 CFEDMO N#CC[C@]1(O)CC[N@@H+](CCCc2ccc(Cl)cc2)C1 ZINC000592150277 349091370 /nfs/dbraw/zinc/09/13/70/349091370.db2.gz DDQNXSZPVYHKPH-HNNXBMFYSA-N 1 1 278.783 2.623 20 30 CFEDMO CC(C)(C)OC(=O)C1(C)CC[NH+](CC2(C#N)CC2)CC1 ZINC000592158932 349093796 /nfs/dbraw/zinc/09/37/96/349093796.db2.gz NAPVNVMVKQGNGA-UHFFFAOYSA-N 1 1 278.396 2.734 20 30 CFEDMO C[C@@H]1CC2(C[N@H+]1Cc1cccc(C#N)c1)CCOCC2 ZINC000592183453 349096848 /nfs/dbraw/zinc/09/68/48/349096848.db2.gz ITXSDEUUNDBTKI-CQSZACIVSA-N 1 1 270.376 2.949 20 30 CFEDMO CC[N@@H+](CCSC)Cc1cc(C#N)ccc1F ZINC000592198052 349097305 /nfs/dbraw/zinc/09/73/05/349097305.db2.gz HOIOLHXIEAJVLF-UHFFFAOYSA-N 1 1 252.358 2.882 20 30 CFEDMO CC[N@@H+](CCSC)Cc1ccc(F)c(C#N)c1 ZINC000592200116 349098718 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349211095 /nfs/dbraw/zinc/21/10/95/349211095.db2.gz IWGNZYYBSFOPGA-UHFFFAOYSA-N 1 1 251.418 2.734 20 30 CFEDMO N#Cc1ccc(OCC[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000593114583 349212138 /nfs/dbraw/zinc/21/21/38/349212138.db2.gz DDHVKSBWHQTNLI-CQSZACIVSA-N 1 1 278.302 2.668 20 30 CFEDMO CC1(C)C[N@H+](CCC2(C#N)CCCCC2)[C@@H]2COC[C@H]2O1 ZINC000593119036 349214404 /nfs/dbraw/zinc/21/44/04/349214404.db2.gz XCLBDLXIWHZHHM-HUUCEWRRSA-N 1 1 292.423 2.729 20 30 CFEDMO CC1(C)C[N@@H+](CCC2(C#N)CCCCC2)[C@@H]2COC[C@H]2O1 ZINC000593119036 349214408 /nfs/dbraw/zinc/21/44/08/349214408.db2.gz XCLBDLXIWHZHHM-HUUCEWRRSA-N 1 1 292.423 2.729 20 30 CFEDMO CC[C@H]1COC(C)(C)C[N@H+]1CCCSCC#N ZINC000593057323 349197066 /nfs/dbraw/zinc/19/70/66/349197066.db2.gz SWIUZIRJVOWPNL-LBPRGKRZSA-N 1 1 256.415 2.523 20 30 CFEDMO CC[C@H]1C[N@@H+](CCCC2(C#N)CCOCC2)[C@@H](C)CO1 ZINC000593063774 349199176 /nfs/dbraw/zinc/19/91/76/349199176.db2.gz WQNBVZYMPKYHGH-GJZGRUSLSA-N 1 1 280.412 2.586 20 30 CFEDMO CC[C@H](C#N)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000593567875 349294009 /nfs/dbraw/zinc/29/40/09/349294009.db2.gz CXMLEMOJSUSZKX-ZMSDIMECSA-N 1 1 299.418 2.658 20 30 CFEDMO CC[C@H](C#N)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000593567875 349294011 /nfs/dbraw/zinc/29/40/11/349294011.db2.gz CXMLEMOJSUSZKX-ZMSDIMECSA-N 1 1 299.418 2.658 20 30 CFEDMO CC[C@@H](C#N)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000593407761 349262057 /nfs/dbraw/zinc/26/20/57/349262057.db2.gz VYBDGIRCLFALFP-AWEZNQCLSA-N 1 1 287.407 2.693 20 30 CFEDMO CC(C)C[N@@H+](C)CCCNc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000593480101 349278801 /nfs/dbraw/zinc/27/88/01/349278801.db2.gz MCDNITDNAJMKQK-UHFFFAOYSA-N 1 1 290.367 2.856 20 30 CFEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2cccs2)no1 ZINC000593943354 349336941 /nfs/dbraw/zinc/33/69/41/349336941.db2.gz MQLMAMNGUHDYPH-VIFPVBQESA-N 1 1 262.338 2.882 20 30 CFEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc3c(c2)CCO3)no1 ZINC000593944292 349337936 /nfs/dbraw/zinc/33/79/36/349337936.db2.gz WCCLOWAJDIHFLK-ZDUSSCGKSA-N 1 1 298.346 2.755 20 30 CFEDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)cn1 ZINC000593987485 349346257 /nfs/dbraw/zinc/34/62/57/349346257.db2.gz UNEADIJBFKSSHB-UHFFFAOYSA-N 1 1 296.330 2.536 20 30 CFEDMO Cc1cc(C[NH2+]C2(c3ccc(C#N)cc3)CCC2)ncn1 ZINC000594036183 349359044 /nfs/dbraw/zinc/35/90/44/349359044.db2.gz ZCYBNAXFJZOWER-UHFFFAOYSA-N 1 1 278.359 2.826 20 30 CFEDMO CC(C)[C@@H](C#N)NC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000593999725 349350058 /nfs/dbraw/zinc/35/00/58/349350058.db2.gz GVFXJNXVLJCLCV-KGLIPLIRSA-N 1 1 293.798 2.607 20 30 CFEDMO CC(=O)Nc1ccccc1C[NH2+]CC1(C#N)CCCC1 ZINC000593652806 349303711 /nfs/dbraw/zinc/30/37/11/349303711.db2.gz OFRLNHLCDKDZJE-UHFFFAOYSA-N 1 1 271.364 2.819 20 30 CFEDMO CCC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C(C)C ZINC000594023412 349355806 /nfs/dbraw/zinc/35/58/06/349355806.db2.gz DMBCCRRNDGLUKD-MRXNPFEDSA-N 1 1 290.407 2.613 20 30 CFEDMO CC[C@H](C#N)C(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000593718515 349314715 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CFEDMO N#CCC1(C[NH2+]Cc2nc3cc(F)ccc3o2)CC1 ZINC000602017334 350832888 /nfs/dbraw/zinc/83/28/88/350832888.db2.gz OOZNBINDZRPOKW-UHFFFAOYSA-N 1 1 259.284 2.750 20 30 CFEDMO N#Cc1c(F)cccc1C[NH2+]CCOCC1CCC1 ZINC000602017097 350833381 /nfs/dbraw/zinc/83/33/81/350833381.db2.gz MJMGZTXWGDIQSG-UHFFFAOYSA-N 1 1 262.328 2.604 20 30 CFEDMO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccc(C#N)cc1 ZINC000602022809 350834788 /nfs/dbraw/zinc/83/47/88/350834788.db2.gz VPVXQLUZYBQYIR-BBRMVZONSA-N 1 1 271.408 2.987 20 30 CFEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 ZINC000602162590 350848528 /nfs/dbraw/zinc/84/85/28/350848528.db2.gz ZAEFZDFSQAFQBH-RDJZCZTQSA-N 1 1 299.418 2.880 20 30 CFEDMO N#CC1(CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)CCCCC1 ZINC000602183491 350850127 /nfs/dbraw/zinc/85/01/27/350850127.db2.gz NCTHUYHWTOHCLF-OAHLLOKOSA-N 1 1 289.423 2.594 20 30 CFEDMO Cc1c[nH+]cn1CC(=O)N(c1ccc(C#N)cc1)C1CCC1 ZINC000602356315 350868746 /nfs/dbraw/zinc/86/87/46/350868746.db2.gz ABUVPYXYZDITJY-UHFFFAOYSA-N 1 1 294.358 2.649 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+](C)CCN(C)c1ccccc1 ZINC000602476602 350898712 /nfs/dbraw/zinc/89/87/12/350898712.db2.gz SREJTMHBNMPRKI-OAHLLOKOSA-N 1 1 259.397 2.994 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000602478411 350899527 /nfs/dbraw/zinc/89/95/27/350899527.db2.gz XULYZNFKVAMWLW-GJZGRUSLSA-N 1 1 250.386 2.819 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000602480808 350899541 /nfs/dbraw/zinc/89/95/41/350899541.db2.gz YUVIQZLKYSMBGC-HIFRSBDPSA-N 1 1 250.386 2.675 20 30 CFEDMO C[C@H](C#N)C[N@H+](Cc1ccc2nccnc2c1)C1CC1 ZINC000602482877 350901166 /nfs/dbraw/zinc/90/11/66/350901166.db2.gz GZJMBCQAJAMNPC-GFCCVEGCSA-N 1 1 266.348 2.754 20 30 CFEDMO C[C@H](C#N)C[N@@H+](Cc1ccc2nccnc2c1)C1CC1 ZINC000602482877 350901168 /nfs/dbraw/zinc/90/11/68/350901168.db2.gz GZJMBCQAJAMNPC-GFCCVEGCSA-N 1 1 266.348 2.754 20 30 CFEDMO COc1ccccc1[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602513158 350911308 /nfs/dbraw/zinc/91/13/08/350911308.db2.gz ZTMCXEIUEGWDOY-LBPRGKRZSA-N 1 1 267.332 2.813 20 30 CFEDMO CCCCN1CCC([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602537084 350917568 /nfs/dbraw/zinc/91/75/68/350917568.db2.gz YRDJHVUUCCQEEA-AWEZNQCLSA-N 1 1 251.418 2.780 20 30 CFEDMO N#Cc1cccc(C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)n1 ZINC000602536643 350917808 /nfs/dbraw/zinc/91/78/08/350917808.db2.gz VXUPFPLZIRTVHS-MSOLQXFVSA-N 1 1 293.370 2.963 20 30 CFEDMO CC(C)[C@H]([NH2+]C[C@@H](C)CCC#N)C(=O)OC(C)(C)C ZINC000602573010 350929491 /nfs/dbraw/zinc/92/94/91/350929491.db2.gz WGAAWQHSWSGAGV-STQMWFEESA-N 1 1 268.401 2.882 20 30 CFEDMO CC(C)[C@@H]([NH2+]C[C@@H](C)CCC#N)C(=O)OC(C)(C)C ZINC000602583254 350934304 /nfs/dbraw/zinc/93/43/04/350934304.db2.gz WGAAWQHSWSGAGV-QWHCGFSZSA-N 1 1 268.401 2.882 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000602586118 350936656 /nfs/dbraw/zinc/93/66/56/350936656.db2.gz ZMCLBJMMTXPRCJ-NVXWUHKLSA-N 1 1 272.392 2.870 20 30 CFEDMO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H](C)CCC#N ZINC000602425262 350877394 /nfs/dbraw/zinc/87/73/94/350877394.db2.gz OGMAQELAWPLWQE-BBRMVZONSA-N 1 1 286.375 2.526 20 30 CFEDMO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H](C)CCC#N ZINC000602425262 350877395 /nfs/dbraw/zinc/87/73/95/350877395.db2.gz OGMAQELAWPLWQE-BBRMVZONSA-N 1 1 286.375 2.526 20 30 CFEDMO CCOc1ccc(C#N)cc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602591804 350938273 /nfs/dbraw/zinc/93/82/73/350938273.db2.gz MXWBJVRTXKBLKV-TZMCWYRMSA-N 1 1 273.380 2.852 20 30 CFEDMO CC(C)[N@H+](C)CC1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602447980 350886859 /nfs/dbraw/zinc/88/68/59/350886859.db2.gz JBDUTPRNLHDXAF-UHFFFAOYSA-N 1 1 286.423 2.505 20 30 CFEDMO CC(C)[N@@H+](C)CC1CCN(Cc2cccc(C#N)n2)CC1 ZINC000602447980 350886864 /nfs/dbraw/zinc/88/68/64/350886864.db2.gz JBDUTPRNLHDXAF-UHFFFAOYSA-N 1 1 286.423 2.505 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000602447416 350886916 /nfs/dbraw/zinc/88/69/16/350886916.db2.gz FVYIHDCFJMESJX-JKSUJKDBSA-N 1 1 263.429 2.877 20 30 CFEDMO C[C@@H](CCC#N)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000602447416 350886922 /nfs/dbraw/zinc/88/69/22/350886922.db2.gz FVYIHDCFJMESJX-JKSUJKDBSA-N 1 1 263.429 2.877 20 30 CFEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602449130 350887472 /nfs/dbraw/zinc/88/74/72/350887472.db2.gz NKFCTJIOKAFONZ-OWCLPIDISA-N 1 1 293.455 2.943 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CC3C[C@@H]4CC2C[C@H](C3)C4)n1 ZINC000602449677 350888475 /nfs/dbraw/zinc/88/84/75/350888475.db2.gz QMXVRYVLADCDEN-HFZWIWRYSA-N 1 1 267.376 2.964 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cccc(C#N)n2)C1 ZINC000602453300 350889707 /nfs/dbraw/zinc/88/97/07/350889707.db2.gz KDOOZKXYAGHGJB-RVKKMQEKSA-N 1 1 298.434 2.790 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O ZINC000602464063 350891206 /nfs/dbraw/zinc/89/12/06/350891206.db2.gz IQOXOZRVUCOKGJ-HOCLYGCPSA-N 1 1 285.391 2.664 20 30 CFEDMO C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602472726 350895281 /nfs/dbraw/zinc/89/52/81/350895281.db2.gz BFOAAIOEQVSDPF-ZDUSSCGKSA-N 1 1 263.344 2.900 20 30 CFEDMO C[C@H]1Cc2ccccc2C[N@H+]1Cc1cccc(C#N)n1 ZINC000602472726 350895282 /nfs/dbraw/zinc/89/52/82/350895282.db2.gz BFOAAIOEQVSDPF-ZDUSSCGKSA-N 1 1 263.344 2.900 20 30 CFEDMO CC[C@@H]1C[N@@H+](C[C@H](C)CCC#N)[C@H](CC)CN1C(C)=O ZINC000602475801 350897553 /nfs/dbraw/zinc/89/75/53/350897553.db2.gz KSJJZPBFHIFZAE-FVQBIDKESA-N 1 1 279.428 2.648 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000602739996 351010111 /nfs/dbraw/zinc/01/01/11/351010111.db2.gz PHJCDJGTXVSARX-IYXRBSQSSA-N 1 1 287.411 2.547 20 30 CFEDMO N#Cc1c(F)cccc1C[NH+]1CC(C2CCOCC2)C1 ZINC000602651547 350962132 /nfs/dbraw/zinc/96/21/32/350962132.db2.gz IZZKIBCJQJLENX-UHFFFAOYSA-N 1 1 274.339 2.556 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+](CCN(C)C)Cc1ccc(C#N)cc1 ZINC000602659541 350964827 /nfs/dbraw/zinc/96/48/27/350964827.db2.gz PEHRMZMHSCJCHF-MRXNPFEDSA-N 1 1 298.434 2.862 20 30 CFEDMO C[C@H](CCC#N)CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000602659541 350964831 /nfs/dbraw/zinc/96/48/31/350964831.db2.gz PEHRMZMHSCJCHF-MRXNPFEDSA-N 1 1 298.434 2.862 20 30 CFEDMO C[C@H](O)C[C@H]1CCCCC[N@H+]1C[C@@H](C)CCC#N ZINC000602663250 350966491 /nfs/dbraw/zinc/96/64/91/350966491.db2.gz RKCACPSFCUMIFX-SOUVJXGZSA-N 1 1 252.402 2.942 20 30 CFEDMO CC[N@H+](Cc1cccc(C#N)n1)[C@H](C)c1cccnc1 ZINC000602665239 350967465 /nfs/dbraw/zinc/96/74/65/350967465.db2.gz GANNRTADVHWAFU-CYBMUJFWSA-N 1 1 266.348 2.931 20 30 CFEDMO CC[N@@H+](Cc1cccc(C#N)n1)[C@H](C)c1cccnc1 ZINC000602665239 350967470 /nfs/dbraw/zinc/96/74/70/350967470.db2.gz GANNRTADVHWAFU-CYBMUJFWSA-N 1 1 266.348 2.931 20 30 CFEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602669506 350969604 /nfs/dbraw/zinc/96/96/04/350969604.db2.gz ZUYRTKNIDATZDW-HNNXBMFYSA-N 1 1 281.363 2.630 20 30 CFEDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(C#N)n1 ZINC000602669506 350969608 /nfs/dbraw/zinc/96/96/08/350969608.db2.gz ZUYRTKNIDATZDW-HNNXBMFYSA-N 1 1 281.363 2.630 20 30 CFEDMO C[C@H](CCC#N)C[NH2+]C1(c2noc(C(F)F)n2)CCC1 ZINC000602670898 350970017 /nfs/dbraw/zinc/97/00/17/350970017.db2.gz HQFCYWRCVOQJCZ-SECBINFHSA-N 1 1 284.310 2.916 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000602676783 350973595 /nfs/dbraw/zinc/97/35/95/350973595.db2.gz DTSZEBKSXBBPJI-ZIAGYGMSSA-N 1 1 279.428 2.540 20 30 CFEDMO C[C@@H](CCC#N)CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000602677001 350973818 /nfs/dbraw/zinc/97/38/18/350973818.db2.gz PHSYCOUAGKNJIV-WMLDXEAASA-N 1 1 287.407 2.605 20 30 CFEDMO Cc1ncc([C@H](C)[NH2+]Cc2cccc(C#N)n2)s1 ZINC000602737577 351008436 /nfs/dbraw/zinc/00/84/36/351008436.db2.gz YLXCWKMCLIGLPY-VIFPVBQESA-N 1 1 258.350 2.569 20 30 CFEDMO CCOc1cccc(C[N@@H+](CCO)C[C@H](C)CCC#N)c1 ZINC000602687020 350979455 /nfs/dbraw/zinc/97/94/55/350979455.db2.gz UEQAGZFKLDDMPO-OAHLLOKOSA-N 1 1 290.407 2.819 20 30 CFEDMO CC(C)C[N@H+](Cc1cnn(C)c1)C[C@@H](C)CCC#N ZINC000602690621 350980392 /nfs/dbraw/zinc/98/03/92/350980392.db2.gz PBRJSKWLPRVANR-AWEZNQCLSA-N 1 1 262.401 2.818 20 30 CFEDMO C[C@H](CCC#N)C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC000602689746 350980674 /nfs/dbraw/zinc/98/06/74/350980674.db2.gz ZSMNYTHFYRPEHS-GFCCVEGCSA-N 1 1 289.335 2.598 20 30 CFEDMO N#CC1(C[NH2+]Cc2ccccc2OCCCCO)CCC1 ZINC000602696370 350983375 /nfs/dbraw/zinc/98/33/75/350983375.db2.gz QMGXVXWTDRSLCZ-UHFFFAOYSA-N 1 1 288.391 2.621 20 30 CFEDMO COC(=O)[C@@H](CC(C)(C)C)[NH2+]C1CCC(C#N)CC1 ZINC000602697890 350984766 /nfs/dbraw/zinc/98/47/66/350984766.db2.gz BTBOZDPTGGHASL-WXRRBKDZSA-N 1 1 266.385 2.636 20 30 CFEDMO CC[C@H]([NH2+]C[C@H](C)CCC#N)C(=O)OC(C)(C)C ZINC000602701550 350987122 /nfs/dbraw/zinc/98/71/22/350987122.db2.gz CUKNYTSTQSASMN-NEPJUHHUSA-N 1 1 254.374 2.636 20 30 CFEDMO CC[C@H](C)[C@H](C[N@@H+]1Cc2cccc(C#N)c2C1)OC ZINC000602707952 350991928 /nfs/dbraw/zinc/99/19/28/350991928.db2.gz UXLKIPZWDCSWNO-LRDDRELGSA-N 1 1 258.365 2.935 20 30 CFEDMO CC[C@H](C)[C@H](C[N@H+]1Cc2cccc(C#N)c2C1)OC ZINC000602707952 350991931 /nfs/dbraw/zinc/99/19/31/350991931.db2.gz UXLKIPZWDCSWNO-LRDDRELGSA-N 1 1 258.365 2.935 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCN(C)C[C@H]1Cc1ccccc1 ZINC000602711294 350993864 /nfs/dbraw/zinc/99/38/64/350993864.db2.gz IVEBHQZXMFERET-FUHWJXTLSA-N 1 1 285.435 2.785 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000602711292 350993993 /nfs/dbraw/zinc/99/39/93/350993993.db2.gz IVEBHQZXMFERET-AEFFLSMTSA-N 1 1 285.435 2.785 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCCC(F)(F)CC2)n1 ZINC000602721603 350999887 /nfs/dbraw/zinc/99/98/87/350999887.db2.gz RCGFKLQQVVJUAF-UHFFFAOYSA-N 1 1 251.280 2.574 20 30 CFEDMO COC(=O)[C@H]1C[N@@H+](C[C@@H](C)CCC#N)Cc2ccccc21 ZINC000602729372 351003391 /nfs/dbraw/zinc/00/33/91/351003391.db2.gz JKFJAODBPFBLAU-BBRMVZONSA-N 1 1 286.375 2.699 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCOc2cc(F)ccc2C1 ZINC000602730576 351003907 /nfs/dbraw/zinc/00/39/07/351003907.db2.gz QNBTUWPGFREWPC-LBPRGKRZSA-N 1 1 262.328 2.960 20 30 CFEDMO C=C(C)C[C@H]([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C(=O)OC ZINC000602733048 351005481 /nfs/dbraw/zinc/00/54/81/351005481.db2.gz HEKPLKXZXQEULB-JJXSEGSLSA-N 1 1 295.423 2.679 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](COc2ccccc2)C1 ZINC000602634400 350955510 /nfs/dbraw/zinc/95/55/10/350955510.db2.gz OZRLOVJGLFFBIU-NVXWUHKLSA-N 1 1 288.391 2.706 20 30 CFEDMO CC[N@@H+](CCc1cnccn1)[C@H](C)c1ccc(C#N)cc1 ZINC000602765602 351017563 /nfs/dbraw/zinc/01/75/63/351017563.db2.gz XAASADVSTAVOON-CQSZACIVSA-N 1 1 280.375 2.974 20 30 CFEDMO COc1cc(C[N@@H+](C)CC2(CC#N)CC2)ccc1O ZINC000602773416 351020461 /nfs/dbraw/zinc/02/04/61/351020461.db2.gz RQQLUFLWIXPIJZ-UHFFFAOYSA-N 1 1 260.337 2.526 20 30 CFEDMO CC[N@H+](CC1(CC#N)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000602785798 351024487 /nfs/dbraw/zinc/02/44/87/351024487.db2.gz YEZGAWREIYXCCE-INIZCTEOSA-N 1 1 297.402 2.808 20 30 CFEDMO CC[N@@H+](CC1(CC#N)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000602785798 351024489 /nfs/dbraw/zinc/02/44/89/351024489.db2.gz YEZGAWREIYXCCE-INIZCTEOSA-N 1 1 297.402 2.808 20 30 CFEDMO CCOC(=O)C1([N@H+](C)CC2(CC#N)CC2)CCCCC1 ZINC000602796578 351028551 /nfs/dbraw/zinc/02/85/51/351028551.db2.gz QSSRYZCQXNXYOU-UHFFFAOYSA-N 1 1 278.396 2.878 20 30 CFEDMO CCOC(=O)C1([N@@H+](C)CC2(CC#N)CC2)CCCCC1 ZINC000602796578 351028554 /nfs/dbraw/zinc/02/85/54/351028554.db2.gz QSSRYZCQXNXYOU-UHFFFAOYSA-N 1 1 278.396 2.878 20 30 CFEDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CC1(CC#N)CC1 ZINC000602825243 351038058 /nfs/dbraw/zinc/03/80/58/351038058.db2.gz RNCGOVDEJCLIHE-HNNXBMFYSA-N 1 1 299.418 2.832 20 30 CFEDMO C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)CC1(CC#N)CC1 ZINC000602825243 351038060 /nfs/dbraw/zinc/03/80/60/351038060.db2.gz RNCGOVDEJCLIHE-HNNXBMFYSA-N 1 1 299.418 2.832 20 30 CFEDMO COCC[N@@H+](CC1(CC#N)CC1)[C@H]1CC[C@@H](C)C1 ZINC000602822781 351038142 /nfs/dbraw/zinc/03/81/42/351038142.db2.gz BETMSCDQRRZIFF-KGLIPLIRSA-N 1 1 250.386 2.817 20 30 CFEDMO CCC[N@H+](CC1(CC#N)CC1)[C@@H](CC)C(=O)OCC ZINC000602833386 351039981 /nfs/dbraw/zinc/03/99/81/351039981.db2.gz YISMSYYXISZPLN-ZDUSSCGKSA-N 1 1 266.385 2.734 20 30 CFEDMO CCC[N@@H+](CC1(CC#N)CC1)[C@@H](CC)C(=O)OCC ZINC000602833386 351039985 /nfs/dbraw/zinc/03/99/85/351039985.db2.gz YISMSYYXISZPLN-ZDUSSCGKSA-N 1 1 266.385 2.734 20 30 CFEDMO C[C@H]1C[N@@H+](CC2(CC#N)CC2)Cc2ccccc2O1 ZINC000602842361 351042793 /nfs/dbraw/zinc/04/27/93/351042793.db2.gz UTSVWOOMSGKHOI-ZDUSSCGKSA-N 1 1 256.349 2.963 20 30 CFEDMO COc1cccc([C@H](C)[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)c1 ZINC000602852831 351045895 /nfs/dbraw/zinc/04/58/95/351045895.db2.gz DJEVHMQSSGUZCX-ZNMIVQPWSA-N 1 1 287.407 2.674 20 30 CFEDMO N#CCC[C@@H](C#N)C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602852629 351045937 /nfs/dbraw/zinc/04/59/37/351045937.db2.gz FCKSXCDHGLAQBV-HOCLYGCPSA-N 1 1 268.364 2.705 20 30 CFEDMO N#CCC[C@@H](C#N)C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602852629 351045940 /nfs/dbraw/zinc/04/59/40/351045940.db2.gz FCKSXCDHGLAQBV-HOCLYGCPSA-N 1 1 268.364 2.705 20 30 CFEDMO C[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H](C)N1CC#N ZINC000602855997 351046961 /nfs/dbraw/zinc/04/69/61/351046961.db2.gz XPLFSMNJULLYGW-GASCZTMLSA-N 1 1 263.429 2.875 20 30 CFEDMO N#CCSCCC[N@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602856885 351047032 /nfs/dbraw/zinc/04/70/32/351047032.db2.gz STPMZJFAQXSXAF-OAHLLOKOSA-N 1 1 275.421 2.908 20 30 CFEDMO CCc1ccc(CC[N@@H+]2C[C@@H](C)N(CC#N)[C@@H](C)C2)cc1 ZINC000602855562 351047609 /nfs/dbraw/zinc/04/76/09/351047609.db2.gz ICLFJBZNVNNJQQ-IYBDPMFKSA-N 1 1 285.435 2.710 20 30 CFEDMO C[C@H](CC#N)[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000602862890 351049971 /nfs/dbraw/zinc/04/99/71/351049971.db2.gz MKORIMJLFBMRDW-SNVBAGLBSA-N 1 1 288.269 2.856 20 30 CFEDMO C[C@@H](CC#N)[NH2+]CCSc1ccc(F)cc1F ZINC000602871726 351053687 /nfs/dbraw/zinc/05/36/87/351053687.db2.gz VIBJBRPOVNOAJR-VIFPVBQESA-N 1 1 256.321 2.949 20 30 CFEDMO CN1CC[N@@H+](CCC(C)(C)C#N)C[C@@H]1C(C)(C)C ZINC000602872214 351054114 /nfs/dbraw/zinc/05/41/14/351054114.db2.gz AOEZHTTXIOLJIC-CYBMUJFWSA-N 1 1 251.418 2.588 20 30 CFEDMO C[N@@H+]1CCN(CCC(C)(C)C#N)C[C@@H]1C(C)(C)C ZINC000602872214 351054117 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C=CCC[N@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000276374199 193305198 /nfs/dbraw/zinc/30/51/98/193305198.db2.gz HFHHIPADUXDSKM-NSHDSACASA-N 1 1 258.325 2.701 20 30 CFEDMO C=CCC[N@H+](C)C[C@H](O)c1ccc(Br)cc1 ZINC000276381368 193308923 /nfs/dbraw/zinc/30/89/23/193308923.db2.gz IFOPSJZDCCZPTP-ZDUSSCGKSA-N 1 1 284.197 2.990 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000276391084 193312293 /nfs/dbraw/zinc/31/22/93/193312293.db2.gz JJGKPQYAGCDVRZ-LLVKDONJSA-N 1 1 251.326 2.944 20 30 CFEDMO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cn1 ZINC000276404285 193317216 /nfs/dbraw/zinc/31/72/16/193317216.db2.gz UYRJLXGFSULOGW-UHFFFAOYSA-N 1 1 299.349 2.741 20 30 CFEDMO COCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(F)cn1 ZINC000276404285 193317218 /nfs/dbraw/zinc/31/72/18/193317218.db2.gz UYRJLXGFSULOGW-UHFFFAOYSA-N 1 1 299.349 2.741 20 30 CFEDMO C=CCCN(C)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000276432295 193328442 /nfs/dbraw/zinc/32/84/42/193328442.db2.gz RTMWFVFVHNGRTH-UHFFFAOYSA-N 1 1 289.423 2.856 20 30 CFEDMO C=CCC[N@@H+](C)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000276511586 193363532 /nfs/dbraw/zinc/36/35/32/193363532.db2.gz XQEMRWSZQYHGOH-ZDUSSCGKSA-N 1 1 256.353 2.836 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000276511586 193363534 /nfs/dbraw/zinc/36/35/34/193363534.db2.gz XQEMRWSZQYHGOH-ZDUSSCGKSA-N 1 1 256.353 2.836 20 30 CFEDMO C=CCC[N@H+](C)Cc1cc(=O)oc2c(C)c(O)ccc12 ZINC000276519354 193364783 /nfs/dbraw/zinc/36/47/83/193364783.db2.gz YRNRTVUFWNOOQI-UHFFFAOYSA-N 1 1 273.332 2.815 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)C ZINC000276468737 193343833 /nfs/dbraw/zinc/34/38/33/193343833.db2.gz RGSQAOGPTCIRKG-UHFFFAOYSA-N 1 1 274.408 2.932 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000276491172 193353963 /nfs/dbraw/zinc/35/39/63/193353963.db2.gz UWSPMQYAFVGWNJ-JTQLQIEISA-N 1 1 268.307 2.800 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OCC)cc1 ZINC000276520955 193366319 /nfs/dbraw/zinc/36/63/19/193366319.db2.gz YSJDPVUHEQSKIS-ZDUSSCGKSA-N 1 1 276.380 2.920 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)c(OC)c1 ZINC000276527797 193368315 /nfs/dbraw/zinc/36/83/15/193368315.db2.gz ZOICWPKQKUHPHC-LBPRGKRZSA-N 1 1 292.379 2.539 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+](C)Cc1ccccc1Br ZINC000677046966 541813147 /nfs/dbraw/zinc/81/31/47/541813147.db2.gz MIVLRUWQVYEVCW-ZDUSSCGKSA-N 1 1 284.197 2.818 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccccc1Br ZINC000677046966 541813150 /nfs/dbraw/zinc/81/31/50/541813150.db2.gz MIVLRUWQVYEVCW-ZDUSSCGKSA-N 1 1 284.197 2.818 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000677047089 541813252 /nfs/dbraw/zinc/81/32/52/541813252.db2.gz RKDGAGKXDKRFDD-ZDUSSCGKSA-N 1 1 271.307 2.657 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000677047815 541813636 /nfs/dbraw/zinc/81/36/36/541813636.db2.gz IAPHTYZADUIOHZ-IAGOWNOFSA-N 1 1 259.393 2.977 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000677048279 541813873 /nfs/dbraw/zinc/81/38/73/541813873.db2.gz TXPYXZCDQGKUBT-XPKDYRNWSA-N 1 1 263.356 2.941 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+](C)CCc1ccc(Br)cc1 ZINC000677047672 541813938 /nfs/dbraw/zinc/81/39/38/541813938.db2.gz FLCTYZBAIWKPHK-AWEZNQCLSA-N 1 1 298.224 2.860 20 30 CFEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccc(Br)cc1 ZINC000677047396 541813970 /nfs/dbraw/zinc/81/39/70/541813970.db2.gz ZEGUFNAEZJOTHG-CYBMUJFWSA-N 1 1 284.197 2.818 20 30 CFEDMO CCC[N@H+](Cc1ccc(C#N)cc1)C[C@H](O)CCOCC ZINC000277438189 193653689 /nfs/dbraw/zinc/65/36/89/193653689.db2.gz GQWWVKHOWXJMDG-QGZVFWFLSA-N 1 1 290.407 2.558 20 30 CFEDMO C[N@@H+](Cc1cccc(C#N)c1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459301470 245128609 /nfs/dbraw/zinc/12/86/09/245128609.db2.gz WIPVCGMDHUNSOZ-UHFFFAOYSA-N 1 1 294.358 2.563 20 30 CFEDMO CCn1nncc1C[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000459325914 245140647 /nfs/dbraw/zinc/14/06/47/245140647.db2.gz LZUCVCGKQKLQFP-UHFFFAOYSA-N 1 1 283.379 2.580 20 30 CFEDMO CCn1nncc1C[N@@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000459325914 245140652 /nfs/dbraw/zinc/14/06/52/245140652.db2.gz LZUCVCGKQKLQFP-UHFFFAOYSA-N 1 1 283.379 2.580 20 30 CFEDMO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)c1nc2c(s1)CCC2 ZINC000459655288 245260751 /nfs/dbraw/zinc/26/07/51/245260751.db2.gz UTNILMIRXHYMDR-SNVBAGLBSA-N 1 1 286.404 2.693 20 30 CFEDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@H]32)cc1C#N ZINC000459669865 245267031 /nfs/dbraw/zinc/26/70/31/245267031.db2.gz JMPYRNIVJSZEPJ-JKSUJKDBSA-N 1 1 298.386 2.568 20 30 CFEDMO CCC#C[C@@H](C)[N@H+](C)Cc1ccc(OC)cc1OC ZINC000677477287 541864388 /nfs/dbraw/zinc/86/43/88/541864388.db2.gz XAZCNCHYLKYHNM-CYBMUJFWSA-N 1 1 261.365 2.938 20 30 CFEDMO CCC#C[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000677477287 541864390 /nfs/dbraw/zinc/86/43/90/541864390.db2.gz XAZCNCHYLKYHNM-CYBMUJFWSA-N 1 1 261.365 2.938 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccccc1OC(F)(F)F ZINC000677476251 541864193 /nfs/dbraw/zinc/86/41/93/541864193.db2.gz MYVYBQAOVVPEGR-LBPRGKRZSA-N 1 1 289.297 2.954 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+](C)Cc1ccc(SC)c(OC)c1 ZINC000677478420 541864535 /nfs/dbraw/zinc/86/45/35/541864535.db2.gz XNIQHASQVYXLEE-ZDUSSCGKSA-N 1 1 281.421 2.786 20 30 CFEDMO C[N@@H+](CCCNc1ncccc1C#N)Cc1ccccc1 ZINC000019481501 372167963 /nfs/dbraw/zinc/16/79/63/372167963.db2.gz OXCOMGZTXFCYTA-UHFFFAOYSA-N 1 1 280.375 2.887 20 30 CFEDMO C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000019846758 372200327 /nfs/dbraw/zinc/20/03/27/372200327.db2.gz CFXGEUWKDNSQMU-ZDUSSCGKSA-N 1 1 271.364 2.619 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(C#N)cc1 ZINC000019846708 372200643 /nfs/dbraw/zinc/20/06/43/372200643.db2.gz VFZUFBMTLSTDQU-ZDUSSCGKSA-N 1 1 271.364 2.761 20 30 CFEDMO CCCC[N@@H+](CC)CC(=O)Nc1cccc(C#N)c1 ZINC000019846835 372200806 /nfs/dbraw/zinc/20/08/06/372200806.db2.gz NAFVEQMCDNFZAY-UHFFFAOYSA-N 1 1 259.353 2.619 20 30 CFEDMO O=C(NCc1ncc[nH]1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000329217892 227358782 /nfs/dbraw/zinc/35/87/82/227358782.db2.gz QZTXFJCWEYELNB-CYBMUJFWSA-N 1 1 276.384 2.663 20 30 CFEDMO C[C@H](C1CC1)[N@@H+](CC(=O)Nc1ccc(C#N)cc1)C1CC1 ZINC000031653824 372414230 /nfs/dbraw/zinc/41/42/30/372414230.db2.gz HJDJOSIPEHVNDL-GFCCVEGCSA-N 1 1 283.375 2.760 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000037110132 372650749 /nfs/dbraw/zinc/65/07/49/372650749.db2.gz NPBODUZPYKBAMA-GFCCVEGCSA-N 1 1 259.353 2.617 20 30 CFEDMO CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000037113077 372650909 /nfs/dbraw/zinc/65/09/09/372650909.db2.gz VKQZMGYYDWHNPV-GFCCVEGCSA-N 1 1 259.353 2.617 20 30 CFEDMO C[C@H](C[NH+]1CCCCC1)NCc1ccc(C#N)cc1 ZINC000037153544 372656906 /nfs/dbraw/zinc/65/69/06/372656906.db2.gz QCEREFORVVXABN-CQSZACIVSA-N 1 1 257.381 2.522 20 30 CFEDMO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000037644417 372680507 /nfs/dbraw/zinc/68/05/07/372680507.db2.gz YANBGHFCZOMOFL-LSDHHAIUSA-N 1 1 287.407 2.581 20 30 CFEDMO CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(OCC#N)cc2)C1 ZINC000037644417 372680512 /nfs/dbraw/zinc/68/05/12/372680512.db2.gz YANBGHFCZOMOFL-LSDHHAIUSA-N 1 1 287.407 2.581 20 30 CFEDMO C[C@H](NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000037649450 372684301 /nfs/dbraw/zinc/68/43/01/372684301.db2.gz RVDCYLLTWGEOAL-DZGCQCFKSA-N 1 1 269.392 2.693 20 30 CFEDMO C[C@H](NC[C@H]1CC[N@H+](C2CC2)C1)c1cccc(C#N)c1 ZINC000037649450 372684308 /nfs/dbraw/zinc/68/43/08/372684308.db2.gz RVDCYLLTWGEOAL-DZGCQCFKSA-N 1 1 269.392 2.693 20 30 CFEDMO C[C@H]([NH2+]C[C@H]1CCN(C2CC2)C1)c1cccc(C#N)c1 ZINC000037649450 372684317 /nfs/dbraw/zinc/68/43/17/372684317.db2.gz RVDCYLLTWGEOAL-DZGCQCFKSA-N 1 1 269.392 2.693 20 30 CFEDMO C[C@H](NCC[NH+]1CCC(C)CC1)c1cccc(C#N)c1 ZINC000040772155 372787307 /nfs/dbraw/zinc/78/73/07/372787307.db2.gz IMXPOWNVYAQESD-HNNXBMFYSA-N 1 1 271.408 2.941 20 30 CFEDMO C[C@@H](C(=O)N1CCCCCC1)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000046528532 373056633 /nfs/dbraw/zinc/05/66/33/373056633.db2.gz GFPOBBVZJWQHHB-HNNXBMFYSA-N 1 1 299.418 2.781 20 30 CFEDMO C[C@@H](C(=O)N1CCCCCC1)[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000046528532 373056637 /nfs/dbraw/zinc/05/66/37/373056637.db2.gz GFPOBBVZJWQHHB-HNNXBMFYSA-N 1 1 299.418 2.781 20 30 CFEDMO C=CCNC(=O)C[N@@H+](Cc1ccccc1)[C@H](C)CC ZINC000046171405 373044754 /nfs/dbraw/zinc/04/47/54/373044754.db2.gz XOCCUCPRQASZDQ-CQSZACIVSA-N 1 1 260.381 2.589 20 30 CFEDMO CCC(C#N)(CC)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000529219471 383688627 /nfs/dbraw/zinc/68/86/27/383688627.db2.gz YJFVOBVFJHJXDB-ZDUSSCGKSA-N 1 1 279.428 2.553 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCCO1 ZINC000048554508 373198987 /nfs/dbraw/zinc/19/89/87/373198987.db2.gz QHIOYZWFWVAHFV-AWEZNQCLSA-N 1 1 262.328 2.698 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCCCO1 ZINC000048554508 373198994 /nfs/dbraw/zinc/19/89/94/373198994.db2.gz QHIOYZWFWVAHFV-AWEZNQCLSA-N 1 1 262.328 2.698 20 30 CFEDMO CC[N@@H+](CC(=O)N[C@](C)(C#N)C(C)C)C1CCCCC1 ZINC000049067335 373260134 /nfs/dbraw/zinc/26/01/34/373260134.db2.gz GXPZXRBHWVKJDA-MRXNPFEDSA-N 1 1 279.428 2.695 20 30 CFEDMO CCc1nc(C[NH2+]Cc2cccc(C#N)c2)cs1 ZINC000050285627 373368426 /nfs/dbraw/zinc/36/84/26/373368426.db2.gz GSDPOEHDUIPBEV-UHFFFAOYSA-N 1 1 257.362 2.867 20 30 CFEDMO CCn1ccnc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000051922136 373417099 /nfs/dbraw/zinc/41/70/99/373417099.db2.gz LOZYLVOAVQCOOP-GFCCVEGCSA-N 1 1 254.337 2.625 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)Cc1ccoc1C ZINC000055057786 373535750 /nfs/dbraw/zinc/53/57/50/373535750.db2.gz YCXSYBCUDRPYOD-ZDUSSCGKSA-N 1 1 276.380 2.609 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)Cc1ccoc1C ZINC000055057786 373535755 /nfs/dbraw/zinc/53/57/55/373535755.db2.gz YCXSYBCUDRPYOD-ZDUSSCGKSA-N 1 1 276.380 2.609 20 30 CFEDMO COc1cc(C[NH+]2CC(C)(C)OC(C)(C)C2)ccc1C#N ZINC000234959473 220228616 /nfs/dbraw/zinc/22/86/16/220228616.db2.gz SCMBCILDLZWOTR-UHFFFAOYSA-N 1 1 288.391 2.956 20 30 CFEDMO N#Cc1ccc(Cl)cc1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000061981098 373740674 /nfs/dbraw/zinc/74/06/74/373740674.db2.gz WXWFOVVOJORIKI-LBPRGKRZSA-N 1 1 261.756 2.860 20 30 CFEDMO C[C@@H](CN[C@@H](C)c1cccc(C#N)c1)C[NH+]1CCCC1 ZINC000062078850 373747087 /nfs/dbraw/zinc/74/70/87/373747087.db2.gz VPVJSOIRCZUWAA-GJZGRUSLSA-N 1 1 271.408 2.941 20 30 CFEDMO C=CCOc1cccc(NC(=O)C[N@H+](C)C(C)C)c1 ZINC000063583166 373809526 /nfs/dbraw/zinc/80/95/26/373809526.db2.gz QXFHVTLKCXUDCZ-UHFFFAOYSA-N 1 1 262.353 2.530 20 30 CFEDMO CC1(C)CCC[N@H+]1CCC(=O)Nc1ccccc1C#N ZINC000063063652 373785121 /nfs/dbraw/zinc/78/51/21/373785121.db2.gz NLJVWDALINZJEE-UHFFFAOYSA-N 1 1 271.364 2.761 20 30 CFEDMO C=CCOc1ccc(C(=O)NCC[N@H+](C)[C@@H](C)CC)cc1 ZINC000066126179 373911893 /nfs/dbraw/zinc/91/18/93/373911893.db2.gz NJRFGMFDAOGTJJ-AWEZNQCLSA-N 1 1 290.407 2.712 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)CC(=O)NCC1CCC1 ZINC000066496860 373934616 /nfs/dbraw/zinc/93/46/16/373934616.db2.gz ZKKOVPKJIMIWQF-UHFFFAOYSA-N 1 1 286.419 2.633 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)CC(=O)NCC1CCC1 ZINC000066496860 373934619 /nfs/dbraw/zinc/93/46/19/373934619.db2.gz ZKKOVPKJIMIWQF-UHFFFAOYSA-N 1 1 286.419 2.633 20 30 CFEDMO N#CCNC(=O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000066496581 373935372 /nfs/dbraw/zinc/93/53/72/373935372.db2.gz XCCAFAFOSRUCCK-QGZVFWFLSA-N 1 1 293.370 2.616 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC[C@H](c3ccccc3)C2)ccn1 ZINC000068766610 374038949 /nfs/dbraw/zinc/03/89/49/374038949.db2.gz KVMLEOISXXYXBV-INIZCTEOSA-N 1 1 263.344 2.943 20 30 CFEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000289499282 197378118 /nfs/dbraw/zinc/37/81/18/197378118.db2.gz SPZNLGIKSFRRAS-LBPRGKRZSA-N 1 1 290.363 2.705 20 30 CFEDMO CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)o2)C1 ZINC000289499282 197378120 /nfs/dbraw/zinc/37/81/20/197378120.db2.gz SPZNLGIKSFRRAS-LBPRGKRZSA-N 1 1 290.363 2.705 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000070853659 374202676 /nfs/dbraw/zinc/20/26/76/374202676.db2.gz WIJJJUGAIFPLOY-ZZFFKQLHSA-N 1 1 290.451 2.825 20 30 CFEDMO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+]1CCC[C@@H]1C ZINC000072874173 374293723 /nfs/dbraw/zinc/29/37/23/374293723.db2.gz 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/nfs/dbraw/zinc/73/65/08/383736508.db2.gz OQNJYWNZNBBYAA-ZACQAIPSSA-N 1 1 299.418 2.979 20 30 CFEDMO C[C@@H]1[N@@H+](Cc2ccccc2C#N)CCC12CCOCC2 ZINC000335467980 379350239 /nfs/dbraw/zinc/35/02/39/379350239.db2.gz PIUWEYANFLYMBA-AWEZNQCLSA-N 1 1 270.376 2.949 20 30 CFEDMO Cc1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)on1 ZINC000171610153 379352794 /nfs/dbraw/zinc/35/27/94/379352794.db2.gz AULBHGJLVYNVDI-UHFFFAOYSA-N 1 1 297.358 2.898 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000334501223 379401500 /nfs/dbraw/zinc/40/15/00/379401500.db2.gz VMWKBUPYPGCJKG-UHFFFAOYSA-N 1 1 256.349 2.561 20 30 CFEDMO CC(C)Cc1ccc(-c2csc(NC(N)=[NH2+])n2)cc1 ZINC000048640319 412913558 /nfs/dbraw/zinc/91/35/58/412913558.db2.gz NZIMWGIIUXDXCZ-UHFFFAOYSA-N 1 1 274.393 2.914 20 30 CFEDMO CC[C@H](C)C[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000171952537 379450772 /nfs/dbraw/zinc/45/07/72/379450772.db2.gz RXVAVPACDJVCJH-JTQLQIEISA-N 1 1 265.382 2.536 20 30 CFEDMO C=CCCC[N@H+](C)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000172324607 379543532 /nfs/dbraw/zinc/54/35/32/379543532.db2.gz YGMOJVWIUMWXAT-HNNXBMFYSA-N 1 1 260.381 2.714 20 30 CFEDMO C=C1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000264430980 383737814 /nfs/dbraw/zinc/73/78/14/383737814.db2.gz CKMZXMZNJUMACQ-AWEZNQCLSA-N 1 1 270.376 2.616 20 30 CFEDMO Cc1ncsc1CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000172526367 379590493 /nfs/dbraw/zinc/59/04/93/379590493.db2.gz KPAQSRBMAYXEIU-UHFFFAOYSA-N 1 1 271.389 2.998 20 30 CFEDMO N#C[C@H]1CCC[C@H]([NH2+]C2CC(N3CCCCC3)C2)C1 ZINC000334614499 379628816 /nfs/dbraw/zinc/62/88/16/379628816.db2.gz RGSTYBVOHGYYLD-FXQLRMTLSA-N 1 1 261.413 2.675 20 30 CFEDMO N#C[C@H]1CCC[C@H](NC2CC([NH+]3CCCCC3)C2)C1 ZINC000334614499 379628818 /nfs/dbraw/zinc/62/88/18/379628818.db2.gz RGSTYBVOHGYYLD-FXQLRMTLSA-N 1 1 261.413 2.675 20 30 CFEDMO C[N@@H+](CCSc1nccnc1C#N)Cc1ccccc1 ZINC000279003370 194247525 /nfs/dbraw/zinc/24/75/25/194247525.db2.gz GBDLLEMNNDBWDB-UHFFFAOYSA-N 1 1 284.388 2.572 20 30 CFEDMO N#Cc1ccc(F)c(C[N@@H+]2CCOCC3(CCC3)C2)c1 ZINC000335660136 379676626 /nfs/dbraw/zinc/67/66/26/379676626.db2.gz HEPQFSGSVXFTED-UHFFFAOYSA-N 1 1 274.339 2.700 20 30 CFEDMO N#Cc1ccc(F)c(C[N@H+]2CCOCC3(CCC3)C2)c1 ZINC000335660136 379676638 /nfs/dbraw/zinc/67/66/38/379676638.db2.gz HEPQFSGSVXFTED-UHFFFAOYSA-N 1 1 274.339 2.700 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)c1 ZINC000334637559 379679581 /nfs/dbraw/zinc/67/95/81/379679581.db2.gz XBAUFDGYJNSYPM-KRWDZBQOSA-N 1 1 297.402 2.535 20 30 CFEDMO CC#CCC[N@H+]1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC000334637605 379680228 /nfs/dbraw/zinc/68/02/28/379680228.db2.gz IUWSIFUQDWLTDK-QGZVFWFLSA-N 1 1 269.344 2.510 20 30 CFEDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000335692052 379730227 /nfs/dbraw/zinc/73/02/27/379730227.db2.gz XCNFKHSDRKDCMD-HNNXBMFYSA-N 1 1 298.365 2.810 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[NH2+]C(C)(C)c1nc(C)cs1 ZINC000173432602 379739288 /nfs/dbraw/zinc/73/92/88/379739288.db2.gz PUQZNUWKLWUDLU-UHFFFAOYSA-N 1 1 295.452 2.701 20 30 CFEDMO Cc1cc(C[NH+]2CCC(O)(C(F)(F)F)CC2)ccc1C#N ZINC000335716800 379775153 /nfs/dbraw/zinc/77/51/53/379775153.db2.gz ACPASXXMZQJZNO-UHFFFAOYSA-N 1 1 298.308 2.756 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)C[C@@H]1CCCOC1 ZINC000174141632 379833636 /nfs/dbraw/zinc/83/36/36/379833636.db2.gz GVSOINGIBBKNKG-HIFRSBDPSA-N 1 1 258.365 2.978 20 30 CFEDMO C=CC[NH+]1CCN(Cc2csc([C@H](C)OCC)n2)CC1 ZINC000174000171 379812546 /nfs/dbraw/zinc/81/25/46/379812546.db2.gz VTRPFRHBOBFBDQ-ZDUSSCGKSA-N 1 1 295.452 2.544 20 30 CFEDMO C=C1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000264455443 383740968 /nfs/dbraw/zinc/74/09/68/383740968.db2.gz IZLZQQKPQODGRE-AWEZNQCLSA-N 1 1 290.382 2.997 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cnccn1 ZINC000174650787 379923664 /nfs/dbraw/zinc/92/36/64/379923664.db2.gz NUAWOYVWUXUNKV-GFCCVEGCSA-N 1 1 252.321 2.541 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)Cc1cnccn1 ZINC000174650787 379923668 /nfs/dbraw/zinc/92/36/68/379923668.db2.gz NUAWOYVWUXUNKV-GFCCVEGCSA-N 1 1 252.321 2.541 20 30 CFEDMO Cc1cccn2c(C[NH2+]Cc3ccc(C#N)cc3F)cnc12 ZINC000174360061 379870934 /nfs/dbraw/zinc/87/09/34/379870934.db2.gz RLVBFFIXXFBMGG-UHFFFAOYSA-N 1 1 294.333 2.943 20 30 CFEDMO CC[C@H]1CCCC[N@H+]1CCNCc1ccc(C#N)o1 ZINC000174386438 379874868 /nfs/dbraw/zinc/87/48/68/379874868.db2.gz CXSHVUGBRLIWKH-ZDUSSCGKSA-N 1 1 261.369 2.505 20 30 CFEDMO CC[C@H]1CCCCN1CC[NH2+]Cc1ccc(C#N)o1 ZINC000174386438 379874874 /nfs/dbraw/zinc/87/48/74/379874874.db2.gz CXSHVUGBRLIWKH-ZDUSSCGKSA-N 1 1 261.369 2.505 20 30 CFEDMO N#Cc1cc(F)ccc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000335856389 380001917 /nfs/dbraw/zinc/00/19/17/380001917.db2.gz QZJIENFJXDYLGA-KGLIPLIRSA-N 1 1 274.339 2.556 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C)s1 ZINC000175250922 380029139 /nfs/dbraw/zinc/02/91/39/380029139.db2.gz DGSXTFVELBXQNE-OLZOCXBDSA-N 1 1 295.452 2.915 20 30 CFEDMO C=CCCCCC[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000175256514 380029710 /nfs/dbraw/zinc/02/97/10/380029710.db2.gz VQFWDLOSQCXDKY-LBPRGKRZSA-N 1 1 267.373 2.955 20 30 CFEDMO C=CCCCCC[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000175256514 380029716 /nfs/dbraw/zinc/02/97/16/380029716.db2.gz VQFWDLOSQCXDKY-LBPRGKRZSA-N 1 1 267.373 2.955 20 30 CFEDMO N#Cc1csc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000335888936 380056181 /nfs/dbraw/zinc/05/61/81/380056181.db2.gz ASDJAEIDIBVGGB-KGLIPLIRSA-N 1 1 262.378 2.763 20 30 CFEDMO CCC[N@@H+](CC)CCNC(=O)Nc1ccc(F)c(C#N)c1 ZINC000175829315 380138103 /nfs/dbraw/zinc/13/81/03/380138103.db2.gz BVRPDHAUPBNCLP-UHFFFAOYSA-N 1 1 292.358 2.551 20 30 CFEDMO C=CCCCC[N@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000571971255 383743028 /nfs/dbraw/zinc/74/30/28/383743028.db2.gz PQFPCISVBKVEIG-HNNXBMFYSA-N 1 1 271.364 2.763 20 30 CFEDMO N#Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000289439229 197348176 /nfs/dbraw/zinc/34/81/76/197348176.db2.gz OHHCFUVTPXRDFA-HNNXBMFYSA-N 1 1 283.375 2.619 20 30 CFEDMO COC(=O)[C@H]1CCC[N@@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177105893 380305388 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N#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000336543281 380442783 /nfs/dbraw/zinc/44/27/83/380442783.db2.gz QKJVZYIQALQKLN-UKRRQHHQSA-N 1 1 288.366 2.946 20 30 CFEDMO N#Cc1ccc(OCCC[N@H+]2CCOCC23CCC3)cc1 ZINC000178479457 380456557 /nfs/dbraw/zinc/45/65/57/380456557.db2.gz BSACQEBBSVNYCE-UHFFFAOYSA-N 1 1 286.375 2.582 20 30 CFEDMO C=C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000336581647 380501383 /nfs/dbraw/zinc/50/13/83/380501383.db2.gz ONIFWLKDKRTQPU-OAHLLOKOSA-N 1 1 262.397 2.572 20 30 CFEDMO C=CCn1cccc1C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000336599151 380525992 /nfs/dbraw/zinc/52/59/92/380525992.db2.gz HPLVVBWOCNSPFA-UHFFFAOYSA-N 1 1 295.386 2.766 20 30 CFEDMO C=CCn1cccc1C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000336599151 380525999 /nfs/dbraw/zinc/52/59/99/380525999.db2.gz HPLVVBWOCNSPFA-UHFFFAOYSA-N 1 1 295.386 2.766 20 30 CFEDMO Cc1cc(C[N@H+]2CCC[C@@](C)(O)CC2)ccc1C#N ZINC000336608164 380540353 /nfs/dbraw/zinc/54/03/53/380540353.db2.gz QCXSUDCQVBTRMX-MRXNPFEDSA-N 1 1 258.365 2.604 20 30 CFEDMO C[C@H]1C[C@@H](N(C)Cc2cccc(C#N)c2F)CC[N@H+]1C ZINC000336615453 380552494 /nfs/dbraw/zinc/55/24/94/380552494.db2.gz MYVWUSRDIZKDIT-WFASDCNBSA-N 1 1 275.371 2.612 20 30 CFEDMO C[C@H]1C[C@H](N(C)Cc2cccc(C#N)c2F)CC[N@H+]1C ZINC000336615451 380552772 /nfs/dbraw/zinc/55/27/72/380552772.db2.gz MYVWUSRDIZKDIT-SWLSCSKDSA-N 1 1 275.371 2.612 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc2nccn21 ZINC000179682970 380572631 /nfs/dbraw/zinc/57/26/31/380572631.db2.gz NPVDSYRLAHRJOJ-UHFFFAOYSA-N 1 1 276.343 2.838 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)o1 ZINC000336630113 380576230 /nfs/dbraw/zinc/57/62/30/380576230.db2.gz QOARKVTXKSCYIZ-HNNXBMFYSA-N 1 1 272.348 2.542 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1Cl)[C@@H]1CCC[C@H]1O ZINC000336631937 380579657 /nfs/dbraw/zinc/57/96/57/380579657.db2.gz SLXHEHODPNBLTI-ZIAGYGMSSA-N 1 1 264.756 2.557 20 30 CFEDMO CC[N@@H+](CC1(C)COC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336799284 380648315 /nfs/dbraw/zinc/64/83/15/380648315.db2.gz ICDJPLSJQFISOC-ZDUSSCGKSA-N 1 1 258.365 2.978 20 30 CFEDMO CC(C)[N@@H+](CCC[C@@H](C)O)Cc1ccc(C#N)cc1 ZINC000336815559 380676204 /nfs/dbraw/zinc/67/62/04/380676204.db2.gz IABKVKBYFPCWLJ-CQSZACIVSA-N 1 1 260.381 2.930 20 30 CFEDMO C=C1CC[NH+]([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000264500059 383748109 /nfs/dbraw/zinc/74/81/09/383748109.db2.gz VIMBSMHTMMXUKO-ZDUSSCGKSA-N 1 1 290.432 2.673 20 30 CFEDMO Cc1ccc(C[N@@H+](CCO)Cc2cc(C#N)cs2)cc1 ZINC000180847654 380705317 /nfs/dbraw/zinc/70/53/17/380705317.db2.gz BCVHAJVHOYJSPX-UHFFFAOYSA-N 1 1 286.400 2.923 20 30 CFEDMO Cc1noc(CCC[N@@H+](CCC#N)CC(C)(C)C)n1 ZINC000336801492 380652732 /nfs/dbraw/zinc/65/27/32/380652732.db2.gz QHOBTFJORBXJSX-UHFFFAOYSA-N 1 1 264.373 2.572 20 30 CFEDMO C=CCC(C)(C)CNC(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000432577240 383749251 /nfs/dbraw/zinc/74/92/51/383749251.db2.gz YHVVHVNRJPBBQM-KBPBESRZSA-N 1 1 281.444 2.713 20 30 CFEDMO CC[C@@H](C)[N@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000181123311 380743910 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C[N@@H+](CCC1(C#N)CCCCC1)C[C@H]1CCC[C@H]1O ZINC000411405985 381026765 /nfs/dbraw/zinc/02/67/65/381026765.db2.gz IIFWDNZMZYICHW-HUUCEWRRSA-N 1 1 264.413 2.943 20 30 CFEDMO C[C@H](O)[C@@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411497251 381028798 /nfs/dbraw/zinc/02/87/98/381028798.db2.gz OBLLOCNUCJBPIG-UONOGXRCSA-N 1 1 250.386 2.553 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000347250423 381028990 /nfs/dbraw/zinc/02/89/90/381028990.db2.gz NVOZRMGXIQVCDX-HOTGVXAUSA-N 1 1 286.375 2.568 20 30 CFEDMO C[C@@H](C#N)C[N@H+](Cc1cccc(-n2cccn2)c1)C1CC1 ZINC000354026610 381029791 /nfs/dbraw/zinc/02/97/91/381029791.db2.gz WPBJTUPROIQBRL-AWEZNQCLSA-N 1 1 280.375 2.996 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](Cc1cccc(-n2cccn2)c1)C1CC1 ZINC000354026610 381029797 /nfs/dbraw/zinc/02/97/97/381029797.db2.gz WPBJTUPROIQBRL-AWEZNQCLSA-N 1 1 280.375 2.996 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000411508297 381029879 /nfs/dbraw/zinc/02/98/79/381029879.db2.gz 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N#Cc1cc(F)ccc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000369249651 381221916 /nfs/dbraw/zinc/22/19/16/381221916.db2.gz JAXNHTWNBYSAGE-UHFFFAOYSA-N 1 1 284.338 2.800 20 30 CFEDMO N#Cc1cc(Cl)ccc1C[NH+]1CCC2(CCO2)CC1 ZINC000369326948 381237464 /nfs/dbraw/zinc/23/74/64/381237464.db2.gz MSAYEMHMXAPUSC-UHFFFAOYSA-N 1 1 276.767 2.967 20 30 CFEDMO C[C@@H]1CN(Cc2ccc(C#N)cc2F)CC[N@H+](C2CC2)C1 ZINC000296082262 381247928 /nfs/dbraw/zinc/24/79/28/381247928.db2.gz QPXPFFOGIDIUHH-CYBMUJFWSA-N 1 1 287.382 2.613 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(CC#N)c2)C[C@@H]1C ZINC000354410221 381248327 /nfs/dbraw/zinc/24/83/27/381248327.db2.gz YQBREAWCSUUMLI-WMLDXEAASA-N 1 1 299.418 2.697 20 30 CFEDMO C[C@@H](C#N)CN(C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000342424822 381326066 /nfs/dbraw/zinc/32/60/66/381326066.db2.gz NEEQGGFRVLNLQL-DOTOQJQBSA-N 1 1 299.418 2.659 20 30 CFEDMO C[C@@H](C[N@@H+](C)CCCSCC#N)c1nccs1 ZINC000183922541 381340947 /nfs/dbraw/zinc/34/09/47/381340947.db2.gz MKJNYWSPVGAJSP-NSHDSACASA-N 1 1 269.439 2.825 20 30 CFEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C[C@@H]1O ZINC000347780424 381345383 /nfs/dbraw/zinc/34/53/83/381345383.db2.gz GRXBMSFEPWMAMC-CABCVRRESA-N 1 1 290.382 2.926 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1nc(C(C)(C)C)cs1 ZINC000184447883 381417453 /nfs/dbraw/zinc/41/74/53/381417453.db2.gz WSGSZZYLYJPSIS-MNOVXSKESA-N 1 1 295.452 2.782 20 30 CFEDMO CC(C)C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000354684018 381402302 /nfs/dbraw/zinc/40/23/02/381402302.db2.gz MSXWZMNALCQKJI-KRWDZBQOSA-N 1 1 299.418 2.685 20 30 CFEDMO COc1ccc(C#N)cc1C[N@@H+](C)CC[C@H]1CCCO1 ZINC000342594849 381422917 /nfs/dbraw/zinc/42/29/17/381422917.db2.gz GDWYHBUHUZJOGB-OAHLLOKOSA-N 1 1 274.364 2.568 20 30 CFEDMO C#Cc1cccc(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000296524999 381433717 /nfs/dbraw/zinc/43/37/17/381433717.db2.gz ZWRGDAPEHORZCZ-GOSISDBHSA-N 1 1 297.402 2.618 20 30 CFEDMO CCN1CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H](C)C1 ZINC000348235505 381474899 /nfs/dbraw/zinc/47/48/99/381474899.db2.gz ZUHNGGYKNMSVQT-KBPBESRZSA-N 1 1 251.418 2.636 20 30 CFEDMO N#Cc1cccc(C[NH2+][C@@H](CO)c2cccc(F)c2)c1F ZINC000359527241 381452101 /nfs/dbraw/zinc/45/21/01/381452101.db2.gz DXHTVVHCHINNIL-HNNXBMFYSA-N 1 1 288.297 2.660 20 30 CFEDMO C=CCOCCC[N@H+](CC)CCc1nccs1 ZINC000348044300 381456190 /nfs/dbraw/zinc/45/61/90/381456190.db2.gz HFBVGRGTWGPXMH-UHFFFAOYSA-N 1 1 254.399 2.600 20 30 CFEDMO C=CCOCCC[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000348055300 381458103 /nfs/dbraw/zinc/45/81/03/381458103.db2.gz POOCEQSMQAUVMQ-CQSZACIVSA-N 1 1 283.412 2.633 20 30 CFEDMO C=CCOCCC[N@H+](C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC000348057804 381458207 /nfs/dbraw/zinc/45/82/07/381458207.db2.gz PPRKQUMMCWZSGX-LSDHHAIUSA-N 1 1 267.413 2.859 20 30 CFEDMO C=CC[N@H+](Cc1cccs1)CC1CCS(=O)(=O)CC1 ZINC000348053504 381458787 /nfs/dbraw/zinc/45/87/87/381458787.db2.gz VIRUXJNMANTNHD-UHFFFAOYSA-N 1 1 299.461 2.561 20 30 CFEDMO C=CCOCCC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000348053437 381459018 /nfs/dbraw/zinc/45/90/18/381459018.db2.gz VJOIHHVSUOZJCF-QGZVFWFLSA-N 1 1 275.392 2.561 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+](Cc1ccccc1)[C@@H](CC)CO ZINC000342654317 381459666 /nfs/dbraw/zinc/45/96/66/381459666.db2.gz FWHAKLZJRQTSBB-DLBZAZTESA-N 1 1 277.408 2.587 20 30 CFEDMO C=CCOCCC[N@H+](C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000348172765 381467920 /nfs/dbraw/zinc/46/79/20/381467920.db2.gz ZBYYWGTVSUUWRC-UHFFFAOYSA-N 1 1 265.401 2.732 20 30 CFEDMO C=CC1CC[NH+](CC(=O)Nc2ccc(C)cc2F)CC1 ZINC000348187428 381469070 /nfs/dbraw/zinc/46/90/70/381469070.db2.gz PURDEOSNAAPEBH-UHFFFAOYSA-N 1 1 276.355 2.971 20 30 CFEDMO C=CCC[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000342737871 381509332 /nfs/dbraw/zinc/50/93/32/381509332.db2.gz LKHUTPZCQSFZTQ-AWEZNQCLSA-N 1 1 278.783 2.953 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000342735740 381509397 /nfs/dbraw/zinc/50/93/97/381509397.db2.gz JBUCWVNOKYAQCL-CQSZACIVSA-N 1 1 260.381 2.541 20 30 CFEDMO CC#CCCCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000185006265 381510789 /nfs/dbraw/zinc/51/07/89/381510789.db2.gz QMYFWHZURCEGSZ-UHFFFAOYSA-N 1 1 298.430 2.833 20 30 CFEDMO C=CCCCC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000342743179 381513095 /nfs/dbraw/zinc/51/30/95/381513095.db2.gz PIGXMZAVDSPYNL-UHFFFAOYSA-N 1 1 272.392 2.686 20 30 CFEDMO N#Cc1ccc(F)c(C[NH2+][C@H](CO)c2ccc(F)cc2)c1 ZINC000359622268 381513506 /nfs/dbraw/zinc/51/35/06/381513506.db2.gz AOSXOCLKSSJPRQ-MRXNPFEDSA-N 1 1 288.297 2.660 20 30 CFEDMO Cc1cc(C)c(C#N)c(N[C@H](C)C[N@@H+](C)C(C)C)n1 ZINC000290659131 381514054 /nfs/dbraw/zinc/51/40/54/381514054.db2.gz JLGRYKBUDMPTAH-CYBMUJFWSA-N 1 1 260.385 2.711 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000342716263 381495714 /nfs/dbraw/zinc/49/57/14/381495714.db2.gz BWSFWXLNJWTKIG-GFCCVEGCSA-N 1 1 296.361 2.992 20 30 CFEDMO CCN1CC[C@H]([N@H+](C)Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000342719581 381496850 /nfs/dbraw/zinc/49/68/50/381496850.db2.gz GKUJGJHUTNAXCK-YJBOKZPZSA-N 1 1 285.435 2.915 20 30 CFEDMO CCN1CC[C@H]([N@@H+](C)Cc2ccc(CC#N)cc2)[C@@H](C)C1 ZINC000342719581 381496857 /nfs/dbraw/zinc/49/68/57/381496857.db2.gz GKUJGJHUTNAXCK-YJBOKZPZSA-N 1 1 285.435 2.915 20 30 CFEDMO C=CCC[N@H+](C)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000342721448 381500571 /nfs/dbraw/zinc/50/05/71/381500571.db2.gz MAJMQVOZCBJKIK-HNNXBMFYSA-N 1 1 276.355 2.829 20 30 CFEDMO CC#CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000185053508 381524221 /nfs/dbraw/zinc/52/42/21/381524221.db2.gz AOGHWRPFHGOASK-SFHVURJKSA-N 1 1 298.430 2.961 20 30 CFEDMO C[C@H](c1cccnc1)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000342781052 381536537 /nfs/dbraw/zinc/53/65/37/381536537.db2.gz FDNKHIOGGIYKBJ-CYBMUJFWSA-N 1 1 291.358 2.794 20 30 CFEDMO C[C@H](c1cccnc1)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000342781052 381536541 /nfs/dbraw/zinc/53/65/41/381536541.db2.gz FDNKHIOGGIYKBJ-CYBMUJFWSA-N 1 1 291.358 2.794 20 30 CFEDMO C=CCOc1ccccc1C[N@H+]1CCCO[C@H](CF)C1 ZINC000414475463 381587147 /nfs/dbraw/zinc/58/71/47/381587147.db2.gz HEKBULPIDUAEMI-OAHLLOKOSA-N 1 1 279.355 2.812 20 30 CFEDMO C=CCCC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000185321683 381595142 /nfs/dbraw/zinc/59/51/42/381595142.db2.gz BGWRNJLDVYHWSC-QGZVFWFLSA-N 1 1 286.419 2.979 20 30 CFEDMO Cc1nc(N[C@H]2CC[N@H+](C(C)C)C2)c(Cl)cc1C#N ZINC000290974999 381618218 /nfs/dbraw/zinc/61/82/18/381618218.db2.gz PFLBSYZMADJAHP-LBPRGKRZSA-N 1 1 278.787 2.810 20 30 CFEDMO C=CCOc1ccccc1C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000348547053 381626272 /nfs/dbraw/zinc/62/62/72/381626272.db2.gz NZPJTJQAGUEGPH-CABCVRRESA-N 1 1 261.365 2.597 20 30 CFEDMO C[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cccnc1C#N ZINC000291046150 381645556 /nfs/dbraw/zinc/64/55/56/381645556.db2.gz DCTXERYDDWFVOP-CQSZACIVSA-N 1 1 280.375 2.886 20 30 CFEDMO N#CC1(CN2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000343164539 381664168 /nfs/dbraw/zinc/66/41/68/381664168.db2.gz WFGMCXPDJKTDBS-UHFFFAOYSA-N 1 1 275.440 2.878 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)o1 ZINC000371681946 381676474 /nfs/dbraw/zinc/67/64/74/381676474.db2.gz UWVHAYYRQUABGO-AWEZNQCLSA-N 1 1 267.332 2.611 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)o1 ZINC000371681947 381676995 /nfs/dbraw/zinc/67/69/95/381676995.db2.gz UWVHAYYRQUABGO-CQSZACIVSA-N 1 1 267.332 2.611 20 30 CFEDMO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1sccc1C#N ZINC000185616784 381683802 /nfs/dbraw/zinc/68/38/02/381683802.db2.gz FOQPKLXMZYLZSB-ZYHUDNBSSA-N 1 1 277.393 2.679 20 30 CFEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1sccc1C#N ZINC000185616784 381683807 /nfs/dbraw/zinc/68/38/07/381683807.db2.gz FOQPKLXMZYLZSB-ZYHUDNBSSA-N 1 1 277.393 2.679 20 30 CFEDMO CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1cccc(C#N)c1 ZINC000185651852 381693279 /nfs/dbraw/zinc/69/32/79/381693279.db2.gz ZEGLJEIZHVFLCB-IUODEOHRSA-N 1 1 271.364 2.617 20 30 CFEDMO C=C[C@](C)(O)CC(=O)Nc1ccc(-n2c[nH+]c(C)c2C)cc1 ZINC000291184051 381697969 /nfs/dbraw/zinc/69/79/69/381697969.db2.gz LGGDPHBVDXOYSZ-KRWDZBQOSA-N 1 1 299.374 2.755 20 30 CFEDMO C[C@@H](NCc1ccc(C#N)o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185679075 381704629 /nfs/dbraw/zinc/70/46/29/381704629.db2.gz NRLRAFQFQGAMHD-DYVFJYSZSA-N 1 1 283.375 2.932 20 30 CFEDMO CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)CC(C)(C)C ZINC000291235869 381717512 /nfs/dbraw/zinc/71/75/12/381717512.db2.gz MQXRGFNKYLNTNU-HNNXBMFYSA-N 1 1 260.381 2.960 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000291314673 381745970 /nfs/dbraw/zinc/74/59/70/381745970.db2.gz RXYQWBLJHSVDMH-HXUWFJFHSA-N 1 1 291.394 2.804 20 30 CFEDMO COC[C@H]1CCCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000372096889 381749747 /nfs/dbraw/zinc/74/97/47/381749747.db2.gz VFPAPPZNKLTCJT-HNNXBMFYSA-N 1 1 288.391 2.686 20 30 CFEDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2cnc(C#N)cn2)C1 ZINC000355319390 381750172 /nfs/dbraw/zinc/75/01/72/381750172.db2.gz RAYQOYWWTJXZTA-HIFRSBDPSA-N 1 1 293.374 2.596 20 30 CFEDMO CCC[C@H]1CCCC[N@H+]1CC(=O)N[C@@](C)(C#N)C(C)C ZINC000185856014 381757437 /nfs/dbraw/zinc/75/74/37/381757437.db2.gz GYAVNLUQTUNTKH-HOCLYGCPSA-N 1 1 279.428 2.695 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H](C)O1 ZINC000343507947 381759707 /nfs/dbraw/zinc/75/97/07/381759707.db2.gz HXXOWQHWACGGKG-CZUORRHYSA-N 1 1 258.365 2.752 20 30 CFEDMO C#CCC(C)(C)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000185762706 381726416 /nfs/dbraw/zinc/72/64/16/381726416.db2.gz CGLVHGXZYQQHJQ-MRXNPFEDSA-N 1 1 298.430 2.769 20 30 CFEDMO C#CCC(C)(C)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000185762706 381726422 /nfs/dbraw/zinc/72/64/22/381726422.db2.gz CGLVHGXZYQQHJQ-MRXNPFEDSA-N 1 1 298.430 2.769 20 30 CFEDMO CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000343548329 381787696 /nfs/dbraw/zinc/78/76/96/381787696.db2.gz IMAWXGBMEJFLFB-DLBZAZTESA-N 1 1 272.392 2.878 20 30 CFEDMO Cc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 ZINC000292058838 381789473 /nfs/dbraw/zinc/78/94/73/381789473.db2.gz BVFXDVCUTBORGE-QGZVFWFLSA-N 1 1 293.370 2.915 20 30 CFEDMO CN1CCC[C@H](C[N@H+](C)Cc2ccc(CC#N)cc2)C1 ZINC000343549726 381789760 /nfs/dbraw/zinc/78/97/60/381789760.db2.gz LBFXDINGNYBQIY-KRWDZBQOSA-N 1 1 271.408 2.526 20 30 CFEDMO CN1CCC[C@H](C[N@@H+](C)Cc2ccc(CC#N)cc2)C1 ZINC000343549726 381789766 /nfs/dbraw/zinc/78/97/66/381789766.db2.gz LBFXDINGNYBQIY-KRWDZBQOSA-N 1 1 271.408 2.526 20 30 CFEDMO CN(Cc1ccc(CC#N)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000343549726 381789769 /nfs/dbraw/zinc/78/97/69/381789769.db2.gz LBFXDINGNYBQIY-KRWDZBQOSA-N 1 1 271.408 2.526 20 30 CFEDMO CN(Cc1ccc(CC#N)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000343549726 381789770 /nfs/dbraw/zinc/78/97/70/381789770.db2.gz LBFXDINGNYBQIY-KRWDZBQOSA-N 1 1 271.408 2.526 20 30 CFEDMO CC[N@@H+](CCNC(=O)C[C@H](CC#N)c1ccccc1)C1CC1 ZINC000355634272 381789966 /nfs/dbraw/zinc/78/99/66/381789966.db2.gz KNZLJDSYRHGKJT-INIZCTEOSA-N 1 1 299.418 2.674 20 30 CFEDMO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC000343563146 381798977 /nfs/dbraw/zinc/79/89/77/381798977.db2.gz GGUGFJICWCIDLM-DZGCQCFKSA-N 1 1 252.402 2.579 20 30 CFEDMO N#CCc1ccc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000343529181 381776954 /nfs/dbraw/zinc/77/69/54/381776954.db2.gz MFLBGDWTPBMSIG-KGLIPLIRSA-N 1 1 298.308 2.640 20 30 CFEDMO CC#CCCN1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000360450528 381778970 /nfs/dbraw/zinc/77/89/70/381778970.db2.gz WIEZUEUEZIEEPE-QGZVFWFLSA-N 1 1 270.420 2.996 20 30 CFEDMO CC#CCC[N@@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000360450528 381778975 /nfs/dbraw/zinc/77/89/75/381778975.db2.gz WIEZUEUEZIEEPE-QGZVFWFLSA-N 1 1 270.420 2.996 20 30 CFEDMO CC#CCC[N@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000360450528 381778982 /nfs/dbraw/zinc/77/89/82/381778982.db2.gz WIEZUEUEZIEEPE-QGZVFWFLSA-N 1 1 270.420 2.996 20 30 CFEDMO C=CCC(CC=C)C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000361336581 381822237 /nfs/dbraw/zinc/82/22/37/381822237.db2.gz VFBCMIMOLZLXQI-BBWFWOEESA-N 1 1 288.435 2.698 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000186097487 381823411 /nfs/dbraw/zinc/82/34/11/381823411.db2.gz XEPCTXWOKJCFKD-ZWKOTPCHSA-N 1 1 289.419 2.647 20 30 CFEDMO 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ZINC000266891550 384255961 /nfs/dbraw/zinc/25/59/61/384255961.db2.gz CYWUADQXRJFFBO-UHFFFAOYSA-N 1 1 269.348 2.563 20 30 CFEDMO CC[N@H+](CCC#N)CCC(=O)Nc1ccccc1SC ZINC000266961928 384270519 /nfs/dbraw/zinc/27/05/19/384270519.db2.gz XALVAQAJGDVTMB-UHFFFAOYSA-N 1 1 291.420 2.973 20 30 CFEDMO CC[N@@H+](CCC#N)CCC(=O)Nc1ccccc1SC ZINC000266961928 384270525 /nfs/dbraw/zinc/27/05/25/384270525.db2.gz XALVAQAJGDVTMB-UHFFFAOYSA-N 1 1 291.420 2.973 20 30 CFEDMO N#Cc1ccc(CNC[C@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000277471546 384311669 /nfs/dbraw/zinc/31/16/69/384311669.db2.gz KHCDDQSUNJUTKF-MRXNPFEDSA-N 1 1 287.382 2.804 20 30 CFEDMO N#Cc1ccc(CNC[C@H]2CCCC[N@H+]2C2CC2)c(F)c1 ZINC000277471546 384311677 /nfs/dbraw/zinc/31/16/77/384311677.db2.gz KHCDDQSUNJUTKF-MRXNPFEDSA-N 1 1 287.382 2.804 20 30 CFEDMO CC[N@@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3ccccc32)C1 ZINC000267246877 384335193 /nfs/dbraw/zinc/33/51/93/384335193.db2.gz NMVXFIHVVQVAHZ-AWEZNQCLSA-N 1 1 294.402 2.884 20 30 CFEDMO CCOCC[C@@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000277619190 384355754 /nfs/dbraw/zinc/35/57/54/384355754.db2.gz GESGSZMHSWIFPB-WMLDXEAASA-N 1 1 290.407 2.729 20 30 CFEDMO C=CC[C@H]1[N@H+](CCn2ccc([N+](=O)[O-])n2)CCCC1(C)C ZINC000277652400 384366165 /nfs/dbraw/zinc/36/61/65/384366165.db2.gz DATKFJAUEMLESY-CYBMUJFWSA-N 1 1 292.383 2.858 20 30 CFEDMO CCNC(=[NH2+])NCC1(N[C@@H](C)c2ccccc2)CCCC1 ZINC000267461402 384397280 /nfs/dbraw/zinc/39/72/80/384397280.db2.gz VFITZEOBCIAHKR-AWEZNQCLSA-N 1 1 288.439 2.574 20 30 CFEDMO C=CCCC[N@@H+](C)Cc1nncn1-c1ccccc1 ZINC000277701572 384380423 /nfs/dbraw/zinc/38/04/23/384380423.db2.gz MAUNAAMHAXAZFL-UHFFFAOYSA-N 1 1 256.353 2.665 20 30 CFEDMO C=CCCC[N@H+](C)Cc1nncn1-c1ccccc1 ZINC000277701572 384380428 /nfs/dbraw/zinc/38/04/28/384380428.db2.gz MAUNAAMHAXAZFL-UHFFFAOYSA-N 1 1 256.353 2.665 20 30 CFEDMO C#CC[NH+]1CCC(c2nc([C@@H]3CCCCS3)no2)CC1 ZINC000277864466 384428097 /nfs/dbraw/zinc/42/80/97/384428097.db2.gz KAXOSPRINPVILU-ZDUSSCGKSA-N 1 1 291.420 2.840 20 30 CFEDMO C#Cc1ccccc1CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000289429636 197343001 /nfs/dbraw/zinc/34/30/01/197343001.db2.gz XKVHTDHDIXAYGL-MRXNPFEDSA-N 1 1 298.430 2.591 20 30 CFEDMO C=CCC(CC=C)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277923540 384441451 /nfs/dbraw/zinc/44/14/51/384441451.db2.gz NFOUAGSPWDPWBZ-INIZCTEOSA-N 1 1 276.424 2.888 20 30 CFEDMO Cc1sc(NC(=O)C[N@H+]2C[C@H](C)[C@H](C)C2)c(C#N)c1C ZINC000267816048 384471217 /nfs/dbraw/zinc/47/12/17/384471217.db2.gz NVEWNSUKEQKNMK-AOOOYVTPSA-N 1 1 291.420 2.763 20 30 CFEDMO Cc1sc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C)C2)c(C#N)c1C ZINC000267816048 384471224 /nfs/dbraw/zinc/47/12/24/384471224.db2.gz NVEWNSUKEQKNMK-AOOOYVTPSA-N 1 1 291.420 2.763 20 30 CFEDMO C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(C#N)o1 ZINC000289345051 197305005 /nfs/dbraw/zinc/30/50/05/197305005.db2.gz IKDKEQVPWQCXSW-UHFFFAOYSA-N 1 1 285.303 2.734 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc1F ZINC000268258520 384584065 /nfs/dbraw/zinc/58/40/65/384584065.db2.gz WRQLFFYRZYVKOY-ZDUSSCGKSA-N 1 1 284.338 2.800 20 30 CFEDMO C=CCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000279545290 384672704 /nfs/dbraw/zinc/67/27/04/384672704.db2.gz MEHRGXCKRVIEHS-HZPDHXFCSA-N 1 1 287.407 2.697 20 30 CFEDMO C=CCOc1ccc(C[N@@H+](C)CCCCCO)cc1OC ZINC000279431761 384635369 /nfs/dbraw/zinc/63/53/69/384635369.db2.gz ODSXQBXZTHKCRL-UHFFFAOYSA-N 1 1 293.407 2.854 20 30 CFEDMO N#CCCCC[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000268701518 384649957 /nfs/dbraw/zinc/64/99/57/384649957.db2.gz RJFJXXJEVRDILI-IAGOWNOFSA-N 1 1 288.391 2.505 20 30 CFEDMO CC(C)(C#N)c1ccccc1C[N@H+]1CCCC[C@H]1CO ZINC000269009746 384710057 /nfs/dbraw/zinc/71/00/57/384710057.db2.gz UGFOWDLGPLWQOR-HNNXBMFYSA-N 1 1 272.392 2.835 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cccc(C)c2)n1 ZINC000279704136 384728851 /nfs/dbraw/zinc/72/88/51/384728851.db2.gz JKIDGXQNVIYOTG-UHFFFAOYSA-N 1 1 267.376 2.847 20 30 CFEDMO C#CCn1ccc(C[N@H+](CC)Cc2cccc(C)c2)n1 ZINC000279704136 384728858 /nfs/dbraw/zinc/72/88/58/384728858.db2.gz JKIDGXQNVIYOTG-UHFFFAOYSA-N 1 1 267.376 2.847 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000269657248 384823577 /nfs/dbraw/zinc/82/35/77/384823577.db2.gz VQUMSFFQFVIYBO-UHFFFAOYSA-N 1 1 294.782 2.795 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1F)[C@@H](CO)C(C)(C)C ZINC000269695044 384839105 /nfs/dbraw/zinc/83/91/05/384839105.db2.gz XGPIPHNDYZPDOG-AWEZNQCLSA-N 1 1 264.344 2.536 20 30 CFEDMO N#Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c1 ZINC000269740740 384859630 /nfs/dbraw/zinc/85/96/30/384859630.db2.gz WZVQRSIUYHPIMV-QGZVFWFLSA-N 1 1 297.402 2.581 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289270984 197281363 /nfs/dbraw/zinc/28/13/63/197281363.db2.gz FCJRKZFDHPLNGN-JKSUJKDBSA-N 1 1 260.381 2.588 20 30 CFEDMO Cc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)ncn1 ZINC000270143357 384991281 /nfs/dbraw/zinc/99/12/81/384991281.db2.gz RXBLOKBMRPMKSK-LBPRGKRZSA-N 1 1 252.321 2.508 20 30 CFEDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)s1 ZINC000289266638 197279292 /nfs/dbraw/zinc/27/92/92/197279292.db2.gz GAMXPRHKCPULPM-LBPRGKRZSA-N 1 1 291.420 2.500 20 30 CFEDMO C#CCOc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000289258337 197277647 /nfs/dbraw/zinc/27/76/47/197277647.db2.gz FOBAKZOHIGMMPZ-JWTNVVGKSA-N 1 1 298.430 2.756 20 30 CFEDMO C#CCOc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000289258337 197277648 /nfs/dbraw/zinc/27/76/48/197277648.db2.gz FOBAKZOHIGMMPZ-JWTNVVGKSA-N 1 1 298.430 2.756 20 30 CFEDMO CO[C@]1(C)CCC[N@@H+](CCOc2cccc(C#N)c2)CC1 ZINC000280613545 385083651 /nfs/dbraw/zinc/08/36/51/385083651.db2.gz WATBBLGALLWLDM-QGZVFWFLSA-N 1 1 288.391 2.828 20 30 CFEDMO C=C(C)C[N@@H+](C)Cc1c(OC)cc(F)cc1OC ZINC000638910846 385026532 /nfs/dbraw/zinc/02/65/32/385026532.db2.gz VRMIVSCQAOLLEP-UHFFFAOYSA-N 1 1 253.317 2.851 20 30 CFEDMO C=C(C)C[N@H+](C)Cc1c(OC)cc(F)cc1OC ZINC000638910846 385026538 /nfs/dbraw/zinc/02/65/38/385026538.db2.gz VRMIVSCQAOLLEP-UHFFFAOYSA-N 1 1 253.317 2.851 20 30 CFEDMO C=CCOCC[N@@H+]1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000645089889 385181302 /nfs/dbraw/zinc/18/13/02/385181302.db2.gz WCCLKOASIVFXTH-DTORHVGOSA-N 1 1 291.235 2.862 20 30 CFEDMO C=CCOCC[N@@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000645090150 385181743 /nfs/dbraw/zinc/18/17/43/385181743.db2.gz CJWYDLMHMMHTJY-KRWDZBQOSA-N 1 1 288.435 2.785 20 30 CFEDMO C=CCOCCN1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000645090150 385181749 /nfs/dbraw/zinc/18/17/49/385181749.db2.gz CJWYDLMHMMHTJY-KRWDZBQOSA-N 1 1 288.435 2.785 20 30 CFEDMO C=CCOCCN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000645090150 385181756 /nfs/dbraw/zinc/18/17/56/385181756.db2.gz CJWYDLMHMMHTJY-KRWDZBQOSA-N 1 1 288.435 2.785 20 30 CFEDMO C=CCN1CC[C@@H](Nc2ccc([NH+]3CCCCC3)cc2)C1=O ZINC000281230968 385187203 /nfs/dbraw/zinc/18/72/03/385187203.db2.gz OYUIOXINAJVHBC-QGZVFWFLSA-N 1 1 299.418 2.876 20 30 CFEDMO C#CCCOc1ccc(C[NH2+][C@@H](C)c2nnc(CC)[nH]2)cc1 ZINC000270549997 385142870 /nfs/dbraw/zinc/14/28/70/385142870.db2.gz BBLQZDHGKLDNBI-ZDUSSCGKSA-N 1 1 298.390 2.620 20 30 CFEDMO C=C(C)[C@H]1OCC[C@H]1CNc1cc[nH+]cc1C(=O)OCC ZINC000280835777 385172427 /nfs/dbraw/zinc/17/24/27/385172427.db2.gz WUWAAQLWNBSJRN-SWLSCSKDSA-N 1 1 290.363 2.651 20 30 CFEDMO CO[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)[C@H](C)C1 ZINC000281691257 385201132 /nfs/dbraw/zinc/20/11/32/385201132.db2.gz NALSYKHAXPOLNM-CZUORRHYSA-N 1 1 261.340 2.677 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(F)cc2)C1=O ZINC000282101640 385212179 /nfs/dbraw/zinc/21/21/79/385212179.db2.gz WDHULNAEOFGIBI-CVEARBPZSA-N 1 1 288.366 2.750 20 30 CFEDMO COc1cc(C[N@H+]2CCSCC[C@H]2C)ccc1C#N ZINC000282111096 385214164 /nfs/dbraw/zinc/21/41/64/385214164.db2.gz AFOTXVRMPXGKOO-GFCCVEGCSA-N 1 1 276.405 2.894 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2C[C@H](c3ccccc3)C[C@H]2C)C1=O ZINC000282138429 385222346 /nfs/dbraw/zinc/22/23/46/385222346.db2.gz ZHZNYXCJXHRGCN-OIISXLGYSA-N 1 1 284.403 2.651 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)[C@H](C)c2ccccc2C)C1=O ZINC000282140605 385224472 /nfs/dbraw/zinc/22/44/72/385224472.db2.gz ZKOFWACZWPWSTQ-ZBFHGGJFSA-N 1 1 272.392 2.775 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)[C@@H](C)c2ccccc2C)C1=O ZINC000282140597 385224932 /nfs/dbraw/zinc/22/49/32/385224932.db2.gz ZKOFWACZWPWSTQ-HOCLYGCPSA-N 1 1 272.392 2.775 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](C)C[C@@]2(C)C[C@@H]2c2ccccc2)C1=O ZINC000639132080 385232481 /nfs/dbraw/zinc/23/24/81/385232481.db2.gz DRDUJWPKCFNAQH-ZHALLVOQSA-N 1 1 298.430 2.899 20 30 CFEDMO C#C[C@H](C)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289110009 197237487 /nfs/dbraw/zinc/23/74/87/197237487.db2.gz CSHJAIAXTFGCDQ-YQQAZPJKSA-N 1 1 256.393 2.508 20 30 CFEDMO C#C[C@H](C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289110009 197237489 /nfs/dbraw/zinc/23/74/89/197237489.db2.gz CSHJAIAXTFGCDQ-YQQAZPJKSA-N 1 1 256.393 2.508 20 30 CFEDMO C#C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000289110009 197237491 /nfs/dbraw/zinc/23/74/91/197237491.db2.gz CSHJAIAXTFGCDQ-YQQAZPJKSA-N 1 1 256.393 2.508 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)Nc1snc(C)c1C#N ZINC000289062229 197225597 /nfs/dbraw/zinc/22/55/97/197225597.db2.gz MZCFKDMFJLTVQT-JTQLQIEISA-N 1 1 266.414 2.856 20 30 CFEDMO C#CC[N@@H+](C)[C@@H](C)C(=O)N[C@H](CCC)c1ccccc1 ZINC000192218672 533111367 /nfs/dbraw/zinc/11/13/67/533111367.db2.gz ZQRUUOSLFXRBIO-GOEBONIOSA-N 1 1 272.392 2.598 20 30 CFEDMO C#CC[N@H+](C)[C@@H](C)C(=O)N[C@H](CCC)c1ccccc1 ZINC000192218672 533111368 /nfs/dbraw/zinc/11/13/68/533111368.db2.gz ZQRUUOSLFXRBIO-GOEBONIOSA-N 1 1 272.392 2.598 20 30 CFEDMO COc1cc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)ccc1C#N ZINC000282328253 385283851 /nfs/dbraw/zinc/28/38/51/385283851.db2.gz OASBZTGMFPXCMN-DOMZBBRYSA-N 1 1 274.364 2.566 20 30 CFEDMO C#CCCC[N@@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000270995011 385296108 /nfs/dbraw/zinc/29/61/08/385296108.db2.gz FJQSIUCYPXYMCV-INIZCTEOSA-N 1 1 273.376 2.506 20 30 CFEDMO C#CCCC[N@H+](C)[C@@H](Cc1ccccc1)C(=O)OCC ZINC000270995011 385296115 /nfs/dbraw/zinc/29/61/15/385296115.db2.gz FJQSIUCYPXYMCV-INIZCTEOSA-N 1 1 273.376 2.506 20 30 CFEDMO C=CCOc1cccc(C[N@@H+](CCCOC)CCOC)c1 ZINC000271136127 385346772 /nfs/dbraw/zinc/34/67/72/385346772.db2.gz TXEMBRGASHRIDT-UHFFFAOYSA-N 1 1 293.407 2.736 20 30 CFEDMO CCc1nnc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)[nH]1 ZINC000271912368 385399101 /nfs/dbraw/zinc/39/91/01/385399101.db2.gz YEMRSTDOTISLGH-QWRGUYRKSA-N 1 1 269.352 2.651 20 30 CFEDMO C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C#N)c(F)c1 ZINC000271916394 385400472 /nfs/dbraw/zinc/40/04/72/385400472.db2.gz GOFPPUOBUMJMPL-JCURWCKSSA-N 1 1 287.382 2.975 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1ccc(C#N)c(F)c1 ZINC000271916394 385400477 /nfs/dbraw/zinc/40/04/77/385400477.db2.gz GOFPPUOBUMJMPL-JCURWCKSSA-N 1 1 287.382 2.975 20 30 CFEDMO C=CCOc1ccc(C[NH2+]Cc2cc(OC)no2)cc1 ZINC000639324985 385452011 /nfs/dbraw/zinc/45/20/11/385452011.db2.gz MZIDENBCVYEGTB-UHFFFAOYSA-N 1 1 274.320 2.538 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2ccc3oc(=O)n(C)c3c2)C1 ZINC000639347363 385470635 /nfs/dbraw/zinc/47/06/35/385470635.db2.gz ILCKUGTZCFZTHJ-LBPRGKRZSA-N 1 1 272.348 2.530 20 30 CFEDMO CCC[N@@H+](Cc1ccc(C#N)cc1)Cc1ccc(OC)nn1 ZINC000283559832 385476425 /nfs/dbraw/zinc/47/64/25/385476425.db2.gz NTMDIFSHJQCAJQ-UHFFFAOYSA-N 1 1 296.374 2.769 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)CCn1c(C)csc1=O ZINC000272223658 385478557 /nfs/dbraw/zinc/47/85/57/385478557.db2.gz CNMYWSGDSXKDIZ-UHFFFAOYSA-N 1 1 292.404 2.542 20 30 CFEDMO CCc1nc(NCc2ccc(C#N)cc2)cc(C)[nH+]1 ZINC000283770303 385498247 /nfs/dbraw/zinc/49/82/47/385498247.db2.gz OPYVGGCDCUAMPA-UHFFFAOYSA-N 1 1 252.321 2.831 20 30 CFEDMO COCC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1ccc(C)o1 ZINC000272293332 385500868 /nfs/dbraw/zinc/50/08/68/385500868.db2.gz MSGQJYHENJPDPO-CQSZACIVSA-N 1 1 274.320 2.920 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000272452193 385541494 /nfs/dbraw/zinc/54/14/94/385541494.db2.gz CKIIUQYSRGAGFZ-UHFFFAOYSA-N 1 1 273.767 2.983 20 30 CFEDMO C=C(Cl)C[N@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000272452193 385541497 /nfs/dbraw/zinc/54/14/97/385541497.db2.gz CKIIUQYSRGAGFZ-UHFFFAOYSA-N 1 1 273.767 2.983 20 30 CFEDMO C=CCOc1ccc(C[N@H+](C)[C@H]2CN3CCC2CC3)cc1 ZINC000639399946 385518504 /nfs/dbraw/zinc/51/85/04/385518504.db2.gz WJYUPMOSVWSAQS-SFHVURJKSA-N 1 1 286.419 2.777 20 30 CFEDMO C=CCOc1ccc(CN(C)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000639399946 385518508 /nfs/dbraw/zinc/51/85/08/385518508.db2.gz WJYUPMOSVWSAQS-SFHVURJKSA-N 1 1 286.419 2.777 20 30 CFEDMO C#CC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000286190785 385569607 /nfs/dbraw/zinc/56/96/07/385569607.db2.gz PRHGTMMUQACQSZ-UHFFFAOYSA-N 1 1 276.336 2.837 20 30 CFEDMO C[N@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCC[C@H]1O ZINC000272585339 385570050 /nfs/dbraw/zinc/57/00/50/385570050.db2.gz SJLMSMDXGGFXGQ-XJKSGUPXSA-N 1 1 276.355 2.680 20 30 CFEDMO C=C(C)C[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000272685512 385588027 /nfs/dbraw/zinc/58/80/27/385588027.db2.gz CTTCVAVGMJKKFL-UHFFFAOYSA-N 1 1 271.339 2.946 20 30 CFEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1CCc2ncnn21 ZINC000639618320 385616443 /nfs/dbraw/zinc/61/64/43/385616443.db2.gz IUKGIXKHBGHRJW-INIZCTEOSA-N 1 1 282.391 2.844 20 30 CFEDMO CC[N@H+]1CCN(CC#Cc2ccc(Cl)cc2)[C@H](C)C1 ZINC000286433251 385619323 /nfs/dbraw/zinc/61/93/23/385619323.db2.gz IZKVCZQDMDNBIL-CQSZACIVSA-N 1 1 276.811 2.718 20 30 CFEDMO CC[N@H+]1CCN(CC#Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000286463954 385626398 /nfs/dbraw/zinc/62/63/98/385626398.db2.gz KMPWJNHOCDUFEZ-AWEZNQCLSA-N 1 1 276.811 2.718 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H]1CCO[C@@H]1C ZINC000639642518 385629581 /nfs/dbraw/zinc/62/95/81/385629581.db2.gz TVGLGAZLUCYSKD-KGLIPLIRSA-N 1 1 279.380 2.575 20 30 CFEDMO CN(CC[C@@H]1CCCC[N@H+]1C)c1nc2ccccn2c1C#N ZINC000272874871 385639450 /nfs/dbraw/zinc/63/94/50/385639450.db2.gz FBWASRYNGSHQNQ-AWEZNQCLSA-N 1 1 297.406 2.517 20 30 CFEDMO CCOc1ccc(C#N)cc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000272929702 385657417 /nfs/dbraw/zinc/65/74/17/385657417.db2.gz VDULDGXSVLZXBF-HUUCEWRRSA-N 1 1 285.391 2.996 20 30 CFEDMO Cc1ccnc(N2CCC[N@H+](C3CCCC3)CC2)c1C#N ZINC000273280946 385674793 /nfs/dbraw/zinc/67/47/93/385674793.db2.gz DKIHGORMZVREMF-UHFFFAOYSA-N 1 1 284.407 2.716 20 30 CFEDMO Cc1cc(C#N)nc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000286736279 385698353 /nfs/dbraw/zinc/69/83/53/385698353.db2.gz FVTIBWGRLUZQCH-UONOGXRCSA-N 1 1 299.422 2.722 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cc(C#N)ccn1 ZINC000286807941 385714381 /nfs/dbraw/zinc/71/43/81/385714381.db2.gz KYANFMUIUQJXGX-RHSMWYFYSA-N 1 1 292.386 2.886 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639694187 385667236 /nfs/dbraw/zinc/66/72/36/385667236.db2.gz VDEBYSBCTMUBMC-JKSUJKDBSA-N 1 1 260.381 2.588 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(CC)CC(F)(F)F ZINC000639863423 385737602 /nfs/dbraw/zinc/73/76/02/385737602.db2.gz JJPIVZJFJRCRSP-TXEJJXNPSA-N 1 1 290.329 2.580 20 30 CFEDMO C#CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C1CC1 ZINC000274211274 385740237 /nfs/dbraw/zinc/74/02/37/385740237.db2.gz TVFKQRCUKHSILS-UHFFFAOYSA-N 1 1 290.370 2.556 20 30 CFEDMO C#CC[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C1CC1 ZINC000274121267 385722603 /nfs/dbraw/zinc/72/26/03/385722603.db2.gz MYGVSLHYGJTDKC-UHFFFAOYSA-N 1 1 279.343 2.867 20 30 CFEDMO C=CCC[N@H+](CC)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639824738 385726025 /nfs/dbraw/zinc/72/60/25/385726025.db2.gz JVBITMKFOCATIJ-LLVKDONJSA-N 1 1 250.308 2.521 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)C(C)(C)C ZINC000287299222 385821507 /nfs/dbraw/zinc/82/15/07/385821507.db2.gz SNLNVYYBWJYSDB-HOTGVXAUSA-N 1 1 284.403 2.644 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000274762087 385866684 /nfs/dbraw/zinc/86/66/84/385866684.db2.gz DXUGBQAIMWPXCX-CQSZACIVSA-N 1 1 270.380 2.875 20 30 CFEDMO C[C@H](CO)[N@@H+](Cc1cc(C#N)ccc1F)C1CCCC1 ZINC000276268268 385986130 /nfs/dbraw/zinc/98/61/30/385986130.db2.gz CDSCRHLMWJYDFQ-GFCCVEGCSA-N 1 1 276.355 2.823 20 30 CFEDMO C=C1CC[NH+]([C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000276799500 386047027 /nfs/dbraw/zinc/04/70/27/386047027.db2.gz MFPZUPDNFUHMGY-OAHLLOKOSA-N 1 1 256.349 2.592 20 30 CFEDMO Cc1cccc2c1C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)CC2 ZINC000277023642 386109744 /nfs/dbraw/zinc/10/97/44/386109744.db2.gz APRNPALPKIFDHT-LJQANCHMSA-N 1 1 292.382 2.958 20 30 CFEDMO CCC#C[C@H](C)[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC000681033613 542402706 /nfs/dbraw/zinc/40/27/06/542402706.db2.gz JCAMWVQBAGLDNG-HNNXBMFYSA-N 1 1 286.423 2.524 20 30 CFEDMO C[C@@H]1CC[C@@](CO)([N@@H+](C)CC#Cc2ccccc2)C1 ZINC000277049157 386117285 /nfs/dbraw/zinc/11/72/85/386117285.db2.gz USJMHDBQSXPQRD-NVXWUHKLSA-N 1 1 257.377 2.521 20 30 CFEDMO C#CCOc1cccc(-c2noc(C[NH+](CC)CC)n2)c1 ZINC000276879032 386067686 /nfs/dbraw/zinc/06/76/86/386067686.db2.gz FVGTUPRHIGJSRT-UHFFFAOYSA-N 1 1 285.347 2.590 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](C)Cc2cccc(C(F)F)c2)C1=O ZINC000281215376 195152217 /nfs/dbraw/zinc/15/22/17/195152217.db2.gz DLZQAOGBLKPFTP-CQSZACIVSA-N 1 1 294.345 2.843 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)N(C)CCCn1cc[nH+]c1C ZINC000281307639 195190621 /nfs/dbraw/zinc/19/06/21/195190621.db2.gz JOSCQQIEQSVOTG-CQSZACIVSA-N 1 1 278.400 2.578 20 30 CFEDMO OC[C@@H]1CCC[N@H+]1CC#Cc1ccc(C(F)(F)F)cc1 ZINC000267331218 285273893 /nfs/dbraw/zinc/27/38/93/285273893.db2.gz ADRBZKWVVBOABD-AWEZNQCLSA-N 1 1 283.293 2.514 20 30 CFEDMO CSCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000281347587 195205598 /nfs/dbraw/zinc/20/55/98/195205598.db2.gz KJOLIXHVLMIDFY-GFCCVEGCSA-N 1 1 291.420 2.570 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)Cc2cc3ccccc3o2)C1=O ZINC000281349588 195207574 /nfs/dbraw/zinc/20/75/74/195207574.db2.gz UAZNPZQGVMYPPW-HNNXBMFYSA-N 1 1 284.359 2.652 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+](C)Cc2cc3ccccc3o2)C1=O ZINC000281349588 195207576 /nfs/dbraw/zinc/20/75/76/195207576.db2.gz UAZNPZQGVMYPPW-HNNXBMFYSA-N 1 1 284.359 2.652 20 30 CFEDMO C=CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2Cl)C1=O ZINC000281382516 195218858 /nfs/dbraw/zinc/21/88/58/195218858.db2.gz YYEIJHRAQGVDRH-QMTHXVAHSA-N 1 1 296.773 2.917 20 30 CFEDMO C=CCN1CC[C@H]([N@H+](C)CC[C@H](C)c2ccccc2)C1=O ZINC000281388282 195221171 /nfs/dbraw/zinc/22/11/71/195221171.db2.gz WQCUTTJMZAHSGM-RDJZCZTQSA-N 1 1 286.419 2.899 20 30 CFEDMO C=CCCCCC[N@H+]1CCN(C2CCOCC2)C[C@@H]1C ZINC000365131392 262279850 /nfs/dbraw/zinc/27/98/50/262279850.db2.gz GKNJYDZQSHLZLG-INIZCTEOSA-N 1 1 280.456 2.918 20 30 CFEDMO C=CCCCCC[N@@H+]1CCN(C2CCOCC2)C[C@@H]1C ZINC000365131392 262279851 /nfs/dbraw/zinc/27/98/51/262279851.db2.gz GKNJYDZQSHLZLG-INIZCTEOSA-N 1 1 280.456 2.918 20 30 CFEDMO COC(=O)[C@@H]1C[N@@H+](CCCCC(C)(C)C#N)CC1(C)C ZINC000365198653 262283098 /nfs/dbraw/zinc/28/30/98/262283098.db2.gz RIYVMKNWJUDTAZ-ZDUSSCGKSA-N 1 1 280.412 2.837 20 30 CFEDMO C=C(C)[C@@H](CO)[N@@H+](CC)Cc1c[nH]c2ccccc12 ZINC000682372614 542542417 /nfs/dbraw/zinc/54/24/17/542542417.db2.gz MFKKPLJSVWRBSW-MRXNPFEDSA-N 1 1 258.365 2.927 20 30 CFEDMO N#CCCCOc1cccc(CNCC[NH+]2CCCC2)c1 ZINC000171246180 335060945 /nfs/dbraw/zinc/06/09/45/335060945.db2.gz MEONVWFBUFSKAF-UHFFFAOYSA-N 1 1 287.407 2.555 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2cn3ccccc3c2C#N)CCCO1 ZINC000281542416 195280437 /nfs/dbraw/zinc/28/04/37/195280437.db2.gz WZFNROJTPALTFW-OAHLLOKOSA-N 1 1 283.375 2.812 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2cn3ccccc3c2C#N)CCCO1 ZINC000281542416 195280439 /nfs/dbraw/zinc/28/04/39/195280439.db2.gz WZFNROJTPALTFW-OAHLLOKOSA-N 1 1 283.375 2.812 20 30 CFEDMO CO[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)[C@H](C)C1 ZINC000281743114 195361376 /nfs/dbraw/zinc/36/13/76/195361376.db2.gz QNVATCZRJQGPLD-UKRRQHHQSA-N 1 1 283.375 2.810 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CCSC(C)(C)C1 ZINC000156699389 533269029 /nfs/dbraw/zinc/26/90/29/533269029.db2.gz PLSLDANBSFUYDV-UHFFFAOYSA-N 1 1 276.405 2.894 20 30 CFEDMO C[C@@H](NCCC[NH2+]Cc1cccnc1)c1cccc(C#N)c1 ZINC000423181901 533384922 /nfs/dbraw/zinc/38/49/22/533384922.db2.gz DHEYWIIAXZIZBM-OAHLLOKOSA-N 1 1 294.402 2.784 20 30 CFEDMO C[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(C#N)c(F)c1 ZINC000423350292 533438505 /nfs/dbraw/zinc/43/85/05/533438505.db2.gz XGEIIILMICWSNW-MLGOLLRUSA-N 1 1 275.371 2.738 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426484277 533497166 /nfs/dbraw/zinc/49/71/66/533497166.db2.gz FVMOTRZWZBXYTI-HIFRSBDPSA-N 1 1 256.349 2.941 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)N[C@@H](C)c1cccs1 ZINC000248226330 533504567 /nfs/dbraw/zinc/50/45/67/533504567.db2.gz JIGNNKAKXJIYDS-LBPRGKRZSA-N 1 1 266.410 2.823 20 30 CFEDMO Cc1cc(C[N@H+]2CCCCC[C@H]2CCO)ccc1C#N ZINC000342072554 130237549 /nfs/dbraw/zinc/23/75/49/130237549.db2.gz YGLGJSQJXGIKCY-KRWDZBQOSA-N 1 1 272.392 2.994 20 30 CFEDMO CC[C@@H]1CCCC[N@H+]1CCNc1cc(C)nc(C#N)c1 ZINC000342127943 130285023 /nfs/dbraw/zinc/28/50/23/130285023.db2.gz MCQAOBLPSMKVRX-MRXNPFEDSA-N 1 1 272.396 2.938 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000683037531 542633047 /nfs/dbraw/zinc/63/30/47/542633047.db2.gz XDAJPERYZHJEAF-DLBZAZTESA-N 1 1 275.392 2.559 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@H](c2ccc(CC)cc2)C1 ZINC000683037531 542633050 /nfs/dbraw/zinc/63/30/50/542633050.db2.gz XDAJPERYZHJEAF-DLBZAZTESA-N 1 1 275.392 2.559 20 30 CFEDMO Cc1sc(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2C)c(C#N)c1C ZINC000246384423 131093578 /nfs/dbraw/zinc/09/35/78/131093578.db2.gz PCDGJTQMXQCLGC-GXSJLCMTSA-N 1 1 291.420 2.905 20 30 CFEDMO Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2C)c(C#N)c1C ZINC000246384423 131093579 /nfs/dbraw/zinc/09/35/79/131093579.db2.gz PCDGJTQMXQCLGC-GXSJLCMTSA-N 1 1 291.420 2.905 20 30 CFEDMO N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000246705612 131096533 /nfs/dbraw/zinc/09/65/33/131096533.db2.gz CIOXFLPKOOZDDG-DJIMGWMZSA-N 1 1 270.376 2.856 20 30 CFEDMO Cc1oc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H]2C)c(C#N)c1C ZINC000248369944 131114536 /nfs/dbraw/zinc/11/45/36/131114536.db2.gz WVXHAXSNPVJHHY-JLLWLGSASA-N 1 1 289.379 2.825 20 30 CFEDMO Cc1oc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H]2C)c(C#N)c1C ZINC000248369944 131114538 /nfs/dbraw/zinc/11/45/38/131114538.db2.gz WVXHAXSNPVJHHY-JLLWLGSASA-N 1 1 289.379 2.825 20 30 CFEDMO C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H]1C ZINC000248366926 131114819 /nfs/dbraw/zinc/11/48/19/131114819.db2.gz SRKVYFSYRVXVRR-STQMWFEESA-N 1 1 271.364 2.617 20 30 CFEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNc2ncccc2C#N)C1 ZINC000263687047 131308617 /nfs/dbraw/zinc/30/86/17/131308617.db2.gz BESBDEKYLPOYTE-CYBMUJFWSA-N 1 1 272.396 2.876 20 30 CFEDMO C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2nccnc2C#N)C1 ZINC000263756145 131323434 /nfs/dbraw/zinc/32/34/34/131323434.db2.gz FWKGGSHGBBQZSC-OKILXGFUSA-N 1 1 287.411 2.518 20 30 CFEDMO C[N@@H+](CCOc1ccccc1C#N)[C@H](CO)c1ccccc1 ZINC000264067012 131389582 /nfs/dbraw/zinc/38/95/82/131389582.db2.gz YKZBZUOEIUADLO-QGZVFWFLSA-N 1 1 296.370 2.602 20 30 CFEDMO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000683788718 542725583 /nfs/dbraw/zinc/72/55/83/542725583.db2.gz CGQUSIQTPSHYGM-UONOGXRCSA-N 1 1 276.355 2.866 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000683788718 542725586 /nfs/dbraw/zinc/72/55/86/542725586.db2.gz 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299.374 2.850 20 30 CFEDMO Cc1noc([C@@H]2CCCC[N@@H+]2CCC(C)(C)C#N)n1 ZINC000353554881 228119928 /nfs/dbraw/zinc/11/99/28/228119928.db2.gz MJDZHRBDUBDFQY-LBPRGKRZSA-N 1 1 262.357 2.845 20 30 CFEDMO Cc1noc([C@@H]2CCCC[N@H+]2CCC(C)(C)C#N)n1 ZINC000353554881 228119930 /nfs/dbraw/zinc/11/99/30/228119930.db2.gz MJDZHRBDUBDFQY-LBPRGKRZSA-N 1 1 262.357 2.845 20 30 CFEDMO CCn1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000330312984 228136134 /nfs/dbraw/zinc/13/61/34/228136134.db2.gz WVKLEMLUFLOPRM-ZDUSSCGKSA-N 1 1 264.373 2.756 20 30 CFEDMO C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000330338707 228156016 /nfs/dbraw/zinc/15/60/16/228156016.db2.gz VSWNNZXYACLVTI-ILXRZTDVSA-N 1 1 294.439 2.901 20 30 CFEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000187589091 260041055 /nfs/dbraw/zinc/04/10/55/260041055.db2.gz FDHUTBAUVHCCMG-VHSXEESVSA-N 1 1 299.201 2.782 20 30 CFEDMO C=CCCC[N@@H+]1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000117874641 260117358 /nfs/dbraw/zinc/11/73/58/260117358.db2.gz KJWGEKCRJMKSTR-XHSDSOJGSA-N 1 1 266.429 2.526 20 30 CFEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000117943128 260117376 /nfs/dbraw/zinc/11/73/76/260117376.db2.gz RSWRFNLZZNNBPL-UWVGGRQHSA-N 1 1 299.201 2.782 20 30 CFEDMO CC[C@@H]1C[C@H](C[N@@H+](CCC#N)CC2CC2)CCO1 ZINC000356993623 260122389 /nfs/dbraw/zinc/12/23/89/260122389.db2.gz NYGCNMWRFUOVIX-HUUCEWRRSA-N 1 1 250.386 2.817 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1)C[C@@H](O)CC(F)(F)F ZINC000188618888 260163214 /nfs/dbraw/zinc/16/32/14/260163214.db2.gz XQPWCANLEHWPBC-ZDUSSCGKSA-N 1 1 273.298 2.988 20 30 CFEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)NCCCC ZINC000299184049 260174446 /nfs/dbraw/zinc/17/44/46/260174446.db2.gz ZWJNLVHJGVDVBQ-CQSZACIVSA-N 1 1 278.396 2.615 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)NCCCC ZINC000299184049 260174448 /nfs/dbraw/zinc/17/44/48/260174448.db2.gz ZWJNLVHJGVDVBQ-CQSZACIVSA-N 1 1 278.396 2.615 20 30 CFEDMO C[C@@H]1C[C@H](Nc2cccc(-n3cccn3)c2C#N)CC[N@H+]1C ZINC000517392023 260180200 /nfs/dbraw/zinc/18/02/00/260180200.db2.gz ZIIKDDYTPOUSDL-ZIAGYGMSSA-N 1 1 295.390 2.639 20 30 CFEDMO CC[N@@H+]1CCC[C@H]1CNC1CC(C#N)(c2ccccc2)C1 ZINC000086036191 260205782 /nfs/dbraw/zinc/20/57/82/260205782.db2.gz BZHGYCYIXYLQIO-ADKAHSJRSA-N 1 1 283.419 2.684 20 30 CFEDMO CC[N@H+]1CCC[C@H]1CNC1CC(C#N)(c2ccccc2)C1 ZINC000086036191 260205783 /nfs/dbraw/zinc/20/57/83/260205783.db2.gz BZHGYCYIXYLQIO-ADKAHSJRSA-N 1 1 283.419 2.684 20 30 CFEDMO CCC[N@@H+](CCCC#N)C[C@@H]1COc2ccccc2O1 ZINC000052922944 260212380 /nfs/dbraw/zinc/21/23/80/260212380.db2.gz BSTIOODMSIQZBZ-CQSZACIVSA-N 1 1 274.364 2.842 20 30 CFEDMO C=CCN(C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000357569151 260231894 /nfs/dbraw/zinc/23/18/94/260231894.db2.gz KYMNHXTYKBUNBW-KGLIPLIRSA-N 1 1 279.428 2.609 20 30 CFEDMO CCCCC(N)=[NH+]OCC(=O)Nc1c(C)cccc1CC ZINC000063460140 260239936 /nfs/dbraw/zinc/23/99/36/260239936.db2.gz OSUDIMNFDBVGNV-UHFFFAOYSA-N 1 1 291.395 2.975 20 30 CFEDMO COc1ccc(C[N@H+](C)C[C@H](C#N)CCC#N)cc1 ZINC000072589809 260276802 /nfs/dbraw/zinc/27/68/02/260276802.db2.gz IKVQDQDUCPTLHD-AWEZNQCLSA-N 1 1 257.337 2.571 20 30 CFEDMO COc1ccc(C[N@@H+](C)C[C@H](C#N)CCC#N)cc1 ZINC000072589809 260276804 /nfs/dbraw/zinc/27/68/04/260276804.db2.gz IKVQDQDUCPTLHD-AWEZNQCLSA-N 1 1 257.337 2.571 20 30 CFEDMO N#CCc1cccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000313432596 260293064 /nfs/dbraw/zinc/29/30/64/260293064.db2.gz AXMHGMSQZLBQFV-HZPDHXFCSA-N 1 1 255.365 2.791 20 30 CFEDMO C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(C)(C#N)CC1 ZINC000408157379 260312747 /nfs/dbraw/zinc/31/27/47/260312747.db2.gz BZMFAXVVFKJZTQ-QLFBSQMISA-N 1 1 291.439 2.695 20 30 CFEDMO Cc1ncc(C[N@@H+](C)CCCSCC#N)s1 ZINC000080631454 260317440 /nfs/dbraw/zinc/31/74/40/260317440.db2.gz YXYWAUGAZGRGGN-UHFFFAOYSA-N 1 1 255.412 2.530 20 30 CFEDMO N#CCC[N@@H+](C[C@H](O)c1ccccc1Cl)CC1CC1 ZINC000081514676 260333852 /nfs/dbraw/zinc/33/38/52/260333852.db2.gz YXVHBVYZWAVXOX-HNNXBMFYSA-N 1 1 278.783 2.999 20 30 CFEDMO N#CCC[N@H+](C[C@H](O)c1ccccc1Cl)CC1CC1 ZINC000081514676 260333853 /nfs/dbraw/zinc/33/38/53/260333853.db2.gz YXVHBVYZWAVXOX-HNNXBMFYSA-N 1 1 278.783 2.999 20 30 CFEDMO N#CCC[N@H+](CCc1nc(-c2ccccc2)no1)CC1CC1 ZINC000081514765 260334065 /nfs/dbraw/zinc/33/40/65/260334065.db2.gz BVRGVLSQUINFOG-UHFFFAOYSA-N 1 1 296.374 2.905 20 30 CFEDMO N#CCC[N@@H+](CCc1nc(-c2ccccc2)no1)CC1CC1 ZINC000081514765 260334067 /nfs/dbraw/zinc/33/40/67/260334067.db2.gz BVRGVLSQUINFOG-UHFFFAOYSA-N 1 1 296.374 2.905 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CCNc1cccc(-n2cccn2)c1C#N ZINC000516937467 260369060 /nfs/dbraw/zinc/36/90/60/260369060.db2.gz GYYLEHUGIMHGPG-CQSZACIVSA-N 1 1 297.406 2.886 20 30 CFEDMO C=CC[C@@H](C(=O)N1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000426996368 260548829 /nfs/dbraw/zinc/54/88/29/260548829.db2.gz ZTKYDUPWCPYOJJ-GDBMZVCRSA-N 1 1 272.392 2.509 20 30 CFEDMO C=CC[C@@H](C(=O)N1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000426996368 260548831 /nfs/dbraw/zinc/54/88/31/260548831.db2.gz ZTKYDUPWCPYOJJ-GDBMZVCRSA-N 1 1 272.392 2.509 20 30 CFEDMO CC#CC[N@@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000159030434 260911776 /nfs/dbraw/zinc/91/17/76/260911776.db2.gz JYLCZZGXVONRNJ-UHFFFAOYSA-N 1 1 259.349 2.692 20 30 CFEDMO CC#CC[N@H+](Cc1cc(OC)ccc1OC)C1CC1 ZINC000159030434 260911780 /nfs/dbraw/zinc/91/17/80/260911780.db2.gz JYLCZZGXVONRNJ-UHFFFAOYSA-N 1 1 259.349 2.692 20 30 CFEDMO COC(=O)CCC[N@@H+](CCCC#N)Cc1ccccc1 ZINC000153212015 261075320 /nfs/dbraw/zinc/07/53/20/261075320.db2.gz GCAHUDQDLGRTHA-UHFFFAOYSA-N 1 1 274.364 2.746 20 30 CFEDMO C=CCCCNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000448390623 261139855 /nfs/dbraw/zinc/13/98/55/261139855.db2.gz UPYBWQLVHYZMCD-GJZGRUSLSA-N 1 1 293.455 2.905 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1C(F)F ZINC000361134964 261164633 /nfs/dbraw/zinc/16/46/33/261164633.db2.gz BTXZWGHQPHUXQM-NSHDSACASA-N 1 1 255.312 2.898 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1Cc1cn(C)nc1C(F)F ZINC000361134964 261164631 /nfs/dbraw/zinc/16/46/31/261164631.db2.gz BTXZWGHQPHUXQM-NSHDSACASA-N 1 1 255.312 2.898 20 30 CFEDMO C[C@H](CC#N)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000161747634 261258745 /nfs/dbraw/zinc/25/87/45/261258745.db2.gz CRSSOTZVSOSCHQ-GFCCVEGCSA-N 1 1 277.324 2.598 20 30 CFEDMO C[C@H](CC#N)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000161747634 261258747 /nfs/dbraw/zinc/25/87/47/261258747.db2.gz CRSSOTZVSOSCHQ-GFCCVEGCSA-N 1 1 277.324 2.598 20 30 CFEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(C#N)CCCC2)C1 ZINC000102490226 261267043 /nfs/dbraw/zinc/26/70/43/261267043.db2.gz SSCCPFQFKIOEIN-CQSZACIVSA-N 1 1 291.439 2.697 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(C)cc1-c1ccnn1C ZINC000491201039 261367873 /nfs/dbraw/zinc/36/78/73/261367873.db2.gz FEKZPCWZOXSISW-AWEZNQCLSA-N 1 1 267.376 2.849 20 30 CFEDMO CC[C@H](CC#N)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000184089635 262008130 /nfs/dbraw/zinc/00/81/30/262008130.db2.gz QCDAPZZWILFNBV-VUDGCMKMSA-N 1 1 259.309 2.890 20 30 CFEDMO CC[C@H]1CN(C(=O)C(C)(C)C#N)CC[N@@H+]1Cc1ccccc1 ZINC000185346017 262051863 /nfs/dbraw/zinc/05/18/63/262051863.db2.gz ZFNLRLOYWXOZIF-INIZCTEOSA-N 1 1 299.418 2.659 20 30 CFEDMO CC[C@H]1CN(C(=O)C(C)(C)C#N)CC[N@H+]1Cc1ccccc1 ZINC000185346017 262051864 /nfs/dbraw/zinc/05/18/64/262051864.db2.gz ZFNLRLOYWXOZIF-INIZCTEOSA-N 1 1 299.418 2.659 20 30 CFEDMO CC[N@@H+](Cc1ccc(C(=O)N[C@H](C#N)C2CC2)cc1)C(C)C ZINC000108827363 262060955 /nfs/dbraw/zinc/06/09/55/262060955.db2.gz HQDDBUDPLMBWNQ-QGZVFWFLSA-N 1 1 299.418 2.949 20 30 CFEDMO C=C[C@H](CC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1)c1ccccc1 ZINC000368597408 262137937 /nfs/dbraw/zinc/13/79/37/262137937.db2.gz XIEVRNWKHYSNDF-NXHRZFHOSA-N 1 1 298.430 2.899 20 30 CFEDMO C=CC[C@H](C)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000116945995 262198642 /nfs/dbraw/zinc/19/86/42/262198642.db2.gz RBIOWGLYUSOORC-GJZGRUSLSA-N 1 1 281.444 2.762 20 30 CFEDMO CC(C)(C#N)CCCC[NH+]1CCN(C2CCC2)CC1 ZINC000311300033 262225292 /nfs/dbraw/zinc/22/52/92/262225292.db2.gz NOEUILTUQHTVTQ-UHFFFAOYSA-N 1 1 263.429 2.877 20 30 CFEDMO O=C1CCCN1C[C@H]1CCCC[N@H+]1CC#Cc1ccccc1 ZINC000364471855 262248033 /nfs/dbraw/zinc/24/80/33/262248033.db2.gz IPHVWRCHOSNKNJ-GOSISDBHSA-N 1 1 296.414 2.515 20 30 CFEDMO C=CC1CC[NH+]([C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000111260037 262258871 /nfs/dbraw/zinc/25/88/71/262258871.db2.gz JTUCIUPJZFZKAI-ZDUSSCGKSA-N 1 1 283.379 2.621 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@H+]1CCCC2(CCCCC2)C1 ZINC000111323935 262259753 /nfs/dbraw/zinc/25/97/53/262259753.db2.gz OMVZMGUZSMDWQZ-AWEZNQCLSA-N 1 1 264.413 2.723 20 30 CFEDMO CC(C)CCC[N@H+]1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000364850624 262262684 /nfs/dbraw/zinc/26/26/84/262262684.db2.gz CAGHPRQONQQSJY-KSSFIOAISA-N 1 1 297.402 2.768 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N1CC=C(c2ccccc2)CC1 ZINC000364873712 262263694 /nfs/dbraw/zinc/26/36/94/262263694.db2.gz SCAHTFSFLZTBPV-UHFFFAOYSA-N 1 1 284.403 2.810 20 30 CFEDMO C=CCc1cc(C[N@H+]2CCOCC[C@@H]2C)cc(OC)c1O ZINC000367710897 262265701 /nfs/dbraw/zinc/26/57/01/262265701.db2.gz WUOGKVZZWNZMFD-ZDUSSCGKSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CCCCCCN1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000365131392 262279848 /nfs/dbraw/zinc/27/98/48/262279848.db2.gz GKNJYDZQSHLZLG-INIZCTEOSA-N 1 1 280.456 2.918 20 30 CFEDMO O=c1[nH]ccc2c1C[N@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000365194651 262283178 /nfs/dbraw/zinc/28/31/78/262283178.db2.gz YCIAWELIPWTTFQ-UHFFFAOYSA-N 1 1 298.773 2.850 20 30 CFEDMO O=c1[nH]ccc2c1C[N@@H+](CC#Cc1ccc(Cl)cc1)CC2 ZINC000365194651 262283179 /nfs/dbraw/zinc/28/31/79/262283179.db2.gz YCIAWELIPWTTFQ-UHFFFAOYSA-N 1 1 298.773 2.850 20 30 CFEDMO C=CCCCC[N@@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496614353 262349099 /nfs/dbraw/zinc/34/90/99/262349099.db2.gz LIIFIWDLAXEZFK-CQSZACIVSA-N 1 1 298.427 2.568 20 30 CFEDMO C=CCCCC[N@H+]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000496614353 262349100 /nfs/dbraw/zinc/34/91/00/262349100.db2.gz LIIFIWDLAXEZFK-CQSZACIVSA-N 1 1 298.427 2.568 20 30 CFEDMO C=CCc1ccccc1OC[C@@H](O)C[N@H+](C)CC1CCC1 ZINC000111696640 262356984 /nfs/dbraw/zinc/35/69/84/262356984.db2.gz DTHUIVVKQDNBNT-KRWDZBQOSA-N 1 1 289.419 2.887 20 30 CFEDMO C[C@H]1CC[S@@](=O)CC[N@H+]1CCCCC(C)(C)C#N ZINC000365600364 262373087 /nfs/dbraw/zinc/37/30/87/262373087.db2.gz OVVLUAQMIFLYEW-SCLBCKFNSA-N 1 1 270.442 2.549 20 30 CFEDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CCCCC(C)(C)C#N)[C@@H]2C1 ZINC000365631301 262376735 /nfs/dbraw/zinc/37/67/35/262376735.db2.gz WLLSMOKMQLQWPY-BZUAXINKSA-N 1 1 294.439 2.975 20 30 CFEDMO C=CC1CC[NH+](Cc2csc(COC)n2)CC1 ZINC000336702280 262381184 /nfs/dbraw/zinc/38/11/84/262381184.db2.gz MFHWITGLADNCHA-UHFFFAOYSA-N 1 1 252.383 2.688 20 30 CFEDMO N#CCCCCN1CC[NH+](CCc2cccs2)CC1 ZINC000336798360 262396791 /nfs/dbraw/zinc/39/67/91/262396791.db2.gz DRVHQEQZRNOJKX-UHFFFAOYSA-N 1 1 277.437 2.602 20 30 CFEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H]1CCCO1 ZINC000336820255 262397489 /nfs/dbraw/zinc/39/74/89/262397489.db2.gz CGZUGVXAFYEYPX-BRWVUGGUSA-N 1 1 270.376 2.937 20 30 CFEDMO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H]1CCCO1 ZINC000336820255 262397491 /nfs/dbraw/zinc/39/74/91/262397491.db2.gz CGZUGVXAFYEYPX-BRWVUGGUSA-N 1 1 270.376 2.937 20 30 CFEDMO CC(C)[C@H](O)C[N@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000336832979 262399155 /nfs/dbraw/zinc/39/91/55/262399155.db2.gz XFKNHLLZIPFRSN-YESZJQIVSA-N 1 1 272.392 2.775 20 30 CFEDMO COc1cccc(OCC[N@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000338343409 262523635 /nfs/dbraw/zinc/52/36/35/262523635.db2.gz BLQUFCHGWWWKSP-ZDUSSCGKSA-N 1 1 274.364 2.698 20 30 CFEDMO COc1cccc(OCC[N@@H+](C[C@@H](C)C#N)C2CC2)c1 ZINC000338343409 262523636 /nfs/dbraw/zinc/52/36/36/262523636.db2.gz BLQUFCHGWWWKSP-ZDUSSCGKSA-N 1 1 274.364 2.698 20 30 CFEDMO C=CCC[N@@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C ZINC000338540780 262544452 /nfs/dbraw/zinc/54/44/52/262544452.db2.gz CGBJWYSKQKAODR-WBVHZDCISA-N 1 1 275.392 2.605 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)CCC#N)c1cn(-c2ccccc2)nn1 ZINC000411529056 262697456 /nfs/dbraw/zinc/69/74/56/262697456.db2.gz 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/nfs/dbraw/zinc/20/89/12/263208912.db2.gz BSTAPCAGVGYRBC-CQSZACIVSA-N 1 1 277.437 2.600 20 30 CFEDMO CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H](C)C#N)cc1)C(C)C ZINC000298010873 263213796 /nfs/dbraw/zinc/21/37/96/263213796.db2.gz ZDPKBHXOXCMOJT-CQSZACIVSA-N 1 1 287.407 2.901 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000298551712 263222173 /nfs/dbraw/zinc/22/21/73/263222173.db2.gz OGDBYAJMPHYTAP-OLZOCXBDSA-N 1 1 277.343 2.756 20 30 CFEDMO N#CCc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000298700101 263224509 /nfs/dbraw/zinc/22/45/09/263224509.db2.gz DGNVMPAVLDKGQF-HOTGVXAUSA-N 1 1 298.390 2.501 20 30 CFEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(CC#N)c1 ZINC000299089205 263230703 /nfs/dbraw/zinc/23/07/03/263230703.db2.gz MQLYQSUWVVMHDO-CABCVRRESA-N 1 1 299.418 2.603 20 30 CFEDMO Oc1cccc(/C=N/[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000299268392 263236850 /nfs/dbraw/zinc/23/68/50/263236850.db2.gz KIKMLEGHYHXJHZ-YDDPGSGASA-N 1 1 296.370 2.791 20 30 CFEDMO CC[N@@H+](CCCC#N)Cc1ccc(OC)cc1OC ZINC000299365424 263241050 /nfs/dbraw/zinc/24/10/50/263241050.db2.gz DMIKSQPYOFZUHZ-UHFFFAOYSA-N 1 1 262.353 2.829 20 30 CFEDMO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000299666439 263251456 /nfs/dbraw/zinc/25/14/56/263251456.db2.gz RKROEXBLUGDQCM-CQSZACIVSA-N 1 1 299.418 2.892 20 30 CFEDMO C=CCc1cc(C[NH2+][C@@H](CN)C(C)(C)C)cc(OC)c1O ZINC000415054835 263258986 /nfs/dbraw/zinc/25/89/86/263258986.db2.gz NCMRLWCTPWXJAK-HNNXBMFYSA-N 1 1 292.423 2.592 20 30 CFEDMO C=CCOc1cccc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415124987 263274136 /nfs/dbraw/zinc/27/41/36/263274136.db2.gz KUCDWMILLRRQAU-HOCLYGCPSA-N 1 1 274.408 2.668 20 30 CFEDMO C#CCCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000119853835 263279163 /nfs/dbraw/zinc/27/91/63/263279163.db2.gz GYONSCWDHIPCSX-SFHVURJKSA-N 1 1 298.430 2.961 20 30 CFEDMO C#CCCCCC(=O)Nc1c[nH+]ccc1-n1cc(C)cn1 ZINC000120319753 263285073 /nfs/dbraw/zinc/28/50/73/263285073.db2.gz XWMNNEGHTMSEJX-UHFFFAOYSA-N 1 1 282.347 2.708 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)N[C@H](C)c1cccs1 ZINC000121099539 263289712 /nfs/dbraw/zinc/28/97/12/263289712.db2.gz LNGSCFOTDCVYAR-GFCCVEGCSA-N 1 1 266.410 2.823 20 30 CFEDMO C=CC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000121338847 263290529 /nfs/dbraw/zinc/29/05/29/263290529.db2.gz WUSAHXMUFSZIIO-NEPJUHHUSA-N 1 1 264.344 2.509 20 30 CFEDMO C=CC[N@@H+](C)CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000121456298 263293766 /nfs/dbraw/zinc/29/37/66/263293766.db2.gz FHSBEQWNSOSPCZ-KRWDZBQOSA-N 1 1 290.407 2.626 20 30 CFEDMO C=CC[N@H+](C)CC(=O)N[C@H](c1ccc(OC)cc1)C(C)C ZINC000121456298 263293769 /nfs/dbraw/zinc/29/37/69/263293769.db2.gz FHSBEQWNSOSPCZ-KRWDZBQOSA-N 1 1 290.407 2.626 20 30 CFEDMO C=CC[N@H+](C)Cc1cccc(C(=O)NCC(C)C)c1 ZINC000121435711 263294977 /nfs/dbraw/zinc/29/49/77/263294977.db2.gz RMEUOTBHRBFRMZ-UHFFFAOYSA-N 1 1 260.381 2.690 20 30 CFEDMO C=CC[N@@H+](C)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000121391939 263295764 /nfs/dbraw/zinc/29/57/64/263295764.db2.gz BKWMRGRNUPIJIK-UHFFFAOYSA-N 1 1 277.755 2.658 20 30 CFEDMO C=CCCC[C@H](C)[N@@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000340869640 263310603 /nfs/dbraw/zinc/31/06/03/263310603.db2.gz LHBISQQRLOFCOG-NWDGAFQWSA-N 1 1 267.373 2.954 20 30 CFEDMO C=CCCC[C@H](C)[N@H+](C)Cc1nc([C@@H](C)OC)no1 ZINC000340869640 263310605 /nfs/dbraw/zinc/31/06/05/263310605.db2.gz LHBISQQRLOFCOG-NWDGAFQWSA-N 1 1 267.373 2.954 20 30 CFEDMO C=CCCC[C@@H](C)[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000340918234 263315284 /nfs/dbraw/zinc/31/52/84/263315284.db2.gz PMAQJBDLIJYTRZ-HUUCEWRRSA-N 1 1 262.401 2.735 20 30 CFEDMO C=CC[C@H](CC)NC(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000341217400 263327098 /nfs/dbraw/zinc/32/70/98/263327098.db2.gz NLCMNROSGNIYKA-LSDHHAIUSA-N 1 1 281.444 2.905 20 30 CFEDMO C=CC[C@H](CC)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000341231734 263328373 /nfs/dbraw/zinc/32/83/73/263328373.db2.gz WDMAVKRYWKUASZ-UONOGXRCSA-N 1 1 279.428 2.657 20 30 CFEDMO C=CCCCNC(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000341473660 263341386 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C[N@H+](CC(=O)Nc1ccccc1SCC#N)CC1CC1 ZINC000048580031 328317213 /nfs/dbraw/zinc/31/72/13/328317213.db2.gz GRIBVCTUIKAMDC-UHFFFAOYSA-N 1 1 289.404 2.583 20 30 CFEDMO C[N@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(F)cc1 ZINC000161144882 322348066 /nfs/dbraw/zinc/34/80/66/322348066.db2.gz VJOQWIPHQLIQRN-UHFFFAOYSA-N 1 1 294.333 2.977 20 30 CFEDMO C[N@@H+](Cc1cnc2ccc(C#N)cn12)Cc1ccc(F)cc1 ZINC000161144882 322348068 /nfs/dbraw/zinc/34/80/68/322348068.db2.gz VJOQWIPHQLIQRN-UHFFFAOYSA-N 1 1 294.333 2.977 20 30 CFEDMO Cc1noc(C)c1CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000164637303 322383133 /nfs/dbraw/zinc/38/31/33/322383133.db2.gz LFZMKMHOFYHVOJ-UHFFFAOYSA-N 1 1 269.348 2.838 20 30 CFEDMO C[C@@H]1Cc2[nH+]cn(Cc3ccc(C#N)cn3)c2C[C@H]1C ZINC000573336561 322653117 /nfs/dbraw/zinc/65/31/17/322653117.db2.gz UBLHUFDAGNHKFA-VXGBXAGGSA-N 1 1 266.348 2.569 20 30 CFEDMO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ncnn1C ZINC000573866515 322672022 /nfs/dbraw/zinc/67/20/22/322672022.db2.gz YBIRGYODFREBMX-LRDDRELGSA-N 1 1 295.390 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CN(C(=O)C[N@@H+](C)C1CCCC1)C1(C#N)CCCCC1 ZINC000053435595 327240747 /nfs/dbraw/zinc/24/07/47/327240747.db2.gz FBJADTKXYRLVHZ-UHFFFAOYSA-N 1 1 277.412 2.546 20 30 CFEDMO CC#CCC[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000155330355 327392131 /nfs/dbraw/zinc/39/21/31/327392131.db2.gz ISZCDRXCEWZIMU-AWEZNQCLSA-N 1 1 280.412 2.637 20 30 CFEDMO C=CCCCCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000569987070 327560529 /nfs/dbraw/zinc/56/05/29/327560529.db2.gz OMDHUOMIUXXKSA-CQSZACIVSA-N 1 1 275.396 2.617 20 30 CFEDMO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+]1CCC2(CCC2)C1 ZINC000122916875 329006888 /nfs/dbraw/zinc/00/68/88/329006888.db2.gz XSRQNRWIRLLMCQ-CQSZACIVSA-N 1 1 289.423 2.594 20 30 CFEDMO C[C@H]1C[C@H](N2CCCC2)C[N@H+]1CC(C)(C)CCC#N ZINC000377694023 329025374 /nfs/dbraw/zinc/02/53/74/329025374.db2.gz KMTIVRAYZJRGLU-GJZGRUSLSA-N 1 1 263.429 2.875 20 30 CFEDMO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC(C)(C)CCC#N ZINC000377694023 329025376 /nfs/dbraw/zinc/02/53/76/329025376.db2.gz KMTIVRAYZJRGLU-GJZGRUSLSA-N 1 1 263.429 2.875 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2C[C@H](CC)O[C@@]3(CCCOC3)C2)cc1 ZINC000377703177 329025821 /nfs/dbraw/zinc/02/58/21/329025821.db2.gz VZWPHEKKVOLROI-OALUTQOASA-N 1 1 299.414 2.828 20 30 CFEDMO CC(C)(C#N)CC(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000377782645 329029184 /nfs/dbraw/zinc/02/91/84/329029184.db2.gz FBANNHBZRCORMD-AWEZNQCLSA-N 1 1 291.439 2.840 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000378164832 329042086 /nfs/dbraw/zinc/04/20/86/329042086.db2.gz UVXSPHVBTPYXIA-BLLLJJGKSA-N 1 1 296.374 2.868 20 30 CFEDMO Fc1ccc(C#CC[N@H+]2CCCC[C@@H]2Cn2cccn2)cc1 ZINC000378221061 329043282 /nfs/dbraw/zinc/04/32/82/329043282.db2.gz LDNSWXHEYWDYPB-GOSISDBHSA-N 1 1 297.377 2.928 20 30 CFEDMO C#CCC[N@@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000378323072 329046190 /nfs/dbraw/zinc/04/61/90/329046190.db2.gz ISEDVFLBTKKJAZ-UHFFFAOYSA-N 1 1 285.347 2.598 20 30 CFEDMO C=CCCC[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000378385593 329048237 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329208301 /nfs/dbraw/zinc/20/83/01/329208301.db2.gz CQMPRZZXSPKIHP-UHFFFAOYSA-N 1 1 286.419 2.922 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000181261913 329228391 /nfs/dbraw/zinc/22/83/91/329228391.db2.gz PZPBEXGXXUSPMA-ZDUSSCGKSA-N 1 1 252.402 2.674 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000181116404 329226393 /nfs/dbraw/zinc/22/63/93/329226393.db2.gz HAUYGOWJTHVEAK-ARFHVFGLSA-N 1 1 293.455 2.857 20 30 CFEDMO C=C(C)C[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181249110 329227552 /nfs/dbraw/zinc/22/75/52/329227552.db2.gz WWQMMJDAGBVGHS-UHFFFAOYSA-N 1 1 297.742 2.695 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181249110 329227554 /nfs/dbraw/zinc/22/75/54/329227554.db2.gz WWQMMJDAGBVGHS-UHFFFAOYSA-N 1 1 297.742 2.695 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000181264782 329228386 /nfs/dbraw/zinc/22/83/86/329228386.db2.gz DTCPRMLSZBVDBG-MGPQQGTHSA-N 1 1 252.402 2.672 20 30 CFEDMO 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/nfs/dbraw/zinc/43/98/94/618439894.db2.gz OLBJEMYWJXQVHU-UHFFFAOYSA-N 1 1 281.303 2.997 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC12CCC2 ZINC001024683318 618440873 /nfs/dbraw/zinc/44/08/73/618440873.db2.gz OXWJHIHMKXCCKT-GJZGRUSLSA-N 1 1 276.424 2.723 20 30 CFEDMO Cc1cc(CO[NH+]=C(N)C23CC4CC(CC(C4)C2)C3)no1 ZINC000177547940 618446511 /nfs/dbraw/zinc/44/65/11/618446511.db2.gz ZQEHGYCXGGEMNQ-UHFFFAOYSA-N 1 1 289.379 2.988 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001024706574 618449728 /nfs/dbraw/zinc/44/97/28/618449728.db2.gz CMGDBYYCGGUCMX-YESZJQIVSA-N 1 1 290.451 2.969 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)CC2CCCCC2)C1 ZINC001006663326 618455701 /nfs/dbraw/zinc/45/57/01/618455701.db2.gz AVDLXNRKIAFIFP-INIZCTEOSA-N 1 1 276.424 2.561 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH]cc1C1CC1 ZINC001024739266 618457403 /nfs/dbraw/zinc/45/74/03/618457403.db2.gz ZMJRMSKPTDJHGV-AWEZNQCLSA-N 1 1 287.407 2.662 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001024773025 618466989 /nfs/dbraw/zinc/46/69/89/618466989.db2.gz AEDOYSFSASHRKJ-QGZVFWFLSA-N 1 1 284.403 2.603 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)cc1 ZINC001024774281 618467519 /nfs/dbraw/zinc/46/75/19/618467519.db2.gz PTLMIDAMVZDHLY-MRXNPFEDSA-N 1 1 272.392 2.765 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(CC)cc1 ZINC001024787068 618469576 /nfs/dbraw/zinc/46/95/76/618469576.db2.gz WNXHEHXFAOVOTM-GOSISDBHSA-N 1 1 298.430 2.857 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccn1C(C)C ZINC001024804504 618475150 /nfs/dbraw/zinc/47/51/50/618475150.db2.gz TYMYKNNINWXAAQ-OAHLLOKOSA-N 1 1 289.423 2.839 20 30 CFEDMO Cc1ccc(NN=Cc2ccc(OCC[NH+](C)C)cc2)nc1 ZINC000727260210 618475868 /nfs/dbraw/zinc/47/58/68/618475868.db2.gz SVPLDHLPICAHOB-UHFFFAOYSA-N 1 1 298.390 2.776 20 30 CFEDMO Cc1n[nH]c(C[N@@H+](C)CCc2cccc(C#N)c2)c1C ZINC000895452080 618594724 /nfs/dbraw/zinc/59/47/24/618594724.db2.gz PUHZAWPOQYXYAS-UHFFFAOYSA-N 1 1 268.364 2.573 20 30 CFEDMO CC(C)CCC(N)=[NH+]OCC(=O)Nc1ccc(F)c(F)c1 ZINC000066374549 618609804 /nfs/dbraw/zinc/60/98/04/618609804.db2.gz KIPSNALWLIRRLR-UHFFFAOYSA-N 1 1 299.321 2.628 20 30 CFEDMO C#CC[N@@H+](CC(=O)NCC1CCC1)[C@H]1CCc2ccccc21 ZINC000066494544 618619278 /nfs/dbraw/zinc/61/92/78/618619278.db2.gz QXGJCEMYLIFXOG-SFHVURJKSA-N 1 1 296.414 2.525 20 30 CFEDMO C#CC[N@H+](CC(=O)NCC1CCC1)[C@H]1CCc2ccccc21 ZINC000066494544 618619280 /nfs/dbraw/zinc/61/92/80/618619280.db2.gz QXGJCEMYLIFXOG-SFHVURJKSA-N 1 1 296.414 2.525 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCNCC#Cc1ccccc1 ZINC000892572138 618637646 /nfs/dbraw/zinc/63/76/46/618637646.db2.gz GMFLVJQLBJGNSC-MRXNPFEDSA-N 1 1 256.393 2.502 20 30 CFEDMO C[C@@H]1CCCCN1CC[NH2+]CC#Cc1ccccc1 ZINC000892572138 618637647 /nfs/dbraw/zinc/63/76/47/618637647.db2.gz GMFLVJQLBJGNSC-MRXNPFEDSA-N 1 1 256.393 2.502 20 30 CFEDMO C=C1CCC(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000892596496 618647539 /nfs/dbraw/zinc/64/75/39/618647539.db2.gz QQGPWAPQGPKMCO-JKSUJKDBSA-N 1 1 276.424 2.866 20 30 CFEDMO C#CC[N@H+](C[C@H](C)COC)[C@H]1CCc2ccccc21 ZINC000249170258 618651187 /nfs/dbraw/zinc/65/11/87/618651187.db2.gz AUEKCPACQVJCFL-YOEHRIQHSA-N 1 1 257.377 2.892 20 30 CFEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001017726786 618669827 /nfs/dbraw/zinc/66/98/27/618669827.db2.gz VWRKWLCIBMJDRM-QKPAOTATSA-N 1 1 290.451 2.920 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@H]1C(C)(C)C ZINC001017726786 618669828 /nfs/dbraw/zinc/66/98/28/618669828.db2.gz VWRKWLCIBMJDRM-QKPAOTATSA-N 1 1 290.451 2.920 20 30 CFEDMO C#CCCCCC(=O)O[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000180752699 618673013 /nfs/dbraw/zinc/67/30/13/618673013.db2.gz MEBWZHZKZMUIEW-QGZVFWFLSA-N 1 1 285.387 2.998 20 30 CFEDMO C=C(CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC000935985633 618726864 /nfs/dbraw/zinc/72/68/64/618726864.db2.gz MLLZREBNVDBUHL-INIZCTEOSA-N 1 1 272.392 2.689 20 30 CFEDMO Cc1cc(F)c(C#N)c(N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000892749215 618739198 /nfs/dbraw/zinc/73/91/98/618739198.db2.gz MBHBCDSYKXLTAX-OLZOCXBDSA-N 1 1 273.355 2.679 20 30 CFEDMO C=C1CCC(C(=O)O[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000892832397 618754645 /nfs/dbraw/zinc/75/46/45/618754645.db2.gz GVDIKXUTFNUNMI-LBPRGKRZSA-N 1 1 262.353 2.870 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000784409460 618775264 /nfs/dbraw/zinc/77/52/64/618775264.db2.gz AEPZIGUVUJPVHO-UHFFFAOYSA-N 1 1 290.386 2.673 20 30 CFEDMO Cc1ccc(C#N)cc1OCCCc1c[nH+]cn1C ZINC000314154348 618778040 /nfs/dbraw/zinc/77/80/40/618778040.db2.gz RQLKYVUVTCPKNX-UHFFFAOYSA-N 1 1 255.321 2.612 20 30 CFEDMO Cc1nc(C[NH2+]Cc2ccc(OCC#N)cc2)cs1 ZINC000040443852 618782928 /nfs/dbraw/zinc/78/29/28/618782928.db2.gz AEPGSJVBQGVWGW-UHFFFAOYSA-N 1 1 273.361 2.644 20 30 CFEDMO C=CC(C)(C)CC(=O)O[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000892961888 618783777 /nfs/dbraw/zinc/78/37/77/618783777.db2.gz NZEZLRIRUQRDDZ-CHWSQXEVSA-N 1 1 251.370 2.759 20 30 CFEDMO Cc1cc(C#N)ccc1N1CCC2(CCC[N@@H+]2C)CC1 ZINC000893091663 618828167 /nfs/dbraw/zinc/82/81/67/618828167.db2.gz DEKCFDNUWMHOLL-UHFFFAOYSA-N 1 1 269.392 2.931 20 30 CFEDMO CCCCCCCCC[N@@H+](C)CN1CC(=O)N(C)C1=O ZINC000182273165 618892981 /nfs/dbraw/zinc/89/29/81/618892981.db2.gz HLAVPALGRJCABZ-UHFFFAOYSA-N 1 1 283.416 2.520 20 30 CFEDMO C=CCC[N@H+]1CCC[C@@H](NC(=O)CC2CCCC2)C1 ZINC001006621689 618914867 /nfs/dbraw/zinc/91/48/67/618914867.db2.gz IZIPWHOENBDUIC-OAHLLOKOSA-N 1 1 264.413 2.723 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)c2cccs2)C1 ZINC001006624243 618917487 /nfs/dbraw/zinc/91/74/87/618917487.db2.gz KBSTZFKDQWGMSV-ZDUSSCGKSA-N 1 1 278.421 2.909 20 30 CFEDMO N#C[C@H]1CCC[N@H+](CCCOCc2ccccc2)C1 ZINC000309978851 618917994 /nfs/dbraw/zinc/91/79/94/618917994.db2.gz TVTBWEFVFYRHEX-MRXNPFEDSA-N 1 1 258.365 2.829 20 30 CFEDMO N#C[C@H]1CCC[N@@H+](CCCOCc2ccccc2)C1 ZINC000309978851 618917996 /nfs/dbraw/zinc/91/79/96/618917996.db2.gz TVTBWEFVFYRHEX-MRXNPFEDSA-N 1 1 258.365 2.829 20 30 CFEDMO N#CC1(CCCC[N@H+]2CCC[C@@H]3COC[C@@H]32)CCC1 ZINC000930702991 618928112 /nfs/dbraw/zinc/92/81/12/618928112.db2.gz ZQCXDNDIJFMPIJ-CABCVRRESA-N 1 1 262.397 2.961 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[NH+]1C[C@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931314037 618940505 /nfs/dbraw/zinc/94/05/05/618940505.db2.gz ITDZQWFZKONITO-JLSDUUJJSA-N 1 1 283.419 2.893 20 30 CFEDMO C=CC[N@H+]1CCC[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001008890737 618973977 /nfs/dbraw/zinc/97/39/77/618973977.db2.gz DUZFKCLKICDFDU-LBPRGKRZSA-N 1 1 293.436 2.647 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)c2csc(C(C)C)n2)C1 ZINC001008890737 618973979 /nfs/dbraw/zinc/97/39/79/618973979.db2.gz DUZFKCLKICDFDU-LBPRGKRZSA-N 1 1 293.436 2.647 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001009099135 618978803 /nfs/dbraw/zinc/97/88/03/618978803.db2.gz WEWQDUJMBHLEHF-QGZVFWFLSA-N 1 1 284.403 2.637 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(C)C)c2)C1 ZINC001009099135 618978805 /nfs/dbraw/zinc/97/88/05/618978805.db2.gz WEWQDUJMBHLEHF-QGZVFWFLSA-N 1 1 284.403 2.637 20 30 CFEDMO N#CCc1cccc(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)c1 ZINC000909368678 619011939 /nfs/dbraw/zinc/01/19/39/619011939.db2.gz YSQPMBHTERCFNT-HZPDHXFCSA-N 1 1 283.375 2.708 20 30 CFEDMO Cc1nnsc1[C@@H](C)[N@@H+](C)CCc1cccc(C#N)c1 ZINC000931508401 619016119 /nfs/dbraw/zinc/01/61/19/619016119.db2.gz DJDLTFXCKKGTNN-GFCCVEGCSA-N 1 1 286.404 2.954 20 30 CFEDMO C=CCCCN(CC)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000893612874 619097226 /nfs/dbraw/zinc/09/72/26/619097226.db2.gz BYZOGEKXXFBYMF-INIZCTEOSA-N 1 1 295.471 2.962 20 30 CFEDMO CC[N@@H+](Cc1cncc(C#N)c1)[C@@H](CO)c1ccccc1 ZINC000931701695 619097859 /nfs/dbraw/zinc/09/78/59/619097859.db2.gz YZIAEXSAIMBGKV-KRWDZBQOSA-N 1 1 281.359 2.509 20 30 CFEDMO CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1sccc1C#N ZINC000931833862 619124822 /nfs/dbraw/zinc/12/48/22/619124822.db2.gz FEIPAOYGVOYANH-UHFFFAOYSA-N 1 1 294.424 2.862 20 30 CFEDMO CCCN(C(=O)Nc1sccc1C#N)[C@@H]1CC[N@@H+](C)C1 ZINC000931835030 619125722 /nfs/dbraw/zinc/12/57/22/619125722.db2.gz KSGNMCQDJHMHPR-GFCCVEGCSA-N 1 1 292.408 2.568 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932201998 619206909 /nfs/dbraw/zinc/20/69/09/619206909.db2.gz RZGACXGAIOCVKR-KBPBESRZSA-N 1 1 280.437 2.725 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1c2c(nn1C)CCSC2 ZINC000893876607 619233592 /nfs/dbraw/zinc/23/35/92/619233592.db2.gz BFDNJTLKRXQGNK-UHFFFAOYSA-N 1 1 265.426 2.607 20 30 CFEDMO CC[N@@H+](CCNC(=S)Nc1ccccc1C#N)C(C)C ZINC000726493564 619249216 /nfs/dbraw/zinc/24/92/16/619249216.db2.gz HJRGSGSMUQZYHN-UHFFFAOYSA-N 1 1 290.436 2.575 20 30 CFEDMO C=CC[C@H](C)[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000878118607 619253621 /nfs/dbraw/zinc/25/36/21/619253621.db2.gz QMFYQJWOCXYGOY-QWRGUYRKSA-N 1 1 251.292 2.994 20 30 CFEDMO C=CCc1cc(C[N@@H+]2CCC[C@@H](OC)C2)c(O)c(OC)c1 ZINC000178886471 619269490 /nfs/dbraw/zinc/26/94/90/619269490.db2.gz ASDLUOMPHAGHRI-OAHLLOKOSA-N 1 1 291.391 2.740 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCCCC[C@@H]2CCO)cs1 ZINC000894295910 619314079 /nfs/dbraw/zinc/31/40/79/619314079.db2.gz SYDZDKVTODETSB-CYBMUJFWSA-N 1 1 264.394 2.747 20 30 CFEDMO C=CC[NH+]1CCC(N[C@H](CC)c2cccc(OC)n2)CC1 ZINC000924983706 619316831 /nfs/dbraw/zinc/31/68/31/619316831.db2.gz IJZMMHRCYIMXQC-OAHLLOKOSA-N 1 1 289.423 2.781 20 30 CFEDMO C=CC[NH+]1CCC(N[C@@H]2CCc3c2nccc3Cl)CC1 ZINC000924984237 619317023 /nfs/dbraw/zinc/31/70/23/619317023.db2.gz PXBMWUVFMHDMFB-OAHLLOKOSA-N 1 1 291.826 2.962 20 30 CFEDMO Cn1nccc1C1=CC[N@H+](Cc2csc(C#N)c2)CC1 ZINC000894394883 619366464 /nfs/dbraw/zinc/36/64/64/619366464.db2.gz TVMYXPMVMRLFOR-UHFFFAOYSA-N 1 1 284.388 2.643 20 30 CFEDMO Cn1nccc1C1=CC[N@@H+](Cc2csc(C#N)c2)CC1 ZINC000894394883 619366465 /nfs/dbraw/zinc/36/64/65/619366465.db2.gz TVMYXPMVMRLFOR-UHFFFAOYSA-N 1 1 284.388 2.643 20 30 CFEDMO CCCC[N@@H+](CCCO)Cc1csc(C#N)c1 ZINC000894475495 619396093 /nfs/dbraw/zinc/39/60/93/619396093.db2.gz WTDRNWVGFLVWLF-UHFFFAOYSA-N 1 1 252.383 2.604 20 30 CFEDMO Cc1cnn([C@H]2CC[N@H+](Cc3csc(C#N)c3)C2)c1 ZINC000894557207 619415605 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XXEZCYGDTYREDW-PRHODGIISA-N 1 1 263.728 2.866 20 30 CFEDMO CCn1cnc(C[NH2+][C@H]2CCc3cc(C#N)ccc32)c1 ZINC000902531501 621119019 /nfs/dbraw/zinc/11/90/19/621119019.db2.gz XGCPFEUJEZHSCT-INIZCTEOSA-N 1 1 266.348 2.552 20 30 CFEDMO C[C@]1(C#N)C[N@H+](Cn2ccc(=S)c3ccccc32)CCO1 ZINC000902585015 621131747 /nfs/dbraw/zinc/13/17/47/621131747.db2.gz BPHORBWHUXALGG-INIZCTEOSA-N 1 1 299.399 2.943 20 30 CFEDMO C[C@]1(C#N)C[N@@H+](Cn2ccc(=S)c3ccccc32)CCO1 ZINC000902585015 621131748 /nfs/dbraw/zinc/13/17/48/621131748.db2.gz BPHORBWHUXALGG-INIZCTEOSA-N 1 1 299.399 2.943 20 30 CFEDMO C=CCc1cc(C[N@H+](C)[C@@H]2CC[C@H]2OC)c(O)c(OC)c1 ZINC000902636020 621140284 /nfs/dbraw/zinc/14/02/84/621140284.db2.gz DGMIBLYIJPSMLM-HUUCEWRRSA-N 1 1 291.391 2.739 20 30 CFEDMO C=CCCC[N@H+](CC)CN1C[C@H](c2ccccn2)CC1=O ZINC000902670017 621148634 /nfs/dbraw/zinc/14/86/34/621148634.db2.gz WZOKSYZVZUHZCV-OAHLLOKOSA-N 1 1 287.407 2.643 20 30 CFEDMO CC(C)C[C@@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)N(C)C ZINC000902740307 621156435 /nfs/dbraw/zinc/15/64/35/621156435.db2.gz RKZYXECHRALTLD-HIFRSBDPSA-N 1 1 274.412 2.580 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1cc(C#N)ccn1 ZINC000902720779 621156594 /nfs/dbraw/zinc/15/65/94/621156594.db2.gz OSUVEKJTNYUECE-LLVKDONJSA-N 1 1 281.315 2.533 20 30 CFEDMO C=CCC[C@@H]([NH2+]CCCN(C)C)[C@]1(C)CCCCO1 ZINC000902720357 621156645 /nfs/dbraw/zinc/15/66/45/621156645.db2.gz IIDFKGFXVOQBBM-CVEARBPZSA-N 1 1 268.445 2.822 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cc(C#N)ccn1 ZINC000902721162 621156764 /nfs/dbraw/zinc/15/67/64/621156764.db2.gz VGICSFVAHHPSQF-NWDGAFQWSA-N 1 1 252.321 2.760 20 30 CFEDMO Cc1ccc(C[NH2+][C@H](C)c2cc(C#N)ccn2)cn1 ZINC000902750629 621164479 /nfs/dbraw/zinc/16/44/79/621164479.db2.gz JVTZUUVAHUSVRR-GFCCVEGCSA-N 1 1 252.321 2.508 20 30 CFEDMO C[C@@H](N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902766077 621169403 /nfs/dbraw/zinc/16/94/03/621169403.db2.gz XNABGRRLFBIFOI-QLFBSQMISA-N 1 1 286.423 2.724 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)CN1CCC[C@@H](C)C1)c1cc(C#N)ccn1 ZINC000902766077 621169404 /nfs/dbraw/zinc/16/94/04/621169404.db2.gz XNABGRRLFBIFOI-QLFBSQMISA-N 1 1 286.423 2.724 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1cc(C#N)ccn1 ZINC000902793106 621178223 /nfs/dbraw/zinc/17/82/23/621178223.db2.gz FPQXWNOQAHPEEO-XHDPSFHLSA-N 1 1 279.343 2.997 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cc(C#N)ccn1 ZINC000902888877 621199792 /nfs/dbraw/zinc/19/97/92/621199792.db2.gz XQVNISOHXGWQIK-SCLBCKFNSA-N 1 1 292.386 2.791 20 30 CFEDMO Cc1cncc(C[NH2+][C@@H](C)c2cc(C#N)ccn2)c1 ZINC000902889215 621200316 /nfs/dbraw/zinc/20/03/16/621200316.db2.gz DVBYVWXKVVGIDY-LBPRGKRZSA-N 1 1 252.321 2.508 20 30 CFEDMO CCCn1cc([C@H](C)[NH2+][C@H]2CCc3cc(C#N)ccc32)nn1 ZINC000902974767 621221551 /nfs/dbraw/zinc/22/15/51/621221551.db2.gz BANLNWGEGGRISK-LRDDRELGSA-N 1 1 295.390 2.898 20 30 CFEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CCC2)cc1O ZINC000903034734 621230756 /nfs/dbraw/zinc/23/07/56/621230756.db2.gz CBMFKZYWKVCOPL-LLVKDONJSA-N 1 1 260.337 2.745 20 30 CFEDMO Cc1cc(C[NH2+][C@H](C)c2cc(C#N)ccn2)cc(C)n1 ZINC000903023327 621233844 /nfs/dbraw/zinc/23/38/44/621233844.db2.gz PTCDXIVYZNDJCB-CYBMUJFWSA-N 1 1 266.348 2.816 20 30 CFEDMO CC[C@H]([NH2+]Cc1nn(CC)nc1C)c1cccc(C#N)c1 ZINC000903025634 621234453 /nfs/dbraw/zinc/23/44/53/621234453.db2.gz GIMFKGKOOCMXJC-HNNXBMFYSA-N 1 1 283.379 2.719 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3[nH]ccc3C3CC3)CCC[C@@H]12 ZINC000991019280 621268422 /nfs/dbraw/zinc/26/84/22/621268422.db2.gz MLZSYEAYRCLRRJ-CRAIPNDOSA-N 1 1 299.418 2.805 20 30 CFEDMO N#CC1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CCCC1 ZINC000903221692 621292930 /nfs/dbraw/zinc/29/29/30/621292930.db2.gz RYTOQPRIBGCRBE-VHRNVKJDSA-N 1 1 273.424 2.818 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000903453596 621387307 /nfs/dbraw/zinc/38/73/07/621387307.db2.gz DBWFBRWBQNJZAS-SFHVURJKSA-N 1 1 283.419 2.751 20 30 CFEDMO C=CCN(Cc1cccs1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903718418 621425335 /nfs/dbraw/zinc/42/53/35/621425335.db2.gz MEMMRSGPAYQAET-ZBFHGGJFSA-N 1 1 292.448 2.505 20 30 CFEDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)CC1 ZINC000832738021 625503154 /nfs/dbraw/zinc/50/31/54/625503154.db2.gz DFBNMNQESNJSHX-MRXNPFEDSA-N 1 1 288.391 2.837 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2ncc(C)s2)no1 ZINC000904732170 621632900 /nfs/dbraw/zinc/63/29/00/621632900.db2.gz MILRMTXELXESGT-SECBINFHSA-N 1 1 264.354 2.858 20 30 CFEDMO C[N@H+]1CC[C@@H]1C/N=C/c1c(O)ccc2ccccc21 ZINC000905001905 621680115 /nfs/dbraw/zinc/68/01/15/621680115.db2.gz CWKBKOLQVRLHDK-VVBXCHJUSA-N 1 1 254.333 2.668 20 30 CFEDMO C[N@H+]1CC[C@H]1C/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000905003501 621680155 /nfs/dbraw/zinc/68/01/55/621680155.db2.gz TZQYUDWOXZBVNH-YSIZRHRHSA-N 1 1 273.163 2.822 20 30 CFEDMO CN1CC[C@H]1C/N=C\c1cc(Cl)cc(Cl)c1[O-] ZINC000905003501 621680156 /nfs/dbraw/zinc/68/01/56/621680156.db2.gz TZQYUDWOXZBVNH-YSIZRHRHSA-N 1 1 273.163 2.822 20 30 CFEDMO COc1cc2c(cc1OC)[C@H]([NH2+]CCC#N)CCCC2 ZINC000905438455 621772027 /nfs/dbraw/zinc/77/20/27/621772027.db2.gz KLBWDLAKEXVQQY-CQSZACIVSA-N 1 1 274.364 2.975 20 30 CFEDMO N#C[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000905719445 621829088 /nfs/dbraw/zinc/82/90/88/621829088.db2.gz KCNBXSSOVUTLPA-GFCCVEGCSA-N 1 1 256.349 2.616 20 30 CFEDMO N#C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000905719445 621829092 /nfs/dbraw/zinc/82/90/92/621829092.db2.gz KCNBXSSOVUTLPA-GFCCVEGCSA-N 1 1 256.349 2.616 20 30 CFEDMO C#CC[N@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C(C)C ZINC000905750113 621832603 /nfs/dbraw/zinc/83/26/03/621832603.db2.gz RVLPSUHZZYJCBB-UHFFFAOYSA-N 1 1 298.346 2.759 20 30 CFEDMO C#CC[N@@H+](Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1)C(C)C ZINC000905750113 621832607 /nfs/dbraw/zinc/83/26/07/621832607.db2.gz RVLPSUHZZYJCBB-UHFFFAOYSA-N 1 1 298.346 2.759 20 30 CFEDMO C=CC[C@@H]([NH2+]C[C@H](CC)CC(F)(F)F)C(=O)OC ZINC000905770820 621859562 /nfs/dbraw/zinc/85/95/62/621859562.db2.gz DQAFAGCLWUCVCC-NXEZZACHSA-N 1 1 267.291 2.672 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)n1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000905807714 621868905 /nfs/dbraw/zinc/86/89/05/621868905.db2.gz MXMCHWZEVOSEKW-ZDUSSCGKSA-N 1 1 297.406 2.989 20 30 CFEDMO C=CC[C@@H]([NH2+]CC1(SC)CCCCC1)C(=O)OC ZINC000905833301 621872733 /nfs/dbraw/zinc/87/27/33/621872733.db2.gz CXZFDROSDWOENN-GFCCVEGCSA-N 1 1 271.426 2.760 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000905966236 621906691 /nfs/dbraw/zinc/90/66/91/621906691.db2.gz MLBXUACUEXEMCZ-YOEHRIQHSA-N 1 1 299.418 2.857 20 30 CFEDMO N#CC1(C[C@H](O)C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)CCC1 ZINC000905956486 621911749 /nfs/dbraw/zinc/91/17/49/621911749.db2.gz MJVBIGTZMDPPOU-HRCADAONSA-N 1 1 274.408 2.552 20 30 CFEDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccsc1C#N ZINC000906686825 622030888 /nfs/dbraw/zinc/03/08/88/622030888.db2.gz UVJOYCNGKWVJPB-LBPRGKRZSA-N 1 1 291.420 2.614 20 30 CFEDMO C=CC[C@H](CC)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000907963640 622178085 /nfs/dbraw/zinc/17/80/85/622178085.db2.gz WWYWNNDIZVUMLS-KGLIPLIRSA-N 1 1 252.402 2.579 20 30 CFEDMO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000908261425 622209347 /nfs/dbraw/zinc/20/93/47/622209347.db2.gz JADCBVFCNBSEPQ-GIOUXUJVSA-N 1 1 291.439 2.551 20 30 CFEDMO CCN(CC)c1ccc(C[NH2+]C[C@H](C)C#N)cc1F ZINC000183836729 625548314 /nfs/dbraw/zinc/54/83/14/625548314.db2.gz LMSFHTCLRQTWHB-GFCCVEGCSA-N 1 1 263.360 2.921 20 30 CFEDMO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000908287331 622213295 /nfs/dbraw/zinc/21/32/95/622213295.db2.gz JADCBVFCNBSEPQ-ARAOSMHQSA-N 1 1 291.439 2.551 20 30 CFEDMO CCCCC(N)=[NH+]OCc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000183960320 625562980 /nfs/dbraw/zinc/56/29/80/625562980.db2.gz PHKKYFZBFSDRMS-UHFFFAOYSA-N 1 1 299.302 2.722 20 30 CFEDMO C=CCC1(C(=O)N2CCC[N@H+](CC)C[C@@H]2C)CCC1 ZINC000910280869 622424593 /nfs/dbraw/zinc/42/45/93/622424593.db2.gz TYULSOWUTFGBLG-AWEZNQCLSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CC(C)(C)C(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910777728 622476935 /nfs/dbraw/zinc/47/69/35/622476935.db2.gz ONQLABFTCOKWDP-UHFFFAOYSA-N 1 1 284.403 2.686 20 30 CFEDMO C=CC(C)(C)C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910777728 622476947 /nfs/dbraw/zinc/47/69/47/622476947.db2.gz ONQLABFTCOKWDP-UHFFFAOYSA-N 1 1 284.403 2.686 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000184093632 625574646 /nfs/dbraw/zinc/57/46/46/625574646.db2.gz CJRSDRHTNHCWCH-GXTWGEPZSA-N 1 1 257.337 2.759 20 30 CFEDMO CN(CC[N@@H+](C)C1CCCCC1)c1ccnc(C#N)c1 ZINC000911752980 622547189 /nfs/dbraw/zinc/54/71/89/622547189.db2.gz VXQRRYGMOZEDGA-UHFFFAOYSA-N 1 1 272.396 2.654 20 30 CFEDMO C[C@@H](CC(C)(C)C#N)[NH2+]C1CCN(C2CCC2)CC1 ZINC000924843690 622613008 /nfs/dbraw/zinc/61/30/08/622613008.db2.gz LURWGSKZTOJPHT-ZDUSSCGKSA-N 1 1 263.429 2.921 20 30 CFEDMO C=C(C)C(C)(C)C(=O)O[C@H](C)Cn1cc[nH+]c1C ZINC000820226254 622631970 /nfs/dbraw/zinc/63/19/70/622631970.db2.gz IPZHFNJGPJUODR-LLVKDONJSA-N 1 1 250.342 2.726 20 30 CFEDMO C=CCC[C@@H]1CCCN1C(=O)NC[C@@H]1CC[N@H+](CCC)C1 ZINC000912254420 622673652 /nfs/dbraw/zinc/67/36/52/622673652.db2.gz VFIULJPCLTYSOU-JKSUJKDBSA-N 1 1 293.455 2.859 20 30 CFEDMO C#CCCCOc1cccnc1NCCCn1cc[nH+]c1C ZINC000820665464 622731923 /nfs/dbraw/zinc/73/19/23/622731923.db2.gz ZGKNWPRECSJVFG-UHFFFAOYSA-N 1 1 298.390 2.881 20 30 CFEDMO C=CCCC(C)(C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000912728607 622769468 /nfs/dbraw/zinc/76/94/68/622769468.db2.gz HTACDJIDPNCVSZ-KGLIPLIRSA-N 1 1 264.413 2.864 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)Cc3ccccc3)CCC[C@@H]12 ZINC000991415843 622790153 /nfs/dbraw/zinc/79/01/53/622790153.db2.gz LRWXCXRRUJESMS-SJLPKXTDSA-N 1 1 284.403 2.528 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3[nH]c(C)cc3C)CCC[C@@H]12 ZINC000991419953 622811792 /nfs/dbraw/zinc/81/17/92/622811792.db2.gz ZGQXSCWQNRGQHG-RHSMWYFYSA-N 1 1 287.407 2.544 20 30 CFEDMO C#CC[C@@H]([NH2+]Cc1snnc1C)c1ccccc1 ZINC000821221785 622873144 /nfs/dbraw/zinc/87/31/44/622873144.db2.gz XUQCUGCNHAXQGU-CYBMUJFWSA-N 1 1 257.362 2.701 20 30 CFEDMO CCCCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000821305724 622890312 /nfs/dbraw/zinc/89/03/12/622890312.db2.gz AZEALPRVKVZTQP-CQSZACIVSA-N 1 1 254.418 2.805 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+](C)CCCOC)c1O ZINC000164215327 622942321 /nfs/dbraw/zinc/94/23/21/622942321.db2.gz YFKMRFOWJWVHJR-UHFFFAOYSA-N 1 1 279.380 2.598 20 30 CFEDMO C[N@@H+](CCCC(C)(C)C#N)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000821599312 622952847 /nfs/dbraw/zinc/95/28/47/622952847.db2.gz OLLHJJYZMCRPRH-UHFFFAOYSA-N 1 1 298.394 2.628 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2cc(F)cc(F)c2)no1 ZINC000822711442 623157368 /nfs/dbraw/zinc/15/73/68/623157368.db2.gz HMDKSPFETCNGIM-LLVKDONJSA-N 1 1 278.262 2.708 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc(CC2CCCCC2)no1 ZINC000822761152 623168812 /nfs/dbraw/zinc/16/88/12/623168812.db2.gz ZKTLHHMPZPPAGW-LBPRGKRZSA-N 1 1 262.357 2.886 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc([C@@H]2CCOc3ccccc32)no1 ZINC000822802930 623177669 /nfs/dbraw/zinc/17/76/69/623177669.db2.gz DRABWTLLKLYDAM-CHWSQXEVSA-N 1 1 298.346 2.678 20 30 CFEDMO N#CCCC[C@H]([NH3+])c1nc([C@@H]2CCCCS2)no1 ZINC000822887777 623197402 /nfs/dbraw/zinc/19/74/02/623197402.db2.gz WIEHKKDSXYMBQR-UWVGGRQHSA-N 1 1 266.370 2.721 20 30 CFEDMO C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000229413535 623202928 /nfs/dbraw/zinc/20/29/28/623202928.db2.gz LOTLHXOMESCABM-UMPJEAMMSA-N 1 1 272.392 2.958 20 30 CFEDMO C=CC[N@@H+](CCOC)CC[C@H]1CC1(Cl)Cl ZINC000822962483 623210978 /nfs/dbraw/zinc/21/09/78/623210978.db2.gz TVHDIIYRDHLUMZ-JTQLQIEISA-N 1 1 252.185 2.705 20 30 CFEDMO CN(C(=O)CO[NH+]=C(N)C1CCCCC1)c1ccccc1 ZINC000063458930 623352281 /nfs/dbraw/zinc/35/22/81/623352281.db2.gz NGARCIJNPNCGSL-UHFFFAOYSA-N 1 1 289.379 2.519 20 30 CFEDMO C[N@@H+](C[C@](C)(O)c1ccccc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000823605950 623359885 /nfs/dbraw/zinc/35/98/85/623359885.db2.gz ORYRYDRJOUCSFZ-BMFZPTHFSA-N 1 1 258.365 2.518 20 30 CFEDMO C=CCCC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000173915840 623375602 /nfs/dbraw/zinc/37/56/02/623375602.db2.gz BUISNNLIWZJZHD-CYBMUJFWSA-N 1 1 268.401 2.894 20 30 CFEDMO C=CCCC[N@H+](C)CN1C[C@@H](CC(C)C)CC1=O ZINC000174078189 623385352 /nfs/dbraw/zinc/38/53/52/623385352.db2.gz RTMIXKRQMSJRAA-AWEZNQCLSA-N 1 1 252.402 2.737 20 30 CFEDMO C#Cc1ccc(C(=O)N[C@]23CCC[C@@H]2[N@@H+](CCC)CC3)cc1 ZINC000992097774 623454661 /nfs/dbraw/zinc/45/46/61/623454661.db2.gz DQYCWQFPFPOLKC-HKUYNNGSSA-N 1 1 296.414 2.805 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3cc[nH]c3C3CC3)CCC[C@H]12 ZINC000992128111 623462961 /nfs/dbraw/zinc/46/29/61/623462961.db2.gz WOIAHKFHXQPFIP-YJBOKZPZSA-N 1 1 299.418 2.805 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@]2(NC(=O)[C@H]3C[C@@H]3C)CCC[C@@H]12 ZINC000992146876 623469273 /nfs/dbraw/zinc/46/92/73/623469273.db2.gz UFYCICMURMSVHN-MUYACECFSA-N 1 1 282.815 2.508 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)[C@H]3C[C@@H]3C)CCC[C@@H]12 ZINC000992146876 623469278 /nfs/dbraw/zinc/46/92/78/623469278.db2.gz UFYCICMURMSVHN-MUYACECFSA-N 1 1 282.815 2.508 20 30 CFEDMO C=C1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CCF)CC3)CC1 ZINC000992152822 623470739 /nfs/dbraw/zinc/47/07/39/623470739.db2.gz NIWIXGQCAZFQFN-WBVHZDCISA-N 1 1 294.414 2.816 20 30 CFEDMO C=C1CCC(C(=O)N[C@]23CCC[C@H]2[N@@H+](CC)CC3)CC1 ZINC000992155769 623472900 /nfs/dbraw/zinc/47/29/00/623472900.db2.gz ULEKBWJZPBNDEV-WBVHZDCISA-N 1 1 276.424 2.866 20 30 CFEDMO C#CC[N@H+]1CC[C@]2(NC(=O)c3ccccc3CC)CCC[C@H]12 ZINC000992158405 623473916 /nfs/dbraw/zinc/47/39/16/623473916.db2.gz IMYPYAPJZSDNMZ-PKOBYXMFSA-N 1 1 296.414 2.609 20 30 CFEDMO C#CC[N@H+]1CC[C@]2(NC(=O)[C@H]3CCC(C)(C)C3)CCC[C@H]12 ZINC000992158675 623474161 /nfs/dbraw/zinc/47/41/61/623474161.db2.gz DTLPEKOZGQDNAS-RLFYNMQTSA-N 1 1 288.435 2.559 20 30 CFEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@H]12 ZINC000992189784 623481142 /nfs/dbraw/zinc/48/11/42/623481142.db2.gz OHXCHKRHMSYHNO-XLMAVXFVSA-N 1 1 288.435 2.559 20 30 CFEDMO C#CCC[N@H+]1CC[C@]2(NC(=O)[C@@H]3C[C@H]3CCC)CCC[C@@H]12 ZINC000992189793 623481298 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C=CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000769708911 627468513 /nfs/dbraw/zinc/46/85/13/627468513.db2.gz MZSSGXYLXHTSPX-UHFFFAOYSA-N 1 1 274.324 2.868 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000769960956 627490209 /nfs/dbraw/zinc/49/02/09/627490209.db2.gz HLZYYIGQVNCOFA-CYBMUJFWSA-N 1 1 259.349 2.705 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000769960968 627491805 /nfs/dbraw/zinc/49/18/05/627491805.db2.gz IMQLUGRSQGYNAQ-CVEARBPZSA-N 1 1 298.430 2.767 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000769960968 627491807 /nfs/dbraw/zinc/49/18/07/627491807.db2.gz IMQLUGRSQGYNAQ-CVEARBPZSA-N 1 1 298.430 2.767 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000769963006 627492253 /nfs/dbraw/zinc/49/22/53/627492253.db2.gz OLPDFNWYENQKMQ-DNVCBOLYSA-N 1 1 298.430 2.988 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CC(=O)N[C@H](c1ccccc1)C1CCCC1 ZINC000769963006 627492255 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C[C@@H](CC#N)NN=C1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000771888341 627643431 /nfs/dbraw/zinc/64/34/31/627643431.db2.gz JYXBQVOPRXVBFH-GJZGRUSLSA-N 1 1 284.407 2.776 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)[C@@H]1CCCO1 ZINC000851949449 634604170 /nfs/dbraw/zinc/60/41/70/634604170.db2.gz DWZBCJMUYKOBHC-OCCSQVGLSA-N 1 1 299.292 2.698 20 30 CFEDMO C#CCCCCC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000773400196 627814943 /nfs/dbraw/zinc/81/49/43/627814943.db2.gz KMDPHJFUAQSFDU-LSDHHAIUSA-N 1 1 264.413 2.511 20 30 CFEDMO C=C(CC)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000773432458 627819114 /nfs/dbraw/zinc/81/91/14/627819114.db2.gz PYVRKVBGKSWUGO-ZDUSSCGKSA-N 1 1 268.401 2.894 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1ccc(C#N)cc1F ZINC000774345200 627917867 /nfs/dbraw/zinc/91/78/67/627917867.db2.gz BPGGMLOFVKHNGT-MNOVXSKESA-N 1 1 272.327 2.843 20 30 CFEDMO C=CCCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774905474 627978333 /nfs/dbraw/zinc/97/83/33/627978333.db2.gz ODQADPXQKNKRMD-UHFFFAOYSA-N 1 1 280.324 2.707 20 30 CFEDMO C=CCCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774905474 627978334 /nfs/dbraw/zinc/97/83/34/627978334.db2.gz ODQADPXQKNKRMD-UHFFFAOYSA-N 1 1 280.324 2.707 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(Br)cc(OC)c1O ZINC000775179710 627998274 /nfs/dbraw/zinc/99/82/74/627998274.db2.gz PAKCGSWAAOPJHR-SECBINFHSA-N 1 1 298.180 2.617 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc(Cl)cc2c1OCC2)[C@H]1CCCO1 ZINC000775340820 628011437 /nfs/dbraw/zinc/01/14/37/628011437.db2.gz IJQPVTXCTXHBGO-LSDHHAIUSA-N 1 1 291.778 2.545 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1ccc(OC)cc1Cl)[C@H]1CCCO1 ZINC000775340269 628011766 /nfs/dbraw/zinc/01/17/66/628011766.db2.gz GKQMIUXHQUVWQJ-HUUCEWRRSA-N 1 1 279.767 2.619 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc(Cl)ccc1F)[C@H]1CCCO1 ZINC000775345917 628013999 /nfs/dbraw/zinc/01/39/99/628013999.db2.gz ROQWYFGLXMMXNY-UONOGXRCSA-N 1 1 267.731 2.750 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc2ccccc2o1)[C@H]1CCCO1 ZINC000775348100 628014429 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C#C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000775790624 628068246 /nfs/dbraw/zinc/06/82/46/628068246.db2.gz QUHVVRQGRQAXGY-GXTWGEPZSA-N 1 1 294.738 2.519 20 30 CFEDMO C#CC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000775843678 628074319 /nfs/dbraw/zinc/07/43/19/628074319.db2.gz HXIMYBXZRNFOSW-MCIONIFRSA-N 1 1 263.381 2.594 20 30 CFEDMO C#CC[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC(C)(C)C ZINC000775843678 628074323 /nfs/dbraw/zinc/07/43/23/628074323.db2.gz HXIMYBXZRNFOSW-MCIONIFRSA-N 1 1 263.381 2.594 20 30 CFEDMO CC[C@@]1(C)COCC[N@H+]1Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000775981637 628090282 /nfs/dbraw/zinc/09/02/82/628090282.db2.gz SDLMXXMUHZLNFK-YOEHRIQHSA-N 1 1 288.391 2.978 20 30 CFEDMO C=C(Cl)CNC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000776079661 628099857 /nfs/dbraw/zinc/09/98/57/628099857.db2.gz DGOPASZLFHMXDX-CYBMUJFWSA-N 1 1 295.814 2.559 20 30 CFEDMO CCc1cc(C[NH2+][C@H](C)c2ccc(OCC#N)cc2)on1 ZINC000776163901 628109595 /nfs/dbraw/zinc/10/95/95/628109595.db2.gz 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C#CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](F)C2)cc1 ZINC000779151118 628356395 /nfs/dbraw/zinc/35/63/95/628356395.db2.gz VKUFETKNJIUBJU-CJNGLKHVSA-N 1 1 261.340 2.879 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+]1C[C@@H](O)[C@@H](CC)C1 ZINC000779168235 628357586 /nfs/dbraw/zinc/35/75/86/628357586.db2.gz MRRJTPBLSPDCAO-SWLSCSKDSA-N 1 1 293.794 2.555 20 30 CFEDMO C=CC[N@H+](C)Cc1cc2ccccc2nc1N1CCOCC1 ZINC000779188532 628359144 /nfs/dbraw/zinc/35/91/44/628359144.db2.gz SHFRVXQRWGBCMJ-UHFFFAOYSA-N 1 1 297.402 2.689 20 30 CFEDMO C[C@@H]1C[NH+]=C(NN=Cc2sc3ccccc3c2Cl)N1 ZINC000779797777 628407851 /nfs/dbraw/zinc/40/78/51/628407851.db2.gz JSJSBMWNIMMGFU-MRVPVSSYSA-N 1 1 292.795 2.826 20 30 CFEDMO CSc1ccc(C(C)=NNC2=[NH+]C[C@@H](C)N2)c(Cl)c1 ZINC000779798890 628407889 /nfs/dbraw/zinc/40/78/89/628407889.db2.gz QXPQQNVCYBGQQQ-MRVPVSSYSA-N 1 1 296.827 2.723 20 30 CFEDMO Fc1ccc(Br)c(C=NNc2cc[nH+]cc2)c1 ZINC000779808541 628408584 /nfs/dbraw/zinc/40/85/84/628408584.db2.gz BPGZSRVRUVJJNP-UHFFFAOYSA-N 1 1 294.127 2.851 20 30 CFEDMO CCOc1ccccc1C(C)=NNc1cc[nH+]cc1 ZINC000779809200 628408882 /nfs/dbraw/zinc/40/88/82/628408882.db2.gz MMWCJVNCXPJVQE-UHFFFAOYSA-N 1 1 255.321 2.738 20 30 CFEDMO CCC(=NNc1cc[nH+]cc1)c1ccc2c(c1)CCO2 ZINC000779810461 628409119 /nfs/dbraw/zinc/40/91/19/628409119.db2.gz BRZNIGDEHUFMIR-UHFFFAOYSA-N 1 1 267.332 2.665 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1ccc2c(c1)OCCCO2 ZINC000779809891 628409151 /nfs/dbraw/zinc/40/91/51/628409151.db2.gz XASDWZAGRWVZPM-UHFFFAOYSA-N 1 1 283.331 2.501 20 30 CFEDMO CSCC(=NNc1cc[nH+]cc1)c1ccccc1 ZINC000779810457 628409201 /nfs/dbraw/zinc/40/92/01/628409201.db2.gz BQHJTZKQQPJNFE-UHFFFAOYSA-N 1 1 257.362 2.683 20 30 CFEDMO Cc1ccc2c(c1)OCCCC2=NNc1cc[nH+]cc1 ZINC000779810854 628409296 /nfs/dbraw/zinc/40/92/96/628409296.db2.gz JZVGAXOWVIWBIL-UHFFFAOYSA-N 1 1 267.332 2.801 20 30 CFEDMO CCOc1cc(C=NNc2cc[nH+]cc2)cc(Cl)c1O ZINC000779810033 628409365 /nfs/dbraw/zinc/40/93/65/628409365.db2.gz XYSXPRJVOUSQCE-UHFFFAOYSA-N 1 1 291.738 2.707 20 30 CFEDMO FC(F)COc1ccc(C=NNc2cc[nH+]cc2)cc1 ZINC000779810834 628409415 /nfs/dbraw/zinc/40/94/15/628409415.db2.gz JDXWDXLXOVOFGR-UHFFFAOYSA-N 1 1 277.274 2.593 20 30 CFEDMO CC(=NNc1cc[nH+]cc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000779811378 628409827 /nfs/dbraw/zinc/40/98/27/628409827.db2.gz PYYJPJNWPMPUPS-UHFFFAOYSA-N 1 1 294.358 2.569 20 30 CFEDMO COc1cccc(C=NNc2cc[nH+]cc2)c1OC(F)F ZINC000779811379 628409956 /nfs/dbraw/zinc/40/99/56/628409956.db2.gz GJTCHOJZLPQJGD-UHFFFAOYSA-N 1 1 293.273 2.560 20 30 CFEDMO C[C@@H]1CC(N=Nc2ccc3n[nH]cc3c2)C[N@H+]1C1CC1 ZINC000779817104 628410277 /nfs/dbraw/zinc/41/02/77/628410277.db2.gz BVUKCRNJKVOOPT-SNVBAGLBSA-N 1 1 269.352 2.587 20 30 CFEDMO C#C[C@](C)(CC)[NH2+]Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000852099691 634654503 /nfs/dbraw/zinc/65/45/03/634654503.db2.gz CPSHIXVWXGGYNF-OAHLLOKOSA-N 1 1 289.766 2.880 20 30 CFEDMO C#CCCCCCC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000780016084 628427004 /nfs/dbraw/zinc/42/70/04/628427004.db2.gz CMNAMGALPMIZCV-CABCVRRESA-N 1 1 264.413 2.511 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000852101221 634655531 /nfs/dbraw/zinc/65/55/31/634655531.db2.gz OPYYSDZBVNOTEA-SJCJKPOMSA-N 1 1 288.391 2.797 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000780328743 628455493 /nfs/dbraw/zinc/45/54/93/628455493.db2.gz DVMTYQIVVZDQBJ-NSHDSACASA-N 1 1 282.303 2.712 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+]Cc1c(Cl)n(C)nc1C(F)(F)F ZINC000852101826 634656782 /nfs/dbraw/zinc/65/67/82/634656782.db2.gz UQEPDFNUJMTGHU-NSHDSACASA-N 1 1 293.720 2.984 20 30 CFEDMO C#CCCCCCC(=O)NCCCCn1cc[nH+]c1C ZINC000780547707 628473577 /nfs/dbraw/zinc/47/35/77/628473577.db2.gz NQQYBBPXEYDCFU-UHFFFAOYSA-N 1 1 275.396 2.672 20 30 CFEDMO C[C@H](C#N)Oc1ccccc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000780745254 628492546 /nfs/dbraw/zinc/49/25/46/628492546.db2.gz PBBHASFZADPWJR-MCIONIFRSA-N 1 1 273.380 2.872 20 30 CFEDMO Cc1[nH+]c(C=NNc2ccnc(F)c2)c2ccccn12 ZINC000781134011 628525503 /nfs/dbraw/zinc/52/55/03/628525503.db2.gz OJUCSUVNBVKUQT-UHFFFAOYSA-N 1 1 269.283 2.623 20 30 CFEDMO CO[C@@H](C[NH2+][C@H](C)c1ccc(C#N)cc1F)C(F)(F)F ZINC000781420766 628547491 /nfs/dbraw/zinc/54/74/91/628547491.db2.gz DWCGHCNWCBMNAU-PELKAZGASA-N 1 1 290.260 2.925 20 30 CFEDMO C[C@H]1C(=O)N(C[NH+]2CCC(CC#N)CC2)[C@@H]1c1ccccc1 ZINC000781572693 628560836 /nfs/dbraw/zinc/56/08/36/628560836.db2.gz UTYVTEDFRARNSG-PBHICJAKSA-N 1 1 297.402 2.789 20 30 CFEDMO CC(C)(C)c1ccc(N[NH+]=Cc2cnc(N)nc2)cc1 ZINC000781595517 628563354 /nfs/dbraw/zinc/56/33/54/628563354.db2.gz RLPXSTRPRIIPAD-UHFFFAOYSA-N 1 1 269.352 2.802 20 30 CFEDMO CCc1nn(C)c(Cl)c1C[NH+]1CCC(CC#N)CC1 ZINC000781925807 628591428 /nfs/dbraw/zinc/59/14/28/628591428.db2.gz AQYHVMPRXMYKCW-UHFFFAOYSA-N 1 1 280.803 2.762 20 30 CFEDMO CCCCCCCC[N@H+]1CCN(CCO)C(C)(C)C1 ZINC000781964214 628594284 /nfs/dbraw/zinc/59/42/84/628594284.db2.gz YBYQXSSAPYHKHE-UHFFFAOYSA-N 1 1 270.461 2.735 20 30 CFEDMO COc1ncc(C[NH+]2CCC(CC#N)CC2)cc1Cl ZINC000782089430 628603726 /nfs/dbraw/zinc/60/37/26/628603726.db2.gz VBHLLPYXPVVLJS-UHFFFAOYSA-N 1 1 279.771 2.869 20 30 CFEDMO COc1ccc(N=NC2C[C@H](C)[N@@H+](C)C2)cc1Cl ZINC000782231750 628617815 /nfs/dbraw/zinc/61/78/15/628617815.db2.gz XTXHPXJBCOFSCE-VIFPVBQESA-N 1 1 267.760 2.841 20 30 CFEDMO COC(=O)c1ccc(N=NC2C[C@H](C)[N@@H+](C)C2)cc1Cl ZINC000782238497 628618426 /nfs/dbraw/zinc/61/84/26/628618426.db2.gz PLQVDCMIPKEWDI-VIFPVBQESA-N 1 1 295.770 2.619 20 30 CFEDMO C#CCOCC[N@H+](C)[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000852148355 634670812 /nfs/dbraw/zinc/67/08/12/634670812.db2.gz VKTRAPVZGXWMIO-WKILWMFISA-N 1 1 273.376 2.523 20 30 CFEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)c(OC)c1 ZINC000783299519 628699095 /nfs/dbraw/zinc/69/90/95/628699095.db2.gz DENWPIQEPCPBAB-GFCCVEGCSA-N 1 1 297.358 2.821 20 30 CFEDMO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccccc1Cl ZINC000783533417 628718325 /nfs/dbraw/zinc/71/83/25/628718325.db2.gz ZSXKCQIIPXYMAT-NSHDSACASA-N 1 1 287.812 2.591 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCOCC3(CC3)C2)cc1 ZINC000783598895 628725376 /nfs/dbraw/zinc/72/53/76/628725376.db2.gz DPBWXSOKOHTCMH-CQSZACIVSA-N 1 1 286.375 2.590 20 30 CFEDMO C#CCOCC[N@@H+]1CCCC[C@H]1CCC(=O)OC(C)(C)C ZINC000852176187 634681234 /nfs/dbraw/zinc/68/12/34/634681234.db2.gz AWJSCPJCAFBXRO-HNNXBMFYSA-N 1 1 295.423 2.613 20 30 CFEDMO C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC(C)(C)C1 ZINC000784352580 628808540 /nfs/dbraw/zinc/80/85/40/628808540.db2.gz XXMCKMCIAXICKA-BBRMVZONSA-N 1 1 272.392 2.960 20 30 CFEDMO CCC#C[C@@H](C)[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000784399553 628814278 /nfs/dbraw/zinc/81/42/78/628814278.db2.gz DZBUBISHZSZCDC-CQSZACIVSA-N 1 1 275.371 2.535 20 30 CFEDMO C#CCOCC[N@@H+]1CCCC[C@H]1Cc1ccc(OC)cc1 ZINC000852210973 634690192 /nfs/dbraw/zinc/69/01/92/634690192.db2.gz CXTOEVYFFRIINF-KRWDZBQOSA-N 1 1 287.403 2.742 20 30 CFEDMO C=C(C)CC[N@@H+]1CCCC[C@@H]1COC(=O)NCCC ZINC000805776910 628880265 /nfs/dbraw/zinc/88/02/65/628880265.db2.gz WNKPPGQHECHSRW-CQSZACIVSA-N 1 1 268.401 2.943 20 30 CFEDMO C=C[C@](C)(CC)C(=O)NCCn1cc[nH+]c1C(C)C ZINC000785409975 628880517 /nfs/dbraw/zinc/88/05/17/628880517.db2.gz NOHVLJRNMAXGEQ-OAHLLOKOSA-N 1 1 263.385 2.725 20 30 CFEDMO C=CC[N@@H+](C[C@H](C)NC(=O)OC(C)(C)C)C(C)C ZINC000785440602 628883741 /nfs/dbraw/zinc/88/37/41/628883741.db2.gz DHLQJFHICXUBBF-LBPRGKRZSA-N 1 1 256.390 2.796 20 30 CFEDMO C=CCCCCC[N@@H+](C)Cn1cc2[nH]cccc-2c1=O ZINC000785506902 628890153 /nfs/dbraw/zinc/89/01/53/628890153.db2.gz WPDVWRKTMNXGFF-UHFFFAOYSA-N 1 1 273.380 2.673 20 30 CFEDMO C=CCCCCC[N@H+](C)Cn1cc2[nH]cccc-2c1=O ZINC000785506902 628890155 /nfs/dbraw/zinc/89/01/55/628890155.db2.gz WPDVWRKTMNXGFF-UHFFFAOYSA-N 1 1 273.380 2.673 20 30 CFEDMO CC[C@@H](C)[N@@H+](CCO)Cc1cc(Cl)ccc1OCC#N ZINC000805789351 628919074 /nfs/dbraw/zinc/91/90/74/628919074.db2.gz BJJBUCYWGCHLIJ-GFCCVEGCSA-N 1 1 296.798 2.835 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000785998265 628929785 /nfs/dbraw/zinc/92/97/85/628929785.db2.gz BDMFAKKPTCZKEE-HOTGVXAUSA-N 1 1 256.349 2.632 20 30 CFEDMO CC[C@H](C)Oc1cc(C[NH2+]CCC#N)ccc1OC ZINC000787298146 629005529 /nfs/dbraw/zinc/00/55/29/629005529.db2.gz HCWKYRXLXSCDMW-LBPRGKRZSA-N 1 1 262.353 2.876 20 30 CFEDMO COC(=O)c1occc1C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000787333263 629008121 /nfs/dbraw/zinc/00/81/21/629008121.db2.gz SSGMKYRDWPDGFM-OAHLLOKOSA-N 1 1 296.326 2.715 20 30 CFEDMO C#Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000787771670 629034174 /nfs/dbraw/zinc/03/41/74/629034174.db2.gz SKWJUQQRGPSKCH-WMLDXEAASA-N 1 1 256.393 2.582 20 30 CFEDMO C#Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000787771670 629034175 /nfs/dbraw/zinc/03/41/75/629034175.db2.gz SKWJUQQRGPSKCH-WMLDXEAASA-N 1 1 256.393 2.582 20 30 CFEDMO C#Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000787771670 629034189 /nfs/dbraw/zinc/03/41/89/629034189.db2.gz SKWJUQQRGPSKCH-WMLDXEAASA-N 1 1 256.393 2.582 20 30 CFEDMO C#Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000787771670 629034191 /nfs/dbraw/zinc/03/41/91/629034191.db2.gz SKWJUQQRGPSKCH-WMLDXEAASA-N 1 1 256.393 2.582 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CCCOCCc1ccccc1 ZINC000787997329 629047261 /nfs/dbraw/zinc/04/72/61/629047261.db2.gz KJIHVRKNUOUPKG-UHFFFAOYSA-N 1 1 259.393 2.979 20 30 CFEDMO C#CCC1(C(=O)NCC[N@H+](C)C2CCCC2)CCCCC1 ZINC000788204813 629050099 /nfs/dbraw/zinc/05/00/99/629050099.db2.gz KAKHHJJDMFAKGX-UHFFFAOYSA-N 1 1 290.451 2.951 20 30 CFEDMO C#CCC1(C(=O)N2CC[N@H+](C)[C@@H](C)[C@H]2C)CCCCC1 ZINC000788238326 629052688 /nfs/dbraw/zinc/05/26/88/629052688.db2.gz LJDQQENWEBXAOL-LSDHHAIUSA-N 1 1 276.424 2.511 20 30 CFEDMO CC#CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000788305486 629057492 /nfs/dbraw/zinc/05/74/92/629057492.db2.gz BZEUFIGDOJLVJY-HNNXBMFYSA-N 1 1 276.424 2.513 20 30 CFEDMO C#CCC1(C(=O)NCCNc2cccc(C)[nH+]2)CCCCC1 ZINC000788513224 629077136 /nfs/dbraw/zinc/07/71/36/629077136.db2.gz XBWFWYVLLQWWMV-UHFFFAOYSA-N 1 1 299.418 2.892 20 30 CFEDMO CCCCOc1ccc(C(C)=NN2CC[NH+](C)CC2)cc1 ZINC000788928904 629109629 /nfs/dbraw/zinc/10/96/29/629109629.db2.gz NWZQLPTXHGLTAA-UHFFFAOYSA-N 1 1 289.423 2.837 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)CCCCCO ZINC000789762870 629186365 /nfs/dbraw/zinc/18/63/65/629186365.db2.gz XHOMYYFMKWXXLK-UHFFFAOYSA-N 1 1 295.810 2.946 20 30 CFEDMO CC[C@H](C)NN=C1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000790183845 629216723 /nfs/dbraw/zinc/21/67/23/629216723.db2.gz VWJJGTHIHFFCEE-KGLIPLIRSA-N 1 1 259.397 2.882 20 30 CFEDMO CC[C@H](C)NN=C1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000790183845 629216725 /nfs/dbraw/zinc/21/67/25/629216725.db2.gz VWJJGTHIHFFCEE-KGLIPLIRSA-N 1 1 259.397 2.882 20 30 CFEDMO C#CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1c(C)cccc1C ZINC000852312414 634717985 /nfs/dbraw/zinc/71/79/85/634717985.db2.gz KXFXFIZVJHWVBM-MRXNPFEDSA-N 1 1 284.403 2.580 20 30 CFEDMO COc1cccc(/C=N/C[C@H]2[N@@H+](C)CCCC2(C)C)c1O ZINC000790599068 629251361 /nfs/dbraw/zinc/25/13/61/629251361.db2.gz RTGSKZMXMYTEDZ-CLXYIWAZSA-N 1 1 290.407 2.940 20 30 CFEDMO Cc1cc(C)cc([C@H](O)C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000852319061 634720208 /nfs/dbraw/zinc/72/02/08/634720208.db2.gz GHCSMHJIPBDFDV-NVXWUHKLSA-N 1 1 272.392 2.963 20 30 CFEDMO Cc1ccc(N2CC[C@@H]([N@@H+]3CCC[C@H](CC#N)C3)C2=O)cc1 ZINC000852320133 634720688 /nfs/dbraw/zinc/72/06/88/634720688.db2.gz WXHNSZFGZJKPKO-NVXWUHKLSA-N 1 1 297.402 2.726 20 30 CFEDMO Cc1ccc(N2CC[C@@H]([N@H+]3CCC[C@H](CC#N)C3)C2=O)cc1 ZINC000852320133 634720690 /nfs/dbraw/zinc/72/06/90/634720690.db2.gz WXHNSZFGZJKPKO-NVXWUHKLSA-N 1 1 297.402 2.726 20 30 CFEDMO C=CCN(C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)C(C)C ZINC000790888656 629270199 /nfs/dbraw/zinc/27/01/99/629270199.db2.gz OSZWRWNFLGGZKK-AWEZNQCLSA-N 1 1 281.444 2.713 20 30 CFEDMO CCN(C)c1ccc(C[NH2+]Cc2cc(C#N)ccc2F)cn1 ZINC000790974916 629276103 /nfs/dbraw/zinc/27/61/03/629276103.db2.gz ZUXREHIPYAJFLI-UHFFFAOYSA-N 1 1 298.365 2.838 20 30 CFEDMO C#C[C@H](CCC)NC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000791016913 629280808 /nfs/dbraw/zinc/28/08/08/629280808.db2.gz HZMIRJNMIDORIG-HUUCEWRRSA-N 1 1 293.455 2.598 20 30 CFEDMO N#C[C@@]1(c2ccccn2)CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000852330153 634723733 /nfs/dbraw/zinc/72/37/33/634723733.db2.gz ATUDNVIFNLDIHA-WBVHZDCISA-N 1 1 285.391 2.508 20 30 CFEDMO N#C[C@@]1(c2ccccn2)CCC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000852330153 634723735 /nfs/dbraw/zinc/72/37/35/634723735.db2.gz ATUDNVIFNLDIHA-WBVHZDCISA-N 1 1 285.391 2.508 20 30 CFEDMO C=C(C)CC[N@@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852332392 634723861 /nfs/dbraw/zinc/72/38/61/634723861.db2.gz RJHLHRUHBGIIAU-INIZCTEOSA-N 1 1 255.365 2.905 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@@](C#N)(c2ccccn2)C1 ZINC000852332392 634723865 /nfs/dbraw/zinc/72/38/65/634723865.db2.gz RJHLHRUHBGIIAU-INIZCTEOSA-N 1 1 255.365 2.905 20 30 CFEDMO C#CC[N@@H+](CC#CC)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000791469707 629319222 /nfs/dbraw/zinc/31/92/22/629319222.db2.gz BOHRISIIQHXMGD-HXUWFJFHSA-N 1 1 291.394 2.702 20 30 CFEDMO C#CC[N@H+](CC#CC)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000791469707 629319226 /nfs/dbraw/zinc/31/92/26/629319226.db2.gz BOHRISIIQHXMGD-HXUWFJFHSA-N 1 1 291.394 2.702 20 30 CFEDMO CCCCCCC[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000791586862 629336617 /nfs/dbraw/zinc/33/66/17/629336617.db2.gz ZJBXKARZDKVPSQ-GJZGRUSLSA-N 1 1 255.402 2.837 20 30 CFEDMO CCN(C)c1ccc(C[N@H+](CCC#N)CC(C)C)cn1 ZINC000792157278 629403416 /nfs/dbraw/zinc/40/34/16/629403416.db2.gz QMUHHJQBRLDNRM-UHFFFAOYSA-N 1 1 274.412 2.909 20 30 CFEDMO CCN(C)c1ccc(C[N@@H+](CCC#N)CC(C)C)cn1 ZINC000792157278 629403419 /nfs/dbraw/zinc/40/34/19/629403419.db2.gz QMUHHJQBRLDNRM-UHFFFAOYSA-N 1 1 274.412 2.909 20 30 CFEDMO C#CC[N@H+](C)CC1(COc2cccc(COC)c2)CCC1 ZINC000792302189 629419426 /nfs/dbraw/zinc/41/94/26/629419426.db2.gz PPBFTPWGDDVHBB-UHFFFAOYSA-N 1 1 287.403 2.947 20 30 CFEDMO C#CCNC(=O)C[N@H+](CC(C)C)[C@H](C)c1ccccc1C ZINC000792929437 629467533 /nfs/dbraw/zinc/46/75/33/629467533.db2.gz YFHNFNNPYNIRLE-MRXNPFEDSA-N 1 1 286.419 2.763 20 30 CFEDMO CC[C@@H](C)CO[NH+]=Cc1ccc(N2CCN(C)CC2)cc1 ZINC000793146446 629493050 /nfs/dbraw/zinc/49/30/50/629493050.db2.gz RVKZXOOOAVNZEZ-OAHLLOKOSA-N 1 1 289.423 2.835 20 30 CFEDMO CC[C@H](C)CO[NH+]=Cc1ccc(N2CCN(C)CC2)cc1 ZINC000793146445 629493176 /nfs/dbraw/zinc/49/31/76/629493176.db2.gz RVKZXOOOAVNZEZ-HNNXBMFYSA-N 1 1 289.423 2.835 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1 ZINC000793215758 629506649 /nfs/dbraw/zinc/50/66/49/629506649.db2.gz WLOCZOXHHONBBM-KDOFPFPSSA-N 1 1 285.387 2.698 20 30 CFEDMO C=CC[N@H+](CCC(=O)N1CCOc2ccccc21)C(C)C ZINC000794549566 629660024 /nfs/dbraw/zinc/66/00/24/629660024.db2.gz FYAXNCQUOYXRPL-UHFFFAOYSA-N 1 1 288.391 2.699 20 30 CFEDMO C[C@@H]1CC(N=Nc2cncnc2)C[N@H+]1Cc1ccccc1 ZINC000794976202 629713598 /nfs/dbraw/zinc/71/35/98/629713598.db2.gz GVKJRHZUOFIRSU-CYBMUJFWSA-N 1 1 281.363 2.539 20 30 CFEDMO C=CCN[NH+]=C(C)c1ccc(N2CCOCC2)cc1Cl ZINC000795004134 629721895 /nfs/dbraw/zinc/72/18/95/629721895.db2.gz UGRRREDODYEGEY-UHFFFAOYSA-N 1 1 293.798 2.676 20 30 CFEDMO C=C(C)CCO[NH+]=C(N)Cc1ccc(OC)c(OC)c1 ZINC000795206729 629745489 /nfs/dbraw/zinc/74/54/89/629745489.db2.gz ZHCCWWXHOPRNJF-UHFFFAOYSA-N 1 1 278.352 2.711 20 30 CFEDMO C=C(CC)C[N@@H+]1CCCC[C@H]1COC(=O)NCC ZINC000796163353 629884527 /nfs/dbraw/zinc/88/45/27/629884527.db2.gz NVPVMSFRLRTNBM-ZDUSSCGKSA-N 1 1 254.374 2.553 20 30 CFEDMO C[N@@H+](Cc1cc(Cl)ccc1OCC#N)[C@H]1CCCOC1 ZINC000796199069 629888807 /nfs/dbraw/zinc/88/88/07/629888807.db2.gz NLQAHUJYYXDBKR-AWEZNQCLSA-N 1 1 294.782 2.853 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CC2CC1(CNC(=O)OC(C)(C)C)C2 ZINC000852526926 634771583 /nfs/dbraw/zinc/77/15/83/634771583.db2.gz HQJCFTHKPXCWDS-CBCUQQMYSA-N 1 1 292.423 2.777 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccc(Cl)cc1OC)[C@H]1CCCO1 ZINC000796456919 629920452 /nfs/dbraw/zinc/92/04/52/629920452.db2.gz RQQZXXUFIYTFHI-UONOGXRCSA-N 1 1 279.767 2.619 20 30 CFEDMO C#CCOc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000796816891 629971355 /nfs/dbraw/zinc/97/13/55/629971355.db2.gz NBLJLGSGNUEUFU-RCCFBDPRSA-N 1 1 298.430 2.661 20 30 CFEDMO C#CCOc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000796816891 629971356 /nfs/dbraw/zinc/97/13/56/629971356.db2.gz NBLJLGSGNUEUFU-RCCFBDPRSA-N 1 1 298.430 2.661 20 30 CFEDMO CC[C@@H](C#N)Oc1cccc(C[NH2+][C@H](C)c2ncc[nH]2)c1 ZINC000796820340 629972341 /nfs/dbraw/zinc/97/23/41/629972341.db2.gz ZPEHNDKTMZWAID-OCCSQVGLSA-N 1 1 284.363 2.941 20 30 CFEDMO C[N@H+]1CC[C@H](NCc2cc(C#N)ccc2F)[C@@H]2CCC[C@@H]21 ZINC000796825249 629973987 /nfs/dbraw/zinc/97/39/87/629973987.db2.gz DLMQGGRJEIPVOU-XIRDDKMYSA-N 1 1 287.382 2.660 20 30 CFEDMO CC(C)c1c(Cl)ncnc1N=NC1C[C@@H](C)[N@@H+](C)C1 ZINC000797404399 630061642 /nfs/dbraw/zinc/06/16/42/630061642.db2.gz NLTCRYIYQDBNJO-SECBINFHSA-N 1 1 281.791 2.745 20 30 CFEDMO C=CC[NH+]1CCC(NCc2cc(C)nc(Cl)c2)CC1 ZINC000797599464 630085776 /nfs/dbraw/zinc/08/57/76/630085776.db2.gz KELRGTXHYJXSPP-UHFFFAOYSA-N 1 1 279.815 2.783 20 30 CFEDMO C[C@@H]1CC[N@@H+](CCCC#N)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000852599244 634790427 /nfs/dbraw/zinc/79/04/27/634790427.db2.gz IGASNMUFLQSVFU-KGLIPLIRSA-N 1 1 295.427 2.915 20 30 CFEDMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000798195789 630164380 /nfs/dbraw/zinc/16/43/80/630164380.db2.gz PTWLBZSYMSWFLR-RDBSUJKOSA-N 1 1 293.411 2.525 20 30 CFEDMO CC[C@@H]1C[N@@H+](C)CCCN1C(=O)/C=C\c1ccccc1C#N ZINC000798266914 630175408 /nfs/dbraw/zinc/17/54/08/630175408.db2.gz VJYWRFHSZHCWRB-DOOKAGJSSA-N 1 1 297.402 2.514 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](c3ccccn3)C2)o1 ZINC000798962030 630264958 /nfs/dbraw/zinc/26/49/58/630264958.db2.gz IHINVUZMRQRRBP-GFCCVEGCSA-N 1 1 253.305 2.536 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(O[C@H](C)C#N)cc2)CCCO1 ZINC000798965113 630265849 /nfs/dbraw/zinc/26/58/49/630265849.db2.gz SQOXLOWKHHRQOT-GDBMZVCRSA-N 1 1 288.391 2.978 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000852664073 634801434 /nfs/dbraw/zinc/80/14/34/634801434.db2.gz BMUAQDCUMZAULT-ZDUSSCGKSA-N 1 1 298.427 2.605 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000852664073 634801440 /nfs/dbraw/zinc/80/14/40/634801440.db2.gz BMUAQDCUMZAULT-ZDUSSCGKSA-N 1 1 298.427 2.605 20 30 CFEDMO Cc1ccc(N[NH2+]C2=CC(=O)N3CCCC[C@H]23)cc1 ZINC000799464580 630310975 /nfs/dbraw/zinc/31/09/75/630310975.db2.gz FDZVSTPPTOKMGE-CQSZACIVSA-N 1 1 257.337 2.548 20 30 CFEDMO CCCC[C@@H]1CCCC1=NNCCC[NH+]1CCOCC1 ZINC000799489541 630314644 /nfs/dbraw/zinc/31/46/44/630314644.db2.gz VCRISEJPVMDIAE-OAHLLOKOSA-N 1 1 281.444 2.645 20 30 CFEDMO Cc1ccc(C(=O)OCC[C@H]2CCCC[N@@H+]2C)cc1C#N ZINC000799547987 630320050 /nfs/dbraw/zinc/32/00/50/630320050.db2.gz BWCLKRZDOFUEOW-MRXNPFEDSA-N 1 1 286.375 2.898 20 30 CFEDMO Cc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1C#N ZINC000799644039 630327714 /nfs/dbraw/zinc/32/77/14/630327714.db2.gz CQXRYZCQXKOAEW-QGZVFWFLSA-N 1 1 299.418 2.813 20 30 CFEDMO CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)c(C#N)c2)C1 ZINC000799648173 630327872 /nfs/dbraw/zinc/32/78/72/630327872.db2.gz IRHKOXXQNUMNJV-HNNXBMFYSA-N 1 1 299.418 2.671 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852685786 634805876 /nfs/dbraw/zinc/80/58/76/634805876.db2.gz KHHHPIVHTZJQLW-IJEWVQPXSA-N 1 1 288.347 2.811 20 30 CFEDMO C[C@]1(C#N)CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852684290 634805885 /nfs/dbraw/zinc/80/58/85/634805885.db2.gz DEOLYQSULGJBHW-UONOGXRCSA-N 1 1 298.308 2.974 20 30 CFEDMO C[C@]1(C#N)CC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852684290 634805894 /nfs/dbraw/zinc/80/58/94/634805894.db2.gz DEOLYQSULGJBHW-UONOGXRCSA-N 1 1 298.308 2.974 20 30 CFEDMO C[C@@]1(C#N)CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852684288 634806494 /nfs/dbraw/zinc/80/64/94/634806494.db2.gz DEOLYQSULGJBHW-KGLIPLIRSA-N 1 1 298.308 2.974 20 30 CFEDMO C[C@@]1(C#N)CC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000852684288 634806496 /nfs/dbraw/zinc/80/64/96/634806496.db2.gz DEOLYQSULGJBHW-KGLIPLIRSA-N 1 1 298.308 2.974 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-n2ccnc2)nc1 ZINC000852685897 634807145 /nfs/dbraw/zinc/80/71/45/634807145.db2.gz MDRYCAPCEKBKPM-IYBDPMFKSA-N 1 1 280.375 2.950 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cnnn1-c1ccccc1 ZINC000852687370 634807461 /nfs/dbraw/zinc/80/74/61/634807461.db2.gz JIYFJZVUGNHDFK-IYBDPMFKSA-N 1 1 280.375 2.950 20 30 CFEDMO C#CC[N@H+](CCOCC(C)C)Cc1ccc(F)cc1 ZINC000800333931 630372093 /nfs/dbraw/zinc/37/20/93/630372093.db2.gz BYBBHKKMSKWBOV-UHFFFAOYSA-N 1 1 263.356 2.934 20 30 CFEDMO CCCCCCCCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852706905 634811184 /nfs/dbraw/zinc/81/11/84/634811184.db2.gz CMTZOMSSHDGQDX-KRWDZBQOSA-N 1 1 282.472 2.878 20 30 CFEDMO CCCCCCCCN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000852706905 634811187 /nfs/dbraw/zinc/81/11/87/634811187.db2.gz CMTZOMSSHDGQDX-KRWDZBQOSA-N 1 1 282.472 2.878 20 30 CFEDMO CCCCCCCC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000852706905 634811188 /nfs/dbraw/zinc/81/11/88/634811188.db2.gz CMTZOMSSHDGQDX-KRWDZBQOSA-N 1 1 282.472 2.878 20 30 CFEDMO C=C(Br)CNC(C)(C)C[N@H+](C)CCC ZINC000852715808 634813154 /nfs/dbraw/zinc/81/31/54/634813154.db2.gz YXNKKMYJUKGCOO-UHFFFAOYSA-N 1 1 263.223 2.605 20 30 CFEDMO CC(C)(C#N)CCCC[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562138 630458303 /nfs/dbraw/zinc/45/83/03/630458303.db2.gz WFMZGWWSNSKROT-LLVKDONJSA-N 1 1 260.328 2.672 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CCO[C@@H](C(F)F)C1 ZINC000801562138 630458306 /nfs/dbraw/zinc/45/83/06/630458306.db2.gz WFMZGWWSNSKROT-LLVKDONJSA-N 1 1 260.328 2.672 20 30 CFEDMO C#CCC[NH+]1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000801597964 630462103 /nfs/dbraw/zinc/46/21/03/630462103.db2.gz QWQDOAVWOHALPQ-INIZCTEOSA-N 1 1 287.794 2.546 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+](C)CCOc1ccccc1Cl ZINC000801909698 630484976 /nfs/dbraw/zinc/48/49/76/630484976.db2.gz FNYMPWCKGZJWRI-GFCCVEGCSA-N 1 1 282.771 2.579 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+](C)CCCOc1cccc(Cl)c1 ZINC000801912971 630485992 /nfs/dbraw/zinc/48/59/92/630485992.db2.gz KMGWISYNIIJNAD-ZDUSSCGKSA-N 1 1 296.798 2.969 20 30 CFEDMO CC(C)[N@@H+](CCO[C@@H](C)C#N)Cc1ccc(N(C)C)cc1 ZINC000801913304 630486086 /nfs/dbraw/zinc/48/60/86/630486086.db2.gz SKSUZQBPRUKWBU-HNNXBMFYSA-N 1 1 289.423 2.892 20 30 CFEDMO C[C@H](C#N)OCC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000801912454 630486158 /nfs/dbraw/zinc/48/61/58/630486158.db2.gz RKBLVCHNBDMEQD-ZIAGYGMSSA-N 1 1 294.420 2.658 20 30 CFEDMO CCS[C@H]1CCCC[N@@H+](CCO[C@@H](C)C#N)C1 ZINC000801919984 630487572 /nfs/dbraw/zinc/48/75/72/630487572.db2.gz KYFQGAWFGKDBMG-STQMWFEESA-N 1 1 256.415 2.523 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000801924985 630489718 /nfs/dbraw/zinc/48/97/18/630489718.db2.gz XKJHREJMEZYSTH-VYDXJSESSA-N 1 1 272.392 2.868 20 30 CFEDMO CCc1nc2c(s1)[C@@H]([N@@H+](C)CCO[C@H](C)C#N)CCC2 ZINC000801934482 630490924 /nfs/dbraw/zinc/49/09/24/630490924.db2.gz MTTCUYOHYUNHPE-YPMHNXCESA-N 1 1 293.436 2.943 20 30 CFEDMO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000801935254 630491741 /nfs/dbraw/zinc/49/17/41/630491741.db2.gz XIJQZXJTZNBIJR-CJNGLKHVSA-N 1 1 298.390 2.639 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H]1c1nc2ccccc2n1C ZINC000801935254 630491743 /nfs/dbraw/zinc/49/17/43/630491743.db2.gz XIJQZXJTZNBIJR-CJNGLKHVSA-N 1 1 298.390 2.639 20 30 CFEDMO CC(C)Oc1cccc(C[N@@H+](C)CCO[C@@H](C)C#N)c1 ZINC000801936451 630491843 /nfs/dbraw/zinc/49/18/43/630491843.db2.gz PTMPKSHRLCXQEB-AWEZNQCLSA-N 1 1 276.380 2.834 20 30 CFEDMO C#CC[N@H+](Cc1ccc(C)cc1-c1ccnn1C)C1CC1 ZINC000802650029 630534376 /nfs/dbraw/zinc/53/43/76/630534376.db2.gz SXPVHBARNBTPOE-UHFFFAOYSA-N 1 1 279.387 2.993 20 30 CFEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1CC[C@@H](C)C1=O ZINC000839978536 630545551 /nfs/dbraw/zinc/54/55/51/630545551.db2.gz SVTSGWZSLYWYBL-CQSZACIVSA-N 1 1 285.391 2.595 20 30 CFEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1CC[C@@H](C)C1=O ZINC000839978536 630545556 /nfs/dbraw/zinc/54/55/56/630545556.db2.gz SVTSGWZSLYWYBL-CQSZACIVSA-N 1 1 285.391 2.595 20 30 CFEDMO C#CCC[N@@H+](CCOC)Cc1cc(Cl)ccc1F ZINC000852748915 634823378 /nfs/dbraw/zinc/82/33/78/634823378.db2.gz KXBXWIBUWYXNEO-UHFFFAOYSA-N 1 1 269.747 2.951 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1cc(Cl)ccc1F ZINC000852748915 634823383 /nfs/dbraw/zinc/82/33/83/634823383.db2.gz KXBXWIBUWYXNEO-UHFFFAOYSA-N 1 1 269.747 2.951 20 30 CFEDMO C#CCC[N@H+](CCOC)C[C@H]1CCc2ccccc21 ZINC000852750898 634824396 /nfs/dbraw/zinc/82/43/96/634824396.db2.gz ITXBUFXQVREZCH-MRXNPFEDSA-N 1 1 257.377 2.688 20 30 CFEDMO C#CCC[N@H+](CCOC)Cc1ccccc1OC(C)C ZINC000852751984 634825286 /nfs/dbraw/zinc/82/52/86/634825286.db2.gz QIZZWYKDLHZRIG-UHFFFAOYSA-N 1 1 275.392 2.946 20 30 CFEDMO C=CCCC[N@@H+](C)CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000840000455 630614426 /nfs/dbraw/zinc/61/44/26/630614426.db2.gz PCASBPIRLUDAFZ-MRXNPFEDSA-N 1 1 299.418 2.991 20 30 CFEDMO C=CCCC[N@H+](C)CN1C(=O)C2(CCC2)[C@H]1c1cccnc1 ZINC000840000455 630614427 /nfs/dbraw/zinc/61/44/27/630614427.db2.gz PCASBPIRLUDAFZ-MRXNPFEDSA-N 1 1 299.418 2.991 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)OCCC(C)(C)C#N ZINC000803860303 630649741 /nfs/dbraw/zinc/64/97/41/630649741.db2.gz IRVSFHVNYFKNAC-CYBMUJFWSA-N 1 1 266.385 2.734 20 30 CFEDMO CCCC[C@H](ON=C(C)C)C(=O)N1CC[N@H+](CC)C[C@H]1C ZINC000804381254 630678149 /nfs/dbraw/zinc/67/81/49/630678149.db2.gz JYKIGJVRWXKZEC-CABCVRRESA-N 1 1 297.443 2.510 20 30 CFEDMO CCCC[C@H](ON=C(C)C)C(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000804381254 630678151 /nfs/dbraw/zinc/67/81/51/630678151.db2.gz JYKIGJVRWXKZEC-CABCVRRESA-N 1 1 297.443 2.510 20 30 CFEDMO Cc1cccc(NCCNc2nc(Cl)c(C#N)s2)[nH+]1 ZINC000804454628 630683155 /nfs/dbraw/zinc/68/31/55/630683155.db2.gz SPFYWTQESMWWCZ-UHFFFAOYSA-N 1 1 293.783 2.896 20 30 CFEDMO CC[N@@H+]1CCCC[C@H]1C(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC000836156594 630756367 /nfs/dbraw/zinc/75/63/67/630756367.db2.gz NHFJZITUZBYPHB-OFQRWUPVSA-N 1 1 278.396 2.876 20 30 CFEDMO CC[N@H+]1CCCC[C@H]1C(=O)O[C@H]1CC[C@@](C)(C#N)CC1 ZINC000836156594 630756370 /nfs/dbraw/zinc/75/63/70/630756370.db2.gz NHFJZITUZBYPHB-OFQRWUPVSA-N 1 1 278.396 2.876 20 30 CFEDMO C#CCN(Cc1ccccc1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000807754741 630908829 /nfs/dbraw/zinc/90/88/29/630908829.db2.gz BWZGJLZVAHOTCF-SFHVURJKSA-N 1 1 298.430 2.913 20 30 CFEDMO Cc1cc([N+](=O)[O-])ccc1N=NC1CCC[N@H+](C)CC1 ZINC000807989350 630932273 /nfs/dbraw/zinc/93/22/73/630932273.db2.gz MCRIYRBCLGNYKM-UHFFFAOYSA-N 1 1 276.340 2.787 20 30 CFEDMO C[C@@H]1CC(N=Nc2nccnc2C2CCC2)C[N@H+]1C1CC1 ZINC000807994507 630933909 /nfs/dbraw/zinc/93/39/09/630933909.db2.gz UFRTVCFOYIEFSX-LLVKDONJSA-N 1 1 285.395 2.769 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2ccccc2)CC1=NN[C@@H]1CCSC1 ZINC000808001429 630937581 /nfs/dbraw/zinc/93/75/81/630937581.db2.gz KNBGANPIPQSQHK-UKRRQHHQSA-N 1 1 289.448 2.589 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC1=NN[C@@H]1CCSC1 ZINC000808001429 630937584 /nfs/dbraw/zinc/93/75/84/630937584.db2.gz KNBGANPIPQSQHK-UKRRQHHQSA-N 1 1 289.448 2.589 20 30 CFEDMO C#Cc1cccc(CNC(=O)CC[N@H+](C)C2CCCCC2)c1 ZINC000837107814 630957294 /nfs/dbraw/zinc/95/72/94/630957294.db2.gz YFHRHMSEFKOROH-UHFFFAOYSA-N 1 1 298.430 2.939 20 30 CFEDMO N#CCC1CC[NH+](CN2CCN(c3ccccc3)C2=O)CC1 ZINC000808177144 630965190 /nfs/dbraw/zinc/96/51/90/630965190.db2.gz PEOKSCDHOYIMSL-UHFFFAOYSA-N 1 1 298.390 2.512 20 30 CFEDMO C#C[C@@H](NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)C(C)(C)C ZINC000808267849 630973887 /nfs/dbraw/zinc/97/38/87/630973887.db2.gz UDCDNCALIHNBJD-QLFBSQMISA-N 1 1 293.455 2.596 20 30 CFEDMO C#C[C@H](NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)C(C)(C)C ZINC000808316014 630978995 /nfs/dbraw/zinc/97/89/95/630978995.db2.gz DOYOBZGXJYJMTK-CVEARBPZSA-N 1 1 299.418 2.520 20 30 CFEDMO C#C[C@H](NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)C(C)(C)C ZINC000808316014 630978998 /nfs/dbraw/zinc/97/89/98/630978998.db2.gz DOYOBZGXJYJMTK-CVEARBPZSA-N 1 1 299.418 2.520 20 30 CFEDMO C#C[C@@H](NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)C(C)(C)C ZINC000808316017 630979141 /nfs/dbraw/zinc/97/91/41/630979141.db2.gz DOYOBZGXJYJMTK-JKSUJKDBSA-N 1 1 299.418 2.520 20 30 CFEDMO C#C[C@@H](NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)C(C)(C)C ZINC000808316017 630979144 /nfs/dbraw/zinc/97/91/44/630979144.db2.gz DOYOBZGXJYJMTK-JKSUJKDBSA-N 1 1 299.418 2.520 20 30 CFEDMO C[N@H+]1CCN(C(=O)C#CC(C)(C)C)C2(CCCCC2)C1 ZINC000837446134 631032484 /nfs/dbraw/zinc/03/24/84/631032484.db2.gz JZMGRBLUNVKFOQ-UHFFFAOYSA-N 1 1 276.424 2.513 20 30 CFEDMO CCCCCCCCC[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000808774366 631046217 /nfs/dbraw/zinc/04/62/17/631046217.db2.gz XHZWJMGMXSPAPO-CQSZACIVSA-N 1 1 254.418 2.934 20 30 CFEDMO C=CCOCCCC(=O)OC[C@@H]1CCCC[N@@H+]1C(C)C ZINC000837552051 631063345 /nfs/dbraw/zinc/06/33/45/631063345.db2.gz NCIJFPCBDDFBLD-HNNXBMFYSA-N 1 1 283.412 2.775 20 30 CFEDMO C[NH+](C)Cc1ccc(NC(=O)C#CC2CC2)cc1Cl ZINC000837591823 631079024 /nfs/dbraw/zinc/07/90/24/631079024.db2.gz FITWTNNHEXEJLF-UHFFFAOYSA-N 1 1 276.767 2.754 20 30 CFEDMO C#CCCCCC(=O)OCC[N@H+](C)Cc1ccccc1 ZINC000837610566 631084632 /nfs/dbraw/zinc/08/46/32/631084632.db2.gz DBDBCKZRTNXRKP-UHFFFAOYSA-N 1 1 273.376 2.855 20 30 CFEDMO N#Cc1ccc(-c2ccn(C[N@@H+]3C[C@@H]4C[C@H]3CS4)n2)cc1 ZINC000840169266 631107131 /nfs/dbraw/zinc/10/71/31/631107131.db2.gz VALKWGTYNNSFEQ-GJZGRUSLSA-N 1 1 296.399 2.569 20 30 CFEDMO N#Cc1ccc(-c2ccn(C[N@H+]3C[C@@H]4C[C@H]3CS4)n2)cc1 ZINC000840169266 631107134 /nfs/dbraw/zinc/10/71/34/631107134.db2.gz VALKWGTYNNSFEQ-GJZGRUSLSA-N 1 1 296.399 2.569 20 30 CFEDMO N#CC1(COC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCC1 ZINC000837689898 631108673 /nfs/dbraw/zinc/10/86/73/631108673.db2.gz ZABYGVMAAWDBKY-CQSZACIVSA-N 1 1 276.380 2.630 20 30 CFEDMO CC[C@@](C)(C#N)C(=O)OCC[N@@H+](C)Cc1ccccc1 ZINC000837722496 631115722 /nfs/dbraw/zinc/11/57/22/631115722.db2.gz PLVVVVWLAVLDFJ-INIZCTEOSA-N 1 1 274.364 2.601 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cc2n(n1)CCC2 ZINC000840712314 631175965 /nfs/dbraw/zinc/17/59/65/631175965.db2.gz APUVPWNAMPPFFU-GFCCVEGCSA-N 1 1 266.348 2.552 20 30 CFEDMO CCc1ccc(C(=O)/C=C\c2c[nH+]c(N(C)C)n2C)o1 ZINC000840716964 631176550 /nfs/dbraw/zinc/17/65/50/631176550.db2.gz PNRVFPPBRIKCQM-VURMDHGXSA-N 1 1 273.336 2.538 20 30 CFEDMO CC(C)CN(CCC#N)Cc1ncc(C[NH+](C)C)s1 ZINC000809537672 631230059 /nfs/dbraw/zinc/23/00/59/631230059.db2.gz AYPNRNZKJHRWAD-UHFFFAOYSA-N 1 1 280.441 2.576 20 30 CFEDMO N#CC[C@@H](O)C[N@H+]1CCC[C@H]1CC1CCCCC1 ZINC000809573569 631235168 /nfs/dbraw/zinc/23/51/68/631235168.db2.gz QMYSLLGCFLSDCF-LSDHHAIUSA-N 1 1 250.386 2.696 20 30 CFEDMO C[N@@H+](CCc1cccc2ccccc21)C[C@H](O)CC#N ZINC000809573091 631237308 /nfs/dbraw/zinc/23/73/08/631237308.db2.gz CSTCANWJNUFKMJ-MRXNPFEDSA-N 1 1 268.360 2.589 20 30 CFEDMO C#Cc1ccc(C[N@@H+](CC(=O)OC)C2CCCC2)cc1 ZINC000809583315 631241943 /nfs/dbraw/zinc/24/19/43/631241943.db2.gz KKEGEIOZQBZUGU-UHFFFAOYSA-N 1 1 271.360 2.586 20 30 CFEDMO C#Cc1ccc(C[N@H+](CC(=O)OC)C2CCCC2)cc1 ZINC000809583315 631241946 /nfs/dbraw/zinc/24/19/46/631241946.db2.gz KKEGEIOZQBZUGU-UHFFFAOYSA-N 1 1 271.360 2.586 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000809593308 631242770 /nfs/dbraw/zinc/24/27/70/631242770.db2.gz MXBRRNLAOCOBER-SJORKVTESA-N 1 1 255.361 2.669 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000809595797 631242957 /nfs/dbraw/zinc/24/29/57/631242957.db2.gz QOCJRPFXZUDIFC-QZTJIDSGSA-N 1 1 269.388 2.916 20 30 CFEDMO C#Cc1ccc(CN[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000809609638 631245821 /nfs/dbraw/zinc/24/58/21/631245821.db2.gz MKHSKCSNHYJKOJ-JKSUJKDBSA-N 1 1 270.420 2.878 20 30 CFEDMO C#Cc1ccc(CN[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000809609638 631245826 /nfs/dbraw/zinc/24/58/26/631245826.db2.gz MKHSKCSNHYJKOJ-JKSUJKDBSA-N 1 1 270.420 2.878 20 30 CFEDMO C#Cc1ccc(C[NH2+]Cc2ccn(C(C)C)n2)cc1 ZINC000809621436 631248565 /nfs/dbraw/zinc/24/85/65/631248565.db2.gz FKYULFRICHUVSV-UHFFFAOYSA-N 1 1 253.349 2.735 20 30 CFEDMO C#Cc1ccc(C[N@H+](C)Cc2ccc(OC)nc2)cc1 ZINC000809639872 631253982 /nfs/dbraw/zinc/25/39/82/631253982.db2.gz OSYMLALLIIKRJH-UHFFFAOYSA-N 1 1 266.344 2.704 20 30 CFEDMO C#Cc1ccc(CNCC[N@H+]2CCCC(C)(C)C2)cc1 ZINC000809655230 631256720 /nfs/dbraw/zinc/25/67/20/631256720.db2.gz FEPPBPXFHZGOJD-UHFFFAOYSA-N 1 1 270.420 2.880 20 30 CFEDMO C#Cc1ccc(CNCC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC000809655230 631256724 /nfs/dbraw/zinc/25/67/24/631256724.db2.gz FEPPBPXFHZGOJD-UHFFFAOYSA-N 1 1 270.420 2.880 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000809693342 631265423 /nfs/dbraw/zinc/26/54/23/631265423.db2.gz TYNMWOOPRJSHII-BETUJISGSA-N 1 1 293.794 2.961 20 30 CFEDMO C#CCOc1cccc(Cl)c1C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000809693342 631265426 /nfs/dbraw/zinc/26/54/26/631265426.db2.gz TYNMWOOPRJSHII-BETUJISGSA-N 1 1 293.794 2.961 20 30 CFEDMO C#CCCOc1ccc(CN2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000809697542 631267112 /nfs/dbraw/zinc/26/71/12/631267112.db2.gz ITZBRPSEEKJNJS-MRXNPFEDSA-N 1 1 286.419 2.615 20 30 CFEDMO C#Cc1ccc(CN(CC)CCC[NH+]2CCCC2)cc1 ZINC000809749297 631279809 /nfs/dbraw/zinc/27/98/09/631279809.db2.gz DXOAOESUIWRLAO-UHFFFAOYSA-N 1 1 270.420 2.976 20 30 CFEDMO C#Cc1cccc(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000810013631 631314716 /nfs/dbraw/zinc/31/47/16/631314716.db2.gz JGZZLFSFMQFTQU-KRWDZBQOSA-N 1 1 288.366 2.819 20 30 CFEDMO CC#CCC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCC1 ZINC000810033897 631317294 /nfs/dbraw/zinc/31/72/94/631317294.db2.gz KFXAWARMZGRCOY-MRXNPFEDSA-N 1 1 292.423 2.923 20 30 CFEDMO C[C@@H](COc1ccccc1)[NH2+]Cc1nc(C#N)cs1 ZINC000810136937 631330813 /nfs/dbraw/zinc/33/08/13/631330813.db2.gz LTIIEECHHNDZGE-NSHDSACASA-N 1 1 273.361 2.572 20 30 CFEDMO CCC[N@@H+](CC)C[C@H](C)NCc1ccc(OC)c(C#N)c1 ZINC000810180742 631340509 /nfs/dbraw/zinc/34/05/09/631340509.db2.gz JVMGRSAPRZGEDU-AWEZNQCLSA-N 1 1 289.423 2.777 20 30 CFEDMO CCCN(CC)C[C@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000810180742 631340513 /nfs/dbraw/zinc/34/05/13/631340513.db2.gz JVMGRSAPRZGEDU-AWEZNQCLSA-N 1 1 289.423 2.777 20 30 CFEDMO C#CCC(C)(C)C(=O)OC[C@@H]1CCC[N@H+]1Cc1ccco1 ZINC000810641316 631415410 /nfs/dbraw/zinc/41/54/10/631415410.db2.gz WRKBRTMLHGYDNE-AWEZNQCLSA-N 1 1 289.375 2.837 20 30 CFEDMO C=C[C@H](CC)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000810655443 631419156 /nfs/dbraw/zinc/41/91/56/631419156.db2.gz PNBDDOJNDCQGTD-RISCZKNCSA-N 1 1 257.349 2.707 20 30 CFEDMO CC([NH2+]Nc1cccc(S(C)(=O)=O)c1)=C1CC1(F)F ZINC000841630397 631436872 /nfs/dbraw/zinc/43/68/72/631436872.db2.gz DSYXPKWBLORWNP-LLVKDONJSA-N 1 1 288.319 2.533 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000841898318 631491157 /nfs/dbraw/zinc/49/11/57/631491157.db2.gz MRLZRRUVBZZAGH-ZDUSSCGKSA-N 1 1 269.348 2.761 20 30 CFEDMO C[C@@H]1C(N=Nc2cccnn2)CC[N@H+]1Cc1ccccc1 ZINC000811643843 631590583 /nfs/dbraw/zinc/59/05/83/631590583.db2.gz NJYNWKOEQVSBQT-CYBMUJFWSA-N 1 1 281.363 2.539 20 30 CFEDMO CCOCCC[N@H+]1CCC(=NOC/C=C\Cl)[C@@H](C)C1 ZINC000811672135 631604477 /nfs/dbraw/zinc/60/44/77/631604477.db2.gz QXKFTCJLKNECJW-UAOZTAMASA-N 1 1 288.819 2.880 20 30 CFEDMO C[NH+]1CCN(N=Cc2ccc(C3CCCC3)cc2)CC1 ZINC000812221990 631669846 /nfs/dbraw/zinc/66/98/46/631669846.db2.gz HIMBFKSBTLUJLZ-UHFFFAOYSA-N 1 1 271.408 2.926 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NOC1CCC1 ZINC000812235162 631673749 /nfs/dbraw/zinc/67/37/49/631673749.db2.gz NQDQACZXFAEJOB-CYBMUJFWSA-N 1 1 273.380 2.849 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000842628604 631685266 /nfs/dbraw/zinc/68/52/66/631685266.db2.gz CMKUIHGEXSHHMA-AWEZNQCLSA-N 1 1 273.376 2.945 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cn2cc(C)cnc2=S)C1 ZINC000842629367 631685940 /nfs/dbraw/zinc/68/59/40/631685940.db2.gz LTIWEWAQINSGMS-CYBMUJFWSA-N 1 1 261.394 2.614 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](CN2C[C@@H](CC(C)C)CC2=O)C1 ZINC000842629588 631686116 /nfs/dbraw/zinc/68/61/16/631686116.db2.gz PTNIQUNBHDNDKL-HOTGVXAUSA-N 1 1 276.424 2.574 20 30 CFEDMO C=CCC[C@H](O)C[N@H+](CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812847086 631794984 /nfs/dbraw/zinc/79/49/84/631794984.db2.gz ACSJRQUUYQHAGP-HYVNUMGLSA-N 1 1 277.408 2.758 20 30 CFEDMO C=CCC[C@H](O)C[N@H+](CC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812847085 631795318 /nfs/dbraw/zinc/79/53/18/631795318.db2.gz ACSJRQUUYQHAGP-BHYGNILZSA-N 1 1 277.408 2.758 20 30 CFEDMO C#CC[N@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)C1CCCC1 ZINC000155741421 650030265 /nfs/dbraw/zinc/03/02/65/650030265.db2.gz JZGJDOHWHWOYQO-AWEZNQCLSA-N 1 1 288.435 2.654 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+]C[C@H](O)c1cc2ccccc2s1 ZINC000843077541 631828463 /nfs/dbraw/zinc/82/84/63/631828463.db2.gz SLYVKDMLOGBDBB-OCCSQVGLSA-N 1 1 299.399 2.968 20 30 CFEDMO Cc1nnc([C@H](C)[NH2+]Cc2cccc(OCCCC#N)c2)[nH]1 ZINC000813331334 631904107 /nfs/dbraw/zinc/90/41/07/631904107.db2.gz JHKNFRUWMIOCPP-LBPRGKRZSA-N 1 1 299.378 2.647 20 30 CFEDMO C#C[C@@H](C)[NH2+]Cc1cc(Br)cnc1Cl ZINC000843409668 631946998 /nfs/dbraw/zinc/94/69/98/631946998.db2.gz ULABCUSNYPYHDR-SSDOTTSWSA-N 1 1 273.561 2.609 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(-n3cncn3)c(C)c2)C1 ZINC000843423442 631951613 /nfs/dbraw/zinc/95/16/13/631951613.db2.gz DJIOIADYSUIRQU-INIZCTEOSA-N 1 1 294.402 2.811 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000843423431 631952324 /nfs/dbraw/zinc/95/23/24/631952324.db2.gz DFCCMKRXBFYSJD-HNNXBMFYSA-N 1 1 280.375 2.503 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2nn(C)c3ccccc23)C1 ZINC000843423492 631952329 /nfs/dbraw/zinc/95/23/29/631952329.db2.gz FQWYLUFRVRWTLN-CQSZACIVSA-N 1 1 267.376 2.809 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc3cccc(C)n23)C1 ZINC000843424614 631953600 /nfs/dbraw/zinc/95/36/00/631953600.db2.gz XEGRFKZQCHGYRX-OAHLLOKOSA-N 1 1 267.376 2.878 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cnc3c(C)cccn23)C1 ZINC000843424395 631953685 /nfs/dbraw/zinc/95/36/85/631953685.db2.gz SYWXBIKQJUFOML-OAHLLOKOSA-N 1 1 267.376 2.878 20 30 CFEDMO C#CC[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000843672792 632019116 /nfs/dbraw/zinc/01/91/16/632019116.db2.gz CVRMYOGNMMFBSR-WMZOPIPTSA-N 1 1 298.430 2.941 20 30 CFEDMO C#Cc1cccc(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)c1 ZINC000843902764 632074558 /nfs/dbraw/zinc/07/45/58/632074558.db2.gz ZMRBPJANBVITTB-AWEZNQCLSA-N 1 1 295.386 2.694 20 30 CFEDMO CCCN(C(=O)/C=C/c1ccccc1C#N)[C@H]1CC[N@@H+](C)C1 ZINC000843991088 632088904 /nfs/dbraw/zinc/08/89/04/632088904.db2.gz IGNJTTVMYHTTDU-IJDCCNJMSA-N 1 1 297.402 2.514 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814643877 632102559 /nfs/dbraw/zinc/10/25/59/632102559.db2.gz TXVJMFFZGNAMEK-ZBFHGGJFSA-N 1 1 258.365 2.795 20 30 CFEDMO C[N@H+](C[C@@H](O)c1cccc(Cl)c1)CC(C)(C)C#N ZINC000814669519 632105771 /nfs/dbraw/zinc/10/57/71/632105771.db2.gz CXRIKBDYMYYREJ-CYBMUJFWSA-N 1 1 266.772 2.855 20 30 CFEDMO C[N@@H+](C[C@@H](O)c1cccc(Cl)c1)CC(C)(C)C#N ZINC000814669519 632105774 /nfs/dbraw/zinc/10/57/74/632105774.db2.gz CXRIKBDYMYYREJ-CYBMUJFWSA-N 1 1 266.772 2.855 20 30 CFEDMO Cc1cc(C)cc([C@H](O)C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000814669327 632105781 /nfs/dbraw/zinc/10/57/81/632105781.db2.gz JSCHCYYGCPNEBU-OAHLLOKOSA-N 1 1 260.381 2.818 20 30 CFEDMO Cc1cc(C)cc([C@H](O)C[N@H+](C)CC(C)(C)C#N)c1 ZINC000814669327 632105783 /nfs/dbraw/zinc/10/57/83/632105783.db2.gz JSCHCYYGCPNEBU-OAHLLOKOSA-N 1 1 260.381 2.818 20 30 CFEDMO Cc1cc(C)cc([C@@H](O)C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000814669326 632105991 /nfs/dbraw/zinc/10/59/91/632105991.db2.gz JSCHCYYGCPNEBU-HNNXBMFYSA-N 1 1 260.381 2.818 20 30 CFEDMO Cc1cc(C)cc([C@@H](O)C[N@H+](C)CC(C)(C)C#N)c1 ZINC000814669326 632105996 /nfs/dbraw/zinc/10/59/96/632105996.db2.gz JSCHCYYGCPNEBU-HNNXBMFYSA-N 1 1 260.381 2.818 20 30 CFEDMO C#CC[C@H]1CCCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000844147538 632127217 /nfs/dbraw/zinc/12/72/17/632127217.db2.gz DLHQNAINCZGMHK-JKSUJKDBSA-N 1 1 276.424 2.513 20 30 CFEDMO C[C@H]1C(N=Nc2cccnn2)CCC[N@H+]1Cc1ccccc1 ZINC000814852914 632138961 /nfs/dbraw/zinc/13/89/61/632138961.db2.gz UOMLLOJKKCGSTL-AWEZNQCLSA-N 1 1 295.390 2.929 20 30 CFEDMO Nc1ccc2c(c1)C(=[NH+]O[C@H]1CCCCO1)CCC2 ZINC000814888057 632149910 /nfs/dbraw/zinc/14/99/10/632149910.db2.gz WMTRIUZHTIOIGG-HNNXBMFYSA-N 1 1 260.337 2.852 20 30 CFEDMO CC(C)(C)c1cnc(C=NNc2cc[nH+]cc2)s1 ZINC000814900357 632155112 /nfs/dbraw/zinc/15/51/12/632155112.db2.gz PANLBKUHDSXWFL-UHFFFAOYSA-N 1 1 260.366 2.704 20 30 CFEDMO CCC(CC)CN[NH+]=C(C)c1cc([N+](=O)[O-])ccc1N ZINC000814906524 632158183 /nfs/dbraw/zinc/15/81/83/632158183.db2.gz YNTSXHLFUSNTPR-UHFFFAOYSA-N 1 1 278.356 2.927 20 30 CFEDMO C#CC[N@@H+](C)CCCNc1nccc(Oc2ccccc2)n1 ZINC000814929469 632169429 /nfs/dbraw/zinc/16/94/29/632169429.db2.gz KVMWMJXNBJHGRP-UHFFFAOYSA-N 1 1 296.374 2.636 20 30 CFEDMO C#CC[N@@H+](C)CCCNc1ccnc2c(F)cccc12 ZINC000814930210 632169721 /nfs/dbraw/zinc/16/97/21/632169721.db2.gz WWOZJCIZDATJQV-UHFFFAOYSA-N 1 1 271.339 2.741 20 30 CFEDMO CC1(C)CC(=[NH+]N[C@@H]2CCSC2)c2cc(N)ccc2O1 ZINC000814933248 632170951 /nfs/dbraw/zinc/17/09/51/632170951.db2.gz ITPIWVIJVJWBKB-LLVKDONJSA-N 1 1 291.420 2.629 20 30 CFEDMO CC#CC[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844373614 632182825 /nfs/dbraw/zinc/18/28/25/632182825.db2.gz NNQLENWZHPPSOU-HNNXBMFYSA-N 1 1 263.768 2.647 20 30 CFEDMO C#CCNC(=O)CC[N@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000815054470 632191894 /nfs/dbraw/zinc/19/18/94/632191894.db2.gz KZDRWGZIAWJSHG-MSOLQXFVSA-N 1 1 298.430 2.702 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)C[C@@H](O)Cc1ccc(F)cc1 ZINC000815052517 632192122 /nfs/dbraw/zinc/19/21/22/632192122.db2.gz RHZDNGIDTPXOMP-INIZCTEOSA-N 1 1 278.371 2.601 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844396524 632193574 /nfs/dbraw/zinc/19/35/74/632193574.db2.gz JAVJKHKNACGZSI-KBPBESRZSA-N 1 1 280.412 2.635 20 30 CFEDMO C#CC[N@@H+](Cc1ccccc1)C[C@H](O)Cc1ccc(F)cc1 ZINC000815116899 632204678 /nfs/dbraw/zinc/20/46/78/632204678.db2.gz FHAXOHAIVOAQME-LJQANCHMSA-N 1 1 297.373 2.865 20 30 CFEDMO C#CCCC[N@@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000844424552 632206029 /nfs/dbraw/zinc/20/60/29/632206029.db2.gz FJDBQJLLEGPYSZ-CQSZACIVSA-N 1 1 265.397 2.986 20 30 CFEDMO C#CCCC[N@@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000844424551 632206188 /nfs/dbraw/zinc/20/61/88/632206188.db2.gz FJDBQJLLEGPYSZ-AWEZNQCLSA-N 1 1 265.397 2.986 20 30 CFEDMO C=C[C@@H](C)ON=C1CC[N@H+](CCCOCC)C[C@H]1C ZINC000844621073 632265771 /nfs/dbraw/zinc/26/57/71/632265771.db2.gz CTVAJCFFCKPWFU-ZIAGYGMSSA-N 1 1 268.401 2.702 20 30 CFEDMO N#CCCCOC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000815447256 632276946 /nfs/dbraw/zinc/27/69/46/632276946.db2.gz OVYWFYGMFWRYGM-AWEZNQCLSA-N 1 1 264.369 2.630 20 30 CFEDMO CCCC(N)=[NH+]OCCOc1ccccc1Cl ZINC000105605777 632300657 /nfs/dbraw/zinc/30/06/57/632300657.db2.gz AMARMWHCJVDWCD-UHFFFAOYSA-N 1 1 256.733 2.808 20 30 CFEDMO CCCC(N)=[NH+]OCc1cc(Cl)ccc1OC ZINC000105605701 632300974 /nfs/dbraw/zinc/30/09/74/632300974.db2.gz SNQWCENABDIJJG-UHFFFAOYSA-N 1 1 256.733 2.938 20 30 CFEDMO N#Cc1ccc(CO[NH+]=C(N)C2CCCC2)c([N+](=O)[O-])c1 ZINC000844763338 632301155 /nfs/dbraw/zinc/30/11/55/632301155.db2.gz HIQFVRNOEHCJFE-UHFFFAOYSA-N 1 1 288.307 2.655 20 30 CFEDMO CCCCC(N)=[NH+]OCc1ccc(C#N)cc1[N+](=O)[O-] ZINC000844763872 632302046 /nfs/dbraw/zinc/30/20/46/632302046.db2.gz QYNQCYOXTNMKQA-UHFFFAOYSA-N 1 1 276.296 2.655 20 30 CFEDMO C=CCN(C(=O)NCCC[N@H+](C)CC(C)C)C(C)C ZINC000845308974 632408291 /nfs/dbraw/zinc/40/82/91/632408291.db2.gz FQRIVPJTQUFSMW-UHFFFAOYSA-N 1 1 269.433 2.570 20 30 CFEDMO C=C[C@@H](C)ONC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000845631306 632494222 /nfs/dbraw/zinc/49/42/22/632494222.db2.gz BSYZJOGOUDDDSW-ZIAGYGMSSA-N 1 1 297.443 2.692 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCCO[C@@H](C(C)C)C1 ZINC000816675820 632509710 /nfs/dbraw/zinc/50/97/10/632509710.db2.gz MCPUZASGKKUVOO-GOSISDBHSA-N 1 1 287.403 2.946 20 30 CFEDMO C#Cc1ccccc1CC(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000845727768 632535116 /nfs/dbraw/zinc/53/51/16/632535116.db2.gz DFWFZCVFEHKZDE-INIZCTEOSA-N 1 1 285.387 2.626 20 30 CFEDMO CC(C)[N@@H+](CC(=O)NCCC#N)[C@@H](C)c1ccsc1 ZINC000817287974 632595009 /nfs/dbraw/zinc/59/50/09/632595009.db2.gz RVZFLFUKAFOWGT-LBPRGKRZSA-N 1 1 279.409 2.549 20 30 CFEDMO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000817286368 632595798 /nfs/dbraw/zinc/59/57/98/632595798.db2.gz TWTIYTRENVJURB-BXUZGUMPSA-N 1 1 294.782 2.588 20 30 CFEDMO C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000817286368 632595800 /nfs/dbraw/zinc/59/58/00/632595800.db2.gz TWTIYTRENVJURB-BXUZGUMPSA-N 1 1 294.782 2.588 20 30 CFEDMO Cn1cc[nH+]c1[N-][NH+]=C1CCCCc2ccc(N)cc21 ZINC000817327607 632603373 /nfs/dbraw/zinc/60/33/73/632603373.db2.gz MEWQWAPWLCPRBX-UHFFFAOYSA-N 1 1 269.352 2.545 20 30 CFEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006320 632612027 /nfs/dbraw/zinc/61/20/27/632612027.db2.gz IEGYEGDAVAVMPV-MRXNPFEDSA-N 1 1 297.383 2.657 20 30 CFEDMO CN1c2ccc(C[NH2+]CC3(C#N)CCCC3)cc2CCC1=O ZINC000846010272 632613365 /nfs/dbraw/zinc/61/33/65/632613365.db2.gz IAUVMUFRPUBETI-UHFFFAOYSA-N 1 1 297.402 2.769 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2C[C@H](C)OCC23CCC3)cc1 ZINC000846066963 632627474 /nfs/dbraw/zinc/62/74/74/632627474.db2.gz KDZJRSDMTBGUBH-AWEZNQCLSA-N 1 1 255.361 2.811 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000846116371 632637761 /nfs/dbraw/zinc/63/77/61/632637761.db2.gz GLVLCQPRGUNZKD-OAHLLOKOSA-N 1 1 277.314 2.930 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C2CC(C)(C)C2)C1 ZINC001010854381 651179477 /nfs/dbraw/zinc/17/94/77/651179477.db2.gz JFTGSCSMSUTWNC-CQSZACIVSA-N 1 1 264.413 2.579 20 30 CFEDMO C=CCc1cc(CN[C@H](C)C[C@H](C)[NH3+])cc(OC)c1OC ZINC000817908724 632729833 /nfs/dbraw/zinc/72/98/33/632729833.db2.gz IAQRNTBVAZWKGQ-QWHCGFSZSA-N 1 1 292.423 2.648 20 30 CFEDMO CC(C)C[C@@H](CN)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000817960147 632759109 /nfs/dbraw/zinc/75/91/09/632759109.db2.gz XQBOICJVRMKUKG-HIFRSBDPSA-N 1 1 275.396 2.613 20 30 CFEDMO C=C(Cl)COc1ccc([C@@H](C)NCC2C[NH2+]C2)cc1 ZINC000817966038 632764055 /nfs/dbraw/zinc/76/40/55/632764055.db2.gz ZMZWTTFZVXEWBT-GFCCVEGCSA-N 1 1 280.799 2.688 20 30 CFEDMO Cc1cc(C#N)ccc1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000846749299 632783546 /nfs/dbraw/zinc/78/35/46/632783546.db2.gz XAJPNVTYHQXMTR-QGZVFWFLSA-N 1 1 269.392 2.789 20 30 CFEDMO C=CC[N@@H+](Cc1cc2ccccc2n(C)c1=O)C(C)C ZINC000846776095 632793946 /nfs/dbraw/zinc/79/39/46/632793946.db2.gz JJPLUUGAMXLHIC-UHFFFAOYSA-N 1 1 270.376 2.935 20 30 CFEDMO CC(C)C[N@H+](CCC#N)Cc1cc2ccccc2n(C)c1=O ZINC000846806215 632803349 /nfs/dbraw/zinc/80/33/49/632803349.db2.gz LENRZLCMJRGKQF-UHFFFAOYSA-N 1 1 297.402 2.910 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)Cc1cc2ccccc2n(C)c1=O ZINC000846806215 632803355 /nfs/dbraw/zinc/80/33/55/632803355.db2.gz LENRZLCMJRGKQF-UHFFFAOYSA-N 1 1 297.402 2.910 20 30 CFEDMO CC[C@H]([NH2+]Cc1nn(CC)nc1C)c1ccc(C#N)cc1 ZINC000818344502 632833496 /nfs/dbraw/zinc/83/34/96/632833496.db2.gz DNAUGOHQWKMZEH-HNNXBMFYSA-N 1 1 283.379 2.719 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H](C)c2cc(Cl)ccc2O)nn1 ZINC000818347515 632835848 /nfs/dbraw/zinc/83/58/48/632835848.db2.gz SBNFOJDGYMKRLB-JTQLQIEISA-N 1 1 292.770 2.674 20 30 CFEDMO CC[C@H](CC#N)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000846984471 632869499 /nfs/dbraw/zinc/86/94/99/632869499.db2.gz BIVVBVMHDFQFMO-OLZOCXBDSA-N 1 1 252.745 2.655 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000818595710 632875875 /nfs/dbraw/zinc/87/58/75/632875875.db2.gz KPQJIFJTDLEVCC-GVDBMIGSSA-N 1 1 290.451 2.664 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](C[C@H](Cc2ccccc2)OC)C1 ZINC000847018323 632882530 /nfs/dbraw/zinc/88/25/30/632882530.db2.gz JARCNUZTELKNHA-WBVHZDCISA-N 1 1 257.377 2.589 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000847017304 632882818 /nfs/dbraw/zinc/88/28/18/632882818.db2.gz BPJYAYATWTVDDE-LLVKDONJSA-N 1 1 268.282 2.946 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(=O)[nH]c(-c3ccccc3)n2)C1 ZINC000847018562 632883600 /nfs/dbraw/zinc/88/36/00/632883600.db2.gz LDFDIWNZFYJFGY-CQSZACIVSA-N 1 1 293.370 2.694 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CCC(=O)c2ccc(F)cc2)C1 ZINC000847020216 632885318 /nfs/dbraw/zinc/88/53/18/632885318.db2.gz ADZPWYRDPSHCOS-ZDUSSCGKSA-N 1 1 259.324 2.744 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000847021106 632885456 /nfs/dbraw/zinc/88/54/56/632885456.db2.gz IVSGSEIZMFHWFR-LBPRGKRZSA-N 1 1 292.329 2.639 20 30 CFEDMO 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C#C[C@](C)(CC)[NH2+]Cc1cc(OC)ncc1Br ZINC000856744978 635846116 /nfs/dbraw/zinc/84/61/16/635846116.db2.gz LXFAFRBFKGHQKB-CYBMUJFWSA-N 1 1 297.196 2.744 20 30 CFEDMO C=CCC[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC000856813083 635867332 /nfs/dbraw/zinc/86/73/32/635867332.db2.gz AXMRBHKDKPTTIZ-BBRMVZONSA-N 1 1 280.412 2.942 20 30 CFEDMO C[C@H](C#N)CN(C)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000856962599 635893322 /nfs/dbraw/zinc/89/33/22/635893322.db2.gz FBFOKQKGENTIOA-RHSMWYFYSA-N 1 1 299.418 2.727 20 30 CFEDMO C=C[C@@H](C)NC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857150948 635936369 /nfs/dbraw/zinc/93/63/69/635936369.db2.gz WGZNVPBKPLBZON-CJNGLKHVSA-N 1 1 272.392 2.800 20 30 CFEDMO C#C[C@H](NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1)C(C)C ZINC000857212763 635948553 /nfs/dbraw/zinc/94/85/53/635948553.db2.gz WOPKLRYEPAVQIE-MSOLQXFVSA-N 1 1 298.430 2.883 20 30 CFEDMO CC#CCN(C)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC000857272496 635959812 /nfs/dbraw/zinc/95/98/12/635959812.db2.gz GVNRJGKYKVRAAO-KRWDZBQOSA-N 1 1 284.403 2.591 20 30 CFEDMO N#Cc1cccc(C2([NH2+][C@H]3CCCc4cn[nH]c43)CC2)c1 ZINC000857860812 636037731 /nfs/dbraw/zinc/03/77/31/636037731.db2.gz LREGDLXWTDSAPY-HNNXBMFYSA-N 1 1 278.359 2.938 20 30 CFEDMO N#Cc1cccc(C2([NH2+][C@H]3CCCc4c[nH]nc43)CC2)c1 ZINC000857860812 636037734 /nfs/dbraw/zinc/03/77/34/636037734.db2.gz LREGDLXWTDSAPY-HNNXBMFYSA-N 1 1 278.359 2.938 20 30 CFEDMO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857866737 636040442 /nfs/dbraw/zinc/04/04/42/636040442.db2.gz XSVVEHBHZXKJDL-HOTGVXAUSA-N 1 1 278.359 2.936 20 30 CFEDMO C=CCCSCC[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000857873568 636044092 /nfs/dbraw/zinc/04/40/92/636044092.db2.gz ZMUUTSXKUPCWFA-LBPRGKRZSA-N 1 1 251.399 2.686 20 30 CFEDMO N#Cc1ccc(C[NH2+][C@H]2CCc3ccc(Cl)nc32)nc1 ZINC000857910750 636062297 /nfs/dbraw/zinc/06/22/97/636062297.db2.gz NMXHCPLWYWNPRP-ZDUSSCGKSA-N 1 1 284.750 2.779 20 30 CFEDMO CC#CC[N@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858017028 636116909 /nfs/dbraw/zinc/11/69/09/636116909.db2.gz JWHKCYMKPKLTOH-INIZCTEOSA-N 1 1 270.376 2.826 20 30 CFEDMO C#CC[C@@H](COC)Nc1[nH+]ccc2cc(F)ccc21 ZINC000858861431 636362946 /nfs/dbraw/zinc/36/29/46/636362946.db2.gz CDOIUQSHDHUXAE-ZDUSSCGKSA-N 1 1 258.296 2.824 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(Cl)n(C)n1 ZINC000859358520 636549673 /nfs/dbraw/zinc/54/96/73/636549673.db2.gz HJJKPLKLCQQEKZ-TXEJJXNPSA-N 1 1 251.761 2.757 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)n(C)n1 ZINC000859358520 636549677 /nfs/dbraw/zinc/54/96/77/636549677.db2.gz HJJKPLKLCQQEKZ-TXEJJXNPSA-N 1 1 251.761 2.757 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](Cc2c(Cl)ncnc2N(C)C)C1 ZINC000859445160 636565907 /nfs/dbraw/zinc/56/59/07/636565907.db2.gz CYEGCLTYYLWWFR-LLVKDONJSA-N 1 1 280.803 2.594 20 30 CFEDMO C#CCOCC[N@H+](CCOCC)[C@H]1CCc2ccccc21 ZINC000859831117 636715182 /nfs/dbraw/zinc/71/51/82/636715182.db2.gz MSSSBHGIKAGGLR-SFHVURJKSA-N 1 1 287.403 2.662 20 30 CFEDMO C#CC[NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000859846967 636723078 /nfs/dbraw/zinc/72/30/78/636723078.db2.gz ODXVXFPOWVZOEW-CYBMUJFWSA-N 1 1 271.191 2.819 20 30 CFEDMO C#CCOCC[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000859908139 636740288 /nfs/dbraw/zinc/74/02/88/636740288.db2.gz YCIOWKXKFRSTJP-UHFFFAOYSA-N 1 1 283.293 2.713 20 30 CFEDMO C[C@H](C[N@@H+](C)[C@@H](C)CCC#N)NC(=O)OC(C)(C)C ZINC000860097400 636785799 /nfs/dbraw/zinc/78/57/99/636785799.db2.gz SVBYZYQXSSUIAJ-NEPJUHHUSA-N 1 1 269.389 2.524 20 30 CFEDMO CC(=O)c1ccccc1OCCO[NH+]=C(N)CCC(C)C ZINC000194566131 636790524 /nfs/dbraw/zinc/79/05/24/636790524.db2.gz UIXYPACLOVNZTD-UHFFFAOYSA-N 1 1 292.379 2.993 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C1(C)CCC(F)(F)CC1 ZINC000860530037 636905448 /nfs/dbraw/zinc/90/54/48/636905448.db2.gz PYXUGEHCUKUPQZ-ZDUSSCGKSA-N 1 1 299.361 2.843 20 30 CFEDMO C=CC[C@H](C)OC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000860896737 637005661 /nfs/dbraw/zinc/00/56/61/637005661.db2.gz QKMMIEBDPWVNFM-FZMZJTMJSA-N 1 1 257.349 2.707 20 30 CFEDMO C#CC[N@@H+](CC)Cc1cc(C)c(Br)cn1 ZINC000862232718 637293270 /nfs/dbraw/zinc/29/32/70/637293270.db2.gz AHMDVVUHQSOZRQ-UHFFFAOYSA-N 1 1 267.170 2.608 20 30 CFEDMO C#CC[N@H+](CC)Cc1cc(C)c(Br)cn1 ZINC000862232718 637293277 /nfs/dbraw/zinc/29/32/77/637293277.db2.gz AHMDVVUHQSOZRQ-UHFFFAOYSA-N 1 1 267.170 2.608 20 30 CFEDMO C#CCn1ccc(C[N@H+](CC)C[C@@]2(C)CCCS2)n1 ZINC000862351851 637327813 /nfs/dbraw/zinc/32/78/13/637327813.db2.gz TUIHJVHDGDFSLY-OAHLLOKOSA-N 1 1 277.437 2.624 20 30 CFEDMO C#C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000862374307 637343728 /nfs/dbraw/zinc/34/37/28/637343728.db2.gz KKCFKIGSVPKRTD-HOTGVXAUSA-N 1 1 274.383 2.962 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](Cc2ccc(/C=C\C(=O)OC)o2)C1 ZINC000862442164 637381760 /nfs/dbraw/zinc/38/17/60/637381760.db2.gz YDCRHMGSFJLJCY-MEJMFZKBSA-N 1 1 275.348 2.864 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000862442165 637382258 /nfs/dbraw/zinc/38/22/58/637382258.db2.gz BCSKABHZWCRBFR-AWEZNQCLSA-N 1 1 295.386 2.931 20 30 CFEDMO C#CC[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000862443834 637383442 /nfs/dbraw/zinc/38/34/42/637383442.db2.gz VCALEZVTPQSTRH-PODYEWJSSA-N 1 1 270.332 2.953 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OCC)c2)C1 ZINC000862443289 637383709 /nfs/dbraw/zinc/38/37/09/637383709.db2.gz NWIPSWLNRWMDCM-AWEZNQCLSA-N 1 1 273.376 2.939 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000862444204 637384114 /nfs/dbraw/zinc/38/41/14/637384114.db2.gz ZKHJDTYEKRLMQJ-AWEZNQCLSA-N 1 1 265.360 2.922 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ncccc2C(F)(F)F)C1 ZINC000862444723 637384830 /nfs/dbraw/zinc/38/48/30/637384830.db2.gz GDOMHKKDJCKNMA-LLVKDONJSA-N 1 1 268.282 2.946 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(CC=C)c(O)c(OC)c2)C1 ZINC000862444487 637385762 /nfs/dbraw/zinc/38/57/62/637385762.db2.gz AUUAXFCGSBTBSU-AWEZNQCLSA-N 1 1 285.387 2.975 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2ccc(OCOCC)cc2)C1 ZINC000862445139 637386216 /nfs/dbraw/zinc/38/62/16/637386216.db2.gz MPHKGUCDOGOABB-OAHLLOKOSA-N 1 1 273.376 2.905 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000862445538 637387784 /nfs/dbraw/zinc/38/77/84/637387784.db2.gz WSMMARSPZZOKKJ-CYBMUJFWSA-N 1 1 266.344 2.786 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2ccnn2CCc2ccccc2)C1 ZINC000862447254 637388053 /nfs/dbraw/zinc/38/80/53/637388053.db2.gz KOLGOCSGGIFVTL-SFHVURJKSA-N 1 1 293.414 2.971 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000862447940 637388542 /nfs/dbraw/zinc/38/85/42/637388542.db2.gz SSCRPASKEYIRGA-CVEARBPZSA-N 1 1 287.403 2.946 20 30 CFEDMO C#CCCCCC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000862629316 637454696 /nfs/dbraw/zinc/45/46/96/637454696.db2.gz ODYSFDWSLVFCCL-MRXNPFEDSA-N 1 1 276.424 2.703 20 30 CFEDMO C=C(C)C[N@H+](C)CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000188719245 650344032 /nfs/dbraw/zinc/34/40/32/650344032.db2.gz ALGUBYUEKMHWFV-KRWDZBQOSA-N 1 1 272.392 2.642 20 30 CFEDMO C=C(C)C[N@@H+](C)CN1CC[C@@](C)(c2ccccc2)C1=O ZINC000188719245 650344033 /nfs/dbraw/zinc/34/40/33/650344033.db2.gz ALGUBYUEKMHWFV-KRWDZBQOSA-N 1 1 272.392 2.642 20 30 CFEDMO C#CCCCC(C)=[NH+]n1cc(Br)cn1 ZINC000863104118 637554871 /nfs/dbraw/zinc/55/48/71/637554871.db2.gz UQWKHSZOBGUOOL-UHFFFAOYSA-N 1 1 254.131 2.673 20 30 CFEDMO CN(C)c1cc(F)c(C=[NH+]N[C@@H]2CCOC2(C)C)cc1F ZINC000863117855 637562842 /nfs/dbraw/zinc/56/28/42/637562842.db2.gz FTMUKZODBACDSK-CQSZACIVSA-N 1 1 297.349 2.522 20 30 CFEDMO CC(C[C@H]1CCCN1C(=O)OC(C)(C)C)=[NH+]n1cccn1 ZINC000863164184 637576320 /nfs/dbraw/zinc/57/63/20/637576320.db2.gz DHOFLFOPBWMQPO-CYBMUJFWSA-N 1 1 292.383 2.897 20 30 CFEDMO C=CC(C)(C)CCNC(=S)NC[C@H]1CCC[N@@H+]1CC ZINC000863203228 637586800 /nfs/dbraw/zinc/58/68/00/637586800.db2.gz OKXAUEFQWJVGKM-CYBMUJFWSA-N 1 1 283.485 2.537 20 30 CFEDMO C=CC1CC[NH+](CN2Cc3cc(OC)ccc3C2=O)CC1 ZINC000863259475 637607882 /nfs/dbraw/zinc/60/78/82/637607882.db2.gz OGRHKNXXOUIONE-UHFFFAOYSA-N 1 1 286.375 2.507 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+](C)CC2(C)COC2)c1O ZINC000863299024 637621388 /nfs/dbraw/zinc/62/13/88/637621388.db2.gz SGWKERJCHQJPQZ-UHFFFAOYSA-N 1 1 291.391 2.598 20 30 CFEDMO C=CCCCCC[C@@H](C)[NH2+]CC1(N)CCOCC1 ZINC000863542091 637689546 /nfs/dbraw/zinc/68/95/46/637689546.db2.gz RRHDRCBFBYAGNK-CQSZACIVSA-N 1 1 254.418 2.609 20 30 CFEDMO C=CCCCCCCNC(=O)C[N@H+](C)C1CCC1 ZINC000863915815 637810303 /nfs/dbraw/zinc/81/03/03/637810303.db2.gz IUAFMOYQCGDANT-UHFFFAOYSA-N 1 1 252.402 2.723 20 30 CFEDMO NC(CCCc1ccccc1)=[NH+]OCC[C@@H]1CCCO1 ZINC000189264375 650370170 /nfs/dbraw/zinc/37/01/70/650370170.db2.gz JBJXDLQPLBAXFY-HNNXBMFYSA-N 1 1 276.380 2.867 20 30 CFEDMO CC(C)CCC(N)=[NH+]OCCOCC(F)(F)C(F)F ZINC000189259264 650370741 /nfs/dbraw/zinc/37/07/41/650370741.db2.gz RTFZEXFWRSFOGK-UHFFFAOYSA-N 1 1 288.285 2.628 20 30 CFEDMO CCO[C@H](C)c1noc(CO[NH+]=C(N)C2CCCCC2)n1 ZINC000120033967 637959876 /nfs/dbraw/zinc/95/98/76/637959876.db2.gz WGTNAOYFQNBNAZ-SNVBAGLBSA-N 1 1 296.371 2.536 20 30 CFEDMO Cc1cc[nH+]c(NCc2cc(C#N)ccc2N(C)C)c1 ZINC000865289842 638258607 /nfs/dbraw/zinc/25/86/07/638258607.db2.gz GNGZOJQJTFSICV-UHFFFAOYSA-N 1 1 266.348 2.940 20 30 CFEDMO CCc1[nH+]c(C)cn1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000865393435 638304116 /nfs/dbraw/zinc/30/41/16/638304116.db2.gz WAMQROQJWUCKAD-UHFFFAOYSA-N 1 1 293.330 2.724 20 30 CFEDMO C#CCOc1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000077012448 650412892 /nfs/dbraw/zinc/41/28/92/650412892.db2.gz BLJNJWXISZPYLY-UHFFFAOYSA-N 1 1 295.382 2.693 20 30 CFEDMO C=C(Br)C[N@H+]1CCSC[C@@H](C)C1 ZINC000190476062 650434541 /nfs/dbraw/zinc/43/45/41/650434541.db2.gz GTOKDVLPFRMENR-QMMMGPOBSA-N 1 1 250.205 2.580 20 30 CFEDMO C=C(Br)C[N@@H+]1CCSC[C@@H](C)C1 ZINC000190476062 650434543 /nfs/dbraw/zinc/43/45/43/650434543.db2.gz GTOKDVLPFRMENR-QMMMGPOBSA-N 1 1 250.205 2.580 20 30 CFEDMO Cc1nc(NC[C@@H]2c3ccccc3C[N@H+]2C)ccc1C#N ZINC000866195070 638767859 /nfs/dbraw/zinc/76/78/59/638767859.db2.gz MLFNAIFPOICBFI-MRXNPFEDSA-N 1 1 278.359 2.860 20 30 CFEDMO Cc1nc(NC[C@@H]2c3ccccc3C[N@@H+]2C)ccc1C#N ZINC000866195070 638767861 /nfs/dbraw/zinc/76/78/61/638767861.db2.gz MLFNAIFPOICBFI-MRXNPFEDSA-N 1 1 278.359 2.860 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3ccc(C#N)c(Cl)c3)CC[C@H]21 ZINC000866207482 638770393 /nfs/dbraw/zinc/77/03/93/638770393.db2.gz WXWALMYEASEKKA-SWLSCSKDSA-N 1 1 275.783 2.742 20 30 CFEDMO C[N@H+]1CC[C@@H]2CN(c3cc(Cl)ccc3C#N)CC[C@@H]21 ZINC000866208243 638770882 /nfs/dbraw/zinc/77/08/82/638770882.db2.gz ZZTAPYNDEYXTOB-OCCSQVGLSA-N 1 1 275.783 2.742 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1cccc(C#N)c1O ZINC000866227603 638774273 /nfs/dbraw/zinc/77/42/73/638774273.db2.gz AALCBCIRAWGEPZ-XHDPSFHLSA-N 1 1 296.374 2.726 20 30 CFEDMO CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(C#N)c2[O-])C1 ZINC000866240770 638777685 /nfs/dbraw/zinc/77/76/85/638777685.db2.gz MXOWORAYVASSGI-ZIAGYGMSSA-N 1 1 287.407 2.646 20 30 CFEDMO COc1ccncc1C[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866365329 638805471 /nfs/dbraw/zinc/80/54/71/638805471.db2.gz VBXCXTTUFWZQBV-LLVKDONJSA-N 1 1 283.331 2.518 20 30 CFEDMO C#CCCOC(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000867793963 638898377 /nfs/dbraw/zinc/89/83/77/638898377.db2.gz MVPAEFNDKXUQTD-HNNXBMFYSA-N 1 1 278.396 2.533 20 30 CFEDMO Cc1cc(C)c(COC(=O)Cc2ccc(C#N)nc2)c(C)[nH+]1 ZINC000869564312 639298912 /nfs/dbraw/zinc/29/89/12/639298912.db2.gz DXWKPOJRBXMIBV-UHFFFAOYSA-N 1 1 295.342 2.559 20 30 CFEDMO CCCCCCCCC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869783676 639397838 /nfs/dbraw/zinc/39/78/38/639397838.db2.gz KVYSKAHFMSWPSX-HNNXBMFYSA-N 1 1 298.471 2.698 20 30 CFEDMO C#CCCCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000869801701 639408103 /nfs/dbraw/zinc/40/81/03/639408103.db2.gz XIFZDXOZMKGRHK-WMZOPIPTSA-N 1 1 298.430 2.674 20 30 CFEDMO C#CCCCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000869801700 639408782 /nfs/dbraw/zinc/40/87/82/639408782.db2.gz XIFZDXOZMKGRHK-SJLPKXTDSA-N 1 1 298.430 2.674 20 30 CFEDMO CC(=O)Oc1ccc(C[N@H+](CCC#N)CC2CC2)cc1 ZINC000123260965 639768644 /nfs/dbraw/zinc/76/86/44/639768644.db2.gz QNCPANBDDKQZRF-UHFFFAOYSA-N 1 1 272.348 2.738 20 30 CFEDMO CC(=O)Oc1ccc(C[N@@H+](CCC#N)CC2CC2)cc1 ZINC000123260965 639768648 /nfs/dbraw/zinc/76/86/48/639768648.db2.gz QNCPANBDDKQZRF-UHFFFAOYSA-N 1 1 272.348 2.738 20 30 CFEDMO C#CCCCC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192171331 650544990 /nfs/dbraw/zinc/54/49/90/650544990.db2.gz QJHVBYMNBMQGGV-HUUCEWRRSA-N 1 1 276.424 2.559 20 30 CFEDMO C#CCOc1ccccc1C[NH2+]C[C@@H](CC)N1CCCC1 ZINC000078909497 650543984 /nfs/dbraw/zinc/54/39/84/650543984.db2.gz IBGIRFXXDDNFDY-QGZVFWFLSA-N 1 1 286.419 2.663 20 30 CFEDMO Cc1[nH]c(C#N)cc1C(=O)O[C@H](C)C[C@@H]1CCCC[N@H+]1C ZINC000870783720 641064015 /nfs/dbraw/zinc/06/40/15/641064015.db2.gz BHQNFLPLLOIXJY-RISCZKNCSA-N 1 1 289.379 2.615 20 30 CFEDMO C#CCCCCC(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC000870908770 641117172 /nfs/dbraw/zinc/11/71/72/641117172.db2.gz XNURXULRIKKWBD-SFHVURJKSA-N 1 1 298.430 2.879 20 30 CFEDMO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC000871073298 641188434 /nfs/dbraw/zinc/18/84/34/641188434.db2.gz WXKIMJCOWUWIKF-JTQLQIEISA-N 1 1 299.378 2.540 20 30 CFEDMO CC(C)c1[nH+]ccn1CC(=O)[C@@H](C#N)c1ccccc1 ZINC000871663613 641388645 /nfs/dbraw/zinc/38/86/45/641388645.db2.gz JFWQEDJHCRNDGF-AWEZNQCLSA-N 1 1 267.332 2.883 20 30 CFEDMO CCc1[nH+]ccn1CC[C@](C#N)(C(C)=O)c1ccccc1 ZINC000871664170 641388878 /nfs/dbraw/zinc/38/88/78/641388878.db2.gz RLPLJBCJWDTUOE-KRWDZBQOSA-N 1 1 281.359 2.886 20 30 CFEDMO Cc1cccc(C#N)c1SCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000871690846 641406419 /nfs/dbraw/zinc/40/64/19/641406419.db2.gz GNDNMLVQFICIPB-GASCZTMLSA-N 1 1 288.416 2.822 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(CCc2ccccc2)no1 ZINC000871779639 641452078 /nfs/dbraw/zinc/45/20/78/641452078.db2.gz OJNGPXTXJSSCKF-GFCCVEGCSA-N 1 1 277.755 2.997 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(OCC)nc2)no1 ZINC000872175407 641693362 /nfs/dbraw/zinc/69/33/62/641693362.db2.gz JQTCUAQXTAHAEF-SNVBAGLBSA-N 1 1 294.742 2.673 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc(-c2cccnc2OCC)no1 ZINC000872176364 641694754 /nfs/dbraw/zinc/69/47/54/641694754.db2.gz PXHCKSZKVBSWCH-JTQLQIEISA-N 1 1 294.742 2.673 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2ccc(C)o2)no1 ZINC000872179672 641696066 /nfs/dbraw/zinc/69/60/66/641696066.db2.gz IIDGCPFTURZAFH-MRVPVSSYSA-N 1 1 253.689 2.780 20 30 CFEDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2CC#Cc2ccc(F)cc2)[C@@H]1O ZINC000872259070 641723015 /nfs/dbraw/zinc/72/30/15/641723015.db2.gz KPENARQLDMQPBW-BBWFWOEESA-N 1 1 287.378 2.659 20 30 CFEDMO C=CCOCC[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872282702 641740292 /nfs/dbraw/zinc/74/02/92/641740292.db2.gz RRTFYOJRVAQMRM-OAHLLOKOSA-N 1 1 253.386 2.613 20 30 CFEDMO COc1cccc(N=NC2CCC[N@@H+]3CCSC[C@H]23)c1 ZINC000872339012 641759225 /nfs/dbraw/zinc/75/92/25/641759225.db2.gz UVARDJSHTZMSSN-OAHLLOKOSA-N 1 1 291.420 2.674 20 30 CFEDMO COc1cccc(N=NC2CCC[N@H+]3CCSC[C@H]23)c1 ZINC000872339012 641759229 /nfs/dbraw/zinc/75/92/29/641759229.db2.gz UVARDJSHTZMSSN-OAHLLOKOSA-N 1 1 291.420 2.674 20 30 CFEDMO CC[C@H](C)CON=C1CCC[N@H+]2CCSC[C@H]12 ZINC000872376497 641780402 /nfs/dbraw/zinc/78/04/02/641780402.db2.gz HORUQVYVFNRSTP-WCQYABFASA-N 1 1 256.415 2.616 20 30 CFEDMO Cc1cc(Br)cnc1N=NC1CC[N@@H+](C)[C@@H]1C ZINC000872382075 641783516 /nfs/dbraw/zinc/78/35/16/641783516.db2.gz ICQPPLZHEBTCDT-SECBINFHSA-N 1 1 297.200 2.644 20 30 CFEDMO C[C@@H]1CC(=NNC[C@H]2CCCC2(F)F)C[N@@H+]1C1CC1 ZINC000872406654 641796123 /nfs/dbraw/zinc/79/61/23/641796123.db2.gz TUHMILXNPGHMTR-GHMZBOCLSA-N 1 1 271.355 2.624 20 30 CFEDMO C[C@@H]1CC(=NNC[C@H]2CCCC2(F)F)C[N@H+]1C1CC1 ZINC000872406654 641796132 /nfs/dbraw/zinc/79/61/32/641796132.db2.gz TUHMILXNPGHMTR-GHMZBOCLSA-N 1 1 271.355 2.624 20 30 CFEDMO C[N@H+]1CCC(N=Nc2nc3ccncc3s2)CC1(C)C ZINC000872411867 641799278 /nfs/dbraw/zinc/79/92/78/641799278.db2.gz XUIYCIKTCQIXOP-UHFFFAOYSA-N 1 1 289.408 2.963 20 30 CFEDMO CSc1nnc(SC)n1[NH+]=CC1CCCC1 ZINC000872417278 641802456 /nfs/dbraw/zinc/80/24/56/641802456.db2.gz SDIFYVPHFCQLJF-UHFFFAOYSA-N 1 1 256.400 2.746 20 30 CFEDMO CSCCCC=[NH+]n1c(SC)nnc1SC ZINC000872417857 641803659 /nfs/dbraw/zinc/80/36/59/641803659.db2.gz RBKORNVTVZTYCD-UHFFFAOYSA-N 1 1 276.456 2.699 20 30 CFEDMO C=CC[C@H]1CCC[N@@H+](CN2CCC3(CCC3)C2=O)C1 ZINC000872623468 641879149 /nfs/dbraw/zinc/87/91/49/641879149.db2.gz BQTUPHYQCJTTFL-AWEZNQCLSA-N 1 1 262.397 2.635 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000872928853 641965367 /nfs/dbraw/zinc/96/53/67/641965367.db2.gz NAZLCHNARTVOBF-AWEZNQCLSA-N 1 1 281.444 2.620 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000873034046 641990938 /nfs/dbraw/zinc/99/09/38/641990938.db2.gz SERUGPBYNQCKIT-GOOCMWNKSA-N 1 1 293.455 2.903 20 30 CFEDMO C=CCN1CCC([NH2+]Cc2c(F)cccc2OCC)CC1 ZINC000873045860 641994686 /nfs/dbraw/zinc/99/46/86/641994686.db2.gz IQWDZQIJGWORHT-UHFFFAOYSA-N 1 1 292.398 2.964 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000873114661 642016084 /nfs/dbraw/zinc/01/60/84/642016084.db2.gz OQYOUZKEGJLMSR-CABCVRRESA-N 1 1 293.455 2.714 20 30 CFEDMO C#Cc1cccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000873893261 642305363 /nfs/dbraw/zinc/30/53/63/642305363.db2.gz CMTDCBNRXPAYBF-MRXNPFEDSA-N 1 1 268.360 2.623 20 30 CFEDMO C#CCN(CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(F)cc1 ZINC000125037900 642399802 /nfs/dbraw/zinc/39/98/02/642399802.db2.gz ZLPKXBPTGQZZCG-KRWDZBQOSA-N 1 1 274.383 2.745 20 30 CFEDMO CCCN(CC)CCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000083052932 650758450 /nfs/dbraw/zinc/75/84/50/650758450.db2.gz PPQKONJSMNQALW-UHFFFAOYSA-N 1 1 288.439 2.634 20 30 CFEDMO C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000874861143 642532737 /nfs/dbraw/zinc/53/27/37/642532737.db2.gz HPMPESVCUMWEEX-ZOBUZTSGSA-N 1 1 288.435 2.702 20 30 CFEDMO Cc1cc(F)c(C#N)cc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000874902985 642547687 /nfs/dbraw/zinc/54/76/87/642547687.db2.gz BVALMKNKDWEKJK-UHFFFAOYSA-N 1 1 291.370 2.922 20 30 CFEDMO CCCCCCCNC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000875765638 642683351 /nfs/dbraw/zinc/68/33/51/642683351.db2.gz UTGHJMPVOTVNGY-OAHLLOKOSA-N 1 1 281.444 2.835 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000876322478 642824392 /nfs/dbraw/zinc/82/43/92/642824392.db2.gz LCWRECJMCDLNJT-LSDHHAIUSA-N 1 1 293.455 2.714 20 30 CFEDMO CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(C#N)ccc1N(C)C ZINC000876536063 642909569 /nfs/dbraw/zinc/90/95/69/642909569.db2.gz UQHMUVOOSJODDC-BBRMVZONSA-N 1 1 287.407 2.624 20 30 CFEDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(C#N)ccc1N(C)C ZINC000876536063 642909572 /nfs/dbraw/zinc/90/95/72/642909572.db2.gz UQHMUVOOSJODDC-BBRMVZONSA-N 1 1 287.407 2.624 20 30 CFEDMO C[C@H](C#N)C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000876617477 642947337 /nfs/dbraw/zinc/94/73/37/642947337.db2.gz PDAZFRXWMRKQOQ-GFCCVEGCSA-N 1 1 283.416 2.629 20 30 CFEDMO C[C@H](C#N)C[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000876617477 642947340 /nfs/dbraw/zinc/94/73/40/642947340.db2.gz PDAZFRXWMRKQOQ-GFCCVEGCSA-N 1 1 283.416 2.629 20 30 CFEDMO CC1=CC[N@@H+](Cc2cc(C#N)ccc2N(C)C)CC1 ZINC000876749099 642992746 /nfs/dbraw/zinc/99/27/46/642992746.db2.gz IICYECSXOITEMY-UHFFFAOYSA-N 1 1 255.365 2.776 20 30 CFEDMO C#CCCCCCCN1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000876753895 642995918 /nfs/dbraw/zinc/99/59/18/642995918.db2.gz CCZDTMFKUPJODV-JKSUJKDBSA-N 1 1 250.430 2.985 20 30 CFEDMO C#CCCCCCC[N@H+]1C[C@H](C)N(CC)C[C@H]1C ZINC000876753895 642995909 /nfs/dbraw/zinc/99/59/09/642995909.db2.gz CCZDTMFKUPJODV-JKSUJKDBSA-N 1 1 250.430 2.985 20 30 CFEDMO C#CCCCCCCN1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000876753895 642995915 /nfs/dbraw/zinc/99/59/15/642995915.db2.gz CCZDTMFKUPJODV-JKSUJKDBSA-N 1 1 250.430 2.985 20 30 CFEDMO C[N@H+](CCc1nccs1)Cc1cc(C#N)cnc1Cl ZINC000876790532 643011121 /nfs/dbraw/zinc/01/11/21/643011121.db2.gz MKWSRGWWRJFDGF-UHFFFAOYSA-N 1 1 292.795 2.738 20 30 CFEDMO C[N@@H+](CCc1nccs1)Cc1cc(C#N)cnc1Cl ZINC000876790532 643011129 /nfs/dbraw/zinc/01/11/29/643011129.db2.gz MKWSRGWWRJFDGF-UHFFFAOYSA-N 1 1 292.795 2.738 20 30 CFEDMO COc1ccc(CNCC[NH+]2CCCCCC2)cc1C#N ZINC000087823898 650806221 /nfs/dbraw/zinc/80/62/21/650806221.db2.gz AXWCPYGGVKSLBC-UHFFFAOYSA-N 1 1 287.407 2.532 20 30 CFEDMO CCC[C@@H](C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1)OC ZINC000876816642 643023152 /nfs/dbraw/zinc/02/31/52/643023152.db2.gz NJSDZAZEVDPWTO-IRXDYDNUSA-N 1 1 288.391 2.747 20 30 CFEDMO CCC[C@@H](C[N@H+]1CCO[C@H](c2cccc(C#N)c2)C1)OC ZINC000876816642 643023157 /nfs/dbraw/zinc/02/31/57/643023157.db2.gz NJSDZAZEVDPWTO-IRXDYDNUSA-N 1 1 288.391 2.747 20 30 CFEDMO C#CCCCCCC[NH2+]C1CCN(C[C@@H]2CCOC2)CC1 ZINC000877054722 643123560 /nfs/dbraw/zinc/12/35/60/643123560.db2.gz KJJPEEPGKWOCNN-KRWDZBQOSA-N 1 1 292.467 2.661 20 30 CFEDMO COc1cnc(F)c(C[NH2+]C2(c3cccc(C#N)c3)CC2)c1 ZINC000877116886 643159179 /nfs/dbraw/zinc/15/91/79/643159179.db2.gz YNMALGKVHRVXSF-UHFFFAOYSA-N 1 1 297.333 2.880 20 30 CFEDMO C#CC[C@@H]([NH2+]Cc1cc2c(cn1)OCCO2)c1ccccc1 ZINC000877120190 643160852 /nfs/dbraw/zinc/16/08/52/643160852.db2.gz PJEMXAORCPLAPO-MRXNPFEDSA-N 1 1 294.354 2.707 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(OC)c(Cn2cccn2)c1 ZINC000877364364 643247974 /nfs/dbraw/zinc/24/79/74/643247974.db2.gz MHGSPJHMTMBING-INIZCTEOSA-N 1 1 298.390 2.722 20 30 CFEDMO C=CC[N@H+](C)CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000877427218 643266008 /nfs/dbraw/zinc/26/60/08/643266008.db2.gz WBLJOESEEVGPSK-UHFFFAOYSA-N 1 1 266.385 2.504 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000877470834 643289865 /nfs/dbraw/zinc/28/98/65/643289865.db2.gz NKVRAUBFZWVKDX-RDJZCZTQSA-N 1 1 299.418 2.659 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000877478224 643295352 /nfs/dbraw/zinc/29/53/52/643295352.db2.gz KVHKQXYGXOFJEQ-MGPQQGTHSA-N 1 1 295.427 2.771 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc2ccc(F)c(F)c2n1 ZINC000877479390 643296062 /nfs/dbraw/zinc/29/60/62/643296062.db2.gz CGJGSMXDANSKQQ-JTQLQIEISA-N 1 1 260.287 2.967 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000877504772 643315881 /nfs/dbraw/zinc/31/58/81/643315881.db2.gz RPLSVTFQTAYZLG-HNNXBMFYSA-N 1 1 286.423 2.822 20 30 CFEDMO C#C[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000877513687 643319910 /nfs/dbraw/zinc/31/99/10/643319910.db2.gz CIGJIINBXSUCTE-QMMMGPOBSA-N 1 1 272.226 2.725 20 30 CFEDMO C#C[C@H]([NH2+]Cc1nccc(C)c1Br)C(C)C ZINC000877513026 643320280 /nfs/dbraw/zinc/32/02/80/643320280.db2.gz JKFMIBMVIVKKEF-NSHDSACASA-N 1 1 281.197 2.900 20 30 CFEDMO CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1C[C@@H](C)CCC#N ZINC000877521696 643326295 /nfs/dbraw/zinc/32/62/95/643326295.db2.gz HLADKOWTJTUWEA-GJZGRUSLSA-N 1 1 295.427 2.869 20 30 CFEDMO C[C@]1(CCCO)CCC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877528499 643333298 /nfs/dbraw/zinc/33/32/98/643333298.db2.gz BWSZJDKAISVKPY-OAHLLOKOSA-N 1 1 293.798 2.734 20 30 CFEDMO N#Cc1cccc(CNc2cc(C3CC3)cc[nH+]2)n1 ZINC000877541839 643343519 /nfs/dbraw/zinc/34/35/19/643343519.db2.gz SSFGTUQZUOMDBW-UHFFFAOYSA-N 1 1 250.305 2.838 20 30 CFEDMO C#C[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(F)cc1 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C#C[C@H]1CCC[N@H+](CCCP(=O)(OCC)OCC)C1 ZINC000877616914 643402296 /nfs/dbraw/zinc/40/22/96/643402296.db2.gz INTDPTCFGSDSMB-AWEZNQCLSA-N 1 1 287.340 2.988 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2c(OC)cccc2OC)C1 ZINC000877616528 643402435 /nfs/dbraw/zinc/40/24/35/643402435.db2.gz DAQWWYXDNVFURB-CYBMUJFWSA-N 1 1 259.349 2.549 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2c(OC)cc(F)cc2OC)C1 ZINC000877617218 643403581 /nfs/dbraw/zinc/40/35/81/643403581.db2.gz MYKGMQHPOLLLOA-GFCCVEGCSA-N 1 1 277.339 2.688 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2c(OC)cc(F)cc2OC)C1 ZINC000877617218 643403590 /nfs/dbraw/zinc/40/35/90/643403590.db2.gz MYKGMQHPOLLLOA-GFCCVEGCSA-N 1 1 277.339 2.688 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](Cc2cnc3c(cnn3C)c2)C1 ZINC000877623791 643410382 /nfs/dbraw/zinc/41/03/82/643410382.db2.gz AIQRECFQWXIIAC-ZDUSSCGKSA-N 1 1 270.380 2.756 20 30 CFEDMO N#Cc1cnc(Cl)c(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)c1 ZINC000877628889 643413029 /nfs/dbraw/zinc/41/30/29/643413029.db2.gz MHEJGAOJFMTXEW-LSDHHAIUSA-N 1 1 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C#Cc1ccccc1CC(=O)N[C@@H]1CCCC[N@H+](C(C)C)C1 ZINC001034504920 780988671 /nfs/dbraw/zinc/98/86/71/780988671.db2.gz GDOOUTHPHJQEDF-GOSISDBHSA-N 1 1 298.430 2.590 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@@H](NC(=O)c2cccc(C)c2C)C1 ZINC001034517461 780989647 /nfs/dbraw/zinc/98/96/47/780989647.db2.gz YSWJLJVZEXSVIT-QGZVFWFLSA-N 1 1 298.430 2.911 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)Cc2ccccc2F)C1 ZINC001034520324 780993242 /nfs/dbraw/zinc/99/32/42/780993242.db2.gz VGJMKLMUDPNTNX-OAHLLOKOSA-N 1 1 290.382 2.525 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C2CCC=CCC2)C1 ZINC001034535305 780994065 /nfs/dbraw/zinc/99/40/65/780994065.db2.gz MEAKXZIUEVUZLR-QGZVFWFLSA-N 1 1 288.435 2.727 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)C2CCC(C)(C)CC2)C1 ZINC001034543347 780995408 /nfs/dbraw/zinc/99/54/08/780995408.db2.gz HNRZDFHPCLBDCV-INIZCTEOSA-N 1 1 290.451 2.807 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001034546872 780996664 /nfs/dbraw/zinc/99/66/64/780996664.db2.gz 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C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(F)(F)C3)[C@@H]2C1 ZINC001084392638 781792830 /nfs/dbraw/zinc/79/28/30/781792830.db2.gz XKHVXTQQPNWHGA-BFHYXJOUSA-N 1 1 298.377 2.531 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@@H]2CN(C(=O)C3C=CC=CC=C3)[C@@H]2C1 ZINC001084379922 781793055 /nfs/dbraw/zinc/79/30/55/781793055.db2.gz ZCEZBJGCKTZZII-QZTJIDSGSA-N 1 1 298.430 2.784 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)c3[nH]ccc3C3CC3)[C@@H]2C1 ZINC001084398277 781795688 /nfs/dbraw/zinc/79/56/88/781795688.db2.gz TUTDABRAYGLVQL-GDBMZVCRSA-N 1 1 299.418 2.615 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)Cc3ccccc3CC)[C@@H]2C1 ZINC001084444350 781796408 /nfs/dbraw/zinc/79/64/08/781796408.db2.gz ULSKJXRGLQCZOH-QZTJIDSGSA-N 1 1 298.430 2.510 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C3(C4CC4)CCC3)[C@@H]2C1 ZINC001084551336 781801000 /nfs/dbraw/zinc/80/10/00/781801000.db2.gz NAIOYPRBNALFNS-GDBMZVCRSA-N 1 1 288.435 2.676 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCc3cccc(C)c3)[C@@H]2C1 ZINC001084553778 781801644 /nfs/dbraw/zinc/80/16/44/781801644.db2.gz ZDSCNQIUILBLBV-QZTJIDSGSA-N 1 1 298.430 2.646 20 30 CFEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@H+](CC3CC(C)C3)C[C@H]21 ZINC001084578163 781802901 /nfs/dbraw/zinc/80/29/01/781802901.db2.gz MYMOWJMHCUXPOY-QDIHITRGSA-N 1 1 290.451 2.777 20 30 CFEDMO C=CC(C)(C)C(=O)N1C[C@H]2CC[N@@H+](CCC3CC3)C[C@H]21 ZINC001084574904 781807348 /nfs/dbraw/zinc/80/73/48/781807348.db2.gz SFKDFSCHYKIDRJ-HUUCEWRRSA-N 1 1 276.424 2.531 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC3CCC3)C[C@H]21 ZINC001084634949 781813118 /nfs/dbraw/zinc/81/31/18/781813118.db2.gz LCENRXUTLDRWLO-NUJGCVRESA-N 1 1 290.451 2.922 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC(C)(C)C3)[C@@H]2C1 ZINC001084639104 781813265 /nfs/dbraw/zinc/81/32/65/781813265.db2.gz FLEYKHPCGXELBS-ARFHVFGLSA-N 1 1 290.451 2.922 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@H+](CCCC)C[C@H]21 ZINC001084634747 781813400 /nfs/dbraw/zinc/81/34/00/781813400.db2.gz CLAACOHKMQPVGB-INMHGKMJSA-N 1 1 278.440 2.922 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N1C[C@H]2CC[N@@H+](CC(=C)C)C[C@H]21 ZINC001084635370 781813776 /nfs/dbraw/zinc/81/37/76/781813776.db2.gz YBCVMFDSGQMUPD-INMHGKMJSA-N 1 1 276.424 2.698 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CCC)[C@@H]2C1 ZINC001084642928 781815089 /nfs/dbraw/zinc/81/50/89/781815089.db2.gz JOILXCAMWVWSJS-QBPKDAKJSA-N 1 1 290.451 2.922 20 30 CFEDMO C#CC[N@H+]1CC[C@@H]2CN(C(=O)CC3CCCCCC3)[C@@H]2C1 ZINC001084687551 781821637 /nfs/dbraw/zinc/82/16/37/781821637.db2.gz IRGSEFPRARJLBS-IAGOWNOFSA-N 1 1 288.435 2.513 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CC3CCCCCC3)[C@@H]2C1 ZINC001084687551 781821646 /nfs/dbraw/zinc/82/16/46/781821646.db2.gz IRGSEFPRARJLBS-IAGOWNOFSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CC34CCCC4)[C@@H]2C1 ZINC001084758630 781830729 /nfs/dbraw/zinc/83/07/29/781830729.db2.gz VFGOXLZLJIFMCO-OWCLPIDISA-N 1 1 288.435 2.676 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccoc3CCC)[C@@H]2C1 ZINC001084774367 781832046 /nfs/dbraw/zinc/83/20/46/781832046.db2.gz JPLWCQLIBHGRJJ-UKRRQHHQSA-N 1 1 288.391 2.564 20 30 CFEDMO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2ccc(C)cn2)C1=O ZINC001273231429 781832868 /nfs/dbraw/zinc/83/28/68/781832868.db2.gz OZZQGOSLJITFDU-SFHVURJKSA-N 1 1 299.418 2.533 20 30 CFEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(C)cn2)C1=O ZINC001273231429 781832878 /nfs/dbraw/zinc/83/28/78/781832878.db2.gz OZZQGOSLJITFDU-SFHVURJKSA-N 1 1 299.418 2.533 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(C)cc3)[C@@H]2C1 ZINC001084793104 781837080 /nfs/dbraw/zinc/83/70/80/781837080.db2.gz KFEJUPKTFCKQHZ-IAGOWNOFSA-N 1 1 284.403 2.717 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(CC)CC)[C@@H]2C1 ZINC001084842070 781844789 /nfs/dbraw/zinc/84/47/89/781844789.db2.gz ZTKNTTUAFPTNQH-ZIAGYGMSSA-N 1 1 264.413 2.531 20 30 CFEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CCOC(C)C ZINC001098922939 781846045 /nfs/dbraw/zinc/84/60/45/781846045.db2.gz WEBLPDDDNWNMOW-OAHLLOKOSA-N 1 1 296.455 2.594 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(C4CC4)cc3)[C@@H]2C1 ZINC001084845637 781848082 /nfs/dbraw/zinc/84/80/82/781848082.db2.gz ZTDJWAXABPAFAQ-QZTJIDSGSA-N 1 1 296.414 2.896 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]2CN(C(=O)c3coc4ccccc34)[C@@H]2C1 ZINC001084867284 781849091 /nfs/dbraw/zinc/84/90/91/781849091.db2.gz GFGNAMYXWSRYRR-CZUORRHYSA-N 1 1 296.370 2.765 20 30 CFEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CSCCC ZINC001098926490 781855573 /nfs/dbraw/zinc/85/55/73/781855573.db2.gz AFGNNMGAECWLGJ-AWEZNQCLSA-N 1 1 298.496 2.922 20 30 CFEDMO C=CCC[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CC=CCC3)C[C@@H]21 ZINC001084888262 781856026 /nfs/dbraw/zinc/85/60/26/781856026.db2.gz FWGLUVPHIUWHAL-IKGGRYGDSA-N 1 1 288.435 2.842 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)C3CC(C)C3)C[C@@H]21 ZINC001084917894 781859609 /nfs/dbraw/zinc/85/96/09/781859609.db2.gz SUJFTVIVVZSZHE-CPWXKJDLSA-N 1 1 296.842 2.708 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC(C)C3)C[C@@H]21 ZINC001084917894 781859617 /nfs/dbraw/zinc/85/96/17/781859617.db2.gz SUJFTVIVVZSZHE-CPWXKJDLSA-N 1 1 296.842 2.708 20 30 CFEDMO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1CCC1 ZINC001230556110 781863344 /nfs/dbraw/zinc/86/33/44/781863344.db2.gz CZQCZLTZYSZOAJ-ZFWWWQNUSA-N 1 1 264.413 2.674 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C[C@@H]21 ZINC001084954160 781867096 /nfs/dbraw/zinc/86/70/96/781867096.db2.gz QROBWVYHSDBAFY-RDBSUJKOSA-N 1 1 298.377 2.531 20 30 CFEDMO CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)CCCC ZINC001230844091 781874748 /nfs/dbraw/zinc/87/47/48/781874748.db2.gz GCWDWASZQTYYST-JKSUJKDBSA-N 1 1 278.440 2.759 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)CCCC ZINC001230844091 781874756 /nfs/dbraw/zinc/87/47/56/781874756.db2.gz GCWDWASZQTYYST-JKSUJKDBSA-N 1 1 278.440 2.759 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H]2CC[N@H+](CCC)[C@H]2C1 ZINC001085023573 781882722 /nfs/dbraw/zinc/88/27/22/781882722.db2.gz KNPDVCFGEOUUML-VYDXJSESSA-N 1 1 278.440 2.922 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC(C)(C)C3)C[C@@H]21 ZINC001085025876 781882882 /nfs/dbraw/zinc/88/28/82/781882882.db2.gz KHHNPDHWSOTASJ-OAGGEKHMSA-N 1 1 290.451 2.922 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3CC)C[C@@H]21 ZINC001085038506 781884106 /nfs/dbraw/zinc/88/41/06/781884106.db2.gz SMEPOZBOAJELDW-VQHPVUNQSA-N 1 1 290.451 2.922 20 30 CFEDMO C=C(Cl)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C(C)C)C[C@@H]21 ZINC001085048613 781887985 /nfs/dbraw/zinc/88/79/85/781887985.db2.gz WSEBLYXAINFSTM-KFWWJZLASA-N 1 1 298.858 2.954 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H](C)C(C)C)C[C@@H]21 ZINC001085048613 781887994 /nfs/dbraw/zinc/88/79/94/781887994.db2.gz WSEBLYXAINFSTM-KFWWJZLASA-N 1 1 298.858 2.954 20 30 CFEDMO C=C(C)CN(C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000180659741 260108250 /nfs/dbraw/zinc/10/82/50/260108250.db2.gz SHLHXYWCWCHTFA-GASCZTMLSA-N 1 1 281.444 2.572 20 30 CFEDMO N#CCc1ccc(C[NH2+]Cc2cc3n(n2)CCCC3)cc1 ZINC000594507511 349434608 /nfs/dbraw/zinc/43/46/08/349434608.db2.gz FWUOWKQYEBDRKN-UHFFFAOYSA-N 1 1 280.375 2.575 20 30 CFEDMO C[C@H](CNCc1ccc(C(C)(C)C#N)cc1)C[NH+](C)C ZINC000594521733 349440627 /nfs/dbraw/zinc/44/06/27/349440627.db2.gz UCNCGAVBLFUWQF-CQSZACIVSA-N 1 1 273.424 2.775 20 30 CFEDMO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc2n(n1)CCCC2 ZINC000594525588 349442362 /nfs/dbraw/zinc/44/23/62/349442362.db2.gz WDJAIQKDWQYPKZ-GOSISDBHSA-N 1 1 292.386 2.868 20 30 CFEDMO Cc1nsc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1C#N ZINC000594603937 349459712 /nfs/dbraw/zinc/45/97/12/349459712.db2.gz WMFHNHWVGQIHIK-QWHCGFSZSA-N 1 1 276.409 2.752 20 30 CFEDMO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc(C#N)cc1 ZINC000594710843 349478838 /nfs/dbraw/zinc/47/88/38/349478838.db2.gz MNRYVDVFSHRXAI-SUNKGSAMSA-N 1 1 267.336 2.506 20 30 CFEDMO Cc1[nH+]ccn1CCCSc1ccncc1C#N ZINC000594912128 349502866 /nfs/dbraw/zinc/50/28/66/349502866.db2.gz UZIJAMZIPJPDCB-UHFFFAOYSA-N 1 1 258.350 2.641 20 30 CFEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)CCN1C ZINC000594923107 349509245 /nfs/dbraw/zinc/50/92/45/349509245.db2.gz SGPIPJWHQRYTQY-PBHICJAKSA-N 1 1 283.419 2.814 20 30 CFEDMO C[C@@H]1C[C@@H](NCc2ccc(C3(C#N)CC3)cc2)CC[N@@H+]1C ZINC000594923107 349509248 /nfs/dbraw/zinc/50/92/48/349509248.db2.gz SGPIPJWHQRYTQY-PBHICJAKSA-N 1 1 283.419 2.814 20 30 CFEDMO C[C@@H]1C[C@@H](NCc2ccc(C3(C#N)CC3)cc2)CC[N@H+]1C ZINC000594923107 349509253 /nfs/dbraw/zinc/50/92/53/349509253.db2.gz SGPIPJWHQRYTQY-PBHICJAKSA-N 1 1 283.419 2.814 20 30 CFEDMO CC[N@H+](CCNCc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000594925424 349511103 /nfs/dbraw/zinc/51/11/03/349511103.db2.gz LLZCOCASRLBARW-UHFFFAOYSA-N 1 1 283.419 2.816 20 30 CFEDMO CC[N@@H+](CCNCc1ccc(C2(C#N)CC2)cc1)C1CC1 ZINC000594925424 349511105 /nfs/dbraw/zinc/51/11/05/349511105.db2.gz LLZCOCASRLBARW-UHFFFAOYSA-N 1 1 283.419 2.816 20 30 CFEDMO N#CC1(c2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000594926935 349512162 /nfs/dbraw/zinc/51/21/62/349512162.db2.gz XZDPCMNLKRIOKG-QZTJIDSGSA-N 1 1 295.430 2.958 20 30 CFEDMO N#CC1(c2ccc(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)CC1 ZINC000594926935 349512164 /nfs/dbraw/zinc/51/21/64/349512164.db2.gz XZDPCMNLKRIOKG-QZTJIDSGSA-N 1 1 295.430 2.958 20 30 CFEDMO C[NH+](C)CC(C)(C)CNCc1ccc(C2(C#N)CC2)cc1 ZINC000594928588 349513176 /nfs/dbraw/zinc/51/31/76/349513176.db2.gz PBVFNZICCARKIV-UHFFFAOYSA-N 1 1 285.435 2.919 20 30 CFEDMO CN(C)CC(C)(C)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594928588 349513178 /nfs/dbraw/zinc/51/31/78/349513178.db2.gz PBVFNZICCARKIV-UHFFFAOYSA-N 1 1 285.435 2.919 20 30 CFEDMO N#CC1(c2ccc(C[NH2+][C@@H]3CCc4cn[nH]c4C3)cc2)CC1 ZINC000594932720 349516243 /nfs/dbraw/zinc/51/62/43/349516243.db2.gz SKFXANGOISMTSK-MRXNPFEDSA-N 1 1 292.386 2.612 20 30 CFEDMO CC(C)(C)OC(=O)[C@@H]1CCC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000407993083 260156238 /nfs/dbraw/zinc/15/62/38/260156238.db2.gz KQCSBQWRSWGLPW-MJBXVCDLSA-N 1 1 278.396 2.732 20 30 CFEDMO C=C(C)c1cccc(NC(=O)NC[C@H]2CC[N@@H+]2CC)c1 ZINC000934886403 649847595 /nfs/dbraw/zinc/84/75/95/649847595.db2.gz HZWVIJSYEROCJN-OAHLLOKOSA-N 1 1 273.380 2.935 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@H](NCc2ccc(C#N)cc2F)C1 ZINC000594957150 349529344 /nfs/dbraw/zinc/52/93/44/349529344.db2.gz OLFLCUMIXFYBBC-CQSZACIVSA-N 1 1 275.371 2.660 20 30 CFEDMO CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000594957150 349529348 /nfs/dbraw/zinc/52/93/48/349529348.db2.gz OLFLCUMIXFYBBC-CQSZACIVSA-N 1 1 275.371 2.660 20 30 CFEDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C#N)cc2)c2ncnn21 ZINC000594955826 349528312 /nfs/dbraw/zinc/52/83/12/349528312.db2.gz BHQSIDGTTCOBKW-IUODEOHRSA-N 1 1 295.390 2.875 20 30 CFEDMO Cc1c[nH]nc1C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000594967881 349534137 /nfs/dbraw/zinc/53/41/37/349534137.db2.gz INUIQEFYJNEIDX-UHFFFAOYSA-N 1 1 254.337 2.615 20 30 CFEDMO Cc1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)nn1C ZINC000594966925 349534211 /nfs/dbraw/zinc/53/42/11/349534211.db2.gz DKQDWVJIVFLJHM-UHFFFAOYSA-N 1 1 268.364 2.625 20 30 CFEDMO CC(C)([NH2+]Cc1nc(C#N)cs1)c1cccc(C#N)c1 ZINC000594968648 349535349 /nfs/dbraw/zinc/53/53/49/349535349.db2.gz LVVKRCGHXATEEK-UHFFFAOYSA-N 1 1 282.372 2.911 20 30 CFEDMO N#CC1(C[NH2+]Cc2cnc(C3CC3)nc2)CCCCC1 ZINC000594981944 349538000 /nfs/dbraw/zinc/53/80/00/349538000.db2.gz VXIWDKMNJYQGBW-UHFFFAOYSA-N 1 1 270.380 2.918 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C#N)cc2C)[C@H](C)C1 ZINC000125192472 187173899 /nfs/dbraw/zinc/17/38/99/187173899.db2.gz WCONEAVVFWVZPT-RHSMWYFYSA-N 1 1 299.418 2.669 20 30 CFEDMO CCOc1ccc(NCc2ccc(OC)c(C#N)c2)[nH+]c1C ZINC000595001406 349544397 /nfs/dbraw/zinc/54/43/97/349544397.db2.gz UAOOTOSZXXASLC-UHFFFAOYSA-N 1 1 297.358 2.703 20 30 CFEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@H+](C)CC1CCCC1 ZINC000083189424 178352799 /nfs/dbraw/zinc/35/27/99/178352799.db2.gz OJZJKNLXCNASGP-MRXNPFEDSA-N 1 1 286.375 2.894 20 30 CFEDMO COC(=O)[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC1CCCC1 ZINC000083189424 178352801 /nfs/dbraw/zinc/35/28/01/178352801.db2.gz OJZJKNLXCNASGP-MRXNPFEDSA-N 1 1 286.375 2.894 20 30 CFEDMO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3cc(C#N)ccc32)c2ncnn21 ZINC000595062877 349571123 /nfs/dbraw/zinc/57/11/23/349571123.db2.gz ADSRNCDNTDVUHM-LYRGGWFBSA-N 1 1 293.374 2.823 20 30 CFEDMO CC[N@H+]1CC[C@@H](NCC2(C#N)CCCCC2)[C@H](C)C1 ZINC000595091034 349578479 /nfs/dbraw/zinc/57/84/79/349578479.db2.gz MATZWJAXFGKTPO-HUUCEWRRSA-N 1 1 263.429 2.780 20 30 CFEDMO CCC[N@@H+]1CC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000595097194 349581301 /nfs/dbraw/zinc/58/13/01/349581301.db2.gz RWXCCUOIMRIOMM-WBVHZDCISA-N 1 1 269.392 2.619 20 30 CFEDMO CCC[N@H+]1CC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000595097194 349581305 /nfs/dbraw/zinc/58/13/05/349581305.db2.gz RWXCCUOIMRIOMM-WBVHZDCISA-N 1 1 269.392 2.619 20 30 CFEDMO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)c(F)c1)c1nccn1C ZINC000595106832 349582969 /nfs/dbraw/zinc/58/29/69/349582969.db2.gz MMXQTITYPPCZSD-QWRGUYRKSA-N 1 1 272.327 2.843 20 30 CFEDMO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1nccn1C ZINC000595107664 349583033 /nfs/dbraw/zinc/58/30/33/349583033.db2.gz PHRLXNLIUYYEOF-XHDPSFHLSA-N 1 1 266.348 2.630 20 30 CFEDMO CO[C@H](C[N@@H+](C)Cc1ccc(C#N)cc1)C1CCC1 ZINC000595289892 349591905 /nfs/dbraw/zinc/59/19/05/349591905.db2.gz RBLXGGSUPIVIKM-MRXNPFEDSA-N 1 1 258.365 2.805 20 30 CFEDMO CCC[N@H+](Cc1cc(OC)no1)Cc1ccc(C#N)cc1 ZINC000595291906 349592616 /nfs/dbraw/zinc/59/26/16/349592616.db2.gz XENVHRGMXFLHSL-UHFFFAOYSA-N 1 1 285.347 2.967 20 30 CFEDMO CCC[N@@H+](Cc1cc(OC)no1)Cc1ccc(C#N)cc1 ZINC000595291906 349592618 /nfs/dbraw/zinc/59/26/18/349592618.db2.gz XENVHRGMXFLHSL-UHFFFAOYSA-N 1 1 285.347 2.967 20 30 CFEDMO Cc1ncc(C[N@@H+](C)CCc2ccc(C#N)cc2)s1 ZINC000595297824 349596230 /nfs/dbraw/zinc/59/62/30/349596230.db2.gz PFOUIEPTSZHJDD-UHFFFAOYSA-N 1 1 271.389 2.998 20 30 CFEDMO C[C@H](C(=O)OC(C)(C)C)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595346829 349607799 /nfs/dbraw/zinc/60/77/99/349607799.db2.gz MECZLSDBGPLGPZ-CYBMUJFWSA-N 1 1 288.391 2.763 20 30 CFEDMO C[C@H](C(=O)OC(C)(C)C)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595346829 349607801 /nfs/dbraw/zinc/60/78/01/349607801.db2.gz MECZLSDBGPLGPZ-CYBMUJFWSA-N 1 1 288.391 2.763 20 30 CFEDMO CCN1CCC([N@@H+](C)CCc2ccc(C#N)cc2)CC1 ZINC000595349115 349609015 /nfs/dbraw/zinc/60/90/15/349609015.db2.gz YLSWRGGCZYHLON-UHFFFAOYSA-N 1 1 271.408 2.517 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000595351784 349609831 /nfs/dbraw/zinc/60/98/31/349609831.db2.gz HNUBNAPAYFYPNA-GOSISDBHSA-N 1 1 293.370 2.649 20 30 CFEDMO C[C@@H](C#N)CN(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000595390591 349614524 /nfs/dbraw/zinc/61/45/24/349614524.db2.gz YVWSNTMGPNZBKH-ZNMIVQPWSA-N 1 1 263.429 2.588 20 30 CFEDMO CO[C@H]1CCC[N@@H+](CCc2ccc(C#N)cc2)CC1 ZINC000595424127 349621331 /nfs/dbraw/zinc/62/13/31/349621331.db2.gz FOCOZPKKEYZHKY-INIZCTEOSA-N 1 1 258.365 2.602 20 30 CFEDMO CO[C@H](C[N@H+]1CCC[C@](C)(C#N)C1)C1CCCC1 ZINC000595425084 349621419 /nfs/dbraw/zinc/62/14/19/349621419.db2.gz IYZGFILPGRAPSE-HUUCEWRRSA-N 1 1 250.386 2.817 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000595437221 349626009 /nfs/dbraw/zinc/62/60/09/349626009.db2.gz DVIZZUNPSFTYFG-UHFFFAOYSA-N 1 1 270.376 2.603 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCc3ncsc3C2)cc1 ZINC000595451138 349630912 /nfs/dbraw/zinc/63/09/12/349630912.db2.gz RYLNPDGBHMIYKW-UHFFFAOYSA-N 1 1 269.373 2.616 20 30 CFEDMO CCC[C@@]1(CO)CCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595464488 349634567 /nfs/dbraw/zinc/63/45/67/349634567.db2.gz ILRBMTXJNJSGPF-KRWDZBQOSA-N 1 1 272.392 2.728 20 30 CFEDMO C[C@@H]1CCSCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595462196 349634746 /nfs/dbraw/zinc/63/47/46/349634746.db2.gz RRWLPYWDYISWMN-CYBMUJFWSA-N 1 1 260.406 2.928 20 30 CFEDMO CC[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC000125577576 187191656 /nfs/dbraw/zinc/19/16/56/187191656.db2.gz VDBVYPALALLOSE-LBPRGKRZSA-N 1 1 282.347 2.840 20 30 CFEDMO N#Cc1ccc(CC[N@@H+]2CCCCC[C@H]2CCO)cc1 ZINC000595474204 349637859 /nfs/dbraw/zinc/63/78/59/349637859.db2.gz DOEFLZNULBTZQU-KRWDZBQOSA-N 1 1 272.392 2.728 20 30 CFEDMO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2ccc(C#N)c(C)c2)n1 ZINC000595525440 349650765 /nfs/dbraw/zinc/65/07/65/349650765.db2.gz GJJGLYKNKNIFGL-UHFFFAOYSA-N 1 1 296.374 2.696 20 30 CFEDMO CC[C@]1(CO)CCC[N@@H+](Cc2cc(C#N)cs2)C1 ZINC000190222749 529425067 /nfs/dbraw/zinc/42/50/67/529425067.db2.gz WTVUIESFNYRREU-AWEZNQCLSA-N 1 1 264.394 2.604 20 30 CFEDMO C[C@@H]1CN([C@@H](C#N)c2ccccc2)CC[N@H+](C2CC2)C1 ZINC000595506688 349645665 /nfs/dbraw/zinc/64/56/65/349645665.db2.gz GGEUUMXCOQNQBW-YOEHRIQHSA-N 1 1 269.392 2.667 20 30 CFEDMO CC[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)[C@H](C)CO1 ZINC000595561036 349659616 /nfs/dbraw/zinc/65/96/16/349659616.db2.gz YQLYLLDOBWLDHX-CZUORRHYSA-N 1 1 258.365 2.600 20 30 CFEDMO N#CC[C@@]1(O)CC[N@@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000595559488 349659692 /nfs/dbraw/zinc/65/96/92/349659692.db2.gz SXHOVPUAODALRT-KBAYOESNSA-N 1 1 284.403 2.921 20 30 CFEDMO CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCSCC#N)[C@@H]1C ZINC000595554963 349658191 /nfs/dbraw/zinc/65/81/91/349658191.db2.gz UGTVPTHIWFZCAK-BFHYXJOUSA-N 1 1 298.452 2.685 20 30 CFEDMO CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595610213 349674625 /nfs/dbraw/zinc/67/46/25/349674625.db2.gz TYWGJSWAALDKKW-HOTGVXAUSA-N 1 1 293.455 2.943 20 30 CFEDMO CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595610213 349674627 /nfs/dbraw/zinc/67/46/27/349674627.db2.gz TYWGJSWAALDKKW-HOTGVXAUSA-N 1 1 293.455 2.943 20 30 CFEDMO C[C@H](C(=O)N(C)c1ccccc1)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595609916 349674853 /nfs/dbraw/zinc/67/48/53/349674853.db2.gz QHOUIVLMFXMHAD-HUUCEWRRSA-N 1 1 285.391 2.664 20 30 CFEDMO C[C@H](C(=O)N(C)c1ccccc1)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609916 349674858 /nfs/dbraw/zinc/67/48/58/349674858.db2.gz QHOUIVLMFXMHAD-HUUCEWRRSA-N 1 1 285.391 2.664 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000595612638 349676276 /nfs/dbraw/zinc/67/62/76/349676276.db2.gz YXLDBVLUKHPAJA-ZDUSSCGKSA-N 1 1 289.335 2.599 20 30 CFEDMO COC(=O)c1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(C)o1 ZINC000595615677 349676989 /nfs/dbraw/zinc/67/69/89/349676989.db2.gz RMWRHXUVQOQYJG-GFCCVEGCSA-N 1 1 276.336 2.500 20 30 CFEDMO COC(=O)c1cc(C[N@H+]2CCC[C@H](CC#N)C2)c(C)o1 ZINC000595615677 349676991 /nfs/dbraw/zinc/67/69/91/349676991.db2.gz RMWRHXUVQOQYJG-GFCCVEGCSA-N 1 1 276.336 2.500 20 30 CFEDMO CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cn1 ZINC000595616864 349677516 /nfs/dbraw/zinc/67/75/16/349677516.db2.gz ONIXSLYEKPGSQV-CYBMUJFWSA-N 1 1 260.385 2.764 20 30 CFEDMO CC(C)(C)n1cc(C[N@H+]2CCC[C@H](CC#N)C2)cn1 ZINC000595616864 349677520 /nfs/dbraw/zinc/67/75/20/349677520.db2.gz ONIXSLYEKPGSQV-CYBMUJFWSA-N 1 1 260.385 2.764 20 30 CFEDMO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595614399 349677675 /nfs/dbraw/zinc/67/76/75/349677675.db2.gz HKCBMLKOVCMYAL-OAGGEKHMSA-N 1 1 291.439 2.649 20 30 CFEDMO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595614399 349677680 /nfs/dbraw/zinc/67/76/80/349677680.db2.gz HKCBMLKOVCMYAL-OAGGEKHMSA-N 1 1 291.439 2.649 20 30 CFEDMO C=CC[N@@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)COC ZINC000595639689 349685520 /nfs/dbraw/zinc/68/55/20/349685520.db2.gz WJJIOSYTQCFGAP-AWEZNQCLSA-N 1 1 258.365 2.890 20 30 CFEDMO CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595621930 349680905 /nfs/dbraw/zinc/68/09/05/349680905.db2.gz ZXXIBQHUOJFIRX-ZIAGYGMSSA-N 1 1 266.385 2.590 20 30 CFEDMO CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H](CC#N)C1 ZINC000595621930 349680908 /nfs/dbraw/zinc/68/09/08/349680908.db2.gz ZXXIBQHUOJFIRX-ZIAGYGMSSA-N 1 1 266.385 2.590 20 30 CFEDMO COc1nc(C)cc(C)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623684 349681057 /nfs/dbraw/zinc/68/10/57/349681057.db2.gz XFDWKXVJJRBHSE-AWEZNQCLSA-N 1 1 273.380 2.833 20 30 CFEDMO COc1nc(C)cc(C)c1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC000595623684 349681061 /nfs/dbraw/zinc/68/10/61/349681061.db2.gz XFDWKXVJJRBHSE-AWEZNQCLSA-N 1 1 273.380 2.833 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(C(=O)OC)o2)C1 ZINC000595659122 349693753 /nfs/dbraw/zinc/69/37/53/349693753.db2.gz KRCXLVJBPSRXLA-GFCCVEGCSA-N 1 1 263.337 2.854 20 30 CFEDMO C=CC[C@@H]1CCC[N@@H+](CC(=O)NC2(C#N)CCCCC2)C1 ZINC000595661320 349693793 /nfs/dbraw/zinc/69/37/93/349693793.db2.gz YNZRSGADOJMUFW-OAHLLOKOSA-N 1 1 289.423 2.617 20 30 CFEDMO C=CC[N@H+](Cc1ccc(C(=O)OC)s1)[C@H](C)COC ZINC000595647261 349689088 /nfs/dbraw/zinc/68/90/88/349689088.db2.gz NSFPIXIKCGYOHR-LLVKDONJSA-N 1 1 283.393 2.558 20 30 CFEDMO C=CC[N@@H+](Cc1ccc(C(=O)OC)s1)[C@H](C)COC ZINC000595647261 349689091 /nfs/dbraw/zinc/68/90/91/349689091.db2.gz NSFPIXIKCGYOHR-LLVKDONJSA-N 1 1 283.393 2.558 20 30 CFEDMO COc1ccc(C[N@@H+]2CC3(CCC3)OC[C@@H]2C)cc1C#N ZINC000595679162 349698635 /nfs/dbraw/zinc/69/86/35/349698635.db2.gz BBRWWZMSNCRDMN-ZDUSSCGKSA-N 1 1 286.375 2.710 20 30 CFEDMO COc1ccc(C[N@H+]2CC3(CCC3)OC[C@@H]2C)cc1C#N ZINC000595679162 349698638 /nfs/dbraw/zinc/69/86/38/349698638.db2.gz BBRWWZMSNCRDMN-ZDUSSCGKSA-N 1 1 286.375 2.710 20 30 CFEDMO C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000595681863 349699162 /nfs/dbraw/zinc/69/91/62/349699162.db2.gz NSTVJMCQRLJRBO-CYBMUJFWSA-N 1 1 256.349 2.702 20 30 CFEDMO C[C@@H]1COC2(CCC2)C[N@H+]1Cc1ccc(C#N)cc1 ZINC000595681863 349699166 /nfs/dbraw/zinc/69/91/66/349699166.db2.gz NSTVJMCQRLJRBO-CYBMUJFWSA-N 1 1 256.349 2.702 20 30 CFEDMO C[C@@H]1COC2(CCC2)C[N@H+]1CCCC1(C#N)CCOCC1 ZINC000595684018 349699423 /nfs/dbraw/zinc/69/94/23/349699423.db2.gz YUEFDOFYQLUVBC-OAHLLOKOSA-N 1 1 292.423 2.730 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595688977 349700891 /nfs/dbraw/zinc/70/08/91/349700891.db2.gz MEBGIUAEOAOBIG-RRQGHBQHSA-N 1 1 270.376 2.978 20 30 CFEDMO C[C@H](CO)[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1C#N ZINC000595671985 349695691 /nfs/dbraw/zinc/69/56/91/349695691.db2.gz GYENMARJRVLGRX-MLGOLLRUSA-N 1 1 276.355 2.680 20 30 CFEDMO C[C@@H](CO)[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000595671513 349696227 /nfs/dbraw/zinc/69/62/27/349696227.db2.gz SPDLGOSNPZFZQT-BBRMVZONSA-N 1 1 258.365 2.541 20 30 CFEDMO C[C@H]1CCC[N@@H+](Cc2ccc(CC#N)cc2)[C@H]1CCO ZINC000595696255 349706128 /nfs/dbraw/zinc/70/61/28/349706128.db2.gz JWDTWOSUSQUTNB-YOEHRIQHSA-N 1 1 272.392 2.736 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595751493 349722357 /nfs/dbraw/zinc/72/23/57/349722357.db2.gz RJOWGGYRVKTOFX-GUYCJALGSA-N 1 1 270.376 2.856 20 30 CFEDMO CCC1(CC)CCC[N@H+]([C@H](C)C(=O)NC2(C#N)CCC2)C1 ZINC000595751985 349722970 /nfs/dbraw/zinc/72/29/70/349722970.db2.gz HMGAIXNXIZNHEN-CQSZACIVSA-N 1 1 291.439 2.840 20 30 CFEDMO C[C@]12COC[C@H]1C[N@@H+](Cc1ccc(C#N)cc1Cl)C2 ZINC000595755648 349724382 /nfs/dbraw/zinc/72/43/82/349724382.db2.gz CDNWDHDXQUJBBG-HIFRSBDPSA-N 1 1 276.767 2.680 20 30 CFEDMO C[C@@H]1COC2(CCCC2)C[N@H+]1CCCSCC#N ZINC000595815089 349739301 /nfs/dbraw/zinc/73/93/01/349739301.db2.gz LEMAOOUDYPBHQW-CYBMUJFWSA-N 1 1 268.426 2.667 20 30 CFEDMO CN(c1ccccc1)[C@H]1CC[N@@H+](CCCSCC#N)C1 ZINC000595825202 349743408 /nfs/dbraw/zinc/74/34/08/349743408.db2.gz CVLCWAYWTHSKSH-INIZCTEOSA-N 1 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/nfs/dbraw/zinc/65/90/70/348659070.db2.gz HHDOEHIDUJUCFW-UHFFFAOYSA-N 1 1 259.136 2.875 20 30 CFEDMO C=CCCCCC[N@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000451754307 348622439 /nfs/dbraw/zinc/62/24/39/348622439.db2.gz ISIXRWOOCIJGIR-QGZVFWFLSA-N 1 1 257.443 2.966 20 30 CFEDMO C=CCCC[C@H](C)[N@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000451751666 348622529 /nfs/dbraw/zinc/62/25/29/348622529.db2.gz CHWDOJJJZUSVBK-GUYCJALGSA-N 1 1 257.443 2.964 20 30 CFEDMO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ncsc1C(C)C ZINC000491621032 348629458 /nfs/dbraw/zinc/62/94/58/348629458.db2.gz CSGMBARKDPONTF-GFCCVEGCSA-N 1 1 292.404 2.521 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1ncsc1C(C)C ZINC000491621032 348629462 /nfs/dbraw/zinc/62/94/62/348629462.db2.gz CSGMBARKDPONTF-GFCCVEGCSA-N 1 1 292.404 2.521 20 30 CFEDMO C=CC[N@@H+](CCOC)Cc1scnc1C1CC1 ZINC000425984805 539660429 /nfs/dbraw/zinc/66/04/29/539660429.db2.gz LSRIWITZZXXWJA-UHFFFAOYSA-N 1 1 252.383 2.655 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1scnc1C1CC1 ZINC000425984805 539660433 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PKDUJNLBLRPALT-WBVHZDCISA-N 1 1 292.386 2.711 20 30 CFEDMO CCCO[C@H]1CCC[N@H+](Cc2ccncc2C#N)CC1 ZINC000592070079 349078297 /nfs/dbraw/zinc/07/82/97/349078297.db2.gz FPMPQJVAGVFHRM-INIZCTEOSA-N 1 1 273.380 2.734 20 30 CFEDMO CCCO[C@H]1CCC[N@@H+](Cc2ccncc2C#N)CC1 ZINC000592070079 349078299 /nfs/dbraw/zinc/07/82/99/349078299.db2.gz FPMPQJVAGVFHRM-INIZCTEOSA-N 1 1 273.380 2.734 20 30 CFEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccncc1C#N ZINC000592082811 349080782 /nfs/dbraw/zinc/08/07/82/349080782.db2.gz QBIPAIDUIFCXOO-ACJLOTCBSA-N 1 1 293.370 2.777 20 30 CFEDMO C[C@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1ccncc1C#N ZINC000592082811 349080783 /nfs/dbraw/zinc/08/07/83/349080783.db2.gz QBIPAIDUIFCXOO-ACJLOTCBSA-N 1 1 293.370 2.777 20 30 CFEDMO Cc1cnc(CC[N@@H+](C[C@@H](C)C#N)C2CC2)c(C)c1 ZINC000592087695 349081273 /nfs/dbraw/zinc/08/12/73/349081273.db2.gz RSCQURGORUXJGR-ZDUSSCGKSA-N 1 1 257.381 2.865 20 30 CFEDMO Cc1cnc(CC[N@H+](C[C@@H](C)C#N)C2CC2)c(C)c1 ZINC000592087695 349081276 /nfs/dbraw/zinc/08/12/76/349081276.db2.gz RSCQURGORUXJGR-ZDUSSCGKSA-N 1 1 257.381 2.865 20 30 CFEDMO CC1(C)C[N@@H+](Cc2ccncc2C#N)[C@H]2CCC[C@@H]21 ZINC000592123149 349086613 /nfs/dbraw/zinc/08/66/13/349086613.db2.gz XRCBCAJJVMRJSF-GJZGRUSLSA-N 1 1 255.365 2.964 20 30 CFEDMO N#Cc1cnccc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000592124358 349086644 /nfs/dbraw/zinc/08/66/44/349086644.db2.gz DKWCLBHIAQAPDZ-SJORKVTESA-N 1 1 297.402 2.734 20 30 CFEDMO C[C@]12C[N@@H+](Cc3ccncc3C#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000592124362 349086848 /nfs/dbraw/zinc/08/68/48/349086848.db2.gz DOGJMYAILGIJBD-ISWURRPUSA-N 1 1 267.376 2.821 20 30 CFEDMO CSC[C@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000592123129 349086870 /nfs/dbraw/zinc/08/68/70/349086870.db2.gz WMPUDMASKKUZIR-LBPRGKRZSA-N 1 1 261.394 2.528 20 30 CFEDMO CSC[C@H]1CCC[N@@H+](Cc2ccncc2C#N)C1 ZINC000592123129 349086873 /nfs/dbraw/zinc/08/68/73/349086873.db2.gz WMPUDMASKKUZIR-LBPRGKRZSA-N 1 1 261.394 2.528 20 30 CFEDMO C[C@@]12C[N@@H+](Cc3ccncc3C#N)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000592127144 349087915 /nfs/dbraw/zinc/08/79/15/349087915.db2.gz UNEDQNJKHSIUEP-ZCPGHIKRSA-N 1 1 265.360 2.597 20 30 CFEDMO CC(C)O[C@@H]1CC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000592134062 349089077 /nfs/dbraw/zinc/08/90/77/349089077.db2.gz IMEKJZUQYHMRLT-OAHLLOKOSA-N 1 1 283.375 2.810 20 30 CFEDMO CC(C)O[C@@H]1CC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000592134062 349089080 /nfs/dbraw/zinc/08/90/80/349089080.db2.gz IMEKJZUQYHMRLT-OAHLLOKOSA-N 1 1 283.375 2.810 20 30 CFEDMO CC(C)c1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592147730 349091040 /nfs/dbraw/zinc/09/10/40/349091040.db2.gz NXPCFGKNPOJGKG-MRXNPFEDSA-N 1 1 258.365 2.660 20 30 CFEDMO N#CC[C@@]1(O)CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000592148086 349091411 /nfs/dbraw/zinc/09/14/11/349091411.db2.gz QTFKSXYWDDMFGW-QGZVFWFLSA-N 1 1 266.344 2.690 20 30 CFEDMO C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592146960 349091625 /nfs/dbraw/zinc/09/16/25/349091625.db2.gz 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ZDRDQDHQONEOMN-NSHDSACASA-N 1 1 299.330 2.574 20 30 CFEDMO CC1(C)CCC[N@@H+](CCNC(=O)c2ccccc2CC#N)C1 ZINC000601538566 350737954 /nfs/dbraw/zinc/73/79/54/350737954.db2.gz JJQXPHWDJNQFIF-UHFFFAOYSA-N 1 1 299.418 2.604 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](C(F)F)CC1 ZINC000601975290 350822394 /nfs/dbraw/zinc/82/23/94/350822394.db2.gz MXTLGJHQCVCGQK-FZMZJTMJSA-N 1 1 280.318 2.975 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601973655 350822558 /nfs/dbraw/zinc/82/25/58/350822558.db2.gz IEGAHZSFVWFBIZ-LLVKDONJSA-N 1 1 260.328 2.672 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601975289 350822618 /nfs/dbraw/zinc/82/26/18/350822618.db2.gz MXTLGJHQCVCGQK-BXUZGUMPSA-N 1 1 280.318 2.975 20 30 CFEDMO CC1(C)C[NH2+]CC[C@@H](N[C@H]2CCc3ccc(C#N)cc32)C1 ZINC000602019102 350833150 /nfs/dbraw/zinc/83/31/50/350833150.db2.gz AVEGEOJEFAKZQI-WBVHZDCISA-N 1 1 283.419 2.913 20 30 CFEDMO C[N@@H+]1CCC[C@@H](CCNCc2cccc(F)c2C#N)C1 ZINC000602019334 350833292 /nfs/dbraw/zinc/83/32/92/350833292.db2.gz DVZFTUBNNKDVRZ-ZDUSSCGKSA-N 1 1 275.371 2.519 20 30 CFEDMO C[N@H+]1CCC[C@@H](CCNCc2cccc(F)c2C#N)C1 ZINC000602019334 350833294 /nfs/dbraw/zinc/83/32/94/350833294.db2.gz DVZFTUBNNKDVRZ-ZDUSSCGKSA-N 1 1 275.371 2.519 20 30 CFEDMO N#Cc1c(F)cccc1C[NH2+]CCOCC1CCCC1 ZINC000602020195 350834217 /nfs/dbraw/zinc/83/42/17/350834217.db2.gz LFYNGINZWLIOTL-UHFFFAOYSA-N 1 1 276.355 2.994 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000602164763 350848499 /nfs/dbraw/zinc/84/84/99/350848499.db2.gz CWLGUFVKZNOXOV-CJNGLKHVSA-N 1 1 285.391 2.562 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H](CNCc2cccc(F)c2C#N)C1 ZINC000602003253 350828031 /nfs/dbraw/zinc/82/80/31/350828031.db2.gz SLMZFIIHAFTWSL-AWEZNQCLSA-N 1 1 289.398 2.907 20 30 CFEDMO CC[N@@H+](CCc1nccs1)C[C@@H](C)CCC#N ZINC000602479385 350899794 /nfs/dbraw/zinc/89/97/94/350899794.db2.gz JVLBLNVCLKRNQJ-LBPRGKRZSA-N 1 1 251.399 2.947 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000602480809 350900000 /nfs/dbraw/zinc/90/00/00/350900000.db2.gz YUVIQZLKYSMBGC-UKRRQHHQSA-N 1 1 250.386 2.675 20 30 CFEDMO C[C@@H](C#N)C[N@H+](Cc1ccc2nccnc2c1)C1CC1 ZINC000602482881 350900581 /nfs/dbraw/zinc/90/05/81/350900581.db2.gz GZJMBCQAJAMNPC-LBPRGKRZSA-N 1 1 266.348 2.754 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](Cc1ccc2nccnc2c1)C1CC1 ZINC000602482881 350900585 /nfs/dbraw/zinc/90/05/85/350900585.db2.gz GZJMBCQAJAMNPC-LBPRGKRZSA-N 1 1 266.348 2.754 20 30 CFEDMO C[C@@H](CCC#N)CNc1ccc(C[NH+]2CCOCC2)cc1 ZINC000602489438 350903674 /nfs/dbraw/zinc/90/36/74/350903674.db2.gz KZNMQFZTKFWIGF-HNNXBMFYSA-N 1 1 287.407 2.871 20 30 CFEDMO CC[N@H+](C)Cc1cccc(CNCc2cccc(C#N)n2)c1 ZINC000602545960 350919459 /nfs/dbraw/zinc/91/94/59/350919459.db2.gz ULLJMIGTDBWNKN-UHFFFAOYSA-N 1 1 294.402 2.695 20 30 CFEDMO CC[N@@H+](C)Cc1cccc(CNCc2cccc(C#N)n2)c1 ZINC000602545960 350919466 /nfs/dbraw/zinc/91/94/66/350919466.db2.gz ULLJMIGTDBWNKN-UHFFFAOYSA-N 1 1 294.402 2.695 20 30 CFEDMO CCOc1cc(C[NH2+]Cc2cccc(C#N)n2)ccc1OC ZINC000602546297 350920203 /nfs/dbraw/zinc/92/02/03/350920203.db2.gz JIJMEJLZVANSMS-UHFFFAOYSA-N 1 1 297.358 2.650 20 30 CFEDMO CC[C@H]([NH2+]Cc1cccc(C#N)n1)c1c(C)noc1C ZINC000602576566 350931302 /nfs/dbraw/zinc/93/13/02/350931302.db2.gz OFPVGNBZYSTWRK-AWEZNQCLSA-N 1 1 270.336 2.799 20 30 CFEDMO COc1ncc(C[NH2+]C2(c3cccc(C#N)c3)CC2)s1 ZINC000602584055 350934472 /nfs/dbraw/zinc/93/44/72/350934472.db2.gz XOVXOGDHLNRKNC-UHFFFAOYSA-N 1 1 285.372 2.802 20 30 CFEDMO CCCN1CCC([NH2+][C@@H](C)CC2(C#N)CCOCC2)CC1 ZINC000602588316 350937197 /nfs/dbraw/zinc/93/71/97/350937197.db2.gz VISLMOISTHDIOU-HNNXBMFYSA-N 1 1 293.455 2.549 20 30 CFEDMO CCOc1ccc(C#N)cc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000602591803 350937969 /nfs/dbraw/zinc/93/79/69/350937969.db2.gz MXWBJVRTXKBLKV-OCCSQVGLSA-N 1 1 273.380 2.852 20 30 CFEDMO CC[N@H+](CCC#N)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000602438174 350882901 /nfs/dbraw/zinc/88/29/01/350882901.db2.gz OALQJFMMRNBVOL-CQSZACIVSA-N 1 1 274.364 2.927 20 30 CFEDMO CC[N@@H+](CCC#N)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000602438174 350882902 /nfs/dbraw/zinc/88/29/02/350882902.db2.gz OALQJFMMRNBVOL-CQSZACIVSA-N 1 1 274.364 2.927 20 30 CFEDMO CC[N@@H+](C[C@H](C)C#N)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602448509 350887036 /nfs/dbraw/zinc/88/70/36/350887036.db2.gz VQOSBUCBMOXEFZ-CVEARBPZSA-N 1 1 271.408 2.994 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000602447229 350887445 /nfs/dbraw/zinc/88/74/45/350887445.db2.gz LSPDBYAKDYQLLR-GJZGRUSLSA-N 1 1 257.381 2.604 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCc2ccc(O)cc2CC1 ZINC000602456158 350889359 /nfs/dbraw/zinc/88/93/59/350889359.db2.gz VGVJHBMHJLBXHE-ZDUSSCGKSA-N 1 1 258.365 2.733 20 30 CFEDMO COc1ccc2c(c1)C[N@H+](C[C@H](C)CCC#N)CC2 ZINC000602456261 350889403 /nfs/dbraw/zinc/88/94/03/350889403.db2.gz WCZCGYSJVIEMCK-CYBMUJFWSA-N 1 1 258.365 2.993 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCCN(C(C)(C)C)CC1 ZINC000602454746 350889432 /nfs/dbraw/zinc/88/94/32/350889432.db2.gz SULKKHOQMAOIDD-AWEZNQCLSA-N 1 1 251.418 2.732 20 30 CFEDMO C[C@@H](CCC#N)CN1CCC[N@@H+](C(C)(C)C)CC1 ZINC000602454746 350889434 /nfs/dbraw/zinc/88/94/34/350889434.db2.gz SULKKHOQMAOIDD-AWEZNQCLSA-N 1 1 251.418 2.732 20 30 CFEDMO C[C@@H](CCC#N)CN1CCC[N@H+](C(C)(C)C)CC1 ZINC000602454746 350889437 /nfs/dbraw/zinc/88/94/37/350889437.db2.gz SULKKHOQMAOIDD-AWEZNQCLSA-N 1 1 251.418 2.732 20 30 CFEDMO N#CCC[N@@H+](Cc1ccc2nccnc2c1)CC1CC1 ZINC000602464252 350891551 /nfs/dbraw/zinc/89/15/51/350891551.db2.gz DNNSDBLQPXMVNF-UHFFFAOYSA-N 1 1 266.348 2.755 20 30 CFEDMO N#CCC[N@H+](Cc1ccc2nccnc2c1)CC1CC1 ZINC000602464252 350891553 /nfs/dbraw/zinc/89/15/53/350891553.db2.gz DNNSDBLQPXMVNF-UHFFFAOYSA-N 1 1 266.348 2.755 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+](CCCO)Cc1ccccc1 ZINC000602463550 350891593 /nfs/dbraw/zinc/89/15/93/350891593.db2.gz HKNIMLCGHNRWCW-OAHLLOKOSA-N 1 1 260.381 2.811 20 30 CFEDMO CCN1CC[C@H]([N@H+](C)C[C@H](C)CCC#N)[C@@H](C)C1 ZINC000602473352 350896423 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CO[C@H](Cc1ccccc1)C[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981666 351083043 /nfs/dbraw/zinc/08/30/43/351083043.db2.gz HRTZFSGAGBQUPV-ZACQAIPSSA-N 1 1 272.392 2.868 20 30 CFEDMO C[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)[C@@H]1CCC[C@@H]1C#N ZINC000602981645 351083260 /nfs/dbraw/zinc/08/32/60/351083260.db2.gz HHPJRBFBVXNBMM-FVQBIDKESA-N 1 1 292.810 2.867 20 30 CFEDMO CC[C@@]1(O)CCC[N@@H+](Cc2ccc(C#N)cc2C)C1 ZINC000602983699 351085217 /nfs/dbraw/zinc/08/52/17/351085217.db2.gz QPGXRYWEVRKVIF-MRXNPFEDSA-N 1 1 258.365 2.604 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602988552 351085901 /nfs/dbraw/zinc/08/59/01/351085901.db2.gz NQRLBXQUBWOKAY-DDTOSNHZSA-N 1 1 298.308 2.722 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1F ZINC000602996996 351088322 /nfs/dbraw/zinc/08/83/22/351088322.db2.gz AFCGADLQXXSFCA-OAGGEKHMSA-N 1 1 288.366 2.823 20 30 CFEDMO C[C@H](C[N@@H+](C)[C@H](C(N)=O)c1ccc(C#N)cc1)C(C)(C)C ZINC000603056460 351096488 /nfs/dbraw/zinc/09/64/88/351096488.db2.gz SGDDNQREMZOGCF-DOMZBBRYSA-N 1 1 287.407 2.699 20 30 CFEDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(F)cc(C#N)c1 ZINC000603069121 351098467 /nfs/dbraw/zinc/09/84/67/351098467.db2.gz HVZSIMGNZJBTNR-LLVKDONJSA-N 1 1 292.358 2.548 20 30 CFEDMO COCc1cc(C#N)ccc1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000603383167 351152354 /nfs/dbraw/zinc/15/23/54/351152354.db2.gz QMVZFXLNBNVCPF-ZDUSSCGKSA-N 1 1 275.396 2.845 20 30 CFEDMO CC(C)(C)c1cc[nH+]c(NC2CCN(CC#N)CC2)c1 ZINC000603289726 351131328 /nfs/dbraw/zinc/13/13/28/351131328.db2.gz FMDWVFHKEKPVBX-UHFFFAOYSA-N 1 1 272.396 2.779 20 30 CFEDMO COCc1cc(C#N)ccc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000603298325 351133617 /nfs/dbraw/zinc/13/36/17/351133617.db2.gz SXQCDAIQUYATEQ-DOMZBBRYSA-N 1 1 273.380 2.599 20 30 CFEDMO CCOC(=O)CC[N@@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC000604526628 351216967 /nfs/dbraw/zinc/21/69/67/351216967.db2.gz VCHOCWWGTDADHV-UHFFFAOYSA-N 1 1 290.338 2.615 20 30 CFEDMO CC(C)(C)[N@H+]1CCCN(c2ccc(Cl)c(C#N)n2)CC1 ZINC000609560680 351506918 /nfs/dbraw/zinc/50/69/18/351506918.db2.gz LXOHCQJIVUCIDU-UHFFFAOYSA-N 1 1 292.814 2.917 20 30 CFEDMO CC(C)[N@H+]1CC[C@@H](CNc2ncc(C#N)cc2Cl)C1 ZINC000609560736 351506986 /nfs/dbraw/zinc/50/69/86/351506986.db2.gz IDZXYSNLGOZETC-NSHDSACASA-N 1 1 278.787 2.749 20 30 CFEDMO CCC[C@H](C#N)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000608815927 351474595 /nfs/dbraw/zinc/47/45/95/351474595.db2.gz PQTXQIURRGOEMF-IAGOWNOFSA-N 1 1 299.418 2.707 20 30 CFEDMO COC(=O)CC[N@@H+](CCCCC#N)Cc1ccccc1 ZINC000608832817 351479716 /nfs/dbraw/zinc/47/97/16/351479716.db2.gz UVJGAUINAVJGMZ-UHFFFAOYSA-N 1 1 274.364 2.746 20 30 CFEDMO CC[N@H+](Cc1ccoc1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000608840270 351479826 /nfs/dbraw/zinc/47/98/26/351479826.db2.gz KROIDJDCGMAMTH-BBRMVZONSA-N 1 1 291.395 2.544 20 30 CFEDMO CC[N@@H+](Cc1ccoc1)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000608840270 351479831 /nfs/dbraw/zinc/47/98/31/351479831.db2.gz KROIDJDCGMAMTH-BBRMVZONSA-N 1 1 291.395 2.544 20 30 CFEDMO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000609823541 351521872 /nfs/dbraw/zinc/52/18/72/351521872.db2.gz MDYMMLAWPVQUIE-MAUKXSAKSA-N 1 1 296.418 2.785 20 30 CFEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2(C#N)CCC2)C1 ZINC000609856405 351523109 /nfs/dbraw/zinc/52/31/09/351523109.db2.gz OTUPVAOPIZHSSY-GOEBONIOSA-N 1 1 297.402 2.632 20 30 CFEDMO C[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1cccc(C#N)c1 ZINC000610429766 351565779 /nfs/dbraw/zinc/56/57/79/351565779.db2.gz AWTXLQQGRPOKGR-MJBXVCDLSA-N 1 1 285.391 2.608 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)cc1 ZINC000610765513 351605305 /nfs/dbraw/zinc/60/53/05/351605305.db2.gz ALAQFXUIDOZAEZ-GOSISDBHSA-N 1 1 293.370 2.744 20 30 CFEDMO N#Cc1cccc(-c2nnc(C[N@@H+]3C[C@H]4CCC[C@H]43)o2)c1 ZINC000610762715 351605385 /nfs/dbraw/zinc/60/53/85/351605385.db2.gz OXBPFWTUVLNLTQ-ZIAGYGMSSA-N 1 1 280.331 2.593 20 30 CFEDMO N#Cc1cccc(-c2nnc(C[N@H+]3C[C@H]4CCC[C@H]43)o2)c1 ZINC000610762715 351605388 /nfs/dbraw/zinc/60/53/88/351605388.db2.gz OXBPFWTUVLNLTQ-ZIAGYGMSSA-N 1 1 280.331 2.593 20 30 CFEDMO CC[N@@H+]1CCN(c2c(Cl)cccc2C#N)C[C@@H]1C ZINC000611084817 351639388 /nfs/dbraw/zinc/63/93/88/351639388.db2.gz XEKPEAHMYRUWGT-NSHDSACASA-N 1 1 263.772 2.742 20 30 CFEDMO CC[N@H+]1CCN(c2c(Cl)cccc2C#N)C[C@@H]1C ZINC000611084817 351639390 /nfs/dbraw/zinc/63/93/90/351639390.db2.gz XEKPEAHMYRUWGT-NSHDSACASA-N 1 1 263.772 2.742 20 30 CFEDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(C#N)cc2)cn1 ZINC000611191246 351650976 /nfs/dbraw/zinc/65/09/76/351650976.db2.gz YJDDPWKJPMAUFG-UHFFFAOYSA-N 1 1 280.375 2.651 20 30 CFEDMO CC(C)C[N@H+](Cc1ccc(C#N)cc1)C[C@@H](C)CO ZINC000611235589 351654152 /nfs/dbraw/zinc/65/41/52/351654152.db2.gz SLKARJLKOWHURG-CQSZACIVSA-N 1 1 260.381 2.645 20 30 CFEDMO COc1cc(C#N)ccc1C[NH2+][C@](C)(CO)c1ccccc1 ZINC000611235768 351654331 /nfs/dbraw/zinc/65/43/31/351654331.db2.gz YWQIRNVUQXAYOZ-GOSISDBHSA-N 1 1 296.370 2.564 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCC[C@@H]2c2ccncc2)ccn1 ZINC000611244758 351655994 /nfs/dbraw/zinc/65/59/94/351655994.db2.gz FRMHNBIKAJEXKE-MRXNPFEDSA-N 1 1 264.332 2.685 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)ccn1 ZINC000611244758 351655996 /nfs/dbraw/zinc/65/59/96/351655996.db2.gz FRMHNBIKAJEXKE-MRXNPFEDSA-N 1 1 264.332 2.685 20 30 CFEDMO COc1ccc(C[N@H+](C)Cc2ccc(C#N)o2)cc1OC ZINC000611252197 351657710 /nfs/dbraw/zinc/65/77/10/351657710.db2.gz HVIWJPUWTTWSSX-UHFFFAOYSA-N 1 1 286.331 2.800 20 30 CFEDMO COc1ccc(C[N@@H+](C)Cc2ccc(C#N)o2)cc1OC ZINC000611252197 351657714 /nfs/dbraw/zinc/65/77/14/351657714.db2.gz HVIWJPUWTTWSSX-UHFFFAOYSA-N 1 1 286.331 2.800 20 30 CFEDMO Cc1ccc(C[N@@H+](C)CCOc2ccccc2C#N)nc1 ZINC000610953657 351624414 /nfs/dbraw/zinc/62/44/14/351624414.db2.gz CCVMMCSTVPIWTP-UHFFFAOYSA-N 1 1 281.359 2.773 20 30 CFEDMO COCC[N@@H+](Cc1ccc(OC)c(C#N)c1)C1CCCC1 ZINC000610991232 351629066 /nfs/dbraw/zinc/62/90/66/351629066.db2.gz AVYBMVPSKLOTGW-UHFFFAOYSA-N 1 1 288.391 2.958 20 30 CFEDMO C[N@H+](Cc1ccc(F)c(F)c1)Cc1ccnc(C#N)c1 ZINC000610991634 351630096 /nfs/dbraw/zinc/63/00/96/351630096.db2.gz APVCQPPEVUEADO-UHFFFAOYSA-N 1 1 273.286 2.863 20 30 CFEDMO C[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccnc(C#N)c1 ZINC000610991634 351630098 /nfs/dbraw/zinc/63/00/98/351630098.db2.gz APVCQPPEVUEADO-UHFFFAOYSA-N 1 1 273.286 2.863 20 30 CFEDMO COCC[N@@H+](CCc1ccccc1)Cc1ccnc(C#N)c1 ZINC000610991943 351630270 /nfs/dbraw/zinc/63/02/70/351630270.db2.gz XAXAATHQSQEGDV-UHFFFAOYSA-N 1 1 295.386 2.644 20 30 CFEDMO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccnc(C#N)c2)c1 ZINC000611376679 351677879 /nfs/dbraw/zinc/67/78/79/351677879.db2.gz DAAZTXOTZSRGLL-GFCCVEGCSA-N 1 1 297.358 2.821 20 30 CFEDMO C[C@@H](N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000611438495 351690212 /nfs/dbraw/zinc/69/02/12/351690212.db2.gz WUSWXAVROXSIHT-DYVFJYSZSA-N 1 1 269.392 2.693 20 30 CFEDMO C[C@@H](N[C@H]1CC[N@@H+](CC2CC2)C1)c1cccc(C#N)c1 ZINC000611438495 351690214 /nfs/dbraw/zinc/69/02/14/351690214.db2.gz WUSWXAVROXSIHT-DYVFJYSZSA-N 1 1 269.392 2.693 20 30 CFEDMO CC[N@H+](Cc1cccc(C#N)c1F)C[C@@H]1CCOC1 ZINC000611371137 351676050 /nfs/dbraw/zinc/67/60/50/351676050.db2.gz YBQHTOBRAGIPBX-LBPRGKRZSA-N 1 1 262.328 2.556 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000611579213 351710716 /nfs/dbraw/zinc/71/07/16/351710716.db2.gz SWMMBPGJRYAYGR-CYBMUJFWSA-N 1 1 266.291 2.762 20 30 CFEDMO N#CCCC[N@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000611576196 351711250 /nfs/dbraw/zinc/71/12/50/351711250.db2.gz OHJFZGDASVJGOG-CYBMUJFWSA-N 1 1 286.297 2.716 20 30 CFEDMO N#CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000611576196 351711253 /nfs/dbraw/zinc/71/12/53/351711253.db2.gz OHJFZGDASVJGOG-CYBMUJFWSA-N 1 1 286.297 2.716 20 30 CFEDMO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578507 351711404 /nfs/dbraw/zinc/71/14/04/351711404.db2.gz PQTTXCKYPMMCOP-ZDUSSCGKSA-N 1 1 296.317 2.770 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578507 351711407 /nfs/dbraw/zinc/71/14/07/351711407.db2.gz PQTTXCKYPMMCOP-ZDUSSCGKSA-N 1 1 296.317 2.770 20 30 CFEDMO N#Cc1ccccc1OCC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000611579575 351711575 /nfs/dbraw/zinc/71/15/75/351711575.db2.gz LMIYFKWBMXUQHW-CYBMUJFWSA-N 1 1 296.317 2.641 20 30 CFEDMO Cn1ncc2c1CCC[C@@H]2[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000612104407 351775374 /nfs/dbraw/zinc/77/53/74/351775374.db2.gz QRINNMKMODACBJ-KRWDZBQOSA-N 1 1 294.402 2.996 20 30 CFEDMO C[C@@]1(C#N)CCC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000612161898 351781379 /nfs/dbraw/zinc/78/13/79/351781379.db2.gz WQXJWHQHARGDOX-INIZCTEOSA-N 1 1 289.354 2.780 20 30 CFEDMO C[C@@]1(C#N)CCC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000612161898 351781383 /nfs/dbraw/zinc/78/13/83/351781383.db2.gz WQXJWHQHARGDOX-INIZCTEOSA-N 1 1 289.354 2.780 20 30 CFEDMO Cc1cccc(OCC[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612161916 351781389 /nfs/dbraw/zinc/78/13/89/351781389.db2.gz GYENVHGBHLQKSG-MRXNPFEDSA-N 1 1 258.365 3.000 20 30 CFEDMO Cc1cccc(OCC[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612161916 351781392 /nfs/dbraw/zinc/78/13/92/351781392.db2.gz GYENVHGBHLQKSG-MRXNPFEDSA-N 1 1 258.365 3.000 20 30 CFEDMO COCc1cccc(C[N@@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612165280 351783107 /nfs/dbraw/zinc/78/31/07/351783107.db2.gz LVCLNAWWBDMBTJ-MRXNPFEDSA-N 1 1 258.365 2.959 20 30 CFEDMO COCc1cccc(C[N@H+]2CCC[C@](C)(C#N)C2)c1 ZINC000612165280 351783110 /nfs/dbraw/zinc/78/31/10/351783110.db2.gz LVCLNAWWBDMBTJ-MRXNPFEDSA-N 1 1 258.365 2.959 20 30 CFEDMO COc1ccc(CC[N@@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612164630 351783576 /nfs/dbraw/zinc/78/35/76/351783576.db2.gz FCNJMTWGEQOODB-INIZCTEOSA-N 1 1 258.365 2.863 20 30 CFEDMO COc1ccc(CC[N@H+]2CCC[C@@](C)(C#N)C2)cc1 ZINC000612164630 351783579 /nfs/dbraw/zinc/78/35/79/351783579.db2.gz FCNJMTWGEQOODB-INIZCTEOSA-N 1 1 258.365 2.863 20 30 CFEDMO N#CC1(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000612174738 351785225 /nfs/dbraw/zinc/78/52/25/351785225.db2.gz OZCFZQNVEMODEC-AWEZNQCLSA-N 1 1 260.312 2.583 20 30 CFEDMO N#CC1(C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)CC1 ZINC000612174738 351785230 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374264463 /nfs/dbraw/zinc/26/44/63/374264463.db2.gz FAXKUCPAWKUMFP-UHFFFAOYSA-N 1 1 250.317 2.662 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(F)cc1 ZINC000072553320 374264469 /nfs/dbraw/zinc/26/44/69/374264469.db2.gz FAXKUCPAWKUMFP-UHFFFAOYSA-N 1 1 250.317 2.662 20 30 CFEDMO C=C(C)C[N@@H+](CC)CC(=O)Nc1ccc(F)cc1F ZINC000072553311 374264965 /nfs/dbraw/zinc/26/49/65/374264965.db2.gz LQTZITWBUWHHLY-UHFFFAOYSA-N 1 1 268.307 2.801 20 30 CFEDMO C=C(C)C[N@H+](CC)CC(=O)Nc1ccc(F)cc1F ZINC000072553311 374264971 /nfs/dbraw/zinc/26/49/71/374264971.db2.gz LQTZITWBUWHHLY-UHFFFAOYSA-N 1 1 268.307 2.801 20 30 CFEDMO CC(C)CC[N@H+](CCC#N)C[C@H](O)COc1ccccc1 ZINC000072692466 374277882 /nfs/dbraw/zinc/27/78/82/374277882.db2.gz OLHYBDXIFSABLQ-INIZCTEOSA-N 1 1 290.407 2.688 20 30 CFEDMO CC(C)CC[N@@H+](CCC#N)C[C@H](O)COc1ccccc1 ZINC000072692466 374277886 /nfs/dbraw/zinc/27/78/86/374277886.db2.gz OLHYBDXIFSABLQ-INIZCTEOSA-N 1 1 290.407 2.688 20 30 CFEDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccccc2C#N)C1 ZINC000072976340 374310252 /nfs/dbraw/zinc/31/02/52/374310252.db2.gz DZFHDEOKVXMPHI-CQSZACIVSA-N 1 1 258.365 2.807 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2cccc(C#N)c2F)CCCO1 ZINC000334143954 206068036 /nfs/dbraw/zinc/06/80/36/206068036.db2.gz GKWBNIGZQNZRSI-CQSZACIVSA-N 1 1 262.328 2.698 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2cccc(C#N)c2F)CCCO1 ZINC000334143954 206068039 /nfs/dbraw/zinc/06/80/39/206068039.db2.gz GKWBNIGZQNZRSI-CQSZACIVSA-N 1 1 262.328 2.698 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+]1CCC[C@H](Cc2ccc(OC)cc2)C1 ZINC000678050061 541942200 /nfs/dbraw/zinc/94/22/00/541942200.db2.gz UUJLSTHTLKCCDT-SJLPKXTDSA-N 1 1 289.419 2.887 20 30 CFEDMO CN(C)c1cc(NC(=O)/C=C\c2cccc(C#N)c2)cc[nH+]1 ZINC000492083957 246178780 /nfs/dbraw/zinc/17/87/80/246178780.db2.gz LXKXSRFYJYSXPL-SREVYHEPSA-N 1 1 292.342 2.671 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000574512841 335025091 /nfs/dbraw/zinc/02/50/91/335025091.db2.gz NAVOGHQXTLTJBR-HNNXBMFYSA-N 1 1 291.439 2.793 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(C(=O)/C=C\c2ccc(C#N)cc2)C[C@H]1C ZINC000492263917 246237082 /nfs/dbraw/zinc/23/70/82/246237082.db2.gz UPDNDKXKLAVNJJ-TWEVIJGYSA-N 1 1 297.402 2.513 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000678121767 541956880 /nfs/dbraw/zinc/95/68/80/541956880.db2.gz GRHVCDZMTLOYMN-UHFFFAOYSA-N 1 1 272.392 2.977 20 30 CFEDMO CC[N@H+]1C[C@H](C)N(C(=O)/C=C\c2cccc(C#N)c2)C[C@@H]1C ZINC000492293585 246247711 /nfs/dbraw/zinc/24/77/11/246247711.db2.gz FYLCRZKEFOCTOX-ZNQSWUDVSA-N 1 1 297.402 2.513 20 30 CFEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)NCCc1ccc(F)cc1 ZINC000076734095 374556425 /nfs/dbraw/zinc/55/64/25/374556425.db2.gz SSFJFTIKRHYPHF-CQSZACIVSA-N 1 1 292.398 2.771 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000076736150 374556614 /nfs/dbraw/zinc/55/66/14/374556614.db2.gz GUPDUCSBJWKKBT-UHFFFAOYSA-N 1 1 264.344 2.971 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC ZINC000076733984 374556973 /nfs/dbraw/zinc/55/69/73/374556973.db2.gz WRBNNGFLDYUILU-AWEZNQCLSA-N 1 1 252.402 2.676 20 30 CFEDMO C=CCCC[N@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC000076738284 374557444 /nfs/dbraw/zinc/55/74/44/374557444.db2.gz JJFFSYVYGJEDOW-UHFFFAOYSA-N 1 1 256.349 2.926 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CCCC#N ZINC000077371535 374561504 /nfs/dbraw/zinc/56/15/04/374561504.db2.gz JUZFOVOZUJDODO-MRXNPFEDSA-N 1 1 271.408 2.887 20 30 CFEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCCC#N ZINC000077371535 374561507 /nfs/dbraw/zinc/56/15/07/374561507.db2.gz JUZFOVOZUJDODO-MRXNPFEDSA-N 1 1 271.408 2.887 20 30 CFEDMO C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CCCC#N ZINC000077371535 374561510 /nfs/dbraw/zinc/56/15/10/374561510.db2.gz JUZFOVOZUJDODO-MRXNPFEDSA-N 1 1 271.408 2.887 20 30 CFEDMO C[N@H+](CCOCC1CC1)Cc1cc(C#N)ccc1F ZINC000088077764 374833838 /nfs/dbraw/zinc/83/38/38/374833838.db2.gz MJUUPDZUBUJVOF-UHFFFAOYSA-N 1 1 262.328 2.556 20 30 CFEDMO C[N@@H+](CCOCC1CC1)Cc1cc(C#N)ccc1F ZINC000088077764 374833842 /nfs/dbraw/zinc/83/38/42/374833842.db2.gz MJUUPDZUBUJVOF-UHFFFAOYSA-N 1 1 262.328 2.556 20 30 CFEDMO C=CCOc1cccc(CN2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000678260964 541988075 /nfs/dbraw/zinc/98/80/75/541988075.db2.gz HJYMFBBMAFRLFL-OAHLLOKOSA-N 1 1 274.408 2.777 20 30 CFEDMO C=CCOc1ccc(CN2CC[N@H+](CC)[C@@H](C)C2)cc1 ZINC000678258857 541987481 /nfs/dbraw/zinc/98/74/81/541987481.db2.gz PVUOXLYLOGSSBQ-HNNXBMFYSA-N 1 1 274.408 2.777 20 30 CFEDMO C[N@H+](Cc1cccc(C#N)c1)C[C@@H]1Cc2ccccc2O1 ZINC000090874878 375033628 /nfs/dbraw/zinc/03/36/28/375033628.db2.gz AABXKPIDBOXBRD-KRWDZBQOSA-N 1 1 278.355 2.994 20 30 CFEDMO CC[N@@H+](Cc1ccc(NC(C)=O)cc1)C[C@@H](C)C#N ZINC000091983063 375076035 /nfs/dbraw/zinc/07/60/35/375076035.db2.gz SZQNJKYQADPTCS-LBPRGKRZSA-N 1 1 259.353 2.627 20 30 CFEDMO CC[N@H+](Cc1ccc(NC(C)=O)cc1)C[C@@H](C)C#N ZINC000091983063 375076040 /nfs/dbraw/zinc/07/60/40/375076040.db2.gz SZQNJKYQADPTCS-LBPRGKRZSA-N 1 1 259.353 2.627 20 30 CFEDMO CC[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@@H](C)C#N ZINC000091982419 375076322 /nfs/dbraw/zinc/07/63/22/375076322.db2.gz LTUBHNRXFRXKJT-AWEZNQCLSA-N 1 1 268.364 2.854 20 30 CFEDMO CC[N@H+](Cc1cccc(-n2cccn2)c1)C[C@@H](C)C#N ZINC000091982419 375076327 /nfs/dbraw/zinc/07/63/27/375076327.db2.gz LTUBHNRXFRXKJT-AWEZNQCLSA-N 1 1 268.364 2.854 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC000092017089 375081738 /nfs/dbraw/zinc/08/17/38/375081738.db2.gz YAOCINSMJQVBGC-ZIAGYGMSSA-N 1 1 261.365 2.861 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC000092017089 375081746 /nfs/dbraw/zinc/08/17/46/375081746.db2.gz YAOCINSMJQVBGC-ZIAGYGMSSA-N 1 1 261.365 2.861 20 30 CFEDMO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cccc(OCCCC#N)c1 ZINC000092017572 375082981 /nfs/dbraw/zinc/08/29/81/375082981.db2.gz QNTCNSLFZWYXHL-CABCVRRESA-N 1 1 288.391 2.978 20 30 CFEDMO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(OCCCC#N)c1 ZINC000092017572 375082989 /nfs/dbraw/zinc/08/29/89/375082989.db2.gz QNTCNSLFZWYXHL-CABCVRRESA-N 1 1 288.391 2.978 20 30 CFEDMO CC[N@H+](Cc1cc(C#N)cs1)C[C@@H]1CCCO1 ZINC000092407791 375110113 /nfs/dbraw/zinc/11/01/13/375110113.db2.gz SONFYQLSXPZANT-LBPRGKRZSA-N 1 1 250.367 2.621 20 30 CFEDMO C[C@@H](C#N)C[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000264189737 383706091 /nfs/dbraw/zinc/70/60/91/383706091.db2.gz FECCNJFXCGLBFY-NSHDSACASA-N 1 1 279.771 2.760 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000264189737 383706096 /nfs/dbraw/zinc/70/60/96/383706096.db2.gz FECCNJFXCGLBFY-NSHDSACASA-N 1 1 279.771 2.760 20 30 CFEDMO CC(C)C[N@@H+](CCC(=O)N(C)CCC#N)CC(C)(C)C ZINC000092801481 375156186 /nfs/dbraw/zinc/15/61/86/375156186.db2.gz ZHDOHGGQRBQUNZ-UHFFFAOYSA-N 1 1 281.444 2.753 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000092967959 375170208 /nfs/dbraw/zinc/17/02/08/375170208.db2.gz JOWFTSSHMAHMRI-QGZVFWFLSA-N 1 1 295.386 2.732 20 30 CFEDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(C)(C)CCC#N ZINC000092510972 375117482 /nfs/dbraw/zinc/11/74/82/375117482.db2.gz AIHIKMXAHPODKX-CQSZACIVSA-N 1 1 279.428 2.649 20 30 CFEDMO C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C#N)o1 ZINC000093324690 375213226 /nfs/dbraw/zinc/21/32/26/375213226.db2.gz SCVUFLHTWXIXQS-LBPRGKRZSA-N 1 1 270.332 2.920 20 30 CFEDMO N#Cc1ccc2ncc(C[N@H+]3CCC4(CCCC4)C3)n2c1 ZINC000093336596 375215966 /nfs/dbraw/zinc/21/59/66/375215966.db2.gz YSXLDULMROXTIK-UHFFFAOYSA-N 1 1 280.375 2.972 20 30 CFEDMO C=CCOc1ccc(C[N@H+](CCCCO)C2CC2)cc1 ZINC000093382992 375224590 /nfs/dbraw/zinc/22/45/90/375224590.db2.gz VFMOZZFDLVZLMA-UHFFFAOYSA-N 1 1 275.392 2.988 20 30 CFEDMO C#CCCOc1ccc(C[N@H+]2CCO[C@@H](C)[C@H]2C)cc1 ZINC000093418303 375232420 /nfs/dbraw/zinc/23/24/20/375232420.db2.gz JUDNSZQVWIATGV-CABCVRRESA-N 1 1 273.376 2.698 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCO[C@@H](C)[C@H]2C)cc1 ZINC000093418303 375232427 /nfs/dbraw/zinc/23/24/27/375232427.db2.gz JUDNSZQVWIATGV-CABCVRRESA-N 1 1 273.376 2.698 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000093645430 375284960 /nfs/dbraw/zinc/28/49/60/375284960.db2.gz NUNABGWAFPBTKJ-SUMWQHHRSA-N 1 1 286.375 2.588 20 30 CFEDMO C[C@@H](C#N)Oc1ccc(C[N@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000093645430 375284965 /nfs/dbraw/zinc/28/49/65/375284965.db2.gz NUNABGWAFPBTKJ-SUMWQHHRSA-N 1 1 286.375 2.588 20 30 CFEDMO C[N@@H+](CCc1cccs1)Cc1cnc2ccc(C#N)cn12 ZINC000093685418 375295313 /nfs/dbraw/zinc/29/53/13/375295313.db2.gz GWBCRNSYKKKLGX-UHFFFAOYSA-N 1 1 296.399 2.942 20 30 CFEDMO CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000093753037 375305347 /nfs/dbraw/zinc/30/53/47/375305347.db2.gz NPUVQSLDDAEHJH-CYBMUJFWSA-N 1 1 277.437 2.783 20 30 CFEDMO C[N@H+](Cc1cccc(OCCCC#N)c1)C[C@@H]1CCOC1 ZINC000093839871 375318727 /nfs/dbraw/zinc/31/87/27/375318727.db2.gz XJSMIPYSSQLIMW-INIZCTEOSA-N 1 1 288.391 2.837 20 30 CFEDMO C#CCOc1ccc(C[N@@H+](C)CCc2nccs2)cc1 ZINC000093843962 375321288 /nfs/dbraw/zinc/32/12/88/375321288.db2.gz XDNOXUVGIGMZDU-UHFFFAOYSA-N 1 1 286.400 2.830 20 30 CFEDMO C=CCCC[N@H+](C)Cc1cn(C)nc1-c1ccncc1 ZINC000093533661 375264083 /nfs/dbraw/zinc/26/40/83/375264083.db2.gz LQVJDVDWGGPWEZ-UHFFFAOYSA-N 1 1 270.380 2.880 20 30 CFEDMO C[N@@H+](CCCOc1cccc(C#N)c1)CCOCC1CC1 ZINC000094989223 375402428 /nfs/dbraw/zinc/40/24/28/375402428.db2.gz PZTBIZUDXZBSDP-UHFFFAOYSA-N 1 1 288.391 2.686 20 30 CFEDMO CCCCC(N)=[NH+]OCc1cccc(NC(C)=O)c1 ZINC000101540793 375639174 /nfs/dbraw/zinc/63/91/74/375639174.db2.gz HICHXSFNUKJNKV-UHFFFAOYSA-N 1 1 263.341 2.624 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CCC1CCCCC1 ZINC000101565658 375640761 /nfs/dbraw/zinc/64/07/61/375640761.db2.gz JTWQZFJKCSABTG-OAHLLOKOSA-N 1 1 293.455 2.897 20 30 CFEDMO N#CCCCC[NH+]1CCN(C(=O)CCC2CCCC2)CC1 ZINC000102396970 375672946 /nfs/dbraw/zinc/67/29/46/375672946.db2.gz FPVOMEUUMCNHQQ-UHFFFAOYSA-N 1 1 291.439 2.795 20 30 CFEDMO CC(C)[C@H](C)[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000507252936 247171484 /nfs/dbraw/zinc/17/14/84/247171484.db2.gz OUEYIBFGIXENGZ-LBPRGKRZSA-N 1 1 256.353 2.682 20 30 CFEDMO C=C(Br)CN1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105918307 375794092 /nfs/dbraw/zinc/79/40/92/375794092.db2.gz LCTGIEHOUTWGKP-UHFFFAOYSA-N 1 1 298.228 2.583 20 30 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C=C(CC)C[NH+]1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC000358494767 380881972 /nfs/dbraw/zinc/88/19/72/380881972.db2.gz TXGMFZZLKJRYPC-UHFFFAOYSA-N 1 1 276.380 2.620 20 30 CFEDMO C=C(CC)C[N@@H+]1CCC[C@H](C(=O)NCCCC)C1 ZINC000358503856 380890795 /nfs/dbraw/zinc/89/07/95/380890795.db2.gz DYVMYBPKDYHWJH-AWEZNQCLSA-N 1 1 252.402 2.581 20 30 CFEDMO C=C(CC)C[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 ZINC000358511492 380895709 /nfs/dbraw/zinc/89/57/09/380895709.db2.gz RSYYLMMJYHEHIB-GJZGRUSLSA-N 1 1 266.429 2.969 20 30 CFEDMO C=C(CC)C[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000358511468 380896584 /nfs/dbraw/zinc/89/65/84/380896584.db2.gz RRMZIJYTLFVEGD-UHFFFAOYSA-N 1 1 290.382 2.940 20 30 CFEDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404166311 380901781 /nfs/dbraw/zinc/90/17/81/380901781.db2.gz STRKGNTVRHEKMG-DOMZBBRYSA-N 1 1 276.355 2.823 20 30 CFEDMO C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(C#N)cc1F ZINC000358566830 380931159 /nfs/dbraw/zinc/93/11/59/380931159.db2.gz 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SBIUMTRAMOYEOW-CYBMUJFWSA-N 1 1 268.364 2.968 20 30 CFEDMO C=CCN(CC[C@H]1CC[NH2+]C1)Cc1ccccc1F ZINC000420303501 382353362 /nfs/dbraw/zinc/35/33/62/382353362.db2.gz KLVNAQTWFHZQBA-CQSZACIVSA-N 1 1 262.372 2.813 20 30 CFEDMO N#CC1(F)CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000352483338 382357389 /nfs/dbraw/zinc/35/73/89/382357389.db2.gz ITHZHRJXPTUJCE-UHFFFAOYSA-N 1 1 268.282 2.835 20 30 CFEDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(C#N)c(OC)c2)C1 ZINC000377853111 382359666 /nfs/dbraw/zinc/35/96/66/382359666.db2.gz XEBFGIVLEDFRKP-QGZVFWFLSA-N 1 1 288.391 2.551 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)C[C@@H](C)c1ccccc1C ZINC000293971119 382360583 /nfs/dbraw/zinc/36/05/83/382360583.db2.gz MAADLSFUHXIHKT-MRXNPFEDSA-N 1 1 286.419 2.560 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1F ZINC000365265809 382368707 /nfs/dbraw/zinc/36/87/07/382368707.db2.gz JFIXICPOMSRWPQ-OAHLLOKOSA-N 1 1 296.349 2.867 20 30 CFEDMO C=CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000365360035 382381015 /nfs/dbraw/zinc/38/10/15/382381015.db2.gz UZNHQEYHUUCXKW-MRXNPFEDSA-N 1 1 264.413 2.677 20 30 CFEDMO C#CC[N@H+](CCCCCO)[C@@H]1CCc2ccccc21 ZINC000304293486 382388783 /nfs/dbraw/zinc/38/87/83/382388783.db2.gz DNYOGRKVSCAYCA-QGZVFWFLSA-N 1 1 257.377 2.772 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCNc1cc(C#N)c2ccccc2n1 ZINC000346398799 382348460 /nfs/dbraw/zinc/34/84/60/382348460.db2.gz IPCPESHBRBZOKW-AWEZNQCLSA-N 1 1 294.402 2.815 20 30 CFEDMO C=CCC[C@@H]([NH2+]Cc1nnc(C)[nH]1)c1ccccc1 ZINC000358040845 382423137 /nfs/dbraw/zinc/42/31/37/382423137.db2.gz BXYVRZZNZSWHNN-CQSZACIVSA-N 1 1 256.353 2.910 20 30 CFEDMO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+]1CC[C@H](C2CC2)C1 ZINC000378317985 382433535 /nfs/dbraw/zinc/43/35/35/382433535.db2.gz MERQSRPLKNPSJA-DOMZBBRYSA-N 1 1 283.375 2.617 20 30 CFEDMO CCOCCOCC[N@H+](C)CC#Cc1ccccc1Cl ZINC000346612171 382436591 /nfs/dbraw/zinc/43/65/91/382436591.db2.gz FZSXARGSHNMYGT-UHFFFAOYSA-N 1 1 295.810 2.676 20 30 CFEDMO CCOCCOCC[N@@H+](C)CC#Cc1ccccc1Cl ZINC000346612171 382436598 /nfs/dbraw/zinc/43/65/98/382436598.db2.gz FZSXARGSHNMYGT-UHFFFAOYSA-N 1 1 295.810 2.676 20 30 CFEDMO N#Cc1ccc2ncc(C[N@H+]3C[C@@H]4CCCCC[C@H]43)n2c1 ZINC000378344746 382440255 /nfs/dbraw/zinc/44/02/55/382440255.db2.gz CFWDWBQOMSDBPM-GOEBONIOSA-N 1 1 280.375 2.970 20 30 CFEDMO C=C(CC)C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000346555187 382411742 /nfs/dbraw/zinc/41/17/42/382411742.db2.gz HAFQJDZFJCMQCX-JKSUJKDBSA-N 1 1 268.445 2.679 20 30 CFEDMO C=C(CC)C[NH2+][C@@H]1CCN(CCCOCC)C[C@@H]1C ZINC000346555187 382411744 /nfs/dbraw/zinc/41/17/44/382411744.db2.gz HAFQJDZFJCMQCX-JKSUJKDBSA-N 1 1 268.445 2.679 20 30 CFEDMO N#Cc1c(F)ccc(C[NH+]2CC([C@@H]3CCOC3)C2)c1Cl ZINC000365564566 382414680 /nfs/dbraw/zinc/41/46/80/382414680.db2.gz WPKCBAHBVMITIZ-LLVKDONJSA-N 1 1 294.757 2.819 20 30 CFEDMO C[C@H](C#N)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000346685009 382470884 /nfs/dbraw/zinc/47/08/84/382470884.db2.gz HYLJSDLQHUIFGF-VYDXJSESSA-N 1 1 299.418 2.658 20 30 CFEDMO C=C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358089995 382448965 /nfs/dbraw/zinc/44/89/65/382448965.db2.gz GUHONGJGJUACAQ-BFHYXJOUSA-N 1 1 279.428 2.513 20 30 CFEDMO C#Cc1cccc(N(CC)C(=O)[C@@H]2CCCc3[nH+]ccn32)c1 ZINC000365860984 382453778 /nfs/dbraw/zinc/45/37/78/382453778.db2.gz LLEDAAPYUSLIGN-INIZCTEOSA-N 1 1 293.370 2.795 20 30 CFEDMO C#Cc1cccc(N(CC)C(=O)[C@H]2CCCc3[nH+]ccn32)c1 ZINC000365860985 382453790 /nfs/dbraw/zinc/45/37/90/382453790.db2.gz LLEDAAPYUSLIGN-MRXNPFEDSA-N 1 1 293.370 2.795 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000365853984 382454352 /nfs/dbraw/zinc/45/43/52/382454352.db2.gz PEPJFZKGZXBNNL-UHOFOFEASA-N 1 1 256.349 2.730 20 30 CFEDMO N#Cc1ccc2nc(N3CCC[N@H+]4CCC[C@H]4C3)ccc2c1 ZINC000378416309 382457859 /nfs/dbraw/zinc/45/78/59/382457859.db2.gz RHGRPTDGURJWTA-INIZCTEOSA-N 1 1 292.386 2.781 20 30 CFEDMO C=CCOCCC[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000352884120 382479262 /nfs/dbraw/zinc/47/92/62/382479262.db2.gz KZQNGLXIBYVBKS-LSDHHAIUSA-N 1 1 255.402 2.595 20 30 CFEDMO C=CCCCCC[N@@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000352902062 382481171 /nfs/dbraw/zinc/48/11/71/382481171.db2.gz ZHPAWJGOCQGHJD-VBQJREDUSA-N 1 1 257.443 2.964 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)Cc1cnn(CC)c1 ZINC000352932128 382484648 /nfs/dbraw/zinc/48/46/48/382484648.db2.gz PBLFQDVSMRAKSA-UHFFFAOYSA-N 1 1 259.353 2.727 20 30 CFEDMO CC1CC(C#N)(C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000309577528 382488578 /nfs/dbraw/zinc/48/85/78/382488578.db2.gz XRCITOIKWHDFGM-UHFFFAOYSA-N 1 1 299.418 2.565 20 30 CFEDMO C=CCNC(=O)C[N@H+](CC)[C@H](CC)c1ccccc1 ZINC000346718007 382488562 /nfs/dbraw/zinc/48/85/62/382488562.db2.gz ULSPXIQAZZCKDA-OAHLLOKOSA-N 1 1 260.381 2.762 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000353028991 382488977 /nfs/dbraw/zinc/48/89/77/382488977.db2.gz UIEAPLXTPWAKAH-WBVHZDCISA-N 1 1 278.440 2.779 20 30 CFEDMO FC(F)OC[C@H]1CC[N@@H+](CC#Cc2ccccc2)C1 ZINC000353033671 382490303 /nfs/dbraw/zinc/49/03/03/382490303.db2.gz ZRANYZIQBICSTN-AWEZNQCLSA-N 1 1 265.303 2.599 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+](C)CCc1noc(C)n1 ZINC000353066596 382490452 /nfs/dbraw/zinc/49/04/52/382490452.db2.gz WPSDUVQEFADJMY-UHFFFAOYSA-N 1 1 287.363 2.617 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)[C@H]1C ZINC000420929624 382498404 /nfs/dbraw/zinc/49/84/04/382498404.db2.gz RBBGEBYJAQSSRF-RBSFLKMASA-N 1 1 297.439 2.756 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+](CCC)CCN1CCCCC1 ZINC000353150340 382499018 /nfs/dbraw/zinc/49/90/18/382499018.db2.gz BTZDUVBMAVXREA-MRXNPFEDSA-N 1 1 268.445 2.511 20 30 CFEDMO C=CCC[C@@H](O)CN(CCC)CC[NH+]1CCCCC1 ZINC000353150340 382499028 /nfs/dbraw/zinc/49/90/28/382499028.db2.gz BTZDUVBMAVXREA-MRXNPFEDSA-N 1 1 268.445 2.511 20 30 CFEDMO CN(Cc1ccc(CC#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353151654 382500200 /nfs/dbraw/zinc/50/02/00/382500200.db2.gz GLCWBFPJIZLHLS-JWTNVVGKSA-N 1 1 283.419 2.810 20 30 CFEDMO CN(Cc1ccc(CC#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353151654 382500205 /nfs/dbraw/zinc/50/02/05/382500205.db2.gz GLCWBFPJIZLHLS-JWTNVVGKSA-N 1 1 283.419 2.810 20 30 CFEDMO CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccc(CC#N)cc1)C2 ZINC000353151654 382500207 /nfs/dbraw/zinc/50/02/07/382500207.db2.gz GLCWBFPJIZLHLS-JWTNVVGKSA-N 1 1 283.419 2.810 20 30 CFEDMO CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccc(CC#N)cc1)C2 ZINC000353151654 382500209 /nfs/dbraw/zinc/50/02/09/382500209.db2.gz GLCWBFPJIZLHLS-JWTNVVGKSA-N 1 1 283.419 2.810 20 30 CFEDMO C[C@@H]1C[C@@H](CO)C[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000420936835 382500435 /nfs/dbraw/zinc/50/04/35/382500435.db2.gz IYYZGWHIFDAWES-UKRRQHHQSA-N 1 1 277.795 2.642 20 30 CFEDMO N#CCCOCC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000420949680 382500907 /nfs/dbraw/zinc/50/09/07/382500907.db2.gz OYRBCNHOQDTGNT-NSHDSACASA-N 1 1 264.291 2.581 20 30 CFEDMO C[C@H]1C[C@@H](CO)C[N@@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000420936832 382501270 /nfs/dbraw/zinc/50/12/70/382501270.db2.gz IYYZGWHIFDAWES-DZGCQCFKSA-N 1 1 277.795 2.642 20 30 CFEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000420962842 382502389 /nfs/dbraw/zinc/50/23/89/382502389.db2.gz LRPZHDBZUWWIFZ-HOCLYGCPSA-N 1 1 291.439 2.507 20 30 CFEDMO C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCCCC#N)C1 ZINC000421017328 382504916 /nfs/dbraw/zinc/50/49/16/382504916.db2.gz LVMFIAJMKCIZQL-KBPBESRZSA-N 1 1 280.412 2.980 20 30 CFEDMO C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCCCC#N)C1 ZINC000421017331 382505279 /nfs/dbraw/zinc/50/52/79/382505279.db2.gz LVMFIAJMKCIZQL-ZIAGYGMSSA-N 1 1 280.412 2.980 20 30 CFEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000421019493 382507905 /nfs/dbraw/zinc/50/79/05/382507905.db2.gz MJAQJEAIHRVDIU-HNNXBMFYSA-N 1 1 272.392 2.557 20 30 CFEDMO Clc1cccc(C#CC[N@@H+]2CC[C@]23CCOC3)c1 ZINC000421019607 382508220 /nfs/dbraw/zinc/50/82/20/382508220.db2.gz MOUSDSYOZNRNTL-OAHLLOKOSA-N 1 1 261.752 2.556 20 30 CFEDMO Clc1cccc(C#CC[N@H+]2CC[C@]23CCOC3)c1 ZINC000421019607 382508228 /nfs/dbraw/zinc/50/82/28/382508228.db2.gz MOUSDSYOZNRNTL-OAHLLOKOSA-N 1 1 261.752 2.556 20 30 CFEDMO CC(C)[N@@H+](C)C[C@H](C)Nc1cccc(C#N)c1[N+](=O)[O-] ZINC000380530662 382515030 /nfs/dbraw/zinc/51/50/30/382515030.db2.gz KSUHRPLLOINURY-NSHDSACASA-N 1 1 276.340 2.607 20 30 CFEDMO COC[C@@]1(C)CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000381377639 382519767 /nfs/dbraw/zinc/51/97/67/382519767.db2.gz OLFHWJREKLNXGU-HNNXBMFYSA-N 1 1 262.328 2.556 20 30 CFEDMO CC1=CC[N@@H+](CCNc2cc(C#N)c3ccccc3n2)CC1 ZINC000358338563 382576104 /nfs/dbraw/zinc/57/61/04/382576104.db2.gz CEYYHCUYBVHGRO-UHFFFAOYSA-N 1 1 292.386 2.592 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(C)(C)C#N ZINC000346862081 382548886 /nfs/dbraw/zinc/54/88/86/382548886.db2.gz AWSISAUUQOLRKC-LSDHHAIUSA-N 1 1 299.418 2.658 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(C)(C)C#N ZINC000346862081 382548892 /nfs/dbraw/zinc/54/88/92/382548892.db2.gz AWSISAUUQOLRKC-LSDHHAIUSA-N 1 1 299.418 2.658 20 30 CFEDMO C=CCC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000358292065 382551416 /nfs/dbraw/zinc/55/14/16/382551416.db2.gz GXHMSLDGVIJRBV-BZSNNMDCSA-N 1 1 292.467 2.699 20 30 CFEDMO C#CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000366893782 382552534 /nfs/dbraw/zinc/55/25/34/382552534.db2.gz CDFNZMNAKITBQC-YIONKMFJSA-N 1 1 292.423 2.872 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@H](CC(C)C)c1ccccn1 ZINC000294967644 382556509 /nfs/dbraw/zinc/55/65/09/382556509.db2.gz JTBMIXHWXVGOGK-QGZVFWFLSA-N 1 1 273.424 2.714 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@H](CC(C)C)c1ccccn1 ZINC000294967644 382556518 /nfs/dbraw/zinc/55/65/18/382556518.db2.gz JTBMIXHWXVGOGK-QGZVFWFLSA-N 1 1 273.424 2.714 20 30 CFEDMO C[N@H+]1CC[C@@H](CNC(=O)c2ccoc2)[C@@H]1c1cccnc1 ZINC000328640999 382557921 /nfs/dbraw/zinc/55/79/21/382557921.db2.gz XTEIPHOJZBZPQD-ZFWWWQNUSA-N 1 1 285.347 2.672 20 30 CFEDMO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC[N@@H+]1C ZINC000353253283 382531182 /nfs/dbraw/zinc/53/11/82/382531182.db2.gz 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/nfs/dbraw/zinc/62/60/78/382626078.db2.gz MKERBPOMUQNPBP-RHSMWYFYSA-N 1 1 271.408 2.863 20 30 CFEDMO CCN1CC[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C[C@H]1C ZINC000353752863 382626089 /nfs/dbraw/zinc/62/60/89/382626089.db2.gz MKERBPOMUQNPBP-RHSMWYFYSA-N 1 1 271.408 2.863 20 30 CFEDMO CCN1CC[C@@H]([N@@H+](C)Cc2cccc(C#N)c2)C[C@H]1C ZINC000353752863 382626091 /nfs/dbraw/zinc/62/60/91/382626091.db2.gz MKERBPOMUQNPBP-RHSMWYFYSA-N 1 1 271.408 2.863 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000395344286 382630135 /nfs/dbraw/zinc/63/01/35/382630135.db2.gz CXARHLQROAMCTP-HNNXBMFYSA-N 1 1 288.391 2.550 20 30 CFEDMO Cc1cncc(C[N@@H+](C)Cc2cccc(C#N)c2)c1 ZINC000189760642 382639953 /nfs/dbraw/zinc/63/99/53/382639953.db2.gz DUPGFOZOJLLSKQ-UHFFFAOYSA-N 1 1 251.333 2.894 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000189886394 382643951 /nfs/dbraw/zinc/64/39/51/382643951.db2.gz UEGXUSCEDVXGTJ-AEZOWIDVSA-N 1 1 256.349 2.607 20 30 CFEDMO C=C(C)CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000189982448 382648500 /nfs/dbraw/zinc/64/85/00/382648500.db2.gz OOPWXIRQFLFTEO-CQSZACIVSA-N 1 1 295.814 2.818 20 30 CFEDMO COc1ccc(C[N@H+]2CCSC[C@H](C)C2)cc1C#N ZINC000190395248 382665842 /nfs/dbraw/zinc/66/58/42/382665842.db2.gz HLVYQIVOELDHMY-GFCCVEGCSA-N 1 1 276.405 2.752 20 30 CFEDMO C[C@@H]1CSCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000190469737 382669843 /nfs/dbraw/zinc/66/98/43/382669843.db2.gz UOAQQXWPSYYPDF-ZDUSSCGKSA-N 1 1 276.405 2.622 20 30 CFEDMO COCC[N@H+](Cc1ccc(C#N)cc1)C[C@H]1CC[C@@H](C)O1 ZINC000190486934 382670809 /nfs/dbraw/zinc/67/08/09/382670809.db2.gz CKJKOEVROHCZIF-RHSMWYFYSA-N 1 1 288.391 2.574 20 30 CFEDMO C[C@@H]1CSCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000190844987 382682328 /nfs/dbraw/zinc/68/23/28/382682328.db2.gz XWUYUEAKOBDSIZ-JTQLQIEISA-N 1 1 252.408 2.805 20 30 CFEDMO CO[C@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)[C@H](C)C1 ZINC000399050196 382637133 /nfs/dbraw/zinc/63/71/33/382637133.db2.gz UWOHVPKURVDYNS-CJNGLKHVSA-N 1 1 258.365 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283.375 2.831 20 30 CFEDMO CC1(C#N)CC[NH+](C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000272487045 263005380 /nfs/dbraw/zinc/00/53/80/263005380.db2.gz BUNQWOWSOSLGNO-AWEZNQCLSA-N 1 1 280.318 2.624 20 30 CFEDMO COc1ccc(C[NH+]2CCC(C)(C#N)CC2)cc1O ZINC000272572195 263006774 /nfs/dbraw/zinc/00/67/74/263006774.db2.gz WHONHWBPFOALGP-UHFFFAOYSA-N 1 1 260.337 2.526 20 30 CFEDMO COC(=O)c1ccc(C[NH+]2CCC(C)(C#N)CC2)s1 ZINC000272563709 263006815 /nfs/dbraw/zinc/00/68/15/263006815.db2.gz LZQHSJVICCNXOV-UHFFFAOYSA-N 1 1 278.377 2.660 20 30 CFEDMO CC(C)Cn1cc(C[NH+]2CCC(C)(C#N)CC2)cn1 ZINC000272993733 263010591 /nfs/dbraw/zinc/01/05/91/263010591.db2.gz XPLFMOCIBPJVBO-UHFFFAOYSA-N 1 1 260.385 2.665 20 30 CFEDMO Cc1nnc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)s1 ZINC000274220695 263022058 /nfs/dbraw/zinc/02/20/58/263022058.db2.gz PQRRSCXJIDZCPO-JMJZKYOTSA-N 1 1 250.371 2.580 20 30 CFEDMO CCCCC(N)=[NH+]OCc1nc(-c2ccccc2F)no1 ZINC000275401566 263033210 /nfs/dbraw/zinc/03/32/10/263033210.db2.gz BDCZRBLLSDGXCI-UHFFFAOYSA-N 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ZYVAIWVBBFUFDI-QWHCGFSZSA-N 1 1 275.377 2.572 20 30 CFEDMO CC(C)(C#N)CC[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000347109038 278257297 /nfs/dbraw/zinc/25/72/97/278257297.db2.gz OUTROPSFYDEBOD-INIZCTEOSA-N 1 1 280.412 2.586 20 30 CFEDMO C[C@@H](NCCC[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000020129003 278344616 /nfs/dbraw/zinc/34/46/16/278344616.db2.gz RJTWZSIKYDKUPK-CQSZACIVSA-N 1 1 257.381 2.695 20 30 CFEDMO C[C@H]1CC[C@H]([N@@H+](CCO)CCCC2(C#N)CCOCC2)C1 ZINC000351628117 278382572 /nfs/dbraw/zinc/38/25/72/278382572.db2.gz LGZIDYHVQMKICY-HOTGVXAUSA-N 1 1 294.439 2.570 20 30 CFEDMO C[C@@H](Nc1cccc(Cl)c1C#N)[C@@H](C)[NH+]1CCOCC1 ZINC000297321576 278390156 /nfs/dbraw/zinc/39/01/56/278390156.db2.gz ZPSPYRYFTCRDJY-VXGBXAGGSA-N 1 1 293.798 2.733 20 30 CFEDMO CC[NH+](CC)[C@H](C)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000279945308 279160873 /nfs/dbraw/zinc/16/08/73/279160873.db2.gz BLCYXDDHBIMQPC-KGLIPLIRSA-N 1 1 259.397 2.939 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@@H+](CC(C)C)C1CCCC1 ZINC000346730889 279172242 /nfs/dbraw/zinc/17/22/42/279172242.db2.gz HXWGPDQRFKZYMU-UHFFFAOYSA-N 1 1 279.428 2.649 20 30 CFEDMO C[C@H]1C[C@H](Nc2nccc(C#N)c2Cl)CC[N@H+]1C ZINC000235716350 280014287 /nfs/dbraw/zinc/01/42/87/280014287.db2.gz YCYCGFCDDILCCI-GXSJLCMTSA-N 1 1 264.760 2.501 20 30 CFEDMO Cc1c(C#N)cccc1NC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000350224653 280203062 /nfs/dbraw/zinc/20/30/62/280203062.db2.gz NWDSVANDAURVLC-LBPRGKRZSA-N 1 1 288.395 2.717 20 30 CFEDMO COC(=O)[C@H](c1cccc(C#N)c1)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000246431327 280985646 /nfs/dbraw/zinc/98/56/46/280985646.db2.gz LHGXHAISRPDZQG-ULQDDVLXSA-N 1 1 298.386 2.894 20 30 CFEDMO CO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(F)c2)CC[C@H]1C ZINC000248845179 281037508 /nfs/dbraw/zinc/03/75/08/281037508.db2.gz MYVHHEYXDFPVPZ-IAQYHMDHSA-N 1 1 262.328 2.554 20 30 CFEDMO Cc1cc[nH+]c(N2CCCN(c3ccccc3C#N)CC2)c1 ZINC000268321111 281454553 /nfs/dbraw/zinc/45/45/53/281454553.db2.gz NAYQGROEDFZSSZ-UHFFFAOYSA-N 1 1 292.386 2.978 20 30 CFEDMO COc1ccc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)cc1F ZINC000562048640 282065798 /nfs/dbraw/zinc/06/57/98/282065798.db2.gz ZMCBLJYVHFNYAO-LLVKDONJSA-N 1 1 285.322 2.952 20 30 CFEDMO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C#N)c(Cl)c1 ZINC000562256668 282069538 /nfs/dbraw/zinc/06/95/38/282069538.db2.gz WBYZYOIKOUQSLT-LLVKDONJSA-N 1 1 293.798 2.670 20 30 CFEDMO Cc1nnc([C@H]2CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)[nH]1 ZINC000562704501 290068590 /nfs/dbraw/zinc/06/85/90/290068590.db2.gz AHAJRGLWIMBUMX-NHYWBVRUSA-N 1 1 281.363 2.535 20 30 CFEDMO Cc1n[nH]c([C@H]2CC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000562704501 290068593 /nfs/dbraw/zinc/06/85/93/290068593.db2.gz AHAJRGLWIMBUMX-NHYWBVRUSA-N 1 1 281.363 2.535 20 30 CFEDMO Cc1n[nH]c([C@H]2CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n1 ZINC000562704501 290068596 /nfs/dbraw/zinc/06/85/96/290068596.db2.gz AHAJRGLWIMBUMX-NHYWBVRUSA-N 1 1 281.363 2.535 20 30 CFEDMO Cc1nc([C@H]2CC[N@@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000562704501 290068600 /nfs/dbraw/zinc/06/86/00/290068600.db2.gz AHAJRGLWIMBUMX-NHYWBVRUSA-N 1 1 281.363 2.535 20 30 CFEDMO Cc1nc([C@H]2CC[N@H+]([C@@H](C)c3ccc(C#N)cc3)C2)n[nH]1 ZINC000562704501 290068603 /nfs/dbraw/zinc/06/86/03/290068603.db2.gz AHAJRGLWIMBUMX-NHYWBVRUSA-N 1 1 281.363 2.535 20 30 CFEDMO C[N@H+]1CC[C@@H](C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)C1 ZINC000336626800 290125982 /nfs/dbraw/zinc/12/59/82/290125982.db2.gz DDWNDWKKSBBCHX-TUBUQKNSSA-N 1 1 291.439 2.553 20 30 CFEDMO C[N@H+]1CC[C@H](Nc2cccc(C#N)n2)[C@@H]1c1ccccc1 ZINC000270284696 290226135 /nfs/dbraw/zinc/22/61/35/290226135.db2.gz MYEGORISFKNCMK-RDJZCZTQSA-N 1 1 278.359 2.811 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC1(O)CCCC1 ZINC000187695474 290245544 /nfs/dbraw/zinc/24/55/44/290245544.db2.gz KIUVCHGBIHFAAJ-CYBMUJFWSA-N 1 1 258.365 2.856 20 30 CFEDMO CC(C)[C@@H]1CCCC[N@H+]1Cc1cnc2c(C#N)cnn2c1 ZINC000564989577 290255287 /nfs/dbraw/zinc/25/52/87/290255287.db2.gz RQOCNEKJNKGGPU-HNNXBMFYSA-N 1 1 283.379 2.611 20 30 CFEDMO Cc1nc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)[nH]c1C ZINC000565243148 290288862 /nfs/dbraw/zinc/28/88/62/290288862.db2.gz WBGJGCFTKVOZLP-LBPRGKRZSA-N 1 1 254.337 2.749 20 30 CFEDMO C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCS1 ZINC000565308354 290293661 /nfs/dbraw/zinc/29/36/61/290293661.db2.gz UPKDBDNBNBIIQM-NSHDSACASA-N 1 1 291.376 2.794 20 30 CFEDMO N#Cc1c2c(cnc1NC[C@@H]1CCCn3cc[nH+]c31)CCC2 ZINC000566135738 290351602 /nfs/dbraw/zinc/35/16/02/290351602.db2.gz XCEWYQNTPTUIRB-ZDUSSCGKSA-N 1 1 293.374 2.628 20 30 CFEDMO C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000566301988 290368580 /nfs/dbraw/zinc/36/85/80/290368580.db2.gz RGUDDPHSVXGKLO-MNOVXSKESA-N 1 1 259.309 2.697 20 30 CFEDMO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000566301987 290369125 /nfs/dbraw/zinc/36/91/25/290369125.db2.gz RGUDDPHSVXGKLO-GHMZBOCLSA-N 1 1 259.309 2.697 20 30 CFEDMO C[N@@H+](CCCOc1ccc(F)cc1)Cc1ccc(C#N)cn1 ZINC000566419331 290381892 /nfs/dbraw/zinc/38/18/92/290381892.db2.gz SKEQZRBZYPOEOY-UHFFFAOYSA-N 1 1 299.349 2.993 20 30 CFEDMO Cc1nc(N2CC[N@H+](C)C[C@@H]2C(C)C)c(Cl)cc1C#N ZINC000360084920 293297454 /nfs/dbraw/zinc/29/74/54/293297454.db2.gz VGHCBKMPNWHVDY-CQSZACIVSA-N 1 1 292.814 2.692 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccsc1 ZINC001085475443 782071707 /nfs/dbraw/zinc/07/17/07/782071707.db2.gz AUOKVRRPOSGJSE-AWEZNQCLSA-N 1 1 278.421 2.861 20 30 CFEDMO C[C@@H]1C[C@H](O)C[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000412040332 328102126 /nfs/dbraw/zinc/10/21/26/328102126.db2.gz RCNOIIXUQHASPP-DOMZBBRYSA-N 1 1 297.320 2.760 20 30 CFEDMO C=CCC[C@@H](NC[C@H](O)C[N@@H+](C)CC)c1ccccc1 ZINC000571341087 328112701 /nfs/dbraw/zinc/11/27/01/328112701.db2.gz ZQXQJPUUODCWAD-DLBZAZTESA-N 1 1 276.424 2.596 20 30 CFEDMO C=CCC[C@@H](NC[C@H](O)C[N@H+](C)CC)c1ccccc1 ZINC000571341087 328112702 /nfs/dbraw/zinc/11/27/02/328112702.db2.gz ZQXQJPUUODCWAD-DLBZAZTESA-N 1 1 276.424 2.596 20 30 CFEDMO C=CCC[C@@H]([NH2+]C[C@H](O)CN(C)CC)c1ccccc1 ZINC000571341087 328112703 /nfs/dbraw/zinc/11/27/03/328112703.db2.gz ZQXQJPUUODCWAD-DLBZAZTESA-N 1 1 276.424 2.596 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](CC)c1nccs1 ZINC000161151187 328137330 /nfs/dbraw/zinc/13/73/30/328137330.db2.gz PVHUOOHTYJHJRY-OLZOCXBDSA-N 1 1 295.452 2.997 20 30 CFEDMO C=CCOc1ccc(C[NH2+]Cc2cc(C)n(C)n2)cc1 ZINC000414445536 328172858 /nfs/dbraw/zinc/17/28/58/328172858.db2.gz WULQSOQWAVFGMV-UHFFFAOYSA-N 1 1 271.364 2.583 20 30 CFEDMO CC(C)c1[nH+]ccn1C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000270113112 328191733 /nfs/dbraw/zinc/19/17/33/328191733.db2.gz LKFJCJHBSOJWOS-OAHLLOKOSA-N 1 1 299.374 2.512 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](C)Cc1cc(Br)ccc1O ZINC000271137991 328195388 /nfs/dbraw/zinc/19/53/88/328195388.db2.gz SWDHQPFDOILKBF-VIFPVBQESA-N 1 1 283.169 2.746 20 30 CFEDMO CC[N@@H+](C)[C@@H](C(=O)N1CCC(C)(C#N)CC1)c1ccccc1 ZINC000272506358 328200017 /nfs/dbraw/zinc/20/00/17/328200017.db2.gz IFXGQXFZTUAFND-MRXNPFEDSA-N 1 1 299.418 2.832 20 30 CFEDMO Cc1cccc(C)c1NC(=O)C[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000278535743 328226768 /nfs/dbraw/zinc/22/67/68/328226768.db2.gz FRZUYNMFZQQMCY-LSDHHAIUSA-N 1 1 285.391 2.866 20 30 CFEDMO Cc1cccc(C)c1NC(=O)C[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000278535743 328226770 /nfs/dbraw/zinc/22/67/70/328226770.db2.gz FRZUYNMFZQQMCY-LSDHHAIUSA-N 1 1 285.391 2.866 20 30 CFEDMO Cc1cccc(CN2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)c1 ZINC000278600633 328227831 /nfs/dbraw/zinc/22/78/31/328227831.db2.gz LUWMMICBYVCAIO-FUHWJXTLSA-N 1 1 283.419 2.805 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](c3ccccc3)C2)C1 ZINC000284446378 328245888 /nfs/dbraw/zinc/24/58/88/328245888.db2.gz ZRZBSKDZMFDLKG-FVQBIDKESA-N 1 1 256.349 2.752 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](c3ccccc3)C2)C1 ZINC000284446378 328245889 /nfs/dbraw/zinc/24/58/89/328245889.db2.gz ZRZBSKDZMFDLKG-FVQBIDKESA-N 1 1 256.349 2.752 20 30 CFEDMO N#CCC[C@H](C#N)C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289541710 328255160 /nfs/dbraw/zinc/25/51/60/328255160.db2.gz SZUFZYNYKFYDMR-WBVHZDCISA-N 1 1 294.402 2.567 20 30 CFEDMO CO[C@H](Cc1ccccc1)C[N@@H+](CCC#N)CC1CC1 ZINC000295092343 328285147 /nfs/dbraw/zinc/28/51/47/328285147.db2.gz SJSQAPBXCPHIRF-QGZVFWFLSA-N 1 1 272.392 2.870 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cncc(C)c1 ZINC001085528521 782087872 /nfs/dbraw/zinc/08/78/72/782087872.db2.gz ANBBEHBHWDXTAM-MRXNPFEDSA-N 1 1 287.407 2.503 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000298337566 328295761 /nfs/dbraw/zinc/29/57/61/328295761.db2.gz BHMJBFGBAGBDQU-PBHICJAKSA-N 1 1 290.382 2.745 20 30 CFEDMO C[C@H](CCC#N)[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000298629472 328296955 /nfs/dbraw/zinc/29/69/55/328296955.db2.gz VRDIPWNHAOUNAV-GFCCVEGCSA-N 1 1 261.325 2.761 20 30 CFEDMO CC(C)[N@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000049400247 328358835 /nfs/dbraw/zinc/35/88/35/328358835.db2.gz FORZIGYXOHTFIZ-UHFFFAOYSA-N 1 1 270.402 2.764 20 30 CFEDMO CC(C)[N@@H+](C)CC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000049400247 328358836 /nfs/dbraw/zinc/35/88/36/328358836.db2.gz FORZIGYXOHTFIZ-UHFFFAOYSA-N 1 1 270.402 2.764 20 30 CFEDMO CCn1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])cn1 ZINC000572769172 322631125 /nfs/dbraw/zinc/63/11/25/322631125.db2.gz QUVAFHJTJTUCGI-LLVKDONJSA-N 1 1 299.334 2.534 20 30 CFEDMO C[C@@H]1CSCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192035205 324056880 /nfs/dbraw/zinc/05/68/80/324056880.db2.gz FWPFMGIBFLWYOP-SNVBAGLBSA-N 1 1 250.342 2.635 20 30 CFEDMO C[C@@H]1CSCC[N@H+]1Cc1ccc(C#N)c(F)c1 ZINC000192035205 324056883 /nfs/dbraw/zinc/05/68/83/324056883.db2.gz FWPFMGIBFLWYOP-SNVBAGLBSA-N 1 1 250.342 2.635 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CCS[C@@H](C)CC1 ZINC000192181533 324057105 /nfs/dbraw/zinc/05/71/05/324057105.db2.gz WPEFMPZMKXAJPG-LBPRGKRZSA-N 1 1 276.405 2.894 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000054183776 328485354 /nfs/dbraw/zinc/48/53/54/328485354.db2.gz NXSMYAVUOPMURC-LLVKDONJSA-N 1 1 260.366 2.920 20 30 CFEDMO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ncccn1 ZINC000576888395 324672351 /nfs/dbraw/zinc/67/23/51/324672351.db2.gz NAFAGRBVAHMPQW-INIZCTEOSA-N 1 1 278.359 2.906 20 30 CFEDMO Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cc(C#N)ccc1C)CC2 ZINC000581073621 325087724 /nfs/dbraw/zinc/08/77/24/325087724.db2.gz HWCARNGXKNRGNR-AWEZNQCLSA-N 1 1 294.358 2.573 20 30 CFEDMO CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(C#N)cn2)C1(C)C ZINC000581377734 325115836 /nfs/dbraw/zinc/11/58/36/325115836.db2.gz NFHTXGUUZSLJKI-ZBFHGGJFSA-N 1 1 273.380 2.589 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCS1 ZINC000581827310 325151607 /nfs/dbraw/zinc/15/16/07/325151607.db2.gz MHODBSJKKWLODS-CYBMUJFWSA-N 1 1 291.376 2.794 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])CCS1 ZINC000581827310 325151610 /nfs/dbraw/zinc/15/16/10/325151610.db2.gz MHODBSJKKWLODS-CYBMUJFWSA-N 1 1 291.376 2.794 20 30 CFEDMO CC(C)CC[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CC1 ZINC000582606854 325218515 /nfs/dbraw/zinc/21/85/15/325218515.db2.gz 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O[C@@H]1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@H]2C1 ZINC000451701490 331039517 /nfs/dbraw/zinc/03/95/17/331039517.db2.gz QNOMXSQOHVOXMA-XYJFISCASA-N 1 1 287.378 2.660 20 30 CFEDMO O[C@@H]1CC[C@H]2C[N@@H+](CC#Cc3ccc(F)cc3)CC[C@@H]2C1 ZINC000451701488 331039538 /nfs/dbraw/zinc/03/95/38/331039538.db2.gz QNOMXSQOHVOXMA-SOLBZPMBSA-N 1 1 287.378 2.660 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451699548 331039559 /nfs/dbraw/zinc/03/95/59/331039559.db2.gz VPGGTBDJONGGQA-KFWWJZLASA-N 1 1 264.413 2.799 20 30 CFEDMO CO[C@@H]1C[C@@H]([N@@H+](C)CCCSCC#N)C12CCC2 ZINC000451855070 331044930 /nfs/dbraw/zinc/04/49/30/331044930.db2.gz RPZTYQXNLASNKW-CHWSQXEVSA-N 1 1 268.426 2.523 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@]2(CCSC2)C1 ZINC000451963291 331048435 /nfs/dbraw/zinc/04/84/35/331048435.db2.gz HJTNNJVTSJSGSX-ZIAGYGMSSA-N 1 1 255.427 2.533 20 30 CFEDMO N#CCSCCC[N@H+]1CCC[C@]2(CCSC2)C1 ZINC000451966129 331048730 /nfs/dbraw/zinc/04/87/30/331048730.db2.gz LSBSGDCASCSSPB-ZDUSSCGKSA-N 1 1 270.467 2.852 20 30 CFEDMO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CCSC3)C2)C1 ZINC000451977611 331049196 /nfs/dbraw/zinc/04/91/96/331049196.db2.gz NOCZFWUBGACTMP-HZSPNIEDSA-N 1 1 250.411 2.898 20 30 CFEDMO C=CCOCCC[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000452031343 331051086 /nfs/dbraw/zinc/05/10/86/331051086.db2.gz KQXXNYXNQWSLCN-UHFFFAOYSA-N 1 1 294.361 2.538 20 30 CFEDMO C=C(C)CC[N@H+](CCO)Cc1cccc(OCC)c1 ZINC000452050412 331052174 /nfs/dbraw/zinc/05/21/74/331052174.db2.gz VFTKXLXXOHTJIX-UHFFFAOYSA-N 1 1 263.381 2.846 20 30 CFEDMO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+](C(C)C)C1CC(C)(C)C1 ZINC000452106290 331054440 /nfs/dbraw/zinc/05/44/40/331054440.db2.gz PSMHOCADDUKCOQ-AWEZNQCLSA-N 1 1 293.455 2.894 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452178312 331057193 /nfs/dbraw/zinc/05/71/93/331057193.db2.gz YYLSGVCQLOALLQ-CZUORRHYSA-N 1 1 264.413 2.531 20 30 CFEDMO C=CC(C)(C)CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000452775815 331076518 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C=C(CC)CNC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000455529913 331172415 /nfs/dbraw/zinc/17/24/15/331172415.db2.gz ZCZBAMSNLHKCAV-OAHLLOKOSA-N 1 1 281.444 2.620 20 30 CFEDMO C=CCC1(C(=O)NCCCC[N@H+](C)C2CC2)CCC1 ZINC000457169824 331213647 /nfs/dbraw/zinc/21/36/47/331213647.db2.gz PLCYICVKCXTGSI-UHFFFAOYSA-N 1 1 264.413 2.723 20 30 CFEDMO C=CCC1(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000458237384 331245793 /nfs/dbraw/zinc/24/57/93/331245793.db2.gz ZAIWEZTUHZCXLG-CQSZACIVSA-N 1 1 264.413 2.581 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000458623279 331254541 /nfs/dbraw/zinc/25/45/41/331254541.db2.gz QKBGDGNSMNZQTA-LSDHHAIUSA-N 1 1 281.444 2.855 20 30 CFEDMO C=CC(C)(C)CNC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000458992279 331264869 /nfs/dbraw/zinc/26/48/69/331264869.db2.gz VNEUJFKDIRBQCA-UHFFFAOYSA-N 1 1 281.444 2.620 20 30 CFEDMO CCOc1cc(C[N@H+](CC)C[C@@H](C)C#N)ccc1O ZINC000459332794 331276518 /nfs/dbraw/zinc/27/65/18/331276518.db2.gz XDUOPLJBPCJYSD-LBPRGKRZSA-N 1 1 262.353 2.772 20 30 CFEDMO CCOc1cc(C[N@@H+](CC)C[C@@H](C)C#N)ccc1O ZINC000459332794 331276519 /nfs/dbraw/zinc/27/65/19/331276519.db2.gz XDUOPLJBPCJYSD-LBPRGKRZSA-N 1 1 262.353 2.772 20 30 CFEDMO CCOc1cc(C[N@H+](CC)C[C@H](C)C#N)ccc1O ZINC000459332793 331276549 /nfs/dbraw/zinc/27/65/49/331276549.db2.gz XDUOPLJBPCJYSD-GFCCVEGCSA-N 1 1 262.353 2.772 20 30 CFEDMO CCOc1cc(C[N@@H+](CC)C[C@H](C)C#N)ccc1O ZINC000459332793 331276550 /nfs/dbraw/zinc/27/65/50/331276550.db2.gz XDUOPLJBPCJYSD-GFCCVEGCSA-N 1 1 262.353 2.772 20 30 CFEDMO C[C@H](C#N)C[N@H+](CCOCC1CCCC1)C1CC1 ZINC000459374814 331278908 /nfs/dbraw/zinc/27/89/08/331278908.db2.gz MILIVWHHANURLG-CYBMUJFWSA-N 1 1 250.386 2.817 20 30 CFEDMO C[C@H](C#N)C[N@@H+](CCOCC1CCCC1)C1CC1 ZINC000459374814 331278909 /nfs/dbraw/zinc/27/89/09/331278909.db2.gz MILIVWHHANURLG-CYBMUJFWSA-N 1 1 250.386 2.817 20 30 CFEDMO CC(C)CCC[C@H](C)NC(=O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459450454 331281831 /nfs/dbraw/zinc/28/18/31/331281831.db2.gz ANSTZBGHWUYDKR-SOUVJXGZSA-N 1 1 279.428 2.599 20 30 CFEDMO CC(C)C[N@H+](Cc1cnn(C)c1)CC1(C#N)CCC1 ZINC000459595383 331289809 /nfs/dbraw/zinc/28/98/09/331289809.db2.gz MRBWRYYZNHBUSV-UHFFFAOYSA-N 1 1 260.385 2.572 20 30 CFEDMO CC(C)C[N@@H+](Cc1cnn(C)c1)CC1(C#N)CCC1 ZINC000459595383 331289810 /nfs/dbraw/zinc/28/98/10/331289810.db2.gz MRBWRYYZNHBUSV-UHFFFAOYSA-N 1 1 260.385 2.572 20 30 CFEDMO CC(C)(CCC#N)C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459666901 331293093 /nfs/dbraw/zinc/29/30/93/331293093.db2.gz HRJHEINVQJRIBR-ZIAGYGMSSA-N 1 1 262.397 2.817 20 30 CFEDMO C=C[C@H]1CCCCN1C(=O)N[C@H](C)C[N@H+](CC)CCC ZINC000462615776 331324018 /nfs/dbraw/zinc/32/40/18/331324018.db2.gz MZFKASQYRCRWEJ-CABCVRRESA-N 1 1 281.444 2.857 20 30 CFEDMO C=C[C@@H]1CCCCN1C(=O)N[C@@H](C)C[N@H+](CC)CCC ZINC000463058827 331339040 /nfs/dbraw/zinc/33/90/40/331339040.db2.gz MZFKASQYRCRWEJ-LSDHHAIUSA-N 1 1 281.444 2.857 20 30 CFEDMO C=CCCCCCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000466050197 331388964 /nfs/dbraw/zinc/38/89/64/331388964.db2.gz NEQHFLBQEOZSHW-HUUCEWRRSA-N 1 1 281.444 2.857 20 30 CFEDMO C=CC[C@H](CC)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000466400324 331394972 /nfs/dbraw/zinc/39/49/72/331394972.db2.gz CLMSXYQYVHDMCG-GJZGRUSLSA-N 1 1 281.444 2.857 20 30 CFEDMO C=CCn1cccc1C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000488500047 332013906 /nfs/dbraw/zinc/01/39/06/332013906.db2.gz OSNIRHNWABLGKR-HUUCEWRRSA-N 1 1 289.423 2.667 20 30 CFEDMO C=CCCc1ccccc1NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000488547816 332016513 /nfs/dbraw/zinc/01/65/13/332016513.db2.gz JQVNQPKPDSGGGE-ZFWWWQNUSA-N 1 1 272.392 2.941 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc(Cl)cc1 ZINC000489409007 332050459 /nfs/dbraw/zinc/05/04/59/332050459.db2.gz WYQZUTQBDJVKKW-HNNXBMFYSA-N 1 1 292.810 2.997 20 30 CFEDMO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000489419642 332050833 /nfs/dbraw/zinc/05/08/33/332050833.db2.gz ABZPNVYUXCVWSB-DZGCQCFKSA-N 1 1 276.424 2.816 20 30 CFEDMO C=CCCCCC[N@H+](CCOC)[C@H]1CCO[C@H]1C ZINC000489411445 332051010 /nfs/dbraw/zinc/05/10/10/332051010.db2.gz JFYHNWXREQPDEP-GJZGRUSLSA-N 1 1 255.402 2.859 20 30 CFEDMO C=C[C@@H]1CCCC[N@H+]1CC(=O)NCCCc1ccccc1 ZINC000489464110 332054267 /nfs/dbraw/zinc/05/42/67/332054267.db2.gz OHHGBUADTKALLK-QGZVFWFLSA-N 1 1 286.419 2.776 20 30 CFEDMO COCC[N@@H+](CCCCC(C)(C)C#N)Cc1ccnn1C ZINC000489867404 332071216 /nfs/dbraw/zinc/07/12/16/332071216.db2.gz WQDJTJANMXPLCV-UHFFFAOYSA-N 1 1 292.427 2.589 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1ccnn1-c1ccccc1C ZINC000490720167 332109005 /nfs/dbraw/zinc/10/90/05/332109005.db2.gz QEVFBGQXQCNYLQ-AWEZNQCLSA-N 1 1 253.349 2.634 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1ccnn1-c1ccccc1C ZINC000490720167 332109006 /nfs/dbraw/zinc/10/90/06/332109006.db2.gz QEVFBGQXQCNYLQ-AWEZNQCLSA-N 1 1 253.349 2.634 20 30 CFEDMO C#CC[N@H+](Cc1ccc2c(c1)ncn2C)C1CCCC1 ZINC000490917687 332129116 /nfs/dbraw/zinc/12/91/16/332129116.db2.gz ZAGCEJCFJLNQEH-UHFFFAOYSA-N 1 1 267.376 2.951 20 30 CFEDMO C#CC[N@@H+](CCc1ccncc1)Cc1ccccc1 ZINC000491180021 332161226 /nfs/dbraw/zinc/16/12/26/332161226.db2.gz JBZZRPXXNZSVLG-UHFFFAOYSA-N 1 1 250.345 2.760 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000491201478 332164506 /nfs/dbraw/zinc/16/45/06/332164506.db2.gz ICMHEXZDGAJCIZ-NSHDSACASA-N 1 1 259.378 2.602 20 30 CFEDMO C#C[C@H](C)[N@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000491286673 332181216 /nfs/dbraw/zinc/18/12/16/332181216.db2.gz JAOZXYJEKYWNFM-SWLSCSKDSA-N 1 1 292.448 2.905 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000491286673 332181217 /nfs/dbraw/zinc/18/12/17/332181217.db2.gz JAOZXYJEKYWNFM-SWLSCSKDSA-N 1 1 292.448 2.905 20 30 CFEDMO C#CC[N@H+](Cc1ccc(OCC)c(OC)c1)C1CC1 ZINC000491314213 332188081 /nfs/dbraw/zinc/18/80/81/332188081.db2.gz DYPZNXDXNJAGSH-UHFFFAOYSA-N 1 1 259.349 2.692 20 30 CFEDMO C#C[C@H]([NH2+]Cc1nccn1Cc1ccccc1)C(C)C ZINC000491404928 332205648 /nfs/dbraw/zinc/20/56/48/332205648.db2.gz FNTTWVTZWZZTJI-INIZCTEOSA-N 1 1 267.376 2.679 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc(OC)c(Cl)c1 ZINC000491427732 332209702 /nfs/dbraw/zinc/20/97/02/332209702.db2.gz LXSLQGDYZVJCIP-LLVKDONJSA-N 1 1 294.782 2.631 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000491536970 332232333 /nfs/dbraw/zinc/23/23/33/332232333.db2.gz NILUUZAJYMNVFV-ZDUSSCGKSA-N 1 1 253.349 2.839 20 30 CFEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H]2CCO[C@H](CC)C2)n1 ZINC000491631807 332254166 /nfs/dbraw/zinc/25/41/66/332254166.db2.gz RROHWHHGBVWLOA-NVXWUHKLSA-N 1 1 289.423 2.543 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000491635023 332256302 /nfs/dbraw/zinc/25/63/02/332256302.db2.gz KDZGFOTXXKIOEV-RHSMWYFYSA-N 1 1 273.376 2.698 20 30 CFEDMO C#CC[N@@H+](Cc1c[nH]nc1-c1ccsc1)C1CC1 ZINC000491637556 332258220 /nfs/dbraw/zinc/25/82/20/332258220.db2.gz WIBMYWXJLIYGQX-UHFFFAOYSA-N 1 1 257.362 2.736 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CCC(F)(F)C2)n1 ZINC000491654994 332267059 /nfs/dbraw/zinc/26/70/59/332267059.db2.gz 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/nfs/dbraw/zinc/07/05/50/574070550.db2.gz CVIXMTKLLUPYEB-GPANFISMSA-N 1 1 276.424 2.559 20 30 CFEDMO CC(C)c1[nH+]ccn1CCNC(=O)C1(C#N)CCCCC1 ZINC000744390590 574072201 /nfs/dbraw/zinc/07/22/01/574072201.db2.gz NDSXFTLSSYCAMI-UHFFFAOYSA-N 1 1 288.395 2.597 20 30 CFEDMO C[C@@H]1CC(N=Nc2cc(F)cc(F)c2)C[N@H+]1C1CC1 ZINC000753960650 574083706 /nfs/dbraw/zinc/08/37/06/574083706.db2.gz TVFFUHNGKCUVIM-SECBINFHSA-N 1 1 265.307 2.989 20 30 CFEDMO CC(C)[N@@H+]1CC(N=Nc2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000754258010 574084758 /nfs/dbraw/zinc/08/47/58/574084758.db2.gz GXCKVPLGJXQQAK-GFCCVEGCSA-N 1 1 299.378 2.865 20 30 CFEDMO CC(C)[N@@H+]1CC(N=Nc2ccnc3ccccc23)[C@H](C)C1 ZINC000754256518 574084767 /nfs/dbraw/zinc/08/47/67/574084767.db2.gz AVFUFNCDNIGGBO-CYBMUJFWSA-N 1 1 282.391 2.785 20 30 CFEDMO CCCCCCCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000731018655 574107512 /nfs/dbraw/zinc/10/75/12/574107512.db2.gz WRNBVQJOFLZUJT-OAHLLOKOSA-N 1 1 266.429 2.947 20 30 CFEDMO COCC[N@@H+](Cc1ccc(OCC#N)cc1)C1CCCC1 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CCCCCCCC(=O)N1CC[NH+](CCOCC)CC1 ZINC000732121860 574143361 /nfs/dbraw/zinc/14/33/61/574143361.db2.gz OGLGUPDZVPKGDE-UHFFFAOYSA-N 1 1 284.444 2.528 20 30 CFEDMO CCCCCC[N@@H+](C)CC(=O)NC1(C#N)CCCCC1 ZINC000732266663 574147976 /nfs/dbraw/zinc/14/79/76/574147976.db2.gz HSTKZMGCWLXCRZ-UHFFFAOYSA-N 1 1 279.428 2.841 20 30 CFEDMO N#CCCCCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000732356315 574153391 /nfs/dbraw/zinc/15/33/91/574153391.db2.gz IWPSFGDXYTVZFR-MRXNPFEDSA-N 1 1 286.375 2.888 20 30 CFEDMO N#CCCCCOC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000732356315 574153393 /nfs/dbraw/zinc/15/33/93/574153393.db2.gz IWPSFGDXYTVZFR-MRXNPFEDSA-N 1 1 286.375 2.888 20 30 CFEDMO CC(C)(C)[N@H+]1CCCN(c2snc(Cl)c2C#N)CC1 ZINC000732568520 574161557 /nfs/dbraw/zinc/16/15/57/574161557.db2.gz YONIPKBMUOOHNJ-UHFFFAOYSA-N 1 1 298.843 2.979 20 30 CFEDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000738318165 574164377 /nfs/dbraw/zinc/16/43/77/574164377.db2.gz AHHMEGNUSLMIEC-INIZCTEOSA-N 1 1 274.364 2.590 20 30 CFEDMO 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ZINC000741659460 574297954 /nfs/dbraw/zinc/29/79/54/574297954.db2.gz HXGAVVFAVBPBLB-UHFFFAOYSA-N 1 1 284.444 2.528 20 30 CFEDMO C#CC[N@H+](CC#CC)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000743852307 574310940 /nfs/dbraw/zinc/31/09/40/574310940.db2.gz LLWUXZRXYMYTMR-UHFFFAOYSA-N 1 1 295.338 2.678 20 30 CFEDMO C#CC[N@@H+](CC#CC)Cc1ccc2oc(C(=O)OC)cc2c1 ZINC000743852307 574310943 /nfs/dbraw/zinc/31/09/43/574310943.db2.gz LLWUXZRXYMYTMR-UHFFFAOYSA-N 1 1 295.338 2.678 20 30 CFEDMO Cc1[nH+]ccn1Cc1cc(Cl)ccc1OCC#N ZINC000735306016 574319962 /nfs/dbraw/zinc/31/99/62/574319962.db2.gz GUOZKHJOTHOCSP-UHFFFAOYSA-N 1 1 261.712 2.796 20 30 CFEDMO CC(C)[N@H+](Cc1cc(Cl)ccc1OCC#N)C[C@@H](C)O ZINC000735309213 574320613 /nfs/dbraw/zinc/32/06/13/574320613.db2.gz JGADHXJJYDFGBU-GFCCVEGCSA-N 1 1 296.798 2.834 20 30 CFEDMO C#Cc1cccc(N(CC)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000742251844 574321401 /nfs/dbraw/zinc/32/14/01/574321401.db2.gz JXLYWIABAYFLTG-GASCZTMLSA-N 1 1 284.403 2.894 20 30 CFEDMO C#CCCOc1ccc(CNCC[N@H+]2CCC[C@H]2C)cc1 ZINC000742386894 574327277 /nfs/dbraw/zinc/32/72/77/574327277.db2.gz LUCOFROEMRNXPG-MRXNPFEDSA-N 1 1 286.419 2.663 20 30 CFEDMO C#CCCOc1ccc(CNCC[N@@H+]2CCC[C@H]2C)cc1 ZINC000742386894 574327280 /nfs/dbraw/zinc/32/72/80/574327280.db2.gz LUCOFROEMRNXPG-MRXNPFEDSA-N 1 1 286.419 2.663 20 30 CFEDMO C=CCN(C(=O)C[N@H+](C)CCCCCC)C(C)C ZINC000735655091 574332254 /nfs/dbraw/zinc/33/22/54/574332254.db2.gz PKHLQFJULODDPK-UHFFFAOYSA-N 1 1 254.418 2.922 20 30 CFEDMO C[N@@H+](Cn1ccc(-c2ccc(C#N)cc2)n1)[C@@H]1CCSC1 ZINC000755792317 574336142 /nfs/dbraw/zinc/33/61/42/574336142.db2.gz XSNHLGNPDKOUPV-OAHLLOKOSA-N 1 1 298.415 2.817 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)C[C@H](C)CCCCC)CC1 ZINC000742606402 574336686 /nfs/dbraw/zinc/33/66/86/574336686.db2.gz FUNFEXGFJBQOQP-MRXNPFEDSA-N 1 1 278.440 2.760 20 30 CFEDMO c1ccc(C[NH+]2CCC(=NO[C@H]3CCCCO3)CC2)nc1 ZINC000755813454 574344825 /nfs/dbraw/zinc/34/48/25/574344825.db2.gz GSTALJCGLBEZAC-INIZCTEOSA-N 1 1 289.379 2.577 20 30 CFEDMO C[C@H]1C[N@@H+](C2CC2)CC1=NNCc1cc(F)ccc1F ZINC000755891249 574361410 /nfs/dbraw/zinc/36/14/10/574361410.db2.gz ZQPCFZPNFIOPHO-JTQLQIEISA-N 1 1 279.334 2.525 20 30 CFEDMO C[C@H]1C[N@H+](C2CC2)CC1=NNCc1cc(F)ccc1F ZINC000755891249 574361412 /nfs/dbraw/zinc/36/14/12/574361412.db2.gz ZQPCFZPNFIOPHO-JTQLQIEISA-N 1 1 279.334 2.525 20 30 CFEDMO C=CCn1nnn(C[N@H+]2CCC[C@H](C)[C@@H]2CCC)c1=S ZINC000743378888 574361883 /nfs/dbraw/zinc/36/18/83/574361883.db2.gz BRXAANWHBNOFKO-STQMWFEESA-N 1 1 295.456 2.853 20 30 CFEDMO C=CCn1nnn(C[N@@H+]2CCC[C@H](C)[C@@H]2CCC)c1=S ZINC000743378888 574361886 /nfs/dbraw/zinc/36/18/86/574361886.db2.gz BRXAANWHBNOFKO-STQMWFEESA-N 1 1 295.456 2.853 20 30 CFEDMO C=C(Cl)CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCCC ZINC000736398620 574366557 /nfs/dbraw/zinc/36/65/57/574366557.db2.gz AUWORFDXYMYVOP-ZDUSSCGKSA-N 1 1 287.835 2.693 20 30 CFEDMO C=CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000743841763 574373145 /nfs/dbraw/zinc/37/31/45/574373145.db2.gz 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288.435 2.561 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cocc1C ZINC001024605468 618411481 /nfs/dbraw/zinc/41/14/81/618411481.db2.gz XAWOPEFUDAMXTG-CQSZACIVSA-N 1 1 276.380 2.748 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001024610785 618414508 /nfs/dbraw/zinc/41/45/08/618414508.db2.gz YPDIQPSGUCBJNO-HOTGVXAUSA-N 1 1 290.451 2.807 20 30 CFEDMO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NCc1ccc(C#N)cc1 ZINC000067248367 618418050 /nfs/dbraw/zinc/41/80/50/618418050.db2.gz JTVHFDXRYWGFOW-LSDHHAIUSA-N 1 1 271.408 2.768 20 30 CFEDMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NCc1ccc(C#N)cc1 ZINC000067248367 618418058 /nfs/dbraw/zinc/41/80/58/618418058.db2.gz JTVHFDXRYWGFOW-LSDHHAIUSA-N 1 1 271.408 2.768 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1Cc2ccccc21 ZINC001024629234 618426606 /nfs/dbraw/zinc/42/66/06/618426606.db2.gz AAFRQJGPEZBNCH-SJLPKXTDSA-N 1 1 298.430 2.873 20 30 CFEDMO C=CC[C@@H]1CC[N@@H+](CCOC2CCSCC2)C1 ZINC000931164680 618429786 /nfs/dbraw/zinc/42/97/86/618429786.db2.gz 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C=C(C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(F)cc2C)C1 ZINC001009289066 618987993 /nfs/dbraw/zinc/98/79/93/618987993.db2.gz RFSCMDBDBHEDCB-HNNXBMFYSA-N 1 1 290.382 2.904 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](NC(=O)C2(c3cccc(C)c3)CC2)C1 ZINC001009632525 619004805 /nfs/dbraw/zinc/00/48/05/619004805.db2.gz XACMOKLJFNTTQS-KRWDZBQOSA-N 1 1 298.430 2.793 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)c2cccc3c2CCC3)C1 ZINC001009684845 619013263 /nfs/dbraw/zinc/01/32/63/619013263.db2.gz SJXUEWZPJXTNRO-MRXNPFEDSA-N 1 1 298.430 2.946 20 30 CFEDMO C=CCCCN(CC)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000893536627 619043006 /nfs/dbraw/zinc/04/30/06/619043006.db2.gz LLGFXWYLUAXENE-KBPBESRZSA-N 1 1 279.428 2.609 20 30 CFEDMO C=CC[N@H+](Cc1ncc(Br)cc1O)C1CC1 ZINC000893558639 619071185 /nfs/dbraw/zinc/07/11/85/619071185.db2.gz AMSDYYFUZNAPDW-UHFFFAOYSA-N 1 1 283.169 2.700 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1ccc(N(C)C)cc1C ZINC000840941721 619089275 /nfs/dbraw/zinc/08/92/75/619089275.db2.gz IZOMBWQXEISJIE-UHFFFAOYSA-N 1 1 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N#C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000932156488 619198051 /nfs/dbraw/zinc/19/80/51/619198051.db2.gz GKTQUNIXVJORGY-GFCCVEGCSA-N 1 1 291.782 2.904 20 30 CFEDMO CC[NH+](CC)[C@H](C)CNCc1ccc(O[C@@H](C)C#N)cc1 ZINC000236870022 619201153 /nfs/dbraw/zinc/20/11/53/619201153.db2.gz BDMRJQXOBKKLEJ-CABCVRRESA-N 1 1 289.423 2.797 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCC[C@@H](OC)C2)c1O ZINC000178886575 619269553 /nfs/dbraw/zinc/26/95/53/619269553.db2.gz HCSZTPMOIOUBIR-OAHLLOKOSA-N 1 1 291.391 2.740 20 30 CFEDMO COCCON=C1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000814865533 619284769 /nfs/dbraw/zinc/28/47/69/619284769.db2.gz XXZKPDBRGFTVFL-CQSZACIVSA-N 1 1 276.380 2.690 20 30 CFEDMO CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000879326228 619336400 /nfs/dbraw/zinc/33/64/00/619336400.db2.gz QLDYMAWIYHAQRM-GHMZBOCLSA-N 1 1 250.367 2.619 20 30 CFEDMO Cc1cc(C#N)nc(NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000894476718 619396418 /nfs/dbraw/zinc/39/64/18/619396418.db2.gz TVGNGZWFIYOXGJ-CYBMUJFWSA-N 1 1 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C#CCC[N@H+]1CC[C@]2(NC(=O)c3cccc(C)c3)CCC[C@H]12 ZINC000989927477 620403926 /nfs/dbraw/zinc/40/39/26/620403926.db2.gz ADJFRPPEPAKNCP-PKOBYXMFSA-N 1 1 296.414 2.745 20 30 CFEDMO C=CC[N@H+]1CC[C@@]2(NC(=O)c3occc3C)CCC[C@@H]12 ZINC000989951405 620405320 /nfs/dbraw/zinc/40/53/20/620405320.db2.gz NDABKIDBUIPPHF-CJNGLKHVSA-N 1 1 274.364 2.501 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@]2(NC(=O)C(C)C)CCC[C@H]12 ZINC000989957792 620406572 /nfs/dbraw/zinc/40/65/72/620406572.db2.gz LRRYHPZHFVYPJM-GOEBONIOSA-N 1 1 264.413 2.722 20 30 CFEDMO C#CC[N@H+]1CC[C@]2(NC(=O)CC3=CCCCC3)CCC[C@@H]12 ZINC000990060058 620408341 /nfs/dbraw/zinc/40/83/41/620408341.db2.gz ZICROSLISXDLQV-SJLPKXTDSA-N 1 1 286.419 2.623 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@]2(NC(=O)c3cnccc3C)CCC[C@@H]12 ZINC000990121574 620409720 /nfs/dbraw/zinc/40/97/20/620409720.db2.gz PVINBJUYANGAHR-SJLPKXTDSA-N 1 1 299.418 2.693 20 30 CFEDMO C=CCC[N@H+]1CC[C@]2(NC(=O)c3cc[nH]c3C)CCC[C@@H]12 ZINC000990178440 620411694 /nfs/dbraw/zinc/41/16/94/620411694.db2.gz 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620433917 /nfs/dbraw/zinc/43/39/17/620433917.db2.gz ROAIZOXBJAUFIO-SJORKVTESA-N 1 1 289.423 2.566 20 30 CFEDMO CC(C)[N@H+]1CCC[C@H]1C(=O)OCc1ccc(CC#N)cc1 ZINC000923889729 620442206 /nfs/dbraw/zinc/44/22/06/620442206.db2.gz VRVANZMTLBXSDG-INIZCTEOSA-N 1 1 286.375 2.669 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)OCC1CCC(C#N)CC1 ZINC000923891613 620443803 /nfs/dbraw/zinc/44/38/03/620443803.db2.gz OYCZVZVRYCXIHB-YMAMQOFZSA-N 1 1 278.396 2.732 20 30 CFEDMO C=C1CCC(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000898579225 620476866 /nfs/dbraw/zinc/47/68/66/620476866.db2.gz PJLFCAUZGXREOE-CQSZACIVSA-N 1 1 278.440 2.969 20 30 CFEDMO C=C1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000898706153 620490501 /nfs/dbraw/zinc/49/05/01/620490501.db2.gz TYUFGLHUGWDYKI-HNNXBMFYSA-N 1 1 290.794 2.703 20 30 CFEDMO C=C1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000898706153 620490502 /nfs/dbraw/zinc/49/05/02/620490502.db2.gz TYUFGLHUGWDYKI-HNNXBMFYSA-N 1 1 290.794 2.703 20 30 CFEDMO CCCCCCCC[C@@H]([NH3+])c1nc(COC)no1 ZINC000900003838 620620910 /nfs/dbraw/zinc/62/09/10/620620910.db2.gz RMFIIYZNKFTZHI-LLVKDONJSA-N 1 1 255.362 2.966 20 30 CFEDMO C[C@H]1Cc2cc(C[NH2+]C[C@@H](C#N)CCC#N)ccc2O1 ZINC000901565688 620858949 /nfs/dbraw/zinc/85/89/49/620858949.db2.gz NNUPOPABXIEWJB-GXTWGEPZSA-N 1 1 269.348 2.543 20 30 CFEDMO COc1c(C)c[nH+]c(CN(CCC#N)C(C)C)c1C ZINC000042530601 620963906 /nfs/dbraw/zinc/96/39/06/620963906.db2.gz AANIUVREIJPXJL-UHFFFAOYSA-N 1 1 261.369 2.831 20 30 CFEDMO C=CCCCCC[N@H+](C)CN1C[C@@H]([C@H]2CCCO2)CC1=O ZINC000902155852 620988654 /nfs/dbraw/zinc/98/86/54/620988654.db2.gz BYIOAQLNRXNYFD-JKSUJKDBSA-N 1 1 294.439 2.650 20 30 CFEDMO C=CCOc1ccc(OCCCc2c[nH+]cn2C)cc1 ZINC000902273557 621021124 /nfs/dbraw/zinc/02/11/24/621021124.db2.gz LLAHWIJHLMZJJK-UHFFFAOYSA-N 1 1 272.348 2.997 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H]3CCC(F)(F)C3)CCC[C@H]12 ZINC000990997893 621068687 /nfs/dbraw/zinc/06/86/87/621068687.db2.gz NXTHAUXYGJMRDQ-VNHYZAJKSA-N 1 1 298.377 2.721 20 30 CFEDMO C[C@@H]1C[C@@H]1C(N)=[NH+]OCc1cc(Cl)cc(C#N)c1 ZINC000902479300 621088572 /nfs/dbraw/zinc/08/85/72/621088572.db2.gz XXEZCYGDTYREDW-PELKAZGASA-N 1 1 263.728 2.866 20 30 CFEDMO C[C@H]1C[C@H]1C(N)=[NH+]OCc1cc(Cl)cc(C#N)c1 ZINC000902479303 621088695 /nfs/dbraw/zinc/08/86/95/621088695.db2.gz XXEZCYGDTYREDW-QPUJVOFHSA-N 1 1 263.728 2.866 20 30 CFEDMO CCn1cnc(C[NH2+]Cc2ccc(C#N)c(Cl)c2)c1 ZINC000902536455 621113546 /nfs/dbraw/zinc/11/35/46/621113546.db2.gz HJLBWFSIKDATSY-UHFFFAOYSA-N 1 1 274.755 2.718 20 30 CFEDMO CCC[N@@H+](CCO[C@H](C)C#N)[C@H]1C[C@H](OCC)C1(C)C ZINC000801923094 621139706 /nfs/dbraw/zinc/13/97/06/621139706.db2.gz YVEWAOASLYPEQY-ILXRZTDVSA-N 1 1 282.428 2.831 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+](C)[C@@H]2CC[C@@H]2OC)c1O ZINC000902636514 621140227 /nfs/dbraw/zinc/14/02/27/621140227.db2.gz FKQHDEOLPJRGJZ-CVEARBPZSA-N 1 1 291.391 2.739 20 30 CFEDMO C[C@@H](C#N)OCC[N@@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000801926152 621142122 /nfs/dbraw/zinc/14/21/22/621142122.db2.gz AVYFFYRMEONDPV-WDEREUQCSA-N 1 1 280.318 2.813 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCc2c(F)cc(F)cc2[C@H]1C ZINC000801926152 621142124 /nfs/dbraw/zinc/14/21/24/621142124.db2.gz AVYFFYRMEONDPV-WDEREUQCSA-N 1 1 280.318 2.813 20 30 CFEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1=S ZINC000902650323 621143405 /nfs/dbraw/zinc/14/34/05/621143405.db2.gz NFFOYTRDVOROME-STQMWFEESA-N 1 1 278.425 2.740 20 30 CFEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@@H]3CCC[C@@H]32)c1=S ZINC000902650323 621143407 /nfs/dbraw/zinc/14/34/07/621143407.db2.gz NFFOYTRDVOROME-STQMWFEESA-N 1 1 278.425 2.740 20 30 CFEDMO C=CCCC[N@H+](CC)CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000902668445 621148552 /nfs/dbraw/zinc/14/85/52/621148552.db2.gz ARYUZAVOCDRZRU-JKSUJKDBSA-N 1 1 276.424 2.879 20 30 CFEDMO COc1ccc(C[NH2+][C@H](C)c2cc(C#N)ccn2)cc1F ZINC000902732374 621160294 /nfs/dbraw/zinc/16/02/94/621160294.db2.gz BZUQBGNKPLWXRC-LLVKDONJSA-N 1 1 285.322 2.952 20 30 CFEDMO CC[C@H]1CCCC[N@H+]1CCN[C@@H](C)c1cc(C#N)ccn1 ZINC000902801379 621173528 /nfs/dbraw/zinc/17/35/28/621173528.db2.gz ABWOPEJOYPNRFU-HOCLYGCPSA-N 1 1 286.423 2.868 20 30 CFEDMO CC[C@H]1CCCCN1CC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902801379 621173529 /nfs/dbraw/zinc/17/35/29/621173529.db2.gz ABWOPEJOYPNRFU-HOCLYGCPSA-N 1 1 286.423 2.868 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000801933801 621173614 /nfs/dbraw/zinc/17/36/14/621173614.db2.gz GELZIULNLXHCQY-STQMWFEESA-N 1 1 294.782 2.722 20 30 CFEDMO CC[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000902797443 621180155 /nfs/dbraw/zinc/18/01/55/621180155.db2.gz WDIUZJLVBQPHQU-DOTOQJQBSA-N 1 1 271.408 2.941 20 30 CFEDMO CC[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902830246 621183527 /nfs/dbraw/zinc/18/35/27/621183527.db2.gz MIHAICKLPXBUDW-RHSMWYFYSA-N 1 1 271.408 2.941 20 30 CFEDMO CC[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1cccc(C#N)c1 ZINC000902830246 621183530 /nfs/dbraw/zinc/18/35/30/621183530.db2.gz MIHAICKLPXBUDW-RHSMWYFYSA-N 1 1 271.408 2.941 20 30 CFEDMO CC[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cccc(C#N)c1 ZINC000902841229 621189115 /nfs/dbraw/zinc/18/91/15/621189115.db2.gz NDTCSMPYPQYRNB-CVEARBPZSA-N 1 1 280.375 2.880 20 30 CFEDMO CC[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1cccc(C#N)c1 ZINC000902841232 621189175 /nfs/dbraw/zinc/18/91/75/621189175.db2.gz NDTCSMPYPQYRNB-JKSUJKDBSA-N 1 1 280.375 2.880 20 30 CFEDMO CC[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1cccc(C#N)c1 ZINC000902841231 621189242 /nfs/dbraw/zinc/18/92/42/621189242.db2.gz NDTCSMPYPQYRNB-HZPDHXFCSA-N 1 1 280.375 2.880 20 30 CFEDMO COCC[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1ccco1 ZINC000902944227 621207552 /nfs/dbraw/zinc/20/75/52/621207552.db2.gz DIJZCYHRXQOFCN-TZMCWYRMSA-N 1 1 285.347 2.975 20 30 CFEDMO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cc(C#N)ccn2)cn1 ZINC000903013013 621229409 /nfs/dbraw/zinc/22/94/09/621229409.db2.gz WUSZOQKIQUBHDI-VXGBXAGGSA-N 1 1 269.352 2.581 20 30 CFEDMO CCCn1cc([C@H](C)[NH2+]Cc2ccc(CC#N)cc2)nn1 ZINC000903035393 621230692 /nfs/dbraw/zinc/23/06/92/621230692.db2.gz NYPBARBGTOHQPE-ZDUSSCGKSA-N 1 1 283.379 2.605 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903023957 621233771 /nfs/dbraw/zinc/23/37/71/621233771.db2.gz RPFXUHPRYVJMPP-AWEZNQCLSA-N 1 1 287.411 2.683 20 30 CFEDMO CC(C)[C@@H]([NH2+][C@H](C)c1cccc(C#N)c1)c1nncn1C ZINC000903066774 621239478 /nfs/dbraw/zinc/23/94/78/621239478.db2.gz XFMAJFUUNZRTBA-IUODEOHRSA-N 1 1 283.379 2.735 20 30 CFEDMO C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cc(C#N)ccn1 ZINC000903052292 621242494 /nfs/dbraw/zinc/24/24/94/621242494.db2.gz FJFXCMMJQIHTBD-LBPRGKRZSA-N 1 1 295.390 2.805 20 30 CFEDMO COCCc1nc(C)c([C@H](C)[NH2+]CC(C)(C)C#N)s1 ZINC000903099830 621252955 /nfs/dbraw/zinc/25/29/55/621252955.db2.gz AYULGMIIMHWGEM-JTQLQIEISA-N 1 1 281.425 2.841 20 30 CFEDMO C[C@H]([NH2+]CC1(C#N)CC1)c1ccnn1-c1ccccc1 ZINC000903105965 621255332 /nfs/dbraw/zinc/25/53/32/621255332.db2.gz JQSCAYLDHDRLBE-ZDUSSCGKSA-N 1 1 266.348 2.827 20 30 CFEDMO C=CCC[C@H](NC[C@@H](O)C[NH+](C)C)c1cccc(Cl)c1 ZINC000903091967 621257612 /nfs/dbraw/zinc/25/76/12/621257612.db2.gz DXGWDFQRFCBNLR-CVEARBPZSA-N 1 1 296.842 2.859 20 30 CFEDMO C=CCCCCC[N@@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000183349173 625477941 /nfs/dbraw/zinc/47/79/41/625477941.db2.gz SFNOQKHYKWEJEY-UHFFFAOYSA-N 1 1 266.345 2.735 20 30 CFEDMO C=CCCCCC[N@H+](C)Cn1cc([N+](=O)[O-])c(C)n1 ZINC000183349173 625477946 /nfs/dbraw/zinc/47/79/46/625477946.db2.gz SFNOQKHYKWEJEY-UHFFFAOYSA-N 1 1 266.345 2.735 20 30 CFEDMO N#Cc1csc(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)n1 ZINC000903264621 621304599 /nfs/dbraw/zinc/30/45/99/621304599.db2.gz USVHHLWLTYQTMF-CQSZACIVSA-N 1 1 280.356 2.664 20 30 CFEDMO C[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)c1cncs1 ZINC000903305804 621324864 /nfs/dbraw/zinc/32/48/64/621324864.db2.gz QCULDQKJZNYNBS-NXEZZACHSA-N 1 1 258.350 2.822 20 30 CFEDMO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](c2ncccn2)C2CC2)C1 ZINC000903327762 621339109 /nfs/dbraw/zinc/33/91/09/621339109.db2.gz YLUKBNTUEJXHHJ-KWCYVHTRSA-N 1 1 256.353 2.600 20 30 CFEDMO 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/nfs/dbraw/zinc/53/14/25/624531425.db2.gz IJPSWLONENWAML-CJNGLKHVSA-N 1 1 261.340 2.594 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC000829778810 624533134 /nfs/dbraw/zinc/53/31/34/624533134.db2.gz HNKSGNUUDJAOTN-OLZOCXBDSA-N 1 1 261.369 2.989 20 30 CFEDMO C#CC[C@H]1CCC[N@H+]([C@H](C)c2nc(C(C)C)no2)C1 ZINC000829778810 624533137 /nfs/dbraw/zinc/53/31/37/624533137.db2.gz HNKSGNUUDJAOTN-OLZOCXBDSA-N 1 1 261.369 2.989 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](CCCOCC(F)(F)F)C1 ZINC000829779162 624534726 /nfs/dbraw/zinc/53/47/26/624534726.db2.gz OQZDLRIGVCRNLJ-GFCCVEGCSA-N 1 1 263.303 2.691 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000829779240 624534730 /nfs/dbraw/zinc/53/47/30/624534730.db2.gz PEWDVFDGHOFOMA-ZDUSSCGKSA-N 1 1 288.347 2.839 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](C[C@@H](O)c2c(F)cccc2F)C1 ZINC000829779557 624534812 /nfs/dbraw/zinc/53/48/12/624534812.db2.gz WSEHEFMVXGPYPX-IUODEOHRSA-N 1 1 279.330 2.734 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2ccsc2C(=O)OC)C1 ZINC000829784688 624536441 /nfs/dbraw/zinc/53/64/41/624536441.db2.gz LPDAPPWLBRSLBB-GFCCVEGCSA-N 1 1 277.389 2.770 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C)cc2)C1 ZINC000829785741 624538366 /nfs/dbraw/zinc/53/83/66/624538366.db2.gz YUSINXKTDUXWMY-HNNXBMFYSA-N 1 1 270.376 2.669 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000829803659 624545651 /nfs/dbraw/zinc/54/56/51/624545651.db2.gz AKONIRBHZPLGHH-WBVHZDCISA-N 1 1 296.370 2.508 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+]([C@H](C(=O)OC)c2ccc(C#N)cc2)C1 ZINC000829803659 624545655 /nfs/dbraw/zinc/54/56/55/624545655.db2.gz AKONIRBHZPLGHH-WBVHZDCISA-N 1 1 296.370 2.508 20 30 CFEDMO C=CCOC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000919264118 624550096 /nfs/dbraw/zinc/55/00/96/624550096.db2.gz HGVLCUSGHVNODV-OKILXGFUSA-N 1 1 289.375 2.639 20 30 CFEDMO C=CCOC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000919264118 624550100 /nfs/dbraw/zinc/55/01/00/624550100.db2.gz HGVLCUSGHVNODV-OKILXGFUSA-N 1 1 289.375 2.639 20 30 CFEDMO C=CCOC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000919264117 624550807 /nfs/dbraw/zinc/55/08/07/624550807.db2.gz HGVLCUSGHVNODV-KBPBESRZSA-N 1 1 289.375 2.639 20 30 CFEDMO COc1cccc(O)c1/C=N\CC[N@@H+](C)Cc1ccccc1 ZINC000920175643 624695343 /nfs/dbraw/zinc/69/53/43/624695343.db2.gz ZCWQRQDGTVJUCT-UYRXBGFRSA-N 1 1 298.386 2.952 20 30 CFEDMO C#CC1CC[NH+](Cc2nc(-c3ccccc3C)no2)CC1 ZINC000830300836 624703940 /nfs/dbraw/zinc/70/39/40/624703940.db2.gz BSCFFBMNVJGXEG-UHFFFAOYSA-N 1 1 281.359 2.890 20 30 CFEDMO C#CC1CC[NH+](CC(=O)Nc2ccc(SC)cc2)CC1 ZINC000830333921 624712280 /nfs/dbraw/zinc/71/22/80/624712280.db2.gz PFGCMIMPOHYGFB-UHFFFAOYSA-N 1 1 288.416 2.692 20 30 CFEDMO C#CC1CC[NH+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000830345541 624716286 /nfs/dbraw/zinc/71/62/86/624716286.db2.gz HNSQFCPSBRFRMN-UHFFFAOYSA-N 1 1 292.310 2.588 20 30 CFEDMO C#CC1CC[NH+](Cc2cccc(Br)n2)CC1 ZINC000830352059 624720043 /nfs/dbraw/zinc/72/00/43/624720043.db2.gz ZKWUHUHASMFLAD-UHFFFAOYSA-N 1 1 279.181 2.689 20 30 CFEDMO C#CCC[N@H+](CCC)C[C@H]1COc2ccccc2O1 ZINC000920416184 624721034 /nfs/dbraw/zinc/72/10/34/624721034.db2.gz UCIMZQWKXNZWHA-AWEZNQCLSA-N 1 1 259.349 2.562 20 30 CFEDMO CC#CC(=O)N(C)C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000920577627 624742984 /nfs/dbraw/zinc/74/29/84/624742984.db2.gz OVHNPBBJRCBPBH-KRWDZBQOSA-N 1 1 284.403 2.523 20 30 CFEDMO C=CCSc1nc2ccccc2n1C[N@H+](C)CCOC ZINC000921047186 624804384 /nfs/dbraw/zinc/80/43/84/624804384.db2.gz TXHFMAKCFYYUNA-UHFFFAOYSA-N 1 1 291.420 2.850 20 30 CFEDMO Brc1cnn([NH+]=C2CCCC23CC3)c1 ZINC000853324303 634969271 /nfs/dbraw/zinc/96/92/71/634969271.db2.gz BFAUXNHMYHSSIB-UHFFFAOYSA-N 1 1 254.131 2.814 20 30 CFEDMO CCCCCCCCC[N@@H+](C)[C@@H]1CCS(=O)(=O)C1 ZINC000170836073 624935235 /nfs/dbraw/zinc/93/52/35/624935235.db2.gz XFLWIMQKIRENAH-CQSZACIVSA-N 1 1 275.458 2.856 20 30 CFEDMO C[N@@H+](Cc1ccc(OCC#N)cc1)Cc1ccccn1 ZINC000831027932 624954246 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Cc1cc(C#N)cc(C)c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000921551123 625985054 /nfs/dbraw/zinc/98/50/54/625985054.db2.gz ZOKWJNDGUZTXGB-DLBZAZTESA-N 1 1 283.419 2.892 20 30 CFEDMO Cc1cc(C#N)cc(C)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000921551123 625985057 /nfs/dbraw/zinc/98/50/57/625985057.db2.gz ZOKWJNDGUZTXGB-DLBZAZTESA-N 1 1 283.419 2.892 20 30 CFEDMO C=C(Cl)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC23CC3)CC1 ZINC000997319775 625987390 /nfs/dbraw/zinc/98/73/90/625987390.db2.gz JDPAYJMZHYKBET-OCCSQVGLSA-N 1 1 296.842 2.756 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](N(CC)C(=O)c2ccoc2)CC1 ZINC000997926219 626023510 /nfs/dbraw/zinc/02/35/10/626023510.db2.gz HQUOUDPCJUGREZ-HNNXBMFYSA-N 1 1 276.380 2.782 20 30 CFEDMO C=CC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cncs2)CC1 ZINC000997940249 626023962 /nfs/dbraw/zinc/02/39/62/626023962.db2.gz MIPPJDVXQRWKEG-CYBMUJFWSA-N 1 1 293.436 2.646 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H](N(CC)C(=O)c2cocn2)CC1 ZINC000997967434 626025413 /nfs/dbraw/zinc/02/54/13/626025413.db2.gz 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PIPCVJZYOOESMX-OAHLLOKOSA-N 1 1 266.429 2.971 20 30 CFEDMO C#C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000807879354 630917384 /nfs/dbraw/zinc/91/73/84/630917384.db2.gz ASFOIQYUXPEGCJ-WMLDXEAASA-N 1 1 298.430 2.597 20 30 CFEDMO C#C[C@@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000807879354 630917388 /nfs/dbraw/zinc/91/73/88/630917388.db2.gz ASFOIQYUXPEGCJ-WMLDXEAASA-N 1 1 298.430 2.597 20 30 CFEDMO CCc1cccc(C)c1N[NH+]=Cc1ccc(N)nc1 ZINC000807987974 630931180 /nfs/dbraw/zinc/93/11/80/630931180.db2.gz NXPANUGYLFYPSM-UHFFFAOYSA-N 1 1 254.337 2.981 20 30 CFEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1CC(C)(C)CC1=O ZINC000808145326 630957889 /nfs/dbraw/zinc/95/78/89/630957889.db2.gz NVGRBQBAWGHOCN-UHFFFAOYSA-N 1 1 299.418 2.985 20 30 CFEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1CC(C)(C)CC1=O ZINC000808145326 630957893 /nfs/dbraw/zinc/95/78/93/630957893.db2.gz NVGRBQBAWGHOCN-UHFFFAOYSA-N 1 1 299.418 2.985 20 30 CFEDMO C#C[C@H](NC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)C(C)(C)C ZINC000808219153 630968282 /nfs/dbraw/zinc/96/82/82/630968282.db2.gz RYXPNIKHHKWRBZ-KKUMJFAQSA-N 1 1 293.455 2.596 20 30 CFEDMO C#CCC1(C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CCCCC1 ZINC000837192487 630973049 /nfs/dbraw/zinc/97/30/49/630973049.db2.gz QWWPLJIZSVSHAK-MRXNPFEDSA-N 1 1 290.451 2.901 20 30 CFEDMO CC(C)[N@H+]1CCCC[C@H]1COC(=O)c1cccc(C#N)c1 ZINC000837329430 631000754 /nfs/dbraw/zinc/00/07/54/631000754.db2.gz MDKQCPVGNXOMKE-INIZCTEOSA-N 1 1 286.375 2.978 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C#CC(C)(C)C ZINC000837344274 631007760 /nfs/dbraw/zinc/00/77/60/631007760.db2.gz FBACLCSTSZKDJG-OAHLLOKOSA-N 1 1 278.440 2.807 20 30 CFEDMO C[C@@H](NC(=O)C#CC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000837521059 631053907 /nfs/dbraw/zinc/05/39/07/631053907.db2.gz UHKBTKVQAJHFLP-CABCVRRESA-N 1 1 290.451 2.805 20 30 CFEDMO CCc1ccc([C@H]2CN(C(=O)C#CC(C)(C)C)CC[NH2+]2)cc1 ZINC000837601986 631082859 /nfs/dbraw/zinc/08/28/59/631082859.db2.gz KCRKNHCPTVAGPH-QGZVFWFLSA-N 1 1 298.430 2.771 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cc2n(n1)CCC2 ZINC000840712315 631175888 /nfs/dbraw/zinc/17/58/88/631175888.db2.gz APUVPWNAMPPFFU-LBPRGKRZSA-N 1 1 266.348 2.552 20 30 CFEDMO Cc1cc(C(=O)/C=C\c2c[nH+]c(N(C)C)n2C)oc1C ZINC000840720482 631176787 /nfs/dbraw/zinc/17/67/87/631176787.db2.gz OYRQTSRGEUMZJU-SREVYHEPSA-N 1 1 273.336 2.592 20 30 CFEDMO C#Cc1ccc(C[N@H+](CCO)C2CCCCC2)cc1 ZINC000809538582 631230327 /nfs/dbraw/zinc/23/03/27/631230327.db2.gz HDARYIKEOFADEG-UHFFFAOYSA-N 1 1 257.377 2.795 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N(CC)CC)cc1 ZINC000809552566 631233642 /nfs/dbraw/zinc/23/36/42/631233642.db2.gz NJNSMAAXDSDKLP-QGZVFWFLSA-N 1 1 284.403 2.501 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000809595796 631243230 /nfs/dbraw/zinc/24/32/30/631243230.db2.gz QOCJRPFXZUDIFC-MSOLQXFVSA-N 1 1 269.388 2.916 20 30 CFEDMO C#Cc1ccc(CN[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000809606004 631244886 /nfs/dbraw/zinc/24/48/86/631244886.db2.gz RNKHLAUXLCHQRL-OAHLLOKOSA-N 1 1 256.393 2.632 20 30 CFEDMO C#Cc1ccc(CNC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000809606253 631245056 /nfs/dbraw/zinc/24/50/56/631245056.db2.gz OATXIIPLLTZBAY-CVEARBPZSA-N 1 1 270.420 2.878 20 30 CFEDMO C#Cc1ccc(CNC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000809606253 631245058 /nfs/dbraw/zinc/24/50/58/631245058.db2.gz OATXIIPLLTZBAY-CVEARBPZSA-N 1 1 270.420 2.878 20 30 CFEDMO C#Cc1ccc(C[NH2+]Cc2cn(-c3ccccc3)nn2)cc1 ZINC000809633736 631252375 /nfs/dbraw/zinc/25/23/75/631252375.db2.gz JOKDLYYZFIIZQJ-UHFFFAOYSA-N 1 1 288.354 2.538 20 30 CFEDMO Cc1ccncc1CCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000809638342 631252733 /nfs/dbraw/zinc/25/27/33/631252733.db2.gz GVAJKVKPIBDANA-INIZCTEOSA-N 1 1 257.381 2.948 20 30 CFEDMO Cc1ccncc1CCC[N@H+]1CCC[C@@](C)(C#N)C1 ZINC000809638342 631252735 /nfs/dbraw/zinc/25/27/35/631252735.db2.gz GVAJKVKPIBDANA-INIZCTEOSA-N 1 1 257.381 2.948 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1 ZINC000809656821 631258101 /nfs/dbraw/zinc/25/81/01/631258101.db2.gz LLZPVNOXALSEET-DYVFJYSZSA-N 1 1 255.361 2.667 20 30 CFEDMO CN(CCC#N)c1ccc(C[N@@H+](C)[C@@H]2CCCOC2)cc1 ZINC000809692601 631265714 /nfs/dbraw/zinc/26/57/14/631265714.db2.gz BHBLLGFAAUTHFY-QGZVFWFLSA-N 1 1 287.407 2.647 20 30 CFEDMO C=C(C)C[N@H+](Cc1ccc(CO)o1)C[C@H]1CCC=CO1 ZINC000809702854 631268424 /nfs/dbraw/zinc/26/84/24/631268424.db2.gz ZKCBGCBJYYMCOE-CQSZACIVSA-N 1 1 277.364 2.843 20 30 CFEDMO C#CCCOc1ccc(CN(C)CC[N@@H+](C)C2CC2)cc1 ZINC000809754188 631281162 /nfs/dbraw/zinc/28/11/62/631281162.db2.gz FHYLCVVGLFKBGS-UHFFFAOYSA-N 1 1 286.419 2.615 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+](C)CCN(C)C2CC2)cc1 ZINC000809754188 631281168 /nfs/dbraw/zinc/28/11/68/631281168.db2.gz FHYLCVVGLFKBGS-UHFFFAOYSA-N 1 1 286.419 2.615 20 30 CFEDMO C#CCCOc1ccc(C[N@H+](C)CCN(C)C2CC2)cc1 ZINC000809754188 631281173 /nfs/dbraw/zinc/28/11/73/631281173.db2.gz FHYLCVVGLFKBGS-UHFFFAOYSA-N 1 1 286.419 2.615 20 30 CFEDMO C#CCOc1ccccc1C[N@H+](C)C1CC(OCC)C1 ZINC000809774642 631286357 /nfs/dbraw/zinc/28/63/57/631286357.db2.gz VSZJPEFZPULMEL-UHFFFAOYSA-N 1 1 273.376 2.698 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1c(OC)cc(OC)cc1OC)C(C)(C)C ZINC000809781686 631288283 /nfs/dbraw/zinc/28/82/83/631288283.db2.gz XQBGILBUTHIHMA-MRXNPFEDSA-N 1 1 291.391 2.850 20 30 CFEDMO C=CCn1c(C)nn(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1=S ZINC000840189626 631301124 /nfs/dbraw/zinc/30/11/24/631301124.db2.gz RMUGZYAQGKEHMV-CQSZACIVSA-N 1 1 292.452 2.988 20 30 CFEDMO C=CCn1c(C)nn(C[N@H+]2CC[C@@H](C3CCC3)C2)c1=S ZINC000840189626 631301130 /nfs/dbraw/zinc/30/11/30/631301130.db2.gz RMUGZYAQGKEHMV-CQSZACIVSA-N 1 1 292.452 2.988 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H]1COC(=O)NC1CC1 ZINC000810038120 631317612 /nfs/dbraw/zinc/31/76/12/631317612.db2.gz LYEXQLVNMXSAQE-CQSZACIVSA-N 1 1 266.385 2.696 20 30 CFEDMO C[C@H]([NH2+]Cc1nc(C#N)cs1)c1ccc2c(c1)CCO2 ZINC000810138245 631330944 /nfs/dbraw/zinc/33/09/44/631330944.db2.gz NCNHMHSYGSXUII-JTQLQIEISA-N 1 1 285.372 2.800 20 30 CFEDMO C[C@@H]([NH2+]Cc1nc(C#N)cs1)c1ccc(OCC#N)cc1 ZINC000810143685 631333208 /nfs/dbraw/zinc/33/32/08/631333208.db2.gz LFKGQXKGKWJMFS-LLVKDONJSA-N 1 1 298.371 2.768 20 30 CFEDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nc(C#N)cs1 ZINC000810146674 631334581 /nfs/dbraw/zinc/33/45/81/631334581.db2.gz UUGQUNOYXBJEOG-UHFFFAOYSA-N 1 1 286.404 2.679 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000810152884 631335559 /nfs/dbraw/zinc/33/55/59/631335559.db2.gz FXRPUGZMDZKCFO-ZIAGYGMSSA-N 1 1 299.292 2.681 20 30 CFEDMO Cc1nc2c(s1)[C@H]([NH2+]Cc1nc(C#N)cs1)CCC2 ZINC000810151651 631336095 /nfs/dbraw/zinc/33/60/95/631336095.db2.gz MDXDOBMQPZQJRN-SNVBAGLBSA-N 1 1 290.417 2.947 20 30 CFEDMO CC(C)[N@@H+](C)C[C@@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000810172255 631339093 /nfs/dbraw/zinc/33/90/93/631339093.db2.gz FSLDCLKETITBEB-CABCVRRESA-N 1 1 289.423 2.796 20 30 CFEDMO CC(C)[N@H+](C)C[C@@H](C)NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000810172255 631339099 /nfs/dbraw/zinc/33/90/99/631339099.db2.gz FSLDCLKETITBEB-CABCVRRESA-N 1 1 289.423 2.796 20 30 CFEDMO C#Cc1ccccc1CC(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000810401352 631368882 /nfs/dbraw/zinc/36/88/82/631368882.db2.gz QKPGCXQLIRBPMF-SFHVURJKSA-N 1 1 298.430 2.591 20 30 CFEDMO C#CCCCCCC(=O)O[C@@H](C)Cn1cc[nH+]c1C ZINC000810612903 631403156 /nfs/dbraw/zinc/40/31/56/631403156.db2.gz XIRRLEYPVVBZBZ-ZDUSSCGKSA-N 1 1 262.353 2.707 20 30 CFEDMO C=CCC(CC=C)C(=O)O[C@@H](C)Cn1cc[nH+]c1C ZINC000810613337 631404567 /nfs/dbraw/zinc/40/45/67/631404567.db2.gz QGBZQRASZLILKT-LBPRGKRZSA-N 1 1 262.353 2.892 20 30 CFEDMO Cc1cccc2c1C(=O)/C(=C/c1c[nH+]c(N(C)C)n1C)C2 ZINC000841488047 631416560 /nfs/dbraw/zinc/41/65/60/631416560.db2.gz GFXIWUFMRXCGLA-UKTHLTGXSA-N 1 1 281.359 2.617 20 30 CFEDMO C1=C([C@@H]2CCCCC2N=NC2=[NH+]CCN2)CCCC1 ZINC000841658532 631445596 /nfs/dbraw/zinc/44/55/96/631445596.db2.gz ANGSPEJIQALZNP-ZDUSSCGKSA-N 1 1 260.385 2.582 20 30 CFEDMO c1ccc(CC(N=NC2=[NH+]CCN2)C2CCCCC2)cc1 ZINC000841658674 631446498 /nfs/dbraw/zinc/44/64/98/631446498.db2.gz HHOQQQFDGULNCW-UHFFFAOYSA-N 1 1 284.407 2.714 20 30 CFEDMO C=C(C)[C@H](CC(=O)O[C@@H]1CC[N@H+]2CCC[C@H]2C1)OCC ZINC000810838561 631452629 /nfs/dbraw/zinc/45/26/29/631452629.db2.gz QOHJDCYDKNSMTD-ZNMIVQPWSA-N 1 1 281.396 2.528 20 30 CFEDMO Cc1ccc(C(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C#N ZINC000810842503 631455008 /nfs/dbraw/zinc/45/50/08/631455008.db2.gz SEWHHDAHNBZXAE-HOTGVXAUSA-N 1 1 284.359 2.650 20 30 CFEDMO C#CCCOc1ccc(C[N@H+](C)CCCCOC)cc1 ZINC000841893542 631488681 /nfs/dbraw/zinc/48/86/81/631488681.db2.gz GNUHIWOYONSJBT-UHFFFAOYSA-N 1 1 275.392 2.947 20 30 CFEDMO C[N@@H+](CCON=C(N)c1cccs1)Cc1ccccc1 ZINC000842019825 631501369 /nfs/dbraw/zinc/50/13/69/631501369.db2.gz ZXFDOKBCGKRNLY-UHFFFAOYSA-N 1 1 289.404 2.517 20 30 CFEDMO C[C@@H](c1cccnc1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842153492 631555213 /nfs/dbraw/zinc/55/52/13/631555213.db2.gz NWUUHGUWFYIUBU-GUYCJALGSA-N 1 1 281.359 2.680 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000811496450 631571900 /nfs/dbraw/zinc/57/19/00/631571900.db2.gz XHLPAAWXIHZGCK-ZIAGYGMSSA-N 1 1 282.428 2.879 20 30 CFEDMO CC[N@H+]1CCC(=NN[C@@H](C)COc2ccccc2)[C@@H](C)C1 ZINC000811666544 631602194 /nfs/dbraw/zinc/60/21/94/631602194.db2.gz GRPPWSQKYPKSNV-GJZGRUSLSA-N 1 1 289.423 2.761 20 30 CFEDMO C=C(C)C[N@H+](C)CN1C[C@@](C)(Cc2ccccc2)CC1=O ZINC000842599145 631677457 /nfs/dbraw/zinc/67/74/57/631677457.db2.gz ALNAOKRCZVAILL-SFHVURJKSA-N 1 1 286.419 2.933 20 30 CFEDMO C=C(C)C[N@@H+](C)CN1C[C@@](C)(Cc2ccccc2)CC1=O ZINC000842599145 631677460 /nfs/dbraw/zinc/67/74/60/631677460.db2.gz ALNAOKRCZVAILL-SFHVURJKSA-N 1 1 286.419 2.933 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@@](C)(Cc2ccccc2)CC1=O ZINC000842604180 631678508 /nfs/dbraw/zinc/67/85/08/631678508.db2.gz YYRACIYAQNSSCV-SFHVURJKSA-N 1 1 286.419 2.933 20 30 CFEDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)C1 ZINC000155427268 650020690 /nfs/dbraw/zinc/02/06/90/650020690.db2.gz KRNBJHNIIYDFKS-YOEHRIQHSA-N 1 1 288.391 2.978 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](CN2C[C@H](CC(C)(C)C)CC2=O)C1 ZINC000842628811 631685367 /nfs/dbraw/zinc/68/53/67/631685367.db2.gz GWFPOQONLGYMBS-CVEARBPZSA-N 1 1 290.451 2.964 20 30 CFEDMO CC[N@@H+](C[C@H](C)OC)Cn1ccc(-c2ccc(C#N)cc2)n1 ZINC000812303333 631686801 /nfs/dbraw/zinc/68/68/01/631686801.db2.gz OTSFMYSAGHJDMT-AWEZNQCLSA-N 1 1 298.390 2.736 20 30 CFEDMO C#C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000812353940 631695077 /nfs/dbraw/zinc/69/50/77/631695077.db2.gz CVLBPXCTHMFQNP-GJZGRUSLSA-N 1 1 290.794 2.615 20 30 CFEDMO C=CCN(C(=O)N[C@@H](C)C[N@H+](CC)CCC)C(C)C ZINC000812700748 631760297 /nfs/dbraw/zinc/76/02/97/631760297.db2.gz RIMYJHVWEIKFHW-AWEZNQCLSA-N 1 1 269.433 2.713 20 30 CFEDMO CC1(C)[C@@H](O)CC[N@H+]1Cc1cc(Cl)ccc1OCC#N ZINC000812869412 631799335 /nfs/dbraw/zinc/79/93/35/631799335.db2.gz ZMGCJSSYNHTYNC-AWEZNQCLSA-N 1 1 294.782 2.588 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000813338931 631908696 /nfs/dbraw/zinc/90/86/96/631908696.db2.gz VNRMLEXJUJYQGW-ZIAGYGMSSA-N 1 1 295.427 2.915 20 30 CFEDMO Cc1ccc(-c2nn(C)cc2C[NH+]2CCC(C#N)CC2)o1 ZINC000843393337 631943176 /nfs/dbraw/zinc/94/31/76/631943176.db2.gz ZGVDHEXMVPKQEM-UHFFFAOYSA-N 1 1 284.363 2.724 20 30 CFEDMO C#C[C@H](C)[N@H+](C)Cc1cnn(-c2ccccc2C)c1 ZINC000843406264 631946364 /nfs/dbraw/zinc/94/63/64/631946364.db2.gz MVWQMQLFDSUMFN-AWEZNQCLSA-N 1 1 253.349 2.634 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1cnn(-c2ccccc2C)c1 ZINC000843406264 631946369 /nfs/dbraw/zinc/94/63/69/631946369.db2.gz MVWQMQLFDSUMFN-AWEZNQCLSA-N 1 1 253.349 2.634 20 30 CFEDMO C#C[C@H](C)N[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843408530 631946874 /nfs/dbraw/zinc/94/68/74/631946874.db2.gz GXLHNYKENUKMAS-DOTOQJQBSA-N 1 1 268.404 2.795 20 30 CFEDMO C#C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000843408530 631946876 /nfs/dbraw/zinc/94/68/76/631946876.db2.gz GXLHNYKENUKMAS-DOTOQJQBSA-N 1 1 268.404 2.795 20 30 CFEDMO C#C[C@H](CC)[NH2+]Cc1cc(Br)cnc1Cl ZINC000843409148 631946977 /nfs/dbraw/zinc/94/69/77/631946977.db2.gz PJHXVCMNQQBSHA-SNVBAGLBSA-N 1 1 287.588 2.999 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000843423311 631952270 /nfs/dbraw/zinc/95/22/70/631952270.db2.gz CFCQMPJDUYAYKP-CYBMUJFWSA-N 1 1 287.359 2.659 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2ccccc2N2CCOCC2)C1 ZINC000843423573 631952317 /nfs/dbraw/zinc/95/23/17/631952317.db2.gz GIKKQGMZDPKNMG-QGZVFWFLSA-N 1 1 298.430 2.759 20 30 CFEDMO C#Cc1ccc(C[N@H+](C)C[C@@]2(O)CCc3ccccc32)cc1 ZINC000843422539 631952426 /nfs/dbraw/zinc/95/24/26/631952426.db2.gz XWVKTQZBEPPQKJ-FQEVSTJZSA-N 1 1 291.394 2.934 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000843424544 631953455 /nfs/dbraw/zinc/95/34/55/631953455.db2.gz VVEKGLJGUFFAAG-ZDUSSCGKSA-N 1 1 259.397 2.943 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000843435135 631959522 /nfs/dbraw/zinc/95/95/22/631959522.db2.gz IJMKYCFFYXCLKO-HNNXBMFYSA-N 1 1 285.387 2.842 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000843435135 631959524 /nfs/dbraw/zinc/95/95/24/631959524.db2.gz IJMKYCFFYXCLKO-HNNXBMFYSA-N 1 1 285.387 2.842 20 30 CFEDMO C#CC1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000843708401 632035368 /nfs/dbraw/zinc/03/53/68/632035368.db2.gz ZPCAXGPHEZTFMQ-SFHVURJKSA-N 1 1 296.414 2.523 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC1=NOCC1CC1 ZINC000814243016 632043750 /nfs/dbraw/zinc/04/37/50/632043750.db2.gz AWWLDLVRMNJAGS-ZDUSSCGKSA-N 1 1 258.365 2.921 20 30 CFEDMO C#Cc1ccc(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)cc1 ZINC000843898467 632075092 /nfs/dbraw/zinc/07/50/92/632075092.db2.gz QFUGXSFAPXTJND-AWEZNQCLSA-N 1 1 295.386 2.694 20 30 CFEDMO C#C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1 ZINC000843967593 632086447 /nfs/dbraw/zinc/08/64/47/632086447.db2.gz OBBPPAHVOKIGLT-MSOLQXFVSA-N 1 1 296.414 2.884 20 30 CFEDMO C#CC[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000844004403 632093660 /nfs/dbraw/zinc/09/36/60/632093660.db2.gz AWNXLPMRRYZMRC-MRXNPFEDSA-N 1 1 290.451 2.903 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000814643875 632102588 /nfs/dbraw/zinc/10/25/88/632102588.db2.gz TXVJMFFZGNAMEK-HOCLYGCPSA-N 1 1 258.365 2.795 20 30 CFEDMO COc1ccc(O)c(/C=N/CCC[N@@H+](C)CC(C)C)c1 ZINC000844272129 632150697 /nfs/dbraw/zinc/15/06/97/632150697.db2.gz VHEMPRUOSOUEEM-GZTJUZNOSA-N 1 1 278.396 2.798 20 30 CFEDMO C[C@H]1C(N=Nc2ccncc2)CCC[N@H+]1Cc1ccccc1 ZINC000814899636 632154746 /nfs/dbraw/zinc/15/47/46/632154746.db2.gz GHFBGKMUELVSPV-HNNXBMFYSA-N 1 1 294.402 2.956 20 30 CFEDMO CC1(C)CC(=NNc2cc[nH+]cc2)c2ccc(O)cc2O1 ZINC000814899941 632155295 /nfs/dbraw/zinc/15/52/95/632155295.db2.gz WKZJTOKOODZAEG-UHFFFAOYSA-N 1 1 283.331 2.586 20 30 CFEDMO FC(F)(F)CN[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814904733 632157440 /nfs/dbraw/zinc/15/74/40/632157440.db2.gz WUOBDWJGZBIXBN-QMMMGPOBSA-N 1 1 269.270 2.846 20 30 CFEDMO CC(=[NH+]N[C@H]1CCOC(C)(C)C1)c1cc(F)c(N)c(F)c1 ZINC000814909184 632159866 /nfs/dbraw/zinc/15/98/66/632159866.db2.gz FCEZLPGBKSEECY-NSHDSACASA-N 1 1 297.349 2.818 20 30 CFEDMO C[C@@H]1C(N=Nc2cnn(C)c2)CCC[N@H+]1Cc1ccccc1 ZINC000814915371 632163295 /nfs/dbraw/zinc/16/32/95/632163295.db2.gz URYWKODDYXHJII-CQSZACIVSA-N 1 1 297.406 2.873 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CNC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000105487796 632166546 /nfs/dbraw/zinc/16/65/46/632166546.db2.gz WPWUACRDXXGFAQ-UONOGXRCSA-N 1 1 287.407 2.550 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CNC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000105487796 632166547 /nfs/dbraw/zinc/16/65/47/632166547.db2.gz WPWUACRDXXGFAQ-UONOGXRCSA-N 1 1 287.407 2.550 20 30 CFEDMO CC(=[NH+]N[C@H]1CCSC1)c1ccc(Cl)c(N)c1 ZINC000814933255 632170909 /nfs/dbraw/zinc/17/09/09/632170909.db2.gz JDTJJCOWKYNJGU-JTQLQIEISA-N 1 1 269.801 2.741 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844342902 632174959 /nfs/dbraw/zinc/17/49/59/632174959.db2.gz LFSOKBFSPBGICI-MLGOLLRUSA-N 1 1 299.374 2.534 20 30 CFEDMO C[C@@H]1C[N@H+](C)CC1N=Nc1nnc(-c2ccccc2)s1 ZINC000814948700 632178696 /nfs/dbraw/zinc/17/86/96/632178696.db2.gz AUILYDQCHGKWLS-SNVBAGLBSA-N 1 1 287.392 2.555 20 30 CFEDMO C[C@@H]1C[N@@H+](C)CC1N=Nc1nnc(-c2ccccc2)s1 ZINC000814948700 632178704 /nfs/dbraw/zinc/17/87/04/632178704.db2.gz AUILYDQCHGKWLS-SNVBAGLBSA-N 1 1 287.392 2.555 20 30 CFEDMO CCc1nc(C)c(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)o1 ZINC000844371718 632183380 /nfs/dbraw/zinc/18/33/80/632183380.db2.gz QYAFCNKQUBCTMX-HNNXBMFYSA-N 1 1 299.374 2.583 20 30 CFEDMO C#CCNC(=O)CC[N@@H+](Cc1cccc(Cl)c1)C(C)C ZINC000815019150 632188561 /nfs/dbraw/zinc/18/85/61/632188561.db2.gz DGPRZICEVJLLGU-UHFFFAOYSA-N 1 1 292.810 2.690 20 30 CFEDMO C#CCNC(=O)CC[N@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000815029261 632189755 /nfs/dbraw/zinc/18/97/55/632189755.db2.gz PSRZWQWOPXLWPZ-MRXNPFEDSA-N 1 1 276.424 2.561 20 30 CFEDMO C[C@H]1CCC[N@H+](CCC#N)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844398425 632194672 /nfs/dbraw/zinc/19/46/72/632194672.db2.gz UAHDTGPCHDRICY-UONOGXRCSA-N 1 1 295.427 2.915 20 30 CFEDMO C[C@H]1CCC[N@@H+](CCC#N)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844398425 632194674 /nfs/dbraw/zinc/19/46/74/632194674.db2.gz UAHDTGPCHDRICY-UONOGXRCSA-N 1 1 295.427 2.915 20 30 CFEDMO N#CCCOCC[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000815072628 632194912 /nfs/dbraw/zinc/19/49/12/632194912.db2.gz PMPIEJXDVOLLMP-ZDUSSCGKSA-N 1 1 292.404 2.716 20 30 CFEDMO C=C(Cl)C[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399817 632195331 /nfs/dbraw/zinc/19/53/31/632195331.db2.gz PHPMWDRKIVXLDK-UHFFFAOYSA-N 1 1 268.788 2.816 20 30 CFEDMO C=C(Cl)C[N@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844399817 632195335 /nfs/dbraw/zinc/19/53/35/632195335.db2.gz PHPMWDRKIVXLDK-UHFFFAOYSA-N 1 1 268.788 2.816 20 30 CFEDMO CC[N@@H+](Cc1ccc(OCC#N)cc1)[C@H]1CCCOC1 ZINC000844403536 632195994 /nfs/dbraw/zinc/19/59/94/632195994.db2.gz GGHACSSEKMXEHX-HNNXBMFYSA-N 1 1 274.364 2.590 20 30 CFEDMO C=CCC(F)(F)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000815096884 632200142 /nfs/dbraw/zinc/20/01/42/632200142.db2.gz JQFPMWABABIWPQ-GFCCVEGCSA-N 1 1 288.382 2.825 20 30 CFEDMO C=CCC(F)(F)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000815101206 632202579 /nfs/dbraw/zinc/20/25/79/632202579.db2.gz QNCFKHHWNXHOSA-XQQFMLRXSA-N 1 1 288.382 2.680 20 30 CFEDMO C=CCC(F)(F)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000815123003 632207076 /nfs/dbraw/zinc/20/70/76/632207076.db2.gz VWIQQWRXSORFHD-UHFFFAOYSA-N 1 1 274.355 2.579 20 30 CFEDMO CCCCCCCC[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000815142737 632215897 /nfs/dbraw/zinc/21/58/97/632215897.db2.gz ZBMXVJYGMIPFBZ-MRXNPFEDSA-N 1 1 294.443 2.768 20 30 CFEDMO CC#CC[N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000815282678 632243596 /nfs/dbraw/zinc/24/35/96/632243596.db2.gz CTPFLXKVZPJVHU-CYBMUJFWSA-N 1 1 272.175 2.982 20 30 CFEDMO C=C[C@@H](C)ON=C1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000844623124 632266867 /nfs/dbraw/zinc/26/68/67/632266867.db2.gz FGCLMCRKVASDMY-ZIAGYGMSSA-N 1 1 273.380 2.871 20 30 CFEDMO N#CC1(COC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000815443791 632274693 /nfs/dbraw/zinc/27/46/93/632274693.db2.gz KAGNGZZAZUWWLS-AWEZNQCLSA-N 1 1 276.380 2.630 20 30 CFEDMO CCCC(N)=[NH+]OCc1cccc(OC(F)F)c1 ZINC000105605944 632300841 /nfs/dbraw/zinc/30/08/41/632300841.db2.gz MHHIMERDQGFSNP-UHFFFAOYSA-N 1 1 258.268 2.877 20 30 CFEDMO C#CCCCC(=O)NCCC[N@H+](CC)C1CCCCC1 ZINC000844777535 632305665 /nfs/dbraw/zinc/30/56/65/632305665.db2.gz OKZSPOXFYGPTLU-UHFFFAOYSA-N 1 1 278.440 2.951 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@@H](CC)c1cc(F)ccc1F ZINC000815652745 632306860 /nfs/dbraw/zinc/30/68/60/632306860.db2.gz QBQVMJOCQPPDMB-INIZCTEOSA-N 1 1 280.362 2.961 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@@H](CC)c1cc(F)ccc1F ZINC000815652745 632306863 /nfs/dbraw/zinc/30/68/63/632306863.db2.gz QBQVMJOCQPPDMB-INIZCTEOSA-N 1 1 280.362 2.961 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@@H](C)c1cc(Cl)ccc1OC ZINC000815652446 632306879 /nfs/dbraw/zinc/30/68/79/632306879.db2.gz CQHYQKARJORBCU-ZDUSSCGKSA-N 1 1 294.826 2.954 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1cc(Cl)ccc1OC ZINC000815652446 632306882 /nfs/dbraw/zinc/30/68/82/632306882.db2.gz CQHYQKARJORBCU-ZDUSSCGKSA-N 1 1 294.826 2.954 20 30 CFEDMO C#CCN(C(=O)NCCC[N@H+](C)CC(C)C)C1CCCC1 ZINC000845311099 632408510 /nfs/dbraw/zinc/40/85/10/632408510.db2.gz SSWFWTCYTQSSND-UHFFFAOYSA-N 1 1 293.455 2.552 20 30 CFEDMO CC(C)C[N@H+](CCC#N)Cc1ccc2c(c1)oc(=O)n2C ZINC000816481140 632467568 /nfs/dbraw/zinc/46/75/68/632467568.db2.gz KIQCKELZQYQHDY-UHFFFAOYSA-N 1 1 287.363 2.503 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)Cc1ccc2c(c1)oc(=O)n2C ZINC000816481140 632467569 /nfs/dbraw/zinc/46/75/69/632467569.db2.gz KIQCKELZQYQHDY-UHFFFAOYSA-N 1 1 287.363 2.503 20 30 CFEDMO C=C[C@@H](C)ONC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000845641187 632500373 /nfs/dbraw/zinc/50/03/73/632500373.db2.gz YZTSSVWZHRFUJA-CQSZACIVSA-N 1 1 297.443 2.646 20 30 CFEDMO C#Cc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000816643273 632501211 /nfs/dbraw/zinc/50/12/11/632501211.db2.gz ZWEVMFUNKDFJLC-GOSISDBHSA-N 1 1 268.404 2.586 20 30 CFEDMO C#Cc1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000816643273 632501214 /nfs/dbraw/zinc/50/12/14/632501214.db2.gz ZWEVMFUNKDFJLC-GOSISDBHSA-N 1 1 268.404 2.586 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000816643273 632501219 /nfs/dbraw/zinc/50/12/19/632501219.db2.gz ZWEVMFUNKDFJLC-GOSISDBHSA-N 1 1 268.404 2.586 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3)cc1 ZINC000816643273 632501223 /nfs/dbraw/zinc/50/12/23/632501223.db2.gz ZWEVMFUNKDFJLC-GOSISDBHSA-N 1 1 268.404 2.586 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)CCC#N)cc2)[C@H]1C ZINC000816649362 632504050 /nfs/dbraw/zinc/50/40/50/632504050.db2.gz YBTJCKQQSSXZLB-KBPBESRZSA-N 1 1 257.381 2.877 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1 ZINC000816653043 632504759 /nfs/dbraw/zinc/50/47/59/632504759.db2.gz CVNWEXVPUOSWIR-QLFBSQMISA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)cc1 ZINC000816653043 632504763 /nfs/dbraw/zinc/50/47/63/632504763.db2.gz CVNWEXVPUOSWIR-QLFBSQMISA-N 1 1 287.407 2.502 20 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DWKBUZLRJZEICT-UHFFFAOYSA-N 1 1 289.375 2.528 20 30 CFEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000817298318 632599106 /nfs/dbraw/zinc/59/91/06/632599106.db2.gz KEDYVZLPWJGTTB-HNNXBMFYSA-N 1 1 288.391 2.573 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](C)CO1 ZINC000846044061 632622676 /nfs/dbraw/zinc/62/26/76/632622676.db2.gz PEPKYOKEWDKPCC-IJEWVQPXSA-N 1 1 288.391 2.977 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)[C@H](C)CO1 ZINC000846044061 632622681 /nfs/dbraw/zinc/62/26/81/632622681.db2.gz PEPKYOKEWDKPCC-IJEWVQPXSA-N 1 1 288.391 2.977 20 30 CFEDMO C#CCOc1ccc(C[N@H+](CC)[C@H]2CCCOC2)cc1 ZINC000846052073 632624235 /nfs/dbraw/zinc/62/42/35/632624235.db2.gz KDWQGTOXVYGNIT-INIZCTEOSA-N 1 1 273.376 2.700 20 30 CFEDMO CCCC[C@H](ON=C(C)C)C(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000817676290 632684058 /nfs/dbraw/zinc/68/40/58/632684058.db2.gz CWGQSWHNQKEQJZ-GJZGRUSLSA-N 1 1 297.443 2.510 20 30 CFEDMO CC#CC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000846344864 632693362 /nfs/dbraw/zinc/69/33/62/632693362.db2.gz DEIFTWQQEADVCP-XHSDSOJGSA-N 1 1 284.403 2.520 20 30 CFEDMO C#CCOc1ccc([C@@H](C)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000817966514 632765409 /nfs/dbraw/zinc/76/54/09/632765409.db2.gz PIVODNUTXBRWIS-QAPCUYQASA-N 1 1 286.419 2.739 20 30 CFEDMO Cc1cc(C#N)ccc1N1CC[NH+](Cc2ccco2)CC1 ZINC000846746075 632781689 /nfs/dbraw/zinc/78/16/89/632781689.db2.gz YIQBEXDDILCKSM-UHFFFAOYSA-N 1 1 281.359 2.782 20 30 CFEDMO Cc1cc(C#N)ccc1N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000846755431 632786960 /nfs/dbraw/zinc/78/69/60/632786960.db2.gz MVPUYKHRJUJUOW-RDJZCZTQSA-N 1 1 269.392 2.787 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H]1CN(CC)C(=O)O1 ZINC000846765102 632791026 /nfs/dbraw/zinc/79/10/26/632791026.db2.gz KXTNBHKLENGUSU-HNNXBMFYSA-N 1 1 274.364 2.515 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)nc1 ZINC000846816447 632809091 /nfs/dbraw/zinc/80/90/91/632809091.db2.gz WQXAWQLAMVOXIL-CVEARBPZSA-N 1 1 297.358 2.634 20 30 CFEDMO N#CCOc1ccc(C[N@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000846907733 632842340 /nfs/dbraw/zinc/84/23/40/632842340.db2.gz ZUIGBCFGAQSZLS-QGZVFWFLSA-N 1 1 293.370 2.973 20 30 CFEDMO C=C(Br)CN1CC[N@H+](C)C2(CCCCC2)C1 ZINC000846946825 632855661 /nfs/dbraw/zinc/85/56/61/632855661.db2.gz MEKPBLWCHMKNJS-UHFFFAOYSA-N 1 1 287.245 2.845 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CCCC(=O)c2ccccc2)C1 ZINC000847018253 632882551 /nfs/dbraw/zinc/88/25/51/632882551.db2.gz IJOKDIZCZVBMJG-OAHLLOKOSA-N 1 1 255.361 2.995 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000847019363 632883463 /nfs/dbraw/zinc/88/34/63/632883463.db2.gz PJBOKBVKJLGJPS-LLVKDONJSA-N 1 1 262.284 2.579 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000847019363 632883470 /nfs/dbraw/zinc/88/34/70/632883470.db2.gz PJBOKBVKJLGJPS-LLVKDONJSA-N 1 1 262.284 2.579 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2c(C)cc(C)nc2OC)C1 ZINC000847020010 632883624 /nfs/dbraw/zinc/88/36/24/632883624.db2.gz VBPNBSWHJFNGGG-CQSZACIVSA-N 1 1 258.365 2.552 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000847020586 632885675 /nfs/dbraw/zinc/88/56/75/632885675.db2.gz BWEUANRSWCUDTF-LLVKDONJSA-N 1 1 294.757 2.763 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000847020586 632885684 /nfs/dbraw/zinc/88/56/84/632885684.db2.gz BWEUANRSWCUDTF-LLVKDONJSA-N 1 1 294.757 2.763 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCOC(=O)/C=C\c1ccccc1C#N ZINC000818646027 632885884 /nfs/dbraw/zinc/88/58/84/632885884.db2.gz IHOYIJYBJFDELJ-DOOKAGJSSA-N 1 1 298.386 2.989 20 30 CFEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)C1 ZINC000847021880 632886618 /nfs/dbraw/zinc/88/66/18/632886618.db2.gz CNEIGUMRWXDVLV-DLBZAZTESA-N 1 1 298.430 2.687 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000847022561 632887063 /nfs/dbraw/zinc/88/70/63/632887063.db2.gz ICONKPXWIYXLFY-MRXNPFEDSA-N 1 1 279.387 2.777 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000847022561 632887073 /nfs/dbraw/zinc/88/70/73/632887073.db2.gz ICONKPXWIYXLFY-MRXNPFEDSA-N 1 1 279.387 2.777 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000847024920 632890683 /nfs/dbraw/zinc/89/06/83/632890683.db2.gz UKECVCPYSVLHSU-CQSZACIVSA-N 1 1 281.359 2.890 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C)cc3)o2)C1 ZINC000847024920 632890689 /nfs/dbraw/zinc/89/06/89/632890689.db2.gz UKECVCPYSVLHSU-CQSZACIVSA-N 1 1 281.359 2.890 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000847026980 632892721 /nfs/dbraw/zinc/89/27/21/632892721.db2.gz IUDUEIJFPUVODY-LBPRGKRZSA-N 1 1 285.322 2.721 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2nc(-c3ccc(F)cc3)no2)C1 ZINC000847026980 632892726 /nfs/dbraw/zinc/89/27/26/632892726.db2.gz IUDUEIJFPUVODY-LBPRGKRZSA-N 1 1 285.322 2.721 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000847027459 632893288 /nfs/dbraw/zinc/89/32/88/632893288.db2.gz SXHNPYKZEQNXPH-CQSZACIVSA-N 1 1 283.350 2.857 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000847027459 632893291 /nfs/dbraw/zinc/89/32/91/632893291.db2.gz SXHNPYKZEQNXPH-CQSZACIVSA-N 1 1 283.350 2.857 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CC(=O)N[C@H](C)c2ccc(C)c(C)c2)C1 ZINC000847030739 632894480 /nfs/dbraw/zinc/89/44/80/632894480.db2.gz RSAHIUOBKKBTAH-SJORKVTESA-N 1 1 298.430 2.826 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000847030737 632894995 /nfs/dbraw/zinc/89/49/95/632894995.db2.gz RSAHIUOBKKBTAH-IRXDYDNUSA-N 1 1 298.430 2.826 20 30 CFEDMO C#C[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCCC[C@H]2CC)C1 ZINC000847032494 632896158 /nfs/dbraw/zinc/89/61/58/632896158.db2.gz LIXWMOTVBWLWQT-ARFHVFGLSA-N 1 1 276.424 2.511 20 30 CFEDMO C#C[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)C1 ZINC000847032252 632896535 /nfs/dbraw/zinc/89/65/35/632896535.db2.gz WKQPCTWYHSBZOD-ARFHVFGLSA-N 1 1 296.414 2.698 20 30 CFEDMO C=CC[C@H]([NH2+]C[C@H](C#N)CCC#N)c1ccncc1 ZINC000819073470 632953849 /nfs/dbraw/zinc/95/38/49/632953849.db2.gz FBCLXROYNBFBGY-ZFWWWQNUSA-N 1 1 254.337 2.732 20 30 CFEDMO C=CC[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccncc1 ZINC000819073465 632954129 /nfs/dbraw/zinc/95/41/29/632954129.db2.gz FBCLXROYNBFBGY-DZGCQCFKSA-N 1 1 254.337 2.732 20 30 CFEDMO CC(C)(C#N)C[NH2+]C[C@@H](O)c1ccccc1Br ZINC000819219548 633023604 /nfs/dbraw/zinc/02/36/04/633023604.db2.gz SCYFADIQRSXNNY-GFCCVEGCSA-N 1 1 297.196 2.622 20 30 CFEDMO N#CC1(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)CC1 ZINC000819280930 633052379 /nfs/dbraw/zinc/05/23/79/633052379.db2.gz POBSOVINTRSIEK-LBPRGKRZSA-N 1 1 284.281 2.632 20 30 CFEDMO C=CCOc1ccccc1C(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC000847822909 633092932 /nfs/dbraw/zinc/09/29/32/633092932.db2.gz AROGMOYTZWQJJQ-CQSZACIVSA-N 1 1 289.375 2.750 20 30 CFEDMO C#CCCC[C@@H](C)OC(=O)[C@H]1CCCC[N@H+]1CC ZINC000847866804 633117677 /nfs/dbraw/zinc/11/76/77/633117677.db2.gz QXGLQNCEGKOWGB-ZIAGYGMSSA-N 1 1 251.370 2.596 20 30 CFEDMO C#CCCC[C@@H](C)OC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000847866804 633117681 /nfs/dbraw/zinc/11/76/81/633117681.db2.gz QXGLQNCEGKOWGB-ZIAGYGMSSA-N 1 1 251.370 2.596 20 30 CFEDMO Cc1cc(C)nc(N=NC2CCC[N@H+]3CCCC[C@@H]23)n1 ZINC000848399916 633248769 /nfs/dbraw/zinc/24/87/69/633248769.db2.gz WCKSANHFRANIAD-AWEZNQCLSA-N 1 1 273.384 2.510 20 30 CFEDMO Cc1cc(N=NC2CCC[N@H+]3CCCC[C@H]23)nc(C)n1 ZINC000848402971 633249840 /nfs/dbraw/zinc/24/98/40/633249840.db2.gz KWLOBBTXYQOUDH-CQSZACIVSA-N 1 1 273.384 2.510 20 30 CFEDMO C=CCCCCC[N@H+](C)Cn1cc(-c2ccncn2)cn1 ZINC000848479476 633264497 /nfs/dbraw/zinc/26/44/97/633264497.db2.gz BGFUYBKNHMUANI-UHFFFAOYSA-N 1 1 285.395 2.976 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cn2nc(Cl)c3ccccc32)C1 ZINC000848492729 633265901 /nfs/dbraw/zinc/26/59/01/633265901.db2.gz FWBATLJWKHYARM-GFCCVEGCSA-N 1 1 273.767 2.992 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cn2nc(Cl)c3ccccc32)C1 ZINC000848492729 633265905 /nfs/dbraw/zinc/26/59/05/633265905.db2.gz FWBATLJWKHYARM-GFCCVEGCSA-N 1 1 273.767 2.992 20 30 CFEDMO C=CCCn1cc(CO[NH+]=C(N)C2CCCCCC2)nn1 ZINC000848510424 633269363 /nfs/dbraw/zinc/26/93/63/633269363.db2.gz SGEUOLRRBLGLSY-UHFFFAOYSA-N 1 1 291.399 2.823 20 30 CFEDMO C[C@H]1C[C@@H]1C(N)=[NH+]OCc1ccc(Cl)cc1C#N ZINC000848522325 633275759 /nfs/dbraw/zinc/27/57/59/633275759.db2.gz WFDMCNQFZAAJFH-UFBFGSQYSA-N 1 1 263.728 2.866 20 30 CFEDMO Cc1ncncc1[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000848532846 633279952 /nfs/dbraw/zinc/27/99/52/633279952.db2.gz FOSLCQWQIXAUMR-JTQLQIEISA-N 1 1 270.311 2.647 20 30 CFEDMO Cn1c(Cl)ncc1C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000848542777 633284319 /nfs/dbraw/zinc/28/43/19/633284319.db2.gz DQTSGNBDAOMQEH-UHFFFAOYSA-N 1 1 286.766 2.724 20 30 CFEDMO COCC1(c2noc([C@@H]([NH3+])CCCCC#N)n2)CCCC1 ZINC000848630300 633304169 /nfs/dbraw/zinc/30/41/69/633304169.db2.gz KKGAZXCVFYHBFH-LBPRGKRZSA-N 1 1 292.383 2.612 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2occc2Br)C1 ZINC000848923368 633405877 /nfs/dbraw/zinc/40/58/77/633405877.db2.gz COAVPSGQHAFOAR-SNVBAGLBSA-N 1 1 268.154 2.887 20 30 CFEDMO C#CCCOc1ccc(C[NH+]2CC3(CC3(F)F)C2)cc1 ZINC000848922102 633403965 /nfs/dbraw/zinc/40/39/65/633403965.db2.gz MCERKBAQQOIFAS-UHFFFAOYSA-N 1 1 277.314 2.930 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](Cc2occc2Br)C1 ZINC000848923368 633405874 /nfs/dbraw/zinc/40/58/74/633405874.db2.gz COAVPSGQHAFOAR-SNVBAGLBSA-N 1 1 268.154 2.887 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000848924522 633407322 /nfs/dbraw/zinc/40/73/22/633407322.db2.gz UTHVILCPFNLQBR-HNNXBMFYSA-N 1 1 295.386 2.726 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000848924600 633407354 /nfs/dbraw/zinc/40/73/54/633407354.db2.gz WRMBNTTZKSLPGK-HNNXBMFYSA-N 1 1 271.408 2.771 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000848924748 633407451 /nfs/dbraw/zinc/40/74/51/633407451.db2.gz ZGBLBQASDPYNGS-NSHDSACASA-N 1 1 279.767 2.899 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(OC)c2O)C1 ZINC000848924747 633407604 /nfs/dbraw/zinc/40/76/04/633407604.db2.gz ZGBLBQASDPYNGS-LLVKDONJSA-N 1 1 279.767 2.899 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cnc(C(C)(C)C)nc2)C1 ZINC000848924776 633407979 /nfs/dbraw/zinc/40/79/79/633407979.db2.gz ZVGHJLBOBKSJCK-ZDUSSCGKSA-N 1 1 257.381 2.619 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000848924633 633408022 /nfs/dbraw/zinc/40/80/22/633408022.db2.gz XBKMDYGYZBKPSA-LBPRGKRZSA-N 1 1 255.321 2.515 20 30 CFEDMO CCCCCCCCNC(=[NH2+])NCCN1CCCC1 ZINC000849057714 633482572 /nfs/dbraw/zinc/48/25/72/633482572.db2.gz VZMKWAAYDSARHT-UHFFFAOYSA-N 1 1 268.449 2.557 20 30 CFEDMO C=CCCn1cc(CNc2[nH+]cccc2C(C)C)nn1 ZINC000849345715 633624231 /nfs/dbraw/zinc/62/42/31/633624231.db2.gz QXPAVYBHUAKFOQ-UHFFFAOYSA-N 1 1 271.368 2.985 20 30 CFEDMO Cc1cnc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cn1 ZINC000850355405 633952884 /nfs/dbraw/zinc/95/28/84/633952884.db2.gz HZUDTWUMQRZLES-UHFFFAOYSA-N 1 1 266.348 2.682 20 30 CFEDMO COc1ccc(C[NH2+]CC#Cc2ccccc2)c(OC)c1 ZINC000109554156 634098389 /nfs/dbraw/zinc/09/83/89/634098389.db2.gz OSDWIVZBWUOYHK-UHFFFAOYSA-N 1 1 281.355 2.845 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@](C)(F)CCCC ZINC000850825408 634103975 /nfs/dbraw/zinc/10/39/75/634103975.db2.gz UKXPTBUAFHBADW-DZGCQCFKSA-N 1 1 269.360 2.546 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)[C@](C)(F)CCCC ZINC000850825408 634103979 /nfs/dbraw/zinc/10/39/79/634103979.db2.gz UKXPTBUAFHBADW-DZGCQCFKSA-N 1 1 269.360 2.546 20 30 CFEDMO C=CC(C)(C)CCOC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000851300557 634312096 /nfs/dbraw/zinc/31/20/96/634312096.db2.gz VOGZMIDOAVPXHT-LBPRGKRZSA-N 1 1 271.426 2.569 20 30 CFEDMO C=CC(C)(C)CCOC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000851300557 634312101 /nfs/dbraw/zinc/31/21/01/634312101.db2.gz VOGZMIDOAVPXHT-LBPRGKRZSA-N 1 1 271.426 2.569 20 30 CFEDMO C#CCCCOc1cccnc1NC[C@H]1CCC[N@@H+]1CC ZINC000853086861 634899779 /nfs/dbraw/zinc/89/97/79/634899779.db2.gz QSTKJSUFWHBAAL-OAHLLOKOSA-N 1 1 287.407 2.770 20 30 CFEDMO C#Cc1cccnc1NCCC[N@@H+]1CCCC[C@H]1C ZINC000853094157 634902732 /nfs/dbraw/zinc/90/27/32/634902732.db2.gz ZKXPEHUZIZVSGX-CQSZACIVSA-N 1 1 257.381 2.739 20 30 CFEDMO C#Cc1cccnc1N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000853192497 634930095 /nfs/dbraw/zinc/93/00/95/634930095.db2.gz BXRVGXPRILWCIG-UXLLHSPISA-N 1 1 283.419 2.905 20 30 CFEDMO C#CCCCOc1cccnc1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000853232041 634947191 /nfs/dbraw/zinc/94/71/91/634947191.db2.gz QIBJWZCHSXWARQ-CQSZACIVSA-N 1 1 285.391 2.522 20 30 CFEDMO C#CCCCOc1cccnc1NCC[N@H+](C)C(C)C ZINC000853252563 634952446 /nfs/dbraw/zinc/95/24/46/634952446.db2.gz PJBWPANWMZKQOF-UHFFFAOYSA-N 1 1 275.396 2.626 20 30 CFEDMO C#CCCCOc1cccnc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000853376495 634985919 /nfs/dbraw/zinc/98/59/19/634985919.db2.gz ROGLFDUUGPWXIO-HUUCEWRRSA-N 1 1 287.407 2.768 20 30 CFEDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](CC#N)C2)cc1OC ZINC000853524742 635027272 /nfs/dbraw/zinc/02/72/72/635027272.db2.gz OZJHWHMSTCCCIE-LBPRGKRZSA-N 1 1 290.363 2.535 20 30 CFEDMO C=CC[C@H]1CCC[N@@H+](CN2C[C@H](c3ccccn3)CC2=O)C1 ZINC000853536857 635031595 /nfs/dbraw/zinc/03/15/95/635031595.db2.gz JOPFCJNWJIVGKD-JKSUJKDBSA-N 1 1 299.418 2.643 20 30 CFEDMO C=CCc1cc(OC)cc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000853577154 635039960 /nfs/dbraw/zinc/03/99/60/635039960.db2.gz HBVRTRRNFVXCLU-TZMCWYRMSA-N 1 1 273.376 2.971 20 30 CFEDMO C=CCc1cc(C[N@@H+]2CC[C@](C)(C#N)C2)c(O)c(OC)c1 ZINC000853599923 635046011 /nfs/dbraw/zinc/04/60/11/635046011.db2.gz YPGOJDJGYJTBKK-QGZVFWFLSA-N 1 1 286.375 2.865 20 30 CFEDMO C=CCc1cc(C[N@H+]2CC[C@](C)(C#N)C2)c(O)c(OC)c1 ZINC000853599923 635046016 /nfs/dbraw/zinc/04/60/16/635046016.db2.gz YPGOJDJGYJTBKK-QGZVFWFLSA-N 1 1 286.375 2.865 20 30 CFEDMO C(=NOC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000853735944 635088582 /nfs/dbraw/zinc/08/85/82/635088582.db2.gz FXIHKPGCFHXMFQ-QGZVFWFLSA-N 1 1 288.391 2.690 20 30 CFEDMO C#C[C@](C)(CC)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000854697305 635370172 /nfs/dbraw/zinc/37/01/72/635370172.db2.gz ZHABTNCLIMBJLZ-PKOBYXMFSA-N 1 1 298.430 2.817 20 30 CFEDMO C=CC[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000112998409 635455808 /nfs/dbraw/zinc/45/58/08/635455808.db2.gz YYOWOURICRQPOO-VXGBXAGGSA-N 1 1 254.374 2.502 20 30 CFEDMO C=CC[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000112998407 635455652 /nfs/dbraw/zinc/45/56/52/635455652.db2.gz YYOWOURICRQPOO-RYUDHWBXSA-N 1 1 254.374 2.502 20 30 CFEDMO C#CCC1(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC000855285603 635500693 /nfs/dbraw/zinc/50/06/93/635500693.db2.gz GQOWWUYHVYJNAI-HNNXBMFYSA-N 1 1 290.451 2.949 20 30 CFEDMO CC(C)[N@@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C)CC1=O ZINC000113242892 635511090 /nfs/dbraw/zinc/51/10/90/635511090.db2.gz PRFHYMOIIGTWQC-AWEZNQCLSA-N 1 1 285.391 2.595 20 30 CFEDMO CC(C)[N@H+](Cc1ccc(C#N)cc1)CN1C[C@@H](C)CC1=O ZINC000113242892 635511094 /nfs/dbraw/zinc/51/10/94/635511094.db2.gz PRFHYMOIIGTWQC-AWEZNQCLSA-N 1 1 285.391 2.595 20 30 CFEDMO CC#CC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000855469539 635560310 /nfs/dbraw/zinc/56/03/10/635560310.db2.gz JFQFYKFDQKECEO-UHFFFAOYSA-N 1 1 299.399 2.852 20 30 CFEDMO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)[C@@H](C)[C@H](C)O1 ZINC000930252024 635807324 /nfs/dbraw/zinc/80/73/24/635807324.db2.gz OENSKOCXDUJAKH-RIUMEUQESA-N 1 1 250.386 2.814 20 30 CFEDMO CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000856804036 635864368 /nfs/dbraw/zinc/86/43/68/635864368.db2.gz QGDLCNHLGMVLTN-HNNXBMFYSA-N 1 1 288.391 2.572 20 30 CFEDMO CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1C[N@@H+](CCCC#N)C2 ZINC000856813512 635867518 /nfs/dbraw/zinc/86/75/18/635867518.db2.gz HZSLWWHWGUHWFT-CJNGLKHVSA-N 1 1 293.411 2.669 20 30 CFEDMO C[C@@H](C#N)CN(C)C(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000856962600 635893181 /nfs/dbraw/zinc/89/31/81/635893181.db2.gz FBFOKQKGENTIOA-WMLDXEAASA-N 1 1 299.418 2.727 20 30 CFEDMO C=C[C@H](C)NC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)c1 ZINC000857150950 635936521 /nfs/dbraw/zinc/93/65/21/635936521.db2.gz WGZNVPBKPLBZON-XJKSGUPXSA-N 1 1 272.392 2.800 20 30 CFEDMO C=C(C)CONC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857298347 635961954 /nfs/dbraw/zinc/96/19/54/635961954.db2.gz VHXBHYZMXZYEEC-MRXNPFEDSA-N 1 1 288.391 2.733 20 30 CFEDMO C=CCCONC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857330690 635966056 /nfs/dbraw/zinc/96/60/56/635966056.db2.gz LPMXECKBHACCOB-INIZCTEOSA-N 1 1 288.391 2.733 20 30 CFEDMO N#CC1CCC(C[NH2+][C@H]2CCCc3c[nH]nc32)CC1 ZINC000857864720 636039039 /nfs/dbraw/zinc/03/90/39/636039039.db2.gz HIQSZIDGKJQCIU-YIZWMMSDSA-N 1 1 258.369 2.707 20 30 CFEDMO Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(C#N)o3)C2)nc1 ZINC000858012762 636115458 /nfs/dbraw/zinc/11/54/58/636115458.db2.gz LNNPYLFUJPSFRR-OAHLLOKOSA-N 1 1 283.331 2.508 20 30 CFEDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(C#N)o3)C2)nc1 ZINC000858012762 636115463 /nfs/dbraw/zinc/11/54/63/636115463.db2.gz LNNPYLFUJPSFRR-OAHLLOKOSA-N 1 1 283.331 2.508 20 30 CFEDMO Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(C#N)s3)C2)nc1 ZINC000858013013 636115678 /nfs/dbraw/zinc/11/56/78/636115678.db2.gz OUERVGNYWBOLTN-CYBMUJFWSA-N 1 1 299.399 2.977 20 30 CFEDMO Cc1ccc(O[C@@H]2CC[N@H+]([C@H]3CC[C@H](C#N)C3)C2)nc1 ZINC000858039712 636117991 /nfs/dbraw/zinc/11/79/91/636117991.db2.gz HHJSYAKEEHMYJA-SOUVJXGZSA-N 1 1 271.364 2.535 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858043065 636118170 /nfs/dbraw/zinc/11/81/70/636118170.db2.gz JFDSNKCXZRKKEE-OAHLLOKOSA-N 1 1 258.365 2.988 20 30 CFEDMO C[N@H+]1CC[C@@H](NCc2ccc(C#N)cc2)CC1(C)C ZINC000858098865 636124838 /nfs/dbraw/zinc/12/48/38/636124838.db2.gz QRLXBVLWEOUWOS-OAHLLOKOSA-N 1 1 257.381 2.521 20 30 CFEDMO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC1(C)C ZINC000858098865 636124859 /nfs/dbraw/zinc/12/48/59/636124859.db2.gz QRLXBVLWEOUWOS-OAHLLOKOSA-N 1 1 257.381 2.521 20 30 CFEDMO C=C(Cl)C[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000858140668 636138291 /nfs/dbraw/zinc/13/82/91/636138291.db2.gz GLZNUZAQZKXZAY-UHFFFAOYSA-N 1 1 260.715 2.873 20 30 CFEDMO C#CCOc1ccccc1CNC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858284279 636175984 /nfs/dbraw/zinc/17/59/84/636175984.db2.gz DXAIWUNNSLYUAQ-SFHVURJKSA-N 1 1 298.430 2.805 20 30 CFEDMO C#CCOc1ccccc1CNC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000858284279 636175985 /nfs/dbraw/zinc/17/59/85/636175985.db2.gz DXAIWUNNSLYUAQ-SFHVURJKSA-N 1 1 298.430 2.805 20 30 CFEDMO C[N@H+]1CCCC[C@H](CNc2snc(Cl)c2C#N)C1 ZINC000858715176 636330098 /nfs/dbraw/zinc/33/00/98/636330098.db2.gz IEXMQXJKJSGETM-SECBINFHSA-N 1 1 284.816 2.812 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](C[C@H](O)c2cc(OC)ccc2OC)C1 ZINC000859444669 636564364 /nfs/dbraw/zinc/56/43/64/636564364.db2.gz WGRZGHRVUCYNCL-CJNGLKHVSA-N 1 1 291.391 2.635 20 30 CFEDMO C#CCCC[NH2+][C@@]1(C(=O)OC)CCCC(C)(C)C1 ZINC000859550816 636598086 /nfs/dbraw/zinc/59/80/86/636598086.db2.gz LOBGVHNRACGKJH-HNNXBMFYSA-N 1 1 251.370 2.501 20 30 CFEDMO C[C@@H](C#N)OCC[N@H+]1CCc2cc(C(F)(F)F)ccc2C1 ZINC000859907410 636740854 /nfs/dbraw/zinc/74/08/54/636740854.db2.gz YGILHFFGOGNUKN-NSHDSACASA-N 1 1 298.308 2.992 20 30 CFEDMO C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860033722 636765487 /nfs/dbraw/zinc/76/54/87/636765487.db2.gz GUHIFLMBZLXIAS-IYBDPMFKSA-N 1 1 280.412 2.751 20 30 CFEDMO C#CCC[N@@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034581 636766091 /nfs/dbraw/zinc/76/60/91/636766091.db2.gz PADKJZIDDQNJIR-CALCHBBNSA-N 1 1 292.423 2.589 20 30 CFEDMO C=C1CCC(C(=O)N[C@@H]2CC[N@H+](CC[C@@H](C)F)C2)CC1 ZINC001015659870 651208150 /nfs/dbraw/zinc/20/81/50/651208150.db2.gz MCLVIKDRKGKKQV-UKRRQHHQSA-N 1 1 282.403 2.671 20 30 CFEDMO C=C(CC)C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000860095217 636784621 /nfs/dbraw/zinc/78/46/21/636784621.db2.gz FCYSZHCEKDUJMQ-LBPRGKRZSA-N 1 1 256.390 2.798 20 30 CFEDMO C[C@H](C[N@@H+](C)[C@H]1CC[C@@H](C#N)C1)NC(=O)OC(C)(C)C ZINC000860097114 636784761 /nfs/dbraw/zinc/78/47/61/636784761.db2.gz QDTBCDMJLQUKFN-UPJWGTAASA-N 1 1 281.400 2.524 20 30 CFEDMO C#Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000860376481 636870782 /nfs/dbraw/zinc/87/07/82/636870782.db2.gz MPQUQBAUALYZRH-KRWDZBQOSA-N 1 1 297.402 2.806 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC(F)(F)C2)C1 ZINC001015687692 651209117 /nfs/dbraw/zinc/20/91/17/651209117.db2.gz RNCLHIFZPRHTQH-QWHCGFSZSA-N 1 1 286.366 2.579 20 30 CFEDMO C#CCCOc1ccc(C[N@H+](CCO)[C@@H](C)CC)cc1 ZINC000862387681 637349975 /nfs/dbraw/zinc/34/99/75/637349975.db2.gz PUJMKQRRMSGBCI-HNNXBMFYSA-N 1 1 275.392 2.682 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H](CC#C)C1 ZINC000862442716 637381995 /nfs/dbraw/zinc/38/19/95/637381995.db2.gz GFSJGNRBEWQPID-HNNXBMFYSA-N 1 1 253.345 2.544 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000862442805 637382303 /nfs/dbraw/zinc/38/23/03/637382303.db2.gz IDVDVEKGJVXUKB-ZDUSSCGKSA-N 1 1 259.349 2.549 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000862445170 637385446 /nfs/dbraw/zinc/38/54/46/637385446.db2.gz NKLWDEFVVRBQMF-AWEZNQCLSA-N 1 1 273.376 2.857 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cc(OC)cc3c2O[C@H](C)C3)C1 ZINC000862444760 637385747 /nfs/dbraw/zinc/38/57/47/637385747.db2.gz GTOHKHIPQUWOEU-KGLIPLIRSA-N 1 1 285.387 2.864 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000862445572 637387457 /nfs/dbraw/zinc/38/74/57/637387457.db2.gz XGYFTNBPGQSAAW-INIZCTEOSA-N 1 1 279.387 2.777 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(OC)cc3)c2)C1 ZINC000862447053 637387616 /nfs/dbraw/zinc/38/76/16/637387616.db2.gz HNSMAZGITNAZAM-OAHLLOKOSA-N 1 1 295.386 2.726 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2c(C)[nH]c(C(=O)OCC)c2C)C1 ZINC000862447911 637388697 /nfs/dbraw/zinc/38/86/97/637388697.db2.gz SELIRUHULZWQKS-AWEZNQCLSA-N 1 1 288.391 2.653 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](Cc2cccc(O)c2Br)C1 ZINC000862448326 637389040 /nfs/dbraw/zinc/38/90/40/637389040.db2.gz XDOJZNFQJMCKHN-LLVKDONJSA-N 1 1 294.192 3.000 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc(Cl)s2)C1 ZINC001015809518 651214652 /nfs/dbraw/zinc/21/46/52/651214652.db2.gz PZLZANITYPGAOT-LLVKDONJSA-N 1 1 298.839 2.711 20 30 CFEDMO c1ccc(-c2nnc(N=NC3C[N@@H+]4C[C@@H]3CCC4)s2)cc1 ZINC000863115395 637561759 /nfs/dbraw/zinc/56/17/59/637561759.db2.gz NEPHVYNHMPZVJB-LBPRGKRZSA-N 1 1 299.403 2.699 20 30 CFEDMO c1ccc(-c2nnc(N=NC3C[N@H+]4C[C@@H]3CCC4)s2)cc1 ZINC000863115395 637561770 /nfs/dbraw/zinc/56/17/70/637561770.db2.gz NEPHVYNHMPZVJB-LBPRGKRZSA-N 1 1 299.403 2.699 20 30 CFEDMO CCC(=[NH+]N[C@H](C)C(F)(F)F)c1ccc(N)cc1 ZINC000863116477 637562395 /nfs/dbraw/zinc/56/23/95/637562395.db2.gz QUXUBUVCNOXIAE-MRVPVSSYSA-N 1 1 259.275 2.923 20 30 CFEDMO FC(F)(F)c1cc(N=NC2CC[N@H+]3CCC[C@H]23)ccn1 ZINC000863180611 637580342 /nfs/dbraw/zinc/58/03/42/637580342.db2.gz FAFSGBTUZVAPGY-LLVKDONJSA-N 1 1 284.285 2.736 20 30 CFEDMO N#CCC1CC[NH+](CN2C[C@H](c3ccccc3)OC2=O)CC1 ZINC000863263319 637609276 /nfs/dbraw/zinc/60/92/76/637609276.db2.gz NHOXEKIAIKNOMV-MRXNPFEDSA-N 1 1 299.374 2.763 20 30 CFEDMO CCCCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC000863900569 637804795 /nfs/dbraw/zinc/80/47/95/637804795.db2.gz YYMLVLMKCGSYBS-UHFFFAOYSA-N 1 1 254.418 2.947 20 30 CFEDMO C[N@H+]1CCN(C(=O)CC2(C#N)CCCCC2)CCC1(C)C ZINC000864063823 637854489 /nfs/dbraw/zinc/85/44/89/637854489.db2.gz VLSCZSSNBJCYLQ-UHFFFAOYSA-N 1 1 291.439 2.793 20 30 CFEDMO COc1ccc(O)c(/C=N/C[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000864346402 637946714 /nfs/dbraw/zinc/94/67/14/637946714.db2.gz VOUOHEBQYZURHZ-CLXYIWAZSA-N 1 1 288.391 2.837 20 30 CFEDMO COc1cccc(O)c1/C=N\C[C@H]1CC[N@H+]1C1CCCC1 ZINC000864346610 637947206 /nfs/dbraw/zinc/94/72/06/637947206.db2.gz XUNFVTMFZMUUSI-IIMQCXAKSA-N 1 1 288.391 2.837 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Cl)s2)C1 ZINC001016172085 651226954 /nfs/dbraw/zinc/22/69/54/651226954.db2.gz SZXKHDNHAUVGEN-SNVBAGLBSA-N 1 1 284.812 2.782 20 30 CFEDMO CCc1[nH+]c(C)cn1Cc1ccc(C#N)cc1OC ZINC000865393196 638303847 /nfs/dbraw/zinc/30/38/47/638303847.db2.gz LZPAHWBOQKBRQD-UHFFFAOYSA-N 1 1 255.321 2.683 20 30 CFEDMO Cc1noc(C)c1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865430291 638330092 /nfs/dbraw/zinc/33/00/92/638330092.db2.gz GUWRTOBFSLDYGY-UHFFFAOYSA-N 1 1 284.363 2.519 20 30 CFEDMO CC(C)[N@H+]1CC[C@H](Nc2cc(C(F)(F)F)cc(C#N)n2)C1 ZINC000865471982 638359026 /nfs/dbraw/zinc/35/90/26/638359026.db2.gz UBKYACFRFQLQAO-NSHDSACASA-N 1 1 298.312 2.867 20 30 CFEDMO C=CCOc1ccc(C[NH2+]Cc2cn(CCC)nn2)cc1 ZINC000865565613 638427888 /nfs/dbraw/zinc/42/78/88/638427888.db2.gz ORCCGVOUCGVLMT-UHFFFAOYSA-N 1 1 286.379 2.543 20 30 CFEDMO C#CCOc1ccc(C[NH2+]Cc2cn(C3CC3)cn2)cc1 ZINC000865588497 638443440 /nfs/dbraw/zinc/44/34/40/638443440.db2.gz BAVZCGMQYOKADI-UHFFFAOYSA-N 1 1 281.359 2.520 20 30 CFEDMO N#CCc1ccc(C[NH2+]Cc2cn(C3CC3)cn2)cc1 ZINC000865613299 638460412 /nfs/dbraw/zinc/46/04/12/638460412.db2.gz RAUCVOCUFIGKHW-UHFFFAOYSA-N 1 1 266.348 2.574 20 30 CFEDMO C[C@H]1[C@H](C)[N@@H+](C)CCN1c1cc(C(F)(F)F)cc(C#N)n1 ZINC000865654335 638490881 /nfs/dbraw/zinc/49/08/81/638490881.db2.gz NKPRZIKRNPWWHH-UWVGGRQHSA-N 1 1 298.312 2.501 20 30 CFEDMO CCC(CC)C[N@@H+](CCC#N)CC[C@@H]1CCOC1=O ZINC000120731218 638569122 /nfs/dbraw/zinc/56/91/22/638569122.db2.gz UIDKKYICPVCJIJ-CQSZACIVSA-N 1 1 266.385 2.591 20 30 CFEDMO COc1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1C#N ZINC000865858419 638619167 /nfs/dbraw/zinc/61/91/67/638619167.db2.gz BONYBNAVSQHCEO-CQSZACIVSA-N 1 1 273.380 2.852 20 30 CFEDMO C[N@H+]1CCN(c2nc3c(cc2C#N)CCCC3)CCC1(C)C ZINC000866114910 638743756 /nfs/dbraw/zinc/74/37/56/638743756.db2.gz SRMOVMKTKQNFLG-UHFFFAOYSA-N 1 1 298.434 2.753 20 30 CFEDMO N#Cc1cnnc(NC[C@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC000866192732 638766630 /nfs/dbraw/zinc/76/66/30/638766630.db2.gz MPLCJNOGIJMIMN-OAHLLOKOSA-N 1 1 285.395 2.557 20 30 CFEDMO N#Cc1cnnc(NC[C@@H]2CC[N@H+]2C2CCCCCC2)c1 ZINC000866192731 638766713 /nfs/dbraw/zinc/76/67/13/638766713.db2.gz MPLCJNOGIJMIMN-HNNXBMFYSA-N 1 1 285.395 2.557 20 30 CFEDMO N#Cc1ccc(NC[C@H]2CC[N@H+]2C2CCCCCC2)nc1N ZINC000866194833 638767180 /nfs/dbraw/zinc/76/71/80/638767180.db2.gz YBYFEJUVZNLHJW-OAHLLOKOSA-N 1 1 299.422 2.744 20 30 CFEDMO C[N@H+]1CC[C@H]2CN(c3cc(C#N)nc4ccccc43)CC[C@@H]21 ZINC000866206582 638770439 /nfs/dbraw/zinc/77/04/39/638770439.db2.gz SJBRICVBQNOTNW-GUYCJALGSA-N 1 1 292.386 2.637 20 30 CFEDMO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1cccc(C#N)c1O ZINC000866227602 638774389 /nfs/dbraw/zinc/77/43/89/638774389.db2.gz AALCBCIRAWGEPZ-NHYWBVRUSA-N 1 1 296.374 2.726 20 30 CFEDMO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1O ZINC000866259495 638782384 /nfs/dbraw/zinc/78/23/84/638782384.db2.gz NEAMASDAFGWTPF-MNOVXSKESA-N 1 1 284.363 2.718 20 30 CFEDMO C=C(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(C#N)c2[O-])CC1 ZINC000866261644 638783186 /nfs/dbraw/zinc/78/31/86/638783186.db2.gz XTHQEVIPPUDKQT-CQSZACIVSA-N 1 1 299.418 2.955 20 30 CFEDMO C=CCSCC[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866292310 638790383 /nfs/dbraw/zinc/79/03/83/638790383.db2.gz JUWSPSORZQQKNK-TZMCWYRMSA-N 1 1 267.369 2.967 20 30 CFEDMO Cc1cncc(C[NH2+][C@H](C)c2cccc(C#N)c2O)c1 ZINC000866311300 638794967 /nfs/dbraw/zinc/79/49/67/638794967.db2.gz IERKQCOOGUVXLP-GFCCVEGCSA-N 1 1 267.332 2.818 20 30 CFEDMO Cc1ncccc1C[NH2+][C@@H](C)c1cccc(C#N)c1O ZINC000866397570 638814446 /nfs/dbraw/zinc/81/44/46/638814446.db2.gz IKVNVZAUNNKAFH-LBPRGKRZSA-N 1 1 267.332 2.818 20 30 CFEDMO C#CCC[NH+]1CCN(C(=O)C[C@H]2CCCCC2(C)C)CC1 ZINC000121074095 638821546 /nfs/dbraw/zinc/82/15/46/638821546.db2.gz XCACOWBTNBJBOM-MRXNPFEDSA-N 1 1 290.451 2.760 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CCOc3cc(N)ccc3C2)cc1 ZINC000866686603 638865499 /nfs/dbraw/zinc/86/54/99/638865499.db2.gz IPPIKZBYYWKWMK-UHFFFAOYSA-N 1 1 293.370 2.578 20 30 CFEDMO C=CCN(C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000869102154 639027403 /nfs/dbraw/zinc/02/74/03/639027403.db2.gz VDCFTZQJYVAFDP-HNNXBMFYSA-N 1 1 279.428 2.611 20 30 CFEDMO Cc1[nH+]ccn1CCOC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC000870046032 639509197 /nfs/dbraw/zinc/50/91/97/639509197.db2.gz HFKNWHJCBQFDSQ-UHFFFAOYSA-N 1 1 297.358 2.584 20 30 CFEDMO C#CCC(C)(C)C(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000870121299 639521345 /nfs/dbraw/zinc/52/13/45/639521345.db2.gz BOJBZYDIVNHULT-MRXNPFEDSA-N 1 1 298.430 2.941 20 30 CFEDMO C=CCCCC(=O)N1CC[NH2+][C@@H](c2ccc(OC)cc2)C1 ZINC000870143208 639528659 /nfs/dbraw/zinc/52/86/59/639528659.db2.gz SDHQRNGAODPWLL-MRXNPFEDSA-N 1 1 288.391 2.524 20 30 CFEDMO C#CCCCC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000192118686 650540982 /nfs/dbraw/zinc/54/09/82/650540982.db2.gz CHFMEBIJVHKQNO-KRWDZBQOSA-N 1 1 290.451 2.951 20 30 CFEDMO Cc1oc(C#N)cc1C(=O)O[C@H](C)C[C@H]1CCCC[N@H+]1C ZINC000870784927 641065947 /nfs/dbraw/zinc/06/59/47/641065947.db2.gz LIGJQUKCSXPIKH-DGCLKSJQSA-N 1 1 290.363 2.879 20 30 CFEDMO C#CCCCC(=O)O[C@H](C)C[C@H]1CCCC[N@H+]1C ZINC000870785262 641066140 /nfs/dbraw/zinc/06/61/40/641066140.db2.gz NIRPZVCXFZNCNW-ZIAGYGMSSA-N 1 1 251.370 2.596 20 30 CFEDMO C#CCCCC(=O)O[C@H](C)C[C@@H]1CCCC[N@H+]1C ZINC000870785260 641066431 /nfs/dbraw/zinc/06/64/31/641066431.db2.gz NIRPZVCXFZNCNW-KGLIPLIRSA-N 1 1 251.370 2.596 20 30 CFEDMO C=CCCO[C@H](C)C(=O)O[C@@H](C)C[C@@H]1CCCC[N@H+]1C ZINC000870788107 641071509 /nfs/dbraw/zinc/07/15/09/641071509.db2.gz FCSRGPPLRRBYMQ-ZNMIVQPWSA-N 1 1 283.412 2.774 20 30 CFEDMO NC(=[NH+]OCc1noc2c1CCCC2)C1CCCCC1 ZINC000123389067 641113084 /nfs/dbraw/zinc/11/30/84/641113084.db2.gz MKGUWOYZMSKVQN-UHFFFAOYSA-N 1 1 277.368 2.923 20 30 CFEDMO CC[C@H]1COCC[N@@H+]1CC/N=C\c1cc(Cl)ccc1O ZINC000871597179 641363203 /nfs/dbraw/zinc/36/32/03/641363203.db2.gz LJPXTFDLAQYGPQ-XGHPXPSOSA-N 1 1 296.798 2.575 20 30 CFEDMO CC[C@H]1COCC[N@H+]1CC/N=C\c1cc(Cl)ccc1O ZINC000871597179 641363209 /nfs/dbraw/zinc/36/32/09/641363209.db2.gz LJPXTFDLAQYGPQ-XGHPXPSOSA-N 1 1 296.798 2.575 20 30 CFEDMO C=C(Cl)C[C@@H]([NH3+])c1nc(-c2cncc(C)c2)no1 ZINC000872172757 641692451 /nfs/dbraw/zinc/69/24/51/641692451.db2.gz GYFGNDFXLALTDY-SNVBAGLBSA-N 1 1 264.716 2.582 20 30 CFEDMO C=C(Cl)C[C@H]([NH3+])c1nc([C@H]2CCCS2)no1 ZINC000872175720 641694646 /nfs/dbraw/zinc/69/46/46/641694646.db2.gz OBLYOJCOZDHLOD-JGVFFNPUSA-N 1 1 259.762 2.780 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+]Cc1ccc(O)c(Cl)c1 ZINC000872248444 641715712 /nfs/dbraw/zinc/71/57/12/641715712.db2.gz ULYJNDZVUMDMGN-NSHDSACASA-N 1 1 263.728 2.579 20 30 CFEDMO CC1(C)[C@H]2[C@H](CCC[N@H+]2Cc2cccc(C#N)c2)[C@@H]1O ZINC000872257659 641721448 /nfs/dbraw/zinc/72/14/48/641721448.db2.gz UYIUXGHYZRNYJP-XHSDSOJGSA-N 1 1 270.376 2.540 20 30 CFEDMO C[C@H]1C(N=Nc2nc3ccccc3s2)CC[N@@H+]1C ZINC000872325168 641756729 /nfs/dbraw/zinc/75/67/29/641756729.db2.gz FPZKRDHMGRGJSA-VIFPVBQESA-N 1 1 260.366 2.788 20 30 CFEDMO C[C@H]1C(N=Nc2nc3ccccc3s2)CC[N@H+]1C ZINC000872325168 641756734 /nfs/dbraw/zinc/75/67/34/641756734.db2.gz FPZKRDHMGRGJSA-VIFPVBQESA-N 1 1 260.366 2.788 20 30 CFEDMO N#Cc1cccc(N=NC2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000872339997 641759591 /nfs/dbraw/zinc/75/95/91/641759591.db2.gz IKSKCXIUVADRQY-HNNXBMFYSA-N 1 1 286.404 2.537 20 30 CFEDMO N#Cc1cccc(N=NC2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000872339997 641759595 /nfs/dbraw/zinc/75/95/95/641759595.db2.gz IKSKCXIUVADRQY-HNNXBMFYSA-N 1 1 286.404 2.537 20 30 CFEDMO Fc1cccc(N=NC2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000872345893 641761731 /nfs/dbraw/zinc/76/17/31/641761731.db2.gz WYOQLLIPJZBIDE-AWEZNQCLSA-N 1 1 279.384 2.805 20 30 CFEDMO Fc1cccc(N=NC2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000872345893 641761735 /nfs/dbraw/zinc/76/17/35/641761735.db2.gz WYOQLLIPJZBIDE-AWEZNQCLSA-N 1 1 279.384 2.805 20 30 CFEDMO C[C@H]1C(N=Nc2ccc(OC(F)F)cc2)CC[N@H+]1C ZINC000872348774 641762716 /nfs/dbraw/zinc/76/27/16/641762716.db2.gz RKZXTBILZAUYGH-VIFPVBQESA-N 1 1 269.295 2.780 20 30 CFEDMO CCC(=NNc1cc[nH+]cc1)c1cccc(OC)c1OC ZINC000872363658 641769824 /nfs/dbraw/zinc/76/98/24/641769824.db2.gz LKGVAWPMASEBBN-UHFFFAOYSA-N 1 1 285.347 2.747 20 30 CFEDMO Clc1ccnc(N=NC2CCC[N@@H+]3CCSC[C@@H]23)c1 ZINC000872364647 641770456 /nfs/dbraw/zinc/77/04/56/641770456.db2.gz PYHJKXMVLSWWBK-LBPRGKRZSA-N 1 1 296.827 2.714 20 30 CFEDMO Clc1ccnc(N=NC2CCC[N@H+]3CCSC[C@@H]23)c1 ZINC000872364647 641770461 /nfs/dbraw/zinc/77/04/61/641770461.db2.gz PYHJKXMVLSWWBK-LBPRGKRZSA-N 1 1 296.827 2.714 20 30 CFEDMO CN(C)c1ccc(C=[NH+]N2CCC2)c(C(F)(F)F)c1 ZINC000872396650 641790983 /nfs/dbraw/zinc/79/09/83/641790983.db2.gz CEDWHAQZSMBEBH-UHFFFAOYSA-N 1 1 271.286 2.811 20 30 CFEDMO C[N@H+](Cn1cnc2cc(F)c(F)cc21)[C@H]1CCC[C@@H]1C#N ZINC000872682079 641895319 /nfs/dbraw/zinc/89/53/19/641895319.db2.gz MBAPKQPYRCQDFW-YGRLFVJLSA-N 1 1 290.317 2.896 20 30 CFEDMO C[N@@H+](Cn1cnc2cc(F)c(F)cc21)[C@H]1CCC[C@@H]1C#N ZINC000872682079 641895325 /nfs/dbraw/zinc/89/53/25/641895325.db2.gz MBAPKQPYRCQDFW-YGRLFVJLSA-N 1 1 290.317 2.896 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000872923466 641964540 /nfs/dbraw/zinc/96/45/40/641964540.db2.gz APSPHTOKNWRMDN-CQSZACIVSA-N 1 1 293.455 2.762 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000873114076 642015917 /nfs/dbraw/zinc/01/59/17/642015917.db2.gz SZTYMOHMEXYJPN-KRWDZBQOSA-N 1 1 293.455 2.716 20 30 CFEDMO N#Cc1ccc(COC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)o1 ZINC000873386326 642173489 /nfs/dbraw/zinc/17/34/89/642173489.db2.gz BQVLSDRPSOPQNJ-HNNXBMFYSA-N 1 1 288.347 2.601 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1sccc1C(F)F ZINC000873501422 642225160 /nfs/dbraw/zinc/22/51/60/642225160.db2.gz FLDCHNUMPKBNMC-JTQLQIEISA-N 1 1 299.342 2.940 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1sccc1C(F)F ZINC000873501422 642225165 /nfs/dbraw/zinc/22/51/65/642225165.db2.gz FLDCHNUMPKBNMC-JTQLQIEISA-N 1 1 299.342 2.940 20 30 CFEDMO C#CCC1(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CCCCC1 ZINC000874830789 642514067 /nfs/dbraw/zinc/51/40/67/642514067.db2.gz UENBOGJHJWBDLU-JKSUJKDBSA-N 1 1 288.435 2.655 20 30 CFEDMO C=CCCC[C@@H](C)NC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000875463966 642626613 /nfs/dbraw/zinc/62/66/13/642626613.db2.gz ZSQVGGKZEBLSCC-CQSZACIVSA-N 1 1 281.444 2.857 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)N(CC)[C@@H]1CC[N@@H+](C)C1 ZINC000876321954 642824782 /nfs/dbraw/zinc/82/47/82/642824782.db2.gz BEFWJNQFPAAYOB-CQSZACIVSA-N 1 1 281.444 2.714 20 30 CFEDMO C[N@H+](CCC#N)C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876526051 642905108 /nfs/dbraw/zinc/90/51/08/642905108.db2.gz RDCYFVGAZQKHQV-AWEZNQCLSA-N 1 1 295.427 2.869 20 30 CFEDMO C[N@@H+](CCC#N)C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000876526051 642905113 /nfs/dbraw/zinc/90/51/13/642905113.db2.gz RDCYFVGAZQKHQV-AWEZNQCLSA-N 1 1 295.427 2.869 20 30 CFEDMO CC[N@H+](CCC#N)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000876564417 642925399 /nfs/dbraw/zinc/92/53/99/642925399.db2.gz TUTNGMGTMMTGBW-UHFFFAOYSA-N 1 1 283.416 2.773 20 30 CFEDMO CC[N@@H+](CCC#N)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000876564417 642925401 /nfs/dbraw/zinc/92/54/01/642925401.db2.gz TUTNGMGTMMTGBW-UHFFFAOYSA-N 1 1 283.416 2.773 20 30 CFEDMO C=CC[N@H+](Cc1cc(C(=O)OC)c(C)[nH]1)C(C)C ZINC000876600324 642940956 /nfs/dbraw/zinc/94/09/56/642940956.db2.gz PDRVMLRVYNOVMB-UHFFFAOYSA-N 1 1 250.342 2.506 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000876611994 642945201 /nfs/dbraw/zinc/94/52/01/642945201.db2.gz YSCDQFGZIPRILU-AWEZNQCLSA-N 1 1 283.379 2.639 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)Cc1cnn(-c2ccccc2)n1 ZINC000876611994 642945203 /nfs/dbraw/zinc/94/52/03/642945203.db2.gz YSCDQFGZIPRILU-AWEZNQCLSA-N 1 1 283.379 2.639 20 30 CFEDMO C[C@@H](C#N)C[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000876617478 642946714 /nfs/dbraw/zinc/94/67/14/642946714.db2.gz PDAZFRXWMRKQOQ-LBPRGKRZSA-N 1 1 283.416 2.629 20 30 CFEDMO C[C@@H](C#N)C[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000876617478 642946716 /nfs/dbraw/zinc/94/67/16/642946716.db2.gz PDAZFRXWMRKQOQ-LBPRGKRZSA-N 1 1 283.416 2.629 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000876628011 642949940 /nfs/dbraw/zinc/94/99/40/642949940.db2.gz WJPZIBBHIWYNJR-KGLIPLIRSA-N 1 1 260.385 2.539 20 30 CFEDMO CC[C@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)C[C@@H](C)O1 ZINC000876639361 642954304 /nfs/dbraw/zinc/95/43/04/642954304.db2.gz URPAKQSLEPYNOD-CJNGLKHVSA-N 1 1 287.407 2.624 20 30 CFEDMO CC[C@H]1C[N@@H+](Cc2cc(C#N)ccc2N(C)C)C[C@@H](C)O1 ZINC000876639361 642954308 /nfs/dbraw/zinc/95/43/08/642954308.db2.gz URPAKQSLEPYNOD-CJNGLKHVSA-N 1 1 287.407 2.624 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000876644344 642956110 /nfs/dbraw/zinc/95/61/10/642956110.db2.gz WAUJDSGZXQDCOB-KBPBESRZSA-N 1 1 295.427 2.867 20 30 CFEDMO CC(C)COC(=O)N1CCC[N@@H+](C[C@@H](C)CCC#N)CC1 ZINC000876657487 642960563 /nfs/dbraw/zinc/96/05/63/642960563.db2.gz OVFVAAAUWBHLHZ-HNNXBMFYSA-N 1 1 295.427 2.727 20 30 CFEDMO CCC[N@@H+](Cc1cc(C#N)cnc1Cl)CC(C)(C)O ZINC000876692151 642977180 /nfs/dbraw/zinc/97/71/80/642977180.db2.gz YBUMZMFDFLCIRD-UHFFFAOYSA-N 1 1 281.787 2.590 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000876694579 642977886 /nfs/dbraw/zinc/97/78/86/642977886.db2.gz SQCGIVVAXIAQEO-KBPBESRZSA-N 1 1 295.427 2.867 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000876715603 642982485 /nfs/dbraw/zinc/98/24/85/642982485.db2.gz RHEJUIDANDSVTJ-INIZCTEOSA-N 1 1 276.424 2.657 20 30 CFEDMO CC(C)OCCC[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000876752147 642994254 /nfs/dbraw/zinc/99/42/54/642994254.db2.gz HYYMCQWGVRVQAN-UHFFFAOYSA-N 1 1 289.423 2.871 20 30 CFEDMO C#CCCCCCC[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000876764021 642999243 /nfs/dbraw/zinc/99/92/43/642999243.db2.gz KEOIWUSSFFGVMK-CVEARBPZSA-N 1 1 250.430 2.985 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCC[C@H]1CC(=O)OC ZINC000876764668 642999266 /nfs/dbraw/zinc/99/92/66/642999266.db2.gz PUZMNDUBPMPXFM-AWEZNQCLSA-N 1 1 251.370 2.598 20 30 CFEDMO C#CCCCCCC[N@@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000876794560 643011636 /nfs/dbraw/zinc/01/16/36/643011636.db2.gz BDTKBNJSDWSYDM-ZDUSSCGKSA-N 1 1 279.384 2.793 20 30 CFEDMO C#CCCCCCC[N@H+](C)Cc1nc([C@H](C)OC)no1 ZINC000876794560 643011639 /nfs/dbraw/zinc/01/16/39/643011639.db2.gz BDTKBNJSDWSYDM-ZDUSSCGKSA-N 1 1 279.384 2.793 20 30 CFEDMO C#CCCCCCC[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000876796788 643013156 /nfs/dbraw/zinc/01/31/56/643013156.db2.gz JCDOARFGPZORFH-INIZCTEOSA-N 1 1 273.424 2.868 20 30 CFEDMO C#CCCCCCC[N@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000876809676 643018974 /nfs/dbraw/zinc/01/89/74/643018974.db2.gz WYNLPORDGJVMPZ-INIZCTEOSA-N 1 1 289.423 2.984 20 30 CFEDMO C#CCCCCCC[N@@H+]1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000876809676 643018981 /nfs/dbraw/zinc/01/89/81/643018981.db2.gz WYNLPORDGJVMPZ-INIZCTEOSA-N 1 1 289.423 2.984 20 30 CFEDMO C#CC[C@H]([NH2+]Cc1cc2c(cn1)OCCO2)c1ccccc1 ZINC000877120187 643160560 /nfs/dbraw/zinc/16/05/60/643160560.db2.gz PJEMXAORCPLAPO-INIZCTEOSA-N 1 1 294.354 2.707 20 30 CFEDMO Cc1sccc1NC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000877197719 643199075 /nfs/dbraw/zinc/19/90/75/643199075.db2.gz WJPOFPUXDJOGDV-OAHLLOKOSA-N 1 1 297.383 2.754 20 30 CFEDMO Cc1cc(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cs1 ZINC000877204543 643202944 /nfs/dbraw/zinc/20/29/44/643202944.db2.gz HLFSGWPKCJIDLV-HNNXBMFYSA-N 1 1 297.383 2.754 20 30 CFEDMO C#CCCCCCC[N@H+](C)C1CCC(NC(C)=O)CC1 ZINC000877315556 643234781 /nfs/dbraw/zinc/23/47/81/643234781.db2.gz ZCNMJQQKNNYLSE-UHFFFAOYSA-N 1 1 278.440 2.949 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1cc(F)ccc1N(C)C ZINC000877473034 643292124 /nfs/dbraw/zinc/29/21/24/643292124.db2.gz GUCGCIJMQFOBOJ-UHFFFAOYSA-N 1 1 266.360 2.526 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GCQXSHAQOWZPEK-MNOVXSKESA-N 1 1 298.333 2.904 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCc3ccccc32)[C@H]1C ZINC001088664711 778380442 /nfs/dbraw/zinc/38/04/42/778380442.db2.gz FMZXYRSYNIQVOL-OLMNPRSZSA-N 1 1 298.430 2.872 20 30 CFEDMO C=C(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2C1 ZINC001142511918 778396883 /nfs/dbraw/zinc/39/68/83/778396883.db2.gz YLGMXIJEVVHHED-MSOLQXFVSA-N 1 1 298.430 2.933 20 30 CFEDMO C=CCCCC[N@H+](C)Cc1cc(C(=O)OC)ccn1 ZINC001235209650 778414903 /nfs/dbraw/zinc/41/49/03/778414903.db2.gz KLNKROHKXRDBDH-UHFFFAOYSA-N 1 1 262.353 2.656 20 30 CFEDMO C#CCC1(C(=O)N(C)C[C@H]2CC[N@H+]2CC=C(C)C)CCC1 ZINC001235210807 778416787 /nfs/dbraw/zinc/41/67/87/778416787.db2.gz XCGMUWYFTGIKAK-MRXNPFEDSA-N 1 1 288.435 2.679 20 30 CFEDMO C=CCCO[C@H](C)C(=O)NCCC[N@H+](C)[C@H](C)CCC=C ZINC001235217129 778418179 /nfs/dbraw/zinc/41/81/79/778418179.db2.gz WIDBSSRCEADRGL-HZPDHXFCSA-N 1 1 296.455 2.760 20 30 CFEDMO C#CCC1(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCCCC)CCC1 ZINC001235227576 778422155 /nfs/dbraw/zinc/42/21/55/778422155.db2.gz VDDZULLNEKLUBQ-INIZCTEOSA-N 1 1 290.451 2.903 20 30 CFEDMO CC(C)[NH+]1CC(Nc2ncc3ccccc3c2C#N)C1 ZINC001168312607 778424269 /nfs/dbraw/zinc/42/42/69/778424269.db2.gz CCOGNHLBMOBGBS-UHFFFAOYSA-N 1 1 266.348 2.611 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](OCC)C(C)C ZINC001235259961 778436943 /nfs/dbraw/zinc/43/69/43/778436943.db2.gz FBRZCPNPJAGJKI-CVEARBPZSA-N 1 1 296.455 2.546 20 30 CFEDMO CCCC[C@H](CC)C[N@H+]1CCO[C@H]2CN(CCC#N)C[C@@H]21 ZINC001277936872 778456052 /nfs/dbraw/zinc/45/60/52/778456052.db2.gz SGHAZPAWCHMRIM-ULQDDVLXSA-N 1 1 293.455 2.501 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CCC)[C@H]1C ZINC001088730624 778460849 /nfs/dbraw/zinc/46/08/49/778460849.db2.gz LNGXPULGCTYVIV-QAPCUYQASA-N 1 1 298.430 2.855 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)[C@H]1C ZINC001088763531 778482346 /nfs/dbraw/zinc/48/23/46/778482346.db2.gz MJNFBRGPIOIKQT-CWVYHPPDSA-N 1 1 276.424 2.578 20 30 CFEDMO 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RCAZWZXFYUEETM-MRXNPFEDSA-N 1 1 294.345 2.819 20 30 CFEDMO CC1(C)C[N@@H+](Cc2c(F)cc(C#N)cc2F)[C@@](C)(CO)C1 ZINC001235651909 778529755 /nfs/dbraw/zinc/52/97/55/778529755.db2.gz RCAZWZXFYUEETM-MRXNPFEDSA-N 1 1 294.345 2.819 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3C[C@@H]3C)C2)C1 ZINC001040341460 778555326 /nfs/dbraw/zinc/55/53/26/778555326.db2.gz SLSKFJBRNGYYEL-YQQAZPJKSA-N 1 1 276.424 2.533 20 30 CFEDMO C=C(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC34CCC4)[C@@H]2C1 ZINC001076300074 778581999 /nfs/dbraw/zinc/58/19/99/778581999.db2.gz WUYKLHYXZVSANO-HRCADAONSA-N 1 1 288.435 2.676 20 30 CFEDMO C=CCc1cccc(C[N@@H+]2CCN[C@@H](CC(C)C)C2)c1O ZINC001235881834 778589505 /nfs/dbraw/zinc/58/95/05/778589505.db2.gz QYUTUIOPISUFOX-KRWDZBQOSA-N 1 1 288.435 2.941 20 30 CFEDMO C=CCc1cccc(C[N@H+]2CCN[C@@H](CC(C)C)C2)c1O ZINC001235881834 778589508 /nfs/dbraw/zinc/58/95/08/778589508.db2.gz QYUTUIOPISUFOX-KRWDZBQOSA-N 1 1 288.435 2.941 20 30 CFEDMO 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C=C(C)CC[NH+]1CC(NC(=O)[C@@]2(C)CCC[C@H]2CC)C1 ZINC001030530931 778900997 /nfs/dbraw/zinc/90/09/97/778900997.db2.gz ZHGKVCRVNCTHGX-PBHICJAKSA-N 1 1 278.440 2.969 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCC[C@@H]2CCC)C1 ZINC001030567903 778909727 /nfs/dbraw/zinc/90/97/27/778909727.db2.gz BKYQOABFCKGCFK-GOEBONIOSA-N 1 1 278.440 2.969 20 30 CFEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C/C ZINC001099016830 778914091 /nfs/dbraw/zinc/91/40/91/778914091.db2.gz NVVIETCMSVZFMI-KEQVLUGWSA-N 1 1 276.424 2.583 20 30 CFEDMO CC#CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)/C(C)=C\C ZINC001099016832 778914557 /nfs/dbraw/zinc/91/45/57/778914557.db2.gz NVVIETCMSVZFMI-XIEDVDOYSA-N 1 1 276.424 2.583 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccc3cc[nH]c32)[C@H]1C ZINC001088870258 778922301 /nfs/dbraw/zinc/92/23/01/778922301.db2.gz BVPSZZSBXIZMGA-CJNGLKHVSA-N 1 1 297.402 2.937 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)[C@H]1C ZINC001088911315 778944669 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ZINC001046802773 779381580 /nfs/dbraw/zinc/38/15/80/779381580.db2.gz MJPAGRNTXVFJOU-AWEZNQCLSA-N 1 1 298.358 2.513 20 30 CFEDMO CCc1cc(C[N@H+]2CC[C@]3(CCOC3)C2)ccc1C#N ZINC001238760345 779383171 /nfs/dbraw/zinc/38/31/71/779383171.db2.gz IBIUXRMGIZDMRN-KRWDZBQOSA-N 1 1 270.376 2.733 20 30 CFEDMO CCc1cc(C[N@H+]2C[C@@H]3OCC(F)(F)[C@@H]3C2)ccc1C#N ZINC001238760402 779383290 /nfs/dbraw/zinc/38/32/90/779383290.db2.gz KFIXJCMITYXHML-CABCVRRESA-N 1 1 292.329 2.587 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)C(C)(C)c2ccc(C)cc2)C1 ZINC001031279241 779383423 /nfs/dbraw/zinc/38/34/23/779383423.db2.gz SSQIFUFPIJOTDJ-UHFFFAOYSA-N 1 1 286.419 2.649 20 30 CFEDMO CCc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)ccc1C#N ZINC001238761332 779383672 /nfs/dbraw/zinc/38/36/72/779383672.db2.gz UGNAGHYHLDVOCC-MSOLQXFVSA-N 1 1 283.419 2.504 20 30 CFEDMO CCc1cc(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)ccc1C#N ZINC001238762232 779384031 /nfs/dbraw/zinc/38/40/31/779384031.db2.gz BFCCKDPXCFYWRZ-GUYCJALGSA-N 1 1 272.392 2.713 20 30 CFEDMO CCc1cc(C[N@H+]2CCC[C@H](C(=O)OC)C2)ccc1C#N ZINC001238767733 779385569 /nfs/dbraw/zinc/38/55/69/779385569.db2.gz ZZRXXBCSFCMEEL-INIZCTEOSA-N 1 1 286.375 2.506 20 30 CFEDMO CCc1cc(C[N@@H+](CC)CCC(=O)OC)ccc1C#N ZINC001238769791 779386637 /nfs/dbraw/zinc/38/66/37/779386637.db2.gz UYOYYXRIPNYMDL-UHFFFAOYSA-N 1 1 274.364 2.506 20 30 CFEDMO CCc1cc(CN2C[C@H]3CCC[N@@H+](C)[C@H]3C2)ccc1C#N ZINC001238768619 779387012 /nfs/dbraw/zinc/38/70/12/779387012.db2.gz LSCLKLCYNUIBCH-MSOLQXFVSA-N 1 1 283.419 2.647 20 30 CFEDMO CCc1cc(C[N@@H+]2C[C@H]3CCCN(C)[C@H]3C2)ccc1C#N ZINC001238768619 779387016 /nfs/dbraw/zinc/38/70/16/779387016.db2.gz LSCLKLCYNUIBCH-MSOLQXFVSA-N 1 1 283.419 2.647 20 30 CFEDMO CCc1cc(C[N@H+]2C[C@H]3CCCN(C)[C@H]3C2)ccc1C#N ZINC001238768619 779387021 /nfs/dbraw/zinc/38/70/21/779387021.db2.gz LSCLKLCYNUIBCH-MSOLQXFVSA-N 1 1 283.419 2.647 20 30 CFEDMO CCc1cc(C[N@H+]2CC[C@@H](C(C)=O)C2)ccc1C#N ZINC001238768153 779387135 /nfs/dbraw/zinc/38/71/35/779387135.db2.gz GJWOIIKXQFVOGS-MRXNPFEDSA-N 1 1 256.349 2.532 20 30 CFEDMO CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(C#N)c(CC)c2)C1 ZINC001238768190 779387160 /nfs/dbraw/zinc/38/71/60/779387160.db2.gz GVDPPXJCLWLWQU-INIZCTEOSA-N 1 1 286.375 2.506 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(Cl)s2)C1 ZINC001046821034 779387218 /nfs/dbraw/zinc/38/72/18/779387218.db2.gz PWNHOQYYPVZQJP-CQSZACIVSA-N 1 1 296.823 2.619 20 30 CFEDMO CC#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(Cl)s2)C1 ZINC001046821034 779387222 /nfs/dbraw/zinc/38/72/22/779387222.db2.gz PWNHOQYYPVZQJP-CQSZACIVSA-N 1 1 296.823 2.619 20 30 CFEDMO CCc1cc(C[N@H+]2C[C@H](C(=O)OC)C3(CC3)C2)ccc1C#N ZINC001238772314 779388229 /nfs/dbraw/zinc/38/82/29/779388229.db2.gz OFTLPZSJPOVCCY-MRXNPFEDSA-N 1 1 298.386 2.506 20 30 CFEDMO CCc1cc(C[N@@H+](C)[C@H]2CCCOC2)ccc1C#N ZINC001238773573 779388789 /nfs/dbraw/zinc/38/87/89/779388789.db2.gz ZSXYJYYDSCOLMW-INIZCTEOSA-N 1 1 258.365 2.731 20 30 CFEDMO CCc1cc(C[N@@H+]2CCOC[C@H]2C(C)C)ccc1C#N ZINC001238777676 779389696 /nfs/dbraw/zinc/38/96/96/779389696.db2.gz FXTPNZJWWHMTFA-KRWDZBQOSA-N 1 1 272.392 2.977 20 30 CFEDMO CCc1cc(C[N@H+]2CCOC[C@H]2C(C)C)ccc1C#N ZINC001238777676 779389699 /nfs/dbraw/zinc/38/96/99/779389699.db2.gz FXTPNZJWWHMTFA-KRWDZBQOSA-N 1 1 272.392 2.977 20 30 CFEDMO CCc1cc(C[N@H+]2CCC[C@]3(CCO3)C2)ccc1C#N ZINC001238779061 779390518 /nfs/dbraw/zinc/39/05/18/779390518.db2.gz UACDJKMDQSQCNB-KRWDZBQOSA-N 1 1 270.376 2.876 20 30 CFEDMO C=CC[NH+]1CCN(Cc2cc(Cl)c(OC)cc2F)CC1 ZINC001238790789 779395068 /nfs/dbraw/zinc/39/50/68/779395068.db2.gz RSNDKAXUAVIDOE-UHFFFAOYSA-N 1 1 298.789 2.791 20 30 CFEDMO C#CC1CC[NH+](Cc2cc(OC(C)C)ncc2F)CC1 ZINC001238798206 779395727 /nfs/dbraw/zinc/39/57/27/779395727.db2.gz CWZQYLWEXLPLTE-UHFFFAOYSA-N 1 1 276.355 2.853 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C2CCC=CCC2)C1 ZINC001046845594 779396982 /nfs/dbraw/zinc/39/69/82/779396982.db2.gz YROBWPDDKUDBOB-QGZVFWFLSA-N 1 1 276.424 2.890 20 30 CFEDMO CC#CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC2(C)C)CC(C)(C)C1 ZINC001089363402 779425969 /nfs/dbraw/zinc/42/59/69/779425969.db2.gz PVKXXXJXFLSZAZ-LSDHHAIUSA-N 1 1 290.451 2.663 20 30 CFEDMO C[N@H+]1CCc2ccc(-c3cnc(C#N)c(F)c3)cc2C1 ZINC001238996649 779437351 /nfs/dbraw/zinc/43/73/51/779437351.db2.gz YFLXENBYVUENMJ-UHFFFAOYSA-N 1 1 267.307 2.747 20 30 CFEDMO C=C(CC)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001123665123 779441508 /nfs/dbraw/zinc/44/15/08/779441508.db2.gz GKJJLDMDWDQPIS-MRXNPFEDSA-N 1 1 272.392 2.686 20 30 CFEDMO C=C(CC(C)C)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC001123775619 779458528 /nfs/dbraw/zinc/45/85/28/779458528.db2.gz ZSGQGQSONVKLLA-INIZCTEOSA-N 1 1 272.392 2.892 20 30 CFEDMO C=C(CC(C)C)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC001123775619 779458535 /nfs/dbraw/zinc/45/85/35/779458535.db2.gz ZSGQGQSONVKLLA-INIZCTEOSA-N 1 1 272.392 2.892 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C3CC3)CC2)CC(C)(C)C1 ZINC001089418644 779460188 /nfs/dbraw/zinc/46/01/88/779460188.db2.gz ROYKHEFFWVCCSH-HNNXBMFYSA-N 1 1 290.451 2.969 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2CCCC(C)(C)C2)C1 ZINC001031455389 779462730 /nfs/dbraw/zinc/46/27/30/779462730.db2.gz NZZWUAGZNADWMP-CQSZACIVSA-N 1 1 278.440 2.969 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccoc2C(C)C)C1 ZINC001031463749 779465015 /nfs/dbraw/zinc/46/50/15/779465015.db2.gz WNCRBZLAOOZVKN-UHFFFAOYSA-N 1 1 276.380 2.783 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)C2(C)CCC2)CC(C)(C)C1 ZINC001089460133 779484134 /nfs/dbraw/zinc/48/41/34/779484134.db2.gz FWIFSARMFPMOAR-AWEZNQCLSA-N 1 1 278.440 2.969 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC2(C)C)CC(C)(C)C1 ZINC001089464917 779489768 /nfs/dbraw/zinc/48/97/68/779489768.db2.gz MBECZAMRANYPSI-HUUCEWRRSA-N 1 1 290.451 2.663 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CC3)CC(C)(C)C1 ZINC001089502266 779499431 /nfs/dbraw/zinc/49/94/31/779499431.db2.gz NMMGAGCSBYZNDO-LSDHHAIUSA-N 1 1 290.451 2.969 20 30 CFEDMO CC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1Cc1ccccc1C#N ZINC001089599477 779537787 /nfs/dbraw/zinc/53/77/87/779537787.db2.gz XHKCFWOQKUBHJX-QGZVFWFLSA-N 1 1 299.418 2.685 20 30 CFEDMO CC(=O)NC[C@H]1CCC(C)(C)C[N@H+]1Cc1ccccc1C#N ZINC001089599477 779537789 /nfs/dbraw/zinc/53/77/89/779537789.db2.gz XHKCFWOQKUBHJX-QGZVFWFLSA-N 1 1 299.418 2.685 20 30 CFEDMO C#CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1ccccc1 ZINC001089602188 779538028 /nfs/dbraw/zinc/53/80/28/779538028.db2.gz YNUIGPBXBJBOBT-MRXNPFEDSA-N 1 1 284.403 2.540 20 30 CFEDMO C=C(C)CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)C1CC1 ZINC001089601045 779539553 /nfs/dbraw/zinc/53/95/53/779539553.db2.gz UGVLUHIRMOBBRQ-OAHLLOKOSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccoc1C ZINC001089608031 779544318 /nfs/dbraw/zinc/54/43/18/779544318.db2.gz VXEXXLOMVKYRPF-AWEZNQCLSA-N 1 1 290.407 2.994 20 30 CFEDMO C=CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cncs1 ZINC001089616392 779545374 /nfs/dbraw/zinc/54/53/74/779545374.db2.gz GCFKMBWBKOLUAP-GFCCVEGCSA-N 1 1 293.436 2.550 20 30 CFEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cncs1 ZINC001089616392 779545380 /nfs/dbraw/zinc/54/53/80/779545380.db2.gz GCFKMBWBKOLUAP-GFCCVEGCSA-N 1 1 293.436 2.550 20 30 CFEDMO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001089671124 779559703 /nfs/dbraw/zinc/55/97/03/779559703.db2.gz LQZHWFBSOOUCDK-CYBMUJFWSA-N 1 1 293.386 2.560 20 30 CFEDMO C=CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1cc(C)co1 ZINC001089685314 779566214 /nfs/dbraw/zinc/56/62/14/779566214.db2.gz BFEZIJWWWQLGRJ-AWEZNQCLSA-N 1 1 290.407 2.994 20 30 CFEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC001089686454 779566683 /nfs/dbraw/zinc/56/66/83/779566683.db2.gz UBXVGOCJUQFCJK-JJXSEGSLSA-N 1 1 290.451 2.825 20 30 CFEDMO C#CCC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@@H]1C[C@H]1CC ZINC001089699726 779571472 /nfs/dbraw/zinc/57/14/72/779571472.db2.gz QEJVBYLXVOURQA-OWCLPIDISA-N 1 1 290.451 2.663 20 30 CFEDMO C=C(C)C[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)[C@H]1CC12CC2 ZINC001089701046 779572704 /nfs/dbraw/zinc/57/27/04/779572704.db2.gz IATXJXGHSVXYRF-LSDHHAIUSA-N 1 1 290.451 2.969 20 30 CFEDMO C=CCC[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CCC ZINC001089759315 779585404 /nfs/dbraw/zinc/58/54/04/779585404.db2.gz XXYDBPHFWBCVLN-FZKCQIBNSA-N 1 1 276.424 2.531 20 30 CFEDMO C=C(C)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC(C)C ZINC001089761055 779586127 /nfs/dbraw/zinc/58/61/27/779586127.db2.gz RBYNUNNGWKUODS-HZMVEIRTSA-N 1 1 290.451 2.777 20 30 CFEDMO C=C(C)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C=C(C)C ZINC001089762005 779586444 /nfs/dbraw/zinc/58/64/44/779586444.db2.gz CFYIFXSIFOZMPN-NXOAAHMSSA-N 1 1 288.435 2.698 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC(C)C)C1 ZINC001089761057 779586578 /nfs/dbraw/zinc/58/65/78/779586578.db2.gz RBYNUNNGWKUODS-QAETUUGQSA-N 1 1 290.451 2.777 20 30 CFEDMO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)C(F)=C(C)C ZINC001089790722 779601167 /nfs/dbraw/zinc/60/11/67/779601167.db2.gz WJBLNYIOCFNTTB-YJNKXOJESA-N 1 1 292.398 2.605 20 30 CFEDMO C#CCCC[C@H]([NH3+])c1nc(-c2ccccc2C(C)=O)no1 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C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(C)C)s2)C1 ZINC001033696762 780751808 /nfs/dbraw/zinc/75/18/08/780751808.db2.gz PCOVTUNFZNZFHQ-CYBMUJFWSA-N 1 1 290.432 2.651 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C(C)C)s2)C1 ZINC001033696762 780751814 /nfs/dbraw/zinc/75/18/14/780751814.db2.gz PCOVTUNFZNZFHQ-CYBMUJFWSA-N 1 1 290.432 2.651 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccoc2C(C)C)C1 ZINC001033695062 780752658 /nfs/dbraw/zinc/75/26/58/780752658.db2.gz WIMORPZGSIHYMB-ZDUSSCGKSA-N 1 1 276.380 2.735 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)c2cccnc2)C1 ZINC001033728831 780765385 /nfs/dbraw/zinc/76/53/85/780765385.db2.gz UAZPYGMETQNACK-INIZCTEOSA-N 1 1 287.407 2.584 20 30 CFEDMO COc1cc(C(F)(F)F)c(C#N)c(C2=CC[N@@H+](C)CC2)n1 ZINC001241310804 780772389 /nfs/dbraw/zinc/77/23/89/780772389.db2.gz LRZDHWQKUKRVRD-UHFFFAOYSA-N 1 1 297.280 2.700 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccccc2O)C1 ZINC001033749278 780777686 /nfs/dbraw/zinc/77/76/86/780777686.db2.gz FNCWIQKWIPZDKG-AWEZNQCLSA-N 1 1 288.391 2.505 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccc[nH]2)C1 ZINC001033750519 780778005 /nfs/dbraw/zinc/77/80/05/780778005.db2.gz UBEYYNICUMXINE-CQSZACIVSA-N 1 1 275.396 2.517 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC=CCC2)C1 ZINC001033753676 780778997 /nfs/dbraw/zinc/77/89/97/780778997.db2.gz SVBQTZZKGJSABZ-JKSUJKDBSA-N 1 1 276.424 2.842 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2C(C)(C)C2(C)C)C1 ZINC001033788620 780786835 /nfs/dbraw/zinc/78/68/35/780786835.db2.gz INRJMSWWHRBICO-CQSZACIVSA-N 1 1 290.451 2.615 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2ccoc2CC)C1 ZINC001033808963 780794747 /nfs/dbraw/zinc/79/47/47/780794747.db2.gz GXSHLPCSFGRIFC-CYBMUJFWSA-N 1 1 276.380 2.564 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccncc2C)C1 ZINC001033832376 780803290 /nfs/dbraw/zinc/80/32/90/780803290.db2.gz QJAXKMMPMYFROQ-HNNXBMFYSA-N 1 1 287.407 2.503 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033926423 780824331 /nfs/dbraw/zinc/82/43/31/780824331.db2.gz JQEZHHIFNNXUEL-MRXNPFEDSA-N 1 1 288.435 2.513 20 30 CFEDMO C#Cc1ccc(C(=O)N(CC)[C@H]2CC[N@@H+](CCC=C)C2)cc1 ZINC001033923323 780826453 /nfs/dbraw/zinc/82/64/53/780826453.db2.gz QWLURTRMBIPGMS-SFHVURJKSA-N 1 1 296.414 2.780 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033921815 780827431 /nfs/dbraw/zinc/82/74/31/780827431.db2.gz GFBMMZJSBKQNAO-MRXNPFEDSA-N 1 1 288.435 2.513 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc[nH]c2C(C)C)C1 ZINC001033931611 780828862 /nfs/dbraw/zinc/82/88/62/780828862.db2.gz ODPBDDMLRUCLFR-CQSZACIVSA-N 1 1 289.423 2.861 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC23CC3)C1 ZINC001033975935 780846110 /nfs/dbraw/zinc/84/61/10/780846110.db2.gz QRYQUQXFQUFRJR-CABCVRRESA-N 1 1 276.424 2.676 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001033985057 780847347 /nfs/dbraw/zinc/84/73/47/780847347.db2.gz GNTBPEBSIZOWCQ-IXDOHACOSA-N 1 1 290.451 2.922 20 30 CFEDMO Cc1ccc(C[NH2+]C2CCN(C(C)C)CC2)cc1C#N ZINC000701881665 780850364 /nfs/dbraw/zinc/85/03/64/780850364.db2.gz XHZHJDNHQJCGSS-UHFFFAOYSA-N 1 1 271.408 2.829 20 30 CFEDMO CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)ccc2C)C1 ZINC001034026553 780858655 /nfs/dbraw/zinc/85/86/55/780858655.db2.gz SOXKUASFOMXFPQ-QGZVFWFLSA-N 1 1 298.430 2.863 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[C@H](C)CC2)C1 ZINC001034027174 780859391 /nfs/dbraw/zinc/85/93/91/780859391.db2.gz VROFYMARMYANQX-BZUAXINKSA-N 1 1 278.440 2.922 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc(C)c(C)c2)C1 ZINC001034032134 780861187 /nfs/dbraw/zinc/86/11/87/780861187.db2.gz MEUIJLAGOFNUEZ-SFHVURJKSA-N 1 1 298.430 2.863 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccc3c(c2)CCC3)C1 ZINC001034039040 780862318 /nfs/dbraw/zinc/86/23/18/780862318.db2.gz IVFCNJRGHSMEMU-SFHVURJKSA-N 1 1 298.430 2.898 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)c2cccc(F)c2)C1 ZINC001034080216 780880442 /nfs/dbraw/zinc/88/04/42/780880442.db2.gz JWTTZWLCDGIACQ-INIZCTEOSA-N 1 1 290.382 2.986 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)Cc2ccsc2)C1 ZINC001034089545 780884414 /nfs/dbraw/zinc/88/44/14/780884414.db2.gz DEBCKDQUOOPICE-OAHLLOKOSA-N 1 1 292.448 2.837 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)C2CCCCC2)C1 ZINC001034082962 780885469 /nfs/dbraw/zinc/88/54/69/780885469.db2.gz OGCWPJXMPYZSOZ-HNNXBMFYSA-N 1 1 264.413 2.723 20 30 CFEDMO C=C(C)CC[N@@H+]1CCCC[C@@H](NC(=O)c2cccn2C)C1 ZINC001034103225 780893551 /nfs/dbraw/zinc/89/35/51/780893551.db2.gz BTGFPNCXJIKLAG-OAHLLOKOSA-N 1 1 289.423 2.576 20 30 CFEDMO CC(C)C(=O)N[C@H]1CCCC[N@H+](CC#Cc2ccccc2)C1 ZINC001034113017 780898116 /nfs/dbraw/zinc/89/81/16/780898116.db2.gz FEWJGIMHOLLJPA-SFHVURJKSA-N 1 1 298.430 2.665 20 30 CFEDMO CC(C)C(=O)N[C@H]1CCCC[N@@H+](CC#Cc2ccccc2)C1 ZINC001034113017 780898128 /nfs/dbraw/zinc/89/81/28/780898128.db2.gz FEWJGIMHOLLJPA-SFHVURJKSA-N 1 1 298.430 2.665 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)CC2=CCCCC2)C1 ZINC001034133964 780903789 /nfs/dbraw/zinc/90/37/89/780903789.db2.gz XDXKXETXAYACQH-KRWDZBQOSA-N 1 1 288.435 2.871 20 30 CFEDMO CC#CC[N@H+]1CCCC[C@H](NC(=O)C2CCCCCC2)C1 ZINC001034133635 780903933 /nfs/dbraw/zinc/90/39/33/780903933.db2.gz XZVOGXGXJGLFGI-KRWDZBQOSA-N 1 1 290.451 2.951 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001034159309 780904875 /nfs/dbraw/zinc/90/48/75/780904875.db2.gz LUWPPBKOKIYOFA-MWDXBVQZSA-N 1 1 290.451 2.969 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001034160613 780906041 /nfs/dbraw/zinc/90/60/41/780906041.db2.gz QYLXYKORUHYWKQ-CQSZACIVSA-N 1 1 282.815 2.820 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001034160613 780906051 /nfs/dbraw/zinc/90/60/51/780906051.db2.gz QYLXYKORUHYWKQ-CQSZACIVSA-N 1 1 282.815 2.820 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001034160612 780906650 /nfs/dbraw/zinc/90/66/50/780906650.db2.gz QYLXYKORUHYWKQ-AWEZNQCLSA-N 1 1 282.815 2.820 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001034160612 780906655 /nfs/dbraw/zinc/90/66/55/780906655.db2.gz QYLXYKORUHYWKQ-AWEZNQCLSA-N 1 1 282.815 2.820 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)c2cc[nH]c2C)C1 ZINC001034150797 780908317 /nfs/dbraw/zinc/90/83/17/780908317.db2.gz UBJIIUFMWQTDSB-CYBMUJFWSA-N 1 1 295.814 2.660 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)c2cc[nH]c2C)C1 ZINC001034150797 780908323 /nfs/dbraw/zinc/90/83/23/780908323.db2.gz UBJIIUFMWQTDSB-CYBMUJFWSA-N 1 1 295.814 2.660 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001034154019 780909725 /nfs/dbraw/zinc/90/97/25/780909725.db2.gz IHCWGPBDKLAHJU-KRWDZBQOSA-N 1 1 288.435 2.871 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2cscc2C)C1 ZINC001034164831 780913534 /nfs/dbraw/zinc/91/35/34/780913534.db2.gz TVDQUNJNVONNCP-AWEZNQCLSA-N 1 1 290.432 2.664 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001034166004 780913630 /nfs/dbraw/zinc/91/36/30/780913630.db2.gz YWSXNTKNMSQZIA-UKRRQHHQSA-N 1 1 264.413 2.579 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)c2csnc2C)C1 ZINC001034171797 780915688 /nfs/dbraw/zinc/91/56/88/780915688.db2.gz ZPROIQLYWMOWKI-CYBMUJFWSA-N 1 1 293.436 2.612 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC3(CC3)C2)C1 ZINC001034203276 780920084 /nfs/dbraw/zinc/92/00/84/780920084.db2.gz CVPDVRNGIWKVJE-JKSUJKDBSA-N 1 1 288.435 2.561 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001034198852 780921367 /nfs/dbraw/zinc/92/13/67/780921367.db2.gz OQJAHCJJFPAGPJ-OLZOCXBDSA-N 1 1 286.366 2.579 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@H](NC(=O)C2(C)CC2)C1 ZINC001034224995 780929538 /nfs/dbraw/zinc/92/95/38/780929538.db2.gz CGPIQTARZAHHSB-LBPRGKRZSA-N 1 1 270.804 2.510 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@H](NC(=O)C2(C)CC2)C1 ZINC001034224995 780929546 /nfs/dbraw/zinc/92/95/46/780929546.db2.gz CGPIQTARZAHHSB-LBPRGKRZSA-N 1 1 270.804 2.510 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001034261061 780932664 /nfs/dbraw/zinc/93/26/64/780932664.db2.gz QYUGGKRCDBGRFU-CHWSQXEVSA-N 1 1 286.366 2.579 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2ccsn2)C1 ZINC001034263801 780934168 /nfs/dbraw/zinc/93/41/68/780934168.db2.gz DOXJNYLXMRMMNP-CYBMUJFWSA-N 1 1 293.436 2.694 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC=CCCC2)C1 ZINC001034266070 780935648 /nfs/dbraw/zinc/93/56/48/780935648.db2.gz NDEVPOQPUCIERU-SJORKVTESA-N 1 1 288.435 2.727 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(CC)o2)C1 ZINC001034273493 780936857 /nfs/dbraw/zinc/93/68/57/780936857.db2.gz SMCCFFHVMXMQKF-ZDUSSCGKSA-N 1 1 276.380 2.612 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H](NC(=O)C2(F)CCCC2)C1 ZINC001034279923 780938073 /nfs/dbraw/zinc/93/80/73/780938073.db2.gz RIHYZUYUQXFFTG-CQSZACIVSA-N 1 1 282.403 2.816 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2c(C)oc(C)c2C)C1 ZINC001034298217 780940282 /nfs/dbraw/zinc/94/02/82/780940282.db2.gz LIXIBLIMMWQFDL-OAHLLOKOSA-N 1 1 290.407 2.975 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001034313664 780943105 /nfs/dbraw/zinc/94/31/05/780943105.db2.gz FBQDEIYPZSBECC-CQSZACIVSA-N 1 1 293.386 2.704 20 30 CFEDMO N#Cc1nccnc1C1=CC[N@@H+](Cc2ccccc2)CC1 ZINC001241501621 780945601 /nfs/dbraw/zinc/94/56/01/780945601.db2.gz PFNJLERATBWNOU-UHFFFAOYSA-N 1 1 276.343 2.638 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001034323110 780947179 /nfs/dbraw/zinc/94/71/79/780947179.db2.gz GUZPISHSDJXIMB-IIAWOOMASA-N 1 1 296.842 2.900 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@]23C[C@H]2CCC3)C1 ZINC001034323110 780947187 /nfs/dbraw/zinc/94/71/87/780947187.db2.gz GUZPISHSDJXIMB-IIAWOOMASA-N 1 1 296.842 2.900 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)C2(C3CC3)CCC2)C1 ZINC001034330793 780947621 /nfs/dbraw/zinc/94/76/21/780947621.db2.gz PHRMWHNYMJEINY-MRXNPFEDSA-N 1 1 288.435 2.561 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)c2occ3c2CCC3)C1 ZINC001034326450 780948961 /nfs/dbraw/zinc/94/89/61/780948961.db2.gz 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ZINC001034480205 780980817 /nfs/dbraw/zinc/98/08/17/780980817.db2.gz GYIGKSDTRFFGRT-ZBFHGGJFSA-N 1 1 278.440 2.969 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001034472947 780981595 /nfs/dbraw/zinc/98/15/95/780981595.db2.gz ARRIDQWFWDSDRK-GJZGRUSLSA-N 1 1 276.424 2.723 20 30 CFEDMO C=CC[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC23CCCC3)C1 ZINC001034472943 780982158 /nfs/dbraw/zinc/98/21/58/780982158.db2.gz ARRIDQWFWDSDRK-CABCVRRESA-N 1 1 276.424 2.723 20 30 CFEDMO C#Cc1ccccc1CC(=O)N[C@H]1CCCC[N@H+](CCC)C1 ZINC001034509094 780988187 /nfs/dbraw/zinc/98/81/87/780988187.db2.gz YCXLNOQVXURYFW-SFHVURJKSA-N 1 1 298.430 2.591 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H](NC(=O)c2coc3ccccc23)C1 ZINC001034548169 780996484 /nfs/dbraw/zinc/99/64/84/780996484.db2.gz AROGVJYHILVWEQ-CQSZACIVSA-N 1 1 296.370 2.650 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCCCC2(C)C)C1 ZINC001034544029 780997322 /nfs/dbraw/zinc/99/73/22/780997322.db2.gz LLWGUCYNDORTFS-JKSUJKDBSA-N 1 1 290.451 2.807 20 30 CFEDMO 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QNTVQCHIBJJOFO-SJORKVTESA-N 1 1 272.392 2.726 20 30 CFEDMO CCC[N@@H+](CCc1ccc(C#N)cc1)CC(C)(C)O ZINC000595303894 349596886 /nfs/dbraw/zinc/59/68/86/349596886.db2.gz PZDJRKKWZMAEPB-UHFFFAOYSA-N 1 1 260.381 2.584 20 30 CFEDMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCc1ccc(C#N)cc1 ZINC000595344126 349606494 /nfs/dbraw/zinc/60/64/94/349606494.db2.gz LXUDWSLUSHXXID-MSOLQXFVSA-N 1 1 283.419 2.659 20 30 CFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCc1ccc(C#N)cc1 ZINC000595344126 349606497 /nfs/dbraw/zinc/60/64/97/349606497.db2.gz LXUDWSLUSHXXID-MSOLQXFVSA-N 1 1 283.419 2.659 20 30 CFEDMO C[C@@H](C(=O)OC(C)(C)C)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595346833 349607929 /nfs/dbraw/zinc/60/79/29/349607929.db2.gz MECZLSDBGPLGPZ-ZDUSSCGKSA-N 1 1 288.391 2.763 20 30 CFEDMO C[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595346833 349607930 /nfs/dbraw/zinc/60/79/30/349607930.db2.gz MECZLSDBGPLGPZ-ZDUSSCGKSA-N 1 1 288.391 2.763 20 30 CFEDMO CCOC(=O)C[N@@H+](CCc1ccc(C#N)cc1)C(C)(C)C ZINC000595351781 349609864 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ZINC000595388195 349614406 /nfs/dbraw/zinc/61/44/06/349614406.db2.gz HMMHGLNVURPSDJ-DOMZBBRYSA-N 1 1 250.386 2.816 20 30 CFEDMO CO[C@@H](C[N@@H+](C[C@H](C)C#N)C1CC1)C1CCCC1 ZINC000595388195 349614409 /nfs/dbraw/zinc/61/44/09/349614409.db2.gz HMMHGLNVURPSDJ-DOMZBBRYSA-N 1 1 250.386 2.816 20 30 CFEDMO COc1cc([C@@H](C)[NH2+][C@@H](C)CC#N)cc(OC)c1OC ZINC000068610277 346861738 /nfs/dbraw/zinc/86/17/38/346861738.db2.gz JBUQXCBHNXTAMQ-WDEREUQCSA-N 1 1 278.352 2.665 20 30 CFEDMO C[C@H]1CCSCC[N@H+]1CCc1ccc(C#N)cc1 ZINC000595462197 349634734 /nfs/dbraw/zinc/63/47/34/349634734.db2.gz RRWLPYWDYISWMN-ZDUSSCGKSA-N 1 1 260.406 2.928 20 30 CFEDMO C[C@H]1COC(C)(C)C[N@H+]1CCc1ccc(C#N)cc1 ZINC000595459537 349633714 /nfs/dbraw/zinc/63/37/14/349633714.db2.gz APMYQCVGEJJFFZ-ZDUSSCGKSA-N 1 1 258.365 2.600 20 30 CFEDMO C[C@@H]1CSCC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595461493 349633923 /nfs/dbraw/zinc/63/39/23/349633923.db2.gz KVGHGRMOECBGOK-ZDUSSCGKSA-N 1 1 260.406 2.786 20 30 CFEDMO C[C@@H]1CN(CCc2ccc(C#N)cc2)CC[N@H+](C2CCC2)C1 ZINC000595500644 349643271 /nfs/dbraw/zinc/64/32/71/349643271.db2.gz FWMMWKARMIAVMU-MRXNPFEDSA-N 1 1 297.446 2.907 20 30 CFEDMO C[C@H]1CN(C2CCC2)CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595500644 349643277 /nfs/dbraw/zinc/64/32/77/349643277.db2.gz FWMMWKARMIAVMU-MRXNPFEDSA-N 1 1 297.446 2.907 20 30 CFEDMO C[C@H]1CN(C2CCC2)CC[N@@H+](CCc2ccc(C#N)cc2)C1 ZINC000595500644 349643281 /nfs/dbraw/zinc/64/32/81/349643281.db2.gz FWMMWKARMIAVMU-MRXNPFEDSA-N 1 1 297.446 2.907 20 30 CFEDMO C[N@H+]1CCC[C@]2(CC[NH+](CCc3ccc(C#N)cc3)C2)C1 ZINC000595504464 349644893 /nfs/dbraw/zinc/64/48/93/349644893.db2.gz CQHQQTOBUJRHKT-SFHVURJKSA-N 1 1 283.419 2.518 20 30 CFEDMO C[NH+]1CCC[C@]2(CC[N@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC000595504464 349644894 /nfs/dbraw/zinc/64/48/94/349644894.db2.gz CQHQQTOBUJRHKT-SFHVURJKSA-N 1 1 283.419 2.518 20 30 CFEDMO C[NH+]1CCC[C@]2(CC[N@@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC000595504464 349644896 /nfs/dbraw/zinc/64/48/96/349644896.db2.gz CQHQQTOBUJRHKT-SFHVURJKSA-N 1 1 283.419 2.518 20 30 CFEDMO CN1CCC[C@]2(CC[N@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC000595504464 349644897 /nfs/dbraw/zinc/64/48/97/349644897.db2.gz CQHQQTOBUJRHKT-SFHVURJKSA-N 1 1 283.419 2.518 20 30 CFEDMO CN1CCC[C@]2(CC[N@@H+](CCc3ccc(C#N)cc3)C2)C1 ZINC000595504464 349644898 /nfs/dbraw/zinc/64/48/98/349644898.db2.gz CQHQQTOBUJRHKT-SFHVURJKSA-N 1 1 283.419 2.518 20 30 CFEDMO C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCC(C)(C)C#N)C2 ZINC000595506535 349645939 /nfs/dbraw/zinc/64/59/39/349645939.db2.gz FBRUCSFXQPTRRO-INIZCTEOSA-N 1 1 263.429 2.734 20 30 CFEDMO C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCC(C)(C)C#N)C2 ZINC000595506535 349645942 /nfs/dbraw/zinc/64/59/42/349645942.db2.gz FBRUCSFXQPTRRO-INIZCTEOSA-N 1 1 263.429 2.734 20 30 CFEDMO CN1CC[C@]2(C1)CCC[N@H+](CCCC(C)(C)C#N)C2 ZINC000595506535 349645944 /nfs/dbraw/zinc/64/59/44/349645944.db2.gz FBRUCSFXQPTRRO-INIZCTEOSA-N 1 1 263.429 2.734 20 30 CFEDMO CN1CC[C@]2(C1)CCC[N@@H+](CCCC(C)(C)C#N)C2 ZINC000595506535 349645948 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N#Cc1cccc(C[N@@H+](C2CC2)C2(CO)CCC2)c1F ZINC000595534216 349653317 /nfs/dbraw/zinc/65/33/17/349653317.db2.gz QZCYWZXYWHSLKT-UHFFFAOYSA-N 1 1 274.339 2.577 20 30 CFEDMO N#Cc1ccc(F)c(C[N@@H+](C2CC2)C2(CO)CCC2)c1 ZINC000595541707 349654910 /nfs/dbraw/zinc/65/49/10/349654910.db2.gz URRAZYZUVQKVTO-UHFFFAOYSA-N 1 1 274.339 2.577 20 30 CFEDMO CO[C@H](C[N@@H+](C)[C@H](C)c1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000595551162 349657367 /nfs/dbraw/zinc/65/73/67/349657367.db2.gz VUDMDPZVEAYTEF-KBRIMQKVSA-N 1 1 288.391 2.603 20 30 CFEDMO N#Cc1ccc(OCC[N@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000595564314 349661638 /nfs/dbraw/zinc/66/16/38/349661638.db2.gz ZDZOAHXXBKIRHF-HOCLYGCPSA-N 1 1 256.349 2.811 20 30 CFEDMO CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC#N)C1)C(C)C ZINC000595610978 349674831 /nfs/dbraw/zinc/67/48/31/349674831.db2.gz FHYQRLFAMCHBTQ-CABCVRRESA-N 1 1 279.428 2.646 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CCCN(c3ccccc3)C2=O)C1 ZINC000595613744 349675653 /nfs/dbraw/zinc/67/56/53/349675653.db2.gz 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349677545 /nfs/dbraw/zinc/67/75/45/349677545.db2.gz PSDVUQKNDRQGLG-AWEZNQCLSA-N 1 1 257.381 2.878 20 30 CFEDMO CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595616746 349677772 /nfs/dbraw/zinc/67/77/72/349677772.db2.gz XDHLUVBTOVNNOO-HUUCEWRRSA-N 1 1 279.428 2.505 20 30 CFEDMO CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595616746 349677776 /nfs/dbraw/zinc/67/77/76/349677776.db2.gz XDHLUVBTOVNNOO-HUUCEWRRSA-N 1 1 279.428 2.505 20 30 CFEDMO CC(=O)Nc1cccc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595617500 349678917 /nfs/dbraw/zinc/67/89/17/349678917.db2.gz ZZTKJXAUZGETAI-CQSZACIVSA-N 1 1 271.364 2.771 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000595609089 349673279 /nfs/dbraw/zinc/67/32/79/349673279.db2.gz FXRZCWGCEPCXNV-HNNXBMFYSA-N 1 1 297.402 2.591 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](CC(=O)N2CCCc3ccccc32)C1 ZINC000595609089 349673284 /nfs/dbraw/zinc/67/32/84/349673284.db2.gz FXRZCWGCEPCXNV-HNNXBMFYSA-N 1 1 297.402 2.591 20 30 CFEDMO Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595608932 349673903 /nfs/dbraw/zinc/67/39/03/349673903.db2.gz CLMNEHIUXOPJOQ-LSDHHAIUSA-N 1 1 285.391 2.948 20 30 CFEDMO Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595608932 349673906 /nfs/dbraw/zinc/67/39/06/349673906.db2.gz CLMNEHIUXOPJOQ-LSDHHAIUSA-N 1 1 285.391 2.948 20 30 CFEDMO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(F)c1 ZINC000595620628 349679908 /nfs/dbraw/zinc/67/99/08/349679908.db2.gz NYHITMOHLKKRBJ-LBPRGKRZSA-N 1 1 290.338 2.738 20 30 CFEDMO COC(=O)c1ccc(C[N@H+]2CCC[C@@H](CC#N)C2)c(F)c1 ZINC000595620628 349679910 /nfs/dbraw/zinc/67/99/10/349679910.db2.gz NYHITMOHLKKRBJ-LBPRGKRZSA-N 1 1 290.338 2.738 20 30 CFEDMO CC(C)Oc1ccnc(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595623677 349680600 /nfs/dbraw/zinc/68/06/00/349680600.db2.gz WVVUQEASGRYOPT-CQSZACIVSA-N 1 1 273.380 2.994 20 30 CFEDMO CC(C)Oc1ccnc(C[N@H+]2CCC[C@H](CC#N)C2)c1 ZINC000595623677 349680603 /nfs/dbraw/zinc/68/06/03/349680603.db2.gz 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C=CCOc1cccc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c1 ZINC000668740253 539744727 /nfs/dbraw/zinc/74/47/27/539744727.db2.gz SCLMFFNMYNVWID-YOEHRIQHSA-N 1 1 275.392 2.702 20 30 CFEDMO C[N@H+](Cc1ccc(O[C@H]2CCOC2)cc1)CC(C)(C)C#N ZINC000597134728 350036191 /nfs/dbraw/zinc/03/61/91/350036191.db2.gz AVPDNWVOMSNIFC-INIZCTEOSA-N 1 1 288.391 2.836 20 30 CFEDMO C[N@@H+](Cc1ccc(O[C@H]2CCOC2)cc1)CC(C)(C)C#N ZINC000597134728 350036195 /nfs/dbraw/zinc/03/61/95/350036195.db2.gz AVPDNWVOMSNIFC-INIZCTEOSA-N 1 1 288.391 2.836 20 30 CFEDMO C=CCC[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)OCC ZINC000597151410 350039371 /nfs/dbraw/zinc/03/93/71/350039371.db2.gz KRLFIZJUKYCQAL-RFGFWPKPSA-N 1 1 251.370 2.663 20 30 CFEDMO Cn1ncc(C2CCC2)c1C[NH2+]CC1(C#N)CCCC1 ZINC000597159390 350042080 /nfs/dbraw/zinc/04/20/80/350042080.db2.gz ZWVUYIDGNPUJGT-UHFFFAOYSA-N 1 1 272.396 2.861 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)C1 ZINC000597173275 350043260 /nfs/dbraw/zinc/04/32/60/350043260.db2.gz 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SZBAKSYUHZVZRH-MLGOLLRUSA-N 1 1 284.363 2.574 20 30 CFEDMO COc1ccc([C@@H]([NH2+]C[C@@H](C#N)CCC#N)C2CC2)cn1 ZINC000599701258 350486247 /nfs/dbraw/zinc/48/62/47/350486247.db2.gz SZBAKSYUHZVZRH-WBMJQRKESA-N 1 1 284.363 2.574 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1cccc(C(=O)OCC)n1 ZINC000600107793 350510577 /nfs/dbraw/zinc/51/05/77/350510577.db2.gz XZGUEQXQDUDBJC-UHFFFAOYSA-N 1 1 262.353 2.656 20 30 CFEDMO C=CCCC[N@H+](C)Cc1cccc(C(=O)OCC)n1 ZINC000600116769 350513800 /nfs/dbraw/zinc/51/38/00/350513800.db2.gz OFXNXJBZDXVNFC-UHFFFAOYSA-N 1 1 262.353 2.656 20 30 CFEDMO Cc1c[nH+]cn1CC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000599969410 350502269 /nfs/dbraw/zinc/50/22/69/350502269.db2.gz CKVUYBSNRAXDPQ-MRXNPFEDSA-N 1 1 296.374 2.743 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C(=O)OCC)c(C)[nH]2)C1 ZINC000600183760 350533478 /nfs/dbraw/zinc/53/34/78/350533478.db2.gz DYJDWRBLKZZCIH-ZDUSSCGKSA-N 1 1 276.380 2.898 20 30 CFEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C[C@H]2CCCOC2)C(=O)OC)C1 ZINC000600204069 350538273 /nfs/dbraw/zinc/53/82/73/350538273.db2.gz OIDHCVPXUCPVKX-LVQVYYBASA-N 1 1 295.423 2.679 20 30 CFEDMO C=CCC[C@H](CC)[NH2+][C@@H](C[C@@H]1CCCOC1)C(=O)OC ZINC000600207508 350540187 /nfs/dbraw/zinc/54/01/87/350540187.db2.gz LJZVVLZBGFOQDM-KKUMJFAQSA-N 1 1 283.412 2.679 20 30 CFEDMO Cc1ncc(C[NH2+][C@@H]2CCc3cc(C#N)ccc32)o1 ZINC000600157119 350523077 /nfs/dbraw/zinc/52/30/77/350523077.db2.gz ZUPWUDYGAKACJS-OAHLLOKOSA-N 1 1 253.305 2.632 20 30 CFEDMO Cc1n[nH]c(C)c1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600215143 350541946 /nfs/dbraw/zinc/54/19/46/350541946.db2.gz ZJAQZVSRWXVOSV-UHFFFAOYSA-N 1 1 280.375 2.651 20 30 CFEDMO N#Cc1ccc2ncc(C[N@H+]3CCCC4(CC4)CC3)n2c1 ZINC000600215400 350542077 /nfs/dbraw/zinc/54/20/77/350542077.db2.gz JNJDZISFWDTVHD-UHFFFAOYSA-N 1 1 280.375 2.972 20 30 CFEDMO Cc1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1C#N ZINC000600709938 350599192 /nfs/dbraw/zinc/59/91/92/350599192.db2.gz LETULBVSFOKWGW-WMZOPIPTSA-N 1 1 283.419 2.831 20 30 CFEDMO CN(CC[C@H]1CCCC[N@H+]1C)c1cc(C#N)nc(C2CC2)n1 ZINC000601120410 350674012 /nfs/dbraw/zinc/67/40/12/350674012.db2.gz GBVPRWHWALRLKX-OAHLLOKOSA-N 1 1 299.422 2.536 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)c2cc(C#N)nc(C3CC3)n2)C[C@@H]1C ZINC000601122149 350674778 /nfs/dbraw/zinc/67/47/78/350674778.db2.gz SAHVRLINIRUBPK-WFASDCNBSA-N 1 1 299.422 2.535 20 30 CFEDMO Cc1ccc(C[N@@H+]2CC[C@H](NCc3ccc(C#N)o3)C2)cc1 ZINC000601160208 350685392 /nfs/dbraw/zinc/68/53/92/350685392.db2.gz UUWWGDXWITWHFG-INIZCTEOSA-N 1 1 295.386 2.824 20 30 CFEDMO Cc1ccc(C[N@H+]2CC[C@H](NCc3ccc(C#N)o3)C2)cc1 ZINC000601160208 350685394 /nfs/dbraw/zinc/68/53/94/350685394.db2.gz UUWWGDXWITWHFG-INIZCTEOSA-N 1 1 295.386 2.824 20 30 CFEDMO CC[C@@H]1C[N@@H+](C)CCCN1c1ncc(C#N)cc1Cl ZINC000601192043 350692755 /nfs/dbraw/zinc/69/27/55/350692755.db2.gz PPKFJNKXDSXTSF-GFCCVEGCSA-N 1 1 278.787 2.527 20 30 CFEDMO CN1CCCC[C@@H]([N@@H+](C)CCCCC(C)(C)C#N)C1=O ZINC000601971002 350821774 /nfs/dbraw/zinc/82/17/74/350821774.db2.gz SQSBIRPJCVKYTD-CQSZACIVSA-N 1 1 279.428 2.649 20 30 CFEDMO CC(C)[N@@H+](C)CCCNCc1cccc(F)c1C#N ZINC000602006297 350829130 /nfs/dbraw/zinc/82/91/30/350829130.db2.gz SMONBTHOXNXHFF-UHFFFAOYSA-N 1 1 263.360 2.517 20 30 CFEDMO CC(C)(CC#N)C[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000602019413 350832868 /nfs/dbraw/zinc/83/28/68/350832868.db2.gz GLPXNHUSNZYFAC-UHFFFAOYSA-N 1 1 261.300 2.996 20 30 CFEDMO N#Cc1c(F)cccc1CN[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000602028466 350835854 /nfs/dbraw/zinc/83/58/54/350835854.db2.gz MVITXGMAYDCGIE-IAGOWNOFSA-N 1 1 287.382 2.804 20 30 CFEDMO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000602028466 350835856 /nfs/dbraw/zinc/83/58/56/350835856.db2.gz MVITXGMAYDCGIE-IAGOWNOFSA-N 1 1 287.382 2.804 20 30 CFEDMO C[N@@H+](CC(=O)Nc1ccc(CC#N)cc1)CC(C)(C)C ZINC000602046316 350837188 /nfs/dbraw/zinc/83/71/88/350837188.db2.gz ROWNMHQTABGWFL-UHFFFAOYSA-N 1 1 273.380 2.669 20 30 CFEDMO N#Cc1cc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)ccc1F ZINC000602094923 350839804 /nfs/dbraw/zinc/83/98/04/350839804.db2.gz JZUOKMVOHPTDPB-OAHLLOKOSA-N 1 1 287.338 2.653 20 30 CFEDMO N#Cc1cc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)ccc1F ZINC000602094923 350839807 /nfs/dbraw/zinc/83/98/07/350839807.db2.gz JZUOKMVOHPTDPB-OAHLLOKOSA-N 1 1 287.338 2.653 20 30 CFEDMO C[C@H]1CCC[C@](C#N)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000602100759 350840832 /nfs/dbraw/zinc/84/08/32/350840832.db2.gz DBWKAAJYNPPMPE-BBRMVZONSA-N 1 1 279.428 2.553 20 30 CFEDMO C[N@H+]1CCCC[C@H]1C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000602128007 350844972 /nfs/dbraw/zinc/84/49/72/350844972.db2.gz HYGYSLGBUBQQQV-CVEARBPZSA-N 1 1 285.391 2.632 20 30 CFEDMO C[N@@H+](CC(=O)N1CCCC(C)(C)[C@H]1C#N)CC(C)(C)C ZINC000602139994 350845832 /nfs/dbraw/zinc/84/58/32/350845832.db2.gz HOAFOOFWVLJMAC-CYBMUJFWSA-N 1 1 279.428 2.505 20 30 CFEDMO Cc1cc(C#N)cc(NC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000602156767 350847365 /nfs/dbraw/zinc/84/73/65/350847365.db2.gz AESSIVPMGMGHDE-UHFFFAOYSA-N 1 1 282.347 2.825 20 30 CFEDMO C[N@H+]1CC[C@@H](CC(=O)N[C@H](CCCC#N)c2ccccc2)C1 ZINC000602162588 350848189 /nfs/dbraw/zinc/84/81/89/350848189.db2.gz ZAEFZDFSQAFQBH-DOTOQJQBSA-N 1 1 299.418 2.880 20 30 CFEDMO Cc1cc(C#N)cc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000602158673 350848380 /nfs/dbraw/zinc/84/83/80/350848380.db2.gz PANLPPCBGZIZSS-MRXNPFEDSA-N 1 1 283.375 2.822 20 30 CFEDMO C[N@@H+](CC(=O)Nc1cccc(CC#N)c1)CC(C)(C)C ZINC000602159766 350848596 /nfs/dbraw/zinc/84/85/96/350848596.db2.gz SWYFNOMYGZTGJN-UHFFFAOYSA-N 1 1 273.380 2.669 20 30 CFEDMO CC(C)[N@H+]1CC[C@@H](CNCc2cccc(F)c2C#N)C1 ZINC000602005970 350828784 /nfs/dbraw/zinc/82/87/84/350828784.db2.gz IMOWXHOUDVVYIZ-ZDUSSCGKSA-N 1 1 275.371 2.517 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000602480806 350899428 /nfs/dbraw/zinc/89/94/28/350899428.db2.gz YUVIQZLKYSMBGC-DZGCQCFKSA-N 1 1 250.386 2.675 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000602481859 350901267 /nfs/dbraw/zinc/90/12/67/350901267.db2.gz BHZCFLXJFFGLHA-HLLBOEOZSA-N 1 1 275.440 2.875 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000602481859 350901269 /nfs/dbraw/zinc/90/12/69/350901269.db2.gz BHZCFLXJFFGLHA-HLLBOEOZSA-N 1 1 275.440 2.875 20 30 CFEDMO C[C@H](CCC#N)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000602481859 350901270 /nfs/dbraw/zinc/90/12/70/350901270.db2.gz BHZCFLXJFFGLHA-HLLBOEOZSA-N 1 1 275.440 2.875 20 30 CFEDMO C[C@H](CCC#N)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000602481859 350901272 /nfs/dbraw/zinc/90/12/72/350901272.db2.gz BHZCFLXJFFGLHA-HLLBOEOZSA-N 1 1 275.440 2.875 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000602482505 350901297 /nfs/dbraw/zinc/90/12/97/350901297.db2.gz HAOPKYFSGVNEDP-KFWWJZLASA-N 1 1 260.385 2.706 20 30 CFEDMO C[C@H](CCC#N)CNc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000602496229 350905706 /nfs/dbraw/zinc/90/57/06/350905706.db2.gz QREYCJLMBQLWCC-CYBMUJFWSA-N 1 1 288.395 2.538 20 30 CFEDMO Cc1nc(C[NH2+][C@@H](C)CC2(C#N)CCOCC2)cs1 ZINC000602508799 350909586 /nfs/dbraw/zinc/90/95/86/350909586.db2.gz AYZYOMZTSRUGBW-NSHDSACASA-N 1 1 279.409 2.640 20 30 CFEDMO Cc1ccc([C@H](CNCc2cccc(C#N)n2)[NH+](C)C)cc1 ZINC000602524949 350914193 /nfs/dbraw/zinc/91/41/93/350914193.db2.gz PAPGTSUFKHTVBI-SFHVURJKSA-N 1 1 294.402 2.654 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000602598675 350940530 /nfs/dbraw/zinc/94/05/30/350940530.db2.gz CRVQDGDMWIUNQV-ZBFHGGJFSA-N 1 1 257.381 2.886 20 30 CFEDMO CCCC[N@H+]1CCCC[C@H]1CNCc1cccc(C#N)n1 ZINC000602545906 350919250 /nfs/dbraw/zinc/91/92/50/350919250.db2.gz ROUNDQMPCPLWED-KRWDZBQOSA-N 1 1 286.423 2.697 20 30 CFEDMO CCCCN1CCCC[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602545906 350919251 /nfs/dbraw/zinc/91/92/51/350919251.db2.gz ROUNDQMPCPLWED-KRWDZBQOSA-N 1 1 286.423 2.697 20 30 CFEDMO C[C@@H](NCc1cccc(C#N)n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000602596971 350940767 /nfs/dbraw/zinc/94/07/67/350940767.db2.gz OTIREDWLVCTPNG-HUUCEWRRSA-N 1 1 298.434 2.696 20 30 CFEDMO C[C@H](c1ccccn1)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602588611 350937157 /nfs/dbraw/zinc/93/71/57/350937157.db2.gz COEDRQFHGFRCSQ-GFCCVEGCSA-N 1 1 252.321 2.541 20 30 CFEDMO C[C@H](c1ccccn1)[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602588611 350937158 /nfs/dbraw/zinc/93/71/58/350937158.db2.gz COEDRQFHGFRCSQ-GFCCVEGCSA-N 1 1 252.321 2.541 20 30 CFEDMO CC[C@@H]([NH2+]C1CCC(C#N)CC1)C(=O)OC(C)(C)C ZINC000602588704 350937566 /nfs/dbraw/zinc/93/75/66/350937566.db2.gz MZRDEQHEVCDRMD-WXRRBKDZSA-N 1 1 266.385 2.779 20 30 CFEDMO Cc1cccc(OCC[N@H+](C)Cc2cccc(C#N)n2)c1 ZINC000602437383 350881244 /nfs/dbraw/zinc/88/12/44/350881244.db2.gz VXMBCXWXMDZENH-UHFFFAOYSA-N 1 1 281.359 2.773 20 30 CFEDMO CCOc1ccc(C[N@H+](C)Cc2cccc(C#N)n2)cc1 ZINC000602436002 350881358 /nfs/dbraw/zinc/88/13/58/350881358.db2.gz XNLSDDRYGPJPMR-UHFFFAOYSA-N 1 1 281.359 2.984 20 30 CFEDMO CCOc1ccc(C[N@@H+](C)Cc2cccc(C#N)n2)cc1 ZINC000602436002 350881362 /nfs/dbraw/zinc/88/13/62/350881362.db2.gz XNLSDDRYGPJPMR-UHFFFAOYSA-N 1 1 281.359 2.984 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000602437433 350882780 /nfs/dbraw/zinc/88/27/80/350882780.db2.gz XJUIILJSUKFPPA-ZBFHGGJFSA-N 1 1 258.365 3.000 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](c3ccccc3)C2)n1 ZINC000602443137 350884592 /nfs/dbraw/zinc/88/45/92/350884592.db2.gz RKOYTNQABVGABR-OAHLLOKOSA-N 1 1 263.344 2.943 20 30 CFEDMO Cc1nc([C@@H]2CCCC[N@H+]2C[C@H](C)CCC#N)no1 ZINC000602446907 350886406 /nfs/dbraw/zinc/88/64/06/350886406.db2.gz CERWTETYXSBWQV-YPMHNXCESA-N 1 1 262.357 2.845 20 30 CFEDMO Cc1nc([C@@H]2CCCC[N@@H+]2C[C@H](C)CCC#N)no1 ZINC000602446907 350886409 /nfs/dbraw/zinc/88/64/09/350886409.db2.gz CERWTETYXSBWQV-YPMHNXCESA-N 1 1 262.357 2.845 20 30 CFEDMO CC[N@@H+](Cc1ccc2nccnc2c1)C[C@H](C)C#N ZINC000602446702 350886548 /nfs/dbraw/zinc/88/65/48/350886548.db2.gz IBXZOHAAAXTTBZ-GFCCVEGCSA-N 1 1 254.337 2.611 20 30 CFEDMO CC[N@H+](Cc1ccc2nccnc2c1)C[C@H](C)C#N ZINC000602446702 350886551 /nfs/dbraw/zinc/88/65/51/350886551.db2.gz IBXZOHAAAXTTBZ-GFCCVEGCSA-N 1 1 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C[C@H](C#N)C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000183817628 381324568 /nfs/dbraw/zinc/32/45/68/381324568.db2.gz UVCALUJACDCMCE-SNVBAGLBSA-N 1 1 274.755 2.979 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000288798557 197168737 /nfs/dbraw/zinc/16/87/37/197168737.db2.gz KMHYZSAUQUCFFX-UHFFFAOYSA-N 1 1 292.338 2.932 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC3(C2)Oc2ccccc2O3)cc1 ZINC000288798557 197168738 /nfs/dbraw/zinc/16/87/38/197168738.db2.gz KMHYZSAUQUCFFX-UHFFFAOYSA-N 1 1 292.338 2.932 20 30 CFEDMO CC[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000369826182 381338056 /nfs/dbraw/zinc/33/80/56/381338056.db2.gz QYZCKXZRDJVNQP-CQSZACIVSA-N 1 1 282.347 2.983 20 30 CFEDMO CCC[N@@H+](CC)CCNc1cc(C#N)ccc1[N+](=O)[O-] ZINC000183941205 381344281 /nfs/dbraw/zinc/34/42/81/381344281.db2.gz KPQTYBOEWYVMLI-UHFFFAOYSA-N 1 1 276.340 2.610 20 30 CFEDMO C#Cc1ccc(C[NH2+]Cc2noc3c2CCCC3)cc1 ZINC000290218363 381346318 /nfs/dbraw/zinc/34/63/18/381346318.db2.gz RKMJPNVYZUZYIF-UHFFFAOYSA-N 1 1 266.344 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NLSZIPWLZKMBHM-CYBMUJFWSA-N 1 1 262.353 2.794 20 30 CFEDMO C=CCOCCC[N@@H+](C)Cc1ncc(CC)s1 ZINC000348047002 381455584 /nfs/dbraw/zinc/45/55/84/381455584.db2.gz KLVRIGOSOPSECY-UHFFFAOYSA-N 1 1 254.399 2.730 20 30 CFEDMO C=CCOCCC[N@H+](C)Cc1ncc(CC)s1 ZINC000348047002 381455592 /nfs/dbraw/zinc/45/55/92/381455592.db2.gz KLVRIGOSOPSECY-UHFFFAOYSA-N 1 1 254.399 2.730 20 30 CFEDMO C=CCOCCC[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000348046324 381456370 /nfs/dbraw/zinc/45/63/70/381456370.db2.gz JCKAYDDYGOGWFH-INIZCTEOSA-N 1 1 263.381 2.635 20 30 CFEDMO C=CCOCCC[N@@H+]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000348048554 381456755 /nfs/dbraw/zinc/45/67/55/381456755.db2.gz MZDWTWRWRWCOME-KRWDZBQOSA-N 1 1 288.435 2.785 20 30 CFEDMO C=CCOCCCN1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000348048554 381456764 /nfs/dbraw/zinc/45/67/64/381456764.db2.gz MZDWTWRWRWCOME-KRWDZBQOSA-N 1 1 288.435 2.785 20 30 CFEDMO C=CCOCCCN1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000348048554 381456768 /nfs/dbraw/zinc/45/67/68/381456768.db2.gz MZDWTWRWRWCOME-KRWDZBQOSA-N 1 1 288.435 2.785 20 30 CFEDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000342670377 381469208 /nfs/dbraw/zinc/46/92/08/381469208.db2.gz RLVMDSYLBYAKKS-QGZVFWFLSA-N 1 1 299.418 2.585 20 30 CFEDMO C=CC[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000184743430 381470906 /nfs/dbraw/zinc/47/09/06/381470906.db2.gz SQMRIHQNROGIMH-HUUCEWRRSA-N 1 1 258.409 2.919 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(C(C)=O)ccc1C#N ZINC000290629797 381503760 /nfs/dbraw/zinc/50/37/60/381503760.db2.gz MKCLGRXHOYTSPT-GFCCVEGCSA-N 1 1 273.380 2.903 20 30 CFEDMO Cc1oc(NC(=O)C[N@@H+]2CCC[C@H]2C2CC2)c(C#N)c1C ZINC000370902856 381511661 /nfs/dbraw/zinc/51/16/61/381511661.db2.gz NJIQQXPYXFRRCV-AWEZNQCLSA-N 1 1 287.363 2.581 20 30 CFEDMO Cc1oc(NC(=O)C[N@H+]2CCC[C@H]2C2CC2)c(C#N)c1C ZINC000370902856 381511668 /nfs/dbraw/zinc/51/16/68/381511668.db2.gz NJIQQXPYXFRRCV-AWEZNQCLSA-N 1 1 287.363 2.581 20 30 CFEDMO C[C@@H](O)CCC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000354871650 381498059 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ZINC000450975832 394344017 /nfs/dbraw/zinc/34/40/17/394344017.db2.gz PIDYLMCGHHATTG-UHFFFAOYSA-N 1 1 274.339 2.977 20 30 CFEDMO COc1cccnc1C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000453373312 394391928 /nfs/dbraw/zinc/39/19/28/394391928.db2.gz RZINJVGRPKUSOO-LLVKDONJSA-N 1 1 285.322 2.952 20 30 CFEDMO C[C@]1(F)CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000451119468 394359936 /nfs/dbraw/zinc/35/99/36/394359936.db2.gz GTQXOLQGONRLHH-AWEZNQCLSA-N 1 1 295.383 2.772 20 30 CFEDMO CC(C)[N@@H+]1C[C@H](NCc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000451263429 394371631 /nfs/dbraw/zinc/37/16/31/394371631.db2.gz ZCBHASRNXYZSAG-LRDDRELGSA-N 1 1 275.371 2.516 20 30 CFEDMO CC(C)N1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H](C)C1 ZINC000451263429 394371633 /nfs/dbraw/zinc/37/16/33/394371633.db2.gz ZCBHASRNXYZSAG-LRDDRELGSA-N 1 1 275.371 2.516 20 30 CFEDMO N#CCSCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451350377 394375893 /nfs/dbraw/zinc/37/58/93/394375893.db2.gz YNVALXPPMGEVHE-ZNMIVQPWSA-N 1 1 282.453 2.649 20 30 CFEDMO CCC[C@]1(C)CCC[N@@H+](CC(=O)N(CC)CCC#N)C1 ZINC000174453769 394378835 /nfs/dbraw/zinc/37/88/35/394378835.db2.gz GXQBGTDINUCWTE-MRXNPFEDSA-N 1 1 279.428 2.651 20 30 CFEDMO C=CCN1CC[C@H]([N@@H+]2CCc3ccccc3[C@@H]2CC)C1=O ZINC000685001190 542886009 /nfs/dbraw/zinc/88/60/09/542886009.db2.gz QFDSKZVKZQICIT-IRXDYDNUSA-N 1 1 284.403 2.783 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000525954277 542923210 /nfs/dbraw/zinc/92/32/10/542923210.db2.gz OQFUSJCSFQMVQV-DOTOQJQBSA-N 1 1 272.392 2.892 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000525954277 542923212 /nfs/dbraw/zinc/92/32/12/542923212.db2.gz OQFUSJCSFQMVQV-DOTOQJQBSA-N 1 1 272.392 2.892 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000525954279 542923288 /nfs/dbraw/zinc/92/32/88/542923288.db2.gz OQFUSJCSFQMVQV-RDJZCZTQSA-N 1 1 272.392 2.892 20 30 CFEDMO C=C[C@@](C)(CC)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000525954279 542923290 /nfs/dbraw/zinc/92/32/90/542923290.db2.gz 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ZINC000648748295 395295073 /nfs/dbraw/zinc/29/50/73/395295073.db2.gz FWGDJGSFHJGQGK-IUODEOHRSA-N 1 1 274.364 2.530 20 30 CFEDMO C=CC[C@@H]1N(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1(C)C ZINC000648881699 395349696 /nfs/dbraw/zinc/34/96/96/395349696.db2.gz NXHAAACMCRWLCS-KFWWJZLASA-N 1 1 278.440 2.920 20 30 CFEDMO C=C[C@H]1CCCCN1C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648883448 395350724 /nfs/dbraw/zinc/35/07/24/395350724.db2.gz GPJLEOPATAOPCY-KGLIPLIRSA-N 1 1 275.396 2.964 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000649322598 395473549 /nfs/dbraw/zinc/47/35/49/395473549.db2.gz VPYLPYOEGZTAQA-UHOFOFEASA-N 1 1 279.355 2.525 20 30 CFEDMO C=C(C)[C@H](CO)[N@H+]1C[C@@H](C)O[C@@H](c2ccc(F)cc2)C1 ZINC000649322598 395473551 /nfs/dbraw/zinc/47/35/51/395473551.db2.gz VPYLPYOEGZTAQA-UHOFOFEASA-N 1 1 279.355 2.525 20 30 CFEDMO C=CCCCC[N@@H+]1CCC[C@H](C(=O)NCCC)C1 ZINC000649272700 395466013 /nfs/dbraw/zinc/46/60/13/395466013.db2.gz HUXXBVVWJBUKAN-AWEZNQCLSA-N 1 1 252.402 2.581 20 30 CFEDMO COCC#CC[N@@H+](C)[C@@H](C)CSc1ccccc1 ZINC000649665132 395549357 /nfs/dbraw/zinc/54/93/57/395549357.db2.gz BYVCWQULYZQPDS-AWEZNQCLSA-N 1 1 263.406 2.749 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000649894536 395586319 /nfs/dbraw/zinc/58/63/19/395586319.db2.gz OGGLTZJUAMJKJJ-LRDDRELGSA-N 1 1 263.356 2.724 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649901555 395587975 /nfs/dbraw/zinc/58/79/75/395587975.db2.gz OLMBIDWJQXIYCF-GXTWGEPZSA-N 1 1 286.366 2.531 20 30 CFEDMO CCOC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000135080319 397604025 /nfs/dbraw/zinc/60/40/25/397604025.db2.gz YPBRDYUBVBDCBU-HNNXBMFYSA-N 1 1 288.391 2.815 20 30 CFEDMO CCC#C[C@@H](C)[N@H+]1CCN(CC(F)(F)F)C[C@@H](C)C1 ZINC000650201839 397727811 /nfs/dbraw/zinc/72/78/11/397727811.db2.gz ZPRIXVKICKQSRF-CHWSQXEVSA-N 1 1 276.346 2.604 20 30 CFEDMO C=CC(C)(C)CNC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000653094253 413195716 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ZINC000663631432 413291362 /nfs/dbraw/zinc/29/13/62/413291362.db2.gz TVTQLISAIWQZKR-AWEZNQCLSA-N 1 1 281.444 2.762 20 30 CFEDMO Cc1c(C#N)cccc1NCc1ncc(C[NH+](C)C)s1 ZINC000348134884 154335172 /nfs/dbraw/zinc/33/51/72/154335172.db2.gz QDTFHQYUNGBGHP-UHFFFAOYSA-N 1 1 286.404 2.997 20 30 CFEDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000348203148 154361681 /nfs/dbraw/zinc/36/16/81/154361681.db2.gz AAXXDYNJAGXHHR-INIZCTEOSA-N 1 1 258.365 2.868 20 30 CFEDMO C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000355782801 155084897 /nfs/dbraw/zinc/08/48/97/155084897.db2.gz FWEYBXJZHCIPHR-ILXRZTDVSA-N 1 1 299.418 2.541 20 30 CFEDMO C=CC[C@@H]1[N@H+](C[C@@H](O)CN(C)C(C)C)CCCC1(C)C ZINC000660423580 413306441 /nfs/dbraw/zinc/30/64/41/413306441.db2.gz SJYZVIJCWWYHFA-HOTGVXAUSA-N 1 1 282.472 2.754 20 30 CFEDMO C=CC[C@@H]1[N@@H+](C[C@@H](O)CN(C)C(C)C)CCCC1(C)C ZINC000660423580 413306448 /nfs/dbraw/zinc/30/64/48/413306448.db2.gz SJYZVIJCWWYHFA-HOTGVXAUSA-N 1 1 282.472 2.754 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000663680228 413318164 /nfs/dbraw/zinc/31/81/64/413318164.db2.gz DMTZABIUPINDRW-XUWVNRHRSA-N 1 1 289.423 2.506 20 30 CFEDMO N#Cc1ccc(F)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000362822627 156093999 /nfs/dbraw/zinc/09/39/99/156093999.db2.gz JHMBLSNGRFPBOW-NJAFHUGGSA-N 1 1 299.393 2.613 20 30 CFEDMO CC[N@H+](Cc1ccc(C#N)c(C)c1)C[C@H]1CCCO1 ZINC000362908902 156112346 /nfs/dbraw/zinc/11/23/46/156112346.db2.gz LQOPRUDFNLZTTI-MRXNPFEDSA-N 1 1 258.365 2.868 20 30 CFEDMO N#Cc1cccc([C@@H]2C[N@H+](CCc3ccccn3)CCO2)c1 ZINC000363148317 156153193 /nfs/dbraw/zinc/15/31/93/156153193.db2.gz JJEIESYTKVWVJA-SFHVURJKSA-N 1 1 293.370 2.569 20 30 CFEDMO N#Cc1cccc([C@@H]2C[N@@H+](CCc3ccccn3)CCO2)c1 ZINC000363148317 156153195 /nfs/dbraw/zinc/15/31/95/156153195.db2.gz JJEIESYTKVWVJA-SFHVURJKSA-N 1 1 293.370 2.569 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCCC[C@H]2CN2CCCC2=O)c1 ZINC000363521712 156177107 /nfs/dbraw/zinc/17/71/07/156177107.db2.gz KNWPEQGVFFPUNE-KRWDZBQOSA-N 1 1 297.402 2.535 20 30 CFEDMO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000363867616 156201533 /nfs/dbraw/zinc/20/15/33/156201533.db2.gz WKYSVCIKVKXTSZ-CVEARBPZSA-N 1 1 282.343 2.674 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3ccncn3)C2)ccc1F ZINC000363938573 156208748 /nfs/dbraw/zinc/20/87/48/156208748.db2.gz ORPLCGMASAIJFH-AWEZNQCLSA-N 1 1 296.349 2.867 20 30 CFEDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000364019088 156215793 /nfs/dbraw/zinc/21/57/93/156215793.db2.gz HHFBFVDEDCNERT-MSOLQXFVSA-N 1 1 297.402 2.534 20 30 CFEDMO C=CCCNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000660451108 413328473 /nfs/dbraw/zinc/32/84/73/413328473.db2.gz XZVNPXOPVRIPMT-GOEBONIOSA-N 1 1 287.407 2.697 20 30 CFEDMO C=CCCn1cc(C[N@@H+](CC)CCc2ccccc2)nn1 ZINC000653497633 413331282 /nfs/dbraw/zinc/33/12/82/413331282.db2.gz OPVZUBBHIKSLNI-UHFFFAOYSA-N 1 1 284.407 2.919 20 30 CFEDMO C=CCN1CC[C@@H]([N@@H+](C)CC[C@H]2CCc3ccccc32)C1=O ZINC000660464752 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KLJCBXOLJLIZJX-GFCCVEGCSA-N 1 1 260.337 2.851 20 30 CFEDMO C=CC[N@@H+](Cc1nc2ccccc2o1)[C@H](C)COC ZINC000661246725 413849414 /nfs/dbraw/zinc/84/94/14/413849414.db2.gz KLJCBXOLJLIZJX-GFCCVEGCSA-N 1 1 260.337 2.851 20 30 CFEDMO C=CC[N@@H+](CC(=O)Nc1ccccc1CC)[C@H](C)COC ZINC000661249000 413852060 /nfs/dbraw/zinc/85/20/60/413852060.db2.gz ZOZADURADGCCPB-CQSZACIVSA-N 1 1 290.407 2.710 20 30 CFEDMO C=CC[N@H+](CC(=O)Nc1ccccc1CC)[C@H](C)COC ZINC000661249000 413852067 /nfs/dbraw/zinc/85/20/67/413852067.db2.gz ZOZADURADGCCPB-CQSZACIVSA-N 1 1 290.407 2.710 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](CCn2c(C)csc2=O)C1 ZINC000661377241 413935746 /nfs/dbraw/zinc/93/57/46/413935746.db2.gz LNJFRCLXVYKQQI-CYBMUJFWSA-N 1 1 266.410 2.506 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](C[C@H](O)COCc2cccs2)C1 ZINC000661378900 413935970 /nfs/dbraw/zinc/93/59/70/413935970.db2.gz OATPCYYJFIYSFQ-CABCVRRESA-N 1 1 295.448 2.914 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(CC)CC)C1 ZINC000661378408 413936254 /nfs/dbraw/zinc/93/62/54/413936254.db2.gz FWVXUXHGMDQKBD-UONOGXRCSA-N 1 1 252.402 2.531 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)NCCCC)C1 ZINC000661378291 413936533 /nfs/dbraw/zinc/93/65/33/413936533.db2.gz BQLWOEASHCEJHH-ZIAGYGMSSA-N 1 1 252.402 2.579 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NCCCC)C1 ZINC000661378290 413939451 /nfs/dbraw/zinc/93/94/51/413939451.db2.gz BQLWOEASHCEJHH-UONOGXRCSA-N 1 1 252.402 2.579 20 30 CFEDMO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000661385385 413941810 /nfs/dbraw/zinc/94/18/10/413941810.db2.gz ODWGQCZNWHBZEZ-CQSZACIVSA-N 1 1 293.432 2.878 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](Cc2ccc(S(C)(=O)=O)cc2)C1 ZINC000661385385 413941818 /nfs/dbraw/zinc/94/18/18/413941818.db2.gz ODWGQCZNWHBZEZ-CQSZACIVSA-N 1 1 293.432 2.878 20 30 CFEDMO C=CC[C@H]1CCC[N@H+](CCC(=O)N2CCC[C@H]2C)C1 ZINC000661380020 413941923 /nfs/dbraw/zinc/94/19/23/413941923.db2.gz KSTQFPMGDFSZHN-CABCVRRESA-N 1 1 264.413 2.676 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000661385442 413942543 /nfs/dbraw/zinc/94/25/43/413942543.db2.gz OSGLCLXVUQMTSX-MNOVXSKESA-N 1 1 251.292 2.588 20 30 CFEDMO C=CC[C@@H]1CCC[N@@H+](Cc2nc([C@@H](C)OCC)no2)C1 ZINC000661379715 413945272 /nfs/dbraw/zinc/94/52/72/413945272.db2.gz HGRHESHAUSYFDP-CHWSQXEVSA-N 1 1 279.384 2.955 20 30 CFEDMO C=CC[C@@H]1CCC[N@H+](Cc2nc([C@@H](C)OCC)no2)C1 ZINC000661379715 413945283 /nfs/dbraw/zinc/94/52/83/413945283.db2.gz HGRHESHAUSYFDP-CHWSQXEVSA-N 1 1 279.384 2.955 20 30 CFEDMO C=CCC1(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CCCC1 ZINC000664919002 414011907 /nfs/dbraw/zinc/01/19/07/414011907.db2.gz DBWSSLPXHGRYRQ-AWEZNQCLSA-N 1 1 281.444 2.903 20 30 CFEDMO C=CC[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000661408131 413956571 /nfs/dbraw/zinc/95/65/71/413956571.db2.gz OSZUYSYIYGEXKH-HUUCEWRRSA-N 1 1 293.455 2.857 20 30 CFEDMO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000654734362 413986071 /nfs/dbraw/zinc/98/60/71/413986071.db2.gz JEOGJQOHABLJSE-OAGGEKHMSA-N 1 1 291.439 2.753 20 30 CFEDMO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)N1CCN(C)CC1 ZINC000657835726 413988200 /nfs/dbraw/zinc/98/82/00/413988200.db2.gz YGSDNZHTDWPYDE-SJORKVTESA-N 1 1 293.499 2.737 20 30 CFEDMO C#CC[N@H+](CCc1cnn(CC)c1)Cc1ccccc1 ZINC000285781951 196396741 /nfs/dbraw/zinc/39/67/41/196396741.db2.gz SOVMWLRVDZLTOW-UHFFFAOYSA-N 1 1 267.376 2.581 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+]2CCCC(CC)(CC)C2)C1=O ZINC000661672893 414126260 /nfs/dbraw/zinc/12/62/60/414126260.db2.gz QKMOETMKENCBGI-CQSZACIVSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CC[N@H+](CC(=O)NCCC(C)(C)C)C(C)(C)C ZINC000661756148 414193818 /nfs/dbraw/zinc/19/38/18/414193818.db2.gz DRVRWGAEKPJYAP-UHFFFAOYSA-N 1 1 254.418 2.825 20 30 CFEDMO C=CC[N@@H+](CC(=O)N1CCCCCC1)C(C)(C)C ZINC000661754780 414194367 /nfs/dbraw/zinc/19/43/67/414194367.db2.gz ANUHTJVUHZAISM-UHFFFAOYSA-N 1 1 252.402 2.676 20 30 CFEDMO CCC#C[C@@H](C)[NH2+][C@@H](CC)c1nnc2n1CCCCC2 ZINC000661940075 414307381 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C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000662077370 414398516 /nfs/dbraw/zinc/39/85/16/414398516.db2.gz CFZHCRBHWXZXKJ-FPCVCCKLSA-N 1 1 276.424 2.674 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nnnn1-c1ccccc1 ZINC000662078183 414398640 /nfs/dbraw/zinc/39/86/40/414398640.db2.gz CIFPTENUQQFSIK-CWRNSKLLSA-N 1 1 295.390 2.906 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)c1nnnn1-c1ccccc1 ZINC000662078183 414398645 /nfs/dbraw/zinc/39/86/45/414398645.db2.gz CIFPTENUQQFSIK-CWRNSKLLSA-N 1 1 295.390 2.906 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCc1ccc(C)cc1 ZINC000662078453 414398899 /nfs/dbraw/zinc/39/88/99/414398899.db2.gz CBDSOJAXPJRXJF-CALCHBBNSA-N 1 1 284.403 2.794 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCN(c2ccccc2)C1=O ZINC000662084324 414401158 /nfs/dbraw/zinc/40/11/58/414401158.db2.gz QNBDEBDUYQIZRX-BBWFWOEESA-N 1 1 282.387 2.975 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(CCC)CCC ZINC000662082169 414401591 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C=CC[N@@H+](CC1CCCCC1)[C@@H]1CCN(CC)C1=O ZINC000659920613 414615164 /nfs/dbraw/zinc/61/51/64/414615164.db2.gz QJPIJABWBBXNGT-OAHLLOKOSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CC[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccc(F)cc2F)C1 ZINC000662858200 414624137 /nfs/dbraw/zinc/62/41/37/414624137.db2.gz WJCNRGLVHPEAAD-IAQYHMDHSA-N 1 1 294.345 2.779 20 30 CFEDMO N#Cc1cccc(CNCC[NH+]2CCCCCC2)c1 ZINC000040433253 174260604 /nfs/dbraw/zinc/26/06/04/174260604.db2.gz HXCWZXFKBCGHDC-UHFFFAOYSA-N 1 1 257.381 2.524 20 30 CFEDMO Cc1cc(C)c(C#N)c(NC[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000044364596 175167542 /nfs/dbraw/zinc/16/75/42/175167542.db2.gz VNFYNJFHKMXZJN-CQSZACIVSA-N 1 1 272.396 2.712 20 30 CFEDMO C=CCCC[N@H+](C)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000076738438 177078164 /nfs/dbraw/zinc/07/81/64/177078164.db2.gz AOWVOMVVZHNZNI-LLVKDONJSA-N 1 1 281.425 2.985 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)N(C)Cc1cccs1 ZINC000077176930 177230182 /nfs/dbraw/zinc/23/01/82/177230182.db2.gz JBAIDFONLZFORW-UHFFFAOYSA-N 1 1 266.410 2.605 20 30 CFEDMO C=CCCC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000078488758 177346070 /nfs/dbraw/zinc/34/60/70/177346070.db2.gz QFANXIJFNDWRDN-QGZVFWFLSA-N 1 1 286.419 2.633 20 30 CFEDMO COc1ccc([C@@H](C)[NH2+]CC2(C#N)CC2)cc1OC ZINC000343567692 224798817 /nfs/dbraw/zinc/79/88/17/224798817.db2.gz WMQRJKFQCFOOFQ-LLVKDONJSA-N 1 1 260.337 2.658 20 30 CFEDMO COCC[N@H+](CCC(C)(C)C#N)Cc1cncs1 ZINC000347112357 226031054 /nfs/dbraw/zinc/03/10/54/226031054.db2.gz RHVCYZNOPCKEEK-UHFFFAOYSA-N 1 1 267.398 2.531 20 30 CFEDMO COCC[N@@H+](CCC(C)(C)C#N)Cc1cncs1 ZINC000347112357 226031060 /nfs/dbraw/zinc/03/10/60/226031060.db2.gz RHVCYZNOPCKEEK-UHFFFAOYSA-N 1 1 267.398 2.531 20 30 CFEDMO N#CC1(CN2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000347418307 226152334 /nfs/dbraw/zinc/15/23/34/226152334.db2.gz ACFVBGRZQACYDO-UHFFFAOYSA-N 1 1 275.440 2.878 20 30 CFEDMO C[C@@H]1CN(CCCC#N)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000347600162 226213218 /nfs/dbraw/zinc/21/32/18/226213218.db2.gz LFQWIAISXSIXTF-JKSUJKDBSA-N 1 1 271.408 2.885 20 30 CFEDMO C[C@@H]1C[N@H+](CCCC#N)[C@@H](C)CN1Cc1ccccc1 ZINC000347600162 226213223 /nfs/dbraw/zinc/21/32/23/226213223.db2.gz LFQWIAISXSIXTF-JKSUJKDBSA-N 1 1 271.408 2.885 20 30 CFEDMO C[C@@H]1C[N@@H+](CCCC#N)[C@@H](C)CN1Cc1ccccc1 ZINC000347600162 226213226 /nfs/dbraw/zinc/21/32/26/226213226.db2.gz LFQWIAISXSIXTF-JKSUJKDBSA-N 1 1 271.408 2.885 20 30 CFEDMO OC[C@@H]1C[N@H+](CC#Cc2ccccc2)CC[C@H]1C(F)(F)F ZINC000352679897 227156238 /nfs/dbraw/zinc/15/62/38/227156238.db2.gz IIGUBAINMBAQST-LSDHHAIUSA-N 1 1 297.320 2.531 20 30 CFEDMO OC[C@@H]1C[N@@H+](CC#Cc2ccccc2)CC[C@H]1C(F)(F)F ZINC000352679897 227156241 /nfs/dbraw/zinc/15/62/41/227156241.db2.gz IIGUBAINMBAQST-LSDHHAIUSA-N 1 1 297.320 2.531 20 30 CFEDMO C[C@H]1C[C@@H](NC(=O)c2ccc(C(C)(C)C#N)cc2)CC[N@H+]1C ZINC000336608946 227177364 /nfs/dbraw/zinc/17/73/64/227177364.db2.gz DXASZDQMUZOQNT-BBRMVZONSA-N 1 1 299.418 2.700 20 30 CFEDMO C[C@@H]1CC[N@@H+](C)CCN1C(=O)C[C@H](CC#N)c1ccccc1 ZINC000356090082 228116964 /nfs/dbraw/zinc/11/69/64/228116964.db2.gz GXIMCXTUQJLKLG-WBVHZDCISA-N 1 1 299.418 2.627 20 30 CFEDMO O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330227295 228073107 /nfs/dbraw/zinc/07/31/07/228073107.db2.gz PECIJAHGSZLGNI-CQSZACIVSA-N 1 1 297.362 2.687 20 30 CFEDMO [O-]C(N[C@@H]1CCn2cc[nH+]c2C1)=[NH+]c1ccc2c(c1)CCC2 ZINC000330263616 228084620 /nfs/dbraw/zinc/08/46/20/228084620.db2.gz WUFDYOFGYRRGRZ-OAHLLOKOSA-N 1 1 296.374 2.713 20 30 CFEDMO CCn1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000330312983 228136291 /nfs/dbraw/zinc/13/62/91/228136291.db2.gz WVKLEMLUFLOPRM-CYBMUJFWSA-N 1 1 264.373 2.756 20 30 CFEDMO N#CC1(CN2CCC(c3[nH+]cc4n3CCCC4)CC2)CC1 ZINC000336149607 228197917 /nfs/dbraw/zinc/19/79/17/228197917.db2.gz RDVZLYLOYWWQDH-UHFFFAOYSA-N 1 1 284.407 2.703 20 30 CFEDMO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1cnnn1C ZINC000826707941 782027516 /nfs/dbraw/zinc/02/75/16/782027516.db2.gz PLVXZGXNUQJXEG-JSGCOSHPSA-N 1 1 269.352 2.511 20 30 CFEDMO CCOC(=O)[C@]1(C(C)C)CC[N@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000332332484 260001525 /nfs/dbraw/zinc/00/15/25/260001525.db2.gz CCOXPLCYMUXYRX-OFQRWUPVSA-N 1 1 278.396 2.590 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000371044621 260029218 /nfs/dbraw/zinc/02/92/18/260029218.db2.gz RTRSBZJXDCKTKK-GOSISDBHSA-N 1 1 287.403 2.617 20 30 CFEDMO C=CCCC[NH+]1CCN(C(=O)c2c(F)cccc2F)CC1 ZINC000117878405 260117595 /nfs/dbraw/zinc/11/75/95/260117595.db2.gz HCWMSBNYWMDISG-UHFFFAOYSA-N 1 1 294.345 2.689 20 30 CFEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297514148 260128224 /nfs/dbraw/zinc/12/82/24/260128224.db2.gz MNCPOYNTCUGOPI-HZPDHXFCSA-N 1 1 272.392 2.557 20 30 CFEDMO Cc1ccc(C[NH+]2CCN(/N=C\c3ccccn3)CC2)cc1 ZINC000028350759 260135433 /nfs/dbraw/zinc/13/54/33/260135433.db2.gz VVNOZFOFYVATOF-ZHZULCJRSA-N 1 1 294.402 2.542 20 30 CFEDMO C=CCC[C@H](C(=O)NC[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000188516636 260151030 /nfs/dbraw/zinc/15/10/30/260151030.db2.gz NEUSMJMLAWNXRN-WBVHZDCISA-N 1 1 286.419 2.804 20 30 CFEDMO N#CCCC[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000038639932 260169887 /nfs/dbraw/zinc/16/98/87/260169887.db2.gz JAJZGEREESWIGZ-RMKNXTFCSA-N 1 1 269.392 2.621 20 30 CFEDMO N#CCCCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000038639932 260169889 /nfs/dbraw/zinc/16/98/89/260169889.db2.gz JAJZGEREESWIGZ-RMKNXTFCSA-N 1 1 269.392 2.621 20 30 CFEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1(C#N)CCCCC1 ZINC000408023212 260173378 /nfs/dbraw/zinc/17/33/78/260173378.db2.gz YKEUYDLWLOMPCR-CABCVRRESA-N 1 1 291.439 2.697 20 30 CFEDMO C[C@@H]([NH2+]CCC#N)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000521612529 260195216 /nfs/dbraw/zinc/19/52/16/260195216.db2.gz NKENKOULZPDWHA-RHSMWYFYSA-N 1 1 288.391 2.815 20 30 CFEDMO C[N@@H+](CCCCC#N)Cc1cnn(-c2ccccc2)c1 ZINC000057626083 260225493 /nfs/dbraw/zinc/22/54/93/260225493.db2.gz YJIICKGTKXSJJQ-UHFFFAOYSA-N 1 1 268.364 2.998 20 30 CFEDMO CC[N@H+](CC(=O)N(CCC#N)c1ccccc1)CC1CC1 ZINC000070015596 260263441 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260820083 /nfs/dbraw/zinc/82/00/83/260820083.db2.gz SQNGVLQFAVRNLR-UHFFFAOYSA-N 1 1 294.742 2.835 20 30 CFEDMO C=CC1CC[NH+](Cc2nncn2-c2ccccc2)CC1 ZINC000444649801 261057371 /nfs/dbraw/zinc/05/73/71/261057371.db2.gz MXVCHXRDQBUZBC-UHFFFAOYSA-N 1 1 268.364 2.665 20 30 CFEDMO N#CCC[N@@H+](CCCOc1cccc(C#N)c1)CC1CC1 ZINC000156629316 261128198 /nfs/dbraw/zinc/12/81/98/261128198.db2.gz PJBQFSKGARLZOT-UHFFFAOYSA-N 1 1 283.375 2.953 20 30 CFEDMO CC(C)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000444754553 261163627 /nfs/dbraw/zinc/16/36/27/261163627.db2.gz TWXOLPRLPQEAPA-ZMSDIMECSA-N 1 1 293.455 2.797 20 30 CFEDMO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC(C)(C)C1 ZINC000174259732 261180922 /nfs/dbraw/zinc/18/09/22/261180922.db2.gz IAIGXHPXVFATSK-INIZCTEOSA-N 1 1 289.419 2.887 20 30 CFEDMO C#CC[N@@H+](CC)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000490761010 261202262 /nfs/dbraw/zinc/20/22/62/261202262.db2.gz QQZBACYVHGEDEO-HUUCEWRRSA-N 1 1 272.392 2.516 20 30 CFEDMO C#CC[N@H+](CC)[C@H](C)C(=O)N[C@H](C)c1ccccc1C ZINC000490761010 261202264 /nfs/dbraw/zinc/20/22/64/261202264.db2.gz QQZBACYVHGEDEO-HUUCEWRRSA-N 1 1 272.392 2.516 20 30 CFEDMO C[C@@H](CC#N)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000161747531 261258689 /nfs/dbraw/zinc/25/86/89/261258689.db2.gz CRSSOTZVSOSCHQ-LBPRGKRZSA-N 1 1 277.324 2.598 20 30 CFEDMO C[C@@H](CC#N)[N@@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000161747531 261258692 /nfs/dbraw/zinc/25/86/92/261258692.db2.gz CRSSOTZVSOSCHQ-LBPRGKRZSA-N 1 1 277.324 2.598 20 30 CFEDMO CC[N@H+]1CCCN(C(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000368442808 261271648 /nfs/dbraw/zinc/27/16/48/261271648.db2.gz QUSUBYGPNUDOIH-KRWDZBQOSA-N 1 1 299.418 2.628 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000491201046 261367462 /nfs/dbraw/zinc/36/74/62/261367462.db2.gz FEMAWYJHWSFXIF-CQSZACIVSA-N 1 1 267.376 2.849 20 30 CFEDMO CC[N@H+](CCOc1ccc(OC)cc1)C[C@H](C)C#N ZINC000108658302 261388257 /nfs/dbraw/zinc/38/82/57/261388257.db2.gz 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C#CCCCC(=O)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000365266910 262356486 /nfs/dbraw/zinc/35/64/86/262356486.db2.gz OXTBRIYMIGVWIT-HNNXBMFYSA-N 1 1 288.435 2.513 20 30 CFEDMO N#CCSCCC[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000336733931 262385469 /nfs/dbraw/zinc/38/54/69/262385469.db2.gz UWBNIGKBMCKMDL-AWEZNQCLSA-N 1 1 268.426 2.526 20 30 CFEDMO C[C@@H](O)[C@@H]1CCCC[N@H+]1CCCCC(C)(C)C#N ZINC000336784796 262394706 /nfs/dbraw/zinc/39/47/06/262394706.db2.gz XOTXBMDYMSISEG-KGLIPLIRSA-N 1 1 252.402 2.942 20 30 CFEDMO C[C@H]1CC[N@@H+](CCCC2(C#N)CCOCC2)[C@H]1C ZINC000337200387 262433301 /nfs/dbraw/zinc/43/33/01/262433301.db2.gz ZOJUXUIACPIDGJ-KBPBESRZSA-N 1 1 250.386 2.817 20 30 CFEDMO Cn1cc(C[N@@H+](C)CCC2(C#N)CCCCC2)cn1 ZINC000411134277 262680352 /nfs/dbraw/zinc/68/03/52/262680352.db2.gz LBXVDZYWRJGWBY-UHFFFAOYSA-N 1 1 260.385 2.716 20 30 CFEDMO C[C@H]1C[N@@H+](CCC2(C#N)CCCCC2)C[C@]2(CCOC2)O1 ZINC000411667899 262702582 /nfs/dbraw/zinc/70/25/82/262702582.db2.gz XFSMZGYYWNYKSV-RDJZCZTQSA-N 1 1 292.423 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IFHRYDBSEOUGAN-ZDUSSCGKSA-N 1 1 259.353 2.558 20 30 CFEDMO C[C@H](CCC#N)[NH+]1CCN(c2ccccc2F)CC1 ZINC000276282048 263035814 /nfs/dbraw/zinc/03/58/14/263035814.db2.gz FYKUKDRVMYKHRF-CYBMUJFWSA-N 1 1 261.344 2.640 20 30 CFEDMO N#CC1CC[NH+](Cc2ccc(C(F)(F)F)cn2)CC1 ZINC000277817766 263043426 /nfs/dbraw/zinc/04/34/26/263043426.db2.gz VIMQDHIGNAIWPT-UHFFFAOYSA-N 1 1 269.270 2.836 20 30 CFEDMO C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CC(C)(C)C#N ZINC000278273497 263046384 /nfs/dbraw/zinc/04/63/84/263046384.db2.gz AZYAELHTXJDTDL-AWEZNQCLSA-N 1 1 287.407 2.563 20 30 CFEDMO N#CCCCC[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278322055 263046889 /nfs/dbraw/zinc/04/68/89/263046889.db2.gz AHBAKOYSQOKVSZ-CYBMUJFWSA-N 1 1 277.343 2.758 20 30 CFEDMO Cn1cc(Br)cc1C[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000278752977 263050538 /nfs/dbraw/zinc/05/05/38/263050538.db2.gz XEPXBCQJWCGYOY-JQWIXIFHSA-N 1 1 296.212 2.912 20 30 CFEDMO C[C@@H](CC#N)[N@H+](C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000279774137 263057170 /nfs/dbraw/zinc/05/71/70/263057170.db2.gz SWLLJBKWEYBTMC-KBXCAEBGSA-N 1 1 282.387 2.977 20 30 CFEDMO C[C@@H](CC#N)[N@@H+](C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000279774137 263057171 /nfs/dbraw/zinc/05/71/71/263057171.db2.gz SWLLJBKWEYBTMC-KBXCAEBGSA-N 1 1 282.387 2.977 20 30 CFEDMO C[C@H](CC#N)[N@H+](C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000279774152 263057263 /nfs/dbraw/zinc/05/72/63/263057263.db2.gz SWLLJBKWEYBTMC-RDTXWAMCSA-N 1 1 282.387 2.977 20 30 CFEDMO C[C@H](CC#N)[N@@H+](C)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000279774152 263057264 /nfs/dbraw/zinc/05/72/64/263057264.db2.gz SWLLJBKWEYBTMC-RDTXWAMCSA-N 1 1 282.387 2.977 20 30 CFEDMO CC[N@H+]1CC[C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)C1 ZINC000280012135 263058613 /nfs/dbraw/zinc/05/86/13/263058613.db2.gz UPAMFOMRWVRQRX-CQSZACIVSA-N 1 1 299.418 2.559 20 30 CFEDMO CC[N@@H+](CCNC(=O)c1ccc(C(C)(C)C#N)cc1)C1CC1 ZINC000280264631 263060087 /nfs/dbraw/zinc/06/00/87/263060087.db2.gz MBJLUCRZJHFERN-UHFFFAOYSA-N 1 1 299.418 2.702 20 30 CFEDMO 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C=C(C)C[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCCC ZINC000345548610 526700197 /nfs/dbraw/zinc/70/01/97/526700197.db2.gz WHPNVFZFPFXKGS-KGLIPLIRSA-N 1 1 254.418 2.825 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(F)c1 ZINC001085467497 782066539 /nfs/dbraw/zinc/06/65/39/782066539.db2.gz USVQJFFNZWZMQY-HNNXBMFYSA-N 1 1 276.355 2.548 20 30 CFEDMO N#CC1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000187085940 327943099 /nfs/dbraw/zinc/94/30/99/327943099.db2.gz ULEVWDQQNLXPFS-UHFFFAOYSA-N 1 1 298.365 2.806 20 30 CFEDMO C=CCCC[C@@H](C)NC(=O)NCCCn1cc[nH+]c1C ZINC000338058251 327965144 /nfs/dbraw/zinc/96/51/44/327965144.db2.gz XGQZJOYNSOJETC-CYBMUJFWSA-N 1 1 278.400 2.626 20 30 CFEDMO CCCCCCCCC(=O)N1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366013800 327980496 /nfs/dbraw/zinc/98/04/96/327980496.db2.gz IKDRGMAPTDTUTK-INIZCTEOSA-N 1 1 296.455 2.670 20 30 CFEDMO CC[C@H](C(=O)N[C@@H](CC)CC#N)[N@@H+](C)Cc1ccccc1 ZINC000339352631 328008504 /nfs/dbraw/zinc/00/85/04/328008504.db2.gz PKMNLQXEBFVYEV-JKSUJKDBSA-N 1 1 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328190201 /nfs/dbraw/zinc/19/02/01/328190201.db2.gz BLQSWFHYQCWBIL-UHFFFAOYSA-N 1 1 275.377 2.906 20 30 CFEDMO N#CCOc1ccc(C[N@H+]2CCOCC23CCCC3)cc1 ZINC000270663109 328193649 /nfs/dbraw/zinc/19/36/49/328193649.db2.gz QVKAISKCCQHTEW-UHFFFAOYSA-N 1 1 286.375 2.734 20 30 CFEDMO Cc1ccccc1[C@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000271504825 328196540 /nfs/dbraw/zinc/19/65/40/328196540.db2.gz HCONXCTVJPZYEA-INIZCTEOSA-N 1 1 299.418 2.547 20 30 CFEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@H](C)CCC#N ZINC000276361186 328218131 /nfs/dbraw/zinc/21/81/31/328218131.db2.gz YTQHYWORHGUSCW-GFCCVEGCSA-N 1 1 260.337 2.929 20 30 CFEDMO Cc1cccc(NC(=O)C[N@@H+](C)[C@@H]2CC[C@H](C#N)C2)c1C ZINC000278532913 328226313 /nfs/dbraw/zinc/22/63/13/328226313.db2.gz FIJKHXAYQNSDEQ-LSDHHAIUSA-N 1 1 285.391 2.866 20 30 CFEDMO Cc1cccc(NC(=O)C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)c1C ZINC000278532913 328226315 /nfs/dbraw/zinc/22/63/15/328226315.db2.gz FIJKHXAYQNSDEQ-LSDHHAIUSA-N 1 1 285.391 2.866 20 30 CFEDMO CC[NH+](CC)[C@H](C)CN[C@@H](C)c1ccc(OCC#N)cc1 ZINC000280205473 328234942 /nfs/dbraw/zinc/23/49/42/328234942.db2.gz SYWIZBGGJHMKPG-CABCVRRESA-N 1 1 289.423 2.970 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1ccnn1-c1ccccc1C ZINC000279869450 328233480 /nfs/dbraw/zinc/23/34/80/328233480.db2.gz JLZRBUAZJASYRL-AWEZNQCLSA-N 1 1 268.364 2.963 20 30 CFEDMO C=CCc1cc(C[NH2+][C@H](CN)CC(C)C)cc(OC)c1O ZINC000414841491 328233884 /nfs/dbraw/zinc/23/38/84/328233884.db2.gz NHKLITIMUPLJPP-HNNXBMFYSA-N 1 1 292.423 2.592 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000181328718 329231369 /nfs/dbraw/zinc/23/13/69/329231369.db2.gz DHYIKKDJCBTDGV-HNNXBMFYSA-N 1 1 274.408 2.850 20 30 CFEDMO CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCCC#N ZINC000184013371 329252261 /nfs/dbraw/zinc/25/22/61/329252261.db2.gz FDNPVQMWLXCFLP-OAHLLOKOSA-N 1 1 257.381 2.891 20 30 CFEDMO Cc1cc(CO[NH+]=C(N)CCCc2ccccc2)ncn1 ZINC000291864132 328267149 /nfs/dbraw/zinc/26/71/49/328267149.db2.gz JEKIBKFYGYULGK-UHFFFAOYSA-N 1 1 284.363 2.597 20 30 CFEDMO N#CCCOCC[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000293165868 328274662 /nfs/dbraw/zinc/27/46/62/328274662.db2.gz RTGMAHSYAJGDSD-HNNXBMFYSA-N 1 1 276.355 2.620 20 30 CFEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H]2C)cc1 ZINC000293523674 328276427 /nfs/dbraw/zinc/27/64/27/328276427.db2.gz WFTFYHSROZXTCG-OAGGEKHMSA-N 1 1 299.418 2.970 20 30 CFEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H]2C)cc1 ZINC000293523674 328276428 /nfs/dbraw/zinc/27/64/28/328276428.db2.gz WFTFYHSROZXTCG-OAGGEKHMSA-N 1 1 299.418 2.970 20 30 CFEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@@H]2C)cc1 ZINC000293523676 328276436 /nfs/dbraw/zinc/27/64/36/328276436.db2.gz WFTFYHSROZXTCG-PMPSAXMXSA-N 1 1 299.418 2.970 20 30 CFEDMO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@@H]2C)cc1 ZINC000293523676 328276437 /nfs/dbraw/zinc/27/64/37/328276437.db2.gz WFTFYHSROZXTCG-PMPSAXMXSA-N 1 1 299.418 2.970 20 30 CFEDMO CS[C@H]1CC[N@@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000296262834 328289854 /nfs/dbraw/zinc/28/98/54/328289854.db2.gz LXDYCNJLYWSQIC-AWEZNQCLSA-N 1 1 262.378 2.526 20 30 CFEDMO CCCn1ccnc1CCC[N@@H+](C)[C@H](C)CCC#N ZINC000298628365 328296928 /nfs/dbraw/zinc/29/69/28/328296928.db2.gz VNXORRCPRLZGRW-CQSZACIVSA-N 1 1 262.401 2.850 20 30 CFEDMO Cc1cn(Cc2cccc(C[NH+]3CCOCC3)c2)cc1C#N ZINC000569800123 322496669 /nfs/dbraw/zinc/49/66/69/322496669.db2.gz RRHADOOAARBHJA-UHFFFAOYSA-N 1 1 295.386 2.549 20 30 CFEDMO C=CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000121149853 328365075 /nfs/dbraw/zinc/36/50/75/328365075.db2.gz IFJMCHKCQONHDX-LBPRGKRZSA-N 1 1 291.351 2.820 20 30 CFEDMO Cc1cccc2nc(C[NH2+]Cc3ccc(C#N)s3)cn21 ZINC000176967229 323687162 /nfs/dbraw/zinc/68/71/62/323687162.db2.gz LSIDENLIKVIJKR-UHFFFAOYSA-N 1 1 282.372 2.866 20 30 CFEDMO C[N@@H+](CCSc1cc(C#N)ncn1)Cc1ccccc1 ZINC000580271083 325020024 /nfs/dbraw/zinc/02/00/24/325020024.db2.gz CPZCTVHYFRNGRG-UHFFFAOYSA-N 1 1 284.388 2.572 20 30 CFEDMO N#Cc1csc(C[NH+]2CCc3ccccc3CC2)n1 ZINC000580384230 325030656 /nfs/dbraw/zinc/03/06/56/325030656.db2.gz KRBMDKXOXVVNCM-UHFFFAOYSA-N 1 1 269.373 2.616 20 30 CFEDMO CC(C)c1[nH+]ccn1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000580652068 325053819 /nfs/dbraw/zinc/05/38/19/325053819.db2.gz YJKMCZGPSMPDRZ-UHFFFAOYSA-N 1 1 270.292 2.835 20 30 CFEDMO Cc1nc(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)n[nH]1 ZINC000580767230 325061294 /nfs/dbraw/zinc/06/12/94/325061294.db2.gz FSNAJFKZYLPPHI-MRXNPFEDSA-N 1 1 295.390 2.585 20 30 CFEDMO Cc1nnc(CC[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)[nH]1 ZINC000580767230 325061296 /nfs/dbraw/zinc/06/12/96/325061296.db2.gz FSNAJFKZYLPPHI-MRXNPFEDSA-N 1 1 295.390 2.585 20 30 CFEDMO C[N@H+]1Cc2ccc(NCc3nc(C#N)cs3)cc2C1 ZINC000580863577 325070168 /nfs/dbraw/zinc/07/01/68/325070168.db2.gz RTCPVWKATGDUJW-UHFFFAOYSA-N 1 1 270.361 2.572 20 30 CFEDMO CC(=O)c1ccc(C#N)c(NC[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000583289483 325275018 /nfs/dbraw/zinc/27/50/18/325275018.db2.gz BVSZLUMLUUXPNM-CYBMUJFWSA-N 1 1 283.375 2.657 20 30 CFEDMO 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CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000181311994 329231357 /nfs/dbraw/zinc/23/13/57/329231357.db2.gz ICVOPBRWPKGLKZ-AWEZNQCLSA-N 1 1 260.381 2.541 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N(CC)c1ccccc1 ZINC000181330949 329231519 /nfs/dbraw/zinc/23/15/19/329231519.db2.gz QWXQYCQLJPFFSW-CQSZACIVSA-N 1 1 260.381 2.936 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000181325118 329231714 /nfs/dbraw/zinc/23/17/14/329231714.db2.gz NVVHWCUEEJDWFU-GFCCVEGCSA-N 1 1 278.421 2.529 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000183117103 329244774 /nfs/dbraw/zinc/24/47/74/329244774.db2.gz VVRIJXMKEARWGL-MRXNPFEDSA-N 1 1 283.375 2.562 20 30 CFEDMO CC#CCCCC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000185079942 329267792 /nfs/dbraw/zinc/26/77/92/329267792.db2.gz UKOIBILCVYRPBK-UHFFFAOYSA-N 1 1 298.430 2.567 20 30 CFEDMO C#CCC(C)(C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000185912892 329332639 /nfs/dbraw/zinc/33/26/39/329332639.db2.gz PETDQFYEVSZLBE-GOEBONIOSA-N 1 1 288.435 2.511 20 30 CFEDMO CC#CCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000185913004 329332655 /nfs/dbraw/zinc/33/26/55/329332655.db2.gz NGGRKXRECPTXAM-RDJZCZTQSA-N 1 1 288.435 2.655 20 30 CFEDMO C#CCC(C)(C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000185912870 329332691 /nfs/dbraw/zinc/33/26/91/329332691.db2.gz PETDQFYEVSZLBE-ZBFHGGJFSA-N 1 1 288.435 2.511 20 30 CFEDMO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CC#N)CC1 ZINC000397177478 329346178 /nfs/dbraw/zinc/34/61/78/329346178.db2.gz WOGGCLNBTHEIOW-UHFFFAOYSA-N 1 1 289.335 2.729 20 30 CFEDMO C#CCCCCC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000119897696 329548689 /nfs/dbraw/zinc/54/86/89/329548689.db2.gz YKRXALOXCSSDLN-UHFFFAOYSA-N 1 1 299.418 2.669 20 30 CFEDMO C=CCC[C@@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)C1CC1 ZINC000120068222 329917897 /nfs/dbraw/zinc/91/78/97/329917897.db2.gz OBZNMDSMKNOWIQ-QZTJIDSGSA-N 1 1 293.499 2.593 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC000079209519 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/nfs/dbraw/zinc/09/92/01/335099201.db2.gz SXKJGKJJPBLELG-MSOLQXFVSA-N 1 1 283.419 2.669 20 30 CFEDMO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000335990757 335099202 /nfs/dbraw/zinc/09/92/02/335099202.db2.gz SXKJGKJJPBLELG-MSOLQXFVSA-N 1 1 283.419 2.669 20 30 CFEDMO C[N@H+]1CCC[C@@H]2CN(Cc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000335990757 335099204 /nfs/dbraw/zinc/09/92/04/335099204.db2.gz SXKJGKJJPBLELG-MSOLQXFVSA-N 1 1 283.419 2.669 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC000491715190 332305522 /nfs/dbraw/zinc/30/55/22/332305522.db2.gz ITVYLGRMSHECRS-NSHDSACASA-N 1 1 253.292 2.784 20 30 CFEDMO C#CC[N@H+](Cc1ncccc1O)[C@@H]1CCc2ccccc21 ZINC000491728512 332311227 /nfs/dbraw/zinc/31/12/27/332311227.db2.gz MKJRZBSZFQLLCJ-QGZVFWFLSA-N 1 1 278.355 2.910 20 30 CFEDMO C#C[C@H](CC)NC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000491732172 332313594 /nfs/dbraw/zinc/31/35/94/332313594.db2.gz HGJQWJHPCJVXOL-DJIMGWMZSA-N 1 1 299.418 2.533 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=S)Nc1ccccc1Cl ZINC000491746942 332324350 /nfs/dbraw/zinc/32/43/50/332324350.db2.gz VPCDNJYXFXDZHR-UHFFFAOYSA-N 1 1 295.839 2.582 20 30 CFEDMO C#CC[N@H+](Cc1c[nH]c2nccnc12)Cc1ccc(F)cc1 ZINC000491764187 332332921 /nfs/dbraw/zinc/33/29/21/332332921.db2.gz BDHPLWNFTWGBCO-UHFFFAOYSA-N 1 1 294.333 2.684 20 30 CFEDMO C#CC[N@@H+](Cc1c[nH]c2nccnc12)Cc1ccc(F)cc1 ZINC000491764187 332332922 /nfs/dbraw/zinc/33/29/22/332332922.db2.gz BDHPLWNFTWGBCO-UHFFFAOYSA-N 1 1 294.333 2.684 20 30 CFEDMO C#CC[N@H+](Cc1cc(CC=C)c(O)c(OC)c1)C1CC1 ZINC000491782357 332346217 /nfs/dbraw/zinc/34/62/17/332346217.db2.gz LUHGLPIPBGTDNF-UHFFFAOYSA-N 1 1 271.360 2.727 20 30 CFEDMO C#CC[N@H+](Cc1c[nH]nc1-c1ccc(OC)cc1)C1CC1 ZINC000491786076 332348891 /nfs/dbraw/zinc/34/88/91/332348891.db2.gz TTXVKLXRBIEYPP-UHFFFAOYSA-N 1 1 281.359 2.683 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)CC[C@H](C)c1ccccc1 ZINC000491790634 332352704 /nfs/dbraw/zinc/35/27/04/332352704.db2.gz ZVIOBWMKRCGCGF-INIZCTEOSA-N 1 1 286.419 2.642 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000491814392 332365810 /nfs/dbraw/zinc/36/58/10/332365810.db2.gz NEACNQKERCGSAK-CYBMUJFWSA-N 1 1 296.336 2.636 20 30 CFEDMO C#CCN(C)CCC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000491814392 332365812 /nfs/dbraw/zinc/36/58/12/332365812.db2.gz NEACNQKERCGSAK-CYBMUJFWSA-N 1 1 296.336 2.636 20 30 CFEDMO CC(C)CCC[C@@H](C)NC(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000506011844 332759521 /nfs/dbraw/zinc/75/95/21/332759521.db2.gz FJGSVHFSGDZABK-OAHLLOKOSA-N 1 1 293.455 2.943 20 30 CFEDMO CC[C@](C)(C#N)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336711986 335114297 /nfs/dbraw/zinc/11/42/97/335114297.db2.gz LQBFEKVVDOMVFU-SJLPKXTDSA-N 1 1 299.418 2.565 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@H+](C)CCCC ZINC000575783072 335114699 /nfs/dbraw/zinc/11/46/99/335114699.db2.gz BESAQKIPYCHIMR-DZGCQCFKSA-N 1 1 254.418 2.825 20 30 CFEDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CCC#N)c1ccccc1 ZINC000174508515 333001088 /nfs/dbraw/zinc/00/10/88/333001088.db2.gz KZZZSMCZGIHGCE-GASCZTMLSA-N 1 1 285.391 2.806 20 30 CFEDMO CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCCC(C)(C)C#N ZINC000174860202 333009335 /nfs/dbraw/zinc/00/93/35/333009335.db2.gz RUMGQXWQVNRBGT-CQSZACIVSA-N 1 1 279.428 2.649 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1cc(Br)cs1 ZINC000307105889 333012456 /nfs/dbraw/zinc/01/24/56/333012456.db2.gz YACHZZNSPGUACH-MRVPVSSYSA-N 1 1 258.184 2.964 20 30 CFEDMO CC#CCC[NH2+][C@@H](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309807472 333049904 /nfs/dbraw/zinc/04/99/04/333049904.db2.gz VBXGISKJXURSJL-WMZOPIPTSA-N 1 1 270.420 2.900 20 30 CFEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000521042430 333110486 /nfs/dbraw/zinc/11/04/86/333110486.db2.gz GYFNMBNABCTOGG-JKIFEVAISA-N 1 1 271.408 2.571 20 30 CFEDMO C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000521042430 333110488 /nfs/dbraw/zinc/11/04/88/333110488.db2.gz GYFNMBNABCTOGG-JKIFEVAISA-N 1 1 271.408 2.571 20 30 CFEDMO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(CC#N)cc1 ZINC000521042430 333110489 /nfs/dbraw/zinc/11/04/89/333110489.db2.gz GYFNMBNABCTOGG-JKIFEVAISA-N 1 1 271.408 2.571 20 30 CFEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCc1ccc(CC#N)cc1 ZINC000521042430 333110491 /nfs/dbraw/zinc/11/04/91/333110491.db2.gz GYFNMBNABCTOGG-JKIFEVAISA-N 1 1 271.408 2.571 20 30 CFEDMO N#CCC[C@@H](C#N)C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000580773602 335125085 /nfs/dbraw/zinc/12/50/85/335125085.db2.gz FKPJRWMVGJJQKN-WFASDCNBSA-N 1 1 291.782 2.797 20 30 CFEDMO COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](C#N)CCC#N ZINC000521862550 333194268 /nfs/dbraw/zinc/19/42/68/333194268.db2.gz CSXSVFJSCVWRGM-WFASDCNBSA-N 1 1 269.348 2.716 20 30 CFEDMO C=C[C@](C)(CC)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000189986555 333201494 /nfs/dbraw/zinc/20/14/94/333201494.db2.gz MUTHJECNHIMQPM-CKEIUWERSA-N 1 1 296.455 2.593 20 30 CFEDMO CC[N@@H+](CCC(=O)Nc1ccccc1F)C[C@@H](C)C#N ZINC000195435012 333253121 /nfs/dbraw/zinc/25/31/21/333253121.db2.gz XFFBEIBEOIVTTM-LBPRGKRZSA-N 1 1 277.343 2.636 20 30 CFEDMO C=CCCCCC[N@H+]1CCN(CC(C)(C)O)C[C@@H]1C ZINC000193571343 333253356 /nfs/dbraw/zinc/25/33/56/333253356.db2.gz PLTQXLOHZJALNU-HNNXBMFYSA-N 1 1 268.445 2.510 20 30 CFEDMO C=CCCCCC[N@@H+]1CCN(CC(C)(C)O)C[C@@H]1C ZINC000193571343 333253357 /nfs/dbraw/zinc/25/33/57/333253357.db2.gz PLTQXLOHZJALNU-HNNXBMFYSA-N 1 1 268.445 2.510 20 30 CFEDMO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000232531492 333338319 /nfs/dbraw/zinc/33/83/19/333338319.db2.gz RYUPJYKCKXGYIQ-OAHLLOKOSA-N 1 1 263.429 2.877 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000232531492 333338320 /nfs/dbraw/zinc/33/83/20/333338320.db2.gz RYUPJYKCKXGYIQ-OAHLLOKOSA-N 1 1 263.429 2.877 20 30 CFEDMO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338235387 335135307 /nfs/dbraw/zinc/13/53/07/335135307.db2.gz OHYTWEYZJWCEKP-HOCLYGCPSA-N 1 1 299.418 2.563 20 30 CFEDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)CCCO1 ZINC000339823960 335149084 /nfs/dbraw/zinc/14/90/84/335149084.db2.gz YSMJGFSKRRAUOH-KRWDZBQOSA-N 1 1 272.392 3.000 20 30 CFEDMO C[C@H](C#N)CN[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2)C1 ZINC000546655313 334044053 /nfs/dbraw/zinc/04/40/53/334044053.db2.gz JXTXXNBGZSNBIJ-ZMSDIMECSA-N 1 1 271.408 2.646 20 30 CFEDMO C[C@H](C#N)C[NH2+][C@@H]1C[C@H](C)CN(Cc2ccccc2)C1 ZINC000546655313 334044054 /nfs/dbraw/zinc/04/40/54/334044054.db2.gz JXTXXNBGZSNBIJ-ZMSDIMECSA-N 1 1 271.408 2.646 20 30 CFEDMO C[C@@H](C#N)C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000547323467 334079055 /nfs/dbraw/zinc/07/90/55/334079055.db2.gz YBMBPDALZLQFIM-LBPRGKRZSA-N 1 1 274.364 2.891 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)CC1CCCCC1 ZINC000076875023 334090358 /nfs/dbraw/zinc/09/03/58/334090358.db2.gz GHQIRPHSRRFUKI-CQSZACIVSA-N 1 1 279.428 2.507 20 30 CFEDMO OC[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1Cl ZINC000134987713 334110768 /nfs/dbraw/zinc/11/07/68/334110768.db2.gz XPPUVEYJXZLYIE-AWEZNQCLSA-N 1 1 263.768 2.538 20 30 CFEDMO OC[C@@H]1CCCC[N@H+]1CC#Cc1ccccc1Cl ZINC000134987713 334110769 /nfs/dbraw/zinc/11/07/69/334110769.db2.gz XPPUVEYJXZLYIE-AWEZNQCLSA-N 1 1 263.768 2.538 20 30 CFEDMO C[N@@H+](CC#Cc1ccccc1Cl)C[C@@H]1CCOC1 ZINC000135127457 334116869 /nfs/dbraw/zinc/11/68/69/334116869.db2.gz BDPSTCMUIUVGDE-ZDUSSCGKSA-N 1 1 263.768 2.660 20 30 CFEDMO C=CCCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548064618 334137818 /nfs/dbraw/zinc/13/78/18/334137818.db2.gz MEJUFOOGFFYGAJ-UHFFFAOYSA-N 1 1 252.402 2.723 20 30 CFEDMO C=C(C)[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(F)c(F)c1 ZINC000548150925 334143261 /nfs/dbraw/zinc/14/32/61/334143261.db2.gz HNORZKFGFQTNDY-DOMZBBRYSA-N 1 1 294.345 2.650 20 30 CFEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548752668 334169637 /nfs/dbraw/zinc/16/96/37/334169637.db2.gz SRNDABDXUSPAGN-QLFBSQMISA-N 1 1 285.391 2.804 20 30 CFEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1[C@H](C)C[C@@H]1C ZINC000548752668 334169638 /nfs/dbraw/zinc/16/96/38/334169638.db2.gz SRNDABDXUSPAGN-QLFBSQMISA-N 1 1 285.391 2.804 20 30 CFEDMO CC[C@H](F)C[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548798071 334174632 /nfs/dbraw/zinc/17/46/32/334174632.db2.gz NEBOYZCALAWOFS-ZDUSSCGKSA-N 1 1 261.344 2.687 20 30 CFEDMO N#CCC[N@H+](CCC(=O)Nc1ccc(C#N)cc1)CC1CC1 ZINC000081044478 334177117 /nfs/dbraw/zinc/17/71/17/334177117.db2.gz LEOOUSRPOWSJPD-UHFFFAOYSA-N 1 1 296.374 2.513 20 30 CFEDMO C#CC[N@H+](CC[C@@H]1CCOC1=O)[C@H]1CCc2ccccc21 ZINC000246354056 334252563 /nfs/dbraw/zinc/25/25/63/334252563.db2.gz GJOQZHBLRLARAP-WBVHZDCISA-N 1 1 283.371 2.562 20 30 CFEDMO C[C@H]1C[C@H](c2ccccc2)[N@@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000552024657 334278041 /nfs/dbraw/zinc/27/80/41/334278041.db2.gz BZUIQJLDXJWNSI-GOEBONIOSA-N 1 1 297.402 2.632 20 30 CFEDMO C=C(C)CC[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000552072206 334285889 /nfs/dbraw/zinc/28/58/89/334285889.db2.gz KKQXRZGDTCMKAF-NSHDSACASA-N 1 1 251.292 2.996 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1C[C@@H](C)[C@H]2CCCC[C@H]21 ZINC000248454011 334302588 /nfs/dbraw/zinc/30/25/88/334302588.db2.gz ZFMBOTVIGZKXLH-KCYZZUKISA-N 1 1 291.439 2.551 20 30 CFEDMO N#C[C@@H]1CCC[C@@H](N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000248875414 334320401 /nfs/dbraw/zinc/32/04/01/334320401.db2.gz JESBVCIUOUJGLN-BRWVUGGUSA-N 1 1 275.440 2.923 20 30 CFEDMO N#C[C@@H]1CCC[C@@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000248875414 334320402 /nfs/dbraw/zinc/32/04/02/334320402.db2.gz JESBVCIUOUJGLN-BRWVUGGUSA-N 1 1 275.440 2.923 20 30 CFEDMO C=CCC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000249550149 334336384 /nfs/dbraw/zinc/33/63/84/334336384.db2.gz HRJZLMRWWYAQEI-IAGOWNOFSA-N 1 1 286.419 2.947 20 30 CFEDMO C=CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000249591656 334337618 /nfs/dbraw/zinc/33/76/18/334337618.db2.gz VOUBGUHLFYWPQM-HZPDHXFCSA-N 1 1 272.392 2.557 20 30 CFEDMO CC(C)(C)OC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000164920684 334890443 /nfs/dbraw/zinc/89/04/43/334890443.db2.gz BGUWLHHFWRCJIM-CYBMUJFWSA-N 1 1 263.385 2.709 20 30 CFEDMO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000342693764 335185534 /nfs/dbraw/zinc/18/55/34/335185534.db2.gz 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C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](N(C)C)[C@H]1C ZINC000931042993 618386001 /nfs/dbraw/zinc/38/60/01/618386001.db2.gz PLARYVYYXPTHCA-IOASZLSFSA-N 1 1 257.381 2.644 20 30 CFEDMO CC[N@@H+](Cc1csc(C#N)c1)[C@@H]1CCCOC1 ZINC000895154589 618400601 /nfs/dbraw/zinc/40/06/01/618400601.db2.gz ZCYSEORWQHWGKJ-GFCCVEGCSA-N 1 1 250.367 2.621 20 30 CFEDMO CC(C)NC(=O)[C@@H]1CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000931065333 618401419 /nfs/dbraw/zinc/40/14/19/618401419.db2.gz NYWCFDACVYRBKC-UYSNPLJNSA-N 1 1 291.439 2.553 20 30 CFEDMO CCCCCCCC[N@H+]1CCC[C@H](C(=O)NC)C1 ZINC000142042066 618404830 /nfs/dbraw/zinc/40/48/30/618404830.db2.gz KIFFTYXPMGMVQH-AWEZNQCLSA-N 1 1 254.418 2.805 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC1(C)C ZINC001024608448 618413208 /nfs/dbraw/zinc/41/32/08/618413208.db2.gz PMRYYEZKPPWHLX-HOTGVXAUSA-N 1 1 290.451 2.807 20 30 CFEDMO C[N@H+]1CCC[C@H](CCNc2cc(C#N)sc2[N+](=O)[O-])C1 ZINC000894168289 618416423 /nfs/dbraw/zinc/41/64/23/618416423.db2.gz 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CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC12CCCC2 ZINC001024745197 618459377 /nfs/dbraw/zinc/45/93/77/618459377.db2.gz QDIPPLPHKAVFMB-HOTGVXAUSA-N 1 1 288.435 2.561 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncccc1Cl ZINC001024767989 618466311 /nfs/dbraw/zinc/46/63/11/618466311.db2.gz MMBYLESKPJPFMJ-GFCCVEGCSA-N 1 1 293.798 2.505 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc(Cl)cc1 ZINC001024772634 618467080 /nfs/dbraw/zinc/46/70/80/618467080.db2.gz XOGQIRKASOSYER-HNNXBMFYSA-N 1 1 290.794 2.558 20 30 CFEDMO C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1C ZINC001024780539 618468680 /nfs/dbraw/zinc/46/86/80/618468680.db2.gz XQYIZSPOUYCZCN-MRXNPFEDSA-N 1 1 284.403 2.521 20 30 CFEDMO C#C[C@H]1CCC[N@H+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000895205114 618469910 /nfs/dbraw/zinc/46/99/10/618469910.db2.gz MKGDRXXDKODYGX-SOUVJXGZSA-N 1 1 292.423 2.635 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C)c(C)c1 ZINC001024787807 618470215 /nfs/dbraw/zinc/47/02/15/618470215.db2.gz 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GAUCCJFIJQXPBB-XUWVNRHRSA-N 1 1 276.424 2.674 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000180950602 618680940 /nfs/dbraw/zinc/68/09/40/618680940.db2.gz LXXQZYYOJQZTPW-MCIONIFRSA-N 1 1 274.364 2.587 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000180950602 618680946 /nfs/dbraw/zinc/68/09/46/618680946.db2.gz LXXQZYYOJQZTPW-MCIONIFRSA-N 1 1 274.364 2.587 20 30 CFEDMO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(C)C ZINC001018123370 618685653 /nfs/dbraw/zinc/68/56/53/618685653.db2.gz MGHFJPOLOHTYAY-QKPAOTATSA-N 1 1 276.424 2.530 20 30 CFEDMO C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]1C(C)C ZINC001018123370 618685657 /nfs/dbraw/zinc/68/56/57/618685657.db2.gz MGHFJPOLOHTYAY-QKPAOTATSA-N 1 1 276.424 2.530 20 30 CFEDMO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC(F)(F)C2)C1 ZINC001007469782 618687132 /nfs/dbraw/zinc/68/71/32/618687132.db2.gz PWLAOHQCLOZQPW-QWHCGFSZSA-N 1 1 286.366 2.579 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCCCCC2)C1 ZINC001007512821 618690528 /nfs/dbraw/zinc/69/05/28/618690528.db2.gz SHLLCFFRVRGPSX-INIZCTEOSA-N 1 1 290.451 2.951 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000935942853 618712848 /nfs/dbraw/zinc/71/28/48/618712848.db2.gz HQNFQPCJERARGI-RDGKXADDSA-N 1 1 264.413 2.672 20 30 CFEDMO C#CCOCC[N@H+](CC)Cc1cccc(Cl)c1 ZINC000851727063 618727285 /nfs/dbraw/zinc/72/72/85/618727285.db2.gz ABFWFZCDGMYZRA-UHFFFAOYSA-N 1 1 251.757 2.812 20 30 CFEDMO CC(C)(C[NH+]1CCCC1)NCc1ccc(OCC#N)cc1 ZINC000308640823 618782438 /nfs/dbraw/zinc/78/24/38/618782438.db2.gz FWLOCGBDGWLTEW-UHFFFAOYSA-N 1 1 287.407 2.553 20 30 CFEDMO Cc1ncc(CO[NH+]=C(N)C2CCCCC2)s1 ZINC000195168930 618947644 /nfs/dbraw/zinc/94/76/44/618947644.db2.gz PTYGXHASUALVIH-UHFFFAOYSA-N 1 1 253.371 2.821 20 30 CFEDMO C[N@@H+](CCCCC#N)CC(=O)Nc1ccccc1Cl ZINC000198681019 618972851 /nfs/dbraw/zinc/97/28/51/618972851.db2.gz REGKRDBSSRMCKN-UHFFFAOYSA-N 1 1 279.771 2.904 20 30 CFEDMO 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APLJTXRDDPBJDO-QWRGUYRKSA-N 1 1 270.311 2.899 20 30 CFEDMO C[C@@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cn(C)nn1 ZINC000903001233 621225581 /nfs/dbraw/zinc/22/55/81/621225581.db2.gz RHGIYFYCXDDGDW-HIFRSBDPSA-N 1 1 283.379 2.901 20 30 CFEDMO CC[C@H]([NH2+]Cc1nnc(C2CC2)[nH]1)c1cccc(C#N)c1 ZINC000903005766 621227898 /nfs/dbraw/zinc/22/78/98/621227898.db2.gz ZMSKXCCMERUSBH-AWEZNQCLSA-N 1 1 281.363 2.795 20 30 CFEDMO COC(=O)c1csc([C@H](C)[NH2+]CC2(C#N)CCC2)c1 ZINC000903035674 621230910 /nfs/dbraw/zinc/23/09/10/621230910.db2.gz SIWDWQPSZSSYSM-JTQLQIEISA-N 1 1 278.377 2.879 20 30 CFEDMO CC(C)C[N@@H+](C)CCCN[C@H](C)c1cc(C#N)ccn1 ZINC000903039768 621231690 /nfs/dbraw/zinc/23/16/90/621231690.db2.gz XMRWOUVIEYYBME-CQSZACIVSA-N 1 1 274.412 2.582 20 30 CFEDMO C=CCn1cc(C[NH2+][C@@H](CC)c2cccc(C#N)c2)nn1 ZINC000903026462 621234536 /nfs/dbraw/zinc/23/45/36/621234536.db2.gz PGPSCNRKDYYCLF-INIZCTEOSA-N 1 1 281.363 2.577 20 30 CFEDMO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cc(C#N)ccn1 ZINC000903049992 621241529 /nfs/dbraw/zinc/24/15/29/621241529.db2.gz NFJOFDLBAGOPBE-JECHBYEQSA-N 1 1 279.343 2.782 20 30 CFEDMO COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC(C)(C)C#N ZINC000903100547 621252812 /nfs/dbraw/zinc/25/28/12/621252812.db2.gz SGYBSSYTPKCUGG-LLVKDONJSA-N 1 1 289.379 2.854 20 30 CFEDMO COc1ncc([C@H](C)[NH2+]CC(C)(C)C#N)cc1Cl ZINC000903102310 621253221 /nfs/dbraw/zinc/25/32/21/621253221.db2.gz VZPMJCHTSDDIIS-VIFPVBQESA-N 1 1 267.760 2.944 20 30 CFEDMO COc1ncc([C@@H](C)[NH2+]CC(C)(C)C#N)cc1Cl ZINC000903102309 621253246 /nfs/dbraw/zinc/25/32/46/621253246.db2.gz VZPMJCHTSDDIIS-SECBINFHSA-N 1 1 267.760 2.944 20 30 CFEDMO CCc1nc2c(s1)[C@H]([NH2+]CC1(C#N)CC1)CCC2 ZINC000903105406 621255064 /nfs/dbraw/zinc/25/50/64/621255064.db2.gz CCXGZXZOHBAEDT-SNVBAGLBSA-N 1 1 261.394 2.976 20 30 CFEDMO CC[C@H]([NH2+]CC1(C#N)CC1)c1ccc(C(=O)OC)cc1 ZINC000903106050 621255179 /nfs/dbraw/zinc/25/51/79/621255179.db2.gz LSWBVTVWCYXFAK-AWEZNQCLSA-N 1 1 272.348 2.818 20 30 CFEDMO C[C@H](C#N)OCC[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1 ZINC000801951098 621259943 /nfs/dbraw/zinc/25/99/43/621259943.db2.gz ABVOALOTJRJAQT-SFYZADRCSA-N 1 1 293.314 2.741 20 30 CFEDMO N#Cc1ccc(F)c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903120293 621260626 /nfs/dbraw/zinc/26/06/26/621260626.db2.gz NCRMNTMCKFTQIC-ZXFUBFMLSA-N 1 1 299.393 2.945 20 30 CFEDMO C[C@H]([NH2+]Cc1cc(N(C)C)ccn1)c1cccc(C#N)c1 ZINC000903198378 621282851 /nfs/dbraw/zinc/28/28/51/621282851.db2.gz KAFPIDIVVVEQOW-ZDUSSCGKSA-N 1 1 280.375 2.870 20 30 CFEDMO C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)c1cc(C#N)ccn1 ZINC000903239222 621294457 /nfs/dbraw/zinc/29/44/57/621294457.db2.gz BIHDQPZERLLOSB-ZDUSSCGKSA-N 1 1 295.390 2.801 20 30 CFEDMO COc1ccc2c(c1)[C@H]([NH2+]Cc1nc(C#N)cs1)CC2 ZINC000903262734 621303611 /nfs/dbraw/zinc/30/36/11/621303611.db2.gz HIFIVOVZPLQZAG-CQSZACIVSA-N 1 1 285.372 2.800 20 30 CFEDMO CC[C@H]([NH2+]Cc1cn(C)cn1)c1cccc(C#N)c1 ZINC000903351178 621343240 /nfs/dbraw/zinc/34/32/40/621343240.db2.gz ILOCVSZNFXKNID-HNNXBMFYSA-N 1 1 254.337 2.533 20 30 CFEDMO N#CC1CCC(C[N@@H+](CCN)CCc2ccccc2)CC1 ZINC000903452906 621387701 /nfs/dbraw/zinc/38/77/01/621387701.db2.gz VYNKNHULTQFVTC-UHFFFAOYSA-N 1 1 285.435 2.820 20 30 CFEDMO N#CC1CCC(CN(CC[NH3+])CCc2ccccc2)CC1 ZINC000903452906 621387704 /nfs/dbraw/zinc/38/77/04/621387704.db2.gz VYNKNHULTQFVTC-UHFFFAOYSA-N 1 1 285.435 2.820 20 30 CFEDMO CN(Cc1cc(C#N)cs1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000903827173 621451016 /nfs/dbraw/zinc/45/10/16/621451016.db2.gz PRJMYFPSIAIXOI-UHFFFAOYSA-N 1 1 297.427 2.897 20 30 CFEDMO N#Cc1ccc(C2([NH2+]C[C@@H](N)CC(F)F)CCC2)cc1 ZINC000903931158 621476618 /nfs/dbraw/zinc/47/66/18/621476618.db2.gz AAQCETHOPIZVHE-ZDUSSCGKSA-N 1 1 279.334 2.510 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000832718605 625494730 /nfs/dbraw/zinc/49/47/30/625494730.db2.gz LKZJOAXJZBENGQ-CQSZACIVSA-N 1 1 289.423 2.863 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000832721888 625496361 /nfs/dbraw/zinc/49/63/61/625496361.db2.gz RATFSKVEVRDEAA-CYBMUJFWSA-N 1 1 284.469 2.532 20 30 CFEDMO C[NH+](C)C1(C(=O)N(O)Cc2cccc3ccccc32)CC1 ZINC000904173512 621542316 /nfs/dbraw/zinc/54/23/16/621542316.db2.gz SQOHKAALHPGSRH-UHFFFAOYSA-N 1 1 284.359 2.652 20 30 CFEDMO CCCCCCN(O)C(=O)Cn1cc[nH+]c1C(C)C ZINC000904207138 621543933 /nfs/dbraw/zinc/54/39/33/621543933.db2.gz RODJVTQLHAZKGC-UHFFFAOYSA-N 1 1 267.373 2.805 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc(-c2cc(C)ccn2)no1 ZINC000904548043 621606964 /nfs/dbraw/zinc/60/69/64/621606964.db2.gz IEJRFJLJWOMOAE-LLVKDONJSA-N 1 1 258.325 2.796 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(Cc2ccc(C)nc2)no1 ZINC000904572673 621611756 /nfs/dbraw/zinc/61/17/56/621611756.db2.gz MXXKXTXYVZJFIA-ZDUSSCGKSA-N 1 1 272.352 2.720 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc(CCC2CCOCC2)no1 ZINC000904725927 621625232 /nfs/dbraw/zinc/62/52/32/621625232.db2.gz XULMIWVHKXLXRV-ZDUSSCGKSA-N 1 1 279.384 2.785 20 30 CFEDMO C=CCCC[C@H]([NH3+])c1nc([C@H](CCC)OC)no1 ZINC000904727514 621632522 /nfs/dbraw/zinc/63/25/22/621632522.db2.gz INBNMVBIXFSBDY-QWRGUYRKSA-N 1 1 253.346 2.913 20 30 CFEDMO C=CCCC[C@@H]([NH3+])c1nc([C@H](CCC)OC)no1 ZINC000904727513 621632608 /nfs/dbraw/zinc/63/26/08/621632608.db2.gz INBNMVBIXFSBDY-MNOVXSKESA-N 1 1 253.346 2.913 20 30 CFEDMO CC[N@H+]1CCN(c2nc3ccccc3cc2C#N)C[C@@H]1C ZINC000071390151 625512287 /nfs/dbraw/zinc/51/22/87/625512287.db2.gz KLXPZSXHXMCPQX-ZDUSSCGKSA-N 1 1 280.375 2.637 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000905318016 621740122 /nfs/dbraw/zinc/74/01/22/621740122.db2.gz LVXHYFQABZNCLB-OAHLLOKOSA-N 1 1 285.391 2.813 20 30 CFEDMO C=CC[C@H]([NH2+]CC1CC(c2ccccc2)C1)C(=O)OC ZINC000905766827 621856696 /nfs/dbraw/zinc/85/66/96/621856696.db2.gz HEYPLWKIZFYUQM-BCLQGDPASA-N 1 1 273.376 2.888 20 30 CFEDMO C=CC[C@@H]([NH2+]C[C@@H](CC)CC(F)(F)F)C(=O)OC ZINC000905770823 621859837 /nfs/dbraw/zinc/85/98/37/621859837.db2.gz DQAFAGCLWUCVCC-VHSXEESVSA-N 1 1 267.291 2.672 20 30 CFEDMO Cc1cc(Cn2cc(C[N@H+](C)C(C)(C)C)nn2)ccc1C#N ZINC000905809585 621869537 /nfs/dbraw/zinc/86/95/37/621869537.db2.gz ZMLXRHZVQOLIDJ-UHFFFAOYSA-N 1 1 297.406 2.737 20 30 CFEDMO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCCc2cc(C#N)ccc21 ZINC000905830450 621879965 /nfs/dbraw/zinc/87/99/65/621879965.db2.gz DCSUNCJZAIYTRI-QGZVFWFLSA-N 1 1 297.402 2.710 20 30 CFEDMO C=CC[C@H]([NH2+]CC1CCC(SC)CC1)C(=O)OC ZINC000905844702 621885856 /nfs/dbraw/zinc/88/58/56/621885856.db2.gz AEDHIVGVQARYEP-BPCQOVAHSA-N 1 1 271.426 2.616 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)c2ccc(CC)cc2)C1 ZINC001015860134 625530510 /nfs/dbraw/zinc/53/05/10/625530510.db2.gz JKRDTIYKSXJFLW-YJBOKZPZSA-N 1 1 298.430 2.566 20 30 CFEDMO CC(C)([NH2+]Cc1cn(C2CC2)nn1)c1cccc(C#N)c1 ZINC000906312483 621972332 /nfs/dbraw/zinc/97/23/32/621972332.db2.gz JEBZBSWRQHDJRB-UHFFFAOYSA-N 1 1 281.363 2.510 20 30 CFEDMO C=CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC000906447908 621991249 /nfs/dbraw/zinc/99/12/49/621991249.db2.gz OBKUMZAUJQYGIX-GFCCVEGCSA-N 1 1 292.345 2.685 20 30 CFEDMO CCC[N@@H+](CC)CCNC(=O)[C@]1(C#N)CC2CCC1CC2 ZINC000906880548 622056628 /nfs/dbraw/zinc/05/66/28/622056628.db2.gz DJRCRMMHVRKYTQ-DQPZFDDXSA-N 1 1 291.439 2.555 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C)c2cccc(C#N)c2)C1 ZINC000906858906 622058149 /nfs/dbraw/zinc/05/81/49/622058149.db2.gz AUTAAQNNABTRDV-WMLDXEAASA-N 1 1 299.418 2.857 20 30 CFEDMO CN(C)c1cc(NC(=O)[C@]2(C#N)CC3CCC2CC3)cc[nH+]1 ZINC000906901045 622059752 /nfs/dbraw/zinc/05/97/52/622059752.db2.gz ASJPSESQFQYJLO-FVKWTLKZSA-N 1 1 298.390 2.806 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)N[C@@H](C#N)C2CCCCC2)C1 ZINC000906903484 622060503 /nfs/dbraw/zinc/06/05/03/622060503.db2.gz XYAFXNIOXIXBOQ-CVEARBPZSA-N 1 1 291.439 2.697 20 30 CFEDMO C=CC(C)(C)CC(=O)N[C@H]1CCC[N@H+](C(C)C)C1 ZINC000907430886 622125822 /nfs/dbraw/zinc/12/58/22/622125822.db2.gz AKSJCZASQTWKHB-ZDUSSCGKSA-N 1 1 252.402 2.578 20 30 CFEDMO C=CC[C@H](CC)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC000907963639 622178270 /nfs/dbraw/zinc/17/82/70/622178270.db2.gz WWYWNNDIZVUMLS-KBPBESRZSA-N 1 1 252.402 2.579 20 30 CFEDMO C=CCn1c([C@H](C)CC)nnc1N1CC[N@@H+](C)C(C)(C)C1 ZINC000908664168 622257134 /nfs/dbraw/zinc/25/71/34/622257134.db2.gz CWQMLUWWRLHRAJ-CYBMUJFWSA-N 1 1 291.443 2.508 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N1CCC[N@H+](CC)C[C@H]1C ZINC000910281379 622424728 /nfs/dbraw/zinc/42/47/28/622424728.db2.gz XKJHWIWNUWYZMB-UKRRQHHQSA-N 1 1 252.402 2.531 20 30 CFEDMO CC[N@H+]1CCCN(C(=O)c2cc(C)c(C#N)c(C)c2)[C@H](C)C1 ZINC000910271017 622421974 /nfs/dbraw/zinc/42/19/74/622421974.db2.gz UCMXIWKHOXCYOA-OAHLLOKOSA-N 1 1 299.418 2.731 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)N2CCc3c2cccc3C#N)C1 ZINC000911184653 622511954 /nfs/dbraw/zinc/51/19/54/622511954.db2.gz OSWYNLYVCHRONF-OAHLLOKOSA-N 1 1 297.402 2.569 20 30 CFEDMO C[C@@H]1CC(N=Nc2cc(Cl)nc(Cl)c2)C[N@H+]1C ZINC000819828595 622565339 /nfs/dbraw/zinc/56/53/39/622565339.db2.gz JMZPORDEFNRTSG-SSDOTTSWSA-N 1 1 273.167 2.880 20 30 CFEDMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)cc(C)c1C#N ZINC000912298318 622678012 /nfs/dbraw/zinc/67/80/12/622678012.db2.gz VBKBJXVGRYMWIG-HNNXBMFYSA-N 1 1 299.418 2.778 20 30 CFEDMO Cc1ccc(-c2ccc(C=NN3CC[NH+](C)CC3)o2)cc1 ZINC000912774711 622775053 /nfs/dbraw/zinc/77/50/53/622775053.db2.gz XQHGCPRHFPXTIV-UHFFFAOYSA-N 1 1 283.375 2.836 20 30 CFEDMO Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc(C)c1C#N ZINC000913007522 622818364 /nfs/dbraw/zinc/81/83/64/622818364.db2.gz VIRRMRTWEKQQOR-HNNXBMFYSA-N 1 1 299.418 2.637 20 30 CFEDMO CN(C)c1[nH+]cc(/C=C/C(=O)c2cccc(F)c2)n1C ZINC000821023239 622823600 /nfs/dbraw/zinc/82/36/00/622823600.db2.gz ZPKZPWSUOXKCFX-BQYQJAHWSA-N 1 1 273.311 2.521 20 30 CFEDMO CC[N@@H+](C[C@@H]1CCC(=O)O1)[C@@H](C)c1ccc(C#N)cc1 ZINC000821362736 622904721 /nfs/dbraw/zinc/90/47/21/622904721.db2.gz OUWSSKMCVOVYMG-WFASDCNBSA-N 1 1 272.348 2.647 20 30 CFEDMO C=C(Cl)C[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184457638 625604647 /nfs/dbraw/zinc/60/46/47/625604647.db2.gz IOTQUGDZCFELJV-GFCCVEGCSA-N 1 1 259.777 2.793 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184457638 625604648 /nfs/dbraw/zinc/60/46/48/625604648.db2.gz IOTQUGDZCFELJV-GFCCVEGCSA-N 1 1 259.777 2.793 20 30 CFEDMO C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)[C@@H]1C ZINC000224699062 623010648 /nfs/dbraw/zinc/01/06/48/623010648.db2.gz DJKQBPOOUSTJOP-XJKCOSOUSA-N 1 1 258.365 2.712 20 30 CFEDMO N#CC1CC[NH+](Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000057823385 623016559 /nfs/dbraw/zinc/01/65/59/623016559.db2.gz FDBWFJRGQUNNOT-UHFFFAOYSA-N 1 1 276.290 2.508 20 30 CFEDMO CCCCCCC[NH+]1CCN(C(=O)c2ccccn2)CC1 ZINC000157541972 623040694 /nfs/dbraw/zinc/04/06/94/623040694.db2.gz YCYGHXZOPOAZDZ-UHFFFAOYSA-N 1 1 289.423 2.810 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000822153437 623051493 /nfs/dbraw/zinc/05/14/93/623051493.db2.gz ZWSGZANLZJBBGU-KBPBESRZSA-N 1 1 252.402 2.530 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc(-c2c[nH]c3ccccc23)no1 ZINC000823064835 623227357 /nfs/dbraw/zinc/22/73/57/623227357.db2.gz PAHUCUMKKIRMBJ-GFCCVEGCSA-N 1 1 281.319 2.912 20 30 CFEDMO N#CCCC[C@@H]([NH3+])c1nc([C@@H]2CCC(F)(F)C2)no1 ZINC000823172974 623251216 /nfs/dbraw/zinc/25/12/16/623251216.db2.gz YHMXWROTQJCXBA-RKDXNWHRSA-N 1 1 270.283 2.666 20 30 CFEDMO CSc1cccc(-c2noc([C@@H]([NH3+])CCCC#N)n2)n1 ZINC000823292584 623286722 /nfs/dbraw/zinc/28/67/22/623286722.db2.gz ZYADACGDYNSSCB-VIFPVBQESA-N 1 1 289.364 2.547 20 30 CFEDMO CCCCCCCC[N@H+]1CCC[C@H](OCCO)C1 ZINC000172658364 623298425 /nfs/dbraw/zinc/29/84/25/623298425.db2.gz LHBZWCUZUFGEQB-HNNXBMFYSA-N 1 1 257.418 2.820 20 30 CFEDMO C=CC[N@H+](Cc1cc(C(=O)OCC)c(C)[nH]1)C(C)C ZINC000823409340 623311203 /nfs/dbraw/zinc/31/12/03/623311203.db2.gz YNWXJMNNMNFFKQ-UHFFFAOYSA-N 1 1 264.369 2.896 20 30 CFEDMO C=C[C@@H](CC)CC(=O)N(CCC)[C@@H]1CC[N@@H+](C)C1 ZINC000823499731 623334602 /nfs/dbraw/zinc/33/46/02/623334602.db2.gz NZYBEQCNLMKTEA-UONOGXRCSA-N 1 1 252.402 2.531 20 30 CFEDMO C#CCCC[N@@H+]1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C 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CC#CC[N@H+]1CCC[C@H](NC(=O)c2ccc(Cl)o2)[C@@H]1C ZINC000993044093 623864876 /nfs/dbraw/zinc/86/48/76/623864876.db2.gz ZFCQKGDUTRUEKU-RYUDHWBXSA-N 1 1 294.782 2.539 20 30 CFEDMO C=CCC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccsc2)[C@H]1C ZINC000993059271 623876239 /nfs/dbraw/zinc/87/62/39/623876239.db2.gz VODWRNLFWAKOQJ-UKRRQHHQSA-N 1 1 292.448 2.836 20 30 CFEDMO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993073583 623889555 /nfs/dbraw/zinc/88/95/55/623889555.db2.gz PCOPXCXKSIQVQL-YOEHRIQHSA-N 1 1 299.418 2.683 20 30 CFEDMO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@H]1C ZINC000993073583 623889564 /nfs/dbraw/zinc/88/95/64/623889564.db2.gz PCOPXCXKSIQVQL-YOEHRIQHSA-N 1 1 299.418 2.683 20 30 CFEDMO CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993073572 623890522 /nfs/dbraw/zinc/89/05/22/623890522.db2.gz PCOPXCXKSIQVQL-PBHICJAKSA-N 1 1 299.418 2.683 20 30 CFEDMO CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000993073572 623890534 /nfs/dbraw/zinc/89/05/34/623890534.db2.gz 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296.418 2.919 20 30 CFEDMO C#CCOc1ccccc1C[N@H+](CCO)CC(C)(C)C ZINC000769339308 627426821 /nfs/dbraw/zinc/42/68/21/627426821.db2.gz VPZSIDNNKDVHOH-UHFFFAOYSA-N 1 1 275.392 2.539 20 30 CFEDMO C#CC[N@@H+](CC#CC)Cc1c[nH]nc1-c1ccccc1 ZINC000769446755 627439165 /nfs/dbraw/zinc/43/91/65/627439165.db2.gz AFAYIJCIBYYOBG-UHFFFAOYSA-N 1 1 263.344 2.535 20 30 CFEDMO C#CC[N@H+](CC#CC)Cc1c[nH]nc1-c1ccccc1 ZINC000769446755 627439170 /nfs/dbraw/zinc/43/91/70/627439170.db2.gz AFAYIJCIBYYOBG-UHFFFAOYSA-N 1 1 263.344 2.535 20 30 CFEDMO C#CC[NH+](CC#C)Cc1ccc(OC)c(O[C@@H](C)CC)c1 ZINC000769442855 627439597 /nfs/dbraw/zinc/43/95/97/627439597.db2.gz KDMMJJNYVUZRJG-HNNXBMFYSA-N 1 1 285.387 2.941 20 30 CFEDMO C#CC[N@H+](CC#CC)Cc1cccc(OCCCOC)c1 ZINC000769452322 627441080 /nfs/dbraw/zinc/44/10/80/627441080.db2.gz WJQNVFWJWBIWAT-UHFFFAOYSA-N 1 1 285.387 2.560 20 30 CFEDMO C#CC[N@@H+](CC#CC)Cc1cccc(OCCCOC)c1 ZINC000769452322 627441082 /nfs/dbraw/zinc/44/10/82/627441082.db2.gz WJQNVFWJWBIWAT-UHFFFAOYSA-N 1 1 285.387 2.560 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000769514313 627449918 /nfs/dbraw/zinc/44/99/18/627449918.db2.gz IYVBUQCGRNJEND-INIZCTEOSA-N 1 1 255.361 2.931 20 30 CFEDMO C[N@@H+](CCCCC(C)(C)C#N)CC(=O)NCc1ccco1 ZINC000769707831 627468057 /nfs/dbraw/zinc/46/80/57/627468057.db2.gz NHYXMNZNDZVBLW-UHFFFAOYSA-N 1 1 291.395 2.548 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000769734560 627471008 /nfs/dbraw/zinc/47/10/08/627471008.db2.gz VMUFIKULPXJAES-CQSZACIVSA-N 1 1 280.412 2.934 20 30 CFEDMO C[C@H](/N=C/c1c(O)ccc2ccccc21)[C@H]1C[N@H+](C)CCO1 ZINC000769774722 627473243 /nfs/dbraw/zinc/47/32/43/627473243.db2.gz RUYFXRZRQOPVCX-BVADXKGWSA-N 1 1 298.386 2.683 20 30 CFEDMO C[C@H](/N=C/c1c(O)ccc2ccccc21)[C@H]1C[N@@H+](C)CCO1 ZINC000769774722 627473246 /nfs/dbraw/zinc/47/32/46/627473246.db2.gz RUYFXRZRQOPVCX-BVADXKGWSA-N 1 1 298.386 2.683 20 30 CFEDMO C#C[C@H](C)[N@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000769960870 627491508 /nfs/dbraw/zinc/49/15/08/627491508.db2.gz BDAHFXVJXCGQHP-SLTAFYQDSA-N 1 1 276.424 2.510 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)CC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000769960870 627491511 /nfs/dbraw/zinc/49/15/11/627491511.db2.gz BDAHFXVJXCGQHP-SLTAFYQDSA-N 1 1 276.424 2.510 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000769962311 627492145 /nfs/dbraw/zinc/49/21/45/627492145.db2.gz WWEZKQMYSBOULI-CRRKTRLDSA-N 1 1 296.414 2.821 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)CC(=O)/C=C1/N(C)c2ccccc2C1(C)C ZINC000769962311 627492147 /nfs/dbraw/zinc/49/21/47/627492147.db2.gz WWEZKQMYSBOULI-CRRKTRLDSA-N 1 1 296.414 2.821 20 30 CFEDMO C#C[C@H](C)[N@H+](C)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000769963473 627492274 /nfs/dbraw/zinc/49/22/74/627492274.db2.gz UMZVWWKTTVYSOP-GJZGRUSLSA-N 1 1 294.398 2.971 20 30 CFEDMO C#C[C@H](C)[N@@H+](C)CC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000769963473 627492280 /nfs/dbraw/zinc/49/22/80/627492280.db2.gz UMZVWWKTTVYSOP-GJZGRUSLSA-N 1 1 294.398 2.971 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000770287519 627511268 /nfs/dbraw/zinc/51/12/68/627511268.db2.gz YNTBBDNBWFPCEL-SJLPKXTDSA-N 1 1 285.387 2.700 20 30 CFEDMO C#CCOc1ccccc1-c1noc(C[N@@H+](C)CCC)n1 ZINC000770876970 627553281 /nfs/dbraw/zinc/55/32/81/627553281.db2.gz WYFBEPZBSDOOSP-UHFFFAOYSA-N 1 1 285.347 2.590 20 30 CFEDMO C#CCOc1ccccc1-c1noc(C[N@H+](C)CCC)n1 ZINC000770876970 627553282 /nfs/dbraw/zinc/55/32/82/627553282.db2.gz WYFBEPZBSDOOSP-UHFFFAOYSA-N 1 1 285.347 2.590 20 30 CFEDMO C[C@H](C#N)CN[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000771114052 627578984 /nfs/dbraw/zinc/57/89/84/627578984.db2.gz ZOAGEBXKZYKZQP-GFCCVEGCSA-N 1 1 276.409 2.822 20 30 CFEDMO C#CCOCC[N@H+]1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000851918785 634587932 /nfs/dbraw/zinc/58/79/32/634587932.db2.gz DFCHXGLXIRPZIV-ZIAGYGMSSA-N 1 1 273.376 2.653 20 30 CFEDMO C=CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000772379717 627706201 /nfs/dbraw/zinc/70/62/01/627706201.db2.gz AJAUZLRFWANXAW-UHFFFAOYSA-N 1 1 250.273 2.884 20 30 CFEDMO C=CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000772379717 627706202 /nfs/dbraw/zinc/70/62/02/627706202.db2.gz AJAUZLRFWANXAW-UHFFFAOYSA-N 1 1 250.273 2.884 20 30 CFEDMO C=CCN(C(=O)C[N@H+](C)CCCCCC)C1CC1 ZINC000772894905 627757116 /nfs/dbraw/zinc/75/71/16/627757116.db2.gz DMCJITVYTIBIAS-UHFFFAOYSA-N 1 1 252.402 2.676 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)[C@H]1CCCO1 ZINC000851949447 634604304 /nfs/dbraw/zinc/60/43/04/634604304.db2.gz DWZBCJMUYKOBHC-GXTWGEPZSA-N 1 1 299.292 2.698 20 30 CFEDMO C=C(CC)C[N@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000773422054 627816962 /nfs/dbraw/zinc/81/69/62/627816962.db2.gz QOAZPEQZFDRNHN-CYBMUJFWSA-N 1 1 277.364 2.519 20 30 CFEDMO C=C(CC)C[N@@H+]1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC000773422054 627816969 /nfs/dbraw/zinc/81/69/69/627816969.db2.gz QOAZPEQZFDRNHN-CYBMUJFWSA-N 1 1 277.364 2.519 20 30 CFEDMO C[C@@H](OC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000774143075 627893640 /nfs/dbraw/zinc/89/36/40/627893640.db2.gz BEYJORHSDKRHBY-IUODEOHRSA-N 1 1 272.348 2.647 20 30 CFEDMO C[C@@H](OC(=O)[C@H]1CCCC[N@H+]1C)c1ccc(C#N)cc1 ZINC000774143075 627893642 /nfs/dbraw/zinc/89/36/42/627893642.db2.gz BEYJORHSDKRHBY-IUODEOHRSA-N 1 1 272.348 2.647 20 30 CFEDMO c1ccc2c(c1)NCCCC2=[NH+][N-]c1cc[nH+]cc1 ZINC000774397971 627920943 /nfs/dbraw/zinc/92/09/43/627920943.db2.gz BHWCIWNDWZYRCZ-UHFFFAOYSA-N 1 1 252.321 2.525 20 30 CFEDMO C#CCOCC[N@@H+]1C[C@H](c2ccc(C)cc2)C[C@H]1C ZINC000851994737 634619893 /nfs/dbraw/zinc/61/98/93/634619893.db2.gz RPNYNCFAUKHBEB-NVXWUHKLSA-N 1 1 257.377 2.823 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000851996561 634620830 /nfs/dbraw/zinc/62/08/30/634620830.db2.gz VYWDVHYKQXLQIN-OAGGEKHMSA-N 1 1 271.408 2.774 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccc(OC)cc1Cl)[C@H]1CCCO1 ZINC000775340270 628011821 /nfs/dbraw/zinc/01/18/21/628011821.db2.gz GKQMIUXHQUVWQJ-LSDHHAIUSA-N 1 1 279.767 2.619 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1ccccc1Br)[C@H]1CCCO1 ZINC000775344818 628013638 /nfs/dbraw/zinc/01/36/38/628013638.db2.gz KEHUGRHQRXERLY-ZIAGYGMSSA-N 1 1 294.192 2.720 20 30 CFEDMO C=C(C)C[N@@H+](CC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775638510 628048821 /nfs/dbraw/zinc/04/88/21/628048821.db2.gz GBUMDTRJVIAVOO-UHFFFAOYSA-N 1 1 287.451 2.836 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775638510 628048824 /nfs/dbraw/zinc/04/88/24/628048824.db2.gz GBUMDTRJVIAVOO-UHFFFAOYSA-N 1 1 287.451 2.836 20 30 CFEDMO C#CC[N@@H+](CC#CC)C[C@H](C)c1ccc(OC)cc1 ZINC000775707377 628057334 /nfs/dbraw/zinc/05/73/34/628057334.db2.gz HDFUTRIFEXZTIH-HNNXBMFYSA-N 1 1 255.361 2.757 20 30 CFEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCC[C@H](C)C1 ZINC000775734594 628060167 /nfs/dbraw/zinc/06/01/67/628060167.db2.gz ZOOXIQRWHZHHIA-BBRMVZONSA-N 1 1 286.375 2.894 20 30 CFEDMO COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CCCC[C@H](C)C1 ZINC000775734594 628060168 /nfs/dbraw/zinc/06/01/68/628060168.db2.gz ZOOXIQRWHZHHIA-BBRMVZONSA-N 1 1 286.375 2.894 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCOC[C@]2(C)CC)cc1 ZINC000775980154 628089873 /nfs/dbraw/zinc/08/98/73/628089873.db2.gz FIYCJNKZJLVNHO-KRWDZBQOSA-N 1 1 273.376 2.700 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000775984927 628091660 /nfs/dbraw/zinc/09/16/60/628091660.db2.gz IGXILEMAPYTXEK-QLFBSQMISA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000775984927 628091661 /nfs/dbraw/zinc/09/16/61/628091661.db2.gz IGXILEMAPYTXEK-QLFBSQMISA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)cc1 ZINC000775984927 628091664 /nfs/dbraw/zinc/09/16/64/628091664.db2.gz IGXILEMAPYTXEK-QLFBSQMISA-N 1 1 287.407 2.502 20 30 CFEDMO CCCC[N@H+](C)CCN[C@H](C)c1ccc(OCC#N)cc1 ZINC000776159581 628108089 /nfs/dbraw/zinc/10/80/89/628108089.db2.gz XVXCNNNQGNHPOD-OAHLLOKOSA-N 1 1 289.423 2.971 20 30 CFEDMO CCCC[N@@H+](C)CCN[C@H](C)c1ccc(OCC#N)cc1 ZINC000776159581 628108090 /nfs/dbraw/zinc/10/80/90/628108090.db2.gz XVXCNNNQGNHPOD-OAHLLOKOSA-N 1 1 289.423 2.971 20 30 CFEDMO C=CCCC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585306 628161284 /nfs/dbraw/zinc/16/12/84/628161284.db2.gz UUBNSENPMVAKPV-AWEZNQCLSA-N 1 1 264.325 2.526 20 30 CFEDMO CC[N@@H+](CCC(C)(C)C#N)C1CN(C(=O)OC(C)(C)C)C1 ZINC000776591347 628163405 /nfs/dbraw/zinc/16/34/05/628163405.db2.gz OAXNSRNSZFEVSH-UHFFFAOYSA-N 1 1 295.427 2.867 20 30 CFEDMO C#CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000776610709 628164690 /nfs/dbraw/zinc/16/46/90/628164690.db2.gz VWYMEDLBSVTLTP-KBPBESRZSA-N 1 1 280.412 2.730 20 30 CFEDMO C=CC[N@@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777547588 628235368 /nfs/dbraw/zinc/23/53/68/628235368.db2.gz FFMBUVPEKJEDBU-UHFFFAOYSA-N 1 1 272.308 2.534 20 30 CFEDMO C=CC[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777547588 628235371 /nfs/dbraw/zinc/23/53/71/628235371.db2.gz FFMBUVPEKJEDBU-UHFFFAOYSA-N 1 1 272.308 2.534 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c(Br)c1 ZINC000778222471 628289180 /nfs/dbraw/zinc/28/91/80/628289180.db2.gz UYRMHGGTUIOECC-MFKMUULPSA-N 1 1 277.165 2.915 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H]32)c(Br)c1 ZINC000778222471 628289181 /nfs/dbraw/zinc/28/91/81/628289181.db2.gz UYRMHGGTUIOECC-MFKMUULPSA-N 1 1 277.165 2.915 20 30 CFEDMO C[N@H+]1CCC[C@@]2(CCN([C@H](C#N)c3ccccc3)C2)C1 ZINC000852092303 634648889 /nfs/dbraw/zinc/64/88/89/634648889.db2.gz SSZLOHVFQJFWDM-IAGOWNOFSA-N 1 1 269.392 2.669 20 30 CFEDMO CC(C)C[N@H+](CCC#N)Cc1cc(F)ccc1O ZINC000778992430 628343226 /nfs/dbraw/zinc/34/32/26/628343226.db2.gz JYNDAHVXBGIOAB-UHFFFAOYSA-N 1 1 250.317 2.903 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)Cc1cc(F)ccc1O ZINC000778992430 628343230 /nfs/dbraw/zinc/34/32/30/628343230.db2.gz JYNDAHVXBGIOAB-UHFFFAOYSA-N 1 1 250.317 2.903 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000779148692 628355447 /nfs/dbraw/zinc/35/54/47/628355447.db2.gz JBFMFIJYZHLJTA-DZGCQCFKSA-N 1 1 261.340 2.879 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CC[C@H](C)[C@H](F)C1 ZINC000779148692 628355449 /nfs/dbraw/zinc/35/54/49/628355449.db2.gz JBFMFIJYZHLJTA-DZGCQCFKSA-N 1 1 261.340 2.879 20 30 CFEDMO CCCCCCCON=C(N)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000779651039 628392164 /nfs/dbraw/zinc/39/21/64/628392164.db2.gz ODIFMOTYTKKXSL-CQSZACIVSA-N 1 1 285.432 2.564 20 30 CFEDMO CCCCCCCON=C(N)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000779651039 628392166 /nfs/dbraw/zinc/39/21/66/628392166.db2.gz ODIFMOTYTKKXSL-CQSZACIVSA-N 1 1 285.432 2.564 20 30 CFEDMO C#CCCCCCC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000779736763 628398127 /nfs/dbraw/zinc/39/81/27/628398127.db2.gz HQNPFHPDRVUSMZ-AWEZNQCLSA-N 1 1 276.380 2.582 20 30 CFEDMO CC(N=Nc1ncccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779771629 628401716 /nfs/dbraw/zinc/40/17/16/628401716.db2.gz BPINCNIAASIAIP-INIZCTEOSA-N 1 1 295.390 2.787 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000852099498 634653066 /nfs/dbraw/zinc/65/30/66/634653066.db2.gz ALPVQSDANDVDIN-ZBEGNZNMSA-N 1 1 269.348 2.788 20 30 CFEDMO COc1ccc2cc(C(C)=NNC3=[NH+]C[C@H](C)N3)ccc2c1 ZINC000779792638 628406709 /nfs/dbraw/zinc/40/67/09/628406709.db2.gz OKGSXJUXJHTNCI-NSHDSACASA-N 1 1 296.374 2.510 20 30 CFEDMO CC(=NNC1=[NH+]C[C@H](C)N1)c1cc(Cl)sc1Cl ZINC000779799701 628407819 /nfs/dbraw/zinc/40/78/19/628407819.db2.gz WRJUOOCJXYDSEV-YFKPBYRVSA-N 1 1 291.207 2.716 20 30 CFEDMO CC1(C)Cc2cccc(C=NNc3cc[nH+]cc3)c2O1 ZINC000779807404 628408238 /nfs/dbraw/zinc/40/82/38/628408238.db2.gz VZRITEPVPJLZKY-UHFFFAOYSA-N 1 1 267.332 2.663 20 30 CFEDMO CC(C)c1ccc(C=NNc2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000779808305 628408564 /nfs/dbraw/zinc/40/85/64/628408564.db2.gz HILTVEDWTWFZDL-UHFFFAOYSA-N 1 1 284.319 2.981 20 30 CFEDMO Cc1ccc2c(C=NNc3cc[nH+]cc3)c[nH]c2c1 ZINC000779809186 628408602 /nfs/dbraw/zinc/40/86/02/628408602.db2.gz GMZZEPFUJSWTMO-UHFFFAOYSA-N 1 1 250.305 2.739 20 30 CFEDMO CCCOc1ccc2c(c1)C(=NNc1cc[nH+]cc1)CCO2 ZINC000779809358 628408815 /nfs/dbraw/zinc/40/88/15/628408815.db2.gz XDKFNMLWQLFNBB-UHFFFAOYSA-N 1 1 297.358 2.891 20 30 CFEDMO CCCn1c(C=NNc2cc[nH+]cc2)nc2ccccc21 ZINC000779809693 628409088 /nfs/dbraw/zinc/40/90/88/628409088.db2.gz NCSFXYUWNCSLDU-UHFFFAOYSA-N 1 1 279.347 2.709 20 30 CFEDMO C[C@@H]1CC(N=Nc2ccncc2)CC[N@H+]1Cc1ccccc1 ZINC000779810708 628409166 /nfs/dbraw/zinc/40/91/66/628409166.db2.gz IIHMKJRXSJDJKM-OAHLLOKOSA-N 1 1 294.402 2.956 20 30 CFEDMO C[C@H]1CC(N=Nc2ccncc2)C[N@H+]1Cc1ccccc1 ZINC000779811225 628409988 /nfs/dbraw/zinc/40/99/88/628409988.db2.gz NDSYZLUEENNANY-AWEZNQCLSA-N 1 1 280.375 2.566 20 30 CFEDMO C#C[C@@](C)(CC)[NH2+][C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000852100623 634655456 /nfs/dbraw/zinc/65/54/56/634655456.db2.gz YUUZIOLLOHWXHL-AEFFLSMTSA-N 1 1 286.419 2.988 20 30 CFEDMO C#C[C@](C)(CC)[NH2+][C@@H](C(=O)N(CC)CC)c1ccccc1 ZINC000852100627 634655882 /nfs/dbraw/zinc/65/58/82/634655882.db2.gz YUUZIOLLOHWXHL-SJLPKXTDSA-N 1 1 286.419 2.988 20 30 CFEDMO C#CCCCCCC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000780441850 628464397 /nfs/dbraw/zinc/46/43/97/628464397.db2.gz SACFAGWPISXRLU-MRXNPFEDSA-N 1 1 278.440 2.807 20 30 CFEDMO C=C(Cl)C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000780528416 628471836 /nfs/dbraw/zinc/47/18/36/628471836.db2.gz KNNLYFVRXOFOGG-UHFFFAOYSA-N 1 1 279.746 2.913 20 30 CFEDMO COc1ccc2oc(C[NH2+]Cc3ccc(C#N)cn3)cc2c1 ZINC000780556158 628475846 /nfs/dbraw/zinc/47/58/46/628475846.db2.gz MUVUDWPMADLGHF-UHFFFAOYSA-N 1 1 293.326 2.998 20 30 CFEDMO N#Cc1ccc(C[NH2+]Cc2ccccc2Cl)nc1 ZINC000780557051 628476591 /nfs/dbraw/zinc/47/65/91/628476591.db2.gz SJRUVTFJCLNWTD-UHFFFAOYSA-N 1 1 257.724 2.896 20 30 CFEDMO CCCC[C@H](ON=C(C)C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000780979872 628509920 /nfs/dbraw/zinc/50/99/20/628509920.db2.gz YMLQSALWZXRFFP-CABCVRRESA-N 1 1 297.443 2.558 20 30 CFEDMO C=C(C)CNC(=S)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000781113490 628522864 /nfs/dbraw/zinc/52/28/64/628522864.db2.gz DJBZZZPDJYLSPN-KGLIPLIRSA-N 1 1 295.496 2.680 20 30 CFEDMO CON=C1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000781124046 628523293 /nfs/dbraw/zinc/52/32/93/628523293.db2.gz TZWBJQPUJIBVOM-GJZGRUSLSA-N 1 1 258.365 2.921 20 30 CFEDMO N#CCOc1ccc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000781353443 628542181 /nfs/dbraw/zinc/54/21/81/628542181.db2.gz JQOAFUYHMJFGCK-CQSZACIVSA-N 1 1 296.317 2.793 20 30 CFEDMO C=C(Cl)CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000781400371 628545952 /nfs/dbraw/zinc/54/59/52/628545952.db2.gz IPRKEEHBZQUCKY-CHWSQXEVSA-N 1 1 299.846 2.691 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)C1(C)CCCCC1 ZINC000781472507 628551560 /nfs/dbraw/zinc/55/15/60/628551560.db2.gz DQDMWLSPYUCRJL-CQSZACIVSA-N 1 1 263.381 2.598 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(c2nc[nH]n2)CC1 ZINC000782187166 628611889 /nfs/dbraw/zinc/61/18/89/628611889.db2.gz MUIZWVZTVZFBOQ-LBPRGKRZSA-N 1 1 281.363 2.617 20 30 CFEDMO COc1ccc(N=NC2C[C@@H](C)[N@@H+](C)C2)cc1Cl ZINC000782231749 628617796 /nfs/dbraw/zinc/61/77/96/628617796.db2.gz XTXHPXJBCOFSCE-SECBINFHSA-N 1 1 267.760 2.841 20 30 CFEDMO CC(=[NH+]N[C@H]1CCCC1(C)C)c1csc(N)n1 ZINC000782287964 628624307 /nfs/dbraw/zinc/62/43/07/628624307.db2.gz MXYKCFBNLXGYEY-JTQLQIEISA-N 1 1 252.387 2.618 20 30 CFEDMO C=C(Cl)C[NH2+][C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000782353753 628631582 /nfs/dbraw/zinc/63/15/82/628631582.db2.gz VNGOMZTUGQTPAD-MRXNPFEDSA-N 1 1 294.826 2.710 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc(F)ccc1Cl)[C@@H]1CCCO1 ZINC000782543247 628644741 /nfs/dbraw/zinc/64/47/41/628644741.db2.gz GWPSTRFKNBNREQ-KBPBESRZSA-N 1 1 267.731 2.750 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc(C#N)c(F)c1 ZINC000783301684 628698750 /nfs/dbraw/zinc/69/87/50/628698750.db2.gz ZUYWPLUUQJYSTL-LLVKDONJSA-N 1 1 280.306 2.815 20 30 CFEDMO C=CCCN(OCc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC000783873253 628752590 /nfs/dbraw/zinc/75/25/90/628752590.db2.gz VXDVIQADIXNWQU-UHFFFAOYSA-N 1 1 290.407 2.863 20 30 CFEDMO N#CCc1ccc(CO[NH+]=C(N)C2CCCC2)cc1 ZINC000784047489 628768608 /nfs/dbraw/zinc/76/86/08/628768608.db2.gz OKZPWDZNNGNCSG-UHFFFAOYSA-N 1 1 257.337 2.941 20 30 CFEDMO C#CCOCC[NH2+][C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000784080394 628773391 /nfs/dbraw/zinc/77/33/91/628773391.db2.gz UIQFOYFYRKQTSR-ZDUSSCGKSA-N 1 1 270.332 2.642 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](O)c1ccccn1 ZINC000852192861 634685053 /nfs/dbraw/zinc/68/50/53/634685053.db2.gz VKWLOVATZQXOOM-DYVFJYSZSA-N 1 1 281.359 2.680 20 30 CFEDMO C#CCC[N@@H+]1CCC[C@@H](N(C)c2ccc(C)cc2)C1 ZINC000784376508 628812231 /nfs/dbraw/zinc/81/22/31/628812231.db2.gz AFCRMDNQLKVFIU-QGZVFWFLSA-N 1 1 256.393 2.919 20 30 CFEDMO C=CCCC[N@@H+]1CCCC[C@H]1COC(=O)N(C)CC ZINC000805761608 628819443 /nfs/dbraw/zinc/81/94/43/628819443.db2.gz BZMMDKRAMJUDJT-AWEZNQCLSA-N 1 1 268.401 2.895 20 30 CFEDMO C=C(C)CC[N@@H+]1CCCC[C@H]1COC(=O)N(C)CC ZINC000805763900 628830299 /nfs/dbraw/zinc/83/02/99/628830299.db2.gz YZMCKLKSOQXKAU-AWEZNQCLSA-N 1 1 268.401 2.895 20 30 CFEDMO C#CCC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000805766275 628836363 /nfs/dbraw/zinc/83/63/63/628836363.db2.gz FEIVSOWNLJSECM-UONOGXRCSA-N 1 1 261.390 2.510 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1cc(OC)ccc1OC ZINC000785997215 628929022 /nfs/dbraw/zinc/92/90/22/628929022.db2.gz KBVZPIYIZBGXNH-XJKSGUPXSA-N 1 1 291.391 2.778 20 30 CFEDMO C=CCC[N@@H+](C)CN1C[C@H](CC(C)(C)C)OC1=O ZINC000786101895 628936977 /nfs/dbraw/zinc/93/69/77/628936977.db2.gz RMAOJNSVTVUJSP-LBPRGKRZSA-N 1 1 254.374 2.709 20 30 CFEDMO C=CCC[N@H+](C)CN1C[C@H](CC(C)(C)C)OC1=O ZINC000786101895 628936979 /nfs/dbraw/zinc/93/69/79/628936979.db2.gz RMAOJNSVTVUJSP-LBPRGKRZSA-N 1 1 254.374 2.709 20 30 CFEDMO C=CCC[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000786438899 628956519 /nfs/dbraw/zinc/95/65/19/628956519.db2.gz WRSNTDNSWBPOBE-UHFFFAOYSA-N 1 1 251.301 2.742 20 30 CFEDMO C=CCC[N@H+](C)Cc1cc(F)cc(C(C)=O)c1O ZINC000786438899 628956522 /nfs/dbraw/zinc/95/65/22/628956522.db2.gz WRSNTDNSWBPOBE-UHFFFAOYSA-N 1 1 251.301 2.742 20 30 CFEDMO C=CCC[N@H+](C)[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000786447879 628957466 /nfs/dbraw/zinc/95/74/66/628957466.db2.gz ZAUSSUUKYIUJRT-MRXNPFEDSA-N 1 1 272.392 2.686 20 30 CFEDMO CC1(C[N@@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000787207496 628999545 /nfs/dbraw/zinc/99/95/45/628999545.db2.gz ZKLVCOASCRGYOJ-HNNXBMFYSA-N 1 1 256.349 2.732 20 30 CFEDMO CC1(C[N@H+]2CCO[C@H](c3cccc(C#N)c3)C2)CC1 ZINC000787207496 628999546 /nfs/dbraw/zinc/99/95/46/628999546.db2.gz ZKLVCOASCRGYOJ-HNNXBMFYSA-N 1 1 256.349 2.732 20 30 CFEDMO CCCCCCCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000787333246 629008323 /nfs/dbraw/zinc/00/83/23/629008323.db2.gz XNJOFVAMMRZNEC-KKUMJFAQSA-N 1 1 266.429 2.933 20 30 CFEDMO C#CCC1(C(=O)NC[C@H]2CCCC[N@@H+]2CC)CCCCC1 ZINC000788210200 629050731 /nfs/dbraw/zinc/05/07/31/629050731.db2.gz FLUGOZCVTWDWDT-MRXNPFEDSA-N 1 1 290.451 2.951 20 30 CFEDMO C#CCC1(C(=O)N2CC[NH+](C3CCC3)CC2)CCCCC1 ZINC000788218955 629051319 /nfs/dbraw/zinc/05/13/19/629051319.db2.gz YQBIQVLNSUMPGF-UHFFFAOYSA-N 1 1 288.435 2.657 20 30 CFEDMO C#CCC1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCCCC1 ZINC000788222173 629051746 /nfs/dbraw/zinc/05/17/46/629051746.db2.gz DEPGNYDDWLIUDW-HUUCEWRRSA-N 1 1 276.424 2.559 20 30 CFEDMO C#CCC1(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCCCC1 ZINC000788227243 629052101 /nfs/dbraw/zinc/05/21/01/629052101.db2.gz MKRFHPDFRMBEFT-CABCVRRESA-N 1 1 288.435 2.702 20 30 CFEDMO C[N@@H+](Cc1ccccc1)CC(C)(C)C=NN[C@H]1CCOC1 ZINC000788444850 629067681 /nfs/dbraw/zinc/06/76/81/629067681.db2.gz CCWVJRZPQKQTHV-INIZCTEOSA-N 1 1 289.423 2.509 20 30 CFEDMO COc1cc(N=NC2C[N@@H+](C)C[C@H]2C)ccc1Cl ZINC000788468963 629071715 /nfs/dbraw/zinc/07/17/15/629071715.db2.gz ZTLFFYWDBNLMPZ-SECBINFHSA-N 1 1 267.760 2.698 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)cc1)Cc1cnc(Cl)cn1 ZINC000788470180 629072356 /nfs/dbraw/zinc/07/23/56/629072356.db2.gz MRJXSCAXJHEKQG-UHFFFAOYSA-N 1 1 272.739 2.634 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1)Cc1cnc(Cl)cn1 ZINC000788470180 629072359 /nfs/dbraw/zinc/07/23/59/629072359.db2.gz MRJXSCAXJHEKQG-UHFFFAOYSA-N 1 1 272.739 2.634 20 30 CFEDMO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788816598 629102231 /nfs/dbraw/zinc/10/22/31/629102231.db2.gz UHCHVOCSNWTLPR-UWVGGRQHSA-N 1 1 289.297 2.999 20 30 CFEDMO COCCN(C)c1ccc(C=[NH+]Nc2cccc(C)c2)cn1 ZINC000790141622 629212891 /nfs/dbraw/zinc/21/28/91/629212891.db2.gz PVKSBBYNQQIRET-UHFFFAOYSA-N 1 1 298.390 2.919 20 30 CFEDMO C[C@@H]1CC(N=Nc2nccn2C)C[N@@H+](Cc2ccccc2)C1 ZINC000790302316 629228442 /nfs/dbraw/zinc/22/84/42/629228442.db2.gz PDPQVEUSZWRODJ-CQSZACIVSA-N 1 1 297.406 2.730 20 30 CFEDMO N#CC[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000852318979 634718764 /nfs/dbraw/zinc/71/87/64/634718764.db2.gz DCZIJFMCWIUIPH-HNNXBMFYSA-N 1 1 291.439 2.841 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000852318979 634718772 /nfs/dbraw/zinc/71/87/72/634718772.db2.gz DCZIJFMCWIUIPH-HNNXBMFYSA-N 1 1 291.439 2.841 20 30 CFEDMO CN(CCC[N@H+]1CCC[C@@H](CC#N)C1)C(=O)OC(C)(C)C ZINC000852319471 634719171 /nfs/dbraw/zinc/71/91/71/634719171.db2.gz NKCDJZOCFSUQMR-AWEZNQCLSA-N 1 1 295.427 2.869 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000852319593 634720073 /nfs/dbraw/zinc/72/00/73/634720073.db2.gz PWCOMMBTZLIGEE-ABAIWWIYSA-N 1 1 280.318 2.624 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)cc2F)C1 ZINC000852319593 634720075 /nfs/dbraw/zinc/72/00/75/634720075.db2.gz PWCOMMBTZLIGEE-ABAIWWIYSA-N 1 1 280.318 2.624 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2Cl)C1 ZINC000852320061 634720860 /nfs/dbraw/zinc/72/08/60/634720860.db2.gz VOZXYWMRMWTYRS-DOMZBBRYSA-N 1 1 278.783 2.999 20 30 CFEDMO N#CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(F)c2)C1 ZINC000852319925 634721236 /nfs/dbraw/zinc/72/12/36/634721236.db2.gz TYAVRZRLZNUMDM-NHYWBVRUSA-N 1 1 280.318 2.624 20 30 CFEDMO C#CC[N@@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000852319870 634721420 /nfs/dbraw/zinc/72/14/20/634721420.db2.gz STYBBUOBTGPDOQ-OAHLLOKOSA-N 1 1 271.360 2.561 20 30 CFEDMO C#CC[N@H+]1Cc2ccccc2[C@H](C(=O)OC(C)(C)C)C1 ZINC000852319870 634721422 /nfs/dbraw/zinc/72/14/22/634721422.db2.gz STYBBUOBTGPDOQ-OAHLLOKOSA-N 1 1 271.360 2.561 20 30 CFEDMO CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@](C#N)(c3ccccn3)C2)C1 ZINC000852333418 634724762 /nfs/dbraw/zinc/72/47/62/634724762.db2.gz LVSDXFIQPPUVKQ-INMHGKMJSA-N 1 1 285.391 2.506 20 30 CFEDMO CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@@](C#N)(c3ccccn3)C2)C1 ZINC000852333418 634724768 /nfs/dbraw/zinc/72/47/68/634724768.db2.gz LVSDXFIQPPUVKQ-INMHGKMJSA-N 1 1 285.391 2.506 20 30 CFEDMO COC1(CC[N@@H+]2CCC[C@](C#N)(c3ccccn3)C2)CCC1 ZINC000852333597 634725070 /nfs/dbraw/zinc/72/50/70/634725070.db2.gz QDHYMVVNXRMDGB-QGZVFWFLSA-N 1 1 299.418 2.898 20 30 CFEDMO COC1(CC[N@H+]2CCC[C@](C#N)(c3ccccn3)C2)CCC1 ZINC000852333597 634725074 /nfs/dbraw/zinc/72/50/74/634725074.db2.gz QDHYMVVNXRMDGB-QGZVFWFLSA-N 1 1 299.418 2.898 20 30 CFEDMO C#CC[N@H+](CC)C[C@H](O)Cc1ccc2ccccc2c1 ZINC000791474046 629319953 /nfs/dbraw/zinc/31/99/53/629319953.db2.gz RTKVWWQYMLYSLR-GOSISDBHSA-N 1 1 267.372 2.698 20 30 CFEDMO C#CCOCC[N@@H+](Cc1ccccc1)[C@H]1COC(C)(C)C1 ZINC000852342832 634727668 /nfs/dbraw/zinc/72/76/68/634727668.db2.gz LPWOWFPGEKSNRG-QGZVFWFLSA-N 1 1 287.403 2.706 20 30 CFEDMO C#C[C@@H](CCC)NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000791743384 629351710 /nfs/dbraw/zinc/35/17/10/629351710.db2.gz OXPDIMSURJQBGS-LSDHHAIUSA-N 1 1 292.810 2.861 20 30 CFEDMO C=CC[N@@H+](C[C@H](O)c1c(F)cccc1F)[C@H](C)COC ZINC000852357806 634732799 /nfs/dbraw/zinc/73/27/99/634732799.db2.gz HWPBLFHXHQXGKF-RISCZKNCSA-N 1 1 285.334 2.521 20 30 CFEDMO C#C[C@H](CC)[NH2+][C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000792643549 629442096 /nfs/dbraw/zinc/44/20/96/629442096.db2.gz RVINECBYVAQSOZ-SJORKVTESA-N 1 1 284.403 2.742 20 30 CFEDMO C#C[C@@H](NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000852392036 634737365 /nfs/dbraw/zinc/73/73/65/634737365.db2.gz GFYUQBQFFGOQLM-JKSUJKDBSA-N 1 1 299.418 2.533 20 30 CFEDMO CC(C)C[N@@H+](Cn1cc2c(c(C#N)c1=O)CCCC2)C1CC1 ZINC000793482144 629555076 /nfs/dbraw/zinc/55/50/76/629555076.db2.gz FYITXVZRMSBJEP-UHFFFAOYSA-N 1 1 299.418 2.677 20 30 CFEDMO CC[C@H]1C[C@H](C)C[N@H+]1Cn1cc2c(c(C#N)c1=O)CCCC2 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C=C(Cl)C[N@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000794807769 629688764 /nfs/dbraw/zinc/68/87/64/629688764.db2.gz PHFNPZKOAGXJQI-OAHLLOKOSA-N 1 1 279.767 2.556 20 30 CFEDMO C=C(Cl)C[N@@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000794807769 629688768 /nfs/dbraw/zinc/68/87/68/629688768.db2.gz PHFNPZKOAGXJQI-OAHLLOKOSA-N 1 1 279.767 2.556 20 30 CFEDMO CC1(C)CC(N=Nc2cncnc2)C[N@H+]1Cc1ccccc1 ZINC000794979157 629715417 /nfs/dbraw/zinc/71/54/17/629715417.db2.gz CCJYXPFUABOOKK-UHFFFAOYSA-N 1 1 295.390 2.929 20 30 CFEDMO COCCCON=C1C[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000795054682 629730966 /nfs/dbraw/zinc/73/09/66/629730966.db2.gz AABMOSQKQYUZFY-HNNXBMFYSA-N 1 1 290.407 2.938 20 30 CFEDMO CCCCCCC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000852495684 634760805 /nfs/dbraw/zinc/76/08/05/634760805.db2.gz MLEWGITXACWMIY-KGLIPLIRSA-N 1 1 252.402 2.557 20 30 CFEDMO CCCCCCCC[N@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000852495093 634760909 /nfs/dbraw/zinc/76/09/09/634760909.db2.gz JPKQNNNCFMVNQI-CABCVRRESA-N 1 1 266.429 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COC[C@@H](C)N=NC1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000814895613 632152405 /nfs/dbraw/zinc/15/24/05/632152405.db2.gz PCHMXUNMAGANRA-CABCVRRESA-N 1 1 289.423 2.651 20 30 CFEDMO C=CC[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000844279787 632154174 /nfs/dbraw/zinc/15/41/74/632154174.db2.gz VIOSFDZQVHMBLE-UHFFFAOYSA-N 1 1 259.309 2.863 20 30 CFEDMO C[C@H]1C(=NNC2CC2)CCC[N@H+]1Cc1ccccc1 ZINC000814902494 632156446 /nfs/dbraw/zinc/15/64/46/632156446.db2.gz FCTJFIHIWKTUEK-ZDUSSCGKSA-N 1 1 257.381 2.779 20 30 CFEDMO C[C@H]1C(=NNC2CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000814902494 632156449 /nfs/dbraw/zinc/15/64/49/632156449.db2.gz FCTJFIHIWKTUEK-ZDUSSCGKSA-N 1 1 257.381 2.779 20 30 CFEDMO CCC(=[NH+]N(C)CCOC)c1ccc(Cl)c(N)c1 ZINC000814926398 632167473 /nfs/dbraw/zinc/16/74/73/632167473.db2.gz QJUILQMLGCNHBW-UHFFFAOYSA-N 1 1 269.776 2.615 20 30 CFEDMO C#CC[N@H+](C)CCCNc1ccc2cc(OC)ccc2n1 ZINC000814929625 632169355 /nfs/dbraw/zinc/16/93/55/632169355.db2.gz NAWNUDCLAZQQTF-UHFFFAOYSA-N 1 1 283.375 2.610 20 30 CFEDMO CC(=[NH+]NC[C@@H]1CCSC1)c1cc(F)c(N)c(F)c1 ZINC000814935606 632173324 /nfs/dbraw/zinc/17/33/24/632173324.db2.gz PDXHPDHAPHIVQU-VIFPVBQESA-N 1 1 285.363 2.614 20 30 CFEDMO C[C@H]1C[N@H+](C)CC1N=Nc1nnc(-c2ccccc2)s1 ZINC000814948699 632178780 /nfs/dbraw/zinc/17/87/80/632178780.db2.gz AUILYDQCHGKWLS-JTQLQIEISA-N 1 1 287.392 2.555 20 30 CFEDMO C[C@H]1C[N@@H+](C)CC1N=Nc1nnc(-c2ccccc2)s1 ZINC000814948699 632178786 /nfs/dbraw/zinc/17/87/86/632178786.db2.gz AUILYDQCHGKWLS-JTQLQIEISA-N 1 1 287.392 2.555 20 30 CFEDMO C[N@H+](CC1=CCCC1)C[C@H](O)c1cccc(C#N)c1 ZINC000844370007 632182445 /nfs/dbraw/zinc/18/24/45/632182445.db2.gz TYSIWMHKAWQPHK-INIZCTEOSA-N 1 1 256.349 2.634 20 30 CFEDMO CC(C)SCC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844372130 632183289 /nfs/dbraw/zinc/18/32/89/632183289.db2.gz VDFANCHSJNZZCR-HNNXBMFYSA-N 1 1 278.421 2.665 20 30 CFEDMO C[N@H+](CC(=O)Nc1ccccc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000815014980 632187775 /nfs/dbraw/zinc/18/77/75/632187775.db2.gz APSMNVHGEVVCHU-NWDGAFQWSA-N 1 1 291.782 2.903 20 30 CFEDMO C[N@@H+](CC(=O)Nc1ccccc1Cl)[C@@H]1CC[C@H](C#N)C1 ZINC000815014980 632187776 /nfs/dbraw/zinc/18/77/76/632187776.db2.gz APSMNVHGEVVCHU-NWDGAFQWSA-N 1 1 291.782 2.903 20 30 CFEDMO C=CCC(F)(F)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000815015986 632188270 /nfs/dbraw/zinc/18/82/70/632188270.db2.gz QWDLFSMGHSIYLP-VXGBXAGGSA-N 1 1 274.355 2.577 20 30 CFEDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C#N)C1 ZINC000815051393 632191785 /nfs/dbraw/zinc/19/17/85/632191785.db2.gz RKBFOPTUIJFGMC-OLZOCXBDSA-N 1 1 281.400 2.525 20 30 CFEDMO C#CC[N@@H+](CC#CC)C[C@H](O)c1cccc2ccccc21 ZINC000815054480 632192146 /nfs/dbraw/zinc/19/21/46/632192146.db2.gz LAUWLPYBYMIHSL-IBGZPJMESA-N 1 1 277.367 2.832 20 30 CFEDMO C#CC[N@H+](CC#CC)C[C@H](O)c1cccc2ccccc21 ZINC000815054480 632192150 /nfs/dbraw/zinc/19/21/50/632192150.db2.gz LAUWLPYBYMIHSL-IBGZPJMESA-N 1 1 277.367 2.832 20 30 CFEDMO CC[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCCOC1 ZINC000844404086 632195666 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C=CCC(F)(F)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000815736939 632316622 /nfs/dbraw/zinc/31/66/22/632316622.db2.gz QTPAVCWNYBOCFS-OLZOCXBDSA-N 1 1 286.366 2.672 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCCO[C@H](C(C)C)C2)cc1 ZINC000816675811 632510049 /nfs/dbraw/zinc/51/00/49/632510049.db2.gz LZXWKVAVYGLJTQ-SFHVURJKSA-N 1 1 287.403 2.946 20 30 CFEDMO C#CCCCCC(=O)OC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000845732527 632538832 /nfs/dbraw/zinc/53/88/32/632538832.db2.gz QSAWSGLTMBDNIM-ZDUSSCGKSA-N 1 1 251.370 2.596 20 30 CFEDMO C=C(C)[C@@H](CC(=O)OC[C@H]1CC[N@H+]1C(C)(C)C)OCC ZINC000845733921 632540683 /nfs/dbraw/zinc/54/06/83/632540683.db2.gz MVNAZHBOMRCGCS-ZIAGYGMSSA-N 1 1 283.412 2.774 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccc(C)cc21 ZINC000817020384 632547235 /nfs/dbraw/zinc/54/72/35/632547235.db2.gz OVPCRYCTDDMLIJ-MSOLQXFVSA-N 1 1 296.414 2.586 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccc(C)cc21 ZINC000817020384 632547241 /nfs/dbraw/zinc/54/72/41/632547241.db2.gz OVPCRYCTDDMLIJ-MSOLQXFVSA-N 1 1 296.414 2.586 20 30 CFEDMO C#CCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C ZINC000817291537 632596505 /nfs/dbraw/zinc/59/65/05/632596505.db2.gz ILVVWLDLOZJABP-KKUMJFAQSA-N 1 1 294.439 2.881 20 30 CFEDMO Cc1cc(C[N@@H+](C)C[C@@H](O)c2cccc(C#N)c2)c(C)o1 ZINC000846005647 632612536 /nfs/dbraw/zinc/61/25/36/632612536.db2.gz AWHGCYWBWVDPLF-QGZVFWFLSA-N 1 1 284.359 2.934 20 30 CFEDMO C=C(Cl)COc1ccc([C@H](C)[NH2+][C@@H](C)CN)cc1 ZINC000817969622 632767437 /nfs/dbraw/zinc/76/74/37/632767437.db2.gz FDGUINQHGNRQNG-RYUDHWBXSA-N 1 1 268.788 2.816 20 30 CFEDMO C[C@H](N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(OCC#N)cc1 ZINC000817985489 632781751 /nfs/dbraw/zinc/78/17/51/632781751.db2.gz KPZAGOXHGZYIIR-GOEBONIOSA-N 1 1 299.418 2.914 20 30 CFEDMO Cc1[nH+]ccn1CCCNc1ccc(C#N)cc1C ZINC000846745936 632781812 /nfs/dbraw/zinc/78/18/12/632781812.db2.gz OQVVXIDPYGWPLY-UHFFFAOYSA-N 1 1 254.337 2.874 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CC[C@H]2Cc2ccccc2)nn1 ZINC000846813015 632807623 /nfs/dbraw/zinc/80/76/23/632807623.db2.gz FDVCVFUPFHTEOE-KRWDZBQOSA-N 1 1 282.391 2.671 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CC[C@H]2Cc2ccccc2)nn1 ZINC000846813015 632807625 /nfs/dbraw/zinc/80/76/25/632807625.db2.gz FDVCVFUPFHTEOE-KRWDZBQOSA-N 1 1 282.391 2.671 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H]1CN(CC)C(=O)O1 ZINC000846886467 632832903 /nfs/dbraw/zinc/83/29/03/632832903.db2.gz ZXMSDFWQOXPQRP-INIZCTEOSA-N 1 1 288.391 2.905 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccccc1)C[C@@H]1CN(CC)C(=O)O1 ZINC000846886468 632833619 /nfs/dbraw/zinc/83/36/19/632833619.db2.gz ZXMSDFWQOXPQRP-MRXNPFEDSA-N 1 1 288.391 2.905 20 30 CFEDMO CC[C@H](CC#N)[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000846989363 632870429 /nfs/dbraw/zinc/87/04/29/632870429.db2.gz ZQBLICIJVMLMQC-MFKMUULPSA-N 1 1 270.735 2.794 20 30 CFEDMO CC[C@H](CC#N)[NH2+]Cc1cc(=O)oc2cc(OC)ccc12 ZINC000846994224 632872349 /nfs/dbraw/zinc/87/23/49/632872349.db2.gz PDPXUZDVSGXGDD-GFCCVEGCSA-N 1 1 286.331 2.583 20 30 CFEDMO C#CCC[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000846999688 632875163 /nfs/dbraw/zinc/87/51/63/632875163.db2.gz HWAAGMBWDXWUQL-WKILWMFISA-N 1 1 273.376 2.521 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000847018481 632883567 /nfs/dbraw/zinc/88/35/67/632883567.db2.gz KJBUXUQXMNUJFH-GFCCVEGCSA-N 1 1 298.308 2.868 20 30 CFEDMO C#C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)cc2C)C1 ZINC000847024648 632890294 /nfs/dbraw/zinc/89/02/94/632890294.db2.gz JXFCQKUUPLPKBG-XJKSGUPXSA-N 1 1 261.340 2.513 20 30 CFEDMO C#C[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000847029885 632894373 /nfs/dbraw/zinc/89/43/73/632894373.db2.gz OCLILASILVMGRT-QFBILLFUSA-N 1 1 298.430 2.845 20 30 CFEDMO C#C[C@H]1CCC[N@H+](CC(=O)N[C@@H](c2ccccc2)C(C)C)C1 ZINC000847029885 632894381 /nfs/dbraw/zinc/89/43/81/632894381.db2.gz OCLILASILVMGRT-QFBILLFUSA-N 1 1 298.430 2.845 20 30 CFEDMO C#C[C@@H]1CCC[N@@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000847030620 632894812 /nfs/dbraw/zinc/89/48/12/632894812.db2.gz QLZFOQWJDJOGKJ-HZPDHXFCSA-N 1 1 296.414 2.700 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000847030620 632894815 /nfs/dbraw/zinc/89/48/15/632894815.db2.gz QLZFOQWJDJOGKJ-HZPDHXFCSA-N 1 1 296.414 2.700 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)C1 ZINC000847032669 632895669 /nfs/dbraw/zinc/89/56/69/632895669.db2.gz YKVANNADWVXWSM-BRWVUGGUSA-N 1 1 288.435 2.513 20 30 CFEDMO C#C[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(CC)cc2)C1 ZINC000847031777 632895771 /nfs/dbraw/zinc/89/57/71/632895771.db2.gz UTJFMXCDNKTJJG-HOCLYGCPSA-N 1 1 284.403 2.921 20 30 CFEDMO C#C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)C1 ZINC000847032675 632896656 /nfs/dbraw/zinc/89/66/56/632896656.db2.gz YKVANNADWVXWSM-ZACQAIPSSA-N 1 1 288.435 2.513 20 30 CFEDMO C#C[C@H]1CCC[N@H+](Cc2cc(OC(C)C)ccn2)C1 ZINC000847038880 632899913 /nfs/dbraw/zinc/89/99/13/632899913.db2.gz ZCKPPQDTVBNFSF-AWEZNQCLSA-N 1 1 258.365 2.714 20 30 CFEDMO C#CCCC[N@H+](CC(=O)OC(C)(C)C)C1CCC1 ZINC000847087913 632916630 /nfs/dbraw/zinc/91/66/30/632916630.db2.gz VGOGVQPEMWFQFG-UHFFFAOYSA-N 1 1 251.370 2.596 20 30 CFEDMO C[C@@H](CC#N)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000847090150 632917257 /nfs/dbraw/zinc/91/72/57/632917257.db2.gz HGJNUAJJKYRTKI-YJBOKZPZSA-N 1 1 299.418 2.565 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819094985 632962976 /nfs/dbraw/zinc/96/29/76/632962976.db2.gz QHAZOCYBQZWEDQ-MRXNPFEDSA-N 1 1 280.375 2.596 20 30 CFEDMO C#CCCCCCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000847256508 632963434 /nfs/dbraw/zinc/96/34/34/632963434.db2.gz QERNCTYYJVVXGN-HZPDHXFCSA-N 1 1 276.424 2.703 20 30 CFEDMO CC(C)(C#N)C[NH2+]C[C@H](O)c1ccccc1Br ZINC000819219549 633024354 /nfs/dbraw/zinc/02/43/54/633024354.db2.gz SCYFADIQRSXNNY-LBPRGKRZSA-N 1 1 297.196 2.622 20 30 CFEDMO N#CCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000819266262 633045415 /nfs/dbraw/zinc/04/54/15/633045415.db2.gz AQGCAOPDDAAHKU-NSHDSACASA-N 1 1 259.136 2.530 20 30 CFEDMO 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Cc1cc(C)c(COC(=O)c2ccc(C#N)n2C)c(C)[nH+]1 ZINC000869530708 639280969 /nfs/dbraw/zinc/28/09/69/639280969.db2.gz RBNGFDAXBFLYKE-UHFFFAOYSA-N 1 1 283.331 2.574 20 30 CFEDMO Cc1[nH+]ccn1CCCCOC(=O)C1(C#N)CC2(CC2)C1 ZINC000869614673 639325001 /nfs/dbraw/zinc/32/50/01/639325001.db2.gz NQBBIKAWHMUWMX-UHFFFAOYSA-N 1 1 287.363 2.599 20 30 CFEDMO CCCCCC[N@@H+](C)CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000870672155 639762765 /nfs/dbraw/zinc/76/27/65/639762765.db2.gz JVZUEHLFDDYPTQ-HUUCEWRRSA-N 1 1 279.428 2.649 20 30 CFEDMO C#CC[N@H+](C)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000192234843 650551376 /nfs/dbraw/zinc/55/13/76/650551376.db2.gz DYVAOHOAQLNLCZ-OAHLLOKOSA-N 1 1 292.382 2.720 20 30 CFEDMO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1c(CC)oc2ccccc21 ZINC000192548730 650572051 /nfs/dbraw/zinc/57/20/51/650572051.db2.gz GSIGZNVZVWPDJX-ZDUSSCGKSA-N 1 1 298.386 2.565 20 30 CFEDMO C#CCCCC(=O)O[C@@H](C)C[C@H]1CCCC[N@H+]1C ZINC000870785261 641065690 /nfs/dbraw/zinc/06/56/90/641065690.db2.gz NIRPZVCXFZNCNW-UONOGXRCSA-N 1 1 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C=CCn1c(C)nn(C[N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1=S ZINC000872712471 641907373 /nfs/dbraw/zinc/90/73/73/641907373.db2.gz PFZOLKMYVZEJFK-OKILXGFUSA-N 1 1 290.436 2.764 20 30 CFEDMO Cc1ccn(C[N@H+](C)C[C@@H](C)C(C)(C)C)c(=O)c1C#N ZINC000872817784 641945642 /nfs/dbraw/zinc/94/56/42/641945642.db2.gz BWHUFJBOYDYJIB-CYBMUJFWSA-N 1 1 275.396 2.600 20 30 CFEDMO C=CCc1cc(OCC)cc(C[N@@H+]2CCO[C@H](C)C2)c1O ZINC000193991548 650712707 /nfs/dbraw/zinc/71/27/07/650712707.db2.gz KVTZPHHNRDXIIH-CYBMUJFWSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCO[C@H](C)C2)c1O ZINC000193991548 650712710 /nfs/dbraw/zinc/71/27/10/650712710.db2.gz KVTZPHHNRDXIIH-CYBMUJFWSA-N 1 1 291.391 2.740 20 30 CFEDMO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)CCC=C ZINC000124446339 642093122 /nfs/dbraw/zinc/09/31/22/642093122.db2.gz HIFLSHDKMBZRQS-INIZCTEOSA-N 1 1 261.340 2.588 20 30 CFEDMO N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@@H](N)c3ccccc31)C2 ZINC000873274939 642115459 /nfs/dbraw/zinc/11/54/59/642115459.db2.gz HXWYETFUOLPIIZ-ATZDWAIDSA-N 1 1 289.382 2.760 20 30 CFEDMO N#Cc1ccc2c(c1)C[C@H](N[C@@H]1C[C@@H]([NH3+])c3ccccc31)C2 ZINC000873274939 642115462 /nfs/dbraw/zinc/11/54/62/642115462.db2.gz HXWYETFUOLPIIZ-ATZDWAIDSA-N 1 1 289.382 2.760 20 30 CFEDMO CC(C)c1[nH+]ccn1CC(=O)Nc1cccc(OCC#N)c1 ZINC000874069626 642333675 /nfs/dbraw/zinc/33/36/75/642333675.db2.gz BTBBLNUTOKSIJA-UHFFFAOYSA-N 1 1 298.346 2.548 20 30 CFEDMO Cc1cc(F)c(C#N)cc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000874900383 642546162 /nfs/dbraw/zinc/54/61/62/642546162.db2.gz GUZCYUUSLCBJOV-UHFFFAOYSA-N 1 1 289.354 2.676 20 30 CFEDMO CCCCCCCNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000875765789 642684923 /nfs/dbraw/zinc/68/49/23/642684923.db2.gz ZJIITIQAHRMRKP-HNNXBMFYSA-N 1 1 283.460 2.940 20 30 CFEDMO C#CC[NH+]1CCC(C(=O)Nc2ccccc2C(=O)CC)CC1 ZINC000876059043 642761243 /nfs/dbraw/zinc/76/12/43/642761243.db2.gz LOYRVFLXOLQCJW-UHFFFAOYSA-N 1 1 298.386 2.563 20 30 CFEDMO C=C(Br)CN(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000125768805 642778631 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Cc1nc(C)c(C[NH2+]Cc2cc(C#N)cnc2Cl)s1 ZINC000877064877 643130226 /nfs/dbraw/zinc/13/02/26/643130226.db2.gz DYFDWXMFWSMOTP-UHFFFAOYSA-N 1 1 292.795 2.970 20 30 CFEDMO COc1ccc(C[NH2+]Cc2cc(C3CC3)no2)cc1C#N ZINC000877115662 643158719 /nfs/dbraw/zinc/15/87/19/643158719.db2.gz GFWYXCPJPNWRGW-UHFFFAOYSA-N 1 1 283.331 2.722 20 30 CFEDMO C=C(Cl)C[NH2+]Cc1ccccc1OCCCCO ZINC000877149004 643178470 /nfs/dbraw/zinc/17/84/70/643178470.db2.gz BKBYYOSZWIYBQB-UHFFFAOYSA-N 1 1 269.772 2.680 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000877170569 643188248 /nfs/dbraw/zinc/18/82/48/643188248.db2.gz PYYNCRFYXLYRLG-ZDUSSCGKSA-N 1 1 283.416 2.725 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC000245542551 650821456 /nfs/dbraw/zinc/82/14/56/650821456.db2.gz PZKUZOYAQLCRSK-MGPQQGTHSA-N 1 1 274.364 2.587 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@@H](C)OC[C@H]2C)cc1 ZINC000245542551 650821460 /nfs/dbraw/zinc/82/14/60/650821460.db2.gz PZKUZOYAQLCRSK-MGPQQGTHSA-N 1 1 274.364 2.587 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)[C@@H]([NH3+])c1ccccc1OC ZINC000877303097 643226458 /nfs/dbraw/zinc/22/64/58/643226458.db2.gz ASVQMDHVPZZPKR-HNNXBMFYSA-N 1 1 290.407 2.804 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)[C@H]1CCCO1 ZINC000877416309 643264183 /nfs/dbraw/zinc/26/41/83/643264183.db2.gz HRRRDCYIGYTYIR-CHWSQXEVSA-N 1 1 299.201 2.846 20 30 CFEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(C#N)cnc1Cl ZINC000877464628 643284034 /nfs/dbraw/zinc/28/40/34/643284034.db2.gz NCCHJTIGCNBPTA-GYSYKLTISA-N 1 1 293.798 2.588 20 30 CFEDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(C#N)cnc1Cl ZINC000877464628 643284038 /nfs/dbraw/zinc/28/40/38/643284038.db2.gz NCCHJTIGCNBPTA-GYSYKLTISA-N 1 1 293.798 2.588 20 30 CFEDMO CO[C@@]1(C)CCC[N@@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877488235 643303265 /nfs/dbraw/zinc/30/32/65/643303265.db2.gz ZYIVBXNCAZRRNR-KRWDZBQOSA-N 1 1 287.407 2.625 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCC=C(Br)C1 ZINC000877500729 643311716 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CFEDMO Cc1[nH+]ccn1CCCCNc1ccc(C)nc1C#N ZINC000882015390 645176283 /nfs/dbraw/zinc/17/62/83/645176283.db2.gz YQUJTYOINCYUOI-UHFFFAOYSA-N 1 1 269.352 2.659 20 30 CFEDMO C#CC1(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000882534625 645358093 /nfs/dbraw/zinc/35/80/93/645358093.db2.gz VPAPMFBLIAEXFK-HNNXBMFYSA-N 1 1 288.435 2.703 20 30 CFEDMO Cc1ccc(NC(=[NH2+])NCCN2CCCC[C@@H]2C)cc1C ZINC000303872636 651004849 /nfs/dbraw/zinc/00/48/49/651004849.db2.gz CDDOFJOMOBMWTL-HNNXBMFYSA-N 1 1 288.439 2.904 20 30 CFEDMO C=C(Br)C[NH2+]Cc1cnc(CC)s1 ZINC000129825357 645410300 /nfs/dbraw/zinc/41/03/00/645410300.db2.gz LZEKKODRDQBLIJ-UHFFFAOYSA-N 1 1 261.188 2.704 20 30 CFEDMO CCN(CCNC(=[NH2+])N[C@@H](C)CCCC(C)C)C1CC1 ZINC000303987971 651011130 /nfs/dbraw/zinc/01/11/30/651011130.db2.gz WARSIFDWOSFXJF-AWEZNQCLSA-N 1 1 282.476 2.590 20 30 CFEDMO CC[C@@H](C)NC(=[NH2+])NCC(C)(C)N[C@@H](C)c1ccccc1 ZINC000304005092 651013046 /nfs/dbraw/zinc/01/30/46/651013046.db2.gz SKMWWNOAIJMUMR-KGLIPLIRSA-N 1 1 290.455 2.819 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1 1 288.435 2.937 20 30 CFEDMO C#CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C)cc1 ZINC000132126498 645881031 /nfs/dbraw/zinc/88/10/31/645881031.db2.gz DKBCHOLAZGFIGW-OAHLLOKOSA-N 1 1 288.435 2.937 20 30 CFEDMO C=CCC[C@H](O)C[N@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000132335407 645908529 /nfs/dbraw/zinc/90/85/29/645908529.db2.gz RGSUWIAXOCFTPY-IRXDYDNUSA-N 1 1 277.408 2.677 20 30 CFEDMO N#Cc1ccc(OCCC[N@@H+]2CCCCC[C@H]2CO)cc1 ZINC000133534489 646136549 /nfs/dbraw/zinc/13/65/49/646136549.db2.gz IZPMQZFZEBSILK-INIZCTEOSA-N 1 1 288.391 2.564 20 30 CFEDMO CO[C@H]1CCCC(=[NH+]n2cc(Br)cn2)CC1 ZINC000884443027 646361688 /nfs/dbraw/zinc/36/16/88/646361688.db2.gz XSTAEEQRGQPQKM-NSHDSACASA-N 1 1 286.173 2.829 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H](Nc2ccc(C(F)(F)F)cn2)C1 ZINC000884611800 646486736 /nfs/dbraw/zinc/48/67/36/646486736.db2.gz VDXNTRFKWKOFDG-LBPRGKRZSA-N 1 1 283.297 2.610 20 30 CFEDMO C=C(Br)C[NH2+]Cc1ccc(C#N)s1 ZINC000135499320 646541576 /nfs/dbraw/zinc/54/15/76/646541576.db2.gz ZGCCSKRETYQKOL-UHFFFAOYSA-N 1 1 257.156 2.618 20 30 CFEDMO C#CC[N@@H+]1CCN(Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000135872145 646661646 /nfs/dbraw/zinc/66/16/46/646661646.db2.gz WOTXTLVEYXGYAA-MAUKXSAKSA-N 1 1 285.435 2.556 20 30 CFEDMO C#CCN1CC[N@H+](Cc2ccc(C)nc2)C[C@@H]1[C@@H](C)CC ZINC000135872145 646661648 /nfs/dbraw/zinc/66/16/48/646661648.db2.gz WOTXTLVEYXGYAA-MAUKXSAKSA-N 1 1 285.435 2.556 20 30 CFEDMO COc1ccc(C[N@@H+](C)C[C@H](O)CC2(C#N)CCC2)cc1 ZINC000885944003 646777398 /nfs/dbraw/zinc/77/73/98/646777398.db2.gz IWIYDFXVIFSBAC-OAHLLOKOSA-N 1 1 288.391 2.572 20 30 CFEDMO C[C@H]([N@@H+](C)C[C@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC000885951854 646779674 /nfs/dbraw/zinc/77/96/74/646779674.db2.gz QKHQTRJYUNINLB-QWHCGFSZSA-N 1 1 252.402 2.798 20 30 CFEDMO CC(C)[C@H]1CCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000885965333 646786632 /nfs/dbraw/zinc/78/66/32/646786632.db2.gz MNKGJKDFSNZIKB-ZIAGYGMSSA-N 1 1 250.386 2.552 20 30 CFEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H]1C[C@]12CCOC2 ZINC000885967552 646787854 /nfs/dbraw/zinc/78/78/54/646787854.db2.gz RYIKREABHDSFHH-WBVHZDCISA-N 1 1 273.351 2.688 20 30 CFEDMO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H]1C[C@]12CCOC2 ZINC000885967551 646788108 /nfs/dbraw/zinc/78/81/08/646788108.db2.gz RYIKREABHDSFHH-RDJZCZTQSA-N 1 1 273.351 2.688 20 30 CFEDMO CCSCC[C@@H](C)[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886072360 646855212 /nfs/dbraw/zinc/85/52/12/646855212.db2.gz FCFWGFPFDHXMRC-ZIAGYGMSSA-N 1 1 284.469 2.895 20 30 CFEDMO C[C@]1(C#N)CCC[N@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886125585 646884580 /nfs/dbraw/zinc/88/45/80/646884580.db2.gz WORFUWMQIXAEDA-LSDHHAIUSA-N 1 1 262.397 2.961 20 30 CFEDMO C[C@]1(C#N)CCC[N@@H+](C[C@@H]2CCC3(CCC3)CO2)C1 ZINC000886125585 646884585 /nfs/dbraw/zinc/88/45/85/646884585.db2.gz WORFUWMQIXAEDA-LSDHHAIUSA-N 1 1 262.397 2.961 20 30 CFEDMO COCC[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CC[C@@H](C)C1 ZINC000886168100 646904859 /nfs/dbraw/zinc/90/48/59/646904859.db2.gz IOSYMROEKNFUPU-OWCLPIDISA-N 1 1 294.439 2.568 20 30 CFEDMO C#CCn1ccc(C[N@H+](CC)CCOC2CCCCC2)n1 ZINC000886176985 646909538 /nfs/dbraw/zinc/90/95/38/646909538.db2.gz PUMAQOZZHHXQTN-UHFFFAOYSA-N 1 1 289.423 2.688 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)CCOC2CCCCC2)n1 ZINC000886176985 646909540 /nfs/dbraw/zinc/90/95/40/646909540.db2.gz PUMAQOZZHHXQTN-UHFFFAOYSA-N 1 1 289.423 2.688 20 30 CFEDMO C[N@@H+](C[C@H](O)CC1(C#N)CCC1)[C@H]1CCC(C)(C)C1 ZINC000886183523 646911142 /nfs/dbraw/zinc/91/11/42/646911142.db2.gz HAVBUEHKNQGGLR-UONOGXRCSA-N 1 1 264.413 2.942 20 30 CFEDMO C[C@@H]1[C@@H](C(F)(F)F)CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886181897 646911174 /nfs/dbraw/zinc/91/11/74/646911174.db2.gz WHWPODJAEPTXAU-WOPDTQHZSA-N 1 1 290.329 2.704 20 30 CFEDMO C[C@@H]1CCC(C)(C)[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886239429 646934653 /nfs/dbraw/zinc/93/46/53/646934653.db2.gz WVGATATWCDETMO-CHWSQXEVSA-N 1 1 250.386 2.694 20 30 CFEDMO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H](c3cccnc3)C2)CCC1 ZINC000886264091 646939593 /nfs/dbraw/zinc/93/95/93/646939593.db2.gz PCILHJSOFAZHDC-DLBZAZTESA-N 1 1 299.418 2.706 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)CC1(C#N)CCC1 ZINC000886285639 646953464 /nfs/dbraw/zinc/95/34/64/646953464.db2.gz OPPROZUPKHHTCY-ZNMIVQPWSA-N 1 1 260.381 2.614 20 30 CFEDMO CC1(C)C[N@@H+](C[C@H](O)CC2(C#N)CCC2)[C@H]1c1ccncc1 ZINC000886288508 646955021 /nfs/dbraw/zinc/95/50/21/646955021.db2.gz AVMBYZWSLDWDPZ-CVEARBPZSA-N 1 1 299.418 2.909 20 30 CFEDMO C[C@@]1(C(F)(F)F)CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886314355 646966001 /nfs/dbraw/zinc/96/60/01/646966001.db2.gz VRWQQZBNJCLNMQ-VXGBXAGGSA-N 1 1 290.329 2.706 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000886357162 646984862 /nfs/dbraw/zinc/98/48/62/646984862.db2.gz CBDRJSREJVWVLO-IUODEOHRSA-N 1 1 263.768 2.719 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](CCCOc2ccc(C#N)cc2)C1 ZINC000886356250 646985181 /nfs/dbraw/zinc/98/51/81/646985181.db2.gz WXIGNGZOVBICHO-INIZCTEOSA-N 1 1 268.360 2.672 20 30 CFEDMO C#CC[C@@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000886357328 646985425 /nfs/dbraw/zinc/98/54/25/646985425.db2.gz FLUSLAQLOYZMCU-OAHLLOKOSA-N 1 1 255.361 2.509 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000886358559 646986183 /nfs/dbraw/zinc/98/61/83/646986183.db2.gz WYPWFXWJNULJSL-AWEZNQCLSA-N 1 1 283.350 2.857 20 30 CFEDMO C#CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C)c(C)c2)C1 ZINC000886359460 646986885 /nfs/dbraw/zinc/98/68/85/646986885.db2.gz CHKHXZIHXIJGDH-OAHLLOKOSA-N 1 1 270.376 2.587 20 30 CFEDMO C#CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000886359586 646987041 /nfs/dbraw/zinc/98/70/41/646987041.db2.gz FYJMPTZWDBNKAS-ZDUSSCGKSA-N 1 1 290.794 2.932 20 30 CFEDMO C#CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(C)cc2Cl)C1 ZINC000886359586 646987043 /nfs/dbraw/zinc/98/70/43/646987043.db2.gz FYJMPTZWDBNKAS-ZDUSSCGKSA-N 1 1 290.794 2.932 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2nc(C)c3ccccc3n2)C1 ZINC000886361309 646987602 /nfs/dbraw/zinc/98/76/02/646987602.db2.gz ATYJZNROHDIRNK-AWEZNQCLSA-N 1 1 265.360 2.783 20 30 CFEDMO C#CC[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000886364078 646988473 /nfs/dbraw/zinc/98/84/73/646988473.db2.gz NZOUONPVCHCFNH-HNNXBMFYSA-N 1 1 290.451 2.616 20 30 CFEDMO C#CC[C@H]1CC[N@H+](Cc2cccc(Br)n2)C1 ZINC000886365921 646988810 /nfs/dbraw/zinc/98/88/10/646988810.db2.gz SJHRSEDGKCXCDH-NSHDSACASA-N 1 1 279.181 2.689 20 30 CFEDMO C[C@H]1CC[N@@H+](CCOCCC#N)[C@H]1c1ccccc1 ZINC000886542815 647038726 /nfs/dbraw/zinc/03/87/26/647038726.db2.gz GOFPVTJAPYYFEQ-GOEBONIOSA-N 1 1 258.365 3.000 20 30 CFEDMO C#CCSCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886550060 647043651 /nfs/dbraw/zinc/04/36/51/647043651.db2.gz RSKYLDPZNRMYEZ-SNVBAGLBSA-N 1 1 253.342 2.548 20 30 CFEDMO C=C(C)COCC[NH2+][C@H](C)c1c(O)cccc1F ZINC000886551635 647043763 /nfs/dbraw/zinc/04/37/63/647043763.db2.gz LHGOMMSQINELHT-LLVKDONJSA-N 1 1 253.317 2.775 20 30 CFEDMO C#CCCCCCC(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC000886595093 647059262 /nfs/dbraw/zinc/05/92/62/647059262.db2.gz AOTLCAVNQPNBTD-MRXNPFEDSA-N 1 1 278.440 2.759 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886613689 647068250 /nfs/dbraw/zinc/06/82/50/647068250.db2.gz BNAVZUJKWGIGNP-AVGNSLFASA-N 1 1 277.330 2.978 20 30 CFEDMO C#CCC1(NC(=O)CCCn2cc[nH+]c2C)CCCCC1 ZINC000886653625 647090979 /nfs/dbraw/zinc/09/09/79/647090979.db2.gz WAQQMLVHZGLJAL-UHFFFAOYSA-N 1 1 287.407 2.814 20 30 CFEDMO C#CCC1(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CCCCC1 ZINC000886657365 647092724 /nfs/dbraw/zinc/09/27/24/647092724.db2.gz MMEATVKAEXEUMW-AWEZNQCLSA-N 1 1 276.424 2.702 20 30 CFEDMO C#CCN1CCC[C@@H]([NH2+][C@H](CC)c2ccc(F)cc2O)C1 ZINC000886663244 647096787 /nfs/dbraw/zinc/09/67/87/647096787.db2.gz WQZKTRIZAPCVEQ-GDBMZVCRSA-N 1 1 290.382 2.670 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ncccn3)C2)cc1 ZINC000886674957 647104821 /nfs/dbraw/zinc/10/48/21/647104821.db2.gz VCTAPIVOMGRAQO-INIZCTEOSA-N 1 1 278.359 2.728 20 30 CFEDMO N#CCc1ccc(C[N@H+]2CCC[C@H](c3ncccn3)C2)cc1 ZINC000886686871 647110705 /nfs/dbraw/zinc/11/07/05/647110705.db2.gz 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/nfs/dbraw/zinc/14/80/27/647148027.db2.gz QQYCPEHFWJLJDR-GFCCVEGCSA-N 1 1 265.319 2.980 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886808532 647148283 /nfs/dbraw/zinc/14/82/83/647148283.db2.gz KWDGMFGASZUMNQ-SMDDNHRTSA-N 1 1 298.308 2.866 20 30 CFEDMO N#CC1(CCC[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)CCOCC1 ZINC000886819645 647152618 /nfs/dbraw/zinc/15/26/18/647152618.db2.gz VDVDEYMVRNIIKU-CVEARBPZSA-N 1 1 292.423 2.588 20 30 CFEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)CCCF ZINC000887139832 647227599 /nfs/dbraw/zinc/22/75/99/647227599.db2.gz GFCITNYBUBCVKM-SNVBAGLBSA-N 1 1 297.761 2.830 20 30 CFEDMO N#CC1CCC(C[N@H+]2CC[C@@]3(C2)CCCOC3)CC1 ZINC000930377935 647879012 /nfs/dbraw/zinc/87/90/12/647879012.db2.gz WXBFHHNWDYTXBX-UYSNPLJNSA-N 1 1 262.397 2.819 20 30 CFEDMO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1nnc2n1CCCCC2 ZINC000924627875 648011487 /nfs/dbraw/zinc/01/14/87/648011487.db2.gz XFHQQGYIZHICNN-OLZOCXBDSA-N 1 1 289.427 2.983 20 30 CFEDMO CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(C#N)c1[O-] ZINC000924695912 648029588 /nfs/dbraw/zinc/02/95/88/648029588.db2.gz NQMIDBJXOBHFNG-UXLLHSPISA-N 1 1 299.418 2.931 20 30 CFEDMO CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1cccc(C#N)c1[O-] ZINC000924708804 648031928 /nfs/dbraw/zinc/03/19/28/648031928.db2.gz ZUFDENYPVNKNDV-CZUORRHYSA-N 1 1 287.407 2.646 20 30 CFEDMO C=C(C[NH2+][C@@H](C)c1nn(CC)nc1C)c1ccccc1 ZINC000924840468 648057048 /nfs/dbraw/zinc/05/70/48/648057048.db2.gz GPZJCVPBJJLAMC-ZDUSSCGKSA-N 1 1 270.380 2.970 20 30 CFEDMO C=CCC1(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2C)CCCCC1 ZINC000925339622 648155984 /nfs/dbraw/zinc/15/59/84/648155984.db2.gz HKJOPTQAMOISPS-KBPBESRZSA-N 1 1 279.428 2.657 20 30 CFEDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(OCC#N)cc2)nn1 ZINC000925367281 648159020 /nfs/dbraw/zinc/15/90/20/648159020.db2.gz JNPJZZZIWVSAHQ-CYBMUJFWSA-N 1 1 299.378 2.612 20 30 CFEDMO C=CCCC[C@H]([NH2+][C@H]1CNCCOC1)c1ccccc1 ZINC000925763676 648312463 /nfs/dbraw/zinc/31/24/63/648312463.db2.gz BTTIEFSOIUYBRG-IRXDYDNUSA-N 1 1 274.408 2.662 20 30 CFEDMO COc1ccnc([C@@H](C)[NH2+]Cc2ccc(C#N)c(F)c2)c1 ZINC000926551055 648530239 /nfs/dbraw/zinc/53/02/39/648530239.db2.gz QSVIZDAVPAUYHE-LLVKDONJSA-N 1 1 285.322 2.952 20 30 CFEDMO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000926571228 648537918 /nfs/dbraw/zinc/53/79/18/648537918.db2.gz QADMHNHCTUPEBL-JTQLQIEISA-N 1 1 263.389 2.520 20 30 CFEDMO C=C1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CCOC)CC1 ZINC000926925276 648661169 /nfs/dbraw/zinc/66/11/69/648661169.db2.gz KTXRZWSCNHJGBO-AYHJJNSGSA-N 1 1 292.467 2.964 20 30 CFEDMO CC1(C)C[N@@H+](CCCCC2(C#N)CCC2)CCO1 ZINC000929119012 648983564 /nfs/dbraw/zinc/98/35/64/648983564.db2.gz ZZWGDGQTKSWKAZ-UHFFFAOYSA-N 1 1 250.386 2.961 20 30 CFEDMO C=CC[N@H+](Cc1cccs1)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000929140168 648988223 /nfs/dbraw/zinc/98/82/23/648988223.db2.gz HYTBZPKLMYKQEO-YDHLFZDLSA-N 1 1 279.405 2.540 20 30 CFEDMO C[N@@H+](CCOC1CCSCC1)Cc1cccc(C#N)c1 ZINC000929162710 648993178 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2.594 20 30 CFEDMO CCCCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001098983720 778881498 /nfs/dbraw/zinc/88/14/98/778881498.db2.gz SQZUYMCOJYXTNT-LSDHHAIUSA-N 1 1 293.455 2.943 20 30 CFEDMO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC001098983827 778881548 /nfs/dbraw/zinc/88/15/48/778881548.db2.gz UJROZBDFPQZETB-LSDHHAIUSA-N 1 1 291.439 2.719 20 30 CFEDMO Cn1cc(C[NH+]2CCC(CC#N)CC2)c(C(F)(F)F)n1 ZINC001232087663 778898032 /nfs/dbraw/zinc/89/80/32/778898032.db2.gz DMGYLQLJVWNLIH-UHFFFAOYSA-N 1 1 286.301 2.565 20 30 CFEDMO N#Cc1ccc(C[N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)c([O-])c1 ZINC001236654642 778905606 /nfs/dbraw/zinc/90/56/06/778905606.db2.gz QORVDLUVGMENFZ-QGZVFWFLSA-N 1 1 299.418 2.760 20 30 CFEDMO N#Cc1ccc(CN([C@@H]2CC[NH2+]C2)C2CCCCC2)c(O)c1 ZINC001236654642 778905608 /nfs/dbraw/zinc/90/56/08/778905608.db2.gz QORVDLUVGMENFZ-QGZVFWFLSA-N 1 1 299.418 2.760 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)c2ccccc2)[C@H]1C ZINC001088886185 778937630 /nfs/dbraw/zinc/93/76/30/778937630.db2.gz GRCSQBRDNBDBPU-KBMXLJTQSA-N 1 1 290.382 2.852 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cc3ccccn3c2)[C@H]1C ZINC001088896578 778938779 /nfs/dbraw/zinc/93/87/79/778938779.db2.gz QWXPTAMUCMMIMQ-PBHICJAKSA-N 1 1 297.402 2.708 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)[C@H]1C ZINC001088911980 778945259 /nfs/dbraw/zinc/94/52/59/778945259.db2.gz XJXBICFOJGNJNY-NWGLXNPWSA-N 1 1 298.430 2.945 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(C1)CCCCN(C(=O)/C=C\C1CC1)C2 ZINC001045925565 778959602 /nfs/dbraw/zinc/95/96/02/778959602.db2.gz SGLBFFNDENVBMK-ZEVQVBBLSA-N 1 1 288.435 2.843 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cccc3ccsc32)[C@H]1C ZINC001088958936 778960709 /nfs/dbraw/zinc/96/07/09/778960709.db2.gz CGTPNXUQYZTPLJ-DOMZBBRYSA-N 1 1 298.411 2.727 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H](CC)CC2)[C@H]1C ZINC001088993785 778969466 /nfs/dbraw/zinc/96/94/66/778969466.db2.gz BIVKVFMNPQSPDA-VQHPVUNQSA-N 1 1 290.451 2.805 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2cc3ccccc3o2)[C@H]1C ZINC001089022037 778977081 /nfs/dbraw/zinc/97/70/81/778977081.db2.gz WNSGQJAUJFYEHQ-HIFRSBDPSA-N 1 1 296.370 2.649 20 30 CFEDMO CC(C)[N@H+]1CC[C@@]2(C1)CCCCN(C(=O)C#CC1CC1)C2 ZINC001045936208 778981493 /nfs/dbraw/zinc/98/14/93/778981493.db2.gz DVYVAGXENHHYFK-GOSISDBHSA-N 1 1 288.435 2.513 20 30 CFEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2sccc2C(C)C)[C@H]1C ZINC001089056101 778982859 /nfs/dbraw/zinc/98/28/59/778982859.db2.gz PRGHBDZCYMWGDB-OCCSQVGLSA-N 1 1 290.432 2.697 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2sccc2C(C)C)[C@H]1C ZINC001089056101 778982862 /nfs/dbraw/zinc/98/28/62/778982862.db2.gz PRGHBDZCYMWGDB-OCCSQVGLSA-N 1 1 290.432 2.697 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C3CC3)c2)[C@H]1C ZINC001089065204 778984115 /nfs/dbraw/zinc/98/41/15/778984115.db2.gz TVERVIOOJUKJEN-DYVFJYSZSA-N 1 1 284.403 2.943 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2ccc(C)s2)[C@H]1C ZINC001089058670 778984516 /nfs/dbraw/zinc/98/45/16/778984516.db2.gz CPSKRRNALOYPDK-HIFRSBDPSA-N 1 1 292.448 2.754 20 30 CFEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2cc3c(cccc3C)o2)[C@H]1C ZINC001089066987 778985100 /nfs/dbraw/zinc/98/51/00/778985100.db2.gz KJZXCMAARHZXBR-HIFRSBDPSA-N 1 1 296.370 2.567 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2cc3c(cccc3C)o2)[C@H]1C ZINC001089066987 778985104 /nfs/dbraw/zinc/98/51/04/778985104.db2.gz KJZXCMAARHZXBR-HIFRSBDPSA-N 1 1 296.370 2.567 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2cnc3ccccc3c2C)C1 ZINC001030695135 778985263 /nfs/dbraw/zinc/98/52/63/778985263.db2.gz LKBGCJFQTAVTJF-UHFFFAOYSA-N 1 1 295.386 2.533 20 30 CFEDMO C=C(C)CCC(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099098417 778988408 /nfs/dbraw/zinc/98/84/08/778988408.db2.gz PDTJHGPYXVNLGK-CQSZACIVSA-N 1 1 266.429 2.969 20 30 CFEDMO C=CC[NH+]1CCN(Cc2ccc(F)c(F)c2Cl)CC1 ZINC001232875304 778989693 /nfs/dbraw/zinc/98/96/93/778989693.db2.gz CSQPUQIORLLLPN-UHFFFAOYSA-N 1 1 286.753 2.922 20 30 CFEDMO CCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1C#N ZINC001089092939 778995862 /nfs/dbraw/zinc/99/58/62/778995862.db2.gz LEZCJQJBDYJBLZ-KRWDZBQOSA-N 1 1 299.418 2.781 20 30 CFEDMO CCC(=O)N1CCCC[C@H]1C[N@@H+](C)Cc1ccccc1C#N ZINC001089092939 778995865 /nfs/dbraw/zinc/99/58/65/778995865.db2.gz LEZCJQJBDYJBLZ-KRWDZBQOSA-N 1 1 299.418 2.781 20 30 CFEDMO N#CCCCCNc1[nH+]cnc2[nH]c3c(c21)CCCC3 ZINC001168427500 779008454 /nfs/dbraw/zinc/00/84/54/779008454.db2.gz OGZXXDOAJCEWCQ-UHFFFAOYSA-N 1 1 269.352 2.942 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)C2(C3CCC3)CCC2)C1 ZINC001030752558 779009692 /nfs/dbraw/zinc/00/96/92/779009692.db2.gz RXCRUTZQFONIBH-UHFFFAOYSA-N 1 1 276.424 2.723 20 30 CFEDMO N#Cc1ccc2c(c1)C[N@@H+](CC1OC=CC1=S)CC2 ZINC001237179843 779037278 /nfs/dbraw/zinc/03/72/78/779037278.db2.gz GKNSOAGMBKPWDE-UHFFFAOYSA-N 1 1 270.357 2.998 20 30 CFEDMO C=CC[NH+]1CCN(Cc2cccc(OC)c2Cl)CC1 ZINC001237189393 779044011 /nfs/dbraw/zinc/04/40/11/779044011.db2.gz RMCZBFIXLRDCHN-UHFFFAOYSA-N 1 1 280.799 2.652 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2CCNC3=CCCC[C@H]32)cc1 ZINC001237226527 779055216 /nfs/dbraw/zinc/05/52/16/779055216.db2.gz XNUFDPGGTKWAMP-GOSISDBHSA-N 1 1 282.387 2.540 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCNC3=CCCC[C@H]32)cc1 ZINC001237226527 779055222 /nfs/dbraw/zinc/05/52/22/779055222.db2.gz XNUFDPGGTKWAMP-GOSISDBHSA-N 1 1 282.387 2.540 20 30 CFEDMO C=CCC1(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)CCCC1 ZINC001121292928 779065712 /nfs/dbraw/zinc/06/57/12/779065712.db2.gz WHUYLOVBKCGMLU-RRFJBIMHSA-N 1 1 276.424 2.579 20 30 CFEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)cc(F)c1 ZINC001237281036 779067299 /nfs/dbraw/zinc/06/72/99/779067299.db2.gz MPFVHGDWEWIVES-OJNYZHBWSA-N 1 1 260.312 2.798 20 30 CFEDMO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(O)cc(F)c1 ZINC001237281036 779067304 /nfs/dbraw/zinc/06/73/04/779067304.db2.gz MPFVHGDWEWIVES-OJNYZHBWSA-N 1 1 260.312 2.798 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cccc(Cl)c2F)C1 ZINC001030886242 779076426 /nfs/dbraw/zinc/07/64/26/779076426.db2.gz NBOVDJQKVLWMLC-UHFFFAOYSA-N 1 1 296.773 2.859 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2c(F)ccc(C)c2F)C1 ZINC001030894186 779082823 /nfs/dbraw/zinc/08/28/23/779082823.db2.gz IGIGEGBWWZNDNB-UHFFFAOYSA-N 1 1 294.345 2.653 20 30 CFEDMO C=C(C)CN1CC[C@]2(CC[N@H+](C[C@H](C)CC)C2)C1=O ZINC001272420869 779090183 /nfs/dbraw/zinc/09/01/83/779090183.db2.gz MAYGKLQSJACFNS-ZBFHGGJFSA-N 1 1 264.413 2.533 20 30 CFEDMO C=C(C)CN1CC[C@@]2(CC[N@H+](C[C@H](C)CC)C2)C1=O ZINC001272420866 779090343 /nfs/dbraw/zinc/09/03/43/779090343.db2.gz MAYGKLQSJACFNS-GDBMZVCRSA-N 1 1 264.413 2.533 20 30 CFEDMO C#CCN1CC[C@@]2(CCC[N@@H+]2C[C@H](CC)CCCC)C1=O ZINC001272431772 779095651 /nfs/dbraw/zinc/09/56/51/779095651.db2.gz WMTJDUWXUUZQFV-AEFFLSMTSA-N 1 1 290.451 2.903 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]2CC)C1 ZINC001030911662 779096005 /nfs/dbraw/zinc/09/60/05/779096005.db2.gz TYQFVCMXPJWCRB-ZFWWWQNUSA-N 1 1 264.413 2.579 20 30 CFEDMO C=CCN1CC[C@@]2(CCC[N@@H+]2C[C@H](C)CCC)C1=O ZINC001272432506 779097017 /nfs/dbraw/zinc/09/70/17/779097017.db2.gz RDIAQLYMWGRSKF-ZBFHGGJFSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CCN1C[C@@H](c2ccccc2)[C@]2(CC[N@H+](CCC)C2)C1=O ZINC001272451135 779103170 /nfs/dbraw/zinc/10/31/70/779103170.db2.gz ANEXMALGTASHBY-PKOBYXMFSA-N 1 1 298.430 2.901 20 30 CFEDMO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)C ZINC001272452142 779103758 /nfs/dbraw/zinc/10/37/58/779103758.db2.gz HMUHDVYAAJDVNI-HUUCEWRRSA-N 1 1 264.413 2.674 20 30 CFEDMO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)c2cncc(C)c2)C1 ZINC001046212875 779104976 /nfs/dbraw/zinc/10/49/76/779104976.db2.gz QQFWKKMVZGKCLH-KRWDZBQOSA-N 1 1 287.407 2.550 20 30 CFEDMO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCCc1ccccc1 ZINC001272460998 779108650 /nfs/dbraw/zinc/10/86/50/779108650.db2.gz AVQOHSDBERLVJR-QZTJIDSGSA-N 1 1 298.430 2.871 20 30 CFEDMO C[C@H]1C[N@H+](Cc2cn(C)c3ccc(C#N)cc23)CCCC1=O ZINC001237467694 779115052 /nfs/dbraw/zinc/11/50/52/779115052.db2.gz YGOJQLGDURIZLK-ZDUSSCGKSA-N 1 1 295.386 2.851 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2cn(C)c3ccc(C#N)cc23)CCCC1=O ZINC001237467694 779115054 /nfs/dbraw/zinc/11/50/54/779115054.db2.gz YGOJQLGDURIZLK-ZDUSSCGKSA-N 1 1 295.386 2.851 20 30 CFEDMO C[N@H+]1CCC[C@H]1C[C@@H]1CCCCN1Cc1ccnc(C#N)c1 ZINC001237467144 779115083 /nfs/dbraw/zinc/11/50/83/779115083.db2.gz RVAFZQHWFNQZMB-ROUUACIJSA-N 1 1 298.434 2.792 20 30 CFEDMO C[N@H+](CCC(=O)c1cccs1)Cc1ccnc(C#N)c1 ZINC001237469578 779115108 /nfs/dbraw/zinc/11/51/08/779115108.db2.gz YQUNPRYLCWVMDV-UHFFFAOYSA-N 1 1 285.372 2.720 20 30 CFEDMO C[N@@H+](CCC(=O)c1cccs1)Cc1ccnc(C#N)c1 ZINC001237469578 779115112 /nfs/dbraw/zinc/11/51/12/779115112.db2.gz YQUNPRYLCWVMDV-UHFFFAOYSA-N 1 1 285.372 2.720 20 30 CFEDMO Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC001237469673 779115482 /nfs/dbraw/zinc/11/54/82/779115482.db2.gz DSOFQJHRMGAZJT-QGZVFWFLSA-N 1 1 293.370 2.915 20 30 CFEDMO COC(=O)Cc1cccc(C[N@H+]2CCC[C@@H](C#N)CC2)c1 ZINC001237479314 779116416 /nfs/dbraw/zinc/11/64/16/779116416.db2.gz AQHNHNQJSDDIGF-CQSZACIVSA-N 1 1 286.375 2.528 20 30 CFEDMO C=C(C)CN1CC[C@]2(CC[N@H+](CCCCC)C2)C1=O ZINC001272471421 779116718 /nfs/dbraw/zinc/11/67/18/779116718.db2.gz QQRLZASKQGYQDA-INIZCTEOSA-N 1 1 264.413 2.677 20 30 CFEDMO CCCCCCCC[N@H+]1CCOC[C@@]2(CC(=O)N(C)C2)C1 ZINC001272479068 779125343 /nfs/dbraw/zinc/12/53/43/779125343.db2.gz UOHWOZULDUTKTR-QGZVFWFLSA-N 1 1 296.455 2.528 20 30 CFEDMO CN(Cc1cc(C#N)c(F)cc1F)CC1CC[NH+](C)CC1 ZINC001237525542 779126904 /nfs/dbraw/zinc/12/69/04/779126904.db2.gz GWGVRTDZMOZONX-UHFFFAOYSA-N 1 1 293.361 2.610 20 30 CFEDMO N#Cc1cc(CN2CC[N@H+]3CCCC[C@H]3C2)c(F)cc1F ZINC001237526751 779127030 /nfs/dbraw/zinc/12/70/30/779127030.db2.gz QWVCDGKMBSXPDF-AWEZNQCLSA-N 1 1 291.345 2.507 20 30 CFEDMO CC(C)[N@@H+](C)[C@@H]1CCN(Cc2cc(C#N)c(F)cc2F)C1 ZINC001237538051 779128780 /nfs/dbraw/zinc/12/87/80/779128780.db2.gz SKPSOSQHGVBOAG-CQSZACIVSA-N 1 1 293.361 2.751 20 30 CFEDMO C=CC[N@H+](C)Cc1cnc(C)c(Br)c1 ZINC001237561692 779134485 /nfs/dbraw/zinc/13/44/85/779134485.db2.gz OMKHSFZIPRNRGF-UHFFFAOYSA-N 1 1 255.159 2.770 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cc[nH]c2C2CCC2)C1 ZINC001030954681 779139447 /nfs/dbraw/zinc/13/94/47/779139447.db2.gz CLKYVOPUOFXZGQ-UHFFFAOYSA-N 1 1 287.407 2.662 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)F)CC(C)(C)C1 ZINC001089293779 779139544 /nfs/dbraw/zinc/13/95/44/779139544.db2.gz UFASWXOOGMMXLO-ZDUSSCGKSA-N 1 1 284.419 2.917 20 30 CFEDMO C=CC(C)(C)C(=O)NC[C@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099171867 779140176 /nfs/dbraw/zinc/14/01/76/779140176.db2.gz VLNUHAWCMTTWIJ-CYBMUJFWSA-N 1 1 266.429 2.825 20 30 CFEDMO C[N@H+](Cc1cn2cc(C#N)ccc2n1)C[C@@H]1CC1(C)C ZINC001237605894 779140683 /nfs/dbraw/zinc/14/06/83/779140683.db2.gz FRZISOJGMNKJDY-ZDUSSCGKSA-N 1 1 268.364 2.684 20 30 CFEDMO N#Cc1ccc2nc(C[N@@H+]3CCC[C@H](F)CC3)cn2c1 ZINC001237609384 779141799 /nfs/dbraw/zinc/14/17/99/779141799.db2.gz QKRHLQQYIPJPDG-ZDUSSCGKSA-N 1 1 272.327 2.530 20 30 CFEDMO C[C@@H]1CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)[C@H]1C ZINC001237615675 779144793 /nfs/dbraw/zinc/14/47/93/779144793.db2.gz YLHLSPOTWGSPHE-OLZOCXBDSA-N 1 1 268.364 2.826 20 30 CFEDMO N#Cc1ccc2nc(C[N@@H+](CC3CC3)C3CC3)cn2c1 ZINC001237619016 779146311 /nfs/dbraw/zinc/14/63/11/779146311.db2.gz WHIIMYHYEUEUNW-UHFFFAOYSA-N 1 1 266.348 2.580 20 30 CFEDMO C#CCN1CC[C@@]2(CCC[N@@H+](CC3CCCC3)CC2)C1=O ZINC001272500174 779146578 /nfs/dbraw/zinc/14/65/78/779146578.db2.gz SFOQEFFBPFXHAN-SFHVURJKSA-N 1 1 288.435 2.514 20 30 CFEDMO C=C(C)CN1CC[C@@]2(CCC[N@H+]2CCC(F)(F)F)C1=O ZINC001272502664 779149579 /nfs/dbraw/zinc/14/95/79/779149579.db2.gz RXRBJVLYDIZNJW-ZDUSSCGKSA-N 1 1 290.329 2.582 20 30 CFEDMO C#CC[N@@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC(C)=C(C)C ZINC001099181478 779167615 /nfs/dbraw/zinc/16/76/15/779167615.db2.gz ABNRSRCFAXFKLD-INIZCTEOSA-N 1 1 290.451 2.973 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2cc(C)ccc2F)C1 ZINC001031011534 779170974 /nfs/dbraw/zinc/17/09/74/779170974.db2.gz RIOJGYPSUZIINS-UHFFFAOYSA-N 1 1 276.355 2.514 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)c1 ZINC001237747402 779172816 /nfs/dbraw/zinc/17/28/16/779172816.db2.gz VUYNGTQYZRLSOJ-UONOGXRCSA-N 1 1 282.746 2.506 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c1 ZINC001237747402 779172818 /nfs/dbraw/zinc/17/28/18/779172818.db2.gz VUYNGTQYZRLSOJ-UONOGXRCSA-N 1 1 282.746 2.506 20 30 CFEDMO C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC001237746399 779173585 /nfs/dbraw/zinc/17/35/85/779173585.db2.gz MHRDZHXJNDVAIE-NWDGAFQWSA-N 1 1 278.783 2.804 20 30 CFEDMO COC(=O)CC[N@@H+](Cc1cc(Cl)cc(C#N)c1)C1CC1 ZINC001237756228 779175180 /nfs/dbraw/zinc/17/51/80/779175180.db2.gz XWKQPJGEBJDNNW-UHFFFAOYSA-N 1 1 292.766 2.739 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2)CC(C)(C)C1 ZINC001089304327 779181828 /nfs/dbraw/zinc/18/18/28/779181828.db2.gz ZQJAZDDIOSWKGS-KRWDZBQOSA-N 1 1 298.430 2.930 20 30 CFEDMO CCOC(=O)c1ccccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001237887013 779200580 /nfs/dbraw/zinc/20/05/80/779200580.db2.gz OSKRLMFWVVLEPC-AWEZNQCLSA-N 1 1 286.375 2.989 20 30 CFEDMO CCOC(=O)c1ccccc1C[N@H+]1CCC[C@@H](CC#N)C1 ZINC001237887013 779200587 /nfs/dbraw/zinc/20/05/87/779200587.db2.gz OSKRLMFWVVLEPC-AWEZNQCLSA-N 1 1 286.375 2.989 20 30 CFEDMO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(=O)C(C)C ZINC001281919355 779203216 /nfs/dbraw/zinc/20/32/16/779203216.db2.gz NLZGTMVKEJDAEO-HUUCEWRRSA-N 1 1 266.429 2.920 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)C1 ZINC001031082860 779214214 /nfs/dbraw/zinc/21/42/14/779214214.db2.gz WZGQFAMOYHFIFU-MJGOQNOKSA-N 1 1 298.430 2.947 20 30 CFEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2ccoc2)CC(C)(C)C1 ZINC001089317096 779228307 /nfs/dbraw/zinc/22/83/07/779228307.db2.gz HKEWPNKAKCKJTC-OAHLLOKOSA-N 1 1 288.391 2.523 20 30 CFEDMO C=CCCC(=O)N[C@H](C)CCNc1cc(C)[nH+]c(CC)n1 ZINC001106250001 779242288 /nfs/dbraw/zinc/24/22/88/779242288.db2.gz CDUKGZRROBZNTD-GFCCVEGCSA-N 1 1 290.411 2.620 20 30 CFEDMO COC(=O)CC[N@H+](Cc1ccc(C#N)cc1Cl)C1CC1 ZINC001238083861 779249189 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780824036 /nfs/dbraw/zinc/82/40/36/780824036.db2.gz CUUUTYIXOMCEFA-CVEARBPZSA-N 1 1 290.451 2.759 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC3(CCC3)C2)C1 ZINC001033927872 780826473 /nfs/dbraw/zinc/82/64/73/780826473.db2.gz UKMBUZRLBNRDAU-OAHLLOKOSA-N 1 1 276.424 2.676 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001033929136 780827119 /nfs/dbraw/zinc/82/71/19/780827119.db2.gz IAVONKIBVQAPNK-RBSFLKMASA-N 1 1 264.413 2.531 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2CCC)C1 ZINC001033953841 780835860 /nfs/dbraw/zinc/83/58/60/780835860.db2.gz XPLGUHLTOUWBIM-QLFBSQMISA-N 1 1 264.413 2.531 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033951668 780836155 /nfs/dbraw/zinc/83/61/55/780836155.db2.gz KUBGPIFJGNHJQW-HOTGVXAUSA-N 1 1 290.451 2.759 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cc(C)co2)C1 ZINC001033942068 780839840 /nfs/dbraw/zinc/83/98/40/780839840.db2.gz UONZVKKZAFCLNN-CQSZACIVSA-N 1 1 276.380 2.701 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001033945025 780841275 /nfs/dbraw/zinc/84/12/75/780841275.db2.gz WFYGLZGRFNBFDO-LSDHHAIUSA-N 1 1 278.440 2.922 20 30 CFEDMO C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)c2cc(C)[nH]c2C)C1 ZINC001033967312 780842167 /nfs/dbraw/zinc/84/21/67/780842167.db2.gz FOWBHQDKAWSEDE-HNNXBMFYSA-N 1 1 289.423 2.744 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2C[C@H]2C2CCC2)C1 ZINC001033986247 780847858 /nfs/dbraw/zinc/84/78/58/780847858.db2.gz MYHWOVHSYIYKGX-YESZJQIVSA-N 1 1 290.451 2.922 20 30 CFEDMO C=CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[C@@H]2c2ccccc2)C1 ZINC001033980971 780848842 /nfs/dbraw/zinc/84/88/42/780848842.db2.gz BDGUUROTQGSSAP-KSZLIROESA-N 1 1 298.430 2.899 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CCC=CCC2)C1 ZINC001034041113 780864197 /nfs/dbraw/zinc/86/41/97/780864197.db2.gz CCWBLHXJCPGDDS-KRWDZBQOSA-N 1 1 288.435 2.679 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)oc2C)C1 ZINC001034103042 780894266 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C[C@@]12CN(Cc3ccccc3)C[C@@H]1C[N@@H+](CCCC#N)C2 ZINC000702259029 780900201 /nfs/dbraw/zinc/90/02/01/780900201.db2.gz ZRYKUXBWUOZDQW-ZWKOTPCHSA-N 1 1 283.419 2.744 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001034152001 780907338 /nfs/dbraw/zinc/90/73/38/780907338.db2.gz PQGSZXCPIKZJLC-YMAMQOFZSA-N 1 1 264.413 2.579 20 30 CFEDMO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)c2cc[nH]c2C)C1 ZINC001034149833 780907961 /nfs/dbraw/zinc/90/79/61/780907961.db2.gz GRINPWBRAGLCOJ-HNNXBMFYSA-N 1 1 289.423 2.874 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001034155810 780910777 /nfs/dbraw/zinc/91/07/77/780910777.db2.gz OMQQQGJKEMSLEP-UKRRQHHQSA-N 1 1 264.413 2.579 20 30 CFEDMO C=C(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001034155808 780910784 /nfs/dbraw/zinc/91/07/84/780910784.db2.gz OMQQQGJKEMSLEP-DZGCQCFKSA-N 1 1 264.413 2.579 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2c(C)coc2C)C1 ZINC001034193964 780921748 /nfs/dbraw/zinc/92/17/48/780921748.db2.gz 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C=CC[N@H+]1CCCC[C@H](NC(=O)C2CC3(CCC3)C2)C1 ZINC001034358738 780952021 /nfs/dbraw/zinc/95/20/21/780952021.db2.gz VHLCTMHJQOJRTQ-HNNXBMFYSA-N 1 1 276.424 2.723 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001034352378 780954688 /nfs/dbraw/zinc/95/46/88/780954688.db2.gz POHVGYFAZGGMMH-IRXDYDNUSA-N 1 1 288.435 2.727 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1 ZINC001034371680 780957069 /nfs/dbraw/zinc/95/70/69/780957069.db2.gz HSZYZEWMVXUUEI-INIZCTEOSA-N 1 1 297.402 2.938 20 30 CFEDMO C=C1CCC(C(=O)N[C@H]2CCCC[N@H+](CC#CC)C2)CC1 ZINC001034382260 780961354 /nfs/dbraw/zinc/96/13/54/780961354.db2.gz QGKDAMQKNVFGTP-KRWDZBQOSA-N 1 1 288.435 2.727 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC(C)(C)C2)C1 ZINC001034385985 780962750 /nfs/dbraw/zinc/96/27/50/780962750.db2.gz ORJSGCUTHGDDSV-LSDHHAIUSA-N 1 1 278.440 2.969 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001034426739 780968338 /nfs/dbraw/zinc/96/83/38/780968338.db2.gz XPDKFCWGSVXFQB-ZIAGYGMSSA-N 1 1 296.842 2.900 20 30 CFEDMO C=C(Cl)C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CC23CCC3)C1 ZINC001034426739 780968340 /nfs/dbraw/zinc/96/83/40/780968340.db2.gz XPDKFCWGSVXFQB-ZIAGYGMSSA-N 1 1 296.842 2.900 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001034434903 780975121 /nfs/dbraw/zinc/97/51/21/780975121.db2.gz FDPQHVNQSCZWKD-OWCLPIDISA-N 1 1 276.424 2.579 20 30 CFEDMO C[N@@H+]1CCC=C(c2cc(C#N)cc(C(F)(F)F)n2)C1 ZINC001241565633 780981896 /nfs/dbraw/zinc/98/18/96/780981896.db2.gz NCPMMCFIFAQQBD-UHFFFAOYSA-N 1 1 267.254 2.691 20 30 CFEDMO C[N@H+]1CCC=C(c2cc(C#N)cc(C(F)(F)F)n2)C1 ZINC001241565633 780981901 /nfs/dbraw/zinc/98/19/01/780981901.db2.gz NCPMMCFIFAQQBD-UHFFFAOYSA-N 1 1 267.254 2.691 20 30 CFEDMO C=CC[N@H+]1CCCC[C@H](NC(=O)[C@H]2CC23CCCC3)C1 ZINC001034472954 780982006 /nfs/dbraw/zinc/98/20/06/780982006.db2.gz ARRIDQWFWDSDRK-LSDHHAIUSA-N 1 1 276.424 2.723 20 30 CFEDMO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2c(F)cccc2F)C1 ZINC001034499722 780982170 /nfs/dbraw/zinc/98/21/70/780982170.db2.gz GKRDCTSKMNIMJM-GFCCVEGCSA-N 1 1 294.345 2.735 20 30 CFEDMO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001034496841 780983830 /nfs/dbraw/zinc/98/38/30/780983830.db2.gz XPWQQLQRUROWQQ-ZDUSSCGKSA-N 1 1 252.402 2.579 20 30 CFEDMO C=CCC[N@H+]1CCCC[C@H](NC(=O)C(C2CC2)C2CC2)C1 ZINC001034483284 780985728 /nfs/dbraw/zinc/98/57/28/780985728.db2.gz JWFQLEADQOWQGP-INIZCTEOSA-N 1 1 290.451 2.969 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@@H](NC(=O)c2cc(C)ccc2C)C1 ZINC001034502986 780986850 /nfs/dbraw/zinc/98/68/50/780986850.db2.gz LEWUMTCYSRTBCP-QGZVFWFLSA-N 1 1 298.430 2.911 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001034514675 780989208 /nfs/dbraw/zinc/98/92/08/780989208.db2.gz IXKXXBPIYJCXIR-SFHVURJKSA-N 1 1 298.430 2.857 20 30 CFEDMO CC#CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC)cc2)C1 ZINC001034513541 780989500 /nfs/dbraw/zinc/98/95/00/780989500.db2.gz BELHWJLUTQQCPD-GOSISDBHSA-N 1 1 298.430 2.857 20 30 CFEDMO 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COC(C)(C)C[N@@H+](C)Cc1cccc(F)c1C#N ZINC000589984543 348867213 /nfs/dbraw/zinc/86/72/13/348867213.db2.gz BWNFJIGAHJOJRQ-UHFFFAOYSA-N 1 1 250.317 2.554 20 30 CFEDMO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000590168825 348881744 /nfs/dbraw/zinc/88/17/44/348881744.db2.gz ILURSZAECKAVAG-WCQYABFASA-N 1 1 271.320 2.645 20 30 CFEDMO N#C[C@H]1CC[C@@H]([N@H+]2CCc3c(cccc3[N+](=O)[O-])C2)C1 ZINC000590168825 348881745 /nfs/dbraw/zinc/88/17/45/348881745.db2.gz ILURSZAECKAVAG-WCQYABFASA-N 1 1 271.320 2.645 20 30 CFEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@H](Cc3ccncc3)C2)C1 ZINC000590173489 348883155 /nfs/dbraw/zinc/88/31/55/348883155.db2.gz WZDGJWKFWPZVDX-OAGGEKHMSA-N 1 1 255.365 2.638 20 30 CFEDMO N#C[C@@H]1CC[C@@H]([N@H+]2CC[C@H](Oc3cccc(F)c3)C2)C1 ZINC000590173209 348883222 /nfs/dbraw/zinc/88/32/22/348883222.db2.gz PKNKGUJYCBQLCV-XPKDYRNWSA-N 1 1 274.339 2.971 20 30 CFEDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CC2(C#N)CC2)C1 ZINC000590174336 348883261 /nfs/dbraw/zinc/88/32/61/348883261.db2.gz MWWMWFCQBHKQBL-GOEBONIOSA-N 1 1 297.402 2.632 20 30 CFEDMO N#Cc1cc(C[N@H+]2CCC[C@H](c3ccncc3)C2)ccn1 ZINC000590741206 348940405 /nfs/dbraw/zinc/94/04/05/348940405.db2.gz KSBLLDGGVSIGEP-INIZCTEOSA-N 1 1 278.359 2.728 20 30 CFEDMO Cc1ccc(C[N@@H+](C)CCOc2ccc(C#N)cc2)nc1 ZINC000590754661 348942653 /nfs/dbraw/zinc/94/26/53/348942653.db2.gz MXEPIOIMBJGISK-UHFFFAOYSA-N 1 1 281.359 2.773 20 30 CFEDMO CC[C@H]1C[N@@H+](C)CCN1C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000590522892 348907340 /nfs/dbraw/zinc/90/73/40/348907340.db2.gz DUTXBICDLJTQSN-SJORKVTESA-N 1 1 299.418 2.627 20 30 CFEDMO N#CC1(CC[N@@H+]2CCC[C@H](CCO)C2)CCCCC1 ZINC000591013214 348978507 /nfs/dbraw/zinc/97/85/07/348978507.db2.gz IWZKQNJSERCEKQ-OAHLLOKOSA-N 1 1 264.413 2.945 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061924 348982409 /nfs/dbraw/zinc/98/24/09/348982409.db2.gz ONOGWPXUTUKUPZ-UNEWFSDZSA-N 1 1 291.439 2.551 20 30 CFEDMO N#CCC[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000591739127 349041387 /nfs/dbraw/zinc/04/13/87/349041387.db2.gz IZDWSQJIMURSMP-NSHDSACASA-N 1 1 299.296 2.667 20 30 CFEDMO N#Cc1cc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)ccn1 ZINC000591856314 349051175 /nfs/dbraw/zinc/05/11/75/349051175.db2.gz GMNSJZAKAWKEFV-QGZVFWFLSA-N 1 1 297.402 2.734 20 30 CFEDMO N#Cc1ccc2ncc(C[N@H+]3CC[C@H](C4CCC4)C3)n2c1 ZINC000591267791 349004908 /nfs/dbraw/zinc/00/49/08/349004908.db2.gz VBHJUVHPTCNCLF-HNNXBMFYSA-N 1 1 280.375 2.828 20 30 CFEDMO C[N@@H+](Cc1ccnc(C#N)c1)C1CC(OC(C)(C)C)C1 ZINC000591478036 349026810 /nfs/dbraw/zinc/02/68/10/349026810.db2.gz NRKHQLKXFQCJII-UHFFFAOYSA-N 1 1 273.380 2.731 20 30 CFEDMO C[C@@H]1CC[NH2+]CC[C@H]1NCc1ccc(C#N)c(Cl)c1 ZINC000591573438 349030765 /nfs/dbraw/zinc/03/07/65/349030765.db2.gz WXKIRFBPSNGRQH-IAQYHMDHSA-N 1 1 277.799 2.689 20 30 CFEDMO N#Cc1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CCC[NH2+]C1 ZINC000591577866 349030815 /nfs/dbraw/zinc/03/08/15/349030815.db2.gz KBMPZFYDLHQWSS-PBHICJAKSA-N 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/nfs/dbraw/zinc/08/21/94/349082194.db2.gz JKCWQOPEGSBCGB-HUUCEWRRSA-N 1 1 285.391 2.592 20 30 CFEDMO N#Cc1cnccc1C[N@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000592096039 349082198 /nfs/dbraw/zinc/08/21/98/349082198.db2.gz JKCWQOPEGSBCGB-HUUCEWRRSA-N 1 1 285.391 2.592 20 30 CFEDMO C[C@H]([NH2+]Cc1ccncc1C#N)c1ccc2c(c1)OCO2 ZINC000592094708 349082249 /nfs/dbraw/zinc/08/22/49/349082249.db2.gz UCJWFVBRILLRSA-NSHDSACASA-N 1 1 281.315 2.533 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccncc1C#N)[C@@H]1OCCc2sccc21 ZINC000592122202 349085739 /nfs/dbraw/zinc/08/57/39/349085739.db2.gz HTTUFHRGMHZGOT-BZNIZROVSA-N 1 1 299.399 2.807 20 30 CFEDMO C[C@@H]1Cc2c([nH+]cn2Cc2ccncc2C#N)C[C@@H]1C ZINC000592127271 349088039 /nfs/dbraw/zinc/08/80/39/349088039.db2.gz ZMHQLKLSSHFULI-NWDGAFQWSA-N 1 1 266.348 2.569 20 30 CFEDMO C[C@@H](c1ccc(OC(F)F)cc1)[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148252 349091716 /nfs/dbraw/zinc/09/17/16/349091716.db2.gz XAIRWFOZHWJAPK-NHYWBVRUSA-N 1 1 296.317 2.699 20 30 CFEDMO Cc1cc(C#N)ccc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000592153470 349092174 /nfs/dbraw/zinc/09/21/74/349092174.db2.gz AWIRFPARQHMVAK-KRWDZBQOSA-N 1 1 270.376 2.868 20 30 CFEDMO N#CC[C@]1(O)CC[N@@H+](C/C=C/c2ccc(Cl)cc2)C1 ZINC000592153156 349092388 /nfs/dbraw/zinc/09/23/88/349092388.db2.gz JWRMFTSKACQVNA-YLSAJCSVSA-N 1 1 276.767 2.704 20 30 CFEDMO CC(C)COc1ccc(C[N@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592521724 349132615 /nfs/dbraw/zinc/13/26/15/349132615.db2.gz BMSPUBBEIDYHER-QGZVFWFLSA-N 1 1 288.391 2.572 20 30 CFEDMO N#CC[C@]1(O)CC[N@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000592523166 349132778 /nfs/dbraw/zinc/13/27/78/349132778.db2.gz WMPDEEPGABWUFZ-KRWDZBQOSA-N 1 1 298.342 2.922 20 30 CFEDMO N#CC[C@]1(O)CC[N@@H+](Cc2ccc(Oc3ccccc3)o2)C1 ZINC000592523166 349132780 /nfs/dbraw/zinc/13/27/80/349132780.db2.gz WMPDEEPGABWUFZ-KRWDZBQOSA-N 1 1 298.342 2.922 20 30 CFEDMO C[C@@H](CC#N)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000596892349 350002304 /nfs/dbraw/zinc/00/23/04/350002304.db2.gz PEAAINVMEOJBAZ-HNNXBMFYSA-N 1 1 291.439 2.651 20 30 CFEDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(C#N)o1)CCOCC2 ZINC000592526657 349135349 /nfs/dbraw/zinc/13/53/49/349135349.db2.gz IWTPIZUSULAROG-LBPRGKRZSA-N 1 1 260.337 2.542 20 30 CFEDMO CO[C@H](C)C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C(C)C ZINC000593014957 349187059 /nfs/dbraw/zinc/18/70/59/349187059.db2.gz VZUBBDZNJZYMNC-GFCCVEGCSA-N 1 1 291.351 2.712 20 30 CFEDMO C[N@H+]1CCC[C@@H]1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000593013205 349187364 /nfs/dbraw/zinc/18/73/64/349187364.db2.gz IPGVUVIPRQCIJV-SQNIBIBYSA-N 1 1 283.419 2.852 20 30 CFEDMO CC[C@H](OCC[N@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000593035819 349190986 /nfs/dbraw/zinc/19/09/86/349190986.db2.gz SSBUSCRFQUXNGE-IRXDYDNUSA-N 1 1 288.391 2.505 20 30 CFEDMO CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)c1cccc(C#N)c1 ZINC000592753679 349164587 /nfs/dbraw/zinc/16/45/87/349164587.db2.gz PDQYXTCAZLOIDA-CYBMUJFWSA-N 1 1 296.374 2.931 20 30 CFEDMO N#Cc1cccc(OCC[N@H+]2CCC23CCCC3)c1 ZINC000593037778 349191603 /nfs/dbraw/zinc/19/16/03/349191603.db2.gz DIXKZJUKZUSWME-UHFFFAOYSA-N 1 1 256.349 2.956 20 30 CFEDMO COCCN1CC[N@@H+](CCCCC(C)(C)C#N)C(C)(C)C1 ZINC000593101791 349209621 /nfs/dbraw/zinc/20/96/21/349209621.db2.gz TXXXGTAIMUIVEJ-UHFFFAOYSA-N 1 1 295.471 2.749 20 30 CFEDMO COCC[N@@H+]1CCN(CCCCC(C)(C)C#N)C(C)(C)C1 ZINC000593101791 349209623 /nfs/dbraw/zinc/20/96/23/349209623.db2.gz TXXXGTAIMUIVEJ-UHFFFAOYSA-N 1 1 295.471 2.749 20 30 CFEDMO COCC[N@H+]1CCN(CCCCC(C)(C)C#N)C(C)(C)C1 ZINC000593101791 349209628 /nfs/dbraw/zinc/20/96/28/349209628.db2.gz TXXXGTAIMUIVEJ-UHFFFAOYSA-N 1 1 295.471 2.749 20 30 CFEDMO CC[N@@H+](Cc1cn2ccccc2c1C#N)[C@H]1CCCOC1 ZINC000593069475 349201402 /nfs/dbraw/zinc/20/14/02/349201402.db2.gz SRHKJYHPAZAVCF-HNNXBMFYSA-N 1 1 283.375 2.812 20 30 CFEDMO C=CC[C@H]1CC[C@H]([N@@H+]2CCC[C@@H]2C(=O)OCC)C1 ZINC000593617024 349299818 /nfs/dbraw/zinc/29/98/18/349299818.db2.gz JRDSJJDBMIPTKL-MELADBBJSA-N 1 1 251.370 2.759 20 30 CFEDMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593899626 349334008 /nfs/dbraw/zinc/33/40/08/349334008.db2.gz FEWVDLGABQMKMD-MRXNPFEDSA-N 1 1 297.402 2.665 20 30 CFEDMO N#CCCCC[C@H]([NH3+])c1nc(COc2ccccc2)no1 ZINC000593943270 349336835 /nfs/dbraw/zinc/33/68/35/349336835.db2.gz LNTYHNTZBDRUJQ-ZDUSSCGKSA-N 1 1 286.335 2.732 20 30 CFEDMO N#CCCCC[C@H]([NH3+])c1nc(-c2ccc(F)cc2)no1 ZINC000593942270 349337240 /nfs/dbraw/zinc/33/72/40/349337240.db2.gz FTWSEYDCQLLPJJ-LBPRGKRZSA-N 1 1 274.299 2.959 20 30 CFEDMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCCCC#N ZINC000593979530 349345082 /nfs/dbraw/zinc/34/50/82/349345082.db2.gz HQXTWHSWRHFPPY-INIZCTEOSA-N 1 1 299.418 2.803 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCCCC#N ZINC000593979530 349345085 /nfs/dbraw/zinc/34/50/85/349345085.db2.gz HQXTWHSWRHFPPY-INIZCTEOSA-N 1 1 299.418 2.803 20 30 CFEDMO N#Cc1ccc(C2([NH2+]Cc3ccncc3C#N)CCC2)cc1 ZINC000594035436 349358547 /nfs/dbraw/zinc/35/85/47/349358547.db2.gz MULPGBGDQYGAEU-UHFFFAOYSA-N 1 1 288.354 2.994 20 30 CFEDMO 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MHICUEQTFWVZDV-XJKSGUPXSA-N 1 1 258.365 2.724 20 30 CFEDMO Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1C#N ZINC000599435008 350437855 /nfs/dbraw/zinc/43/78/55/350437855.db2.gz OUFLXTMFVIAQFQ-TZMCWYRMSA-N 1 1 298.308 2.612 20 30 CFEDMO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1C#N ZINC000599290981 350407086 /nfs/dbraw/zinc/40/70/86/350407086.db2.gz GPFVWWYULKIJFX-QGZVFWFLSA-N 1 1 269.392 2.535 20 30 CFEDMO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC3)C2)cc1C#N ZINC000599290981 350407090 /nfs/dbraw/zinc/40/70/90/350407090.db2.gz GPFVWWYULKIJFX-QGZVFWFLSA-N 1 1 269.392 2.535 20 30 CFEDMO Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC3)C2)cc1C#N ZINC000599290981 350407094 /nfs/dbraw/zinc/40/70/94/350407094.db2.gz GPFVWWYULKIJFX-QGZVFWFLSA-N 1 1 269.392 2.535 20 30 CFEDMO CC[C@]1(C)CCC[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000599304590 350410178 /nfs/dbraw/zinc/41/01/78/350410178.db2.gz YOAHKVMVAPJWRH-HZPDHXFCSA-N 1 1 294.439 2.570 20 30 CFEDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599307705 350411166 /nfs/dbraw/zinc/41/11/66/350411166.db2.gz MLKZWVHUFYUIJI-HNNXBMFYSA-N 1 1 258.365 2.725 20 30 CFEDMO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H]2c2cccc(F)c2)CC1 ZINC000599316190 350413233 /nfs/dbraw/zinc/41/32/33/350413233.db2.gz MGAFIYCPZBYMAU-CABCVRRESA-N 1 1 274.339 2.627 20 30 CFEDMO COC(=O)CCCC[N@@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000599343110 350418448 /nfs/dbraw/zinc/41/84/48/350418448.db2.gz YCHRGEDMLNKUGW-UHFFFAOYSA-N 1 1 298.386 2.991 20 30 CFEDMO Cc1ccc(C[N@H+]2CCCN(CC(F)F)CC2)cc1C#N ZINC000599351698 350420808 /nfs/dbraw/zinc/42/08/08/350420808.db2.gz HKSYBGMNNOUFRL-UHFFFAOYSA-N 1 1 293.361 2.640 20 30 CFEDMO Cc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)cc1C#N ZINC000599366115 350424344 /nfs/dbraw/zinc/42/43/44/350424344.db2.gz KNNSZXPVTMOJAR-DOTOQJQBSA-N 1 1 272.392 2.850 20 30 CFEDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599384744 350428372 /nfs/dbraw/zinc/42/83/72/350428372.db2.gz LSTINQAFPGXJSL-UAGQMJEPSA-N 1 1 298.386 2.640 20 30 CFEDMO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599384744 350428377 /nfs/dbraw/zinc/42/83/77/350428377.db2.gz LSTINQAFPGXJSL-UAGQMJEPSA-N 1 1 298.386 2.640 20 30 CFEDMO CO[C@H]1CC[N@@H+](Cc2ccc(C)c(C#N)c2)[C@@H](C)C1 ZINC000599398560 350430775 /nfs/dbraw/zinc/43/07/75/350430775.db2.gz ZDOHHFQEICNEIV-BBRMVZONSA-N 1 1 258.365 2.866 20 30 CFEDMO Cc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1C#N ZINC000599416603 350432768 /nfs/dbraw/zinc/43/27/68/350432768.db2.gz HLHXFBQJFJQPRA-JWTNVVGKSA-N 1 1 283.419 2.924 20 30 CFEDMO COCC[N@H+](Cc1ccc(C)c(C#N)c1)Cc1ccccn1 ZINC000599415661 350433010 /nfs/dbraw/zinc/43/30/10/350433010.db2.gz ANWZRVCNDWPKKI-UHFFFAOYSA-N 1 1 295.386 2.910 20 30 CFEDMO COCC[N@@H+](Cc1ccc(C)c(C#N)c1)Cc1ccccn1 ZINC000599415661 350433013 /nfs/dbraw/zinc/43/30/13/350433013.db2.gz ANWZRVCNDWPKKI-UHFFFAOYSA-N 1 1 295.386 2.910 20 30 CFEDMO C[C@@H]1C[N@@H+](C[C@@H](C#N)CCC#N)C[C@H](C)C1(F)F ZINC000599512192 350447741 /nfs/dbraw/zinc/44/77/41/350447741.db2.gz FMASMAIJIKEAIM-GRYCIOLGSA-N 1 1 255.312 2.653 20 30 CFEDMO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@H](C)C1(F)F ZINC000599512192 350447743 /nfs/dbraw/zinc/44/77/43/350447743.db2.gz FMASMAIJIKEAIM-GRYCIOLGSA-N 1 1 255.312 2.653 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)C[C@H](C)C1(F)F ZINC000599512630 350447799 /nfs/dbraw/zinc/44/77/99/350447799.db2.gz LLWZMVHLWCXQCK-PHIMTYICSA-N 1 1 265.307 2.676 20 30 CFEDMO C[C@@H]1C[NH+](C[C@H](C#N)CCC#N)C[C@@H](C)C1(F)F ZINC000599512195 350448280 /nfs/dbraw/zinc/44/82/80/350448280.db2.gz FMASMAIJIKEAIM-UTUOFQBUSA-N 1 1 255.312 2.653 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2cc(C(=O)OC)oc2C)C1 ZINC000599526938 350450471 /nfs/dbraw/zinc/45/04/71/350450471.db2.gz XMPYPXZNXNTHIL-LBPRGKRZSA-N 1 1 263.337 2.773 20 30 CFEDMO C=CC[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000599526958 350450517 /nfs/dbraw/zinc/45/05/17/350450517.db2.gz YHVPFZWIQLPMLF-ZDUSSCGKSA-N 1 1 259.349 2.871 20 30 CFEDMO C=CC[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)c(C)o2)C1 ZINC000599526692 350450811 /nfs/dbraw/zinc/45/08/11/350450811.db2.gz PMVWIXMOJSRNIS-GFCCVEGCSA-N 1 1 263.337 2.773 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599589522 350461462 /nfs/dbraw/zinc/46/14/62/350461462.db2.gz MOVMHFDGPMSJDJ-MCIONIFRSA-N 1 1 280.412 2.978 20 30 CFEDMO Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CCO)cc1C#N ZINC000599465265 350441571 /nfs/dbraw/zinc/44/15/71/350441571.db2.gz DSBWNRJBBVWGNI-YOEHRIQHSA-N 1 1 272.392 2.850 20 30 CFEDMO Cc1ccc(C[N@@H+]2CCO[C@@](C)(C3CC3)C2)cc1C#N ZINC000599467946 350442569 /nfs/dbraw/zinc/44/25/69/350442569.db2.gz BWDJNONXXJTZSN-QGZVFWFLSA-N 1 1 270.376 2.868 20 30 CFEDMO Cc1ccc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)cc1C#N ZINC000599467946 350442574 /nfs/dbraw/zinc/44/25/74/350442574.db2.gz BWDJNONXXJTZSN-QGZVFWFLSA-N 1 1 270.376 2.868 20 30 CFEDMO CC[C@@H]1CC[C@@H](C)[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)C1 ZINC000599466988 350442743 /nfs/dbraw/zinc/44/27/43/350442743.db2.gz FGQVBOGJAJZBIP-OAGGEKHMSA-N 1 1 294.439 2.568 20 30 CFEDMO CCOCC[N@H+](CCC#N)[C@@H]1CCc2ccccc21 ZINC000599624399 350466124 /nfs/dbraw/zinc/46/61/24/350466124.db2.gz DNOIEEVCVAXFQS-MRXNPFEDSA-N 1 1 258.365 2.926 20 30 CFEDMO CCOCC[N@@H+](CCC#N)[C@@H]1CCc2ccccc21 ZINC000599624399 350466126 /nfs/dbraw/zinc/46/61/26/350466126.db2.gz DNOIEEVCVAXFQS-MRXNPFEDSA-N 1 1 258.365 2.926 20 30 CFEDMO C[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N)C1CCCCC1 ZINC000599632981 350469209 /nfs/dbraw/zinc/46/92/09/350469209.db2.gz INWVMECDNBQZAB-CABCVRRESA-N 1 1 293.455 2.895 20 30 CFEDMO COC(=O)[C@@H]1CC[N@@H+](CCC(C)(C)C#N)[C@H]2CCC[C@H]21 ZINC000599651494 350472947 /nfs/dbraw/zinc/47/29/47/350472947.db2.gz CHRPKRZFWLMKQO-MJBXVCDLSA-N 1 1 278.396 2.590 20 30 CFEDMO CCC(O)(CC)C[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000599672207 350477092 /nfs/dbraw/zinc/47/70/92/350477092.db2.gz ALWGSUJQUSIJNQ-UHFFFAOYSA-N 1 1 260.381 2.850 20 30 CFEDMO Cc1nocc1C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678472 350479565 /nfs/dbraw/zinc/47/95/65/350479565.db2.gz RFKYHBJFEURTRL-UHFFFAOYSA-N 1 1 267.332 2.607 20 30 CFEDMO Cc1nocc1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678472 350479570 /nfs/dbraw/zinc/47/95/70/350479570.db2.gz RFKYHBJFEURTRL-UHFFFAOYSA-N 1 1 267.332 2.607 20 30 CFEDMO C[C@@H](CCC#N)[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000599677817 350479852 /nfs/dbraw/zinc/47/98/52/350479852.db2.gz LWGYTEWBJZKWFB-ZDUSSCGKSA-N 1 1 253.349 2.803 20 30 CFEDMO N#CCc1cccc2c1CC[N@@H+](CC[C@H]1CCCO1)C2 ZINC000599679105 350481003 /nfs/dbraw/zinc/48/10/03/350481003.db2.gz WDAWCSFWZYSQHU-MRXNPFEDSA-N 1 1 270.376 2.680 20 30 CFEDMO COc1ccc([C@@H]2CC[N@@H+](CCCC#N)C2)cc1F ZINC000599679786 350481048 /nfs/dbraw/zinc/48/10/48/350481048.db2.gz OWBZEDJUNQTRAL-CYBMUJFWSA-N 1 1 262.328 2.927 20 30 CFEDMO C[C@@H]1CC[C@H](C[N@H+]2CCc3c(CC#N)cccc3C2)O1 ZINC000599679433 350481334 /nfs/dbraw/zinc/48/13/34/350481334.db2.gz ZYNBOINWFIPNCQ-CZUORRHYSA-N 1 1 270.376 2.678 20 30 CFEDMO C/C=C\C[C@@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000599688321 350482959 /nfs/dbraw/zinc/48/29/59/350482959.db2.gz CKQZTSUAKLKYJV-NWRQEBOHSA-N 1 1 264.413 2.965 20 30 CFEDMO COC(=O)[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000599690685 350484420 /nfs/dbraw/zinc/48/44/20/350484420.db2.gz PBZUCAKJMDSQBK-YWVIFJGQSA-N 1 1 286.375 2.720 20 30 CFEDMO COCC[N@H+](CCC#N)C[C@H](C)c1ccc(C)cc1 ZINC000600116336 350512220 /nfs/dbraw/zinc/51/22/20/350512220.db2.gz BDDUARQLQQAZAT-HNNXBMFYSA-N 1 1 260.381 2.961 20 30 CFEDMO COCC[N@@H+](CCC#N)C[C@H](C)c1ccc(C)cc1 ZINC000600116336 350512224 /nfs/dbraw/zinc/51/22/24/350512224.db2.gz BDDUARQLQQAZAT-HNNXBMFYSA-N 1 1 260.381 2.961 20 30 CFEDMO CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000600167961 350528300 /nfs/dbraw/zinc/52/83/00/350528300.db2.gz VBUHDSLAEBCJQZ-RBSFLKMASA-N 1 1 250.386 2.553 20 30 CFEDMO C=CC[N@H+](Cc1cccc(C#N)c1)CC1=CCCOC1 ZINC000092504537 180398678 /nfs/dbraw/zinc/39/86/78/180398678.db2.gz REJGDMIUBOFONE-UHFFFAOYSA-N 1 1 268.360 2.893 20 30 CFEDMO C=CCC[C@H](CC)[NH2+][C@@H](C[C@H]1CCCOC1)C(=O)OC ZINC000600207507 350539551 /nfs/dbraw/zinc/53/95/51/350539551.db2.gz LJZVVLZBGFOQDM-ILXRZTDVSA-N 1 1 283.412 2.679 20 30 CFEDMO N#CCCCCCC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000600471966 350557410 /nfs/dbraw/zinc/55/74/10/350557410.db2.gz WFRVUUKINNBVTA-HNNXBMFYSA-N 1 1 277.412 2.594 20 30 CFEDMO C[N@@H+](CCOc1ccccc1C#N)CCC(F)(F)F ZINC000109120372 186244610 /nfs/dbraw/zinc/24/46/10/186244610.db2.gz DJLBUWDQBBWOMD-UHFFFAOYSA-N 1 1 272.270 2.821 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)o1 ZINC000271389419 191112507 /nfs/dbraw/zinc/11/25/07/191112507.db2.gz STTSUBMFZLXAPO-GFCCVEGCSA-N 1 1 297.362 2.526 20 30 CFEDMO CC[NH+](CC)Cc1cn(-c2ccc(Cl)cc2C#N)nn1 ZINC000600975972 350640246 /nfs/dbraw/zinc/64/02/46/350640246.db2.gz MMMQSGIZNSRSPX-UHFFFAOYSA-N 1 1 289.770 2.634 20 30 CFEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccccc1CC#N ZINC000601011890 350645423 /nfs/dbraw/zinc/64/54/23/350645423.db2.gz VPVLKNAUCUJWQV-CABCVRRESA-N 1 1 299.418 2.603 20 30 CFEDMO Cc1[nH]c(C#N)cc1-c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000601965031 350820158 /nfs/dbraw/zinc/82/01/58/350820158.db2.gz QHKDWOUCLOZJAA-VGPLMAKISA-N 1 1 297.362 2.585 20 30 CFEDMO Cc1cc(C[N@H+]2CCO[C@@H](C(F)F)CC2)ccc1C#N ZINC000601970459 350821842 /nfs/dbraw/zinc/82/18/42/350821842.db2.gz JDJDGMLRANZOER-CQSZACIVSA-N 1 1 280.318 2.723 20 30 CFEDMO C=CCN(CC1CCCCC1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000601893548 350798838 /nfs/dbraw/zinc/79/88/38/350798838.db2.gz FSMMYIRPSMJVNO-MRXNPFEDSA-N 1 1 293.455 2.859 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@H](NCc2cccc(F)c2C#N)C1 ZINC000602029329 350836171 /nfs/dbraw/zinc/83/61/71/350836171.db2.gz UNTAGQVPRKNYLG-ZDUSSCGKSA-N 1 1 275.371 2.660 20 30 CFEDMO CC(C)c1[nH+]ccn1CC(=O)N(C)c1cccc(C#N)c1 ZINC000602079599 350838324 /nfs/dbraw/zinc/83/83/24/350838324.db2.gz CSOCDRKFZXEDHB-UHFFFAOYSA-N 1 1 282.347 2.541 20 30 CFEDMO C[C@@H](NC(=O)[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(C#N)c1 ZINC000602109661 350842142 /nfs/dbraw/zinc/84/21/42/350842142.db2.gz UJOFXXPUPBSNIE-DYVFJYSZSA-N 1 1 297.402 2.752 20 30 CFEDMO C[N@@H+](CC(=O)N[C@H]1CCc2cc(C#N)ccc21)CC(C)(C)C ZINC000602138603 350845893 /nfs/dbraw/zinc/84/58/93/350845893.db2.gz CNZGKGZSWVJLEU-INIZCTEOSA-N 1 1 299.418 2.640 20 30 CFEDMO C[N@H+]1CCCC[C@H]1C(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000602174364 350849208 /nfs/dbraw/zinc/84/92/08/350849208.db2.gz JXXAAEUKVZHIOW-INIZCTEOSA-N 1 1 297.402 2.538 20 30 CFEDMO C[NH+]1CCC(CCNCc2cccc(F)c2C#N)CC1 ZINC000602003232 350828174 /nfs/dbraw/zinc/82/81/74/350828174.db2.gz SFVOIIBVGKLYCP-UHFFFAOYSA-N 1 1 275.371 2.519 20 30 CFEDMO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)CC1CCC1 ZINC000111297710 186392831 /nfs/dbraw/zinc/39/28/31/186392831.db2.gz CYAVBQKVAJTODF-UHFFFAOYSA-N 1 1 291.782 2.882 20 30 CFEDMO CC(C)[N@H+]1CC[C@H](CNCc2cccc(F)c2C#N)C1 ZINC000602005968 350828767 /nfs/dbraw/zinc/82/87/67/350828767.db2.gz IMOWXHOUDVVYIZ-CYBMUJFWSA-N 1 1 275.371 2.517 20 30 CFEDMO CN(CC[N@@H+](C)Cc1cccc(C#N)n1)c1ccccc1 ZINC000602477950 350898883 /nfs/dbraw/zinc/89/88/83/350898883.db2.gz ZBEPZUPWAZBYBX-UHFFFAOYSA-N 1 1 280.375 2.521 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000602482541 350901343 /nfs/dbraw/zinc/90/13/43/350901343.db2.gz CSHQPFWUKJDSBD-RBSFLKMASA-N 1 1 250.386 2.675 20 30 CFEDMO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@H](C)CCC#N ZINC000602487586 350902782 /nfs/dbraw/zinc/90/27/82/350902782.db2.gz UTQBDROTEXRHCS-DOMZBBRYSA-N 1 1 260.385 2.805 20 30 CFEDMO COC(=O)c1ccc2c(c1)C[N@H+](C[C@H](C)CCC#N)CC2 ZINC000602595018 350939887 /nfs/dbraw/zinc/93/98/87/350939887.db2.gz FMGZYBLCBREXOO-CYBMUJFWSA-N 1 1 286.375 2.771 20 30 CFEDMO COc1ccc2c(c1)OCC[C@H]2[NH2+]Cc1cccc(C#N)n1 ZINC000602560277 350924338 /nfs/dbraw/zinc/92/43/38/350924338.db2.gz YXFFCZBSDYUEKU-MRXNPFEDSA-N 1 1 295.342 2.575 20 30 CFEDMO CC(C)[C@H]([NH2+]C[C@H](C)CCC#N)C(=O)OC(C)(C)C ZINC000602573009 350929446 /nfs/dbraw/zinc/92/94/46/350929446.db2.gz WGAAWQHSWSGAGV-OLZOCXBDSA-N 1 1 268.401 2.882 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000602586117 350936422 /nfs/dbraw/zinc/93/64/22/350936422.db2.gz ZMCLBJMMTXPRCJ-DOTOQJQBSA-N 1 1 272.392 2.870 20 30 CFEDMO CCOc1ccc(C#N)cc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000602591801 350937943 /nfs/dbraw/zinc/93/79/43/350937943.db2.gz MXWBJVRTXKBLKV-GXTWGEPZSA-N 1 1 273.380 2.852 20 30 CFEDMO COC(=O)[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H](C)CCC#N ZINC000602425265 350877310 /nfs/dbraw/zinc/87/73/10/350877310.db2.gz OGMAQELAWPLWQE-XJKSGUPXSA-N 1 1 286.375 2.526 20 30 CFEDMO COC(=O)[C@H]1Cc2ccccc2C[N@H+]1C[C@@H](C)CCC#N ZINC000602425265 350877313 /nfs/dbraw/zinc/87/73/13/350877313.db2.gz OGMAQELAWPLWQE-XJKSGUPXSA-N 1 1 286.375 2.526 20 30 CFEDMO C=C(C)C[N@H+](CC)Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000602430362 350878930 /nfs/dbraw/zinc/87/89/30/350878930.db2.gz YXYHJMCIPUJPEP-UHFFFAOYSA-N 1 1 250.342 2.508 20 30 CFEDMO Cc1ccccc1C[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602434728 350881008 /nfs/dbraw/zinc/88/10/08/350881008.db2.gz QYYSHXPJRDMMCW-UHFFFAOYSA-N 1 1 251.333 2.894 20 30 CFEDMO COc1cc(C[N@@H+](C)C[C@H](C)CCC#N)ccc1O ZINC000602437105 350881811 /nfs/dbraw/zinc/88/18/11/350881811.db2.gz UHFLLVSELAAQCK-GFCCVEGCSA-N 1 1 262.353 2.772 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000602438472 350882691 /nfs/dbraw/zinc/88/26/91/350882691.db2.gz JTQWGOCXHKLAIM-AWEZNQCLSA-N 1 1 279.428 2.649 20 30 CFEDMO C[C@@H](CCC#N)CN1CC[NH+](CCc2cccs2)CC1 ZINC000602438235 350882754 /nfs/dbraw/zinc/88/27/54/350882754.db2.gz CPUCWLVTQQJJIV-HNNXBMFYSA-N 1 1 291.464 2.848 20 30 CFEDMO C[C@H](CCC#N)C[NH+]1CCN(CCC(C)(C)C)CC1 ZINC000602450529 350887931 /nfs/dbraw/zinc/88/79/31/350887931.db2.gz XRZKNQKOJAUQLY-OAHLLOKOSA-N 1 1 265.445 2.980 20 30 CFEDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602456823 350889174 /nfs/dbraw/zinc/88/91/74/350889174.db2.gz YXDNUNMGOKCOBK-LSDHHAIUSA-N 1 1 279.428 2.555 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCN(C)c2ccccc2C1 ZINC000602457745 350890546 /nfs/dbraw/zinc/89/05/46/350890546.db2.gz CUPOVJLMRIJWSI-CQSZACIVSA-N 1 1 257.381 2.878 20 30 CFEDMO COc1cc2c(cc1OC)[C@@H]([N@H+](C)[C@@H](C)CC#N)CC2 ZINC000602463915 350891303 /nfs/dbraw/zinc/89/13/03/350891303.db2.gz WSKWWNQALNPJPI-FZMZJTMJSA-N 1 1 274.364 2.925 20 30 CFEDMO COc1cc2c(cc1OC)[C@@H]([N@@H+](C)[C@@H](C)CC#N)CC2 ZINC000602463915 350891305 /nfs/dbraw/zinc/89/13/05/350891305.db2.gz WSKWWNQALNPJPI-FZMZJTMJSA-N 1 1 274.364 2.925 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000602469380 350894087 /nfs/dbraw/zinc/89/40/87/350894087.db2.gz QYMHKSWTYGJGGF-YOEHRIQHSA-N 1 1 272.392 2.908 20 30 CFEDMO C[C@H](CCC#N)C[N@H+](C)CC[C@@H]1CCCCN1C ZINC000602473220 350894900 /nfs/dbraw/zinc/89/49/00/350894900.db2.gz DCIZCYNGPKJIRC-CABCVRRESA-N 1 1 251.418 2.732 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+](C)CC[C@@H]1CCCCN1C ZINC000602473220 350894906 /nfs/dbraw/zinc/89/49/06/350894906.db2.gz DCIZCYNGPKJIRC-CABCVRRESA-N 1 1 251.418 2.732 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000602474845 350896860 /nfs/dbraw/zinc/89/68/60/350896860.db2.gz OBHDVXRLYZGRRW-LSDHHAIUSA-N 1 1 293.455 2.801 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000602475732 350896927 /nfs/dbraw/zinc/89/69/27/350896927.db2.gz JUHTWOOOICRNMO-CHWSQXEVSA-N 1 1 266.385 2.732 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCOC[C@@H]1c1ccccc1 ZINC000602475072 350897501 /nfs/dbraw/zinc/89/75/01/350897501.db2.gz IUODXQDYYOKOHJ-GDBMZVCRSA-N 1 1 258.365 3.000 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+](C)Cc1nc(-c2cccnc2)no1 ZINC000602476049 350897512 /nfs/dbraw/zinc/89/75/12/350897512.db2.gz VHYUXVLCFYQUMT-GFCCVEGCSA-N 1 1 285.351 2.503 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000602641029 350958519 /nfs/dbraw/zinc/95/85/19/350958519.db2.gz OOJACLUJUNOSPT-ZDUSSCGKSA-N 1 1 262.353 2.650 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000602641029 350958521 /nfs/dbraw/zinc/95/85/21/350958521.db2.gz OOJACLUJUNOSPT-ZDUSSCGKSA-N 1 1 262.353 2.650 20 30 CFEDMO C=C(C)C[C@@H]([NH2+]C1CCC2(CCOCC2)CC1)C(=O)OC ZINC000602735361 351007260 /nfs/dbraw/zinc/00/72/60/351007260.db2.gz VWLHSXSRMQRSOT-OAHLLOKOSA-N 1 1 295.423 2.823 20 30 CFEDMO COCC[N@H+](Cc1scnc1C)C[C@H](C)CCC#N ZINC000602642515 350959086 /nfs/dbraw/zinc/95/90/86/350959086.db2.gz YQCHRTFXHDMFJP-GFCCVEGCSA-N 1 1 281.425 2.840 20 30 CFEDMO Cc1noc([C@@H]2CCCC[N@@H+]2C[C@H](C)CCC#N)n1 ZINC000602652747 350961881 /nfs/dbraw/zinc/96/18/81/350961881.db2.gz FPSKRYJUXYHGCJ-YPMHNXCESA-N 1 1 262.357 2.845 20 30 CFEDMO CC[N@H+](CC(=O)N1CCCCCC1)C[C@@H](C)CCC#N ZINC000602652291 350962194 /nfs/dbraw/zinc/96/21/94/350962194.db2.gz CDSYBJQLPMLKRS-HNNXBMFYSA-N 1 1 279.428 2.651 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCOc2cccc(F)c2C1 ZINC000602658060 350963316 /nfs/dbraw/zinc/96/33/16/350963316.db2.gz HZVKXKGCQZCEPY-GFCCVEGCSA-N 1 1 262.328 2.960 20 30 CFEDMO CCOC1CC2(C1)CC[N@@H+](C[C@H](C)CCC#N)C2 ZINC000602657503 350963943 /nfs/dbraw/zinc/96/39/43/350963943.db2.gz YQGFNUREEMEAGX-WLYUNCDWSA-N 1 1 250.386 2.817 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+](CCN(C)C)Cc1ccccc1 ZINC000602658686 350964701 /nfs/dbraw/zinc/96/47/01/350964701.db2.gz HPOQQEAKMHWWAZ-INIZCTEOSA-N 1 1 273.424 2.990 20 30 CFEDMO Cc1noc(C)c1CO[C@@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602661941 350965715 /nfs/dbraw/zinc/96/57/15/350965715.db2.gz JIQZVBZUAQROFE-IUODEOHRSA-N 1 1 291.395 2.822 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000602664211 350966467 /nfs/dbraw/zinc/96/64/67/350966467.db2.gz UVXYGDFFAYOKFH-MXWKQRLJSA-N 1 1 264.291 2.578 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1C[C@@H](C(F)(F)F)OC[C@H]1C ZINC000602664211 350966469 /nfs/dbraw/zinc/96/64/69/350966469.db2.gz UVXYGDFFAYOKFH-MXWKQRLJSA-N 1 1 264.291 2.578 20 30 CFEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cccc(F)c2C#N)C1 ZINC000602666734 350967443 /nfs/dbraw/zinc/96/74/43/350967443.db2.gz OOFALHFTTKTZIA-PBHICJAKSA-N 1 1 287.382 2.613 20 30 CFEDMO COC1(c2ccccc2)C[NH+](C[C@H](C)CCC#N)C1 ZINC000602667800 350969038 /nfs/dbraw/zinc/96/90/38/350969038.db2.gz SZWSTZWOGQPXQI-CQSZACIVSA-N 1 1 258.365 2.784 20 30 CFEDMO C[C@@H](CCC#N)C[N@@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000602675207 350972718 /nfs/dbraw/zinc/97/27/18/350972718.db2.gz ZEGGZYUBVAXOOT-QWRGUYRKSA-N 1 1 278.318 2.968 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1C[C@@H](C(F)(F)F)OC(C)(C)C1 ZINC000602675207 350972721 /nfs/dbraw/zinc/97/27/21/350972721.db2.gz ZEGGZYUBVAXOOT-QWRGUYRKSA-N 1 1 278.318 2.968 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000602675308 350972767 /nfs/dbraw/zinc/97/27/67/350972767.db2.gz LYRBJERTNXTKQQ-KBUPBQIOSA-N 1 1 250.386 2.552 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000602685712 350978516 /nfs/dbraw/zinc/97/85/16/350978516.db2.gz KDVHWJHIPRZCRR-GFCCVEGCSA-N 1 1 291.361 2.885 20 30 CFEDMO C[C@@H](CCC#N)CN1CC([N@H+](C)Cc2ccccc2)C1 ZINC000602690543 350980905 /nfs/dbraw/zinc/98/09/05/350980905.db2.gz NXNFQFVWRJVNMO-HNNXBMFYSA-N 1 1 271.408 2.742 20 30 CFEDMO C[C@@H](CCC#N)CN1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000602690543 350980910 /nfs/dbraw/zinc/98/09/10/350980910.db2.gz NXNFQFVWRJVNMO-HNNXBMFYSA-N 1 1 271.408 2.742 20 30 CFEDMO Cc1ncc([C@@H](C)[NH2+]CC2(C#N)CCCC2)c(C)n1 ZINC000602697552 350984478 /nfs/dbraw/zinc/98/44/78/350984478.db2.gz AZRPCCHGYOMWCL-LLVKDONJSA-N 1 1 258.369 2.828 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCNC(=O)[C@@H]1CC1CCCCC1 ZINC000602697673 350984684 /nfs/dbraw/zinc/98/46/84/350984684.db2.gz KZRCONKIYOMCPG-ZBFHGGJFSA-N 1 1 291.439 2.697 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000602703608 350988248 /nfs/dbraw/zinc/98/82/48/350988248.db2.gz RBNPBNAHYFOVOU-KBPBESRZSA-N 1 1 250.386 2.960 20 30 CFEDMO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC(=C)C)C(=O)OC)C1 ZINC000602738432 351009204 /nfs/dbraw/zinc/00/92/04/351009204.db2.gz KNRYPBINHCUVGR-RDBSUJKOSA-N 1 1 251.370 2.829 20 30 CFEDMO C=C(C)C[C@H]([NH2+][C@H](C)C1CC(F)(F)C1)C(=O)OC ZINC000602737991 351009414 /nfs/dbraw/zinc/00/94/14/351009414.db2.gz FGXJDEXZHPNLQK-KOLCDFICSA-N 1 1 261.312 2.518 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000602717094 350997100 /nfs/dbraw/zinc/99/71/00/350997100.db2.gz LMCMBSRUVDNVRU-MNOVXSKESA-N 1 1 264.291 2.579 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CCO[C@@H](CC(F)(F)F)C1 ZINC000602717094 350997104 /nfs/dbraw/zinc/99/71/04/350997104.db2.gz LMCMBSRUVDNVRU-MNOVXSKESA-N 1 1 264.291 2.579 20 30 CFEDMO COC(=O)[C@@H]1C[N@@H+](C[C@@H](C)CCC#N)Cc2ccccc21 ZINC000602729375 351003403 /nfs/dbraw/zinc/00/34/03/351003403.db2.gz JKFJAODBPFBLAU-XJKSGUPXSA-N 1 1 286.375 2.699 20 30 CFEDMO N#CCc1cccc2c1CC[N@@H+](CCC[C@@H]1CCO1)C2 ZINC000602730610 351004177 /nfs/dbraw/zinc/00/41/77/351004177.db2.gz RQHHMGWFQRKEIQ-MRXNPFEDSA-N 1 1 270.376 2.680 20 30 CFEDMO COCC[N@@H+](Cc1cccc(C#N)n1)[C@@H]1CC[C@@H](C)C1 ZINC000602631124 350953350 /nfs/dbraw/zinc/95/33/50/350953350.db2.gz OYVKTWWRZLOCHM-CZUORRHYSA-N 1 1 273.380 2.590 20 30 CFEDMO CCC1CCC([N@@H+](CCO)Cc2cccc(C#N)n2)CC1 ZINC000602633340 350954467 /nfs/dbraw/zinc/95/44/67/350954467.db2.gz HSKLDGBPROYDSF-UHFFFAOYSA-N 1 1 287.407 2.716 20 30 CFEDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC2(CC#N)CC2)C1 ZINC000602767287 351017820 /nfs/dbraw/zinc/01/78/20/351017820.db2.gz CXSFLVUWNCVBNA-LSDHHAIUSA-N 1 1 291.439 2.697 20 30 CFEDMO N#Cc1ccc(C[N@H+](Cc2cc[nH]c(=O)c2)C2CC2)cc1 ZINC000602766800 351018475 /nfs/dbraw/zinc/01/84/75/351018475.db2.gz CFZOEAXSABVZTP-UHFFFAOYSA-N 1 1 279.343 2.823 20 30 CFEDMO CCCO[C@H]1CCC[N@@H+](CC2(CC#N)CC2)CC1 ZINC000602774807 351020178 /nfs/dbraw/zinc/02/01/78/351020178.db2.gz BOFVNALZOSDDBB-AWEZNQCLSA-N 1 1 250.386 2.961 20 30 CFEDMO CCc1cnc(N2CC[NH+](CC3(CC#N)CC3)CC2)s1 ZINC000602778080 351021746 /nfs/dbraw/zinc/02/17/46/351021746.db2.gz BDDQZKODEOLJGV-UHFFFAOYSA-N 1 1 290.436 2.521 20 30 CFEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602779675 351022190 /nfs/dbraw/zinc/02/21/90/351022190.db2.gz MKDNBUQKEOKZMU-KRWDZBQOSA-N 1 1 283.419 2.887 20 30 CFEDMO CN(Cc1ccccc1)[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602779675 351022195 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XWVYARXQXCPXCI-ZIAGYGMSSA-N 1 1 297.406 2.738 20 30 CFEDMO C=CC[N@@H+](CCOC)Cc1cncc(Br)c1C ZINC000668054781 541375975 /nfs/dbraw/zinc/37/59/75/541375975.db2.gz GMKJSGSYZXKJPW-UHFFFAOYSA-N 1 1 299.212 2.787 20 30 CFEDMO C=CC[N@H+](CCOC)Cc1cncc(Br)c1C ZINC000668054781 541375980 /nfs/dbraw/zinc/37/59/80/541375980.db2.gz GMKJSGSYZXKJPW-UHFFFAOYSA-N 1 1 299.212 2.787 20 30 CFEDMO C=CCCn1cc(C[N@H+](CCC)CCc2ccccn2)nn1 ZINC000668157829 541389482 /nfs/dbraw/zinc/38/94/82/541389482.db2.gz CIEGAGNCTHVDRN-UHFFFAOYSA-N 1 1 299.422 2.704 20 30 CFEDMO C=CCCn1cc(C[N@@H+](CCC)CCc2ccccn2)nn1 ZINC000668157829 541389488 /nfs/dbraw/zinc/38/94/88/541389488.db2.gz CIEGAGNCTHVDRN-UHFFFAOYSA-N 1 1 299.422 2.704 20 30 CFEDMO C=CC[C@H](C(=O)N1CCC[N@H+](CC)CC1)c1ccccc1 ZINC000275396799 193021376 /nfs/dbraw/zinc/02/13/76/193021376.db2.gz XZVNWDHRGYIBTB-KRWDZBQOSA-N 1 1 286.419 2.901 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1nc2c([nH]1)CCCC2 ZINC000275517546 193064906 /nfs/dbraw/zinc/06/49/06/193064906.db2.gz BGUCFUFQMFMSOS-CZUORRHYSA-N 1 1 289.423 2.753 20 30 CFEDMO COc1cc(C[N@@H+](C)Cc2cccn2C)ccc1C#N ZINC000442888255 241016572 /nfs/dbraw/zinc/01/65/72/241016572.db2.gz FVGJCMWNVWEAIY-UHFFFAOYSA-N 1 1 269.348 2.537 20 30 CFEDMO C[C@@H]1C[C@H](C)CC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000443644663 241083030 /nfs/dbraw/zinc/08/30/30/241083030.db2.gz YYSCPQXYNNYCHL-ZIAGYGMSSA-N 1 1 285.391 2.865 20 30 CFEDMO Cc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1C#N ZINC000443963454 241098370 /nfs/dbraw/zinc/09/83/70/241098370.db2.gz IJBGEKVKBSRZBJ-IRXDYDNUSA-N 1 1 269.392 2.583 20 30 CFEDMO CCCC[N@H+](C)CCNCc1ccc(C#N)c(C)c1 ZINC000443983198 241099597 /nfs/dbraw/zinc/09/95/97/241099597.db2.gz CYUIRMVMRIAJDI-UHFFFAOYSA-N 1 1 259.397 2.688 20 30 CFEDMO CCCC[N@@H+](C)CCNCc1ccc(C#N)c(C)c1 ZINC000443983198 241099601 /nfs/dbraw/zinc/09/96/01/241099601.db2.gz CYUIRMVMRIAJDI-UHFFFAOYSA-N 1 1 259.397 2.688 20 30 CFEDMO Cc1cc(C[NH2+]C2CCN(C3CCC3)CC2)ccc1C#N ZINC000443981245 241100850 /nfs/dbraw/zinc/10/08/50/241100850.db2.gz RLGLNAKCMKNBTA-UHFFFAOYSA-N 1 1 283.419 2.973 20 30 CFEDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(F)c(C#N)c1 ZINC000443318361 241051174 /nfs/dbraw/zinc/05/11/74/241051174.db2.gz JPFPMDIJXNFNKI-XHBSWPGZSA-N 1 1 276.355 2.679 20 30 CFEDMO CC(=O)c1ccc(C#N)c(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000443426354 241061782 /nfs/dbraw/zinc/06/17/82/241061782.db2.gz CWAYWRUGIOELND-JKSUJKDBSA-N 1 1 283.375 2.800 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000446844778 241331257 /nfs/dbraw/zinc/33/12/57/241331257.db2.gz JBNJSWMMVPKTHM-KRWDZBQOSA-N 1 1 296.370 2.732 20 30 CFEDMO COc1ccc(C#N)cc1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000446844778 241331263 /nfs/dbraw/zinc/33/12/63/241331263.db2.gz JBNJSWMMVPKTHM-KRWDZBQOSA-N 1 1 296.370 2.732 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)cc1)[C@H](CO)CC(C)(C)C ZINC000449583719 242047826 /nfs/dbraw/zinc/04/78/26/242047826.db2.gz IMNJBRZTZCJAKY-HNNXBMFYSA-N 1 1 260.381 2.787 20 30 CFEDMO C[N@@H+](Cc1ccc(C#N)s1)[C@H](CO)CC(C)(C)C ZINC000449582089 242048055 /nfs/dbraw/zinc/04/80/55/242048055.db2.gz DNHOCQSSYBLDGW-NSHDSACASA-N 1 1 266.410 2.849 20 30 CFEDMO C[N@@H+](Cc1cccc(C#N)c1)[C@@H](CO)CC(C)(C)C ZINC000449593084 242055449 /nfs/dbraw/zinc/05/54/49/242055449.db2.gz ZIWNHMOUMIGSKM-OAHLLOKOSA-N 1 1 260.381 2.787 20 30 CFEDMO CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2C#N)C12CCC2 ZINC000449627530 242075763 /nfs/dbraw/zinc/07/57/63/242075763.db2.gz ACKMVNPMVPRRGY-CVEARBPZSA-N 1 1 270.376 2.948 20 30 CFEDMO N#Cc1ccc2ncc(C[N@H+]3C[C@@H](C4CC4)[C@@H]3C3CC3)n2c1 ZINC000449533312 242008910 /nfs/dbraw/zinc/00/89/10/242008910.db2.gz FHPXMGBEPKYRHY-WMZOPIPTSA-N 1 1 292.386 2.826 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(F)c1 ZINC000449551077 242021447 /nfs/dbraw/zinc/02/14/47/242021447.db2.gz FQAGLTUXMQEZHE-YCPHGPKFSA-N 1 1 288.366 2.680 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000449551697 242021873 /nfs/dbraw/zinc/02/18/73/242021873.db2.gz HBZQHKSLELZUNK-COXVUDFISA-N 1 1 270.376 2.541 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449551698 242022324 /nfs/dbraw/zinc/02/23/24/242022324.db2.gz HBZQHKSLELZUNK-KBRIMQKVSA-N 1 1 270.376 2.541 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1 ZINC000449553422 242024468 /nfs/dbraw/zinc/02/44/68/242024468.db2.gz LQIQKLKCVARELO-IXDOHACOSA-N 1 1 270.376 2.541 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1 ZINC000449553421 242024824 /nfs/dbraw/zinc/02/48/24/242024824.db2.gz LQIQKLKCVARELO-IKGGRYGDSA-N 1 1 270.376 2.541 20 30 CFEDMO CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000449563684 242034694 /nfs/dbraw/zinc/03/46/94/242034694.db2.gz XSGRLSXAJNIZRL-CYBMUJFWSA-N 1 1 268.364 2.934 20 30 CFEDMO CC[N@@H+](CCNc1cccc(C#N)c1[N+](=O)[O-])C(C)C ZINC000450300393 242347307 /nfs/dbraw/zinc/34/73/07/242347307.db2.gz CRJFFZNEONCBMK-UHFFFAOYSA-N 1 1 276.340 2.609 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275964187 193174399 /nfs/dbraw/zinc/17/43/99/193174399.db2.gz BUHWBCPEGIPVRX-FUHWJXTLSA-N 1 1 286.419 2.979 20 30 CFEDMO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1C#N ZINC000452035823 243018219 /nfs/dbraw/zinc/01/82/19/243018219.db2.gz HPDONBIPEWQIOX-HNNXBMFYSA-N 1 1 262.328 2.698 20 30 CFEDMO COC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1C#N ZINC000452035823 243018223 /nfs/dbraw/zinc/01/82/23/243018223.db2.gz HPDONBIPEWQIOX-HNNXBMFYSA-N 1 1 262.328 2.698 20 30 CFEDMO CC[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000451973665 243002218 /nfs/dbraw/zinc/00/22/18/243002218.db2.gz XOIVMLFZRHBJJB-LSDHHAIUSA-N 1 1 299.418 2.685 20 30 CFEDMO C[N@H+](CC#Cc1ccccc1)Cc1ccc2c(c1)OCCO2 ZINC000574220825 335002379 /nfs/dbraw/zinc/00/23/79/335002379.db2.gz PHWDOKSRZMHWSH-UHFFFAOYSA-N 1 1 293.366 2.941 20 30 CFEDMO C[N@@H+](CC#Cc1ccccc1)Cc1ccc2c(c1)OCCO2 ZINC000574220825 335002380 /nfs/dbraw/zinc/00/23/80/335002380.db2.gz PHWDOKSRZMHWSH-UHFFFAOYSA-N 1 1 293.366 2.941 20 30 CFEDMO Cc1[nH+]ccn1CCCNC(=O)Nc1cc(C)cc(C#N)c1 ZINC000456014344 244049522 /nfs/dbraw/zinc/04/95/22/244049522.db2.gz XZNIWIHPNXRWSQ-UHFFFAOYSA-N 1 1 297.362 2.583 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)C[C@H]1CCCC[C@@H]1O ZINC000574330422 335011058 /nfs/dbraw/zinc/01/10/58/335011058.db2.gz VPCUARNUPFIBAE-ZBFHGGJFSA-N 1 1 263.381 2.861 20 30 CFEDMO C=CCC[N@H+](C)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000276079311 193207593 /nfs/dbraw/zinc/20/75/93/193207593.db2.gz AULFGHFKMJWBOP-LBPRGKRZSA-N 1 1 278.421 2.529 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000276084083 193209179 /nfs/dbraw/zinc/20/91/79/193209179.db2.gz BEAYMMQSCNKAAU-GFCCVEGCSA-N 1 1 280.799 2.853 20 30 CFEDMO C=CCC[N@@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000276335377 193290347 /nfs/dbraw/zinc/29/03/47/193290347.db2.gz BSQPELBGXYNKCV-UHFFFAOYSA-N 1 1 288.307 2.653 20 30 CFEDMO C=CCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000276335377 193290348 /nfs/dbraw/zinc/29/03/48/193290348.db2.gz BSQPELBGXYNKCV-UHFFFAOYSA-N 1 1 288.307 2.653 20 30 CFEDMO C=CCC[N@H+](C)CCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000276332825 193291171 /nfs/dbraw/zinc/29/11/71/193291171.db2.gz BLKUNCORMQLUJP-UHFFFAOYSA-N 1 1 274.364 2.726 20 30 CFEDMO C=CC[N@H+](CCc1ccnn1C)Cc1cccc(C#N)c1 ZINC000276333049 193291562 /nfs/dbraw/zinc/29/15/62/193291562.db2.gz RKFBIWXZKSMEEK-UHFFFAOYSA-N 1 1 280.375 2.522 20 30 CFEDMO C=CCC[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000276383347 193309070 /nfs/dbraw/zinc/30/90/70/193309070.db2.gz IMQSUONKUCODGC-UHFFFAOYSA-N 1 1 297.742 2.695 20 30 CFEDMO C#CC[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C1CC1 ZINC000276316019 193285215 /nfs/dbraw/zinc/28/52/15/193285215.db2.gz WFUDKPHMJFMCGI-UHFFFAOYSA-N 1 1 283.350 2.668 20 30 CFEDMO C#CC[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)C1CC1 ZINC000276316019 193285217 /nfs/dbraw/zinc/28/52/17/193285217.db2.gz WFUDKPHMJFMCGI-UHFFFAOYSA-N 1 1 283.350 2.668 20 30 CFEDMO C=CCC[N@H+](C)C[C@H](O)COc1cc(C)cc(C)c1 ZINC000276417773 193322788 /nfs/dbraw/zinc/32/27/88/193322788.db2.gz MHXRDCCPYXVREJ-HNNXBMFYSA-N 1 1 263.381 2.551 20 30 CFEDMO C=CCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000276478111 193347652 /nfs/dbraw/zinc/34/76/52/193347652.db2.gz SOOGKLJWHJRKRH-UHFFFAOYSA-N 1 1 295.314 2.570 20 30 CFEDMO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccc(Br)s1 ZINC000677047519 541813668 /nfs/dbraw/zinc/81/36/68/541813668.db2.gz DAQNHZXRYNVPCH-SNVBAGLBSA-N 1 1 290.226 2.879 20 30 CFEDMO CCC#C[C@@H](C)[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000677048474 541813879 /nfs/dbraw/zinc/81/38/79/541813879.db2.gz YSJHQOSIGKRLRW-CVEARBPZSA-N 1 1 271.408 2.562 20 30 CFEDMO CCC#C[C@@H](C)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000677048474 541813882 /nfs/dbraw/zinc/81/38/82/541813882.db2.gz YSJHQOSIGKRLRW-CVEARBPZSA-N 1 1 271.408 2.562 20 30 CFEDMO C[N@@H+](CCn1cc(Cl)cn1)Cc1ccc(C#N)cc1 ZINC000459305602 245130021 /nfs/dbraw/zinc/13/00/21/245130021.db2.gz ZVRMKXWPMBOGKX-UHFFFAOYSA-N 1 1 274.755 2.540 20 30 CFEDMO CCn1nncc1C[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000459317421 245136077 /nfs/dbraw/zinc/13/60/77/245136077.db2.gz AZSNCTSDRPRTHM-UHFFFAOYSA-N 1 1 297.406 2.828 20 30 CFEDMO CCn1nncc1C[N@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000459317421 245136083 /nfs/dbraw/zinc/13/60/83/245136083.db2.gz AZSNCTSDRPRTHM-UHFFFAOYSA-N 1 1 297.406 2.828 20 30 CFEDMO COCC#CC[N@@H+](C)Cc1ccccc1C(F)(F)F ZINC000677132545 541825959 /nfs/dbraw/zinc/82/59/59/541825959.db2.gz DEUSGOGZRFXOLD-UHFFFAOYSA-N 1 1 271.282 2.787 20 30 CFEDMO COc1ccc(C[N@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)cc1C#N ZINC000459669862 245266733 /nfs/dbraw/zinc/26/67/33/245266733.db2.gz JMPYRNIVJSZEPJ-HOTGVXAUSA-N 1 1 298.386 2.568 20 30 CFEDMO CC[N@H+]1CCN(CC#Cc2ccccc2Cl)C[C@H]1C ZINC000677191445 541834061 /nfs/dbraw/zinc/83/40/61/541834061.db2.gz GQAVRZJIIVARCG-CQSZACIVSA-N 1 1 276.811 2.718 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccn(C)n1 ZINC000459797067 245331732 /nfs/dbraw/zinc/33/17/32/245331732.db2.gz RWRMUEUHGIBBSP-NWDGAFQWSA-N 1 1 254.337 2.704 20 30 CFEDMO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ncc(C#N)cn1 ZINC000331925392 204301186 /nfs/dbraw/zinc/30/11/86/204301186.db2.gz HXFVGHTVNBMXAM-KWCYVHTRSA-N 1 1 256.353 2.501 20 30 CFEDMO COCC#CC[N@@H+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000677477373 541864396 /nfs/dbraw/zinc/86/43/96/541864396.db2.gz FBYVPVIVJMDFIJ-OAHLLOKOSA-N 1 1 257.377 2.937 20 30 CFEDMO CCC#C[C@H](C)[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000677479808 541865855 /nfs/dbraw/zinc/86/58/55/541865855.db2.gz RTGSQVMPXSZOIX-JKSUJKDBSA-N 1 1 299.418 2.842 20 30 CFEDMO CCO[C@H]1C[C@H]([N@@H+](C)CC#CCOC)C12CCCCC2 ZINC000677480907 541865872 /nfs/dbraw/zinc/86/58/72/541865872.db2.gz XHBVJRUADTXOMQ-HOTGVXAUSA-N 1 1 279.424 2.696 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCCNCc1cccc(C#N)c1 ZINC000019912993 372207546 /nfs/dbraw/zinc/20/75/46/372207546.db2.gz YBPODDDOUXDHIS-HNNXBMFYSA-N 1 1 271.408 2.912 20 30 CFEDMO C=CCOc1ccc(CNCC(C)(C)C[NH+](C)C)cc1 ZINC000020087847 372227093 /nfs/dbraw/zinc/22/70/93/372227093.db2.gz LLGNQIAQGIDBRQ-UHFFFAOYSA-N 1 1 276.424 2.929 20 30 CFEDMO CCCC[N@@H+](CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000019846837 372200116 /nfs/dbraw/zinc/20/01/16/372200116.db2.gz ZMUBSSDRBSERIM-UHFFFAOYSA-N 1 1 259.353 2.619 20 30 CFEDMO Cc1ccc(C[N@@H+](C)CCOc2ccc(C#N)cc2)o1 ZINC000035122343 372541302 /nfs/dbraw/zinc/54/13/02/372541302.db2.gz ZAPUVSYFCAAKOQ-UHFFFAOYSA-N 1 1 270.332 2.971 20 30 CFEDMO CCC[N@@H+](CC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000037095040 372649538 /nfs/dbraw/zinc/64/95/38/372649538.db2.gz GYXCVENLQZUKNY-GFCCVEGCSA-N 1 1 259.353 2.617 20 30 CFEDMO C[C@H](NCC(C)(C)C[NH+](C)C)c1ccc(OCC#N)cc1 ZINC000037197118 372662847 /nfs/dbraw/zinc/66/28/47/372662847.db2.gz HHCIFORRAQZHKE-AWEZNQCLSA-N 1 1 289.423 2.827 20 30 CFEDMO C[C@H]([NH2+]CC(C)(C)CN(C)C)c1ccc(OCC#N)cc1 ZINC000037197118 372662852 /nfs/dbraw/zinc/66/28/52/372662852.db2.gz HHCIFORRAQZHKE-AWEZNQCLSA-N 1 1 289.423 2.827 20 30 CFEDMO C[N@H+]1CCCN(c2ccc(C(F)(F)F)cc2C#N)CC1 ZINC000037333988 372665136 /nfs/dbraw/zinc/66/51/36/372665136.db2.gz NQXOJVCGXFETGE-UHFFFAOYSA-N 1 1 283.297 2.719 20 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C=CC[C@H](C)NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000116937389 376217997 /nfs/dbraw/zinc/21/79/97/376217997.db2.gz FFRSTMGAKZZRSN-HNNXBMFYSA-N 1 1 289.423 2.772 20 30 CFEDMO COc1cccc([C@H]2C[N@H+](CCCCC#N)CCO2)c1 ZINC000119107342 376356169 /nfs/dbraw/zinc/35/61/69/376356169.db2.gz HKNMDEPRFJESCH-MRXNPFEDSA-N 1 1 274.364 2.762 20 30 CFEDMO COc1cccc([C@H]2C[N@@H+](CCCCC#N)CCO2)c1 ZINC000119107342 376356173 /nfs/dbraw/zinc/35/61/73/376356173.db2.gz HKNMDEPRFJESCH-MRXNPFEDSA-N 1 1 274.364 2.762 20 30 CFEDMO CC(C)(C#N)CCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000119687724 376451909 /nfs/dbraw/zinc/45/19/09/376451909.db2.gz OSLIINVMQAOWPN-HNNXBMFYSA-N 1 1 263.429 2.734 20 30 CFEDMO Cc1[nH+]ccn1CCCN(C)c1ccc(F)cc1C#N ZINC000120214100 376570698 /nfs/dbraw/zinc/57/06/98/376570698.db2.gz CNUIFXAEVBUWGF-UHFFFAOYSA-N 1 1 272.327 2.729 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000120653901 376660845 /nfs/dbraw/zinc/66/08/45/376660845.db2.gz SIYQEEBTOAOTJQ-HZSPNIEDSA-N 1 1 252.402 2.672 20 30 CFEDMO CCC[N@H+]1CCCN(Cc2ccc(F)c(C#N)c2)CC1 ZINC000120809458 376696489 /nfs/dbraw/zinc/69/64/89/376696489.db2.gz JNVQQVLSANOQMH-UHFFFAOYSA-N 1 1 275.371 2.615 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000121261690 376793771 /nfs/dbraw/zinc/79/37/71/376793771.db2.gz TYRCAKKAPMZRRS-AWEZNQCLSA-N 1 1 297.402 2.564 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+](CC)Cc1cccc(F)c1 ZINC000121322123 376806230 /nfs/dbraw/zinc/80/62/30/376806230.db2.gz WAIBOURUGMLHBS-OAHLLOKOSA-N 1 1 251.345 2.975 20 30 CFEDMO CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000121451531 376835232 /nfs/dbraw/zinc/83/52/32/376835232.db2.gz RDDVGXRPCSNIFB-CXAGYDPISA-N 1 1 289.398 2.859 20 30 CFEDMO CCN1CC[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000121451531 376835266 /nfs/dbraw/zinc/83/52/66/376835266.db2.gz RDDVGXRPCSNIFB-CXAGYDPISA-N 1 1 289.398 2.859 20 30 CFEDMO CCN1CC[C@@H]([N@@H+](C)Cc2ccc(F)c(C#N)c2)[C@H](C)C1 ZINC000121451531 376835274 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CC[C@](C)(C#N)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000126989587 377258483 /nfs/dbraw/zinc/25/84/83/377258483.db2.gz RGBNAIFTOKFWHD-SJLPKXTDSA-N 1 1 299.418 2.707 20 30 CFEDMO N#Cc1cccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000125953570 377203613 /nfs/dbraw/zinc/20/36/13/377203613.db2.gz KQHAJEYNLBYFLL-QWHCGFSZSA-N 1 1 286.335 2.505 20 30 CFEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)NCc1ccccc1C ZINC000125938288 377203884 /nfs/dbraw/zinc/20/38/84/377203884.db2.gz JBVWEQKZRQNRCT-OAHLLOKOSA-N 1 1 274.408 2.898 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000128041757 377314396 /nfs/dbraw/zinc/31/43/96/377314396.db2.gz ABQUVTSZHZBMFA-HNNXBMFYSA-N 1 1 261.365 2.862 20 30 CFEDMO C[N@H+]1CCC[C@H]2CN(c3c(F)cc(C#N)cc3F)CC[C@@H]21 ZINC000127461262 377284736 /nfs/dbraw/zinc/28/47/36/377284736.db2.gz GFOUVUCFCALXDL-WFASDCNBSA-N 1 1 291.345 2.757 20 30 CFEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000127775074 377302097 /nfs/dbraw/zinc/30/20/97/377302097.db2.gz 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C=CCC[N@H+](CC)CC(=O)Nc1cccc(OC)c1 ZINC000132339529 377829789 /nfs/dbraw/zinc/82/97/89/377829789.db2.gz BTUWNRQGCMWBPC-UHFFFAOYSA-N 1 1 262.353 2.532 20 30 CFEDMO CC[C@H](C)N(C)CCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000264297516 383723181 /nfs/dbraw/zinc/72/31/81/383723181.db2.gz QWZOTTBXMIQAID-AWEZNQCLSA-N 1 1 276.428 2.760 20 30 CFEDMO C[C@H]1C[C@H](Nc2ncc(C#N)cc2Cl)C[N@H+]1C1CC1 ZINC000133513676 377935584 /nfs/dbraw/zinc/93/55/84/377935584.db2.gz WPHBHQLMPKZEJY-ONGXEEELSA-N 1 1 276.771 2.644 20 30 CFEDMO C[C@H]1C[C@H](Nc2ccc(Cl)c(C#N)n2)C[N@H+]1C1CC1 ZINC000133557764 377939733 /nfs/dbraw/zinc/93/97/33/377939733.db2.gz AAEQJJXSFKQDJJ-UWVGGRQHSA-N 1 1 276.771 2.644 20 30 CFEDMO CC(C)C(N)=[NH+]O[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000133648182 377946599 /nfs/dbraw/zinc/94/65/99/377946599.db2.gz UGIJHNPAUWMXBA-SECBINFHSA-N 1 1 253.346 2.978 20 30 CFEDMO Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(C#N)cc1C ZINC000134102211 377983548 /nfs/dbraw/zinc/98/35/48/377983548.db2.gz CVHNWQYCQUZAHJ-UHFFFAOYSA-N 1 1 296.374 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ZINC000335580029 379548296 /nfs/dbraw/zinc/54/82/96/379548296.db2.gz LKJYKQXEQRXJNE-HNNXBMFYSA-N 1 1 292.329 2.977 20 30 CFEDMO N#Cc1cccc([C@@H]2C[N@@H+](CC3CC(F)(F)C3)CCO2)c1 ZINC000335580029 379548304 /nfs/dbraw/zinc/54/83/04/379548304.db2.gz LKJYKQXEQRXJNE-HNNXBMFYSA-N 1 1 292.329 2.977 20 30 CFEDMO C=C1CC[NH+](CC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000264435967 383739207 /nfs/dbraw/zinc/73/92/07/383739207.db2.gz DREWNBZIPUDQMM-AWEZNQCLSA-N 1 1 258.365 2.516 20 30 CFEDMO CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccc(C#N)cc1 ZINC000172839399 379656321 /nfs/dbraw/zinc/65/63/21/379656321.db2.gz WVHDXQLPGGSSPE-INIZCTEOSA-N 1 1 285.391 2.505 20 30 CFEDMO Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1C#N ZINC000335674228 379700483 /nfs/dbraw/zinc/70/04/83/379700483.db2.gz XHIIGHPTOWMGOA-WMLDXEAASA-N 1 1 271.408 2.639 20 30 CFEDMO Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1C#N ZINC000335674228 379700494 /nfs/dbraw/zinc/70/04/94/379700494.db2.gz XHIIGHPTOWMGOA-WMLDXEAASA-N 1 1 271.408 2.639 20 30 CFEDMO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1C#N ZINC000335674228 379700505 /nfs/dbraw/zinc/70/05/05/379700505.db2.gz XHIIGHPTOWMGOA-WMLDXEAASA-N 1 1 271.408 2.639 20 30 CFEDMO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1C#N ZINC000335674228 379700510 /nfs/dbraw/zinc/70/05/10/379700510.db2.gz XHIIGHPTOWMGOA-WMLDXEAASA-N 1 1 271.408 2.639 20 30 CFEDMO COc1cc(C#N)ccc1OCC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172967745 379678383 /nfs/dbraw/zinc/67/83/83/379678383.db2.gz DFUXDTKPPHWRAF-OKILXGFUSA-N 1 1 286.375 2.533 20 30 CFEDMO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c(C#N)c1C ZINC000335695835 379737351 /nfs/dbraw/zinc/73/73/51/379737351.db2.gz QVWBKHHLYWMRPR-JSGCOSHPSA-N 1 1 287.363 2.581 20 30 CFEDMO Cc1oc(NC(=O)C[N@H+]2CC[C@@H]3CCC[C@@H]32)c(C#N)c1C ZINC000335695835 379737352 /nfs/dbraw/zinc/73/73/52/379737352.db2.gz QVWBKHHLYWMRPR-JSGCOSHPSA-N 1 1 287.363 2.581 20 30 CFEDMO CCO[C@H]1C[C@@H]([N@@H+](C)CCCSCC#N)C1(C)C ZINC000173898437 379795678 /nfs/dbraw/zinc/79/56/78/379795678.db2.gz NTDNWPLICLMWEZ-OLZOCXBDSA-N 1 1 270.442 2.769 20 30 CFEDMO CC(C)[N@H+]1CC[C@@H](Nc2snc(Cl)c2C#N)C1 ZINC000173975769 379809895 /nfs/dbraw/zinc/80/98/95/379809895.db2.gz RXYMFPAKMJSGEX-MRVPVSSYSA-N 1 1 270.789 2.563 20 30 CFEDMO CO[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C[C@H]1C ZINC000334687623 379768101 /nfs/dbraw/zinc/76/81/01/379768101.db2.gz BZLYOEGRZOGEFI-ABAIWWIYSA-N 1 1 262.328 2.554 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1F ZINC000335744039 379817850 /nfs/dbraw/zinc/81/78/50/379817850.db2.gz DJPNRZSJYWGVHS-ZBFHGGJFSA-N 1 1 274.339 2.698 20 30 CFEDMO Cn1cc(C[N@@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1C#N ZINC000335749996 379828283 /nfs/dbraw/zinc/82/82/83/379828283.db2.gz ZTDGWZDRHMTBJZ-UHFFFAOYSA-N 1 1 293.370 2.650 20 30 CFEDMO Cn1cc(C[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)cc1C#N ZINC000335749996 379828286 /nfs/dbraw/zinc/82/82/86/379828286.db2.gz ZTDGWZDRHMTBJZ-UHFFFAOYSA-N 1 1 293.370 2.650 20 30 CFEDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(C)(C)C#N)C1 ZINC000335794339 379899560 /nfs/dbraw/zinc/89/95/60/379899560.db2.gz DJRXGJIXAIEEPV-LSDHHAIUSA-N 1 1 263.429 2.875 20 30 CFEDMO C=CCC1(C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CCCC1 ZINC000335106580 379975408 /nfs/dbraw/zinc/97/54/08/379975408.db2.gz AHXZDPNLZHTFLX-LSDHHAIUSA-N 1 1 276.424 2.676 20 30 CFEDMO N#C[C@H]1CCC[C@@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000335020270 379957605 /nfs/dbraw/zinc/95/76/05/379957605.db2.gz HFMLFHKSGMDLOY-NGHVJFNESA-N 1 1 287.451 2.812 20 30 CFEDMO COc1ccc2c(c1)CC[N@H+](Cc1cc(C#N)n(C)c1)CC2 ZINC000335860218 380010113 /nfs/dbraw/zinc/01/01/13/380010113.db2.gz RETLIQOSWSOPOP-UHFFFAOYSA-N 1 1 295.386 2.506 20 30 CFEDMO N#Cc1csc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)c1 ZINC000335247000 380076129 /nfs/dbraw/zinc/07/61/29/380076129.db2.gz UEMOOQUXYCVLMT-GDBMZVCRSA-N 1 1 284.384 2.928 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000336006464 380228054 /nfs/dbraw/zinc/22/80/54/380228054.db2.gz RMBVMMKNUNCVBA-OAHLLOKOSA-N 1 1 286.766 2.855 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)c1 ZINC000336006464 380228055 /nfs/dbraw/zinc/22/80/55/380228055.db2.gz RMBVMMKNUNCVBA-OAHLLOKOSA-N 1 1 286.766 2.855 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000336012608 380237195 /nfs/dbraw/zinc/23/71/95/380237195.db2.gz LIIBQYGXKCOONT-GFCCVEGCSA-N 1 1 284.281 2.534 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000336012608 380237199 /nfs/dbraw/zinc/23/71/99/380237199.db2.gz LIIBQYGXKCOONT-GFCCVEGCSA-N 1 1 284.281 2.534 20 30 CFEDMO COc1cc(C[NH+]2CC3(CCC3(F)F)C2)ccc1C#N ZINC000336017482 380242303 /nfs/dbraw/zinc/24/23/03/380242303.db2.gz GNUHCPMYVABEFV-UHFFFAOYSA-N 1 1 278.302 2.798 20 30 CFEDMO Cc1cc(NC(=O)N2CCC(CC#N)CC2)cn2cc[nH+]c12 ZINC000336289257 380308387 /nfs/dbraw/zinc/30/83/87/380308387.db2.gz BWJPFPGSMBWQJG-UHFFFAOYSA-N 1 1 297.362 2.800 20 30 CFEDMO Cn1nccc1[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000336496773 380366271 /nfs/dbraw/zinc/36/62/71/380366271.db2.gz LMOPDKLUEVXELF-AWEZNQCLSA-N 1 1 298.365 2.810 20 30 CFEDMO CC(C)[N@@H+](CC(=O)NCc1ccc(C#N)cc1)C1CCCC1 ZINC000264482015 383745862 /nfs/dbraw/zinc/74/58/62/383745862.db2.gz QHIYPYQUFHFJID-UHFFFAOYSA-N 1 1 299.418 2.827 20 30 CFEDMO C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(C)(C#N)CC1 ZINC000336442448 380348082 /nfs/dbraw/zinc/34/80/82/380348082.db2.gz JKGMQLZLOWWGEC-SLTAFYQDSA-N 1 1 291.439 2.695 20 30 CFEDMO N#Cc1c(F)cccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000336515134 380395201 /nfs/dbraw/zinc/39/52/01/380395201.db2.gz KURJAWCGUADSNH-CVEARBPZSA-N 1 1 274.339 2.841 20 30 CFEDMO N#Cc1c(F)cccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000336515134 380395204 /nfs/dbraw/zinc/39/52/04/380395204.db2.gz KURJAWCGUADSNH-CVEARBPZSA-N 1 1 274.339 2.841 20 30 CFEDMO Cc1cc(=O)[nH]c([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2)n1 ZINC000279089631 194279627 /nfs/dbraw/zinc/27/96/27/194279627.db2.gz NHMDBTMTQWNMGB-RYUDHWBXSA-N 1 1 282.347 2.774 20 30 CFEDMO N#Cc1csc(C[NH2+][C@@H]2COc3ccc(F)cc32)c1 ZINC000336537031 380433309 /nfs/dbraw/zinc/43/33/09/380433309.db2.gz JHNJNHWUMVZWJW-CYBMUJFWSA-N 1 1 274.320 2.982 20 30 CFEDMO C[NH+]1CCC2(CCCN2Cc2cc(C#N)cs2)CC1 ZINC000336547280 380449223 /nfs/dbraw/zinc/44/92/23/380449223.db2.gz QMPMTWHBVNZTKL-UHFFFAOYSA-N 1 1 275.421 2.680 20 30 CFEDMO C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)CC[N@H+](C2CCC2)C1 ZINC000336517411 380397559 /nfs/dbraw/zinc/39/75/59/380397559.db2.gz IRNHUNDMEPXWQL-AWEZNQCLSA-N 1 1 297.402 2.505 20 30 CFEDMO C=CCCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000279101407 194284987 /nfs/dbraw/zinc/28/49/87/194284987.db2.gz CQYNQPSVLOVTKU-INIZCTEOSA-N 1 1 272.392 2.733 20 30 CFEDMO COc1cc(F)cc(C[NH2+]Cc2ccc(C#N)o2)c1 ZINC000179432596 380543343 /nfs/dbraw/zinc/54/33/43/380543343.db2.gz BFVBDLRGDTYJQU-UHFFFAOYSA-N 1 1 260.268 2.589 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1F ZINC000336615875 380554751 /nfs/dbraw/zinc/55/47/51/380554751.db2.gz JROMCMKIKQJQNG-ZBFHGGJFSA-N 1 1 288.366 2.946 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)o1 ZINC000336630114 380575430 /nfs/dbraw/zinc/57/54/30/380575430.db2.gz QOARKVTXKSCYIZ-OAHLLOKOSA-N 1 1 272.348 2.542 20 30 CFEDMO N#CCCC[NH2+]Cc1c(F)cccc1Br ZINC000336734516 380619573 /nfs/dbraw/zinc/61/95/73/380619573.db2.gz NFUYCAKKUTVUDO-UHFFFAOYSA-N 1 1 271.133 2.982 20 30 CFEDMO CC(C)(C#N)CC[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000336801319 380652582 /nfs/dbraw/zinc/65/25/82/380652582.db2.gz PQPOMVUFZUJSHC-UONOGXRCSA-N 1 1 282.453 2.913 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)s1)C[C@@H]1CCCC[C@@H]1O ZINC000181092403 380737166 /nfs/dbraw/zinc/73/71/66/380737166.db2.gz GQXSDWSECZJQJK-FZMZJTMJSA-N 1 1 264.394 2.603 20 30 CFEDMO C[C@H](c1cccc(C#N)c1)[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287327884 380806164 /nfs/dbraw/zinc/80/61/64/380806164.db2.gz KIZAEPBKCGBHOE-RHSMWYFYSA-N 1 1 297.402 2.564 20 30 CFEDMO C[C@@H](NC[C@H](C)[N@H+](C)C1CC1)c1cccc(C#N)c1 ZINC000181706412 380868896 /nfs/dbraw/zinc/86/88/96/380868896.db2.gz NXFZGRSBVNQOTC-QWHCGFSZSA-N 1 1 257.381 2.692 20 30 CFEDMO C[C@@H](NC[C@H](C)[N@@H+](C)C1CC1)c1cccc(C#N)c1 ZINC000181706412 380868902 /nfs/dbraw/zinc/86/89/02/380868902.db2.gz NXFZGRSBVNQOTC-QWHCGFSZSA-N 1 1 257.381 2.692 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000287443625 380833764 /nfs/dbraw/zinc/83/37/64/380833764.db2.gz QEVDKVSRSPBSMF-ZDUSSCGKSA-N 1 1 259.353 2.887 20 30 CFEDMO C#CCC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000287443625 380833772 /nfs/dbraw/zinc/83/37/72/380833772.db2.gz QEVDKVSRSPBSMF-ZDUSSCGKSA-N 1 1 259.353 2.887 20 30 CFEDMO C=CC[NH2+][C@H](C)c1cc(F)ccc1N1CCN(CC)CC1 ZINC000181633371 380848999 /nfs/dbraw/zinc/84/89/99/380848999.db2.gz LLGDWMFZXAZUHP-CQSZACIVSA-N 1 1 291.414 2.804 20 30 CFEDMO CC[N@@H+](C[C@H](O)C(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000181655011 380855699 /nfs/dbraw/zinc/85/56/99/380855699.db2.gz WQIFUKZWMCEENQ-GWCFXTLKSA-N 1 1 286.297 2.864 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000346993617 380858033 /nfs/dbraw/zinc/85/80/33/380858033.db2.gz WFUXWFBFIMMHFM-INIZCTEOSA-N 1 1 287.407 2.643 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1c1cccnc1 ZINC000346993617 380858042 /nfs/dbraw/zinc/85/80/42/380858042.db2.gz WFUXWFBFIMMHFM-INIZCTEOSA-N 1 1 287.407 2.643 20 30 CFEDMO C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(C#N)cc1F ZINC000358561151 380927801 /nfs/dbraw/zinc/92/78/01/380927801.db2.gz FWUQJESVCMSLMG-AFAVFJNCSA-N 1 1 287.382 2.975 20 30 CFEDMO C=C(CC)C[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 ZINC000358511498 380895257 /nfs/dbraw/zinc/89/52/57/380895257.db2.gz RSYYLMMJYHEHIB-HUUCEWRRSA-N 1 1 266.429 2.969 20 30 CFEDMO CCN(CC)C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404097204 380900896 /nfs/dbraw/zinc/90/08/96/380900896.db2.gz BFNAWQWJQFGMMC-GFCCVEGCSA-N 1 1 263.360 2.517 20 30 CFEDMO N#Cc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000404596556 380906391 /nfs/dbraw/zinc/90/63/91/380906391.db2.gz YCFWZXGDVGRBMX-DJIMGWMZSA-N 1 1 287.382 2.708 20 30 CFEDMO C=CCC(C)(C)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000410638549 380985342 /nfs/dbraw/zinc/98/53/42/380985342.db2.gz QJBANHVJCLKCCR-STQMWFEESA-N 1 1 252.402 2.530 20 30 CFEDMO C=C(CC)C[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000358615587 380970495 /nfs/dbraw/zinc/97/04/95/380970495.db2.gz DUYUGNRFLADURP-UHFFFAOYSA-N 1 1 251.399 2.540 20 30 CFEDMO Cc1nsc(NC[C@H]2CC[N@H+](CC(C)C)C2)c1C#N ZINC000287917990 380971131 /nfs/dbraw/zinc/97/11/31/380971131.db2.gz QCLBGSOWDUTNJC-GFCCVEGCSA-N 1 1 278.425 2.713 20 30 CFEDMO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1C#N ZINC000279274044 194363148 /nfs/dbraw/zinc/36/31/48/194363148.db2.gz JLCUDFUOXTVRPW-PXAZEXFGSA-N 1 1 286.375 2.566 20 30 CFEDMO COc1ccc(C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)cc1C#N ZINC000279274044 194363150 /nfs/dbraw/zinc/36/31/50/194363150.db2.gz JLCUDFUOXTVRPW-PXAZEXFGSA-N 1 1 286.375 2.566 20 30 CFEDMO Cc1nsc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c1C#N ZINC000287917991 380972204 /nfs/dbraw/zinc/97/22/04/380972204.db2.gz QCLBGSOWDUTNJC-LBPRGKRZSA-N 1 1 278.425 2.713 20 30 CFEDMO C=C(CC)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000358631752 380980734 /nfs/dbraw/zinc/98/07/34/380980734.db2.gz ONMXGCXGKDZMFT-UHFFFAOYSA-N 1 1 275.352 2.683 20 30 CFEDMO C=CC[NH+]1CCC(N[C@@H](C)c2ccc(C#N)cc2F)CC1 ZINC000358567055 380934026 /nfs/dbraw/zinc/93/40/26/380934026.db2.gz IYYDBBOAIWHIIM-ZDUSSCGKSA-N 1 1 287.382 2.998 20 30 CFEDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2cc(C#N)ccc2F)C1 ZINC000295555955 380938748 /nfs/dbraw/zinc/93/87/48/380938748.db2.gz SQJPQEMBCQMWLW-CQSZACIVSA-N 1 1 276.355 2.680 20 30 CFEDMO CC(C)(C)OC(=O)CCC[N@@H+](CCC#N)CC1CC1 ZINC000181943207 380942296 /nfs/dbraw/zinc/94/22/96/380942296.db2.gz YWMKKKYFUZNUGD-UHFFFAOYSA-N 1 1 266.385 2.734 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]2Cc2ccccc2)o1 ZINC000353996347 381009319 /nfs/dbraw/zinc/00/93/19/381009319.db2.gz CKJLSOOEYUWGGW-CQSZACIVSA-N 1 1 252.317 2.968 20 30 CFEDMO COCC[N@@H+](CCC1(C#N)CCCCC1)C1CC1 ZINC000411175620 381011967 /nfs/dbraw/zinc/01/19/67/381011967.db2.gz QVDKTCWBQBFOOK-UHFFFAOYSA-N 1 1 250.386 2.961 20 30 CFEDMO C[C@@H]1CO[C@@H](C)C[N@H+]1CCC1(C#N)CCCCC1 ZINC000411147685 381012222 /nfs/dbraw/zinc/01/22/22/381012222.db2.gz PZCNAKNPASNGQU-KGLIPLIRSA-N 1 1 250.386 2.960 20 30 CFEDMO CC/C=C/CC[N@H+]1CCCN(c2ncccc2C#N)CC1 ZINC000368399809 381012496 /nfs/dbraw/zinc/01/24/96/381012496.db2.gz LZKNETGVCCTGQO-ONEGZZNKSA-N 1 1 284.407 2.822 20 30 CFEDMO C=CCCC[N@H+](C)CCOc1ccccc1C(=O)OC ZINC000182181379 381012665 /nfs/dbraw/zinc/01/26/65/381012665.db2.gz GLXYEPRYXNXRTH-UHFFFAOYSA-N 1 1 277.364 2.750 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000411149881 381013815 /nfs/dbraw/zinc/01/38/15/381013815.db2.gz TWRZVQVDDJHRPH-OAHLLOKOSA-N 1 1 285.391 2.527 20 30 CFEDMO C=CC[NH+](CC=C)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000411162033 381013858 /nfs/dbraw/zinc/01/38/58/381013858.db2.gz GDFIVXIIGWJEGT-AWEZNQCLSA-N 1 1 264.413 2.698 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)[C@@H](C(=O)OC)C1CC1 ZINC000411186991 381016430 /nfs/dbraw/zinc/01/64/30/381016430.db2.gz AIMKOFDKMPQQET-MRXNPFEDSA-N 1 1 273.376 2.669 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)[C@@H](C(=O)OC)C1CC1 ZINC000411186991 381016438 /nfs/dbraw/zinc/01/64/38/381016438.db2.gz AIMKOFDKMPQQET-MRXNPFEDSA-N 1 1 273.376 2.669 20 30 CFEDMO C[N@@H+](CCn1cccn1)CCC1(C#N)CCCCC1 ZINC000411261738 381021260 /nfs/dbraw/zinc/02/12/60/381021260.db2.gz QACLMDJAGLOUMV-UHFFFAOYSA-N 1 1 260.385 2.679 20 30 CFEDMO COc1cc(C)c(C[N@H+](C)CC(C)(C)C#N)cc1OC ZINC000354017600 381022983 /nfs/dbraw/zinc/02/29/83/381022983.db2.gz LKSHBACBOJNGJF-UHFFFAOYSA-N 1 1 276.380 2.994 20 30 CFEDMO COc1cc(C)c(C[N@@H+](C)CC(C)(C)C#N)cc1OC ZINC000354017600 381022989 /nfs/dbraw/zinc/02/29/89/381022989.db2.gz LKSHBACBOJNGJF-UHFFFAOYSA-N 1 1 276.380 2.994 20 30 CFEDMO C[C@@]1(C(N)=O)CCCC[N@H+]1CCC1(C#N)CCCCC1 ZINC000411525191 381032239 /nfs/dbraw/zinc/03/22/39/381032239.db2.gz LOGDXFPHFOZQRM-HNNXBMFYSA-N 1 1 277.412 2.580 20 30 CFEDMO C[C@H](CCC#N)[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000411393777 381025210 /nfs/dbraw/zinc/02/52/10/381025210.db2.gz ASQJAHZBMHICKM-IIAWOOMASA-N 1 1 261.413 2.627 20 30 CFEDMO C[C@H](CCC#N)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000411393777 381025221 /nfs/dbraw/zinc/02/52/21/381025221.db2.gz ASQJAHZBMHICKM-IIAWOOMASA-N 1 1 261.413 2.627 20 30 CFEDMO C[C@H](CCC#N)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000411393777 381025223 /nfs/dbraw/zinc/02/52/23/381025223.db2.gz ASQJAHZBMHICKM-IIAWOOMASA-N 1 1 261.413 2.627 20 30 CFEDMO C=CC[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000182132963 380999382 /nfs/dbraw/zinc/99/93/82/380999382.db2.gz LTWBRNOHLFRHDX-LBPRGKRZSA-N 1 1 259.271 2.598 20 30 CFEDMO C=CC[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000182132963 380999389 /nfs/dbraw/zinc/99/93/89/380999389.db2.gz LTWBRNOHLFRHDX-LBPRGKRZSA-N 1 1 259.271 2.598 20 30 CFEDMO CCCC[N@@H+](CCCO)Cc1cc(C#N)ccc1OC ZINC000182136861 380999711 /nfs/dbraw/zinc/99/97/11/380999711.db2.gz FMHWQRPNVGXNRZ-UHFFFAOYSA-N 1 1 276.380 2.551 20 30 CFEDMO C[C@H](CCC#N)[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000411529054 381030862 /nfs/dbraw/zinc/03/08/62/381030862.db2.gz GLCULEQAKKQPDD-OLZOCXBDSA-N 1 1 269.352 2.610 20 30 CFEDMO C=C(C)C[N@H+](CC(=O)Nc1cc(C)on1)Cc1ccccc1 ZINC000279312013 194380721 /nfs/dbraw/zinc/38/07/21/194380721.db2.gz NDRWWQFNGHIGBX-UHFFFAOYSA-N 1 1 299.374 3.000 20 30 CFEDMO C=C(C)C[N@@H+](CC(=O)Nc1cc(C)on1)Cc1ccccc1 ZINC000279312013 194380723 /nfs/dbraw/zinc/38/07/23/194380723.db2.gz NDRWWQFNGHIGBX-UHFFFAOYSA-N 1 1 299.374 3.000 20 30 CFEDMO CC#CCNc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000182302799 381055391 /nfs/dbraw/zinc/05/53/91/381055391.db2.gz WGCJHOFVYGHIQF-HUUCEWRRSA-N 1 1 272.392 2.731 20 30 CFEDMO Cc1cc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc(C#N)n1 ZINC000341526430 381067190 /nfs/dbraw/zinc/06/71/90/381067190.db2.gz MNSFPOLEDWEUMZ-JSGCOSHPSA-N 1 1 272.396 2.794 20 30 CFEDMO COCCO[C@H]1CC[N@@H+](CCC2(C#N)CCCCC2)C1 ZINC000411603093 381035628 /nfs/dbraw/zinc/03/56/28/381035628.db2.gz LLOXAMKSSLFHET-HNNXBMFYSA-N 1 1 280.412 2.588 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)[C@@H](CC)CN1C(C)=O ZINC000354119656 381091961 /nfs/dbraw/zinc/09/19/61/381091961.db2.gz JCHNVVCCIMGAKC-ZWKOTPCHSA-N 1 1 299.418 2.780 20 30 CFEDMO C[N@@H+](CCCO[C@H]1CCCCO1)Cc1cccc(C#N)c1 ZINC000358800702 381093117 /nfs/dbraw/zinc/09/31/17/381093117.db2.gz BTEJDVHPDAYABP-KRWDZBQOSA-N 1 1 288.391 2.923 20 30 CFEDMO C=CCN(CC=C)[C@H](C[NH2+][C@H]1CCn2ccnc21)C(C)C ZINC000295816890 381095061 /nfs/dbraw/zinc/09/50/61/381095061.db2.gz DCYDJQHVPYHHSO-JKSUJKDBSA-N 1 1 288.439 2.616 20 30 CFEDMO COC[C@@H]1CCCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000368662251 381102038 /nfs/dbraw/zinc/10/20/38/381102038.db2.gz ZHCJEEPSCVUBHT-GFCCVEGCSA-N 1 1 264.394 2.868 20 30 CFEDMO CC(C)OCCC[N@H+](C)Cc1ccc(F)cc1C#N ZINC000354221823 381149093 /nfs/dbraw/zinc/14/90/93/381149093.db2.gz KMFUILJXQMJNTG-UHFFFAOYSA-N 1 1 264.344 2.944 20 30 CFEDMO CC(C)OCCC[N@@H+](C)Cc1ccc(F)cc1C#N ZINC000354221823 381149098 /nfs/dbraw/zinc/14/90/98/381149098.db2.gz KMFUILJXQMJNTG-UHFFFAOYSA-N 1 1 264.344 2.944 20 30 CFEDMO COc1ccc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)cc1C#N ZINC000289742032 381130804 /nfs/dbraw/zinc/13/08/04/381130804.db2.gz DYXKCVDNTMOMGN-INIZCTEOSA-N 1 1 296.374 2.519 20 30 CFEDMO C#CCn1ccc(C[N@@H+](CC)Cc2cc(C)c(O)c(C)c2)n1 ZINC000289801632 381166848 /nfs/dbraw/zinc/16/68/48/381166848.db2.gz SHUSFLHJKVFJKD-UHFFFAOYSA-N 1 1 297.402 2.861 20 30 CFEDMO C#CCn1ccc(C[N@H+](CC)Cc2cc(C)c(O)c(C)c2)n1 ZINC000289801632 381166854 /nfs/dbraw/zinc/16/68/54/381166854.db2.gz SHUSFLHJKVFJKD-UHFFFAOYSA-N 1 1 297.402 2.861 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000289801859 381166942 /nfs/dbraw/zinc/16/69/42/381166942.db2.gz SKDIPHDECUCPRZ-GJZGRUSLSA-N 1 1 297.320 2.803 20 30 CFEDMO CCC[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(C#N)c2)C1 ZINC000341628331 381136422 /nfs/dbraw/zinc/13/64/22/381136422.db2.gz ZTHRCCBPTWSEAU-HNNXBMFYSA-N 1 1 299.418 2.687 20 30 CFEDMO N#CCCCC[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000368996083 381177276 /nfs/dbraw/zinc/17/72/76/381177276.db2.gz WGJFSJDVXILLLA-QGZVFWFLSA-N 1 1 272.392 2.750 20 30 CFEDMO CO[C@H](C)c1noc(C[N@H+](C)CC(C)(C)CCC#N)n1 ZINC000354317502 381200340 /nfs/dbraw/zinc/20/03/40/381200340.db2.gz GZZQHGOHNQWYAM-LLVKDONJSA-N 1 1 280.372 2.539 20 30 CFEDMO CO[C@H](C)c1noc(C[N@@H+](C)CC(C)(C)CCC#N)n1 ZINC000354317502 381200350 /nfs/dbraw/zinc/20/03/50/381200350.db2.gz GZZQHGOHNQWYAM-LLVKDONJSA-N 1 1 280.372 2.539 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)c2ncc(C#N)cc2Cl)C[C@H]1C ZINC000354351508 381218830 /nfs/dbraw/zinc/21/88/30/381218830.db2.gz CCVLGHALPHQMGC-YPMHNXCESA-N 1 1 292.814 2.916 20 30 CFEDMO N#CCc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000342069452 381208267 /nfs/dbraw/zinc/20/82/67/381208267.db2.gz VOFCELIUCSMPQL-SJORKVTESA-N 1 1 270.376 2.896 20 30 CFEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000342131343 381212266 /nfs/dbraw/zinc/21/22/66/381212266.db2.gz OLBQTSLFWVFDMJ-OAHLLOKOSA-N 1 1 263.385 2.540 20 30 CFEDMO COc1cc(C[N@@H+]2CCC[C@@](C)(F)C2)ccc1C#N ZINC000296093469 381253069 /nfs/dbraw/zinc/25/30/69/381253069.db2.gz RKQDUAGRRNBFFY-OAHLLOKOSA-N 1 1 262.328 2.891 20 30 CFEDMO COc1cc(C[N@H+]2CCC[C@@](C)(F)C2)ccc1C#N ZINC000296093469 381253073 /nfs/dbraw/zinc/25/30/73/381253073.db2.gz RKQDUAGRRNBFFY-OAHLLOKOSA-N 1 1 262.328 2.891 20 30 CFEDMO CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1)c1cccs1 ZINC000347615830 381257805 /nfs/dbraw/zinc/25/78/05/381257805.db2.gz RDSQFPAJSOVNAB-UKRRQHHQSA-N 1 1 299.399 2.887 20 30 CFEDMO N#Cc1c(C[N@H+]2CCCO[C@@H]3CCC[C@@H]32)cn2ccccc12 ZINC000369456042 381262263 /nfs/dbraw/zinc/26/22/63/381262263.db2.gz DWUAUCAUJHDVPJ-ZWKOTPCHSA-N 1 1 295.386 2.954 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)Cc1cncc(OC)c1 ZINC000290018554 381263668 /nfs/dbraw/zinc/26/36/68/381263668.db2.gz SQAJUSONHSRDLI-UHFFFAOYSA-N 1 1 272.348 2.914 20 30 CFEDMO CCCC[N@@H+](C)C[C@@H](C)NCc1ccc(C#N)cc1 ZINC000290022904 381265465 /nfs/dbraw/zinc/26/54/65/381265465.db2.gz ZTFICFZWXHXHNM-CQSZACIVSA-N 1 1 259.397 2.768 20 30 CFEDMO CCCCN(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000290022904 381265471 /nfs/dbraw/zinc/26/54/71/381265471.db2.gz ZTFICFZWXHXHNM-CQSZACIVSA-N 1 1 259.397 2.768 20 30 CFEDMO C=C[C@@H](CO)[NH2+]Cc1cc(Br)ccc1Cl ZINC000289938548 381225310 /nfs/dbraw/zinc/22/53/10/381225310.db2.gz UFSQECKZXGMNCM-JTQLQIEISA-N 1 1 290.588 2.739 20 30 CFEDMO C=CC[N@@H+](C)Cc1cc2c(cc1Cl)OCCO2 ZINC000289979359 381246113 /nfs/dbraw/zinc/24/61/13/381246113.db2.gz QLMBBGPJLBMGDM-UHFFFAOYSA-N 1 1 253.729 2.729 20 30 CFEDMO C=CC[N@H+](C)Cc1cc2c(cc1Cl)OCCO2 ZINC000289979359 381246123 /nfs/dbraw/zinc/24/61/23/381246123.db2.gz QLMBBGPJLBMGDM-UHFFFAOYSA-N 1 1 253.729 2.729 20 30 CFEDMO C=CCC[C@H](O)C[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296217115 381305219 /nfs/dbraw/zinc/30/52/19/381305219.db2.gz KAIIZYBODAQONT-GJZGRUSLSA-N 1 1 283.799 2.632 20 30 CFEDMO Cc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)cc1C#N ZINC000296155942 381280718 /nfs/dbraw/zinc/28/07/18/381280718.db2.gz YJVIJAIGAYZFMT-YHWZYXNKSA-N 1 1 290.798 2.952 20 30 CFEDMO C[C@H](C#N)CN[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000183837622 381328922 /nfs/dbraw/zinc/32/89/22/381328922.db2.gz BZBAUFMUPTVFCH-YCPHGPKFSA-N 1 1 257.381 2.571 20 30 CFEDMO C[C@H](C#N)C[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000183837622 381328925 /nfs/dbraw/zinc/32/89/25/381328925.db2.gz BZBAUFMUPTVFCH-YCPHGPKFSA-N 1 1 257.381 2.571 20 30 CFEDMO COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc(C#N)o1 ZINC000369672394 381310633 /nfs/dbraw/zinc/31/06/33/381310633.db2.gz NJOAFMBHICCRLL-AWEZNQCLSA-N 1 1 284.315 2.773 20 30 CFEDMO CC(C)(C)[C@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C[C@@H]1O ZINC000347780426 381344958 /nfs/dbraw/zinc/34/49/58/381344958.db2.gz GRXBMSFEPWMAMC-GJZGRUSLSA-N 1 1 290.382 2.926 20 30 CFEDMO C=CCN(CC=C)C(=O)C[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000184374903 381407216 /nfs/dbraw/zinc/40/72/16/381407216.db2.gz CVWFAEWMQQILDO-ZDUSSCGKSA-N 1 1 293.436 2.693 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CCCC[C@@H](COC)C1 ZINC000342581204 381412097 /nfs/dbraw/zinc/41/20/97/381412097.db2.gz ISBLTSWQHGYVSP-JKSUJKDBSA-N 1 1 296.455 2.548 20 30 CFEDMO 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C[C@H]1CCC[C@H](C)[NH+]1CCNCc1cc(C#N)cs1 ZINC000344227055 382214180 /nfs/dbraw/zinc/21/41/80/382214180.db2.gz UUAYGYYMUBZWPJ-STQMWFEESA-N 1 1 277.437 2.972 20 30 CFEDMO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000363042755 382226445 /nfs/dbraw/zinc/22/64/45/382226445.db2.gz OUMXBHOMCMZWPG-OAHLLOKOSA-N 1 1 263.429 2.877 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@@H](N2CCCC2)C1 ZINC000363042755 382226451 /nfs/dbraw/zinc/22/64/51/382226451.db2.gz OUMXBHOMCMZWPG-OAHLLOKOSA-N 1 1 263.429 2.877 20 30 CFEDMO CN(CC[N@@H+](C)C1CC1)c1c(Cl)cccc1C#N ZINC000302251873 382229935 /nfs/dbraw/zinc/22/99/35/382229935.db2.gz NFMBIAROOUCTTK-UHFFFAOYSA-N 1 1 263.772 2.742 20 30 CFEDMO C=C(C)[C@@H](CC(=O)Nc1cc(C)c2[nH+]ccn2c1)OCC ZINC000293789667 382280166 /nfs/dbraw/zinc/28/01/66/382280166.db2.gz CJPMHTTXICCDQM-CQSZACIVSA-N 1 1 287.363 2.953 20 30 CFEDMO COc1cc(CNc2ccc(C)c[nH+]2)ccc1C#N ZINC000357592676 382242389 /nfs/dbraw/zinc/24/23/89/382242389.db2.gz ATEQRAFZRABXFW-UHFFFAOYSA-N 1 1 253.305 2.882 20 30 CFEDMO C#C[C@@H](C)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000363704097 382243072 /nfs/dbraw/zinc/24/30/72/382243072.db2.gz SWNMZWSETGCIGK-HIFRSBDPSA-N 1 1 299.418 2.631 20 30 CFEDMO COc1cc(CNc2cc(C)cc[nH+]2)ccc1C#N ZINC000357615371 382252604 /nfs/dbraw/zinc/25/26/04/382252604.db2.gz IHKMYUNTUJAQAY-UHFFFAOYSA-N 1 1 253.305 2.882 20 30 CFEDMO C=CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337752 382253355 /nfs/dbraw/zinc/25/33/55/382253355.db2.gz PNQMXFHYHHSPKU-IRXDYDNUSA-N 1 1 256.393 2.626 20 30 CFEDMO C=CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337752 382253360 /nfs/dbraw/zinc/25/33/60/382253360.db2.gz PNQMXFHYHHSPKU-IRXDYDNUSA-N 1 1 256.393 2.626 20 30 CFEDMO C=CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377337752 382253363 /nfs/dbraw/zinc/25/33/63/382253363.db2.gz PNQMXFHYHHSPKU-IRXDYDNUSA-N 1 1 256.393 2.626 20 30 CFEDMO C=CC[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C1 ZINC000377337752 382253368 /nfs/dbraw/zinc/25/33/68/382253368.db2.gz 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382302531 /nfs/dbraw/zinc/30/25/31/382302531.db2.gz MQMRMUVGXSCNNU-MAUKXSAKSA-N 1 1 295.386 2.934 20 30 CFEDMO C=CCOCCC[N@@H+]1CCC[C@@H]1COc1cccnc1C ZINC000419381615 382306608 /nfs/dbraw/zinc/30/66/08/382306608.db2.gz CNUOXRVDUCNTSJ-MRXNPFEDSA-N 1 1 290.407 2.826 20 30 CFEDMO C[C@H]1CCCC[N@@H+](CC(=O)Nc2cccc(C#N)c2)C1 ZINC000187969042 382313728 /nfs/dbraw/zinc/31/37/28/382313728.db2.gz KWQVGZPHFBPDMU-ZDUSSCGKSA-N 1 1 271.364 2.619 20 30 CFEDMO C[C@H](C#N)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000345822856 382316199 /nfs/dbraw/zinc/31/61/99/382316199.db2.gz YEIZHGJQHKQQDO-HUUCEWRRSA-N 1 1 299.418 2.837 20 30 CFEDMO C=CCOc1ccc(C[NH2+]Cc2ccn(C)n2)cc1Cl ZINC000345835413 382317054 /nfs/dbraw/zinc/31/70/54/382317054.db2.gz OKUFKARWQLTKPW-UHFFFAOYSA-N 1 1 291.782 2.928 20 30 CFEDMO COCCCC[N@@H+](C)Cc1cccc(F)c1C#N ZINC000419395545 382317210 /nfs/dbraw/zinc/31/72/10/382317210.db2.gz YBGOJHYWIKLKSP-UHFFFAOYSA-N 1 1 250.317 2.556 20 30 CFEDMO Cc1sccc1C[N@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 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C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000352445024 382335620 /nfs/dbraw/zinc/33/56/20/382335620.db2.gz JGEQHWNHZANVOJ-LZWOXQAQSA-N 1 1 266.429 2.968 20 30 CFEDMO COc1ccc(C)cc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352462311 382346184 /nfs/dbraw/zinc/34/61/84/382346184.db2.gz CCTNRGCNHKXUQS-UHFFFAOYSA-N 1 1 262.328 2.831 20 30 CFEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2c2ccc(F)cc2C#N)C1 ZINC000302707043 382298812 /nfs/dbraw/zinc/29/88/12/382298812.db2.gz CNSOJZSMASLXJP-WBMJQRKESA-N 1 1 273.355 2.618 20 30 CFEDMO C[C@H]1CCC[C@H](C)[N@@H+](CC(=O)NCc2ccc(C#N)cc2)C1 ZINC000357739610 382300137 /nfs/dbraw/zinc/30/01/37/382300137.db2.gz ILVOTJCKMJFCNT-GJZGRUSLSA-N 1 1 299.418 2.685 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)cc1 ZINC000293959316 382354239 /nfs/dbraw/zinc/35/42/39/382354239.db2.gz JHSHEDABDTXIIB-GOSISDBHSA-N 1 1 271.404 2.898 20 30 CFEDMO Cc1cc(F)ccc1C[NH+]1CCC(F)(C#N)CC1 ZINC000352484647 382358806 /nfs/dbraw/zinc/35/88/06/382358806.db2.gz RTAZPTKOXYAUEW-UHFFFAOYSA-N 1 1 250.292 2.962 20 30 CFEDMO N#CC1(F)CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000352485073 382359289 /nfs/dbraw/zinc/35/92/89/382359289.db2.gz XFEDEQFZDVPDOA-UHFFFAOYSA-N 1 1 266.291 2.532 20 30 CFEDMO COC[C@H]1CCCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000365254906 382366926 /nfs/dbraw/zinc/36/69/26/382366926.db2.gz IQPMQEXLTXZJRJ-AWEZNQCLSA-N 1 1 276.355 2.946 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CCOC2(CCOCC2)CC1 ZINC000365462329 382397303 /nfs/dbraw/zinc/39/73/03/382397303.db2.gz NSAWCGPBLUDAMG-UHFFFAOYSA-N 1 1 294.439 2.978 20 30 CFEDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccc(C#N)s2)C1 ZINC000294018818 382380252 /nfs/dbraw/zinc/38/02/52/382380252.db2.gz NLLDVBIMNZWCBI-OAHLLOKOSA-N 1 1 278.421 2.850 20 30 CFEDMO C=CCC[C@@H](O)C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000305082182 382422608 /nfs/dbraw/zinc/42/26/08/382422608.db2.gz MTDPMQRDYUFGDI-CVEARBPZSA-N 1 1 267.413 2.737 20 30 CFEDMO CC[N@H+]1CCN(Cc2ccc(Cl)cc2C#N)[C@H](C)C1 ZINC000352662632 382438615 /nfs/dbraw/zinc/43/86/15/382438615.db2.gz ZZXSUKQRVXRSAA-GFCCVEGCSA-N 1 1 277.799 2.738 20 30 CFEDMO Cc1[nH+]ccn1Cc1ccc(C#N)cc1OC(F)F ZINC000346618692 382439133 /nfs/dbraw/zinc/43/91/33/382439133.db2.gz KEBDAFJZVZLNKH-UHFFFAOYSA-N 1 1 263.247 2.713 20 30 CFEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000365477532 382398912 /nfs/dbraw/zinc/39/89/12/382398912.db2.gz ICWJFNPZENLZFX-BZUAXINKSA-N 1 1 270.376 2.804 20 30 CFEDMO CCSCC[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000365523051 382407846 /nfs/dbraw/zinc/40/78/46/382407846.db2.gz DHLSPKFOWBPNOD-UHFFFAOYSA-N 1 1 289.448 2.823 20 30 CFEDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1CCCC(C)(C)C#N ZINC000304479608 382410200 /nfs/dbraw/zinc/41/02/00/382410200.db2.gz AMUBFFKHDJTSMP-KBPBESRZSA-N 1 1 252.402 2.942 20 30 CFEDMO OCCCC[N@@H+](CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000304801824 382417642 /nfs/dbraw/zinc/41/76/42/382417642.db2.gz PFAMHVWCDANFGJ-UHFFFAOYSA-N 1 1 277.795 2.928 20 30 CFEDMO C[C@@H]([NH2+][C@H]1CCn2ccnc21)c1ccc(C#N)cc1 ZINC000294114733 382421046 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ZINC000294267508 382486530 /nfs/dbraw/zinc/48/65/30/382486530.db2.gz DQOHLQONKVQMGQ-UHFFFAOYSA-N 1 1 286.419 2.586 20 30 CFEDMO C=CCCCCNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000353017338 382488681 /nfs/dbraw/zinc/48/86/81/382488681.db2.gz HNCASXZGVVCTJQ-HNNXBMFYSA-N 1 1 281.444 2.906 20 30 CFEDMO C=CCCCCNC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000353017340 382488691 /nfs/dbraw/zinc/48/86/91/382488691.db2.gz HNCASXZGVVCTJQ-OAHLLOKOSA-N 1 1 281.444 2.906 20 30 CFEDMO C=C[C@@](C)(CCOC)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000353027398 382488991 /nfs/dbraw/zinc/48/89/91/382488991.db2.gz DELSXXDOPXWZSW-WBVHZDCISA-N 1 1 296.455 2.548 20 30 CFEDMO N#CC1(C[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000309526041 382489148 /nfs/dbraw/zinc/48/91/48/382489148.db2.gz ATVAEKYCJFGGRM-UHFFFAOYSA-N 1 1 283.144 2.982 20 30 CFEDMO Fc1ccc(C#CC[N@@H+]2CC[C@H](COC(F)F)C2)cc1 ZINC000353025268 382489176 /nfs/dbraw/zinc/48/91/76/382489176.db2.gz IOHIKWDXJHDKAP-ZDUSSCGKSA-N 1 1 283.293 2.738 20 30 CFEDMO 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C=C[C@@H](CC(=O)NC[C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000245644529 383018472 /nfs/dbraw/zinc/01/84/72/383018472.db2.gz LGCFPYGATOYJLK-CVEARBPZSA-N 1 1 286.419 2.804 20 30 CFEDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(CC#N)cc1 ZINC000443335957 382967005 /nfs/dbraw/zinc/96/70/05/382967005.db2.gz QHUWDTNYEIXEDQ-JKIFEVAISA-N 1 1 272.392 2.734 20 30 CFEDMO N#Cc1cccc(OCCC[NH+]2CC(C(F)(F)F)C2)c1 ZINC000578937721 382967137 /nfs/dbraw/zinc/96/71/37/382967137.db2.gz IUXGOUZIOYJNLY-UHFFFAOYSA-N 1 1 284.281 2.821 20 30 CFEDMO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000495796392 383028092 /nfs/dbraw/zinc/02/80/92/383028092.db2.gz VKFZIIUJDVRJOT-HZSPNIEDSA-N 1 1 293.411 2.620 20 30 CFEDMO C[C@@H]1C[N@H+]([C@@H]2CC[C@H](C#N)C2)CCN1C(=O)OC(C)(C)C ZINC000495796392 383028093 /nfs/dbraw/zinc/02/80/93/383028093.db2.gz VKFZIIUJDVRJOT-HZSPNIEDSA-N 1 1 293.411 2.620 20 30 CFEDMO C=CCCCNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000447975813 383036556 /nfs/dbraw/zinc/03/65/56/383036556.db2.gz 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C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C[C@H]1n1ccnc1 ZINC000245681888 383021872 /nfs/dbraw/zinc/02/18/72/383021872.db2.gz PFXBTFSBZOYYRY-CXAGYDPISA-N 1 1 298.365 2.977 20 30 CFEDMO COc1ccc2c(c1)OCC[N@@H+](CCC(C)(C)C#N)C2 ZINC000338633763 383025881 /nfs/dbraw/zinc/02/58/81/383025881.db2.gz QOBWSMUSGABLLP-UHFFFAOYSA-N 1 1 274.364 2.829 20 30 CFEDMO COc1ccc2c(c1)OCC[N@H+](CCC(C)(C)C#N)C2 ZINC000338633763 383025885 /nfs/dbraw/zinc/02/58/85/383025885.db2.gz QOBWSMUSGABLLP-UHFFFAOYSA-N 1 1 274.364 2.829 20 30 CFEDMO C[NH+]1CCN(Cc2ccc(N[C@@H]3CC[C@@H](C#N)C3)cc2)CC1 ZINC000579550663 383027386 /nfs/dbraw/zinc/02/73/86/383027386.db2.gz MVWUSZUHDGMNCW-SJLPKXTDSA-N 1 1 298.434 2.538 20 30 CFEDMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000495794510 383027912 /nfs/dbraw/zinc/02/79/12/383027912.db2.gz MOHMPYKJVFECSE-MCIONIFRSA-N 1 1 293.411 2.668 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@H]1COC(=O)NCCC ZINC000496757001 383124533 /nfs/dbraw/zinc/12/45/33/383124533.db2.gz 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383128387 /nfs/dbraw/zinc/12/83/87/383128387.db2.gz RUXKQGSKBKSARH-INIZCTEOSA-N 1 1 295.427 2.917 20 30 CFEDMO C[C@@H](CC#N)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000609633975 383134512 /nfs/dbraw/zinc/13/45/12/383134512.db2.gz OYVIAEOLEXTITE-JTQLQIEISA-N 1 1 290.754 2.824 20 30 CFEDMO CC(C)[C@H](C#N)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000609631524 383134724 /nfs/dbraw/zinc/13/47/24/383134724.db2.gz UWYCBABLGGBNJB-KKMIYCERSA-N 1 1 283.419 2.866 20 30 CFEDMO C=CC[N@H+](CCN1CCO[C@H](C)C1)CC1CCCCC1 ZINC000500129655 383136464 /nfs/dbraw/zinc/13/64/64/383136464.db2.gz OYFLPYYNEYBVPH-MRXNPFEDSA-N 1 1 280.456 2.775 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@H](CC)CCCC)C1=O ZINC000499993993 383136500 /nfs/dbraw/zinc/13/65/00/383136500.db2.gz DPTLYNJOIANARX-HUUCEWRRSA-N 1 1 266.429 2.922 20 30 CFEDMO N#CCC[C@H](C#N)C[N@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000246587678 383084080 /nfs/dbraw/zinc/08/40/80/383084080.db2.gz FQJHLSVGJAICEU-IAGOWNOFSA-N 1 1 267.376 2.995 20 30 CFEDMO CCCO[C@H]1CCC[N@@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000246640714 383088668 /nfs/dbraw/zinc/08/86/68/383088668.db2.gz XIBFBBQUFNDISF-CABCVRRESA-N 1 1 263.385 2.711 20 30 CFEDMO C=CCCCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000583303602 383089176 /nfs/dbraw/zinc/08/91/76/383089176.db2.gz JVWFUTXELBXXOA-MJBXVCDLSA-N 1 1 251.370 2.616 20 30 CFEDMO C[C@@H](CCC#N)[NH+]1CCN(Cc2ccsc2)CC1 ZINC000583739053 383092903 /nfs/dbraw/zinc/09/29/03/383092903.db2.gz MZHITJXVRMTLAA-ZDUSSCGKSA-N 1 1 263.410 2.558 20 30 CFEDMO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1cscn1 ZINC000552911932 383092961 /nfs/dbraw/zinc/09/29/61/383092961.db2.gz UXUKVPWSCWHKIN-LLVKDONJSA-N 1 1 273.361 2.744 20 30 CFEDMO C[C@@H]1CCC[N@H+](C(C)(C)CNC[C@@H](C#N)CCC#N)C1 ZINC000583867159 383093594 /nfs/dbraw/zinc/09/35/94/383093594.db2.gz UHXQICAOOCGNSW-HUUCEWRRSA-N 1 1 276.428 2.530 20 30 CFEDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@]1(C#N)C[C@H]1C ZINC000448718221 383097801 /nfs/dbraw/zinc/09/78/01/383097801.db2.gz UWBWSGYNDVZZRI-RDTXWAMCSA-N 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383155403 /nfs/dbraw/zinc/15/54/03/383155403.db2.gz NONVMKUGLXZUTH-OAHLLOKOSA-N 1 1 281.444 2.764 20 30 CFEDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](CC(C)(C)CCC#N)[C@@H]2C1 ZINC000247258889 383156664 /nfs/dbraw/zinc/15/66/64/383156664.db2.gz XNZYOXUUQKQGFU-RBSFLKMASA-N 1 1 280.412 2.585 20 30 CFEDMO C[C@@H](C#N)CN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000562297684 383156801 /nfs/dbraw/zinc/15/68/01/383156801.db2.gz ISLIUYVEOJULRF-AWEZNQCLSA-N 1 1 291.439 2.792 20 30 CFEDMO C=CCCCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000562628679 383161089 /nfs/dbraw/zinc/16/10/89/383161089.db2.gz RVNUFMKTCIVKDU-UHFFFAOYSA-N 1 1 281.444 2.714 20 30 CFEDMO C=CCCCC[C@H](C)[NH2+]C[C@@H](C)N1CCN(CC)CC1 ZINC000449074007 383162061 /nfs/dbraw/zinc/16/20/61/383162061.db2.gz AXZVMSHZWYULBS-DLBZAZTESA-N 1 1 281.488 2.737 20 30 CFEDMO C=CCCCC[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000562697383 383162157 /nfs/dbraw/zinc/16/21/57/383162157.db2.gz MCRSWTLENOIMOZ-MRXNPFEDSA-N 1 1 266.429 2.529 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000562828792 383162961 /nfs/dbraw/zinc/16/29/61/383162961.db2.gz OSWWAWQOSITXLK-RHSMWYFYSA-N 1 1 278.359 2.969 20 30 CFEDMO C=CCN1CC[C@@H]([N@H+](C)C[C@H](C)C2CCCCC2)C1=O ZINC000339153759 383168563 /nfs/dbraw/zinc/16/85/63/383168563.db2.gz KWTNVGGXSFIOHC-GOEBONIOSA-N 1 1 278.440 2.922 20 30 CFEDMO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NCc1ccc(C#N)s1 ZINC000247396012 383169477 /nfs/dbraw/zinc/16/94/77/383169477.db2.gz WNBVGNIWTUOFRL-OLZOCXBDSA-N 1 1 277.437 2.830 20 30 CFEDMO C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NCc1ccc(C#N)s1 ZINC000247396012 383169478 /nfs/dbraw/zinc/16/94/78/383169478.db2.gz WNBVGNIWTUOFRL-OLZOCXBDSA-N 1 1 277.437 2.830 20 30 CFEDMO C=CC[N@H+](C[C@@H]1CCC[C@@H](CC)C1)[C@H]1CCS(=O)(=O)C1 ZINC000248494155 383250476 /nfs/dbraw/zinc/25/04/76/383250476.db2.gz PREOOYHDAYRFOL-OAGGEKHMSA-N 1 1 299.480 2.878 20 30 CFEDMO C=C(C)C(C)(C)C(=O)N1CC[N@@H+](CCOC)[C@@H](CCC)C1 ZINC000424753790 383252011 /nfs/dbraw/zinc/25/20/11/383252011.db2.gz ZGOIYXPPFGNAEN-HNNXBMFYSA-N 1 1 296.455 2.548 20 30 CFEDMO CCC[C@H]1CCCC[N@H+]1CC(=O)N[C@](C)(C#N)C(C)C ZINC000248574876 383262881 /nfs/dbraw/zinc/26/28/81/383262881.db2.gz GYAVNLUQTUNTKH-GOEBONIOSA-N 1 1 279.428 2.695 20 30 CFEDMO C=CCN(CC=C)C(=O)C[N@H+](C(CC)CC)C1CC1 ZINC000520596916 383265419 /nfs/dbraw/zinc/26/54/19/383265419.db2.gz JUDLZWQUDVJWLY-UHFFFAOYSA-N 1 1 264.413 2.840 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000248617960 383271981 /nfs/dbraw/zinc/27/19/81/383271981.db2.gz JPRLGLQRYRMQMM-SOUVJXGZSA-N 1 1 264.413 2.531 20 30 CFEDMO N#Cc1cnc(N[C@@H]2CC[N@H+](C3CCCC3)C2)c(F)c1 ZINC000520757880 383272656 /nfs/dbraw/zinc/27/26/56/383272656.db2.gz BLQDIXRTCRDHNS-GFCCVEGCSA-N 1 1 274.343 2.521 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000248624460 383273420 /nfs/dbraw/zinc/27/34/20/383273420.db2.gz NEUBMUSYEPLGOI-CABCVRRESA-N 1 1 266.429 2.825 20 30 CFEDMO C[C@H](C#N)CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248654952 383279035 /nfs/dbraw/zinc/27/90/35/383279035.db2.gz WAFCJCKICZDWQZ-BZZMCLGOSA-N 1 1 283.419 2.646 20 30 CFEDMO C=CCC(CC=C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248184219 383217969 /nfs/dbraw/zinc/21/79/69/383217969.db2.gz XATWQIGIQLLANE-JKSUJKDBSA-N 1 1 276.424 2.698 20 30 CFEDMO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000424658595 383222579 /nfs/dbraw/zinc/22/25/79/383222579.db2.gz GVIYVLFTKFAKNQ-OKILXGFUSA-N 1 1 266.429 2.968 20 30 CFEDMO C=CCOc1ccc(C[N@H+](C(C)C)C2COC2)cc1 ZINC000449351395 383233409 /nfs/dbraw/zinc/23/34/09/383233409.db2.gz OZYJHQVWUFLMAL-UHFFFAOYSA-N 1 1 261.365 2.861 20 30 CFEDMO CC(C)[C@@H]1C[N@H+](Cc2cccc(F)c2C#N)CCCO1 ZINC000339815473 383327448 /nfs/dbraw/zinc/32/74/48/383327448.db2.gz AXEVYVIDIBPLLH-INIZCTEOSA-N 1 1 276.355 2.944 20 30 CFEDMO CC(C)[C@@H]1C[N@@H+](Cc2cccc(F)c2C#N)CCCO1 ZINC000339815473 383327453 /nfs/dbraw/zinc/32/74/53/383327453.db2.gz AXEVYVIDIBPLLH-INIZCTEOSA-N 1 1 276.355 2.944 20 30 CFEDMO C=CCC(C)(C)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000339856446 383340853 /nfs/dbraw/zinc/34/08/53/383340853.db2.gz LHLHKLPBLRXLAI-UHFFFAOYSA-N 1 1 252.402 2.531 20 30 CFEDMO C=CCCCCCN(C)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000466780242 383343972 /nfs/dbraw/zinc/34/39/72/383343972.db2.gz TYUWQPOTAKDUPO-GOEBONIOSA-N 1 1 293.455 2.857 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)c2ncc3c(c2C#N)CCC3)C[C@@H]1C ZINC000425231136 383343999 /nfs/dbraw/zinc/34/39/99/383343999.db2.gz MSSMRGAJTYLGGD-ZFWWWQNUSA-N 1 1 298.434 2.751 20 30 CFEDMO C[C@H]1C[N@H+]2CCCC[C@@H]2CN1c1ncc2c(c1C#N)CCC2 ZINC000425228429 383344216 /nfs/dbraw/zinc/34/42/16/383344216.db2.gz KDWTUZMTBGXTMU-DZGCQCFKSA-N 1 1 296.418 2.505 20 30 CFEDMO CC(C)[C@@H](C)[N@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459303507 383283416 /nfs/dbraw/zinc/28/34/16/383283416.db2.gz LAAZDMXQXBNBFP-LLVKDONJSA-N 1 1 261.325 2.943 20 30 CFEDMO CC(C)[C@@H](C)[N@@H+](C)Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459303507 383283421 /nfs/dbraw/zinc/28/34/21/383283421.db2.gz LAAZDMXQXBNBFP-LLVKDONJSA-N 1 1 261.325 2.943 20 30 CFEDMO C[C@@H]1CCCC[N@@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459310805 383284430 /nfs/dbraw/zinc/28/44/30/383284430.db2.gz RJHSTFCGPHFCHM-LLVKDONJSA-N 1 1 259.309 2.841 20 30 CFEDMO C[C@@H]1CCCC[N@H+]1Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459310805 383284435 /nfs/dbraw/zinc/28/44/35/383284435.db2.gz RJHSTFCGPHFCHM-LLVKDONJSA-N 1 1 259.309 2.841 20 30 CFEDMO C=CCCCCC[N@@H+]1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000248746040 383287294 /nfs/dbraw/zinc/28/72/94/383287294.db2.gz SZGFYNQIHNRVSX-ZIAGYGMSSA-N 1 1 253.386 2.864 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](CO)[C@H]1CC ZINC000449430335 383290765 /nfs/dbraw/zinc/29/07/65/383290765.db2.gz VZEWRZNULYZIIJ-HZPDHXFCSA-N 1 1 275.392 2.844 20 30 CFEDMO Cn1cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)cc1C#N ZINC000248813252 383293009 /nfs/dbraw/zinc/29/30/09/383293009.db2.gz DCAZLEBQKZFRED-GOEBONIOSA-N 1 1 299.374 2.578 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCCC[C@H]1O ZINC000248846896 383297486 /nfs/dbraw/zinc/29/74/86/383297486.db2.gz NKDPBISFWBXEJU-GDBMZVCRSA-N 1 1 276.355 2.680 20 30 CFEDMO C[N@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CCCC[C@H]1O ZINC000248846897 383297600 /nfs/dbraw/zinc/29/76/00/383297600.db2.gz NKDPBISFWBXEJU-GOEBONIOSA-N 1 1 276.355 2.680 20 30 CFEDMO CC#CC[N@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000339756248 383306616 /nfs/dbraw/zinc/30/66/16/383306616.db2.gz MMRHZNVIDOFZHH-ZIAGYGMSSA-N 1 1 290.432 2.755 20 30 CFEDMO CC#CC[N@@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000339756248 383306621 /nfs/dbraw/zinc/30/66/21/383306621.db2.gz MMRHZNVIDOFZHH-ZIAGYGMSSA-N 1 1 290.432 2.755 20 30 CFEDMO COc1cncc(/C=C\CC[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000567759877 383313794 /nfs/dbraw/zinc/31/37/94/383313794.db2.gz FFTSNZQNOGLULU-AGLBCWCQSA-N 1 1 259.353 2.585 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@@H](O)CC2)c(OC(F)F)c1 ZINC000339782660 383317082 /nfs/dbraw/zinc/31/70/82/383317082.db2.gz SUVLHVODLWZTBY-CYBMUJFWSA-N 1 1 296.317 2.506 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c(OC(F)F)c1 ZINC000339782660 383317087 /nfs/dbraw/zinc/31/70/87/383317087.db2.gz SUVLHVODLWZTBY-CYBMUJFWSA-N 1 1 296.317 2.506 20 30 CFEDMO CCc1nnc([C@H](C)[NH+]2CCC(CCC#N)CC2)o1 ZINC000567791217 383317146 /nfs/dbraw/zinc/31/71/46/383317146.db2.gz KSEVAEUKJCAWEZ-NSHDSACASA-N 1 1 262.357 2.709 20 30 CFEDMO CC(C)(CO)[C@@H]([NH2+]C[C@H](C#N)CCC#N)c1ccccc1 ZINC000567874542 383324821 /nfs/dbraw/zinc/32/48/21/383324821.db2.gz QIBIELLJDBAQTP-HOCLYGCPSA-N 1 1 285.391 2.779 20 30 CFEDMO C=C[C@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000426054046 383394370 /nfs/dbraw/zinc/39/43/70/383394370.db2.gz FGSFSNJMZJYDLY-HOTGVXAUSA-N 1 1 293.455 2.714 20 30 CFEDMO C=CCCCC[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000568474739 383405552 /nfs/dbraw/zinc/40/55/52/383405552.db2.gz ODYBEURDCLTLFL-KKUMJFAQSA-N 1 1 253.386 2.611 20 30 CFEDMO CC1=CC[N@@H+](CCNc2cccc(C#N)c2[N+](=O)[O-])CC1 ZINC000450434872 383410008 /nfs/dbraw/zinc/41/00/08/383410008.db2.gz BSXJXJSPZLWZDX-UHFFFAOYSA-N 1 1 286.335 2.530 20 30 CFEDMO CC(C)[N@H+](C)C[C@H](C)Nc1ncc2c(c1C#N)CCC2 ZINC000425266151 383353926 /nfs/dbraw/zinc/35/39/26/383353926.db2.gz GZYDZTCOOQRKNK-LBPRGKRZSA-N 1 1 272.396 2.583 20 30 CFEDMO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN(C(C)(C)C)CC1 ZINC000449546671 383354276 /nfs/dbraw/zinc/35/42/76/383354276.db2.gz CZYYBDGJQYKKNQ-CABCVRRESA-N 1 1 266.429 2.573 20 30 CFEDMO CCN(C[C@H](C)C#N)C(=O)C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000249705118 383356849 /nfs/dbraw/zinc/35/68/49/383356849.db2.gz AFLPITKPRSHWPG-RBSFLKMASA-N 1 1 279.428 2.505 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000449790965 383366452 /nfs/dbraw/zinc/36/64/52/383366452.db2.gz MZRDJBOWUUHLCA-OAHLLOKOSA-N 1 1 275.392 2.846 20 30 CFEDMO C=CCC1(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CCCC1 ZINC000449885925 383369653 /nfs/dbraw/zinc/36/96/53/383369653.db2.gz IEFVRSPSETYQSX-CABCVRRESA-N 1 1 276.424 2.818 20 30 CFEDMO N#CCCC[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000568181642 383370021 /nfs/dbraw/zinc/37/00/21/383370021.db2.gz ZBPBSPXNWMAQTD-WKILWMFISA-N 1 1 288.391 2.801 20 30 CFEDMO C[C@H](CCNC(=O)[C@]1(C#N)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000450022614 383377317 /nfs/dbraw/zinc/37/73/17/383377317.db2.gz YPCNSPUMVCRWEF-RKVPGOIHSA-N 1 1 299.418 2.563 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H]1C ZINC000250576857 383377711 /nfs/dbraw/zinc/37/77/11/383377711.db2.gz ZVFUQSDHWLMOGO-OLZOCXBDSA-N 1 1 271.364 2.617 20 30 CFEDMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)cc2)[C@H]1C ZINC000250576861 383377817 /nfs/dbraw/zinc/37/78/17/383377817.db2.gz ZVFUQSDHWLMOGO-STQMWFEESA-N 1 1 271.364 2.617 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N[C@@H](C)c1ccc(CC)cc1 ZINC000481228688 383424091 /nfs/dbraw/zinc/42/40/91/383424091.db2.gz NNSJBYLBTHQTRB-AWEZNQCLSA-N 1 1 274.408 2.934 20 30 CFEDMO Cc1cc(C)c(C#N)c(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000252673794 383426615 /nfs/dbraw/zinc/42/66/15/383426615.db2.gz MJAHVYCSGNNBPM-KGLIPLIRSA-N 1 1 270.380 2.609 20 30 CFEDMO C[C@H]1CCCC[N@@H+]1CCCCNC[C@@H](C#N)CCC#N ZINC000568750627 383432349 /nfs/dbraw/zinc/43/23/49/383432349.db2.gz BFAPQILGEPGGQF-JKSUJKDBSA-N 1 1 276.428 2.674 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCCCNC[C@@H](C#N)CCC#N ZINC000568750627 383432353 /nfs/dbraw/zinc/43/23/53/383432353.db2.gz BFAPQILGEPGGQF-JKSUJKDBSA-N 1 1 276.428 2.674 20 30 CFEDMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)NC2(C#N)CCC2)c1 ZINC000526135938 383433790 /nfs/dbraw/zinc/43/37/90/383433790.db2.gz XCFLRZFCIZEWGW-INIZCTEOSA-N 1 1 297.402 2.694 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000253088522 383443151 /nfs/dbraw/zinc/44/31/51/383443151.db2.gz FKRCHBAZOUXMGF-ZACQAIPSSA-N 1 1 270.376 2.684 20 30 CFEDMO C[N@H+]1CCC[C@@H](CNC(=O)C[C@H](CC#N)c2ccccc2)C1 ZINC000526996312 383446310 /nfs/dbraw/zinc/44/63/10/383446310.db2.gz KJIYPJZRNOTPLK-RDJZCZTQSA-N 1 1 299.418 2.532 20 30 CFEDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1cccc(F)c1C#N ZINC000428300438 383446425 /nfs/dbraw/zinc/44/64/25/383446425.db2.gz MIKHWOWENYXYBM-INIZCTEOSA-N 1 1 276.355 2.824 20 30 CFEDMO COCC1(C)CC[NH+](Cc2cccc(F)c2C#N)CC1 ZINC000428302025 383446503 /nfs/dbraw/zinc/44/65/03/383446503.db2.gz QDAARZQKRJAJOX-UHFFFAOYSA-N 1 1 276.355 2.946 20 30 CFEDMO CC[C@](C)([NH2+]CCCCC(C)(C)C#N)C(=O)OC ZINC000428303342 383446949 /nfs/dbraw/zinc/44/69/49/383446949.db2.gz SLZAUTHZTZREAA-AWEZNQCLSA-N 1 1 254.374 2.638 20 30 CFEDMO C=CCC1(C(=O)N(C)CC[N@@H+](C)C2CC2)CCCC1 ZINC000450696432 383482000 /nfs/dbraw/zinc/48/20/00/383482000.db2.gz GMRZKASTIBNQDH-UHFFFAOYSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CCCCCC[N@H+]1CCC[C@H]1C(=O)N1CCSCC1 ZINC000487871544 383482018 /nfs/dbraw/zinc/48/20/18/383482018.db2.gz AKJHMVVLWNNCFG-HNNXBMFYSA-N 1 1 296.480 2.773 20 30 CFEDMO C[N@@H+](CC1CC1)C[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC000483964992 383452520 /nfs/dbraw/zinc/45/25/20/383452520.db2.gz LXSFHEVOYYAYKS-IBGZPJMESA-N 1 1 282.431 2.702 20 30 CFEDMO C[N@@H+](Cc1cccc(F)c1C#N)[C@@H](CO)C(C)(C)C ZINC000428394416 383466207 /nfs/dbraw/zinc/46/62/07/383466207.db2.gz UYKALFNSZIGUNI-AWEZNQCLSA-N 1 1 264.344 2.536 20 30 CFEDMO CCCCC[C@@H]1CCC[N@H+]1CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000486790899 383475673 /nfs/dbraw/zinc/47/56/73/383475673.db2.gz ZYNCFCOBCUUORC-WBVHZDCISA-N 1 1 291.439 2.840 20 30 CFEDMO C[C@@H](C#N)CN(CC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000450611390 383477667 /nfs/dbraw/zinc/47/76/67/383477667.db2.gz INJJMURXMOEQOY-HNNXBMFYSA-N 1 1 271.408 2.742 20 30 CFEDMO CC[C@H](C(=O)N[C@@]1(C#N)CC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000427897465 383417652 /nfs/dbraw/zinc/41/76/52/383417652.db2.gz RIBBIWNXBHHJRK-CRAIPNDOSA-N 1 1 299.418 2.705 20 30 CFEDMO C=CCCCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000569865583 383545832 /nfs/dbraw/zinc/54/58/32/383545832.db2.gz ZTEKFSFFKJLRHM-HZPDHXFCSA-N 1 1 293.455 2.859 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CCOC)[C@@H]1CCC[C@@H]1C ZINC000488020070 383488318 /nfs/dbraw/zinc/48/83/18/383488318.db2.gz BESRHQDSTUYZTL-JKSUJKDBSA-N 1 1 296.455 2.548 20 30 CFEDMO C[C@H]1CCC[C@@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)C1 ZINC000340812907 383495518 /nfs/dbraw/zinc/49/55/18/383495518.db2.gz FFEVORPDFCGNEV-WMLDXEAASA-N 1 1 299.418 2.685 20 30 CFEDMO C[C@H]1CCC[C@H]([N@@H+](C)CC(=O)NCc2cccc(C#N)c2)C1 ZINC000340812918 383495788 /nfs/dbraw/zinc/49/57/88/383495788.db2.gz FFEVORPDFCGNEV-YOEHRIQHSA-N 1 1 299.418 2.685 20 30 CFEDMO CC(C)CO[C@@H]1CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000340923819 383505589 /nfs/dbraw/zinc/50/55/89/383505589.db2.gz XSTDVXZFAZNLEX-OAHLLOKOSA-N 1 1 276.355 2.944 20 30 CFEDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000340923819 383505594 /nfs/dbraw/zinc/50/55/94/383505594.db2.gz XSTDVXZFAZNLEX-OAHLLOKOSA-N 1 1 276.355 2.944 20 30 CFEDMO CC#CCC[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000429240562 383506578 /nfs/dbraw/zinc/50/65/78/383506578.db2.gz JMVOQUQGAJIECA-AWEZNQCLSA-N 1 1 260.356 2.750 20 30 CFEDMO C=CCn1c(C)cc(C(=O)C[N@@H+](C)C(C)(C)COC)c1C ZINC000429242280 383507377 /nfs/dbraw/zinc/50/73/77/383507377.db2.gz RIAFWVJYCIERKY-UHFFFAOYSA-N 1 1 292.423 2.830 20 30 CFEDMO C=CCn1c(C)cc(C(=O)C[N@H+](C)C(C)(C)COC)c1C ZINC000429242280 383507380 /nfs/dbraw/zinc/50/73/80/383507380.db2.gz RIAFWVJYCIERKY-UHFFFAOYSA-N 1 1 292.423 2.830 20 30 CFEDMO C=CCN(Cc1ccccc1F)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000635404348 383544504 /nfs/dbraw/zinc/54/45/04/383544504.db2.gz RYIZHFPBXHDKSY-ZIAGYGMSSA-N 1 1 299.349 2.867 20 30 CFEDMO C=C[C@H]1CCCC[N@@H+]1Cc1cnnn1Cc1ccccc1 ZINC000430069965 383588108 /nfs/dbraw/zinc/58/81/08/383588108.db2.gz JDUYYGDYGVJQHZ-INIZCTEOSA-N 1 1 282.391 2.867 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1Cc1cnnn1Cc1ccccc1 ZINC000430069965 383588112 /nfs/dbraw/zinc/58/81/12/383588112.db2.gz JDUYYGDYGVJQHZ-INIZCTEOSA-N 1 1 282.391 2.867 20 30 CFEDMO N#C[C@@H]1CC[C@H]([N@H+]2CC[C@@H](Nc3ccccc3)C2)C1 ZINC000429692533 383558819 /nfs/dbraw/zinc/55/88/19/383558819.db2.gz UAAOVXMVDIJWNX-BMFZPTHFSA-N 1 1 255.365 2.865 20 30 CFEDMO CC(C)CCO[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000429700451 383560874 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C[C@H]1CC[N@@H+](Cc2cnc3c(C#N)cnn3c2)CC12CCC2 ZINC000570843946 383641596 /nfs/dbraw/zinc/64/15/96/383641596.db2.gz WHBNTKISZLGWJX-ZDUSSCGKSA-N 1 1 295.390 2.613 20 30 CFEDMO CCO[C@H]1CC[N@H+](Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000451551469 383643935 /nfs/dbraw/zinc/64/39/35/383643935.db2.gz XXHIKVPBRNKDMI-LRDDRELGSA-N 1 1 276.355 2.944 20 30 CFEDMO CCO[C@H]1CC[N@@H+](Cc2ccc(F)cc2C#N)C[C@@H]1C ZINC000451551469 383643938 /nfs/dbraw/zinc/64/39/38/383643938.db2.gz XXHIKVPBRNKDMI-LRDDRELGSA-N 1 1 276.355 2.944 20 30 CFEDMO C=C[C@H]1CCCC[N@H+]1CCC(=O)Nc1sccc1C#N ZINC000489445438 383620111 /nfs/dbraw/zinc/62/01/11/383620111.db2.gz XVZBASREFBBNPZ-ZDUSSCGKSA-N 1 1 289.404 2.989 20 30 CFEDMO C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CC1(C)C ZINC000489476071 383623157 /nfs/dbraw/zinc/62/31/57/383623157.db2.gz TWRYWOQELQKQJX-CYBMUJFWSA-N 1 1 282.347 2.839 20 30 CFEDMO C[N@@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CC1(C)C ZINC000489476071 383623161 /nfs/dbraw/zinc/62/31/61/383623161.db2.gz 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Cc1cc([C@@H](C)[NH2+]Cc2ccc(CC#N)cc2)no1 ZINC000573141849 383881180 /nfs/dbraw/zinc/88/11/80/383881180.db2.gz VFHWJSAFSGWWMX-GFCCVEGCSA-N 1 1 255.321 2.900 20 30 CFEDMO N#CCSCCC[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000531201504 383832948 /nfs/dbraw/zinc/83/29/48/383832948.db2.gz ZNGJLADLOOLHOD-CQSZACIVSA-N 1 1 261.394 2.865 20 30 CFEDMO C=C[C@](C)(CCOC)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000437616078 383907609 /nfs/dbraw/zinc/90/76/09/383907609.db2.gz KFYTWZIVLJXTDD-ZMSDIMECSA-N 1 1 296.455 2.594 20 30 CFEDMO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H]1Cc1ccccc1 ZINC000437828385 383911452 /nfs/dbraw/zinc/91/14/52/383911452.db2.gz LMHUAYGJBJKOEY-FUHWJXTLSA-N 1 1 298.430 2.893 20 30 CFEDMO C=CCCC[N@@H+]1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC000265288456 383885074 /nfs/dbraw/zinc/88/50/74/383885074.db2.gz AEFCOLFYKLGGON-ZDUSSCGKSA-N 1 1 277.364 2.519 20 30 CFEDMO C=C(Cl)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000265779465 383997618 /nfs/dbraw/zinc/99/76/18/383997618.db2.gz IXWZZPRJWYYMLE-LBPRGKRZSA-N 1 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SDKLFXCNLRXCST-MRXNPFEDSA-N 1 1 293.455 2.881 20 30 CFEDMO C=C[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000637471563 384078043 /nfs/dbraw/zinc/07/80/43/384078043.db2.gz VXENNPNMPHQVED-GDBMZVCRSA-N 1 1 291.439 2.753 20 30 CFEDMO COC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)c1ccco1 ZINC000440620512 384114789 /nfs/dbraw/zinc/11/47/89/384114789.db2.gz DJJDTZYLKIUYBV-AWEZNQCLSA-N 1 1 286.331 2.637 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCC[C@H](c3ccncc3)C2)nc1 ZINC000574766794 384144020 /nfs/dbraw/zinc/14/40/20/384144020.db2.gz RYLXOVYXTSTUKQ-INIZCTEOSA-N 1 1 278.359 2.728 20 30 CFEDMO Cc1ccnc([C@@H]2CC[N@H+](C[C@H](C#N)CCC#N)C2)c1 ZINC000574999442 384174733 /nfs/dbraw/zinc/17/47/33/384174733.db2.gz FINFJCNRLNKHCQ-LSDHHAIUSA-N 1 1 268.364 2.623 20 30 CFEDMO Cc1ccnc([C@@H]2CC[N@@H+](C[C@H](C#N)CCC#N)C2)c1 ZINC000574999442 384174735 /nfs/dbraw/zinc/17/47/35/384174735.db2.gz FINFJCNRLNKHCQ-LSDHHAIUSA-N 1 1 268.364 2.623 20 30 CFEDMO CCC[N@@H+](CC)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000266564182 384199010 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C=CC[NH+](CC=C)[C@H](CN[C@H](C)c1cn[nH]c1)C(C)C ZINC000284277402 394136270 /nfs/dbraw/zinc/13/62/70/394136270.db2.gz XFLFPKXTOKWPOD-GDBMZVCRSA-N 1 1 276.428 2.759 20 30 CFEDMO Fc1ccc(C#CC[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000284676639 394138062 /nfs/dbraw/zinc/13/80/62/394138062.db2.gz HERHMKPDWVPTLU-SJORKVTESA-N 1 1 273.351 2.821 20 30 CFEDMO CC[C@](C)(C#N)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000285320461 394141060 /nfs/dbraw/zinc/14/10/60/394141060.db2.gz XIELCMPSOPZRGG-SJLPKXTDSA-N 1 1 299.418 2.707 20 30 CFEDMO CC#CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000285415356 394143278 /nfs/dbraw/zinc/14/32/78/394143278.db2.gz BPFMNNNSWWELPN-IKGGRYGDSA-N 1 1 255.361 2.514 20 30 CFEDMO C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc(C#N)c(Cl)c1 ZINC000443515756 394143250 /nfs/dbraw/zinc/14/32/50/394143250.db2.gz DHHLQNUCZNRTMJ-WDEREUQCSA-N 1 1 263.772 2.740 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)N(C)C[C@H]1CCC[N@H+]1C ZINC000420993630 394149062 /nfs/dbraw/zinc/14/90/62/394149062.db2.gz 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394201671 /nfs/dbraw/zinc/20/16/71/394201671.db2.gz KXPNDDGNJWXWGK-JSGCOSHPSA-N 1 1 290.432 2.918 20 30 CFEDMO C=CCN1CC[C@H]([N@H+]2CC(C)(C)[C@@H]2c2cccs2)C1=O ZINC000286927238 394201673 /nfs/dbraw/zinc/20/16/73/394201673.db2.gz KXPNDDGNJWXWGK-JSGCOSHPSA-N 1 1 290.432 2.918 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287269441 394203374 /nfs/dbraw/zinc/20/33/74/394203374.db2.gz HQJHZIUPWUSPOO-RHSMWYFYSA-N 1 1 297.402 2.564 20 30 CFEDMO CC(C)[C@H]1CC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000134982874 394208983 /nfs/dbraw/zinc/20/89/83/394208983.db2.gz FGLDSOIZKFIZCL-HNNXBMFYSA-N 1 1 258.365 2.915 20 30 CFEDMO C[N@@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364429401 394212843 /nfs/dbraw/zinc/21/28/43/394212843.db2.gz UJBSHDZCADGSBB-NUEKZKHPSA-N 1 1 288.366 2.943 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc(C#N)c1 ZINC000290150404 394226511 /nfs/dbraw/zinc/22/65/11/394226511.db2.gz GONNYZTUIILEBQ-ZDUSSCGKSA-N 1 1 288.395 2.800 20 30 CFEDMO COc1ccc(C)[nH+]c1NCc1cc(C#N)cs1 ZINC000150986647 394258141 /nfs/dbraw/zinc/25/81/41/394258141.db2.gz COMZWWMYKJEERE-UHFFFAOYSA-N 1 1 259.334 2.944 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)N[C@@](C)(C#N)C(C)(C)C)C1 ZINC000366036359 394238984 /nfs/dbraw/zinc/23/89/84/394238984.db2.gz BSPMQQZGVLASGV-HOTGVXAUSA-N 1 1 297.418 2.643 20 30 CFEDMO N#CC1(NC(=O)C[N@H+]2CCCC23CCCC3)CCCCC1 ZINC000366113119 394239630 /nfs/dbraw/zinc/23/96/30/394239630.db2.gz CEEZXUUTTUFIQN-UHFFFAOYSA-N 1 1 289.423 2.738 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000366178479 394240378 /nfs/dbraw/zinc/24/03/78/394240378.db2.gz LOUNTAVRKGDADC-FUHWJXTLSA-N 1 1 297.402 2.615 20 30 CFEDMO C[N@@H+](CCCCNC(=O)/C=C\c1ccc(C#N)cc1)C1CC1 ZINC000493447946 394245484 /nfs/dbraw/zinc/24/54/84/394245484.db2.gz HOZUJGJKEXDYLZ-FLIBITNWSA-N 1 1 297.402 2.562 20 30 CFEDMO C#CCC[N@H+](C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000366905733 394248732 /nfs/dbraw/zinc/24/87/32/394248732.db2.gz LZBWDGDSEWSLRG-UHFFFAOYSA-N 1 1 294.402 2.554 20 30 CFEDMO C=CCN(CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000367001021 394249510 /nfs/dbraw/zinc/24/95/10/394249510.db2.gz NGHLTHCBABBPFK-CVEARBPZSA-N 1 1 287.407 2.649 20 30 CFEDMO C=CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000150878858 394254385 /nfs/dbraw/zinc/25/43/85/394254385.db2.gz QQCLJOKDZPGMMX-OAHLLOKOSA-N 1 1 266.429 2.923 20 30 CFEDMO C[C@H]1CCCC[N@H+]1CCNc1nc(Cl)c(C#N)s1 ZINC000286053570 394184385 /nfs/dbraw/zinc/18/43/85/394184385.db2.gz HZQBPAVZZPLXDJ-VIFPVBQESA-N 1 1 284.816 2.954 20 30 CFEDMO C=C(Cl)C[NH2+][C@@H](C)c1cc(C(=O)OC)cs1 ZINC000286059047 394186083 /nfs/dbraw/zinc/18/60/83/394186083.db2.gz KOWUNVQBONODOG-QMMMGPOBSA-N 1 1 259.758 2.938 20 30 CFEDMO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2F)CCS1 ZINC000134343172 394193903 /nfs/dbraw/zinc/19/39/03/394193903.db2.gz NOBMUYKJQOLWIZ-SNVBAGLBSA-N 1 1 250.342 2.635 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2cc(C#N)ccc2F)CCS1 ZINC000134343172 394193908 /nfs/dbraw/zinc/19/39/08/394193908.db2.gz NOBMUYKJQOLWIZ-SNVBAGLBSA-N 1 1 250.342 2.635 20 30 CFEDMO COc1cc(C#N)ccc1OCC[N@H+]1C[C@H]2CCCC[C@H]21 ZINC000368074479 394266363 /nfs/dbraw/zinc/26/63/63/394266363.db2.gz VPCWBGVAZCHNIS-HUUCEWRRSA-N 1 1 286.375 2.820 20 30 CFEDMO CC[C@@H](NC[C@H](C)C[NH+](C)C)c1ccc(C#N)cc1 ZINC000293872122 394285750 /nfs/dbraw/zinc/28/57/50/394285750.db2.gz YGHSAJHSBJQNHQ-XJKSGUPXSA-N 1 1 259.397 2.797 20 30 CFEDMO CC[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(C#N)cc1 ZINC000293872122 394285753 /nfs/dbraw/zinc/28/57/53/394285753.db2.gz YGHSAJHSBJQNHQ-XJKSGUPXSA-N 1 1 259.397 2.797 20 30 CFEDMO C#CCOc1ccccc1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000294989556 394295894 /nfs/dbraw/zinc/29/58/94/394295894.db2.gz HIHWPLLFUVLWGM-GOSISDBHSA-N 1 1 295.382 2.864 20 30 CFEDMO C#CCC[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000372231966 394308550 /nfs/dbraw/zinc/30/85/50/394308550.db2.gz FADCGLNXZNKJIA-CQSZACIVSA-N 1 1 257.333 2.618 20 30 CFEDMO CC#CCC[N@H+](CC)C[C@H]1COc2ccccc2O1 ZINC000155028861 394308693 /nfs/dbraw/zinc/30/86/93/394308693.db2.gz CTPZFKRITWYGKT-AWEZNQCLSA-N 1 1 259.349 2.562 20 30 CFEDMO C=CC[N@@H+]1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 ZINC000155102475 394310658 /nfs/dbraw/zinc/31/06/58/394310658.db2.gz ZQBFVRUMXUROIO-ZDUSSCGKSA-N 1 1 276.380 2.766 20 30 CFEDMO C[C@@H](NCC1(C#N)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000450731431 394328937 /nfs/dbraw/zinc/32/89/37/394328937.db2.gz ZYJKKMZJWYCPIK-CABCVRRESA-N 1 1 275.440 2.923 20 30 CFEDMO Cc1ccsc1[C@H](CO)[NH2+]Cc1cccc(C#N)c1F ZINC000494630192 394361286 /nfs/dbraw/zinc/36/12/86/394361286.db2.gz IYNYFYWCTGRURT-ZDUSSCGKSA-N 1 1 290.363 2.891 20 30 CFEDMO N#Cc1cccnc1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000528112889 394392870 /nfs/dbraw/zinc/39/28/70/394392870.db2.gz FTRBFPHXUREPHB-HNNXBMFYSA-N 1 1 270.380 2.772 20 30 CFEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CCCc1cncn1C ZINC000518790458 394371818 /nfs/dbraw/zinc/37/18/18/394371818.db2.gz GPGAIUQSOFQJNA-AWEZNQCLSA-N 1 1 282.391 2.917 20 30 CFEDMO N#CCC[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1 ZINC000519637424 394372866 /nfs/dbraw/zinc/37/28/66/394372866.db2.gz IXEPLIXQZXNWMF-JTQLQIEISA-N 1 1 267.735 2.561 20 30 CFEDMO COc1cc(C#N)ccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000451655110 394377456 /nfs/dbraw/zinc/37/74/56/394377456.db2.gz QAWBKAIOGKFUTJ-HNNXBMFYSA-N 1 1 288.416 2.894 20 30 CFEDMO N#Cc1c2c(cnc1NC[C@H]1CC[N@H+]1C1CCCC1)CCC2 ZINC000528212264 394403376 /nfs/dbraw/zinc/40/33/76/394403376.db2.gz SGEFZEXIWFSTOD-OAHLLOKOSA-N 1 1 296.418 2.871 20 30 CFEDMO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc(CC)[nH+]c(C)n1 ZINC000280746198 542914660 /nfs/dbraw/zinc/91/46/60/542914660.db2.gz LVFWHLPNAJMMAH-DOMZBBRYSA-N 1 1 261.369 2.741 20 30 CFEDMO C=C(C)[C@H]1OCC[C@@H]1CNc1cc(CC)[nH+]c(C)n1 ZINC000280746200 542914904 /nfs/dbraw/zinc/91/49/04/542914904.db2.gz LVFWHLPNAJMMAH-IUODEOHRSA-N 1 1 261.369 2.741 20 30 CFEDMO C[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000537294776 394579304 /nfs/dbraw/zinc/57/93/04/394579304.db2.gz DZJMOLLTCDNWBO-ZIAGYGMSSA-N 1 1 257.381 2.551 20 30 CFEDMO C[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccc(C#N)cc1 ZINC000537294776 394579307 /nfs/dbraw/zinc/57/93/07/394579307.db2.gz DZJMOLLTCDNWBO-ZIAGYGMSSA-N 1 1 257.381 2.551 20 30 CFEDMO C[C@H]([NH2+]Cc1ncccc1F)c1cccc(C#N)c1 ZINC000530524245 394525199 /nfs/dbraw/zinc/52/51/99/394525199.db2.gz YQXMCHAIAHZKPH-NSHDSACASA-N 1 1 255.296 2.943 20 30 CFEDMO CC[C@H](C)[N@@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000535207398 394532335 /nfs/dbraw/zinc/53/23/35/394532335.db2.gz QGHPXCLLEQBEIQ-NSHDSACASA-N 1 1 260.337 2.575 20 30 CFEDMO COC(=O)c1cccc(C[N@H+]2CCCC2(C)C)c1C#N ZINC000535205418 394532444 /nfs/dbraw/zinc/53/24/44/394532444.db2.gz ISISIOLIPWBNCU-UHFFFAOYSA-N 1 1 272.348 2.719 20 30 CFEDMO COC(=O)c1cccc(C[N@@H+](C)C(C2CC2)C2CC2)c1C#N ZINC000535921869 394549516 /nfs/dbraw/zinc/54/95/16/394549516.db2.gz GAJKXASQCPMUHH-UHFFFAOYSA-N 1 1 298.386 2.965 20 30 CFEDMO C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(C#N)c(F)c1 ZINC000540705162 394651683 /nfs/dbraw/zinc/65/16/83/394651683.db2.gz BMIOJRTZPRVAQA-CHWSQXEVSA-N 1 1 275.371 2.690 20 30 CFEDMO C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(C#N)c(F)c1 ZINC000540705162 394651690 /nfs/dbraw/zinc/65/16/90/394651690.db2.gz BMIOJRTZPRVAQA-CHWSQXEVSA-N 1 1 275.371 2.690 20 30 CFEDMO COC(=O)c1cccc(C[N@H+]2CCCC[C@H](C)C2)c1C#N ZINC000548163864 394916191 /nfs/dbraw/zinc/91/61/91/394916191.db2.gz RQASHLJSDVSFCG-ZDUSSCGKSA-N 1 1 286.375 2.967 20 30 CFEDMO CC[C@@H]([NH2+]Cc1nnc(C)s1)c1ccc(C#N)cc1 ZINC000556078098 394989322 /nfs/dbraw/zinc/98/93/22/394989322.db2.gz QOTXHRLOPFFUBS-CYBMUJFWSA-N 1 1 272.377 2.959 20 30 CFEDMO CCCC[N@@H+](C)C[C@H](C)Nc1ccc(Cl)c(C#N)n1 ZINC000558050011 395051381 /nfs/dbraw/zinc/05/13/81/395051381.db2.gz AQNXWADJSDLLPL-NSHDSACASA-N 1 1 280.803 2.561 20 30 CFEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000558652412 395069066 /nfs/dbraw/zinc/06/90/66/395069066.db2.gz QJEFDSPTPXKGQQ-HNNXBMFYSA-N 1 1 299.418 2.639 20 30 CFEDMO C=CCOCCC[N@H+]1CCO[C@](C)(c2ccccc2)C1 ZINC000564747505 395082093 /nfs/dbraw/zinc/08/20/93/395082093.db2.gz MISLBIVJBSEVFT-KRWDZBQOSA-N 1 1 275.392 2.827 20 30 CFEDMO C[C@@H](NCC1(C#N)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567774060 395083602 /nfs/dbraw/zinc/08/36/02/395083602.db2.gz PUZMDBNMGJJEAJ-WBVHZDCISA-N 1 1 283.419 2.790 20 30 CFEDMO Cc1ncccc1C[N@@H+](C)CCOCc1ccc(C#N)cc1 ZINC000574608069 395089510 /nfs/dbraw/zinc/08/95/10/395089510.db2.gz ZJTPDKXYAMIDBQ-UHFFFAOYSA-N 1 1 295.386 2.910 20 30 CFEDMO Cc1nsc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1C#N ZINC000557674369 395043772 /nfs/dbraw/zinc/04/37/72/395043772.db2.gz RYHYBUBTMQDHGN-LBPRGKRZSA-N 1 1 278.425 2.856 20 30 CFEDMO C=C(C)CN1CCC([NH2+]Cc2ccnn2CC(C)C)CC1 ZINC000647181140 395205412 /nfs/dbraw/zinc/20/54/12/395205412.db2.gz LMNNTWNRYITLHW-UHFFFAOYSA-N 1 1 290.455 2.669 20 30 CFEDMO C=CCN(CC=C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648713117 395281238 /nfs/dbraw/zinc/28/12/38/395281238.db2.gz ITDHZGYTPQFYPH-ZDUSSCGKSA-N 1 1 261.369 2.597 20 30 CFEDMO C=CCOc1cccc(CN(C2CC2)C2CC[NH2+]CC2)c1 ZINC000647483064 395355889 /nfs/dbraw/zinc/35/58/89/395355889.db2.gz WFSAKXPIGBOMSM-UHFFFAOYSA-N 1 1 286.419 2.968 20 30 CFEDMO C=C(C)[C@@H](CO)[N@H+](C)Cc1cc(Cl)ccc1OC ZINC000649222740 395454120 /nfs/dbraw/zinc/45/41/20/395454120.db2.gz SCDVGXFFFNIKKC-CYBMUJFWSA-N 1 1 269.772 2.717 20 30 CFEDMO C=C(C)[C@H](CO)[N@@H+]1CC=C(c2ccc(F)cc2)CC1 ZINC000649225548 395455003 /nfs/dbraw/zinc/45/50/03/395455003.db2.gz LOAKTMNNVDOMKT-INIZCTEOSA-N 1 1 261.340 2.852 20 30 CFEDMO CC(C)O[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1 ZINC000649702506 395555098 /nfs/dbraw/zinc/55/50/98/395555098.db2.gz FVUICCCYVYQGPH-QGZVFWFLSA-N 1 1 257.377 2.928 20 30 CFEDMO C=C(C)CN1CCO[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000649748626 395565296 /nfs/dbraw/zinc/56/52/96/395565296.db2.gz AUMBSENWDBJWJW-ZWKOTPCHSA-N 1 1 286.419 2.538 20 30 CFEDMO C=CCC[C@H](O)C[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000649834231 395578674 /nfs/dbraw/zinc/57/86/74/395578674.db2.gz GNXYPNSBWDDTEJ-ZBFHGGJFSA-N 1 1 259.393 2.975 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1CCc2ccccc2[C@H](C)C1 ZINC000649834228 395579006 /nfs/dbraw/zinc/57/90/06/395579006.db2.gz GNXYPNSBWDDTEJ-GDBMZVCRSA-N 1 1 259.393 2.975 20 30 CFEDMO C=C(C)C[N@@H+](C)C[C@H](O)COc1cc(C)ccc1Cl ZINC000183801396 543040527 /nfs/dbraw/zinc/04/05/27/543040527.db2.gz MXWMUSVKNCCZKN-ZDUSSCGKSA-N 1 1 283.799 2.896 20 30 CFEDMO C=C(CC)C[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000313482156 413096315 /nfs/dbraw/zinc/09/63/15/413096315.db2.gz MCLAKNOAMKNRLB-CYBMUJFWSA-N 1 1 283.368 2.600 20 30 CFEDMO C=C[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000426380497 397573448 /nfs/dbraw/zinc/57/34/48/397573448.db2.gz LLQDIZQPXHPUCP-ZBFHGGJFSA-N 1 1 291.439 2.753 20 30 CFEDMO C#C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)(C)C ZINC000491692121 397581894 /nfs/dbraw/zinc/58/18/94/397581894.db2.gz QJKWTPIMMPDWSI-GJZGRUSLSA-N 1 1 276.424 2.558 20 30 CFEDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(C#N)cc1C ZINC000307764002 397645455 /nfs/dbraw/zinc/64/54/55/397645455.db2.gz KTRIWKIOBUBOID-MRXNPFEDSA-N 1 1 258.365 2.868 20 30 CFEDMO CC[N@@H+](CCCCC#N)CC(=O)Nc1ccccc1OC ZINC000198680935 397614023 /nfs/dbraw/zinc/61/40/23/397614023.db2.gz WRWUZZHJNFNEIY-UHFFFAOYSA-N 1 1 289.379 2.649 20 30 CFEDMO CC(C)[N@@H+](C)CCCN[C@@H](C)c1ccc(C#N)cc1 ZINC000224589063 397622936 /nfs/dbraw/zinc/62/29/36/397622936.db2.gz SYRMAVFKZGNGMG-AWEZNQCLSA-N 1 1 259.397 2.939 20 30 CFEDMO CC(C)[N@@H+](C)CCCN[C@@H](C)c1cccc(C#N)c1 ZINC000224589514 397623018 /nfs/dbraw/zinc/62/30/18/397623018.db2.gz IAFAKXGKANWFTH-AWEZNQCLSA-N 1 1 259.397 2.939 20 30 CFEDMO CC[N@@H+](CCCO)Cc1ccc(C#N)cc1C(F)(F)F ZINC000356120460 155165588 /nfs/dbraw/zinc/16/55/88/155165588.db2.gz DDXITWFYNQBIQU-UHFFFAOYSA-N 1 1 286.297 2.781 20 30 CFEDMO CCSCC[C@@H](C)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356120485 155166071 /nfs/dbraw/zinc/16/60/71/155166071.db2.gz DJWYTTDZQLNHMM-SNVBAGLBSA-N 1 1 269.439 2.978 20 30 CFEDMO CCSCC[C@@H](C)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356120485 155166073 /nfs/dbraw/zinc/16/60/73/155166073.db2.gz DJWYTTDZQLNHMM-SNVBAGLBSA-N 1 1 269.439 2.978 20 30 CFEDMO CC[C@H](CSC)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356306330 155218419 /nfs/dbraw/zinc/21/84/19/155218419.db2.gz QWMRNYNYMKQFGB-SNVBAGLBSA-N 1 1 255.412 2.588 20 30 CFEDMO CC[C@H](CSC)[N@@H+](C)Cc1nc(C#N)cs1 ZINC000356306330 155218421 /nfs/dbraw/zinc/21/84/21/155218421.db2.gz QWMRNYNYMKQFGB-SNVBAGLBSA-N 1 1 255.412 2.588 20 30 CFEDMO C=CCN(C)CC[N@H+](CC)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000411638591 413234437 /nfs/dbraw/zinc/23/44/37/413234437.db2.gz BZXAOTZRDMBFAO-FUHWJXTLSA-N 1 1 290.451 2.591 20 30 CFEDMO C=CC[N@@H+](C)CCN(CC)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000411638591 413234449 /nfs/dbraw/zinc/23/44/49/413234449.db2.gz BZXAOTZRDMBFAO-FUHWJXTLSA-N 1 1 290.451 2.591 20 30 CFEDMO C=CC[N@H+](C)CCN(CC)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000411638591 413234458 /nfs/dbraw/zinc/23/44/58/413234458.db2.gz BZXAOTZRDMBFAO-FUHWJXTLSA-N 1 1 290.451 2.591 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)C[C@@H]1CO ZINC000356400329 155254702 /nfs/dbraw/zinc/25/47/02/155254702.db2.gz UVAFJEPTBSPEOV-GXFFZTMASA-N 1 1 298.308 2.637 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2CCO)c(C(F)(F)F)c1 ZINC000356420677 155259012 /nfs/dbraw/zinc/25/90/12/155259012.db2.gz SVVVKXHHGZPNMW-CYBMUJFWSA-N 1 1 298.308 2.924 20 30 CFEDMO C[C@H](CNCc1ccc(C#N)o1)[N@H+]1CCCC[C@H]1C ZINC000343277913 154166435 /nfs/dbraw/zinc/16/64/35/154166435.db2.gz HYZRUDVJPKUNLS-CHWSQXEVSA-N 1 1 261.369 2.504 20 30 CFEDMO C[C@H](C[NH2+]Cc1ccc(C#N)o1)N1CCCC[C@H]1C ZINC000343277913 154166437 /nfs/dbraw/zinc/16/64/37/154166437.db2.gz HYZRUDVJPKUNLS-CHWSQXEVSA-N 1 1 261.369 2.504 20 30 CFEDMO C=CCCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000660403547 413292156 /nfs/dbraw/zinc/29/21/56/413292156.db2.gz PTQOSVXCHDYHAB-CQSZACIVSA-N 1 1 267.417 2.516 20 30 CFEDMO CC(=O)NCCC[N@@H+](Cc1ccc(C#N)cc1)CC(C)C ZINC000348119217 154328036 /nfs/dbraw/zinc/32/80/36/154328036.db2.gz NNPJTUDSJNFJFC-UHFFFAOYSA-N 1 1 287.407 2.542 20 30 CFEDMO CCC[N@@H+](C)CC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000355457489 155013635 /nfs/dbraw/zinc/01/36/35/155013635.db2.gz PMJWOADTXAUXJW-UHFFFAOYSA-N 1 1 289.379 2.626 20 30 CFEDMO COCC#CC[N@@H+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000657110750 413310549 /nfs/dbraw/zinc/31/05/49/413310549.db2.gz PKJGISVRPKPPIY-DLBZAZTESA-N 1 1 257.377 2.904 20 30 CFEDMO C=CCCC(C)(C)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000663684637 413317183 /nfs/dbraw/zinc/31/71/83/413317183.db2.gz VRVBZLBINVNTCY-ZIAGYGMSSA-N 1 1 279.428 2.657 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000360144285 156033376 /nfs/dbraw/zinc/03/33/76/156033376.db2.gz UYKYHSOMUIZXNM-ZIAGYGMSSA-N 1 1 287.407 2.508 20 30 CFEDMO CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)c2cccc(C#N)c2)C1 ZINC000360152923 156035415 /nfs/dbraw/zinc/03/54/15/156035415.db2.gz ZOVVDEJAXJFODG-GOEBONIOSA-N 1 1 299.418 2.510 20 30 CFEDMO COc1cc(C#N)cc(OCCCn2cc[nH+]c2C)c1 ZINC000362755400 156081050 /nfs/dbraw/zinc/08/10/50/156081050.db2.gz HQLPCYUESHIRLT-UHFFFAOYSA-N 1 1 271.320 2.541 20 30 CFEDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#N)c(C)c1 ZINC000362960542 156129134 /nfs/dbraw/zinc/12/91/34/156129134.db2.gz OVYJVYCAAYMLMX-XJKSGUPXSA-N 1 1 258.365 2.866 20 30 CFEDMO N#Cc1cccc(OCC[N@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000363491713 156177284 /nfs/dbraw/zinc/17/72/84/156177284.db2.gz WMYBFUUTIDRSTQ-OAHLLOKOSA-N 1 1 256.349 2.669 20 30 CFEDMO C[C@@H](F)CC[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000367540938 156348030 /nfs/dbraw/zinc/34/80/30/156348030.db2.gz RKWDNNHXZOYRGN-CQSZACIVSA-N 1 1 275.371 2.818 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000657209030 413337957 /nfs/dbraw/zinc/33/79/57/413337957.db2.gz OKJIMZFKVNQQBB-WBVHZDCISA-N 1 1 273.376 2.862 20 30 CFEDMO COC[C@@H]1CCCC[N@@H+](CCOc2ccccc2C#N)C1 ZINC000372096890 156851883 /nfs/dbraw/zinc/85/18/83/156851883.db2.gz VFPAPPZNKLTCJT-OAHLLOKOSA-N 1 1 288.391 2.686 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CCCO[C@@H]3CCC[C@@H]32)s1 ZINC000374255311 157089740 /nfs/dbraw/zinc/08/97/40/157089740.db2.gz QDGBDMVITWAAKO-UONOGXRCSA-N 1 1 262.378 2.763 20 30 CFEDMO N#Cc1cccc(NC(=O)C[N@H+]2C[C@@H]3CCCCC[C@H]32)c1 ZINC000374552143 157127678 /nfs/dbraw/zinc/12/76/78/157127678.db2.gz YXBLGBYOMZFHNO-GOEBONIOSA-N 1 1 283.375 2.761 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c(F)c1 ZINC000375280501 157217146 /nfs/dbraw/zinc/21/71/46/157217146.db2.gz QXMVJJCRNSWXHM-INIZCTEOSA-N 1 1 274.339 2.700 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375277404 157217908 /nfs/dbraw/zinc/21/79/08/157217908.db2.gz JFLRNCVWMOGGBB-KRWDZBQOSA-N 1 1 286.375 2.569 20 30 CFEDMO C=CCCC(C)(C)NC(=O)NCCCn1cc[nH+]c1C ZINC000663735912 413347430 /nfs/dbraw/zinc/34/74/30/413347430.db2.gz IISGUDKMTAAEMX-UHFFFAOYSA-N 1 1 278.400 2.626 20 30 CFEDMO N#Cc1ccccc1C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000376495479 157363105 /nfs/dbraw/zinc/36/31/05/157363105.db2.gz OKWZKZDHSRXKKL-QGZVFWFLSA-N 1 1 270.376 2.949 20 30 CFEDMO N#Cc1ccccc1C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000376495479 157363108 /nfs/dbraw/zinc/36/31/08/157363108.db2.gz OKWZKZDHSRXKKL-QGZVFWFLSA-N 1 1 270.376 2.949 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H](OCCC)CC2)nn1 ZINC000653554456 413363956 /nfs/dbraw/zinc/36/39/56/413363956.db2.gz FAOOEJMGSHMMOW-MRXNPFEDSA-N 1 1 292.427 2.635 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CCC[C@@H](OCCC)CC2)nn1 ZINC000653554456 413363963 /nfs/dbraw/zinc/36/39/63/413363963.db2.gz FAOOEJMGSHMMOW-MRXNPFEDSA-N 1 1 292.427 2.635 20 30 CFEDMO C=CCCn1cc(C[N@@H+]2CCCC(C)(C)CC2)nn1 ZINC000653559148 413368084 /nfs/dbraw/zinc/36/80/84/413368084.db2.gz KUZXWHBPWXJEMA-UHFFFAOYSA-N 1 1 262.401 2.866 20 30 CFEDMO C=CCCn1cc(C[N@H+]2CCC[C@@H]3CCC[C@H]32)nn1 ZINC000653559823 413370114 /nfs/dbraw/zinc/37/01/14/413370114.db2.gz WPLCHYYDCIPIFM-DZGCQCFKSA-N 1 1 260.385 2.619 20 30 CFEDMO C=CCCn1cc(C[N@H+](CC)C[C@H](C)CC)nn1 ZINC000653564550 413376055 /nfs/dbraw/zinc/37/60/55/413376055.db2.gz BOZRJXICEVQLQG-CYBMUJFWSA-N 1 1 250.390 2.722 20 30 CFEDMO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000660570520 413403699 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HAWYXKKLLQAKFF-UHFFFAOYSA-N 1 1 289.354 2.583 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCCC#N ZINC000292120309 263128635 /nfs/dbraw/zinc/12/86/35/263128635.db2.gz NAVWXWIGHWYOFP-DOTOQJQBSA-N 1 1 299.418 2.707 20 30 CFEDMO N#CCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000292245959 263129994 /nfs/dbraw/zinc/12/99/94/263129994.db2.gz GSRJTONNXYOPPX-KRWDZBQOSA-N 1 1 299.418 2.851 20 30 CFEDMO COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC000292716193 263134358 /nfs/dbraw/zinc/13/43/58/263134358.db2.gz AFFVXCGFLVSVSS-BLLLJJGKSA-N 1 1 284.359 2.524 20 30 CFEDMO Cc1ccccc1[C@H]1C[N@H+](CCOCCC#N)[C@H](C)CO1 ZINC000292841300 263135595 /nfs/dbraw/zinc/13/55/95/263135595.db2.gz PREOSAFFPFWUFE-NVXWUHKLSA-N 1 1 288.391 2.687 20 30 CFEDMO Cc1ccccc1[C@H]1C[N@@H+](CCOCCC#N)[C@H](C)CO1 ZINC000292841300 263135596 /nfs/dbraw/zinc/13/55/96/263135596.db2.gz PREOSAFFPFWUFE-NVXWUHKLSA-N 1 1 288.391 2.687 20 30 CFEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)Cc1ccc(F)cc1 ZINC000292985118 263136851 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C[N@@H+](CCCCC#N)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296333915 263190198 /nfs/dbraw/zinc/19/01/98/263190198.db2.gz PMIWMBHIZXJHRJ-AWEZNQCLSA-N 1 1 266.772 2.999 20 30 CFEDMO Cc1ccccc1[C@H](C)[N@@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000298846634 263227013 /nfs/dbraw/zinc/22/70/13/263227013.db2.gz KGYPFHBSZQTHNR-KSSFIOAISA-N 1 1 299.418 2.796 20 30 CFEDMO CCc1ccc([C@@H](COC)[NH2+][C@H](C)CCC#N)o1 ZINC000299147491 263231779 /nfs/dbraw/zinc/23/17/79/263231779.db2.gz WSRDVAUOMXCAHD-DGCLKSJQSA-N 1 1 250.342 2.811 20 30 CFEDMO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000299317148 263239251 /nfs/dbraw/zinc/23/92/51/263239251.db2.gz JGTMLCBMARVDRJ-SJLPKXTDSA-N 1 1 299.418 2.530 20 30 CFEDMO C=CCOc1cccc(C[NH2+][C@H](CN)C(C)(C)C)c1 ZINC000415050077 263255820 /nfs/dbraw/zinc/25/58/20/263255820.db2.gz IGLVCHASCNFKAO-OAHLLOKOSA-N 1 1 262.397 2.714 20 30 CFEDMO CC(C)(C#N)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000374252036 263260403 /nfs/dbraw/zinc/26/04/03/263260403.db2.gz 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C=CCCC[C@@H](C)[NH+]1CCN(CC2CCOCC2)CC1 ZINC000340903215 263309078 /nfs/dbraw/zinc/30/90/78/263309078.db2.gz MTPHJVKPPDSPKC-MRXNPFEDSA-N 1 1 280.456 2.775 20 30 CFEDMO N#CCCC[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341944924 263368091 /nfs/dbraw/zinc/36/80/91/263368091.db2.gz SWHOQFMKTJAMAV-UHFFFAOYSA-N 1 1 258.365 2.565 20 30 CFEDMO COCC1(C#N)CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000341978490 263369670 /nfs/dbraw/zinc/36/96/70/263369670.db2.gz NJBCLTJKDDJPKW-UHFFFAOYSA-N 1 1 292.354 2.586 20 30 CFEDMO C=C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2C)CC1 ZINC000341979703 263369793 /nfs/dbraw/zinc/36/97/93/263369793.db2.gz FXYANRNOXYGOQQ-INIZCTEOSA-N 1 1 286.419 2.994 20 30 CFEDMO C=C1CC[NH+]([C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000341994002 263372921 /nfs/dbraw/zinc/37/29/21/263372921.db2.gz DUTNKZIQZQSVOJ-BLZCZZARSA-N 1 1 264.413 2.722 20 30 CFEDMO C=C1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000341996478 263373606 /nfs/dbraw/zinc/37/36/06/263373606.db2.gz QSFOXLDLSXYLKA-AWEZNQCLSA-N 1 1 258.365 2.974 20 30 CFEDMO C=C1CC[NH+]([C@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000341995763 263373743 /nfs/dbraw/zinc/37/37/43/263373743.db2.gz QMJDOTWOYPECCX-OAHLLOKOSA-N 1 1 272.392 2.652 20 30 CFEDMO CC#CCCCC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000342008490 263377356 /nfs/dbraw/zinc/37/73/56/263377356.db2.gz IXDZSBLSRBCSKH-MRXNPFEDSA-N 1 1 278.440 2.807 20 30 CFEDMO C=CCCN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000342043942 263383211 /nfs/dbraw/zinc/38/32/11/263383211.db2.gz VERZTMAEPFDJFJ-INIZCTEOSA-N 1 1 272.392 2.686 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000342045049 263383327 /nfs/dbraw/zinc/38/33/27/263383327.db2.gz WZLPQMJUNOYPCN-KGLIPLIRSA-N 1 1 264.413 2.722 20 30 CFEDMO C=C(C)C[C@H](C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000342037430 263385621 /nfs/dbraw/zinc/38/56/21/263385621.db2.gz HJALWBAESRSXBH-AVOUXACISA-N 1 1 264.413 2.720 20 30 CFEDMO C=CCOc1ccc(C[NH2+]Cc2cn(C(C)C)nn2)cc1 ZINC000342105890 263388143 /nfs/dbraw/zinc/38/81/43/263388143.db2.gz POZXGKYLQJAMOB-UHFFFAOYSA-N 1 1 286.379 2.714 20 30 CFEDMO C=CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000342739977 263471993 /nfs/dbraw/zinc/47/19/93/263471993.db2.gz XRZDRHYUBHPEJS-GFCCVEGCSA-N 1 1 264.344 2.969 20 30 CFEDMO C#Cc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000934931237 649856888 /nfs/dbraw/zinc/85/68/88/649856888.db2.gz IWVIYYKKDQXAPJ-NVXWUHKLSA-N 1 1 297.402 2.616 20 30 CFEDMO COC(=O)c1oc(C[NH+]2CCC(C)(C#N)CC2)cc1C ZINC000330777856 264034964 /nfs/dbraw/zinc/03/49/64/264034964.db2.gz KQPVGRDGQUQCSI-UHFFFAOYSA-N 1 1 276.336 2.500 20 30 CFEDMO CCc1nc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)co1 ZINC000330856335 264055050 /nfs/dbraw/zinc/05/50/50/264055050.db2.gz SIXXOBOYXKSYMA-GFCCVEGCSA-N 1 1 279.384 2.662 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000330852005 264068327 /nfs/dbraw/zinc/06/83/27/264068327.db2.gz QLTHDAKVHIAPJI-VYDXJSESSA-N 1 1 291.439 2.717 20 30 CFEDMO C=CCN(Cc1ccccc1)C(=O)C[N@H+](C)C(C)C ZINC000126158722 264121719 /nfs/dbraw/zinc/12/17/19/264121719.db2.gz XTTCWQPFIPNRID-UHFFFAOYSA-N 1 1 260.381 2.541 20 30 CFEDMO CCOc1nccc(C)c1C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000331213333 264163614 /nfs/dbraw/zinc/16/36/14/264163614.db2.gz LRGLKRKGKKSUEI-CYBMUJFWSA-N 1 1 291.395 2.578 20 30 CFEDMO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000331333499 264193082 /nfs/dbraw/zinc/19/30/82/264193082.db2.gz VZYNADZTFFGBRG-VXGBXAGGSA-N 1 1 291.351 2.691 20 30 CFEDMO C=CCc1cc(C[NH+]2CCSCC2)cc(OC)c1O ZINC000126186712 264211485 /nfs/dbraw/zinc/21/14/85/264211485.db2.gz IFQSTNHWKKJBOI-UHFFFAOYSA-N 1 1 279.405 2.678 20 30 CFEDMO C[C@H](CNC(=O)c1cccc(CC#N)c1)[N@H+]1CCC[C@H](C)C1 ZINC000334006689 264232389 /nfs/dbraw/zinc/23/23/89/264232389.db2.gz BMNPLPUPRGGDFJ-LSDHHAIUSA-N 1 1 299.418 2.603 20 30 CFEDMO C=CC[NH+](CC=C)[C@@H](CNCc1cnc(C)nc1)C(C)C ZINC000343270851 264291195 /nfs/dbraw/zinc/29/11/95/264291195.db2.gz GSNCCGKIZZEUFJ-KRWDZBQOSA-N 1 1 288.439 2.573 20 30 CFEDMO COC(=O)[C@H](CC[N@H+](C)[C@@H](C)CC#N)c1ccccc1 ZINC000425425813 264313651 /nfs/dbraw/zinc/31/36/51/264313651.db2.gz RICPEXCVGNSUCT-DZGCQCFKSA-N 1 1 274.364 2.567 20 30 CFEDMO COC(=O)[C@H](CC[N@@H+](C)[C@@H](C)CC#N)c1ccccc1 ZINC000425425813 264313654 /nfs/dbraw/zinc/31/36/54/264313654.db2.gz RICPEXCVGNSUCT-DZGCQCFKSA-N 1 1 274.364 2.567 20 30 CFEDMO COc1ccccc1[C@H]1CC[N@H+](CC2(C#N)CC2)C1 ZINC000343318339 264787879 /nfs/dbraw/zinc/78/78/79/264787879.db2.gz GKPWLQWWWHCBKI-ZDUSSCGKSA-N 1 1 256.349 2.788 20 30 CFEDMO COc1ccccc1[C@H]1CC[N@@H+](CC2(C#N)CC2)C1 ZINC000343318339 264787882 /nfs/dbraw/zinc/78/78/82/264787882.db2.gz GKPWLQWWWHCBKI-ZDUSSCGKSA-N 1 1 256.349 2.788 20 30 CFEDMO C=C[C@H]1CCCCN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000426081195 264914858 /nfs/dbraw/zinc/91/48/58/264914858.db2.gz ZSRMMILHDQBHBL-PNRVRQOCSA-N 1 1 291.439 2.752 20 30 CFEDMO C[C@@H](CC#N)[N@@H+](C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195167879 265304103 /nfs/dbraw/zinc/30/41/03/265304103.db2.gz GJMLAOGQVHJISO-BBRMVZONSA-N 1 1 295.427 2.867 20 30 CFEDMO CC[C@H](C)Oc1cc(C[NH2+]C[C@H](C#N)CCC#N)ccn1 ZINC000519770246 265601683 /nfs/dbraw/zinc/60/16/83/265601683.db2.gz SILWBNDLYGRHNE-ZFWWWQNUSA-N 1 1 286.379 2.792 20 30 CFEDMO CC[N@@H+](CC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000192847012 266104168 /nfs/dbraw/zinc/10/41/68/266104168.db2.gz MXKDVAPXGXFELN-UHFFFAOYSA-N 1 1 297.402 2.534 20 30 CFEDMO CC[C@@H](C(=O)NCC1(CC#N)CC1)[N@@H+](C)Cc1ccccc1 ZINC000356379533 266104854 /nfs/dbraw/zinc/10/48/54/266104854.db2.gz UIJXBBZKAJHFJT-INIZCTEOSA-N 1 1 299.418 2.707 20 30 CFEDMO CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(C)(C#N)CC1 ZINC000356436794 266112882 /nfs/dbraw/zinc/11/28/82/266112882.db2.gz SSMRBAXVCQDPLW-UHFFFAOYSA-N 1 1 299.418 2.661 20 30 CFEDMO CC[N@@H+](C[C@@H]1CCOC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000336801221 266132906 /nfs/dbraw/zinc/13/29/06/266132906.db2.gz PGLKZPUXRBQJIU-ZFWWWQNUSA-N 1 1 258.365 2.978 20 30 CFEDMO C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)[C@@H](C)C[N@H+]1C ZINC000356587750 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CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)N(C)C1(C#N)CCCCC1 ZINC000357524222 266315585 /nfs/dbraw/zinc/31/55/85/266315585.db2.gz BLIMNPZYWUBTHN-HUUCEWRRSA-N 1 1 291.439 2.934 20 30 CFEDMO C=CCc1ccccc1OC[C@H](O)C[N@@H+](CC=C)C1CC1 ZINC000357556460 266323558 /nfs/dbraw/zinc/32/35/58/266323558.db2.gz UQSOCFBXVZMKML-QGZVFWFLSA-N 1 1 287.403 2.805 20 30 CFEDMO C=CC[N@@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C1CC1 ZINC000357554699 266323591 /nfs/dbraw/zinc/32/35/91/266323591.db2.gz RVXJSSQMPLHFFE-VNHYZAJKSA-N 1 1 264.413 2.578 20 30 CFEDMO C=CC[N@H+](CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)C1CC1 ZINC000357554699 266323592 /nfs/dbraw/zinc/32/35/92/266323592.db2.gz RVXJSSQMPLHFFE-VNHYZAJKSA-N 1 1 264.413 2.578 20 30 CFEDMO C=CC[N@@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000357554928 266323990 /nfs/dbraw/zinc/32/39/90/266323990.db2.gz SYRSALACEZGHKO-LBPRGKRZSA-N 1 1 276.355 2.653 20 30 CFEDMO C=CC[N@H+](CC(=O)N[C@@H](C)c1ccc(F)cc1)C1CC1 ZINC000357554928 266323992 /nfs/dbraw/zinc/32/39/92/266323992.db2.gz 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CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(C#N)cn2)cn1 ZINC000577284921 324719286 /nfs/dbraw/zinc/71/92/86/324719286.db2.gz ZIVDAKKICTUGTG-GFCCVEGCSA-N 1 1 269.352 2.581 20 30 CFEDMO C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2cnc3c(C#N)cnn3c2)C1 ZINC000580075483 325004736 /nfs/dbraw/zinc/00/47/36/325004736.db2.gz BMUYDHWZQDDBPG-CHWSQXEVSA-N 1 1 283.379 2.611 20 30 CFEDMO C[N@@H+](CCOc1ccc(F)cc1)Cc1ccc(C#N)cn1 ZINC000582039361 325171032 /nfs/dbraw/zinc/17/10/32/325171032.db2.gz GEOGCTWALMKSFL-UHFFFAOYSA-N 1 1 285.322 2.603 20 30 CFEDMO N#Cc1cnc(C[N@@H+]2CCCC3(CCCCC3)C2)nc1 ZINC000583253755 325272372 /nfs/dbraw/zinc/27/23/72/325272372.db2.gz NUBRFQCWKOFHEL-UHFFFAOYSA-N 1 1 270.380 2.895 20 30 CFEDMO N#Cc1cnc(C[N@H+]2CCCC3(CCCCC3)C2)nc1 ZINC000583253755 325272376 /nfs/dbraw/zinc/27/23/76/325272376.db2.gz NUBRFQCWKOFHEL-UHFFFAOYSA-N 1 1 270.380 2.895 20 30 CFEDMO CC[N@@H+](Cc1ccc(C#N)cn1)[C@H]1CCOC(C)(C)C1 ZINC000583701682 325305189 /nfs/dbraw/zinc/30/51/89/325305189.db2.gz XEKSKNIQMDSAGF-HNNXBMFYSA-N 1 1 273.380 2.733 20 30 CFEDMO N#CCC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125772845 326882893 /nfs/dbraw/zinc/88/28/93/326882893.db2.gz DEYGLQCUYGMYIN-UHFFFAOYSA-N 1 1 258.365 2.624 20 30 CFEDMO CC(C)OCCC[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000343525672 327033257 /nfs/dbraw/zinc/03/32/57/327033257.db2.gz JJSARBWFXVORKT-UHFFFAOYSA-N 1 1 260.381 3.000 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000558506897 327099804 /nfs/dbraw/zinc/09/98/04/327099804.db2.gz UTLLQWOFUCUUEK-CQSZACIVSA-N 1 1 298.390 2.936 20 30 CFEDMO N#CCC[C@H](C#N)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000558677851 327113800 /nfs/dbraw/zinc/11/38/00/327113800.db2.gz LQPSJKJBFSDHOK-GFCCVEGCSA-N 1 1 252.321 2.701 20 30 CFEDMO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+]1CCCC(C)(C)CC1 ZINC000127048974 327148904 /nfs/dbraw/zinc/14/89/04/327148904.db2.gz FIPURRMYSPKCEX-PBHICJAKSA-N 1 1 293.455 2.941 20 30 CFEDMO CCc1nc(N2CCC(CCC#N)CC2)cc(C)[nH+]1 ZINC000566159965 327150731 /nfs/dbraw/zinc/15/07/31/327150731.db2.gz UKPLUVIIMNBHSU-UHFFFAOYSA-N 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BGRGYUALFZXIMS-CQSZACIVSA-N 1 1 279.428 2.505 20 30 CFEDMO COC(=O)C1([NH2+]CCCCC#N)CCCCCC1 ZINC000154817019 327387685 /nfs/dbraw/zinc/38/76/85/327387685.db2.gz KOMULHMHUNTDQR-UHFFFAOYSA-N 1 1 252.358 2.536 20 30 CFEDMO Clc1cccc(C#CCSCC[NH+]2CCOCC2)c1 ZINC000159767033 327563392 /nfs/dbraw/zinc/56/33/92/327563392.db2.gz VBCHHEITQRCVBO-UHFFFAOYSA-N 1 1 295.835 2.757 20 30 CFEDMO Cc1cccc(CC2(O)CC[NH+](CC3(C#N)CC3)CC2)c1 ZINC000361385893 328922429 /nfs/dbraw/zinc/92/24/29/328922429.db2.gz TUENSIAUBXTQAS-UHFFFAOYSA-N 1 1 284.403 2.668 20 30 CFEDMO C=C(C)C[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000377507318 329017036 /nfs/dbraw/zinc/01/70/36/329017036.db2.gz YGMRLJXSZWYBCR-INIZCTEOSA-N 1 1 263.356 2.629 20 30 CFEDMO C=CCN(C(=O)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377573570 329019306 /nfs/dbraw/zinc/01/93/06/329019306.db2.gz OZEMYAWYRIYGNQ-KRWDZBQOSA-N 1 1 284.403 2.686 20 30 CFEDMO N#CCCCOc1cccc(C[N@@H+]2CCN3CCC2CC3)c1 ZINC000377621510 329021143 /nfs/dbraw/zinc/02/11/43/329021143.db2.gz GVGKAKJQGKQBGC-UHFFFAOYSA-N 1 1 299.418 2.649 20 30 CFEDMO N#CCCCOc1cccc(C[N@H+]2CCN3CCC2CC3)c1 ZINC000377621510 329021145 /nfs/dbraw/zinc/02/11/45/329021145.db2.gz GVGKAKJQGKQBGC-UHFFFAOYSA-N 1 1 299.418 2.649 20 30 CFEDMO CC(C)[C@]1(CO)CC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000377644146 329022629 /nfs/dbraw/zinc/02/26/29/329022629.db2.gz DXHQOALVXVXBAD-OAHLLOKOSA-N 1 1 252.402 2.657 20 30 CFEDMO C[N@H+]1CC[C@H]2CCN(CC#Cc3ccc(Cl)cc3)C[C@@H]21 ZINC000378455106 329051149 /nfs/dbraw/zinc/05/11/49/329051149.db2.gz OMMCXFKQPBVYIQ-RDJZCZTQSA-N 1 1 288.822 2.718 20 30 CFEDMO C=CC[NH+](CC=C)[C@H](CNCc1cnc(C)n1C)C(C)C ZINC000584362287 329103114 /nfs/dbraw/zinc/10/31/14/329103114.db2.gz TVFDLWUMLKKVCU-QGZVFWFLSA-N 1 1 290.455 2.517 20 30 CFEDMO C=CC1CCN(C(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000173434134 329146991 /nfs/dbraw/zinc/14/69/91/329146991.db2.gz GAGGOOVAXPTLFL-UHFFFAOYSA-N 1 1 290.411 2.579 20 30 CFEDMO C=C(C)C[NH+]1CCN(c2cc(F)ccc2F)CC1 ZINC000177634236 329187952 /nfs/dbraw/zinc/18/79/52/329187952.db2.gz RFSADQNSLGVMJI-UHFFFAOYSA-N 1 1 252.308 2.663 20 30 CFEDMO C=CCCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000178573140 329200756 /nfs/dbraw/zinc/20/07/56/329200756.db2.gz JQWLSXQGADRUNR-ZBFHGGJFSA-N 1 1 276.424 2.818 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000181272544 329228880 /nfs/dbraw/zinc/22/88/80/329228880.db2.gz ZCHYHNDPMNTBCF-ROKHWSDSSA-N 1 1 252.402 2.578 20 30 CFEDMO C=C(C)C[N@@H+](C)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000181281461 329229165 /nfs/dbraw/zinc/22/91/65/329229165.db2.gz KRXSZKIIVHTQOK-LLVKDONJSA-N 1 1 250.317 2.661 20 30 CFEDMO C=C(C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000181281461 329229166 /nfs/dbraw/zinc/22/91/66/329229166.db2.gz KRXSZKIIVHTQOK-LLVKDONJSA-N 1 1 250.317 2.661 20 30 CFEDMO C=C(C)C[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000181306038 329230603 /nfs/dbraw/zinc/23/06/03/329230603.db2.gz ZNWSQZABHWIHMS-KGLIPLIRSA-N 1 1 260.381 2.760 20 30 CFEDMO 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CFEDMO Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C#N)cc1[N+](=O)[O-] ZINC000413162551 534002994 /nfs/dbraw/zinc/00/29/94/534002994.db2.gz OQRWYWUXZNLFCI-DGCLKSJQSA-N 1 1 288.351 2.670 20 30 CFEDMO C[C@H](C[N@@H+](CC1(C#N)CC1)[C@@H](C)CO)c1ccccc1 ZINC000347466997 534033588 /nfs/dbraw/zinc/03/35/88/534033588.db2.gz ZWKNCWDUGBJHDH-CABCVRRESA-N 1 1 272.392 2.777 20 30 CFEDMO O=C(Nc1nncn1C1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000329114638 534335038 /nfs/dbraw/zinc/33/50/38/534335038.db2.gz MFMDBLPHFZCNMT-CYBMUJFWSA-N 1 1 289.383 2.608 20 30 CFEDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000336100199 518708544 /nfs/dbraw/zinc/70/85/44/518708544.db2.gz IHBZULIZAIQORT-UHFFFAOYSA-N 1 1 291.420 2.566 20 30 CFEDMO CC(C)(C)[N@H+]1CCCN(C(=O)c2cscc2C#N)CC1 ZINC000335187154 518709525 /nfs/dbraw/zinc/70/95/25/518709525.db2.gz GWHXDZJEAKZCSD-UHFFFAOYSA-N 1 1 291.420 2.566 20 30 CFEDMO CC(C)[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(C#N)cc1 ZINC000063751111 519635769 /nfs/dbraw/zinc/63/57/69/519635769.db2.gz 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20 30 CFEDMO COC[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000162913696 522474790 /nfs/dbraw/zinc/47/47/90/522474790.db2.gz JEPDVSYXIGSHGF-GFCCVEGCSA-N 1 1 264.756 2.680 20 30 CFEDMO COc1cc(C[NH2+][C@@H](C)c2nccnc2C)ccc1C#N ZINC000353611433 522478311 /nfs/dbraw/zinc/47/83/11/522478311.db2.gz PKEIRUWRYMAEMF-LBPRGKRZSA-N 1 1 282.347 2.516 20 30 CFEDMO CCc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(C#N)o3)C2)n1 ZINC000360793122 522577722 /nfs/dbraw/zinc/57/77/22/522577722.db2.gz YWNSGTLVYWOGLC-CYBMUJFWSA-N 1 1 296.374 2.883 20 30 CFEDMO CCc1nnc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C#N)c1CC ZINC000317545498 522779841 /nfs/dbraw/zinc/77/98/41/522779841.db2.gz MBVYOUUIYORKRG-CHWSQXEVSA-N 1 1 299.422 2.512 20 30 CFEDMO CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1sccc1C#N ZINC000172831381 522936063 /nfs/dbraw/zinc/93/60/63/522936063.db2.gz IXXCDGZDVVGHSA-CYBMUJFWSA-N 1 1 291.420 2.566 20 30 CFEDMO C[N@@H+](CCc1ccncc1)Cc1cccc(C#N)c1F ZINC000227114493 522978127 /nfs/dbraw/zinc/97/81/27/522978127.db2.gz HNQSPEAYDDTYCO-UHFFFAOYSA-N 1 1 269.323 2.767 20 30 CFEDMO C[N@H+](Cc1ccc(Br)cc1C#N)[C@@H]1CCOC1 ZINC000310396145 523201529 /nfs/dbraw/zinc/20/15/29/523201529.db2.gz SNVQHFTWOMKZGG-CYBMUJFWSA-N 1 1 295.180 2.541 20 30 CFEDMO C[N@@H+](Cc1ccc(Br)cc1C#N)[C@@H]1CCOC1 ZINC000310396145 523201534 /nfs/dbraw/zinc/20/15/34/523201534.db2.gz SNVQHFTWOMKZGG-CYBMUJFWSA-N 1 1 295.180 2.541 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000156259941 523523582 /nfs/dbraw/zinc/52/35/82/523523582.db2.gz HBCRVPIXWMRAGG-CQSZACIVSA-N 1 1 296.374 2.670 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CCC[C@@](C)(OC)C1 ZINC000230265294 523524185 /nfs/dbraw/zinc/52/41/85/523524185.db2.gz HZUNIQGYXJOIFF-MRXNPFEDSA-N 1 1 274.364 2.568 20 30 CFEDMO COCC[N@@H+](CCc1ccncc1)Cc1ccc(C#N)cc1 ZINC000063754513 523728984 /nfs/dbraw/zinc/72/89/84/523728984.db2.gz XBPKLQWISOOTCT-UHFFFAOYSA-N 1 1 295.386 2.644 20 30 CFEDMO COCC[N@@H+](Cc1cc(C#N)n(C)c1)[C@@H]1CC[C@H](C)C1 ZINC000361644893 523739763 /nfs/dbraw/zinc/73/97/63/523739763.db2.gz BUQLQFVCFIRYGP-DZGCQCFKSA-N 1 1 275.396 2.534 20 30 CFEDMO C[N@H+]1CCC[C@H](CNc2ccc(C#N)cc2Cl)C1 ZINC000062791123 523840865 /nfs/dbraw/zinc/84/08/65/523840865.db2.gz QLXYNAFNNDLLCJ-GFCCVEGCSA-N 1 1 263.772 2.965 20 30 CFEDMO C[N@H+]1CCC[C@H]2CN(Cc3cccc(F)c3C#N)CC[C@H]21 ZINC000336452881 523858076 /nfs/dbraw/zinc/85/80/76/523858076.db2.gz ARENJFCRISNJPN-WMLDXEAASA-N 1 1 287.382 2.613 20 30 CFEDMO CN1CC[N@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000336471644 523909507 /nfs/dbraw/zinc/90/95/07/523909507.db2.gz KKFLAKKSXJIVEM-UHFFFAOYSA-N 1 1 267.332 2.603 20 30 CFEDMO CN1CC[N@@H+](Cc2ccc(C#N)o2)Cc2ccccc21 ZINC000336471644 523909509 /nfs/dbraw/zinc/90/95/09/523909509.db2.gz KKFLAKKSXJIVEM-UHFFFAOYSA-N 1 1 267.332 2.603 20 30 CFEDMO CO[C@H]1C[N@H+](Cc2cccc(F)c2C#N)CC[C@@H]1C ZINC000336312442 524007712 /nfs/dbraw/zinc/00/77/12/524007712.db2.gz REPRYORXNZOCTA-NHYWBVRUSA-N 1 1 262.328 2.554 20 30 CFEDMO CO[C@H]1C[N@@H+](Cc2cccc(F)c2C#N)CC[C@@H]1C ZINC000336312442 524007713 /nfs/dbraw/zinc/00/77/13/524007713.db2.gz REPRYORXNZOCTA-NHYWBVRUSA-N 1 1 262.328 2.554 20 30 CFEDMO COc1ccc(C[NH2+]C[C@H](C)C#N)cc1OC(F)F ZINC000054179192 524072081 /nfs/dbraw/zinc/07/20/81/524072081.db2.gz KSFNNNGRMSTMQZ-SECBINFHSA-N 1 1 270.279 2.546 20 30 CFEDMO C[C@@H](C1CCC1)[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000325507671 524334145 /nfs/dbraw/zinc/33/41/45/524334145.db2.gz DFNCHCQMTKPSPQ-LBPRGKRZSA-N 1 1 271.364 2.617 20 30 CFEDMO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@@H]1O ZINC000336400839 524615353 /nfs/dbraw/zinc/61/53/53/524615353.db2.gz USCRBTFIRNCETK-HZMBPMFUSA-N 1 1 298.308 2.780 20 30 CFEDMO C[C@H]1C[N@@H+](Cc2ccc(C#N)cc2C(F)(F)F)CC[C@@H]1O ZINC000336400839 524615359 /nfs/dbraw/zinc/61/53/59/524615359.db2.gz USCRBTFIRNCETK-HZMBPMFUSA-N 1 1 298.308 2.780 20 30 CFEDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)ccc1C#N ZINC000336302979 524681592 /nfs/dbraw/zinc/68/15/92/524681592.db2.gz QKBROONKDLMKDX-CZUORRHYSA-N 1 1 258.365 2.602 20 30 CFEDMO Cc1cc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)ccc1C#N ZINC000336482361 524687290 /nfs/dbraw/zinc/68/72/90/524687290.db2.gz WIYMRABAUGQPIJ-IRXDYDNUSA-N 1 1 270.376 2.868 20 30 CFEDMO C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1ccc(C#N)cc1 ZINC000361830392 524976515 /nfs/dbraw/zinc/97/65/15/524976515.db2.gz MDXXVDLRRZGQEN-OLMNPRSZSA-N 1 1 299.418 2.860 20 30 CFEDMO C[C@@H]1CN(Cc2cccc(C#N)c2F)CC[N@H+](C2CC2)C1 ZINC000336255216 525000816 /nfs/dbraw/zinc/00/08/16/525000816.db2.gz CEMYROFMLAHAJL-CYBMUJFWSA-N 1 1 287.382 2.613 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1ncccc1C#N ZINC000274191414 525011850 /nfs/dbraw/zinc/01/18/50/525011850.db2.gz QWFMCFMNTWGMMQ-RHSMWYFYSA-N 1 1 292.386 2.886 20 30 CFEDMO C[C@H]1[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000334782039 525081853 /nfs/dbraw/zinc/08/18/53/525081853.db2.gz SADUZVMQTVSMAB-CABZTGNLSA-N 1 1 271.286 2.669 20 30 CFEDMO C[C@]1(O)CCC[N@@H+](CCCOc2ccc(C#N)cc2)CC1 ZINC000230352707 525305620 /nfs/dbraw/zinc/30/56/20/525305620.db2.gz MWIGKSJEIXHCID-KRWDZBQOSA-N 1 1 288.391 2.564 20 30 CFEDMO C[C@@H]([C@@H]1Cc2ccccc2O1)[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000364716587 526021629 /nfs/dbraw/zinc/02/16/29/526021629.db2.gz GVEWEVPSTZXXEJ-UGSOOPFHSA-N 1 1 295.386 2.721 20 30 CFEDMO C=CC[N@H+](Cc1ccc(OC)cc1)[C@@H](CO)C(C)C ZINC000352699755 526341106 /nfs/dbraw/zinc/34/11/06/526341106.db2.gz FGDKACQHXGITRR-INIZCTEOSA-N 1 1 263.381 2.700 20 30 CFEDMO CC#CCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352825406 526364093 /nfs/dbraw/zinc/36/40/93/526364093.db2.gz PSSDPFBJGVNGJT-SFHVURJKSA-N 1 1 268.404 2.608 20 30 CFEDMO C=CC[N@H+](Cc1cccs1)[C@H](C)C(=O)NCCC ZINC000354560439 526379429 /nfs/dbraw/zinc/37/94/29/526379429.db2.gz MPRZAPSOKSRIHK-GFCCVEGCSA-N 1 1 266.410 2.651 20 30 CFEDMO C=CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)NCCC ZINC000354560439 526379435 /nfs/dbraw/zinc/37/94/35/526379435.db2.gz MPRZAPSOKSRIHK-GFCCVEGCSA-N 1 1 266.410 2.651 20 30 CFEDMO C=CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)NCC(C)C ZINC000354528604 526379852 /nfs/dbraw/zinc/37/98/52/526379852.db2.gz RYBREMHVBRCMTH-ZDUSSCGKSA-N 1 1 280.437 2.897 20 30 CFEDMO C=CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)NCC(C)C ZINC000354528604 526379855 /nfs/dbraw/zinc/37/98/55/526379855.db2.gz RYBREMHVBRCMTH-ZDUSSCGKSA-N 1 1 280.437 2.897 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000351933932 526520966 /nfs/dbraw/zinc/52/09/66/526520966.db2.gz FXNMOKSUMUACFJ-HNNXBMFYSA-N 1 1 296.455 2.691 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)CC1CC(OCC)C1 ZINC000352869811 526558138 /nfs/dbraw/zinc/55/81/38/526558138.db2.gz PQZQISHKVLDOQT-UHFFFAOYSA-N 1 1 293.407 2.965 20 30 CFEDMO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H]1CCO[C@H](C)C1 ZINC000352802950 526560405 /nfs/dbraw/zinc/56/04/05/526560405.db2.gz XDKLGRBMJAEJKI-CABCVRRESA-N 1 1 293.407 2.965 20 30 CFEDMO N#Cc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1F ZINC000191937957 526609142 /nfs/dbraw/zinc/60/91/42/526609142.db2.gz LOBARGJHJNFUND-ZDUSSCGKSA-N 1 1 274.339 2.698 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000336440210 526616750 /nfs/dbraw/zinc/61/67/50/526616750.db2.gz BBPRDCANJCQNNU-DZGCQCFKSA-N 1 1 274.339 2.556 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)cc1F ZINC000361834671 526617202 /nfs/dbraw/zinc/61/72/02/526617202.db2.gz WGZDPXPYIDNUQH-INIZCTEOSA-N 1 1 297.333 2.746 20 30 CFEDMO C=C(C)CNC(=O)[C@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000347463881 526621558 /nfs/dbraw/zinc/62/15/58/526621558.db2.gz OGAGCJYWODCBSP-WDEREUQCSA-N 1 1 292.345 2.588 20 30 CFEDMO Cc1noc([C@H]2CCC[N@@H+](Cc3cccc(C#N)c3)C2)n1 ZINC000054677113 526668765 /nfs/dbraw/zinc/66/87/65/526668765.db2.gz VCLHZRHSXCDOGK-HNNXBMFYSA-N 1 1 282.347 2.629 20 30 CFEDMO CC(C)(C)[C@@H]1CC[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H]1O ZINC000347804214 526673148 /nfs/dbraw/zinc/67/31/48/526673148.db2.gz ZISPQJVJGUPSQJ-SJORKVTESA-N 1 1 286.419 2.982 20 30 CFEDMO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC[N@@H+]1CCC ZINC000343557942 526699076 /nfs/dbraw/zinc/69/90/76/526699076.db2.gz GLRHTLGGAYABDX-ZIAGYGMSSA-N 1 1 252.402 2.579 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000335194372 526703127 /nfs/dbraw/zinc/70/31/27/526703127.db2.gz NWSKZPDAEWGUEB-INIZCTEOSA-N 1 1 256.349 2.559 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCO[C@H](C3CCC3)C2)c1 ZINC000335194372 526703132 /nfs/dbraw/zinc/70/31/32/526703132.db2.gz NWSKZPDAEWGUEB-INIZCTEOSA-N 1 1 256.349 2.559 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000335194377 526704150 /nfs/dbraw/zinc/70/41/50/526704150.db2.gz NWSKZPDAEWGUEB-MRXNPFEDSA-N 1 1 256.349 2.559 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)c1 ZINC000335194377 526704154 /nfs/dbraw/zinc/70/41/54/526704154.db2.gz NWSKZPDAEWGUEB-MRXNPFEDSA-N 1 1 256.349 2.559 20 30 CFEDMO N#Cc1cccc(C[N@@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000365850579 526705203 /nfs/dbraw/zinc/70/52/03/526705203.db2.gz YQYKGSARXYGVDZ-LJQANCHMSA-N 1 1 292.382 2.694 20 30 CFEDMO N#Cc1cccc(OCCC[N@H+](CCCCO)C2CC2)c1 ZINC000156499509 526726552 /nfs/dbraw/zinc/72/65/52/526726552.db2.gz VBHPDYXEFWYGIZ-UHFFFAOYSA-N 1 1 288.391 2.564 20 30 CFEDMO N#Cc1cccc([C@H]2C[N@H+](C[C@H]3CCSC3)CCO2)c1 ZINC000336350571 526731887 /nfs/dbraw/zinc/73/18/87/526731887.db2.gz GQNGBCABPWVWRQ-GDBMZVCRSA-N 1 1 288.416 2.685 20 30 CFEDMO N#Cc1cccc([C@H]2C[N@@H+](C[C@H]3CCSC3)CCO2)c1 ZINC000336350571 526731892 /nfs/dbraw/zinc/73/18/92/526731892.db2.gz GQNGBCABPWVWRQ-GDBMZVCRSA-N 1 1 288.416 2.685 20 30 CFEDMO C=CCOCCC[N@H+](C)Cc1ccc(F)cc1F ZINC000347968949 526748582 /nfs/dbraw/zinc/74/85/82/526748582.db2.gz RUJLCHAXBJZSKN-UHFFFAOYSA-N 1 1 255.308 2.989 20 30 CFEDMO N#Cc1nnc2ccccc2c1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000316608817 526800699 /nfs/dbraw/zinc/80/06/99/526800699.db2.gz IXBIIWGVASKOBJ-STQMWFEESA-N 1 1 293.374 2.540 20 30 CFEDMO C=CCOc1ccc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000347050717 526868326 /nfs/dbraw/zinc/86/83/26/526868326.db2.gz RDUIMIXXTOWWCS-GDBMZVCRSA-N 1 1 274.408 2.811 20 30 CFEDMO C=CCOc1cccc(CN2CC[N@H+](C)CC[C@H]2C)c1 ZINC000353436060 526900247 /nfs/dbraw/zinc/90/02/47/526900247.db2.gz NQKKEDKHSJKKAW-OAHLLOKOSA-N 1 1 274.408 2.777 20 30 CFEDMO C=CCOc1cccc(C[N@H+]2CCN(C)CC[C@H]2C)c1 ZINC000353436060 526900254 /nfs/dbraw/zinc/90/02/54/526900254.db2.gz NQKKEDKHSJKKAW-OAHLLOKOSA-N 1 1 274.408 2.777 20 30 CFEDMO C=CCOc1cccc(C[N@@H+]2CCN(C)CC[C@H]2C)c1 ZINC000353436060 526900256 /nfs/dbraw/zinc/90/02/56/526900256.db2.gz NQKKEDKHSJKKAW-OAHLLOKOSA-N 1 1 274.408 2.777 20 30 CFEDMO C=CCOc1cccc(C[NH2+]Cc2cnccc2OC)c1 ZINC000353610120 526903913 /nfs/dbraw/zinc/90/39/13/526903913.db2.gz SBWXHTUNFNKAHO-UHFFFAOYSA-N 1 1 284.359 2.945 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CC[C@H](C(=O)OC)[C@H]1C ZINC000347313442 526933279 /nfs/dbraw/zinc/93/32/79/526933279.db2.gz PNNOKZSWBFZRHR-HIFRSBDPSA-N 1 1 289.375 2.635 20 30 CFEDMO C=CCC1(C(=O)N2CC[N@H+](C)CC[C@@H]2C)CCCC1 ZINC000334647917 527043728 /nfs/dbraw/zinc/04/37/28/527043728.db2.gz WJOMCHBPQVNVQY-AWEZNQCLSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CC[C@@H](CC)NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000347755546 527044815 /nfs/dbraw/zinc/04/48/15/527044815.db2.gz SHTUHRSKJOBDNW-MRXNPFEDSA-N 1 1 289.423 2.772 20 30 CFEDMO C=CCCC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000355995684 527088739 /nfs/dbraw/zinc/08/87/39/527088739.db2.gz ZLOUAOYUYUWEHM-AWEZNQCLSA-N 1 1 264.413 2.723 20 30 CFEDMO C=CCCCC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000347418532 527106908 /nfs/dbraw/zinc/10/69/08/527106908.db2.gz FJKSLRQAFIOIGI-UHFFFAOYSA-N 1 1 252.402 2.581 20 30 CFEDMO C=CCCCC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344618714 527108819 /nfs/dbraw/zinc/10/88/19/527108819.db2.gz PUSKCYJFSPYCNG-ZDUSSCGKSA-N 1 1 252.402 2.579 20 30 CFEDMO C=CCCCCC[N@H+](C)CC(=O)N(C)CC1CC1 ZINC000351917348 527127013 /nfs/dbraw/zinc/12/70/13/527127013.db2.gz ADVQWLWNBBGRIJ-UHFFFAOYSA-N 1 1 252.402 2.533 20 30 CFEDMO C=CCCC[N@H+](C)CC(=O)Nc1ccc(F)cc1 ZINC000344601820 527192559 /nfs/dbraw/zinc/19/25/59/527192559.db2.gz OKAWOHLRYJFHMN-UHFFFAOYSA-N 1 1 250.317 2.662 20 30 CFEDMO Cn1cc(C[N@H+]2CC3(CCCC3)OC(C)(C)C2)cc1C#N ZINC000191541977 527195582 /nfs/dbraw/zinc/19/55/82/527195582.db2.gz NKNJXNFMWOHEJT-UHFFFAOYSA-N 1 1 287.407 2.820 20 30 CFEDMO Cn1cc(C[N@H+]2CCC[C@@H]2c2ccco2)cc1C#N ZINC000191351024 527202192 /nfs/dbraw/zinc/20/21/92/527202192.db2.gz UEZWXPJHWXNXNH-CQSZACIVSA-N 1 1 255.321 2.827 20 30 CFEDMO Cn1cc(C[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)cc1C#N ZINC000191474626 527205280 /nfs/dbraw/zinc/20/52/80/527205280.db2.gz XJLAHACJAKUMMJ-QGZVFWFLSA-N 1 1 299.349 2.689 20 30 CFEDMO C=CCCCNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000344472278 527222602 /nfs/dbraw/zinc/22/26/02/527222602.db2.gz ZNSXFNCMQCPNLG-CQSZACIVSA-N 1 1 272.392 2.516 20 30 CFEDMO C=CCCCNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000344472278 527222606 /nfs/dbraw/zinc/22/26/06/527222606.db2.gz ZNSXFNCMQCPNLG-CQSZACIVSA-N 1 1 272.392 2.516 20 30 CFEDMO C=CCC[N@H+](CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000352227350 527324420 /nfs/dbraw/zinc/32/44/20/527324420.db2.gz MTXMFHJRDFIBDB-OAHLLOKOSA-N 1 1 258.365 2.690 20 30 CFEDMO C=CCCOCCCCC(=O)N1[C@H](C)C[N@@H+](CC)C[C@@H]1C ZINC000344454822 527334891 /nfs/dbraw/zinc/33/48/91/527334891.db2.gz OQQWPDDXHOPTPQ-IYBDPMFKSA-N 1 1 296.455 2.691 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+](Cc1ccccc1OC)C1CC1 ZINC000036102892 527453910 /nfs/dbraw/zinc/45/39/10/527453910.db2.gz YHVATTUSWUXRMM-MRXNPFEDSA-N 1 1 275.392 2.987 20 30 CFEDMO CC(C)(C#N)CCC[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000353268059 527463909 /nfs/dbraw/zinc/46/39/09/527463909.db2.gz PWRTVHMZLMWLKL-NSHDSACASA-N 1 1 260.328 2.672 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCOC[C@@H]1CC(F)F ZINC000353268059 527463913 /nfs/dbraw/zinc/46/39/13/527463913.db2.gz PWRTVHMZLMWLKL-NSHDSACASA-N 1 1 260.328 2.672 20 30 CFEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1 ZINC000366094461 527700740 /nfs/dbraw/zinc/70/07/40/527700740.db2.gz JTRQJZSORSZCAK-QGZVFWFLSA-N 1 1 280.375 2.937 20 30 CFEDMO CC[N@@H+](C)[C@H](C(=O)N(C)CC(C)(C)C#N)c1ccccc1 ZINC000353286428 527860727 /nfs/dbraw/zinc/86/07/27/527860727.db2.gz DYQDFMIFKJCXGK-HNNXBMFYSA-N 1 1 287.407 2.688 20 30 CFEDMO CCC[NH+]1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000174677458 528248398 /nfs/dbraw/zinc/24/83/98/528248398.db2.gz HKIGJZQTARSUHR-UHFFFAOYSA-N 1 1 263.772 2.744 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccnc1C ZINC001085794309 782166359 /nfs/dbraw/zinc/16/63/59/782166359.db2.gz XBCQBUABKKEBDA-OAHLLOKOSA-N 1 1 287.407 2.503 20 30 CFEDMO CCCC[C@@H]([NH2+]CC(C)(C)CCC#N)C(=O)OC ZINC000352272376 528853582 /nfs/dbraw/zinc/85/35/82/528853582.db2.gz VXXBPWJRFXMMSO-GFCCVEGCSA-N 1 1 254.374 2.638 20 30 CFEDMO C=C1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2C(C)C)CC1 ZINC001085801979 782167595 /nfs/dbraw/zinc/16/75/95/782167595.db2.gz IAFARRBQCCDOKA-OAHLLOKOSA-N 1 1 264.413 2.674 20 30 CFEDMO CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](CC#N)c1ccccc1 ZINC000353828538 529079402 /nfs/dbraw/zinc/07/94/02/529079402.db2.gz QWCHOLDSJCLRCJ-DLBZAZTESA-N 1 1 299.418 2.674 20 30 CFEDMO CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 ZINC000331939373 529299206 /nfs/dbraw/zinc/29/92/06/529299206.db2.gz IGUVBKXIYQDNLL-INMHGKMJSA-N 1 1 293.455 2.941 20 30 CFEDMO CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(F)cc2C#N)C1 ZINC000452122318 535243387 /nfs/dbraw/zinc/24/33/87/535243387.db2.gz TZNDZNTZCKIBQT-INIZCTEOSA-N 1 1 275.371 2.612 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1occc1CC ZINC001085802339 782168391 /nfs/dbraw/zinc/16/83/91/782168391.db2.gz RBDLFZADMGINBT-OAHLLOKOSA-N 1 1 290.407 2.955 20 30 CFEDMO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459502874 535753973 /nfs/dbraw/zinc/75/39/73/535753973.db2.gz FJVRMQHYLLKBID-UKRRQHHQSA-N 1 1 289.335 2.514 20 30 CFEDMO CCC[C@]1(CO)CCC[N@H+]1Cc1cc(C#N)ccc1OC ZINC000444777091 535768189 /nfs/dbraw/zinc/76/81/89/535768189.db2.gz OFOJGTMRVALIDE-QGZVFWFLSA-N 1 1 288.391 2.694 20 30 CFEDMO CCC[C@]1([NH2+]Cc2c(C#N)cccc2[N+](=O)[O-])CCOC1 ZINC000459454180 535770853 /nfs/dbraw/zinc/77/08/53/535770853.db2.gz BVSYSDXZJLPOKH-HNNXBMFYSA-N 1 1 289.335 2.515 20 30 CFEDMO CCn1nccc1C[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000507189755 535862442 /nfs/dbraw/zinc/86/24/42/535862442.db2.gz BVYKEMPMAFSPEW-ZDUSSCGKSA-N 1 1 268.364 2.968 20 30 CFEDMO CCn1nccc1C[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000507189755 535862447 /nfs/dbraw/zinc/86/24/47/535862447.db2.gz BVYKEMPMAFSPEW-ZDUSSCGKSA-N 1 1 268.364 2.968 20 30 CFEDMO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(C#N)cccc1[N+](=O)[O-] ZINC000459417361 536590781 /nfs/dbraw/zinc/59/07/81/536590781.db2.gz YUFAPIOSKNPCCD-DZGCQCFKSA-N 1 1 289.335 2.514 20 30 CFEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1c(F)ccc(C)c1F ZINC001085799081 782170290 /nfs/dbraw/zinc/17/02/90/782170290.db2.gz JHKRCQJUMGWMHC-LBPRGKRZSA-N 1 1 294.345 2.606 20 30 CFEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1c(F)ccc(C)c1F ZINC001085799081 782170296 /nfs/dbraw/zinc/17/02/96/782170296.db2.gz JHKRCQJUMGWMHC-LBPRGKRZSA-N 1 1 294.345 2.606 20 30 CFEDMO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001085815566 782172852 /nfs/dbraw/zinc/17/28/52/782172852.db2.gz XVFDDYYYCVIRKM-CHWSQXEVSA-N 1 1 286.366 2.531 20 30 CFEDMO C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC(F)(F)C1 ZINC001085815566 782172859 /nfs/dbraw/zinc/17/28/59/782172859.db2.gz XVFDDYYYCVIRKM-CHWSQXEVSA-N 1 1 286.366 2.531 20 30 CFEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C1CCC1 ZINC001085817320 782174912 /nfs/dbraw/zinc/17/49/12/782174912.db2.gz VEHFUTSGCDGIDD-AWEZNQCLSA-N 1 1 287.407 2.615 20 30 CFEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc[nH]c1C1CCC1 ZINC001085817320 782174915 /nfs/dbraw/zinc/17/49/15/782174915.db2.gz VEHFUTSGCDGIDD-AWEZNQCLSA-N 1 1 287.407 2.615 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC001085829260 782175893 /nfs/dbraw/zinc/17/58/93/782175893.db2.gz SODVLHWXMWSMTD-BZUAXINKSA-N 1 1 278.440 2.777 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cc(C)cc(F)c1 ZINC001085835708 782178656 /nfs/dbraw/zinc/17/86/56/782178656.db2.gz QNTBKXLSCODDOM-INIZCTEOSA-N 1 1 290.382 2.857 20 30 CFEDMO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)c1cccc2[nH]ccc21 ZINC001085834521 782180334 /nfs/dbraw/zinc/18/03/34/782180334.db2.gz MOMZWUBTXRUAOU-ZDUSSCGKSA-N 1 1 283.375 2.500 20 30 CFEDMO C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc2[nH]ccc21 ZINC001085834521 782180339 /nfs/dbraw/zinc/18/03/39/782180339.db2.gz MOMZWUBTXRUAOU-ZDUSSCGKSA-N 1 1 283.375 2.500 20 30 CFEDMO C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CC12CCC2 ZINC001085847842 782185109 /nfs/dbraw/zinc/18/51/09/782185109.db2.gz MFAMEKJACRGEOG-HUUCEWRRSA-N 1 1 276.424 2.676 20 30 CFEDMO C[C@H]1CC(=NNCc2cccc(F)c2)C[N@@H+]1C1CC1 ZINC000753954057 574058846 /nfs/dbraw/zinc/05/88/46/574058846.db2.gz BDOBSSZCBVHPOM-NSHDSACASA-N 1 1 261.344 2.528 20 30 CFEDMO C[C@H]1CC(=NNCc2cccc(F)c2)C[N@H+]1C1CC1 ZINC000753954057 574058849 /nfs/dbraw/zinc/05/88/49/574058849.db2.gz BDOBSSZCBVHPOM-NSHDSACASA-N 1 1 261.344 2.528 20 30 CFEDMO C[C@@H]1CC(N=Nc2cccc(C#N)c2)C[N@H+]1C1CC1 ZINC000753954938 574058937 /nfs/dbraw/zinc/05/89/37/574058937.db2.gz JQOWBJQCLSCFOC-LLVKDONJSA-N 1 1 254.337 2.583 20 30 CFEDMO C[C@@H]1CC(=NNCc2ccc(F)c(F)c2)C[N@@H+]1C1CC1 ZINC000753954635 574058981 /nfs/dbraw/zinc/05/89/81/574058981.db2.gz GUSYEEYDRVJRJA-SNVBAGLBSA-N 1 1 279.334 2.667 20 30 CFEDMO C[C@@H]1CC(=NNCc2ccc(F)c(F)c2)C[N@H+]1C1CC1 ZINC000753954635 574058982 /nfs/dbraw/zinc/05/89/82/574058982.db2.gz GUSYEEYDRVJRJA-SNVBAGLBSA-N 1 1 279.334 2.667 20 30 CFEDMO C[C@@H](NN=C1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000753960076 574059377 /nfs/dbraw/zinc/05/93/77/574059377.db2.gz OFRUUPAVTPIMSO-QWHCGFSZSA-N 1 1 257.381 2.950 20 30 CFEDMO C[C@@H](NN=C1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000753960076 574059379 /nfs/dbraw/zinc/05/93/79/574059379.db2.gz OFRUUPAVTPIMSO-QWHCGFSZSA-N 1 1 257.381 2.950 20 30 CFEDMO C=C(Cl)CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000736689013 574066303 /nfs/dbraw/zinc/06/63/03/574066303.db2.gz PGYHWSMZYOVKDQ-GFCCVEGCSA-N 1 1 287.190 2.811 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](CCC)Cc1ccccc1 ZINC000730282892 574070274 /nfs/dbraw/zinc/07/02/74/574070274.db2.gz QPKDQRSOZUKKMW-MSOLQXFVSA-N 1 1 298.430 2.612 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](CCC)Cc1ccccc1 ZINC000730282892 574070277 /nfs/dbraw/zinc/07/02/77/574070277.db2.gz QPKDQRSOZUKKMW-MSOLQXFVSA-N 1 1 298.430 2.612 20 30 CFEDMO CC(C)[N@@H+](CCC#N)CC1CCC2(CC1)OCCO2 ZINC000753730966 574073351 /nfs/dbraw/zinc/07/33/51/574073351.db2.gz DDDWBVVIIKJQQB-UHFFFAOYSA-N 1 1 266.385 2.544 20 30 CFEDMO C[C@@H]1CC(=NNCCCOc2ccccc2)C[N@@H+]1C1CC1 ZINC000753960262 574083741 /nfs/dbraw/zinc/08/37/41/574083741.db2.gz PKMIHWZXMUKHEG-CQSZACIVSA-N 1 1 287.407 2.658 20 30 CFEDMO C[C@@H]1CC(=NNCCCOc2ccccc2)C[N@H+]1C1CC1 ZINC000753960262 574083742 /nfs/dbraw/zinc/08/37/42/574083742.db2.gz PKMIHWZXMUKHEG-CQSZACIVSA-N 1 1 287.407 2.658 20 30 CFEDMO CC(C)[N@@H+]1CC(N=Nc2cnnc3ccccc23)[C@H](C)C1 ZINC000754259124 574084692 /nfs/dbraw/zinc/08/46/92/574084692.db2.gz MASALKPVJOTLIV-GFCCVEGCSA-N 1 1 283.379 2.758 20 30 CFEDMO N#CCOc1ccc(C[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000731211313 574113378 /nfs/dbraw/zinc/11/33/78/574113378.db2.gz FWJREDNILBQCCR-UHFFFAOYSA-N 1 1 294.354 2.984 20 30 CFEDMO N#CCOc1ccc(C[N@H+]2CCOc3ccccc3C2)cc1 ZINC000731211313 574113379 /nfs/dbraw/zinc/11/33/79/574113379.db2.gz FWJREDNILBQCCR-UHFFFAOYSA-N 1 1 294.354 2.984 20 30 CFEDMO C[C@@H]1CC(N=Nc2ccc(C(F)(F)F)nn2)C[N@H+]1C1CC1 ZINC000754711224 574115526 /nfs/dbraw/zinc/11/55/26/574115526.db2.gz VAAGWNVKXOTMOW-MRVPVSSYSA-N 1 1 299.300 2.520 20 30 CFEDMO CCCCCCCCNC(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000754864337 574125252 /nfs/dbraw/zinc/12/52/52/574125252.db2.gz FMNWUIXIDKBKDI-AWEZNQCLSA-N 1 1 281.444 2.883 20 30 CFEDMO C=CCn1nnn(C[N@@H+](CC(C)C)C2CCCC2)c1=S ZINC000746054023 574132065 /nfs/dbraw/zinc/13/20/65/574132065.db2.gz QKEZFTDORAIHBC-UHFFFAOYSA-N 1 1 295.456 2.853 20 30 CFEDMO C=CCn1nnn(C[N@H+](CC(C)C)C2CCCC2)c1=S ZINC000746054023 574132068 /nfs/dbraw/zinc/13/20/68/574132068.db2.gz QKEZFTDORAIHBC-UHFFFAOYSA-N 1 1 295.456 2.853 20 30 CFEDMO C#CC[N@@H+](CC)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000746456743 574149462 /nfs/dbraw/zinc/14/94/62/574149462.db2.gz HJDONOBLYBNBCD-OAHLLOKOSA-N 1 1 294.398 2.972 20 30 CFEDMO C#CC[N@H+](CC)CC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000746456743 574149464 /nfs/dbraw/zinc/14/94/64/574149464.db2.gz HJDONOBLYBNBCD-OAHLLOKOSA-N 1 1 294.398 2.972 20 30 CFEDMO C#CC[N@@H+](CC)[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000746457572 574149963 /nfs/dbraw/zinc/14/99/63/574149963.db2.gz IVIPQAAXNIYVIX-MRXNPFEDSA-N 1 1 288.366 2.585 20 30 CFEDMO C#CC[N@H+](CC)[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000746457572 574149966 /nfs/dbraw/zinc/14/99/66/574149966.db2.gz IVIPQAAXNIYVIX-MRXNPFEDSA-N 1 1 288.366 2.585 20 30 CFEDMO C#CCCC[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000755264076 574150666 /nfs/dbraw/zinc/15/06/66/574150666.db2.gz RXYRPZYJEPMCOX-KRWDZBQOSA-N 1 1 257.377 2.733 20 30 CFEDMO CCc1[nH+]c(CN=Nc2cc(C)nc(C)n2)c2ccccn21 ZINC000755647633 574174949 /nfs/dbraw/zinc/17/49/49/574174949.db2.gz ATAATHCUMJDIEO-UHFFFAOYSA-N 1 1 294.362 2.750 20 30 CFEDMO CC[NH+](CC)[C@@H](C(=O)OC[C@@H](C)C#N)c1ccccc1 ZINC000755747494 574183492 /nfs/dbraw/zinc/18/34/92/574183492.db2.gz TWDLJKZNBALVCL-DZGCQCFKSA-N 1 1 274.364 2.772 20 30 CFEDMO Cc1ccc([N+](=O)[O-])cc1N=NC1C[N@@H+](C2CC2)C[C@H]1C ZINC000755890512 574194147 /nfs/dbraw/zinc/19/41/47/574194147.db2.gz VLUPNKGKHKYRJT-LLVKDONJSA-N 1 1 288.351 2.785 20 30 CFEDMO C=CCCC[N@H+](C)CN1CC2(CCCC2)CC1=O ZINC000747456252 574197008 /nfs/dbraw/zinc/19/70/08/574197008.db2.gz HDFZAOTUEBHBRT-UHFFFAOYSA-N 1 1 250.386 2.635 20 30 CFEDMO C#CCOc1ccc(CN[C@@H](C)C[NH+](CC)CC)cc1 ZINC000733327022 574221541 /nfs/dbraw/zinc/22/15/41/574221541.db2.gz KXZHBUGROFYASF-HNNXBMFYSA-N 1 1 274.408 2.519 20 30 CFEDMO CC[C@@H](C)C[N@H+](C)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000739913949 574228992 /nfs/dbraw/zinc/22/89/92/574228992.db2.gz FOYDDSYIIIKHIU-IUODEOHRSA-N 1 1 274.364 2.750 20 30 CFEDMO CC[C@@H](C)C[N@@H+](C)[C@@H](C(=O)OC)c1ccc(C#N)cc1 ZINC000739913949 574228993 /nfs/dbraw/zinc/22/89/93/574228993.db2.gz FOYDDSYIIIKHIU-IUODEOHRSA-N 1 1 274.364 2.750 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C(C)(C)c1ccc(C)cc1 ZINC000729811834 574233256 /nfs/dbraw/zinc/23/32/56/574233256.db2.gz DJJZCUFSFCDCEF-KRWDZBQOSA-N 1 1 299.414 2.913 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)C1CCCCCC1 ZINC000756542311 574245175 /nfs/dbraw/zinc/24/51/75/574245175.db2.gz HBFQXSFTNBAPBR-HNNXBMFYSA-N 1 1 263.381 2.598 20 30 CFEDMO C#CC[N@H+]1CCC[C@H]1COC(=O)c1cc2ccccc2o1 ZINC000756542359 574245180 /nfs/dbraw/zinc/24/51/80/574245180.db2.gz HXEYUIRGWQADTK-AWEZNQCLSA-N 1 1 283.327 2.687 20 30 CFEDMO C#CC[N@@H+]1CCC[C@H]1COC(=O)c1cc2ccccc2o1 ZINC000756542359 574245182 /nfs/dbraw/zinc/24/51/82/574245182.db2.gz HXEYUIRGWQADTK-AWEZNQCLSA-N 1 1 283.327 2.687 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)CC1=CCCCC1 ZINC000756544643 574245470 /nfs/dbraw/zinc/24/54/70/574245470.db2.gz VLQBKLBGMQGNGB-OAHLLOKOSA-N 1 1 261.365 2.518 20 30 CFEDMO C#CC[N@@H+]1CCC[C@@H]1COC(=O)c1cccc(C)c1C ZINC000756550229 574246143 /nfs/dbraw/zinc/24/61/43/574246143.db2.gz JKDUOBAAYKCBOD-OAHLLOKOSA-N 1 1 271.360 2.558 20 30 CFEDMO C=C(C)C[N@@H+]1CCC[C@@H](C(=O)NCCCCCC)C1 ZINC000748320483 574246620 /nfs/dbraw/zinc/24/66/20/574246620.db2.gz WREJGXSRXKASHC-OAHLLOKOSA-N 1 1 266.429 2.971 20 30 CFEDMO C=CCC[N@H+](CC)C1CN(C(=O)OC(C)(C)C)C1 ZINC000756608212 574251876 /nfs/dbraw/zinc/25/18/76/574251876.db2.gz HNFIGWNXIJRHHG-UHFFFAOYSA-N 1 1 254.374 2.504 20 30 CFEDMO C#CC[N@H+](CCC(=O)NCC1CCCCC1)C1CCCC1 ZINC000756910792 574272918 /nfs/dbraw/zinc/27/29/18/574272918.db2.gz BFUAQZLBBCFLQI-UHFFFAOYSA-N 1 1 290.451 2.951 20 30 CFEDMO CC[C@@H](C#N)Oc1cccc(CNC2CC[NH+](C)CC2)c1 ZINC000749128196 574281532 /nfs/dbraw/zinc/28/15/32/574281532.db2.gz HJPQJGVVZSQLRG-INIZCTEOSA-N 1 1 287.407 2.551 20 30 CFEDMO C[N@@H+](CCC(=O)C(C)(C)C)Cc1ccc(C#N)cc1 ZINC000741157204 574281847 /nfs/dbraw/zinc/28/18/47/574281847.db2.gz XRRHKZNCBKKCKF-UHFFFAOYSA-N 1 1 258.365 2.995 20 30 CFEDMO C[NH+]1CCN(N=C2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000741160641 574282331 /nfs/dbraw/zinc/28/23/31/574282331.db2.gz WWZNKWWICNVSEL-HNNXBMFYSA-N 1 1 275.371 2.697 20 30 CFEDMO C#CC[N@H+](CC)Cc1ccc(I)cc1 ZINC000749155672 574282427 /nfs/dbraw/zinc/28/24/27/574282427.db2.gz XXPWRHCHSKUHCI-UHFFFAOYSA-N 1 1 299.155 2.746 20 30 CFEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000749154971 574282571 /nfs/dbraw/zinc/28/25/71/574282571.db2.gz JSRLIOXPFZZCFZ-INIZCTEOSA-N 1 1 286.419 2.767 20 30 CFEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000749154971 574282574 /nfs/dbraw/zinc/28/25/74/574282574.db2.gz JSRLIOXPFZZCFZ-INIZCTEOSA-N 1 1 286.419 2.767 20 30 CFEDMO C#CC[N@@H+](CC)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000749196155 574284176 /nfs/dbraw/zinc/28/41/76/574284176.db2.gz SDHOOZNSLQFIEF-AWEZNQCLSA-N 1 1 264.413 2.511 20 30 CFEDMO C#CC[N@H+](CC)[C@@H](C)C(=O)N(CC)C1CCCCC1 ZINC000749196155 574284178 /nfs/dbraw/zinc/28/41/78/574284178.db2.gz SDHOOZNSLQFIEF-AWEZNQCLSA-N 1 1 264.413 2.511 20 30 CFEDMO CCCCCCCC[N@@H+]1CCO[C@@H](C(=O)OCC)C1 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620537984 /nfs/dbraw/zinc/53/79/84/620537984.db2.gz IALXFCLDNKHERJ-AWEZNQCLSA-N 1 1 262.401 2.865 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000899583667 620583560 /nfs/dbraw/zinc/58/35/60/620583560.db2.gz GTOWJHDWDNOTAW-HNNXBMFYSA-N 1 1 299.418 2.637 20 30 CFEDMO C[C@H]1Cc2[nH+]cn(Cc3cc(C#N)ccn3)c2C[C@@H]1C ZINC000901567656 620859696 /nfs/dbraw/zinc/85/96/96/620859696.db2.gz DPSVRWIAWAHYOM-RYUDHWBXSA-N 1 1 266.348 2.569 20 30 CFEDMO COc1ccc(C[NH2+]C[C@@H](C#N)CCC#N)c(C)c1OC ZINC000901630870 620875484 /nfs/dbraw/zinc/87/54/84/620875484.db2.gz PGWKALHDYHETRU-CYBMUJFWSA-N 1 1 287.363 2.545 20 30 CFEDMO C=CC[N@H+]1CC[C@]2(NC(=O)c3cc(C)nc(C)c3)CCC[C@@H]12 ZINC000990905316 620925521 /nfs/dbraw/zinc/92/55/21/620925521.db2.gz FTQAWRWYJHTRLD-SJLPKXTDSA-N 1 1 299.418 2.611 20 30 CFEDMO C=C(Br)C[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000163154434 625451142 /nfs/dbraw/zinc/45/11/42/625451142.db2.gz LDDDGEMVBOIVNL-NWDGAFQWSA-N 1 1 276.218 2.911 20 30 CFEDMO Cc1ccccc1C=NOCCCc1c[nH+]cn1C ZINC000902142475 620986566 /nfs/dbraw/zinc/98/65/66/620986566.db2.gz VOKTUAYSRHWYOP-UHFFFAOYSA-N 1 1 257.337 2.712 20 30 CFEDMO C=CC[N@@H+](CN1C[C@@H](c2ccc(F)cc2)CC1=O)C1CC1 ZINC000902211630 620994004 /nfs/dbraw/zinc/99/40/04/620994004.db2.gz ZLKBEAWTJAXERQ-AWEZNQCLSA-N 1 1 288.366 2.750 20 30 CFEDMO C=CC[N@H+](CN1C[C@@H](c2ccc(F)cc2)CC1=O)C1CC1 ZINC000902211630 620994007 /nfs/dbraw/zinc/99/40/07/620994007.db2.gz ZLKBEAWTJAXERQ-AWEZNQCLSA-N 1 1 288.366 2.750 20 30 CFEDMO Cn1c[nH+]cc1CCCON=C1CCOc2ccccc21 ZINC000902207621 620998398 /nfs/dbraw/zinc/99/83/98/620998398.db2.gz DDVKVVXFSWEEBW-UHFFFAOYSA-N 1 1 285.347 2.556 20 30 CFEDMO CCn1cnc(C[NH2+][C@H](C)c2cccc(C#N)c2)c1 ZINC000902290800 621016164 /nfs/dbraw/zinc/01/61/64/621016164.db2.gz LJMPKUQBHCBJGP-GFCCVEGCSA-N 1 1 254.337 2.625 20 30 CFEDMO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000801912754 621036754 /nfs/dbraw/zinc/03/67/54/621036754.db2.gz BSWCCXQNXWUZDR-CZUORRHYSA-N 1 1 276.355 2.761 20 30 CFEDMO C=CCCC[N@H+](CC)CN1CCC2(CCC2)C1=O ZINC000902668727 621148454 /nfs/dbraw/zinc/14/84/54/621148454.db2.gz FGQYLDZWBUKJFX-UHFFFAOYSA-N 1 1 250.386 2.635 20 30 CFEDMO CC[C@H]([NH2+]CCCN(C)CCOC)c1cccc(C#N)c1 ZINC000902745496 621163682 /nfs/dbraw/zinc/16/36/82/621163682.db2.gz PCUVWNCZANIVAO-KRWDZBQOSA-N 1 1 289.423 2.567 20 30 CFEDMO CC(C)Oc1ccc(C[NH2+][C@H](C)c2cc(C#N)ccn2)cn1 ZINC000902750206 621164813 /nfs/dbraw/zinc/16/48/13/621164813.db2.gz BZCOFUAHTVYJEU-CYBMUJFWSA-N 1 1 296.374 2.986 20 30 CFEDMO N#CC1(CCCCON=C(N)C[NH+]2CCCCC2)CCC1 ZINC000902778339 621171597 /nfs/dbraw/zinc/17/15/97/621171597.db2.gz OXYGEVAWQRPMHX-UHFFFAOYSA-N 1 1 292.427 2.835 20 30 CFEDMO CC[C@H](NCC[N@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902786555 621176089 /nfs/dbraw/zinc/17/60/89/621176089.db2.gz PKRFJWAMRYNBOH-INIZCTEOSA-N 1 1 259.397 2.939 20 30 CFEDMO CC[C@H](NCC[N@@H+](C)C(C)C)c1cccc(C#N)c1 ZINC000902786555 621176091 /nfs/dbraw/zinc/17/60/91/621176091.db2.gz PKRFJWAMRYNBOH-INIZCTEOSA-N 1 1 259.397 2.939 20 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HYFIAZBIRBDQHE-LBPRGKRZSA-N 1 1 287.363 2.934 20 30 CFEDMO C[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cc(C#N)ccn1 ZINC000902888875 621200109 /nfs/dbraw/zinc/20/01/09/621200109.db2.gz XQVNISOHXGWQIK-ACJLOTCBSA-N 1 1 292.386 2.791 20 30 CFEDMO CCCn1cc([C@@H](C)[NH2+][C@@H]2CCc3cc(C#N)ccc32)nn1 ZINC000902974768 621221327 /nfs/dbraw/zinc/22/13/27/621221327.db2.gz BANLNWGEGGRISK-MLGOLLRUSA-N 1 1 295.390 2.898 20 30 CFEDMO CCC[N@@H+](CC)C[C@H](C)N[C@@H](C)c1cc(C#N)ccn1 ZINC000902996075 621223559 /nfs/dbraw/zinc/22/35/59/621223559.db2.gz JJXREEMQHNRCBE-KBPBESRZSA-N 1 1 274.412 2.724 20 30 CFEDMO C[C@H]([NH2+][C@@H](CCCC#N)c1ccccc1)c1cn(C)nn1 ZINC000903001235 621225750 /nfs/dbraw/zinc/22/57/50/621225750.db2.gz RHGIYFYCXDDGDW-ZFWWWQNUSA-N 1 1 283.379 2.901 20 30 CFEDMO COc1ccc2c(c1)[C@@H]([NH2+]CC1(C#N)CCC1)CC2 ZINC000903032410 621230308 /nfs/dbraw/zinc/23/03/08/621230308.db2.gz SAWQLQNGCXXXBW-HNNXBMFYSA-N 1 1 256.349 2.966 20 30 CFEDMO CC(=O)N1CC[C@@H]([NH2+]CC2(C#N)CCC2)c2ccccc21 ZINC000903035700 621230953 /nfs/dbraw/zinc/23/09/53/621230953.db2.gz SUDFSAFPHIAWOX-OAHLLOKOSA-N 1 1 283.375 2.768 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903027713 621234850 /nfs/dbraw/zinc/23/48/50/621234850.db2.gz VZXVCGXILPXTRA-CZUORRHYSA-N 1 1 293.374 2.596 20 30 CFEDMO C[C@@H](NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc(C#N)ccn1 ZINC000903058455 621236522 /nfs/dbraw/zinc/23/65/22/621236522.db2.gz HHHNZBUOGHSZAQ-PBHICJAKSA-N 1 1 298.434 2.726 20 30 CFEDMO CC(=O)Nc1ccc([C@H](C)[NH2+]CC2(C#N)CC2)cc1 ZINC000903105205 621255165 /nfs/dbraw/zinc/25/51/65/621255165.db2.gz AFGLKBMGONLTIU-NSHDSACASA-N 1 1 257.337 2.599 20 30 CFEDMO N#Cc1cccc(CN2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000903959401 621479801 /nfs/dbraw/zinc/47/98/01/621479801.db2.gz HKKKLMWNAGCCIU-QGZVFWFLSA-N 1 1 269.392 2.524 20 30 CFEDMO C=CCCN(OCc1ccccc1)C(=O)C1([NH+](C)C)CC1 ZINC000832720964 625494796 /nfs/dbraw/zinc/49/47/96/625494796.db2.gz JZXGNRHRDLNQOC-UHFFFAOYSA-N 1 1 288.391 2.617 20 30 CFEDMO C=CC(C)(C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000832718941 625494952 /nfs/dbraw/zinc/49/49/52/625494952.db2.gz TYNXKVBAXUYSHU-KBPBESRZSA-N 1 1 266.429 2.825 20 30 CFEDMO CC[C@](O)(C[NH2+]CC1(C#N)CCCCC1)C(F)(F)F ZINC000905385097 621752705 /nfs/dbraw/zinc/75/27/05/621752705.db2.gz OKRKCIOBUFEFAO-LBPRGKRZSA-N 1 1 278.318 2.753 20 30 CFEDMO C#CC[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000905750659 621832662 /nfs/dbraw/zinc/83/26/62/621832662.db2.gz WZBLSOAIYICXNU-UHFFFAOYSA-N 1 1 286.335 2.554 20 30 CFEDMO C#CC[N@@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C(C)C ZINC000905750659 621832665 /nfs/dbraw/zinc/83/26/65/621832665.db2.gz WZBLSOAIYICXNU-UHFFFAOYSA-N 1 1 286.335 2.554 20 30 CFEDMO C=CCc1cc(C[N@H+]2CCO[C@@H](C)CC2)c(O)c(OC)c1 ZINC000905741576 621842999 /nfs/dbraw/zinc/84/29/99/621842999.db2.gz XHBJSEQZMOZVIO-ZDUSSCGKSA-N 1 1 291.391 2.740 20 30 CFEDMO C=CC[C@@H]([NH2+]CC(CC)(CC)SC)C(=O)OC ZINC000905763426 621854835 /nfs/dbraw/zinc/85/48/35/621854835.db2.gz YFWOLQBIKHIXAT-LLVKDONJSA-N 1 1 259.415 2.616 20 30 CFEDMO C=CC[C@@H]([NH2+]C[C@H](C)Cc1ccc(OC)cc1)C(=O)OC ZINC000905764365 621855708 /nfs/dbraw/zinc/85/57/08/621855708.db2.gz XGWDUDJBVYBMEJ-CZUORRHYSA-N 1 1 291.391 2.581 20 30 CFEDMO C=CC[C@@H]([NH2+]C[C@H]1CCCC(F)(F)C1)C(=O)OC ZINC000905767298 621857934 /nfs/dbraw/zinc/85/79/34/621857934.db2.gz KREYTUVLRLDBHN-WDEREUQCSA-N 1 1 261.312 2.519 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)Cc1cn(C2CC2)nn1 ZINC000906259330 621967224 /nfs/dbraw/zinc/96/72/24/621967224.db2.gz BLOMCZQUBQZJBV-UHFFFAOYSA-N 1 1 282.391 2.844 20 30 CFEDMO C=CC[N@@H+](CCc1ccccc1)Cc1cn(C2CC2)nn1 ZINC000906259330 621967225 /nfs/dbraw/zinc/96/72/25/621967225.db2.gz BLOMCZQUBQZJBV-UHFFFAOYSA-N 1 1 282.391 2.844 20 30 CFEDMO CC[N@H+]1CCC[C@H](CNC(=O)c2cc(C)c(C#N)c(C)c2)C1 ZINC000906449033 621990993 /nfs/dbraw/zinc/99/09/93/621990993.db2.gz PMUQDGPQBRVEAA-OAHLLOKOSA-N 1 1 299.418 2.637 20 30 CFEDMO CCC[N@H+]1CCC[C@@H](C(=O)Nc2cc(C#N)ccc2C)C1 ZINC000906448444 621991130 /nfs/dbraw/zinc/99/11/30/621991130.db2.gz LUZZXANYIFNPOK-OAHLLOKOSA-N 1 1 285.391 2.927 20 30 CFEDMO C=CC1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC000906646735 622024986 /nfs/dbraw/zinc/02/49/86/622024986.db2.gz JLCZZPMFGVQNNU-OAHLLOKOSA-N 1 1 264.413 2.533 20 30 CFEDMO CCCC[N@@H+](C)CCNC(=O)[C@@]1(C#N)CC2CCC1CC2 ZINC000906659409 622030559 /nfs/dbraw/zinc/03/05/59/622030559.db2.gz HAMPEIOJNLACIG-VMBOVVBDSA-N 1 1 291.439 2.555 20 30 CFEDMO C#CC[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)c1ccccc1 ZINC000907136341 622089665 /nfs/dbraw/zinc/08/96/65/622089665.db2.gz IGAOCKRLDJUMJO-MSOLQXFVSA-N 1 1 298.430 2.989 20 30 CFEDMO C#CCOc1ccccc1NC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000907502899 622132495 /nfs/dbraw/zinc/13/24/95/622132495.db2.gz DUQHUDUWBBDXSH-HOCLYGCPSA-N 1 1 298.386 2.654 20 30 CFEDMO CC(C)(C#N)CCC[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183823584 625545875 /nfs/dbraw/zinc/54/58/75/625545875.db2.gz HJVWPPUZGWOHGO-AWEZNQCLSA-N 1 1 280.412 2.791 20 30 CFEDMO CCC[N@H+]1CCC[C@H](C(=O)NCC2CCC(C#N)CC2)C1 ZINC000907992438 622184431 /nfs/dbraw/zinc/18/44/31/622184431.db2.gz HGWZWEFQYKOBCL-GPANFISMSA-N 1 1 291.439 2.555 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)c1cc2ccccc2cc1F ZINC000908435683 622230046 /nfs/dbraw/zinc/23/00/46/622230046.db2.gz ARCCEVGKRJABBV-UHFFFAOYSA-N 1 1 298.361 2.664 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)CC[C@H]1CCc2ccccc21 ZINC000908437982 622230573 /nfs/dbraw/zinc/23/05/73/622230573.db2.gz WEJUNYFRZFSRPK-QGZVFWFLSA-N 1 1 298.430 2.568 20 30 CFEDMO C=C1CCC(C(=O)N2CCC[N@H+](CC)C[C@@H]2C)CC1 ZINC000910273202 622422656 /nfs/dbraw/zinc/42/26/56/622422656.db2.gz YKFMOBPIZWFYDQ-AWEZNQCLSA-N 1 1 264.413 2.676 20 30 CFEDMO C=CCCOCCCCC(=O)N1CCC[N@H+](CC)C[C@@H]1C ZINC000910283147 622425182 /nfs/dbraw/zinc/42/51/82/622425182.db2.gz KPCUZTXFMQGJPK-INIZCTEOSA-N 1 1 296.455 2.692 20 30 CFEDMO CC#CCCCC(=O)N1CC2(CC[N@@H+]2Cc2ccccc2)C1 ZINC000910781057 622477692 /nfs/dbraw/zinc/47/76/92/622477692.db2.gz MEIIKDHBSNOTEM-UHFFFAOYSA-N 1 1 296.414 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ZINC000769451147 627440645 /nfs/dbraw/zinc/44/06/45/627440645.db2.gz HTAJMRWTIUEVFN-UHFFFAOYSA-N 1 1 285.387 2.943 20 30 CFEDMO C#CC[N@@H+](Cc1[nH]nc2ccccc21)C1CCCC1 ZINC000769529626 627452042 /nfs/dbraw/zinc/45/20/42/627452042.db2.gz CZPYDIPCKCHWSM-UHFFFAOYSA-N 1 1 253.349 2.941 20 30 CFEDMO C#CCOc1ccc(C[N@@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000769545882 627454071 /nfs/dbraw/zinc/45/40/71/627454071.db2.gz QTKFDENXGQSPDI-CQSZACIVSA-N 1 1 268.360 2.823 20 30 CFEDMO C#CCOc1ccc(C[N@H+](C[C@H](C)C#N)C2CC2)cc1 ZINC000769545882 627454076 /nfs/dbraw/zinc/45/40/76/627454076.db2.gz QTKFDENXGQSPDI-CQSZACIVSA-N 1 1 268.360 2.823 20 30 CFEDMO C#CCOc1ccc(C[N@@H+](C)Cc2ccc[nH]2)cc1 ZINC000769541638 627454289 /nfs/dbraw/zinc/45/42/89/627454289.db2.gz DXVHUTXVAQZULG-UHFFFAOYSA-N 1 1 254.333 2.659 20 30 CFEDMO CCC[C@H](C=NN1CC[NH+](C)CC1)c1ccccc1 ZINC000769568393 627457294 /nfs/dbraw/zinc/45/72/94/627457294.db2.gz ZAHFYNVKJKPWQM-MRXNPFEDSA-N 1 1 259.397 2.804 20 30 CFEDMO CC(=[NH+]NCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000769808033 627476695 /nfs/dbraw/zinc/47/66/95/627476695.db2.gz HSVHYIILDVRPID-UHFFFAOYSA-N 1 1 259.275 2.629 20 30 CFEDMO C[C@@H]1CC(=NNCC(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000769825927 627479983 /nfs/dbraw/zinc/47/99/83/627479983.db2.gz YXIGWPMKMFTXBT-LLVKDONJSA-N 1 1 285.313 2.789 20 30 CFEDMO C[C@@H]1CC(=NNCC(F)(F)F)C[N@H+]1Cc1ccccc1 ZINC000769825927 627479986 /nfs/dbraw/zinc/47/99/86/627479986.db2.gz YXIGWPMKMFTXBT-LLVKDONJSA-N 1 1 285.313 2.789 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1cc(=O)oc2cc(O)c(CC)cc12 ZINC000769977500 627493830 /nfs/dbraw/zinc/49/38/30/627493830.db2.gz GSGIFRURXZIHRF-LLVKDONJSA-N 1 1 285.343 2.515 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000770287464 627511374 /nfs/dbraw/zinc/51/13/74/627511374.db2.gz XLRWUNBMPUIQAB-SJORKVTESA-N 1 1 285.387 2.700 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000770373567 627516145 /nfs/dbraw/zinc/51/61/45/627516145.db2.gz HJNJXDFLAAXJPY-ROUUACIJSA-N 1 1 299.414 2.947 20 30 CFEDMO C#CCOCC[N@H+]1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000851918781 634587838 /nfs/dbraw/zinc/58/78/38/634587838.db2.gz DFCHXGLXIRPZIV-KGLIPLIRSA-N 1 1 273.376 2.653 20 30 CFEDMO C=CC[N@@H+](CN1C[C@@H](c2ccccc2C)CC1=O)C1CC1 ZINC000771642634 627620284 /nfs/dbraw/zinc/62/02/84/627620284.db2.gz TXBPTPOUAPVZDV-HNNXBMFYSA-N 1 1 284.403 2.919 20 30 CFEDMO C=CC[N@H+](CN1C[C@@H](c2ccccc2C)CC1=O)C1CC1 ZINC000771642634 627620287 /nfs/dbraw/zinc/62/02/87/627620287.db2.gz TXBPTPOUAPVZDV-HNNXBMFYSA-N 1 1 284.403 2.919 20 30 CFEDMO C#CCCC[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772332031 627702903 /nfs/dbraw/zinc/70/29/03/627702903.db2.gz ORWISARZZRZAGW-KGLIPLIRSA-N 1 1 280.412 2.730 20 30 CFEDMO C#CCOCC[N@@H+]1CC[C@H](c2cc(C)cc(C)c2)C1 ZINC000851925642 634592162 /nfs/dbraw/zinc/59/21/62/634592162.db2.gz YHRWCVMYRNUMTE-INIZCTEOSA-N 1 1 257.377 2.743 20 30 CFEDMO C#CCOCC[N@H+](C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000851934374 634598605 /nfs/dbraw/zinc/59/86/05/634598605.db2.gz JYPYVKKBRGJSRY-IRXDYDNUSA-N 1 1 291.366 2.627 20 30 CFEDMO C#CCCCCC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000773400194 627814534 /nfs/dbraw/zinc/81/45/34/627814534.db2.gz KMDPHJFUAQSFDU-HUUCEWRRSA-N 1 1 264.413 2.511 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@@H+](C)CC(=C)CC)c1 ZINC000773423298 627816791 /nfs/dbraw/zinc/81/67/91/627816791.db2.gz ZXLDGQUGHYRKSU-UHFFFAOYSA-N 1 1 256.349 2.504 20 30 CFEDMO C#Cc1cccc(NC(=O)C[N@H+](C)CC(=C)CC)c1 ZINC000773423298 627816796 /nfs/dbraw/zinc/81/67/96/627816796.db2.gz ZXLDGQUGHYRKSU-UHFFFAOYSA-N 1 1 256.349 2.504 20 30 CFEDMO C=C(CC)C[N@H+]1CCCN(C(=O)OCC(C)C)CC1 ZINC000773427283 627817438 /nfs/dbraw/zinc/81/74/38/627817438.db2.gz JRSKHRARFUEKMF-UHFFFAOYSA-N 1 1 268.401 2.753 20 30 CFEDMO CCCCCCCC[C@H](O)CCC(=O)N1CC[NH+](C)CC1 ZINC000773690339 627848791 /nfs/dbraw/zinc/84/87/91/627848791.db2.gz XIMVPBIPRFQCDC-INIZCTEOSA-N 1 1 298.471 2.652 20 30 CFEDMO C#C[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000775183406 627998720 /nfs/dbraw/zinc/99/87/20/627998720.db2.gz KZWYEEXOGRDHQG-SECBINFHSA-N 1 1 252.701 2.702 20 30 CFEDMO C#C[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000775183406 627998718 /nfs/dbraw/zinc/99/87/18/627998718.db2.gz KZWYEEXOGRDHQG-SECBINFHSA-N 1 1 252.701 2.702 20 30 CFEDMO C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CCC(=O)O1 ZINC000851997757 634620906 /nfs/dbraw/zinc/62/09/06/634620906.db2.gz OLMVNIMHIVOMBH-OAHLLOKOSA-N 1 1 259.349 2.770 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cc2cc(F)ccc2o1)[C@@H]1CCCO1 ZINC000775342264 628012439 /nfs/dbraw/zinc/01/24/39/628012439.db2.gz PTCHYOVCIMYHEN-HOCLYGCPSA-N 1 1 273.307 2.842 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cccc2c1OC(C)(C)C2)[C@H]1CCCO1 ZINC000775343877 628013140 /nfs/dbraw/zinc/01/31/40/628013140.db2.gz ZAMYIRJQEGANKM-JKSUJKDBSA-N 1 1 285.387 2.671 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(Cl)ccc1F)[C@@H]1CCCO1 ZINC000775345915 628014453 /nfs/dbraw/zinc/01/44/53/628014453.db2.gz ROQWYFGLXMMXNY-KGLIPLIRSA-N 1 1 267.731 2.750 20 30 CFEDMO C#CC[C@@H]([NH2+]Cc1cn2cccnc2n1)c1ccccc1 ZINC000775397719 628020044 /nfs/dbraw/zinc/02/00/44/628020044.db2.gz AJZAAXBODJIPCI-MRXNPFEDSA-N 1 1 276.343 2.584 20 30 CFEDMO C#C[C@H]([NH2+][C@H](C)c1ccccc1OCC)[C@H]1CCCO1 ZINC000775573899 628041632 /nfs/dbraw/zinc/04/16/32/628041632.db2.gz KXJFJTPGPSVULI-UKPHBRMFSA-N 1 1 273.376 2.917 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1nc2c(s1)CCCC2)[C@H]1CCCO1 ZINC000775573749 628041731 /nfs/dbraw/zinc/04/17/31/628041731.db2.gz JMIKGVSZTKAZCQ-SGMGOOAPSA-N 1 1 290.432 2.853 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000775754928 628063233 /nfs/dbraw/zinc/06/32/33/628063233.db2.gz URHUFJDYGDJLMW-UHFFFAOYSA-N 1 1 283.774 2.948 20 30 CFEDMO C#C[C@H]([NH2+]Cc1ccccc1OC(C)C)[C@@H]1CCCO1 ZINC000775792433 628069004 /nfs/dbraw/zinc/06/90/04/628069004.db2.gz SBIZBJNSBHODMV-RDJZCZTQSA-N 1 1 273.376 2.744 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(-c2ccc(C)cc2)no1)[C@@H]1CCCO1 ZINC000775801760 628070706 /nfs/dbraw/zinc/07/07/06/628070706.db2.gz VZVKHIZOHHPLDU-AEFFLSMTSA-N 1 1 296.370 2.920 20 30 CFEDMO C#CC[N@H+](Cc1ccc(OC)cn1)C1CCCCC1 ZINC000775951369 628087965 /nfs/dbraw/zinc/08/79/65/628087965.db2.gz JYGGOCGFSSKXQV-UHFFFAOYSA-N 1 1 258.365 2.858 20 30 CFEDMO C[C@H](C#N)Oc1ccc(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000775984930 628091505 /nfs/dbraw/zinc/09/15/05/628091505.db2.gz IGXILEMAPYTXEK-SOUVJXGZSA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000775984930 628091508 /nfs/dbraw/zinc/09/15/08/628091508.db2.gz IGXILEMAPYTXEK-SOUVJXGZSA-N 1 1 287.407 2.502 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2C[C@H](C)N(C)C[C@@H]2C)cc1 ZINC000775984930 628091511 /nfs/dbraw/zinc/09/15/11/628091511.db2.gz IGXILEMAPYTXEK-SOUVJXGZSA-N 1 1 287.407 2.502 20 30 CFEDMO CN(C)c1cc[nH+]cc1CN=Nc1nncc2ccccc21 ZINC000776183358 628112620 /nfs/dbraw/zinc/11/26/20/628112620.db2.gz LPHJQGFYRHOSDA-UHFFFAOYSA-N 1 1 292.346 2.537 20 30 CFEDMO CN(C)c1ccncc1C=[NH+]NCc1cccc(Cl)c1 ZINC000776188078 628113663 /nfs/dbraw/zinc/11/36/63/628113663.db2.gz VLCOTKNDJJAHJZ-UHFFFAOYSA-N 1 1 288.782 2.925 20 30 CFEDMO C#CC[N@H+](CCCC(=O)NCC(C)C)Cc1ccccc1 ZINC000852043872 634634501 /nfs/dbraw/zinc/63/45/01/634634501.db2.gz BMFRFFMVAKMMQR-UHFFFAOYSA-N 1 1 286.419 2.674 20 30 CFEDMO C#CCOCC[N@H+](C)[C@H](CC)c1ccccc1OC ZINC000852053111 634637800 /nfs/dbraw/zinc/63/78/00/634637800.db2.gz ZRBKRPTUBAFARW-OAHLLOKOSA-N 1 1 261.365 2.728 20 30 CFEDMO CC[N@H+]1CCC(=NOCCC(F)(F)F)[C@H](C)C1 ZINC000777462781 628228223 /nfs/dbraw/zinc/22/82/23/628228223.db2.gz LVJVCFFZLNLKFF-SECBINFHSA-N 1 1 252.280 2.673 20 30 CFEDMO COC[C@@H](C)NN=C1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000777902512 628263482 /nfs/dbraw/zinc/26/34/82/628263482.db2.gz KCLIFEBOINSZEZ-HUUCEWRRSA-N 1 1 289.423 2.509 20 30 CFEDMO COC[C@@H](C)NN=C1C[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000777902512 628263484 /nfs/dbraw/zinc/26/34/84/628263484.db2.gz KCLIFEBOINSZEZ-HUUCEWRRSA-N 1 1 289.423 2.509 20 30 CFEDMO C=CC[N@H+](C)Cc1cc(Cl)ccc1OCC#N ZINC000778162543 628282531 /nfs/dbraw/zinc/28/25/31/628282531.db2.gz USEYPURPILGRAV-UHFFFAOYSA-N 1 1 250.729 2.860 20 30 CFEDMO CCCCCCCC[N@H+]1CC[C@H](OC)C[C@H]1C(=O)OC ZINC000778232188 628290683 /nfs/dbraw/zinc/29/06/83/628290683.db2.gz GJHLGADZTCWIJR-GJZGRUSLSA-N 1 1 285.428 2.999 20 30 CFEDMO CC(C)(C(=O)O[C@H](C#N)C1CCCCC1)[NH+]1CCCC1 ZINC000805608736 628309643 /nfs/dbraw/zinc/30/96/43/628309643.db2.gz HKEGQOWMZXTEFD-CQSZACIVSA-N 1 1 278.396 2.876 20 30 CFEDMO CC(C)(C(=O)OCc1cccc(C#N)c1F)[NH+]1CCCC1 ZINC000805610378 628313135 /nfs/dbraw/zinc/31/31/35/628313135.db2.gz INGUCBCUHDSVLO-UHFFFAOYSA-N 1 1 290.338 2.615 20 30 CFEDMO C=CCc1cc(C[N@@H+]2CC=CCC2)c(O)c(OC)c1 ZINC000778577779 628317663 /nfs/dbraw/zinc/31/76/63/628317663.db2.gz VYLPUCKVIMQBNX-UHFFFAOYSA-N 1 1 259.349 2.891 20 30 CFEDMO C[N@@H+](C1CCCC1)C(C)(C)C(=O)OCC1(CC#N)CC1 ZINC000778654253 628322774 /nfs/dbraw/zinc/32/27/74/628322774.db2.gz KTOJVTFQTININO-UHFFFAOYSA-N 1 1 278.396 2.876 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000779149522 628355949 /nfs/dbraw/zinc/35/59/49/628355949.db2.gz FINBKCUGAGFNKA-QGZVFWFLSA-N 1 1 273.376 2.555 20 30 CFEDMO C#CCOc1ccccc1C[N@H+]1CCO[C@@H](C(C)C)C1 ZINC000779149522 628355952 /nfs/dbraw/zinc/35/59/52/628355952.db2.gz FINBKCUGAGFNKA-QGZVFWFLSA-N 1 1 273.376 2.555 20 30 CFEDMO CCCNN=C(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000779772354 628401572 /nfs/dbraw/zinc/40/15/72/628401572.db2.gz HEXRYBGVGSTOBO-MRXNPFEDSA-N 1 1 259.397 2.884 20 30 CFEDMO C#Cc1cccc(NC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000779778201 628401965 /nfs/dbraw/zinc/40/19/65/628401965.db2.gz VLRQJKZRZRDBNL-UHFFFAOYSA-N 1 1 267.332 2.627 20 30 CFEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000852099497 634653220 /nfs/dbraw/zinc/65/32/20/634653220.db2.gz ALPVQSDANDVDIN-MEDUHNTESA-N 1 1 269.348 2.788 20 30 CFEDMO CC(C)Oc1cccc(C=NNc2cc[nH+]cc2)c1 ZINC000779808516 628408752 /nfs/dbraw/zinc/40/87/52/628408752.db2.gz BBLSRAQWGYQMGE-UHFFFAOYSA-N 1 1 255.321 2.737 20 30 CFEDMO Cc1cc(C=NNc2cc[nH+]cc2)c(C)n1-c1nccs1 ZINC000779808554 628408833 /nfs/dbraw/zinc/40/88/33/628408833.db2.gz CJNRJFHHLVZFGT-UHFFFAOYSA-N 1 1 297.387 2.814 20 30 CFEDMO Cc1nn(C(C)(C)C)c(C)c1C=NNc1cc[nH+]cc1 ZINC000779810114 628409054 /nfs/dbraw/zinc/40/90/54/628409054.db2.gz VTDGTBIZHBLTNB-UHFFFAOYSA-N 1 1 271.368 2.518 20 30 CFEDMO Brc1csc(C=NNc2cc[nH+]cc2)c1 ZINC000779809735 628409112 /nfs/dbraw/zinc/40/91/12/628409112.db2.gz OXQVVEUIUYPFNY-UHFFFAOYSA-N 1 1 282.166 2.774 20 30 CFEDMO Brc1cccc(C=NNc2cc[nH+]cc2)c1 ZINC000779810907 628409209 /nfs/dbraw/zinc/40/92/09/628409209.db2.gz LJQQSFHZWGSGTN-UHFFFAOYSA-N 1 1 276.137 2.712 20 30 CFEDMO CC(=[NH+]Nc1ccc2n[nH]cc2c1)c1ccc(N)cc1 ZINC000779819767 628411262 /nfs/dbraw/zinc/41/12/62/628411262.db2.gz YNCZUHJJJXMRLQ-UHFFFAOYSA-N 1 1 265.320 2.981 20 30 CFEDMO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C ZINC000852101226 634655568 /nfs/dbraw/zinc/65/55/68/634655568.db2.gz OPYYSDZBVNOTEA-YVEFUNNKSA-N 1 1 288.391 2.797 20 30 CFEDMO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)c1ccc([N+](=O)[O-])cc1 ZINC000780328742 628455380 /nfs/dbraw/zinc/45/53/80/628455380.db2.gz DVMTYQIVVZDQBJ-LLVKDONJSA-N 1 1 282.303 2.712 20 30 CFEDMO C#Cc1cccc(N(C)C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000780593496 628480760 /nfs/dbraw/zinc/48/07/60/628480760.db2.gz UISRVRSQLMFWOC-QLFBSQMISA-N 1 1 284.403 2.892 20 30 CFEDMO C#CCCCCC(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000781177406 628529979 /nfs/dbraw/zinc/52/99/79/628529979.db2.gz XVDIQSDAHISRMT-UHFFFAOYSA-N 1 1 299.418 2.800 20 30 CFEDMO C#CCOCC[N@@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000852126396 634665795 /nfs/dbraw/zinc/66/57/95/634665795.db2.gz ATMDXEVFKJZDKH-LLVKDONJSA-N 1 1 291.782 2.859 20 30 CFEDMO C#CCOCC[N@H+](C)[C@H](C)c1nc2cc(Cl)ccc2[nH]1 ZINC000852126396 634665798 /nfs/dbraw/zinc/66/57/98/634665798.db2.gz ATMDXEVFKJZDKH-LLVKDONJSA-N 1 1 291.782 2.859 20 30 CFEDMO COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783301675 628699028 /nfs/dbraw/zinc/69/90/28/628699028.db2.gz ZTBCCJBGNWCOOS-SNVBAGLBSA-N 1 1 273.361 2.874 20 30 CFEDMO C#CC[N@H+](CC#CC)Cc1ccc(OCOCC)cc1 ZINC000783475237 628711543 /nfs/dbraw/zinc/71/15/43/628711543.db2.gz WHMSVOVQMRZDIB-UHFFFAOYSA-N 1 1 271.360 2.518 20 30 CFEDMO C#CC[N@@H+](CC#CC)Cc1ccc(OCOCC)cc1 ZINC000783475237 628711546 /nfs/dbraw/zinc/71/15/46/628711546.db2.gz WHMSVOVQMRZDIB-UHFFFAOYSA-N 1 1 271.360 2.518 20 30 CFEDMO C#CCOc1ccc(C[N@@H+]2C[C@H](C)O[C@H](C)[C@@H]2C)cc1 ZINC000783737564 628739558 /nfs/dbraw/zinc/73/95/58/628739558.db2.gz NOKWRTWUKJYOBM-SOUVJXGZSA-N 1 1 273.376 2.696 20 30 CFEDMO C=CCOc1ccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1Cl ZINC000783735946 628739790 /nfs/dbraw/zinc/73/97/90/628739790.db2.gz UPZVOXQKGJUBDO-CJNGLKHVSA-N 1 1 293.794 2.719 20 30 CFEDMO C=CCOc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1Cl ZINC000783735946 628739793 /nfs/dbraw/zinc/73/97/93/628739793.db2.gz UPZVOXQKGJUBDO-CJNGLKHVSA-N 1 1 293.794 2.719 20 30 CFEDMO C#CCOCC[NH2+][C@H](C)c1ncc(-c2ccccc2)o1 ZINC000784080393 628773305 /nfs/dbraw/zinc/77/33/05/628773305.db2.gz UIQFOYFYRKQTSR-CYBMUJFWSA-N 1 1 270.332 2.642 20 30 CFEDMO C#CC[C@H]([NH2+]Cc1cc(OC)ccn1)c1ccccc1 ZINC000784265643 628796558 /nfs/dbraw/zinc/79/65/58/628796558.db2.gz KQIQZARYVZXTRO-KRWDZBQOSA-N 1 1 266.344 2.944 20 30 CFEDMO C=CCC[N@@H+]1CCCC[C@@H]1COC(=O)N(C)CC ZINC000805761144 628818542 /nfs/dbraw/zinc/81/85/42/628818542.db2.gz PWOFBMKTNFSMDS-CYBMUJFWSA-N 1 1 254.374 2.505 20 30 CFEDMO C[N@@H+](CCCOc1ccc(C#N)cc1)[C@H]1CC[C@H](O)CC1 ZINC000784393738 628814304 /nfs/dbraw/zinc/81/43/04/628814304.db2.gz KHLGLSBFYUADTN-WKILWMFISA-N 1 1 288.391 2.562 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](CCOCc2ccccc2)C1 ZINC000852205991 634688220 /nfs/dbraw/zinc/68/82/20/634688220.db2.gz BUTDAXOCVYIQEE-INIZCTEOSA-N 1 1 257.377 2.939 20 30 CFEDMO C=C(CC)C[N@@H+]1CCCC[C@H]1COC(=O)NCCC ZINC000805775671 628876891 /nfs/dbraw/zinc/87/68/91/628876891.db2.gz HTOVVYLMYRTODS-AWEZNQCLSA-N 1 1 268.401 2.943 20 30 CFEDMO C[N@@H+](Cc1cc(C2CC2)no1)C[C@H](O)c1cccc(C#N)c1 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C[N@H+]1CCCC[C@H]1CCOC(=O)[C@]1(C#N)CC12CCCC2 ZINC000837907609 631150415 /nfs/dbraw/zinc/15/04/15/631150415.db2.gz QHRADIHPCCMQEN-WMLDXEAASA-N 1 1 290.407 2.878 20 30 CFEDMO C[C@@H]1CN(C(=O)C#CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000840523111 631162177 /nfs/dbraw/zinc/16/21/77/631162177.db2.gz WNYLECQXFZLZEO-MRXNPFEDSA-N 1 1 298.430 2.769 20 30 CFEDMO C[C@@H]1CN(C(=O)C#CC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000840523111 631162179 /nfs/dbraw/zinc/16/21/79/631162179.db2.gz WNYLECQXFZLZEO-MRXNPFEDSA-N 1 1 298.430 2.769 20 30 CFEDMO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)c2ccn(C)n2)cc1 ZINC000840817531 631230698 /nfs/dbraw/zinc/23/06/98/631230698.db2.gz VLIFSPVUOKJIOS-KBPBESRZSA-N 1 1 283.375 2.844 20 30 CFEDMO C#Cc1ccc(CN2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000809557680 631234627 /nfs/dbraw/zinc/23/46/27/631234627.db2.gz FXUKYFMHXBDXKK-UHFFFAOYSA-N 1 1 270.420 2.974 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCN(CC(F)F)[C@H](CC)C2)cc1 ZINC000809587571 631241540 /nfs/dbraw/zinc/24/15/40/631241540.db2.gz POCIFQLBOCGYLQ-MRXNPFEDSA-N 1 1 292.373 2.829 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCN(CC(F)F)[C@H](CC)C2)cc1 ZINC000809587571 631241547 /nfs/dbraw/zinc/24/15/47/631241547.db2.gz POCIFQLBOCGYLQ-MRXNPFEDSA-N 1 1 292.373 2.829 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2C[C@@H](CC)N(C(C)=O)C[C@@H]2CC)cc1 ZINC000809582744 631241656 /nfs/dbraw/zinc/24/16/56/631241656.db2.gz CHGTYBLTQWHPRI-RBUKOAKNSA-N 1 1 298.430 2.889 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCOCC23CCCC3)cc1 ZINC000809590111 631241989 /nfs/dbraw/zinc/24/19/89/631241989.db2.gz NZXAUJMLVXZKJJ-UHFFFAOYSA-N 1 1 255.361 2.813 20 30 CFEDMO C#Cc1ccc(CNC[C@H](CC)[NH+]2CCCC2)cc1 ZINC000809605254 631244984 /nfs/dbraw/zinc/24/49/84/631244984.db2.gz FYCACCUKWNFFPC-KRWDZBQOSA-N 1 1 256.393 2.632 20 30 CFEDMO C#Cc1ccc(CNC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000809606257 631245208 /nfs/dbraw/zinc/24/52/08/631245208.db2.gz OATXIIPLLTZBAY-HZPDHXFCSA-N 1 1 270.420 2.878 20 30 CFEDMO C#Cc1ccc(CNC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000809606257 631245212 /nfs/dbraw/zinc/24/52/12/631245212.db2.gz OATXIIPLLTZBAY-HZPDHXFCSA-N 1 1 270.420 2.878 20 30 CFEDMO C#Cc1ccc(CN[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000809609634 631246075 /nfs/dbraw/zinc/24/60/75/631246075.db2.gz MKHSKCSNHYJKOJ-CVEARBPZSA-N 1 1 270.420 2.878 20 30 CFEDMO C#Cc1ccc(CN[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000809609634 631246077 /nfs/dbraw/zinc/24/60/77/631246077.db2.gz MKHSKCSNHYJKOJ-CVEARBPZSA-N 1 1 270.420 2.878 20 30 CFEDMO C#Cc1ccc(C[NH2+][C@@H](COC)c2ccco2)cc1 ZINC000809625391 631249511 /nfs/dbraw/zinc/24/95/11/631249511.db2.gz DJXYPWJEASGDTM-HNNXBMFYSA-N 1 1 255.317 2.738 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000809637658 631252605 /nfs/dbraw/zinc/25/26/05/631252605.db2.gz YNRQSCWWYBYBIW-AWEZNQCLSA-N 1 1 265.303 2.872 20 30 CFEDMO C#Cc1ccc(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1 ZINC000809640561 631253830 /nfs/dbraw/zinc/25/38/30/631253830.db2.gz ZZMIPQXFRHJEMW-UHFFFAOYSA-N 1 1 296.414 2.501 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1 ZINC000809640561 631253833 /nfs/dbraw/zinc/25/38/33/631253833.db2.gz ZZMIPQXFRHJEMW-UHFFFAOYSA-N 1 1 296.414 2.501 20 30 CFEDMO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cc(C)n(C)n2)c1 ZINC000840899378 631256036 /nfs/dbraw/zinc/25/60/36/631256036.db2.gz VXFALBBVMIBHSP-MRXNPFEDSA-N 1 1 298.390 2.699 20 30 CFEDMO C#Cc1ccc(C[N@H+](CCO)Cc2ccc(C)o2)cc1 ZINC000809658491 631257821 /nfs/dbraw/zinc/25/78/21/631257821.db2.gz OUBGRPIKSFUDKT-UHFFFAOYSA-N 1 1 269.344 2.564 20 30 CFEDMO C#C[C@@H](C)N[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000809683521 631261959 /nfs/dbraw/zinc/26/19/59/631261959.db2.gz DPRMXBSFWZIYPA-GDBMZVCRSA-N 1 1 256.393 2.651 20 30 CFEDMO C#C[C@@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000809683521 631261962 /nfs/dbraw/zinc/26/19/62/631261962.db2.gz DPRMXBSFWZIYPA-GDBMZVCRSA-N 1 1 256.393 2.651 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cnn(-c2cc(C)cc(C)c2)n1)C(C)C ZINC000809685480 631263084 /nfs/dbraw/zinc/26/30/84/631263084.db2.gz VOBMYBZXXHTMGE-QGZVFWFLSA-N 1 1 282.391 2.632 20 30 CFEDMO CC[N@H+]1CCN(Cc2ccc(O[C@@H](C)C#N)cc2)[C@@H](C)C1 ZINC000809698124 631266750 /nfs/dbraw/zinc/26/67/50/631266750.db2.gz WFEGADCTPDVODC-GJZGRUSLSA-N 1 1 287.407 2.503 20 30 CFEDMO C#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000840958361 631284405 /nfs/dbraw/zinc/28/44/05/631284405.db2.gz PYLQKBWFBKHREH-RTBURBONSA-N 1 1 277.367 2.976 20 30 CFEDMO C#C[C@H]([NH2+]Cc1cn(-c2ccccc2C)nn1)C(C)(C)C ZINC000809781135 631288189 /nfs/dbraw/zinc/28/81/89/631288189.db2.gz HVQZDYFEOCJLKB-INIZCTEOSA-N 1 1 282.391 2.713 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1c(Cl)nc(Cl)n1C)C(C)(C)C ZINC000809782597 631288775 /nfs/dbraw/zinc/28/87/75/631288775.db2.gz ACXBXMHNGSKOAZ-SECBINFHSA-N 1 1 274.195 2.864 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cc1 ZINC000840975400 631290814 /nfs/dbraw/zinc/29/08/14/631290814.db2.gz XLOCMZQOJYFWSK-SFHVURJKSA-N 1 1 296.414 2.645 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)cc1 ZINC000840977827 631292703 /nfs/dbraw/zinc/29/27/03/631292703.db2.gz KDIWLQFQUPLQSJ-IJEWVQPXSA-N 1 1 288.391 2.570 20 30 CFEDMO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)Nc2cccc(C#N)c2)C1 ZINC000809996888 631311537 /nfs/dbraw/zinc/31/15/37/631311537.db2.gz QNLDKJCXARCDCS-INIZCTEOSA-N 1 1 289.354 2.709 20 30 CFEDMO C#C[C@@H]([NH2+]Cc1cc(O)cc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000810152882 631336070 /nfs/dbraw/zinc/33/60/70/631336070.db2.gz FXRPUGZMDZKCFO-KGLIPLIRSA-N 1 1 299.292 2.681 20 30 CFEDMO CCCCCCCCC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000841455934 631408856 /nfs/dbraw/zinc/40/88/56/631408856.db2.gz XZWBZRXLUBOFTQ-HOTGVXAUSA-N 1 1 298.471 2.651 20 30 CFEDMO CC([NH2+]Nc1ccc(S(C)(=O)=O)cc1)=C1CC1(F)F ZINC000841617146 631432587 /nfs/dbraw/zinc/43/25/87/631432587.db2.gz FJWVMTDOMKGKCZ-NSHDSACASA-N 1 1 288.319 2.533 20 30 CFEDMO CCC(=NNC1=[NH+]CCN1)c1ccc(Cl)c(Cl)c1 ZINC000841662813 631447157 /nfs/dbraw/zinc/44/71/57/631447157.db2.gz RUJLYNQBRPMHPB-UHFFFAOYSA-N 1 1 285.178 2.656 20 30 CFEDMO N#Cc1ccc(CCC(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000810838540 631452605 /nfs/dbraw/zinc/45/26/05/631452605.db2.gz QKJOFNYHOYBUTF-IRXDYDNUSA-N 1 1 298.386 2.661 20 30 CFEDMO CC(C)C[N@H+](CCC#N)Cc1ccccc1C(=O)N(C)C ZINC000841829492 631477832 /nfs/dbraw/zinc/47/78/32/631477832.db2.gz HUBMYIFKRWTYDP-UHFFFAOYSA-N 1 1 287.407 2.760 20 30 CFEDMO CC(C)C[N@@H+](CCC#N)Cc1ccccc1C(=O)N(C)C ZINC000841829492 631477834 /nfs/dbraw/zinc/47/78/34/631477834.db2.gz HUBMYIFKRWTYDP-UHFFFAOYSA-N 1 1 287.407 2.760 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[NH2+]CC2(C#N)CCC2)cc1 ZINC000841898317 631491538 /nfs/dbraw/zinc/49/15/38/631491538.db2.gz MRLZRRUVBZZAGH-CYBMUJFWSA-N 1 1 269.348 2.761 20 30 CFEDMO N#CC1(CO[NH+]=C(N)CCc2ccccc2)CCC1 ZINC000842026338 631504622 /nfs/dbraw/zinc/50/46/22/631504622.db2.gz CIBDIRXSMJJRES-UHFFFAOYSA-N 1 1 257.337 2.812 20 30 CFEDMO C#Cc1ccccc1CC(=O)OCCCCn1cc[nH+]c1C ZINC000811258718 631542203 /nfs/dbraw/zinc/54/22/03/631542203.db2.gz YTHZXNVZRVNPPE-UHFFFAOYSA-N 1 1 296.370 2.739 20 30 CFEDMO C[C@@H](c1ccccn1)[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842153724 631555285 /nfs/dbraw/zinc/55/52/85/631555285.db2.gz OUACXFFVNOOCPQ-GUYCJALGSA-N 1 1 281.359 2.680 20 30 CFEDMO C=C(CC)COC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000811444592 631563769 /nfs/dbraw/zinc/56/37/69/631563769.db2.gz JGEUSNJNXVYHMH-AWEZNQCLSA-N 1 1 257.349 2.708 20 30 CFEDMO C[C@@H]1C(=NOC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000811648802 631592643 /nfs/dbraw/zinc/59/26/43/631592643.db2.gz QYFDFXFZGQRYDC-CQSZACIVSA-N 1 1 288.391 2.832 20 30 CFEDMO C[C@H](COc1ccccc1)NN=C1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000811667304 631602049 /nfs/dbraw/zinc/60/20/49/631602049.db2.gz RQRNQYNSZTWYJU-KGLIPLIRSA-N 1 1 287.407 2.656 20 30 CFEDMO C[C@H](COc1ccccc1)NN=C1C[C@H](C)[N@H+](C2CC2)C1 ZINC000811667304 631602053 /nfs/dbraw/zinc/60/20/53/631602053.db2.gz RQRNQYNSZTWYJU-KGLIPLIRSA-N 1 1 287.407 2.656 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CCNc1cc(C#N)ccc1C(C)=O ZINC000811803706 631624085 /nfs/dbraw/zinc/62/40/85/631624085.db2.gz PZCOLFMSZLBJEV-GFCCVEGCSA-N 1 1 273.380 2.903 20 30 CFEDMO C#CCON=C1CCCC[C@H]1[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000812234720 631673178 /nfs/dbraw/zinc/67/31/78/631673178.db2.gz SCZYMNJGYRNRTH-IJEWVQPXSA-N 1 1 262.397 2.913 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](CN2C(=O)[C@@H](C)[C@H]2c2ccccc2)C1 ZINC000842629964 631685691 /nfs/dbraw/zinc/68/56/91/631685691.db2.gz TYWRCJZIWHSMGE-JZXOWHBKSA-N 1 1 296.414 2.899 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cn2ccc(-c3nccs3)n2)C1 ZINC000842630071 631686137 /nfs/dbraw/zinc/68/61/37/631686137.db2.gz WRDBQXNBCUVMPT-ZDUSSCGKSA-N 1 1 286.404 2.699 20 30 CFEDMO C=C[C@@](C)(CCOC)C(=O)OC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000842828692 631754309 /nfs/dbraw/zinc/75/43/09/631754309.db2.gz BNIGFNJYODNOTI-WBVHZDCISA-N 1 1 297.439 2.879 20 30 CFEDMO N#Cc1ccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)nc1 ZINC000812732074 631764334 /nfs/dbraw/zinc/76/43/34/631764334.db2.gz RACIFOKLMJHQBE-KRWDZBQOSA-N 1 1 279.343 2.826 20 30 CFEDMO CC[N@H+](Cc1ccc(O[C@H](C)C#N)cc1)C[C@H](C)OC ZINC000812809382 631788032 /nfs/dbraw/zinc/78/80/32/631788032.db2.gz XQIZTBBSJUKABZ-KGLIPLIRSA-N 1 1 276.380 2.834 20 30 CFEDMO C#CC[N@H+](CCC(=O)Nc1ccccc1)C1CCCC1 ZINC000155733257 650030262 /nfs/dbraw/zinc/03/02/62/650030262.db2.gz WGQJBQMSFBLZJF-UHFFFAOYSA-N 1 1 270.376 2.893 20 30 CFEDMO C#CC[N@@H+](Cc1cccc2c1OCCO2)C1CCCC1 ZINC000155774438 650031264 /nfs/dbraw/zinc/03/12/64/650031264.db2.gz CWLALQHMIIYAFA-UHFFFAOYSA-N 1 1 271.360 2.836 20 30 CFEDMO N#CCC[NH2+]C[C@H](O)c1c(Cl)cccc1Cl ZINC000843082953 631829222 /nfs/dbraw/zinc/82/92/22/631829222.db2.gz FSZKJLVQBOYOMG-JTQLQIEISA-N 1 1 259.136 2.530 20 30 CFEDMO N#CCC[NH2+]C[C@H](O)c1cccc(OCc2ccccc2)c1 ZINC000843099435 631834908 /nfs/dbraw/zinc/83/49/08/631834908.db2.gz SXXCKONHNBVOKY-SFHVURJKSA-N 1 1 296.370 2.802 20 30 CFEDMO C#CCOc1ccc([C@H](C)NCC[N@@H+](CC)C2CC2)cc1 ZINC000155843062 650034178 /nfs/dbraw/zinc/03/41/78/650034178.db2.gz GHUMUTFBWXISPZ-HNNXBMFYSA-N 1 1 286.419 2.834 20 30 CFEDMO C#CCOc1ccc([C@H](C)NCC[N@H+](CC)C2CC2)cc1 ZINC000155843062 650034181 /nfs/dbraw/zinc/03/41/81/650034181.db2.gz GHUMUTFBWXISPZ-HNNXBMFYSA-N 1 1 286.419 2.834 20 30 CFEDMO C[C@@H](CCC#N)C[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000813338701 631908662 /nfs/dbraw/zinc/90/86/62/631908662.db2.gz PDYUVHHMCNGORI-UONOGXRCSA-N 1 1 295.427 2.867 20 30 CFEDMO CC(C)CN(CCC#N)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000813426118 631919759 /nfs/dbraw/zinc/91/97/59/631919759.db2.gz YXUOETXFEKRSKR-MRXNPFEDSA-N 1 1 297.418 2.597 20 30 CFEDMO C[C@H](C#N)Oc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000843421302 631950871 /nfs/dbraw/zinc/95/08/71/631950871.db2.gz WULIQEVMAXZEOQ-UNEWFSDZSA-N 1 1 286.375 2.588 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1 ZINC000843423494 631951651 /nfs/dbraw/zinc/95/16/51/631951651.db2.gz FSMGHTJDLOAZQL-ZDUSSCGKSA-N 1 1 257.333 2.651 20 30 CFEDMO C#CC[C@@H]1CCC[N@@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000843422942 631952480 /nfs/dbraw/zinc/95/24/80/631952480.db2.gz JUNBDCHOJZVVHR-CYBMUJFWSA-N 1 1 255.365 2.589 20 30 CFEDMO C#CC[C@H]1CCC[N@H+](Cc2cc(C(=O)OCC)c(C)[nH]2)C1 ZINC000843424389 631952987 /nfs/dbraw/zinc/95/29/87/631952987.db2.gz ZMUGGMNDAQYUNG-AWEZNQCLSA-N 1 1 288.391 2.735 20 30 CFEDMO C#CC[C@H]1CCC[N@@H+](Cc2ccccc2-n2cncn2)C1 ZINC000843423821 631953118 /nfs/dbraw/zinc/95/31/18/631953118.db2.gz KNBPPOSZTITYFE-HNNXBMFYSA-N 1 1 280.375 2.503 20 30 CFEDMO C#CCOc1ccc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000814178479 632024409 /nfs/dbraw/zinc/02/44/09/632024409.db2.gz RAAQAHHRGAGCFT-SFHVURJKSA-N 1 1 299.414 2.947 20 30 CFEDMO C#CCCCCCC(=O)N(CCC)[C@H]1CC[N@@H+](C)C1 ZINC000843988345 632088543 /nfs/dbraw/zinc/08/85/43/632088543.db2.gz IXRBYICYDLRGIN-HNNXBMFYSA-N 1 1 264.413 2.513 20 30 CFEDMO Cc1cc(F)ccc1[C@H](O)C[N@@H+](C)CC(C)(C)C#N ZINC000814670429 632105611 /nfs/dbraw/zinc/10/56/11/632105611.db2.gz RXTOSICTGZUMOF-CQSZACIVSA-N 1 1 264.344 2.649 20 30 CFEDMO Cc1cc(F)ccc1[C@H](O)C[N@H+](C)CC(C)(C)C#N ZINC000814670429 632105612 /nfs/dbraw/zinc/10/56/12/632105612.db2.gz RXTOSICTGZUMOF-CQSZACIVSA-N 1 1 264.344 2.649 20 30 CFEDMO C[N@@H+](C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)CC(C)(C)C#N ZINC000814670568 632105715 /nfs/dbraw/zinc/10/57/15/632105715.db2.gz YWJDREDLVLUUEG-ZDUSSCGKSA-N 1 1 295.427 2.725 20 30 CFEDMO C[C@@H]1C(N=Nc2ncccn2)CCC[N@H+]1Cc1ccccc1 ZINC000814797348 632126047 /nfs/dbraw/zinc/12/60/47/632126047.db2.gz LGNYWSDKKOIMML-CQSZACIVSA-N 1 1 295.390 2.929 20 30 CFEDMO C[C@@H](CC#N)NN=C1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000814881575 632146897 /nfs/dbraw/zinc/14/68/97/632146897.db2.gz RWISUDZBOYYHNG-GJZGRUSLSA-N 1 1 284.407 2.919 20 30 CFEDMO C[C@@H](CC#N)NN=C1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000814881575 632146902 /nfs/dbraw/zinc/14/69/02/632146902.db2.gz RWISUDZBOYYHNG-GJZGRUSLSA-N 1 1 284.407 2.919 20 30 CFEDMO N#C[C@@H]1CCCC(=[NH+]n2cc(Br)cn2)C1 ZINC000814884249 632148495 /nfs/dbraw/zinc/14/84/95/632148495.db2.gz FRVBUOFQOKCPHF-MRVPVSSYSA-N 1 1 267.130 2.563 20 30 CFEDMO COc1cccc(/C=N/CCC[N@@H+](C)CC(C)C)c1O ZINC000844272025 632151068 /nfs/dbraw/zinc/15/10/68/632151068.db2.gz UESPZUGNVDSCKE-GZTJUZNOSA-N 1 1 278.396 2.798 20 30 CFEDMO C=CCCCCC[N@H+](C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844298268 632161190 /nfs/dbraw/zinc/16/11/90/632161190.db2.gz JTAMTQABFBFJQI-AWEZNQCLSA-N 1 1 266.385 2.648 20 30 CFEDMO C#CC[N@H+](C)CCCNc1c(C)cnc2c(OC)cccc21 ZINC000814928238 632168973 /nfs/dbraw/zinc/16/89/73/632168973.db2.gz BQZKMXYTWLALHF-UHFFFAOYSA-N 1 1 297.402 2.919 20 30 CFEDMO C#CC[N@@H+](C)CCCNc1ccc2ccc(F)cc2n1 ZINC000814929013 632169249 /nfs/dbraw/zinc/16/92/49/632169249.db2.gz FQDXLHCKRFCVEJ-UHFFFAOYSA-N 1 1 271.339 2.741 20 30 CFEDMO CC(=[NH+]NC[C@H]1CCSC1)c1cc(F)c(N)c(F)c1 ZINC000814935605 632172689 /nfs/dbraw/zinc/17/26/89/632172689.db2.gz PDXHPDHAPHIVQU-SECBINFHSA-N 1 1 285.363 2.614 20 30 CFEDMO COC(=O)c1cc(N[NH+]=C(C)c2ccc(N)nc2)ccc1C ZINC000814938079 632174565 /nfs/dbraw/zinc/17/45/65/632174565.db2.gz VJSGKVPDSAJFMC-UHFFFAOYSA-N 1 1 298.346 2.595 20 30 CFEDMO CC[C@@H](C)CON=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000814939341 632175190 /nfs/dbraw/zinc/17/51/90/632175190.db2.gz NMGFDDZCEIXYTO-YUELXQCFSA-N 1 1 268.401 2.678 20 30 CFEDMO C[N@@H+](C[C@H](O)c1cccc(C#N)c1)C[C@H]1CCC(F)(F)C1 ZINC000844370832 632183654 /nfs/dbraw/zinc/18/36/54/632183654.db2.gz JYZNUDFWIQJAPK-ZFWWWQNUSA-N 1 1 294.345 2.959 20 30 CFEDMO CCOc1ccc(N[NH+]=Cc2cnccc2N(C)C)cc1 ZINC000814985462 632186504 /nfs/dbraw/zinc/18/65/04/632186504.db2.gz HNULVFVLVHOMNE-UHFFFAOYSA-N 1 1 284.363 2.992 20 30 CFEDMO COc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C#N)C2)cc1F ZINC000815010219 632187665 /nfs/dbraw/zinc/18/76/65/632187665.db2.gz PXHQJIUOSUSLNV-AAEUAGOBSA-N 1 1 262.328 2.958 20 30 CFEDMO N#CCCOCC[N@@H+](CCc1ccccc1)C1CC1 ZINC000815028001 632189704 /nfs/dbraw/zinc/18/97/04/632189704.db2.gz NQWLRGWUHVKZCW-UHFFFAOYSA-N 1 1 258.365 2.624 20 30 CFEDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC000815051391 632192017 /nfs/dbraw/zinc/19/20/17/632192017.db2.gz RKBFOPTUIJFGMC-CHWSQXEVSA-N 1 1 281.400 2.525 20 30 CFEDMO C#CCNC(=O)CC[N@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000815062388 632194349 /nfs/dbraw/zinc/19/43/49/632194349.db2.gz RSRSKODGBXWVGA-MRXNPFEDSA-N 1 1 276.424 2.561 20 30 CFEDMO C#CCNC(=O)CC[N@H+]1CCCC[C@H]1CCc1ccccc1 ZINC000815077850 632197105 /nfs/dbraw/zinc/19/71/05/632197105.db2.gz GSAVPRLXVWACBN-SFHVURJKSA-N 1 1 298.430 2.613 20 30 CFEDMO C=CCOCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000815083818 632198376 /nfs/dbraw/zinc/19/83/76/632198376.db2.gz DSAPTVLSZXVJRL-KGLIPLIRSA-N 1 1 298.427 2.519 20 30 CFEDMO C=CCOCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000815083818 632198379 /nfs/dbraw/zinc/19/83/79/632198379.db2.gz DSAPTVLSZXVJRL-KGLIPLIRSA-N 1 1 298.427 2.519 20 30 CFEDMO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1oc2c(cccc2C)c1C ZINC000844421876 632204475 /nfs/dbraw/zinc/20/44/75/632204475.db2.gz XRRBRPJSSHRZSO-AWEZNQCLSA-N 1 1 298.386 2.619 20 30 CFEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)Cc1oc2c(cccc2C)c1C ZINC000844421876 632204481 /nfs/dbraw/zinc/20/44/81/632204481.db2.gz XRRBRPJSSHRZSO-AWEZNQCLSA-N 1 1 298.386 2.619 20 30 CFEDMO C=CC[C@@H]([NH2+]Cc1cnn(C)c1Cl)c1ccncc1 ZINC000815124731 632207855 /nfs/dbraw/zinc/20/78/55/632207855.db2.gz JFBXMUIUNSIYME-CYBMUJFWSA-N 1 1 276.771 2.876 20 30 CFEDMO N#CCC[C@H](C#N)C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844432627 632208810 /nfs/dbraw/zinc/20/88/10/632208810.db2.gz AZAJCWGQIKHHGL-NEPJUHHUSA-N 1 1 253.296 2.551 20 30 CFEDMO N#CCC[C@H](C#N)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844432627 632208815 /nfs/dbraw/zinc/20/88/15/632208815.db2.gz AZAJCWGQIKHHGL-NEPJUHHUSA-N 1 1 253.296 2.551 20 30 CFEDMO C=C(C)CO[NH+]=Cc1ccc(N2CCOCC2)s1 ZINC000844614569 632263683 /nfs/dbraw/zinc/26/36/83/632263683.db2.gz HBBIUAJPPBLVDY-UHFFFAOYSA-N 1 1 266.366 2.511 20 30 CFEDMO CC(C)C[N@@H+](C)CCCNC(=O)/C=C\c1ccccc1C#N ZINC000844655621 632275818 /nfs/dbraw/zinc/27/58/18/632275818.db2.gz MJRMNGIQULDFNN-KTKRTIGZSA-N 1 1 299.418 2.666 20 30 CFEDMO C=CCC(F)(F)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000815605823 632296270 /nfs/dbraw/zinc/29/62/70/632296270.db2.gz GSZHVECBUKXRQH-LBPRGKRZSA-N 1 1 274.355 2.579 20 30 CFEDMO C=CCC(F)(F)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000815847342 632326360 /nfs/dbraw/zinc/32/63/60/632326360.db2.gz LXGXRABZHVIQKU-CYBMUJFWSA-N 1 1 288.382 2.682 20 30 CFEDMO C#C[C@@H](C)[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000816606974 632492819 /nfs/dbraw/zinc/49/28/19/632492819.db2.gz AMLYVPXVWNSYGL-LLVKDONJSA-N 1 1 258.346 2.937 20 30 CFEDMO C=CCC(F)(F)C(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000816650068 632504672 /nfs/dbraw/zinc/50/46/72/632504672.db2.gz TVOSFEHCKRTXEG-UHFFFAOYSA-N 1 1 294.345 2.541 20 30 CFEDMO CC[C@@H]1C[N@@H+](C)CCN1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000816660645 632506479 /nfs/dbraw/zinc/50/64/79/632506479.db2.gz LFYJIFBMBLYYCG-GDBMZVCRSA-N 1 1 287.407 2.503 20 30 CFEDMO CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000816660645 632506485 /nfs/dbraw/zinc/50/64/85/632506485.db2.gz LFYJIFBMBLYYCG-GDBMZVCRSA-N 1 1 287.407 2.503 20 30 CFEDMO CC[C@@H]1CN(C)CC[N@H+]1Cc1ccc(O[C@H](C)C#N)cc1 ZINC000816660645 632506487 /nfs/dbraw/zinc/50/64/87/632506487.db2.gz LFYJIFBMBLYYCG-GDBMZVCRSA-N 1 1 287.407 2.503 20 30 CFEDMO CCCCCCCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000816750322 632519589 /nfs/dbraw/zinc/51/95/89/632519589.db2.gz LIGLGQVUQGCXFD-HOTGVXAUSA-N 1 1 296.455 2.669 20 30 CFEDMO C=C[C@@](C)(CCOC)C(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845729544 632537055 /nfs/dbraw/zinc/53/70/55/632537055.db2.gz ATCYQDPQSNWMSZ-BBRMVZONSA-N 1 1 283.412 2.631 20 30 CFEDMO C=C(C)[C@@H](CC(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C)OCC ZINC000845733920 632540361 /nfs/dbraw/zinc/54/03/61/632540361.db2.gz MVNAZHBOMRCGCS-UONOGXRCSA-N 1 1 283.412 2.774 20 30 CFEDMO C=CCC(F)(F)C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000817021866 632546900 /nfs/dbraw/zinc/54/69/00/632546900.db2.gz YIXUTGLPCAXHHQ-GFCCVEGCSA-N 1 1 286.366 2.531 20 30 CFEDMO C=CCC[N@@H+]1CC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001010516717 651177322 /nfs/dbraw/zinc/17/73/22/651177322.db2.gz IOZATBBPKJNEFD-OAHLLOKOSA-N 1 1 262.397 2.644 20 30 CFEDMO CCC[C@@H](C)C[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000846006937 632611786 /nfs/dbraw/zinc/61/17/86/632611786.db2.gz LTJVVPYOUMAKHB-CZUORRHYSA-N 1 1 260.381 2.960 20 30 CFEDMO CC(C)n1cc(C[N@@H+](C)C[C@H](O)c2cccc(C#N)c2)cn1 ZINC000846006021 632612248 /nfs/dbraw/zinc/61/22/48/632612248.db2.gz FZTGUNNMGKGXMX-KRWDZBQOSA-N 1 1 298.390 2.501 20 30 CFEDMO C[N@H+](Cc1cc(C#N)cs1)C[C@H](O)c1cccc(C#N)c1 ZINC000846006317 632612285 /nfs/dbraw/zinc/61/22/85/632612285.db2.gz IEGYEGDAVAVMPV-INIZCTEOSA-N 1 1 297.383 2.657 20 30 CFEDMO CC[C@@H]1C[N@H+](Cc2ccc(O[C@@H](C)C#N)cc2)[C@@H](C)CO1 ZINC000846044063 632622541 /nfs/dbraw/zinc/62/25/41/632622541.db2.gz PEPKYOKEWDKPCC-OFQRWUPVSA-N 1 1 288.391 2.977 20 30 CFEDMO CC[C@@H]1C[N@@H+](Cc2ccc(O[C@@H](C)C#N)cc2)[C@@H](C)CO1 ZINC000846044063 632622544 /nfs/dbraw/zinc/62/25/44/632622544.db2.gz PEPKYOKEWDKPCC-OFQRWUPVSA-N 1 1 288.391 2.977 20 30 CFEDMO C#CCOc1ccccc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000817418995 632627650 /nfs/dbraw/zinc/62/76/50/632627650.db2.gz NTXQTJNPIGDBPL-INIZCTEOSA-N 1 1 287.403 2.683 20 30 CFEDMO C=CCC(C)(C)CNC(=O)CCCn1cc[nH+]c1C ZINC000817457210 632641032 /nfs/dbraw/zinc/64/10/32/632641032.db2.gz NAFAZRLTXIEUKS-UHFFFAOYSA-N 1 1 263.385 2.690 20 30 CFEDMO CN(CCC#N)c1ccc(C[N@H+]2CCC[C@H](F)C2)cc1 ZINC000846123537 632641454 /nfs/dbraw/zinc/64/14/54/632641454.db2.gz ZMMZKXASHHBLDS-HNNXBMFYSA-N 1 1 275.371 2.970 20 30 CFEDMO C#C[C@H]([NH2+][C@@H](C)c1ccncc1Cl)[C@@H]1CCCO1 ZINC000817583687 632670467 /nfs/dbraw/zinc/67/04/67/632670467.db2.gz GTAZPJLGRDIBAO-BPNCWPANSA-N 1 1 264.756 2.566 20 30 CFEDMO C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(Cl)cc1OC ZINC000817586047 632671254 /nfs/dbraw/zinc/67/12/54/632671254.db2.gz SJCUFXCNVWVZTB-CYBMUJFWSA-N 1 1 294.826 2.954 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@H](C)c1ccc(Cl)cc1OC ZINC000817586047 632671258 /nfs/dbraw/zinc/67/12/58/632671258.db2.gz SJCUFXCNVWVZTB-CYBMUJFWSA-N 1 1 294.826 2.954 20 30 CFEDMO C[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(OCC#N)cc1 ZINC000817981299 632777631 /nfs/dbraw/zinc/77/76/31/632777631.db2.gz IQVJKXSLRLWXLA-DYVFJYSZSA-N 1 1 287.407 2.757 20 30 CFEDMO C=CCCn1cc(C[N@H+](C)[C@@H]2CCc3ccccc3C2)nn1 ZINC000846809588 632806677 /nfs/dbraw/zinc/80/66/77/632806677.db2.gz VGDXFRBZURORBU-GOSISDBHSA-N 1 1 296.418 2.844 20 30 CFEDMO CC(C)n1cncc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000818192263 632810851 /nfs/dbraw/zinc/81/08/51/632810851.db2.gz CAKIMRBHAVNQMP-UHFFFAOYSA-N 1 1 272.327 2.765 20 30 CFEDMO N#C[C@H]1CC[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000818230100 632817245 /nfs/dbraw/zinc/81/72/45/632817245.db2.gz DGVIXPFJOKRYTL-DTWKUNHWSA-N 1 1 268.719 2.967 20 30 CFEDMO C=CCCn1cc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)nn1 ZINC000846862811 632825048 /nfs/dbraw/zinc/82/50/48/632825048.db2.gz XMKLVBQWCUJDBF-CQSZACIVSA-N 1 1 299.422 2.771 20 30 CFEDMO C=CCn1cc(C[NH2+][C@H]2CCc3cc(C)ccc32)nn1 ZINC000818346141 632835060 /nfs/dbraw/zinc/83/50/60/632835060.db2.gz JGWDIPNNNCNIOR-INIZCTEOSA-N 1 1 268.364 2.550 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000846992167 632871677 /nfs/dbraw/zinc/87/16/77/632871677.db2.gz KHIAWPZLMJPYNW-STQMWFEESA-N 1 1 297.196 2.764 20 30 CFEDMO CC[C@@H](CC#N)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000846993600 632872854 /nfs/dbraw/zinc/87/28/54/632872854.db2.gz OXLFXAWRZPAUNF-INIZCTEOSA-N 1 1 285.391 2.704 20 30 CFEDMO C#CC[N@H+](C)CCCNC(=O)[C@@H](C)CCC(C)(C)C ZINC000818593197 632874318 /nfs/dbraw/zinc/87/43/18/632874318.db2.gz PAFUQHLZHCOYDY-AWEZNQCLSA-N 1 1 266.429 2.520 20 30 CFEDMO C#CCCC[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000846999775 632875266 /nfs/dbraw/zinc/87/52/66/632875266.db2.gz IRSZOJGJWREPNV-QAQDUYKDSA-N 1 1 287.403 2.911 20 30 CFEDMO C#CC[C@@H]1CCC[N@H+](Cc2cc3ccccc3n(C)c2=O)C1 ZINC000847000769 632876380 /nfs/dbraw/zinc/87/63/80/632876380.db2.gz AUZVYZRYGXRNOP-OAHLLOKOSA-N 1 1 294.398 2.774 20 30 CFEDMO C#CC[N@@H+](C)CCCNC(=O)C[C@H]1CCCC(C)(C)C1 ZINC000818606618 632877430 /nfs/dbraw/zinc/87/74/30/632877430.db2.gz ZPJOPJZBZMNNQI-OAHLLOKOSA-N 1 1 278.440 2.664 20 30 CFEDMO C#C[C@H]1CCC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000847017766 632882890 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253.317 2.775 20 30 CFEDMO Clc1ccc(C#CC[N@H+]2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000886560046 647047154 /nfs/dbraw/zinc/04/71/54/647047154.db2.gz LPFFHPQHKNSXDL-OKILXGFUSA-N 1 1 277.820 2.986 20 30 CFEDMO C=CCC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC000886613690 647068305 /nfs/dbraw/zinc/06/83/05/647068305.db2.gz BNAVZUJKWGIGNP-XQQFMLRXSA-N 1 1 277.330 2.978 20 30 CFEDMO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886628353 647076367 /nfs/dbraw/zinc/07/63/67/647076367.db2.gz NWBJKDXQFDLWBT-SUNKGSAMSA-N 1 1 265.328 2.773 20 30 CFEDMO Cc1cc(C[N@H+]2CC[C@@]3(CO)CCC[C@@H]23)ccc1C#N ZINC000886632934 647079348 /nfs/dbraw/zinc/07/93/48/647079348.db2.gz KBEZLWKMSLJGCT-IAGOWNOFSA-N 1 1 270.376 2.604 20 30 CFEDMO C=CCn1cc2ccc(NC(=O)C[N@H+](C)CCC)cc2n1 ZINC000886647638 647087168 /nfs/dbraw/zinc/08/71/68/647087168.db2.gz WLQPLZQQKDBXMF-UHFFFAOYSA-N 1 1 286.379 2.503 20 30 CFEDMO C=CCCCC[C@@H](C)[NH2+]Cc1nnc(CSC)[nH]1 ZINC000886759430 647128853 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ZINC000886808529 647147803 /nfs/dbraw/zinc/14/78/03/647147803.db2.gz KWDGMFGASZUMNQ-BXUZGUMPSA-N 1 1 298.308 2.866 20 30 CFEDMO Cc1ccc(C[N@H+]2CC[C@@H]([C@H]3CCCO3)C2)cc1C#N ZINC000886815816 647148955 /nfs/dbraw/zinc/14/89/55/647148955.db2.gz KFHRKLXBWMFYGK-NVXWUHKLSA-N 1 1 270.376 2.868 20 30 CFEDMO N#Cc1ccc(CC[N@H+]2CC[C@H]([C@H]3CCCO3)C2)cc1 ZINC000886816512 647150195 /nfs/dbraw/zinc/15/01/95/647150195.db2.gz UZCBLDOVPDKWFN-DLBZAZTESA-N 1 1 270.376 2.602 20 30 CFEDMO COc1ccc(C[N@H+]2CC[C@@H]([C@@H]3CCCO3)C2)cc1C#N ZINC000886821691 647152640 /nfs/dbraw/zinc/15/26/40/647152640.db2.gz GATQQJWJGIPCBF-PBHICJAKSA-N 1 1 286.375 2.568 20 30 CFEDMO COc1ccc(C#N)cc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886822734 647153657 /nfs/dbraw/zinc/15/36/57/647153657.db2.gz UKNCXHIERHHVRU-WMLDXEAASA-N 1 1 286.375 2.568 20 30 CFEDMO C[N@@H+](CCc1ccc2c(c1)OCO2)Cc1cccc(C#N)c1 ZINC000887093223 647208999 /nfs/dbraw/zinc/20/89/99/647208999.db2.gz DTTKLIIERUWIPJ-UHFFFAOYSA-N 1 1 294.354 2.961 20 30 CFEDMO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+](C)CCCF ZINC000887140162 647228937 /nfs/dbraw/zinc/22/89/37/647228937.db2.gz SNWXDIVIJQYSNU-AWEZNQCLSA-N 1 1 291.370 2.613 20 30 CFEDMO CCCC(C#N)(CCC)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000889453661 647574322 /nfs/dbraw/zinc/57/43/22/647574322.db2.gz WELHHYBMEKLYKE-KBPBESRZSA-N 1 1 279.428 2.695 20 30 CFEDMO C=CC[NH+](CC=C)[C@H](CN[C@H](C)c1ccnnc1)C(C)C ZINC000924642712 648016574 /nfs/dbraw/zinc/01/65/74/648016574.db2.gz JDFYFJFCNJMUSD-NVXWUHKLSA-N 1 1 288.439 2.826 20 30 CFEDMO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(C#N)cc2)nn1 ZINC000924699175 648030519 /nfs/dbraw/zinc/03/05/19/648030519.db2.gz IJRAAHZIZZORAC-LBPRGKRZSA-N 1 1 269.352 2.581 20 30 CFEDMO CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1cccc(C#N)c1[O-] ZINC000924708801 648031412 /nfs/dbraw/zinc/03/14/12/648031412.db2.gz ZUFDENYPVNKNDV-BBRMVZONSA-N 1 1 287.407 2.646 20 30 CFEDMO C=CC[NH+]1CCC(N[C@H](C)c2cnn(C3CCC3)c2)CC1 ZINC000924983083 648084132 /nfs/dbraw/zinc/08/41/32/648084132.db2.gz 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ZINC000929464905 649054363 /nfs/dbraw/zinc/05/43/63/649054363.db2.gz PZJRFRCPSJHZGK-UHFFFAOYSA-N 1 1 288.782 2.967 20 30 CFEDMO COC(=O)[C@@H](C)C[N@@H+](CC1CCC(C#N)CC1)C1CC1 ZINC000929478910 649057357 /nfs/dbraw/zinc/05/73/57/649057357.db2.gz DHOMSFHPIRHUMT-HSBZDZAISA-N 1 1 278.396 2.590 20 30 CFEDMO CC[N@H+]1CCCN(Cc2cc(Cl)cc(C#N)c2)CC1 ZINC000929482859 649057771 /nfs/dbraw/zinc/05/77/71/649057771.db2.gz UGIMUVDFAKXUEU-UHFFFAOYSA-N 1 1 277.799 2.739 20 30 CFEDMO C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C#N)c1 ZINC000929594347 649073298 /nfs/dbraw/zinc/07/32/98/649073298.db2.gz CVWPEIUCIDNMNB-NHYWBVRUSA-N 1 1 278.783 2.947 20 30 CFEDMO C[C@H](O)[C@@H]1CCCC[N@H+]1CC1CCC(C#N)CC1 ZINC000929594911 649073322 /nfs/dbraw/zinc/07/33/22/649073322.db2.gz JZAZNZIQSTXHPU-PPWQZUPISA-N 1 1 250.386 2.552 20 30 CFEDMO N#CC1CCC(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000929605577 649077437 /nfs/dbraw/zinc/07/74/37/649077437.db2.gz ZYNZRFVCLYNXIT-FIYWTHMPSA-N 1 1 290.329 2.704 20 30 CFEDMO COC(=O)CC[N@@H+](CC1CCC(C#N)CC1)C(C)C ZINC000929634543 649083084 /nfs/dbraw/zinc/08/30/84/649083084.db2.gz GPPALUOEYVTMAU-UHFFFAOYSA-N 1 1 266.385 2.590 20 30 CFEDMO CCC[N@@H+](C[C@H](O)CC#N)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000929706022 649101996 /nfs/dbraw/zinc/10/19/96/649101996.db2.gz ZRCYGRYFJOFLGA-OWCLPIDISA-N 1 1 294.439 2.711 20 30 CFEDMO CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H](O)CC#N ZINC000929722791 649106290 /nfs/dbraw/zinc/10/62/90/649106290.db2.gz BPOVCCHEGWUIRU-HZPDHXFCSA-N 1 1 260.381 2.523 20 30 CFEDMO CC[N@@H+](CCC#N)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000929774073 649117518 /nfs/dbraw/zinc/11/75/18/649117518.db2.gz ICRHCQQEBIDLQY-KGLIPLIRSA-N 1 1 295.427 2.915 20 30 CFEDMO Cc1cccc([C@H](O)C[N@H+](CCC#N)CC2CC2)c1 ZINC000929775718 649118085 /nfs/dbraw/zinc/11/80/85/649118085.db2.gz RVIWZOMCRNLUOW-MRXNPFEDSA-N 1 1 258.365 2.654 20 30 CFEDMO Cc1cccc([C@H](O)C[N@@H+](CCC#N)CC2CC2)c1 ZINC000929775718 649118091 /nfs/dbraw/zinc/11/80/91/649118091.db2.gz RVIWZOMCRNLUOW-MRXNPFEDSA-N 1 1 258.365 2.654 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@H+](C)Cc1cnccn1 ZINC000929799195 649125970 /nfs/dbraw/zinc/12/59/70/649125970.db2.gz VBWHBHWHWJRJRL-UHFFFAOYSA-N 1 1 266.348 2.597 20 30 CFEDMO Cc1cc(C#N)cc(C)c1C[N@@H+](C)Cc1cnccn1 ZINC000929799195 649125974 /nfs/dbraw/zinc/12/59/74/649125974.db2.gz VBWHBHWHWJRJRL-UHFFFAOYSA-N 1 1 266.348 2.597 20 30 CFEDMO C[C@@H]1OCC[N@@H+](CCCCC2(C#N)CCC2)[C@H]1C ZINC000929842061 649136982 /nfs/dbraw/zinc/13/69/82/649136982.db2.gz BKKSYEPFAXTZFG-KBPBESRZSA-N 1 1 250.386 2.960 20 30 CFEDMO C[N@@H+](CC1CCC(C#N)CC1)[C@H](CO)C(C)(C)C ZINC000930057121 649174337 /nfs/dbraw/zinc/17/43/37/649174337.db2.gz PXESRCJQMHCTNM-JXQTWKCFSA-N 1 1 252.402 2.655 20 30 CFEDMO CCOCCO[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000930069075 649178286 /nfs/dbraw/zinc/17/82/86/649178286.db2.gz MTUDUYZYUFPXLI-INIZCTEOSA-N 1 1 294.439 2.978 20 30 CFEDMO CC(C)[C@H](C#N)N1CC[NH+](Cc2ccc3cc[nH]c3c2)CC1 ZINC000930115681 649187591 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ZINC001089296252 779141980 /nfs/dbraw/zinc/14/19/80/779141980.db2.gz PQLFNZRXBINTCR-CQSZACIVSA-N 1 1 264.413 2.579 20 30 CFEDMO COC(C)(C)[C@@H]1CCC[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237614213 779143355 /nfs/dbraw/zinc/14/33/55/779143355.db2.gz NPNZQYKCGQBBGB-HNNXBMFYSA-N 1 1 298.390 2.595 20 30 CFEDMO C[C@@H]1CCC[N@@H+](Cc2cn3cc(C#N)ccc3n2)[C@@H]1C ZINC001237615672 779144114 /nfs/dbraw/zinc/14/41/14/779144114.db2.gz YLHLSPOTWGSPHE-CHWSQXEVSA-N 1 1 268.364 2.826 20 30 CFEDMO CC(C)[C@@H]1CCC[N@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237618145 779144547 /nfs/dbraw/zinc/14/45/47/779144547.db2.gz PNJVMUCEEQBLRL-HNNXBMFYSA-N 1 1 268.364 2.826 20 30 CFEDMO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CC1CCC1 ZINC001272517655 779164397 /nfs/dbraw/zinc/16/43/97/779164397.db2.gz VYLFQGGZFXWHKO-QGZVFWFLSA-N 1 1 276.424 2.820 20 30 CFEDMO C#CC[NH+](CC#C)Cc1ccc(OC(C)C)c(C)c1 ZINC001237731183 779170199 /nfs/dbraw/zinc/17/01/99/779170199.db2.gz OCNFMPXWTUFAAO-UHFFFAOYSA-N 1 1 255.361 2.851 20 30 CFEDMO C=CC[NH+]1CCN(Cc2cccc(Cl)c2C)CC1 ZINC001237733142 779170222 /nfs/dbraw/zinc/17/02/22/779170222.db2.gz APJVRCKDBKHXGP-UHFFFAOYSA-N 1 1 264.800 2.952 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@](F)(CO)CC2)c1 ZINC001237747213 779173033 /nfs/dbraw/zinc/17/30/33/779173033.db2.gz SHPVTSZSOODSRG-OAHLLOKOSA-N 1 1 296.773 2.898 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](F)[C@@H](O)CC2)c1 ZINC001237747400 779173214 /nfs/dbraw/zinc/17/32/14/779173214.db2.gz VUYNGTQYZRLSOJ-KGLIPLIRSA-N 1 1 282.746 2.506 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](F)[C@@H](O)CC2)c1 ZINC001237747400 779173221 /nfs/dbraw/zinc/17/32/21/779173221.db2.gz VUYNGTQYZRLSOJ-KGLIPLIRSA-N 1 1 282.746 2.506 20 30 CFEDMO C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)C[C@H](C)[N@@H+]1C ZINC001237751012 779174136 /nfs/dbraw/zinc/17/41/36/779174136.db2.gz DZIPUJORZIFAIL-TXEJJXNPSA-N 1 1 277.799 2.736 20 30 CFEDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc(Cl)cc(C#N)c3)C[C@@H]21 ZINC001237754416 779175689 /nfs/dbraw/zinc/17/56/89/779175689.db2.gz KZEFDYNAXKQMQE-ZBFHGGJFSA-N 1 1 289.810 2.738 20 30 CFEDMO C[N@@H+](C1CC1)[C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001237754883 779175700 /nfs/dbraw/zinc/17/57/00/779175700.db2.gz YGXWXFOJXGPWQI-INIZCTEOSA-N 1 1 289.810 2.880 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]3(CCO3)C2)c1 ZINC001237752801 779175971 /nfs/dbraw/zinc/17/59/71/779175971.db2.gz ZHFGGCXNPHVQII-HNNXBMFYSA-N 1 1 276.767 2.967 20 30 CFEDMO N#Cc1cc(Cl)cc(C[N@H+]2CCC[C@]3(CCO3)C2)c1 ZINC001237752801 779175973 /nfs/dbraw/zinc/17/59/73/779175973.db2.gz ZHFGGCXNPHVQII-HNNXBMFYSA-N 1 1 276.767 2.967 20 30 CFEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2ccco2)CC(C)(C)C1 ZINC001089303837 779178532 /nfs/dbraw/zinc/17/85/32/779178532.db2.gz UMMFMHYZVWZGDL-CQSZACIVSA-N 1 1 288.391 2.523 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)c2ccsc2Cl)C1 ZINC001031054410 779201757 /nfs/dbraw/zinc/20/17/57/779201757.db2.gz RSGAKZWWQRRKKG-UHFFFAOYSA-N 1 1 284.812 2.782 20 30 CFEDMO N#C[C@@H]1CC[N@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001237901137 779203393 /nfs/dbraw/zinc/20/33/93/779203393.db2.gz AKOJTQIHXBBCQC-AWEZNQCLSA-N 1 1 270.376 2.926 20 30 CFEDMO N#C[C@@H]1CC[N@@H+](Cc2ccccc2C2CCOCC2)C1 ZINC001237901137 779203400 /nfs/dbraw/zinc/20/34/00/779203400.db2.gz AKOJTQIHXBBCQC-AWEZNQCLSA-N 1 1 270.376 2.926 20 30 CFEDMO C=CCCCCC[N@H+](C)CCCNC(=O)[C@H](C)OCC ZINC001234302904 779205719 /nfs/dbraw/zinc/20/57/19/779205719.db2.gz ZGXIMASQEKYYHF-HNNXBMFYSA-N 1 1 284.444 2.596 20 30 CFEDMO C#CC[NH+](CC#C)Cc1ccccc1C1CCOCC1 ZINC001237912791 779206870 /nfs/dbraw/zinc/20/68/70/779206870.db2.gz JWMJLETWOOVJKD-UHFFFAOYSA-N 1 1 267.372 2.649 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2C=CCC2)CC(C)(C)C1 ZINC001089317410 779227902 /nfs/dbraw/zinc/22/79/02/779227902.db2.gz UIMSSDZYHFVMTD-HOTGVXAUSA-N 1 1 288.435 2.583 20 30 CFEDMO C#CC1CC[NH+](Cc2cnc(F)cc2Cl)CC1 ZINC001238027931 779237943 /nfs/dbraw/zinc/23/79/43/779237943.db2.gz NHOZTYVLIRMTNV-UHFFFAOYSA-N 1 1 252.720 2.719 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@]1(C)CC=CCC1 ZINC001234528101 779241986 /nfs/dbraw/zinc/24/19/86/779241986.db2.gz RYHPLJNIWYHZHR-RDJZCZTQSA-N 1 1 276.424 2.842 20 30 CFEDMO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[N@@H+]1CC ZINC001099204055 779245302 /nfs/dbraw/zinc/24/53/02/779245302.db2.gz WQRNKEDZNSWACW-AWEZNQCLSA-N 1 1 266.429 2.969 20 30 CFEDMO N#Cc1ccc(C[NH+]2CC3(C2)CCOCC3)c(Cl)c1 ZINC001238082617 779249518 /nfs/dbraw/zinc/24/95/18/779249518.db2.gz KLQJMRSAUUWNEE-UHFFFAOYSA-N 1 1 276.767 2.824 20 30 CFEDMO C=CCC[N@@H+]1CC[C@](C)(NC(=O)c2cc(C)ccc2F)C1 ZINC001046653778 779261502 /nfs/dbraw/zinc/26/15/02/779261502.db2.gz YVQNBKZVFAHCKV-KRWDZBQOSA-N 1 1 290.382 2.904 20 30 CFEDMO C[C@]1(O)CCC[N@@H+](Cc2ccc(Cl)c(C#N)c2)CC1 ZINC001238189388 779273231 /nfs/dbraw/zinc/27/32/31/779273231.db2.gz QEEIOOZCOXSSEU-HNNXBMFYSA-N 1 1 278.783 2.949 20 30 CFEDMO N#Cc1cc(C[N@@H+]2CCC[C@H](CCO)C2)ccc1Cl ZINC001238191785 779274635 /nfs/dbraw/zinc/27/46/35/779274635.db2.gz QMRAPRWQKKYORX-GFCCVEGCSA-N 1 1 278.783 2.806 20 30 CFEDMO C[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(C#N)c2)CC[C@H]1O ZINC001238189681 779274655 /nfs/dbraw/zinc/27/46/55/779274655.db2.gz VRDHIEDXYJURGP-IAQYHMDHSA-N 1 1 278.783 2.804 20 30 CFEDMO N#Cc1cc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)ccc1Cl ZINC001238191118 779275003 /nfs/dbraw/zinc/27/50/03/779275003.db2.gz IPWMNWAKIJIXLT-UPUJQMMVSA-N 1 1 288.778 2.821 20 30 CFEDMO CC[N@@H+](CCn1ccnc1)Cc1ccc(Cl)c(C#N)c1 ZINC001238198585 779278677 /nfs/dbraw/zinc/27/86/77/779278677.db2.gz LSEFMVBAEHVAET-UHFFFAOYSA-N 1 1 288.782 2.930 20 30 CFEDMO C[N@H+]1CCC[C@H]2CN(Cc3ccc(Cl)c(C#N)c3)C[C@@H]21 ZINC001238199830 779279280 /nfs/dbraw/zinc/27/92/80/779279280.db2.gz ZOXKUKHWUOJLSP-BBRMVZONSA-N 1 1 289.810 2.738 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H]2C[C@@]2(CC)C(C)C)C1 ZINC001031176352 779279609 /nfs/dbraw/zinc/27/96/09/779279609.db2.gz VJRDXMUFVQBQHK-RDJZCZTQSA-N 1 1 278.440 2.825 20 30 CFEDMO C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)CCCC ZINC001281933351 779288825 /nfs/dbraw/zinc/28/88/25/779288825.db2.gz RJJQMNXKMOKNPH-CVEARBPZSA-N 1 1 278.440 2.759 20 30 CFEDMO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)C1(CF)CC1 ZINC001099225706 779291601 /nfs/dbraw/zinc/29/16/01/779291601.db2.gz ZGWNLRJOMMOCPX-ZDUSSCGKSA-N 1 1 282.403 2.529 20 30 CFEDMO COc1cc(C[N@@H+]2CCC[C@H]2c2cnccn2)ccc1C#N ZINC001238409421 779307715 /nfs/dbraw/zinc/30/77/15/779307715.db2.gz JXQGROBQYXAVJR-INIZCTEOSA-N 1 1 294.358 2.694 20 30 CFEDMO COc1cc(C[N@H+]2CCC[C@H]2c2cnccn2)ccc1C#N ZINC001238409421 779307720 /nfs/dbraw/zinc/30/77/20/779307720.db2.gz JXQGROBQYXAVJR-INIZCTEOSA-N 1 1 294.358 2.694 20 30 CFEDMO C=CCC[C@@H](C)[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cc[nH]c1 ZINC001281940314 779318862 /nfs/dbraw/zinc/31/88/62/779318862.db2.gz RTUFEISIWXHZOR-ZBFHGGJFSA-N 1 1 289.423 2.906 20 30 CFEDMO C#CC[N@H+](C)Cc1cc(OC)ncc1-c1ccccc1 ZINC001238603393 779349555 /nfs/dbraw/zinc/34/95/55/779349555.db2.gz KNRSUPCDMJCKTO-UHFFFAOYSA-N 1 1 266.344 2.822 20 30 CFEDMO C=CCN1CC[C@]2(CC[N@H+](Cc3ccc(C)cc3C)C2)C1=O ZINC001272637749 779360267 /nfs/dbraw/zinc/36/02/67/779360267.db2.gz CNSTXSYUXFYKHP-IBGZPJMESA-N 1 1 298.430 2.914 20 30 CFEDMO C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C)ccc1C ZINC001272640186 779366268 /nfs/dbraw/zinc/36/62/68/779366268.db2.gz SWZHCWJHBJUZQD-QZTJIDSGSA-N 1 1 296.414 2.502 20 30 CFEDMO C=C(C)CC[NH+]1CC(NC(=O)[C@@H](C)c2ccc(C)s2)C1 ZINC001031258451 779374816 /nfs/dbraw/zinc/37/48/16/779374816.db2.gz NLBGOMPJVZWUNJ-ZDUSSCGKSA-N 1 1 292.448 2.927 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)[C@H](C)c2ccc(C)s2)C1 ZINC001031258280 779375337 /nfs/dbraw/zinc/37/53/37/779375337.db2.gz LZKAPVKJPBOLDP-GFCCVEGCSA-N 1 1 278.421 2.537 20 30 CFEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C2CC2)CC(C)(C)C1 ZINC001089354083 779380673 /nfs/dbraw/zinc/38/06/73/779380673.db2.gz GODWUPUYMKYPOW-ZBFHGGJFSA-N 1 1 290.451 2.663 20 30 CFEDMO CCc1cc(C[N@@H+]2CCOC(C)(C)C2)ccc1C#N ZINC001238767664 779385272 /nfs/dbraw/zinc/38/52/72/779385272.db2.gz XOVUFSXLZKGWHH-UHFFFAOYSA-N 1 1 258.365 2.731 20 30 CFEDMO CCc1cc(C[N@H+]2CCOC(C)(C)C2)ccc1C#N ZINC001238767664 779385274 /nfs/dbraw/zinc/38/52/74/779385274.db2.gz XOVUFSXLZKGWHH-UHFFFAOYSA-N 1 1 258.365 2.731 20 30 CFEDMO CCc1cc(C[N@@H+](C)[C@H]2CCCN(C(C)=O)C2)ccc1C#N ZINC001238769357 779387092 /nfs/dbraw/zinc/38/70/92/779387092.db2.gz RMBFAPAUKOOYMX-SFHVURJKSA-N 1 1 299.418 2.563 20 30 CFEDMO CCc1cc(CN2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)ccc1C#N ZINC001238768622 779387293 /nfs/dbraw/zinc/38/72/93/779387293.db2.gz LSCLKLCYNUIBCH-QZTJIDSGSA-N 1 1 283.419 2.647 20 30 CFEDMO CCc1cc(C[N@@H+]2C[C@H]3CCCN(C)[C@@H]3C2)ccc1C#N ZINC001238768622 779387296 /nfs/dbraw/zinc/38/72/96/779387296.db2.gz LSCLKLCYNUIBCH-QZTJIDSGSA-N 1 1 283.419 2.647 20 30 CFEDMO CCc1cc(C[N@H+]2C[C@H]3CCCN(C)[C@@H]3C2)ccc1C#N ZINC001238768622 779387299 /nfs/dbraw/zinc/38/72/99/779387299.db2.gz LSCLKLCYNUIBCH-QZTJIDSGSA-N 1 1 283.419 2.647 20 30 CFEDMO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(Cl)s2)C1 ZINC001046821033 779387606 /nfs/dbraw/zinc/38/76/06/779387606.db2.gz PWNHOQYYPVZQJP-AWEZNQCLSA-N 1 1 296.823 2.619 20 30 CFEDMO CC#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc(Cl)s2)C1 ZINC001046821033 779387611 /nfs/dbraw/zinc/38/76/11/779387611.db2.gz PWNHOQYYPVZQJP-AWEZNQCLSA-N 1 1 296.823 2.619 20 30 CFEDMO CCc1cc(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)ccc1C#N ZINC001238772774 779388704 /nfs/dbraw/zinc/38/87/04/779388704.db2.gz QHQMPQFAAKNAFJ-IAGOWNOFSA-N 1 1 282.387 2.922 20 30 CFEDMO CCc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccc1C#N ZINC001238771976 779388851 /nfs/dbraw/zinc/38/88/51/779388851.db2.gz LPZWNMHQPRWEIQ-QWHCGFSZSA-N 1 1 258.365 2.730 20 30 CFEDMO CCc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)ccc1C#N ZINC001238771976 779388856 /nfs/dbraw/zinc/38/88/56/779388856.db2.gz LPZWNMHQPRWEIQ-QWHCGFSZSA-N 1 1 258.365 2.730 20 30 CFEDMO CCc1cc(C[N@H+]2CCC[C@@H](CCO)C2)ccc1C#N ZINC001238777400 779389469 /nfs/dbraw/zinc/38/94/69/779389469.db2.gz DVVAWJRPNMRIQF-AWEZNQCLSA-N 1 1 272.392 2.715 20 30 CFEDMO CCc1cc(C[N@H+]2CCC[C@H](n3cncn3)C2)ccc1C#N ZINC001238779599 779390591 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C=CCC[NH+]1CC(NC(=O)C[C@@H]2CCCC[C@H]2C)C1 ZINC001031471608 779465984 /nfs/dbraw/zinc/46/59/84/779465984.db2.gz MUNZNOQTOYCSSQ-KGLIPLIRSA-N 1 1 264.413 2.579 20 30 CFEDMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cccc(C#N)c2F)C1 ZINC000444795772 779466730 /nfs/dbraw/zinc/46/67/30/779466730.db2.gz ARFLQJURRLOVGM-HNNXBMFYSA-N 1 1 298.365 2.810 20 30 CFEDMO C=CCC[NH+]1CC(NC(=O)c2ccc(CC)c(CC)c2)C1 ZINC001031507445 779472188 /nfs/dbraw/zinc/47/21/88/779472188.db2.gz USVUWQHTAFSKDL-UHFFFAOYSA-N 1 1 286.419 2.802 20 30 CFEDMO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)CC(C)(C)C1 ZINC001089463822 779488680 /nfs/dbraw/zinc/48/86/80/779488680.db2.gz ASXHJOKHIUNHQD-QLFBSQMISA-N 1 1 278.440 2.825 20 30 CFEDMO C#CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)CC(C)(C)C1 ZINC001089468634 779490723 /nfs/dbraw/zinc/49/07/23/779490723.db2.gz ZKNDPSVYNIYGPV-YJBOKZPZSA-N 1 1 288.435 2.583 20 30 CFEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)C2(C)CC(=C)C2)CC(C)(C)C1 ZINC001089486414 779494768 /nfs/dbraw/zinc/49/47/68/779494768.db2.gz 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Cn1ncc2c1CCC[C@@H]2[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000595390933 349615006 /nfs/dbraw/zinc/61/50/06/349615006.db2.gz ZVLJVXOUDJSKSS-KRWDZBQOSA-N 1 1 294.402 2.844 20 30 CFEDMO C[C@H](CC#N)[NH2+]CCOc1cccc(Br)c1 ZINC000068613275 346862109 /nfs/dbraw/zinc/86/21/09/346862109.db2.gz OPOJKPVPKBDMAK-SNVBAGLBSA-N 1 1 283.169 2.720 20 30 CFEDMO N#Cc1ccc(CC[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000595429740 349623180 /nfs/dbraw/zinc/62/31/80/349623180.db2.gz JLLBLMWBDYAPCZ-CQSZACIVSA-N 1 1 280.318 2.804 20 30 CFEDMO C=C(Br)C[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000273115578 192047108 /nfs/dbraw/zinc/04/71/08/192047108.db2.gz OTBKMGHRECKAJO-NSHDSACASA-N 1 1 290.588 2.872 20 30 CFEDMO CCC(CC)C[N@@H+](CC)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345770391 282161903 /nfs/dbraw/zinc/16/19/03/282161903.db2.gz LOOOVIZPPWKZBD-CYBMUJFWSA-N 1 1 279.428 2.695 20 30 CFEDMO CC(C)[C@H]1CN([C@@H](C#N)c2ccccc2)CC[N@H+]1C ZINC000595461804 349635052 /nfs/dbraw/zinc/63/50/52/349635052.db2.gz NXIOLTPSCOUSIB-JKSUJKDBSA-N 1 1 257.381 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N#Cc1ccc(CC[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000595564294 349661909 /nfs/dbraw/zinc/66/19/09/349661909.db2.gz XDSFOAIYHLMZQS-MSOLQXFVSA-N 1 1 284.403 2.992 20 30 CFEDMO C[N@@H+](Cc1ccccc1C#N)[C@@H](CO)Cc1ccccc1 ZINC000595593724 349668031 /nfs/dbraw/zinc/66/80/31/349668031.db2.gz YSSLFFXEPASNKT-GOSISDBHSA-N 1 1 280.371 2.594 20 30 CFEDMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595609743 349674496 /nfs/dbraw/zinc/67/44/96/349674496.db2.gz ONCFSRYRVFXLRC-HUUCEWRRSA-N 1 1 297.402 2.590 20 30 CFEDMO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+]1CCC[C@H](CC#N)C1 ZINC000595609743 349674498 /nfs/dbraw/zinc/67/44/98/349674498.db2.gz ONCFSRYRVFXLRC-HUUCEWRRSA-N 1 1 297.402 2.590 20 30 CFEDMO N#CC[C@H]1CCC[N@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000595611023 349674735 /nfs/dbraw/zinc/67/47/35/349674735.db2.gz FYVLCMAIXWCDDC-CQSZACIVSA-N 1 1 278.359 2.937 20 30 CFEDMO N#CC[C@H]1CCC[N@@H+](Cc2cn3ccccc3c2C#N)C1 ZINC000595611023 349674738 /nfs/dbraw/zinc/67/47/38/349674738.db2.gz 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CC(C)c1[nH+]ccn1CC(=O)N1CCCC(C)(C)[C@@H]1C#N ZINC000602138463 350845986 /nfs/dbraw/zinc/84/59/86/350845986.db2.gz ATKDOGHUFTVBHQ-ZDUSSCGKSA-N 1 1 288.395 2.547 20 30 CFEDMO CNc1ccc(C#N)cc1NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602142105 350846088 /nfs/dbraw/zinc/84/60/88/350846088.db2.gz KXISFEGCBQXVCW-MRXNPFEDSA-N 1 1 298.390 2.555 20 30 CFEDMO CNc1ccc(C#N)cc1NC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000602142105 350846092 /nfs/dbraw/zinc/84/60/92/350846092.db2.gz KXISFEGCBQXVCW-MRXNPFEDSA-N 1 1 298.390 2.555 20 30 CFEDMO Cc1cc(C#N)cc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000602158672 350847291 /nfs/dbraw/zinc/84/72/91/350847291.db2.gz PANLPPCBGZIZSS-INIZCTEOSA-N 1 1 283.375 2.822 20 30 CFEDMO C[C@H](CCC#N)C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000602481860 350901000 /nfs/dbraw/zinc/90/10/00/350901000.db2.gz BHZCFLXJFFGLHA-INMHGKMJSA-N 1 1 275.440 2.875 20 30 CFEDMO C[C@H](CCC#N)C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000602481860 350901003 /nfs/dbraw/zinc/90/10/03/350901003.db2.gz 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289.379 2.611 20 30 CFEDMO CC(C)C(=O)N[C@H]1CCC[N@@H+](CCCC(C)(C)C#N)C1 ZINC000330992278 378610702 /nfs/dbraw/zinc/61/07/02/378610702.db2.gz KVUAPKXMFMOQRU-AWEZNQCLSA-N 1 1 279.428 2.553 20 30 CFEDMO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCN1CCC(C)(C)C#N ZINC000157647762 378657481 /nfs/dbraw/zinc/65/74/81/378657481.db2.gz JOZVYDIHVMJVGP-OAHLLOKOSA-N 1 1 290.455 2.872 20 30 CFEDMO C[C@@H]1CN(CCC(C)(C)C#N)CC[N@@H+]1CCC(C)(C)C#N ZINC000157647762 378657489 /nfs/dbraw/zinc/65/74/89/378657489.db2.gz JOZVYDIHVMJVGP-OAHLLOKOSA-N 1 1 290.455 2.872 20 30 CFEDMO C[C@@H]1CN(CCC(C)(C)C#N)CC[N@H+]1CCC(C)(C)C#N ZINC000157647762 378657499 /nfs/dbraw/zinc/65/74/99/378657499.db2.gz JOZVYDIHVMJVGP-OAHLLOKOSA-N 1 1 290.455 2.872 20 30 CFEDMO COc1ccc(C[N@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1C#N ZINC000331286017 378663675 /nfs/dbraw/zinc/66/36/75/378663675.db2.gz MAHVLJFGWKVORY-ZENOOKHLSA-N 1 1 288.391 2.548 20 30 CFEDMO CC#CCC[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000158113563 378664101 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/nfs/dbraw/zinc/95/05/67/378950567.db2.gz ZFJTTWWTZJJSKI-UHFFFAOYSA-N 1 1 280.331 2.735 20 30 CFEDMO Cn1cc[nH+]c1[C@@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000334290550 379041934 /nfs/dbraw/zinc/04/19/34/379041934.db2.gz LCQXSRVGGDXTFS-LLVKDONJSA-N 1 1 286.766 2.939 20 30 CFEDMO N#Cc1csc(C[NH2+][C@@H]2CCc3c2cccc3F)n1 ZINC000335308035 379054867 /nfs/dbraw/zinc/05/48/67/379054867.db2.gz ZVZQUAOHAUTFSV-CYBMUJFWSA-N 1 1 273.336 2.931 20 30 CFEDMO Cc1ncc(C[NH2+]CC(C)(C)C#N)n1-c1ccccc1 ZINC000168920461 379100421 /nfs/dbraw/zinc/10/04/21/379100421.db2.gz KIZHASQAHAXJBV-UHFFFAOYSA-N 1 1 268.364 2.820 20 30 CFEDMO CN(C(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCCC#N)C1 ZINC000170652813 379136089 /nfs/dbraw/zinc/13/60/89/379136089.db2.gz FSKOJKUACSRQQB-CYBMUJFWSA-N 1 1 281.400 2.621 20 30 CFEDMO C=CC[C@@H]1[N@@H+](Cc2ncnn2CC)CCCC1(C)C ZINC000278819103 194168589 /nfs/dbraw/zinc/16/85/89/194168589.db2.gz IDLSJLASTUIWRV-ZDUSSCGKSA-N 1 1 262.401 2.865 20 30 CFEDMO Cc1cc(C[N@@H+]2CCO[C@@]3(CCSC3)C2)ccc1C#N ZINC000335408093 379237315 /nfs/dbraw/zinc/23/73/15/379237315.db2.gz MKBASYILQLFWFF-INIZCTEOSA-N 1 1 288.416 2.575 20 30 CFEDMO Cc1cc(C[N@H+]2CCO[C@@]3(CCSC3)C2)ccc1C#N ZINC000335408093 379237327 /nfs/dbraw/zinc/23/73/27/379237327.db2.gz MKBASYILQLFWFF-INIZCTEOSA-N 1 1 288.416 2.575 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000335409052 379239946 /nfs/dbraw/zinc/23/99/46/379239946.db2.gz IGBDTCKPSZEPTH-CZUORRHYSA-N 1 1 288.416 2.827 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000335409052 379239954 /nfs/dbraw/zinc/23/99/54/379239954.db2.gz IGBDTCKPSZEPTH-CZUORRHYSA-N 1 1 288.416 2.827 20 30 CFEDMO N#Cc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c(Cl)c1 ZINC000335422979 379269149 /nfs/dbraw/zinc/26/91/49/379269149.db2.gz KDGGHICUKJFTST-HIFRSBDPSA-N 1 1 276.767 2.822 20 30 CFEDMO Cn1nccc1C1=CC[N@H+](Cc2cccc(C#N)c2F)CC1 ZINC000334423369 379272331 /nfs/dbraw/zinc/27/23/31/379272331.db2.gz RXQJLLGXGQPEST-UHFFFAOYSA-N 1 1 296.349 2.720 20 30 CFEDMO Cn1nccc1C1=CC[N@@H+](Cc2cccc(C#N)c2F)CC1 ZINC000334423369 379272339 /nfs/dbraw/zinc/27/23/39/379272339.db2.gz RXQJLLGXGQPEST-UHFFFAOYSA-N 1 1 296.349 2.720 20 30 CFEDMO N#C[C@H]1C[N@H+](CC2CCCC2)C[C@@]12c1ccccc1NC2=O ZINC000334426856 379278908 /nfs/dbraw/zinc/27/89/08/379278908.db2.gz ZHRDKJVVTURLHN-KSSFIOAISA-N 1 1 295.386 2.522 20 30 CFEDMO C=CCCC(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000171435929 379307658 /nfs/dbraw/zinc/30/76/58/379307658.db2.gz AZKRXQLRLZECSC-UHFFFAOYSA-N 1 1 287.407 2.733 20 30 CFEDMO CC(C)[N@H+]1CCCN(Cc2ccc(F)cc2C#N)CC1 ZINC000334445391 379312425 /nfs/dbraw/zinc/31/24/25/379312425.db2.gz OGWQHPQNQHNBNZ-UHFFFAOYSA-N 1 1 275.371 2.613 20 30 CFEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@@H]3CCOC3)CC2)cc1 ZINC000334478053 379369511 /nfs/dbraw/zinc/36/95/11/379369511.db2.gz PZSLAZYQHXGVNG-HNNXBMFYSA-N 1 1 268.360 2.684 20 30 CFEDMO Cc1cccc2c1C[N@H+](Cc1ccc(C#N)cn1)CC2 ZINC000571891853 383736764 /nfs/dbraw/zinc/73/67/64/383736764.db2.gz GFOQKNBBWQWTDM-UHFFFAOYSA-N 1 1 263.344 2.820 20 30 CFEDMO Cc1cccc2c1C[N@@H+](Cc1ccc(C#N)cn1)CC2 ZINC000571891853 383736768 /nfs/dbraw/zinc/73/67/68/383736768.db2.gz GFOQKNBBWQWTDM-UHFFFAOYSA-N 1 1 263.344 2.820 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000334552091 379510960 /nfs/dbraw/zinc/51/09/60/379510960.db2.gz GPJPIPJUWIWJIF-LRDDRELGSA-N 1 1 256.349 2.730 20 30 CFEDMO C[C@@H](c1ccc(C#N)cc1)[N@H+]1CCO[C@H](C2CC2)C1 ZINC000334552091 379510969 /nfs/dbraw/zinc/51/09/69/379510969.db2.gz GPJPIPJUWIWJIF-LRDDRELGSA-N 1 1 256.349 2.730 20 30 CFEDMO N#Cc1ccc(N2CCC[C@@H]([N@H+]3CCC34CCC4)C2=O)cc1 ZINC000334571255 379550978 /nfs/dbraw/zinc/55/09/78/379550978.db2.gz HBYFVUDWLCGBHG-MRXNPFEDSA-N 1 1 295.386 2.682 20 30 CFEDMO CC1(C)C[N@H+](CCNc2cc(Cl)ccc2C#N)CCO1 ZINC000172409607 379560100 /nfs/dbraw/zinc/56/01/00/379560100.db2.gz YMDXTTIBALANGJ-UHFFFAOYSA-N 1 1 293.798 2.734 20 30 CFEDMO CC1(C)C[N@@H+](CCNc2cc(Cl)ccc2C#N)CCO1 ZINC000172409607 379560108 /nfs/dbraw/zinc/56/01/08/379560108.db2.gz YMDXTTIBALANGJ-UHFFFAOYSA-N 1 1 293.798 2.734 20 30 CFEDMO C[C@@H]1C[C@H](N(C)c2ncc(C#N)cc2Cl)CC[N@H+]1C ZINC000172765258 379642179 /nfs/dbraw/zinc/64/21/79/379642179.db2.gz HBWLRVXYQMQLQI-ZYHUDNBSSA-N 1 1 278.787 2.526 20 30 CFEDMO N#Cc1csc(C[N@@H+]2CCSC3(CCC3)CC2)n1 ZINC000335643050 379648778 /nfs/dbraw/zinc/64/87/78/379648778.db2.gz MGKFCGZWIGENAZ-UHFFFAOYSA-N 1 1 279.434 2.876 20 30 CFEDMO N#Cc1csc(C[N@H+]2CCSC3(CCC3)CC2)n1 ZINC000335643050 379648787 /nfs/dbraw/zinc/64/87/87/379648787.db2.gz MGKFCGZWIGENAZ-UHFFFAOYSA-N 1 1 279.434 2.876 20 30 CFEDMO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)CC[S@](=O)C1 ZINC000334643621 379694751 /nfs/dbraw/zinc/69/47/51/379694751.db2.gz BFJNHTQTDJBXQC-KUHUBIRLSA-N 1 1 282.453 2.551 20 30 CFEDMO C[C@@H]1C[N@@H+](CCC2(C#N)CCCCC2)CC[S@](=O)C1 ZINC000334643621 379694754 /nfs/dbraw/zinc/69/47/54/379694754.db2.gz BFJNHTQTDJBXQC-KUHUBIRLSA-N 1 1 282.453 2.551 20 30 CFEDMO Cc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1C#N ZINC000335674227 379700172 /nfs/dbraw/zinc/70/01/72/379700172.db2.gz XHIIGHPTOWMGOA-RHSMWYFYSA-N 1 1 271.408 2.639 20 30 CFEDMO Cc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1C#N ZINC000335674227 379700178 /nfs/dbraw/zinc/70/01/78/379700178.db2.gz XHIIGHPTOWMGOA-RHSMWYFYSA-N 1 1 271.408 2.639 20 30 CFEDMO Cc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1C#N ZINC000335674227 379700183 /nfs/dbraw/zinc/70/01/83/379700183.db2.gz XHIIGHPTOWMGOA-RHSMWYFYSA-N 1 1 271.408 2.639 20 30 CFEDMO Cc1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1C#N ZINC000335674227 379700189 /nfs/dbraw/zinc/70/01/89/379700189.db2.gz XHIIGHPTOWMGOA-RHSMWYFYSA-N 1 1 271.408 2.639 20 30 CFEDMO CC(C)OC(=O)CC[N@@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000173582298 379754199 /nfs/dbraw/zinc/75/41/99/379754199.db2.gz WWPHPVNDNVFIBA-UHFFFAOYSA-N 1 1 286.375 2.864 20 30 CFEDMO Cc1oc(NC(=O)C[N@@H+]2CC[C@@H]3CCC[C@H]32)c(C#N)c1C ZINC000335695834 379737445 /nfs/dbraw/zinc/73/74/45/379737445.db2.gz QVWBKHHLYWMRPR-GXTWGEPZSA-N 1 1 287.363 2.581 20 30 CFEDMO Cc1oc(NC(=O)C[N@H+]2CC[C@@H]3CCC[C@H]32)c(C#N)c1C ZINC000335695834 379737449 /nfs/dbraw/zinc/73/74/49/379737449.db2.gz QVWBKHHLYWMRPR-GXTWGEPZSA-N 1 1 287.363 2.581 20 30 CFEDMO COCC[N@H+](Cc1ccc(C#N)cc1)CC1CCC1 ZINC000173584619 379756436 /nfs/dbraw/zinc/75/64/36/379756436.db2.gz PWNGTLAEXDUNOJ-UHFFFAOYSA-N 1 1 258.365 2.807 20 30 CFEDMO Cc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)ccc1C#N ZINC000335710295 379763302 /nfs/dbraw/zinc/76/33/02/379763302.db2.gz ZJJGIUAFGLVMBG-AYHJJNSGSA-N 1 1 283.419 2.972 20 30 CFEDMO Cc1cc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1C#N ZINC000335710295 379763310 /nfs/dbraw/zinc/76/33/10/379763310.db2.gz ZJJGIUAFGLVMBG-AYHJJNSGSA-N 1 1 283.419 2.972 20 30 CFEDMO Cc1cc(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1C#N ZINC000335710295 379763314 /nfs/dbraw/zinc/76/33/14/379763314.db2.gz ZJJGIUAFGLVMBG-AYHJJNSGSA-N 1 1 283.419 2.972 20 30 CFEDMO COc1cccc([C@@H](CNCc2ccc(C#N)o2)[NH+](C)C)c1 ZINC000174237955 379848535 /nfs/dbraw/zinc/84/85/35/379848535.db2.gz BTYQQVLQXOYBPA-QGZVFWFLSA-N 1 1 299.374 2.552 20 30 CFEDMO N#Cc1ccc(C2=CC[N@@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000335748149 379826496 /nfs/dbraw/zinc/82/64/96/379826496.db2.gz QMDMAAANTXCJEG-QGZVFWFLSA-N 1 1 268.360 2.826 20 30 CFEDMO Cc1cc(C[N@@H+]2CCCC[C@H]2C(N)=O)ccc1C#N ZINC000335784750 379884071 /nfs/dbraw/zinc/88/40/71/379884071.db2.gz AOILMWIJJWEOMG-AWEZNQCLSA-N 1 1 257.337 2.756 20 30 CFEDMO Cc1cc(C[N@H+]2CCCC[C@H]2C(N)=O)ccc1C#N ZINC000335784750 379884082 /nfs/dbraw/zinc/88/40/82/379884082.db2.gz AOILMWIJJWEOMG-AWEZNQCLSA-N 1 1 257.337 2.756 20 30 CFEDMO COc1ccc(C[NH+]2CC(Cc3ccco3)C2)cc1C#N ZINC000529648728 383741614 /nfs/dbraw/zinc/74/16/14/383741614.db2.gz IWBDXTASDLTVSJ-UHFFFAOYSA-N 1 1 282.343 2.834 20 30 CFEDMO C=C(C)C(C)(C)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000335116601 379976869 /nfs/dbraw/zinc/97/68/69/379976869.db2.gz LOFXBQXCLNVOBO-UONOGXRCSA-N 1 1 264.413 2.531 20 30 CFEDMO N#Cc1ccc(C[NH+]2CC(Cc3ccco3)C2)s1 ZINC000529648720 383742009 /nfs/dbraw/zinc/74/20/09/383742009.db2.gz ILCNMQRVPCJGPU-UHFFFAOYSA-N 1 1 258.346 2.887 20 30 CFEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000175150230 380006707 /nfs/dbraw/zinc/00/67/07/380006707.db2.gz HYPZTPSANHCEOZ-LRDDRELGSA-N 1 1 276.355 2.511 20 30 CFEDMO CC1(C)C[N@H+](Cc2cc(C#N)ccc2F)[C@@H]2COC[C@@H]21 ZINC000335209031 380011622 /nfs/dbraw/zinc/01/16/22/380011622.db2.gz LUTKXHWCXBOHNR-DZGCQCFKSA-N 1 1 274.339 2.554 20 30 CFEDMO CC1(C)C[N@@H+](Cc2cc(C#N)ccc2F)[C@@H]2COC[C@@H]21 ZINC000335209031 380011625 /nfs/dbraw/zinc/01/16/25/380011625.db2.gz LUTKXHWCXBOHNR-DZGCQCFKSA-N 1 1 274.339 2.554 20 30 CFEDMO C=CC[NH+]1CCC(NCc2ccnn2-c2ccccc2)CC1 ZINC000279028679 194256160 /nfs/dbraw/zinc/25/61/60/194256160.db2.gz BFAQCTBQXZEOQM-UHFFFAOYSA-N 1 1 296.418 2.612 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(C)s1 ZINC000175250859 380028607 /nfs/dbraw/zinc/02/86/07/380028607.db2.gz DGSXTFVELBXQNE-QWHCGFSZSA-N 1 1 295.452 2.915 20 30 CFEDMO N#Cc1ccc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1F ZINC000335235060 380055616 /nfs/dbraw/zinc/05/56/16/380055616.db2.gz KLQAFRWZKTUUSS-HNNXBMFYSA-N 1 1 274.339 2.577 20 30 CFEDMO C=CC[C@@H](C)NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000175942960 380158335 /nfs/dbraw/zinc/15/83/35/380158335.db2.gz OVHDVODPFRKUQT-CYBMUJFWSA-N 1 1 293.386 2.521 20 30 CFEDMO CC1(C)[C@H](O)CC[N@H+]1CC#Cc1cccc(Cl)c1 ZINC000336030013 380256164 /nfs/dbraw/zinc/25/61/64/380256164.db2.gz PHMNOYXNHNJKAZ-CQSZACIVSA-N 1 1 263.768 2.537 20 30 CFEDMO N#Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000336352312 380329142 /nfs/dbraw/zinc/32/91/42/380329142.db2.gz LTRXXGNVWLZRRJ-IAGOWNOFSA-N 1 1 270.376 2.807 20 30 CFEDMO CC1(C[N@H+]2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CCC1 ZINC000336137235 380273646 /nfs/dbraw/zinc/27/36/46/380273646.db2.gz CDKRGOYGVPQJSC-UGSOOPFHSA-N 1 1 295.386 2.522 20 30 CFEDMO Cc1ccc(C[N@@H+](CCO)Cc2cccc(C#N)c2)cc1 ZINC000177694506 380369039 /nfs/dbraw/zinc/36/90/39/380369039.db2.gz OOVVJANNHBQLKB-UHFFFAOYSA-N 1 1 280.371 2.861 20 30 CFEDMO Cc1nc(C[NH2+]Cc2cc(C#N)cs2)sc1C ZINC000177708123 380370850 /nfs/dbraw/zinc/37/08/50/380370850.db2.gz ONWBHCMTFPHTOG-UHFFFAOYSA-N 1 1 263.391 2.983 20 30 CFEDMO CC(C)(C)[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000279069382 194271239 /nfs/dbraw/zinc/27/12/39/194271239.db2.gz AGGNOGXRQHYSMG-HNNXBMFYSA-N 1 1 258.365 2.805 20 30 CFEDMO CC(C)(C)[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)CCO1 ZINC000279069382 194271241 /nfs/dbraw/zinc/27/12/41/194271241.db2.gz AGGNOGXRQHYSMG-HNNXBMFYSA-N 1 1 258.365 2.805 20 30 CFEDMO CC(C)(O)C[N@@H+](CCCSCC#N)Cc1ccccc1 ZINC000180233098 380636279 /nfs/dbraw/zinc/63/62/79/380636279.db2.gz PEVJALXBJGFDBN-UHFFFAOYSA-N 1 1 292.448 2.906 20 30 CFEDMO Cc1ccnc(N2CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC000336658314 380586120 /nfs/dbraw/zinc/58/61/20/380586120.db2.gz AAHWTRFSFYGXDA-UHFFFAOYSA-N 1 1 292.386 2.584 20 30 CFEDMO C=C1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000264500386 383748624 /nfs/dbraw/zinc/74/86/24/383748624.db2.gz CMVJELCDFUJOHA-OAHLLOKOSA-N 1 1 284.403 2.612 20 30 CFEDMO C=CCCC[C@H](C)NC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000180916718 380711925 /nfs/dbraw/zinc/71/19/25/380711925.db2.gz LKJKEDXRDHPXGE-MELADBBJSA-N 1 1 279.428 2.656 20 30 CFEDMO CC(C)[N@H+](CCO)Cc1ccc(C#N)cc1Br ZINC000181004797 380724014 /nfs/dbraw/zinc/72/40/14/380724014.db2.gz FYOGIJJMUOBCKO-UHFFFAOYSA-N 1 1 297.196 2.523 20 30 CFEDMO CC(C)[N@@H+](CCO)Cc1ccc(C#N)cc1Br ZINC000181004797 380724019 /nfs/dbraw/zinc/72/40/19/380724019.db2.gz FYOGIJJMUOBCKO-UHFFFAOYSA-N 1 1 297.196 2.523 20 30 CFEDMO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000181113129 380742992 /nfs/dbraw/zinc/74/29/92/380742992.db2.gz RNVRTXXLYIAXNK-CQSZACIVSA-N 1 1 268.364 2.838 20 30 CFEDMO C[N@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCCC[C@@H]1O ZINC000181468357 380799403 /nfs/dbraw/zinc/79/94/03/380799403.db2.gz ARVDFZGJXDLXJX-BBRMVZONSA-N 1 1 276.355 2.680 20 30 CFEDMO C=CCC[C@H](CC)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000432789537 383750298 /nfs/dbraw/zinc/75/02/98/383750298.db2.gz SSSXVGQVSRJBLD-HNNXBMFYSA-N 1 1 266.429 2.969 20 30 CFEDMO C#CCC[N@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000287368303 380814838 /nfs/dbraw/zinc/81/48/38/380814838.db2.gz MGIDPVFZPRWGSC-JTQLQIEISA-N 1 1 287.285 2.725 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000287368303 380814844 /nfs/dbraw/zinc/81/48/44/380814844.db2.gz MGIDPVFZPRWGSC-JTQLQIEISA-N 1 1 287.285 2.725 20 30 CFEDMO C=CC[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C1CC1 ZINC000347008489 380874715 /nfs/dbraw/zinc/87/47/15/380874715.db2.gz DUBLNSXWFQEDTN-HNNXBMFYSA-N 1 1 265.784 2.894 20 30 CFEDMO N#Cc1ccccc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000341225433 380843297 /nfs/dbraw/zinc/84/32/97/380843297.db2.gz FBTOETKHHRKPLF-QGZVFWFLSA-N 1 1 266.344 2.772 20 30 CFEDMO C=CCC1(C(=O)NCC[N@@H+]2CCCC[C@H]2C)CCC1 ZINC000358490826 380878824 /nfs/dbraw/zinc/87/88/24/380878824.db2.gz ILCXDDCQGNLFAU-CQSZACIVSA-N 1 1 264.413 2.723 20 30 CFEDMO N#Cc1cccc(C2([NH2+]Cc3cn4ccccc4n3)CC2)c1 ZINC000341236171 380849577 /nfs/dbraw/zinc/84/95/77/380849577.db2.gz IMOBRTSTXRJPET-UHFFFAOYSA-N 1 1 288.354 2.985 20 30 CFEDMO CC[N@@H+](CCCCC(=O)OC(C)(C)C)C[C@@H](C)C#N ZINC000181649593 380854104 /nfs/dbraw/zinc/85/41/04/380854104.db2.gz IVQBTSRKIFTFLI-ZDUSSCGKSA-N 1 1 268.401 2.980 20 30 CFEDMO N#Cc1ccc(C[NH2+]CCc2ccc3cn[nH]c3c2)c(F)c1 ZINC000341241760 380855073 /nfs/dbraw/zinc/85/50/73/380855073.db2.gz ZGZXKHZUDKJKDJ-UHFFFAOYSA-N 1 1 294.333 2.906 20 30 CFEDMO CC[C@@H](C)[N@@H+](C)CCN[C@@H](C)c1cccc(C#N)c1 ZINC000181663213 380859565 /nfs/dbraw/zinc/85/95/65/380859565.db2.gz CVTVZLDQYYTJMN-KGLIPLIRSA-N 1 1 259.397 2.939 20 30 CFEDMO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000181663213 380859578 /nfs/dbraw/zinc/85/95/78/380859578.db2.gz CVTVZLDQYYTJMN-KGLIPLIRSA-N 1 1 259.397 2.939 20 30 CFEDMO C=C(CC)C[N@@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000358502528 380886124 /nfs/dbraw/zinc/88/61/24/380886124.db2.gz VMJTUMUZSJFUPU-UHFFFAOYSA-N 1 1 287.451 2.707 20 30 CFEDMO C=C(CC)C[N@@H+]1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000358510237 380891882 /nfs/dbraw/zinc/89/18/82/380891882.db2.gz PBQVHKOVMHLELR-GJZGRUSLSA-N 1 1 252.402 2.674 20 30 CFEDMO C#Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000295511890 380907134 /nfs/dbraw/zinc/90/71/34/380907134.db2.gz PYTZJQRNFASVCT-GOSISDBHSA-N 1 1 296.414 2.691 20 30 CFEDMO CC(C)[N@@H+](C)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358553421 380920435 /nfs/dbraw/zinc/92/04/35/380920435.db2.gz ILUMYOHYPDNJOB-LBPRGKRZSA-N 1 1 263.360 2.688 20 30 CFEDMO CC(C)N(C)CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358553421 380920443 /nfs/dbraw/zinc/92/04/43/380920443.db2.gz ILUMYOHYPDNJOB-LBPRGKRZSA-N 1 1 263.360 2.688 20 30 CFEDMO C=CCN(Cc1ccc(OC)cc1)C(=O)C[N@H+](C)CCC ZINC000358595996 380958369 /nfs/dbraw/zinc/95/83/69/380958369.db2.gz RQTPCYBZPJWQMK-UHFFFAOYSA-N 1 1 290.407 2.552 20 30 CFEDMO C=CCN(C)C(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000341371928 380973939 /nfs/dbraw/zinc/97/39/39/380973939.db2.gz WXGICGIESYGWDO-IEBWSBKVSA-N 1 1 298.430 2.933 20 30 CFEDMO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1ccc(C#N)cc1F ZINC000358570658 380937745 /nfs/dbraw/zinc/93/77/45/380937745.db2.gz NNVQNOWABPQRPF-WDEREUQCSA-N 1 1 272.327 2.843 20 30 CFEDMO COc1ncccc1C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358570030 380938298 /nfs/dbraw/zinc/93/82/98/380938298.db2.gz NGUIYMWQLUFLPI-LLVKDONJSA-N 1 1 285.322 2.952 20 30 CFEDMO CCCn1cc[nH+]c1CCCN(C)c1ccnc(C#N)c1 ZINC000287797559 380943752 /nfs/dbraw/zinc/94/37/52/380943752.db2.gz PBQFPZFQACWDAV-UHFFFAOYSA-N 1 1 283.379 2.629 20 30 CFEDMO C=CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)COC ZINC000411192846 381015326 /nfs/dbraw/zinc/01/53/26/381015326.db2.gz MVDCLXJYVNBCAC-LBPRGKRZSA-N 1 1 264.325 2.618 20 30 CFEDMO C=CC[N@H+](CCc1ccccc1)[C@H](C)C(=O)N(C)C(C)C ZINC000411202877 381016069 /nfs/dbraw/zinc/01/60/69/381016069.db2.gz VXSCYSKABBDZIC-MRXNPFEDSA-N 1 1 288.435 2.972 20 30 CFEDMO N#CC1(CC[N@@H+]2CCC[C@@H](CCC(N)=O)C2)CCCCC1 ZINC000411214323 381017513 /nfs/dbraw/zinc/01/75/13/381017513.db2.gz FHEXWPDOOWVCRF-HNNXBMFYSA-N 1 1 291.439 2.828 20 30 CFEDMO CCC(CC)C[N@@H+](CCC#N)CCC1(O)CCC1 ZINC000411300331 381021577 /nfs/dbraw/zinc/02/15/77/381021577.db2.gz BPKHXQNFLAMFBP-UHFFFAOYSA-N 1 1 252.402 2.943 20 30 CFEDMO COCCOCc1ccc(C[N@H+](C)CC(C)(C)C#N)cc1 ZINC000354017758 381023486 /nfs/dbraw/zinc/02/34/86/381023486.db2.gz MFHJJGLJJPHVNL-UHFFFAOYSA-N 1 1 290.407 2.831 20 30 CFEDMO COCCOCc1ccc(C[N@@H+](C)CC(C)(C)C#N)cc1 ZINC000354017758 381023491 /nfs/dbraw/zinc/02/34/91/381023491.db2.gz MFHJJGLJJPHVNL-UHFFFAOYSA-N 1 1 290.407 2.831 20 30 CFEDMO C[N@@H+](CCC1(C#N)CCCCC1)C1(C(N)=O)CCCC1 ZINC000411410914 381027333 /nfs/dbraw/zinc/02/73/33/381027333.db2.gz XEKUOMCJAAKNLG-UHFFFAOYSA-N 1 1 277.412 2.580 20 30 CFEDMO C=CC[N@@H+](CCc1ccco1)[C@H](C)C(=O)NCCC(C)C ZINC000411483917 381028389 /nfs/dbraw/zinc/02/83/89/381028389.db2.gz FONAKRFEIRYZLJ-OAHLLOKOSA-N 1 1 292.423 2.861 20 30 CFEDMO C=CC[N@H+](CCc1ccco1)[C@H](C)C(=O)NCCC(C)C ZINC000411483917 381028399 /nfs/dbraw/zinc/02/83/99/381028399.db2.gz FONAKRFEIRYZLJ-OAHLLOKOSA-N 1 1 292.423 2.861 20 30 CFEDMO Cc1c(Cl)cnc(N2CCC[N@H+](C3CC3)CC2)c1C#N ZINC000368349479 380998310 /nfs/dbraw/zinc/99/83/10/380998310.db2.gz SDCDJADGYAQRFS-UHFFFAOYSA-N 1 1 290.798 2.590 20 30 CFEDMO C=CCC[C@H](O)C[N@H+](CC)CCN1CCCCCC1 ZINC000347285262 381048220 /nfs/dbraw/zinc/04/82/20/381048220.db2.gz GZLNVHNXOPMWIQ-INIZCTEOSA-N 1 1 268.445 2.511 20 30 CFEDMO C=CCC[C@H](O)C[N@@H+](CC)CCN1CCCCCC1 ZINC000347285262 381048228 /nfs/dbraw/zinc/04/82/28/381048228.db2.gz GZLNVHNXOPMWIQ-INIZCTEOSA-N 1 1 268.445 2.511 20 30 CFEDMO C=CC(C)(C)C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000295749574 381053207 /nfs/dbraw/zinc/05/32/07/381053207.db2.gz GWOXVGZEASAJKC-UHFFFAOYSA-N 1 1 261.369 2.520 20 30 CFEDMO C=CC[C@@H](C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000358759064 381062943 /nfs/dbraw/zinc/06/29/43/381062943.db2.gz PWDUNPIGIJKSJF-HLLBOEOZSA-N 1 1 286.419 2.897 20 30 CFEDMO C[C@H](C#N)C[N@H+](Cc1ccc2c[nH]nc2c1)C1CC1 ZINC000354035515 381035785 /nfs/dbraw/zinc/03/57/85/381035785.db2.gz YSMFAQKMXYYVPO-LLVKDONJSA-N 1 1 254.337 2.687 20 30 CFEDMO C[C@H](C#N)C[N@@H+](Cc1ccc2c[nH]nc2c1)C1CC1 ZINC000354035515 381035789 /nfs/dbraw/zinc/03/57/89/381035789.db2.gz YSMFAQKMXYYVPO-LLVKDONJSA-N 1 1 254.337 2.687 20 30 CFEDMO COCCOc1cccc(C[N@H+](C)CC(C)(C)C#N)c1 ZINC000354039589 381038392 /nfs/dbraw/zinc/03/83/92/381038392.db2.gz NNWGSZYFRAMPKO-UHFFFAOYSA-N 1 1 276.380 2.693 20 30 CFEDMO COCCOc1cccc(C[N@@H+](C)CC(C)(C)C#N)c1 ZINC000354039589 381038395 /nfs/dbraw/zinc/03/83/95/381038395.db2.gz NNWGSZYFRAMPKO-UHFFFAOYSA-N 1 1 276.380 2.693 20 30 CFEDMO CCC[N@@H+](CC)C[C@@H](C)NCc1ccc(C#N)cc1 ZINC000289639390 381081520 /nfs/dbraw/zinc/08/15/20/381081520.db2.gz PXZOAYLCCGCSKK-CQSZACIVSA-N 1 1 259.397 2.768 20 30 CFEDMO CCCN(CC)C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000289639390 381081525 /nfs/dbraw/zinc/08/15/25/381081525.db2.gz PXZOAYLCCGCSKK-CQSZACIVSA-N 1 1 259.397 2.768 20 30 CFEDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(C#N)c1 ZINC000295804698 381086429 /nfs/dbraw/zinc/08/64/29/381086429.db2.gz AMBCELBORDFNFU-FCLXEUQJSA-N 1 1 269.392 2.834 20 30 CFEDMO C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(C#N)c1 ZINC000295804698 381086437 /nfs/dbraw/zinc/08/64/37/381086437.db2.gz AMBCELBORDFNFU-FCLXEUQJSA-N 1 1 269.392 2.834 20 30 CFEDMO C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1cccc(C#N)c1 ZINC000295804698 381086446 /nfs/dbraw/zinc/08/64/46/381086446.db2.gz AMBCELBORDFNFU-FCLXEUQJSA-N 1 1 269.392 2.834 20 30 CFEDMO Cn1cccc1C[N@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000368750731 381123151 /nfs/dbraw/zinc/12/31/51/381123151.db2.gz IZHDXCMXGSEQDJ-UHFFFAOYSA-N 1 1 294.402 2.609 20 30 CFEDMO CCC[N@@H+](CCCC#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000354204718 381139276 /nfs/dbraw/zinc/13/92/76/381139276.db2.gz GJTVPMZYYOMXJX-MCIONIFRSA-N 1 1 250.386 2.816 20 30 CFEDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000412071168 381141408 /nfs/dbraw/zinc/14/14/08/381141408.db2.gz OXIZJZUFAOWRDC-QGZVFWFLSA-N 1 1 286.375 2.642 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCCOC(C)C ZINC000354219228 381145681 /nfs/dbraw/zinc/14/56/81/381145681.db2.gz DENIEPYNZSZECN-HNNXBMFYSA-N 1 1 284.444 2.546 20 30 CFEDMO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1nnc2ccccn21 ZINC000182725213 381145999 /nfs/dbraw/zinc/14/59/99/381145999.db2.gz HEZUSPQJRDPIPT-NSHDSACASA-N 1 1 295.321 2.591 20 30 CFEDMO C#CC(C)(C)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000279354349 194397627 /nfs/dbraw/zinc/39/76/27/194397627.db2.gz VUOWTEXUEBSUAE-UHFFFAOYSA-N 1 1 264.756 2.622 20 30 CFEDMO C#CC(C)(C)[N@@H+](C)CC(=O)Nc1ccc(Cl)cc1 ZINC000279354349 194397628 /nfs/dbraw/zinc/39/76/28/194397628.db2.gz VUOWTEXUEBSUAE-UHFFFAOYSA-N 1 1 264.756 2.622 20 30 CFEDMO C=CC[C@@H]1N(C(=O)[C@H]2CCC[N@@H+]2C)CCCC1(C)C ZINC000347474302 381174828 /nfs/dbraw/zinc/17/48/28/381174828.db2.gz VRRGIMDTVZITIU-KGLIPLIRSA-N 1 1 264.413 2.674 20 30 CFEDMO CC[N@H+]1CC[C@H](N(C)c2ncc(C#N)cc2Cl)C[C@@H]1C ZINC000354351505 381218310 /nfs/dbraw/zinc/21/83/10/381218310.db2.gz CCVLGHALPHQMGC-AAEUAGOBSA-N 1 1 292.814 2.916 20 30 CFEDMO CCn1cc([C@@H](C)[NH2+]Cc2cccc(C#N)c2F)cn1 ZINC000358995323 381201716 /nfs/dbraw/zinc/20/17/16/381201716.db2.gz DEVWSXBOBZNYEB-LLVKDONJSA-N 1 1 272.327 2.765 20 30 CFEDMO N#CC1(CCC[N@@H+]2CCCCC[C@@H]2CCO)CCOCC1 ZINC000342063894 381208129 /nfs/dbraw/zinc/20/81/29/381208129.db2.gz PHWKWPXMTJRTCE-MRXNPFEDSA-N 1 1 294.439 2.714 20 30 CFEDMO N#CCc1ccc(C[N@@H+]2CCCCC[C@H]2CCO)cc1 ZINC000342058544 381208576 /nfs/dbraw/zinc/20/85/76/381208576.db2.gz KAQVBRRAJGFXJR-KRWDZBQOSA-N 1 1 272.392 2.880 20 30 CFEDMO Cc1cnn([C@H]2CC[N@@H+](Cc3cccc(C#N)c3)C2)c1 ZINC000289922525 381219008 /nfs/dbraw/zinc/21/90/08/381219008.db2.gz OQPJXNRIGLWAAE-INIZCTEOSA-N 1 1 266.348 2.510 20 30 CFEDMO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OCC#N)cc1 ZINC000296013487 381211643 /nfs/dbraw/zinc/21/16/43/381211643.db2.gz RHXDPRPNSFLJJZ-LNRIEFBSSA-N 1 1 299.418 2.865 20 30 CFEDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(OCC#N)cc1 ZINC000296013487 381211650 /nfs/dbraw/zinc/21/16/50/381211650.db2.gz RHXDPRPNSFLJJZ-LNRIEFBSSA-N 1 1 299.418 2.865 20 30 CFEDMO C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OCC#N)cc1 ZINC000296013487 381211656 /nfs/dbraw/zinc/21/16/56/381211656.db2.gz RHXDPRPNSFLJJZ-LNRIEFBSSA-N 1 1 299.418 2.865 20 30 CFEDMO C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2C)c1ccc(OCC#N)cc1 ZINC000296013487 381211663 /nfs/dbraw/zinc/21/16/63/381211663.db2.gz RHXDPRPNSFLJJZ-LNRIEFBSSA-N 1 1 299.418 2.865 20 30 CFEDMO CC[C@@H]1CCC[N@H+]1CCOc1ccc(C#N)cc1OC ZINC000354425832 381258834 /nfs/dbraw/zinc/25/88/34/381258834.db2.gz IMFXFYYAEQHOAB-CQSZACIVSA-N 1 1 274.364 2.820 20 30 CFEDMO C#Cc1ccc(C[N@@H+]2CCC[C@H](COCC)C2)cc1 ZINC000289965993 381239048 /nfs/dbraw/zinc/23/90/48/381239048.db2.gz IVYFCKWJGFDXIP-KRWDZBQOSA-N 1 1 257.377 2.916 20 30 CFEDMO CN(CCC[N@@H+](C)Cc1ccco1)Cc1ccc(C#N)o1 ZINC000289977293 381243680 /nfs/dbraw/zinc/24/36/80/381243680.db2.gz ZNHJWJSTSQWZNC-UHFFFAOYSA-N 1 1 287.363 2.698 20 30 CFEDMO Clc1cnn([C@@H]2CC[N@H+](CC#Cc3ccccc3)C2)c1 ZINC000290073346 381288515 /nfs/dbraw/zinc/28/85/15/381288515.db2.gz YJYLWLCPYLEDCI-MRXNPFEDSA-N 1 1 285.778 2.835 20 30 CFEDMO Clc1cnn([C@@H]2CC[N@@H+](CC#Cc3ccccc3)C2)c1 ZINC000290073346 381288521 /nfs/dbraw/zinc/28/85/21/381288521.db2.gz YJYLWLCPYLEDCI-MRXNPFEDSA-N 1 1 285.778 2.835 20 30 CFEDMO CC(C)[N@@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000290091932 381296135 /nfs/dbraw/zinc/29/61/35/381296135.db2.gz HLMXTPFEBMMQAB-KGLIPLIRSA-N 1 1 259.397 2.938 20 30 CFEDMO CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1 ZINC000290091932 381296138 /nfs/dbraw/zinc/29/61/38/381296138.db2.gz HLMXTPFEBMMQAB-KGLIPLIRSA-N 1 1 259.397 2.938 20 30 CFEDMO C=CC[N@H+](Cc1ccccc1)C[C@H]1CCNC(=O)CC1 ZINC000296205163 381301075 /nfs/dbraw/zinc/30/10/75/381301075.db2.gz CIXRNBOONFFIRS-MRXNPFEDSA-N 1 1 272.392 2.591 20 30 CFEDMO 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CFEDMO CCOCCCN1CC[C@@H]([NH2+]CC(C)(C)CC#N)[C@H](C)C1 ZINC000414166333 381565315 /nfs/dbraw/zinc/56/53/15/381565315.db2.gz NIMODUFEMVQVBQ-HZPDHXFCSA-N 1 1 295.471 2.653 20 30 CFEDMO C=CC(C)(C)CNc1ncnc2c1cnn2-c1cc[nH+]cc1 ZINC000414208518 381570514 /nfs/dbraw/zinc/57/05/14/381570514.db2.gz LTJGPUSSLBRGCH-UHFFFAOYSA-N 1 1 294.362 2.835 20 30 CFEDMO Cc1nc(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)c(Cl)cc1C#N ZINC000290926794 381599280 /nfs/dbraw/zinc/59/92/80/381599280.db2.gz INAZHODYNJGHPO-KGLIPLIRSA-N 1 1 290.798 2.954 20 30 CFEDMO C=CCC(CC=C)C(=O)N[C@H](C)C[N@H+](C)CCCC ZINC000290878776 381584405 /nfs/dbraw/zinc/58/44/05/381584405.db2.gz JLVWCQRQJIBIID-CQSZACIVSA-N 1 1 266.429 2.991 20 30 CFEDMO CC[N@H+](CCC1CC1)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000355051437 381585160 /nfs/dbraw/zinc/58/51/60/381585160.db2.gz BUBCXKLJBKGTST-INIZCTEOSA-N 1 1 286.375 2.894 20 30 CFEDMO CC[N@@H+](CCC1CC1)[C@H](C(=O)OC)c1cccc(C#N)c1 ZINC000355051437 381585163 /nfs/dbraw/zinc/58/51/63/381585163.db2.gz 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385611913 /nfs/dbraw/zinc/61/19/13/385611913.db2.gz LRIIYRXUMCVEIT-KGLIPLIRSA-N 1 1 274.412 2.832 20 30 CFEDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(F)ccc4C#N)[C@H]1[C@H]3C2 ZINC000286540647 385644215 /nfs/dbraw/zinc/64/42/15/385644215.db2.gz OECCDXIKPVEPMW-MUMJOVGASA-N 1 1 286.350 2.553 20 30 CFEDMO C#CCCC[N@@H+]1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000272915454 385652800 /nfs/dbraw/zinc/65/28/00/385652800.db2.gz IFHOEOBXCJIPKW-GFCCVEGCSA-N 1 1 285.313 2.952 20 30 CFEDMO C[C@@H](Nc1cccc(F)c1C#N)C1=CC[N@@H+](C)CC1 ZINC000272947630 385664003 /nfs/dbraw/zinc/66/40/03/385664003.db2.gz MMCHHBGHZYBJGL-LLVKDONJSA-N 1 1 259.328 2.760 20 30 CFEDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(C#N)ccc4F)[C@H]1[C@H]3C2 ZINC000286772181 385706495 /nfs/dbraw/zinc/70/64/95/385706495.db2.gz ZXIOWTZFVWAQPI-UOYADTOYSA-N 1 1 286.350 2.553 20 30 CFEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cc(C#N)ccn1 ZINC000286807938 385713884 /nfs/dbraw/zinc/71/38/84/385713884.db2.gz KYANFMUIUQJXGX-PBHICJAKSA-N 1 1 292.386 2.886 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CCC[N@H+]1Cc2cccc(NC(=O)CSCC#N)c2C1 ZINC000066514423 260246623 /nfs/dbraw/zinc/24/66/23/260246623.db2.gz RSSGLHUVQBDVBP-UHFFFAOYSA-N 1 1 289.404 2.607 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000076800054 260294487 /nfs/dbraw/zinc/29/44/87/260294487.db2.gz JSBPCBZARJNVPM-ZDUSSCGKSA-N 1 1 291.370 2.581 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000076800054 260294488 /nfs/dbraw/zinc/29/44/88/260294488.db2.gz JSBPCBZARJNVPM-ZDUSSCGKSA-N 1 1 291.370 2.581 20 30 CFEDMO CCN(CCC#N)C(=O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000079942361 260309599 /nfs/dbraw/zinc/30/95/99/260309599.db2.gz WSUVXZWBAZGWSA-MRXNPFEDSA-N 1 1 285.391 2.586 20 30 CFEDMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC(C)(C#N)CC1 ZINC000408157377 260312723 /nfs/dbraw/zinc/31/27/23/260312723.db2.gz BZMFAXVVFKJZTQ-ILXRZTDVSA-N 1 1 291.439 2.695 20 30 CFEDMO N#CCC[N@H+](CCC(=O)Nc1ccc(F)cc1)CC1CC1 ZINC000081514905 260334245 /nfs/dbraw/zinc/33/42/45/260334245.db2.gz VLXCOQOCFKNPIG-UHFFFAOYSA-N 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/nfs/dbraw/zinc/06/58/15/261065815.db2.gz JDDJIOVOEWDXCJ-CQSZACIVSA-N 1 1 266.429 2.969 20 30 CFEDMO C=C(C)CN(CC)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448257087 261067457 /nfs/dbraw/zinc/06/74/57/261067457.db2.gz SEWWEYKPTKLYJI-CQSZACIVSA-N 1 1 281.444 2.714 20 30 CFEDMO C=CCCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000448389014 261138988 /nfs/dbraw/zinc/13/89/88/261138988.db2.gz NSZLQWOSBIJIEG-UHFFFAOYSA-N 1 1 279.428 2.613 20 30 CFEDMO O[C@@H]([C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1)C(F)(F)F ZINC000444735983 261145589 /nfs/dbraw/zinc/14/55/89/261145589.db2.gz VDQNNJVLSQJTLC-CABCVRRESA-N 1 1 297.320 2.673 20 30 CFEDMO O[C@@H]([C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1)C(F)(F)F ZINC000444735983 261145591 /nfs/dbraw/zinc/14/55/91/261145591.db2.gz VDQNNJVLSQJTLC-CABCVRRESA-N 1 1 297.320 2.673 20 30 CFEDMO C=CCOCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000361382416 261231068 /nfs/dbraw/zinc/23/10/68/261231068.db2.gz VMNFSABJYCMASI-BBWFWOEESA-N 1 1 281.440 2.985 20 30 CFEDMO C=CCCC(=O)N1CCC(C[N@H+](C)CCCC)CC1 ZINC000102489642 261244547 /nfs/dbraw/zinc/24/45/47/261244547.db2.gz JJBXTQRUBLYUDJ-UHFFFAOYSA-N 1 1 266.429 2.923 20 30 CFEDMO C=CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361507152 261304828 /nfs/dbraw/zinc/30/48/28/261304828.db2.gz CPKCAGRTYNFPTC-KBPBESRZSA-N 1 1 264.413 2.722 20 30 CFEDMO C=C(Cl)C[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000363798532 261307344 /nfs/dbraw/zinc/30/73/44/261307344.db2.gz JFRNHKIQDPVHDP-UHFFFAOYSA-N 1 1 251.761 2.717 20 30 CFEDMO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000177215342 261339716 /nfs/dbraw/zinc/33/97/16/261339716.db2.gz XLFSKPYFHLDMGB-CYBMUJFWSA-N 1 1 252.402 2.531 20 30 CFEDMO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CCSC(C)(C)C1 ZINC000177520901 261359213 /nfs/dbraw/zinc/35/92/13/261359213.db2.gz UEXRTYRJZSUGAE-CYBMUJFWSA-N 1 1 284.469 2.627 20 30 CFEDMO C=CC[N@H+](CCCOc1ccc(F)cc1)CCOC ZINC000107677658 261897441 /nfs/dbraw/zinc/89/74/41/261897441.db2.gz FDIFLNPQHWUVNA-UHFFFAOYSA-N 1 1 267.344 2.729 20 30 CFEDMO CC#CCC[N@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000363940530 262045898 /nfs/dbraw/zinc/04/58/98/262045898.db2.gz SBTXJSKOJTYDKX-MRXNPFEDSA-N 1 1 276.424 2.514 20 30 CFEDMO CCCNC(=O)OC[C@@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000497259924 262126392 /nfs/dbraw/zinc/12/63/92/262126392.db2.gz ANPSWUVSLBZMIL-AWEZNQCLSA-N 1 1 293.411 2.671 20 30 CFEDMO CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CC1(C#N)CCC1 ZINC000497259924 262126395 /nfs/dbraw/zinc/12/63/95/262126395.db2.gz ANPSWUVSLBZMIL-AWEZNQCLSA-N 1 1 293.411 2.671 20 30 CFEDMO C=C[C@H](CC(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1)c1ccccc1 ZINC000368597406 262137767 /nfs/dbraw/zinc/13/77/67/262137767.db2.gz XIEVRNWKHYSNDF-KBAYOESNSA-N 1 1 298.430 2.899 20 30 CFEDMO CC#CCC[N@@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC000497304689 262139858 /nfs/dbraw/zinc/13/98/58/262139858.db2.gz MXJAAQXAISQCHD-CABCVRRESA-N 1 1 292.423 2.589 20 30 CFEDMO CCCn1ccnc1CCC[N@@H+](C)C[C@H](C#N)CCC#N ZINC000191513584 262192604 /nfs/dbraw/zinc/19/26/04/262192604.db2.gz XLABVNQEXBUQMQ-HNNXBMFYSA-N 1 1 287.411 2.601 20 30 CFEDMO C#CC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000364351735 262213628 /nfs/dbraw/zinc/21/36/28/262213628.db2.gz HNJRLMFAUJYAPH-XYJFISCASA-N 1 1 270.420 2.898 20 30 CFEDMO N#CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000364393068 262226899 /nfs/dbraw/zinc/22/68/99/262226899.db2.gz IVJMDNOYAMRIAB-IRXDYDNUSA-N 1 1 297.402 2.556 20 30 CFEDMO C[C@H]1[C@@H](N2CCCC2)CC[N@H+]1CC(C)(C)CCC#N ZINC000367688428 262250870 /nfs/dbraw/zinc/25/08/70/262250870.db2.gz RWAHQHZGLULDGK-GJZGRUSLSA-N 1 1 263.429 2.875 20 30 CFEDMO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(C)(C)CCC#N ZINC000367688428 262250871 /nfs/dbraw/zinc/25/08/71/262250871.db2.gz RWAHQHZGLULDGK-GJZGRUSLSA-N 1 1 263.429 2.875 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000302044732 262253925 /nfs/dbraw/zinc/25/39/25/262253925.db2.gz YANRVUPYXYDWQF-ZDUSSCGKSA-N 1 1 252.402 2.799 20 30 CFEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](c2ccsc2)C[C@@H]1C ZINC000364633549 262256022 /nfs/dbraw/zinc/25/60/22/262256022.db2.gz RDPPBZZBLXVEHH-SGMGOOAPSA-N 1 1 278.421 2.617 20 30 CFEDMO C=C(C)C[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccsc1 ZINC000364942120 262265309 /nfs/dbraw/zinc/26/53/09/262265309.db2.gz HZGLEOMCHLLBAV-CQSZACIVSA-N 1 1 278.421 2.920 20 30 CFEDMO C=CCOCCC[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000495516329 262278240 /nfs/dbraw/zinc/27/82/40/262278240.db2.gz ZBGUMQQLEIUBBA-AWEZNQCLSA-N 1 1 298.427 2.520 20 30 CFEDMO C#CCC[N@@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000365172687 262282135 /nfs/dbraw/zinc/28/21/35/262282135.db2.gz VTXKJZIPMVMKTR-AWEZNQCLSA-N 1 1 289.379 2.514 20 30 CFEDMO C#CCC[N@H+]1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000365172687 262282136 /nfs/dbraw/zinc/28/21/36/262282136.db2.gz VTXKJZIPMVMKTR-AWEZNQCLSA-N 1 1 289.379 2.514 20 30 CFEDMO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000188465463 262298754 /nfs/dbraw/zinc/29/87/54/262298754.db2.gz ZAFUWUYDBUSLRB-NVXWUHKLSA-N 1 1 278.440 2.969 20 30 CFEDMO CCc1nc([C@H]2CCC[N@H+](CC#Cc3ccccc3)C2)no1 ZINC000365267866 262357161 /nfs/dbraw/zinc/35/71/61/262357161.db2.gz OLYXFRUMFYVSSL-INIZCTEOSA-N 1 1 295.386 2.863 20 30 CFEDMO CCc1nc([C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)no1 ZINC000365267866 262357163 /nfs/dbraw/zinc/35/71/63/262357163.db2.gz OLYXFRUMFYVSSL-INIZCTEOSA-N 1 1 295.386 2.863 20 30 CFEDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC#Cc1ccccc1 ZINC000365270366 262357187 /nfs/dbraw/zinc/35/71/87/262357187.db2.gz VXMQEIHWRHACSW-GOSISDBHSA-N 1 1 279.387 2.917 20 30 CFEDMO CC(C)(C#N)CCCC[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000365598234 262372576 /nfs/dbraw/zinc/37/25/76/262372576.db2.gz KUEKTALVTABBTP-INIZCTEOSA-N 1 1 299.418 2.619 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000365598234 262372578 /nfs/dbraw/zinc/37/25/78/262372578.db2.gz KUEKTALVTABBTP-INIZCTEOSA-N 1 1 299.418 2.619 20 30 CFEDMO CC(C)(C#N)CCCC[N@H+]1CCSC[C@H]1CCO ZINC000336784685 262395016 /nfs/dbraw/zinc/39/50/16/262395016.db2.gz VEQCBLBIUPXONI-CYBMUJFWSA-N 1 1 270.442 2.506 20 30 CFEDMO N#CCSCCC[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000336798501 262396936 /nfs/dbraw/zinc/39/69/36/262396936.db2.gz FCJQRZLPJDEZSB-UHFFFAOYSA-N 1 1 282.359 2.970 20 30 CFEDMO N#CCSCCC[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000336798501 262396938 /nfs/dbraw/zinc/39/69/38/262396938.db2.gz FCJQRZLPJDEZSB-UHFFFAOYSA-N 1 1 282.359 2.970 20 30 CFEDMO CN1CC[N@@H+](CCC(C)(C)C#N)Cc2ccccc21 ZINC000336797925 262397140 /nfs/dbraw/zinc/39/71/40/262397140.db2.gz CANDBEOZUGIXQO-UHFFFAOYSA-N 1 1 257.381 2.878 20 30 CFEDMO CC(C)[C@H](O)C[N@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336832978 262398912 /nfs/dbraw/zinc/39/89/12/262398912.db2.gz XFKNHLLZIPFRSN-IXDOHACOSA-N 1 1 272.392 2.775 20 30 CFEDMO CCOC[C@H]1CCC[N@@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337190779 262430226 /nfs/dbraw/zinc/43/02/26/262430226.db2.gz SAIIBABYLPYJBC-INIZCTEOSA-N 1 1 294.439 2.835 20 30 CFEDMO CCC[C@H](C)[N@H+]1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000337316241 262445300 /nfs/dbraw/zinc/44/53/00/262445300.db2.gz KKIBMRMWKJIAOS-GDZNZVCISA-N 1 1 283.375 2.520 20 30 CFEDMO C[C@H]([NH2+]CC1(C#N)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000450675146 262666512 /nfs/dbraw/zinc/66/65/12/262666512.db2.gz OHIPSDRLQNARJH-NSHDSACASA-N 1 1 259.309 2.939 20 30 CFEDMO CC(C)(C)C[N@H+](CCC#N)C[C@H](O)c1ccccc1 ZINC000264707221 262892603 /nfs/dbraw/zinc/89/26/03/262892603.db2.gz JWRBBUUBPDSNBB-HNNXBMFYSA-N 1 1 260.381 2.982 20 30 CFEDMO CC(C)(C)C[N@@H+](CCC#N)C[C@H](O)c1ccccc1 ZINC000264707221 262892604 /nfs/dbraw/zinc/89/26/04/262892604.db2.gz JWRBBUUBPDSNBB-HNNXBMFYSA-N 1 1 260.381 2.982 20 30 CFEDMO C[C@@H](NC(C)(C)CNC(=[NH2+])NC(C)(C)C)c1ccccc1 ZINC000267452716 262931730 /nfs/dbraw/zinc/93/17/30/262931730.db2.gz RYMKNYUHQUOYAE-CYBMUJFWSA-N 1 1 290.455 2.819 20 30 CFEDMO N#CCCCC[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000268701517 262956357 /nfs/dbraw/zinc/95/63/57/262956357.db2.gz RJFJXXJEVRDILI-DLBZAZTESA-N 1 1 288.391 2.505 20 30 CFEDMO CC1(C#N)CC[NH+](C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000272486962 263005349 /nfs/dbraw/zinc/00/53/49/263005349.db2.gz BSCYZDIMTSLDKV-AWEZNQCLSA-N 1 1 280.318 2.624 20 30 CFEDMO C[C@H](C(=O)N1CCc2ccccc21)[NH+]1CCC(C)(C#N)CC1 ZINC000272569009 263006850 /nfs/dbraw/zinc/00/68/50/263006850.db2.gz MSYVCOXGTFZFBA-CQSZACIVSA-N 1 1 297.402 2.590 20 30 CFEDMO Cc1c([C@H](C)[NH2+]CCCC#N)nnn1-c1ccc(C)cc1 ZINC000273317235 263015423 /nfs/dbraw/zinc/01/54/23/263015423.db2.gz YFTUUIXRMFTKKA-ZDUSSCGKSA-N 1 1 283.379 2.839 20 30 CFEDMO C[C@H]1CC[C@](CO)([N@@H+](C)Cc2ccc(OCC#N)cc2)C1 ZINC000275127769 263032705 /nfs/dbraw/zinc/03/27/05/263032705.db2.gz KDXAOZGUCOXFMC-YOEHRIQHSA-N 1 1 288.391 2.572 20 30 CFEDMO CC[C@]1(C)C[N@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000276076554 263034758 /nfs/dbraw/zinc/03/47/58/263034758.db2.gz RTHXOHXVMQXFKN-MRXNPFEDSA-N 1 1 274.364 2.590 20 30 CFEDMO CC[C@]1(C)C[N@@H+](Cc2ccc(OCC#N)cc2)CCO1 ZINC000276076554 263034759 /nfs/dbraw/zinc/03/47/59/263034759.db2.gz RTHXOHXVMQXFKN-MRXNPFEDSA-N 1 1 274.364 2.590 20 30 CFEDMO Cn1cc([C@H]2CC[N@@H+](CCCCC(C)(C)C#N)C2)cn1 ZINC000277639351 263042651 /nfs/dbraw/zinc/04/26/51/263042651.db2.gz HMCAXQRXCNHPKT-AWEZNQCLSA-N 1 1 274.412 2.929 20 30 CFEDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)[C@@H]1CC[C@H](C#N)C1 ZINC000278521745 263048689 /nfs/dbraw/zinc/04/86/89/263048689.db2.gz CPOUYJULJULSBZ-GXTWGEPZSA-N 1 1 272.348 2.929 20 30 CFEDMO Cc1cccc(OCC[N@H+](C)[C@@H]2CC[C@H](C#N)C2)c1 ZINC000278651223 263049287 /nfs/dbraw/zinc/04/92/87/263049287.db2.gz PVGLUXBKPLWVIQ-LSDHHAIUSA-N 1 1 258.365 2.998 20 30 CFEDMO C=CCOc1ccc(C[NH2+][C@H](CN)CC(C)C)cc1 ZINC000414834038 263056752 /nfs/dbraw/zinc/05/67/52/263056752.db2.gz GHDDMDFQXGKMJW-HNNXBMFYSA-N 1 1 262.397 2.714 20 30 CFEDMO CC1(C#N)CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000279828636 263057608 /nfs/dbraw/zinc/05/76/08/263057608.db2.gz NBUYRKUSIAWDBC-UHFFFAOYSA-N 1 1 280.375 2.998 20 30 CFEDMO CC(C)(C#N)CCO[NH+]=C(N)CCc1ccccc1 ZINC000282033742 263073785 /nfs/dbraw/zinc/07/37/85/263073785.db2.gz WUJRUZNKFMUEIG-UHFFFAOYSA-N 1 1 259.353 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20 30 CFEDMO C=CCCCCC[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000369555248 267250710 /nfs/dbraw/zinc/25/07/10/267250710.db2.gz AKVHYGBUYWAGKX-HUUCEWRRSA-N 1 1 253.386 2.613 20 30 CFEDMO CC[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@@]2(CCCOC2)O1 ZINC000369798025 267266224 /nfs/dbraw/zinc/26/62/24/267266224.db2.gz APMUYSKSMARVMG-NVXWUHKLSA-N 1 1 294.439 2.976 20 30 CFEDMO C#CCCOc1ccc(C[N@@H+]2CCOC[C@@H](C)C2)cc1 ZINC000370052651 267287045 /nfs/dbraw/zinc/28/70/45/267287045.db2.gz IUQMQFOIJWDFDH-HNNXBMFYSA-N 1 1 273.376 2.557 20 30 CFEDMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCCCC#N)C1 ZINC000370207488 267299164 /nfs/dbraw/zinc/29/91/64/267299164.db2.gz KLXYQISTKRJHIF-KRWDZBQOSA-N 1 1 271.408 2.887 20 30 CFEDMO C[N@H+](Cc1ccccc1)[C@H]1CCN(CCCCC#N)C1 ZINC000370207488 267299165 /nfs/dbraw/zinc/29/91/65/267299165.db2.gz KLXYQISTKRJHIF-KRWDZBQOSA-N 1 1 271.408 2.887 20 30 CFEDMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCCCC#N)C1 ZINC000370207488 267299168 /nfs/dbraw/zinc/29/91/68/267299168.db2.gz 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267363162 /nfs/dbraw/zinc/36/31/62/267363162.db2.gz KWLVKKJMCBJSHW-UTCJRWHESA-N 1 1 271.320 2.891 20 30 CFEDMO N#CCCCCN1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371209309 267372235 /nfs/dbraw/zinc/37/22/35/267372235.db2.gz UAGMBFQKDUWTOW-MRXNPFEDSA-N 1 1 263.429 2.878 20 30 CFEDMO C=C(C)C[N@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000120121616 267383042 /nfs/dbraw/zinc/38/30/42/267383042.db2.gz WOLYNEWHKFTUNH-GFCCVEGCSA-N 1 1 291.351 2.820 20 30 CFEDMO Cc1c([C@H]2CCC[N@H+]2CCCSCC#N)cnn1C ZINC000371377767 267397786 /nfs/dbraw/zinc/39/77/86/267397786.db2.gz FMWFNOZYTXQEBO-CQSZACIVSA-N 1 1 278.425 2.512 20 30 CFEDMO C=C(C)C[N@@H+](C)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000305815599 268000902 /nfs/dbraw/zinc/00/09/02/268000902.db2.gz OIEHBOVTZTYQBI-SJLPKXTDSA-N 1 1 289.419 2.949 20 30 CFEDMO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000123222466 268016490 /nfs/dbraw/zinc/01/64/90/268016490.db2.gz JHGXXIOVBWHASL-OAHLLOKOSA-N 1 1 289.375 2.636 20 30 CFEDMO 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288.354 2.990 20 30 CFEDMO COC1CC([N@@H+](C)CC#Cc2cccc(Cl)c2)C1 ZINC000352192908 274015913 /nfs/dbraw/zinc/01/59/13/274015913.db2.gz AETVWOCZUBWXHU-UHFFFAOYSA-N 1 1 263.768 2.801 20 30 CFEDMO C[C@@H]1CCC[N@H+](CCN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353413167 274290585 /nfs/dbraw/zinc/29/05/85/274290585.db2.gz OLNTWQJNVZJOSB-RDTXWAMCSA-N 1 1 283.419 2.867 20 30 CFEDMO C[C@@H]1CCC[N@@H+](CCN[C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000353413167 274290586 /nfs/dbraw/zinc/29/05/86/274290586.db2.gz OLNTWQJNVZJOSB-RDTXWAMCSA-N 1 1 283.419 2.867 20 30 CFEDMO C#CCN(C)CCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000295061526 275380423 /nfs/dbraw/zinc/38/04/23/275380423.db2.gz RHDDRQZIVPCROP-LBPRGKRZSA-N 1 1 266.335 2.571 20 30 CFEDMO C#CC[N@H+](C)CCCN[C@@H](C)c1cccc(F)c1F ZINC000295061526 275380422 /nfs/dbraw/zinc/38/04/22/275380422.db2.gz RHDDRQZIVPCROP-LBPRGKRZSA-N 1 1 266.335 2.571 20 30 CFEDMO C=CCCOCC[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000128221078 275423533 /nfs/dbraw/zinc/42/35/33/275423533.db2.gz 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